smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CN1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000276093645 719338695 /nfs/dbraw/zinc/33/86/95/719338695.db2.gz QZQZXPQZICCRCI-UHFFFAOYSA-N 0 3 380.514 0.730 20 0 GCADHN CCNS(=O)(=O)c1cccnc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164684492 719727957 /nfs/dbraw/zinc/72/79/57/719727957.db2.gz HJUWKXOXJOYJCF-UHFFFAOYSA-N 0 3 395.529 0.561 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164689401 719755605 /nfs/dbraw/zinc/75/56/05/719755605.db2.gz FJPMOFPBEOAECC-UHFFFAOYSA-N 0 3 376.486 0.702 20 0 GCADHN c1ncc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCOCC5)ncn4)CCN3C2)cn1 ZINC001164740308 720627628 /nfs/dbraw/zinc/62/76/28/720627628.db2.gz IMNPFGPTAGXJLU-HZPDHXFCSA-N 0 3 383.456 0.445 20 0 GCADHN CCOC(=O)Cc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164742143 720734856 /nfs/dbraw/zinc/73/48/56/720734856.db2.gz NOPFZSUORIVVSL-HZPDHXFCSA-N 0 3 384.440 0.714 20 0 GCADHN CN1CCN(c2nccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164746655 720788883 /nfs/dbraw/zinc/78/88/83/720788883.db2.gz MGAPQWVKNYBJLM-SJORKVTESA-N 0 3 396.499 0.360 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865008 721078045 /nfs/dbraw/zinc/07/80/45/721078045.db2.gz HXPMDMFROUEEJJ-HOTGVXAUSA-N 0 3 389.481 0.604 20 0 GCADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(N)(=O)=O)cn4)C[C@@H]3C2)cn1 ZINC001164769892 721114344 /nfs/dbraw/zinc/11/43/44/721114344.db2.gz PXZMGDZZABZQEU-CABCVRRESA-N 0 3 376.486 0.421 20 0 GCADHN NS(=O)(=O)c1cccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870022 721190350 /nfs/dbraw/zinc/19/03/50/721190350.db2.gz SFTDGOGSJHOOLE-JKSUJKDBSA-N 0 3 389.481 0.604 20 0 GCADHN C(C1CC1)N1C[C@@H]2CN(c3nc4c(c(N5CCOCC5)n3)CNC4)C[C@H](C1)O2 ZINC001164967519 722074828 /nfs/dbraw/zinc/07/48/28/722074828.db2.gz SVCZJLPQNVRQBL-IYBDPMFKSA-N 0 3 386.500 0.216 20 0 GCADHN O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000738098776 945187398 /nfs/dbraw/zinc/18/73/98/945187398.db2.gz CJIUJPRKXXAEFX-CQSZACIVSA-N 0 3 377.424 0.652 20 0 GCADHN O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000738098776 945187401 /nfs/dbraw/zinc/18/74/01/945187401.db2.gz CJIUJPRKXXAEFX-CQSZACIVSA-N 0 3 377.424 0.652 20 0 GCADHN Cn1cc(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)nn1 ZINC001571258409 945352702 /nfs/dbraw/zinc/35/27/02/945352702.db2.gz PZFOHRVRHBUKBT-UHFFFAOYSA-N 0 3 385.407 0.433 20 0 GCADHN Cn1cc(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)nn1 ZINC001571258409 945352712 /nfs/dbraw/zinc/35/27/12/945352712.db2.gz PZFOHRVRHBUKBT-UHFFFAOYSA-N 0 3 385.407 0.433 20 0 GCADHN CC1(C)CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571258636 945361662 /nfs/dbraw/zinc/36/16/62/945361662.db2.gz XZFDALHUMHTTNL-KGLIPLIRSA-N 0 3 385.428 0.302 20 0 GCADHN CC1(C)CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571258636 945361675 /nfs/dbraw/zinc/36/16/75/945361675.db2.gz XZFDALHUMHTTNL-KGLIPLIRSA-N 0 3 385.428 0.302 20 0 GCADHN Cn1nncc1C(=O)N1CCC[C@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001571258659 945362050 /nfs/dbraw/zinc/36/20/50/945362050.db2.gz YQGNVVOFTPZDQP-ZDUSSCGKSA-N 0 3 385.407 0.529 20 0 GCADHN CC1(C)CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571258638 945362365 /nfs/dbraw/zinc/36/23/65/945362365.db2.gz XZFDALHUMHTTNL-ZIAGYGMSSA-N 0 3 385.428 0.302 20 0 GCADHN CC1(C)CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571258638 945362378 /nfs/dbraw/zinc/36/23/78/945362378.db2.gz XZFDALHUMHTTNL-ZIAGYGMSSA-N 0 3 385.428 0.302 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001571264916 945495701 /nfs/dbraw/zinc/49/57/01/945495701.db2.gz AJRYNKDAQPARMR-ZDUSSCGKSA-N 0 3 385.476 0.487 20 0 GCADHN O=C(N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571265092 945499145 /nfs/dbraw/zinc/49/91/45/945499145.db2.gz CBXXGQZKVPWFQY-HZPDHXFCSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571265092 945499149 /nfs/dbraw/zinc/49/91/49/945499149.db2.gz CBXXGQZKVPWFQY-HZPDHXFCSA-N 0 3 385.472 0.940 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C[N@@H+]1C1CC1 ZINC000820657816 945512165 /nfs/dbraw/zinc/51/21/65/945512165.db2.gz MZOPJBLDEDKTCM-UONOGXRCSA-N 0 3 397.487 0.719 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C[N@H+]1C1CC1 ZINC000820657816 945512170 /nfs/dbraw/zinc/51/21/70/945512170.db2.gz MZOPJBLDEDKTCM-UONOGXRCSA-N 0 3 397.487 0.719 20 0 GCADHN CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571265725 945517762 /nfs/dbraw/zinc/51/77/62/945517762.db2.gz JDQPJPIAFIQEPX-HIFRSBDPSA-N 0 3 385.476 0.616 20 0 GCADHN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571265725 945517770 /nfs/dbraw/zinc/51/77/70/945517770.db2.gz JDQPJPIAFIQEPX-HIFRSBDPSA-N 0 3 385.476 0.616 20 0 GCADHN CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571265724 945519433 /nfs/dbraw/zinc/51/94/33/945519433.db2.gz JDQPJPIAFIQEPX-DZGCQCFKSA-N 0 3 385.476 0.616 20 0 GCADHN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571265724 945519439 /nfs/dbraw/zinc/51/94/39/945519439.db2.gz JDQPJPIAFIQEPX-DZGCQCFKSA-N 0 3 385.476 0.616 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265778 945522118 /nfs/dbraw/zinc/52/21/18/945522118.db2.gz JXENXIMMVNVOBT-ZFWWWQNUSA-N 0 3 385.476 0.934 20 0 GCADHN CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265778 945522123 /nfs/dbraw/zinc/52/21/23/945522123.db2.gz JXENXIMMVNVOBT-ZFWWWQNUSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265903 945523881 /nfs/dbraw/zinc/52/38/81/945523881.db2.gz KQVNLVWKTRAQRO-KGLIPLIRSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265903 945523887 /nfs/dbraw/zinc/52/38/87/945523887.db2.gz KQVNLVWKTRAQRO-KGLIPLIRSA-N 0 3 385.476 0.649 20 0 GCADHN CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)[NH+](C)C ZINC001571265947 945526355 /nfs/dbraw/zinc/52/63/55/945526355.db2.gz LONVKYAOCACCGT-ZENOOKHLSA-N 0 3 385.476 0.423 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266217 945534319 /nfs/dbraw/zinc/53/43/19/945534319.db2.gz NVBWAUQVIQEIHL-HIFRSBDPSA-N 0 3 385.476 0.934 20 0 GCADHN CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266217 945534329 /nfs/dbraw/zinc/53/43/29/945534329.db2.gz NVBWAUQVIQEIHL-HIFRSBDPSA-N 0 3 385.476 0.934 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266216 945534599 /nfs/dbraw/zinc/53/45/99/945534599.db2.gz NVBWAUQVIQEIHL-DZGCQCFKSA-N 0 3 385.476 0.934 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266216 945534602 /nfs/dbraw/zinc/53/46/02/945534602.db2.gz NVBWAUQVIQEIHL-DZGCQCFKSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@H]1CC[N@H+](CCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000820723205 945536687 /nfs/dbraw/zinc/53/66/87/945536687.db2.gz XDYRKSKWARIPMG-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN C[C@H]1CC[N@@H+](CCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000820723205 945536694 /nfs/dbraw/zinc/53/66/94/945536694.db2.gz XDYRKSKWARIPMG-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN C[C@H]1CC[N@H+](CCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000820723205 945536709 /nfs/dbraw/zinc/53/67/09/945536709.db2.gz XDYRKSKWARIPMG-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN C[C@H]1CC[N@@H+](CCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000820723205 945536713 /nfs/dbraw/zinc/53/67/13/945536713.db2.gz XDYRKSKWARIPMG-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN CC(C)[C@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001571266715 945550458 /nfs/dbraw/zinc/55/04/58/945550458.db2.gz XWHKNSFCQYOPHH-CZUORRHYSA-N 0 3 385.476 0.790 20 0 GCADHN Cc1nonc1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571267993 945582985 /nfs/dbraw/zinc/58/29/85/945582985.db2.gz KRSOAYQZUCEBCJ-LBPRGKRZSA-N 0 3 386.391 0.949 20 0 GCADHN Cc1nonc1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571267993 945582993 /nfs/dbraw/zinc/58/29/93/945582993.db2.gz KRSOAYQZUCEBCJ-LBPRGKRZSA-N 0 3 386.391 0.949 20 0 GCADHN O=C(N1CC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1)[C@]12C[C@H]1COC2 ZINC001571268729 945604213 /nfs/dbraw/zinc/60/42/13/945604213.db2.gz IXSIAIFQGVQMRI-ODYMNIRHSA-N 0 3 386.431 0.980 20 0 GCADHN O=C(N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@]12C[C@H]1COC2 ZINC001571268729 945604218 /nfs/dbraw/zinc/60/42/18/945604218.db2.gz IXSIAIFQGVQMRI-ODYMNIRHSA-N 0 3 386.431 0.980 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571269492 945621848 /nfs/dbraw/zinc/62/18/48/945621848.db2.gz ZQTOZTFOLCJHSW-RZPFOVIHSA-N 0 3 386.431 0.883 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571269492 945621850 /nfs/dbraw/zinc/62/18/50/945621850.db2.gz ZQTOZTFOLCJHSW-RZPFOVIHSA-N 0 3 386.431 0.883 20 0 GCADHN C[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001571272181 945656809 /nfs/dbraw/zinc/65/68/09/945656809.db2.gz AHMBJACXNHTDES-AWEZNQCLSA-N 0 3 386.460 0.257 20 0 GCADHN C[NH+]1CCC(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001571272181 945656814 /nfs/dbraw/zinc/65/68/14/945656814.db2.gz AHMBJACXNHTDES-AWEZNQCLSA-N 0 3 386.460 0.257 20 0 GCADHN O=C(CNc1ccc(-c2nn[n-]n2)cn1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001571272217 945658627 /nfs/dbraw/zinc/65/86/27/945658627.db2.gz BEVIIXZEXNFGFO-HNNXBMFYSA-N 0 3 386.460 0.433 20 0 GCADHN C[NH+]1CCC(CC(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001571272712 945670155 /nfs/dbraw/zinc/67/01/55/945670155.db2.gz ICNSXWQWFINVRR-ZDUSSCGKSA-N 0 3 386.460 0.257 20 0 GCADHN O=C(N[C@@H]1CCC[N@H+](CCN2CCCC2=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571272892 945673880 /nfs/dbraw/zinc/67/38/80/945673880.db2.gz KHSCYOOLZJDICO-CYBMUJFWSA-N 0 3 386.460 0.402 20 0 GCADHN O=C(N[C@@H]1CCC[N@@H+](CCN2CCCC2=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571272892 945673884 /nfs/dbraw/zinc/67/38/84/945673884.db2.gz KHSCYOOLZJDICO-CYBMUJFWSA-N 0 3 386.460 0.402 20 0 GCADHN C[N@H+](C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCNC1=O ZINC001571272941 945675003 /nfs/dbraw/zinc/67/50/03/945675003.db2.gz LIZGMZUWMBNZIY-IUODEOHRSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCNC1=O ZINC001571272941 945675008 /nfs/dbraw/zinc/67/50/08/945675008.db2.gz LIZGMZUWMBNZIY-IUODEOHRSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+](C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCNC1=O ZINC001571272942 945675115 /nfs/dbraw/zinc/67/51/15/945675115.db2.gz LIZGMZUWMBNZIY-SWLSCSKDSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCNC1=O ZINC001571272942 945675122 /nfs/dbraw/zinc/67/51/22/945675122.db2.gz LIZGMZUWMBNZIY-SWLSCSKDSA-N 0 3 386.460 0.257 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821351471 945678795 /nfs/dbraw/zinc/67/87/95/945678795.db2.gz QVNDKNMEYQUHCC-CQSZACIVSA-N 0 3 375.433 0.278 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821351471 945678798 /nfs/dbraw/zinc/67/87/98/945678798.db2.gz QVNDKNMEYQUHCC-CQSZACIVSA-N 0 3 375.433 0.278 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821352235 945680115 /nfs/dbraw/zinc/68/01/15/945680115.db2.gz ZUMLPEDMWVDHOJ-LBPRGKRZSA-N 0 3 393.423 0.417 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821352235 945680120 /nfs/dbraw/zinc/68/01/20/945680120.db2.gz ZUMLPEDMWVDHOJ-LBPRGKRZSA-N 0 3 393.423 0.417 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C[NH2+][C@H]1CCCN(C)C1=O ZINC001571273080 945680497 /nfs/dbraw/zinc/68/04/97/945680497.db2.gz OPKYWWXFUQPYSM-BZPMIXESSA-N 0 3 386.460 0.113 20 0 GCADHN CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273275 945683363 /nfs/dbraw/zinc/68/33/63/945683363.db2.gz UNUONWAKDOOZNP-CHWSQXEVSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273275 945683365 /nfs/dbraw/zinc/68/33/65/945683365.db2.gz UNUONWAKDOOZNP-CHWSQXEVSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273275 945683373 /nfs/dbraw/zinc/68/33/73/945683373.db2.gz UNUONWAKDOOZNP-CHWSQXEVSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273275 945683378 /nfs/dbraw/zinc/68/33/78/945683378.db2.gz UNUONWAKDOOZNP-CHWSQXEVSA-N 0 3 386.460 0.210 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@@H](CC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001571273427 945688469 /nfs/dbraw/zinc/68/84/69/945688469.db2.gz XLHZGWBIHUZIQX-GXTWGEPZSA-N 0 3 386.460 0.305 20 0 GCADHN CCN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571276138 945724916 /nfs/dbraw/zinc/72/49/16/945724916.db2.gz HXGUGIWRDFIAGX-CJNGLKHVSA-N 0 3 386.460 0.020 20 0 GCADHN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001571276148 945725101 /nfs/dbraw/zinc/72/51/01/945725101.db2.gz IABAMCSLSJNHMG-QGZVFWFLSA-N 0 3 386.456 0.705 20 0 GCADHN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001571276148 945725112 /nfs/dbraw/zinc/72/51/12/945725112.db2.gz IABAMCSLSJNHMG-QGZVFWFLSA-N 0 3 386.456 0.705 20 0 GCADHN C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001571276148 945725119 /nfs/dbraw/zinc/72/51/19/945725119.db2.gz IABAMCSLSJNHMG-QGZVFWFLSA-N 0 3 386.456 0.705 20 0 GCADHN C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001571276148 945725124 /nfs/dbraw/zinc/72/51/24/945725124.db2.gz IABAMCSLSJNHMG-QGZVFWFLSA-N 0 3 386.456 0.705 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571276323 945730558 /nfs/dbraw/zinc/73/05/58/945730558.db2.gz HNXYBAMLZYAXPR-MJBXVCDLSA-N 0 3 387.419 0.208 20 0 GCADHN O=C(C[C@H]1CCCO1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571276630 945734642 /nfs/dbraw/zinc/73/46/42/945734642.db2.gz JWLRXXDSUUTXKQ-HZPDHXFCSA-N 0 3 386.456 0.753 20 0 GCADHN O=C(C[C@H]1CCCO1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571276630 945734647 /nfs/dbraw/zinc/73/46/47/945734647.db2.gz JWLRXXDSUUTXKQ-HZPDHXFCSA-N 0 3 386.456 0.753 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571277044 945738173 /nfs/dbraw/zinc/73/81/73/945738173.db2.gz NQFQLOVQBJMXEJ-TUUUFIMRSA-N 0 3 387.419 0.112 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571277044 945738186 /nfs/dbraw/zinc/73/81/86/945738186.db2.gz NQFQLOVQBJMXEJ-TUUUFIMRSA-N 0 3 387.419 0.112 20 0 GCADHN O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)[C@H]1CCC(=O)N1 ZINC001571277042 945738885 /nfs/dbraw/zinc/73/88/85/945738885.db2.gz NLMLBFOAIZECQQ-LALPHHSUSA-N 0 3 387.419 0.269 20 0 GCADHN O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)[C@H]1CCC(=O)N1 ZINC001571277042 945738893 /nfs/dbraw/zinc/73/88/93/945738893.db2.gz NLMLBFOAIZECQQ-LALPHHSUSA-N 0 3 387.419 0.269 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571277644 945745011 /nfs/dbraw/zinc/74/50/11/945745011.db2.gz MRWAMVLLDPRNCI-IRXDYDNUSA-N 0 3 386.456 0.753 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571277644 945745017 /nfs/dbraw/zinc/74/50/17/945745017.db2.gz MRWAMVLLDPRNCI-IRXDYDNUSA-N 0 3 386.456 0.753 20 0 GCADHN O=C(NCC1CC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001571278103 945748614 /nfs/dbraw/zinc/74/86/14/945748614.db2.gz VWLIYQRUPPJICJ-QOZQQMKHSA-N 0 3 387.419 0.269 20 0 GCADHN O=C(NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001571278103 945748621 /nfs/dbraw/zinc/74/86/21/945748621.db2.gz VWLIYQRUPPJICJ-QOZQQMKHSA-N 0 3 387.419 0.269 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571278432 945753259 /nfs/dbraw/zinc/75/32/59/945753259.db2.gz ZURQSMFOOUOEPV-CHWSQXEVSA-N 0 3 387.419 0.365 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571278432 945753269 /nfs/dbraw/zinc/75/32/69/945753269.db2.gz ZURQSMFOOUOEPV-CHWSQXEVSA-N 0 3 387.419 0.365 20 0 GCADHN O=C(C[C@@H]1CCOC1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571278526 945756739 /nfs/dbraw/zinc/75/67/39/945756739.db2.gz OZHFVDCKHGJQKU-RDJZCZTQSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@@]1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001571278678 945758020 /nfs/dbraw/zinc/75/80/20/945758020.db2.gz QQHLRQVGHGYQDX-KPZWWZAWSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@]1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001571278678 945758026 /nfs/dbraw/zinc/75/80/26/945758026.db2.gz QQHLRQVGHGYQDX-KPZWWZAWSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@]1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001571278678 945758029 /nfs/dbraw/zinc/75/80/29/945758029.db2.gz QQHLRQVGHGYQDX-KPZWWZAWSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@]1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001571278678 945758034 /nfs/dbraw/zinc/75/80/34/945758034.db2.gz QQHLRQVGHGYQDX-KPZWWZAWSA-N 0 3 386.460 0.305 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571278959 945765167 /nfs/dbraw/zinc/76/51/67/945765167.db2.gz SQKYYTWXHHXDEN-IRXDYDNUSA-N 0 3 386.456 0.753 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571278959 945765172 /nfs/dbraw/zinc/76/51/72/945765172.db2.gz SQKYYTWXHHXDEN-IRXDYDNUSA-N 0 3 386.456 0.753 20 0 GCADHN CC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001571278910 945765882 /nfs/dbraw/zinc/76/58/82/945765882.db2.gz RCGVISRVKLKPLK-INIZCTEOSA-N 0 3 386.456 0.753 20 0 GCADHN CC1([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001571278910 945765886 /nfs/dbraw/zinc/76/58/86/945765886.db2.gz RCGVISRVKLKPLK-INIZCTEOSA-N 0 3 386.456 0.753 20 0 GCADHN CC(C)N1CC[C@H]([NH2+]CC2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC001571279363 945775332 /nfs/dbraw/zinc/77/53/32/945775332.db2.gz VSUXLSIBQFCWMP-UBHUBRDASA-N 0 3 386.460 0.302 20 0 GCADHN CC(C)N1CC[C@H]([NH2+]CC2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC001571279363 945775333 /nfs/dbraw/zinc/77/53/33/945775333.db2.gz VSUXLSIBQFCWMP-UBHUBRDASA-N 0 3 386.460 0.302 20 0 GCADHN CC(C)N1CC[C@@H]([NH2+]CC2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC001571279364 945776133 /nfs/dbraw/zinc/77/61/33/945776133.db2.gz VSUXLSIBQFCWMP-UXUKBGGZSA-N 0 3 386.460 0.302 20 0 GCADHN CC(C)N1CC[C@@H]([NH2+]CC2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC001571279364 945776146 /nfs/dbraw/zinc/77/61/46/945776146.db2.gz VSUXLSIBQFCWMP-UXUKBGGZSA-N 0 3 386.460 0.302 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC(OC)C3)C2)cc1-c1nnn[n-]1 ZINC001571279650 945783606 /nfs/dbraw/zinc/78/36/06/945783606.db2.gz XMOTXFOIWKFILD-SLTAFYQDSA-N 0 3 386.456 0.991 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC(OC)C3)C2)cc1-c1nn[n-]n1 ZINC001571279650 945783611 /nfs/dbraw/zinc/78/36/11/945783611.db2.gz XMOTXFOIWKFILD-SLTAFYQDSA-N 0 3 386.456 0.991 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573447480 945800562 /nfs/dbraw/zinc/80/05/62/945800562.db2.gz ZEJZDEOSKVDZLA-NVXWUHKLSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573447480 945800575 /nfs/dbraw/zinc/80/05/75/945800575.db2.gz ZEJZDEOSKVDZLA-NVXWUHKLSA-N 0 3 383.456 0.568 20 0 GCADHN O=C(Cc1nnc[nH]1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281701 945808730 /nfs/dbraw/zinc/80/87/30/945808730.db2.gz MCMGDCUQTBNQLD-NSHDSACASA-N 0 3 387.473 0.617 20 0 GCADHN CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571282299 945837648 /nfs/dbraw/zinc/83/76/48/945837648.db2.gz GKROPOPGANBPCU-ZDUSSCGKSA-N 0 3 387.463 0.990 20 0 GCADHN CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571282299 945837656 /nfs/dbraw/zinc/83/76/56/945837656.db2.gz GKROPOPGANBPCU-ZDUSSCGKSA-N 0 3 387.463 0.990 20 0 GCADHN CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571282298 945838954 /nfs/dbraw/zinc/83/89/54/945838954.db2.gz GKROPOPGANBPCU-CYBMUJFWSA-N 0 3 387.463 0.990 20 0 GCADHN CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571282298 945838964 /nfs/dbraw/zinc/83/89/64/945838964.db2.gz GKROPOPGANBPCU-CYBMUJFWSA-N 0 3 387.463 0.990 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC001571282802 945860859 /nfs/dbraw/zinc/86/08/59/945860859.db2.gz RLPLAIWEARGADB-AWEZNQCLSA-N 0 3 387.463 0.992 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC001571282802 945860871 /nfs/dbraw/zinc/86/08/71/945860871.db2.gz RLPLAIWEARGADB-AWEZNQCLSA-N 0 3 387.463 0.992 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573455673 945884519 /nfs/dbraw/zinc/88/45/19/945884519.db2.gz GHNZHXMLAKJRRP-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573455673 945884528 /nfs/dbraw/zinc/88/45/28/945884528.db2.gz GHNZHXMLAKJRRP-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573455837 945884767 /nfs/dbraw/zinc/88/47/67/945884767.db2.gz GZWQYRXRFUFDGW-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573455837 945884775 /nfs/dbraw/zinc/88/47/75/945884775.db2.gz GZWQYRXRFUFDGW-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573456580 945894965 /nfs/dbraw/zinc/89/49/65/945894965.db2.gz MGRAJMCWICFXTB-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573456580 945894976 /nfs/dbraw/zinc/89/49/76/945894976.db2.gz MGRAJMCWICFXTB-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CCc1nc(N[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571284194 945896352 /nfs/dbraw/zinc/89/63/52/945896352.db2.gz MNASTFYIIOIWKM-MLGOLLRUSA-N 0 3 387.492 0.818 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573456817 945896462 /nfs/dbraw/zinc/89/64/62/945896462.db2.gz PIHCOAVJKWCVMZ-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573456817 945896474 /nfs/dbraw/zinc/89/64/74/945896474.db2.gz PIHCOAVJKWCVMZ-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573457199 945903436 /nfs/dbraw/zinc/90/34/36/945903436.db2.gz SUEZUHRKFQQAPD-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573457199 945903446 /nfs/dbraw/zinc/90/34/46/945903446.db2.gz SUEZUHRKFQQAPD-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573458969 945909893 /nfs/dbraw/zinc/90/98/93/945909893.db2.gz BKGONNGNBIEWHC-ZDUSSCGKSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573458969 945909895 /nfs/dbraw/zinc/90/98/95/945909895.db2.gz BKGONNGNBIEWHC-ZDUSSCGKSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571285711 945925400 /nfs/dbraw/zinc/92/54/00/945925400.db2.gz MDPWOKZDASIKAS-NHYWBVRUSA-N 0 3 388.403 0.831 20 0 GCADHN C[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571285711 945925411 /nfs/dbraw/zinc/92/54/11/945925411.db2.gz MDPWOKZDASIKAS-NHYWBVRUSA-N 0 3 388.403 0.831 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285916 945930576 /nfs/dbraw/zinc/93/05/76/945930576.db2.gz RFQSUVOSNMJFQI-AUZPSNTRSA-N 0 3 388.403 0.552 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571285916 945930580 /nfs/dbraw/zinc/93/05/80/945930580.db2.gz RFQSUVOSNMJFQI-AUZPSNTRSA-N 0 3 388.403 0.552 20 0 GCADHN COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285918 945933050 /nfs/dbraw/zinc/93/30/50/945933050.db2.gz RFQSUVOSNMJFQI-IMIFBBOLSA-N 0 3 388.403 0.552 20 0 GCADHN COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571285918 945933058 /nfs/dbraw/zinc/93/30/58/945933058.db2.gz RFQSUVOSNMJFQI-IMIFBBOLSA-N 0 3 388.403 0.552 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC001573462875 945947445 /nfs/dbraw/zinc/94/74/45/945947445.db2.gz NTLAJJFYFXENKC-UHFFFAOYSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC001573462875 945947457 /nfs/dbraw/zinc/94/74/57/945947457.db2.gz NTLAJJFYFXENKC-UHFFFAOYSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573463797 945960861 /nfs/dbraw/zinc/96/08/61/945960861.db2.gz BQCVOOMDQVZJBV-NSHDSACASA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573463797 945960868 /nfs/dbraw/zinc/96/08/68/945960868.db2.gz BQCVOOMDQVZJBV-NSHDSACASA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573463795 945961130 /nfs/dbraw/zinc/96/11/30/945961130.db2.gz BQCVOOMDQVZJBV-LLVKDONJSA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573463795 945961136 /nfs/dbraw/zinc/96/11/36/945961136.db2.gz BQCVOOMDQVZJBV-LLVKDONJSA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573463826 945961462 /nfs/dbraw/zinc/96/14/62/945961462.db2.gz BXAAWMVENPRQKS-FZNQNYSPSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573463826 945961472 /nfs/dbraw/zinc/96/14/72/945961472.db2.gz BXAAWMVENPRQKS-FZNQNYSPSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573464155 945963400 /nfs/dbraw/zinc/96/34/00/945963400.db2.gz GQGCOWMJNNYSMQ-NSHDSACASA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467430 945982479 /nfs/dbraw/zinc/98/24/79/945982479.db2.gz DRHNLFJKHTXSPS-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467430 945982485 /nfs/dbraw/zinc/98/24/85/945982485.db2.gz DRHNLFJKHTXSPS-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573468199 945990989 /nfs/dbraw/zinc/99/09/89/945990989.db2.gz LOHCZKOKEPIRPG-GFCCVEGCSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573468199 945990994 /nfs/dbraw/zinc/99/09/94/945990994.db2.gz LOHCZKOKEPIRPG-GFCCVEGCSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573468199 945991007 /nfs/dbraw/zinc/99/10/07/945991007.db2.gz LOHCZKOKEPIRPG-GFCCVEGCSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573468199 945991012 /nfs/dbraw/zinc/99/10/12/945991012.db2.gz LOHCZKOKEPIRPG-GFCCVEGCSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573468201 945991817 /nfs/dbraw/zinc/99/18/17/945991817.db2.gz LOHCZKOKEPIRPG-LBPRGKRZSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573468201 945991828 /nfs/dbraw/zinc/99/18/28/945991828.db2.gz LOHCZKOKEPIRPG-LBPRGKRZSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573468201 945991839 /nfs/dbraw/zinc/99/18/39/945991839.db2.gz LOHCZKOKEPIRPG-LBPRGKRZSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573468201 945991846 /nfs/dbraw/zinc/99/18/46/945991846.db2.gz LOHCZKOKEPIRPG-LBPRGKRZSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573468350 945993635 /nfs/dbraw/zinc/99/36/35/945993635.db2.gz MZDBVKZSNHEHTG-ISAOAKOHSA-N 0 3 389.435 0.609 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573468350 945993642 /nfs/dbraw/zinc/99/36/42/945993642.db2.gz MZDBVKZSNHEHTG-ISAOAKOHSA-N 0 3 389.435 0.609 20 0 GCADHN CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571289450 946007145 /nfs/dbraw/zinc/00/71/45/946007145.db2.gz DYEWMODGQMFLFJ-IAOVAPTHSA-N 0 3 388.472 0.855 20 0 GCADHN CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571289450 946007161 /nfs/dbraw/zinc/00/71/61/946007161.db2.gz DYEWMODGQMFLFJ-IAOVAPTHSA-N 0 3 388.472 0.855 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573470089 946017667 /nfs/dbraw/zinc/01/76/67/946017667.db2.gz BBFVZJOPKKUMNU-BBRMVZONSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573470089 946017675 /nfs/dbraw/zinc/01/76/75/946017675.db2.gz BBFVZJOPKKUMNU-BBRMVZONSA-N 0 3 385.472 0.862 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571290066 946028475 /nfs/dbraw/zinc/02/84/75/946028475.db2.gz UMKMQRMMHDPKFJ-STQMWFEESA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571290066 946028484 /nfs/dbraw/zinc/02/84/84/946028484.db2.gz UMKMQRMMHDPKFJ-STQMWFEESA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571290066 946028489 /nfs/dbraw/zinc/02/84/89/946028489.db2.gz UMKMQRMMHDPKFJ-STQMWFEESA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571290066 946028504 /nfs/dbraw/zinc/02/85/04/946028504.db2.gz UMKMQRMMHDPKFJ-STQMWFEESA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571290063 946029388 /nfs/dbraw/zinc/02/93/88/946029388.db2.gz UMKMQRMMHDPKFJ-CHWSQXEVSA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571290063 946029402 /nfs/dbraw/zinc/02/94/02/946029402.db2.gz UMKMQRMMHDPKFJ-CHWSQXEVSA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571290063 946029415 /nfs/dbraw/zinc/02/94/15/946029415.db2.gz UMKMQRMMHDPKFJ-CHWSQXEVSA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571290063 946029426 /nfs/dbraw/zinc/02/94/26/946029426.db2.gz UMKMQRMMHDPKFJ-CHWSQXEVSA-N 0 3 388.451 0.637 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573471400 946048502 /nfs/dbraw/zinc/04/85/02/946048502.db2.gz ORUFWLKZIMYMDD-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573471400 946048515 /nfs/dbraw/zinc/04/85/15/946048515.db2.gz ORUFWLKZIMYMDD-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573472634 946067296 /nfs/dbraw/zinc/06/72/96/946067296.db2.gz WSHCIGILTMRWLM-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573472634 946067307 /nfs/dbraw/zinc/06/73/07/946067307.db2.gz WSHCIGILTMRWLM-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573472944 946069944 /nfs/dbraw/zinc/06/99/44/946069944.db2.gz YCWMGSFBJMDPJW-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573472930 946071574 /nfs/dbraw/zinc/07/15/74/946071574.db2.gz XWUQEUBRTWAPCX-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573472930 946071584 /nfs/dbraw/zinc/07/15/84/946071584.db2.gz XWUQEUBRTWAPCX-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573473131 946075245 /nfs/dbraw/zinc/07/52/45/946075245.db2.gz ZHVJPJBVRYHUDU-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573473131 946075258 /nfs/dbraw/zinc/07/52/58/946075258.db2.gz ZHVJPJBVRYHUDU-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573473860 946082478 /nfs/dbraw/zinc/08/24/78/946082478.db2.gz GBRHUEIQENLKEU-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573473860 946082493 /nfs/dbraw/zinc/08/24/93/946082493.db2.gz GBRHUEIQENLKEU-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573475802 946108150 /nfs/dbraw/zinc/10/81/50/946108150.db2.gz AZOGNMPKUYMFFU-CJNGLKHVSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573475802 946108159 /nfs/dbraw/zinc/10/81/59/946108159.db2.gz AZOGNMPKUYMFFU-CJNGLKHVSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573475802 946108166 /nfs/dbraw/zinc/10/81/66/946108166.db2.gz AZOGNMPKUYMFFU-CJNGLKHVSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573475802 946108178 /nfs/dbraw/zinc/10/81/78/946108178.db2.gz AZOGNMPKUYMFFU-CJNGLKHVSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573476393 946118332 /nfs/dbraw/zinc/11/83/32/946118332.db2.gz GHSZQFQGXXSDNN-CKQAKLJMSA-N 0 3 389.435 0.515 20 0 GCADHN COCC[NH+]1CCC2(CO[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001571293937 946119808 /nfs/dbraw/zinc/11/98/08/946119808.db2.gz WOTURZPKIKMOMF-AWEZNQCLSA-N 0 3 389.460 0.442 20 0 GCADHN COCC[NH+]1CCC2(CO[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001571293937 946119813 /nfs/dbraw/zinc/11/98/13/946119813.db2.gz WOTURZPKIKMOMF-AWEZNQCLSA-N 0 3 389.460 0.442 20 0 GCADHN Cc1sc(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)c(-c2nnn[n-]2)c1C ZINC000822558050 946126888 /nfs/dbraw/zinc/12/68/88/946126888.db2.gz LQWRYAAGOSDNGQ-LBPRGKRZSA-N 0 3 379.490 0.746 20 0 GCADHN Cc1sc(NC(=O)CN2CCO[C@@H](C[NH+](C)C)C2)c(-c2nn[n-]n2)c1C ZINC000822558050 946126891 /nfs/dbraw/zinc/12/68/91/946126891.db2.gz LQWRYAAGOSDNGQ-LBPRGKRZSA-N 0 3 379.490 0.746 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573478609 946149690 /nfs/dbraw/zinc/14/96/90/946149690.db2.gz XRKQKUHSSILEHN-QLJPJBMISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573479178 946153821 /nfs/dbraw/zinc/15/38/21/946153821.db2.gz AEJSALCYEVNBGO-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573479178 946153823 /nfs/dbraw/zinc/15/38/23/946153823.db2.gz AEJSALCYEVNBGO-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573479279 946156704 /nfs/dbraw/zinc/15/67/04/946156704.db2.gz BTAQTYASEITMLC-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573479279 946156707 /nfs/dbraw/zinc/15/67/07/946156707.db2.gz BTAQTYASEITMLC-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001573479279 946156709 /nfs/dbraw/zinc/15/67/09/946156709.db2.gz BTAQTYASEITMLC-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001573479279 946156713 /nfs/dbraw/zinc/15/67/13/946156713.db2.gz BTAQTYASEITMLC-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573479614 946165433 /nfs/dbraw/zinc/16/54/33/946165433.db2.gz GDACJFGIXKGRNA-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479815 946167567 /nfs/dbraw/zinc/16/75/67/946167567.db2.gz HRFJNHOFXSHVOW-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479815 946167572 /nfs/dbraw/zinc/16/75/72/946167572.db2.gz HRFJNHOFXSHVOW-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479815 946167580 /nfs/dbraw/zinc/16/75/80/946167580.db2.gz HRFJNHOFXSHVOW-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479815 946167584 /nfs/dbraw/zinc/16/75/84/946167584.db2.gz HRFJNHOFXSHVOW-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN O=C([C@H]1COCCO1)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571295745 946174392 /nfs/dbraw/zinc/17/43/92/946174392.db2.gz DWDHOWZOGBYKNS-XJKSGUPXSA-N 0 3 390.419 0.502 20 0 GCADHN O=C([C@H]1COCCO1)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571295745 946174399 /nfs/dbraw/zinc/17/43/99/946174399.db2.gz DWDHOWZOGBYKNS-XJKSGUPXSA-N 0 3 390.419 0.502 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573481391 946181531 /nfs/dbraw/zinc/18/15/31/946181531.db2.gz OYZJNAOQMLBWSD-FNBIGBAISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573481391 946181538 /nfs/dbraw/zinc/18/15/38/946181538.db2.gz OYZJNAOQMLBWSD-FNBIGBAISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573481704 946186530 /nfs/dbraw/zinc/18/65/30/946186530.db2.gz RBSBBDJOYRXEIJ-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001573481704 946186536 /nfs/dbraw/zinc/18/65/36/946186536.db2.gz RBSBBDJOYRXEIJ-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@H]1COCCO1 ZINC001571296259 946189506 /nfs/dbraw/zinc/18/95/06/946189506.db2.gz RYLHJJKCWFZWRT-XJKCOSOUSA-N 0 3 390.419 0.406 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@H]1COCCO1 ZINC001571296259 946189513 /nfs/dbraw/zinc/18/95/13/946189513.db2.gz RYLHJJKCWFZWRT-XJKCOSOUSA-N 0 3 390.419 0.406 20 0 GCADHN O=C([C@H]1COCCO1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571296252 946190200 /nfs/dbraw/zinc/19/02/00/946190200.db2.gz RVQFZWBQPOHSGI-XJKSGUPXSA-N 0 3 390.419 0.502 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1COCCO1 ZINC001571296258 946190271 /nfs/dbraw/zinc/19/02/71/946190271.db2.gz RYLHJJKCWFZWRT-XEZPLFJOSA-N 0 3 390.419 0.406 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@@H]1COCCO1 ZINC001571296258 946190278 /nfs/dbraw/zinc/19/02/78/946190278.db2.gz RYLHJJKCWFZWRT-XEZPLFJOSA-N 0 3 390.419 0.406 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001571296368 946190983 /nfs/dbraw/zinc/19/09/83/946190983.db2.gz VXVUTTXAGHDKQO-INIZCTEOSA-N 0 3 390.419 0.502 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571296368 946190986 /nfs/dbraw/zinc/19/09/86/946190986.db2.gz VXVUTTXAGHDKQO-INIZCTEOSA-N 0 3 390.419 0.502 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573482222 946191908 /nfs/dbraw/zinc/19/19/08/946191908.db2.gz VIVHMOHKGNGTGD-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573482222 946191917 /nfs/dbraw/zinc/19/19/17/946191917.db2.gz VIVHMOHKGNGTGD-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573482221 946192501 /nfs/dbraw/zinc/19/25/01/946192501.db2.gz VIVHMOHKGNGTGD-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573482221 946192507 /nfs/dbraw/zinc/19/25/07/946192507.db2.gz VIVHMOHKGNGTGD-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573482265 946193948 /nfs/dbraw/zinc/19/39/48/946193948.db2.gz VVPJSWSOGAEKFN-QFYYESIMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573482646 946201576 /nfs/dbraw/zinc/20/15/76/946201576.db2.gz ZKKLODIPDANTLR-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573482646 946201585 /nfs/dbraw/zinc/20/15/85/946201585.db2.gz ZKKLODIPDANTLR-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN O=C([C@H]1CCCS1(=O)=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571298227 946210304 /nfs/dbraw/zinc/21/03/04/946210304.db2.gz KKQRUOOBDLIGNH-UKRRQHHQSA-N 0 3 390.469 0.134 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573483731 946211254 /nfs/dbraw/zinc/21/12/54/946211254.db2.gz HPQVRUUQQGPGNU-LLVKDONJSA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573483731 946211262 /nfs/dbraw/zinc/21/12/62/946211262.db2.gz HPQVRUUQQGPGNU-LLVKDONJSA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573483733 946212261 /nfs/dbraw/zinc/21/22/61/946212261.db2.gz HPQVRUUQQGPGNU-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573483733 946212272 /nfs/dbraw/zinc/21/22/72/946212272.db2.gz HPQVRUUQQGPGNU-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573486963 946244909 /nfs/dbraw/zinc/24/49/09/946244909.db2.gz JQFMUDABHKHEBF-CSMYWGQOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573486963 946244916 /nfs/dbraw/zinc/24/49/16/946244916.db2.gz JQFMUDABHKHEBF-CSMYWGQOSA-N 0 3 385.472 0.908 20 0 GCADHN Cc1nsc(N2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001571300113 946271834 /nfs/dbraw/zinc/27/18/34/946271834.db2.gz VELWYYHHLKWVOZ-RAIGVLPGSA-N 0 3 390.517 0.772 20 0 GCADHN Cc1nsc(N2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001571300113 946271837 /nfs/dbraw/zinc/27/18/37/946271837.db2.gz VELWYYHHLKWVOZ-RAIGVLPGSA-N 0 3 390.517 0.772 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571300088 946272937 /nfs/dbraw/zinc/27/29/37/946272937.db2.gz UNXHHRXMCSNFQM-AAEUAGOBSA-N 0 3 390.879 0.952 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571300088 946272947 /nfs/dbraw/zinc/27/29/47/946272947.db2.gz UNXHHRXMCSNFQM-AAEUAGOBSA-N 0 3 390.879 0.952 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571300088 946272952 /nfs/dbraw/zinc/27/29/52/946272952.db2.gz UNXHHRXMCSNFQM-AAEUAGOBSA-N 0 3 390.879 0.952 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571300088 946272958 /nfs/dbraw/zinc/27/29/58/946272958.db2.gz UNXHHRXMCSNFQM-AAEUAGOBSA-N 0 3 390.879 0.952 20 0 GCADHN CC(=O)NC1(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573488863 946280035 /nfs/dbraw/zinc/28/00/35/946280035.db2.gz OKXOESFRXWIGKK-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573488863 946280046 /nfs/dbraw/zinc/28/00/46/946280046.db2.gz OKXOESFRXWIGKK-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823171056 946335769 /nfs/dbraw/zinc/33/57/69/946335769.db2.gz NKJDDNYSNOIFIQ-IBGZPJMESA-N 0 3 379.424 0.629 20 0 GCADHN O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823171056 946335780 /nfs/dbraw/zinc/33/57/80/946335780.db2.gz NKJDDNYSNOIFIQ-IBGZPJMESA-N 0 3 379.424 0.629 20 0 GCADHN O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823171056 946335790 /nfs/dbraw/zinc/33/57/90/946335790.db2.gz NKJDDNYSNOIFIQ-IBGZPJMESA-N 0 3 379.424 0.629 20 0 GCADHN O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823171056 946335797 /nfs/dbraw/zinc/33/57/97/946335797.db2.gz NKJDDNYSNOIFIQ-IBGZPJMESA-N 0 3 379.424 0.629 20 0 GCADHN O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823171057 946335831 /nfs/dbraw/zinc/33/58/31/946335831.db2.gz NKJDDNYSNOIFIQ-LJQANCHMSA-N 0 3 379.424 0.629 20 0 GCADHN O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823171057 946335843 /nfs/dbraw/zinc/33/58/43/946335843.db2.gz NKJDDNYSNOIFIQ-LJQANCHMSA-N 0 3 379.424 0.629 20 0 GCADHN O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823171057 946335856 /nfs/dbraw/zinc/33/58/56/946335856.db2.gz NKJDDNYSNOIFIQ-LJQANCHMSA-N 0 3 379.424 0.629 20 0 GCADHN O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823171057 946335871 /nfs/dbraw/zinc/33/58/71/946335871.db2.gz NKJDDNYSNOIFIQ-LJQANCHMSA-N 0 3 379.424 0.629 20 0 GCADHN CC(=O)NCC(=O)N1CC2(C1)CC[NH+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573499986 946371757 /nfs/dbraw/zinc/37/17/57/946371757.db2.gz HVSWTHZPWSHMMX-UHFFFAOYSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC2(C1)CC[NH+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573499986 946371771 /nfs/dbraw/zinc/37/17/71/946371771.db2.gz HVSWTHZPWSHMMX-UHFFFAOYSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC001573500377 946371899 /nfs/dbraw/zinc/37/18/99/946371899.db2.gz IMOXQAPKUVSKOL-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001573500376 946372573 /nfs/dbraw/zinc/37/25/73/946372573.db2.gz IMOXQAPKUVSKOL-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC001573500378 946373043 /nfs/dbraw/zinc/37/30/43/946373043.db2.gz IMOXQAPKUVSKOL-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571305826 946375877 /nfs/dbraw/zinc/37/58/77/946375877.db2.gz KZMGCPXTLHUMIC-STQMWFEESA-N 0 3 391.501 0.197 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571305826 946375885 /nfs/dbraw/zinc/37/58/85/946375885.db2.gz KZMGCPXTLHUMIC-STQMWFEESA-N 0 3 391.501 0.197 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573502426 946385765 /nfs/dbraw/zinc/38/57/65/946385765.db2.gz VMPFCEIMGFONJE-RISCZKNCSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573502426 946385773 /nfs/dbraw/zinc/38/57/73/946385773.db2.gz VMPFCEIMGFONJE-RISCZKNCSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573503619 946393102 /nfs/dbraw/zinc/39/31/02/946393102.db2.gz AQMYAPMAXFFNLT-DOTOQJQBSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573503619 946393112 /nfs/dbraw/zinc/39/31/12/946393112.db2.gz AQMYAPMAXFFNLT-DOTOQJQBSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573503619 946393119 /nfs/dbraw/zinc/39/31/19/946393119.db2.gz AQMYAPMAXFFNLT-DOTOQJQBSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573503619 946393130 /nfs/dbraw/zinc/39/31/30/946393130.db2.gz AQMYAPMAXFFNLT-DOTOQJQBSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C)([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573504216 946408560 /nfs/dbraw/zinc/40/85/60/946408560.db2.gz HKIJBJXQPNYSKZ-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C)([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573504216 946408564 /nfs/dbraw/zinc/40/85/64/946408564.db2.gz HKIJBJXQPNYSKZ-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573504814 946415283 /nfs/dbraw/zinc/41/52/83/946415283.db2.gz KPULYGGKFGZTAE-SUMWQHHRSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573504814 946415288 /nfs/dbraw/zinc/41/52/88/946415288.db2.gz KPULYGGKFGZTAE-SUMWQHHRSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1C ZINC001573505277 946419760 /nfs/dbraw/zinc/41/97/60/946419760.db2.gz LUKSDMGDNSAJSQ-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1C ZINC001573505277 946419767 /nfs/dbraw/zinc/41/97/67/946419767.db2.gz LUKSDMGDNSAJSQ-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505658 946423208 /nfs/dbraw/zinc/42/32/08/946423208.db2.gz MQEPIYCHNXYYER-IAGOWNOFSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505658 946423216 /nfs/dbraw/zinc/42/32/16/946423216.db2.gz MQEPIYCHNXYYER-IAGOWNOFSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505658 946423223 /nfs/dbraw/zinc/42/32/23/946423223.db2.gz MQEPIYCHNXYYER-IAGOWNOFSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505658 946423232 /nfs/dbraw/zinc/42/32/32/946423232.db2.gz MQEPIYCHNXYYER-IAGOWNOFSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573506024 946428160 /nfs/dbraw/zinc/42/81/60/946428160.db2.gz NWFKAMQHBBQDQO-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573506024 946428165 /nfs/dbraw/zinc/42/81/65/946428165.db2.gz NWFKAMQHBBQDQO-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573506024 946428167 /nfs/dbraw/zinc/42/81/67/946428167.db2.gz NWFKAMQHBBQDQO-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573506024 946428172 /nfs/dbraw/zinc/42/81/72/946428172.db2.gz NWFKAMQHBBQDQO-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573506020 946428401 /nfs/dbraw/zinc/42/84/01/946428401.db2.gz NVWAGGXMQVFJNA-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573506020 946428409 /nfs/dbraw/zinc/42/84/09/946428409.db2.gz NVWAGGXMQVFJNA-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573506020 946428414 /nfs/dbraw/zinc/42/84/14/946428414.db2.gz NVWAGGXMQVFJNA-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573506020 946428420 /nfs/dbraw/zinc/42/84/20/946428420.db2.gz NVWAGGXMQVFJNA-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506042 946428432 /nfs/dbraw/zinc/42/84/32/946428432.db2.gz OISHBKWSIICQHX-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506042 946428439 /nfs/dbraw/zinc/42/84/39/946428439.db2.gz OISHBKWSIICQHX-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1C ZINC001573506341 946429986 /nfs/dbraw/zinc/42/99/86/946429986.db2.gz QXYASKBQMMAZOO-ZUZCIYMTSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573506823 946439436 /nfs/dbraw/zinc/43/94/36/946439436.db2.gz UEGHWAHDJJICMC-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573506823 946439439 /nfs/dbraw/zinc/43/94/39/946439439.db2.gz UEGHWAHDJJICMC-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1C ZINC001573507197 946444057 /nfs/dbraw/zinc/44/40/57/946444057.db2.gz XEPAAMVXQVSGOR-MEBBXXQBSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@H]1C ZINC001573507197 946444065 /nfs/dbraw/zinc/44/40/65/946444065.db2.gz XEPAAMVXQVSGOR-MEBBXXQBSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573507728 946451288 /nfs/dbraw/zinc/45/12/88/946451288.db2.gz XIPFBXWWKXRIIS-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573507728 946451298 /nfs/dbraw/zinc/45/12/98/946451298.db2.gz XIPFBXWWKXRIIS-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573508080 946452787 /nfs/dbraw/zinc/45/27/87/946452787.db2.gz YBSKKFYJAAUMOM-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573508080 946452794 /nfs/dbraw/zinc/45/27/94/946452794.db2.gz YBSKKFYJAAUMOM-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN COc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)ncn1 ZINC001571309983 946459393 /nfs/dbraw/zinc/45/93/93/946459393.db2.gz RCKMGUOZONTBAE-HALDLXJZSA-N 0 3 392.423 0.526 20 0 GCADHN COc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)ncn1 ZINC001571309983 946459400 /nfs/dbraw/zinc/45/94/00/946459400.db2.gz RCKMGUOZONTBAE-HALDLXJZSA-N 0 3 392.423 0.526 20 0 GCADHN COc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)ncn1 ZINC001571309983 946459405 /nfs/dbraw/zinc/45/94/05/946459405.db2.gz RCKMGUOZONTBAE-HALDLXJZSA-N 0 3 392.423 0.526 20 0 GCADHN COc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)ncn1 ZINC001571309983 946459411 /nfs/dbraw/zinc/45/94/11/946459411.db2.gz RCKMGUOZONTBAE-HALDLXJZSA-N 0 3 392.423 0.526 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573510088 946470778 /nfs/dbraw/zinc/47/07/78/946470778.db2.gz YQPPZKUJZBJLSD-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573510088 946470789 /nfs/dbraw/zinc/47/07/89/946470789.db2.gz YQPPZKUJZBJLSD-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@](C)(C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573510386 946477825 /nfs/dbraw/zinc/47/78/25/946477825.db2.gz GOSNYZLAWGOPCY-GOSISDBHSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@](C)(C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573510386 946477832 /nfs/dbraw/zinc/47/78/32/946477832.db2.gz GOSNYZLAWGOPCY-GOSISDBHSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573511492 946487303 /nfs/dbraw/zinc/48/73/03/946487303.db2.gz ARFJANKISVYNFM-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573512195 946496890 /nfs/dbraw/zinc/49/68/90/946496890.db2.gz VTSIPEBDGZXVNZ-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573512195 946496894 /nfs/dbraw/zinc/49/68/94/946496894.db2.gz VTSIPEBDGZXVNZ-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)CC(C)C ZINC001573512494 946501551 /nfs/dbraw/zinc/50/15/51/946501551.db2.gz XIJBDJKTQJGVFJ-HNNXBMFYSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573513742 946516310 /nfs/dbraw/zinc/51/63/10/946516310.db2.gz PQGVAZZOJGNEGC-CQSZACIVSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573513742 946516321 /nfs/dbraw/zinc/51/63/21/946516321.db2.gz PQGVAZZOJGNEGC-CQSZACIVSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCCC1 ZINC001573514135 946519714 /nfs/dbraw/zinc/51/97/14/946519714.db2.gz SKCHUFBYMMYMNT-UHFFFAOYSA-N 0 3 389.435 0.661 20 0 GCADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCCC1 ZINC001573514135 946519718 /nfs/dbraw/zinc/51/97/18/946519718.db2.gz SKCHUFBYMMYMNT-UHFFFAOYSA-N 0 3 389.435 0.661 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC001573517037 946566824 /nfs/dbraw/zinc/56/68/24/946566824.db2.gz DDZUJEHNOSLMKC-UHFFFAOYSA-N 0 3 375.408 0.270 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC001573517037 946566834 /nfs/dbraw/zinc/56/68/34/946566834.db2.gz DDZUJEHNOSLMKC-UHFFFAOYSA-N 0 3 375.408 0.270 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573518083 946587368 /nfs/dbraw/zinc/58/73/68/946587368.db2.gz XFHOPGGSSFWZIX-CQSZACIVSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573518083 946587376 /nfs/dbraw/zinc/58/73/76/946587376.db2.gz XFHOPGGSSFWZIX-CQSZACIVSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1C ZINC001573520126 946593255 /nfs/dbraw/zinc/59/32/55/946593255.db2.gz DQMQBXDGONZGCO-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1C ZINC001573520126 946593269 /nfs/dbraw/zinc/59/32/69/946593269.db2.gz DQMQBXDGONZGCO-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1C ZINC001573520126 946593273 /nfs/dbraw/zinc/59/32/73/946593273.db2.gz DQMQBXDGONZGCO-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1C ZINC001573520126 946593284 /nfs/dbraw/zinc/59/32/84/946593284.db2.gz DQMQBXDGONZGCO-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)NCCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573521223 946606238 /nfs/dbraw/zinc/60/62/38/946606238.db2.gz ULMPGVGQLJAYAR-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NCCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573521223 946606255 /nfs/dbraw/zinc/60/62/55/946606255.db2.gz ULMPGVGQLJAYAR-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001571317367 946609482 /nfs/dbraw/zinc/60/94/82/946609482.db2.gz FFVMZGYPVVPTDU-UHFFFAOYSA-N 0 3 392.485 0.788 20 0 GCADHN O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001571317367 946609485 /nfs/dbraw/zinc/60/94/85/946609485.db2.gz FFVMZGYPVVPTDU-UHFFFAOYSA-N 0 3 392.485 0.788 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573521705 946610865 /nfs/dbraw/zinc/61/08/65/946610865.db2.gz BUZMPCXSQLEQDM-SHTZXODSSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573521705 946610874 /nfs/dbraw/zinc/61/08/74/946610874.db2.gz BUZMPCXSQLEQDM-SHTZXODSSA-N 0 3 389.435 0.659 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001571317695 946619752 /nfs/dbraw/zinc/61/97/52/946619752.db2.gz RGJJHXZLDBQRMB-TYNCELHUSA-N 0 3 392.485 0.236 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573522370 946625728 /nfs/dbraw/zinc/62/57/28/946625728.db2.gz DNMQFZCSIFKPBM-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573522370 946625734 /nfs/dbraw/zinc/62/57/34/946625734.db2.gz DNMQFZCSIFKPBM-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573522878 946631770 /nfs/dbraw/zinc/63/17/70/946631770.db2.gz MAKRCTPYYVQQEZ-INIZCTEOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573522878 946631781 /nfs/dbraw/zinc/63/17/81/946631781.db2.gz MAKRCTPYYVQQEZ-INIZCTEOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573522879 946632736 /nfs/dbraw/zinc/63/27/36/946632736.db2.gz MAKRCTPYYVQQEZ-MRXNPFEDSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573522879 946632745 /nfs/dbraw/zinc/63/27/45/946632745.db2.gz MAKRCTPYYVQQEZ-MRXNPFEDSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573522882 946632976 /nfs/dbraw/zinc/63/29/76/946632976.db2.gz MFISEMSHOVXIEO-CXAGYDPISA-N 0 3 399.499 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573522882 946632983 /nfs/dbraw/zinc/63/29/83/946632983.db2.gz MFISEMSHOVXIEO-CXAGYDPISA-N 0 3 399.499 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573523972 946641810 /nfs/dbraw/zinc/64/18/10/946641810.db2.gz YVTQZHQVOQMKTM-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573523972 946641813 /nfs/dbraw/zinc/64/18/13/946641813.db2.gz YVTQZHQVOQMKTM-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573527770 946649060 /nfs/dbraw/zinc/64/90/60/946649060.db2.gz HPWJWFKGFHKMFM-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573527770 946649069 /nfs/dbraw/zinc/64/90/69/946649069.db2.gz HPWJWFKGFHKMFM-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573528025 946655498 /nfs/dbraw/zinc/65/54/98/946655498.db2.gz PQTNHCDBMMTSSD-IYBDPMFKSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573528025 946655503 /nfs/dbraw/zinc/65/55/03/946655503.db2.gz PQTNHCDBMMTSSD-IYBDPMFKSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573535720 946725302 /nfs/dbraw/zinc/72/53/02/946725302.db2.gz HLOSKBVKTZTXFB-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573536418 946734453 /nfs/dbraw/zinc/73/44/53/946734453.db2.gz WRTZWFAZDHCFPY-SUMWQHHRSA-N 0 3 387.488 0.869 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573536418 946734455 /nfs/dbraw/zinc/73/44/55/946734455.db2.gz WRTZWFAZDHCFPY-SUMWQHHRSA-N 0 3 387.488 0.869 20 0 GCADHN CCS(=O)(=O)NCCNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825663034 947279594 /nfs/dbraw/zinc/27/95/94/947279594.db2.gz GXVHIONSPVYLAG-UHFFFAOYSA-N 0 3 390.473 0.296 20 0 GCADHN C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573593580 947374251 /nfs/dbraw/zinc/37/42/51/947374251.db2.gz KSJRMXGWQRPTDY-QGLTVNCISA-N 0 3 392.485 0.379 20 0 GCADHN C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573593580 947374261 /nfs/dbraw/zinc/37/42/61/947374261.db2.gz KSJRMXGWQRPTDY-QGLTVNCISA-N 0 3 392.485 0.379 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC001573594652 947403060 /nfs/dbraw/zinc/40/30/60/947403060.db2.gz BVPOQGCLAHFUNU-CJNGLKHVSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC001573594652 947403072 /nfs/dbraw/zinc/40/30/72/947403072.db2.gz BVPOQGCLAHFUNU-CJNGLKHVSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573595512 947421633 /nfs/dbraw/zinc/42/16/33/947421633.db2.gz YOTNHNUUDJZUGP-VCANKDNSSA-N 0 3 392.485 0.379 20 0 GCADHN C[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573595586 947422212 /nfs/dbraw/zinc/42/22/12/947422212.db2.gz ZCBZQCULTBBIAP-LRVUVFPRSA-N 0 3 381.444 0.798 20 0 GCADHN C[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573595586 947422219 /nfs/dbraw/zinc/42/22/19/947422219.db2.gz ZCBZQCULTBBIAP-LRVUVFPRSA-N 0 3 381.444 0.798 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccn1 ZINC001573599618 947458354 /nfs/dbraw/zinc/45/83/54/947458354.db2.gz YTWBCMUJGNFMQT-HIFRSBDPSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cccn1 ZINC001573599618 947458359 /nfs/dbraw/zinc/45/83/59/947458359.db2.gz YTWBCMUJGNFMQT-HIFRSBDPSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573599756 947463511 /nfs/dbraw/zinc/46/35/11/947463511.db2.gz ZXFIGSWBYPWHMF-ZWNOBZJWSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573599756 947463517 /nfs/dbraw/zinc/46/35/17/947463517.db2.gz ZXFIGSWBYPWHMF-ZWNOBZJWSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)CCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573602264 947467530 /nfs/dbraw/zinc/46/75/30/947467530.db2.gz DZDWZJVSRBHBBK-AWEZNQCLSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@@H](C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH+]1CCCCCC1 ZINC001573602669 947471091 /nfs/dbraw/zinc/47/10/91/947471091.db2.gz GRWKVWLPURSUOA-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCCCC1 ZINC001573607285 947544864 /nfs/dbraw/zinc/54/48/64/947544864.db2.gz IZGBDQSBXVKAPY-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573613911 947573189 /nfs/dbraw/zinc/57/31/89/947573189.db2.gz BOCCGBYPBJPVEE-OCCSQVGLSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573613911 947573197 /nfs/dbraw/zinc/57/31/97/947573197.db2.gz BOCCGBYPBJPVEE-OCCSQVGLSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573618433 947650626 /nfs/dbraw/zinc/65/06/26/947650626.db2.gz QWSVHGPZBMLHJM-SMDDNHRTSA-N 0 3 385.407 0.549 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573618433 947650629 /nfs/dbraw/zinc/65/06/29/947650629.db2.gz QWSVHGPZBMLHJM-SMDDNHRTSA-N 0 3 385.407 0.549 20 0 GCADHN C[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)S(C)(=O)=O ZINC001573626383 947709898 /nfs/dbraw/zinc/70/98/98/947709898.db2.gz UIMMVIBDDVOOKN-LBPRGKRZSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC001573626383 947709908 /nfs/dbraw/zinc/70/99/08/947709908.db2.gz UIMMVIBDDVOOKN-LBPRGKRZSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573628791 947765871 /nfs/dbraw/zinc/76/58/71/947765871.db2.gz OGGRNZBMFMGCKO-GXTWGEPZSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573632045 947807666 /nfs/dbraw/zinc/80/76/66/947807666.db2.gz YHQLUKPTLAMDDJ-DZGCQCFKSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573632045 947807673 /nfs/dbraw/zinc/80/76/73/947807673.db2.gz YHQLUKPTLAMDDJ-DZGCQCFKSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[NH+]1CCCCCC1 ZINC001573640152 947850286 /nfs/dbraw/zinc/85/02/86/947850286.db2.gz GEIQXYNZGHPKFO-AWEZNQCLSA-N 0 3 385.476 0.570 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573647368 947892827 /nfs/dbraw/zinc/89/28/27/947892827.db2.gz IZQQYGQZXYEXBL-DVOMOZLQSA-N 0 3 381.444 0.656 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573647368 947892835 /nfs/dbraw/zinc/89/28/35/947892835.db2.gz IZQQYGQZXYEXBL-DVOMOZLQSA-N 0 3 381.444 0.656 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573387833 947913417 /nfs/dbraw/zinc/91/34/17/947913417.db2.gz DYOQEOHJWICZBK-UHFFFAOYSA-N 0 3 383.456 0.379 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573387833 947913427 /nfs/dbraw/zinc/91/34/27/947913427.db2.gz DYOQEOHJWICZBK-UHFFFAOYSA-N 0 3 383.456 0.379 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573390130 947927366 /nfs/dbraw/zinc/92/73/66/947927366.db2.gz WPBBCSIPOVARBX-UHFFFAOYSA-N 0 3 383.456 0.379 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573390130 947927371 /nfs/dbraw/zinc/92/73/71/947927371.db2.gz WPBBCSIPOVARBX-UHFFFAOYSA-N 0 3 383.456 0.379 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573390185 947928172 /nfs/dbraw/zinc/92/81/72/947928172.db2.gz XCPSRWYTZFASBW-UHFFFAOYSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573390185 947928179 /nfs/dbraw/zinc/92/81/79/947928179.db2.gz XCPSRWYTZFASBW-UHFFFAOYSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573391372 947933257 /nfs/dbraw/zinc/93/32/57/947933257.db2.gz GTRPFHKONJVOFH-INIZCTEOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573391372 947933262 /nfs/dbraw/zinc/93/32/62/947933262.db2.gz GTRPFHKONJVOFH-INIZCTEOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573391372 947933266 /nfs/dbraw/zinc/93/32/66/947933266.db2.gz GTRPFHKONJVOFH-INIZCTEOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573391372 947933271 /nfs/dbraw/zinc/93/32/71/947933271.db2.gz GTRPFHKONJVOFH-INIZCTEOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573391784 947935878 /nfs/dbraw/zinc/93/58/78/947935878.db2.gz KMQWOIXXJAXQTO-HNNXBMFYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573391784 947935885 /nfs/dbraw/zinc/93/58/85/947935885.db2.gz KMQWOIXXJAXQTO-HNNXBMFYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573391949 947938047 /nfs/dbraw/zinc/93/80/47/947938047.db2.gz MPBXMJDRDSRJSQ-CYBMUJFWSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC001573392862 947952470 /nfs/dbraw/zinc/95/24/70/947952470.db2.gz GVUXLDPUFANPDB-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC001573392862 947952479 /nfs/dbraw/zinc/95/24/79/947952479.db2.gz GVUXLDPUFANPDB-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573654660 947968683 /nfs/dbraw/zinc/96/86/83/947968683.db2.gz SIRXLJABCFVOMI-WBMJQRKESA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573654660 947968690 /nfs/dbraw/zinc/96/86/90/947968690.db2.gz SIRXLJABCFVOMI-WBMJQRKESA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573395696 947971771 /nfs/dbraw/zinc/97/17/71/947971771.db2.gz ZUBTVFQBWHPDEW-SUMWQHHRSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573395696 947971780 /nfs/dbraw/zinc/97/17/80/947971780.db2.gz ZUBTVFQBWHPDEW-SUMWQHHRSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573397863 947977013 /nfs/dbraw/zinc/97/70/13/947977013.db2.gz FFAARGNAWBCHOW-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573397863 947977019 /nfs/dbraw/zinc/97/70/19/947977019.db2.gz FFAARGNAWBCHOW-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573398189 947977844 /nfs/dbraw/zinc/97/78/44/947977844.db2.gz IDUMMERQAVYPLH-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573398188 947978482 /nfs/dbraw/zinc/97/84/82/947978482.db2.gz IDUMMERQAVYPLH-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573398537 947981597 /nfs/dbraw/zinc/98/15/97/947981597.db2.gz MHHVCQBMQPPMPD-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573398524 947981680 /nfs/dbraw/zinc/98/16/80/947981680.db2.gz MDXCSIQUVHIVQD-NEPJUHHUSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573398524 947981685 /nfs/dbraw/zinc/98/16/85/947981685.db2.gz MDXCSIQUVHIVQD-NEPJUHHUSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573402839 948006194 /nfs/dbraw/zinc/00/61/94/948006194.db2.gz JLJNHGUZNXAVPQ-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573402839 948006205 /nfs/dbraw/zinc/00/62/05/948006205.db2.gz JLJNHGUZNXAVPQ-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573403120 948008824 /nfs/dbraw/zinc/00/88/24/948008824.db2.gz LLVYBRIVDNNMPR-IRXDYDNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573403120 948008834 /nfs/dbraw/zinc/00/88/34/948008834.db2.gz LLVYBRIVDNNMPR-IRXDYDNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573403411 948009719 /nfs/dbraw/zinc/00/97/19/948009719.db2.gz MDUUVIQDQBYSGX-WBVHZDCISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573403411 948009729 /nfs/dbraw/zinc/00/97/29/948009729.db2.gz MDUUVIQDQBYSGX-WBVHZDCISA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573664366 948053246 /nfs/dbraw/zinc/05/32/46/948053246.db2.gz UQDTXLGCXMSSDT-ZOODHJKOSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573664366 948053260 /nfs/dbraw/zinc/05/32/60/948053260.db2.gz UQDTXLGCXMSSDT-ZOODHJKOSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]2C)C1 ZINC001573413810 948086484 /nfs/dbraw/zinc/08/64/84/948086484.db2.gz GUYGNXOIQUQADI-PXAZEXFGSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)CCC[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573414621 948094339 /nfs/dbraw/zinc/09/43/39/948094339.db2.gz LNXKTCTVWRZPHV-UHFFFAOYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)CCC[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573414621 948094348 /nfs/dbraw/zinc/09/43/48/948094348.db2.gz LNXKTCTVWRZPHV-UHFFFAOYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)CCC[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573414621 948094353 /nfs/dbraw/zinc/09/43/53/948094353.db2.gz LNXKTCTVWRZPHV-UHFFFAOYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)CCC[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573414621 948094365 /nfs/dbraw/zinc/09/43/65/948094365.db2.gz LNXKTCTVWRZPHV-UHFFFAOYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001573415192 948103471 /nfs/dbraw/zinc/10/34/71/948103471.db2.gz WNESPDQZMIETGA-HNNXBMFYSA-N 0 3 387.419 0.175 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001573415192 948103478 /nfs/dbraw/zinc/10/34/78/948103478.db2.gz WNESPDQZMIETGA-HNNXBMFYSA-N 0 3 387.419 0.175 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001573415193 948103988 /nfs/dbraw/zinc/10/39/88/948103988.db2.gz WNESPDQZMIETGA-OAHLLOKOSA-N 0 3 387.419 0.175 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001573415193 948103994 /nfs/dbraw/zinc/10/39/94/948103994.db2.gz WNESPDQZMIETGA-OAHLLOKOSA-N 0 3 387.419 0.175 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C2CC([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573415474 948109357 /nfs/dbraw/zinc/10/93/57/948109357.db2.gz ULVDZOXYJYDPAG-UHFFFAOYSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C2CC([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573415474 948109363 /nfs/dbraw/zinc/10/93/63/948109363.db2.gz ULVDZOXYJYDPAG-UHFFFAOYSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573418538 948117209 /nfs/dbraw/zinc/11/72/09/948117209.db2.gz GTCPXNXSERBHJW-WDEREUQCSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573419002 948120071 /nfs/dbraw/zinc/12/00/71/948120071.db2.gz IVXMNAOCWZNEPP-CHWSQXEVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573419002 948120076 /nfs/dbraw/zinc/12/00/76/948120076.db2.gz IVXMNAOCWZNEPP-CHWSQXEVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573419012 948120086 /nfs/dbraw/zinc/12/00/86/948120086.db2.gz IVXMNAOCWZNEPP-STQMWFEESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573419012 948120093 /nfs/dbraw/zinc/12/00/93/948120093.db2.gz IVXMNAOCWZNEPP-STQMWFEESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573419752 948126422 /nfs/dbraw/zinc/12/64/22/948126422.db2.gz QZTIOANCJAJMFV-SJKOYZFVSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573419752 948126429 /nfs/dbraw/zinc/12/64/29/948126429.db2.gz QZTIOANCJAJMFV-SJKOYZFVSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573419906 948131120 /nfs/dbraw/zinc/13/11/20/948131120.db2.gz VFVIIWIDCFAYMA-LLVKDONJSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573419906 948131125 /nfs/dbraw/zinc/13/11/25/948131125.db2.gz VFVIIWIDCFAYMA-LLVKDONJSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCCC1 ZINC001573677554 948138984 /nfs/dbraw/zinc/13/89/84/948138984.db2.gz XRAUQMCLMJYEHO-UONOGXRCSA-N 0 3 385.476 0.616 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573422414 948141874 /nfs/dbraw/zinc/14/18/74/948141874.db2.gz LFJQTYKCEGVRIX-JTQLQIEISA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573423133 948143696 /nfs/dbraw/zinc/14/36/96/948143696.db2.gz NXWPNPDESUFAIO-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573423133 948143705 /nfs/dbraw/zinc/14/37/05/948143705.db2.gz NXWPNPDESUFAIO-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)[C@@H]2C)C1 ZINC001573426466 948157127 /nfs/dbraw/zinc/15/71/27/948157127.db2.gz MHVGWFMIUPOBNN-YGRLFVJLSA-N 0 3 389.485 0.486 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)[C@@H]2C)C1 ZINC001573426466 948157134 /nfs/dbraw/zinc/15/71/34/948157134.db2.gz MHVGWFMIUPOBNN-YGRLFVJLSA-N 0 3 389.485 0.486 20 0 GCADHN C[C@H](C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573679844 948167050 /nfs/dbraw/zinc/16/70/50/948167050.db2.gz KCZXTYBEZZRISO-KGLIPLIRSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@@H](C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573679847 948168336 /nfs/dbraw/zinc/16/83/36/948168336.db2.gz KCZXTYBEZZRISO-UONOGXRCSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573680044 948170788 /nfs/dbraw/zinc/17/07/88/948170788.db2.gz LOXNOEOEHOQASC-LRDDRELGSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573680044 948170793 /nfs/dbraw/zinc/17/07/93/948170793.db2.gz LOXNOEOEHOQASC-LRDDRELGSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC001573690232 948222887 /nfs/dbraw/zinc/22/28/87/948222887.db2.gz BSOXBWUIMONAGW-BBRMVZONSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC001573690232 948222896 /nfs/dbraw/zinc/22/28/96/948222896.db2.gz BSOXBWUIMONAGW-BBRMVZONSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccco1 ZINC001573692458 948265319 /nfs/dbraw/zinc/26/53/19/948265319.db2.gz PABAEUYZTVKHQV-DGCLKSJQSA-N 0 3 388.403 0.969 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573442089 948286852 /nfs/dbraw/zinc/28/68/52/948286852.db2.gz RSVRSHOPJAIZDD-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573442089 948286860 /nfs/dbraw/zinc/28/68/60/948286860.db2.gz RSVRSHOPJAIZDD-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cccn1 ZINC001573693894 948288671 /nfs/dbraw/zinc/28/86/71/948288671.db2.gz UYZQSAMXACCIMX-WCQYABFASA-N 0 3 388.407 0.030 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(F)(F)F ZINC001573693914 948291906 /nfs/dbraw/zinc/29/19/06/948291906.db2.gz VFXXYDOIPMPIQR-GZMMTYOYSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(F)(F)F ZINC001573693914 948291913 /nfs/dbraw/zinc/29/19/13/948291913.db2.gz VFXXYDOIPMPIQR-GZMMTYOYSA-N 0 3 390.341 0.771 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573446662 948333731 /nfs/dbraw/zinc/33/37/31/948333731.db2.gz LOGFKFNGYBHQRF-MEDUHNTESA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573446662 948333737 /nfs/dbraw/zinc/33/37/37/948333737.db2.gz LOGFKFNGYBHQRF-MEDUHNTESA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573446727 948335434 /nfs/dbraw/zinc/33/54/34/948335434.db2.gz OKOWXQWMLBQNBF-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573446727 948335441 /nfs/dbraw/zinc/33/54/41/948335441.db2.gz OKOWXQWMLBQNBF-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573706909 948425676 /nfs/dbraw/zinc/42/56/76/948425676.db2.gz MNDXSSHQPJDURK-ZFWWWQNUSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573706909 948425678 /nfs/dbraw/zinc/42/56/78/948425678.db2.gz MNDXSSHQPJDURK-ZFWWWQNUSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573706909 948425680 /nfs/dbraw/zinc/42/56/80/948425680.db2.gz MNDXSSHQPJDURK-ZFWWWQNUSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573706909 948425681 /nfs/dbraw/zinc/42/56/81/948425681.db2.gz MNDXSSHQPJDURK-ZFWWWQNUSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573714539 948474698 /nfs/dbraw/zinc/47/46/98/948474698.db2.gz HXMQMAWDOJGDBX-GFCCVEGCSA-N 0 3 387.423 0.797 20 0 GCADHN C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573714539 948474701 /nfs/dbraw/zinc/47/47/01/948474701.db2.gz HXMQMAWDOJGDBX-GFCCVEGCSA-N 0 3 387.423 0.797 20 0 GCADHN O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC([NH2+]C2CCOCC2)C1 ZINC001194744219 948494354 /nfs/dbraw/zinc/49/43/54/948494354.db2.gz LRNDABJZFTVRHX-UHFFFAOYSA-N 0 3 398.876 0.662 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCCCC1 ZINC001573726242 948547458 /nfs/dbraw/zinc/54/74/58/948547458.db2.gz GPNIAPDMWFPVIL-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573729164 948567878 /nfs/dbraw/zinc/56/78/78/948567878.db2.gz HYNZBKVFRURTTL-OBJOEFQTSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573729164 948567885 /nfs/dbraw/zinc/56/78/85/948567885.db2.gz HYNZBKVFRURTTL-OBJOEFQTSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573731938 948599853 /nfs/dbraw/zinc/59/98/53/948599853.db2.gz ZYNSAMOPQPUEKG-NOLJZWGESA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573731938 948599859 /nfs/dbraw/zinc/59/98/59/948599859.db2.gz ZYNSAMOPQPUEKG-NOLJZWGESA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH+]1CCCCCC1 ZINC001573732860 948610720 /nfs/dbraw/zinc/61/07/20/948610720.db2.gz ZPXAHDNMESSLJF-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573732861 948610914 /nfs/dbraw/zinc/61/09/14/948610914.db2.gz ZPXAHDNMESSLJF-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C(N)=O)[N@@H+]1CC[C@@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573754560 948745266 /nfs/dbraw/zinc/74/52/66/948745266.db2.gz HVNPMKMBAKSCTR-DGCLKSJQSA-N 0 3 386.460 0.243 20 0 GCADHN C[C@H](C(N)=O)[N@H+]1CC[C@@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573754560 948745272 /nfs/dbraw/zinc/74/52/72/948745272.db2.gz HVNPMKMBAKSCTR-DGCLKSJQSA-N 0 3 386.460 0.243 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001575223420 948768197 /nfs/dbraw/zinc/76/81/97/948768197.db2.gz OTJAZVTXTGUQHM-LBPRGKRZSA-N 0 3 380.399 0.869 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001575223420 948768208 /nfs/dbraw/zinc/76/82/08/948768208.db2.gz OTJAZVTXTGUQHM-LBPRGKRZSA-N 0 3 380.399 0.869 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574916895 948794334 /nfs/dbraw/zinc/79/43/34/948794334.db2.gz LZGYGAZIBCDDTR-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574916895 948794343 /nfs/dbraw/zinc/79/43/43/948794343.db2.gz LZGYGAZIBCDDTR-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574916895 948794356 /nfs/dbraw/zinc/79/43/56/948794356.db2.gz LZGYGAZIBCDDTR-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574916895 948794370 /nfs/dbraw/zinc/79/43/70/948794370.db2.gz LZGYGAZIBCDDTR-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001573761641 948844046 /nfs/dbraw/zinc/84/40/46/948844046.db2.gz KEWGZMAJHTYOIA-ZDUSSCGKSA-N 0 3 385.476 0.792 20 0 GCADHN CC(F)(F)CC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001575229817 948861648 /nfs/dbraw/zinc/86/16/48/948861648.db2.gz VACIHUZNSUKDRW-UHFFFAOYSA-N 0 3 380.403 0.545 20 0 GCADHN CC(C)(C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCC1 ZINC001573763795 948878081 /nfs/dbraw/zinc/87/80/81/948878081.db2.gz IEBKCFMJIHUFDE-ZDUSSCGKSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574920055 948880812 /nfs/dbraw/zinc/88/08/12/948880812.db2.gz BBRZFKWAKXEGGO-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH+]1CCCC1 ZINC001573764603 948890279 /nfs/dbraw/zinc/89/02/79/948890279.db2.gz OYZBPOWWRCWJEG-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCC1 ZINC001573765361 948904502 /nfs/dbraw/zinc/90/45/02/948904502.db2.gz ZSWATZVKRASZNN-CYBMUJFWSA-N 0 3 385.476 0.934 20 0 GCADHN CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001574431734 948925410 /nfs/dbraw/zinc/92/54/10/948925410.db2.gz ALUBSQUTUWGCKB-CYBMUJFWSA-N 0 3 381.444 0.977 20 0 GCADHN CC(C)c1nccn1CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574432274 948932940 /nfs/dbraw/zinc/93/29/40/948932940.db2.gz ICPUXLNNIOXWCP-ZDUSSCGKSA-N 0 3 381.444 0.717 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926033 948984624 /nfs/dbraw/zinc/98/46/24/948984624.db2.gz GUZDZLCXWQPQLQ-NSHDSACASA-N 0 3 375.408 0.223 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574926033 948984635 /nfs/dbraw/zinc/98/46/35/948984635.db2.gz GUZDZLCXWQPQLQ-NSHDSACASA-N 0 3 375.408 0.223 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574926376 948996533 /nfs/dbraw/zinc/99/65/33/948996533.db2.gz OTNHFWCVQFZNDO-LLVKDONJSA-N 0 3 390.423 0.015 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926451 949001854 /nfs/dbraw/zinc/00/18/54/949001854.db2.gz QPMIKAFHCFMKMT-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926451 949001868 /nfs/dbraw/zinc/00/18/68/949001868.db2.gz QPMIKAFHCFMKMT-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN CC(C)(C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)[NH+]1CCCC1 ZINC001573774620 949017188 /nfs/dbraw/zinc/01/71/88/949017188.db2.gz PKGKGAQRERVUPC-UHFFFAOYSA-N 0 3 385.476 0.982 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574926791 949020001 /nfs/dbraw/zinc/02/00/01/949020001.db2.gz XNEDHJUTDWMFAP-LBPRGKRZSA-N 0 3 389.435 0.613 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574926791 949020008 /nfs/dbraw/zinc/02/00/08/949020008.db2.gz XNEDHJUTDWMFAP-LBPRGKRZSA-N 0 3 389.435 0.613 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCCC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574926838 949025422 /nfs/dbraw/zinc/02/54/22/949025422.db2.gz YNBBORNZKOHJPN-AWEZNQCLSA-N 0 3 385.472 0.864 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCCC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574926838 949025442 /nfs/dbraw/zinc/02/54/42/949025442.db2.gz YNBBORNZKOHJPN-AWEZNQCLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)F ZINC001573775220 949036440 /nfs/dbraw/zinc/03/64/40/949036440.db2.gz UAGUBKONTNDADF-SNVBAGLBSA-N 0 3 386.378 0.864 20 0 GCADHN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(F)F ZINC001573775220 949036460 /nfs/dbraw/zinc/03/64/60/949036460.db2.gz UAGUBKONTNDADF-SNVBAGLBSA-N 0 3 386.378 0.864 20 0 GCADHN CC(C)(C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573779312 949056785 /nfs/dbraw/zinc/05/67/85/949056785.db2.gz HERXQVCUUYKLRK-UHFFFAOYSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H](CNC(=O)COC[C@H]1CCCO1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574929218 949081034 /nfs/dbraw/zinc/08/10/34/949081034.db2.gz AVUVKCYFRYUILG-IUODEOHRSA-N 0 3 392.435 0.796 20 0 GCADHN C[C@H](CNC(=O)COC[C@H]1CCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574929218 949081054 /nfs/dbraw/zinc/08/10/54/949081054.db2.gz AVUVKCYFRYUILG-IUODEOHRSA-N 0 3 392.435 0.796 20 0 GCADHN CC(C)(C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCC1 ZINC001573780367 949087805 /nfs/dbraw/zinc/08/78/05/949087805.db2.gz XGDTYZFKUBXBDE-CYBMUJFWSA-N 0 3 385.476 0.616 20 0 GCADHN CC(C)[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+](C)C ZINC001574694809 949094270 /nfs/dbraw/zinc/09/42/70/949094270.db2.gz WPCZVSAYZDBZOO-FZMZJTMJSA-N 0 3 376.465 0.358 20 0 GCADHN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573781451 949104873 /nfs/dbraw/zinc/10/48/73/949104873.db2.gz HERXQVCUUYKLRK-BETUJISGSA-N 0 3 385.476 0.838 20 0 GCADHN CC(C)(C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCC1 ZINC001573781217 949104960 /nfs/dbraw/zinc/10/49/60/949104960.db2.gz DSSJXEWOIBVOJD-UHFFFAOYSA-N 0 3 386.460 0.257 20 0 GCADHN CC(C)(C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCC1 ZINC001573781511 949108798 /nfs/dbraw/zinc/10/87/98/949108798.db2.gz IOXXQUSTDWZEMG-ONEGZZNKSA-N 0 3 386.460 0.471 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001574697533 949155371 /nfs/dbraw/zinc/15/53/71/949155371.db2.gz AVNSBKFFPGHLFJ-NWDGAFQWSA-N 0 3 380.474 0.236 20 0 GCADHN C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574697862 949163877 /nfs/dbraw/zinc/16/38/77/949163877.db2.gz CPIICSRLKAWUMO-MNOVXSKESA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574697862 949163890 /nfs/dbraw/zinc/16/38/90/949163890.db2.gz CPIICSRLKAWUMO-MNOVXSKESA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574697956 949168097 /nfs/dbraw/zinc/16/80/97/949168097.db2.gz DLPJHRXCBFXSOT-WDEREUQCSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F)n1cncn1 ZINC001574698196 949180057 /nfs/dbraw/zinc/18/00/57/949180057.db2.gz HDKGWZWPXKGGAM-NWDGAFQWSA-N 0 3 387.423 0.795 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573787366 949180850 /nfs/dbraw/zinc/18/08/50/949180850.db2.gz VJVQROCJWCHIJQ-JOCQHMNTSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575253647 949192912 /nfs/dbraw/zinc/19/29/12/949192912.db2.gz LBKZFBGVBPAARE-LLVKDONJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575253647 949192919 /nfs/dbraw/zinc/19/29/19/949192919.db2.gz LBKZFBGVBPAARE-LLVKDONJSA-N 0 3 386.460 0.113 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574451121 949218709 /nfs/dbraw/zinc/21/87/09/949218709.db2.gz CQCMGLUNTDEVQY-CYBMUJFWSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574451121 949218726 /nfs/dbraw/zinc/21/87/26/949218726.db2.gz CQCMGLUNTDEVQY-CYBMUJFWSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574451189 949223958 /nfs/dbraw/zinc/22/39/58/949223958.db2.gz GMOPWBFPXAXQBG-CQSZACIVSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574451189 949223973 /nfs/dbraw/zinc/22/39/73/949223973.db2.gz GMOPWBFPXAXQBG-CQSZACIVSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)cn1 ZINC001574452239 949257365 /nfs/dbraw/zinc/25/73/65/949257365.db2.gz HIIFZZQSSYZATJ-OAHLLOKOSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)cn1 ZINC001574452239 949257385 /nfs/dbraw/zinc/25/73/85/949257385.db2.gz HIIFZZQSSYZATJ-OAHLLOKOSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001574453013 949280218 /nfs/dbraw/zinc/28/02/18/949280218.db2.gz VRFBFSOCTCKEPH-MRXNPFEDSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001574453013 949280243 /nfs/dbraw/zinc/28/02/43/949280243.db2.gz VRFBFSOCTCKEPH-MRXNPFEDSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573799635 949372903 /nfs/dbraw/zinc/37/29/03/949372903.db2.gz OJGAUXRIILNDCA-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574943804 949383333 /nfs/dbraw/zinc/38/33/33/949383333.db2.gz YUHZTLPQLJIWAH-GFCCVEGCSA-N 0 3 381.444 0.376 20 0 GCADHN C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263782 949408935 /nfs/dbraw/zinc/40/89/35/949408935.db2.gz JMBPOAWBHXQXSR-JSGCOSHPSA-N 0 3 387.463 0.894 20 0 GCADHN C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263782 949408940 /nfs/dbraw/zinc/40/89/40/949408940.db2.gz JMBPOAWBHXQXSR-JSGCOSHPSA-N 0 3 387.463 0.894 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574705245 949416396 /nfs/dbraw/zinc/41/63/96/949416396.db2.gz GPTHALVQSZEWIT-DOMZBBRYSA-N 0 3 392.485 0.380 20 0 GCADHN CC(C)n1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001574465069 949427889 /nfs/dbraw/zinc/42/78/89/949427889.db2.gz VWHWXFAVDHWIAW-OAHLLOKOSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001574465069 949427905 /nfs/dbraw/zinc/42/79/05/949427905.db2.gz VWHWXFAVDHWIAW-OAHLLOKOSA-N 0 3 384.444 0.525 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574705589 949430675 /nfs/dbraw/zinc/43/06/75/949430675.db2.gz JAMWTCPNAYRZKV-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574705589 949430696 /nfs/dbraw/zinc/43/06/96/949430696.db2.gz JAMWTCPNAYRZKV-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCC(=O)NC1 ZINC001575535732 949453992 /nfs/dbraw/zinc/45/39/92/949453992.db2.gz AETUXBRQIOTFGB-HNAYVOBHSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCNC(=O)C1 ZINC001575535748 949454243 /nfs/dbraw/zinc/45/42/43/949454243.db2.gz AOWAVTIANVAART-DNVCBOLYSA-N 0 3 383.456 0.474 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573804630 949469949 /nfs/dbraw/zinc/46/99/49/949469949.db2.gz YMFOJOZWRKRJEO-GASCZTMLSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573804630 949469960 /nfs/dbraw/zinc/46/99/60/949469960.db2.gz YMFOJOZWRKRJEO-GASCZTMLSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)n1nccc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574470438 949504331 /nfs/dbraw/zinc/50/43/31/949504331.db2.gz QVQTZXFBWKZYJD-LLVKDONJSA-N 0 3 390.473 0.586 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574710920 949517933 /nfs/dbraw/zinc/51/79/33/949517933.db2.gz CAWMGOAIQCDTGF-KGLIPLIRSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574710920 949517947 /nfs/dbraw/zinc/51/79/47/949517947.db2.gz CAWMGOAIQCDTGF-KGLIPLIRSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575268736 949526942 /nfs/dbraw/zinc/52/69/42/949526942.db2.gz ONICSDFJCCMMOC-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575268736 949526959 /nfs/dbraw/zinc/52/69/59/949526959.db2.gz ONICSDFJCCMMOC-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575268736 949526972 /nfs/dbraw/zinc/52/69/72/949526972.db2.gz ONICSDFJCCMMOC-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575268736 949526990 /nfs/dbraw/zinc/52/69/90/949526990.db2.gz ONICSDFJCCMMOC-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574711395 949535344 /nfs/dbraw/zinc/53/53/44/949535344.db2.gz GRKNTZUNYBBIRY-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574711454 949535696 /nfs/dbraw/zinc/53/56/96/949535696.db2.gz HJSPZZXJTAEHBO-WCQYABFASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574711454 949535716 /nfs/dbraw/zinc/53/57/16/949535716.db2.gz HJSPZZXJTAEHBO-WCQYABFASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872590 949554579 /nfs/dbraw/zinc/55/45/79/949554579.db2.gz KBVKIYUOLSWOPW-FZMZJTMJSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872590 949554607 /nfs/dbraw/zinc/55/46/07/949554607.db2.gz KBVKIYUOLSWOPW-FZMZJTMJSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711805 949555091 /nfs/dbraw/zinc/55/50/91/949555091.db2.gz MLDMSBQELMJGBO-QWHCGFSZSA-N 0 3 381.444 0.402 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574124097 949566926 /nfs/dbraw/zinc/56/69/26/949566926.db2.gz BMNHLFSIFASIOH-BBRMVZONSA-N 0 3 387.488 0.951 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574124097 949566944 /nfs/dbraw/zinc/56/69/44/949566944.db2.gz BMNHLFSIFASIOH-BBRMVZONSA-N 0 3 387.488 0.951 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CCNC(N)=O ZINC001573810665 949574652 /nfs/dbraw/zinc/57/46/52/949574652.db2.gz BQYDOKMXJATVKU-AWEZNQCLSA-N 0 3 388.476 0.546 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CCNC(N)=O ZINC001573810665 949574668 /nfs/dbraw/zinc/57/46/68/949574668.db2.gz BQYDOKMXJATVKU-AWEZNQCLSA-N 0 3 388.476 0.546 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573811130 949592046 /nfs/dbraw/zinc/59/20/46/949592046.db2.gz HXNKVJMNLNECEB-KBPBESRZSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573811130 949592068 /nfs/dbraw/zinc/59/20/68/949592068.db2.gz HXNKVJMNLNECEB-KBPBESRZSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573811323 949597050 /nfs/dbraw/zinc/59/70/50/949597050.db2.gz KFORYDXRCUFAPT-CQSZACIVSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573811323 949597057 /nfs/dbraw/zinc/59/70/57/949597057.db2.gz KFORYDXRCUFAPT-CQSZACIVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873977 949597165 /nfs/dbraw/zinc/59/71/65/949597165.db2.gz DCXYWMQIMFJOSU-JSGCOSHPSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873977 949597179 /nfs/dbraw/zinc/59/71/79/949597179.db2.gz DCXYWMQIMFJOSU-JSGCOSHPSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874102 949600216 /nfs/dbraw/zinc/60/02/16/949600216.db2.gz RFHFOGVQCJAGTK-BXUZGUMPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575270952 949611819 /nfs/dbraw/zinc/61/18/19/949611819.db2.gz HQRQDQLGAONCRV-DOMZBBRYSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270952 949611828 /nfs/dbraw/zinc/61/18/28/949611828.db2.gz HQRQDQLGAONCRV-DOMZBBRYSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574713912 949619607 /nfs/dbraw/zinc/61/96/07/949619607.db2.gz ZIOIHWDPOMCENE-WBMJQRKESA-N 0 3 391.451 0.273 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001573812816 949621488 /nfs/dbraw/zinc/62/14/88/949621488.db2.gz UVEPBQCQRPCXTL-HOTGVXAUSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001573812816 949621501 /nfs/dbraw/zinc/62/15/01/949621501.db2.gz UVEPBQCQRPCXTL-HOTGVXAUSA-N 0 3 388.472 0.903 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574957691 949628417 /nfs/dbraw/zinc/62/84/17/949628417.db2.gz GEEDXLQYRWRQLW-ISWURRPUSA-N 0 3 386.456 0.513 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574957691 949628432 /nfs/dbraw/zinc/62/84/32/949628432.db2.gz GEEDXLQYRWRQLW-ISWURRPUSA-N 0 3 386.456 0.513 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575271776 949629658 /nfs/dbraw/zinc/62/96/58/949629658.db2.gz LYVCAACYSYNHBK-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575271776 949629664 /nfs/dbraw/zinc/62/96/64/949629664.db2.gz LYVCAACYSYNHBK-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715188 949645227 /nfs/dbraw/zinc/64/52/27/949645227.db2.gz HJALMNKYMVOZDU-ZIAGYGMSSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715188 949645236 /nfs/dbraw/zinc/64/52/36/949645236.db2.gz HJALMNKYMVOZDU-ZIAGYGMSSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575272474 949645825 /nfs/dbraw/zinc/64/58/25/949645825.db2.gz REHIWSIWAQOFJE-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575272474 949645837 /nfs/dbraw/zinc/64/58/37/949645837.db2.gz REHIWSIWAQOFJE-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575273021 949655152 /nfs/dbraw/zinc/65/51/52/949655152.db2.gz UQVDLVZGFMBKAU-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575273021 949655165 /nfs/dbraw/zinc/65/51/65/949655165.db2.gz UQVDLVZGFMBKAU-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576168956 949658365 /nfs/dbraw/zinc/65/83/65/949658365.db2.gz DCAGKOPKHXGISO-MRVWCRGKSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574715789 949668397 /nfs/dbraw/zinc/66/83/97/949668397.db2.gz KFUSHAIJEXUCCE-YPMHNXCESA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575877706 949670410 /nfs/dbraw/zinc/67/04/10/949670410.db2.gz MNEFWNJGAOMISN-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575877706 949670424 /nfs/dbraw/zinc/67/04/24/949670424.db2.gz MNEFWNJGAOMISN-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574715822 949670845 /nfs/dbraw/zinc/67/08/45/949670845.db2.gz KTDMPANTEHSBFX-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574715787 949671343 /nfs/dbraw/zinc/67/13/43/949671343.db2.gz KFUSHAIJEXUCCE-DGCLKSJQSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575273830 949672445 /nfs/dbraw/zinc/67/24/45/949672445.db2.gz YGGWJSQDDBNBJV-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575273830 949672452 /nfs/dbraw/zinc/67/24/52/949672452.db2.gz YGGWJSQDDBNBJV-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCOC1 ZINC001575548407 949673422 /nfs/dbraw/zinc/67/34/22/949673422.db2.gz ZTMXZWAXLYUELD-LPHOPBHVSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575880909 949710192 /nfs/dbraw/zinc/71/01/92/949710192.db2.gz VSISYDGIOXGWGR-TZMCWYRMSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575880909 949710199 /nfs/dbraw/zinc/71/01/99/949710199.db2.gz VSISYDGIOXGWGR-TZMCWYRMSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576170491 949720692 /nfs/dbraw/zinc/72/06/92/949720692.db2.gz LHYOABPLPJYKPF-IUODEOHRSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881498 949723236 /nfs/dbraw/zinc/72/32/36/949723236.db2.gz YQYCFQSGUMBTDR-BXUZGUMPSA-N 0 3 376.440 0.826 20 0 GCADHN C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881498 949723245 /nfs/dbraw/zinc/72/32/45/949723245.db2.gz YQYCFQSGUMBTDR-BXUZGUMPSA-N 0 3 376.440 0.826 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574717266 949727061 /nfs/dbraw/zinc/72/70/61/949727061.db2.gz UTBRIOJKMMHFMX-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574717266 949727079 /nfs/dbraw/zinc/72/70/79/949727079.db2.gz UTBRIOJKMMHFMX-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574962545 949740711 /nfs/dbraw/zinc/74/07/11/949740711.db2.gz BGWSKPBWZBPQCP-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574962545 949740722 /nfs/dbraw/zinc/74/07/22/949740722.db2.gz BGWSKPBWZBPQCP-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574963646 949752974 /nfs/dbraw/zinc/75/29/74/949752974.db2.gz KFOZJKSTZMJBNU-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574963646 949752987 /nfs/dbraw/zinc/75/29/87/949752987.db2.gz KFOZJKSTZMJBNU-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576171222 949755699 /nfs/dbraw/zinc/75/56/99/949755699.db2.gz PMWXKEGCWLJZBE-IAQYHMDHSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964239 949770606 /nfs/dbraw/zinc/77/06/06/949770606.db2.gz SJELVXOCYQCEGB-MCIONIFRSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964239 949770617 /nfs/dbraw/zinc/77/06/17/949770617.db2.gz SJELVXOCYQCEGB-MCIONIFRSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574964239 949770625 /nfs/dbraw/zinc/77/06/25/949770625.db2.gz SJELVXOCYQCEGB-MCIONIFRSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574964239 949770635 /nfs/dbraw/zinc/77/06/35/949770635.db2.gz SJELVXOCYQCEGB-MCIONIFRSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574718379 949775192 /nfs/dbraw/zinc/77/51/92/949775192.db2.gz VZVPUEIVGVYEKL-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575280878 949794193 /nfs/dbraw/zinc/79/41/93/949794193.db2.gz BATUBCRGCYGNDK-OLZOCXBDSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575280878 949794206 /nfs/dbraw/zinc/79/42/06/949794206.db2.gz BATUBCRGCYGNDK-OLZOCXBDSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574481743 949799494 /nfs/dbraw/zinc/79/94/94/949799494.db2.gz URCPSSQMZQEXIQ-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574481743 949799504 /nfs/dbraw/zinc/79/95/04/949799504.db2.gz URCPSSQMZQEXIQ-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)NC(N)=O ZINC001574481718 949800903 /nfs/dbraw/zinc/80/09/03/949800903.db2.gz UJZBIECEONTNFA-GFCCVEGCSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)NC(N)=O ZINC001574481718 949800918 /nfs/dbraw/zinc/80/09/18/949800918.db2.gz UJZBIECEONTNFA-GFCCVEGCSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574720735 949804207 /nfs/dbraw/zinc/80/42/07/949804207.db2.gz GMRMILGGWGFGHZ-JTQLQIEISA-N 0 3 378.412 0.001 20 0 GCADHN C[C@@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574721419 949815527 /nfs/dbraw/zinc/81/55/27/949815527.db2.gz LCUSCROGODNEAX-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574721419 949815546 /nfs/dbraw/zinc/81/55/46/949815546.db2.gz LCUSCROGODNEAX-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575282197 949828181 /nfs/dbraw/zinc/82/81/81/949828181.db2.gz IYAIUZDMEQAEBQ-NEPJUHHUSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574966909 949861014 /nfs/dbraw/zinc/86/10/14/949861014.db2.gz CNWFOONVUPIRJL-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574966909 949861034 /nfs/dbraw/zinc/86/10/34/949861034.db2.gz CNWFOONVUPIRJL-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574966909 949861051 /nfs/dbraw/zinc/86/10/51/949861051.db2.gz CNWFOONVUPIRJL-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574966909 949861071 /nfs/dbraw/zinc/86/10/71/949861071.db2.gz CNWFOONVUPIRJL-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](C[NH2+][C@H](C)C(=O)N1CCC(C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576179346 949912872 /nfs/dbraw/zinc/91/28/72/949912872.db2.gz KZYUMZLVHROXLI-CHWSQXEVSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574725911 949913916 /nfs/dbraw/zinc/91/39/16/949913916.db2.gz DHRBUMUFXQNDPT-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574725911 949913931 /nfs/dbraw/zinc/91/39/31/949913931.db2.gz DHRBUMUFXQNDPT-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284937 949928564 /nfs/dbraw/zinc/92/85/64/949928564.db2.gz XEDUXXZQUWQEGJ-JTNHKYCSSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574972505 949938062 /nfs/dbraw/zinc/93/80/62/949938062.db2.gz CGENHLGKYVIOCI-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574972505 949938075 /nfs/dbraw/zinc/93/80/75/949938075.db2.gz CGENHLGKYVIOCI-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574972505 949938091 /nfs/dbraw/zinc/93/80/91/949938091.db2.gz CGENHLGKYVIOCI-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574972505 949938106 /nfs/dbraw/zinc/93/81/06/949938106.db2.gz CGENHLGKYVIOCI-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574726514 949940987 /nfs/dbraw/zinc/94/09/87/949940987.db2.gz JMORMEAGZPNDQE-ZDUSSCGKSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](CC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)NC(N)=O ZINC001574488402 949948066 /nfs/dbraw/zinc/94/80/66/949948066.db2.gz FJCFYFDBGABCRR-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)NC(N)=O ZINC001574488402 949948105 /nfs/dbraw/zinc/94/81/05/949948105.db2.gz FJCFYFDBGABCRR-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574727467 949965308 /nfs/dbraw/zinc/96/53/08/949965308.db2.gz TZUZSHYQDYRGNG-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147958 949965590 /nfs/dbraw/zinc/96/55/90/949965590.db2.gz HDPTUJPNUFBSBP-CHWSQXEVSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147958 949965611 /nfs/dbraw/zinc/96/56/11/949965611.db2.gz HDPTUJPNUFBSBP-CHWSQXEVSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147958 949965637 /nfs/dbraw/zinc/96/56/37/949965637.db2.gz HDPTUJPNUFBSBP-CHWSQXEVSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147958 949965662 /nfs/dbraw/zinc/96/56/62/949965662.db2.gz HDPTUJPNUFBSBP-CHWSQXEVSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574727707 949979794 /nfs/dbraw/zinc/97/97/94/949979794.db2.gz XXILPTFHZBFQMP-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574727707 949979806 /nfs/dbraw/zinc/97/98/06/949979806.db2.gz XXILPTFHZBFQMP-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575572878 949983834 /nfs/dbraw/zinc/98/38/34/949983834.db2.gz IVLIDWRBAQSEEB-FZKQIMNGSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)Cc1ccc(C(N)=O)cc1 ZINC001574974619 949998324 /nfs/dbraw/zinc/99/83/24/949998324.db2.gz BUIRMTGKCYSOAQ-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN CC(C)C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574149711 950013283 /nfs/dbraw/zinc/01/32/83/950013283.db2.gz XIFKMJBGCNNOTE-CYBMUJFWSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574149711 950013304 /nfs/dbraw/zinc/01/33/04/950013304.db2.gz XIFKMJBGCNNOTE-CYBMUJFWSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574150391 950028974 /nfs/dbraw/zinc/02/89/74/950028974.db2.gz ZMWZDWMCMDJYOM-STQMWFEESA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574150391 950028994 /nfs/dbraw/zinc/02/89/94/950028994.db2.gz ZMWZDWMCMDJYOM-STQMWFEESA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574150391 950029017 /nfs/dbraw/zinc/02/90/17/950029017.db2.gz ZMWZDWMCMDJYOM-STQMWFEESA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574150391 950029034 /nfs/dbraw/zinc/02/90/34/950029034.db2.gz ZMWZDWMCMDJYOM-STQMWFEESA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574150389 950031712 /nfs/dbraw/zinc/03/17/12/950031712.db2.gz ZMWZDWMCMDJYOM-OLZOCXBDSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574150389 950031735 /nfs/dbraw/zinc/03/17/35/950031735.db2.gz ZMWZDWMCMDJYOM-OLZOCXBDSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574150389 950031757 /nfs/dbraw/zinc/03/17/57/950031757.db2.gz ZMWZDWMCMDJYOM-OLZOCXBDSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574150389 950031783 /nfs/dbraw/zinc/03/17/83/950031783.db2.gz ZMWZDWMCMDJYOM-OLZOCXBDSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574975749 950042062 /nfs/dbraw/zinc/04/20/62/950042062.db2.gz ZKSSDLLCWXWLKB-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574975749 950042080 /nfs/dbraw/zinc/04/20/80/950042080.db2.gz ZKSSDLLCWXWLKB-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)C1 ZINC001575575245 950045999 /nfs/dbraw/zinc/04/59/99/950045999.db2.gz GXNSOPYAZGQCIS-ZDUSSCGKSA-N 0 3 380.399 0.869 20 0 GCADHN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)C1 ZINC001575575245 950046021 /nfs/dbraw/zinc/04/60/21/950046021.db2.gz GXNSOPYAZGQCIS-ZDUSSCGKSA-N 0 3 380.399 0.869 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1cnnn1 ZINC001574151383 950074269 /nfs/dbraw/zinc/07/42/69/950074269.db2.gz QFPXRKCFBIZRSM-OAHLLOKOSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1cnnn1 ZINC001574151383 950074292 /nfs/dbraw/zinc/07/42/92/950074292.db2.gz QFPXRKCFBIZRSM-OAHLLOKOSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1nnn(C)n1 ZINC001574151519 950080002 /nfs/dbraw/zinc/08/00/02/950080002.db2.gz UHWNNOXAJOXCFK-CQSZACIVSA-N 0 3 384.448 0.325 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1nnn(C)n1 ZINC001574151519 950080021 /nfs/dbraw/zinc/08/00/21/950080021.db2.gz UHWNNOXAJOXCFK-CQSZACIVSA-N 0 3 384.448 0.325 20 0 GCADHN CC(C)C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151614 950089298 /nfs/dbraw/zinc/08/92/98/950089298.db2.gz WGERMVKNZCXRKN-BXUZGUMPSA-N 0 3 388.476 0.596 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1COC(=O)N1 ZINC001574151859 950094462 /nfs/dbraw/zinc/09/44/62/950094462.db2.gz ZNKKNBPUYYQYEF-LSDHHAIUSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1COC(=O)N1 ZINC001574151859 950094483 /nfs/dbraw/zinc/09/44/83/950094483.db2.gz ZNKKNBPUYYQYEF-LSDHHAIUSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574153546 950148236 /nfs/dbraw/zinc/14/82/36/950148236.db2.gz VAJUJBWXIYMXJF-DZGCQCFKSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574153546 950148253 /nfs/dbraw/zinc/14/82/53/950148253.db2.gz VAJUJBWXIYMXJF-DZGCQCFKSA-N 0 3 386.460 0.169 20 0 GCADHN C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576184962 950151879 /nfs/dbraw/zinc/15/18/79/950151879.db2.gz ZAQHUDUPIWUSRW-QWHCGFSZSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574154748 950178591 /nfs/dbraw/zinc/17/85/91/950178591.db2.gz HBLGRCCVNBAJIL-KBPBESRZSA-N 0 3 387.492 0.941 20 0 GCADHN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574154748 950178604 /nfs/dbraw/zinc/17/86/04/950178604.db2.gz HBLGRCCVNBAJIL-KBPBESRZSA-N 0 3 387.492 0.941 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001574982846 950186913 /nfs/dbraw/zinc/18/69/13/950186913.db2.gz HCFTXHAVCLGKOR-WDEREUQCSA-N 0 3 376.465 0.454 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001574982846 950186921 /nfs/dbraw/zinc/18/69/21/950186921.db2.gz HCFTXHAVCLGKOR-WDEREUQCSA-N 0 3 376.465 0.454 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)n1ccnc1 ZINC001574494841 950188171 /nfs/dbraw/zinc/18/81/71/950188171.db2.gz PDJCRGLVDHKHLZ-BLLLJJGKSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNCc1cn(C)nn1 ZINC001576191459 950197060 /nfs/dbraw/zinc/19/70/60/950197060.db2.gz HZMUSMFACWCOSE-WCQYABFASA-N 0 3 384.448 0.211 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)Cn1cccn1 ZINC001575900473 950198752 /nfs/dbraw/zinc/19/87/52/950198752.db2.gz FVXFQPYZJZEUTK-MLGOLLRUSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)Cn1cccn1 ZINC001575900473 950198763 /nfs/dbraw/zinc/19/87/63/950198763.db2.gz FVXFQPYZJZEUTK-MLGOLLRUSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]CC(=O)NC2CCCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900660 950203165 /nfs/dbraw/zinc/20/31/65/950203165.db2.gz HCHJPHBLXYOBKU-RISCZKNCSA-N 0 3 386.460 0.446 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574739719 950204819 /nfs/dbraw/zinc/20/48/19/950204819.db2.gz WMLDQKQEILBVHU-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574739719 950204835 /nfs/dbraw/zinc/20/48/35/950204835.db2.gz WMLDQKQEILBVHU-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574739719 950204847 /nfs/dbraw/zinc/20/48/47/950204847.db2.gz WMLDQKQEILBVHU-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574739719 950204859 /nfs/dbraw/zinc/20/48/59/950204859.db2.gz WMLDQKQEILBVHU-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574983260 950208958 /nfs/dbraw/zinc/20/89/58/950208958.db2.gz LPVCKLDGXKKXGR-VIFPVBQESA-N 0 3 386.391 0.341 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574983260 950208968 /nfs/dbraw/zinc/20/89/68/950208968.db2.gz LPVCKLDGXKKXGR-VIFPVBQESA-N 0 3 386.391 0.341 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575901156 950220587 /nfs/dbraw/zinc/22/05/87/950220587.db2.gz LTPCKYBUHOTDBQ-MFKMUULPSA-N 0 3 389.851 0.938 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901156 950220604 /nfs/dbraw/zinc/22/06/04/950220604.db2.gz LTPCKYBUHOTDBQ-MFKMUULPSA-N 0 3 389.851 0.938 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cccc2c1OCCO2 ZINC001574983496 950223221 /nfs/dbraw/zinc/22/32/21/950223221.db2.gz PHBKHAFYXLSPLR-NSHDSACASA-N 0 3 383.412 0.874 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983621 950229921 /nfs/dbraw/zinc/22/99/21/950229921.db2.gz QNXCMJQBHKTVBT-DOMZBBRYSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983621 950229938 /nfs/dbraw/zinc/22/99/38/950229938.db2.gz QNXCMJQBHKTVBT-DOMZBBRYSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CC(=O)NCC1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574497719 950235958 /nfs/dbraw/zinc/23/59/58/950235958.db2.gz BPCWDLOXGQJICU-DCBWTQNWSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574497719 950235969 /nfs/dbraw/zinc/23/59/69/950235969.db2.gz BPCWDLOXGQJICU-DCBWTQNWSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnnn1C ZINC001575901635 950237719 /nfs/dbraw/zinc/23/77/19/950237719.db2.gz PGOHAHKXUNBLPC-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573845753 950240044 /nfs/dbraw/zinc/24/00/44/950240044.db2.gz KOYXDDOQCHNNPH-UHFFFAOYSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cccn1 ZINC001575901880 950245117 /nfs/dbraw/zinc/24/51/17/950245117.db2.gz REKDEILMXQLZMB-MLGOLLRUSA-N 0 3 384.419 0.982 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573846108 950246291 /nfs/dbraw/zinc/24/62/91/950246291.db2.gz OBUKCXVACDKIRD-TXEJJXNPSA-N 0 3 388.476 0.455 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]CC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573849771 950257326 /nfs/dbraw/zinc/25/73/26/950257326.db2.gz BFICEDQOTMSYNV-UHFFFAOYSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]CC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573849771 950257335 /nfs/dbraw/zinc/25/73/35/950257335.db2.gz BFICEDQOTMSYNV-UHFFFAOYSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)CC2CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575902635 950261858 /nfs/dbraw/zinc/26/18/58/950261858.db2.gz WCFHRMBORIKWRO-RISCZKNCSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cncn1 ZINC001575902642 950263680 /nfs/dbraw/zinc/26/36/80/950263680.db2.gz WEZXNZSVEMEJBU-IAQYHMDHSA-N 0 3 385.407 0.377 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573850473 950275416 /nfs/dbraw/zinc/27/54/16/950275416.db2.gz JYJYCNVJFMFFPU-JOCQHMNTSA-N 0 3 388.476 0.740 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573851141 950290183 /nfs/dbraw/zinc/29/01/83/950290183.db2.gz SKQWBOGQNLHSQO-VXGBXAGGSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccn1 ZINC001574499164 950293157 /nfs/dbraw/zinc/29/31/57/950293157.db2.gz SIQAPBQRCIYYTN-XJKSGUPXSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC001574499164 950293176 /nfs/dbraw/zinc/29/31/76/950293176.db2.gz SIQAPBQRCIYYTN-XJKSGUPXSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccc1 ZINC001574499077 950293402 /nfs/dbraw/zinc/29/34/02/950293402.db2.gz RXNYDWHZMGLWDQ-HOCLYGCPSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cccc1 ZINC001574499077 950293417 /nfs/dbraw/zinc/29/34/17/950293417.db2.gz RXNYDWHZMGLWDQ-HOCLYGCPSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCNC(N)=O ZINC001575905742 950298430 /nfs/dbraw/zinc/29/84/30/950298430.db2.gz DYODNQNZYQBBHW-IINYFYTJSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCNC(N)=O ZINC001575905742 950298449 /nfs/dbraw/zinc/29/84/49/950298449.db2.gz DYODNQNZYQBBHW-IINYFYTJSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cccn1 ZINC001575905703 950300813 /nfs/dbraw/zinc/30/08/13/950300813.db2.gz DKKROFGCISFSPS-MLGOLLRUSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cccn1 ZINC001575905703 950300834 /nfs/dbraw/zinc/30/08/34/950300834.db2.gz DKKROFGCISFSPS-MLGOLLRUSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576193707 950312611 /nfs/dbraw/zinc/31/26/11/950312611.db2.gz VLFOVHRXATWXLM-ZDUSSCGKSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576193707 950312632 /nfs/dbraw/zinc/31/26/32/950312632.db2.gz VLFOVHRXATWXLM-ZDUSSCGKSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574743164 950318827 /nfs/dbraw/zinc/31/88/27/950318827.db2.gz SOEYJEIGJUETMZ-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574743164 950318851 /nfs/dbraw/zinc/31/88/51/950318851.db2.gz SOEYJEIGJUETMZ-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574743164 950318873 /nfs/dbraw/zinc/31/88/73/950318873.db2.gz SOEYJEIGJUETMZ-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574743164 950318896 /nfs/dbraw/zinc/31/88/96/950318896.db2.gz SOEYJEIGJUETMZ-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574501279 950323648 /nfs/dbraw/zinc/32/36/48/950323648.db2.gz CKZWCDMIWBDZBS-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574501279 950323668 /nfs/dbraw/zinc/32/36/68/950323668.db2.gz CKZWCDMIWBDZBS-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574501279 950323691 /nfs/dbraw/zinc/32/36/91/950323691.db2.gz CKZWCDMIWBDZBS-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574501279 950323711 /nfs/dbraw/zinc/32/37/11/950323711.db2.gz CKZWCDMIWBDZBS-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001574988294 950329637 /nfs/dbraw/zinc/32/96/37/950329637.db2.gz QHQDGBBSUOHBMC-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001574988294 950329657 /nfs/dbraw/zinc/32/96/57/950329657.db2.gz QHQDGBBSUOHBMC-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575907374 950333779 /nfs/dbraw/zinc/33/37/79/950333779.db2.gz NRMZNPLQEWWFPH-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575907374 950333801 /nfs/dbraw/zinc/33/38/01/950333801.db2.gz NRMZNPLQEWWFPH-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575907372 950335100 /nfs/dbraw/zinc/33/51/00/950335100.db2.gz NRMZNPLQEWWFPH-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575907372 950335119 /nfs/dbraw/zinc/33/51/19/950335119.db2.gz NRMZNPLQEWWFPH-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575907603 950339766 /nfs/dbraw/zinc/33/97/66/950339766.db2.gz PJPMKSXCLMASIX-SMDDNHRTSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575907603 950339788 /nfs/dbraw/zinc/33/97/88/950339788.db2.gz PJPMKSXCLMASIX-SMDDNHRTSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCNC(N)=O ZINC001575907775 950342604 /nfs/dbraw/zinc/34/26/04/950342604.db2.gz QJQFBCBBZFZRAQ-YGRLFVJLSA-N 0 3 390.423 0.143 20 0 GCADHN CC(C)(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001573854711 950347227 /nfs/dbraw/zinc/34/72/27/950347227.db2.gz CUULXCJAASLSNS-JHJVBQTASA-N 0 3 386.460 0.445 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574988825 950351962 /nfs/dbraw/zinc/35/19/62/950351962.db2.gz VQSQKXAKWUNZBL-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574988825 950351987 /nfs/dbraw/zinc/35/19/87/950351987.db2.gz VQSQKXAKWUNZBL-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575908250 950353854 /nfs/dbraw/zinc/35/38/54/950353854.db2.gz SZWMNUDEJDWVIH-RISCZKNCSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575908250 950353869 /nfs/dbraw/zinc/35/38/69/950353869.db2.gz SZWMNUDEJDWVIH-RISCZKNCSA-N 0 3 380.412 0.343 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573855355 950367259 /nfs/dbraw/zinc/36/72/59/950367259.db2.gz RNNANOAHNYESNL-UHFFFAOYSA-N 0 3 388.476 0.742 20 0 GCADHN CC1CC[NH+](CC(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576196903 950371725 /nfs/dbraw/zinc/37/17/25/950371725.db2.gz IRWWMSVLRQJFSR-AWEZNQCLSA-N 0 3 385.476 0.792 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573855426 950373985 /nfs/dbraw/zinc/37/39/85/950373985.db2.gz UIQNBQITLOBSTA-QWHCGFSZSA-N 0 3 388.476 0.740 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575908675 950374841 /nfs/dbraw/zinc/37/48/41/950374841.db2.gz CYTOPWZTEFKRSN-ABAIWWIYSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575908675 950374862 /nfs/dbraw/zinc/37/48/62/950374862.db2.gz CYTOPWZTEFKRSN-ABAIWWIYSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574502501 950384981 /nfs/dbraw/zinc/38/49/81/950384981.db2.gz OGSXQTRCEIQSHS-OCCSQVGLSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574502501 950384996 /nfs/dbraw/zinc/38/49/96/950384996.db2.gz OGSXQTRCEIQSHS-OCCSQVGLSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001576197260 950386758 /nfs/dbraw/zinc/38/67/58/950386758.db2.gz MFRKQCSNEAUVRM-LBPRGKRZSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001576197260 950386779 /nfs/dbraw/zinc/38/67/79/950386779.db2.gz MFRKQCSNEAUVRM-LBPRGKRZSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574746830 950400459 /nfs/dbraw/zinc/40/04/59/950400459.db2.gz QDCBYYWUBJYDFT-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574746830 950400477 /nfs/dbraw/zinc/40/04/77/950400477.db2.gz QDCBYYWUBJYDFT-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576199248 950417574 /nfs/dbraw/zinc/41/75/74/950417574.db2.gz XVNVZSUVJCJFAZ-GJZGRUSLSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576199248 950417595 /nfs/dbraw/zinc/41/75/95/950417595.db2.gz XVNVZSUVJCJFAZ-GJZGRUSLSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F)NC(N)=O ZINC001574506434 950431320 /nfs/dbraw/zinc/43/13/20/950431320.db2.gz DJBAFMAZVIDPQF-ZJUUUORDSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574506439 950434311 /nfs/dbraw/zinc/43/43/11/950434311.db2.gz DJQHJUSQCXSFKP-ZJUUUORDSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc2n(n1)CCO2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574750704 950438262 /nfs/dbraw/zinc/43/82/62/950438262.db2.gz GBXYZRXRWMGTBV-LBPRGKRZSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc2n(n1)CCO2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574750704 950438274 /nfs/dbraw/zinc/43/82/74/950438274.db2.gz GBXYZRXRWMGTBV-LBPRGKRZSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001576203639 950443869 /nfs/dbraw/zinc/44/38/69/950443869.db2.gz HJJGYZJFGANMFH-KCQAQPDRSA-N 0 3 383.460 0.036 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001576203639 950443879 /nfs/dbraw/zinc/44/38/79/950443879.db2.gz HJJGYZJFGANMFH-KCQAQPDRSA-N 0 3 383.460 0.036 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576204345 950464616 /nfs/dbraw/zinc/46/46/16/950464616.db2.gz OGBJPYWYHGNDDC-KPZWWZAWSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576204345 950464633 /nfs/dbraw/zinc/46/46/33/950464633.db2.gz OGBJPYWYHGNDDC-KPZWWZAWSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NC2(CNc3cncc(-c4nnn[n-]4)n3)CCCC2)C1 ZINC001576204652 950468479 /nfs/dbraw/zinc/46/84/79/950468479.db2.gz QZTYBRJTABAWIP-CYBMUJFWSA-N 0 3 385.476 0.839 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NC2(CNc3cncc(-c4nnn[n-]4)n3)CCCC2)C1 ZINC001576204652 950468494 /nfs/dbraw/zinc/46/84/94/950468494.db2.gz QZTYBRJTABAWIP-CYBMUJFWSA-N 0 3 385.476 0.839 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001574993904 950470756 /nfs/dbraw/zinc/47/07/56/950470756.db2.gz NHLGVIMBHXHWHF-DGCLKSJQSA-N 0 3 383.412 0.743 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001574993904 950470764 /nfs/dbraw/zinc/47/07/64/950470764.db2.gz NHLGVIMBHXHWHF-DGCLKSJQSA-N 0 3 383.412 0.743 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)COc1ccccc1 ZINC001574994458 950480315 /nfs/dbraw/zinc/48/03/15/950480315.db2.gz RKDBOYKMILUIQB-OCCSQVGLSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)COc1ccccc1 ZINC001574994458 950480355 /nfs/dbraw/zinc/48/03/55/950480355.db2.gz RKDBOYKMILUIQB-OCCSQVGLSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574508524 950481217 /nfs/dbraw/zinc/48/12/17/950481217.db2.gz PCIMTJAYWAJODO-MELADBBJSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574509039 950494110 /nfs/dbraw/zinc/49/41/10/950494110.db2.gz OKXOLVZNMOFURE-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CN1CCOCC1 ZINC001575914747 950501447 /nfs/dbraw/zinc/50/14/47/950501447.db2.gz VURIENPSAOSUEJ-YOEHRIQHSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CN1CCOCC1 ZINC001575914747 950501463 /nfs/dbraw/zinc/50/14/63/950501463.db2.gz VURIENPSAOSUEJ-YOEHRIQHSA-N 0 3 385.472 0.278 20 0 GCADHN CC(C)(C)OCC(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573866679 950509044 /nfs/dbraw/zinc/50/90/44/950509044.db2.gz IMPLQUAGDYTXAQ-MRXNPFEDSA-N 0 3 388.472 0.999 20 0 GCADHN CC(C)(C)OCC(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573866679 950509063 /nfs/dbraw/zinc/50/90/63/950509063.db2.gz IMPLQUAGDYTXAQ-MRXNPFEDSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575915932 950523546 /nfs/dbraw/zinc/52/35/46/950523546.db2.gz YEHNYHDWWWVUNQ-LRDDRELGSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575915932 950523572 /nfs/dbraw/zinc/52/35/72/950523572.db2.gz YEHNYHDWWWVUNQ-LRDDRELGSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cnnn1 ZINC001575915949 950523859 /nfs/dbraw/zinc/52/38/59/950523859.db2.gz YJGPQDYTSYZPGQ-SWLSCSKDSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cnnn1 ZINC001575915949 950523878 /nfs/dbraw/zinc/52/38/78/950523878.db2.gz YJGPQDYTSYZPGQ-SWLSCSKDSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574753535 950526791 /nfs/dbraw/zinc/52/67/91/950526791.db2.gz ORPVXLMKHQWWBQ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574753535 950526805 /nfs/dbraw/zinc/52/68/05/950526805.db2.gz ORPVXLMKHQWWBQ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574753548 950531379 /nfs/dbraw/zinc/53/13/79/950531379.db2.gz PADWHDNQIKPNFX-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916440 950540183 /nfs/dbraw/zinc/54/01/83/950540183.db2.gz ZUYOYJJZJBTFCG-FZMZJTMJSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916440 950540198 /nfs/dbraw/zinc/54/01/98/950540198.db2.gz ZUYOYJJZJBTFCG-FZMZJTMJSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574998819 950558410 /nfs/dbraw/zinc/55/84/10/950558410.db2.gz AVKDFXDTZHUAOI-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574998819 950558433 /nfs/dbraw/zinc/55/84/33/950558433.db2.gz AVKDFXDTZHUAOI-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574999086 950569804 /nfs/dbraw/zinc/56/98/04/950569804.db2.gz FZSVTGRWCKKIGS-JTQLQIEISA-N 0 3 385.453 0.935 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574999086 950569819 /nfs/dbraw/zinc/56/98/19/950569819.db2.gz FZSVTGRWCKKIGS-JTQLQIEISA-N 0 3 385.453 0.935 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576207382 950597112 /nfs/dbraw/zinc/59/71/12/950597112.db2.gz GQMGKUUWAXMEOZ-JLNYLFASSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576207382 950597138 /nfs/dbraw/zinc/59/71/38/950597138.db2.gz GQMGKUUWAXMEOZ-JLNYLFASSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)C1 ZINC001576207716 950600010 /nfs/dbraw/zinc/60/00/10/950600010.db2.gz IWGNPBFQCMBBCE-DGAVXFQQSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)C1 ZINC001576207716 950600026 /nfs/dbraw/zinc/60/00/26/950600026.db2.gz IWGNPBFQCMBBCE-DGAVXFQQSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575000529 950607415 /nfs/dbraw/zinc/60/74/15/950607415.db2.gz QGKWZGGGVCFZHQ-SNVBAGLBSA-N 0 3 385.453 0.935 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573871410 950619229 /nfs/dbraw/zinc/61/92/29/950619229.db2.gz PYNWJJHWMNHMCO-GFCCVEGCSA-N 0 3 380.424 0.388 20 0 GCADHN C[C@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574760772 950680032 /nfs/dbraw/zinc/68/00/32/950680032.db2.gz ZQGIPQYREWDAES-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574760772 950680047 /nfs/dbraw/zinc/68/00/47/950680047.db2.gz ZQGIPQYREWDAES-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575008717 950753307 /nfs/dbraw/zinc/75/33/07/950753307.db2.gz HEOGSDBSGKRFJR-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575008717 950753321 /nfs/dbraw/zinc/75/33/21/950753321.db2.gz HEOGSDBSGKRFJR-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575008717 950753335 /nfs/dbraw/zinc/75/33/35/950753335.db2.gz HEOGSDBSGKRFJR-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575008717 950753351 /nfs/dbraw/zinc/75/33/51/950753351.db2.gz HEOGSDBSGKRFJR-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574520896 950757387 /nfs/dbraw/zinc/75/73/87/950757387.db2.gz AWLRSOXGXIDJEY-CABCVRRESA-N 0 3 387.488 0.572 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574520896 950757400 /nfs/dbraw/zinc/75/74/00/950757400.db2.gz AWLRSOXGXIDJEY-CABCVRRESA-N 0 3 387.488 0.572 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001575008880 950762951 /nfs/dbraw/zinc/76/29/51/950762951.db2.gz JOSGDEAGCMIFRU-QWRGUYRKSA-N 0 3 376.465 0.454 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCC[NH+](C)C ZINC001574521058 950766968 /nfs/dbraw/zinc/76/69/68/950766968.db2.gz CSEZSAUYLDQVAI-RYUDHWBXSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCC[NH+](C)C ZINC001574521058 950766988 /nfs/dbraw/zinc/76/69/88/950766988.db2.gz CSEZSAUYLDQVAI-RYUDHWBXSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CNC(=O)C1CC1 ZINC001574521111 950770957 /nfs/dbraw/zinc/77/09/57/950770957.db2.gz DDHNJIVBVUHUMI-STQMWFEESA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CNC(=O)C1CC1 ZINC001574521111 950770969 /nfs/dbraw/zinc/77/09/69/950770969.db2.gz DDHNJIVBVUHUMI-STQMWFEESA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574521364 950773762 /nfs/dbraw/zinc/77/37/62/950773762.db2.gz FSBRKDHMPWYCLS-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574521364 950773775 /nfs/dbraw/zinc/77/37/75/950773775.db2.gz FSBRKDHMPWYCLS-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)Cn1ncnn1 ZINC001574521334 950776875 /nfs/dbraw/zinc/77/68/75/950776875.db2.gz FLWWFKMUGNNPPV-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)Cn1ncnn1 ZINC001574521334 950776885 /nfs/dbraw/zinc/77/68/85/950776885.db2.gz FLWWFKMUGNNPPV-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575009242 950778791 /nfs/dbraw/zinc/77/87/91/950778791.db2.gz QQUVGNLPRGABSG-YPMHNXCESA-N 0 3 386.460 0.019 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575009242 950778805 /nfs/dbraw/zinc/77/88/05/950778805.db2.gz QQUVGNLPRGABSG-YPMHNXCESA-N 0 3 386.460 0.019 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)Cn1cnnn1 ZINC001574523406 950814044 /nfs/dbraw/zinc/81/40/44/950814044.db2.gz MYGPNQBTTLOSKV-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574523436 950815081 /nfs/dbraw/zinc/81/50/81/950815081.db2.gz NOQATIKHHUAXBX-RYUDHWBXSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CCn1cnnn1 ZINC001574523960 950839979 /nfs/dbraw/zinc/83/99/79/950839979.db2.gz SPKVNHXVIPOVOO-CHWSQXEVSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CCn1cnnn1 ZINC001574523960 950840002 /nfs/dbraw/zinc/84/00/02/950840002.db2.gz SPKVNHXVIPOVOO-CHWSQXEVSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574524665 950866085 /nfs/dbraw/zinc/86/60/85/950866085.db2.gz YFPZCXWDVHYNAV-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574524665 950866109 /nfs/dbraw/zinc/86/61/09/950866109.db2.gz YFPZCXWDVHYNAV-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001575011977 950872947 /nfs/dbraw/zinc/87/29/47/950872947.db2.gz VBKBVRLVASHPHE-HIFRSBDPSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001575011977 950872968 /nfs/dbraw/zinc/87/29/68/950872968.db2.gz VBKBVRLVASHPHE-HIFRSBDPSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)c1cnn(C)n1 ZINC001574527480 950891787 /nfs/dbraw/zinc/89/17/87/950891787.db2.gz CFIRIXYGWGVEFW-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)c1cnn(C)n1 ZINC001574527480 950891793 /nfs/dbraw/zinc/89/17/93/950891793.db2.gz CFIRIXYGWGVEFW-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]CCCN1CCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527768 950903884 /nfs/dbraw/zinc/90/38/84/950903884.db2.gz GXJNKCHBLLVMAA-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]CCCN1CCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527768 950903904 /nfs/dbraw/zinc/90/39/04/950903904.db2.gz GXJNKCHBLLVMAA-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)c1cnn(C)n1 ZINC001574527923 950913120 /nfs/dbraw/zinc/91/31/20/950913120.db2.gz IOYWXZZERQWNFM-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)c1cnn(C)n1 ZINC001574527923 950913137 /nfs/dbraw/zinc/91/31/37/950913137.db2.gz IOYWXZZERQWNFM-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575017359 950991521 /nfs/dbraw/zinc/99/15/21/950991521.db2.gz DPAJBFDPOXYCGA-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575017359 950991537 /nfs/dbraw/zinc/99/15/37/950991537.db2.gz DPAJBFDPOXYCGA-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575017359 950991549 /nfs/dbraw/zinc/99/15/49/950991549.db2.gz DPAJBFDPOXYCGA-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575017359 950991564 /nfs/dbraw/zinc/99/15/64/950991564.db2.gz DPAJBFDPOXYCGA-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001575017512 950997913 /nfs/dbraw/zinc/99/79/13/950997913.db2.gz KYNXDIWFLUFJBX-SMDDNHRTSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001575017512 950997928 /nfs/dbraw/zinc/99/79/28/950997928.db2.gz KYNXDIWFLUFJBX-SMDDNHRTSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cn(C)nn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574530859 950999358 /nfs/dbraw/zinc/99/93/58/950999358.db2.gz YBUDQDRKHHATHE-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cn(C)nn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574530859 950999374 /nfs/dbraw/zinc/99/93/74/950999374.db2.gz YBUDQDRKHHATHE-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574774453 951000750 /nfs/dbraw/zinc/00/07/50/951000750.db2.gz CSLVTEIJMOSCOK-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574774452 951002158 /nfs/dbraw/zinc/00/21/58/951002158.db2.gz CSLVTEIJMOSCOK-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575018616 951020533 /nfs/dbraw/zinc/02/05/33/951020533.db2.gz MTNFXANSENLXNU-LBPRGKRZSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575018616 951020545 /nfs/dbraw/zinc/02/05/45/951020545.db2.gz MTNFXANSENLXNU-LBPRGKRZSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575019055 951029825 /nfs/dbraw/zinc/02/98/25/951029825.db2.gz QHGULUDCDPNGQW-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575019055 951029838 /nfs/dbraw/zinc/02/98/38/951029838.db2.gz QHGULUDCDPNGQW-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575019810 951044155 /nfs/dbraw/zinc/04/41/55/951044155.db2.gz VTGLCJJDRYHOCQ-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575020096 951050708 /nfs/dbraw/zinc/05/07/08/951050708.db2.gz YFRAMWDWWOZJHD-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575020096 951050720 /nfs/dbraw/zinc/05/07/20/951050720.db2.gz YFRAMWDWWOZJHD-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575020096 951050733 /nfs/dbraw/zinc/05/07/33/951050733.db2.gz YFRAMWDWWOZJHD-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575020096 951050745 /nfs/dbraw/zinc/05/07/45/951050745.db2.gz YFRAMWDWWOZJHD-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575021579 951063409 /nfs/dbraw/zinc/06/34/09/951063409.db2.gz DGUQCZAQXFHBCQ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575021579 951063415 /nfs/dbraw/zinc/06/34/15/951063415.db2.gz DGUQCZAQXFHBCQ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575021579 951063425 /nfs/dbraw/zinc/06/34/25/951063425.db2.gz DGUQCZAQXFHBCQ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575021579 951063433 /nfs/dbraw/zinc/06/34/33/951063433.db2.gz DGUQCZAQXFHBCQ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575022706 951071327 /nfs/dbraw/zinc/07/13/27/951071327.db2.gz ILIYMBZBDIDGFH-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575025883 951135242 /nfs/dbraw/zinc/13/52/42/951135242.db2.gz CLFCKVIJIXJGTB-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575025883 951135250 /nfs/dbraw/zinc/13/52/50/951135250.db2.gz CLFCKVIJIXJGTB-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1ccnc2c1nnn2C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575035577 951280573 /nfs/dbraw/zinc/28/05/73/951280573.db2.gz YCNVLIGUWLADEP-NSHDSACASA-N 0 3 392.427 0.452 20 0 GCADHN C[C@@H](CNC(=O)c1ccnc2c1nnn2C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575035577 951280582 /nfs/dbraw/zinc/28/05/82/951280582.db2.gz YCNVLIGUWLADEP-NSHDSACASA-N 0 3 392.427 0.452 20 0 GCADHN C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575035804 951283971 /nfs/dbraw/zinc/28/39/71/951283971.db2.gz LYQLIHNYWTYALQ-LLVKDONJSA-N 0 3 392.423 0.664 20 0 GCADHN C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575035804 951283983 /nfs/dbraw/zinc/28/39/83/951283983.db2.gz LYQLIHNYWTYALQ-LLVKDONJSA-N 0 3 392.423 0.664 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575042617 951365977 /nfs/dbraw/zinc/36/59/77/951365977.db2.gz LGCTUJFQIXQREV-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575043593 951400095 /nfs/dbraw/zinc/40/00/95/951400095.db2.gz KOKAMZHNCFWKEK-LBPRGKRZSA-N 0 3 381.444 0.631 20 0 GCADHN C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575043593 951400109 /nfs/dbraw/zinc/40/01/09/951400109.db2.gz KOKAMZHNCFWKEK-LBPRGKRZSA-N 0 3 381.444 0.631 20 0 GCADHN C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575044384 951414177 /nfs/dbraw/zinc/41/41/77/951414177.db2.gz RQFMVWYRAGYBIW-LBPRGKRZSA-N 0 3 381.444 0.631 20 0 GCADHN C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575044384 951414187 /nfs/dbraw/zinc/41/41/87/951414187.db2.gz RQFMVWYRAGYBIW-LBPRGKRZSA-N 0 3 381.444 0.631 20 0 GCADHN C[C@@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575044807 951417626 /nfs/dbraw/zinc/41/76/26/951417626.db2.gz VKUAGFMDGYRXSR-LBPRGKRZSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575044807 951417631 /nfs/dbraw/zinc/41/76/31/951417631.db2.gz VKUAGFMDGYRXSR-LBPRGKRZSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cnc2n[nH]nc2c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575044966 951422622 /nfs/dbraw/zinc/42/26/22/951422622.db2.gz YHFOGTTYTAYFQU-JTQLQIEISA-N 0 3 378.400 0.441 20 0 GCADHN C[C@@H](CNC(=O)c1cnc2n[nH]nc2c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575044966 951422627 /nfs/dbraw/zinc/42/26/27/951422627.db2.gz YHFOGTTYTAYFQU-JTQLQIEISA-N 0 3 378.400 0.441 20 0 GCADHN C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575067789 951623555 /nfs/dbraw/zinc/62/35/55/951623555.db2.gz ZAMUUIVIMQMEDP-NSHDSACASA-N 0 3 384.448 0.516 20 0 GCADHN C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575067789 951623558 /nfs/dbraw/zinc/62/35/58/951623558.db2.gz ZAMUUIVIMQMEDP-NSHDSACASA-N 0 3 384.448 0.516 20 0 GCADHN C[C@@H](C[NH2+][C@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575068546 951633629 /nfs/dbraw/zinc/63/36/29/951633629.db2.gz AKPMGLDSHYJINA-AAEUAGOBSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001575068542 951634021 /nfs/dbraw/zinc/63/40/21/951634021.db2.gz AISSVSGOMKFYIJ-QWHCGFSZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077020 951658326 /nfs/dbraw/zinc/65/83/26/951658326.db2.gz AUKIAJSIBORPCR-JTQLQIEISA-N 0 3 386.391 0.245 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077020 951658331 /nfs/dbraw/zinc/65/83/31/951658331.db2.gz AUKIAJSIBORPCR-JTQLQIEISA-N 0 3 386.391 0.245 20 0 GCADHN C[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575077034 951660711 /nfs/dbraw/zinc/66/07/11/951660711.db2.gz AYXSWYFHTOUHMF-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575077034 951660717 /nfs/dbraw/zinc/66/07/17/951660717.db2.gz AYXSWYFHTOUHMF-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077045 951660859 /nfs/dbraw/zinc/66/08/59/951660859.db2.gz BBQZPTYYNWGLNX-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077045 951660867 /nfs/dbraw/zinc/66/08/67/951660867.db2.gz BBQZPTYYNWGLNX-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575077027 951661085 /nfs/dbraw/zinc/66/10/85/951661085.db2.gz AXYOVXIZVCNRIK-WPRPVWTQSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575077027 951661092 /nfs/dbraw/zinc/66/10/92/951661092.db2.gz AXYOVXIZVCNRIK-WPRPVWTQSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@@](C[NH2+]CCNC(=O)C1CC1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575077149 951661854 /nfs/dbraw/zinc/66/18/54/951661854.db2.gz DHWSTISJNZPOKF-SFHVURJKSA-N 0 3 386.460 0.209 20 0 GCADHN C[C@@](C[NH2+]CCNC(=O)C1CC1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575077149 951661857 /nfs/dbraw/zinc/66/18/57/951661857.db2.gz DHWSTISJNZPOKF-SFHVURJKSA-N 0 3 386.460 0.209 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077119 951662290 /nfs/dbraw/zinc/66/22/90/951662290.db2.gz CNMLIJGHUWKZEZ-YGRLFVJLSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077119 951662297 /nfs/dbraw/zinc/66/22/97/951662297.db2.gz CNMLIJGHUWKZEZ-YGRLFVJLSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077117 951662986 /nfs/dbraw/zinc/66/29/86/951662986.db2.gz CNMLIJGHUWKZEZ-IINYFYTJSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077117 951662992 /nfs/dbraw/zinc/66/29/92/951662992.db2.gz CNMLIJGHUWKZEZ-IINYFYTJSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077252 951664305 /nfs/dbraw/zinc/66/43/05/951664305.db2.gz BGCZXZYMPWGSSG-NEPJUHHUSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077252 951664311 /nfs/dbraw/zinc/66/43/11/951664311.db2.gz BGCZXZYMPWGSSG-NEPJUHHUSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575077306 951666185 /nfs/dbraw/zinc/66/61/85/951666185.db2.gz FNVGUVIETUKABQ-BBRMVZONSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575077306 951666194 /nfs/dbraw/zinc/66/61/94/951666194.db2.gz FNVGUVIETUKABQ-BBRMVZONSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H](C)n1cncn1 ZINC001575077435 951669115 /nfs/dbraw/zinc/66/91/15/951669115.db2.gz CPDYAJLMLZSQIP-VXGBXAGGSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]Cc1cc(CO)ccc1F ZINC001575077568 951670620 /nfs/dbraw/zinc/67/06/20/951670620.db2.gz GULMOOVQEMLCFF-LLVKDONJSA-N 0 3 387.419 0.982 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]Cc1cc(CO)ccc1F ZINC001575077568 951670631 /nfs/dbraw/zinc/67/06/31/951670631.db2.gz GULMOOVQEMLCFF-LLVKDONJSA-N 0 3 387.419 0.982 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077513 951670895 /nfs/dbraw/zinc/67/08/95/951670895.db2.gz FYORYVCIUQYZLP-QMTHXVAHSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077513 951670906 /nfs/dbraw/zinc/67/09/06/951670906.db2.gz FYORYVCIUQYZLP-QMTHXVAHSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575077665 951672213 /nfs/dbraw/zinc/67/22/13/951672213.db2.gz HWNSRRJRGKLBOK-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575077665 951672218 /nfs/dbraw/zinc/67/22/18/951672218.db2.gz HWNSRRJRGKLBOK-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077867 951676010 /nfs/dbraw/zinc/67/60/10/951676010.db2.gz JCUDTZCUBHJMSV-MNOVXSKESA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077867 951676018 /nfs/dbraw/zinc/67/60/18/951676018.db2.gz JCUDTZCUBHJMSV-MNOVXSKESA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CN1CCCC1=O ZINC001575078431 951680958 /nfs/dbraw/zinc/68/09/58/951680958.db2.gz LNGOVNNXBAMKTR-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078578 951682823 /nfs/dbraw/zinc/68/28/23/951682823.db2.gz KTRMTAAJWJNWEP-MNOVXSKESA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078578 951682825 /nfs/dbraw/zinc/68/28/25/951682825.db2.gz KTRMTAAJWJNWEP-MNOVXSKESA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575078987 951686132 /nfs/dbraw/zinc/68/61/32/951686132.db2.gz OKMRFTPGYSBSTO-FZMZJTMJSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079079 951687088 /nfs/dbraw/zinc/68/70/88/951687088.db2.gz PPKBGPYMRVAKLJ-XHDPSFHLSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079079 951687094 /nfs/dbraw/zinc/68/70/94/951687094.db2.gz PPKBGPYMRVAKLJ-XHDPSFHLSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575079010 951687548 /nfs/dbraw/zinc/68/75/48/951687548.db2.gz ONCGZJXMXUJEHJ-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CN1CCCC1=O ZINC001575079405 951690651 /nfs/dbraw/zinc/69/06/51/951690651.db2.gz DNRCFAFLTDPYDX-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CN1CCCC1=O ZINC001575079405 951690657 /nfs/dbraw/zinc/69/06/57/951690657.db2.gz DNRCFAFLTDPYDX-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079379 951691336 /nfs/dbraw/zinc/69/13/36/951691336.db2.gz DFRXXQZSZOUPEN-DGCLKSJQSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079379 951691346 /nfs/dbraw/zinc/69/13/46/951691346.db2.gz DFRXXQZSZOUPEN-DGCLKSJQSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079786 951698193 /nfs/dbraw/zinc/69/81/93/951698193.db2.gz OUCJSVIIFRDNCP-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079786 951698197 /nfs/dbraw/zinc/69/81/97/951698197.db2.gz OUCJSVIIFRDNCP-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCn1cncn1 ZINC001575079870 951699580 /nfs/dbraw/zinc/69/95/80/951699580.db2.gz RQZJUSOWGMILNP-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)Cc1ccn(C)n1 ZINC001575080000 951700563 /nfs/dbraw/zinc/70/05/63/951700563.db2.gz IPXSUOIMHINXJD-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)Cc1ccn(C)n1 ZINC001575080000 951700569 /nfs/dbraw/zinc/70/05/69/951700569.db2.gz IPXSUOIMHINXJD-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)c1cnc[nH]c1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079988 951701321 /nfs/dbraw/zinc/70/13/21/951701321.db2.gz IKKNCDYVKQKTCO-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCn1cnnn1 ZINC001575080057 951702526 /nfs/dbraw/zinc/70/25/26/951702526.db2.gz KAERLLIUTCDHAF-NSHDSACASA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCn1cnnn1 ZINC001575080057 951702535 /nfs/dbraw/zinc/70/25/35/951702535.db2.gz KAERLLIUTCDHAF-NSHDSACASA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080055 951702734 /nfs/dbraw/zinc/70/27/34/951702734.db2.gz JXLMSDSJPOTWOY-SNVBAGLBSA-N 0 3 387.423 0.477 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080055 951702737 /nfs/dbraw/zinc/70/27/37/951702737.db2.gz JXLMSDSJPOTWOY-SNVBAGLBSA-N 0 3 387.423 0.477 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575080058 951703441 /nfs/dbraw/zinc/70/34/41/951703441.db2.gz KARGSQBLSVDRBE-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575080058 951703446 /nfs/dbraw/zinc/70/34/46/951703446.db2.gz KARGSQBLSVDRBE-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080380 951708299 /nfs/dbraw/zinc/70/82/99/951708299.db2.gz KLYUFAUEWQQCST-ABAIWWIYSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080380 951708311 /nfs/dbraw/zinc/70/83/11/951708311.db2.gz KLYUFAUEWQQCST-ABAIWWIYSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575080678 951712639 /nfs/dbraw/zinc/71/26/39/951712639.db2.gz MPDCQBPTINJIRI-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575080678 951712650 /nfs/dbraw/zinc/71/26/50/951712650.db2.gz MPDCQBPTINJIRI-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575080741 951714383 /nfs/dbraw/zinc/71/43/83/951714383.db2.gz NIUQZLGLPZTTBV-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575080741 951714388 /nfs/dbraw/zinc/71/43/88/951714388.db2.gz NIUQZLGLPZTTBV-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1COCCO1 ZINC001575080807 951716304 /nfs/dbraw/zinc/71/63/04/951716304.db2.gz ZQCDLYGTHVOELM-XHDPSFHLSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C1=COCCO1 ZINC001575080906 951717866 /nfs/dbraw/zinc/71/78/66/951717866.db2.gz OICKJUHQRGLRGZ-NSHDSACASA-N 0 3 376.392 0.831 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C1=COCCO1 ZINC001575080906 951717874 /nfs/dbraw/zinc/71/78/74/951717874.db2.gz OICKJUHQRGLRGZ-NSHDSACASA-N 0 3 376.392 0.831 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCn1cncn1 ZINC001575081224 951721196 /nfs/dbraw/zinc/72/11/96/951721196.db2.gz QDUYHRHUGZEKRQ-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCn1cncn1 ZINC001575081224 951721208 /nfs/dbraw/zinc/72/12/08/951721208.db2.gz QDUYHRHUGZEKRQ-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081342 951721982 /nfs/dbraw/zinc/72/19/82/951721982.db2.gz TYIIZAIMJRMUQP-CYBMUJFWSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081342 951721989 /nfs/dbraw/zinc/72/19/89/951721989.db2.gz TYIIZAIMJRMUQP-CYBMUJFWSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081372 951722217 /nfs/dbraw/zinc/72/22/17/951722217.db2.gz UCLZNIRNSWBESE-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081372 951722223 /nfs/dbraw/zinc/72/22/23/951722223.db2.gz UCLZNIRNSWBESE-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081944 951729791 /nfs/dbraw/zinc/72/97/91/951729791.db2.gz WUJPNCOXHGNXPK-VXGBXAGGSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081944 951729798 /nfs/dbraw/zinc/72/97/98/951729798.db2.gz WUJPNCOXHGNXPK-VXGBXAGGSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082717 951738400 /nfs/dbraw/zinc/73/84/00/951738400.db2.gz YTEIAYSITRPBOF-NEPJUHHUSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082717 951738407 /nfs/dbraw/zinc/73/84/07/951738407.db2.gz YTEIAYSITRPBOF-NEPJUHHUSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575088484 951739114 /nfs/dbraw/zinc/73/91/14/951739114.db2.gz ACLDVEYZTZYOIJ-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CNC(=O)CCN1CCCC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089330 951748196 /nfs/dbraw/zinc/74/81/96/951748196.db2.gz GDOJDTAGCZGKMF-CQSZACIVSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@@H](CNC(=O)CCN1CCCC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089330 951748198 /nfs/dbraw/zinc/74/81/98/951748198.db2.gz GDOJDTAGCZGKMF-CQSZACIVSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575091601 951780715 /nfs/dbraw/zinc/78/07/15/951780715.db2.gz SOVQHPVRJXFLRX-KDOFPFPSSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575091601 951780717 /nfs/dbraw/zinc/78/07/17/951780717.db2.gz SOVQHPVRJXFLRX-KDOFPFPSSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091819 951784120 /nfs/dbraw/zinc/78/41/20/951784120.db2.gz VCZJNASLKJLLJZ-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091819 951784124 /nfs/dbraw/zinc/78/41/24/951784124.db2.gz VCZJNASLKJLLJZ-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CCCn1cncn1 ZINC001575092166 951790058 /nfs/dbraw/zinc/79/00/58/951790058.db2.gz ANXYTOIKPGOWMX-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CCCn1cncn1 ZINC001575092166 951790066 /nfs/dbraw/zinc/79/00/66/951790066.db2.gz ANXYTOIKPGOWMX-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CCN1CCCC1=O ZINC001575093292 951799300 /nfs/dbraw/zinc/79/93/00/951799300.db2.gz HQUXWINVHHRPSH-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CCN1CCCC1=O ZINC001575093292 951799304 /nfs/dbraw/zinc/79/93/04/951799304.db2.gz HQUXWINVHHRPSH-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575093446 951800862 /nfs/dbraw/zinc/80/08/62/951800862.db2.gz JWDUSSRMMCBMQJ-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575093446 951800866 /nfs/dbraw/zinc/80/08/66/951800866.db2.gz JWDUSSRMMCBMQJ-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)Cn1ccccc1=O ZINC001575094298 951803437 /nfs/dbraw/zinc/80/34/37/951803437.db2.gz MQMSJEFUQHOMFT-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)Cn1ccccc1=O ZINC001575094298 951803450 /nfs/dbraw/zinc/80/34/50/951803450.db2.gz MQMSJEFUQHOMFT-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575094364 951803762 /nfs/dbraw/zinc/80/37/62/951803762.db2.gz NEXNHDNJSBHETK-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575094364 951803775 /nfs/dbraw/zinc/80/37/75/951803775.db2.gz NEXNHDNJSBHETK-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575094699 951803890 /nfs/dbraw/zinc/80/38/90/951803890.db2.gz NLZWQZLQNDUGAT-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575094699 951803898 /nfs/dbraw/zinc/80/38/98/951803898.db2.gz NLZWQZLQNDUGAT-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575095450 951811555 /nfs/dbraw/zinc/81/15/55/951811555.db2.gz TZTAOPKJYUQVIE-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575095450 951811558 /nfs/dbraw/zinc/81/15/58/951811558.db2.gz TZTAOPKJYUQVIE-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001575098108 951819530 /nfs/dbraw/zinc/81/95/30/951819530.db2.gz ASJZSTDUZIXEJK-AAEUAGOBSA-N 0 3 379.490 0.195 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575101490 951859276 /nfs/dbraw/zinc/85/92/76/951859276.db2.gz FSXHRFDFDZQSQR-RYUDHWBXSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575101490 951859278 /nfs/dbraw/zinc/85/92/78/951859278.db2.gz FSXHRFDFDZQSQR-RYUDHWBXSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101697 951863241 /nfs/dbraw/zinc/86/32/41/951863241.db2.gz ILRIRFZVCFULOQ-VOJFVSQTSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101697 951863250 /nfs/dbraw/zinc/86/32/50/951863250.db2.gz ILRIRFZVCFULOQ-VOJFVSQTSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102404 951868505 /nfs/dbraw/zinc/86/85/05/951868505.db2.gz MOTWZTGWYJTNKK-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102404 951868512 /nfs/dbraw/zinc/86/85/12/951868512.db2.gz MOTWZTGWYJTNKK-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103365 951876026 /nfs/dbraw/zinc/87/60/26/951876026.db2.gz SSUIFIQKUOHVRQ-NEPJUHHUSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103365 951876035 /nfs/dbraw/zinc/87/60/35/951876035.db2.gz SSUIFIQKUOHVRQ-NEPJUHHUSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001575103617 951876139 /nfs/dbraw/zinc/87/61/39/951876139.db2.gz UOYFFWLLPGTGLG-GHMZBOCLSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001575103617 951876145 /nfs/dbraw/zinc/87/61/45/951876145.db2.gz UOYFFWLLPGTGLG-GHMZBOCLSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575103711 951876800 /nfs/dbraw/zinc/87/68/00/951876800.db2.gz VIYAQFVOCWDVTA-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575103711 951876809 /nfs/dbraw/zinc/87/68/09/951876809.db2.gz VIYAQFVOCWDVTA-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103682 951877927 /nfs/dbraw/zinc/87/79/27/951877927.db2.gz VEWGICSZVFQEGY-PIGZYNQJSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103682 951877931 /nfs/dbraw/zinc/87/79/31/951877931.db2.gz VEWGICSZVFQEGY-PIGZYNQJSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575103717 951878198 /nfs/dbraw/zinc/87/81/98/951878198.db2.gz VIYAQFVOCWDVTA-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575103717 951878201 /nfs/dbraw/zinc/87/82/01/951878201.db2.gz VIYAQFVOCWDVTA-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001575104210 951883719 /nfs/dbraw/zinc/88/37/19/951883719.db2.gz YCPWEEDPSOSHHM-VIFPVBQESA-N 0 3 376.446 0.618 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575104433 951885889 /nfs/dbraw/zinc/88/58/89/951885889.db2.gz CHYXJGDZLQMNHG-JLLWLGSASA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575104433 951885896 /nfs/dbraw/zinc/88/58/96/951885896.db2.gz CHYXJGDZLQMNHG-JLLWLGSASA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001575104879 951890343 /nfs/dbraw/zinc/89/03/43/951890343.db2.gz FYVXAGIYWOMUAZ-BLLLJJGKSA-N 0 3 391.451 0.273 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001575105225 951892036 /nfs/dbraw/zinc/89/20/36/951892036.db2.gz IBTGHVKPJQWAHU-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575105450 951893020 /nfs/dbraw/zinc/89/30/20/951893020.db2.gz JVSDIZIIJKJUPN-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575105450 951893025 /nfs/dbraw/zinc/89/30/25/951893025.db2.gz JVSDIZIIJKJUPN-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001575105424 951894084 /nfs/dbraw/zinc/89/40/84/951894084.db2.gz JFCFXUICAQVAEX-HNAYVOBHSA-N 0 3 383.456 0.377 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001575105424 951894092 /nfs/dbraw/zinc/89/40/92/951894092.db2.gz JFCFXUICAQVAEX-HNAYVOBHSA-N 0 3 383.456 0.377 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105825 951900276 /nfs/dbraw/zinc/90/02/76/951900276.db2.gz OHAQTLGFJNSTOV-BFUOFWGJSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105825 951900288 /nfs/dbraw/zinc/90/02/88/951900288.db2.gz OHAQTLGFJNSTOV-BFUOFWGJSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575106557 951904318 /nfs/dbraw/zinc/90/43/18/951904318.db2.gz SDFBRYLAQZYCJB-GOSISDBHSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575106557 951904329 /nfs/dbraw/zinc/90/43/29/951904329.db2.gz SDFBRYLAQZYCJB-GOSISDBHSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575106890 951909411 /nfs/dbraw/zinc/90/94/11/951909411.db2.gz VYUPDIZMZYRNRK-ZANVPECISA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575106890 951909417 /nfs/dbraw/zinc/90/94/17/951909417.db2.gz VYUPDIZMZYRNRK-ZANVPECISA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cn1ccccc1=O ZINC001575107913 951920403 /nfs/dbraw/zinc/92/04/03/951920403.db2.gz IMRREWNGZWBUED-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cn1ccccc1=O ZINC001575107913 951920405 /nfs/dbraw/zinc/92/04/05/951920405.db2.gz IMRREWNGZWBUED-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cn1ccccc1=O ZINC001575107912 951920928 /nfs/dbraw/zinc/92/09/28/951920928.db2.gz IMRREWNGZWBUED-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cn1ccccc1=O ZINC001575107912 951920934 /nfs/dbraw/zinc/92/09/34/951920934.db2.gz IMRREWNGZWBUED-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575107953 951922518 /nfs/dbraw/zinc/92/25/18/951922518.db2.gz JQDSPXSXHHEZPS-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575107953 951922522 /nfs/dbraw/zinc/92/25/22/951922522.db2.gz JQDSPXSXHHEZPS-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cccn(C)c1=O ZINC001575109587 951931530 /nfs/dbraw/zinc/93/15/30/951931530.db2.gz SZQKLUXYXJKSTJ-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cccn(C)c1=O ZINC001575109587 951931536 /nfs/dbraw/zinc/93/15/36/951931536.db2.gz SZQKLUXYXJKSTJ-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575109906 951935438 /nfs/dbraw/zinc/93/54/38/951935438.db2.gz VSWJOMOPVCDBOR-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575109906 951935440 /nfs/dbraw/zinc/93/54/40/951935440.db2.gz VSWJOMOPVCDBOR-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575110013 951935562 /nfs/dbraw/zinc/93/55/62/951935562.db2.gz XFNGIBSXIBCSBC-YOEHRIQHSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575110013 951935565 /nfs/dbraw/zinc/93/55/65/951935565.db2.gz XFNGIBSXIBCSBC-YOEHRIQHSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113590 951941056 /nfs/dbraw/zinc/94/10/56/951941056.db2.gz BVPRQQOPBKMLLA-GFCCVEGCSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113590 951941062 /nfs/dbraw/zinc/94/10/62/951941062.db2.gz BVPRQQOPBKMLLA-GFCCVEGCSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575113671 951942713 /nfs/dbraw/zinc/94/27/13/951942713.db2.gz CWZKKQXQCCBMEM-SFHVURJKSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575113671 951942720 /nfs/dbraw/zinc/94/27/20/951942720.db2.gz CWZKKQXQCCBMEM-SFHVURJKSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113829 951946831 /nfs/dbraw/zinc/94/68/31/951946831.db2.gz GTKMFKPSEXLCAV-DOMZBBRYSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113829 951946837 /nfs/dbraw/zinc/94/68/37/951946837.db2.gz GTKMFKPSEXLCAV-DOMZBBRYSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113824 951947803 /nfs/dbraw/zinc/94/78/03/951947803.db2.gz GSODUWKZULDHNK-LBPRGKRZSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113824 951947811 /nfs/dbraw/zinc/94/78/11/951947811.db2.gz GSODUWKZULDHNK-LBPRGKRZSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113902 951949541 /nfs/dbraw/zinc/94/95/41/951949541.db2.gz HVEOMDGJGILMEK-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113902 951949546 /nfs/dbraw/zinc/94/95/46/951949546.db2.gz HVEOMDGJGILMEK-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575114096 951952131 /nfs/dbraw/zinc/95/21/31/951952131.db2.gz MPNULCCGUKETRH-LPHOPBHVSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575114096 951952136 /nfs/dbraw/zinc/95/21/36/951952136.db2.gz MPNULCCGUKETRH-LPHOPBHVSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114092 951952626 /nfs/dbraw/zinc/95/26/26/951952626.db2.gz MNXIHJFKAIHVCF-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114092 951952631 /nfs/dbraw/zinc/95/26/31/951952631.db2.gz MNXIHJFKAIHVCF-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114091 951953400 /nfs/dbraw/zinc/95/34/00/951953400.db2.gz MNXIHJFKAIHVCF-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114091 951953407 /nfs/dbraw/zinc/95/34/07/951953407.db2.gz MNXIHJFKAIHVCF-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114126 951954049 /nfs/dbraw/zinc/95/40/49/951954049.db2.gz NBNJHCVSQVYPBC-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114126 951954055 /nfs/dbraw/zinc/95/40/55/951954055.db2.gz NBNJHCVSQVYPBC-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575128202 952063683 /nfs/dbraw/zinc/06/36/83/952063683.db2.gz GQZVFTCVKACXCI-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575128202 952063691 /nfs/dbraw/zinc/06/36/91/952063691.db2.gz GQZVFTCVKACXCI-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN COC(=O)C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001571117174 952481052 /nfs/dbraw/zinc/48/10/52/952481052.db2.gz IAFFFSMHOQCQJX-MCIONIFRSA-N 0 3 375.429 0.737 20 0 GCADHN COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001571117174 952481058 /nfs/dbraw/zinc/48/10/58/952481058.db2.gz IAFFFSMHOQCQJX-MCIONIFRSA-N 0 3 375.429 0.737 20 0 GCADHN COC(=O)C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001571117174 952481063 /nfs/dbraw/zinc/48/10/63/952481063.db2.gz IAFFFSMHOQCQJX-MCIONIFRSA-N 0 3 375.429 0.737 20 0 GCADHN COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001571117174 952481070 /nfs/dbraw/zinc/48/10/70/952481070.db2.gz IAFFFSMHOQCQJX-MCIONIFRSA-N 0 3 375.429 0.737 20 0 GCADHN Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)nn1 ZINC001571120661 952507552 /nfs/dbraw/zinc/50/75/52/952507552.db2.gz OZMXOSRREKFYKZ-QLPKVWCKSA-N 0 3 376.424 0.825 20 0 GCADHN Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)nn1 ZINC001571120661 952507563 /nfs/dbraw/zinc/50/75/63/952507563.db2.gz OZMXOSRREKFYKZ-QLPKVWCKSA-N 0 3 376.424 0.825 20 0 GCADHN Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)nn1 ZINC001571120661 952507569 /nfs/dbraw/zinc/50/75/69/952507569.db2.gz OZMXOSRREKFYKZ-QLPKVWCKSA-N 0 3 376.424 0.825 20 0 GCADHN Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)nn1 ZINC001571120661 952507573 /nfs/dbraw/zinc/50/75/73/952507573.db2.gz OZMXOSRREKFYKZ-QLPKVWCKSA-N 0 3 376.424 0.825 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571123127 952529803 /nfs/dbraw/zinc/52/98/03/952529803.db2.gz PUJFWWPYHHEGSX-CMPLNLGQSA-N 0 3 376.852 0.880 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571123127 952529806 /nfs/dbraw/zinc/52/98/06/952529806.db2.gz PUJFWWPYHHEGSX-CMPLNLGQSA-N 0 3 376.852 0.880 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571123127 952529809 /nfs/dbraw/zinc/52/98/09/952529809.db2.gz PUJFWWPYHHEGSX-CMPLNLGQSA-N 0 3 376.852 0.880 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571123127 952529813 /nfs/dbraw/zinc/52/98/13/952529813.db2.gz PUJFWWPYHHEGSX-CMPLNLGQSA-N 0 3 376.852 0.880 20 0 GCADHN O=C(Cn1ccnc1)N1CCC[C@@H]2[C@@H]1CCN2c1ccncc1-c1nn[nH]n1 ZINC001571146258 952648267 /nfs/dbraw/zinc/64/82/67/952648267.db2.gz FGLAPHUFENIGIW-CVEARBPZSA-N 0 3 379.428 0.728 20 0 GCADHN O=C(Cn1cncn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571146695 952650965 /nfs/dbraw/zinc/65/09/65/952650965.db2.gz LPOCWTPAQRLHNN-GASCZTMLSA-N 0 3 379.428 0.049 20 0 GCADHN O=C(Cn1cncn1)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571146695 952650968 /nfs/dbraw/zinc/65/09/68/952650968.db2.gz LPOCWTPAQRLHNN-GASCZTMLSA-N 0 3 379.428 0.049 20 0 GCADHN O=C(Cn1cncn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571146695 952650970 /nfs/dbraw/zinc/65/09/70/952650970.db2.gz LPOCWTPAQRLHNN-GASCZTMLSA-N 0 3 379.428 0.049 20 0 GCADHN O=C(Cn1cncn1)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571146695 952650972 /nfs/dbraw/zinc/65/09/72/952650972.db2.gz LPOCWTPAQRLHNN-GASCZTMLSA-N 0 3 379.428 0.049 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)n1cncn1 ZINC001571147781 952663344 /nfs/dbraw/zinc/66/33/44/952663344.db2.gz QBTVVUHCOCEJBQ-FWYOQMDTSA-N 0 3 379.428 0.266 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)n1cncn1 ZINC001571147781 952663348 /nfs/dbraw/zinc/66/33/48/952663348.db2.gz QBTVVUHCOCEJBQ-FWYOQMDTSA-N 0 3 379.428 0.266 20 0 GCADHN Cc1nc(C(=O)N2C[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]3C2)c[nH]1 ZINC001571156033 952700794 /nfs/dbraw/zinc/70/07/94/952700794.db2.gz BDAHDPHXIYQOGW-BETUJISGSA-N 0 3 379.428 0.810 20 0 GCADHN COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)ncn1 ZINC001571157893 952708294 /nfs/dbraw/zinc/70/82/94/952708294.db2.gz BPWHHRAMOIRDLI-JOCQHMNTSA-N 0 3 380.412 0.716 20 0 GCADHN COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)ncn1 ZINC001571157893 952708299 /nfs/dbraw/zinc/70/82/99/952708299.db2.gz BPWHHRAMOIRDLI-JOCQHMNTSA-N 0 3 380.412 0.716 20 0 GCADHN O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571161252 952731777 /nfs/dbraw/zinc/73/17/77/952731777.db2.gz SQFKRSDUFUZPBE-CQSZACIVSA-N 0 3 380.412 0.757 20 0 GCADHN O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571161252 952731781 /nfs/dbraw/zinc/73/17/81/952731781.db2.gz SQFKRSDUFUZPBE-CQSZACIVSA-N 0 3 380.412 0.757 20 0 GCADHN C[C@H]1CN(C(=O)Cc2cncn2C)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571166625 952763154 /nfs/dbraw/zinc/76/31/54/952763154.db2.gz NSVLWEQKPMJOFC-SUMWQHHRSA-N 0 3 380.456 0.779 20 0 GCADHN C[C@H]1CN(C(=O)Cc2cncn2C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571166625 952763156 /nfs/dbraw/zinc/76/31/56/952763156.db2.gz NSVLWEQKPMJOFC-SUMWQHHRSA-N 0 3 380.456 0.779 20 0 GCADHN Cn1nccc1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571172252 952804701 /nfs/dbraw/zinc/80/47/01/952804701.db2.gz QUZCSFCIIHELJO-MRXNPFEDSA-N 0 3 380.456 0.924 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571181896 952866425 /nfs/dbraw/zinc/86/64/25/952866425.db2.gz ZKUFAIRZRRQDJD-CABCVRRESA-N 0 3 381.440 0.022 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571181896 952866431 /nfs/dbraw/zinc/86/64/31/952866431.db2.gz ZKUFAIRZRRQDJD-CABCVRRESA-N 0 3 381.440 0.022 20 0 GCADHN C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571183518 952878915 /nfs/dbraw/zinc/87/89/15/952878915.db2.gz CKZBVMIPAGBDSR-SWLSCSKDSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571183518 952878919 /nfs/dbraw/zinc/87/89/19/952878919.db2.gz CKZBVMIPAGBDSR-SWLSCSKDSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571184007 952887388 /nfs/dbraw/zinc/88/73/88/952887388.db2.gz OMLDSQFLPGOWHZ-CZUORRHYSA-N 0 3 381.444 0.343 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571184007 952887391 /nfs/dbraw/zinc/88/73/91/952887391.db2.gz OMLDSQFLPGOWHZ-CZUORRHYSA-N 0 3 381.444 0.343 20 0 GCADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571184654 952895525 /nfs/dbraw/zinc/89/55/25/952895525.db2.gz CLACLOIPFDJBFT-TZMCWYRMSA-N 0 3 381.444 0.493 20 0 GCADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571184654 952895529 /nfs/dbraw/zinc/89/55/29/952895529.db2.gz CLACLOIPFDJBFT-TZMCWYRMSA-N 0 3 381.444 0.493 20 0 GCADHN CN(C[C@H]1CCCCN1C(=O)Cn1ccnc1)c1ccncc1-c1nn[nH]n1 ZINC001571184780 952896243 /nfs/dbraw/zinc/89/62/43/952896243.db2.gz CYWCSXBTZIZMFO-CQSZACIVSA-N 0 3 381.444 0.976 20 0 GCADHN CCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571185204 952901130 /nfs/dbraw/zinc/90/11/30/952901130.db2.gz JLUARQHPCJZWQT-CTYIDZIISA-N 0 3 381.444 0.776 20 0 GCADHN CCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571185204 952901133 /nfs/dbraw/zinc/90/11/33/952901133.db2.gz JLUARQHPCJZWQT-CTYIDZIISA-N 0 3 381.444 0.776 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571185827 952904632 /nfs/dbraw/zinc/90/46/32/952904632.db2.gz QIEIHWUKILLWGI-AWEZNQCLSA-N 0 3 381.444 0.825 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571185827 952904633 /nfs/dbraw/zinc/90/46/33/952904633.db2.gz QIEIHWUKILLWGI-AWEZNQCLSA-N 0 3 381.444 0.825 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571185827 952904635 /nfs/dbraw/zinc/90/46/35/952904635.db2.gz QIEIHWUKILLWGI-AWEZNQCLSA-N 0 3 381.444 0.825 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571185827 952904636 /nfs/dbraw/zinc/90/46/36/952904636.db2.gz QIEIHWUKILLWGI-AWEZNQCLSA-N 0 3 381.444 0.825 20 0 GCADHN CCn1nc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001571186126 952905913 /nfs/dbraw/zinc/90/59/13/952905913.db2.gz SZTZTIGJFXAVBT-GASCZTMLSA-N 0 3 381.444 0.837 20 0 GCADHN CCn1nc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001571186126 952905918 /nfs/dbraw/zinc/90/59/18/952905918.db2.gz SZTZTIGJFXAVBT-GASCZTMLSA-N 0 3 381.444 0.837 20 0 GCADHN CCn1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)nn1 ZINC001571186300 952906540 /nfs/dbraw/zinc/90/65/40/952906540.db2.gz WAEVGRGKENTKQC-CQSZACIVSA-N 0 3 381.444 0.873 20 0 GCADHN CCn1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)nn1 ZINC001571186300 952906542 /nfs/dbraw/zinc/90/65/42/952906542.db2.gz WAEVGRGKENTKQC-CQSZACIVSA-N 0 3 381.444 0.873 20 0 GCADHN Cc1cc(N2C[C@@H](C)[C@H](NC(=O)Cc3cncn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188207 952913947 /nfs/dbraw/zinc/91/39/47/952913947.db2.gz IEWXOIBTSRQBSC-IAQYHMDHSA-N 0 3 381.444 0.487 20 0 GCADHN Cc1cc(N[C@H]2CN(C(=O)Cn3ccnc3)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188424 952915191 /nfs/dbraw/zinc/91/51/91/952915191.db2.gz KNQHLIJTVPROIL-HNNXBMFYSA-N 0 3 381.444 0.538 20 0 GCADHN O=C(N[C@@H]1C[C@@H]([NH2+]CCn2cccn2)C12CCC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571188643 952918089 /nfs/dbraw/zinc/91/80/89/952918089.db2.gz FQUAAIAPMNHBKK-HUUCEWRRSA-N 0 3 381.444 0.722 20 0 GCADHN O=C(N[C@@H]1C[C@@H]([NH2+]CCn2cccn2)C12CCC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571188643 952918092 /nfs/dbraw/zinc/91/80/92/952918092.db2.gz FQUAAIAPMNHBKK-HUUCEWRRSA-N 0 3 381.444 0.722 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571188710 952919084 /nfs/dbraw/zinc/91/90/84/952919084.db2.gz MSNWPABBFSEXQR-OCCSQVGLSA-N 0 3 381.444 0.982 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571188710 952919087 /nfs/dbraw/zinc/91/90/87/952919087.db2.gz MSNWPABBFSEXQR-OCCSQVGLSA-N 0 3 381.444 0.982 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571188712 952919147 /nfs/dbraw/zinc/91/91/47/952919147.db2.gz MSNWPABBFSEXQR-TZMCWYRMSA-N 0 3 381.444 0.982 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571188712 952919151 /nfs/dbraw/zinc/91/91/51/952919151.db2.gz MSNWPABBFSEXQR-TZMCWYRMSA-N 0 3 381.444 0.982 20 0 GCADHN O=C(Cn1ccnc1)N1CCCCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571188726 952919926 /nfs/dbraw/zinc/91/99/26/952919926.db2.gz GTSNNJIQGALCJG-CQSZACIVSA-N 0 3 381.444 0.763 20 0 GCADHN Cc1cncn1CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001571189028 952924225 /nfs/dbraw/zinc/92/42/25/952924225.db2.gz PUOMDFRIPYPHTR-ZFWWWQNUSA-N 0 3 381.444 0.598 20 0 GCADHN Cc1nccnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571189753 952934840 /nfs/dbraw/zinc/93/48/40/952934840.db2.gz TZEJWRSQXKMBNS-WCQYABFASA-N 0 3 381.444 0.934 20 0 GCADHN Cc1nccnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571189751 952935016 /nfs/dbraw/zinc/93/50/16/952935016.db2.gz TZEJWRSQXKMBNS-AAEUAGOBSA-N 0 3 381.444 0.934 20 0 GCADHN O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cccn1)C2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571189850 952936119 /nfs/dbraw/zinc/93/61/19/952936119.db2.gz XIUODMHGGXOXPW-QEJZJMRPSA-N 0 3 381.444 0.674 20 0 GCADHN O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cccn1)C2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571189850 952936122 /nfs/dbraw/zinc/93/61/22/952936122.db2.gz XIUODMHGGXOXPW-QEJZJMRPSA-N 0 3 381.444 0.674 20 0 GCADHN O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cccn1)C2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571189850 952936127 /nfs/dbraw/zinc/93/61/27/952936127.db2.gz XIUODMHGGXOXPW-QEJZJMRPSA-N 0 3 381.444 0.674 20 0 GCADHN O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cccn1)C2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571189850 952936132 /nfs/dbraw/zinc/93/61/32/952936132.db2.gz XIUODMHGGXOXPW-QEJZJMRPSA-N 0 3 381.444 0.674 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)c1n[nH]cc1F ZINC001571201164 953015176 /nfs/dbraw/zinc/01/51/76/953015176.db2.gz OPVIJKNGMAJWQG-ZSOGYDGISA-N 0 3 382.403 0.837 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)c1n[nH]cc1F ZINC001571201164 953015177 /nfs/dbraw/zinc/01/51/77/953015177.db2.gz OPVIJKNGMAJWQG-ZSOGYDGISA-N 0 3 382.403 0.837 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571202085 953022864 /nfs/dbraw/zinc/02/28/64/953022864.db2.gz UZQWUJXYSKAJGH-BXUZGUMPSA-N 0 3 382.428 0.556 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571202085 953022867 /nfs/dbraw/zinc/02/28/67/953022867.db2.gz UZQWUJXYSKAJGH-BXUZGUMPSA-N 0 3 382.428 0.556 20 0 GCADHN Cn1c(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c[nH]c1=O ZINC001571206334 953049961 /nfs/dbraw/zinc/04/99/61/953049961.db2.gz OOBDRFGAJCSOIQ-BJHJDKERSA-N 0 3 382.428 0.604 20 0 GCADHN Cn1c(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c[nH]c1=O ZINC001571206334 953049963 /nfs/dbraw/zinc/04/99/63/953049963.db2.gz OOBDRFGAJCSOIQ-BJHJDKERSA-N 0 3 382.428 0.604 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001571207689 953066354 /nfs/dbraw/zinc/06/63/54/953066354.db2.gz ZUOWGULVNVRHGZ-OTTFEQOBSA-N 0 3 382.432 0.166 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001571207689 953066355 /nfs/dbraw/zinc/06/63/55/953066355.db2.gz ZUOWGULVNVRHGZ-OTTFEQOBSA-N 0 3 382.432 0.166 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001571211452 953076523 /nfs/dbraw/zinc/07/65/23/953076523.db2.gz BEEKGZCSRZKEAE-AAEUAGOBSA-N 0 3 382.432 0.784 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001571211537 953077784 /nfs/dbraw/zinc/07/77/84/953077784.db2.gz AYRRHMJVGPCPJF-SOUVJXGZSA-N 0 3 382.472 0.701 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001571211537 953077787 /nfs/dbraw/zinc/07/77/87/953077787.db2.gz AYRRHMJVGPCPJF-SOUVJXGZSA-N 0 3 382.472 0.701 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001571211537 953077789 /nfs/dbraw/zinc/07/77/89/953077789.db2.gz AYRRHMJVGPCPJF-SOUVJXGZSA-N 0 3 382.472 0.701 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001571211537 953077793 /nfs/dbraw/zinc/07/77/93/953077793.db2.gz AYRRHMJVGPCPJF-SOUVJXGZSA-N 0 3 382.472 0.701 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001571211786 953080812 /nfs/dbraw/zinc/08/08/12/953080812.db2.gz GLZUDMAKOKFLNZ-CQSZACIVSA-N 0 3 382.472 0.608 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001571211786 953080814 /nfs/dbraw/zinc/08/08/14/953080814.db2.gz GLZUDMAKOKFLNZ-CQSZACIVSA-N 0 3 382.472 0.608 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571212219 953085812 /nfs/dbraw/zinc/08/58/12/953085812.db2.gz JKYUMYGBRGWKKW-CWRNSKLLSA-N 0 3 382.472 0.783 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571212219 953085819 /nfs/dbraw/zinc/08/58/19/953085819.db2.gz JKYUMYGBRGWKKW-CWRNSKLLSA-N 0 3 382.472 0.783 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571212219 953085821 /nfs/dbraw/zinc/08/58/21/953085821.db2.gz JKYUMYGBRGWKKW-CWRNSKLLSA-N 0 3 382.472 0.783 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571212219 953085827 /nfs/dbraw/zinc/08/58/27/953085827.db2.gz JKYUMYGBRGWKKW-CWRNSKLLSA-N 0 3 382.472 0.783 20 0 GCADHN CN(c1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001571212472 953089239 /nfs/dbraw/zinc/08/92/39/953089239.db2.gz MGWUDNNSYJKRPE-AWEZNQCLSA-N 0 3 382.472 0.927 20 0 GCADHN CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001571212472 953089240 /nfs/dbraw/zinc/08/92/40/953089240.db2.gz MGWUDNNSYJKRPE-AWEZNQCLSA-N 0 3 382.472 0.927 20 0 GCADHN Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571212924 953091500 /nfs/dbraw/zinc/09/15/00/953091500.db2.gz OGFCUWIYRBJHDJ-SOUVJXGZSA-N 0 3 382.472 0.701 20 0 GCADHN Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571212924 953091504 /nfs/dbraw/zinc/09/15/04/953091504.db2.gz OGFCUWIYRBJHDJ-SOUVJXGZSA-N 0 3 382.472 0.701 20 0 GCADHN Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571212924 953091508 /nfs/dbraw/zinc/09/15/08/953091508.db2.gz OGFCUWIYRBJHDJ-SOUVJXGZSA-N 0 3 382.472 0.701 20 0 GCADHN Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571212924 953091511 /nfs/dbraw/zinc/09/15/11/953091511.db2.gz OGFCUWIYRBJHDJ-SOUVJXGZSA-N 0 3 382.472 0.701 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nc2)CC3)C1 ZINC001571214060 953099297 /nfs/dbraw/zinc/09/92/97/953099297.db2.gz VYHHQCGCLMZDSL-XJKSGUPXSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nc2)CC3)C1 ZINC001571214060 953099302 /nfs/dbraw/zinc/09/93/02/953099302.db2.gz VYHHQCGCLMZDSL-XJKSGUPXSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nc2)CC3)C1 ZINC001571214060 953099306 /nfs/dbraw/zinc/09/93/06/953099306.db2.gz VYHHQCGCLMZDSL-XJKSGUPXSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nc2)CC3)C1 ZINC001571214060 953099310 /nfs/dbraw/zinc/09/93/10/953099310.db2.gz VYHHQCGCLMZDSL-XJKSGUPXSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nc2)CC3)C1 ZINC001571214057 953099391 /nfs/dbraw/zinc/09/93/91/953099391.db2.gz VYHHQCGCLMZDSL-BBRMVZONSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N[C@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nc2)CC3)C1 ZINC001571214057 953099393 /nfs/dbraw/zinc/09/93/93/953099393.db2.gz VYHHQCGCLMZDSL-BBRMVZONSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nc2)CC3)C1 ZINC001571214057 953099395 /nfs/dbraw/zinc/09/93/95/953099395.db2.gz VYHHQCGCLMZDSL-BBRMVZONSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N[C@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nc2)CC3)C1 ZINC001571214057 953099399 /nfs/dbraw/zinc/09/93/99/953099399.db2.gz VYHHQCGCLMZDSL-BBRMVZONSA-N 0 3 382.472 0.689 20 0 GCADHN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CN(C(=O)c2ccon2)CCO1 ZINC001571218868 953119925 /nfs/dbraw/zinc/11/99/25/953119925.db2.gz FXXJSAYTOQPSJG-BLLLJJGKSA-N 0 3 383.412 0.874 20 0 GCADHN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CN(C(=O)c2ccon2)CCO1 ZINC001571218868 953119927 /nfs/dbraw/zinc/11/99/27/953119927.db2.gz FXXJSAYTOQPSJG-BLLLJJGKSA-N 0 3 383.412 0.874 20 0 GCADHN CN1C(=O)CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571231408 953184119 /nfs/dbraw/zinc/18/41/19/953184119.db2.gz WFCQHFXWBXWWSK-ZBFHGGJFSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571231408 953184121 /nfs/dbraw/zinc/18/41/21/953184121.db2.gz WFCQHFXWBXWWSK-ZBFHGGJFSA-N 0 3 383.456 0.568 20 0 GCADHN O=C(NCC1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCNC(=O)C1 ZINC001571232234 953186148 /nfs/dbraw/zinc/18/61/48/953186148.db2.gz CFMCGFNFNVUHQG-OWYJLGKBSA-N 0 3 383.456 0.377 20 0 GCADHN O=C(NCC1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCNC(=O)C1 ZINC001571232234 953186150 /nfs/dbraw/zinc/18/61/50/953186150.db2.gz CFMCGFNFNVUHQG-OWYJLGKBSA-N 0 3 383.456 0.377 20 0 GCADHN CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571232413 953187196 /nfs/dbraw/zinc/18/71/96/953187196.db2.gz FCXZCRKQFKJZDX-FIRUKDTASA-N 0 3 383.460 0.082 20 0 GCADHN CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571232413 953187197 /nfs/dbraw/zinc/18/71/97/953187197.db2.gz FCXZCRKQFKJZDX-FIRUKDTASA-N 0 3 383.460 0.082 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)NC1CC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571232538 953187428 /nfs/dbraw/zinc/18/74/28/953187428.db2.gz HUHOJENDEATJAS-HNFVBEJKSA-N 0 3 383.456 0.520 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)NC1CC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571232538 953187432 /nfs/dbraw/zinc/18/74/32/953187432.db2.gz HUHOJENDEATJAS-HNFVBEJKSA-N 0 3 383.456 0.520 20 0 GCADHN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571232681 953188708 /nfs/dbraw/zinc/18/87/08/953188708.db2.gz JBRNUJQEZXOHDR-AEGPPILISA-N 0 3 383.456 0.520 20 0 GCADHN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571232681 953188709 /nfs/dbraw/zinc/18/87/09/953188709.db2.gz JBRNUJQEZXOHDR-AEGPPILISA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@@H+]1CCc1cnn(C)c1 ZINC001571233030 953190049 /nfs/dbraw/zinc/19/00/49/953190049.db2.gz NKPBJYHJCZDPLZ-SWLSCSKDSA-N 0 3 383.460 0.754 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@H+]1CCc1cnn(C)c1 ZINC001571233030 953190050 /nfs/dbraw/zinc/19/00/50/953190050.db2.gz NKPBJYHJCZDPLZ-SWLSCSKDSA-N 0 3 383.460 0.754 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C[NH2+]Cc1cncn1C ZINC001571233424 953192120 /nfs/dbraw/zinc/19/21/20/953192120.db2.gz UYXSSUXRECEOJJ-CHWSQXEVSA-N 0 3 383.460 0.816 20 0 GCADHN O=C([C@@H]1CCC(=O)NC1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571233497 953192861 /nfs/dbraw/zinc/19/28/61/953192861.db2.gz WSBJVEARDMEWCF-DZGCQCFKSA-N 0 3 383.456 0.331 20 0 GCADHN O=C([C@@H]1CCC(=O)NC1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571233497 953192862 /nfs/dbraw/zinc/19/28/62/953192862.db2.gz WSBJVEARDMEWCF-DZGCQCFKSA-N 0 3 383.456 0.331 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571233452 953192997 /nfs/dbraw/zinc/19/29/97/953192997.db2.gz VOALBXADGKNNAU-YDHLFZDLSA-N 0 3 383.460 0.319 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571233452 953193000 /nfs/dbraw/zinc/19/30/00/953193000.db2.gz VOALBXADGKNNAU-YDHLFZDLSA-N 0 3 383.460 0.319 20 0 GCADHN O=C(C[C@@H]1CCCC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571233468 953193277 /nfs/dbraw/zinc/19/32/77/953193277.db2.gz VTNDZXZKAMVZJD-LSDHHAIUSA-N 0 3 383.456 0.616 20 0 GCADHN O=C(C[C@@H]1CCCC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571233468 953193280 /nfs/dbraw/zinc/19/32/80/953193280.db2.gz VTNDZXZKAMVZJD-LSDHHAIUSA-N 0 3 383.456 0.616 20 0 GCADHN O=C([C@H]1CCNC(=O)C1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571233540 953193674 /nfs/dbraw/zinc/19/36/74/953193674.db2.gz XKVINKOKJSEIMS-DZGCQCFKSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@H]1CCNC(=O)C1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571233540 953193677 /nfs/dbraw/zinc/19/36/77/953193677.db2.gz XKVINKOKJSEIMS-DZGCQCFKSA-N 0 3 383.456 0.474 20 0 GCADHN NC(=O)[C@H]1CC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571233635 953194408 /nfs/dbraw/zinc/19/44/08/953194408.db2.gz ZALYLTQCSBCHEF-TUUVXOQKSA-N 0 3 383.456 0.363 20 0 GCADHN NC(=O)[C@H]1CC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571233635 953194411 /nfs/dbraw/zinc/19/44/11/953194411.db2.gz ZALYLTQCSBCHEF-TUUVXOQKSA-N 0 3 383.456 0.363 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@@H+]1CCc1ccnn1C ZINC001571233624 953194862 /nfs/dbraw/zinc/19/48/62/953194862.db2.gz YRKCGTWZDVGIMB-STQMWFEESA-N 0 3 383.460 0.754 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@H+]1CCc1ccnn1C ZINC001571233624 953194863 /nfs/dbraw/zinc/19/48/63/953194863.db2.gz YRKCGTWZDVGIMB-STQMWFEESA-N 0 3 383.460 0.754 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@@H+]1CCc1ccnn1C ZINC001571233623 953194881 /nfs/dbraw/zinc/19/48/81/953194881.db2.gz YRKCGTWZDVGIMB-QWHCGFSZSA-N 0 3 383.460 0.754 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@H+]1CCc1ccnn1C ZINC001571233623 953194883 /nfs/dbraw/zinc/19/48/83/953194883.db2.gz YRKCGTWZDVGIMB-QWHCGFSZSA-N 0 3 383.460 0.754 20 0 GCADHN Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571233779 953196296 /nfs/dbraw/zinc/19/62/96/953196296.db2.gz CZHBENLZDWVQDC-IUODEOHRSA-N 0 3 383.460 0.925 20 0 GCADHN Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571233779 953196299 /nfs/dbraw/zinc/19/62/99/953196299.db2.gz CZHBENLZDWVQDC-IUODEOHRSA-N 0 3 383.460 0.925 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571243181 953264443 /nfs/dbraw/zinc/26/44/43/953264443.db2.gz YCPLBQYYBLEOGN-YPMHNXCESA-N 0 3 384.444 0.010 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571243181 953264445 /nfs/dbraw/zinc/26/44/45/953264445.db2.gz YCPLBQYYBLEOGN-YPMHNXCESA-N 0 3 384.444 0.010 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571245930 953278398 /nfs/dbraw/zinc/27/83/98/953278398.db2.gz OXOPNDZYBBUHEY-ZWNOBZJWSA-N 0 3 384.448 0.296 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571245930 953278401 /nfs/dbraw/zinc/27/84/01/953278401.db2.gz OXOPNDZYBBUHEY-ZWNOBZJWSA-N 0 3 384.448 0.296 20 0 GCADHN O=C(C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2)N1CCC1 ZINC001571250344 953310679 /nfs/dbraw/zinc/31/06/79/953310679.db2.gz QXSIGTKJSOSIAI-KBPBESRZSA-N 0 3 384.444 0.058 20 0 GCADHN Cc1nc(N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1-c1nnn[n-]1 ZINC001571252116 953324078 /nfs/dbraw/zinc/32/40/78/953324078.db2.gz HWNOEBLPAZGHFS-IJEWVQPXSA-N 0 3 384.488 0.947 20 0 GCADHN Cc1nc(N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc1-c1nnn[n-]1 ZINC001571252116 953324081 /nfs/dbraw/zinc/32/40/81/953324081.db2.gz HWNOEBLPAZGHFS-IJEWVQPXSA-N 0 3 384.488 0.947 20 0 GCADHN Cc1nc(N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1-c1nn[n-]n1 ZINC001571252116 953324085 /nfs/dbraw/zinc/32/40/85/953324085.db2.gz HWNOEBLPAZGHFS-IJEWVQPXSA-N 0 3 384.488 0.947 20 0 GCADHN Cc1nc(N2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc1-c1nn[n-]n1 ZINC001571252116 953324087 /nfs/dbraw/zinc/32/40/87/953324087.db2.gz HWNOEBLPAZGHFS-IJEWVQPXSA-N 0 3 384.488 0.947 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571252245 953324816 /nfs/dbraw/zinc/32/48/16/953324816.db2.gz IPPBVQDUQYHUHQ-HUUCEWRRSA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571252245 953324818 /nfs/dbraw/zinc/32/48/18/953324818.db2.gz IPPBVQDUQYHUHQ-HUUCEWRRSA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571252245 953324822 /nfs/dbraw/zinc/32/48/22/953324822.db2.gz IPPBVQDUQYHUHQ-HUUCEWRRSA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571252245 953324827 /nfs/dbraw/zinc/32/48/27/953324827.db2.gz IPPBVQDUQYHUHQ-HUUCEWRRSA-N 0 3 384.488 0.997 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571252442 953328564 /nfs/dbraw/zinc/32/85/64/953328564.db2.gz MSDFAFJPSGWWBA-AWEZNQCLSA-N 0 3 384.488 0.888 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571252442 953328567 /nfs/dbraw/zinc/32/85/67/953328567.db2.gz MSDFAFJPSGWWBA-AWEZNQCLSA-N 0 3 384.488 0.888 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1-c1nnn[n-]1 ZINC001571252656 953331502 /nfs/dbraw/zinc/33/15/02/953331502.db2.gz SORSLUTXQQEPJB-IIAWOOMASA-N 0 3 384.488 0.995 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc1-c1nnn[n-]1 ZINC001571252656 953331505 /nfs/dbraw/zinc/33/15/05/953331505.db2.gz SORSLUTXQQEPJB-IIAWOOMASA-N 0 3 384.488 0.995 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1-c1nn[n-]n1 ZINC001571252656 953331510 /nfs/dbraw/zinc/33/15/10/953331510.db2.gz SORSLUTXQQEPJB-IIAWOOMASA-N 0 3 384.488 0.995 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc1-c1nn[n-]n1 ZINC001571252656 953331512 /nfs/dbraw/zinc/33/15/12/953331512.db2.gz SORSLUTXQQEPJB-IIAWOOMASA-N 0 3 384.488 0.995 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)CC[N@@H+]1C ZINC001571252734 953333265 /nfs/dbraw/zinc/33/32/65/953333265.db2.gz VGMGNEQSDFFQNK-GOEBONIOSA-N 0 3 384.488 0.949 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)CC[N@H+]1C ZINC001571252734 953333270 /nfs/dbraw/zinc/33/32/70/953333270.db2.gz VGMGNEQSDFFQNK-GOEBONIOSA-N 0 3 384.488 0.949 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)CC[N@@H+]1C ZINC001571252734 953333272 /nfs/dbraw/zinc/33/32/72/953333272.db2.gz VGMGNEQSDFFQNK-GOEBONIOSA-N 0 3 384.488 0.949 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)CC[N@H+]1C ZINC001571252734 953333277 /nfs/dbraw/zinc/33/32/77/953333277.db2.gz VGMGNEQSDFFQNK-GOEBONIOSA-N 0 3 384.488 0.949 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CN1C(=O)c1cnn(C)n1 ZINC001571255854 953357851 /nfs/dbraw/zinc/35/78/51/953357851.db2.gz VETSZFDRKUBDNE-CMPLNLGQSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CN1C(=O)c1cnn(C)n1 ZINC001571255854 953357856 /nfs/dbraw/zinc/35/78/56/953357856.db2.gz VETSZFDRKUBDNE-CMPLNLGQSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)[C@H]([NH2+]CCCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)C(=O)[O-] ZINC001591897670 976272958 /nfs/dbraw/zinc/27/29/58/976272958.db2.gz HXDGWPFKDCDSMO-IKGGRYGDSA-N 0 3 379.505 0.661 20 0 GCADHN C[C@@H](C(=O)NCC(=O)[O-])N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000736209685 978309659 /nfs/dbraw/zinc/30/96/59/978309659.db2.gz USGOQMPJWAZRON-YJBOKZPZSA-N 0 3 377.485 0.953 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N3CC(n4cc(C(=O)[O-])nn4)C3)CC2)CC1 ZINC001596408155 983982142 /nfs/dbraw/zinc/98/21/42/983982142.db2.gz LMWYJTDLDXSFQO-UHFFFAOYSA-N 0 3 390.488 0.556 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1=O ZINC001596418763 984046938 /nfs/dbraw/zinc/04/69/38/984046938.db2.gz TZDTWKMELVLQQG-HOTGVXAUSA-N 0 3 394.516 0.327 20 0 GCADHN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1=O ZINC001596418763 984046946 /nfs/dbraw/zinc/04/69/46/984046946.db2.gz TZDTWKMELVLQQG-HOTGVXAUSA-N 0 3 394.516 0.327 20 0 GCADHN CN1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@@H](C(=O)[O-])C1 ZINC001598239227 990969241 /nfs/dbraw/zinc/96/92/41/990969241.db2.gz HLXDYOAOYKUXOB-INIZCTEOSA-N 0 3 378.473 0.785 20 0 GCADHN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3c([n-]2)n(C)c(=O)n(C)c3=O)cc1 ZINC001648466868 1126250773 /nfs/dbraw/zinc/25/07/73/1126250773.db2.gz QOTZGCVQENCEIX-IBGZPJMESA-N 0 3 387.440 0.052 20 0 GCADHN C[C@H](CNC(=O)CCn1cc(S(N)(=O)=O)cn1)N(C)Cc1ccccc1 ZINC000110965783 231020730 /nfs/dbraw/zinc/02/07/30/231020730.db2.gz QTLHUPOZBFNWNH-CQSZACIVSA-N 0 3 379.486 0.557 20 0 GCADHN CN1CCC(O)(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000530619683 530154238 /nfs/dbraw/zinc/15/42/38/530154238.db2.gz CEHXELAOULCGRX-UHFFFAOYSA-N 0 3 389.905 0.581 20 0 GCADHN CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366575083 530116073 /nfs/dbraw/zinc/11/60/73/530116073.db2.gz VRWPDLUOYSGHKT-HUBLWGQQSA-N 0 3 375.441 0.945 20 0 GCADHN CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366575084 530116317 /nfs/dbraw/zinc/11/63/17/530116317.db2.gz VRWPDLUOYSGHKT-SLEUVZQESA-N 0 3 375.441 0.945 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000583922123 530116339 /nfs/dbraw/zinc/11/63/39/530116339.db2.gz WPSCSMXOHJLAIN-CYBMUJFWSA-N 0 3 386.221 0.576 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c1 ZINC000363660070 530121314 /nfs/dbraw/zinc/12/13/14/530121314.db2.gz NCTFSQLONJBGEB-AWEZNQCLSA-N 0 3 387.527 0.796 20 0 GCADHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000607160759 530122114 /nfs/dbraw/zinc/12/21/14/530122114.db2.gz ASLLRHVDVFHLGX-OLZOCXBDSA-N 0 3 375.516 0.827 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC2([NH3+])CCCC2)s1 ZINC000658390500 530126637 /nfs/dbraw/zinc/12/66/37/530126637.db2.gz SHESLLUIRLEFKQ-UHFFFAOYSA-N 0 3 395.572 0.780 20 0 GCADHN N[C@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1 ZINC000261660560 530129164 /nfs/dbraw/zinc/12/91/64/530129164.db2.gz FPZWTXZZGLQDFA-AWEZNQCLSA-N 0 3 375.878 0.488 20 0 GCADHN COCCNCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000262065213 530131553 /nfs/dbraw/zinc/13/15/53/530131553.db2.gz AUZJGBUNSZHVQK-UHFFFAOYSA-N 0 3 375.516 0.427 20 0 GCADHN CCOC1(CS(=O)(=O)NCCCCN2CCC[C@@H]2CO)CCOCC1 ZINC000625000490 530131533 /nfs/dbraw/zinc/13/15/33/530131533.db2.gz GVVQUMFCCWQGLX-MRXNPFEDSA-N 0 3 378.535 0.728 20 0 GCADHN CN(C)S(=O)(=O)c1ccsc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000370777941 530134325 /nfs/dbraw/zinc/13/43/25/530134325.db2.gz APVXNDYJBRVZET-CYBMUJFWSA-N 0 3 387.527 0.982 20 0 GCADHN [NH3+][C@@H]1CCc2ncc(NC(=O)Cn3cc(Br)c(=O)[n-]c3=O)cc2C1 ZINC000583995646 530135517 /nfs/dbraw/zinc/13/55/17/530135517.db2.gz SBQKZKJZVKFADP-SECBINFHSA-N 0 3 394.229 0.561 20 0 GCADHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000668303083 530157412 /nfs/dbraw/zinc/15/74/12/530157412.db2.gz YTCIEHROYFMYCA-GOEBONIOSA-N 0 3 375.535 0.662 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000521361771 530138878 /nfs/dbraw/zinc/13/88/78/530138878.db2.gz QMEDDVMZQYASJK-CQSZACIVSA-N 0 3 387.527 0.701 20 0 GCADHN CC[C@@H](NC[C@@H](O)Cn1ccnn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414171846 530140171 /nfs/dbraw/zinc/14/01/71/530140171.db2.gz DDMZDXHYAGNGDA-TZMCWYRMSA-N 0 3 387.893 0.941 20 0 GCADHN C[C@H](N)[C@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000647876307 530142361 /nfs/dbraw/zinc/14/23/61/530142361.db2.gz VPJBEEZDMFQAOG-GXFFZTMASA-N 0 3 391.287 0.797 20 0 GCADHN CN(C)S(=O)(=O)N1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000043190632 530148094 /nfs/dbraw/zinc/14/80/94/530148094.db2.gz LEWIWCQDYXESMP-UHFFFAOYSA-N 0 3 375.539 0.385 20 0 GCADHN CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000264057946 530150939 /nfs/dbraw/zinc/15/09/39/530150939.db2.gz UXDQINGYYDITEU-LLVKDONJSA-N 0 3 375.397 0.784 20 0 GCADHN CCN1CCC(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 ZINC000264085548 530151605 /nfs/dbraw/zinc/15/16/05/530151605.db2.gz MWPVCBRNJMZAHT-UHFFFAOYSA-N 0 3 397.277 0.493 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000264132823 530152075 /nfs/dbraw/zinc/15/20/75/530152075.db2.gz YYAKUMAJUMTWBR-UHFFFAOYSA-N 0 3 388.515 0.022 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655346890 530189088 /nfs/dbraw/zinc/18/90/88/530189088.db2.gz LIPHOHRKHOCFRM-NEPJUHHUSA-N 0 3 385.262 0.845 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655346890 530189091 /nfs/dbraw/zinc/18/90/91/530189091.db2.gz LIPHOHRKHOCFRM-NEPJUHHUSA-N 0 3 385.262 0.845 20 0 GCADHN CN1CCC(O)(CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000265862434 530191277 /nfs/dbraw/zinc/19/12/77/530191277.db2.gz CHMXLVFLLDTESP-UHFFFAOYSA-N 0 3 389.905 0.870 20 0 GCADHN CN1CCC(O)(CNC(=O)C(=O)N2CCc3ccc(Br)cc32)CC1 ZINC000265853599 530191491 /nfs/dbraw/zinc/19/14/91/530191491.db2.gz CDPNZVUARRBVDQ-UHFFFAOYSA-N 0 3 396.285 0.911 20 0 GCADHN CN(C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)[C@@H]1CCCN(C)C1 ZINC000265962580 530193053 /nfs/dbraw/zinc/19/30/53/530193053.db2.gz HGYKUASZQCCBHA-CYBMUJFWSA-N 0 3 386.543 0.918 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000557199770 530193387 /nfs/dbraw/zinc/19/33/87/530193387.db2.gz JNBHSGBMOKASHD-OLZOCXBDSA-N 0 3 388.515 0.189 20 0 GCADHN CC(C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)S(C)(=O)=O ZINC000047958563 530194232 /nfs/dbraw/zinc/19/42/32/530194232.db2.gz FYVYNZPMSPOABZ-ZDUSSCGKSA-N 0 3 388.511 0.911 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2ccsc2Br)[C@H](CN)C1 ZINC000557265230 530194462 /nfs/dbraw/zinc/19/44/62/530194462.db2.gz ZRIFSMLQPIHYGC-SNVBAGLBSA-N 0 3 375.292 0.228 20 0 GCADHN CN(C)c1ncc(CNC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000266057579 530194509 /nfs/dbraw/zinc/19/45/09/530194509.db2.gz VXEDDWZPAOVYKK-UHFFFAOYSA-N 0 3 384.531 0.886 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CCNC(=O)C(=O)NC1CNC1 ZINC000557297267 530194557 /nfs/dbraw/zinc/19/45/57/530194557.db2.gz DFOVDEFPAPGXQO-UHFFFAOYSA-N 0 3 383.246 0.290 20 0 GCADHN CN(C)CCOc1ccc(CCNS(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000266127481 530195338 /nfs/dbraw/zinc/19/53/38/530195338.db2.gz FNUBAUNKJYFHHP-UHFFFAOYSA-N 0 3 378.516 0.134 20 0 GCADHN COCCN1CC[C@H](NC(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000668435366 530196131 /nfs/dbraw/zinc/19/61/31/530196131.db2.gz DUFLGQJQIUPJLQ-LBPRGKRZSA-N 0 3 395.261 0.875 20 0 GCADHN CCCN(C)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000266229034 530198266 /nfs/dbraw/zinc/19/82/66/530198266.db2.gz TUYAQRHVAXCALX-ZDUSSCGKSA-N 0 3 389.543 0.906 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCCN(C)C2)c1 ZINC000625419948 530198775 /nfs/dbraw/zinc/19/87/75/530198775.db2.gz MXLBOVSHKRWOBZ-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN CN1CCCC[C@H](CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000625423789 530199575 /nfs/dbraw/zinc/19/95/75/530199575.db2.gz ZTDTUEYVJYVZJU-OAHLLOKOSA-N 0 3 389.543 0.616 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)NCCN(C)CCCOC)s1 ZINC000266492842 530201364 /nfs/dbraw/zinc/20/13/64/530201364.db2.gz JMPFXIIJKGDKJA-UHFFFAOYSA-N 0 3 378.520 0.424 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)NC[C@]2(N(C)C)CCSC2)ccc1OC ZINC000267059214 530207650 /nfs/dbraw/zinc/20/76/50/530207650.db2.gz BJIKMXMXKNKXST-MRXNPFEDSA-N 0 3 387.527 0.770 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)NC[C@@]2(N(C)C)CCSC2)ccc1OC ZINC000267059212 530207691 /nfs/dbraw/zinc/20/76/91/530207691.db2.gz BJIKMXMXKNKXST-INIZCTEOSA-N 0 3 387.527 0.770 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000530895249 530166629 /nfs/dbraw/zinc/16/66/29/530166629.db2.gz DFQFODKRHBNTJV-INIZCTEOSA-N 0 3 392.591 0.927 20 0 GCADHN NS(=O)(=O)c1ccc(OCCN(CCO)CCOCC(F)(F)F)cc1 ZINC000264885044 530170231 /nfs/dbraw/zinc/17/02/31/530170231.db2.gz RNTHFGXLKONSMG-UHFFFAOYSA-N 0 3 386.392 0.586 20 0 GCADHN CCN(CC)CCN(C(=O)[C@H]1CNCCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000648149269 530171365 /nfs/dbraw/zinc/17/13/65/530171365.db2.gz FRULSIUTORGJMK-UONOGXRCSA-N 0 3 381.489 0.589 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000584057154 530171601 /nfs/dbraw/zinc/17/16/01/530171601.db2.gz SNOOSMOVSGFXFL-XJKSGUPXSA-N 0 3 388.559 0.985 20 0 GCADHN COc1ccc(Br)c(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000584043284 530171671 /nfs/dbraw/zinc/17/16/71/530171671.db2.gz VJWHRVVCDRTVNM-LBPRGKRZSA-N 0 3 399.289 0.175 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000046762726 530185118 /nfs/dbraw/zinc/18/51/18/530185118.db2.gz QXDVEINWENXTHT-LLVKDONJSA-N 0 3 394.902 0.606 20 0 GCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000647888621 530187540 /nfs/dbraw/zinc/18/75/40/530187540.db2.gz KPGWERZVVILUKW-WFASDCNBSA-N 0 3 375.516 0.650 20 0 GCADHN COCCn1cnnc1S(=O)(=O)C(C)C(=O)N1CCc2sccc2C1 ZINC000559160249 530223707 /nfs/dbraw/zinc/22/37/07/530223707.db2.gz IFEUQPDLDRSATG-NSHDSACASA-N 0 3 384.483 0.733 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000588698799 530225397 /nfs/dbraw/zinc/22/53/97/530225397.db2.gz AMNXTWCLLFXISA-CYBMUJFWSA-N 0 3 384.278 0.586 20 0 GCADHN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(N(C)CCO)CC2)c1 ZINC000268362475 530225751 /nfs/dbraw/zinc/22/57/51/530225751.db2.gz PSVNHIIIUKWDSY-UHFFFAOYSA-N 0 3 390.527 0.557 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c(OC)c1 ZINC000647201494 530226814 /nfs/dbraw/zinc/22/68/14/530226814.db2.gz PXICTONQNHNAMX-ZDUSSCGKSA-N 0 3 391.515 0.877 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000518330313 530227714 /nfs/dbraw/zinc/22/77/14/530227714.db2.gz DVBCZFFNWIGUJC-JQWIXIFHSA-N 0 3 394.540 0.790 20 0 GCADHN O=S(=O)(NCCNC1CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000647209823 530230801 /nfs/dbraw/zinc/23/08/01/530230801.db2.gz KYZJKJHNJXONQH-UHFFFAOYSA-N 0 3 387.527 0.892 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000564658153 530251562 /nfs/dbraw/zinc/25/15/62/530251562.db2.gz ULFDMHUTWXKDRP-KBPBESRZSA-N 0 3 399.289 0.533 20 0 GCADHN O=C(NCc1cc(Cl)ccc1Br)C(=O)NC[C@H]1CNCCO1 ZINC000569363953 530232064 /nfs/dbraw/zinc/23/20/64/530232064.db2.gz SYLJQDCJEMHSJX-LLVKDONJSA-N 0 3 390.665 0.823 20 0 GCADHN CNS(=O)(=O)c1cccc([C@@H](C)NCC2CCN(S(C)(=O)=O)CC2)c1 ZINC000268855334 530233212 /nfs/dbraw/zinc/23/32/12/530233212.db2.gz ZALBKRDYKXOHMC-CYBMUJFWSA-N 0 3 389.543 0.917 20 0 GCADHN COCCOCCS(=O)(=O)N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000658391671 530234354 /nfs/dbraw/zinc/23/43/54/530234354.db2.gz UYCCKVSOJCVIAF-CZUORRHYSA-N 0 3 378.441 0.993 20 0 GCADHN [NH3+][C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCO3)c2)C1 ZINC000269130355 530235550 /nfs/dbraw/zinc/23/55/50/530235550.db2.gz NWLUMVQLXDOZEK-CHWSQXEVSA-N 0 3 387.889 0.971 20 0 GCADHN [NH3+]CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000269129334 530235649 /nfs/dbraw/zinc/23/56/49/530235649.db2.gz NTDKHUJASANHDS-LBPRGKRZSA-N 0 3 375.878 0.876 20 0 GCADHN O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCCNCC1 ZINC000269145647 530235673 /nfs/dbraw/zinc/23/56/73/530235673.db2.gz YXCRAADHJNDERC-UHFFFAOYSA-N 0 3 387.889 0.796 20 0 GCADHN C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000269282377 530237045 /nfs/dbraw/zinc/23/70/45/530237045.db2.gz QZOPAKQXIZBLAD-RKDXNWHRSA-N 0 3 396.332 0.985 20 0 GCADHN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000518668238 530237586 /nfs/dbraw/zinc/23/75/86/530237586.db2.gz WUIUSLDWADXVSG-AWEZNQCLSA-N 0 3 387.527 0.847 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@](C)(O)CN(C)C)s1 ZINC000269859730 530252437 /nfs/dbraw/zinc/25/24/37/530252437.db2.gz CPBRBPBFNQRLKX-BBRMVZONSA-N 0 3 389.543 0.638 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000269463948 530241198 /nfs/dbraw/zinc/24/11/98/530241198.db2.gz WDOSWIAJCYKQPV-UHFFFAOYSA-N 0 3 377.532 0.594 20 0 GCADHN N[C@@H]1C[C@@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707505 530241674 /nfs/dbraw/zinc/24/16/74/530241674.db2.gz BGNNBRUZVNLZPE-UMVBOHGHSA-N 0 3 393.285 0.946 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000269534817 530242689 /nfs/dbraw/zinc/24/26/89/530242689.db2.gz ZQWXBJPAMTWFLD-LBPRGKRZSA-N 0 3 376.504 0.046 20 0 GCADHN C[C@@H](CNC(=O)c1nc2ncc(Br)cn2n1)CN1CCN(C)CC1 ZINC000098035912 530245344 /nfs/dbraw/zinc/24/53/44/530245344.db2.gz LHROSWAGSRAYKX-NSHDSACASA-N 0 3 396.293 0.500 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCN1CCC(O)CC1 ZINC000605543627 530245507 /nfs/dbraw/zinc/24/55/07/530245507.db2.gz ZJSOYHXVNVIOQL-MRXNPFEDSA-N 0 3 375.535 0.544 20 0 GCADHN COCCN(C)CCCNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000269767660 530248476 /nfs/dbraw/zinc/24/84/76/530248476.db2.gz AOEBDWZOUCKSSS-CYBMUJFWSA-N 0 3 393.531 0.150 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000267193398 530210345 /nfs/dbraw/zinc/21/03/45/530210345.db2.gz CTUILCHELSUDNT-BXUZGUMPSA-N 0 3 377.557 0.968 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NCc2ccc(S(N)(=O)=O)s2)CCSC1 ZINC000267221316 530210471 /nfs/dbraw/zinc/21/04/71/530210471.db2.gz URNJLKGRXNPXKF-CYBMUJFWSA-N 0 3 378.545 0.632 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000267239458 530211079 /nfs/dbraw/zinc/21/10/79/530211079.db2.gz XTVYQGXFIDACBF-MRXNPFEDSA-N 0 3 386.543 0.831 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000269818043 530250679 /nfs/dbraw/zinc/25/06/79/530250679.db2.gz NHSZFKZXALKFDR-UHFFFAOYSA-N 0 3 390.527 0.604 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cccnc2OCC(F)F)CC1 ZINC000647905486 530217157 /nfs/dbraw/zinc/21/71/57/530217157.db2.gz YBIGBTRMHILKIR-UHFFFAOYSA-N 0 3 378.445 0.641 20 0 GCADHN CC[C@@H](N)C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000129683058 530217292 /nfs/dbraw/zinc/21/72/92/530217292.db2.gz IHHULLCWWDYBDL-ZYHUDNBSSA-N 0 3 378.210 0.884 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1F ZINC000267955693 530218535 /nfs/dbraw/zinc/21/85/35/530218535.db2.gz LMNIADXOZJEAID-OAHLLOKOSA-N 0 3 375.491 0.901 20 0 GCADHN Cn1cnc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1Cl ZINC000123137666 530273830 /nfs/dbraw/zinc/27/38/30/530273830.db2.gz BDIKLDXICBRORV-LLVKDONJSA-N 0 3 375.882 0.001 20 0 GCADHN Cn1cnc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1Cl ZINC000123137444 530273967 /nfs/dbraw/zinc/27/39/67/530273967.db2.gz BDIKLDXICBRORV-NSHDSACASA-N 0 3 375.882 0.001 20 0 GCADHN O=C(NCc1ccc(Cl)cc1I)C(=O)NC1CNC1 ZINC000561244778 530275194 /nfs/dbraw/zinc/27/51/94/530275194.db2.gz XQTJBFXTMCYTJS-UHFFFAOYSA-N 0 3 393.612 0.649 20 0 GCADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cncc(Br)c2)cn1 ZINC000150906774 530278887 /nfs/dbraw/zinc/27/88/87/530278887.db2.gz AMNBFHHTTHHZJG-UHFFFAOYSA-N 0 3 395.261 0.971 20 0 GCADHN CC1CCN(CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000561485962 530279432 /nfs/dbraw/zinc/27/94/32/530279432.db2.gz TXCVVPWOQGYPAH-GFCCVEGCSA-N 0 3 388.456 0.840 20 0 GCADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)[C@@H](C)CN1 ZINC000272560323 530281319 /nfs/dbraw/zinc/28/13/19/530281319.db2.gz LTHRBUXGIRTWMQ-BDAKNGLRSA-N 0 3 396.332 0.998 20 0 GCADHN C[C@@H](NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C1=CCN(C)CC1 ZINC000272749442 530282918 /nfs/dbraw/zinc/28/29/18/530282918.db2.gz DUIMASUBYBAQNS-OCCSQVGLSA-N 0 3 387.527 0.832 20 0 GCADHN COCCO[C@H]1COCC[C@@H]1NC(=O)NCC1(SC)CCN(C)CC1 ZINC000569635242 530287645 /nfs/dbraw/zinc/28/76/45/530287645.db2.gz UJPPDQVPHZXZQA-GJZGRUSLSA-N 0 3 375.535 0.934 20 0 GCADHN CCCN(C(=O)NCCS(=O)(=O)N1CCSCC1)[C@@H]1CCN(C)C1 ZINC000645268694 530287949 /nfs/dbraw/zinc/28/79/49/530287949.db2.gz CKWWUFDWSNVTLM-CQSZACIVSA-N 0 3 378.564 0.491 20 0 GCADHN NC(=O)[C@@H](Cc1ccccc1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000273485649 530288672 /nfs/dbraw/zinc/28/86/72/530288672.db2.gz MFPXNRXMDJZPTK-CQSZACIVSA-N 0 3 375.441 0.937 20 0 GCADHN CS[C@@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@H]1N1CCCC1 ZINC000273470593 530288870 /nfs/dbraw/zinc/28/88/70/530288870.db2.gz GXRHNTZEBFNNMH-UKRRQHHQSA-N 0 3 387.527 0.981 20 0 GCADHN COc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(OC)cc1Br ZINC000427948661 530290811 /nfs/dbraw/zinc/29/08/11/530290811.db2.gz WDMOJYBLBRHLDP-BWPRHRIFSA-N 0 3 377.260 0.962 20 0 GCADHN N[C@H]1C[C@H]2CN(CC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000564740300 530291527 /nfs/dbraw/zinc/29/15/27/530291527.db2.gz NEZDVKOJXYBRCN-JQWIXIFHSA-N 0 3 385.237 0.771 20 0 GCADHN O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)N[C@H]1CCN2CCCC[C@H]12 ZINC000269872403 530252978 /nfs/dbraw/zinc/25/29/78/530252978.db2.gz ZFLGVYRUHDYVNE-MELADBBJSA-N 0 3 387.527 0.809 20 0 GCADHN O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000269872405 530253130 /nfs/dbraw/zinc/25/31/30/530253130.db2.gz ZFLGVYRUHDYVNE-MJBXVCDLSA-N 0 3 387.527 0.809 20 0 GCADHN COc1ccc(Br)cc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000269881891 530253373 /nfs/dbraw/zinc/25/33/73/530253373.db2.gz IRZAKYIARADTBP-HNNXBMFYSA-N 0 3 388.262 0.825 20 0 GCADHN CN1CCN(CCCNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000269925803 530254343 /nfs/dbraw/zinc/25/43/43/530254343.db2.gz KBISSCKMDXPHFK-UHFFFAOYSA-N 0 3 392.884 0.494 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000269970867 530255209 /nfs/dbraw/zinc/25/52/09/530255209.db2.gz ZPEOZXZPHOMFJE-HNNXBMFYSA-N 0 3 377.894 0.633 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c(OC)c1 ZINC000564963545 530259573 /nfs/dbraw/zinc/25/95/73/530259573.db2.gz NQGQOUHZZTYCGE-GHMZBOCLSA-N 0 3 379.504 0.861 20 0 GCADHN CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000564967170 530260740 /nfs/dbraw/zinc/26/07/40/530260740.db2.gz TZQSCHGDSLQKHH-SECBINFHSA-N 0 3 389.421 0.543 20 0 GCADHN CON(C)S(=O)(=O)c1cccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000270620075 530262131 /nfs/dbraw/zinc/26/21/31/530262131.db2.gz GNNMAWVSSYHNMX-GJZGRUSLSA-N 0 3 387.527 0.986 20 0 GCADHN CN(CCOC[C@H]1CCCO1)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000560314829 530263012 /nfs/dbraw/zinc/26/30/12/530263012.db2.gz IZEGNLDQKUNCTH-CYBMUJFWSA-N 0 3 376.450 0.979 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1 ZINC000270749298 530263790 /nfs/dbraw/zinc/26/37/90/530263790.db2.gz IZKNARVDMZQHQB-GFCCVEGCSA-N 0 3 376.500 0.670 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cnn2cc(Br)cnc12 ZINC000560506507 530266682 /nfs/dbraw/zinc/26/66/82/530266682.db2.gz FHLXJYRUWLMQKN-OAHLLOKOSA-N 0 3 380.246 0.678 20 0 GCADHN COCCNCCNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1 ZINC000271117618 530267769 /nfs/dbraw/zinc/26/77/69/530267769.db2.gz ISCXYUPXXTZUGF-HNNXBMFYSA-N 0 3 389.543 0.439 20 0 GCADHN CS[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C[C@H]1N(C)C ZINC000271127439 530268152 /nfs/dbraw/zinc/26/81/52/530268152.db2.gz MDVOPULTYBSBKS-OCCSQVGLSA-N 0 3 391.584 0.957 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000271118495 530268351 /nfs/dbraw/zinc/26/83/51/530268351.db2.gz KJSNGJNOFXCUEG-ZIAGYGMSSA-N 0 3 390.531 0.057 20 0 GCADHN CS[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C[C@@H]1N(C)C ZINC000271127438 530268361 /nfs/dbraw/zinc/26/83/61/530268361.db2.gz MDVOPULTYBSBKS-JSGCOSHPSA-N 0 3 391.584 0.957 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccsc1 ZINC000120502988 530269661 /nfs/dbraw/zinc/26/96/61/530269661.db2.gz VZZONHBUUSZFFC-AWEZNQCLSA-N 0 3 385.515 0.791 20 0 GCADHN CN(CC(=O)NCCCNC(=O)CN(C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000583398210 530269872 /nfs/dbraw/zinc/26/98/72/530269872.db2.gz GHWPMCLGZHTXSJ-HUUCEWRRSA-N 0 3 388.603 0.484 20 0 GCADHN CN1CCN(C(=O)Nc2ccncc2I)[C@@H](CN)C1 ZINC000562756417 530295336 /nfs/dbraw/zinc/29/53/36/530295336.db2.gz UQMDMVZDLYKTFM-VIFPVBQESA-N 0 3 375.214 0.215 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(Br)cc1 ZINC000562821381 530295635 /nfs/dbraw/zinc/29/56/35/530295635.db2.gz VPDNMAANJLCKPR-BXUZGUMPSA-N 0 3 383.290 0.728 20 0 GCADHN CCN1CCN(CCNC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000274475584 530296983 /nfs/dbraw/zinc/29/69/83/530296983.db2.gz APOBWHTTXAYZRH-UHFFFAOYSA-N 0 3 387.278 0.526 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)CC1 ZINC000444139675 530300525 /nfs/dbraw/zinc/30/05/25/530300525.db2.gz JEJGMJZOJNWWBU-YOEHRIQHSA-N 0 3 375.535 0.839 20 0 GCADHN CCN(CCCNC(=O)NC1CCN(CCCOC)CC1)S(C)(=O)=O ZINC000588975031 530300803 /nfs/dbraw/zinc/30/08/03/530300803.db2.gz LZKBNTYKAPSQLB-UHFFFAOYSA-N 0 3 378.539 0.458 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)c1 ZINC000145925272 530304023 /nfs/dbraw/zinc/30/40/23/530304023.db2.gz AJQBFHNKRIXNDW-CQSZACIVSA-N 0 3 389.543 0.995 20 0 GCADHN CN1CCN(CCNC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1(C)C ZINC000635896966 530308062 /nfs/dbraw/zinc/30/80/62/530308062.db2.gz YSMHDJWEAMQVDS-NEPJUHHUSA-N 0 3 385.452 0.352 20 0 GCADHN CN(C)C1(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCC1 ZINC000275417749 530311286 /nfs/dbraw/zinc/31/12/86/530311286.db2.gz BYPBBNXQRVTHDM-UHFFFAOYSA-N 0 3 375.516 0.369 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc(I)c[nH]1 ZINC000569941513 530313425 /nfs/dbraw/zinc/31/34/25/530313425.db2.gz SSAIQECURSEWTK-CYBMUJFWSA-N 0 3 375.210 0.806 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C[C@@H]1CSCCN1 ZINC000569967702 530313767 /nfs/dbraw/zinc/31/37/67/530313767.db2.gz XKLMZOVXQRAYEJ-CQSZACIVSA-N 0 3 387.527 0.011 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c1 ZINC000275623883 530314089 /nfs/dbraw/zinc/31/40/89/530314089.db2.gz OWDWDYKUHPPDNT-UHFFFAOYSA-N 0 3 375.516 0.700 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NCC1CC[NH2+]CC1 ZINC000570029732 530314499 /nfs/dbraw/zinc/31/44/99/530314499.db2.gz NHQPIHRYXGTFAE-UHFFFAOYSA-N 0 3 376.429 0.542 20 0 GCADHN CCCN(CC)CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275700742 530314630 /nfs/dbraw/zinc/31/46/30/530314630.db2.gz FOYQMNYCRIVJIL-UHFFFAOYSA-N 0 3 377.532 0.947 20 0 GCADHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275750885 530315644 /nfs/dbraw/zinc/31/56/44/530315644.db2.gz JCLHPUAUAUSTME-ZIAGYGMSSA-N 0 3 389.543 0.898 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000570225717 530317265 /nfs/dbraw/zinc/31/72/65/530317265.db2.gz LVSCVHGADLOSOJ-JQWIXIFHSA-N 0 3 385.251 0.380 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000570225724 530317385 /nfs/dbraw/zinc/31/73/85/530317385.db2.gz LVSCVHGADLOSOJ-ZYHUDNBSSA-N 0 3 385.251 0.380 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC[C@@H]21 ZINC000155610644 530321279 /nfs/dbraw/zinc/32/12/79/530321279.db2.gz QYPBWIJGAPBMGD-PWSUYJOCSA-N 0 3 385.262 0.242 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC[C@@H]21 ZINC000155610644 530321281 /nfs/dbraw/zinc/32/12/81/530321281.db2.gz QYPBWIJGAPBMGD-PWSUYJOCSA-N 0 3 385.262 0.242 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC[C@@H]21 ZINC000155610536 530321408 /nfs/dbraw/zinc/32/14/08/530321408.db2.gz QYPBWIJGAPBMGD-JQWIXIFHSA-N 0 3 385.262 0.242 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC[C@@H]21 ZINC000155610536 530321409 /nfs/dbraw/zinc/32/14/09/530321409.db2.gz QYPBWIJGAPBMGD-JQWIXIFHSA-N 0 3 385.262 0.242 20 0 GCADHN CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000570727652 530323742 /nfs/dbraw/zinc/32/37/42/530323742.db2.gz SDADBTRCIPFWTH-CYBMUJFWSA-N 0 3 375.516 0.134 20 0 GCADHN NC(C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)C(F)(F)F ZINC000570843524 530326102 /nfs/dbraw/zinc/32/61/02/530326102.db2.gz BPFUUUPSPZCDFG-NSHDSACASA-N 0 3 387.330 0.687 20 0 GCADHN CN(Cc1ccccc1Br)C(=O)CCNC(=O)CN1CCNCC1 ZINC000637989906 530355480 /nfs/dbraw/zinc/35/54/80/530355480.db2.gz RXRSEKBFIAPSTR-UHFFFAOYSA-N 0 3 397.317 0.819 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1C ZINC000644348646 530356148 /nfs/dbraw/zinc/35/61/48/530356148.db2.gz KWBWXSDOFKZQSZ-INIZCTEOSA-N 0 3 387.527 0.619 20 0 GCADHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000281415451 530358580 /nfs/dbraw/zinc/35/85/80/530358580.db2.gz IEIIOOHTQTWFNJ-UHFFFAOYSA-N 0 3 375.516 0.982 20 0 GCADHN CN(Cc1ccccc1)C[C@@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000644550550 530358597 /nfs/dbraw/zinc/35/85/97/530358597.db2.gz KFUBPAKERMYPEB-KRWDZBQOSA-N 0 3 387.571 0.448 20 0 GCADHN CN(C)CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCC1 ZINC000281578762 530360801 /nfs/dbraw/zinc/36/08/01/530360801.db2.gz QDBUOYHDIQPLFQ-UHFFFAOYSA-N 0 3 375.516 0.700 20 0 GCADHN CN(C)CC1(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCC1 ZINC000281662389 530361322 /nfs/dbraw/zinc/36/13/22/530361322.db2.gz JAGNTGMLIPMPNN-UHFFFAOYSA-N 0 3 386.543 0.966 20 0 GCADHN N[C@@H](Cc1ccccc1)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000178125811 530363536 /nfs/dbraw/zinc/36/35/36/530363536.db2.gz QEUJNXYJLRDZPR-AWEZNQCLSA-N 0 3 375.441 0.937 20 0 GCADHN COC(=O)C1(CS(=O)(=O)N(C)CCN(C)C2CCN(C)CC2)CCC1 ZINC000462099757 530363583 /nfs/dbraw/zinc/36/35/83/530363583.db2.gz DGDLVAZYZKVJBP-UHFFFAOYSA-N 0 3 375.535 0.617 20 0 GCADHN Cn1cc(CNC[C@@H](O)COc2ccccc2Br)c(=O)n(C)c1=O ZINC000178455080 530364249 /nfs/dbraw/zinc/36/42/49/530364249.db2.gz NTQQUIQTADOEGS-GFCCVEGCSA-N 0 3 398.257 0.376 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000281924199 530364423 /nfs/dbraw/zinc/36/44/23/530364423.db2.gz LAHNSPPRCGDYAY-ZIAGYGMSSA-N 0 3 387.527 0.700 20 0 GCADHN CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1 ZINC000281995750 530365526 /nfs/dbraw/zinc/36/55/26/530365526.db2.gz RFHYVOSEXWDJJH-CYBMUJFWSA-N 0 3 375.516 0.557 20 0 GCADHN CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1 ZINC000281995750 530365527 /nfs/dbraw/zinc/36/55/27/530365527.db2.gz RFHYVOSEXWDJJH-CYBMUJFWSA-N 0 3 375.516 0.557 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000179727003 530367279 /nfs/dbraw/zinc/36/72/79/530367279.db2.gz RBKSNHVHPBTZOF-LLVKDONJSA-N 0 3 385.262 0.687 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccnc1Br)CN1CCN(C)CC1 ZINC000179728021 530367307 /nfs/dbraw/zinc/36/73/07/530367307.db2.gz LMPCUCOUGLIAQD-LBPRGKRZSA-N 0 3 398.305 0.782 20 0 GCADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000179729404 530367758 /nfs/dbraw/zinc/36/77/58/530367758.db2.gz HFYLPGCEOCDXPN-SNVBAGLBSA-N 0 3 387.278 0.933 20 0 GCADHN C[C@H]1C[C@H](N(C)C(=O)NCCS(=O)(=O)N2CCSCC2)CCN1C ZINC000332926913 530331866 /nfs/dbraw/zinc/33/18/66/530331866.db2.gz LDYKPUWFWOUDCF-UONOGXRCSA-N 0 3 378.564 0.489 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)c1 ZINC000277686497 530334202 /nfs/dbraw/zinc/33/42/02/530334202.db2.gz JJMJLYJLFPWODP-UHFFFAOYSA-N 0 3 387.527 0.747 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@H](C)NCCS(=O)(=O)N(C)C)CC1 ZINC000589354335 530344274 /nfs/dbraw/zinc/34/42/74/530344274.db2.gz SFGQJXWRAANAKY-ZDUSSCGKSA-N 0 3 377.507 0.048 20 0 GCADHN CC(C)N(CCCNC(=O)CN(CCO)[C@@H]1CC[C@@H](C)C1)S(C)(=O)=O ZINC000580261083 530349375 /nfs/dbraw/zinc/34/93/75/530349375.db2.gz RHCJWYSCVMUFGO-HZPDHXFCSA-N 0 3 377.551 0.646 20 0 GCADHN O=C(NCCNC[C@@H](O)COc1cccc(Br)c1)c1ccn[nH]1 ZINC000563014515 530350398 /nfs/dbraw/zinc/35/03/98/530350398.db2.gz XKXQLJBIKIEDSB-GFCCVEGCSA-N 0 3 383.246 0.932 20 0 GCADHN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H](CO)CN(C)C ZINC000590369351 530369609 /nfs/dbraw/zinc/36/96/09/530369609.db2.gz CUVJJRRBTNFCQV-DZGCQCFKSA-N 0 3 389.543 0.125 20 0 GCADHN O=C(CN1CCNCC1)NCCCNC(=O)c1ccc(Br)cc1 ZINC000637969537 530352385 /nfs/dbraw/zinc/35/23/85/530352385.db2.gz LCNLPLRMXKGMEA-UHFFFAOYSA-N 0 3 383.290 0.590 20 0 GCADHN C[C@H](N)[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000669405864 530374637 /nfs/dbraw/zinc/37/46/37/530374637.db2.gz ZOUOQXHSEKHTIY-SMDDNHRTSA-N 0 3 375.878 0.871 20 0 GCADHN CCN(CCO)CCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000183984282 530375166 /nfs/dbraw/zinc/37/51/66/530375166.db2.gz LWUQVMSJBBDRSM-UHFFFAOYSA-N 0 3 386.290 0.999 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CC1 ZINC000644800831 530393696 /nfs/dbraw/zinc/39/36/96/530393696.db2.gz FSJMGUQQGFYLDD-AWEZNQCLSA-N 0 3 376.519 0.538 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000184410776 530375638 /nfs/dbraw/zinc/37/56/38/530375638.db2.gz KYCNAQQXMPIJNL-CYBMUJFWSA-N 0 3 388.559 0.754 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cn1cc(Br)ccc1=O ZINC000184406199 530375712 /nfs/dbraw/zinc/37/57/12/530375712.db2.gz WCHSYOZYLCXZTH-ZDUSSCGKSA-N 0 3 385.306 0.753 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cn1cc(Br)ccc1=O ZINC000184406218 530375870 /nfs/dbraw/zinc/37/58/70/530375870.db2.gz WCHSYOZYLCXZTH-CYBMUJFWSA-N 0 3 385.306 0.753 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000282922066 530375911 /nfs/dbraw/zinc/37/59/11/530375911.db2.gz GJVRTJGBJCUJEV-VIFPVBQESA-N 0 3 383.348 0.578 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(Cl)c1Cl ZINC000580330467 530376774 /nfs/dbraw/zinc/37/67/74/530376774.db2.gz LBDYKNNBVFWMDU-RKDXNWHRSA-N 0 3 394.280 0.935 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000283089239 530377131 /nfs/dbraw/zinc/37/71/31/530377131.db2.gz QKPUBUQLHFYIFB-SNVBAGLBSA-N 0 3 375.834 0.242 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccc(Br)cc1F ZINC000283182371 530377911 /nfs/dbraw/zinc/37/79/11/530377911.db2.gz XCMSIKJVOMVTTH-SSDOTTSWSA-N 0 3 394.222 0.934 20 0 GCADHN CN(C)C[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccc(Cl)cc1 ZINC000283379085 530379184 /nfs/dbraw/zinc/37/91/84/530379184.db2.gz KYOMJPYRAXWPJL-CQSZACIVSA-N 0 3 385.877 0.603 20 0 GCADHN CN(C)[C@H]1CCCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000601354116 530380620 /nfs/dbraw/zinc/38/06/20/530380620.db2.gz MJGKUMYBECXGKO-LSDHHAIUSA-N 0 3 376.523 0.211 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000497354425 530382254 /nfs/dbraw/zinc/38/22/54/530382254.db2.gz GYRKDSNEDBEBCP-GHMZBOCLSA-N 0 3 375.878 0.871 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](C)C[NH2+]C)c(OC)c1 ZINC000497359914 530382692 /nfs/dbraw/zinc/38/26/92/530382692.db2.gz BQIVTIOYVYXVOQ-NSHDSACASA-N 0 3 379.504 0.591 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1F ZINC000497366057 530382786 /nfs/dbraw/zinc/38/27/86/530382786.db2.gz OLQPMIMDECTBDI-MFKMUULPSA-N 0 3 379.479 0.945 20 0 GCADHN O=C([C@H]1C[C@H](F)CN1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000188209320 530383159 /nfs/dbraw/zinc/38/31/59/530383159.db2.gz ATSYZNYVPHZNTC-GXTWGEPZSA-N 0 3 375.853 0.873 20 0 GCADHN O=C(Nc1cc(F)c(I)c(F)c1)C(=O)NC1CNC1 ZINC000582110323 530383908 /nfs/dbraw/zinc/38/39/08/530383908.db2.gz YQNFIBSNWRHPNR-UHFFFAOYSA-N 0 3 381.120 0.596 20 0 GCADHN CSc1nnc(CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)s1 ZINC000284154317 530384171 /nfs/dbraw/zinc/38/41/71/530384171.db2.gz RVVKEVZWJMJPNZ-ZDUSSCGKSA-N 0 3 375.545 0.430 20 0 GCADHN CCN1CCN(CCCCNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC000500775975 530384324 /nfs/dbraw/zinc/38/43/24/530384324.db2.gz AJEKVOJMZPGVPY-CVEARBPZSA-N 0 3 376.567 0.867 20 0 GCADHN CS[C@H]1CN(S(=O)(=O)CCCN2CCN(C)CC2)C[C@@H]1N1CCCC1 ZINC000601397862 530385622 /nfs/dbraw/zinc/38/56/22/530385622.db2.gz VNRSIMBLSPRCRM-IRXDYDNUSA-N 0 3 390.619 0.465 20 0 GCADHN C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000582112346 530386641 /nfs/dbraw/zinc/38/66/41/530386641.db2.gz AQFXTSPJDYLPLZ-SWLSCSKDSA-N 0 3 397.317 0.598 20 0 GCADHN C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000582112347 530386701 /nfs/dbraw/zinc/38/67/01/530386701.db2.gz AQFXTSPJDYLPLZ-WFASDCNBSA-N 0 3 397.317 0.598 20 0 GCADHN CSC1(CNS(=O)(=O)CCCN2CCN(C)CC2)CCN(C)CC1 ZINC000601415093 530387125 /nfs/dbraw/zinc/38/71/25/530387125.db2.gz BIJHZFNEYFSUEN-UHFFFAOYSA-N 0 3 378.608 0.371 20 0 GCADHN CN(C)CCCS(=O)(=O)NCc1nn(C)cc1I ZINC000601432498 530388441 /nfs/dbraw/zinc/38/84/41/530388441.db2.gz YDFGTSZMUCJFAO-UHFFFAOYSA-N 0 3 386.259 0.396 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000192175580 530390252 /nfs/dbraw/zinc/39/02/52/530390252.db2.gz RLDVRTHHYYHWCC-NSHDSACASA-N 0 3 384.278 0.561 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)COc1cccc(I)c1 ZINC000590370243 530369792 /nfs/dbraw/zinc/36/97/92/530369792.db2.gz WFGNKQKIBKLCTD-NSHDSACASA-N 0 3 378.210 0.709 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000181446958 530371217 /nfs/dbraw/zinc/37/12/17/530371217.db2.gz MYVOPSTZOBBHEE-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)c1 ZINC000497951627 530396382 /nfs/dbraw/zinc/39/63/82/530396382.db2.gz ASHGGRBZHNHWDU-GWCFXTLKSA-N 0 3 388.515 0.118 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000590750816 530400954 /nfs/dbraw/zinc/40/09/54/530400954.db2.gz BXZNBWOTKCHZOF-VXGBXAGGSA-N 0 3 388.408 0.607 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1 ZINC000286591767 530402119 /nfs/dbraw/zinc/40/21/19/530402119.db2.gz GJFOCCCAWIRSQR-CZUORRHYSA-N 0 3 387.527 0.842 20 0 GCADHN CN1CCN(CCCCNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000106266938 530403649 /nfs/dbraw/zinc/40/36/49/530403649.db2.gz IWXRXJWJJFVPOE-UHFFFAOYSA-N 0 3 389.543 0.396 20 0 GCADHN CC(=O)NCCc1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)s1 ZINC000591085506 530405881 /nfs/dbraw/zinc/40/58/81/530405881.db2.gz CHDOXQKSYZGLGB-UHFFFAOYSA-N 0 3 390.575 0.541 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000287229171 530407104 /nfs/dbraw/zinc/40/71/04/530407104.db2.gz PEIHQCSYFMRWMJ-JTQLQIEISA-N 0 3 383.392 0.930 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000287274491 530407147 /nfs/dbraw/zinc/40/71/47/530407147.db2.gz SSAQSGGDWDKUNF-LBPRGKRZSA-N 0 3 375.516 0.378 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1(C)C ZINC000645302847 530407868 /nfs/dbraw/zinc/40/78/68/530407868.db2.gz XZKAEJAIFFOCNQ-CXAGYDPISA-N 0 3 375.535 0.887 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000497918996 530395122 /nfs/dbraw/zinc/39/51/22/530395122.db2.gz XTDRAGYNKKIGJN-VIFPVBQESA-N 0 3 396.245 0.370 20 0 GCADHN CN1CCN(CCCNC(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC000592009217 530412351 /nfs/dbraw/zinc/41/23/51/530412351.db2.gz NQJDOGKODTWSHR-UHFFFAOYSA-N 0 3 381.428 0.081 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000592096764 530413589 /nfs/dbraw/zinc/41/35/89/530413589.db2.gz QONRCTVMPFTAOB-LLVKDONJSA-N 0 3 395.934 0.907 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000288103117 530414778 /nfs/dbraw/zinc/41/47/78/530414778.db2.gz ITEHMALPDVFMKZ-CYBMUJFWSA-N 0 3 386.543 0.844 20 0 GCADHN CSCC[C@H](N)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000592137620 530414874 /nfs/dbraw/zinc/41/48/74/530414874.db2.gz LXTVSMLXIFUWEU-ZDUSSCGKSA-N 0 3 387.531 0.182 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301730139 530415406 /nfs/dbraw/zinc/41/54/06/530415406.db2.gz XBBVZLNJVLGORV-NSHDSACASA-N 0 3 384.278 0.286 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN2CCCC[C@H]2CCNS(C)(=O)=O)C[C@H](C)O1 ZINC000592390200 530416351 /nfs/dbraw/zinc/41/63/51/530416351.db2.gz WVHXTGXDALNVLQ-YVSFHVDLSA-N 0 3 377.551 0.250 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)s1 ZINC000592482202 530417094 /nfs/dbraw/zinc/41/70/94/530417094.db2.gz DTQXGPDNMSMVSY-JTQLQIEISA-N 0 3 383.499 0.619 20 0 GCADHN CC1(C)CNCCN1C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000592473484 530417100 /nfs/dbraw/zinc/41/71/00/530417100.db2.gz WTTOQIQCOBJXCZ-UHFFFAOYSA-N 0 3 387.527 0.656 20 0 GCADHN CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000638324897 530417204 /nfs/dbraw/zinc/41/72/04/530417204.db2.gz FCBUSIVKCNFOPV-ABAIWWIYSA-N 0 3 377.413 0.126 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000592758387 530418406 /nfs/dbraw/zinc/41/84/06/530418406.db2.gz ZXTNNCBZSXKKQU-AWEZNQCLSA-N 0 3 398.305 0.976 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000288646173 530419843 /nfs/dbraw/zinc/41/98/43/530419843.db2.gz XUCDSDIPBRGSLE-STQMWFEESA-N 0 3 375.516 0.378 20 0 GCADHN O=C(NCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1ccc(Br)cc1 ZINC000647707231 530421443 /nfs/dbraw/zinc/42/14/43/530421443.db2.gz ZFGLWQUVESOCKP-LSDHHAIUSA-N 0 3 396.285 0.846 20 0 GCADHN O=C(NCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)c1ccc(Br)cc1 ZINC000647707228 530421861 /nfs/dbraw/zinc/42/18/61/530421861.db2.gz ZFGLWQUVESOCKP-CABCVRRESA-N 0 3 396.285 0.846 20 0 GCADHN CCN(C(=O)CN[C@H](CC(=O)OC(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000594038479 530426435 /nfs/dbraw/zinc/42/64/35/530426435.db2.gz AFWBSKVHURRABH-LSDHHAIUSA-N 0 3 376.519 0.978 20 0 GCADHN CO[C@@H](CN)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000289605907 530426519 /nfs/dbraw/zinc/42/65/19/530426519.db2.gz NZKQSGWGDXHYNL-LBPRGKRZSA-N 0 3 396.296 0.800 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000289671245 530426859 /nfs/dbraw/zinc/42/68/59/530426859.db2.gz JDKMIWZOTQVUJB-GFCCVEGCSA-N 0 3 390.303 0.938 20 0 GCADHN COCC[N@H+](C)CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289806787 530428197 /nfs/dbraw/zinc/42/81/97/530428197.db2.gz AFFXNRKOEIHELR-UHFFFAOYSA-N 0 3 398.312 0.966 20 0 GCADHN COCC[N@@H+](C)CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289806787 530428199 /nfs/dbraw/zinc/42/81/99/530428199.db2.gz AFFXNRKOEIHELR-UHFFFAOYSA-N 0 3 398.312 0.966 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000593922919 530425638 /nfs/dbraw/zinc/42/56/38/530425638.db2.gz QWZJEVGMQGATDX-OAHLLOKOSA-N 0 3 375.535 0.806 20 0 GCADHN COCCN1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000593910874 530425953 /nfs/dbraw/zinc/42/59/53/530425953.db2.gz GDOBHGDCGOPVJD-JTQLQIEISA-N 0 3 381.907 0.517 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000290798172 530436240 /nfs/dbraw/zinc/43/62/40/530436240.db2.gz FBQASPWGYRRJNY-JTQLQIEISA-N 0 3 378.292 0.794 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)NCCc1ccccc1C ZINC000290933305 530437518 /nfs/dbraw/zinc/43/75/18/530437518.db2.gz JMLHNJAFUWWARY-CQSZACIVSA-N 0 3 375.512 0.892 20 0 GCADHN Cc1cnc(Br)c(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000291197513 530439378 /nfs/dbraw/zinc/43/93/78/530439378.db2.gz AYPQGLGSEXGKBV-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN Cc1sc(Br)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875769 530442825 /nfs/dbraw/zinc/44/28/25/530442825.db2.gz YNRUZTRASSVCRT-RKDXNWHRSA-N 0 3 394.316 0.752 20 0 GCADHN CN(Cc1ccccc1Br)C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594874705 530442977 /nfs/dbraw/zinc/44/29/77/530442977.db2.gz PVFCEWSJQYWJBW-DZGCQCFKSA-N 0 3 395.301 0.651 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000594990708 530443401 /nfs/dbraw/zinc/44/34/01/530443401.db2.gz BBMRYOMOYDWEQH-AWEZNQCLSA-N 0 3 376.548 0.149 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000594851655 530441423 /nfs/dbraw/zinc/44/14/23/530441423.db2.gz QVRBQQMPXLFQRO-GARJFASQSA-N 0 3 386.392 0.801 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c(OC)c1 ZINC000292490569 530447088 /nfs/dbraw/zinc/44/70/88/530447088.db2.gz CKUXSIVHHLQEFW-LBPRGKRZSA-N 0 3 393.531 0.933 20 0 GCADHN CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595240364 530445130 /nfs/dbraw/zinc/44/51/30/530445130.db2.gz IQPHUVQTQROBQL-QWRGUYRKSA-N 0 3 382.873 0.771 20 0 GCADHN Cn1ncc(I)c1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000293577745 530454631 /nfs/dbraw/zinc/45/46/31/530454631.db2.gz CCERDBOARQELAJ-SNVBAGLBSA-N 0 3 392.241 0.601 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000531371638 530453172 /nfs/dbraw/zinc/45/31/72/530453172.db2.gz HKGQCLJPDYQNON-MRXNPFEDSA-N 0 3 392.591 0.927 20 0 GCADHN CNc1cc(I)ccc1C(=O)N[C@H](CO)CN(C)C ZINC000597653822 530459087 /nfs/dbraw/zinc/45/90/87/530459087.db2.gz NBRDUXJLSRNLLZ-JTQLQIEISA-N 0 3 377.226 0.985 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000295422452 530463518 /nfs/dbraw/zinc/46/35/18/530463518.db2.gz KEBGQYYIRVZOBK-OLZOCXBDSA-N 0 3 375.516 0.378 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCCN(CCCO)C1 ZINC000295457754 530464002 /nfs/dbraw/zinc/46/40/02/530464002.db2.gz MMIMXANNAVTASS-AWEZNQCLSA-N 0 3 389.905 0.581 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(Br)cn1 ZINC000365195663 530465502 /nfs/dbraw/zinc/46/55/02/530465502.db2.gz FOBARLMHWGRVRI-NWDGAFQWSA-N 0 3 383.246 0.762 20 0 GCADHN COCCN(C)CCCNC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000298646859 530482181 /nfs/dbraw/zinc/48/21/81/530482181.db2.gz FXKHLZUKUJMBID-UHFFFAOYSA-N 0 3 375.466 0.774 20 0 GCADHN C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CN1CCCC1 ZINC000298832994 530483985 /nfs/dbraw/zinc/48/39/85/530483985.db2.gz XQJDKTJYODBDNK-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3cc(Br)c4nccn4c3)CCN2C1=O ZINC000602524481 530484119 /nfs/dbraw/zinc/48/41/19/530484119.db2.gz KHPYGNJQMRCYAN-JQWIXIFHSA-N 0 3 378.230 0.481 20 0 GCADHN CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588765 530484466 /nfs/dbraw/zinc/48/44/66/530484466.db2.gz QFIJABBHDGYBQI-OBJOEFQTSA-N 0 3 387.502 0.798 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599459534 530472604 /nfs/dbraw/zinc/47/26/04/530472604.db2.gz FYHHEGVIHPBYTJ-WCFLWFBJSA-N 0 3 391.408 0.513 20 0 GCADHN CCN(CCN)C(=O)C(=O)Nc1cc(C)c(I)cn1 ZINC000599891042 530475030 /nfs/dbraw/zinc/47/50/30/530475030.db2.gz KIXJDBDTZLZAPU-UHFFFAOYSA-N 0 3 376.198 0.740 20 0 GCADHN CCO[C@@H]1C[C@@H](NCCS(=O)(=O)NC[C@@H]2CCCCO2)[C@]12CCCO2 ZINC000638637740 530475165 /nfs/dbraw/zinc/47/51/65/530475165.db2.gz APXZPZQFJTXFQZ-YLFCFFPRSA-N 0 3 376.519 0.791 20 0 GCADHN Cn1ncc(I)c1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599941510 530475798 /nfs/dbraw/zinc/47/57/98/530475798.db2.gz WPZFNVRTTYJUEN-VHSXEESVSA-N 0 3 390.225 0.306 20 0 GCADHN O=C(c1cncc(I)c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599936676 530475882 /nfs/dbraw/zinc/47/58/82/530475882.db2.gz ASIPQWHECBKDPY-STQMWFEESA-N 0 3 387.221 0.967 20 0 GCADHN CS(=O)(=O)NC1CN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000636679208 530476490 /nfs/dbraw/zinc/47/64/90/530476490.db2.gz RWEMTTMTFMJISO-CYBMUJFWSA-N 0 3 386.543 0.903 20 0 GCADHN CC1CCN(C[C@@H](O)CNC(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000604789688 530498602 /nfs/dbraw/zinc/49/86/02/530498602.db2.gz AUFJAQXEUATZQX-INIZCTEOSA-N 0 3 375.535 0.401 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000653414077 530498870 /nfs/dbraw/zinc/49/88/70/530498870.db2.gz KAXQDCJFRCBVON-UHFFFAOYSA-N 0 3 387.527 0.712 20 0 GCADHN COCCN(C)C[C@@H](O)CN(C)CC(=O)Nc1ccc(Br)cn1 ZINC000647962758 530498924 /nfs/dbraw/zinc/49/89/24/530498924.db2.gz RUESFLZQWOCVFF-CYBMUJFWSA-N 0 3 389.294 0.654 20 0 GCADHN O=S(=O)(NCc1cn(CCSC2CCCCC2)nn1)N1CCNCC1 ZINC000603242663 530488286 /nfs/dbraw/zinc/48/82/86/530488286.db2.gz PABGEHHLLLRSDZ-UHFFFAOYSA-N 0 3 388.563 0.584 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000522766013 530489055 /nfs/dbraw/zinc/48/90/55/530489055.db2.gz FLFJCDWWPJAMQL-AWEZNQCLSA-N 0 3 378.564 0.539 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000603538725 530490900 /nfs/dbraw/zinc/49/09/00/530490900.db2.gz GAWLLCXECVWRLH-HNNXBMFYSA-N 0 3 375.539 0.385 20 0 GCADHN CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000563094943 530492256 /nfs/dbraw/zinc/49/22/56/530492256.db2.gz LDQRTGIRKWHBNG-CMPLNLGQSA-N 0 3 379.841 0.251 20 0 GCADHN C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)[NH+](C)C ZINC000299655251 530492891 /nfs/dbraw/zinc/49/28/91/530492891.db2.gz WPDGEQDNMPDNAD-QMMMGPOBSA-N 0 3 384.321 0.855 20 0 GCADHN O=S(=O)(NC[C@H]1CNCCO1)c1cc(Br)cc2c1OCC2 ZINC000333839616 530493945 /nfs/dbraw/zinc/49/39/45/530493945.db2.gz KWIBJKMMKLNEGV-LLVKDONJSA-N 0 3 377.260 0.651 20 0 GCADHN CN1CCC[C@H](N2CCN(C(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)C1 ZINC000604351992 530495394 /nfs/dbraw/zinc/49/53/94/530495394.db2.gz KJAQUZKMVLSOBR-ZDUSSCGKSA-N 0 3 386.543 0.176 20 0 GCADHN C[C@H](CCCO)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000563142786 530495648 /nfs/dbraw/zinc/49/56/48/530495648.db2.gz PAMWQHIXXLUWHC-CYBMUJFWSA-N 0 3 378.516 0.461 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000669201816 530503644 /nfs/dbraw/zinc/50/36/44/530503644.db2.gz WECUPFVRNKLSHH-NSHDSACASA-N 0 3 387.527 0.757 20 0 GCADHN CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N(C)C1CNC1 ZINC000415729744 530504181 /nfs/dbraw/zinc/50/41/81/530504181.db2.gz CACZJRSBDXIPEO-UHFFFAOYSA-N 0 3 384.230 0.995 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@H](N)c1ccccc1)C(F)(F)F ZINC000415729909 530504220 /nfs/dbraw/zinc/50/42/20/530504220.db2.gz UZSGFKUAMWIPGO-RYUDHWBXSA-N 0 3 382.408 0.808 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)NC[C@@H](N)c1ccccc1)C(F)(F)F ZINC000415729905 530504226 /nfs/dbraw/zinc/50/42/26/530504226.db2.gz UZSGFKUAMWIPGO-NEPJUHHUSA-N 0 3 382.408 0.808 20 0 GCADHN CN(C(=O)C(=O)Nc1cc(F)c(F)cc1I)C1CNC1 ZINC000415745649 530504519 /nfs/dbraw/zinc/50/45/19/530504519.db2.gz RGMUPXIFVRKGGW-UHFFFAOYSA-N 0 3 395.147 0.938 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415860478 530504850 /nfs/dbraw/zinc/50/48/50/530504850.db2.gz HPPDDHAQTKPVPP-MRVPVSSYSA-N 0 3 378.173 0.770 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415872737 530505148 /nfs/dbraw/zinc/50/51/48/530505148.db2.gz XCQSAJZQTOHGJX-MRVPVSSYSA-N 0 3 378.173 0.770 20 0 GCADHN COc1cc(I)ccc1NC(=O)C(=O)N(C)CCN ZINC000415875379 530505422 /nfs/dbraw/zinc/50/54/22/530505422.db2.gz DATODPIEMVBKQQ-UHFFFAOYSA-N 0 3 377.182 0.655 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000416422129 530508357 /nfs/dbraw/zinc/50/83/57/530508357.db2.gz IZLFBDGYNJBEGZ-JTQLQIEISA-N 0 3 375.422 0.895 20 0 GCADHN C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000164533996 530501767 /nfs/dbraw/zinc/50/17/67/530501767.db2.gz CYVAIJKNCZXCEH-PWSUYJOCSA-N 0 3 385.262 0.242 20 0 GCADHN C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000164533996 530501769 /nfs/dbraw/zinc/50/17/69/530501769.db2.gz CYVAIJKNCZXCEH-PWSUYJOCSA-N 0 3 385.262 0.242 20 0 GCADHN CCOC[C@@H](C)CS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 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0.784 20 0 GCADHN O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC[C@H](N2CCCC2)C1 ZINC000366261654 530518287 /nfs/dbraw/zinc/51/82/87/530518287.db2.gz VYTDJSTZCBJJFJ-HNNXBMFYSA-N 0 3 387.527 0.465 20 0 GCADHN C[NH2+]C[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000237227201 530519621 /nfs/dbraw/zinc/51/96/21/530519621.db2.gz RNSVYIVNCUDXHL-SECBINFHSA-N 0 3 396.332 0.999 20 0 GCADHN CCN1CCC[C@@H](CNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000330426972 530519744 /nfs/dbraw/zinc/51/97/44/530519744.db2.gz GZFOUQSUZUJXQO-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000237451190 530519827 /nfs/dbraw/zinc/51/98/27/530519827.db2.gz UFTCVBLQQPYMFM-MRVPVSSYSA-N 0 3 382.305 0.691 20 0 GCADHN [NH3+]C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000237869028 530520079 /nfs/dbraw/zinc/52/00/79/530520079.db2.gz GXLDFAWFLRNOOP-QMMMGPOBSA-N 0 3 382.305 0.642 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC(N(C)C)CC1 ZINC000330445551 530520674 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388.287 0.690 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)CCN2C1=O ZINC000566495073 530531615 /nfs/dbraw/zinc/53/16/15/530531615.db2.gz CMFNLOYDZRFFHR-PELKAZGASA-N 0 3 381.351 0.777 20 0 GCADHN CS(=O)(=O)c1cccc(S(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000443312733 530532739 /nfs/dbraw/zinc/53/27/39/530532739.db2.gz GXLXVNDDFOPQFD-UHFFFAOYSA-N 0 3 376.500 0.073 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000566875368 530535565 /nfs/dbraw/zinc/53/55/65/530535565.db2.gz YQBAZLUYCIBGSK-UHFFFAOYSA-N 0 3 375.516 0.566 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)CCN2C1=O ZINC000566984997 530535926 /nfs/dbraw/zinc/53/59/26/530535926.db2.gz ZEVXGTVPXYTFSM-GXSJLCMTSA-N 0 3 392.250 0.521 20 0 GCADHN C[C@@H]1CN(S(=O)(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)[C@@H](C)CO1 ZINC000443507409 530536112 /nfs/dbraw/zinc/53/61/12/530536112.db2.gz GNHGGQQIPSXHTR-XOSAIJSUSA-N 0 3 375.535 0.698 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)[C@H](CN)C1 ZINC000566964058 530536183 /nfs/dbraw/zinc/53/61/83/530536183.db2.gz CZHYPYJUKHEWIC-LLVKDONJSA-N 0 3 389.287 0.018 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000331042287 530536464 /nfs/dbraw/zinc/53/64/64/530536464.db2.gz RBDMFCCSXQNABH-UHFFFAOYSA-N 0 3 375.535 0.664 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000443667238 530537422 /nfs/dbraw/zinc/53/74/22/530537422.db2.gz OTUPEJLWXJUCMN-JONQDZQNSA-N 0 3 377.551 0.956 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCc2ccccc2C1 ZINC000567292677 530540780 /nfs/dbraw/zinc/54/07/80/530540780.db2.gz XNPMNMLDSBGZAC-KCXAZCMYSA-N 0 3 385.507 0.651 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)C1(C)C ZINC000444130811 530542157 /nfs/dbraw/zinc/54/21/57/530542157.db2.gz MUBWLFFIYNWYGQ-WMLDXEAASA-N 0 3 375.535 0.791 20 0 GCADHN CC(C)N(C)CCNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000444175245 530543411 /nfs/dbraw/zinc/54/34/11/530543411.db2.gz JOXKILHIJXJUJB-UHFFFAOYSA-N 0 3 375.516 0.845 20 0 GCADHN COCCN(C(=O)CN[C@@H]1[C@H](C)[C@H](OC)C1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000451499382 530582882 /nfs/dbraw/zinc/58/28/82/530582882.db2.gz FGOZEWNFRLQWNS-UGQVUOCMSA-N 0 3 376.519 0.298 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000446730780 530554766 /nfs/dbraw/zinc/55/47/66/530554766.db2.gz ZVKSLWCATPGUDU-RYUDHWBXSA-N 0 3 394.540 0.790 20 0 GCADHN CO[C@@]1(C)C[C@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1(C)C ZINC000451497972 530583029 /nfs/dbraw/zinc/58/30/29/530583029.db2.gz WJUPBRPPTKXTIG-YOEHRIQHSA-N 0 3 377.551 0.956 20 0 GCADHN C[C@H](CN1CCOCC1)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000180650368 530556961 /nfs/dbraw/zinc/55/69/61/530556961.db2.gz YOEQJIQVZXNLNA-CYBMUJFWSA-N 0 3 387.468 0.995 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000447136275 530557439 /nfs/dbraw/zinc/55/74/39/530557439.db2.gz NIDFICSFFJVPFE-UHFFFAOYSA-N 0 3 398.305 0.879 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)s3)CCN2C1=O ZINC000568268096 530557839 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GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1F ZINC000447242146 530559558 /nfs/dbraw/zinc/55/95/58/530559558.db2.gz FIHSRWVMTLEYRL-GWCFXTLKSA-N 0 3 379.479 0.945 20 0 GCADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@@H](OC)C2CCOCC2)C1 ZINC000639101681 530561752 /nfs/dbraw/zinc/56/17/52/530561752.db2.gz FOMVAYHBZQYLRN-DLBZAZTESA-N 0 3 378.535 0.800 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639313875 530583278 /nfs/dbraw/zinc/58/32/78/530583278.db2.gz AHCVBFQBTLDGQG-UHFFFAOYSA-N 0 3 376.910 0.439 20 0 GCADHN CN(C)[C@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1CCCCC1 ZINC000447781980 530563066 /nfs/dbraw/zinc/56/30/66/530563066.db2.gz WBYAHTQIUWQMDX-OAHLLOKOSA-N 0 3 383.580 0.698 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3ccccc3I)CCN2C1=O ZINC000568883160 530564620 /nfs/dbraw/zinc/56/46/20/530564620.db2.gz DLBKQSWHLHEUEK-SKDRFNHKSA-N 0 3 385.205 0.675 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3ccccc3I)CCN2C1=O ZINC000568883159 530564695 /nfs/dbraw/zinc/56/46/95/530564695.db2.gz DLBKQSWHLHEUEK-JOYOIKCWSA-N 0 3 385.205 0.675 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000449444208 530566845 /nfs/dbraw/zinc/56/68/45/530566845.db2.gz ZCLHHOUCXTUZQU-LLVKDONJSA-N 0 3 393.893 0.630 20 0 GCADHN COC(=O)COC[C@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000449306013 530567054 /nfs/dbraw/zinc/56/70/54/530567054.db2.gz VGGREXODVIOETD-JTQLQIEISA-N 0 3 382.841 0.925 20 0 GCADHN O=S(=O)(NC[C@@H]1CCCN(C[C@H](O)COC[C@@H]2CCCO2)C1)C1CC1 ZINC000518828507 530567065 /nfs/dbraw/zinc/56/70/65/530567065.db2.gz LQGBRUJUBQMNSW-JYJNAYRXSA-N 0 3 376.519 0.337 20 0 GCADHN CC(C(=O)N1CCCCCC1)S(=O)(=O)Cc1nnnn1CC(F)(F)F ZINC000190809866 530567396 /nfs/dbraw/zinc/56/73/96/530567396.db2.gz INISVLMSRRFAQV-SNVBAGLBSA-N 0 3 383.396 0.941 20 0 GCADHN CC(C(=O)NC1CCCCC1)S(=O)(=O)Cc1nnnn1CC(F)(F)F ZINC000190809710 530567539 /nfs/dbraw/zinc/56/75/39/530567539.db2.gz QRLQJTWXCSLUGK-VIFPVBQESA-N 0 3 383.396 0.988 20 0 GCADHN CCN(C(=O)NC1CCN(CCN(C)C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000113588765 530583502 /nfs/dbraw/zinc/58/35/02/530583502.db2.gz LVCMYYPHSRRKKY-HNNXBMFYSA-N 0 3 376.567 0.867 20 0 GCADHN Cc1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1I ZINC000580347457 530568727 /nfs/dbraw/zinc/56/87/27/530568727.db2.gz XKBFVBMTYDOXDL-PWSUYJOCSA-N 0 3 399.232 0.984 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3OC(F)(F)F)CCN2C1=O ZINC000569238367 530568989 /nfs/dbraw/zinc/56/89/89/530568989.db2.gz PMJONDCJHIXMGF-ZJUUUORDSA-N 0 3 379.360 0.518 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000451192096 530574718 /nfs/dbraw/zinc/57/47/18/530574718.db2.gz HUOHPJSJYSLXNH-BDAKNGLRSA-N 0 3 383.410 0.565 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000451191770 530574838 /nfs/dbraw/zinc/57/48/38/530574838.db2.gz NNXPPFQNXYMUON-LPEHRKFASA-N 0 3 397.437 0.954 20 0 GCADHN CN1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)[C@H](CN)C1 ZINC000573091807 530575161 /nfs/dbraw/zinc/57/51/61/530575161.db2.gz DDQHADLYISOOQA-CQSZACIVSA-N 0 3 398.305 0.463 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@H](OCCO)C1 ZINC000451225475 530575382 /nfs/dbraw/zinc/57/53/82/530575382.db2.gz GMIIAMVDANQURE-QWRGUYRKSA-N 0 3 377.381 0.674 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 ZINC000451223735 530575730 /nfs/dbraw/zinc/57/57/30/530575730.db2.gz AKUZIHRARCCRIO-LLVKDONJSA-N 0 3 390.424 0.589 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000451238372 530575763 /nfs/dbraw/zinc/57/57/63/530575763.db2.gz YOWXEYIYPBWKGO-BDAKNGLRSA-N 0 3 381.394 0.319 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000451280214 530576572 /nfs/dbraw/zinc/57/65/72/530576572.db2.gz GIQMADAHMPERRR-MFKMUULPSA-N 0 3 386.392 0.802 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@H](CC(=O)OC)C1 ZINC000451282663 530576663 /nfs/dbraw/zinc/57/66/63/530576663.db2.gz CWVWGSUYPLQESO-NXEZZACHSA-N 0 3 391.364 0.464 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(OCCO)CC1 ZINC000451346462 530577445 /nfs/dbraw/zinc/57/74/45/530577445.db2.gz SHHJOSNTSNEORO-LLVKDONJSA-N 0 3 377.381 0.674 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(O)(COC)CC1 ZINC000451343934 530577475 /nfs/dbraw/zinc/57/74/75/530577475.db2.gz AILPNFHXESWECS-JTQLQIEISA-N 0 3 377.381 0.674 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@@H]1CC(C)=O ZINC000451389076 530579205 /nfs/dbraw/zinc/57/92/05/530579205.db2.gz PIYCXDCGMLEWCQ-WDEREUQCSA-N 0 3 375.365 0.880 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000451393208 530579803 /nfs/dbraw/zinc/57/98/03/530579803.db2.gz ONTICLHBLVYCTF-VHSXEESVSA-N 0 3 395.421 0.709 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](C)O[C@H](COC)C1 ZINC000451447961 530580610 /nfs/dbraw/zinc/58/06/10/530580610.db2.gz SBVJEFAVWFVGOP-OUAUKWLOSA-N 0 3 377.381 0.936 20 0 GCADHN O=S(=O)([N-]CCNC[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000629579134 530581771 /nfs/dbraw/zinc/58/17/71/530581771.db2.gz ZCWOOQXGGYHTBB-CYBMUJFWSA-N 0 3 379.885 0.804 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000451476778 530582332 /nfs/dbraw/zinc/58/23/32/530582332.db2.gz GAAIBWGKZWYVKF-NEPJUHHUSA-N 0 3 390.424 0.853 20 0 GCADHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000445773724 530551231 /nfs/dbraw/zinc/55/12/31/530551231.db2.gz LQDIULMVDPHVTJ-PWSUYJOCSA-N 0 3 388.877 0.560 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)C2(C[NH3+])CCC2)s1 ZINC000574278903 530589181 /nfs/dbraw/zinc/58/91/81/530589181.db2.gz LMUXZXYDUIGRAR-UHFFFAOYSA-N 0 3 388.515 0.002 20 0 GCADHN N[C@@H]1C[C@@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)CCN2C1=O ZINC000574339859 530590221 /nfs/dbraw/zinc/59/02/21/530590221.db2.gz ORVBTAXRFBOAHN-ZYHUDNBSSA-N 0 3 397.302 0.899 20 0 GCADHN CS(=O)(=O)C1(C(=O)N2CCN(c3ncccc3Cl)CC2)CCNCC1 ZINC000574401671 530590617 /nfs/dbraw/zinc/59/06/17/530590617.db2.gz OQHOKQFOQJFXAM-UHFFFAOYSA-N 0 3 386.905 0.550 20 0 GCADHN COC(=O)C1(CS(=O)(=O)NCCN2CCN(C)C(C)(C)C2)CCCC1 ZINC000519231452 530590679 /nfs/dbraw/zinc/59/06/79/530590679.db2.gz BAAOMUNSNMGZLP-UHFFFAOYSA-N 0 3 375.535 0.665 20 0 GCADHN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)C(=O)NC1CNC1 ZINC000583615335 530591980 /nfs/dbraw/zinc/59/19/80/530591980.db2.gz RSWANVWHPYIILX-UHFFFAOYSA-N 0 3 378.230 0.339 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)CCOC2CNC2)s1 ZINC000574683817 530594036 /nfs/dbraw/zinc/59/40/36/530594036.db2.gz WSGABAAORCXFPB-UHFFFAOYSA-N 0 3 389.543 0.816 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000575094626 530596838 /nfs/dbraw/zinc/59/68/38/530596838.db2.gz HTZASUKPQHRMSK-CVEARBPZSA-N 0 3 375.535 0.544 20 0 GCADHN CN1CCN(CCCNC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000171443291 530597095 /nfs/dbraw/zinc/59/70/95/530597095.db2.gz MVYJUKBTXKBCMN-UHFFFAOYSA-N 0 3 397.317 0.933 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@H](CN)C1 ZINC000519814381 530600850 /nfs/dbraw/zinc/60/08/50/530600850.db2.gz RBSMNMSNXBGKFT-QLFBSQMISA-N 0 3 395.301 0.523 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@H]1CCC[NH2+]C1 ZINC000417933798 530601090 /nfs/dbraw/zinc/60/10/90/530601090.db2.gz RWSKVFKOKIKWBE-JTQLQIEISA-N 0 3 380.923 0.979 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452347118 530602533 /nfs/dbraw/zinc/60/25/33/530602533.db2.gz IFYYBOQGZXEHDS-HOTGVXAUSA-N 0 3 375.535 0.544 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452376337 530603276 /nfs/dbraw/zinc/60/32/76/530603276.db2.gz OFFGHVWJWTZYNY-HOTGVXAUSA-N 0 3 375.535 0.544 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCN1CCCO ZINC000452349400 530603540 /nfs/dbraw/zinc/60/35/40/530603540.db2.gz MPSQTOUMGPOHGU-CQSZACIVSA-N 0 3 389.905 0.581 20 0 GCADHN CCCCN(C(=O)C(C)S(=O)(=O)C1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000532194009 530603922 /nfs/dbraw/zinc/60/39/22/530603922.db2.gz LFNBKZUVPHQVCN-KBPBESRZSA-N 0 3 395.543 0.785 20 0 GCADHN CC[C@@H](O)CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000576040802 530604276 /nfs/dbraw/zinc/60/42/76/530604276.db2.gz UIOVEOQPUFAUIS-CYBMUJFWSA-N 0 3 378.516 0.461 20 0 GCADHN C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000669541368 530604473 /nfs/dbraw/zinc/60/44/73/530604473.db2.gz YRMNOYDPSSNELR-NXEZZACHSA-N 0 3 396.922 0.437 20 0 GCADHN Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000453571466 530607916 /nfs/dbraw/zinc/60/79/16/530607916.db2.gz MLIQCJCSTXJYTA-SECBINFHSA-N 0 3 376.226 0.874 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NC[C@@H]1CNCCO1 ZINC000576743500 530611482 /nfs/dbraw/zinc/61/14/82/530611482.db2.gz AFPZREWTYHXJHQ-ZDUSSCGKSA-N 0 3 387.527 0.570 20 0 GCADHN COc1cc(Cl)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Cl ZINC000576718626 530611554 /nfs/dbraw/zinc/61/15/54/530611554.db2.gz GAROTYIDWCLUMX-KCJUWKMLSA-N 0 3 394.280 0.935 20 0 GCADHN COCCN(C)CCCNC(=O)NCCn1cc(Br)ccc1=O ZINC000454592896 530611629 /nfs/dbraw/zinc/61/16/29/530611629.db2.gz BMOJEYKIZDGLPE-UHFFFAOYSA-N 0 3 389.294 0.878 20 0 GCADHN CN(C)S(=O)(=O)c1ccsc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000576815100 530612169 /nfs/dbraw/zinc/61/21/69/530612169.db2.gz GGZGQYVWLHZCIL-NWDGAFQWSA-N 0 3 383.499 0.299 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc(I)cc3)CCN2C1=O ZINC000576836691 530612471 /nfs/dbraw/zinc/61/24/71/530612471.db2.gz AABNOZCXXGLDKO-NEPJUHHUSA-N 0 3 385.205 0.675 20 0 GCADHN O=S1(=O)CCO[C@@H](CNC[C@H](O)COc2ccc(Br)cc2)C1 ZINC000576864085 530613218 /nfs/dbraw/zinc/61/32/18/530613218.db2.gz PRWODYHGQCLXDC-JSGCOSHPSA-N 0 3 394.287 0.592 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC000451573557 530584986 /nfs/dbraw/zinc/58/49/86/530584986.db2.gz JRUMPGXSTXWVOI-VHSXEESVSA-N 0 3 395.421 0.567 20 0 GCADHN CC(C)[C@H](CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1)N1CCC(C)CC1 ZINC000535787747 530585189 /nfs/dbraw/zinc/58/51/89/530585189.db2.gz DEJXGCJZYHXAIM-CVEARBPZSA-N 0 3 375.535 0.856 20 0 GCADHN N[C@H]1C[C@H]2CN(CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053268 530586436 /nfs/dbraw/zinc/58/64/36/530586436.db2.gz ARABTGVPTMKPTK-JSGCOSHPSA-N 0 3 385.295 0.896 20 0 GCADHN Cc1ccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c(Br)c1 ZINC000574053499 530586484 /nfs/dbraw/zinc/58/64/84/530586484.db2.gz DEZBBMXBFKUIGR-WCQYABFASA-N 0 3 381.274 0.940 20 0 GCADHN Cc1ccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(Br)c1 ZINC000574053495 530586609 /nfs/dbraw/zinc/58/66/09/530586609.db2.gz DEZBBMXBFKUIGR-AAEUAGOBSA-N 0 3 381.274 0.940 20 0 GCADHN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000577651294 530623331 /nfs/dbraw/zinc/62/33/31/530623331.db2.gz FUYPRDATUJYXKE-MNOVXSKESA-N 0 3 382.873 0.771 20 0 GCADHN CN(C)C1(CN(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCC1 ZINC000330040826 530623922 /nfs/dbraw/zinc/62/39/22/530623922.db2.gz FXVPLAFPTBZJHN-UHFFFAOYSA-N 0 3 381.564 0.404 20 0 GCADHN C[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)CN1CCCCC1 ZINC000330034267 530624124 /nfs/dbraw/zinc/62/41/24/530624124.db2.gz AYDJUYYEKGHIEP-OAHLLOKOSA-N 0 3 395.591 0.699 20 0 GCADHN CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@@H]2CN2CCCC2)CC1 ZINC000330038634 530624280 /nfs/dbraw/zinc/62/42/80/530624280.db2.gz FASBPOIBSLDYDE-MRXNPFEDSA-N 0 3 393.575 0.548 20 0 GCADHN C[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)N1CCC(C)CC1 ZINC000330042386 530624382 /nfs/dbraw/zinc/62/43/82/530624382.db2.gz GRJFQMAZWPGCBG-OAHLLOKOSA-N 0 3 395.591 0.698 20 0 GCADHN C[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)N1CCC(C)CC1 ZINC000330042383 530624439 /nfs/dbraw/zinc/62/44/39/530624439.db2.gz GRJFQMAZWPGCBG-HNNXBMFYSA-N 0 3 395.591 0.698 20 0 GCADHN CCCCN(C(=O)CN[C@]1(CCOC)CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000577820987 530625083 /nfs/dbraw/zinc/62/50/83/530625083.db2.gz YEDYLPDGGRLSOE-NVXWUHKLSA-N 0 3 376.519 0.587 20 0 GCADHN CN(C(=O)NC[C@H]1CNCCN1C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000577832727 530625306 /nfs/dbraw/zinc/62/53/06/530625306.db2.gz DHPZFIWIMCFIPZ-TZMCWYRMSA-N 0 3 386.905 0.713 20 0 GCADHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330063996 530625580 /nfs/dbraw/zinc/62/55/80/530625580.db2.gz BXJGHAONIAYONT-ZFWWWQNUSA-N 0 3 381.564 0.260 20 0 GCADHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330089318 530626152 /nfs/dbraw/zinc/62/61/52/530626152.db2.gz OMJSVIAEDNXXMD-HZPDHXFCSA-N 0 3 393.575 0.546 20 0 GCADHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330089317 530626196 /nfs/dbraw/zinc/62/61/96/530626196.db2.gz OMJSVIAEDNXXMD-HOTGVXAUSA-N 0 3 393.575 0.546 20 0 GCADHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330089316 530626401 /nfs/dbraw/zinc/62/64/01/530626401.db2.gz OMJSVIAEDNXXMD-CVEARBPZSA-N 0 3 393.575 0.546 20 0 GCADHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330095371 530626408 /nfs/dbraw/zinc/62/64/08/530626408.db2.gz VIXWQEUCSQGDHW-UKRRQHHQSA-N 0 3 379.548 0.156 20 0 GCADHN CCN1CC[C@@H](N(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000330159238 530627549 /nfs/dbraw/zinc/62/75/49/530627549.db2.gz QKECPKGROVLPRW-GDBMZVCRSA-N 0 3 395.591 0.650 20 0 GCADHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000330163769 530628560 /nfs/dbraw/zinc/62/85/60/530628560.db2.gz SSNXZHVUYYLXAL-JKSUJKDBSA-N 0 3 393.575 0.404 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000458212002 530629899 /nfs/dbraw/zinc/62/98/99/530629899.db2.gz BIXWCYUDGMEPKK-UHFFFAOYSA-N 0 3 388.559 0.216 20 0 GCADHN CN(C)C[C@@H]1CCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000331449616 530632004 /nfs/dbraw/zinc/63/20/04/530632004.db2.gz OQAVERXBSRKYLT-AWEZNQCLSA-N 0 3 387.527 0.935 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000458955139 530635081 /nfs/dbraw/zinc/63/50/81/530635081.db2.gz AVFPDKHZHAMMSZ-HNNXBMFYSA-N 0 3 376.523 0.068 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000331698044 530636125 /nfs/dbraw/zinc/63/61/25/530636125.db2.gz VBZNWFWACKMVSL-PWSUYJOCSA-N 0 3 375.365 0.692 20 0 GCADHN CCO[C@@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)[C@H]1SC ZINC000459488197 530636935 /nfs/dbraw/zinc/63/69/35/530636935.db2.gz YZXLFGCSFUCDJP-GMTAPVOTSA-N 0 3 381.545 0.934 20 0 GCADHN CO[C@H]1C[C@@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C12CCC2 ZINC000459752296 530638966 /nfs/dbraw/zinc/63/89/66/530638966.db2.gz ILCVLVLEJCRQCY-CABCVRRESA-N 0 3 375.535 0.710 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1 ZINC000331960733 530639394 /nfs/dbraw/zinc/63/93/94/530639394.db2.gz QOJRUQDXYSDNMT-CYBMUJFWSA-N 0 3 387.527 0.890 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccnc2)C1 ZINC000349464411 530641274 /nfs/dbraw/zinc/64/12/74/530641274.db2.gz NRIIPVPVZOZMDN-AWEZNQCLSA-N 0 3 390.531 0.427 20 0 GCADHN CCCN(CCN(CC)CC)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000461359343 530642247 /nfs/dbraw/zinc/64/22/47/530642247.db2.gz FIILFPUBZNINQV-AWEZNQCLSA-N 0 3 376.523 0.053 20 0 GCADHN O=C(C[NH2+]C[C@H]1CCCO1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000577382479 530619718 /nfs/dbraw/zinc/61/97/18/530619718.db2.gz FJGJDKJIMRNPNI-GFCCVEGCSA-N 0 3 393.868 0.642 20 0 GCADHN O[C@H](CNC[C@H](O)COc1cccc(Br)c1)CN1CCOCC1 ZINC000577492202 530621179 /nfs/dbraw/zinc/62/11/79/530621179.db2.gz DKIUTODMGVMGPI-CABCVRRESA-N 0 3 389.290 0.472 20 0 GCADHN CCOC(=O)C[C@H](C)S(=O)(=O)C(C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000577513024 530621684 /nfs/dbraw/zinc/62/16/84/530621684.db2.gz JUOFSMTYBMTFJC-RWMBFGLXSA-N 0 3 397.515 0.167 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000468429582 530680652 /nfs/dbraw/zinc/68/06/52/530680652.db2.gz QGMCZAUGCSAHML-HUUCEWRRSA-N 0 3 383.580 0.555 20 0 GCADHN CN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@H](CN)C1CC1 ZINC000461898898 530646302 /nfs/dbraw/zinc/64/63/02/530646302.db2.gz IMIVCOBPVDTXQG-GDBMZVCRSA-N 0 3 385.555 0.933 20 0 GCADHN N[C@@H](CC(F)F)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000498196402 530646648 /nfs/dbraw/zinc/64/66/48/530646648.db2.gz QMIQKLFGPFQXCD-NSHDSACASA-N 0 3 381.376 0.768 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cs1 ZINC000462159514 530648774 /nfs/dbraw/zinc/64/87/74/530648774.db2.gz QLHVLSLKGHZFRH-LLVKDONJSA-N 0 3 389.499 0.400 20 0 GCADHN C[C@H]1CCCCN1CCCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000332637332 530650624 /nfs/dbraw/zinc/65/06/24/530650624.db2.gz YMEPDBYPSHMABO-HNNXBMFYSA-N 0 3 395.591 0.842 20 0 GCADHN NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(CC3CCCC3)C2)c1 ZINC000462571670 530651731 /nfs/dbraw/zinc/65/17/31/530651731.db2.gz LVHKYTKLLYWFIZ-AWEZNQCLSA-N 0 3 387.527 0.877 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000332683784 530651801 /nfs/dbraw/zinc/65/18/01/530651801.db2.gz NOJXWQALJARLAU-IJLUTSLNSA-N 0 3 388.408 0.605 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000332683785 530652040 /nfs/dbraw/zinc/65/20/40/530652040.db2.gz NOJXWQALJARLAU-QJPTWQEYSA-N 0 3 388.408 0.605 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000332683786 530652158 /nfs/dbraw/zinc/65/21/58/530652158.db2.gz NOJXWQALJARLAU-SDDRHHMPSA-N 0 3 388.408 0.605 20 0 GCADHN CC(C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(F)(F)F ZINC000463104364 530655477 /nfs/dbraw/zinc/65/54/77/530655477.db2.gz CODRDXMFTXDIMJ-VIFPVBQESA-N 0 3 379.360 0.944 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000333270429 530657380 /nfs/dbraw/zinc/65/73/80/530657380.db2.gz CJDQMUUJWFYRLF-UONOGXRCSA-N 0 3 379.473 0.990 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)Nc3cc(Br)cn(C)c3=O)C[C@H]2N)cn1 ZINC000333368745 530658411 /nfs/dbraw/zinc/65/84/11/530658411.db2.gz FEKTWWDUCZFXQT-NWDGAFQWSA-N 0 3 395.261 0.840 20 0 GCADHN CC(C)S(=O)(=O)N1CCC(NC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000333381917 530658611 /nfs/dbraw/zinc/65/86/11/530658611.db2.gz XQQLXMIULPXRGX-INIZCTEOSA-N 0 3 392.591 0.926 20 0 GCADHN O=S(=O)(NCc1cn(Cc2c(F)cccc2Cl)nn1)N1CCNCC1 ZINC000640754086 530659308 /nfs/dbraw/zinc/65/93/08/530659308.db2.gz STKVUEQJORDFOL-UHFFFAOYSA-N 0 3 388.856 0.359 20 0 GCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000333503927 530660008 /nfs/dbraw/zinc/66/00/08/530660008.db2.gz OHFFDEFWACBHOD-UONOGXRCSA-N 0 3 378.564 0.347 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC[C@H](C)[NH+](C)C)s1 ZINC000617753880 530663062 /nfs/dbraw/zinc/66/30/62/530663062.db2.gz LKVPCZDARLWAPJ-NSHDSACASA-N 0 3 390.531 0.119 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)NCCN(C)CCCOC)CC1 ZINC000465575443 530667147 /nfs/dbraw/zinc/66/71/47/530667147.db2.gz RXSKQWBVUUEKKZ-UHFFFAOYSA-N 0 3 378.539 0.458 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000465892974 530667374 /nfs/dbraw/zinc/66/73/74/530667374.db2.gz SAYNKOKGFGLDAL-CABCVRRESA-N 0 3 376.523 0.258 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000465892975 530667873 /nfs/dbraw/zinc/66/78/73/530667873.db2.gz SAYNKOKGFGLDAL-GJZGRUSLSA-N 0 3 376.523 0.258 20 0 GCADHN CC(C)N(CCCNC(=O)CN(C)CCC1CCOCC1)S(C)(=O)=O ZINC000466479599 530669130 /nfs/dbraw/zinc/66/91/30/530669130.db2.gz YQIQTGFPHFEHPS-UHFFFAOYSA-N 0 3 377.551 0.911 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NC[C@@H]1CCCC[NH2+]1 ZINC000669579976 530674718 /nfs/dbraw/zinc/67/47/18/530674718.db2.gz XCWGGZSDDMHVRE-LBPRGKRZSA-N 0 3 376.429 0.684 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCCCN1CCN(CC)CC1 ZINC000467551958 530675363 /nfs/dbraw/zinc/67/53/63/530675363.db2.gz COLOVYHRRWGMKC-HOTGVXAUSA-N 0 3 376.567 0.484 20 0 GCADHN CCC1(CC)[C@@H](NCC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1OC ZINC000639613034 530679178 /nfs/dbraw/zinc/67/91/78/530679178.db2.gz PMKKWWOPRFTQIU-GJZGRUSLSA-N 0 3 375.535 0.710 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2csnc2C(=O)OC)CC1 ZINC000469254081 530687760 /nfs/dbraw/zinc/68/77/60/530687760.db2.gz JBIWBNAVXAXGIE-NSHDSACASA-N 0 3 376.504 0.234 20 0 GCADHN O=S(=O)(NCc1cn(Cc2ccc(Cl)c(F)c2)nn1)N1CCNCC1 ZINC000640953638 530689067 /nfs/dbraw/zinc/68/90/67/530689067.db2.gz PNGDFTNJUXHKPK-UHFFFAOYSA-N 0 3 388.856 0.359 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000470088697 530692748 /nfs/dbraw/zinc/69/27/48/530692748.db2.gz UBLCBONRKRDPDE-HOTGVXAUSA-N 0 3 375.535 0.496 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000470088699 530692820 /nfs/dbraw/zinc/69/28/20/530692820.db2.gz UBLCBONRKRDPDE-JKSUJKDBSA-N 0 3 375.535 0.496 20 0 GCADHN O=S1(=O)CCC(O)(CN(CCN2CCOCC2)[C@@H]2CCSC2)CC1 ZINC000639776215 530693473 /nfs/dbraw/zinc/69/34/73/530693473.db2.gz PEGASMPPVDJDJB-OAHLLOKOSA-N 0 3 378.560 0.066 20 0 GCADHN C[C@H](C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000648110549 530694610 /nfs/dbraw/zinc/69/46/10/530694610.db2.gz CXBVVTFJSGSQJM-SSDOTTSWSA-N 0 3 384.683 0.844 20 0 GCADHN NC[C@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000648110623 530694916 /nfs/dbraw/zinc/69/49/16/530694916.db2.gz XDESLSAGFFIKOU-NSHDSACASA-N 0 3 377.260 0.409 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)CCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000367242302 530695929 /nfs/dbraw/zinc/69/59/29/530695929.db2.gz YSBGYIWNRDZBFU-GASCZTMLSA-N 0 3 375.535 0.616 20 0 GCADHN COCCCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1CCN(C)CC1 ZINC000641068044 530700672 /nfs/dbraw/zinc/70/06/72/530700672.db2.gz YWVJTAGGNZKWAP-UHFFFAOYSA-N 0 3 375.535 0.617 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000472296486 530704471 /nfs/dbraw/zinc/70/44/71/530704471.db2.gz JYGAWBUHUNDNDM-LBPRGKRZSA-N 0 3 396.506 0.864 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000472937202 530709384 /nfs/dbraw/zinc/70/93/84/530709384.db2.gz GQDJYWBSLNFRGF-UHFFFAOYSA-N 0 3 390.531 0.624 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCN([C@H]3CCCN(C)C3)CC2)s1 ZINC000363066557 530709551 /nfs/dbraw/zinc/70/95/51/530709551.db2.gz QRDAYLJWJIJGIX-ZDUSSCGKSA-N 0 3 387.527 0.935 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349593356 530710106 /nfs/dbraw/zinc/71/01/06/530710106.db2.gz PNRLAFAEQDHKIN-OCCSQVGLSA-N 0 3 393.535 0.334 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1nc2ncc(Br)cn2n1 ZINC000363105237 530710392 /nfs/dbraw/zinc/71/03/92/530710392.db2.gz UQEMKRVXPXJRHB-WDEREUQCSA-N 0 3 381.234 0.480 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000473259323 530711192 /nfs/dbraw/zinc/71/11/92/530711192.db2.gz DAXWHDCLKYVFKF-BBRMVZONSA-N 0 3 389.543 0.720 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000367780477 530715855 /nfs/dbraw/zinc/71/58/55/530715855.db2.gz MZKSYPGNTAIJPM-ZDUSSCGKSA-N 0 3 390.868 0.801 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)N1CCc2sccc2C1 ZINC000367757114 530715912 /nfs/dbraw/zinc/71/59/12/530715912.db2.gz KSHZOWSWMRNLKA-NSHDSACASA-N 0 3 379.525 0.871 20 0 GCADHN C[C@@H](NC(=O)c1cc(Br)cnc1N(C)C)C(=O)NCCN(C)C ZINC000578802271 530735750 /nfs/dbraw/zinc/73/57/50/530735750.db2.gz VIHMQOQDRAKYMY-SNVBAGLBSA-N 0 3 386.294 0.706 20 0 GCADHN CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)C[C@H]1CSCCN1)C2 ZINC000579110383 530738461 /nfs/dbraw/zinc/73/84/61/530738461.db2.gz JACHDVGSXJAXPF-AWEZNQCLSA-N 0 3 383.539 0.917 20 0 GCADHN Cn1ncc(I)c1C(=O)NCC1CCN(CCO)CC1 ZINC000477009912 530738477 /nfs/dbraw/zinc/73/84/77/530738477.db2.gz ULCRPJIJLTYHKT-UHFFFAOYSA-N 0 3 392.241 0.459 20 0 GCADHN COC[C@@H](CS(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1)OC ZINC000641399378 530739227 /nfs/dbraw/zinc/73/92/27/530739227.db2.gz CUBMNNNWQXNXKR-KRWDZBQOSA-N 0 3 377.551 0.468 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000477375563 530742348 /nfs/dbraw/zinc/74/23/48/530742348.db2.gz PDZJZVBPBRNKQC-OAGGEKHMSA-N 0 3 375.535 0.111 20 0 GCADHN CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000370427649 530742735 /nfs/dbraw/zinc/74/27/35/530742735.db2.gz HOHCQJNXFDNYOI-AWEZNQCLSA-N 0 3 391.515 0.577 20 0 GCADHN CC(C)NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000477466072 530743416 /nfs/dbraw/zinc/74/34/16/530743416.db2.gz KTGLYJJKAIMPLT-MRXNPFEDSA-N 0 3 389.543 0.839 20 0 GCADHN CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000477469626 530743533 /nfs/dbraw/zinc/74/35/33/530743533.db2.gz IMLCCUVCWPRSAQ-HNNXBMFYSA-N 0 3 375.516 0.451 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000368307614 530722243 /nfs/dbraw/zinc/72/22/43/530722243.db2.gz LPZXGHSXPALFDW-OAHLLOKOSA-N 0 3 375.535 0.952 20 0 GCADHN Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000475396148 530724304 /nfs/dbraw/zinc/72/43/04/530724304.db2.gz VCNHTUYWFIELRU-SECBINFHSA-N 0 3 376.226 0.874 20 0 GCADHN CN(C)C[C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000578136956 530727069 /nfs/dbraw/zinc/72/70/69/530727069.db2.gz LQXXTCODXVAWTE-AWEZNQCLSA-N 0 3 390.937 0.840 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000368976725 530728026 /nfs/dbraw/zinc/72/80/26/530728026.db2.gz YKRPYJCKDDHXDU-QWHCGFSZSA-N 0 3 375.516 0.330 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)CC(C)(C)C(=O)OC ZINC000578168365 530728190 /nfs/dbraw/zinc/72/81/90/530728190.db2.gz RDBBZTCFVVTSJE-OAHLLOKOSA-N 0 3 377.551 0.863 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NCCS(=O)(=O)NC2CC2)CC1 ZINC000476058618 530729421 /nfs/dbraw/zinc/72/94/21/530729421.db2.gz FZGKITSMBYQWBM-UHFFFAOYSA-N 0 3 376.523 0.257 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000578284688 530729481 /nfs/dbraw/zinc/72/94/81/530729481.db2.gz IBDYXPDPMOZQMY-TXEJJXNPSA-N 0 3 392.547 0.258 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](CNC[C@@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000578316329 530729549 /nfs/dbraw/zinc/72/95/49/530729549.db2.gz WVKWSBZWPDPZDO-BZPMIXESSA-N 0 3 391.237 0.950 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000476444040 530733205 /nfs/dbraw/zinc/73/32/05/530733205.db2.gz SFELSARLXYXSGC-CQSZACIVSA-N 0 3 387.527 0.740 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000476453821 530733314 /nfs/dbraw/zinc/73/33/14/530733314.db2.gz AAJDUDFFRZZYHG-UONOGXRCSA-N 0 3 389.543 0.624 20 0 GCADHN CCS(=O)(=O)NCCCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000476440252 530733392 /nfs/dbraw/zinc/73/33/92/530733392.db2.gz VFXNFVWOGUWIPI-UHFFFAOYSA-N 0 3 378.539 0.504 20 0 GCADHN O=C1NC(=O)[C@@H]2CN(C[C@H](O)COc3cc(F)cc(Br)c3)C[C@H]12 ZINC000578605273 530733683 /nfs/dbraw/zinc/73/36/83/530733683.db2.gz ACGQSWYQFGNPEY-WCFLWFBJSA-N 0 3 387.205 0.532 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418149076 530750225 /nfs/dbraw/zinc/75/02/25/530750225.db2.gz APYDJYZEOGHICM-IWIIMEHWSA-N 0 3 376.841 0.274 20 0 GCADHN C[NH2+][C@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418163602 530750238 /nfs/dbraw/zinc/75/02/38/530750238.db2.gz GLCXBKLFOSLLDF-LBPRGKRZSA-N 0 3 376.429 0.637 20 0 GCADHN [NH3+]C1CCC(NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000418169182 530750932 /nfs/dbraw/zinc/75/09/32/530750932.db2.gz MNLLATWUUQYKPY-UHFFFAOYSA-N 0 3 376.429 0.812 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)NC[C@H]1C[NH2+]CCO1 ZINC000418173133 530751273 /nfs/dbraw/zinc/75/12/73/530751273.db2.gz QBGQJFPYYMUSGP-LLVKDONJSA-N 0 3 394.856 0.045 20 0 GCADHN C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418172667 530751518 /nfs/dbraw/zinc/75/15/18/530751518.db2.gz PLRKMKYSACMDLL-GHMZBOCLSA-N 0 3 376.429 0.622 20 0 GCADHN CNS(=O)(=O)CCNCCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000580888636 530751961 /nfs/dbraw/zinc/75/19/61/530751961.db2.gz OHDNGEUOTLRZGJ-UHFFFAOYSA-N 0 3 379.866 0.825 20 0 GCADHN O=C(NCCC[NH2+]C1CC1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418179817 530752312 /nfs/dbraw/zinc/75/23/12/530752312.db2.gz XSHNXVMJQGXVOC-UHFFFAOYSA-N 0 3 376.429 0.684 20 0 GCADHN CCS(=O)(=O)N1CCC(NC(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000580925665 530752409 /nfs/dbraw/zinc/75/24/09/530752409.db2.gz SUVHFHBDKFRGPP-UHFFFAOYSA-N 0 3 392.591 0.927 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000580904067 530752536 /nfs/dbraw/zinc/75/25/36/530752536.db2.gz ZVCNGLZTPMEAEQ-KWQFWETISA-N 0 3 379.360 0.360 20 0 GCADHN NC(=O)[C@H](c1ccc(Br)cc1F)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581142598 530754609 /nfs/dbraw/zinc/75/46/09/530754609.db2.gz PLQPECUWPLNKBT-BIMULSAOSA-N 0 3 385.237 0.358 20 0 GCADHN C[C@@H]1NCCN(C(=O)NCc2nn(C)cc2I)[C@H]1C ZINC000418254924 530755516 /nfs/dbraw/zinc/75/55/16/530755516.db2.gz LFJKJVUCKFQYPQ-IUCAKERBSA-N 0 3 377.230 0.917 20 0 GCADHN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581321784 530757567 /nfs/dbraw/zinc/75/75/67/530757567.db2.gz YNVPNVPGHOAKSG-SUHUHFCYSA-N 0 3 382.258 0.987 20 0 GCADHN O=C(C[C@@H]1C[NH2+]CCO1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000581547098 530759699 /nfs/dbraw/zinc/75/96/99/530759699.db2.gz YAYPQVHZFZSKIV-LLVKDONJSA-N 0 3 379.841 0.252 20 0 GCADHN COCC1(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000641599473 530760549 /nfs/dbraw/zinc/76/05/49/530760549.db2.gz BEFIJZOCKUCKKJ-GJZGRUSLSA-N 0 3 375.535 0.662 20 0 GCADHN O=S(=O)(CCCN1CCCC1)N(CCN1CCOCC1)[C@H]1CCSC1 ZINC000641600954 530760784 /nfs/dbraw/zinc/76/07/84/530760784.db2.gz YOKZRILWZYRJCL-KRWDZBQOSA-N 0 3 391.603 0.942 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000372069676 530761798 /nfs/dbraw/zinc/76/17/98/530761798.db2.gz DSADDENIYGMQAS-LSDHHAIUSA-N 0 3 376.523 0.209 20 0 GCADHN COCCN(CCOC)S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000372075790 530761999 /nfs/dbraw/zinc/76/19/99/530761999.db2.gz RSMNWWVVBLWCPJ-RDJZCZTQSA-N 0 3 375.535 0.775 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000372069675 530762110 /nfs/dbraw/zinc/76/21/10/530762110.db2.gz DSADDENIYGMQAS-HUUCEWRRSA-N 0 3 376.523 0.209 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000372076386 530762165 /nfs/dbraw/zinc/76/21/65/530762165.db2.gz HBRYYFGBJHMQRG-ZFWWWQNUSA-N 0 3 379.548 0.204 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000581873211 530763534 /nfs/dbraw/zinc/76/35/34/530763534.db2.gz XNLZKPSDNVECRV-SNVBAGLBSA-N 0 3 385.262 0.699 20 0 GCADHN C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000581860256 530763555 /nfs/dbraw/zinc/76/35/55/530763555.db2.gz OFGRKECBWZSXHE-CQSZACIVSA-N 0 3 381.564 0.404 20 0 GCADHN CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000477585291 530745265 /nfs/dbraw/zinc/74/52/65/530745265.db2.gz DGPJQUVNTUBUKR-LBPRGKRZSA-N 0 3 394.563 0.505 20 0 GCADHN [NH3+]CCCOC1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000579713014 530746203 /nfs/dbraw/zinc/74/62/03/530746203.db2.gz VGEAAUQBLHTGCI-UHFFFAOYSA-N 0 3 375.516 0.773 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000370728816 530746316 /nfs/dbraw/zinc/74/63/16/530746316.db2.gz DMSQLONFZQVYBK-STQMWFEESA-N 0 3 393.506 0.695 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)NC[C@@H]1CCC[NH2+]1 ZINC000418157533 530749283 /nfs/dbraw/zinc/74/92/83/530749283.db2.gz OMNOXAIMUCHPTR-NSHDSACASA-N 0 3 378.857 0.809 20 0 GCADHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000480677826 530769388 /nfs/dbraw/zinc/76/93/88/530769388.db2.gz FTOADHSBADPQBF-CYBMUJFWSA-N 0 3 377.532 0.912 20 0 GCADHN C[C@@H](NC(=O)c1cc(S(C)(=O)=O)cs1)C(=O)NCCN1CCCCC1 ZINC000581970860 530769919 /nfs/dbraw/zinc/76/99/19/530769919.db2.gz VZYGFLXBIVLYSG-GFCCVEGCSA-N 0 3 387.527 0.872 20 0 GCADHN COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480882523 530771994 /nfs/dbraw/zinc/77/19/94/530771994.db2.gz PISNOLWQWZIADQ-LLVKDONJSA-N 0 3 382.433 0.537 20 0 GCADHN COc1ccccc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000642532816 530772281 /nfs/dbraw/zinc/77/22/81/530772281.db2.gz GHNDQRQDQMEVRZ-WCQYABFASA-N 0 3 375.468 0.302 20 0 GCADHN CCS(=O)(=O)NCCNC[C@H](O)COc1ccc(Br)cc1 ZINC000390403065 530772920 /nfs/dbraw/zinc/77/29/20/530772920.db2.gz UHWGLMJQKNDYLI-LBPRGKRZSA-N 0 3 381.292 0.718 20 0 GCADHN C[NH+](C)Cc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000029952478 530774769 /nfs/dbraw/zinc/77/47/69/530774769.db2.gz SDMLGUDOOUVIGO-UHFFFAOYSA-N 0 3 381.230 0.999 20 0 GCADHN CCCc1nc(CS(=O)(=O)C(C)C(=O)N[C@H]2CCS(=O)(=O)C2)cs1 ZINC000642541148 530776416 /nfs/dbraw/zinc/77/64/16/530776416.db2.gz LMRCNBNQTXDVRS-MNOVXSKESA-N 0 3 394.540 0.702 20 0 GCADHN CN1CCN(CCCCNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000041348577 530777211 /nfs/dbraw/zinc/77/72/11/530777211.db2.gz FIQNVTVJVSKLCH-UHFFFAOYSA-N 0 3 385.306 0.755 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000582377571 530777849 /nfs/dbraw/zinc/77/78/49/530777849.db2.gz NSHYKOPJSXLECV-DOTOQJQBSA-N 0 3 375.535 0.952 20 0 GCADHN NS(=O)(=O)c1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)ccc1Cl ZINC000373944901 530787650 /nfs/dbraw/zinc/78/76/50/530787650.db2.gz FPRGXSMHQQMPOI-CYBMUJFWSA-N 0 3 387.889 0.971 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000045282816 530779429 /nfs/dbraw/zinc/77/94/29/530779429.db2.gz JRLZBHIDXNDHMR-ZWNOBZJWSA-N 0 3 379.887 0.947 20 0 GCADHN COc1cccc(CS(=O)(=O)C(C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000046140137 530780659 /nfs/dbraw/zinc/78/06/59/530780659.db2.gz QURGVIPXKUZBIT-YPMHNXCESA-N 0 3 375.468 0.302 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1 ZINC000046761757 530781731 /nfs/dbraw/zinc/78/17/31/530781731.db2.gz VSIZOXBLNSGREX-GFCCVEGCSA-N 0 3 376.500 0.766 20 0 GCADHN CCN1CCN(CCC(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000481974200 530782232 /nfs/dbraw/zinc/78/22/32/530782232.db2.gz NIJWYAZXJIMSAU-INIZCTEOSA-N 0 3 375.535 0.066 20 0 GCADHN CC(C)OCCN1CCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CC1 ZINC000482503794 530785069 /nfs/dbraw/zinc/78/50/69/530785069.db2.gz HNAUPSMDIJMCLN-OAHLLOKOSA-N 0 3 376.519 0.538 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000482516009 530785551 /nfs/dbraw/zinc/78/55/51/530785551.db2.gz VMWWEKSNANPHIA-LBPRGKRZSA-N 0 3 375.516 0.839 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000646208884 530785797 /nfs/dbraw/zinc/78/57/97/530785797.db2.gz NDEASCFLDJMKFN-JSGCOSHPSA-N 0 3 384.274 0.841 20 0 GCADHN CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC)CCC[NH+](C)C ZINC000480373609 530764394 /nfs/dbraw/zinc/76/43/94/530764394.db2.gz XPRBDJFCNPXRMS-UHFFFAOYSA-N 0 3 377.532 0.947 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@H](CO)COC(C)C ZINC000480366422 530764472 /nfs/dbraw/zinc/76/44/72/530764472.db2.gz UAKAJVACUMZPIJ-OAHLLOKOSA-N 0 3 376.523 0.468 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@@H](CO)COC(C)C ZINC000480366416 530764753 /nfs/dbraw/zinc/76/47/53/530764753.db2.gz UAKAJVACUMZPIJ-HNNXBMFYSA-N 0 3 376.523 0.468 20 0 GCADHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)C1 ZINC000480534861 530767021 /nfs/dbraw/zinc/76/70/21/530767021.db2.gz HDVJEBVVORJOGT-CQSZACIVSA-N 0 3 389.543 0.913 20 0 GCADHN CN1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)[C@H](CN)C1 ZINC000581946697 530767260 /nfs/dbraw/zinc/76/72/60/530767260.db2.gz ZLYOSFMBWCZZQG-GFCCVEGCSA-N 0 3 390.303 0.647 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000480633816 530767503 /nfs/dbraw/zinc/76/75/03/530767503.db2.gz GXUZSMWHXKTCGC-ZSDPLGQISA-N 0 3 376.548 0.592 20 0 GCADHN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1 ZINC000480633391 530767661 /nfs/dbraw/zinc/76/76/61/530767661.db2.gz FFICSSWQMUXALM-FVQBIDKESA-N 0 3 376.519 0.683 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000480664854 530768619 /nfs/dbraw/zinc/76/86/19/530768619.db2.gz XHDZUCJBOXNVGK-BZUAXINKSA-N 0 3 375.535 0.521 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCC2(C1)CCOCC2)S(C)(=O)=O ZINC000374104967 530789431 /nfs/dbraw/zinc/78/94/31/530789431.db2.gz HAOYRNOXLOOQHD-UHFFFAOYSA-N 0 3 375.535 0.665 20 0 GCADHN Cc1ccc(F)c(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1Br ZINC000483580885 530790246 /nfs/dbraw/zinc/79/02/46/530790246.db2.gz IECJMPMILYERLP-SECBINFHSA-N 0 3 376.226 0.874 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000374398710 530791467 /nfs/dbraw/zinc/79/14/67/530791467.db2.gz KZDFNRVOVINYQX-MCIONIFRSA-N 0 3 387.527 0.737 20 0 GCADHN CC(C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)S(C)(=O)=O ZINC000068432799 530793840 /nfs/dbraw/zinc/79/38/40/530793840.db2.gz CZSJXRSTIWLQCD-NSHDSACASA-N 0 3 376.500 0.813 20 0 GCADHN CCCN(C(=O)[C@H](C)N[C@@H]1CCOC[C@@H]1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000484614431 530794640 /nfs/dbraw/zinc/79/46/40/530794640.db2.gz CKKPHNLFHSXVTB-JJXSEGSLSA-N 0 3 376.519 0.584 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H](C)c1ccc(F)cc1 ZINC000068887498 530795123 /nfs/dbraw/zinc/79/51/23/530795123.db2.gz WBYSBHUXFJFIJA-JTNHKYCSSA-N 0 3 377.459 0.993 20 0 GCADHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000658412153 530795256 /nfs/dbraw/zinc/79/52/56/530795256.db2.gz UHKFTQNDSQIIMK-MRVPVSSYSA-N 0 3 385.305 0.739 20 0 GCADHN C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CCCC1 ZINC000069127998 530795618 /nfs/dbraw/zinc/79/56/18/530795618.db2.gz SGYKVZGNWLSJEI-CYBMUJFWSA-N 0 3 386.543 0.966 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000485116037 530796851 /nfs/dbraw/zinc/79/68/51/530796851.db2.gz DNBPITDCNDFBAE-OAHLLOKOSA-N 0 3 395.591 0.617 20 0 GCADHN COCCOCCOCCS(=O)(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490439828 530828217 /nfs/dbraw/zinc/82/82/17/530828217.db2.gz MXZRXZCFEXFGDK-INIZCTEOSA-N 0 3 378.535 0.802 20 0 GCADHN CC(C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCN1 ZINC000621152339 530832651 /nfs/dbraw/zinc/83/26/51/530832651.db2.gz VESRGZHBVOOTBN-OAHLLOKOSA-N 0 3 386.543 0.822 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000491500763 530832686 /nfs/dbraw/zinc/83/26/86/530832686.db2.gz PTJUASCDUYLIOE-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN Cc1ccccc1CCNC(=O)C(C)S(=O)(=O)CCCS(C)(=O)=O ZINC000492125763 530835937 /nfs/dbraw/zinc/83/59/37/530835937.db2.gz GBTPTYGLCOYZLG-CQSZACIVSA-N 0 3 375.512 0.892 20 0 GCADHN CCN1CCN(CCNC(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC000498515551 530814283 /nfs/dbraw/zinc/81/42/83/530814283.db2.gz UOHVBWIQHWZCKB-UHFFFAOYSA-N 0 3 381.428 0.081 20 0 GCADHN CC(C(=O)NC[C@@H](O)CN1CCC(C)CC1)S(=O)(=O)C1CCOCC1 ZINC000487758289 530814335 /nfs/dbraw/zinc/81/43/35/530814335.db2.gz CINWXKOJJGKHAI-LSDHHAIUSA-N 0 3 376.519 0.178 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000488683695 530818212 /nfs/dbraw/zinc/81/82/12/530818212.db2.gz GCPCWPNZCFESIJ-UHFFFAOYSA-N 0 3 384.487 0.369 20 0 GCADHN CN(C)S(=O)(=O)CCNC[C@@H](O)COc1cccc(Br)c1 ZINC000405403048 530819448 /nfs/dbraw/zinc/81/94/48/530819448.db2.gz XWGFLMSQMWDXEX-GFCCVEGCSA-N 0 3 381.292 0.670 20 0 GCADHN CNS(=O)(=O)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000377015013 530820863 /nfs/dbraw/zinc/82/08/63/530820863.db2.gz PQNYOXVNGLIHOO-UHFFFAOYSA-N 0 3 378.564 0.587 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)C(F)(F)F ZINC000377349929 530825481 /nfs/dbraw/zinc/82/54/81/530825481.db2.gz ZYTHNWKIIVLTDV-NEPJUHHUSA-N 0 3 386.440 0.688 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@H](CO)C1CC1 ZINC000582666714 530846894 /nfs/dbraw/zinc/84/68/94/530846894.db2.gz YVXDYMSBBMSJNI-CQSZACIVSA-N 0 3 390.527 0.319 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000582715738 530847460 /nfs/dbraw/zinc/84/74/60/530847460.db2.gz XOOBQMPFYWHCCU-CYBMUJFWSA-N 0 3 381.274 0.940 20 0 GCADHN CC(C)C[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000496415564 530849355 /nfs/dbraw/zinc/84/93/55/530849355.db2.gz ZLSLCDIAEBZPDZ-ZDUSSCGKSA-N 0 3 375.516 0.759 20 0 GCADHN C[C@@H](CO)CCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000582780743 530850631 /nfs/dbraw/zinc/85/06/31/530850631.db2.gz DZJCWFSAPFAVFZ-CQSZACIVSA-N 0 3 392.543 0.709 20 0 GCADHN O=C(N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@]1(F)CCNC1 ZINC000178334489 530851359 /nfs/dbraw/zinc/85/13/59/530851359.db2.gz QJBVTIJVOVPNHD-ZDUSSCGKSA-N 0 3 381.882 0.936 20 0 GCADHN COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NCCN(C)C ZINC000498809100 530851945 /nfs/dbraw/zinc/85/19/45/530851945.db2.gz XSUYQOIVCXGSTD-UHFFFAOYSA-N 0 3 390.209 0.991 20 0 GCADHN O=c1ccc(Br)cn1CCNC[C@H](O)COC1CCOCC1 ZINC000516563543 530852236 /nfs/dbraw/zinc/85/22/36/530852236.db2.gz KLQZLRWJRQNHFI-ZDUSSCGKSA-N 0 3 375.263 0.757 20 0 GCADHN CO[C@@H](CS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000656894986 530857550 /nfs/dbraw/zinc/85/75/50/530857550.db2.gz YODXNQYVPYDRMB-HOTGVXAUSA-N 0 3 375.535 0.698 20 0 GCADHN CC(C)(C)N1C[C@@H](C(=O)N2CCN(S(N)(=O)=O)CC2)[C@H](C(F)(F)F)C1 ZINC000583097307 530859362 /nfs/dbraw/zinc/85/93/62/530859362.db2.gz AOVVGDLDCGNZRP-GHMZBOCLSA-N 0 3 386.440 0.243 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000530426644 530866463 /nfs/dbraw/zinc/86/64/63/530866463.db2.gz OREADSHTUPQPEQ-LBPRGKRZSA-N 0 3 392.547 0.117 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCN(C)C[C@H]1CN ZINC000583252241 530867271 /nfs/dbraw/zinc/86/72/71/530867271.db2.gz FVQWCWASTOSXMS-CYBMUJFWSA-N 0 3 398.305 0.980 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NCCN(C)C)c(Br)cc1F ZINC000610377617 530869383 /nfs/dbraw/zinc/86/93/83/530869383.db2.gz JQADZMSAFBMAJX-UHFFFAOYSA-N 0 3 390.209 0.991 20 0 GCADHN CN1CCC(O)(CNC(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000610414200 530870988 /nfs/dbraw/zinc/87/09/88/530870988.db2.gz LAQYQGOZJQJKFF-UHFFFAOYSA-N 0 3 382.511 0.562 20 0 GCADHN Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)C2CCCS2(=O)=O)s1 ZINC000582555006 530845329 /nfs/dbraw/zinc/84/53/29/530845329.db2.gz FZUNGCUUJDKGDT-NXEZZACHSA-N 0 3 375.497 0.869 20 0 GCADHN CCN(CCN)C(=O)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000627353688 530909858 /nfs/dbraw/zinc/90/98/58/530909858.db2.gz IRQCOFWKJIVHDF-UHFFFAOYSA-N 0 3 399.289 0.492 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(F)cccc1F ZINC000502872861 530877934 /nfs/dbraw/zinc/87/79/34/530877934.db2.gz RMLDSARYYABQNI-NXEZZACHSA-N 0 3 381.422 0.571 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000503024858 530878297 /nfs/dbraw/zinc/87/82/97/530878297.db2.gz YGVJNNFLOKGVSF-GJZGRUSLSA-N 0 3 394.607 0.190 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC(OCCN(C)C)CC1)N1CCCS1(=O)=O ZINC000503686005 530883332 /nfs/dbraw/zinc/88/33/32/530883332.db2.gz XCDAGMVFTXFNMY-MRXNPFEDSA-N 0 3 375.535 0.616 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621918461 530884496 /nfs/dbraw/zinc/88/44/96/530884496.db2.gz FEFLAMUWKYBJKJ-CYBMUJFWSA-N 0 3 397.273 0.928 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000622013369 530888724 /nfs/dbraw/zinc/88/87/24/530888724.db2.gz OKRBESJYWFNJFS-QMTHXVAHSA-N 0 3 377.463 0.699 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000510795179 530930112 /nfs/dbraw/zinc/93/01/12/530930112.db2.gz ITVRSRHOJHEZBF-JKSUJKDBSA-N 0 3 390.527 0.919 20 0 GCADHN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510792259 530930346 /nfs/dbraw/zinc/93/03/46/530930346.db2.gz RBAAAYPPQMTZIB-MJBXVCDLSA-N 0 3 377.507 0.140 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000510795167 530930527 /nfs/dbraw/zinc/93/05/27/530930527.db2.gz ITVRSRHOJHEZBF-CVEARBPZSA-N 0 3 390.527 0.919 20 0 GCADHN CC[C@H](C)[C@H](NC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)OC ZINC000510743706 530930548 /nfs/dbraw/zinc/93/05/48/530930548.db2.gz BIUUPBBVPIUSJG-ABHRYQDASA-N 0 3 377.507 0.140 20 0 GCADHN COCCNCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000418515366 530930714 /nfs/dbraw/zinc/93/07/14/530930714.db2.gz YEDCOJBHWUWPIK-CQSZACIVSA-N 0 3 399.289 0.868 20 0 GCADHN CN1CCN(S(=O)(=O)c2ccc(I)cc2)[C@@H](CN)C1 ZINC000226617670 530932368 /nfs/dbraw/zinc/93/23/68/530932368.db2.gz ZAOHMLQKWFJYPZ-NSHDSACASA-N 0 3 395.266 0.555 20 0 GCADHN COCCNCCNS(=O)(=O)c1ccc(I)cc1 ZINC000216304409 530932955 /nfs/dbraw/zinc/93/29/55/530932955.db2.gz SFJMAUJESZNBCY-UHFFFAOYSA-N 0 3 384.239 0.806 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cncc(I)c1 ZINC000584485720 530915992 /nfs/dbraw/zinc/91/59/92/530915992.db2.gz XWDZOETXIZBTNS-CQSZACIVSA-N 0 3 387.221 0.873 20 0 GCADHN CCN(CCO)CCNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000584564113 530919073 /nfs/dbraw/zinc/91/90/73/530919073.db2.gz FQKZMXDPGGFWKX-UHFFFAOYSA-N 0 3 377.894 0.439 20 0 GCADHN COCCCN1CCC(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000509808429 530921951 /nfs/dbraw/zinc/92/19/51/530921951.db2.gz TUHSDFUPOARIBQ-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000509789443 530922014 /nfs/dbraw/zinc/92/20/14/530922014.db2.gz HFOVCPCNNNGGGL-VIFPVBQESA-N 0 3 376.866 0.716 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC2([NH3+])CCC2)s1 ZINC000584720122 530922298 /nfs/dbraw/zinc/92/22/98/530922298.db2.gz TVYBCJGPBJMNJC-UHFFFAOYSA-N 0 3 381.545 0.390 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCCN(C)S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000584716969 530922644 /nfs/dbraw/zinc/92/26/44/530922644.db2.gz PZDZTORAPVGBRL-QLFBSQMISA-N 0 3 391.559 0.428 20 0 GCADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCOCC[NH+](C)C)c1OC ZINC000509962323 530922917 /nfs/dbraw/zinc/92/29/17/530922917.db2.gz XBKYNJZSQQSYLE-UHFFFAOYSA-N 0 3 393.893 0.565 20 0 GCADHN COC(=O)[C@@H](O)CNC[C@H](O)COc1ccc(Cl)cc1Br ZINC000584780945 530923546 /nfs/dbraw/zinc/92/35/46/530923546.db2.gz ATFHYAODCZDHKJ-ONGXEEELSA-N 0 3 382.638 0.966 20 0 GCADHN CCCCN(C(=O)CN[C@H](CO)C1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000584801048 530924345 /nfs/dbraw/zinc/92/43/45/530924345.db2.gz KLDQEWUWOCZPOZ-JKSUJKDBSA-N 0 3 376.519 0.179 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000610925036 530927982 /nfs/dbraw/zinc/92/79/82/530927982.db2.gz IKOLKBJZGYCXSV-CABCVRRESA-N 0 3 393.575 0.417 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000610925047 530928222 /nfs/dbraw/zinc/92/82/22/530928222.db2.gz IKOLKBJZGYCXSV-LSDHHAIUSA-N 0 3 393.575 0.417 20 0 GCADHN C[NH2+]CCOCCN(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000627004751 530958101 /nfs/dbraw/zinc/95/81/01/530958101.db2.gz QUFWLAIHMYIKPQ-UHFFFAOYSA-N 0 3 398.938 0.557 20 0 GCADHN [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc([O-])c(Br)c3)C[C@H]12 ZINC000419413755 530958187 /nfs/dbraw/zinc/95/81/87/530958187.db2.gz SMYLDJFEIGXPRC-NTZNESFSSA-N 0 3 382.258 0.967 20 0 GCADHN O=C(Nc1ccnn1Cc1cccc(Br)c1)C(=O)NC1CNC1 ZINC000517223750 530958702 /nfs/dbraw/zinc/95/87/02/530958702.db2.gz KYKBBLKKIAWVEO-UHFFFAOYSA-N 0 3 378.230 0.720 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)[C@H](CN)C1 ZINC000517225878 530959171 /nfs/dbraw/zinc/95/91/71/530959171.db2.gz CBFUHUXUFNMFFG-CQSZACIVSA-N 0 3 383.290 0.209 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000419641325 530960397 /nfs/dbraw/zinc/96/03/97/530960397.db2.gz HZCQAVYVLPAWTJ-HIFRSBDPSA-N 0 3 395.301 0.998 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000419641326 530960578 /nfs/dbraw/zinc/96/05/78/530960578.db2.gz HZCQAVYVLPAWTJ-UKRRQHHQSA-N 0 3 395.301 0.998 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000632161084 530961317 /nfs/dbraw/zinc/96/13/17/530961317.db2.gz QYFAOINBJDRNOS-UHFFFAOYSA-N 0 3 375.516 0.550 20 0 GCADHN CN(Cc1ccc(Br)s1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420196248 530965790 /nfs/dbraw/zinc/96/57/90/530965790.db2.gz LIRVMRRLRFWVHM-SECBINFHSA-N 0 3 376.276 0.574 20 0 GCADHN CSC1(CNC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCN(C)CC1 ZINC000514700308 530962894 /nfs/dbraw/zinc/96/28/94/530962894.db2.gz RPOXTEFEDHDBCU-ZDUSSCGKSA-N 0 3 378.564 0.489 20 0 GCADHN COCCNCCNC(=O)C(=O)N(C)Cc1csc(Br)c1 ZINC000420188254 530965866 /nfs/dbraw/zinc/96/58/66/530965866.db2.gz SORORZIDJQJQFU-UHFFFAOYSA-N 0 3 378.292 0.821 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000420011327 530964180 /nfs/dbraw/zinc/96/41/80/530964180.db2.gz GPKPYINPSPVOOJ-JTQLQIEISA-N 0 3 395.261 0.452 20 0 GCADHN COCCS(=O)(=O)c1ccc(CNS(=O)(=O)CCCN(C)C)cc1 ZINC000632276784 530964282 /nfs/dbraw/zinc/96/42/82/530964282.db2.gz WKDPJAGUJISMNQ-UHFFFAOYSA-N 0 3 378.516 0.478 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418765232 530935234 /nfs/dbraw/zinc/93/52/34/530935234.db2.gz LMFRWXHCCMSTOI-GXFFZTMASA-N 0 3 376.226 0.909 20 0 GCADHN CCN(C(=O)C(=O)N[C@H](CN)C1CCCCC1)[C@H](C)CS(=O)(=O)CC ZINC000419961732 530964685 /nfs/dbraw/zinc/96/46/85/530964685.db2.gz GEYMUFWSZFHKII-UKRRQHHQSA-N 0 3 375.535 0.682 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000418816156 530936801 /nfs/dbraw/zinc/93/68/01/530936801.db2.gz YASFYBSXPJCQGV-QMMMGPOBSA-N 0 3 382.218 0.579 20 0 GCADHN CN(CCN)C(=O)C(=O)NCc1ccc(I)cc1Cl ZINC000418824380 530937371 /nfs/dbraw/zinc/93/73/71/530937371.db2.gz IWBPJLBGUVAHCY-UHFFFAOYSA-N 0 3 395.628 0.978 20 0 GCADHN Cc1cc(CNC(=O)C(=O)N[C@@H](C)CN)ccc1I ZINC000418828993 530938332 /nfs/dbraw/zinc/93/83/32/530938332.db2.gz MUHHKYPODUKREZ-VIFPVBQESA-N 0 3 375.210 0.679 20 0 GCADHN C[NH+](C)CC[C@@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000420036023 530964929 /nfs/dbraw/zinc/96/49/29/530964929.db2.gz IMWGNNRXTRLUAG-CYBMUJFWSA-N 0 3 383.923 0.499 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000512565209 530943843 /nfs/dbraw/zinc/94/38/43/530943843.db2.gz ORCUBZDTHDVKGB-WDEREUQCSA-N 0 3 397.544 0.381 20 0 GCADHN COCCN(Cc1ccc(Br)s1)C(=O)C(=O)N[C@@H](C)CN ZINC000420027341 530964999 /nfs/dbraw/zinc/96/49/99/530964999.db2.gz KWQKJKVMEJWSSP-VIFPVBQESA-N 0 3 378.292 0.949 20 0 GCADHN CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)CCCN(C)C)c1 ZINC000631725496 530946119 /nfs/dbraw/zinc/94/61/19/530946119.db2.gz ULISQAGCMLIRGI-UHFFFAOYSA-N 0 3 377.532 0.744 20 0 GCADHN COCCCNC(=O)C1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631780877 530947581 /nfs/dbraw/zinc/94/75/81/530947581.db2.gz BGTFANQCLGSVDF-UHFFFAOYSA-N 0 3 375.535 0.667 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@H](C)N(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631785131 530947981 /nfs/dbraw/zinc/94/79/81/530947981.db2.gz CHHQPLZFFXOKOK-HOTGVXAUSA-N 0 3 375.535 0.665 20 0 GCADHN CN(C)CCCS(=O)(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000631837545 530948882 /nfs/dbraw/zinc/94/88/82/530948882.db2.gz COXZULZBTRFKEY-LBPRGKRZSA-N 0 3 378.292 0.847 20 0 GCADHN C[C@H](NS(=O)(=O)CCCN(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000631892885 530949668 /nfs/dbraw/zinc/94/96/68/530949668.db2.gz ZDBRTCXLSBAWFF-ZDUSSCGKSA-N 0 3 377.532 0.869 20 0 GCADHN C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(C)(C)C[NH+](C)C ZINC000175827014 530950003 /nfs/dbraw/zinc/95/00/03/530950003.db2.gz ZQCXCISZTOMVFG-VIFPVBQESA-N 0 3 375.267 0.392 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CCCN(C)C)CC2)cs1 ZINC000631898410 530950156 /nfs/dbraw/zinc/95/01/56/530950156.db2.gz KTPQCPHWYRTTKF-UHFFFAOYSA-N 0 3 396.560 0.039 20 0 GCADHN COCCN1CCC(NC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000521277805 530965342 /nfs/dbraw/zinc/96/53/42/530965342.db2.gz ACGZJXAFBGSACD-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418951307 530952227 /nfs/dbraw/zinc/95/22/27/530952227.db2.gz XCIZLQHHSRKOJN-TZMCWYRMSA-N 0 3 382.258 0.657 20 0 GCADHN COCCNCCNC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418979363 530952442 /nfs/dbraw/zinc/95/24/42/530952442.db2.gz XHWLNZZTWMZRNT-UHFFFAOYSA-N 0 3 398.261 0.294 20 0 GCADHN CN(CCN)C(=O)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000418964367 530952566 /nfs/dbraw/zinc/95/25/66/530952566.db2.gz JDXAQUQDYZNEQJ-UHFFFAOYSA-N 0 3 395.628 0.978 20 0 GCADHN CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N(CCN)CCO ZINC000419047833 530954047 /nfs/dbraw/zinc/95/40/47/530954047.db2.gz AJOOXJOLCBWQTK-ZDUSSCGKSA-N 0 3 386.290 0.666 20 0 GCADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)NCCN)C2=O)ccc1Br ZINC000419051775 530954095 /nfs/dbraw/zinc/95/40/95/530954095.db2.gz GEMMNXMURMYQHQ-GFCCVEGCSA-N 0 3 383.246 0.054 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419050341 530954174 /nfs/dbraw/zinc/95/41/74/530954174.db2.gz DHPMRCBIGPYUHM-SKDRFNHKSA-N 0 3 383.246 0.134 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)CN)s1 ZINC000419073675 530954564 /nfs/dbraw/zinc/95/45/64/530954564.db2.gz QGYVCFBXIUJMQD-NSHDSACASA-N 0 3 390.531 0.200 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419074901 530954736 /nfs/dbraw/zinc/95/47/36/530954736.db2.gz ZYDVAOFDECLQJX-MFKMUULPSA-N 0 3 397.273 0.476 20 0 GCADHN CN(CCN)C(=O)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000419071010 530954926 /nfs/dbraw/zinc/95/49/26/530954926.db2.gz ICPOEKCSGXORPQ-UHFFFAOYSA-N 0 3 397.317 0.947 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000516695418 530954969 /nfs/dbraw/zinc/95/49/69/530954969.db2.gz ZKCXIXUACHYDEX-HUUCEWRRSA-N 0 3 375.539 0.383 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419075006 530955384 /nfs/dbraw/zinc/95/53/84/530955384.db2.gz NYBRIPNBNAGFFY-NEPJUHHUSA-N 0 3 383.290 0.855 20 0 GCADHN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCCN ZINC000419120136 530955673 /nfs/dbraw/zinc/95/56/73/530955673.db2.gz ZFQONELPNUGLPW-AWEZNQCLSA-N 0 3 386.290 0.978 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419075008 530955692 /nfs/dbraw/zinc/95/56/92/530955692.db2.gz NYBRIPNBNAGFFY-NWDGAFQWSA-N 0 3 383.290 0.855 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)c2cnn(CCN(C)C)c2)s1 ZINC000632003304 530955730 /nfs/dbraw/zinc/95/57/30/530955730.db2.gz XUCCMXHXAIWNLW-UHFFFAOYSA-N 0 3 385.515 0.523 20 0 GCADHN COc1ccc(Br)cc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419200388 530956152 /nfs/dbraw/zinc/95/61/52/530956152.db2.gz DOCLKNFGUBFQCR-GFCCVEGCSA-N 0 3 386.246 0.179 20 0 GCADHN CN(CCN)C(=O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000419150339 530956384 /nfs/dbraw/zinc/95/63/84/530956384.db2.gz LEDVEIZWYVCNAT-UHFFFAOYSA-N 0 3 380.246 0.668 20 0 GCADHN O=C(NCCOc1ccc(Br)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000419213794 530956818 /nfs/dbraw/zinc/95/68/18/530956818.db2.gz AGNYYISECCNAQE-CYBMUJFWSA-N 0 3 386.246 0.049 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000419187923 530957068 /nfs/dbraw/zinc/95/70/68/530957068.db2.gz NSWUJCSRYMYDGT-UKRRQHHQSA-N 0 3 395.301 0.998 20 0 GCADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2ncccc2Br)cn1 ZINC000193347283 530973752 /nfs/dbraw/zinc/97/37/52/530973752.db2.gz IZSFOLSGPMVOKN-UHFFFAOYSA-N 0 3 395.261 0.971 20 0 GCADHN CCS(=O)(=O)C[C@H](C)NCCNC(=O)c1ccc(Br)cn1 ZINC000658092399 530974986 /nfs/dbraw/zinc/97/49/86/530974986.db2.gz NMJVUGCHXOMZAA-JTQLQIEISA-N 0 3 378.292 0.987 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000522231041 530975370 /nfs/dbraw/zinc/97/53/70/530975370.db2.gz GHFOWDQPXCDTRC-LSDHHAIUSA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000522632517 530977887 /nfs/dbraw/zinc/97/78/87/530977887.db2.gz BQQHOBFZXRXKKL-NSHDSACASA-N 0 3 395.934 0.811 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@H]1CC[C@@H](CO)C1 ZINC000571762585 530980877 /nfs/dbraw/zinc/98/08/77/530980877.db2.gz LRXZMNXIQYUFIW-KGLIPLIRSA-N 0 3 390.527 0.461 20 0 GCADHN CN1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@@H](C[NH3+])C1 ZINC000571802476 530981845 /nfs/dbraw/zinc/98/18/45/530981845.db2.gz SZSFTXWDWJBAQD-JTQLQIEISA-N 0 3 395.312 0.373 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(Br)c1 ZINC000572136341 530985579 /nfs/dbraw/zinc/98/55/79/530985579.db2.gz XUEUKQGSXXXJPC-ZYHUDNBSSA-N 0 3 395.257 0.466 20 0 GCADHN Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NC[C@H]1CNCCO1)CC2 ZINC000420213625 530966612 /nfs/dbraw/zinc/96/66/12/530966612.db2.gz YVUPVPKUWXIWTK-CYBMUJFWSA-N 0 3 396.285 0.747 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000420212041 530966703 /nfs/dbraw/zinc/96/67/03/530966703.db2.gz XQKDCSYPONATPB-CYBMUJFWSA-N 0 3 398.257 0.275 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000420213487 530966755 /nfs/dbraw/zinc/96/67/55/530966755.db2.gz YPMDFHBHGJPBMT-JSGCOSHPSA-N 0 3 397.273 0.612 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000420209891 530966815 /nfs/dbraw/zinc/96/68/15/530966815.db2.gz VVDZLCCNKJFVHM-LBPRGKRZSA-N 0 3 386.905 0.150 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000420210918 530966852 /nfs/dbraw/zinc/96/68/52/530966852.db2.gz WNTPZWVULPAYQR-AWEZNQCLSA-N 0 3 382.258 0.438 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNS(=O)(=O)CCCN1CCCC1 ZINC000632331122 530967096 /nfs/dbraw/zinc/96/70/96/530967096.db2.gz GBBBDWNVNJUAEL-CABCVRRESA-N 0 3 381.564 0.500 20 0 GCADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)S(=O)(=O)CCCN(C)C)CC1 ZINC000632339678 530967757 /nfs/dbraw/zinc/96/77/57/530967757.db2.gz AWLQIGSPMGPKKQ-CQSZACIVSA-N 0 3 383.580 0.650 20 0 GCADHN [NH3+]CC[C@@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(F)F ZINC000420464473 530967982 /nfs/dbraw/zinc/96/79/82/530967982.db2.gz PDDWDWVAEYHHKV-CYBMUJFWSA-N 0 3 397.469 0.732 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)c1 ZINC000420463022 530968132 /nfs/dbraw/zinc/96/81/32/530968132.db2.gz NPQNUBIBOGCATH-CYBMUJFWSA-N 0 3 399.485 0.978 20 0 GCADHN [NH3+]CC[C@@H]([N-]S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(F)F ZINC000420452111 530968171 /nfs/dbraw/zinc/96/81/71/530968171.db2.gz BZABMBDJXOAWEU-CYBMUJFWSA-N 0 3 397.469 0.732 20 0 GCADHN O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000420476141 530968996 /nfs/dbraw/zinc/96/89/96/530968996.db2.gz IBTRLZWTPQGUAC-NSHDSACASA-N 0 3 381.376 0.245 20 0 GCADHN CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000420485331 530969439 /nfs/dbraw/zinc/96/94/39/530969439.db2.gz ZRUOBGJUGMWMOO-NSHDSACASA-N 0 3 378.292 0.782 20 0 GCADHN O=S(=O)(NC[C@@H]1CNCCO1)c1cccc(I)c1 ZINC000420482482 530969467 /nfs/dbraw/zinc/96/94/67/530969467.db2.gz UMPAQCIVBINFMO-JTQLQIEISA-N 0 3 382.223 0.558 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)C[C@@H](CC(C)C)OC)CC1 ZINC000420672931 530970171 /nfs/dbraw/zinc/97/01/71/530970171.db2.gz YQZPIJVRIILKIX-MRXNPFEDSA-N 0 3 377.551 0.863 20 0 GCADHN COCCc1nc(CS(=O)(=O)C(C)C(=O)NCCc2cccs2)no1 ZINC000521990515 530972333 /nfs/dbraw/zinc/97/23/33/530972333.db2.gz NUALTYGSEADQNM-LLVKDONJSA-N 0 3 387.483 0.982 20 0 GCADHN Cc1ccc(Br)cc1NC(=O)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000261992141 530991656 /nfs/dbraw/zinc/99/16/56/530991656.db2.gz CWOYZUHAFNQGNC-HNNXBMFYSA-N 0 3 399.289 0.912 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)C2(S(C)(=O)=O)CCNCC2)c1 ZINC000262038516 530992255 /nfs/dbraw/zinc/99/22/55/530992255.db2.gz FWXVAEVPEGKOPZ-UHFFFAOYSA-N 0 3 389.499 0.042 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@H]([NH3+])C2CC2)c(Br)c1 ZINC000262012058 530992610 /nfs/dbraw/zinc/99/26/10/530992610.db2.gz 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CC1(C)CCCN(CCNC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000580513069 530997283 /nfs/dbraw/zinc/99/72/83/530997283.db2.gz OBFJKAPAFOOFEQ-UHFFFAOYSA-N 0 3 392.591 0.786 20 0 GCADHN COCCN(C)C[C@H](O)CN1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301061 530988998 /nfs/dbraw/zinc/98/89/98/530988998.db2.gz VXUPHTLLRAYMEP-IRXDYDNUSA-N 0 3 377.551 0.252 20 0 GCADHN NCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000237884524 530989234 /nfs/dbraw/zinc/98/92/34/530989234.db2.gz OPCZILUQEVQKOQ-GFCCVEGCSA-N 0 3 382.258 0.945 20 0 GCADHN C[C@@]1(C[NH3+])CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000261735834 530989342 /nfs/dbraw/zinc/98/93/42/530989342.db2.gz DBUUCLAQPYJRKI-LBPRGKRZSA-N 0 3 396.332 0.986 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659910814 530998415 /nfs/dbraw/zinc/99/84/15/530998415.db2.gz UOQDDZWNEHTOES-DOMZBBRYSA-N 0 3 384.527 0.995 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000524777665 530990423 /nfs/dbraw/zinc/99/04/23/530990423.db2.gz 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ZINC000528760175 531014847 /nfs/dbraw/zinc/01/48/47/531014847.db2.gz WMKYGEJEAASQFQ-HNNXBMFYSA-N 0 3 375.535 0.664 20 0 GCADHN CN(CCCNC(=O)CN1CCC[C@@H]([C@@H]2CCCCO2)C1)S(C)(=O)=O ZINC000661872092 531017063 /nfs/dbraw/zinc/01/70/63/531017063.db2.gz AVAYBLIWWGKGNR-CVEARBPZSA-N 0 3 375.535 0.665 20 0 GCADHN CN(CCN)C(=O)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000423218414 531017531 /nfs/dbraw/zinc/01/75/31/531017531.db2.gz VLIZMTYGJYBUBQ-UHFFFAOYSA-N 0 3 397.273 0.151 20 0 GCADHN COCCN(Cc1cc(Br)cs1)C(=O)C(=O)N(C)CCN ZINC000423578665 531017928 /nfs/dbraw/zinc/01/79/28/531017928.db2.gz MGZYPXAGUPFIQN-UHFFFAOYSA-N 0 3 378.292 0.903 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)C[C@H]1N ZINC000423576339 531017941 /nfs/dbraw/zinc/01/79/41/531017941.db2.gz ZZFAFDVNWAHQKS-WQAKAFBOSA-N 0 3 385.873 0.432 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)C[C@@H]1N ZINC000423576333 531017977 /nfs/dbraw/zinc/01/79/77/531017977.db2.gz ZZFAFDVNWAHQKS-JIMOISOXSA-N 0 3 385.873 0.432 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000423696434 531018570 /nfs/dbraw/zinc/01/85/70/531018570.db2.gz HZSVPYYKKJUOCV-QMMMGPOBSA-N 0 3 380.396 0.011 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000423990496 531019338 /nfs/dbraw/zinc/01/93/38/531019338.db2.gz KIRUJOGJGHBKEP-NWDGAFQWSA-N 0 3 382.258 0.907 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000423984049 531019487 /nfs/dbraw/zinc/01/94/87/531019487.db2.gz BDALOLQWDCGTHL-BXUZGUMPSA-N 0 3 382.258 0.907 20 0 GCADHN C[NH2+]CCCN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000424029666 531019542 /nfs/dbraw/zinc/01/95/42/531019542.db2.gz GBOQNCJNODLMMN-UHFFFAOYSA-N 0 3 384.321 0.857 20 0 GCADHN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CNCCO1 ZINC000423994699 531019607 /nfs/dbraw/zinc/01/96/07/531019607.db2.gz SVBLEHQBOIXQKB-LLVKDONJSA-N 0 3 381.376 0.088 20 0 GCADHN [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000662452801 531021238 /nfs/dbraw/zinc/02/12/38/531021238.db2.gz MANBWKWQGNFFCY-VXGBXAGGSA-N 0 3 381.376 0.830 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCN(C)C3CC3)CC2)cs1 ZINC000527163746 531021347 /nfs/dbraw/zinc/02/13/47/531021347.db2.gz MZVCYISRAYSBOH-UHFFFAOYSA-N 0 3 387.531 0.562 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000123428177 531022347 /nfs/dbraw/zinc/02/23/47/531022347.db2.gz NDBOGJAMCKBXEO-LLVKDONJSA-N 0 3 391.209 0.268 20 0 GCADHN [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000662811137 531023148 /nfs/dbraw/zinc/02/31/48/531023148.db2.gz HHOCAOJDLUHIDY-ZYHUDNBSSA-N 0 3 379.841 0.237 20 0 GCADHN Cc1ccc(CN2CC[C@H](CN(C)C(=O)CNS(=O)(=O)N(C)C)C2)s1 ZINC000614596593 531028156 /nfs/dbraw/zinc/02/81/56/531028156.db2.gz DJDDLEGMIVFYCT-CQSZACIVSA-N 0 3 388.559 0.733 20 0 GCADHN COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)NCCCN(C)S(C)(=O)=O ZINC000538380293 531032428 /nfs/dbraw/zinc/03/24/28/531032428.db2.gz LZBIGUCOKAKZHM-CJNGLKHVSA-N 0 3 377.507 0.096 20 0 GCADHN COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)s1 ZINC000262759606 531062233 /nfs/dbraw/zinc/06/22/33/531062233.db2.gz QVUHAIWVEVTRQH-UHFFFAOYSA-N 0 3 377.488 0.117 20 0 GCADHN [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000262760957 531062960 /nfs/dbraw/zinc/06/29/60/531062960.db2.gz RHQSNHCRYKHNLA-SECBINFHSA-N 0 3 387.405 0.249 20 0 GCADHN CC1(C)CN(S(=O)(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000537437286 531064214 /nfs/dbraw/zinc/06/42/14/531064214.db2.gz LRFLVZUMFBGFCG-JKSUJKDBSA-N 0 3 375.535 0.700 20 0 GCADHN CCC[NH2+]CC[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000262766678 531064261 /nfs/dbraw/zinc/06/42/61/531064261.db2.gz KXFNVZAFHMBCOY-UHFFFAOYSA-N 0 3 383.561 0.508 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@H](C)CCS(C)(=O)=O)CC1 ZINC000542147609 531064273 /nfs/dbraw/zinc/06/42/73/531064273.db2.gz CRVWJOXHINLKCE-ZIAGYGMSSA-N 0 3 376.519 0.980 20 0 GCADHN CC1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC[NH2+]CC1 ZINC000262777362 531065267 /nfs/dbraw/zinc/06/52/67/531065267.db2.gz NSRFAANFQVUUGK-UHFFFAOYSA-N 0 3 379.479 0.865 20 0 GCADHN CN(C)CCOC1CCN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000533119684 531035821 /nfs/dbraw/zinc/03/58/21/531035821.db2.gz JKRWYWFGZQDNME-CQSZACIVSA-N 0 3 376.523 0.163 20 0 GCADHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000663693169 531035998 /nfs/dbraw/zinc/03/59/98/531035998.db2.gz LLCMECZCCGLWSY-OAHLLOKOSA-N 0 3 377.555 0.533 20 0 GCADHN COCCN(C(=O)NC[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000539171126 531039857 /nfs/dbraw/zinc/03/98/57/531039857.db2.gz WJGOXAMJPDFDTM-JKSUJKDBSA-N 0 3 375.535 0.952 20 0 GCADHN CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](CO)CN(C)C)s2)CC1 ZINC000614854586 531042014 /nfs/dbraw/zinc/04/20/14/531042014.db2.gz QTFXEMGAJBMMEN-CYBMUJFWSA-N 0 3 389.543 0.821 20 0 GCADHN COCCN(C(=O)NC[C@H]1CCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000536978542 531042523 /nfs/dbraw/zinc/04/25/23/531042523.db2.gz RFWHEEZUSYTXRV-CVEARBPZSA-N 0 3 375.535 0.809 20 0 GCADHN COCCN(C(=O)NC[C@H]1CCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000536978544 531042666 /nfs/dbraw/zinc/04/26/66/531042666.db2.gz RFWHEEZUSYTXRV-HZPDHXFCSA-N 0 3 375.535 0.809 20 0 GCADHN C[NH+](C)C[C@@H](CO)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000614859510 531044420 /nfs/dbraw/zinc/04/44/20/531044420.db2.gz QLWQZBUKOLOUSZ-JTQLQIEISA-N 0 3 398.312 0.701 20 0 GCADHN O=S(=O)(C[C@H](O)CNC1CCN(c2cnccn2)CC1)c1cccs1 ZINC000540151352 531046797 /nfs/dbraw/zinc/04/67/97/531046797.db2.gz NVHVDETYVCIIQG-CQSZACIVSA-N 0 3 382.511 0.931 20 0 GCADHN CC1CCC(N2CCN(C(=O)NCCOCCS(N)(=O)=O)CC2)CC1 ZINC000665100846 531047787 /nfs/dbraw/zinc/04/77/87/531047787.db2.gz DDJJUXQNFINQEF-UHFFFAOYSA-N 0 3 376.523 0.197 20 0 GCADHN NS(=O)(=O)CCOCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000665103122 531047983 /nfs/dbraw/zinc/04/79/83/531047983.db2.gz JOFUXPCPSPHAAD-UHFFFAOYSA-N 0 3 376.523 0.199 20 0 GCADHN CN(C)CCNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC000665110480 531048820 /nfs/dbraw/zinc/04/88/20/531048820.db2.gz FYEFOMHSDWZPDZ-UHFFFAOYSA-N 0 3 375.516 0.433 20 0 GCADHN C[C@]1(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC[NH2+]C1 ZINC000612907432 531049263 /nfs/dbraw/zinc/04/92/63/531049263.db2.gz SKBUTYQTGRWBSA-AWEZNQCLSA-N 0 3 378.857 0.809 20 0 GCADHN C[C@@]1(NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC[NH2+]C1 ZINC000612907418 531049356 /nfs/dbraw/zinc/04/93/56/531049356.db2.gz SBHQLXPHBFNHMO-CQSZACIVSA-N 0 3 378.857 0.809 20 0 GCADHN CN(C)CCn1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)n1 ZINC000523716629 531051799 /nfs/dbraw/zinc/05/17/99/531051799.db2.gz ZTEUCIKFDOKCKA-UHFFFAOYSA-N 0 3 385.515 0.850 20 0 GCADHN CC(C)CS(=O)(=O)N1CCC(NC(=O)NC[C@](C)(O)CN(C)C)CC1 ZINC000540851271 531052777 /nfs/dbraw/zinc/05/27/77/531052777.db2.gz OLQCPSDKZHOXMA-INIZCTEOSA-N 0 3 378.539 0.048 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)Cc2ccc(F)cc2F)C1 ZINC000540938438 531053596 /nfs/dbraw/zinc/05/35/96/531053596.db2.gz IQGWCBZHVZTXND-GFCCVEGCSA-N 0 3 375.441 0.972 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H](C)CS(=O)(=O)CC)CC1 ZINC000541253099 531055691 /nfs/dbraw/zinc/05/56/91/531055691.db2.gz QQZJHRKKAXMWLT-KBPBESRZSA-N 0 3 376.519 0.980 20 0 GCADHN CCCN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349516014 531058573 /nfs/dbraw/zinc/05/85/73/531058573.db2.gz CLXRHQNRKPPABI-UHFFFAOYSA-N 0 3 390.531 0.729 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)s1 ZINC000262744154 531058985 /nfs/dbraw/zinc/05/89/85/531058985.db2.gz JSUZSYCDTUHLQO-NSHDSACASA-N 0 3 383.499 0.707 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000541555829 531059291 /nfs/dbraw/zinc/05/92/91/531059291.db2.gz NZJLJGXCUWWXKI-GFCCVEGCSA-N 0 3 388.921 0.743 20 0 GCADHN C[C@H]([NH3+])CCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000262744692 531059298 /nfs/dbraw/zinc/05/92/98/531059298.db2.gz LFIUWNDJKSZBQR-VIFPVBQESA-N 0 3 389.421 0.543 20 0 GCADHN CCC[NH2+]CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000262747163 531059987 /nfs/dbraw/zinc/05/99/87/531059987.db2.gz FHDQJXRDSDUBPR-UHFFFAOYSA-N 0 3 379.504 0.735 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c(OC)c1 ZINC000262749604 531060077 /nfs/dbraw/zinc/06/00/77/531060077.db2.gz BKZQYZHUEUILAW-GFCCVEGCSA-N 0 3 377.488 0.472 20 0 GCADHN CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000537717889 531076551 /nfs/dbraw/zinc/07/65/51/531076551.db2.gz CEXPFBKNBFBKQU-OLZOCXBDSA-N 0 3 377.532 0.624 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 ZINC000545156941 531083210 /nfs/dbraw/zinc/08/32/10/531083210.db2.gz OCXPLJLPALXYGY-MRXNPFEDSA-N 0 3 396.241 0.228 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)C1 ZINC000545154415 531083302 /nfs/dbraw/zinc/08/33/02/531083302.db2.gz PGMQTSWWYYGXOG-CQSZACIVSA-N 0 3 391.287 0.649 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000514950810 531085483 /nfs/dbraw/zinc/08/54/83/531085483.db2.gz PAJOSYICYIZFFK-ZWNOBZJWSA-N 0 3 385.251 0.494 20 0 GCADHN Cc1nc(NCc2ccccc2CN2CC[C@H](O)C2)sc1S(N)(=O)=O ZINC000554934003 531085939 /nfs/dbraw/zinc/08/59/39/531085939.db2.gz NMGDFIZRRUHDBE-AWEZNQCLSA-N 0 3 382.511 1.278 20 0 GCADHN N[C@@H]1C[C@@H]2CN(Cc3cc4c(cc3Br)OCCO4)CCN2C1=O ZINC000515312797 531088089 /nfs/dbraw/zinc/08/80/89/531088089.db2.gz QGAJIQWVDKUXKX-DGCLKSJQSA-N 0 3 382.258 0.964 20 0 GCADHN CS[C@H]1CN(S(=O)(=O)CCCN2CCOCC2)C[C@@H]1N1CCCC1 ZINC000614987222 531088546 /nfs/dbraw/zinc/08/85/46/531088546.db2.gz JDKZRAZERSPMIF-HOTGVXAUSA-N 0 3 377.576 0.550 20 0 GCADHN [NH3+][C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000515384926 531088911 /nfs/dbraw/zinc/08/89/11/531088911.db2.gz OKCPQJMCADVBSK-SECBINFHSA-N 0 3 396.694 0.940 20 0 GCADHN O=C(CN1CCNCC1)NCc1cn(-c2ccc(Br)cc2)nn1 ZINC000630586064 531090600 /nfs/dbraw/zinc/09/06/00/531090600.db2.gz SLVTWWNOWLLPLM-UHFFFAOYSA-N 0 3 379.262 0.551 20 0 GCADHN CN1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000546568910 531091197 /nfs/dbraw/zinc/09/11/97/531091197.db2.gz DSZHWFGYKDFEMH-PXAZEXFGSA-N 0 3 396.285 0.985 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000546583326 531092101 /nfs/dbraw/zinc/09/21/01/531092101.db2.gz QQTIOKIJCLLMHA-CQSZACIVSA-N 0 3 392.200 0.849 20 0 GCADHN C[C@@H]1C[C@H](NCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCO1 ZINC000516453271 531096027 /nfs/dbraw/zinc/09/60/27/531096027.db2.gz FKOZWVDGMCTGRP-ZIAGYGMSSA-N 0 3 390.527 0.868 20 0 GCADHN C[C@H]1C[C@H](NCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCO1 ZINC000516453270 531096048 /nfs/dbraw/zinc/09/60/48/531096048.db2.gz FKOZWVDGMCTGRP-UONOGXRCSA-N 0 3 390.527 0.868 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@H]2C[NH3+])s1 ZINC000428996585 531104948 /nfs/dbraw/zinc/10/49/48/531104948.db2.gz SATVFOZTJLUROM-LBPRGKRZSA-N 0 3 388.515 0.002 20 0 GCADHN CS[C@@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)C[C@H]1N1CCCC1 ZINC000547626381 531101939 /nfs/dbraw/zinc/10/19/39/531101939.db2.gz ARLSWHMBWKJGFG-HZPDHXFCSA-N 0 3 383.539 0.915 20 0 GCADHN CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](N)C1 ZINC000428490703 531103187 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GCADHN Cc1cc(F)ccc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000548140782 531110869 /nfs/dbraw/zinc/11/08/69/531110869.db2.gz QLDQDCDTYDFZIR-BXUZGUMPSA-N 0 3 377.459 0.741 20 0 GCADHN CCCCS(=O)(=O)N1CCC(C(=O)NC[C@](C)(O)CCN(C)C)CC1 ZINC000429902114 531110980 /nfs/dbraw/zinc/11/09/80/531110980.db2.gz LBKQSYMWOUUIBU-QGZVFWFLSA-N 0 3 377.551 0.647 20 0 GCADHN CN(Cc1ccccc1Br)C(=O)CCNC(=O)COC1CNC1 ZINC000430499714 531112861 /nfs/dbraw/zinc/11/28/61/531112861.db2.gz BFMUVDODJOCEDB-UHFFFAOYSA-N 0 3 384.274 0.902 20 0 GCADHN C[C@@H](CCS(C)(=O)=O)NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000431285957 531115289 /nfs/dbraw/zinc/11/52/89/531115289.db2.gz CVMCHKCFJCZQQI-AWEZNQCLSA-N 0 3 376.523 0.101 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000564350163 531115920 /nfs/dbraw/zinc/11/59/20/531115920.db2.gz SFBHEGKFQWSJGH-UHFFFAOYSA-N 0 3 389.440 0.381 20 0 GCADHN O=C(CNS(=O)(=O)CCOCC(F)(F)F)NCCN1CCCCCC1 ZINC000431575484 531116673 /nfs/dbraw/zinc/11/66/73/531116673.db2.gz QXQXWTFGIQRSGK-UHFFFAOYSA-N 0 3 389.440 0.477 20 0 GCADHN CC(C(=O)NCc1cccs1)S(=O)(=O)Cc1nnnn1CC(F)(F)F ZINC000431576039 531117041 /nfs/dbraw/zinc/11/70/41/531117041.db2.gz BYFSDDIRCREQMF-QMMMGPOBSA-N 0 3 397.404 0.917 20 0 GCADHN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](CO)CN(C)C ZINC000673519822 531117202 /nfs/dbraw/zinc/11/72/02/531117202.db2.gz CJWCKKXRGRSMQU-WFASDCNBSA-N 0 3 375.466 0.167 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000673522335 531117601 /nfs/dbraw/zinc/11/76/01/531117601.db2.gz VOGDKHZBKJMDOV-GFCCVEGCSA-N 0 3 375.516 0.114 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000673524548 531117962 /nfs/dbraw/zinc/11/79/62/531117962.db2.gz YMCGIQOLZBKNJZ-CYBMUJFWSA-N 0 3 389.543 0.504 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000673530533 531118005 /nfs/dbraw/zinc/11/80/05/531118005.db2.gz JJJMXDGOTYNKAG-KGLIPLIRSA-N 0 3 387.527 0.474 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000673524549 531118112 /nfs/dbraw/zinc/11/81/12/531118112.db2.gz YMCGIQOLZBKNJZ-ZDUSSCGKSA-N 0 3 389.543 0.504 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000673523513 531118149 /nfs/dbraw/zinc/11/81/49/531118149.db2.gz TZHYVFRXFPNPTL-LBPRGKRZSA-N 0 3 397.273 0.588 20 0 GCADHN CC(C)CN1CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000079885147 531120628 /nfs/dbraw/zinc/12/06/28/531120628.db2.gz XWPKGROZASJYNO-UHFFFAOYSA-N 0 3 376.567 0.436 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000432716527 531125002 /nfs/dbraw/zinc/12/50/02/531125002.db2.gz JXLNBTXTTOIRFQ-HNNXBMFYSA-N 0 3 377.551 0.956 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C[C@@H](C)O1 ZINC000433095340 531127427 /nfs/dbraw/zinc/12/74/27/531127427.db2.gz XSGRGOFYADRKBB-KFWWJZLASA-N 0 3 377.551 0.956 20 0 GCADHN CCN(CCCNC(=O)NCCCN1CCCO[C@H](C)C1)S(C)(=O)=O ZINC000433339788 531127965 /nfs/dbraw/zinc/12/79/65/531127965.db2.gz MJNRMXULMOYXNI-OAHLLOKOSA-N 0 3 378.539 0.458 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)C[C@H](C)O1 ZINC000674731702 531128094 /nfs/dbraw/zinc/12/80/94/531128094.db2.gz HYPICVGGZZQRIJ-OWCLPIDISA-N 0 3 375.535 0.806 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC000433355108 531129032 /nfs/dbraw/zinc/12/90/32/531129032.db2.gz PXMXJXUEWBWNIJ-UHFFFAOYSA-N 0 3 391.515 0.459 20 0 GCADHN C[C@H]1CN(CCCNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CCCO1 ZINC000433400763 531129641 /nfs/dbraw/zinc/12/96/41/531129641.db2.gz UWGGUPODYZBFNI-LSDHHAIUSA-N 0 3 376.523 0.068 20 0 GCADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433460802 531130520 /nfs/dbraw/zinc/13/05/20/531130520.db2.gz BYVLBAHSWMQSNQ-CABCVRRESA-N 0 3 376.523 0.211 20 0 GCADHN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CCN1C ZINC000433660496 531131191 /nfs/dbraw/zinc/13/11/91/531131191.db2.gz PVVBDDQZGIBRPM-QWRGUYRKSA-N 0 3 379.479 0.958 20 0 GCADHN CC[C@@H](CN1CCCC1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000675631712 531132251 /nfs/dbraw/zinc/13/22/51/531132251.db2.gz XSCHEWFXKOOCRA-HNNXBMFYSA-N 0 3 389.543 0.759 20 0 GCADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2nn(C)cc2Br)cn1 ZINC000551420213 531137026 /nfs/dbraw/zinc/13/70/26/531137026.db2.gz SGWLHBHZJRPQAU-UHFFFAOYSA-N 0 3 398.265 0.309 20 0 GCADHN C[C@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(=O)NCCN(C)C ZINC000552303717 531143487 /nfs/dbraw/zinc/14/34/87/531143487.db2.gz ZZIPXPIJPILIOS-JTQLQIEISA-N 0 3 390.893 0.508 20 0 GCADHN C[NH2+]C[C@@H](C)CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000154789460 531143736 /nfs/dbraw/zinc/14/37/36/531143736.db2.gz GYRMPARSSMWDKI-MRVPVSSYSA-N 0 3 384.321 0.761 20 0 GCADHN C[C@@H](CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)S(C)(=O)=O ZINC000677170824 531144332 /nfs/dbraw/zinc/14/43/32/531144332.db2.gz GSAWEAQIWJUBNI-KFWWJZLASA-N 0 3 375.535 0.950 20 0 GCADHN CC(C)C[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000615230155 531145268 /nfs/dbraw/zinc/14/52/68/531145268.db2.gz FZRMGUVWHBBPQQ-ZNMIVQPWSA-N 0 3 375.535 0.361 20 0 GCADHN O=C(NCCCN1CCC(O)CC1)C(=O)Nc1cncc(Br)c1 ZINC000677455208 531146118 /nfs/dbraw/zinc/14/61/18/531146118.db2.gz GDSRNZJCNFJDKB-UHFFFAOYSA-N 0 3 385.262 0.746 20 0 GCADHN O=C(CNC1CC1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000551983595 531140908 /nfs/dbraw/zinc/14/09/08/531140908.db2.gz WPGPEJWUCXXOCE-UHFFFAOYSA-N 0 3 381.483 0.276 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cncc(Br)c2)CC1=O ZINC000552107843 531142239 /nfs/dbraw/zinc/14/22/39/531142239.db2.gz VOYIVRJITVPHPH-CQSZACIVSA-N 0 3 399.289 0.753 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCN1CC[C@@H](O)C1 ZINC000629179269 531150347 /nfs/dbraw/zinc/15/03/47/531150347.db2.gz ROFIRKSYHNHFTA-CYBMUJFWSA-N 0 3 375.878 0.191 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)N(C)C ZINC000678666964 531152373 /nfs/dbraw/zinc/15/23/73/531152373.db2.gz RCVNSLMOFMHFDB-VIFPVBQESA-N 0 3 376.866 0.716 20 0 GCADHN C[C@@H](CS(=O)(=O)c1ccccc1)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000680462738 531160985 /nfs/dbraw/zinc/16/09/85/531160985.db2.gz SPEUGLFFXLWSQR-HNNXBMFYSA-N 0 3 389.543 0.016 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNCc1ccc(S(C)(=O)=O)cc1 ZINC000554723822 531165014 /nfs/dbraw/zinc/16/50/14/531165014.db2.gz SNBNLXYEOGZGPD-HNNXBMFYSA-N 0 3 389.543 0.841 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000440250100 531169753 /nfs/dbraw/zinc/16/97/53/531169753.db2.gz ZDUSLZOLFLSJQB-OAHLLOKOSA-N 0 3 378.539 0.457 20 0 GCADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@H]1C[NH3+] ZINC000440428526 531173417 /nfs/dbraw/zinc/17/34/17/531173417.db2.gz QMRQFPSTYVMNTK-YGRLFVJLSA-N 0 3 379.479 0.945 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CCSC1 ZINC000556202815 531173667 /nfs/dbraw/zinc/17/36/67/531173667.db2.gz CZQBYWLRNHYFAZ-AWEZNQCLSA-N 0 3 382.452 0.246 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)cc1F ZINC000440838512 531177314 /nfs/dbraw/zinc/17/73/14/531177314.db2.gz SBKMNWMJQAPVKF-NSHDSACASA-N 0 3 379.479 0.865 20 0 GCADHN C[C@]1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCC[NH2+]C1 ZINC000440839862 531177009 /nfs/dbraw/zinc/17/70/09/531177009.db2.gz DDMMFISJPIYALO-AWEZNQCLSA-N 0 3 379.479 0.865 20 0 GCADHN COc1cc(Cl)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC ZINC000565239183 531182723 /nfs/dbraw/zinc/18/27/23/531182723.db2.gz JSRQCQWTQBJPNU-GXSJLCMTSA-N 0 3 389.861 0.290 20 0 GCADHN N[C@@H]1C[C@@H]2CN(Cc3nnnn3-c3ccccc3Br)CCN2C1=O ZINC000565237493 531182781 /nfs/dbraw/zinc/18/27/81/531182781.db2.gz CNNUCDAPAAAJSX-ZYHUDNBSSA-N 0 3 392.261 0.169 20 0 GCADHN O=C(C[C@@H]1CSCC[NH2+]1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000565357888 531184806 /nfs/dbraw/zinc/18/48/06/531184806.db2.gz HQZNCYZBXVDEKS-LLVKDONJSA-N 0 3 379.454 0.454 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NC2CNC2)ccc1Cl ZINC000572493610 531187027 /nfs/dbraw/zinc/18/70/27/531187027.db2.gz GWWTWFVSDRNALF-UHFFFAOYSA-N 0 3 388.877 0.397 20 0 GCADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)NC[C@H]1CCCN1C)C1CCCC1 ZINC000565583744 531187761 /nfs/dbraw/zinc/18/77/61/531187761.db2.gz UHSQGEOTVCHDSS-HUUCEWRRSA-N 0 3 375.539 0.335 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264561940 531190840 /nfs/dbraw/zinc/19/08/40/531190840.db2.gz FSRULSXWTKUJDJ-LLVKDONJSA-N 0 3 385.262 0.798 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C[C@@H]1O ZINC000565966396 531193159 /nfs/dbraw/zinc/19/31/59/531193159.db2.gz FTUUYDXNEADFEH-UGFHNGPFSA-N 0 3 396.285 0.935 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CCSC1 ZINC000565906741 531191711 /nfs/dbraw/zinc/19/17/11/531191711.db2.gz WMPSVCIKBVVXFB-COXVUDFISA-N 0 3 387.571 0.711 20 0 GCADHN COC(=O)c1cn(CCNC[C@@H](O)COc2ccc(Br)cc2)nn1 ZINC000566130216 531194707 /nfs/dbraw/zinc/19/47/07/531194707.db2.gz MXRMYIZRLFALDJ-GFCCVEGCSA-N 0 3 399.245 0.857 20 0 GCADHN COC(=O)c1cn(CCNC[C@H](O)COc2ccc(Br)cc2)nn1 ZINC000566130218 531194851 /nfs/dbraw/zinc/19/48/51/531194851.db2.gz MXRMYIZRLFALDJ-LBPRGKRZSA-N 0 3 399.245 0.857 20 0 GCADHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)NC)C1 ZINC000442984598 531193197 /nfs/dbraw/zinc/19/31/97/531193197.db2.gz URVODBLWHYCDGM-ZDUSSCGKSA-N 0 3 375.516 0.605 20 0 GCADHN CN(C)CCOCCNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000443042273 531195510 /nfs/dbraw/zinc/19/55/10/531195510.db2.gz XQIHFSWYQJLCIS-UHFFFAOYSA-N 0 3 394.291 0.405 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000359932799 209203665 /nfs/dbraw/zinc/20/36/65/209203665.db2.gz DFGCYJJKWRJVHV-UHFFFAOYSA-N 0 3 388.516 0.712 20 0 GCADHN C[C@@H](CNC(=O)CCn1cc(S(N)(=O)=O)cn1)N(C)Cc1ccccc1 ZINC000110965780 533895525 /nfs/dbraw/zinc/89/55/25/533895525.db2.gz QTLHUPOZBFNWNH-AWEZNQCLSA-N 0 3 379.486 0.557 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]C1CCN(C[C@@H]3CCCO3)CC1)C2 ZINC000738450102 598837710 /nfs/dbraw/zinc/83/77/10/598837710.db2.gz OBNVWRRPPLXVSX-ZFWWWQNUSA-N 0 3 387.492 0.338 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]C1CCN(C[C@@H]3CCCO3)CC1)C2 ZINC000738450102 598837712 /nfs/dbraw/zinc/83/77/12/598837712.db2.gz OBNVWRRPPLXVSX-ZFWWWQNUSA-N 0 3 387.492 0.338 20 0 GCADHN O=C(NCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1cccs1 ZINC000738065318 598838020 /nfs/dbraw/zinc/83/80/20/598838020.db2.gz IQAYUNNAMBDACH-NSHDSACASA-N 0 3 387.473 0.576 20 0 GCADHN O=C(NCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1cccs1 ZINC000738065318 598838021 /nfs/dbraw/zinc/83/80/21/598838021.db2.gz IQAYUNNAMBDACH-NSHDSACASA-N 0 3 387.473 0.576 20 0 GCADHN CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735944176 598841001 /nfs/dbraw/zinc/84/10/01/598841001.db2.gz YMMVSAHBXCGPGO-GJZGRUSLSA-N 0 3 398.471 0.926 20 0 GCADHN C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736800852 598845078 /nfs/dbraw/zinc/84/50/78/598845078.db2.gz COZWQTJVDCHOJC-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736800852 598845080 /nfs/dbraw/zinc/84/50/80/598845080.db2.gz COZWQTJVDCHOJC-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736800852 598845082 /nfs/dbraw/zinc/84/50/82/598845082.db2.gz COZWQTJVDCHOJC-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736800852 598845084 /nfs/dbraw/zinc/84/50/84/598845084.db2.gz COZWQTJVDCHOJC-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@H+](C)CCCO)CC1 ZINC000736900296 598863505 /nfs/dbraw/zinc/86/35/05/598863505.db2.gz DPOREPOMAVWBCD-QGZVFWFLSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000736900296 598863506 /nfs/dbraw/zinc/86/35/06/598863506.db2.gz DPOREPOMAVWBCD-QGZVFWFLSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@H+](C)CCCO)CC1 ZINC000736900296 598863507 /nfs/dbraw/zinc/86/35/07/598863507.db2.gz DPOREPOMAVWBCD-QGZVFWFLSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000736900296 598863508 /nfs/dbraw/zinc/86/35/08/598863508.db2.gz DPOREPOMAVWBCD-QGZVFWFLSA-N 0 3 388.472 0.859 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737764287 598897984 /nfs/dbraw/zinc/89/79/84/598897984.db2.gz KHLYAHQZIBPJRN-LBPRGKRZSA-N 0 3 375.458 0.620 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737764287 598897986 /nfs/dbraw/zinc/89/79/86/598897986.db2.gz KHLYAHQZIBPJRN-LBPRGKRZSA-N 0 3 375.458 0.620 20 0 GCADHN O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000738162663 598908332 /nfs/dbraw/zinc/90/83/32/598908332.db2.gz KWRHEUVAOWZPJT-GFCCVEGCSA-N 0 3 387.419 0.889 20 0 GCADHN O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000738162663 598908333 /nfs/dbraw/zinc/90/83/33/598908333.db2.gz KWRHEUVAOWZPJT-GFCCVEGCSA-N 0 3 387.419 0.889 20 0 GCADHN C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736765584 598911686 /nfs/dbraw/zinc/91/16/86/598911686.db2.gz YKMAVAIXNZMPMW-GFCCVEGCSA-N 0 3 381.444 0.658 20 0 GCADHN C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736765584 598911688 /nfs/dbraw/zinc/91/16/88/598911688.db2.gz YKMAVAIXNZMPMW-GFCCVEGCSA-N 0 3 381.444 0.658 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737766375 598915932 /nfs/dbraw/zinc/91/59/32/598915932.db2.gz ZVVQBTSKCKIGIX-GFCCVEGCSA-N 0 3 393.473 0.196 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737766375 598915933 /nfs/dbraw/zinc/91/59/33/598915933.db2.gz ZVVQBTSKCKIGIX-GFCCVEGCSA-N 0 3 393.473 0.196 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000736184574 599034315 /nfs/dbraw/zinc/03/43/15/599034315.db2.gz LWWWRABUPYMMOJ-JKSUJKDBSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000736184574 599034317 /nfs/dbraw/zinc/03/43/17/599034317.db2.gz LWWWRABUPYMMOJ-JKSUJKDBSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000736184574 599034320 /nfs/dbraw/zinc/03/43/20/599034320.db2.gz LWWWRABUPYMMOJ-JKSUJKDBSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000736184574 599034323 /nfs/dbraw/zinc/03/43/23/599034323.db2.gz LWWWRABUPYMMOJ-JKSUJKDBSA-N 0 3 399.499 0.872 20 0 GCADHN C[N@H+](CCCO)C1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736799379 599080277 /nfs/dbraw/zinc/08/02/77/599080277.db2.gz CVAAEFBEPKGVDY-UHFFFAOYSA-N 0 3 379.490 0.645 20 0 GCADHN C[N@@H+](CCCO)C1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736799379 599080279 /nfs/dbraw/zinc/08/02/79/599080279.db2.gz CVAAEFBEPKGVDY-UHFFFAOYSA-N 0 3 379.490 0.645 20 0 GCADHN C[N@H+](CCCO)C1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000736799379 599080282 /nfs/dbraw/zinc/08/02/82/599080282.db2.gz CVAAEFBEPKGVDY-UHFFFAOYSA-N 0 3 379.490 0.645 20 0 GCADHN C[N@@H+](CCCO)C1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000736799379 599080285 /nfs/dbraw/zinc/08/02/85/599080285.db2.gz CVAAEFBEPKGVDY-UHFFFAOYSA-N 0 3 379.490 0.645 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000736856753 599083564 /nfs/dbraw/zinc/08/35/64/599083564.db2.gz MXJUFTSDARTGPZ-HNNXBMFYSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000736856753 599083567 /nfs/dbraw/zinc/08/35/67/599083567.db2.gz MXJUFTSDARTGPZ-HNNXBMFYSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736856753 599083570 /nfs/dbraw/zinc/08/35/70/599083570.db2.gz MXJUFTSDARTGPZ-HNNXBMFYSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736856753 599083573 /nfs/dbraw/zinc/08/35/73/599083573.db2.gz MXJUFTSDARTGPZ-HNNXBMFYSA-N 0 3 391.501 0.267 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736769913 599123663 /nfs/dbraw/zinc/12/36/63/599123663.db2.gz WUHVUMUHPWROEJ-UHFFFAOYSA-N 0 3 398.464 0.737 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736769913 599123666 /nfs/dbraw/zinc/12/36/66/599123666.db2.gz WUHVUMUHPWROEJ-UHFFFAOYSA-N 0 3 398.464 0.737 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736800588 599149403 /nfs/dbraw/zinc/14/94/03/599149403.db2.gz NLSAJTICVRLWHZ-UHFFFAOYSA-N 0 3 387.444 0.110 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736800588 599149406 /nfs/dbraw/zinc/14/94/06/599149406.db2.gz NLSAJTICVRLWHZ-UHFFFAOYSA-N 0 3 387.444 0.110 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736800588 599149409 /nfs/dbraw/zinc/14/94/09/599149409.db2.gz NLSAJTICVRLWHZ-UHFFFAOYSA-N 0 3 387.444 0.110 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736800588 599149413 /nfs/dbraw/zinc/14/94/13/599149413.db2.gz NLSAJTICVRLWHZ-UHFFFAOYSA-N 0 3 387.444 0.110 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1-c1nnn[n-]1 ZINC000737091465 599301577 /nfs/dbraw/zinc/30/15/77/599301577.db2.gz CGGQMFZKIMILPT-FZMZJTMJSA-N 0 3 380.474 0.635 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737091465 599301580 /nfs/dbraw/zinc/30/15/80/599301580.db2.gz CGGQMFZKIMILPT-FZMZJTMJSA-N 0 3 380.474 0.635 20 0 GCADHN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000737547994 599202595 /nfs/dbraw/zinc/20/25/95/599202595.db2.gz MZTBHSBKCGTKHI-ZDUSSCGKSA-N 0 3 385.428 0.961 20 0 GCADHN Cc1c(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cccc1-c1nn[n-]n1 ZINC000822044233 607273887 /nfs/dbraw/zinc/27/38/87/607273887.db2.gz JETUGAHGKFZVPT-UHFFFAOYSA-N 0 3 392.423 0.857 20 0 GCADHN Cc1c(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cccc1-c1nnn[n-]1 ZINC000822096611 607283225 /nfs/dbraw/zinc/28/32/25/607283225.db2.gz ORNJJGSARHPVDD-ZDUSSCGKSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1c(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cccc1-c1nnn[n-]1 ZINC000822096611 607283226 /nfs/dbraw/zinc/28/32/26/607283226.db2.gz ORNJJGSARHPVDD-ZDUSSCGKSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1c(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cccc1-c1nn[n-]n1 ZINC000822096611 607283227 /nfs/dbraw/zinc/28/32/27/607283227.db2.gz ORNJJGSARHPVDD-ZDUSSCGKSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1c(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cccc1-c1nn[n-]n1 ZINC000822096611 607283228 /nfs/dbraw/zinc/28/32/28/607283228.db2.gz ORNJJGSARHPVDD-ZDUSSCGKSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1c(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cccc1-c1nnn[n-]1 ZINC000822096610 607283468 /nfs/dbraw/zinc/28/34/68/607283468.db2.gz ORNJJGSARHPVDD-CYBMUJFWSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1c(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cccc1-c1nnn[n-]1 ZINC000822096610 607283469 /nfs/dbraw/zinc/28/34/69/607283469.db2.gz ORNJJGSARHPVDD-CYBMUJFWSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1c(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cccc1-c1nn[n-]n1 ZINC000822096610 607283470 /nfs/dbraw/zinc/28/34/70/607283470.db2.gz ORNJJGSARHPVDD-CYBMUJFWSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1c(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cccc1-c1nn[n-]n1 ZINC000822096610 607283471 /nfs/dbraw/zinc/28/34/71/607283471.db2.gz ORNJJGSARHPVDD-CYBMUJFWSA-N 0 3 386.460 0.884 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000820542267 607297908 /nfs/dbraw/zinc/29/79/08/607297908.db2.gz MXQPQXQHQODSLY-HUUCEWRRSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000820542267 607297909 /nfs/dbraw/zinc/29/79/09/607297909.db2.gz MXQPQXQHQODSLY-HUUCEWRRSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000820542267 607297910 /nfs/dbraw/zinc/29/79/10/607297910.db2.gz MXQPQXQHQODSLY-HUUCEWRRSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000820542267 607297911 /nfs/dbraw/zinc/29/79/11/607297911.db2.gz MXQPQXQHQODSLY-HUUCEWRRSA-N 0 3 388.472 0.987 20 0 GCADHN CN(C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000736769337 599280807 /nfs/dbraw/zinc/28/08/07/599280807.db2.gz ORVANLXQMQRSCW-UHFFFAOYSA-N 0 3 396.411 0.670 20 0 GCADHN CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736322805 599282545 /nfs/dbraw/zinc/28/25/45/599282545.db2.gz OZXQDIHSJGDATI-LLVKDONJSA-N 0 3 375.433 0.660 20 0 GCADHN CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736322805 599282547 /nfs/dbraw/zinc/28/25/47/599282547.db2.gz OZXQDIHSJGDATI-LLVKDONJSA-N 0 3 375.433 0.660 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[NH+](CC)CC ZINC000736633806 599280565 /nfs/dbraw/zinc/28/05/65/599280565.db2.gz CYWPVKTXTZLUPG-UHFFFAOYSA-N 0 3 375.433 0.662 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000737056341 599284218 /nfs/dbraw/zinc/28/42/18/599284218.db2.gz CXFYFZKAXCSUFO-UHFFFAOYSA-N 0 3 387.444 0.804 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000737056341 599284219 /nfs/dbraw/zinc/28/42/19/599284219.db2.gz CXFYFZKAXCSUFO-UHFFFAOYSA-N 0 3 387.444 0.804 20 0 GCADHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820128980 607335178 /nfs/dbraw/zinc/33/51/78/607335178.db2.gz UAOVMHTTXAFMRF-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820128980 607335180 /nfs/dbraw/zinc/33/51/80/607335180.db2.gz UAOVMHTTXAFMRF-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820128980 607335182 /nfs/dbraw/zinc/33/51/82/607335182.db2.gz UAOVMHTTXAFMRF-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820128980 607335183 /nfs/dbraw/zinc/33/51/83/607335183.db2.gz UAOVMHTTXAFMRF-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821255091 607340592 /nfs/dbraw/zinc/34/05/92/607340592.db2.gz UFGQJYDDKJLVFE-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821255091 607340594 /nfs/dbraw/zinc/34/05/94/607340594.db2.gz UFGQJYDDKJLVFE-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3F)CC[C@H]21 ZINC000821625844 607344615 /nfs/dbraw/zinc/34/46/15/607344615.db2.gz WVTLJHPNVQWMDN-IUODEOHRSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3F)CC[C@H]21 ZINC000821625844 607344617 /nfs/dbraw/zinc/34/46/17/607344617.db2.gz WVTLJHPNVQWMDN-IUODEOHRSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3F)CC[C@H]21 ZINC000821625844 607344619 /nfs/dbraw/zinc/34/46/19/607344619.db2.gz WVTLJHPNVQWMDN-IUODEOHRSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3F)CC[C@H]21 ZINC000821625844 607344621 /nfs/dbraw/zinc/34/46/21/607344621.db2.gz WVTLJHPNVQWMDN-IUODEOHRSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+](CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC000736801441 598258074 /nfs/dbraw/zinc/25/80/74/598258074.db2.gz VGVSHEUVMKFNGV-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[N@@H+](CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC000736801441 598258076 /nfs/dbraw/zinc/25/80/76/598258076.db2.gz VGVSHEUVMKFNGV-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[N@H+](CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC000736801441 598258077 /nfs/dbraw/zinc/25/80/77/598258077.db2.gz VGVSHEUVMKFNGV-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[N@@H+](CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC000736801441 598258078 /nfs/dbraw/zinc/25/80/78/598258078.db2.gz VGVSHEUVMKFNGV-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[NH+](C)C1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736757092 598258578 /nfs/dbraw/zinc/25/85/78/598258578.db2.gz OITHSKGIBMVPKA-UHFFFAOYSA-N 0 3 381.444 0.801 20 0 GCADHN C[NH+](C)C1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000736757092 598258579 /nfs/dbraw/zinc/25/85/79/598258579.db2.gz OITHSKGIBMVPKA-UHFFFAOYSA-N 0 3 381.444 0.801 20 0 GCADHN CC[NH+]1CCC(CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC1 ZINC000736565615 598303363 /nfs/dbraw/zinc/30/33/63/598303363.db2.gz MNFXLYXVOPAWHC-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN CC[NH+]1CCC(CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC1 ZINC000736565615 598303365 /nfs/dbraw/zinc/30/33/65/598303365.db2.gz MNFXLYXVOPAWHC-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736705427 598348850 /nfs/dbraw/zinc/34/88/50/598348850.db2.gz JAYCWZCMSNVQKG-KBPBESRZSA-N 0 3 384.444 0.365 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736144610 598349360 /nfs/dbraw/zinc/34/93/60/598349360.db2.gz PLBJYSAAJQSYEA-YOEHRIQHSA-N 0 3 390.488 0.383 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736144610 598349362 /nfs/dbraw/zinc/34/93/62/598349362.db2.gz PLBJYSAAJQSYEA-YOEHRIQHSA-N 0 3 390.488 0.383 20 0 GCADHN C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000736289626 598352482 /nfs/dbraw/zinc/35/24/82/598352482.db2.gz WJARVRPQXLBXAT-YOEHRIQHSA-N 0 3 389.479 0.843 20 0 GCADHN CN1CCN(C[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)CCO2)CC1 ZINC000736863574 598353069 /nfs/dbraw/zinc/35/30/69/598353069.db2.gz LYJADFSHMUCOPS-INIZCTEOSA-N 0 3 375.452 0.454 20 0 GCADHN COC(=O)[C@@H](C)C[N@H+](C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736895590 598372296 /nfs/dbraw/zinc/37/22/96/598372296.db2.gz YPFQBXFNVBCMEW-WFASDCNBSA-N 0 3 375.429 0.880 20 0 GCADHN COC(=O)[C@@H](C)C[N@@H+](C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736895590 598372298 /nfs/dbraw/zinc/37/22/98/598372298.db2.gz YPFQBXFNVBCMEW-WFASDCNBSA-N 0 3 375.429 0.880 20 0 GCADHN O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000738178122 598376081 /nfs/dbraw/zinc/37/60/81/598376081.db2.gz PNFKLJSILFMTIJ-QGZVFWFLSA-N 0 3 396.455 0.775 20 0 GCADHN C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736756447 598376231 /nfs/dbraw/zinc/37/62/31/598376231.db2.gz IOSZRXJHAJGUPP-AWEZNQCLSA-N 0 3 381.444 0.801 20 0 GCADHN C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736756447 598376233 /nfs/dbraw/zinc/37/62/33/598376233.db2.gz IOSZRXJHAJGUPP-AWEZNQCLSA-N 0 3 381.444 0.801 20 0 GCADHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736264213 598404361 /nfs/dbraw/zinc/40/43/61/598404361.db2.gz CIWWCANYBIBCNH-KBPBESRZSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736264213 598404363 /nfs/dbraw/zinc/40/43/63/598404363.db2.gz CIWWCANYBIBCNH-KBPBESRZSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736264213 598404365 /nfs/dbraw/zinc/40/43/65/598404365.db2.gz CIWWCANYBIBCNH-KBPBESRZSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736264213 598404367 /nfs/dbraw/zinc/40/43/67/598404367.db2.gz CIWWCANYBIBCNH-KBPBESRZSA-N 0 3 385.472 0.833 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000736860547 598425814 /nfs/dbraw/zinc/42/58/14/598425814.db2.gz SMBHVVSGFNBAQG-MRXNPFEDSA-N 0 3 399.499 0.874 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000736860547 598425815 /nfs/dbraw/zinc/42/58/15/598425815.db2.gz SMBHVVSGFNBAQG-MRXNPFEDSA-N 0 3 399.499 0.874 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000736860547 598425816 /nfs/dbraw/zinc/42/58/16/598425816.db2.gz SMBHVVSGFNBAQG-MRXNPFEDSA-N 0 3 399.499 0.874 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000736860547 598425817 /nfs/dbraw/zinc/42/58/17/598425817.db2.gz SMBHVVSGFNBAQG-MRXNPFEDSA-N 0 3 399.499 0.874 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000737776415 598435145 /nfs/dbraw/zinc/43/51/45/598435145.db2.gz MRYRJWRJCGDLFS-HIFRSBDPSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000737776415 598435148 /nfs/dbraw/zinc/43/51/48/598435148.db2.gz MRYRJWRJCGDLFS-HIFRSBDPSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000737776415 598435149 /nfs/dbraw/zinc/43/51/49/598435149.db2.gz MRYRJWRJCGDLFS-HIFRSBDPSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000737776415 598435151 /nfs/dbraw/zinc/43/51/51/598435151.db2.gz MRYRJWRJCGDLFS-HIFRSBDPSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000737778089 598435722 /nfs/dbraw/zinc/43/57/22/598435722.db2.gz WOKGLNSSVRYXMQ-UHFFFAOYSA-N 0 3 381.444 0.850 20 0 GCADHN C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736769076 598443780 /nfs/dbraw/zinc/44/37/80/598443780.db2.gz OHVVOSJNVWVQGH-UHFFFAOYSA-N 0 3 380.412 0.805 20 0 GCADHN C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736769076 598443782 /nfs/dbraw/zinc/44/37/82/598443782.db2.gz OHVVOSJNVWVQGH-UHFFFAOYSA-N 0 3 380.412 0.805 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738036965 598474042 /nfs/dbraw/zinc/47/40/42/598474042.db2.gz BHUXHWQOPCRUNO-MRXNPFEDSA-N 0 3 383.456 0.683 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738036965 598474044 /nfs/dbraw/zinc/47/40/44/598474044.db2.gz BHUXHWQOPCRUNO-MRXNPFEDSA-N 0 3 383.456 0.683 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736858830 598497597 /nfs/dbraw/zinc/49/75/97/598497597.db2.gz UYJNFYWQDRGQLV-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736858830 598497599 /nfs/dbraw/zinc/49/75/99/598497599.db2.gz UYJNFYWQDRGQLV-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736858830 598497603 /nfs/dbraw/zinc/49/76/03/598497603.db2.gz UYJNFYWQDRGQLV-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736858830 598497604 /nfs/dbraw/zinc/49/76/04/598497604.db2.gz UYJNFYWQDRGQLV-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000737776399 598497864 /nfs/dbraw/zinc/49/78/64/598497864.db2.gz LWPHLWFETLNSAC-CQSZACIVSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000737776399 598497866 /nfs/dbraw/zinc/49/78/66/598497866.db2.gz LWPHLWFETLNSAC-CQSZACIVSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000737776399 598497868 /nfs/dbraw/zinc/49/78/68/598497868.db2.gz LWPHLWFETLNSAC-CQSZACIVSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000737776399 598497869 /nfs/dbraw/zinc/49/78/69/598497869.db2.gz LWPHLWFETLNSAC-CQSZACIVSA-N 0 3 393.455 0.849 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736144135 598510546 /nfs/dbraw/zinc/51/05/46/598510546.db2.gz OAHPFURQTNGHOJ-CYBMUJFWSA-N 0 3 394.501 0.474 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736144135 598510548 /nfs/dbraw/zinc/51/05/48/598510548.db2.gz OAHPFURQTNGHOJ-CYBMUJFWSA-N 0 3 394.501 0.474 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736144135 598510550 /nfs/dbraw/zinc/51/05/50/598510550.db2.gz OAHPFURQTNGHOJ-CYBMUJFWSA-N 0 3 394.501 0.474 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736144135 598510552 /nfs/dbraw/zinc/51/05/52/598510552.db2.gz OAHPFURQTNGHOJ-CYBMUJFWSA-N 0 3 394.501 0.474 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736858159 598514761 /nfs/dbraw/zinc/51/47/61/598514761.db2.gz QFQIIFZQSVBLFA-CQSZACIVSA-N 0 3 399.503 0.872 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736858159 598514764 /nfs/dbraw/zinc/51/47/64/598514764.db2.gz QFQIIFZQSVBLFA-CQSZACIVSA-N 0 3 399.503 0.872 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736858159 598514766 /nfs/dbraw/zinc/51/47/66/598514766.db2.gz QFQIIFZQSVBLFA-CQSZACIVSA-N 0 3 399.503 0.872 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736858159 598514770 /nfs/dbraw/zinc/51/47/70/598514770.db2.gz QFQIIFZQSVBLFA-CQSZACIVSA-N 0 3 399.503 0.872 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@H]1CCN(Cc3ccccc3)C1)C2 ZINC000738432798 598517392 /nfs/dbraw/zinc/51/73/92/598517392.db2.gz MEHISPVXNHQEHO-HOTGVXAUSA-N 0 3 379.472 0.969 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@H]1CCN(Cc3ccccc3)C1)C2 ZINC000738432798 598517394 /nfs/dbraw/zinc/51/73/94/598517394.db2.gz MEHISPVXNHQEHO-HOTGVXAUSA-N 0 3 379.472 0.969 20 0 GCADHN CN(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Cc1ccccc1 ZINC000736760967 598517624 /nfs/dbraw/zinc/51/76/24/598517624.db2.gz RYCLIGUTUFOOGG-JKSUJKDBSA-N 0 3 381.488 0.867 20 0 GCADHN CN(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Cc1ccccc1 ZINC000736760967 598517627 /nfs/dbraw/zinc/51/76/27/598517627.db2.gz RYCLIGUTUFOOGG-JKSUJKDBSA-N 0 3 381.488 0.867 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CCc1ccc3c(c1)OCCO3)C2 ZINC000738420292 598519432 /nfs/dbraw/zinc/51/94/32/598519432.db2.gz CMHYRROIMJLQNF-ZDUSSCGKSA-N 0 3 382.428 0.708 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CCc1ccc3c(c1)OCCO3)C2 ZINC000738420292 598519433 /nfs/dbraw/zinc/51/94/33/598519433.db2.gz CMHYRROIMJLQNF-ZDUSSCGKSA-N 0 3 382.428 0.708 20 0 GCADHN CNC(=O)COc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736875485 598523221 /nfs/dbraw/zinc/52/32/21/598523221.db2.gz XTDKJOFJZDQQIL-ZDUSSCGKSA-N 0 3 397.443 0.020 20 0 GCADHN CNC(=O)COc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736875485 598523223 /nfs/dbraw/zinc/52/32/23/598523223.db2.gz XTDKJOFJZDQQIL-ZDUSSCGKSA-N 0 3 397.443 0.020 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@@H]1CCCN(c3ncccn3)C1)C2 ZINC000738446337 598523569 /nfs/dbraw/zinc/52/35/69/598523569.db2.gz WEVIJFQJPZBSPT-QWHCGFSZSA-N 0 3 381.448 0.154 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@@H]1CCCN(c3ncccn3)C1)C2 ZINC000738446337 598523571 /nfs/dbraw/zinc/52/35/71/598523571.db2.gz WEVIJFQJPZBSPT-QWHCGFSZSA-N 0 3 381.448 0.154 20 0 GCADHN O=C1OCCN1c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000738319425 598524950 /nfs/dbraw/zinc/52/49/50/598524950.db2.gz PVTGHYDIWMYKBN-CYBMUJFWSA-N 0 3 395.427 0.851 20 0 GCADHN O=C1OCCN1c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000738319425 598524952 /nfs/dbraw/zinc/52/49/52/598524952.db2.gz PVTGHYDIWMYKBN-CYBMUJFWSA-N 0 3 395.427 0.851 20 0 GCADHN OC[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Cc1ccc(F)cc1 ZINC000738388841 598525821 /nfs/dbraw/zinc/52/58/21/598525821.db2.gz HGNMTDXYOXMYOD-KGLIPLIRSA-N 0 3 386.435 0.685 20 0 GCADHN OC[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Cc1ccc(F)cc1 ZINC000738388841 598525822 /nfs/dbraw/zinc/52/58/22/598525822.db2.gz HGNMTDXYOXMYOD-KGLIPLIRSA-N 0 3 386.435 0.685 20 0 GCADHN CCOc1ccc(NC(=O)C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736647815 598526076 /nfs/dbraw/zinc/52/60/76/598526076.db2.gz UHQGYQHLEJBADP-LBPRGKRZSA-N 0 3 397.443 0.732 20 0 GCADHN Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737400948 598526458 /nfs/dbraw/zinc/52/64/58/598526458.db2.gz HQSXSOSLRCTWNQ-KBPBESRZSA-N 0 3 384.444 0.443 20 0 GCADHN Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737400948 598526459 /nfs/dbraw/zinc/52/64/59/598526459.db2.gz HQSXSOSLRCTWNQ-KBPBESRZSA-N 0 3 384.444 0.443 20 0 GCADHN O=C(C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCCc2ccccc21 ZINC000737894725 598527052 /nfs/dbraw/zinc/52/70/52/598527052.db2.gz JKNXVKFLLFSUIB-ZDUSSCGKSA-N 0 3 393.455 0.674 20 0 GCADHN C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc2c(c1)CC(=O)N2C ZINC000736137446 598529195 /nfs/dbraw/zinc/52/91/95/598529195.db2.gz XNLUWKWNMTYNAK-NEPJUHHUSA-N 0 3 393.455 0.975 20 0 GCADHN C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc2c(c1)CC(=O)N2C ZINC000736137446 598529196 /nfs/dbraw/zinc/52/91/96/598529196.db2.gz XNLUWKWNMTYNAK-NEPJUHHUSA-N 0 3 393.455 0.975 20 0 GCADHN CCN(CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)OC(C)(C)C ZINC000736536204 598529373 /nfs/dbraw/zinc/52/93/73/598529373.db2.gz FFXCYXWQIADOIJ-GFCCVEGCSA-N 0 3 391.480 0.952 20 0 GCADHN CCN(CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(=O)OC(C)(C)C ZINC000736536204 598529374 /nfs/dbraw/zinc/52/93/74/598529374.db2.gz FFXCYXWQIADOIJ-GFCCVEGCSA-N 0 3 391.480 0.952 20 0 GCADHN COc1cccc(N2CC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)c1 ZINC000737137134 598529886 /nfs/dbraw/zinc/52/98/86/598529886.db2.gz AALKFLFFHUJLPR-ZIAGYGMSSA-N 0 3 395.471 0.982 20 0 GCADHN COc1cccc(N2CC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)c1 ZINC000737137134 598529888 /nfs/dbraw/zinc/52/98/88/598529888.db2.gz AALKFLFFHUJLPR-ZIAGYGMSSA-N 0 3 395.471 0.982 20 0 GCADHN C[C@H](CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NC(=O)OC(C)(C)C ZINC000735987924 598530424 /nfs/dbraw/zinc/53/04/24/598530424.db2.gz YPFVGJABWDPOEC-VXGBXAGGSA-N 0 3 391.480 0.998 20 0 GCADHN C[C@H](CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)NC(=O)OC(C)(C)C ZINC000735987924 598530426 /nfs/dbraw/zinc/53/04/26/598530426.db2.gz YPFVGJABWDPOEC-VXGBXAGGSA-N 0 3 391.480 0.998 20 0 GCADHN CCOC(=O)N[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)CC(C)C ZINC000736600187 598531648 /nfs/dbraw/zinc/53/16/48/598531648.db2.gz KQWMSYVLENRFNO-QWHCGFSZSA-N 0 3 391.480 0.855 20 0 GCADHN CCOC(=O)N[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)CC(C)C ZINC000736600187 598531650 /nfs/dbraw/zinc/53/16/50/598531650.db2.gz KQWMSYVLENRFNO-QWHCGFSZSA-N 0 3 391.480 0.855 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CC1(N3CCCC3)CCOCC1)C2 ZINC000738449036 598531737 /nfs/dbraw/zinc/53/17/37/598531737.db2.gz DBOPKNDXTDXKAG-AWEZNQCLSA-N 0 3 387.492 0.340 20 0 GCADHN CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736745892 598567967 /nfs/dbraw/zinc/56/79/67/598567967.db2.gz JQJNCSXNSKHZKC-ZBFHGGJFSA-N 0 3 395.471 0.394 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000736744537 598569700 /nfs/dbraw/zinc/56/97/00/598569700.db2.gz AIWDRJXUVUWDFN-UHFFFAOYSA-N 0 3 377.474 0.601 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000736744537 598569701 /nfs/dbraw/zinc/56/97/01/598569701.db2.gz AIWDRJXUVUWDFN-UHFFFAOYSA-N 0 3 377.474 0.601 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1c1ccccc1 ZINC000738294272 598596632 /nfs/dbraw/zinc/59/66/32/598596632.db2.gz BFHQYYFCTWZJTR-WFASDCNBSA-N 0 3 379.428 0.500 20 0 GCADHN Cc1nnc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737523413 598702808 /nfs/dbraw/zinc/70/28/08/598702808.db2.gz XHXYKWNJNRUAKY-OAHLLOKOSA-N 0 3 387.492 0.482 20 0 GCADHN Cc1nnc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737523413 598702809 /nfs/dbraw/zinc/70/28/09/598702809.db2.gz XHXYKWNJNRUAKY-OAHLLOKOSA-N 0 3 387.492 0.482 20 0 GCADHN CN(C)S(=O)(=O)CCCN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736770614 598780825 /nfs/dbraw/zinc/78/08/25/598780825.db2.gz BSIGBZPYRDCPAZ-UHFFFAOYSA-N 0 3 394.501 0.991 20 0 GCADHN O=C(CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737843284 598781729 /nfs/dbraw/zinc/78/17/29/598781729.db2.gz KBGOFDRSQPWKHT-KGLIPLIRSA-N 0 3 391.501 0.788 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000737057956 598785421 /nfs/dbraw/zinc/78/54/21/598785421.db2.gz VLALJFPIDMANEB-UHFFFAOYSA-N 0 3 387.444 0.614 20 0 GCADHN CC(C)[C@@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cc1)N1CCN(C)CC1 ZINC000735708202 598811263 /nfs/dbraw/zinc/81/12/63/598811263.db2.gz LGBUUDQPJFJNAL-QGZVFWFLSA-N 0 3 386.504 0.667 20 0 GCADHN CC(C)[C@H](CNC(=O)CNc1ccc(-c2nn[nH]n2)cc1)N1CCN(C)CC1 ZINC000735708201 598811323 /nfs/dbraw/zinc/81/13/23/598811323.db2.gz LGBUUDQPJFJNAL-KRWDZBQOSA-N 0 3 386.504 0.667 20 0 GCADHN CC[NH+]1CCC(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736570934 598815655 /nfs/dbraw/zinc/81/56/55/598815655.db2.gz NLWVCSZXZDNDSR-UHFFFAOYSA-N 0 3 381.444 0.849 20 0 GCADHN CC[NH+]1CCC(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000736570934 598815656 /nfs/dbraw/zinc/81/56/56/598815656.db2.gz NLWVCSZXZDNDSR-UHFFFAOYSA-N 0 3 381.444 0.849 20 0 GCADHN COCC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000737006326 599293502 /nfs/dbraw/zinc/29/35/02/599293502.db2.gz FZKLVEQQVDGDJH-UHFFFAOYSA-N 0 3 381.462 0.037 20 0 GCADHN COCC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000737006326 599293504 /nfs/dbraw/zinc/29/35/04/599293504.db2.gz FZKLVEQQVDGDJH-UHFFFAOYSA-N 0 3 381.462 0.037 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(F)cc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000735465766 599298203 /nfs/dbraw/zinc/29/82/03/599298203.db2.gz NARVUZPVPDVLHT-UGSOOPFHSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(F)cc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000735465766 599298205 /nfs/dbraw/zinc/29/82/05/599298205.db2.gz NARVUZPVPDVLHT-UGSOOPFHSA-N 0 3 387.463 0.990 20 0 GCADHN O=C(CC[N@@H+]1CC[C@@H](N2CCOCC2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737839875 599299253 /nfs/dbraw/zinc/29/92/53/599299253.db2.gz WCMFNCWQKSPPCX-GFCCVEGCSA-N 0 3 377.474 0.663 20 0 GCADHN O=C(CC[N@H+]1CC[C@@H](N2CCOCC2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737839875 599299255 /nfs/dbraw/zinc/29/92/55/599299255.db2.gz WCMFNCWQKSPPCX-GFCCVEGCSA-N 0 3 377.474 0.663 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000736856762 599359610 /nfs/dbraw/zinc/35/96/10/599359610.db2.gz MYNJPPHOIYWAPH-SNVBAGLBSA-N 0 3 377.836 0.917 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000736856762 599359612 /nfs/dbraw/zinc/35/96/12/599359612.db2.gz MYNJPPHOIYWAPH-SNVBAGLBSA-N 0 3 377.836 0.917 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000736856762 599359615 /nfs/dbraw/zinc/35/96/15/599359615.db2.gz MYNJPPHOIYWAPH-SNVBAGLBSA-N 0 3 377.836 0.917 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000736856762 599359618 /nfs/dbraw/zinc/35/96/18/599359618.db2.gz MYNJPPHOIYWAPH-SNVBAGLBSA-N 0 3 377.836 0.917 20 0 GCADHN O=C(COc1cccc(-c2nnn[n-]2)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737925057 599391596 /nfs/dbraw/zinc/39/15/96/599391596.db2.gz NJDABMHIGVUQHB-CQSZACIVSA-N 0 3 386.456 0.863 20 0 GCADHN O=C(COc1cccc(-c2nn[n-]n2)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737925057 599391600 /nfs/dbraw/zinc/39/16/00/599391600.db2.gz NJDABMHIGVUQHB-CQSZACIVSA-N 0 3 386.456 0.863 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000823162431 599413748 /nfs/dbraw/zinc/41/37/48/599413748.db2.gz WCIOXDYQNVFNMM-UHFFFAOYSA-N 0 3 397.483 0.931 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000823162431 599413752 /nfs/dbraw/zinc/41/37/52/599413752.db2.gz WCIOXDYQNVFNMM-UHFFFAOYSA-N 0 3 397.483 0.931 20 0 GCADHN COc1ccc(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cc1-c1nnn[n-]1 ZINC000821813461 599422377 /nfs/dbraw/zinc/42/23/77/599422377.db2.gz HTCRJNNSNGZZFK-INIZCTEOSA-N 0 3 387.488 0.908 20 0 GCADHN C[NH+](C)C[C@](C)(O)CNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825854944 607781759 /nfs/dbraw/zinc/78/17/59/607781759.db2.gz FHYHMBGHNHSVDL-QGZVFWFLSA-N 0 3 393.517 0.712 20 0 GCADHN C[NH+](C)C[C@](C)(O)CNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825854944 607781760 /nfs/dbraw/zinc/78/17/60/607781760.db2.gz FHYHMBGHNHSVDL-QGZVFWFLSA-N 0 3 393.517 0.712 20 0 GCADHN COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821691486 599444055 /nfs/dbraw/zinc/44/40/55/599444055.db2.gz WFDFMQABIADNNU-AWEZNQCLSA-N 0 3 377.424 0.916 20 0 GCADHN COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821691486 599444056 /nfs/dbraw/zinc/44/40/56/599444056.db2.gz WFDFMQABIADNNU-AWEZNQCLSA-N 0 3 377.424 0.916 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000736635431 599511425 /nfs/dbraw/zinc/51/14/25/599511425.db2.gz NIRCSJVMMXBCQM-UHFFFAOYSA-N 0 3 396.411 0.249 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738052702 599514936 /nfs/dbraw/zinc/51/49/36/599514936.db2.gz COWYINAAZVMTBF-HNNXBMFYSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738052702 599514938 /nfs/dbraw/zinc/51/49/38/599514938.db2.gz COWYINAAZVMTBF-HNNXBMFYSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738052702 599514940 /nfs/dbraw/zinc/51/49/40/599514940.db2.gz COWYINAAZVMTBF-HNNXBMFYSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738052702 599514941 /nfs/dbraw/zinc/51/49/41/599514941.db2.gz COWYINAAZVMTBF-HNNXBMFYSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738055249 599515105 /nfs/dbraw/zinc/51/51/05/599515105.db2.gz WVHFRHWKMLGJPG-OAHLLOKOSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738055249 599515107 /nfs/dbraw/zinc/51/51/07/599515107.db2.gz WVHFRHWKMLGJPG-OAHLLOKOSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738055249 599515108 /nfs/dbraw/zinc/51/51/08/599515108.db2.gz WVHFRHWKMLGJPG-OAHLLOKOSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738055249 599515110 /nfs/dbraw/zinc/51/51/10/599515110.db2.gz WVHFRHWKMLGJPG-OAHLLOKOSA-N 0 3 387.444 0.158 20 0 GCADHN C[NH+](C)[C@@H]1CCCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736755996 599577612 /nfs/dbraw/zinc/57/76/12/599577612.db2.gz FNZOBWMBVHAIBG-MRXNPFEDSA-N 0 3 398.471 0.614 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000821400580 599610045 /nfs/dbraw/zinc/61/00/45/599610045.db2.gz LVCFLJVCVKGUSS-AAEUAGOBSA-N 0 3 387.444 0.803 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000821400580 599610046 /nfs/dbraw/zinc/61/00/46/599610046.db2.gz LVCFLJVCVKGUSS-AAEUAGOBSA-N 0 3 387.444 0.803 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820995704 599673531 /nfs/dbraw/zinc/67/35/31/599673531.db2.gz WIFCMKWMSRPHED-KGLIPLIRSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820995704 599673532 /nfs/dbraw/zinc/67/35/32/599673532.db2.gz WIFCMKWMSRPHED-KGLIPLIRSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820995704 599673533 /nfs/dbraw/zinc/67/35/33/599673533.db2.gz WIFCMKWMSRPHED-KGLIPLIRSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820995704 599673534 /nfs/dbraw/zinc/67/35/34/599673534.db2.gz WIFCMKWMSRPHED-KGLIPLIRSA-N 0 3 385.476 0.942 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc1-c1nnn[n-]1 ZINC000820154861 607434263 /nfs/dbraw/zinc/43/42/63/607434263.db2.gz ANWSJVMVGJWANT-LLVKDONJSA-N 0 3 375.433 0.659 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc1-c1nn[n-]n1 ZINC000820154861 607434264 /nfs/dbraw/zinc/43/42/64/607434264.db2.gz ANWSJVMVGJWANT-LLVKDONJSA-N 0 3 375.433 0.659 20 0 GCADHN Cc1nc(CN2CCC[N@H+](C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)CC2)no1 ZINC000822440299 607442805 /nfs/dbraw/zinc/44/28/05/607442805.db2.gz LNCPZTWVHOQTFP-ZDUSSCGKSA-N 0 3 399.463 0.004 20 0 GCADHN Cc1nc(CN2CCC[N@@H+](C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)CC2)no1 ZINC000822440299 607442806 /nfs/dbraw/zinc/44/28/06/607442806.db2.gz LNCPZTWVHOQTFP-ZDUSSCGKSA-N 0 3 399.463 0.004 20 0 GCADHN Cc1nc(CN2CCC[N@H+](C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)CC2)no1 ZINC000822440299 607442807 /nfs/dbraw/zinc/44/28/07/607442807.db2.gz LNCPZTWVHOQTFP-ZDUSSCGKSA-N 0 3 399.463 0.004 20 0 GCADHN Cc1nc(CN2CCC[N@@H+](C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)CC2)no1 ZINC000822440299 607442808 /nfs/dbraw/zinc/44/28/08/607442808.db2.gz LNCPZTWVHOQTFP-ZDUSSCGKSA-N 0 3 399.463 0.004 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825848445 607524658 /nfs/dbraw/zinc/52/46/58/607524658.db2.gz CTLVKWPJJMYPLS-IXDOHACOSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825848445 607524659 /nfs/dbraw/zinc/52/46/59/607524659.db2.gz CTLVKWPJJMYPLS-IXDOHACOSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825851193 607525459 /nfs/dbraw/zinc/52/54/59/607525459.db2.gz UWMSOVPLWMDBIB-IXDOHACOSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825851193 607525461 /nfs/dbraw/zinc/52/54/61/607525461.db2.gz UWMSOVPLWMDBIB-IXDOHACOSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825849391 607525507 /nfs/dbraw/zinc/52/55/07/607525507.db2.gz LDEQXRPZXUIUMR-FGTMMUONSA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825849391 607525509 /nfs/dbraw/zinc/52/55/09/607525509.db2.gz LDEQXRPZXUIUMR-FGTMMUONSA-N 0 3 399.499 0.666 20 0 GCADHN COC(=O)[C@H](O)C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826111473 607525636 /nfs/dbraw/zinc/52/56/36/607525636.db2.gz FZADABPXUFIONX-MRXNPFEDSA-N 0 3 388.428 0.441 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825856171 607556283 /nfs/dbraw/zinc/55/62/83/607556283.db2.gz QDXPNNSMMCQBQY-YUELXQCFSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825856171 607556284 /nfs/dbraw/zinc/55/62/84/607556284.db2.gz QDXPNNSMMCQBQY-YUELXQCFSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000825850314 607615039 /nfs/dbraw/zinc/61/50/39/607615039.db2.gz OWAWAIDPTJLXIS-PVAVHDDUSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000825850314 607615040 /nfs/dbraw/zinc/61/50/40/607615040.db2.gz OWAWAIDPTJLXIS-PVAVHDDUSA-N 0 3 386.456 0.956 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000826279901 607633755 /nfs/dbraw/zinc/63/37/55/607633755.db2.gz GTGNANVGWHXUQV-OAHLLOKOSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000826279901 607633756 /nfs/dbraw/zinc/63/37/56/607633756.db2.gz GTGNANVGWHXUQV-OAHLLOKOSA-N 0 3 394.501 0.690 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000825923546 607637728 /nfs/dbraw/zinc/63/77/28/607637728.db2.gz LTNXXKSTKZFUCN-UHFFFAOYSA-N 0 3 398.464 0.473 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000825923546 607637729 /nfs/dbraw/zinc/63/77/29/607637729.db2.gz LTNXXKSTKZFUCN-UHFFFAOYSA-N 0 3 398.464 0.473 20 0 GCADHN C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825856429 607662807 /nfs/dbraw/zinc/66/28/07/607662807.db2.gz WBKUMHUMTZYSFO-UHFFFAOYSA-N 0 3 397.480 0.310 20 0 GCADHN Cc1cccc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)c1-c1nnn[n-]1 ZINC000826303379 607663190 /nfs/dbraw/zinc/66/31/90/607663190.db2.gz MHPAFWYYLPZUJA-UHFFFAOYSA-N 0 3 393.517 0.479 20 0 GCADHN Cc1cccc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)c1-c1nn[n-]n1 ZINC000826303379 607663191 /nfs/dbraw/zinc/66/31/91/607663191.db2.gz MHPAFWYYLPZUJA-UHFFFAOYSA-N 0 3 393.517 0.479 20 0 GCADHN O=C(COc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000826417856 607753170 /nfs/dbraw/zinc/75/31/70/607753170.db2.gz IVBBGOJYCSKISB-QGZVFWFLSA-N 0 3 386.456 0.959 20 0 GCADHN NC(=O)NC1CC[NH+](CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000822873492 606090093 /nfs/dbraw/zinc/09/00/93/606090093.db2.gz CJQAHWMTJNFSAE-UHFFFAOYSA-N 0 3 392.851 0.981 20 0 GCADHN NC(=O)NC1CC[NH+](CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000822873492 606090096 /nfs/dbraw/zinc/09/00/96/606090096.db2.gz CJQAHWMTJNFSAE-UHFFFAOYSA-N 0 3 392.851 0.981 20 0 GCADHN C[C@@]1(C2CC[NH+](CCOc3ccccc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820612897 606096598 /nfs/dbraw/zinc/09/65/98/606096598.db2.gz MTPSHWGBBMCUEW-SFHVURJKSA-N 0 3 385.428 0.556 20 0 GCADHN C[C@@]1(C2CC[NH+](CCOc3ccccc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820612897 606096600 /nfs/dbraw/zinc/09/66/00/606096600.db2.gz MTPSHWGBBMCUEW-SFHVURJKSA-N 0 3 385.428 0.556 20 0 GCADHN C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821596125 606118003 /nfs/dbraw/zinc/11/80/03/606118003.db2.gz AFIOZDHGKNZIBS-AWEZNQCLSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821596125 606118005 /nfs/dbraw/zinc/11/80/05/606118005.db2.gz AFIOZDHGKNZIBS-AWEZNQCLSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821596125 606118007 /nfs/dbraw/zinc/11/80/07/606118007.db2.gz AFIOZDHGKNZIBS-AWEZNQCLSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821596125 606118008 /nfs/dbraw/zinc/11/80/08/606118008.db2.gz AFIOZDHGKNZIBS-AWEZNQCLSA-N 0 3 383.456 0.996 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821587168 606143502 /nfs/dbraw/zinc/14/35/02/606143502.db2.gz KAYDZJRHGJACCI-UHFFFAOYSA-N 0 3 394.501 0.739 20 0 GCADHN C[N@H+](CCO)C1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821602889 606320202 /nfs/dbraw/zinc/32/02/02/606320202.db2.gz ZTCXRMJIJSHLFA-CQSZACIVSA-N 0 3 391.501 0.422 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821602889 606320203 /nfs/dbraw/zinc/32/02/03/606320203.db2.gz ZTCXRMJIJSHLFA-CQSZACIVSA-N 0 3 391.501 0.422 20 0 GCADHN C[N@H+](CCO)C1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821602889 606320204 /nfs/dbraw/zinc/32/02/04/606320204.db2.gz ZTCXRMJIJSHLFA-CQSZACIVSA-N 0 3 391.501 0.422 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821602889 606320205 /nfs/dbraw/zinc/32/02/05/606320205.db2.gz ZTCXRMJIJSHLFA-CQSZACIVSA-N 0 3 391.501 0.422 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000821652682 606333154 /nfs/dbraw/zinc/33/31/54/606333154.db2.gz XVQUQEXMCIGFDJ-YOEHRIQHSA-N 0 3 386.456 0.735 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820760341 606333556 /nfs/dbraw/zinc/33/35/56/606333556.db2.gz QDHLQSBKGATJEM-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820760341 606333557 /nfs/dbraw/zinc/33/35/57/606333557.db2.gz QDHLQSBKGATJEM-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000820760341 606333558 /nfs/dbraw/zinc/33/35/58/606333558.db2.gz QDHLQSBKGATJEM-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000820760341 606333559 /nfs/dbraw/zinc/33/35/59/606333559.db2.gz QDHLQSBKGATJEM-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@H]1N1CCOCC1 ZINC000820752887 606333605 /nfs/dbraw/zinc/33/36/05/606333605.db2.gz TXGVDBZUXCWIOH-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@H]1N1CCOCC1 ZINC000820752887 606333606 /nfs/dbraw/zinc/33/36/06/606333606.db2.gz TXGVDBZUXCWIOH-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820752887 606333607 /nfs/dbraw/zinc/33/36/07/606333607.db2.gz TXGVDBZUXCWIOH-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820752887 606333608 /nfs/dbraw/zinc/33/36/08/606333608.db2.gz TXGVDBZUXCWIOH-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820753653 606333611 /nfs/dbraw/zinc/33/36/11/606333611.db2.gz ZXVBDTMPEXEMAJ-HFTRVMKXSA-N 0 3 388.472 0.259 20 0 GCADHN C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820753653 606333612 /nfs/dbraw/zinc/33/36/12/606333612.db2.gz ZXVBDTMPEXEMAJ-HFTRVMKXSA-N 0 3 388.472 0.259 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820759778 606333694 /nfs/dbraw/zinc/33/36/94/606333694.db2.gz NPJBZHCATYCUOH-TZMCWYRMSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820759778 606333696 /nfs/dbraw/zinc/33/36/96/606333696.db2.gz NPJBZHCATYCUOH-TZMCWYRMSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820759778 606333698 /nfs/dbraw/zinc/33/36/98/606333698.db2.gz NPJBZHCATYCUOH-TZMCWYRMSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820759778 606333700 /nfs/dbraw/zinc/33/37/00/606333700.db2.gz NPJBZHCATYCUOH-TZMCWYRMSA-N 0 3 391.501 0.909 20 0 GCADHN CN(CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Cc1ccc(F)cc1 ZINC000821602517 606426426 /nfs/dbraw/zinc/42/64/26/606426426.db2.gz GUJHPIDABMFPKE-CQSZACIVSA-N 0 3 385.451 0.966 20 0 GCADHN CN(CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Cc1ccc(F)cc1 ZINC000821602517 606426427 /nfs/dbraw/zinc/42/64/27/606426427.db2.gz GUJHPIDABMFPKE-CQSZACIVSA-N 0 3 385.451 0.966 20 0 GCADHN O=C(CC[NH+]1CCC2(CNC(=O)C2)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000823519176 606452273 /nfs/dbraw/zinc/45/22/73/606452273.db2.gz CSNLRQQXSNUGLB-UHFFFAOYSA-N 0 3 375.458 0.859 20 0 GCADHN O=C(CC[NH+]1CCC2(CNC(=O)C2)CC1)Nc1sccc1-c1nn[n-]n1 ZINC000823519176 606452274 /nfs/dbraw/zinc/45/22/74/606452274.db2.gz CSNLRQQXSNUGLB-UHFFFAOYSA-N 0 3 375.458 0.859 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821581685 606614667 /nfs/dbraw/zinc/61/46/67/606614667.db2.gz SCBBREFLJVJIJV-ZYHUDNBSSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821581685 606614669 /nfs/dbraw/zinc/61/46/69/606614669.db2.gz SCBBREFLJVJIJV-ZYHUDNBSSA-N 0 3 375.408 0.933 20 0 GCADHN COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000821756748 606615300 /nfs/dbraw/zinc/61/53/00/606615300.db2.gz RIRRGCUGLZBCTJ-OLZOCXBDSA-N 0 3 387.444 0.803 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000821756748 606615301 /nfs/dbraw/zinc/61/53/01/606615301.db2.gz RIRRGCUGLZBCTJ-OLZOCXBDSA-N 0 3 387.444 0.803 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000821649700 606623900 /nfs/dbraw/zinc/62/39/00/606623900.db2.gz BFYBLUSLXKQLOV-WMLDXEAASA-N 0 3 386.456 0.735 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821449763 606629594 /nfs/dbraw/zinc/62/95/94/606629594.db2.gz XLJOEGFFVSGZIX-OKPMHWBXSA-N 0 3 378.506 0.774 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821449763 606629595 /nfs/dbraw/zinc/62/95/95/606629595.db2.gz XLJOEGFFVSGZIX-OKPMHWBXSA-N 0 3 378.506 0.774 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000821755983 606636128 /nfs/dbraw/zinc/63/61/28/606636128.db2.gz LDJMKNTWUNHXFG-CMPLNLGQSA-N 0 3 385.428 0.555 20 0 GCADHN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821239378 606679161 /nfs/dbraw/zinc/67/91/61/606679161.db2.gz BELVANUZAPBMIU-DZGCQCFKSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821239378 606679162 /nfs/dbraw/zinc/67/91/62/606679162.db2.gz BELVANUZAPBMIU-DZGCQCFKSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821239378 606679163 /nfs/dbraw/zinc/67/91/63/606679163.db2.gz BELVANUZAPBMIU-DZGCQCFKSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821239378 606679164 /nfs/dbraw/zinc/67/91/64/606679164.db2.gz BELVANUZAPBMIU-DZGCQCFKSA-N 0 3 385.476 0.434 20 0 GCADHN C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857352 606701468 /nfs/dbraw/zinc/70/14/68/606701468.db2.gz ROCOSTREVZWJLJ-ZDUSSCGKSA-N 0 3 397.487 0.784 20 0 GCADHN C[C@@H](C(=O)NCCc1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857352 606701469 /nfs/dbraw/zinc/70/14/69/606701469.db2.gz ROCOSTREVZWJLJ-ZDUSSCGKSA-N 0 3 397.487 0.784 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000822637412 606718449 /nfs/dbraw/zinc/71/84/49/606718449.db2.gz QCBSFEWOXNRZDG-SJORKVTESA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000822637412 606718451 /nfs/dbraw/zinc/71/84/51/606718451.db2.gz QCBSFEWOXNRZDG-SJORKVTESA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000822637412 606718453 /nfs/dbraw/zinc/71/84/53/606718453.db2.gz QCBSFEWOXNRZDG-SJORKVTESA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000822637412 606718454 /nfs/dbraw/zinc/71/84/54/606718454.db2.gz QCBSFEWOXNRZDG-SJORKVTESA-N 0 3 395.467 0.818 20 0 GCADHN Clc1cccnc1OCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000822591513 606741238 /nfs/dbraw/zinc/74/12/38/606741238.db2.gz TXVCPXLMLKGZLY-SNVBAGLBSA-N 0 3 375.824 0.822 20 0 GCADHN Clc1cccnc1OCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000822591513 606741239 /nfs/dbraw/zinc/74/12/39/606741239.db2.gz TXVCPXLMLKGZLY-SNVBAGLBSA-N 0 3 375.824 0.822 20 0 GCADHN O=C(CN1CCN(c2cc[nH+]cc2)CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822996426 606751357 /nfs/dbraw/zinc/75/13/57/606751357.db2.gz DJXYUDMISVMGMA-UHFFFAOYSA-N 0 3 378.440 0.700 20 0 GCADHN C[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C[C@@H]1[NH+](C)C ZINC000820760951 606768970 /nfs/dbraw/zinc/76/89/70/606768970.db2.gz UNDIKDZNCNEXST-XFHNUULXSA-N 0 3 398.471 0.473 20 0 GCADHN CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000821932422 606773828 /nfs/dbraw/zinc/77/38/28/606773828.db2.gz LYSJUBWUPNXSND-RISCZKNCSA-N 0 3 390.473 0.322 20 0 GCADHN CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000821932422 606773829 /nfs/dbraw/zinc/77/38/29/606773829.db2.gz LYSJUBWUPNXSND-RISCZKNCSA-N 0 3 390.473 0.322 20 0 GCADHN CNC(=O)COc1cccc(C[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821633959 606855773 /nfs/dbraw/zinc/85/57/73/606855773.db2.gz LZZRGUMUOZIUSU-QGZVFWFLSA-N 0 3 382.424 0.815 20 0 GCADHN CNC(=O)COc1cccc(C[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821633958 606856093 /nfs/dbraw/zinc/85/60/93/606856093.db2.gz LZZRGUMUOZIUSU-KRWDZBQOSA-N 0 3 382.424 0.815 20 0 GCADHN O[C@@H](C[NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682948 606858695 /nfs/dbraw/zinc/85/86/95/606858695.db2.gz WIBZUKHBLGZALA-FUHWJXTLSA-N 0 3 390.513 0.698 20 0 GCADHN O[C@@H](C[NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682948 606858696 /nfs/dbraw/zinc/85/86/96/606858696.db2.gz WIBZUKHBLGZALA-FUHWJXTLSA-N 0 3 390.513 0.698 20 0 GCADHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696500 606862885 /nfs/dbraw/zinc/86/28/85/606862885.db2.gz FSSGTMBYQLZANP-RISCZKNCSA-N 0 3 397.443 0.536 20 0 GCADHN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696498 606862887 /nfs/dbraw/zinc/86/28/87/606862887.db2.gz FSSGTMBYQLZANP-BXUZGUMPSA-N 0 3 397.443 0.536 20 0 GCADHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696501 606862960 /nfs/dbraw/zinc/86/29/60/606862960.db2.gz FSSGTMBYQLZANP-SMDDNHRTSA-N 0 3 397.443 0.536 20 0 GCADHN CNS(=O)(=O)C[C@@H]1CCCN1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821636035 606928389 /nfs/dbraw/zinc/92/83/89/606928389.db2.gz CDLXIOJOIHZTJR-AWEZNQCLSA-N 0 3 380.474 0.649 20 0 GCADHN C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820750527 607064286 /nfs/dbraw/zinc/06/42/86/607064286.db2.gz BJOBUTWXSMJNFE-YOEHRIQHSA-N 0 3 389.479 0.843 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625588 607095046 /nfs/dbraw/zinc/09/50/46/607095046.db2.gz RHAXILWBSRYVRP-ABAIWWIYSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625588 607095047 /nfs/dbraw/zinc/09/50/47/607095047.db2.gz RHAXILWBSRYVRP-ABAIWWIYSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625588 607095049 /nfs/dbraw/zinc/09/50/49/607095049.db2.gz RHAXILWBSRYVRP-ABAIWWIYSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625588 607095051 /nfs/dbraw/zinc/09/50/51/607095051.db2.gz RHAXILWBSRYVRP-ABAIWWIYSA-N 0 3 387.419 0.887 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[NH2+]C(C)(C)C ZINC000820445991 607156287 /nfs/dbraw/zinc/15/62/87/607156287.db2.gz SOMYNCCGJSGBRN-NSHDSACASA-N 0 3 395.489 0.038 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[NH2+]C(C)(C)C ZINC000820445991 607156289 /nfs/dbraw/zinc/15/62/89/607156289.db2.gz SOMYNCCGJSGBRN-NSHDSACASA-N 0 3 395.489 0.038 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC[C@H]21 ZINC000821625814 607159732 /nfs/dbraw/zinc/15/97/32/607159732.db2.gz WEDUYELSPQIBAL-JKSUJKDBSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC[C@H]21 ZINC000821625814 607159734 /nfs/dbraw/zinc/15/97/34/607159734.db2.gz WEDUYELSPQIBAL-JKSUJKDBSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC[C@H]21 ZINC000821625814 607159736 /nfs/dbraw/zinc/15/97/36/607159736.db2.gz WEDUYELSPQIBAL-JKSUJKDBSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC[C@H]21 ZINC000821625814 607159738 /nfs/dbraw/zinc/15/97/38/607159738.db2.gz WEDUYELSPQIBAL-JKSUJKDBSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC[C@@H]21 ZINC000821625811 607159839 /nfs/dbraw/zinc/15/98/39/607159839.db2.gz WEDUYELSPQIBAL-CVEARBPZSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC[C@@H]21 ZINC000821625811 607159840 /nfs/dbraw/zinc/15/98/40/607159840.db2.gz WEDUYELSPQIBAL-CVEARBPZSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC[C@@H]21 ZINC000821625811 607159841 /nfs/dbraw/zinc/15/98/41/607159841.db2.gz WEDUYELSPQIBAL-CVEARBPZSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC[C@@H]21 ZINC000821625811 607159842 /nfs/dbraw/zinc/15/98/42/607159842.db2.gz WEDUYELSPQIBAL-CVEARBPZSA-N 0 3 383.456 0.539 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821350691 607159849 /nfs/dbraw/zinc/15/98/49/607159849.db2.gz BKPIIHPSMFPXFT-OAHLLOKOSA-N 0 3 389.460 0.070 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821350691 607159850 /nfs/dbraw/zinc/15/98/50/607159850.db2.gz BKPIIHPSMFPXFT-OAHLLOKOSA-N 0 3 389.460 0.070 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314415 607182982 /nfs/dbraw/zinc/18/29/82/607182982.db2.gz IPDGAVBDHFYYFS-GFCCVEGCSA-N 0 3 397.443 0.441 20 0 GCADHN CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000824207147 607776344 /nfs/dbraw/zinc/77/63/44/607776344.db2.gz QLCFEDXMKPYHSP-MAUKXSAKSA-N 0 3 376.461 0.699 20 0 GCADHN CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000824207147 607776345 /nfs/dbraw/zinc/77/63/45/607776345.db2.gz QLCFEDXMKPYHSP-MAUKXSAKSA-N 0 3 376.461 0.699 20 0 GCADHN CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000824207148 607776447 /nfs/dbraw/zinc/77/64/47/607776447.db2.gz QLCFEDXMKPYHSP-QAPCUYQASA-N 0 3 376.461 0.699 20 0 GCADHN CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000824207148 607776448 /nfs/dbraw/zinc/77/64/48/607776448.db2.gz QLCFEDXMKPYHSP-QAPCUYQASA-N 0 3 376.461 0.699 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000826175972 607777141 /nfs/dbraw/zinc/77/71/41/607777141.db2.gz WFHPXIWLLRICSI-GOSISDBHSA-N 0 3 392.460 0.463 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000826503615 607801950 /nfs/dbraw/zinc/80/19/50/607801950.db2.gz BJWURDOBJVEADD-MRXNPFEDSA-N 0 3 384.444 0.610 20 0 GCADHN COC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000826148138 607925751 /nfs/dbraw/zinc/92/57/51/607925751.db2.gz ADCQWFDWPZSFGK-KRWDZBQOSA-N 0 3 377.401 0.711 20 0 GCADHN CN1CCN(C(=O)CN2CCCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 ZINC000826038613 607958631 /nfs/dbraw/zinc/95/86/31/607958631.db2.gz REZZNDSKJQGQIA-UHFFFAOYSA-N 0 3 384.488 0.153 20 0 GCADHN C[C@H]1CN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824985030 608170656 /nfs/dbraw/zinc/17/06/56/608170656.db2.gz QJXCNKZHUUKISV-MAUKXSAKSA-N 0 3 398.515 0.763 20 0 GCADHN Cc1ccc(-c2nn[nH]n2)c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1 ZINC000826275271 608285268 /nfs/dbraw/zinc/28/52/68/608285268.db2.gz VCTKFFBOZYLUHR-INIZCTEOSA-N 0 3 386.504 0.801 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000826169176 608353094 /nfs/dbraw/zinc/35/30/94/608353094.db2.gz KKGQJXVNAXDFLJ-INIZCTEOSA-N 0 3 386.456 0.946 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000826169176 608353096 /nfs/dbraw/zinc/35/30/96/608353096.db2.gz KKGQJXVNAXDFLJ-INIZCTEOSA-N 0 3 386.456 0.946 20 0 GCADHN C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824954446 608354860 /nfs/dbraw/zinc/35/48/60/608354860.db2.gz KALAQAFATDCPEI-LLVKDONJSA-N 0 3 389.464 0.215 20 0 GCADHN C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824954446 608354861 /nfs/dbraw/zinc/35/48/61/608354861.db2.gz KALAQAFATDCPEI-LLVKDONJSA-N 0 3 389.464 0.215 20 0 GCADHN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825444412 608356646 /nfs/dbraw/zinc/35/66/46/608356646.db2.gz MTLVJNBKWGXWOT-CMPLNLGQSA-N 0 3 389.464 0.213 20 0 GCADHN CC[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825444412 608356647 /nfs/dbraw/zinc/35/66/47/608356647.db2.gz MTLVJNBKWGXWOT-CMPLNLGQSA-N 0 3 389.464 0.213 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000826167628 608368087 /nfs/dbraw/zinc/36/80/87/608368087.db2.gz LPOUPSCJOKMHHK-UHFFFAOYSA-N 0 3 380.474 0.731 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000826167628 608368089 /nfs/dbraw/zinc/36/80/89/608368089.db2.gz LPOUPSCJOKMHHK-UHFFFAOYSA-N 0 3 380.474 0.731 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3F)C[C@H]2C)CC1 ZINC000823982250 608397178 /nfs/dbraw/zinc/39/71/78/608397178.db2.gz XVSJQEKRENOJLH-CXAGYDPISA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3F)C[C@H]2C)CC1 ZINC000823982250 608397180 /nfs/dbraw/zinc/39/71/80/608397180.db2.gz XVSJQEKRENOJLH-CXAGYDPISA-N 0 3 387.463 0.990 20 0 GCADHN CCc1nnc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000825768007 608435904 /nfs/dbraw/zinc/43/59/04/608435904.db2.gz XUCVXBKUCPBLPO-OAHLLOKOSA-N 0 3 399.503 0.700 20 0 GCADHN CCc1nnc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000825768007 608435906 /nfs/dbraw/zinc/43/59/06/608435906.db2.gz XUCVXBKUCPBLPO-OAHLLOKOSA-N 0 3 399.503 0.700 20 0 GCADHN CCc1nnc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000825768007 608435908 /nfs/dbraw/zinc/43/59/08/608435908.db2.gz XUCVXBKUCPBLPO-OAHLLOKOSA-N 0 3 399.503 0.700 20 0 GCADHN CCc1nnc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000825768007 608435910 /nfs/dbraw/zinc/43/59/10/608435910.db2.gz XUCVXBKUCPBLPO-OAHLLOKOSA-N 0 3 399.503 0.700 20 0 GCADHN COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000826212883 608451345 /nfs/dbraw/zinc/45/13/45/608451345.db2.gz DJSAAMRAQKVTCJ-YPMHNXCESA-N 0 3 382.428 0.707 20 0 GCADHN COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000826212883 608451347 /nfs/dbraw/zinc/45/13/47/608451347.db2.gz DJSAAMRAQKVTCJ-YPMHNXCESA-N 0 3 382.428 0.707 20 0 GCADHN CC[NH+](CC)CCN(CCOC)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825413190 609223772 /nfs/dbraw/zinc/22/37/72/609223772.db2.gz YFGSVKWRAWLGQD-MRXNPFEDSA-N 0 3 376.461 0.717 20 0 GCADHN Cc1cc(C(=O)NCCOCC[NH+](C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259215 609261826 /nfs/dbraw/zinc/26/18/26/609261826.db2.gz LDOCILCXAHHONF-UHFFFAOYSA-N 0 3 384.444 0.669 20 0 GCADHN Cc1cc(C(=O)NCCOCC[NH+](C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259215 609261828 /nfs/dbraw/zinc/26/18/28/609261828.db2.gz LDOCILCXAHHONF-UHFFFAOYSA-N 0 3 384.444 0.669 20 0 GCADHN O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826443471 609417097 /nfs/dbraw/zinc/41/70/97/609417097.db2.gz QMHBXBHSVKIKMU-MRXNPFEDSA-N 0 3 379.424 0.758 20 0 GCADHN O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826443471 609417100 /nfs/dbraw/zinc/41/71/00/609417100.db2.gz QMHBXBHSVKIKMU-MRXNPFEDSA-N 0 3 379.424 0.758 20 0 GCADHN O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826443471 609417103 /nfs/dbraw/zinc/41/71/03/609417103.db2.gz QMHBXBHSVKIKMU-MRXNPFEDSA-N 0 3 379.424 0.758 20 0 GCADHN O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826443471 609417104 /nfs/dbraw/zinc/41/71/04/609417104.db2.gz QMHBXBHSVKIKMU-MRXNPFEDSA-N 0 3 379.424 0.758 20 0 GCADHN CC(C)(C)[C@@H](CO)[NH2+]CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735590211 609438474 /nfs/dbraw/zinc/43/84/74/609438474.db2.gz WEPMYQUMVPQUSF-CQSZACIVSA-N 0 3 384.444 0.988 20 0 GCADHN O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000826485706 609512518 /nfs/dbraw/zinc/51/25/18/609512518.db2.gz AWSOSSGQUDTXFW-UHFFFAOYSA-N 0 3 385.453 0.914 20 0 GCADHN Cn1cc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@@H]2CO)c(Br)n1 ZINC000866842920 638430102 /nfs/dbraw/zinc/43/01/02/638430102.db2.gz GHWMHSBLXIWUOJ-LLVKDONJSA-N 0 3 395.323 0.698 20 0 GCADHN Cn1cc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@@H]2CO)c(Br)n1 ZINC000866842920 638430104 /nfs/dbraw/zinc/43/01/04/638430104.db2.gz GHWMHSBLXIWUOJ-LLVKDONJSA-N 0 3 395.323 0.698 20 0 GCADHN CCN(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000891881021 638515747 /nfs/dbraw/zinc/51/57/47/638515747.db2.gz SGXHNOXCZCAUTI-LBPRGKRZSA-N 0 3 376.429 0.637 20 0 GCADHN CCN(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000891881020 638515947 /nfs/dbraw/zinc/51/59/47/638515947.db2.gz SGXHNOXCZCAUTI-GFCCVEGCSA-N 0 3 376.429 0.637 20 0 GCADHN CS(=O)(=O)N1CCC(NC(=O)CN2CCCSC[C@H]2C2CC2)CC1 ZINC000933911923 638516741 /nfs/dbraw/zinc/51/67/41/638516741.db2.gz HFCPWMJLDDGHKA-HNNXBMFYSA-N 0 3 375.560 0.744 20 0 GCADHN CN1CC[C@H](NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000053528381 638622401 /nfs/dbraw/zinc/62/24/01/638622401.db2.gz OLZQFMXVKNILKU-AWEZNQCLSA-N 0 3 384.527 0.698 20 0 GCADHN COC(=O)[C@@H]1[C@H](CNCCNS(=O)(=O)c2ccc(F)cc2F)C1(F)F ZINC000894659918 638708235 /nfs/dbraw/zinc/70/82/35/638708235.db2.gz FJGDBIRJVVEYAB-CABZTGNLSA-N 0 3 384.351 0.887 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1F ZINC000262143315 638730302 /nfs/dbraw/zinc/73/03/02/638730302.db2.gz PQZQRIOVMTWZHL-LLVKDONJSA-N 0 3 379.479 0.947 20 0 GCADHN Cn1cc(Br)c(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)n1 ZINC000895157575 638733868 /nfs/dbraw/zinc/73/38/68/638733868.db2.gz SLYVKHNFAATWFA-UONOGXRCSA-N 0 3 386.294 0.923 20 0 GCADHN Cc1ncc(I)c(NCCN(C)CCOCCO)n1 ZINC000895160428 638734478 /nfs/dbraw/zinc/73/44/78/638734478.db2.gz LYRWBZSCZKFHLG-UHFFFAOYSA-N 0 3 380.230 0.742 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=S)NCCNS(C)(=O)=O ZINC000727077718 638735184 /nfs/dbraw/zinc/73/51/84/638735184.db2.gz CWFDFZUFXICADW-UHFFFAOYSA-N 0 3 376.523 0.613 20 0 GCADHN CCCN(CCN(C)C)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727178221 638740442 /nfs/dbraw/zinc/74/04/42/638740442.db2.gz PJZRNPKUNGVFLR-UHFFFAOYSA-N 0 3 399.293 0.693 20 0 GCADHN OCCO[C@]1(CNCc2sc(N3CCOCC3)nc2Cl)CCOC1 ZINC000895250136 638744498 /nfs/dbraw/zinc/74/44/98/638744498.db2.gz COZFOFGEZMSTJL-HNNXBMFYSA-N 0 3 377.894 0.891 20 0 GCADHN CN1CCN(CCCCNC(=O)c2c[nH]nc2I)CC1 ZINC000895712147 639029308 /nfs/dbraw/zinc/02/93/08/639029308.db2.gz ZUZMGQDIZUXNDD-UHFFFAOYSA-N 0 3 391.257 0.772 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1c[nH]nc1I ZINC000895990639 639035836 /nfs/dbraw/zinc/03/58/36/639035836.db2.gz JTZLSOVEZWFXBF-BDAKNGLRSA-N 0 3 376.198 0.607 20 0 GCADHN Cn1ncc(Br)c1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000896098413 639038205 /nfs/dbraw/zinc/03/82/05/639038205.db2.gz ISWUSGNNEKFSCO-OLZOCXBDSA-N 0 3 386.294 0.923 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ncc(Br)cn1 ZINC000898378863 639226191 /nfs/dbraw/zinc/22/61/91/639226191.db2.gz AXOOFLZZYUIAAE-JTQLQIEISA-N 0 3 385.266 0.501 20 0 GCADHN CN(CCO)CCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000899731807 639271394 /nfs/dbraw/zinc/27/13/94/639271394.db2.gz LCQDDZDHZUYQIY-CQSZACIVSA-N 0 3 384.274 0.842 20 0 GCADHN CN(CCO)CCNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000899727754 639272331 /nfs/dbraw/zinc/27/23/31/639272331.db2.gz FRPXFUZCNVDQMK-UHFFFAOYSA-N 0 3 375.466 0.267 20 0 GCADHN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCCN(C)CCO ZINC000899732422 639273430 /nfs/dbraw/zinc/27/34/30/639273430.db2.gz XQMAQFXDBMOSPN-VIFPVBQESA-N 0 3 378.292 0.669 20 0 GCADHN CN(CCO)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000899729860 639273474 /nfs/dbraw/zinc/27/34/74/639273474.db2.gz PRXLLJIRTYSXJN-GFCCVEGCSA-N 0 3 384.274 0.842 20 0 GCADHN CN(CCO)CCNC(=O)c1cccn2c(I)cnc12 ZINC000899734803 639273613 /nfs/dbraw/zinc/27/36/13/639273613.db2.gz SZFXTOCPUDJLIJ-UHFFFAOYSA-N 0 3 388.209 0.593 20 0 GCADHN CN1CCN(CCCNC(=O)c2c[nH]nc2I)CC1 ZINC000899991402 639279777 /nfs/dbraw/zinc/27/97/77/639279777.db2.gz LHXOHYSAZBUUBJ-UHFFFAOYSA-N 0 3 377.230 0.382 20 0 GCADHN Cn1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(I)n1 ZINC000906459454 639322739 /nfs/dbraw/zinc/32/27/39/639322739.db2.gz MHTPZNRCSDDJIH-NXEZZACHSA-N 0 3 390.225 0.618 20 0 GCADHN Cn1cc(C(=O)N[C@@H](CO)CN2CCCC2)c(I)n1 ZINC000908206826 639445221 /nfs/dbraw/zinc/44/52/21/639445221.db2.gz UBNMTAFWUBBAEP-SECBINFHSA-N 0 3 378.214 0.211 20 0 GCADHN CN1CCNC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000911973338 639526732 /nfs/dbraw/zinc/52/67/32/639526732.db2.gz KAUNZQHTPYSFKU-HNNXBMFYSA-N 0 3 386.905 0.077 20 0 GCADHN CN1CCNC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000912055604 639528466 /nfs/dbraw/zinc/52/84/66/639528466.db2.gz AGSGPTNIHCBKDE-AWEZNQCLSA-N 0 3 386.905 0.077 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000057089022 639592031 /nfs/dbraw/zinc/59/20/31/639592031.db2.gz XFHBHCPSQKXUAM-LSDHHAIUSA-N 0 3 376.523 0.715 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000913919620 639683964 /nfs/dbraw/zinc/68/39/64/639683964.db2.gz TTYPUFNXDYXURG-CABCVRRESA-N 0 3 379.548 0.063 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000730571424 639732611 /nfs/dbraw/zinc/73/26/11/639732611.db2.gz RDCYKJOYPPZRNM-OCCSQVGLSA-N 0 3 377.894 0.585 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000730938135 639746987 /nfs/dbraw/zinc/74/69/87/639746987.db2.gz USEBYUHRBKOYNV-CQSZACIVSA-N 0 3 375.516 0.138 20 0 GCADHN Cn1nnc(Br)c1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000702587376 640124043 /nfs/dbraw/zinc/12/40/43/640124043.db2.gz NVHLAVWKKHXHQM-INIZCTEOSA-N 0 3 394.273 0.944 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCCS(N)(=O)=O ZINC000923214244 640133487 /nfs/dbraw/zinc/13/34/87/640133487.db2.gz PMZQOGITSTYDBP-UHFFFAOYSA-N 0 3 378.445 0.717 20 0 GCADHN O=C(c1cccc(Cl)c1)N1CCCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923593584 640145047 /nfs/dbraw/zinc/14/50/47/640145047.db2.gz BOUAFDUOGRKEAS-UHFFFAOYSA-N 0 3 386.905 0.638 20 0 GCADHN O=S(=O)(N=S1(=O)CCCC1)NC1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000866982695 640173533 /nfs/dbraw/zinc/17/35/33/640173533.db2.gz SJMVIQOPGRMRHN-LSDHHAIUSA-N 0 3 379.548 0.851 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000740423982 640209537 /nfs/dbraw/zinc/20/95/37/640209537.db2.gz YARWPOHRAUBPEY-DZGCQCFKSA-N 0 3 391.921 0.723 20 0 GCADHN CCN(CC)CCN(C(=S)NCCCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000839416789 640212022 /nfs/dbraw/zinc/21/20/22/640212022.db2.gz QLZJRPMNUDNCFI-OAHLLOKOSA-N 0 3 378.608 0.644 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000745463685 640281487 /nfs/dbraw/zinc/28/14/87/640281487.db2.gz HXKCFQOUMKMKGV-OAHLLOKOSA-N 0 3 376.523 0.715 20 0 GCADHN COCCS(=O)(=O)CC(=O)N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 ZINC000748854545 640332369 /nfs/dbraw/zinc/33/23/69/640332369.db2.gz ABWZLUDDYINXQL-HZPDHXFCSA-N 0 3 375.535 0.065 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000804986667 640363119 /nfs/dbraw/zinc/36/31/19/640363119.db2.gz RFPILZOGOHITJT-SNVBAGLBSA-N 0 3 378.857 0.740 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000804986667 640363123 /nfs/dbraw/zinc/36/31/23/640363123.db2.gz RFPILZOGOHITJT-SNVBAGLBSA-N 0 3 378.857 0.740 20 0 GCADHN COC(=O)c1nc(Cl)ccc1S(=O)(=O)NCC1(N(C)C)CCOCC1 ZINC000751105044 640375185 /nfs/dbraw/zinc/37/51/85/640375185.db2.gz OWPFOSMFOHGESS-UHFFFAOYSA-N 0 3 391.877 0.911 20 0 GCADHN C[C@H](C[S@](C)=O)N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000753762288 640437904 /nfs/dbraw/zinc/43/79/04/640437904.db2.gz KEOWKGLZQAUVRV-ZSDNHXBWSA-N 0 3 396.556 0.830 20 0 GCADHN CS[C@H]1CN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)C[C@H]1N(C)C ZINC000759987135 640560110 /nfs/dbraw/zinc/56/01/10/640560110.db2.gz SWZYDJPASJAFHG-NEPJUHHUSA-N 0 3 375.520 0.437 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000762715372 640613963 /nfs/dbraw/zinc/61/39/63/640613963.db2.gz FARQJPJWZZDINS-OAHLLOKOSA-N 0 3 375.878 0.387 20 0 GCADHN COC[C@@H](CCO)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766106004 640690724 /nfs/dbraw/zinc/69/07/24/640690724.db2.gz AMZMXXUFVKRSNN-GXTWGEPZSA-N 0 3 394.515 0.460 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000770804633 640814681 /nfs/dbraw/zinc/81/46/81/640814681.db2.gz XUSGAVLRURIDFN-GFCCVEGCSA-N 0 3 398.305 0.925 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000774079688 640876580 /nfs/dbraw/zinc/87/65/80/640876580.db2.gz WAFRKYFJXLQAQB-UHFFFAOYSA-N 0 3 384.278 0.536 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775157078 641067801 /nfs/dbraw/zinc/06/78/01/641067801.db2.gz AZPVRLVBRCVXJL-LBPRGKRZSA-N 0 3 391.299 0.063 20 0 GCADHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCCS(=O)(=O)N1CCOCC1 ZINC000775628406 641080808 /nfs/dbraw/zinc/08/08/08/641080808.db2.gz QOPLRAYFZQMGPG-KBPBESRZSA-N 0 3 377.507 0.684 20 0 GCADHN CC(C)CS(=O)(=O)N1CCC(NC(=S)NC2CCN(C)CC2)CC1 ZINC000776735357 641115989 /nfs/dbraw/zinc/11/59/89/641115989.db2.gz PSTBOCZBFHDSIQ-UHFFFAOYSA-N 0 3 376.592 0.995 20 0 GCADHN O=C(CN1C(=S)N=NC1c1cccs1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861710348 641162485 /nfs/dbraw/zinc/16/24/85/641162485.db2.gz OQIBEOCEDGGCKI-RYUDHWBXSA-N 0 3 379.511 0.963 20 0 GCADHN O=C(CN1C(=S)N=NC1c1cccs1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861710345 641162541 /nfs/dbraw/zinc/16/25/41/641162541.db2.gz OQIBEOCEDGGCKI-NEPJUHHUSA-N 0 3 379.511 0.963 20 0 GCADHN CC(C)(C)OC(=O)N1[C@H](CNC[C@]2(O)CCS(=O)(=O)C2)COC1(C)C ZINC000862383404 641195150 /nfs/dbraw/zinc/19/51/50/641195150.db2.gz RKOLLQHYHWYEGF-MLGOLLRUSA-N 0 3 378.491 0.498 20 0 GCADHN CCNS(=O)(=O)CCN[C@@H](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000783519160 641270411 /nfs/dbraw/zinc/27/04/11/641270411.db2.gz WKJVYXHMSOQRLL-ZDUSSCGKSA-N 0 3 377.507 0.096 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@@H]1CCC[NH2+]C1 ZINC000866738541 641320951 /nfs/dbraw/zinc/32/09/51/641320951.db2.gz ONANWZUDMVMIME-RKDXNWHRSA-N 0 3 398.270 0.691 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)c1I ZINC000866738974 641321167 /nfs/dbraw/zinc/32/11/67/641321167.db2.gz UWCUMMQSIDGTPX-QMMMGPOBSA-N 0 3 384.243 0.303 20 0 GCADHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866765873 641328166 /nfs/dbraw/zinc/32/81/66/641328166.db2.gz CORCAEGSVROKDY-MRVPVSSYSA-N 0 3 386.259 0.821 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@H]2CC23CC[NH2+]CC3)c1I ZINC000866766449 641328285 /nfs/dbraw/zinc/32/82/85/641328285.db2.gz RVDDJMFJFULBGD-SECBINFHSA-N 0 3 396.254 0.445 20 0 GCADHN CS(=O)(=O)N1CCC[C@H](COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000786484275 641329478 /nfs/dbraw/zinc/32/94/78/641329478.db2.gz AYDZSJGYPPJJNV-HBNTYKKESA-N 0 3 386.392 0.658 20 0 GCADHN C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cnn(C)c2I)C[NH2+]1 ZINC000866781152 641331421 /nfs/dbraw/zinc/33/14/21/641331421.db2.gz LXRSQGFMEAUBDS-SFYZADRCSA-N 0 3 384.243 0.444 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCNCCC1(C)C ZINC000866803404 641335749 /nfs/dbraw/zinc/33/57/49/641335749.db2.gz UXKLBKOHDBQYGK-UHFFFAOYSA-N 0 3 375.516 0.700 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCNCCC2(C)C)cc1 ZINC000866804937 641336404 /nfs/dbraw/zinc/33/64/04/641336404.db2.gz VTDGGOIANQWIJT-UHFFFAOYSA-N 0 3 375.516 0.700 20 0 GCADHN CN(C)CCCS(=O)(=O)N[C@@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000867510433 641349159 /nfs/dbraw/zinc/34/91/59/641349159.db2.gz MKMSJSQCOQDVKE-ZDUSSCGKSA-N 0 3 377.507 0.636 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c(Br)n1 ZINC000867533527 641352186 /nfs/dbraw/zinc/35/21/86/641352186.db2.gz DYTYAMXWPLABRX-NSHDSACASA-N 0 3 393.307 0.402 20 0 GCADHN C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000787635663 641352750 /nfs/dbraw/zinc/35/27/50/641352750.db2.gz XPFZEAFYFJRRAC-RWMBFGLXSA-N 0 3 386.905 0.812 20 0 GCADHN C[C@@H](CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000787635663 641352757 /nfs/dbraw/zinc/35/27/57/641352757.db2.gz XPFZEAFYFJRRAC-RWMBFGLXSA-N 0 3 386.905 0.812 20 0 GCADHN CN(C)CCCS(=O)(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000867560794 641355810 /nfs/dbraw/zinc/35/58/10/641355810.db2.gz QGBKDBYFWNUKOB-UHFFFAOYSA-N 0 3 379.523 0.931 20 0 GCADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1scnc1C(=O)OC ZINC000867580486 641358876 /nfs/dbraw/zinc/35/88/76/641358876.db2.gz BIMBQWVOYZPKRY-UHFFFAOYSA-N 0 3 391.515 0.909 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)CC1=O ZINC000867708792 641369653 /nfs/dbraw/zinc/36/96/53/641369653.db2.gz CKDMSISANMCRER-LBPRGKRZSA-N 0 3 390.893 0.192 20 0 GCADHN CCOC(=O)N1CCC(S(=O)(=O)NCCN2CCN(CC)CC2)CC1 ZINC000788677648 641375494 /nfs/dbraw/zinc/37/54/94/641375494.db2.gz VILOMGDPBCFALH-UHFFFAOYSA-N 0 3 376.523 0.164 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@H]1CCN1C1CCCCCC1 ZINC000867793598 641378698 /nfs/dbraw/zinc/37/86/98/641378698.db2.gz JUUSIRCOAZMFAF-MRXNPFEDSA-N 0 3 395.591 0.984 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1cccc(Br)c1 ZINC000869194797 641418287 /nfs/dbraw/zinc/41/82/87/641418287.db2.gz JCMVCONCMAHQNU-ARFHVFGLSA-N 0 3 396.285 0.904 20 0 GCADHN CC(C)(O)CN1CC[C@H](NC(=O)c2nc3ncc(Br)cn3n2)C1 ZINC000869782865 641429411 /nfs/dbraw/zinc/42/94/11/641429411.db2.gz VSSIQCWFHDGJJK-JTQLQIEISA-N 0 3 383.250 0.462 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000792688178 641452537 /nfs/dbraw/zinc/45/25/37/641452537.db2.gz JLJWEACPZQZXAU-OAHLLOKOSA-N 0 3 392.591 0.328 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@]23CCC[C@@H]2[NH2+]CC3)c1I ZINC000871820554 641459917 /nfs/dbraw/zinc/45/99/17/641459917.db2.gz QNZAZHUYRFDDJW-ONGXEEELSA-N 0 3 396.254 0.588 20 0 GCADHN O=C1[C@@H](NS(=O)(=O)N2CCNCC2)CCN1c1ccc(Cl)c(F)c1 ZINC000923634259 641462855 /nfs/dbraw/zinc/46/28/55/641462855.db2.gz LLEVMNRLGDNENC-ZDUSSCGKSA-N 0 3 376.841 0.324 20 0 GCADHN CN1CCC[C@@H](N2CCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC2)C1 ZINC000872450159 641470311 /nfs/dbraw/zinc/47/03/11/641470311.db2.gz WOHXSDOHBRHVCR-QKFKETGDSA-N 0 3 380.580 0.839 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000872542513 641482597 /nfs/dbraw/zinc/48/25/97/641482597.db2.gz CCYBMGHFCJUSOG-OWCLPIDISA-N 0 3 375.535 0.400 20 0 GCADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000794404858 641490534 /nfs/dbraw/zinc/49/05/34/641490534.db2.gz PNFSKUAIZHOECE-KGLIPLIRSA-N 0 3 379.523 0.523 20 0 GCADHN Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCCOCCS(C)(=O)=O ZINC000794819836 641498215 /nfs/dbraw/zinc/49/82/15/641498215.db2.gz XYCCEFXBDLDDSC-CYBMUJFWSA-N 0 3 378.516 0.663 20 0 GCADHN CN(C[C@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1)S(C)(=O)=O ZINC000796127495 641535286 /nfs/dbraw/zinc/53/52/86/641535286.db2.gz XHKFGQVLUVNZQG-OAHLLOKOSA-N 0 3 389.543 0.480 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2nn(C)cc2C(F)F)CCSC1 ZINC000875072421 641537061 /nfs/dbraw/zinc/53/70/61/641537061.db2.gz BERMEKQPCCRCNX-OAHLLOKOSA-N 0 3 375.445 0.527 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000875113931 641537984 /nfs/dbraw/zinc/53/79/84/641537984.db2.gz MKZXBKGBHIQYSM-UHFFFAOYSA-N 0 3 399.289 0.687 20 0 GCADHN Cn1ncc(I)c1CNC(=O)N1CCCN(C)CC1 ZINC000876301349 641561997 /nfs/dbraw/zinc/56/19/97/641561997.db2.gz AQFFSABAYHQFKG-UHFFFAOYSA-N 0 3 377.230 0.872 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)CCn1cc(Br)cn1 ZINC000876471591 641564110 /nfs/dbraw/zinc/56/41/10/641564110.db2.gz DKAGERYHTFKHLT-OAHLLOKOSA-N 0 3 389.294 0.841 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1c(Br)cnn1C ZINC000876475199 641564195 /nfs/dbraw/zinc/56/41/95/641564195.db2.gz MWMJJURPUARSCW-CQSZACIVSA-N 0 3 375.267 0.602 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)[C@H](N)c2cccc(Br)c2)CC1 ZINC000876725479 641568983 /nfs/dbraw/zinc/56/89/83/641568983.db2.gz JXTJVRZRABTGHY-OAHLLOKOSA-N 0 3 383.290 0.776 20 0 GCADHN COC[C@]1(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCCCN1 ZINC000876691411 641569028 /nfs/dbraw/zinc/56/90/28/641569028.db2.gz IINKLNSOYNZGKQ-ZDUSSCGKSA-N 0 3 387.424 0.575 20 0 GCADHN COc1ccc(S(=O)(=O)N2CC(NCC3CCS(=O)(=O)CC3)C2)cc1 ZINC000877377766 641579947 /nfs/dbraw/zinc/57/99/47/641579947.db2.gz XUIOFXPLJSTZHB-UHFFFAOYSA-N 0 3 388.511 0.483 20 0 GCADHN CN1CCC2(CCCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000798466764 641586765 /nfs/dbraw/zinc/58/67/65/641586765.db2.gz SXNWMLJFELJWRS-UHFFFAOYSA-N 0 3 387.527 0.831 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878196715 641590193 /nfs/dbraw/zinc/59/01/93/641590193.db2.gz AALZDRYLLQKFEK-VXGBXAGGSA-N 0 3 387.278 0.709 20 0 GCADHN C[C@H](Sc1nc(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cs1)C(N)=O ZINC000878543312 641596421 /nfs/dbraw/zinc/59/64/21/641596421.db2.gz YVLBCKYUVKRTPM-UHTWSYAYSA-N 0 3 384.527 0.631 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000879185287 641608990 /nfs/dbraw/zinc/60/89/90/641608990.db2.gz JJKKFXWEIYGSBE-CYBMUJFWSA-N 0 3 398.305 0.490 20 0 GCADHN COCCN(C(=O)CNC(C)(C)[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000879407840 641612713 /nfs/dbraw/zinc/61/27/13/641612713.db2.gz FIAJLFHPKGWCJS-CABCVRRESA-N 0 3 376.519 0.586 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H]2CSC[C@@H]2C1)S(C)(=O)=O ZINC000879561165 641615152 /nfs/dbraw/zinc/61/51/52/641615152.db2.gz YJMIBTADLAJDMQ-CABCVRRESA-N 0 3 377.576 0.848 20 0 GCADHN Cn1nc(I)cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000879991872 641624093 /nfs/dbraw/zinc/62/40/93/641624093.db2.gz YZKJREPLIVFOGB-SECBINFHSA-N 0 3 378.214 0.211 20 0 GCADHN CC[C@@H](Sc1nc(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cs1)C(N)=O ZINC000880619840 641635068 /nfs/dbraw/zinc/63/50/68/641635068.db2.gz HXINKOHZWWLRRW-YNEHKIRRSA-N 0 3 384.527 0.319 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000882125343 641694307 /nfs/dbraw/zinc/69/43/07/641694307.db2.gz DKBYMGNUJXVGND-LLVKDONJSA-N 0 3 394.277 0.805 20 0 GCADHN CN(C)[S@](C)(=O)=NS(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000882142462 641696007 /nfs/dbraw/zinc/69/60/07/641696007.db2.gz JLSOGNDAZJZQFA-JRLRZGBRSA-N 0 3 386.543 0.869 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000809524799 641708547 /nfs/dbraw/zinc/70/85/47/641708547.db2.gz FMQPYSUAOHIQBD-HZSPNIEDSA-N 0 3 375.560 0.519 20 0 GCADHN O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CCNCCC12CCC2 ZINC000883478410 641753533 /nfs/dbraw/zinc/75/35/33/641753533.db2.gz HRPFDQAOAMIBFJ-UHFFFAOYSA-N 0 3 387.527 0.513 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCNCCC23CCC3)c1 ZINC000883478688 641753785 /nfs/dbraw/zinc/75/37/85/641753785.db2.gz UPUGFUQATKDZQQ-UHFFFAOYSA-N 0 3 387.527 0.844 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCNCCC23CCC3)s1 ZINC000884573725 641786599 /nfs/dbraw/zinc/78/65/99/641786599.db2.gz TUFNPMCOKYNXSW-UHFFFAOYSA-N 0 3 385.511 0.512 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ncc(Br)s1 ZINC000884705755 641788910 /nfs/dbraw/zinc/78/89/10/641788910.db2.gz GXTKIPQBUVQWOD-SFYZADRCSA-N 0 3 391.291 0.751 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885862413 641820505 /nfs/dbraw/zinc/82/05/05/641820505.db2.gz GGMAOOAHNSVVDQ-TZMCWYRMSA-N 0 3 387.527 0.784 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000885864776 641820734 /nfs/dbraw/zinc/82/07/34/641820734.db2.gz NZTMDISHLXNMAN-HBNTYKKESA-N 0 3 386.392 0.895 20 0 GCADHN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886247485 641838223 /nfs/dbraw/zinc/83/82/23/641838223.db2.gz SCFZVEMMQGBSNF-NZPIUUIZSA-N 0 3 387.274 0.936 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H]([C@@H]2CCCO2)C1)S(C)(=O)=O ZINC000886830558 641847018 /nfs/dbraw/zinc/84/70/18/641847018.db2.gz TZLYMPOBKBZVGK-CVEARBPZSA-N 0 3 375.535 0.664 20 0 GCADHN CCN(C(=O)[C@H](C)N[C@H](COC)[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000886904444 641850938 /nfs/dbraw/zinc/85/09/38/641850938.db2.gz ZXMXPJJHIOPBEN-CAOSSQGBSA-N 0 3 376.519 0.442 20 0 GCADHN COc1ccc(C(=O)N[C@@H](CO)CN(C)C)nc1I ZINC000816618989 641855857 /nfs/dbraw/zinc/85/58/57/641855857.db2.gz PIFLLZWBTNYONE-MRVPVSSYSA-N 0 3 379.198 0.347 20 0 GCADHN O=S(=O)(NCc1cn(CC[C@@H]2CCCC2(F)F)nn1)N1CCNCC1 ZINC000887424661 641858965 /nfs/dbraw/zinc/85/89/65/641858965.db2.gz BJPSLUQPMSBXOU-LBPRGKRZSA-N 0 3 378.449 0.343 20 0 GCADHN O=C(Cn1cc(Br)ccc1=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889776455 641878553 /nfs/dbraw/zinc/87/85/53/641878553.db2.gz SMNGLLVWWLXXAT-ZIAGYGMSSA-N 0 3 384.274 0.668 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889774592 641878708 /nfs/dbraw/zinc/87/87/08/641878708.db2.gz IWZBVTACNZFESF-MJBXVCDLSA-N 0 3 387.527 0.473 20 0 GCADHN Cc1cc(Cl)ccc1S(=O)(=O)NCCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924875899 641909617 /nfs/dbraw/zinc/90/96/17/641909617.db2.gz FJMFGZDBEDBBSJ-LBPRGKRZSA-N 0 3 388.877 0.409 20 0 GCADHN CN(C)C[C@H]1NC(=O)N(Cc2nn(C)cc2I)C1=O ZINC000924913442 641909771 /nfs/dbraw/zinc/90/97/71/641909771.db2.gz KOEKCAHDZJPHCT-SECBINFHSA-N 0 3 377.186 0.007 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C)[C@H]2C)CC1 ZINC000925327807 641913568 /nfs/dbraw/zinc/91/35/68/641913568.db2.gz RVGVHSOVUNWBRH-GJZGRUSLSA-N 0 3 376.523 0.161 20 0 GCADHN CCN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926300898 641922217 /nfs/dbraw/zinc/92/22/17/641922217.db2.gz RZGAVKXKZWXOQR-UHFFFAOYSA-N 0 3 397.317 0.819 20 0 GCADHN O=C(C(=O)N1CCNCCNCC1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000926386044 641922739 /nfs/dbraw/zinc/92/27/39/641922739.db2.gz CWEUZKIVXMJMFT-UHFFFAOYSA-N 0 3 385.295 0.900 20 0 GCADHN O=S(=O)(CCNC[C@H](O)COCc1ccc(Cl)cc1)N1CCOCC1 ZINC000818989939 641925679 /nfs/dbraw/zinc/92/56/79/641925679.db2.gz VOZPOWYBSUVFAV-INIZCTEOSA-N 0 3 392.905 0.469 20 0 GCADHN CC(C)(C)OC(=O)NC[C@@](C)(O)CNCCS(=O)(=O)N1CCSCC1 ZINC000819033969 641926559 /nfs/dbraw/zinc/92/65/59/641926559.db2.gz KVZLSLFPXQGVOA-HNNXBMFYSA-N 0 3 397.563 0.230 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC[C@H](O)c1ccccc1Br ZINC000819264543 641933208 /nfs/dbraw/zinc/93/32/08/641933208.db2.gz WWPPKXVXFODMAH-ZDUSSCGKSA-N 0 3 380.308 0.905 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC[C@@H](O)c1cccc(Br)c1 ZINC000819264481 641933254 /nfs/dbraw/zinc/93/32/54/641933254.db2.gz VLCVNKZOYLHWDC-CYBMUJFWSA-N 0 3 380.308 0.905 20 0 GCADHN Cc1ccc(F)c(NC(=O)C(=O)N2CCNCCNCC2)c1Br ZINC000927884206 641938821 /nfs/dbraw/zinc/93/88/21/641938821.db2.gz QZSOCTBGSATNRO-UHFFFAOYSA-N 0 3 387.253 0.857 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2Br)CCN1C ZINC000928458341 641946542 /nfs/dbraw/zinc/94/65/42/641946542.db2.gz WVPKLXLKQHZFGT-QPUJVOFHSA-N 0 3 376.276 0.919 20 0 GCADHN CN(CCCOc1cccc(S(C)(=O)=O)c1)CC1CN(S(C)(=O)=O)C1 ZINC000929417042 641959143 /nfs/dbraw/zinc/95/91/43/641959143.db2.gz VZMZYLDHKSYOEQ-UHFFFAOYSA-N 0 3 390.527 0.682 20 0 GCADHN CN(C)[C@H](CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(F)(F)F ZINC000929465821 641959346 /nfs/dbraw/zinc/95/93/46/641959346.db2.gz YLHBKURCBCIQEK-RISCZKNCSA-N 0 3 384.468 0.539 20 0 GCADHN O=S1(=O)C[C@H](NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)[C@H](N2CCOCC2)C1 ZINC000929984425 641966490 /nfs/dbraw/zinc/96/64/90/641966490.db2.gz SNXQBKBKJFBEAH-FQUUOJAGSA-N 0 3 386.436 0.574 20 0 GCADHN CS[C@H]1CN(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C[C@@H]1N(C)C ZINC000930128242 641969280 /nfs/dbraw/zinc/96/92/80/641969280.db2.gz KCSAMPJJLCBYBP-RYUDHWBXSA-N 0 3 384.468 0.443 20 0 GCADHN C[C@@]1(CC(=O)NCC2(N3CCSCC3)CCCC2)CCS(=O)(=O)N1 ZINC000930213223 641971068 /nfs/dbraw/zinc/97/10/68/641971068.db2.gz HIUROHYVGIMJFV-HNNXBMFYSA-N 0 3 375.560 0.936 20 0 GCADHN CO[C@@H]1CN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@@](C)(CO)C1 ZINC000931469178 641988385 /nfs/dbraw/zinc/98/83/85/641988385.db2.gz AEVBISWJHRNEIZ-SQWLQELKSA-N 0 3 378.535 0.460 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ncc(Br)cn2)CC1 ZINC000931958256 641996258 /nfs/dbraw/zinc/99/62/58/641996258.db2.gz WTSIYMLLUNYTNH-UHFFFAOYSA-N 0 3 384.278 0.865 20 0 GCADHN O=C(CNC(=O)c1cc(=O)[nH]cc1Br)NCCN1CCCCC1 ZINC000821928869 642002790 /nfs/dbraw/zinc/00/27/90/642002790.db2.gz MZXAIMMXZUAVHV-UHFFFAOYSA-N 0 3 385.262 0.882 20 0 GCADHN COC(C)(C)[C@H](C)NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000932367497 642004047 /nfs/dbraw/zinc/00/40/47/642004047.db2.gz NMYWDYPVERPSQX-SOUVJXGZSA-N 0 3 376.519 0.584 20 0 GCADHN CCOC(=O)[C@@H]1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000932650719 642006444 /nfs/dbraw/zinc/00/64/44/642006444.db2.gz YUATZBIGNWIYQZ-ZIAGYGMSSA-N 0 3 376.519 0.873 20 0 GCADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000822780409 642017178 /nfs/dbraw/zinc/01/71/78/642017178.db2.gz IWXYQEZYHMSWSD-XJKSGUPXSA-N 0 3 377.507 0.501 20 0 GCADHN CC(C)N(CCCNC(=O)CNC1([C@H]2CCCCO2)CC1)S(C)(=O)=O ZINC000933378286 642017371 /nfs/dbraw/zinc/01/73/71/642017371.db2.gz MVMVRQSBACIWAD-OAHLLOKOSA-N 0 3 375.535 0.854 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ncc(Br)cn2)CC1 ZINC000934895446 642031524 /nfs/dbraw/zinc/03/15/24/642031524.db2.gz LFNUXCAPRDYKFB-GFCCVEGCSA-N 0 3 382.262 0.618 20 0 GCADHN O=C(c1cc(Br)cn2ncnc12)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000935981969 642046031 /nfs/dbraw/zinc/04/60/31/642046031.db2.gz ASRKHSKXIVQYTI-NWDGAFQWSA-N 0 3 380.246 0.773 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(Cl)n1 ZINC000189590532 642053888 /nfs/dbraw/zinc/05/38/88/642053888.db2.gz YRYDFLBTTUYGJD-UHFFFAOYSA-N 0 3 386.905 0.972 20 0 GCADHN CN(CCCCCCN(C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000247053492 642062480 /nfs/dbraw/zinc/06/24/80/642062480.db2.gz FJCMVBBIXSEQKG-HOTGVXAUSA-N 0 3 380.576 0.785 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Br)n(C)n2)CC1 ZINC000827014232 642067337 /nfs/dbraw/zinc/06/73/37/642067337.db2.gz ZCOBBNCVFQYOCZ-GFCCVEGCSA-N 0 3 384.278 0.561 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000900625238 642096251 /nfs/dbraw/zinc/09/62/51/642096251.db2.gz VRTPURBLMTVAPG-LLVKDONJSA-N 0 3 375.256 0.955 20 0 GCADHN Cc1nn(C)c(Br)c1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000801099676 642113044 /nfs/dbraw/zinc/11/30/44/642113044.db2.gz ZLFBXAJUWZTZAE-GFCCVEGCSA-N 0 3 398.305 0.870 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C(=O)OC)CC1 ZINC000830114180 642131810 /nfs/dbraw/zinc/13/18/10/642131810.db2.gz RNYRAEXKQVICBI-SECBINFHSA-N 0 3 376.353 0.584 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CCS(=O)(=O)CC ZINC000830967005 642149207 /nfs/dbraw/zinc/14/92/07/642149207.db2.gz LYAMXPQDWAVBQV-SECBINFHSA-N 0 3 383.410 0.567 20 0 GCADHN CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(N2CC[NH+](C)CC2)cn1 ZINC000903089739 642171726 /nfs/dbraw/zinc/17/17/26/642171726.db2.gz VWFFQMHLJIBODF-UHFFFAOYSA-N 0 3 375.520 0.998 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)N(C)C[C@H](O)c1cccc(Br)c1 ZINC000840980756 642289670 /nfs/dbraw/zinc/28/96/70/642289670.db2.gz MOQKKMREABQSIS-AWEZNQCLSA-N 0 3 386.290 0.961 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000867264276 642304434 /nfs/dbraw/zinc/30/44/34/642304434.db2.gz GFOYBWRMHFPXEN-HUUCEWRRSA-N 0 3 377.507 0.638 20 0 GCADHN CC(=O)c1cc(S(=O)(=O)NC[C@@H]2CNCCO2)ccc1Br ZINC000842483202 642338262 /nfs/dbraw/zinc/33/82/62/642338262.db2.gz HPWXUQNFHRHZKK-JTQLQIEISA-N 0 3 377.260 0.918 20 0 GCADHN O=C(NC[C@H]1CNCCO1)c1ccc2ncc(I)n2c1 ZINC000842509656 642338537 /nfs/dbraw/zinc/33/85/37/642338537.db2.gz LURQMASCVBKHLZ-SNVBAGLBSA-N 0 3 386.193 0.657 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)c1ccc2ncc(I)n2c1 ZINC000842509655 642338607 /nfs/dbraw/zinc/33/86/07/642338607.db2.gz LURQMASCVBKHLZ-JTQLQIEISA-N 0 3 386.193 0.657 20 0 GCADHN COC[C@]1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)CCC[NH2+]1 ZINC000842859807 642355414 /nfs/dbraw/zinc/35/54/14/642355414.db2.gz UHLUOGRLCIVPBJ-OAHLLOKOSA-N 0 3 378.397 0.798 20 0 GCADHN C[C@@H]1[C@H](C)NCCN1C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000843472211 642371652 /nfs/dbraw/zinc/37/16/52/642371652.db2.gz NFOUSYSQJKERCN-DTWKUNHWSA-N 0 3 383.250 0.101 20 0 GCADHN CN(C[C@](C)(O)CN1CCC[C@H](CS(N)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000844300872 642399929 /nfs/dbraw/zinc/39/99/29/642399929.db2.gz QXVSEHQSXYPIBM-BBRMVZONSA-N 0 3 379.523 0.605 20 0 GCADHN CN(C[C@](C)(O)CN1CCC(CS(N)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000844312666 642400610 /nfs/dbraw/zinc/40/06/10/642400610.db2.gz HKKLUGTXINCXBH-INIZCTEOSA-N 0 3 379.523 0.605 20 0 GCADHN O=C(CCN1C(=O)CCNC1=S)NCC1(N2CCSCC2)CCCC1 ZINC000847338741 642512784 /nfs/dbraw/zinc/51/27/84/642512784.db2.gz FTFFGJZRVOERJU-UHFFFAOYSA-N 0 3 384.571 0.961 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2cccnc2F)C1 ZINC000848967385 642611607 /nfs/dbraw/zinc/61/16/07/642611607.db2.gz ZUDOHWARSWXWKH-LBPRGKRZSA-N 0 3 394.494 0.224 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H](O)c2ccccc2Br)n1 ZINC000851679115 642731642 /nfs/dbraw/zinc/73/16/42/642731642.db2.gz VEELFRBFEZCUIW-GFCCVEGCSA-N 0 3 396.245 0.936 20 0 GCADHN CN(CCn1cnc(Br)n1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000852104195 642751971 /nfs/dbraw/zinc/75/19/71/642751971.db2.gz DENVZSXKGSHJKX-JTQLQIEISA-N 0 3 378.271 0.858 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCn3ncc(Br)c3C1)C2=O ZINC000853600335 642799360 /nfs/dbraw/zinc/79/93/60/642799360.db2.gz WHUHYICZIZLINK-UHFFFAOYSA-N 0 3 397.277 0.435 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCn1cc(Br)cn1 ZINC000854059478 642813501 /nfs/dbraw/zinc/81/35/01/642813501.db2.gz LHFOFDCMKWNORR-UHFFFAOYSA-N 0 3 389.298 0.307 20 0 GCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCCNC(=O)c1ccc(Br)cn1 ZINC000854219102 642818336 /nfs/dbraw/zinc/81/83/36/642818336.db2.gz LQLNGUZTVNCMSI-DGCLKSJQSA-N 0 3 385.262 0.457 20 0 GCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCNC(=O)c1ccc(Br)cn1 ZINC000854219104 642818663 /nfs/dbraw/zinc/81/86/63/642818663.db2.gz LQLNGUZTVNCMSI-WCQYABFASA-N 0 3 385.262 0.457 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000854466288 642829803 /nfs/dbraw/zinc/82/98/03/642829803.db2.gz ABZNLIJDINCYHW-LLVKDONJSA-N 0 3 375.878 0.532 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](CO)CN(C)C)ccc1F ZINC000854466618 642830087 /nfs/dbraw/zinc/83/00/87/642830087.db2.gz HBZAWVJYLWWODS-CYBMUJFWSA-N 0 3 375.466 0.509 20 0 GCADHN CN(CCC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1)C1CCCCC1 ZINC000854592910 642840083 /nfs/dbraw/zinc/84/00/83/642840083.db2.gz UEFQPVCQSNAJIH-UHFFFAOYSA-N 0 3 379.548 0.911 20 0 GCADHN Cn1nc(Br)c2c1ncnc2N1CC(CN2CCN(C)CC2)C1 ZINC000858611595 642961749 /nfs/dbraw/zinc/96/17/49/642961749.db2.gz SBTDRPXKYSRHLB-UHFFFAOYSA-N 0 3 380.294 0.809 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)N2C[C@H]3CCCN3c3ccccc32)CC1 ZINC000047961978 1192165302 /nfs/dbraw/zinc/16/53/02/1192165302.db2.gz CKTYQFJLNUZBME-QGZVFWFLSA-N 0 3 385.512 0.756 20 0 GCADHN CN(Cc1cc(=O)n2nccc2[nH]1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001027499267 1192168403 /nfs/dbraw/zinc/16/84/03/1192168403.db2.gz AJZRAEULYWMDFF-UWGWQUPMSA-N 0 3 397.479 0.869 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN2CCCCC2)cc1 ZINC000652291336 1192179515 /nfs/dbraw/zinc/17/95/15/1192179515.db2.gz OQSOWNYHQOFMKZ-UHFFFAOYSA-N 0 3 382.486 0.478 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)CCCN3C(=O)CCC3=O)cc2)CC1 ZINC000613844421 1192189630 /nfs/dbraw/zinc/18/96/30/1192189630.db2.gz WNUJXDXYIOKVFG-UHFFFAOYSA-N 0 3 386.496 0.979 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1 ZINC000432237255 1192196525 /nfs/dbraw/zinc/19/65/25/1192196525.db2.gz DYPLVWCQNZHSGB-DLBZAZTESA-N 0 3 378.473 0.889 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCc3nc(C)no3)cc2)CC1 ZINC000128507020 1192197168 /nfs/dbraw/zinc/19/71/68/1192197168.db2.gz BLFVJHMSMGXAFX-UHFFFAOYSA-N 0 3 386.456 0.770 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCNC(C)=O)cc2)CC1 ZINC000048736624 1192201920 /nfs/dbraw/zinc/20/19/20/1192201920.db2.gz YHMCXLWJZAQZNF-UHFFFAOYSA-N 0 3 375.473 0.015 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)c1 ZINC000048794328 1192203402 /nfs/dbraw/zinc/20/34/02/1192203402.db2.gz KIBZOZZLNZUIDB-UHFFFAOYSA-N 0 3 396.513 0.914 20 0 GCADHN CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000618474948 1192207620 /nfs/dbraw/zinc/20/76/20/1192207620.db2.gz DWOVCRSQMYKKCF-UHFFFAOYSA-N 0 3 380.514 0.847 20 0 GCADHN NS(=O)(=O)c1cccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000661973403 1192208021 /nfs/dbraw/zinc/20/80/21/1192208021.db2.gz AFYYJUJFDCEKFQ-OAHLLOKOSA-N 0 3 382.486 0.387 20 0 GCADHN O=C(NCCN1C(=O)c2ccccc2C1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661973456 1192208167 /nfs/dbraw/zinc/20/81/67/1192208167.db2.gz AYCRENDVOBNPQU-OAHLLOKOSA-N 0 3 386.452 0.835 20 0 GCADHN Cn1cccc1C(=O)N1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000661976749 1192209988 /nfs/dbraw/zinc/20/99/88/1192209988.db2.gz VVUPKRSOFVRAQC-KRWDZBQOSA-N 0 3 389.500 0.746 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000661975076 1192210266 /nfs/dbraw/zinc/21/02/66/1192210266.db2.gz KXHVEWHKJNRRMJ-QGZVFWFLSA-N 0 3 387.484 0.802 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCN(c2ncc(F)cn2)CC1 ZINC000661980661 1192210714 /nfs/dbraw/zinc/21/07/14/1192210714.db2.gz CWAIJJSPAFYHEM-INIZCTEOSA-N 0 3 378.452 0.701 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N(C)[C@@H]2CCCc3ccccc32)CC1=O ZINC000652391879 1192211121 /nfs/dbraw/zinc/21/11/21/1192211121.db2.gz PYXGDSRWQLYCHN-GOSISDBHSA-N 0 3 386.496 0.755 20 0 GCADHN Cc1cccc([C@@H]2CCCN2C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000652403815 1192213767 /nfs/dbraw/zinc/21/37/67/1192213767.db2.gz PEEQQGTUWSCWLB-SFHVURJKSA-N 0 3 386.496 0.891 20 0 GCADHN CCCN(C[C@H]1CCCCO1)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652435503 1192223055 /nfs/dbraw/zinc/22/30/55/1192223055.db2.gz NFYRRCBDITWLGF-MRXNPFEDSA-N 0 3 382.505 0.027 20 0 GCADHN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000662056134 1192226444 /nfs/dbraw/zinc/22/64/44/1192226444.db2.gz RWZOPZXSQQVEMF-DLBZAZTESA-N 0 3 386.500 0.458 20 0 GCADHN CN1CCN(C(=O)[C@@H]2CCCCN2C)C[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC000652497887 1192234183 /nfs/dbraw/zinc/23/41/83/1192234183.db2.gz OSJULRDZLTWSGG-KURKYZTESA-N 0 3 379.549 0.214 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@H]3Cc3ccccc3)[C@@H]2C1 ZINC000652529919 1192236679 /nfs/dbraw/zinc/23/66/79/1192236679.db2.gz YXJQQUMNTSYQFC-XUVXKRRUSA-N 0 3 384.524 0.924 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)cn1C ZINC000051380781 1192243685 /nfs/dbraw/zinc/24/36/85/1192243685.db2.gz SSQILMJDNQRLDK-OAHLLOKOSA-N 0 3 395.529 0.482 20 0 GCADHN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@]1(C)CO ZINC000662149617 1192245935 /nfs/dbraw/zinc/24/59/35/1192245935.db2.gz OBGXUFDHGJGNLU-VQIMIIECSA-N 0 3 395.525 0.470 20 0 GCADHN Cc1ncc([C@@H](C)NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)s1 ZINC000636675147 1192251942 /nfs/dbraw/zinc/25/19/42/1192251942.db2.gz UYYAPKNNEZIZTH-OCCSQVGLSA-N 0 3 395.529 0.688 20 0 GCADHN Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000670815521 1192255490 /nfs/dbraw/zinc/25/54/90/1192255490.db2.gz MZCCLSCEDAWCQU-UHFFFAOYSA-N 0 3 392.481 0.882 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)CC1=O ZINC000652617692 1192256374 /nfs/dbraw/zinc/25/63/74/1192256374.db2.gz PESJMGLXNQJCDH-PKOBYXMFSA-N 0 3 398.507 0.629 20 0 GCADHN CCOC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CCO1 ZINC000636703187 1192272555 /nfs/dbraw/zinc/27/25/55/1192272555.db2.gz SHOZANUGJHKJEN-SJLPKXTDSA-N 0 3 377.485 0.887 20 0 GCADHN CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)N1CCC[C@H](C)C1)C2 ZINC001719827717 1192280933 /nfs/dbraw/zinc/28/09/33/1192280933.db2.gz XBPYWXMICKRIEJ-YVSFHVDLSA-N 0 3 378.517 0.833 20 0 GCADHN C[C@@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ccn[nH]1 ZINC001719828170 1192284482 /nfs/dbraw/zinc/28/44/82/1192284482.db2.gz OEIPCRRYDQEPTE-ORQFMDKSSA-N 0 3 375.473 0.169 20 0 GCADHN CN1CCN(C(=O)c2ccccc2NC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000626253776 1192294235 /nfs/dbraw/zinc/29/42/35/1192294235.db2.gz ZGWNHHYFRKOWSN-OAHLLOKOSA-N 0 3 375.473 0.262 20 0 GCADHN O=C(CCNC(=O)c1cccc2c1CNC2)N1CCN(c2ncccn2)CC1 ZINC000662437065 1192294604 /nfs/dbraw/zinc/29/46/04/1192294604.db2.gz JDZJCGRLWYEMPZ-UHFFFAOYSA-N 0 3 380.452 0.549 20 0 GCADHN C[C@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C[C@H](CO)O1 ZINC000188628729 1192294721 /nfs/dbraw/zinc/29/47/21/1192294721.db2.gz QXDCQGRGKVMACV-AZUAARDMSA-N 0 3 390.528 0.986 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(N(C)C)CCC1)C2 ZINC001719835416 1192311522 /nfs/dbraw/zinc/31/15/22/1192311522.db2.gz JHJBPLZUPQRIDG-PMPSAXMXSA-N 0 3 378.517 0.881 20 0 GCADHN CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000662525997 1192311043 /nfs/dbraw/zinc/31/10/43/1192311043.db2.gz NUOSJSIFKJFKRH-HNNXBMFYSA-N 0 3 391.497 0.784 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000663394946 1192321082 /nfs/dbraw/zinc/32/10/82/1192321082.db2.gz APGABINZVXBFAC-CYBMUJFWSA-N 0 3 382.486 0.987 20 0 GCADHN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCN1CC[C@H](O)C1 ZINC000636837542 1192326156 /nfs/dbraw/zinc/32/61/56/1192326156.db2.gz LMFCHZDJKDCJQC-HKUYNNGSSA-N 0 3 375.517 0.563 20 0 GCADHN CC[C@@H](C)[C@H](NC(=O)c1cccc2c1CNC2)C(=O)NCCN1CCOCC1 ZINC000662688660 1192327785 /nfs/dbraw/zinc/32/77/85/1192327785.db2.gz QRJLRGRURHONGM-BEFAXECRSA-N 0 3 388.512 0.883 20 0 GCADHN CC[C@H](C)[C@H](NC(=O)c1cccc2c1CNC2)C(=O)NCCN1CCOCC1 ZINC000662688663 1192327909 /nfs/dbraw/zinc/32/79/09/1192327909.db2.gz QRJLRGRURHONGM-KXBFYZLASA-N 0 3 388.512 0.883 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000663451346 1192342177 /nfs/dbraw/zinc/34/21/77/1192342177.db2.gz ISSYITDIYCXXPL-INIZCTEOSA-N 0 3 381.502 0.052 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000636929290 1192342536 /nfs/dbraw/zinc/34/25/36/1192342536.db2.gz NYQLXSIDIQNWBN-NEPJUHHUSA-N 0 3 390.410 0.734 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)cc1-n1cnnn1 ZINC000429803464 1192345967 /nfs/dbraw/zinc/34/59/67/1192345967.db2.gz FVFZWXJGOWXKHC-UHFFFAOYSA-N 0 3 389.460 0.656 20 0 GCADHN CN(C)CCN(C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCCC1 ZINC000429804690 1192349398 /nfs/dbraw/zinc/34/93/98/1192349398.db2.gz GVNBPFAXLIONBC-UHFFFAOYSA-N 0 3 382.486 0.605 20 0 GCADHN NC(=O)c1cccc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)n1 ZINC000543830602 1192349866 /nfs/dbraw/zinc/34/98/66/1192349866.db2.gz OSQRCNMBHRUBJQ-UHFFFAOYSA-N 0 3 395.463 0.936 20 0 GCADHN CN(C1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1)S(C)(=O)=O ZINC000408270308 1192351786 /nfs/dbraw/zinc/35/17/86/1192351786.db2.gz VLZMFABPQHCUTF-UHFFFAOYSA-N 0 3 387.546 0.904 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCCn3ccnc3)C2)CC1 ZINC000585683097 1192365611 /nfs/dbraw/zinc/36/56/11/1192365611.db2.gz ZQIORQRGACKTEA-QGZVFWFLSA-N 0 3 376.505 0.016 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000637021241 1192368208 /nfs/dbraw/zinc/36/82/08/1192368208.db2.gz YPZIMZGOKLCEQP-STQMWFEESA-N 0 3 390.410 0.734 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C2 ZINC001719842656 1192369753 /nfs/dbraw/zinc/36/97/53/1192369753.db2.gz HFGDUDUNUJBTTH-WCVJEAGWSA-N 0 3 378.517 0.833 20 0 GCADHN Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000663517663 1192372401 /nfs/dbraw/zinc/37/24/01/1192372401.db2.gz ZSYYTVSHALJHQP-FHWLQOOXSA-N 0 3 376.501 0.685 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[C@@](C)(C(F)F)O1 ZINC000663537694 1192378432 /nfs/dbraw/zinc/37/84/32/1192378432.db2.gz ZBIBQKFSYAPHJR-GLJUWKHASA-N 0 3 391.459 0.827 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)NCc1cn(C2CC2)c(=O)[nH]c1=O ZINC000893626302 1192379661 /nfs/dbraw/zinc/37/96/61/1192379661.db2.gz WAOCUQKATDZIBP-UHFFFAOYSA-N 0 3 376.457 0.935 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000278932447 1192380226 /nfs/dbraw/zinc/38/02/26/1192380226.db2.gz WIRBSLHCHQUCQI-KXBFYZLASA-N 0 3 399.495 0.818 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000585719093 1192397094 /nfs/dbraw/zinc/39/70/94/1192397094.db2.gz REXDKIJBHQORIW-CABCVRRESA-N 0 3 383.489 0.546 20 0 GCADHN Cc1c(NC[C@@H]2CN(C)CCN2C)ncnc1NC[C@H]1CN(C)CCN1C ZINC000663589532 1192405831 /nfs/dbraw/zinc/40/58/31/1192405831.db2.gz DUKBDRACXJZYGM-CALCHBBNSA-N 0 3 376.553 0.100 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000663613689 1192418389 /nfs/dbraw/zinc/41/83/89/1192418389.db2.gz TYXQTEXVTNBNOI-INIZCTEOSA-N 0 3 384.458 0.264 20 0 GCADHN O=C(C[C@@H]1CNCCO1)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000166849746 1192425829 /nfs/dbraw/zinc/42/58/29/1192425829.db2.gz DBSPOGUGDAHIEN-MRXNPFEDSA-N 0 3 380.876 0.483 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000663640167 1192438891 /nfs/dbraw/zinc/43/88/91/1192438891.db2.gz BYFNEUNVWJBIAP-KRWDZBQOSA-N 0 3 395.529 0.615 20 0 GCADHN CCCNC(=O)c1cccc(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000663639342 1192439215 /nfs/dbraw/zinc/43/92/15/1192439215.db2.gz BFLOAQGFFWNWIN-UHFFFAOYSA-N 0 3 391.516 0.988 20 0 GCADHN O=C(CCN1CCC[C@]2(C1)NC(=O)NC2=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000279026345 1192441824 /nfs/dbraw/zinc/44/18/24/1192441824.db2.gz HHOWLONTTFLZKY-HXUWFJFHSA-N 0 3 399.451 0.816 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000279067456 1192452982 /nfs/dbraw/zinc/45/29/82/1192452982.db2.gz QOUAJKLKGAHMJR-KRWDZBQOSA-N 0 3 397.483 0.715 20 0 GCADHN CCOC(=O)[C@H]1[C@H](NCCNC(=O)c2ccn[nH]2)CCN1C(=O)OC(C)(C)C ZINC000279090492 1192463382 /nfs/dbraw/zinc/46/33/82/1192463382.db2.gz UGNXQXBIGSYLHI-TZMCWYRMSA-N 0 3 395.460 0.670 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2C)CC1 ZINC000279106104 1192467759 /nfs/dbraw/zinc/46/77/59/1192467759.db2.gz RSGINOJFZHVZBK-UHFFFAOYSA-N 0 3 395.891 0.995 20 0 GCADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279135488 1192471420 /nfs/dbraw/zinc/47/14/20/1192471420.db2.gz WSXZHMLLKUNCGW-LDBYXDLTSA-N 0 3 399.495 0.440 20 0 GCADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279135479 1192471737 /nfs/dbraw/zinc/47/17/37/1192471737.db2.gz WSXZHMLLKUNCGW-CEQIKUNHSA-N 0 3 399.495 0.440 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000429804844 1192487353 /nfs/dbraw/zinc/48/73/53/1192487353.db2.gz UOZTZFDKDPSVNS-UHFFFAOYSA-N 0 3 377.489 0.903 20 0 GCADHN C[C@H](O)[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000669215557 1192498423 /nfs/dbraw/zinc/49/84/23/1192498423.db2.gz ZCRBQOHSTHYSRG-HNAYVOBHSA-N 0 3 389.496 0.631 20 0 GCADHN C[C@H](NS(C)(=O)=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000063094864 1192510326 /nfs/dbraw/zinc/51/03/26/1192510326.db2.gz RWQCRWVFMWZCRV-INIZCTEOSA-N 0 3 382.530 0.643 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000663733617 1192516751 /nfs/dbraw/zinc/51/67/51/1192516751.db2.gz FYSLUXPIVPKURA-UHFFFAOYSA-N 0 3 393.488 0.086 20 0 GCADHN CCN1CCC[C@@H](CN(C)C(=O)C(=O)N[C@@H]2CCO[C@@H]2C)[C@@H]1c1cnn(C)c1 ZINC000500450474 1192520724 /nfs/dbraw/zinc/52/07/24/1192520724.db2.gz VPZRZMBWPJIGIY-CYGHRXIMSA-N 0 3 391.516 0.945 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000279376338 1192531695 /nfs/dbraw/zinc/53/16/95/1192531695.db2.gz AGKCZXNOTRSSQP-FQEVSTJZSA-N 0 3 393.484 0.299 20 0 GCADHN Cc1cc(C(=O)NCCCCN2CCN(CCO)CC2)ccc1-n1cncn1 ZINC000432531968 1192535756 /nfs/dbraw/zinc/53/57/56/1192535756.db2.gz QOCYEYDMBUHJCZ-UHFFFAOYSA-N 0 3 386.500 0.696 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@]3(O)CCO[C@H]3C)c2)CC1 ZINC000279420859 1192538958 /nfs/dbraw/zinc/53/89/58/1192538958.db2.gz JGJDNSRPDWFUKZ-MGPUTAFESA-N 0 3 390.484 0.423 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N(CCN(C)C)C1CCCC1 ZINC000429808893 1192541609 /nfs/dbraw/zinc/54/16/09/1192541609.db2.gz NPOIHNHVRMKHDP-UHFFFAOYSA-N 0 3 378.477 0.823 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NC[C@H]3CCSC3)ccc2oc1=O ZINC000279454379 1192542481 /nfs/dbraw/zinc/54/24/81/1192542481.db2.gz CQTMQHYOALPAEO-GFCCVEGCSA-N 0 3 392.481 0.964 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1ccc2c(c1)OCCO2 ZINC000512209521 1192549050 /nfs/dbraw/zinc/54/90/50/1192549050.db2.gz AFHYKWKWIFQOFQ-UHFFFAOYSA-N 0 3 378.473 0.969 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000512215043 1192550300 /nfs/dbraw/zinc/55/03/00/1192550300.db2.gz SJZQDUOFVFAQES-QGZVFWFLSA-N 0 3 392.500 0.516 20 0 GCADHN CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000432548919 1192551140 /nfs/dbraw/zinc/55/11/40/1192551140.db2.gz ZZPLHQSXGHLDIB-SFHVURJKSA-N 0 3 396.576 0.777 20 0 GCADHN COc1cc(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc(OC)c1O ZINC000279557554 1192556749 /nfs/dbraw/zinc/55/67/49/1192556749.db2.gz UWZFOBFZWCIBHJ-HNNXBMFYSA-N 0 3 391.468 0.717 20 0 GCADHN CCN1CCN(CCC(=O)NCc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000512256402 1192579737 /nfs/dbraw/zinc/57/97/37/1192579737.db2.gz ITMWIQWYCYXOJQ-UHFFFAOYSA-N 0 3 376.501 0.797 20 0 GCADHN CNC(=O)C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccccc1 ZINC000888939426 1192603402 /nfs/dbraw/zinc/60/34/02/1192603402.db2.gz OETMQOQIMRLSDK-GOEBONIOSA-N 0 3 375.473 0.625 20 0 GCADHN O=C(CNC[C@H]1CCCO1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000429811988 1192609022 /nfs/dbraw/zinc/60/90/22/1192609022.db2.gz VGBXQTLYGRJODR-MRXNPFEDSA-N 0 3 381.498 0.725 20 0 GCADHN CN(C)[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000279836023 1192609859 /nfs/dbraw/zinc/60/98/59/1192609859.db2.gz ZMPQSZZKZVQHPE-NZSAHSFTSA-N 0 3 385.468 0.738 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000663805502 1192614540 /nfs/dbraw/zinc/61/45/40/1192614540.db2.gz SSUQQSYHZBZOMA-UHFFFAOYSA-N 0 3 389.500 0.627 20 0 GCADHN C[C@@]1(C2CCN(C(=O)NC[C@@H]3NCCc4ccccc43)CC2)NC(=O)NC1=O ZINC000418647370 1192623676 /nfs/dbraw/zinc/62/36/76/1192623676.db2.gz XWNTTYVJWHBVFA-JXFKEZNVSA-N 0 3 385.468 0.893 20 0 GCADHN COCC1(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC[NH2+]CC1 ZINC000418635599 1192624269 /nfs/dbraw/zinc/62/42/69/1192624269.db2.gz FQPFWYQSUYVKRA-UHFFFAOYSA-N 0 3 390.484 0.876 20 0 GCADHN CCOC(=O)c1nc(C2CCN(C(=O)NC[C@@]3(COC)CCC[NH2+]3)CC2)n[n-]1 ZINC000418660662 1192625458 /nfs/dbraw/zinc/62/54/58/1192625458.db2.gz YFEKMLKANWYSKX-GOSISDBHSA-N 0 3 394.476 0.639 20 0 GCADHN CCOC(=O)c1nnc(C2CCN(C(=O)NC[C@@]3(COC)CCC[NH2+]3)CC2)[n-]1 ZINC000418660662 1192625460 /nfs/dbraw/zinc/62/54/60/1192625460.db2.gz YFEKMLKANWYSKX-GOSISDBHSA-N 0 3 394.476 0.639 20 0 GCADHN CCOC(=O)c1nc(C2CCN(C(=O)NC[C@]3(COC)CCC[NH2+]3)CC2)n[n-]1 ZINC000418660663 1192625543 /nfs/dbraw/zinc/62/55/43/1192625543.db2.gz YFEKMLKANWYSKX-SFHVURJKSA-N 0 3 394.476 0.639 20 0 GCADHN CCOC(=O)c1nnc(C2CCN(C(=O)NC[C@]3(COC)CCC[NH2+]3)CC2)[n-]1 ZINC000418660663 1192625544 /nfs/dbraw/zinc/62/55/44/1192625544.db2.gz YFEKMLKANWYSKX-SFHVURJKSA-N 0 3 394.476 0.639 20 0 GCADHN NS(=O)(=O)CCCCS(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC001211716315 1192635370 /nfs/dbraw/zinc/63/53/70/1192635370.db2.gz LTFWDESHVPTOLW-MRXNPFEDSA-N 0 3 389.543 0.497 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000509739911 1192636792 /nfs/dbraw/zinc/63/67/92/1192636792.db2.gz WTFOTHZZSHCGAL-UHFFFAOYSA-N 0 3 396.532 0.465 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000432718193 1192637309 /nfs/dbraw/zinc/63/73/09/1192637309.db2.gz OIAFBXGOLVPOAL-ZIAGYGMSSA-N 0 3 390.550 0.009 20 0 GCADHN CCOC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CNCCO3)CC2)nc1 ZINC000418766522 1192640849 /nfs/dbraw/zinc/64/08/49/1192640849.db2.gz MXLJDTACDVMGGV-HNNXBMFYSA-N 0 3 377.445 0.078 20 0 GCADHN CCOC(=O)c1nnc(-c2cccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)c2)[n-]1 ZINC000418768066 1192640958 /nfs/dbraw/zinc/64/09/58/1192640958.db2.gz OLNNTQMANCTKLP-AWEZNQCLSA-N 0 3 388.428 0.436 20 0 GCADHN O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)NC[C@@H]1CNCCO1 ZINC000418777211 1192642904 /nfs/dbraw/zinc/64/29/04/1192642904.db2.gz YGYQCUOHKPFCCG-JSGCOSHPSA-N 0 3 377.363 0.733 20 0 GCADHN O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)NC[C@H]1CNCCO1 ZINC000418777213 1192643220 /nfs/dbraw/zinc/64/32/20/1192643220.db2.gz YGYQCUOHKPFCCG-TZMCWYRMSA-N 0 3 377.363 0.733 20 0 GCADHN Cc1ccccc1C[C@H](C)NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000418787367 1192644275 /nfs/dbraw/zinc/64/42/75/1192644275.db2.gz UEYPIELMABDXTD-YJBOKZPZSA-N 0 3 384.484 0.956 20 0 GCADHN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)N[C@@H](CO)CN1CCCCC1 ZINC000512394522 1192645216 /nfs/dbraw/zinc/64/52/16/1192645216.db2.gz GDVWDTNOZJHPMQ-WBTNSWJXSA-N 0 3 384.546 0.675 20 0 GCADHN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@H](CO)CN1CCCCC1 ZINC000512394520 1192645344 /nfs/dbraw/zinc/64/53/44/1192645344.db2.gz GDVWDTNOZJHPMQ-JKQORVJESA-N 0 3 384.546 0.675 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccnc(OC2CCC2)c1 ZINC000418807678 1192650729 /nfs/dbraw/zinc/65/07/29/1192650729.db2.gz PZIKKRFZSWSSRT-DOMZBBRYSA-N 0 3 376.457 0.858 20 0 GCADHN COc1cccc(C2(CNC(=O)C(=O)NC[C@H]3CNCCO3)CCCC2)c1 ZINC000418794900 1192645908 /nfs/dbraw/zinc/64/59/08/1192645908.db2.gz QJRKSBUWKWKAOG-QGZVFWFLSA-N 0 3 375.469 0.728 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000418812878 1192652834 /nfs/dbraw/zinc/65/28/34/1192652834.db2.gz CDOVXGPBNUPEQQ-XGUBFFRZSA-N 0 3 380.489 0.123 20 0 GCADHN O=C(CCCNC(=O)C(=O)NC[C@H]1CNCCO1)Nc1ccc(Cl)cc1 ZINC000418810228 1192653378 /nfs/dbraw/zinc/65/33/78/1192653378.db2.gz GUYHOIYJMGMSNN-CQSZACIVSA-N 0 3 382.848 0.280 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000108116572 1192653498 /nfs/dbraw/zinc/65/34/98/1192653498.db2.gz RTWVQQCXAUJLOK-UHFFFAOYSA-N 0 3 389.485 0.858 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)c(OC[C@@H]2CCCO2)c1 ZINC000418822433 1192656447 /nfs/dbraw/zinc/65/64/47/1192656447.db2.gz YEASQYDJEBDUJQ-DLBZAZTESA-N 0 3 391.468 0.274 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827844 1192657341 /nfs/dbraw/zinc/65/73/41/1192657341.db2.gz HIMPOOJYKUDHNQ-UXHICEINSA-N 0 3 396.491 0.820 20 0 GCADHN COCCOc1cc(C)ccc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000418830337 1192659559 /nfs/dbraw/zinc/65/95/59/1192659559.db2.gz UBKARUWXYKNDFZ-ZBFHGGJFSA-N 0 3 393.484 0.866 20 0 GCADHN CS(=O)(=O)C1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)CCC1 ZINC000418835332 1192661391 /nfs/dbraw/zinc/66/13/91/1192661391.db2.gz SQUPTANPAOBWSC-LSDHHAIUSA-N 0 3 379.482 0.023 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418841904 1192663428 /nfs/dbraw/zinc/66/34/28/1192663428.db2.gz ZGKDIJCHEOSSJZ-HOTGVXAUSA-N 0 3 396.532 0.367 20 0 GCADHN Cc1nc(CN2CCC(CNC(=O)C(=O)N3C[C@@H](C)NC[C@@H]3C)CC2)oc1C ZINC000418851928 1192665518 /nfs/dbraw/zinc/66/55/18/1192665518.db2.gz GIGRSCLLZWGTHZ-KGLIPLIRSA-N 0 3 391.516 0.828 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCN(C(=O)C1CCC1)C1CC1 ZINC000418855874 1192668179 /nfs/dbraw/zinc/66/81/79/1192668179.db2.gz NKVKZSZRZBJZOS-CZUORRHYSA-N 0 3 394.516 0.513 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccccc1Cl ZINC000418857163 1192669030 /nfs/dbraw/zinc/66/90/30/1192669030.db2.gz YMQUVAOYMKFIAP-YOEHRIQHSA-N 0 3 396.919 0.944 20 0 GCADHN COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)N(C)C)c1 ZINC000418862285 1192670855 /nfs/dbraw/zinc/67/08/55/1192670855.db2.gz OAHNTHGCUNVVBW-XKQJLSEDSA-N 0 3 392.500 0.643 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000418901688 1192684110 /nfs/dbraw/zinc/68/41/10/1192684110.db2.gz QRGAHNUTUACBGX-SGMGOOAPSA-N 0 3 377.441 0.864 20 0 GCADHN COCCOc1ccccc1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000418921713 1192692016 /nfs/dbraw/zinc/69/20/16/1192692016.db2.gz JRCSYRGRIWHMAL-DZGCQCFKSA-N 0 3 379.457 0.557 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000418959048 1192699926 /nfs/dbraw/zinc/69/99/26/1192699926.db2.gz GSLGUASADQRVHW-WFASDCNBSA-N 0 3 394.447 0.291 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000418954505 1192701354 /nfs/dbraw/zinc/70/13/54/1192701354.db2.gz OEYPZJQOVHYDFB-GXFFZTMASA-N 0 3 375.347 0.867 20 0 GCADHN CC(C)[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc2c(c1)OCCO2 ZINC000418981738 1192709055 /nfs/dbraw/zinc/70/90/55/1192709055.db2.gz GYODPBQTMCHGRL-WMLDXEAASA-N 0 3 377.441 0.376 20 0 GCADHN CC(C)C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCNCC1 ZINC000236617915 1192712607 /nfs/dbraw/zinc/71/26/07/1192712607.db2.gz VLIAPMHQUTVEKH-OAHLLOKOSA-N 0 3 378.498 0.962 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000419009470 1192715333 /nfs/dbraw/zinc/71/53/33/1192715333.db2.gz NKLYSUYQJQALHB-PMACEKPBSA-N 0 3 396.491 0.992 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1-c1cnn(C)c1 ZINC000419005738 1192715738 /nfs/dbraw/zinc/71/57/38/1192715738.db2.gz ZTMFBFXUVGMGDV-GUYCJALGSA-N 0 3 385.468 0.933 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000419012668 1192719302 /nfs/dbraw/zinc/71/93/02/1192719302.db2.gz FXQDIJLYOIANDZ-JJRVBVJISA-N 0 3 392.475 0.997 20 0 GCADHN CSc1ccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000419015908 1192719590 /nfs/dbraw/zinc/71/95/90/1192719590.db2.gz NRXZUTQOFZSWTG-OAHLLOKOSA-N 0 3 388.497 0.939 20 0 GCADHN COc1ccccc1C1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CCCC1 ZINC000419014163 1192720490 /nfs/dbraw/zinc/72/04/90/1192720490.db2.gz CJDCOLHLTAKWTK-OAHLLOKOSA-N 0 3 375.469 0.728 20 0 GCADHN CCOC(=O)c1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419018659 1192721982 /nfs/dbraw/zinc/72/19/82/1192721982.db2.gz HWCOXQHKXSRFDV-WFASDCNBSA-N 0 3 377.441 0.709 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)c1ccccc1 ZINC000419029122 1192730046 /nfs/dbraw/zinc/73/00/46/1192730046.db2.gz YBZHVTFQSXWXIP-QFBILLFUSA-N 0 3 392.525 0.127 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)c1ccccc1 ZINC000419029121 1192730180 /nfs/dbraw/zinc/73/01/80/1192730180.db2.gz YBZHVTFQSXWXIP-LPHOPBHVSA-N 0 3 392.525 0.127 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000419033614 1192733606 /nfs/dbraw/zinc/73/36/06/1192733606.db2.gz LSZBIGIHUJINEU-FPMFFAJLSA-N 0 3 392.431 0.276 20 0 GCADHN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000262576013 1192734632 /nfs/dbraw/zinc/73/46/32/1192734632.db2.gz JNVRJXMTAKKKAK-QGZVFWFLSA-N 0 3 389.477 0.978 20 0 GCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000439201074 1192735095 /nfs/dbraw/zinc/73/50/95/1192735095.db2.gz BYZCJRWROXWGRA-UHFFFAOYSA-N 0 3 398.485 0.559 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N[C@H]3CSc4ccccc43)C2)nn1 ZINC000419038136 1192735874 /nfs/dbraw/zinc/73/58/74/1192735874.db2.gz SWXXTVRTQXONTI-ZFWWWQNUSA-N 0 3 386.481 0.864 20 0 GCADHN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N1CCCNCC1 ZINC000419047851 1192743275 /nfs/dbraw/zinc/74/32/75/1192743275.db2.gz AKOWAZVFTJNJFU-CQSZACIVSA-N 0 3 382.823 0.523 20 0 GCADHN Cc1ccccc1C1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CCOCC1 ZINC000419057990 1192751062 /nfs/dbraw/zinc/75/10/62/1192751062.db2.gz BENIBYLSLXZNIP-MRXNPFEDSA-N 0 3 375.469 0.264 20 0 GCADHN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419057242 1192753570 /nfs/dbraw/zinc/75/35/70/1192753570.db2.gz NQRUVPPNBVLLAM-IUODEOHRSA-N 0 3 376.432 0.469 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000237660363 1192757015 /nfs/dbraw/zinc/75/70/15/1192757015.db2.gz ZVOBKLGMKVGCQR-MRXNPFEDSA-N 0 3 392.481 0.694 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc3[nH]c(=O)oc3c2)CC1=O ZINC000644894242 1192763272 /nfs/dbraw/zinc/76/32/72/1192763272.db2.gz QUYCMPPRZGLLST-ZDUSSCGKSA-N 0 3 376.413 0.442 20 0 GCADHN COCCOc1ccccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000440268886 1192764669 /nfs/dbraw/zinc/76/46/69/1192764669.db2.gz HECGNZPZYCBRJC-UHFFFAOYSA-N 0 3 392.500 0.746 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cccn1 ZINC000419068881 1192765303 /nfs/dbraw/zinc/76/53/03/1192765303.db2.gz MGFSJRNDKQCIGB-WMLDXEAASA-N 0 3 385.468 0.777 20 0 GCADHN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)N1CCCNCC1 ZINC000419070338 1192766273 /nfs/dbraw/zinc/76/62/73/1192766273.db2.gz VDXFPNRMKVXTOE-AWEZNQCLSA-N 0 3 382.823 0.523 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccnc1)Cc1ccccc1 ZINC000106272225 1192766625 /nfs/dbraw/zinc/76/66/25/1192766625.db2.gz MLKYURIJUIFZLS-QGZVFWFLSA-N 0 3 390.509 0.991 20 0 GCADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H](N)c2ccccc2)C1=O ZINC000419073420 1192769318 /nfs/dbraw/zinc/76/93/18/1192769318.db2.gz YGCAQVUACDGCOW-HOTGVXAUSA-N 0 3 396.447 0.733 20 0 GCADHN CC(C)[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000410628747 1192771543 /nfs/dbraw/zinc/77/15/43/1192771543.db2.gz YTMWRWIKLFVXDT-IRXDYDNUSA-N 0 3 378.517 0.646 20 0 GCADHN CCC[C@@H]1CN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CCN1CCOC ZINC000500772219 1192776057 /nfs/dbraw/zinc/77/60/57/1192776057.db2.gz PMYZWOFHNHFOKL-GOSISDBHSA-N 0 3 397.564 0.681 20 0 GCADHN C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCNC(C)(C)C3)c2)CCO1 ZINC000419079001 1192776455 /nfs/dbraw/zinc/77/64/55/1192776455.db2.gz UAXABSLPEUBEPD-INIZCTEOSA-N 0 3 388.512 0.734 20 0 GCADHN CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000410637536 1192777430 /nfs/dbraw/zinc/77/74/30/1192777430.db2.gz CIZMEVFLOFHQBH-KRWDZBQOSA-N 0 3 394.560 0.888 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCc2cccc(OC)c2CC1 ZINC000509723160 1192780074 /nfs/dbraw/zinc/78/00/74/1192780074.db2.gz DCVLWELEBDVDRO-UHFFFAOYSA-N 0 3 377.485 0.707 20 0 GCADHN CN(CCCN(C)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1)Cc1ccco1 ZINC000410644129 1192784943 /nfs/dbraw/zinc/78/49/43/1192784943.db2.gz QRGUDELTIVIJNF-INIZCTEOSA-N 0 3 378.473 0.103 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000419090134 1192781246 /nfs/dbraw/zinc/78/12/46/1192781246.db2.gz BAEUUJPGOZJATK-MFKMUULPSA-N 0 3 391.403 0.721 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000419090543 1192781395 /nfs/dbraw/zinc/78/13/95/1192781395.db2.gz BVGLCPSALUGSBD-MRXNPFEDSA-N 0 3 399.488 0.739 20 0 GCADHN C[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)[C@@H]1CN ZINC000419097893 1192784957 /nfs/dbraw/zinc/78/49/57/1192784957.db2.gz QFIVEAQWVHEWSL-SWLSCSKDSA-N 0 3 385.461 0.301 20 0 GCADHN COC(=O)COc1cccc(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)c1 ZINC000419091021 1192781769 /nfs/dbraw/zinc/78/17/69/1192781769.db2.gz SEGLBDUHKRTYCE-KRWDZBQOSA-N 0 3 385.420 0.671 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000419086994 1192784030 /nfs/dbraw/zinc/78/40/30/1192784030.db2.gz PBCVYGUYVLFCOL-BARDWOONSA-N 0 3 384.521 0.220 20 0 GCADHN CCC[C@@H]1CNCCN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000419104208 1192791730 /nfs/dbraw/zinc/79/17/30/1192791730.db2.gz ACHBRUVBIQCXRH-QGZVFWFLSA-N 0 3 388.516 0.050 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419093007 1192787613 /nfs/dbraw/zinc/78/76/13/1192787613.db2.gz WWJZFWNVRMNKBP-OSAQELSMSA-N 0 3 385.461 0.018 20 0 GCADHN C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419093529 1192787638 /nfs/dbraw/zinc/78/76/38/1192787638.db2.gz YGJUDOIAUDUDQX-LRDDRELGSA-N 0 3 377.466 0.505 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)c1ccc(F)cc1 ZINC000419104096 1192791627 /nfs/dbraw/zinc/79/16/27/1192791627.db2.gz MHKBANIUIYGBOO-GUYCJALGSA-N 0 3 388.447 0.959 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000419118765 1192792985 /nfs/dbraw/zinc/79/29/85/1192792985.db2.gz RLYPZFDPFAWADB-RHSMWYFYSA-N 0 3 385.468 0.760 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC(=O)N1C ZINC000410666509 1192798474 /nfs/dbraw/zinc/79/84/74/1192798474.db2.gz FFKICRSUOZOVHG-HFTRVMKXSA-N 0 3 387.484 0.222 20 0 GCADHN COc1cc2c(cc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)O[C@@H](C)C2 ZINC000419119062 1192803691 /nfs/dbraw/zinc/80/36/91/1192803691.db2.gz AUBZKFHQEOHNDS-ZOWXZIJZSA-N 0 3 391.468 0.864 20 0 GCADHN C[C@@H]1CCC[C@H](C)N(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000410668808 1192803756 /nfs/dbraw/zinc/80/37/56/1192803756.db2.gz NNAGAWYZZHZEHE-IXDOHACOSA-N 0 3 378.517 0.789 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCc3ccccc3Cl)C2)nn1 ZINC000419137044 1192809377 /nfs/dbraw/zinc/80/93/77/1192809377.db2.gz DCCMVFCNYQQGOB-OAHLLOKOSA-N 0 3 390.875 0.913 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000419154241 1192811904 /nfs/dbraw/zinc/81/19/04/1192811904.db2.gz QBCDPLVQJHBICU-DOTOQJQBSA-N 0 3 399.495 0.971 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)cc1 ZINC000432852223 1192814561 /nfs/dbraw/zinc/81/45/61/1192814561.db2.gz QNXHBOPXYOMFNA-GOSISDBHSA-N 0 3 394.541 0.675 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H](N)c2ccccc2)cc1F ZINC000419176011 1192828583 /nfs/dbraw/zinc/82/85/83/1192828583.db2.gz YBWHRJMOWRQWSY-QGZVFWFLSA-N 0 3 386.427 0.796 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)[C@H](C)CCSC)CC1 ZINC000410689758 1192829947 /nfs/dbraw/zinc/82/99/47/1192829947.db2.gz CXFZKHILNREOOD-OAHLLOKOSA-N 0 3 386.562 0.599 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000500861292 1192846064 /nfs/dbraw/zinc/84/60/64/1192846064.db2.gz IHBXGUNPAJMKJS-HDMKZQKVSA-N 0 3 392.504 0.492 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000419205570 1192851718 /nfs/dbraw/zinc/85/17/18/1192851718.db2.gz JGUMATPUNZCJSF-CGTJXYLNSA-N 0 3 388.512 0.996 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000419205501 1192853004 /nfs/dbraw/zinc/85/30/04/1192853004.db2.gz LGEOGBXOKYMVJO-ZFWWWQNUSA-N 0 3 375.473 0.527 20 0 GCADHN CCN(CC)CC(=O)N1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000728929874 1192859913 /nfs/dbraw/zinc/85/99/13/1192859913.db2.gz BEIKZNDROKOKPA-ZDUSSCGKSA-N 0 3 395.529 0.660 20 0 GCADHN CCN1CCN(c2cc(C(N)=O)nc(N3CCN(CC)C[C@H]3C)n2)[C@H](C)C1 ZINC000893825233 1192863972 /nfs/dbraw/zinc/86/39/72/1192863972.db2.gz CUTLZNVEKVCWEQ-HUUCEWRRSA-N 0 3 375.521 0.636 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000728930568 1192862720 /nfs/dbraw/zinc/86/27/20/1192862720.db2.gz XUWBVTVGUINLOU-UHFFFAOYSA-N 0 3 396.532 0.274 20 0 GCADHN COc1cccc(C[C@H](O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000473310445 1192864200 /nfs/dbraw/zinc/86/42/00/1192864200.db2.gz PSSSDNKHMUMHGE-ROUUACIJSA-N 0 3 377.485 0.658 20 0 GCADHN C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)C(=O)NCCN1CCCCC1 ZINC000549726724 1192864228 /nfs/dbraw/zinc/86/42/28/1192864228.db2.gz MGNSWOHDCCHXTL-KGLIPLIRSA-N 0 3 380.514 0.973 20 0 GCADHN COc1cccc(C[C@@H](O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000473310446 1192864341 /nfs/dbraw/zinc/86/43/41/1192864341.db2.gz PSSSDNKHMUMHGE-ZWKOTPCHSA-N 0 3 377.485 0.658 20 0 GCADHN CCN1CC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H]1CCN1CC ZINC000893873873 1192870491 /nfs/dbraw/zinc/87/04/91/1192870491.db2.gz RNARCXDRFXQTEK-IYBDPMFKSA-N 0 3 382.549 0.981 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[S@@](=O)[C@@H](C)C3)c2)CC1 ZINC000473381143 1192882973 /nfs/dbraw/zinc/88/29/73/1192882973.db2.gz YQJUNYWCWXMMHW-KUNJGFBQSA-N 0 3 392.525 0.746 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCn4cnnc4C3)c2)CC1 ZINC000473379208 1192882665 /nfs/dbraw/zinc/88/26/65/1192882665.db2.gz LEXWJIKMKYWGAW-UHFFFAOYSA-N 0 3 383.456 0.401 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)NCc2nnc3ccccn32)CC1 ZINC000549800823 1192886311 /nfs/dbraw/zinc/88/63/11/1192886311.db2.gz UOVRFZHAXQNKFU-UHFFFAOYSA-N 0 3 395.423 0.098 20 0 GCADHN CCOc1cccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)c1OC(F)F ZINC000419209403 1192888617 /nfs/dbraw/zinc/88/86/17/1192888617.db2.gz WTGKCGQMONRPAE-GFCCVEGCSA-N 0 3 387.383 0.408 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3cnc(C)[nH]c3=O)c2)CC1 ZINC000473401549 1192888692 /nfs/dbraw/zinc/88/86/92/1192888692.db2.gz BQLWEKUAOMHHAP-UHFFFAOYSA-N 0 3 398.467 0.887 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](CO)OC[C@@H]3C)c2)CC1 ZINC000473408928 1192891085 /nfs/dbraw/zinc/89/10/85/1192891085.db2.gz QRDGQAMTNYANJI-YJBOKZPZSA-N 0 3 390.484 0.375 20 0 GCADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)CCN1C ZINC000410731056 1192896825 /nfs/dbraw/zinc/89/68/25/1192896825.db2.gz FDKPHQREWINHDM-AEFFLSMTSA-N 0 3 380.533 0.497 20 0 GCADHN CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCN(CCOCCNC(C)=O)C1 ZINC001481770834 1192900033 /nfs/dbraw/zinc/90/00/33/1192900033.db2.gz MWYXWUOCOXQUAY-QKDSSNGWSA-N 0 3 379.501 0.485 20 0 GCADHN CC(=O)N1CC[C@H](CN(C)[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000246203993 1192900909 /nfs/dbraw/zinc/90/09/09/1192900909.db2.gz DWCWXJJLNKAXSC-NVXWUHKLSA-N 0 3 390.484 0.753 20 0 GCADHN C[C@H]1CCC[C@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000575238499 1192901817 /nfs/dbraw/zinc/90/18/17/1192901817.db2.gz IFRGODIBAQDZPQ-ROUUACIJSA-N 0 3 382.549 0.578 20 0 GCADHN O=C(CNC(=O)NCCCCN1CCN(CCO)CC1)Nc1ccc(F)cc1 ZINC000512586932 1192912573 /nfs/dbraw/zinc/91/25/73/1192912573.db2.gz JOXCYZBZKAYMTB-UHFFFAOYSA-N 0 3 395.479 0.454 20 0 GCADHN CN(CC(=O)N[C@H]1CCN2CCCC[C@H]12)C1=NS(=O)(=O)c2ccccc21 ZINC000046998180 1192912767 /nfs/dbraw/zinc/91/27/67/1192912767.db2.gz UPXJFKUPPKHDJS-LSDHHAIUSA-N 0 3 376.482 0.810 20 0 GCADHN CCN(C(=O)C(=O)N1CCO[C@H](CN(C)C)C1)[C@H](COC)Cc1ccccc1 ZINC000410882591 1192912926 /nfs/dbraw/zinc/91/29/26/1192912926.db2.gz JBNSIQZLMRTOFT-RBUKOAKNSA-N 0 3 391.512 0.882 20 0 GCADHN CCSCC[C@@H](C)N(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410919296 1192915309 /nfs/dbraw/zinc/91/53/09/1192915309.db2.gz LUTBGXKQRCEMRD-HZPDHXFCSA-N 0 3 398.573 0.742 20 0 GCADHN CCSCC[C@@H](C)N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000410932889 1192916818 /nfs/dbraw/zinc/91/68/18/1192916818.db2.gz VJLULZZJPCOCJK-MRXNPFEDSA-N 0 3 398.573 0.743 20 0 GCADHN COC[C@@H](C)n1ccc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000432966992 1192920595 /nfs/dbraw/zinc/92/05/95/1192920595.db2.gz WCSWWJYVPMSXGQ-CABCVRRESA-N 0 3 380.493 1.155 20 0 GCADHN CNC(=O)c1cccc(CNC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000512620148 1192920711 /nfs/dbraw/zinc/92/07/11/1192920711.db2.gz OXMATFLMKZSISU-UHFFFAOYSA-N 0 3 391.516 0.236 20 0 GCADHN CCOCCN1CCN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C[C@@H]1CC ZINC000410971877 1192921147 /nfs/dbraw/zinc/92/11/47/1192921147.db2.gz HIEUVSNJTNUAAY-OKZBNKHCSA-N 0 3 380.533 0.498 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4[C@H](C3)OCCN4Cc3ccccc3)C[C@@H]21 ZINC000410969342 1192921233 /nfs/dbraw/zinc/92/12/33/1192921233.db2.gz FLYWMVYTDATMNJ-WCIQWLHISA-N 0 3 398.507 0.261 20 0 GCADHN CC(C)CC(=O)N1CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000663888651 1192921406 /nfs/dbraw/zinc/92/14/06/1192921406.db2.gz QTXARVBKRYQWLH-UHFFFAOYSA-N 0 3 383.537 0.685 20 0 GCADHN CCN(CCNCC(=O)N1CCC[C@@H](C)C1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268470221 1192922392 /nfs/dbraw/zinc/92/23/92/1192922392.db2.gz ZJBZWOBNIVYYHL-VUHPKUFZSA-N 0 3 381.517 0.735 20 0 GCADHN O=C(CCNC(=O)NCCCCN1CCN(CCO)CC1)N1CCCCCC1 ZINC000512622794 1192924713 /nfs/dbraw/zinc/92/47/13/1192924713.db2.gz CDROPFXUYLTCBI-UHFFFAOYSA-N 0 3 397.564 0.468 20 0 GCADHN COC(=O)COc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000274490645 1184075661 /nfs/dbraw/zinc/07/56/61/1184075661.db2.gz SIWYREZYEMCYDP-CABCVRRESA-N 0 3 391.468 0.968 20 0 GCADHN CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCCN(CC)CCO)cc1 ZINC000274496492 1184077237 /nfs/dbraw/zinc/07/72/37/1184077237.db2.gz UFWOBYKBMHLSCW-AWEZNQCLSA-N 0 3 378.473 0.584 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000274501696 1184079192 /nfs/dbraw/zinc/07/91/92/1184079192.db2.gz FAJSGGWYHYONRF-CVEARBPZSA-N 0 3 383.489 0.399 20 0 GCADHN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000274507695 1184080894 /nfs/dbraw/zinc/08/08/94/1184080894.db2.gz WOSJVBNPYNUMTL-CYBMUJFWSA-N 0 3 392.500 0.997 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000274510637 1184082264 /nfs/dbraw/zinc/08/22/64/1184082264.db2.gz WOGWRCOULQHMCM-UHFFFAOYSA-N 0 3 377.363 0.997 20 0 GCADHN CCOc1cc2c(cc1NC(=O)C(=O)NCCN(CC)CCO)O[C@@H](C)C2 ZINC000274514222 1184083138 /nfs/dbraw/zinc/08/31/38/1184083138.db2.gz XITQILANUCWVBU-ZDUSSCGKSA-N 0 3 379.457 0.778 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000274517418 1184084296 /nfs/dbraw/zinc/08/42/96/1184084296.db2.gz XTFOEDSFUHOWNH-UHFFFAOYSA-N 0 3 391.497 0.940 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000274521143 1184085296 /nfs/dbraw/zinc/08/52/96/1184085296.db2.gz NFPHTWNOQNLQTI-CQSZACIVSA-N 0 3 376.457 0.539 20 0 GCADHN COC(=O)c1c(F)cccc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000274524059 1184085923 /nfs/dbraw/zinc/08/59/23/1184085923.db2.gz OAZBERWZEPLRHS-ZDUSSCGKSA-N 0 3 394.447 0.693 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)c2)CC1 ZINC000274526833 1184087449 /nfs/dbraw/zinc/08/74/49/1184087449.db2.gz OTCLEFJKDVCEQP-CQSZACIVSA-N 0 3 388.390 0.806 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000579694021 1184092855 /nfs/dbraw/zinc/09/28/55/1184092855.db2.gz VAPCJFKABVEBHB-KZNAEPCWSA-N 0 3 382.549 0.696 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)CCS(C)(=O)=O)c2)CC1 ZINC000274544163 1184093485 /nfs/dbraw/zinc/09/34/85/1184093485.db2.gz SJJSNLUOZRGVDH-UHFFFAOYSA-N 0 3 396.513 0.270 20 0 GCADHN CCN(CCO)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000274549472 1184095249 /nfs/dbraw/zinc/09/52/49/1184095249.db2.gz MLXQXTRXUARPHS-IBGZPJMESA-N 0 3 376.457 0.192 20 0 GCADHN COC(=O)Cc1cccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000274548856 1184095333 /nfs/dbraw/zinc/09/53/33/1184095333.db2.gz UMQXYMDRAXRLMI-HNNXBMFYSA-N 0 3 390.484 0.483 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000274551047 1184095839 /nfs/dbraw/zinc/09/58/39/1184095839.db2.gz UVKOIJVOJIOYAJ-HNNXBMFYSA-N 0 3 389.500 0.596 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)CNS(=O)(=O)CCCOC)c2)CC1 ZINC000274552560 1184096875 /nfs/dbraw/zinc/09/68/75/1184096875.db2.gz HLCMFDBMXZTERF-UHFFFAOYSA-N 0 3 398.529 0.723 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000274555130 1184097734 /nfs/dbraw/zinc/09/77/34/1184097734.db2.gz IAEQJEUUXDPSPZ-OAHLLOKOSA-N 0 3 382.530 0.743 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCSCCCO)c2)CC1 ZINC000274557885 1184098542 /nfs/dbraw/zinc/09/85/42/1184098542.db2.gz WMGGEYDOTINBPH-UHFFFAOYSA-N 0 3 394.541 0.999 20 0 GCADHN CCN(CCO)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000274561283 1184099782 /nfs/dbraw/zinc/09/97/82/1184099782.db2.gz PDGBSUYAQDYRCF-GOSISDBHSA-N 0 3 380.420 0.023 20 0 GCADHN CCOC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000274565930 1184100834 /nfs/dbraw/zinc/10/08/34/1184100834.db2.gz YGABCRKDGHKVON-HNNXBMFYSA-N 0 3 390.484 0.944 20 0 GCADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000274563988 1184100956 /nfs/dbraw/zinc/10/09/56/1184100956.db2.gz XXICFOSNPFVFPM-HNNXBMFYSA-N 0 3 390.484 0.862 20 0 GCADHN CNS(=O)(=O)C1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000274579598 1184109399 /nfs/dbraw/zinc/10/93/99/1184109399.db2.gz HFHAMBFAJLEQNJ-KRWDZBQOSA-N 0 3 382.530 0.419 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000274621032 1184124005 /nfs/dbraw/zinc/12/40/05/1184124005.db2.gz FVPVQZJWWQYHAS-KRWDZBQOSA-N 0 3 394.472 0.423 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000579745766 1184125041 /nfs/dbraw/zinc/12/50/41/1184125041.db2.gz FEXRZMHEDYDSJQ-INIZCTEOSA-N 0 3 379.530 0.778 20 0 GCADHN CCN1CCCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000654761311 1184126204 /nfs/dbraw/zinc/12/62/04/1184126204.db2.gz VBRNFFGOTNKRJY-RDJZCZTQSA-N 0 3 399.488 0.504 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000274642873 1184138780 /nfs/dbraw/zinc/13/87/80/1184138780.db2.gz KKSYBPJFPYSKAP-DOTOQJQBSA-N 0 3 384.427 0.850 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000274649064 1184143797 /nfs/dbraw/zinc/14/37/97/1184143797.db2.gz WKVHIACNCRWRIU-XOBRGWDASA-N 0 3 387.484 0.497 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccnc2OC(C)C)CC1 ZINC000616368550 1184147263 /nfs/dbraw/zinc/14/72/63/1184147263.db2.gz UEUFAHWVJQTNJZ-HNNXBMFYSA-N 0 3 377.489 0.950 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)CCC(=O)NCCNC(C)=O)c2)CC1 ZINC000274653508 1184150251 /nfs/dbraw/zinc/15/02/51/1184150251.db2.gz XBQSSTYDMCJSQE-UHFFFAOYSA-N 0 3 389.500 0.800 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCCC[C@@H]1CNS(C)(=O)=O)c1ccccc1 ZINC000274680313 1184182297 /nfs/dbraw/zinc/18/22/97/1184182297.db2.gz WRHXZCXOYJIEIH-QZTJIDSGSA-N 0 3 396.557 0.809 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688732 1184186165 /nfs/dbraw/zinc/18/61/65/1184186165.db2.gz ZKETVMLRGCYSIK-AEFFLSMTSA-N 0 3 396.557 0.667 20 0 GCADHN CCN1CCN(CCC(=O)N[C@H](C(=O)OC)c2ccc(OC)c(O)c2)CC1 ZINC000274689030 1184186276 /nfs/dbraw/zinc/18/62/76/1184186276.db2.gz LCFBXNCKPDPHMQ-SFHVURJKSA-N 0 3 379.457 0.759 20 0 GCADHN COc1ncc(CN[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c(C)n1 ZINC001020422738 1184190074 /nfs/dbraw/zinc/19/00/74/1184190074.db2.gz APFYJAFIUHHGJE-QUSNUVHPSA-N 0 3 376.457 0.582 20 0 GCADHN O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1O)c1ccn2cncc2c1 ZINC000969223935 1184207569 /nfs/dbraw/zinc/20/75/69/1184207569.db2.gz XFSQBVMCOOOUGV-SRABZTEZSA-N 0 3 380.408 0.163 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000890533904 1184212879 /nfs/dbraw/zinc/21/28/79/1184212879.db2.gz WPMYZZGSAOEKDI-HNNXBMFYSA-N 0 3 375.473 0.912 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000654945565 1184217622 /nfs/dbraw/zinc/21/76/22/1184217622.db2.gz CDSCNDNFBNMCQH-HUUCEWRRSA-N 0 3 376.461 0.043 20 0 GCADHN O=C(Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654948690 1184219480 /nfs/dbraw/zinc/21/94/80/1184219480.db2.gz FPFFOXDOUMQAQQ-JZXOWHBKSA-N 0 3 386.452 0.983 20 0 GCADHN O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654947901 1184219966 /nfs/dbraw/zinc/21/99/66/1184219966.db2.gz WNVUNTZBGKEGBS-GDBMZVCRSA-N 0 3 387.419 0.873 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000654949484 1184220798 /nfs/dbraw/zinc/22/07/98/1184220798.db2.gz VNBJQTOHBLICLF-JKSUJKDBSA-N 0 3 394.497 0.666 20 0 GCADHN O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654949526 1184221132 /nfs/dbraw/zinc/22/11/32/1184221132.db2.gz VZBNIHHJOCINIB-RYRKJORJSA-N 0 3 386.452 0.983 20 0 GCADHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)NC(=O)NCc1ccccc1 ZINC000510075475 1184232596 /nfs/dbraw/zinc/23/25/96/1184232596.db2.gz ZTVMUSPGPGVNSM-GFCCVEGCSA-N 0 3 377.474 0.741 20 0 GCADHN CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000274745719 1184242776 /nfs/dbraw/zinc/24/27/76/1184242776.db2.gz GDIQOCLPELNYLR-UHFFFAOYSA-N 0 3 389.500 0.670 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](O)C1)N1CCCC1 ZINC000969310703 1184250505 /nfs/dbraw/zinc/25/05/05/1184250505.db2.gz GVQFPPOMUPQIOC-MLHJIOFPSA-N 0 3 393.528 0.611 20 0 GCADHN CCc1c(NC(=O)C(=O)NCCN2CCN(CC)CC2)cnn1CC(C)C ZINC000153589214 1184253296 /nfs/dbraw/zinc/25/32/96/1184253296.db2.gz XPRZMAVMFDQUMN-UHFFFAOYSA-N 0 3 378.521 0.794 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC000655074298 1184276099 /nfs/dbraw/zinc/27/60/99/1184276099.db2.gz NXFVTMMYIZLMRG-IBGZPJMESA-N 0 3 381.423 0.988 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)C2)cc1 ZINC000655093251 1184281560 /nfs/dbraw/zinc/28/15/60/1184281560.db2.gz CNWSLKWWPGRXPO-SZMVWBNQSA-N 0 3 395.525 0.529 20 0 GCADHN O=S(=O)(CCNCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1 ZINC000579827332 1184300761 /nfs/dbraw/zinc/30/07/61/1184300761.db2.gz LKQPPPWULOQTBD-UHFFFAOYSA-N 0 3 393.488 0.801 20 0 GCADHN CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000683219990 1184301306 /nfs/dbraw/zinc/30/13/06/1184301306.db2.gz IPUZKMQRMKKRSM-ZWKOTPCHSA-N 0 3 395.525 0.818 20 0 GCADHN Cn1cnc2c1c(=O)n(CCCN1CCC(Oc3ccccn3)CC1)c(=O)n2C ZINC000471163480 1184309604 /nfs/dbraw/zinc/30/96/04/1184309604.db2.gz WTOOKBXDQIGEAS-UHFFFAOYSA-N 0 3 398.467 0.762 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)CCS2 ZINC000890601817 1184320255 /nfs/dbraw/zinc/32/02/55/1184320255.db2.gz FLTRNAXURACPJF-MLBPIDQTSA-N 0 3 397.541 0.730 20 0 GCADHN CCCN1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2C1 ZINC000579854433 1184341406 /nfs/dbraw/zinc/34/14/06/1184341406.db2.gz YXCGCTYBCOOBEJ-GDBMZVCRSA-N 0 3 385.468 0.121 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000655274165 1184347082 /nfs/dbraw/zinc/34/70/82/1184347082.db2.gz YINRBZNTZRYWKF-QGZVFWFLSA-N 0 3 380.533 0.500 20 0 GCADHN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccco1 ZINC000655300543 1184362699 /nfs/dbraw/zinc/36/26/99/1184362699.db2.gz QLCRHXORVIAANF-KSZLIROESA-N 0 3 383.448 0.898 20 0 GCADHN CC(=O)N[C@H](CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000579860353 1184379378 /nfs/dbraw/zinc/37/93/78/1184379378.db2.gz DLHCMMOWWUQKNN-HRCADAONSA-N 0 3 378.860 0.678 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OCC ZINC000579860271 1184379466 /nfs/dbraw/zinc/37/94/66/1184379466.db2.gz BHUFUKSJTPPZPF-JSGCOSHPSA-N 0 3 383.470 0.417 20 0 GCADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655352425 1184386711 /nfs/dbraw/zinc/38/67/11/1184386711.db2.gz ZFEXSLLTRXIGJA-KHYOSLBOSA-N 0 3 392.500 0.735 20 0 GCADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655352424 1184387331 /nfs/dbraw/zinc/38/73/31/1184387331.db2.gz ZFEXSLLTRXIGJA-DOXZYTNZSA-N 0 3 392.500 0.735 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655353800 1184388311 /nfs/dbraw/zinc/38/83/11/1184388311.db2.gz WFDUGTPKIAJGSP-ZBFHGGJFSA-N 0 3 384.502 0.686 20 0 GCADHN CNC(=O)[C@]1(C)CCN(CC(=O)NCc2cc(OC)c(OC)cc2OC)C1 ZINC000430257030 1184390858 /nfs/dbraw/zinc/39/08/58/1184390858.db2.gz ZLYBBJIPQSOCGA-LJQANCHMSA-N 0 3 379.457 0.787 20 0 GCADHN CNC(=O)[C@]1(C)CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000430259714 1184394937 /nfs/dbraw/zinc/39/49/37/1184394937.db2.gz QTQCGSLQIJKHBR-OAQYLSRUSA-N 0 3 386.496 0.883 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)CC1=O ZINC000579869811 1184420917 /nfs/dbraw/zinc/42/09/17/1184420917.db2.gz WKLCCNFEZWYONZ-MRXNPFEDSA-N 0 3 388.468 0.480 20 0 GCADHN C[C@H](CNC(=O)CS(=O)(=O)NC1CCC(C)CC1)CN1CCN(C)CC1 ZINC000109363986 1184453074 /nfs/dbraw/zinc/45/30/74/1184453074.db2.gz ZGFSRQRFTFYOGK-AQFXKWCLSA-N 0 3 388.578 0.484 20 0 GCADHN COCCNc1nc(NC[C@H]2CC[C@@H](C)O2)nc(NC[C@@H]2CC[C@H](C)O2)n1 ZINC000413373017 1184481679 /nfs/dbraw/zinc/48/16/79/1184481679.db2.gz GQOQIGAOWOQFCP-NMWPEEMBSA-N 0 3 380.493 0.154 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C(N)=O)c(C)c2)CC1 ZINC000510158387 1184486867 /nfs/dbraw/zinc/48/68/67/1184486867.db2.gz GSPXHYYRYIJMFN-AWEZNQCLSA-N 0 3 375.473 0.175 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000275114106 1184520402 /nfs/dbraw/zinc/52/04/02/1184520402.db2.gz HNIZRLIIYZMMRT-UHFFFAOYSA-N 0 3 391.447 0.403 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC000748091954 1184522561 /nfs/dbraw/zinc/52/25/61/1184522561.db2.gz SWENACLLRVZSFN-UHFFFAOYSA-N 0 3 384.521 0.718 20 0 GCADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)C1CCCC1 ZINC000655548103 1184528576 /nfs/dbraw/zinc/52/85/76/1184528576.db2.gz HNPYBYSIVKLKDX-GOEBONIOSA-N 0 3 387.550 0.477 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000471260981 1184564478 /nfs/dbraw/zinc/56/44/78/1184564478.db2.gz FVZOTABGQUHBEZ-IUODEOHRSA-N 0 3 384.502 0.624 20 0 GCADHN CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000043238483 1184578225 /nfs/dbraw/zinc/57/82/25/1184578225.db2.gz BQNOIWBIEITPIP-KRWDZBQOSA-N 0 3 395.529 0.395 20 0 GCADHN CSC1(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCN(C)CC1 ZINC000579890269 1184611476 /nfs/dbraw/zinc/61/14/76/1184611476.db2.gz LVKRGGQIVIIDQV-UHFFFAOYSA-N 0 3 398.510 0.322 20 0 GCADHN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@H](CN(C)C)C1 ZINC000155339374 1184619952 /nfs/dbraw/zinc/61/99/52/1184619952.db2.gz IEGANBVRYUNGOD-JKSUJKDBSA-N 0 3 378.473 0.215 20 0 GCADHN CC(C)(C)[C@H]1CCN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@H]1O ZINC000468010985 1184638544 /nfs/dbraw/zinc/63/85/44/1184638544.db2.gz DOFJQSSAUMANKQ-ZWKOTPCHSA-N 0 3 384.565 0.815 20 0 GCADHN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)c1 ZINC000430396864 1184646329 /nfs/dbraw/zinc/64/63/29/1184646329.db2.gz VAYIVKCEFKMYSY-FUHWJXTLSA-N 0 3 375.469 0.812 20 0 GCADHN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N(C)CCN(C)C ZINC000275415307 1184658218 /nfs/dbraw/zinc/65/82/18/1184658218.db2.gz LHCIHCCNRYHUNL-UHFFFAOYSA-N 0 3 376.457 0.426 20 0 GCADHN CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)CNCCOC)CC1 ZINC000430401009 1184660502 /nfs/dbraw/zinc/66/05/02/1184660502.db2.gz JNEPTTCQEWSHGC-INIZCTEOSA-N 0 3 377.485 0.923 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 ZINC000275422938 1184662372 /nfs/dbraw/zinc/66/23/72/1184662372.db2.gz MVWWXDJYCKCURY-UHFFFAOYSA-N 0 3 382.486 0.428 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c2ccccc2O1 ZINC000683410901 1184665440 /nfs/dbraw/zinc/66/54/40/1184665440.db2.gz CEUVYSMETMUQFM-GJZGRUSLSA-N 0 3 381.498 0.461 20 0 GCADHN Cc1c([C@H]2OCC[C@@H]2C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cnn1C ZINC000275432748 1184665460 /nfs/dbraw/zinc/66/54/60/1184665460.db2.gz CTQWMTQHZMSECV-SZMVWBNQSA-N 0 3 389.500 0.571 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1S(=O)(=O)NC1CC1 ZINC000275468423 1184679647 /nfs/dbraw/zinc/67/96/47/1184679647.db2.gz WWIMRYDGHAIQGO-UHFFFAOYSA-N 0 3 398.485 0.094 20 0 GCADHN CN(C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000748111296 1184680059 /nfs/dbraw/zinc/68/00/59/1184680059.db2.gz KLYSIYCEMNBZGT-MRXNPFEDSA-N 0 3 384.502 0.251 20 0 GCADHN COCCNC(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1Cl ZINC000275479305 1184683256 /nfs/dbraw/zinc/68/32/56/1184683256.db2.gz ZQBIAKRGLSRWQO-UHFFFAOYSA-N 0 3 384.864 0.675 20 0 GCADHN CC(C)(C)n1nnc(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000654682545 1184687746 /nfs/dbraw/zinc/68/77/46/1184687746.db2.gz TXJFSJUKVLDRDK-IBGZPJMESA-N 0 3 387.488 0.864 20 0 GCADHN O=C(CN(CCO)C1CCOCC1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000275500274 1184690914 /nfs/dbraw/zinc/69/09/14/1184690914.db2.gz GWPXLKBIFRMXMI-UHFFFAOYSA-N 0 3 393.440 0.969 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CCN1CC(C)(C)O ZINC000275525742 1184699049 /nfs/dbraw/zinc/69/90/49/1184699049.db2.gz JTGWVADBSPMTDX-HUUCEWRRSA-N 0 3 375.469 0.421 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN(CCO)C3CCOCC3)CC2)cc1 ZINC000275535707 1184702637 /nfs/dbraw/zinc/70/26/37/1184702637.db2.gz LCJIFZUWJOBGHS-UHFFFAOYSA-N 0 3 391.512 0.813 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CCOCC1 ZINC000510266348 1184705489 /nfs/dbraw/zinc/70/54/89/1184705489.db2.gz YTBNHNVVCXECLU-UHFFFAOYSA-N 0 3 381.454 0.302 20 0 GCADHN C[C@@](O)(CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)CN1CCOCC1 ZINC000530647847 1184717421 /nfs/dbraw/zinc/71/74/21/1184717421.db2.gz HYQTVIAUKWKIMP-AZUAARDMSA-N 0 3 376.501 0.493 20 0 GCADHN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000430429378 1184725164 /nfs/dbraw/zinc/72/51/64/1184725164.db2.gz WWGFSVRPFOVKQF-QWHCGFSZSA-N 0 3 382.427 0.884 20 0 GCADHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000275574479 1184727246 /nfs/dbraw/zinc/72/72/46/1184727246.db2.gz GKPSBTDBUDCRES-OAHLLOKOSA-N 0 3 395.529 0.774 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)CC1=O ZINC000890859895 1184733189 /nfs/dbraw/zinc/73/31/89/1184733189.db2.gz WNELFDUORCGXOA-HNNXBMFYSA-N 0 3 396.513 0.109 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)CC1=O ZINC000430437027 1184767302 /nfs/dbraw/zinc/76/73/02/1184767302.db2.gz IWTJTOOAHDEILK-AWEZNQCLSA-N 0 3 385.472 0.682 20 0 GCADHN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000275611893 1184820059 /nfs/dbraw/zinc/82/00/59/1184820059.db2.gz ITIYAZVCZPGBPX-HZPDHXFCSA-N 0 3 377.441 0.520 20 0 GCADHN CN1CCN([C@@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c2ccccc2)CC1 ZINC000579956551 1184824329 /nfs/dbraw/zinc/82/43/29/1184824329.db2.gz LYVWHBCGQFLYPH-WOJBJXKFSA-N 0 3 397.527 0.889 20 0 GCADHN CN(C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C1CCN(CCc2ccccn2)CC1 ZINC000471445995 1184844383 /nfs/dbraw/zinc/84/43/83/1184844383.db2.gz ZVUDRFYWULCUBE-MSOLQXFVSA-N 0 3 389.500 0.763 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 ZINC000275638411 1184847568 /nfs/dbraw/zinc/84/75/68/1184847568.db2.gz LLKMABVCFNGIHX-UHFFFAOYSA-N 0 3 389.500 0.357 20 0 GCADHN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(CCO)C1CCOCC1 ZINC000275639932 1184849060 /nfs/dbraw/zinc/84/90/60/1184849060.db2.gz WDOCNNBTGRQUBN-GOSISDBHSA-N 0 3 376.453 0.586 20 0 GCADHN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579972872 1184866661 /nfs/dbraw/zinc/86/66/61/1184866661.db2.gz NKHXMBPASIXCMA-SMDDNHRTSA-N 0 3 375.379 0.843 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)CN1CCN(C)CC1 ZINC000556370482 1184905180 /nfs/dbraw/zinc/90/51/80/1184905180.db2.gz MNEFEWCHSGOACC-YYIAUSFCSA-N 0 3 378.517 0.060 20 0 GCADHN C[C@H](CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655971125 1184907279 /nfs/dbraw/zinc/90/72/79/1184907279.db2.gz SXOYLUXNRMXEHQ-PNBKFKSVSA-N 0 3 379.509 0.581 20 0 GCADHN CN(CCNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000039097536 1184911733 /nfs/dbraw/zinc/91/17/33/1184911733.db2.gz CCJNKXWWZASXNA-UHFFFAOYSA-N 0 3 378.473 0.876 20 0 GCADHN O=C(NCCN1CCNC1=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000891079836 1184912299 /nfs/dbraw/zinc/91/22/99/1184912299.db2.gz OYUMHNUCQNRDKJ-SJORKVTESA-N 0 3 375.473 0.194 20 0 GCADHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)C1 ZINC000188700662 1184941700 /nfs/dbraw/zinc/94/17/00/1184941700.db2.gz YLIICNLNWQRMAO-GASCZTMLSA-N 0 3 388.516 0.318 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)cc1 ZINC000656026495 1184963031 /nfs/dbraw/zinc/96/30/31/1184963031.db2.gz JFDISTIJXDVPQS-HNNXBMFYSA-N 0 3 387.488 0.984 20 0 GCADHN CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)cc1 ZINC000041719132 1184964804 /nfs/dbraw/zinc/96/48/04/1184964804.db2.gz VXNNOAJFACKLEJ-UHFFFAOYSA-N 0 3 391.472 0.947 20 0 GCADHN CNC(=O)Cn1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)cn1 ZINC000275720111 1184970158 /nfs/dbraw/zinc/97/01/58/1184970158.db2.gz NLEVGKZQVJOSKS-UHFFFAOYSA-N 0 3 390.444 0.059 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(CCOC)CCOC)c2)CC1 ZINC000275730961 1184989738 /nfs/dbraw/zinc/98/97/38/1184989738.db2.gz UILNFDQHACPENI-UHFFFAOYSA-N 0 3 392.500 0.888 20 0 GCADHN O=C(NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@H]1C[C@H](F)CN1 ZINC000275739318 1184994560 /nfs/dbraw/zinc/99/45/60/1184994560.db2.gz LPJLLJYSMPJOMF-OFQRWUPVSA-N 0 3 385.461 0.460 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c(C)c1 ZINC000656072464 1185007608 /nfs/dbraw/zinc/00/76/08/1185007608.db2.gz NYAFWBDRFFDSJA-UHFFFAOYSA-N 0 3 375.517 0.453 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000510316854 1185012233 /nfs/dbraw/zinc/01/22/33/1185012233.db2.gz AOVQNLQKXXPULL-MRXNPFEDSA-N 0 3 390.550 0.599 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000656080076 1185020088 /nfs/dbraw/zinc/02/00/88/1185020088.db2.gz XEQXMADDCAKYIJ-KRWDZBQOSA-N 0 3 380.533 0.500 20 0 GCADHN COc1ccc2c(c1)CN(C(=O)C(=O)N1CCC[C@@H](n3cc(CN)nn3)C1)C2 ZINC000656104146 1185031254 /nfs/dbraw/zinc/03/12/54/1185031254.db2.gz INBKVVTYCPIXOV-MRXNPFEDSA-N 0 3 384.440 0.451 20 0 GCADHN CN(C)CCn1nccc1NC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001670516906 1185031353 /nfs/dbraw/zinc/03/13/53/1185031353.db2.gz HCWAFCZIWBAKGP-GJZGRUSLSA-N 0 3 399.517 0.645 20 0 GCADHN CCOC(=O)C1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000045734955 1185063654 /nfs/dbraw/zinc/06/36/54/1185063654.db2.gz CPBWDGNCMBPLIG-UHFFFAOYSA-N 0 3 375.473 0.790 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000548066012 1185074542 /nfs/dbraw/zinc/07/45/42/1185074542.db2.gz WQDNKPFHXIAGMY-CQSZACIVSA-N 0 3 375.473 0.275 20 0 GCADHN O=C(C(=O)N1CCN(C2CCOCC2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000580165457 1185098469 /nfs/dbraw/zinc/09/84/69/1185098469.db2.gz OMJQJXXRSVVKOM-SFHVURJKSA-N 0 3 378.517 0.396 20 0 GCADHN O=C(C(=O)N1CCCN(Cc2cscn2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000580165469 1185099218 /nfs/dbraw/zinc/09/92/18/1185099218.db2.gz PREMOTWFOWTYCB-QGZVFWFLSA-N 0 3 391.541 0.874 20 0 GCADHN O=C(Cc1cccc(F)c1)N1CCCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000580173659 1185105064 /nfs/dbraw/zinc/10/50/64/1185105064.db2.gz SEFKKIHENKZVCX-QGZVFWFLSA-N 0 3 378.448 0.601 20 0 GCADHN C#CCN1CCC(C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc32)CC1 ZINC000050024399 1185112107 /nfs/dbraw/zinc/11/21/07/1185112107.db2.gz YTPYVFVXPLHLTH-UHFFFAOYSA-N 0 3 381.436 0.523 20 0 GCADHN Cc1cccc([C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C(C)(C)C)c1 ZINC000580215617 1185120724 /nfs/dbraw/zinc/12/07/24/1185120724.db2.gz SANVMOLYKQTQEL-ULQDDVLXSA-N 0 3 386.496 0.969 20 0 GCADHN CC(C)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000580292940 1185142014 /nfs/dbraw/zinc/14/20/14/1185142014.db2.gz KDYPBBOFKZNWCL-GOSISDBHSA-N 0 3 379.549 0.166 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)N1CCCC1 ZINC000070965988 1185146443 /nfs/dbraw/zinc/14/64/43/1185146443.db2.gz NYIVYPFRMRGAHW-CQSZACIVSA-N 0 3 376.457 0.693 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(OCCOC)c2)CC1 ZINC000071004173 1185153666 /nfs/dbraw/zinc/15/36/66/1185153666.db2.gz GEDNJGOSACJTGJ-MRXNPFEDSA-N 0 3 392.500 0.793 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc(N2CCOCC2)ccn1 ZINC000275831608 1185165189 /nfs/dbraw/zinc/16/51/89/1185165189.db2.gz LZUSUUULZRJBTK-GOSISDBHSA-N 0 3 389.500 0.591 20 0 GCADHN Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000580331692 1185172245 /nfs/dbraw/zinc/17/22/45/1185172245.db2.gz FOBMSQUTNZPCOK-DLBZAZTESA-N 0 3 382.468 0.943 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000655353797 1185181888 /nfs/dbraw/zinc/18/18/88/1185181888.db2.gz WFDUGTPKIAJGSP-GDBMZVCRSA-N 0 3 384.502 0.686 20 0 GCADHN CN(CCN1CCN(C(=O)C(=O)N(C)Cc2c[nH]cn2)CC1)Cc1ccccc1 ZINC000580346969 1185182609 /nfs/dbraw/zinc/18/26/09/1185182609.db2.gz GUKDJDYYLYUUFH-UHFFFAOYSA-N 0 3 398.511 0.644 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2cc(N3CCOCC3)ccn2)CC1 ZINC000275851062 1185182843 /nfs/dbraw/zinc/18/28/43/1185182843.db2.gz XGHZZUNKYOVBGA-UHFFFAOYSA-N 0 3 390.484 0.923 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000580346404 1185183591 /nfs/dbraw/zinc/18/35/91/1185183591.db2.gz HHBQWOPDXFKGGN-RYUDHWBXSA-N 0 3 392.422 0.502 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000683893159 1185184459 /nfs/dbraw/zinc/18/44/59/1185184459.db2.gz XPBFZSSESVDLNT-GFCCVEGCSA-N 0 3 390.444 0.609 20 0 GCADHN COC1CCN(CCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000683894430 1185187302 /nfs/dbraw/zinc/18/73/02/1185187302.db2.gz XGAYEYCPONXHGP-UHFFFAOYSA-N 0 3 390.444 0.609 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000275862548 1185190724 /nfs/dbraw/zinc/19/07/24/1185190724.db2.gz CXOHSXLUCJJFAD-UHFFFAOYSA-N 0 3 376.457 0.693 20 0 GCADHN CNC(=O)Cn1cc(NC(=O)C(=O)N(CCN(C)C)CC2CCCCC2)cn1 ZINC000275865429 1185191030 /nfs/dbraw/zinc/19/10/30/1185191030.db2.gz MPJPFDKYAZXIEP-UHFFFAOYSA-N 0 3 392.504 0.538 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000580413203 1185223681 /nfs/dbraw/zinc/22/36/81/1185223681.db2.gz PEIDERAVGQQNBH-WWNBULGVSA-N 0 3 379.501 0.868 20 0 GCADHN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@H]1CNCCO1 ZINC000580444276 1185233576 /nfs/dbraw/zinc/23/35/76/1185233576.db2.gz AUNYUKWMFOKAQF-GFCCVEGCSA-N 0 3 377.470 0.547 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(F)cc1 ZINC000580451582 1185234198 /nfs/dbraw/zinc/23/41/98/1185234198.db2.gz IVMBPUKZHHXLPV-JYJNAYRXSA-N 0 3 376.432 0.409 20 0 GCADHN CC[C@@]1(CO)CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000275888988 1185237006 /nfs/dbraw/zinc/23/70/06/1185237006.db2.gz RUDSELNTAMDFRQ-IBGZPJMESA-N 0 3 395.525 0.756 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000683946885 1185242535 /nfs/dbraw/zinc/24/25/35/1185242535.db2.gz QMIUUFLNFKSXRR-UHFFFAOYSA-N 0 3 380.470 0.453 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCO[C@H](COCC2CC2)C1)N1CCC(C)CC1 ZINC000557122823 1185253530 /nfs/dbraw/zinc/25/35/30/1185253530.db2.gz XKDFKQRQNZLVHF-AEFFLSMTSA-N 0 3 381.517 0.877 20 0 GCADHN C[C@H]1CN(C(=O)NCc2nnnn2CC2CC2)CC[C@H]1N1CCN(C)CC1 ZINC000548107813 1185261481 /nfs/dbraw/zinc/26/14/81/1185261481.db2.gz GMOICOSVQUWQRK-GOEBONIOSA-N 0 3 376.509 0.251 20 0 GCADHN CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000548112682 1185276102 /nfs/dbraw/zinc/27/61/02/1185276102.db2.gz MBYFLUORVLZZNF-UHFFFAOYSA-N 0 3 385.534 0.411 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000564605364 1185278035 /nfs/dbraw/zinc/27/80/35/1185278035.db2.gz MQJHEPIHOGOKPP-QGZVFWFLSA-N 0 3 380.533 0.690 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)CC1 ZINC000580582241 1185281474 /nfs/dbraw/zinc/28/14/74/1185281474.db2.gz PANNREOGALVOJI-QFIPXVFZSA-N 0 3 398.507 0.601 20 0 GCADHN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NCCCN3CCN(C)CC3)cn2)n1 ZINC000047962085 1185282139 /nfs/dbraw/zinc/28/21/39/1185282139.db2.gz NEQCMKHVFWHFEF-UHFFFAOYSA-N 0 3 399.499 0.576 20 0 GCADHN C[C@@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)nc1)CN1CCOCC1 ZINC000155802209 1185289983 /nfs/dbraw/zinc/28/99/83/1185289983.db2.gz LOEYWRBIADFIII-KRWDZBQOSA-N 0 3 390.532 0.601 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000580708800 1185309520 /nfs/dbraw/zinc/30/95/20/1185309520.db2.gz BGIUTIBPCYYTMV-OCCSQVGLSA-N 0 3 383.395 0.997 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000275932845 1185314284 /nfs/dbraw/zinc/31/42/84/1185314284.db2.gz OBTFUAOQNNUJIS-OAHLLOKOSA-N 0 3 390.484 0.783 20 0 GCADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cn1 ZINC000275934843 1185318486 /nfs/dbraw/zinc/31/84/86/1185318486.db2.gz WONRVVXEGVSGIX-DYVFJYSZSA-N 0 3 386.456 0.375 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000580741140 1185325783 /nfs/dbraw/zinc/32/57/83/1185325783.db2.gz LIDAIIXXBFWSKX-LPHOPBHVSA-N 0 3 392.544 0.831 20 0 GCADHN O=C(NC1CCN(C(=O)C2CC2)CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656288635 1185337718 /nfs/dbraw/zinc/33/77/18/1185337718.db2.gz FJAWMCVXPRBYTD-DLBZAZTESA-N 0 3 376.501 0.637 20 0 GCADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000275971713 1185345928 /nfs/dbraw/zinc/34/59/28/1185345928.db2.gz HKWFNJHIHFISBL-AWEZNQCLSA-N 0 3 390.509 0.563 20 0 GCADHN COCCOc1ncccc1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656297064 1185358087 /nfs/dbraw/zinc/35/80/87/1185358087.db2.gz RYQNDNBXBZNJIB-DLBZAZTESA-N 0 3 390.484 0.856 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1C(=O)OC ZINC000275991423 1185386934 /nfs/dbraw/zinc/38/69/34/1185386934.db2.gz XOWLORHCBIDVAP-UHFFFAOYSA-N 0 3 391.424 0.751 20 0 GCADHN O=C(N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000580827708 1185388678 /nfs/dbraw/zinc/38/86/78/1185388678.db2.gz FZPVFYIREGBRSR-PXAZEXFGSA-N 0 3 375.454 0.148 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)N(C)Cc1ccccc1 ZINC000656312125 1185389478 /nfs/dbraw/zinc/38/94/78/1185389478.db2.gz GZXKYVNOFCHPNR-CQSZACIVSA-N 0 3 387.488 0.681 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000275996098 1185394316 /nfs/dbraw/zinc/39/43/16/1185394316.db2.gz YHCXSRVJZBIODF-KGLIPLIRSA-N 0 3 380.470 0.358 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000656316411 1185404114 /nfs/dbraw/zinc/40/41/14/1185404114.db2.gz RNKCDXHTVSOWFW-MKXGPGLRSA-N 0 3 392.544 0.879 20 0 GCADHN O=C(NCc1nc2c(s1)COCC2)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000932997767 1185408701 /nfs/dbraw/zinc/40/87/01/1185408701.db2.gz FWUFTCCEQPTUCP-ZDUSSCGKSA-N 0 3 378.498 0.919 20 0 GCADHN C[C@H](O)CN(C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000656325299 1185419205 /nfs/dbraw/zinc/41/92/05/1185419205.db2.gz OABFJJQFADRMEN-HNNXBMFYSA-N 0 3 389.496 0.631 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656343687 1185437430 /nfs/dbraw/zinc/43/74/30/1185437430.db2.gz OVGJKTKDNHQDMB-ILOCAZANSA-N 0 3 382.549 0.837 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656342940 1185438573 /nfs/dbraw/zinc/43/85/73/1185438573.db2.gz IIUXQASCKWODPN-FLXSYLCISA-N 0 3 382.549 0.979 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCCN2c2ncccn2)CC1 ZINC000610472453 1185446009 /nfs/dbraw/zinc/44/60/09/1185446009.db2.gz DCAUETMTVNQXHA-INIZCTEOSA-N 0 3 375.473 0.837 20 0 GCADHN COCCc1noc(CN(C)C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000656355069 1185451081 /nfs/dbraw/zinc/45/10/81/1185451081.db2.gz IWIPXLAWDNSWKI-KBPBESRZSA-N 0 3 379.461 0.350 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000656354413 1185451634 /nfs/dbraw/zinc/45/16/34/1185451634.db2.gz CHEDSEZUOOZDSY-ZIAGYGMSSA-N 0 3 376.423 0.826 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)CCN2C1=O ZINC000580964301 1185451745 /nfs/dbraw/zinc/45/17/45/1185451745.db2.gz WKDUWCBRYIFWMK-XLNGHYISSA-N 0 3 388.443 0.348 20 0 GCADHN CN1CCN(C2CCN(C(=O)C(=O)NCC[C@@H]3CCC4(CCC4)O3)CC2)CC1 ZINC000933058711 1185454826 /nfs/dbraw/zinc/45/48/26/1185454826.db2.gz DZCUHZITIHPGEA-SFHVURJKSA-N 0 3 392.544 0.833 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000276010315 1185455612 /nfs/dbraw/zinc/45/56/12/1185455612.db2.gz HBEMKYXREGSGHS-AWEZNQCLSA-N 0 3 388.468 0.907 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000656355627 1185455789 /nfs/dbraw/zinc/45/57/89/1185455789.db2.gz MDTJAJNWTLATDG-KSZLIROESA-N 0 3 378.517 0.300 20 0 GCADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356740 1185456033 /nfs/dbraw/zinc/45/60/33/1185456033.db2.gz WCCLKBMDLWCCJM-KURKYZTESA-N 0 3 399.532 0.380 20 0 GCADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C[C@H](C)O1 ZINC000656356512 1185457223 /nfs/dbraw/zinc/45/72/23/1185457223.db2.gz FECLFVDSUDCEGI-XWTMOSNGSA-N 0 3 380.533 0.687 20 0 GCADHN CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356503 1185457418 /nfs/dbraw/zinc/45/74/18/1185457418.db2.gz FDOLOTPJNYJNLY-DLBZAZTESA-N 0 3 380.533 0.689 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCOC2(CCOCC2)CC1 ZINC000656356360 1185459080 /nfs/dbraw/zinc/45/90/80/1185459080.db2.gz SNROCSFUARYYJQ-IAGOWNOFSA-N 0 3 379.501 0.918 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C3CC3)CCN2C1=O ZINC000581082388 1185488842 /nfs/dbraw/zinc/48/88/42/1185488842.db2.gz JGYQBGFQWRMHJS-IIDMSEBBSA-N 0 3 386.452 0.862 20 0 GCADHN COc1ccccc1OCCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000581084221 1185490474 /nfs/dbraw/zinc/49/04/74/1185490474.db2.gz AIUSEGCHDAZOOA-UHFFFAOYSA-N 0 3 392.500 0.286 20 0 GCADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000581093933 1185494764 /nfs/dbraw/zinc/49/47/64/1185494764.db2.gz LWJDTDVRVNUKRW-BRWVUGGUSA-N 0 3 390.532 0.884 20 0 GCADHN Cc1ncc(CN2CCN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CC2)s1 ZINC000581117434 1185504084 /nfs/dbraw/zinc/50/40/84/1185504084.db2.gz FELQYBUHGMHGOO-ZBFHGGJFSA-N 0 3 377.514 0.258 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2)nn1 ZINC000581120582 1185504831 /nfs/dbraw/zinc/50/48/31/1185504831.db2.gz FVCNGEBLNZNITM-IRXDYDNUSA-N 0 3 383.456 0.889 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000684148730 1185505999 /nfs/dbraw/zinc/50/59/99/1185505999.db2.gz DXEBJMRTKYLLSK-HNNXBMFYSA-N 0 3 396.513 0.770 20 0 GCADHN CN(C)C1(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CCC1 ZINC000891361520 1185524497 /nfs/dbraw/zinc/52/44/97/1185524497.db2.gz SZRDMQRVLQCKOA-ZDUSSCGKSA-N 0 3 380.489 0.807 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)C1 ZINC001021793875 1185538685 /nfs/dbraw/zinc/53/86/85/1185538685.db2.gz QIYQBIFWHNNOAJ-QKPAOTATSA-N 0 3 376.501 0.445 20 0 GCADHN CCc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1S(N)(=O)=O ZINC000276077859 1185550028 /nfs/dbraw/zinc/55/00/28/1185550028.db2.gz LYVXWFWGNUOFBL-LBPRGKRZSA-N 0 3 394.497 0.602 20 0 GCADHN CCN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C[C@@H]1c1ncc[nH]1 ZINC000581251318 1185557263 /nfs/dbraw/zinc/55/72/63/1185557263.db2.gz MMYPMBUSKAKIJP-ZWKOTPCHSA-N 0 3 396.495 0.700 20 0 GCADHN CC(C)(C)O[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@@H]1n1cccn1 ZINC000581261637 1185561167 /nfs/dbraw/zinc/56/11/67/1185561167.db2.gz MNHQTIMGICICAY-LJIZCISZSA-N 0 3 390.488 0.334 20 0 GCADHN COC(=O)Cc1cccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000276101720 1185572260 /nfs/dbraw/zinc/57/22/60/1185572260.db2.gz YODZXMBYVQJQKZ-UHFFFAOYSA-N 0 3 390.484 0.437 20 0 GCADHN COC(=O)c1ccsc1NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000581289231 1185573552 /nfs/dbraw/zinc/57/35/52/1185573552.db2.gz NJLNKSCAPYOABL-UHFFFAOYSA-N 0 3 382.486 0.617 20 0 GCADHN CN1C(=O)C(=O)N(CC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1=O ZINC000363403114 1185574008 /nfs/dbraw/zinc/57/40/08/1185574008.db2.gz WVUZIEIQAGPQOQ-UHFFFAOYSA-N 0 3 394.472 0.337 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(OC(F)F)cc1 ZINC000581322001 1185593089 /nfs/dbraw/zinc/59/30/89/1185593089.db2.gz GHCSVGWDEKWBHA-JKOKRWQUSA-N 0 3 396.394 0.236 20 0 GCADHN COCCn1nnc2c1CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)C2 ZINC000581323455 1185593139 /nfs/dbraw/zinc/59/31/39/1185593139.db2.gz JHTUQCXQRCBYCJ-IBGZPJMESA-N 0 3 386.500 0.702 20 0 GCADHN O=C(N[C@@H]1CCC(=O)NC12CCC2)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000581347236 1185608987 /nfs/dbraw/zinc/60/89/87/1185608987.db2.gz FQNGCMFVAHSVQP-MRXNPFEDSA-N 0 3 376.501 0.781 20 0 GCADHN CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000581386843 1185629365 /nfs/dbraw/zinc/62/93/65/1185629365.db2.gz PUMPSYGVAJIHJZ-ULQDDVLXSA-N 0 3 396.532 0.365 20 0 GCADHN CC(C)[C@@H]1C[C@H](NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000581386844 1185629400 /nfs/dbraw/zinc/62/94/00/1185629400.db2.gz PUMPSYGVAJIHJZ-ZACQAIPSSA-N 0 3 396.532 0.365 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)CNC(=O)c3ccncc3)ccc2oc1=O ZINC000060472314 1185645622 /nfs/dbraw/zinc/64/56/22/1185645622.db2.gz COEDWWFRJWDSKS-UHFFFAOYSA-N 0 3 383.408 0.920 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[C@H]1CO ZINC000276205723 1185682302 /nfs/dbraw/zinc/68/23/02/1185682302.db2.gz OEHGQYNQNJOZLA-WBVHZDCISA-N 0 3 381.498 0.222 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCNC(=O)N(C)C)c2)CC1 ZINC000276261792 1185713181 /nfs/dbraw/zinc/71/31/81/1185713181.db2.gz RTWGQVOLAHQWKD-UHFFFAOYSA-N 0 3 390.488 0.154 20 0 GCADHN COCCOCCOCCN(C)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000276301888 1185724755 /nfs/dbraw/zinc/72/47/55/1185724755.db2.gz VYSLOLADIQFPGQ-GOSISDBHSA-N 0 3 384.473 0.996 20 0 GCADHN CC(C)OC[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCO1 ZINC000581502612 1185730477 /nfs/dbraw/zinc/73/04/77/1185730477.db2.gz WYIGVEPZZWQLJI-OALUTQOASA-N 0 3 391.512 0.928 20 0 GCADHN C[C@@H]1C[C@H]1c1ccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)o1 ZINC000581538580 1185748995 /nfs/dbraw/zinc/74/89/95/1185748995.db2.gz VYQCUMPZUMZSDR-XNRPHZJLSA-N 0 3 386.456 0.933 20 0 GCADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000581548537 1185754448 /nfs/dbraw/zinc/75/44/48/1185754448.db2.gz LWMDJKKIWVGOAM-OXQOHEQNSA-N 0 3 389.452 0.109 20 0 GCADHN CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OCC ZINC000581559613 1185760869 /nfs/dbraw/zinc/76/08/69/1185760869.db2.gz GFLYBYQHGUXUDN-LSDHHAIUSA-N 0 3 376.457 0.666 20 0 GCADHN Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H]2CN3CCN2CCC3)on1 ZINC000684318262 1185770314 /nfs/dbraw/zinc/77/03/14/1185770314.db2.gz MMWFUTCBVVHJTG-XYJFISCASA-N 0 3 379.480 0.744 20 0 GCADHN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430614093 1185776150 /nfs/dbraw/zinc/77/61/50/1185776150.db2.gz YCSWVXGXUWDFLD-HUUCEWRRSA-N 0 3 388.468 0.886 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NC(=O)NCc1ccccc1 ZINC000430617683 1185786394 /nfs/dbraw/zinc/78/63/94/1185786394.db2.gz OHUJGHOEXOITCS-QGZVFWFLSA-N 0 3 387.484 0.156 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)cc3F)CCN2C1=O ZINC000581618410 1185790432 /nfs/dbraw/zinc/79/04/32/1185790432.db2.gz BCAUPGJOZMZBBH-GZMMTYOYSA-N 0 3 386.330 0.136 20 0 GCADHN COCCC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000625569549 1185791298 /nfs/dbraw/zinc/79/12/98/1185791298.db2.gz CXTHPMXQCMWGSS-KRWDZBQOSA-N 0 3 394.516 0.027 20 0 GCADHN CCC[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)OCC ZINC000625569361 1185791532 /nfs/dbraw/zinc/79/15/32/1185791532.db2.gz BKALEOAXMYCWCK-JKSUJKDBSA-N 0 3 382.505 0.073 20 0 GCADHN CC(C)[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000581629099 1185794153 /nfs/dbraw/zinc/79/41/53/1185794153.db2.gz FPRPNWUFBDPLBL-DLBZAZTESA-N 0 3 394.516 0.073 20 0 GCADHN CN(Cc1ccccc1F)C(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430622583 1185801194 /nfs/dbraw/zinc/80/11/94/1185801194.db2.gz FRWXHRMNMIVBMO-QGZVFWFLSA-N 0 3 376.476 0.928 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)c3ncnn3C)c2)CC1 ZINC000276479965 1185835661 /nfs/dbraw/zinc/83/56/61/1185835661.db2.gz NYCQHKSGKDDLLD-CQSZACIVSA-N 0 3 385.472 0.773 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)c2cc(N3CCNC(=O)C3)ccn2)C[C@@H](C)O1 ZINC000276477346 1185836338 /nfs/dbraw/zinc/83/63/38/1185836338.db2.gz FKCNJHMWGMPAAV-HZPDHXFCSA-N 0 3 389.500 0.637 20 0 GCADHN NC(=O)c1cn(C2CCN(CCC(=O)NCC(=O)c3ccccc3)CC2)nn1 ZINC000625809418 1185838708 /nfs/dbraw/zinc/83/87/08/1185838708.db2.gz KIBABPHZVKCGIY-UHFFFAOYSA-N 0 3 384.440 0.403 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)NC2CCN(CCOC)CC2)C1=O ZINC000276505235 1185848169 /nfs/dbraw/zinc/84/81/69/1185848169.db2.gz CKCXZSOFIOLKAG-INIZCTEOSA-N 0 3 392.504 0.808 20 0 GCADHN Cn1cc(-c2nc([C@H]3COCCN3C(=O)CNC[C@@H]3CCCO3)no2)cn1 ZINC000581721399 1185864820 /nfs/dbraw/zinc/86/48/20/1185864820.db2.gz UCZSKXWFROBBGO-UONOGXRCSA-N 0 3 376.417 0.139 20 0 GCADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000933391776 1185870169 /nfs/dbraw/zinc/87/01/69/1185870169.db2.gz GSTYRRGAWRSSBL-HOTGVXAUSA-N 0 3 385.472 0.301 20 0 GCADHN CC(=O)Nc1cccc(NC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000430653342 1185877976 /nfs/dbraw/zinc/87/79/76/1185877976.db2.gz YWVNBRNHRAOVLO-INIZCTEOSA-N 0 3 387.484 0.727 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NC(=O)NCc1cccs1 ZINC000430656026 1185881968 /nfs/dbraw/zinc/88/19/68/1185881968.db2.gz SRTQTEDZCGYZKK-AWEZNQCLSA-N 0 3 393.513 0.218 20 0 GCADHN COc1ccc(C[C@](C)(CO)NCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000933425100 1185885716 /nfs/dbraw/zinc/88/57/16/1185885716.db2.gz ITUWUYUGJNEHKZ-OAQYLSRUSA-N 0 3 389.496 0.659 20 0 GCADHN COc1ccc(C[C@@](C)(CO)NCC(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000933430115 1185886916 /nfs/dbraw/zinc/88/69/16/1185886916.db2.gz SXZVRZUQHCUWIG-PXNSSMCTSA-N 0 3 377.485 0.705 20 0 GCADHN CCN(C(=O)CN[C@](C)(CO)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000933443786 1185896471 /nfs/dbraw/zinc/89/64/71/1185896471.db2.gz ZJSOQUTUZDRKIY-WMZOPIPTSA-N 0 3 386.489 0.744 20 0 GCADHN CCOc1ccc(-c2cn(C3CN(C(=O)NC[C@@H]4CNCCO4)C3)nn2)cc1 ZINC000581777526 1185898072 /nfs/dbraw/zinc/89/80/72/1185898072.db2.gz QYEQTZDVHFOTPJ-KRWDZBQOSA-N 0 3 386.456 0.899 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@H]1Cc2ccccc2CN1 ZINC000891526028 1185904565 /nfs/dbraw/zinc/90/45/65/1185904565.db2.gz YYDLMUGEGQMICX-MRXNPFEDSA-N 0 3 398.554 0.379 20 0 GCADHN COc1cccc([C@H]2CNCCN2C(=O)N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000891528251 1185905489 /nfs/dbraw/zinc/90/54/89/1185905489.db2.gz NVNWXRSAPLXVIY-QFBILLFUSA-N 0 3 375.517 0.987 20 0 GCADHN O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@H]1Cc2ccccc2CN1 ZINC000891535795 1185908267 /nfs/dbraw/zinc/90/82/67/1185908267.db2.gz OCISNDGAXLOUTL-QGZVFWFLSA-N 0 3 380.514 0.720 20 0 GCADHN CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000471731933 1185913192 /nfs/dbraw/zinc/91/31/92/1185913192.db2.gz QDLDPKMCONKZFV-JKSUJKDBSA-N 0 3 381.521 0.628 20 0 GCADHN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)CCN1C(=O)CNC1=O ZINC000548275794 1185925807 /nfs/dbraw/zinc/92/58/07/1185925807.db2.gz JTZILVOGWIYFAR-CYBMUJFWSA-N 0 3 380.470 0.771 20 0 GCADHN CC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)cc1 ZINC000581879811 1185928748 /nfs/dbraw/zinc/92/87/48/1185928748.db2.gz AIHGMONPDMDYIS-POAQFYNOSA-N 0 3 386.452 0.972 20 0 GCADHN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430668342 1185943367 /nfs/dbraw/zinc/94/33/67/1185943367.db2.gz RCSIHLHRBNBKCH-HOTGVXAUSA-N 0 3 399.495 0.504 20 0 GCADHN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430668340 1185943746 /nfs/dbraw/zinc/94/37/46/1185943746.db2.gz RCSIHLHRBNBKCH-CVEARBPZSA-N 0 3 399.495 0.504 20 0 GCADHN CO[C@@H](CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CCCC1 ZINC000656938824 1185947235 /nfs/dbraw/zinc/94/72/35/1185947235.db2.gz QVSFADOACRSOHR-IRXDYDNUSA-N 0 3 387.546 0.760 20 0 GCADHN NC(=O)CCSc1ccccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581895644 1185957310 /nfs/dbraw/zinc/95/73/10/1185957310.db2.gz LHGVFRRJUVPSHN-VXGBXAGGSA-N 0 3 377.470 0.430 20 0 GCADHN COCCN(C)CCNC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000471810728 1185972660 /nfs/dbraw/zinc/97/26/60/1185972660.db2.gz LUZQVBCGKGMTRM-HOTGVXAUSA-N 0 3 382.484 0.609 20 0 GCADHN C[C@H](CO)N(C[C@H](C)O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000276717148 1185984016 /nfs/dbraw/zinc/98/40/16/1185984016.db2.gz HNNHVYYLWKIANE-CVEARBPZSA-N 0 3 379.501 0.917 20 0 GCADHN C[C@@H](O)CN(C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H](C)CO ZINC000276717167 1185984202 /nfs/dbraw/zinc/98/42/02/1185984202.db2.gz HNNHVYYLWKIANE-JKSUJKDBSA-N 0 3 379.501 0.917 20 0 GCADHN Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)CC2 ZINC000581935646 1185996241 /nfs/dbraw/zinc/99/62/41/1185996241.db2.gz WAKSOUXHVGAPRI-HNNXBMFYSA-N 0 3 376.505 0.598 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c2ccccc12 ZINC000581955363 1186004753 /nfs/dbraw/zinc/00/47/53/1186004753.db2.gz DKWLIJZCXWTBQS-QAPCUYQASA-N 0 3 380.448 0.535 20 0 GCADHN O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000891750663 1186008906 /nfs/dbraw/zinc/00/89/06/1186008906.db2.gz QJLQPHUDNHUYSD-ZIFCJYIRSA-N 0 3 393.509 0.736 20 0 GCADHN CCS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000891756409 1186012096 /nfs/dbraw/zinc/01/20/96/1186012096.db2.gz OGJJGVYWHKCRJZ-CVEARBPZSA-N 0 3 388.534 0.041 20 0 GCADHN COc1cc(OC)c(CNC(=O)CN(C)C2(CO)CCOCC2)c(OC)c1 ZINC000276748636 1186014323 /nfs/dbraw/zinc/01/43/23/1186014323.db2.gz HGQMGIDHDWWGAX-UHFFFAOYSA-N 0 3 382.457 0.802 20 0 GCADHN COc1ccc(-c2noc(CN3CCN(C(=O)COC4CNC4)CC3)n2)cc1 ZINC000430764419 1186026883 /nfs/dbraw/zinc/02/68/83/1186026883.db2.gz PWTYYVHECBXATL-UHFFFAOYSA-N 0 3 387.440 0.378 20 0 GCADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001691202625 1186028255 /nfs/dbraw/zinc/02/82/55/1186028255.db2.gz YIRPELNSPZGIBC-KGLIPLIRSA-N 0 3 389.504 0.428 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000328941470 1186036069 /nfs/dbraw/zinc/03/60/69/1186036069.db2.gz IBCJSWYPNLZFPA-UHFFFAOYSA-N 0 3 385.468 0.801 20 0 GCADHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CNC[C@H]3CCCO3)CC2)C1 ZINC000430830581 1186036164 /nfs/dbraw/zinc/03/61/64/1186036164.db2.gz ORWCIPCABKKXNC-FGTMMUONSA-N 0 3 380.533 0.404 20 0 GCADHN COc1cc(CN2CCC[C@@H]2CN2CCOCC2)cc(OC)c1OCC(N)=O ZINC000510692702 1186057952 /nfs/dbraw/zinc/05/79/52/1186057952.db2.gz HFWUWCPIPBKXGH-MRXNPFEDSA-N 0 3 393.484 0.865 20 0 GCADHN COCCN(C(=O)CN1CCNCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000430951354 1186064668 /nfs/dbraw/zinc/06/46/68/1186064668.db2.gz VGPXSALXTLCCPJ-MRXNPFEDSA-N 0 3 381.498 0.258 20 0 GCADHN COC(=O)[C@@H]1COCCN1C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000610619270 1186083214 /nfs/dbraw/zinc/08/32/14/1186083214.db2.gz ZPCZQNGQIGCZSR-KRWDZBQOSA-N 0 3 399.451 0.578 20 0 GCADHN O=C(NCc1cccnc1N1CCOCC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000891847357 1186088127 /nfs/dbraw/zinc/08/81/27/1186088127.db2.gz XGVIUSDSBKOKOC-QZTJIDSGSA-N 0 3 389.500 0.659 20 0 GCADHN O=C(NCc1cccnc1N1CCOCC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891847354 1186088363 /nfs/dbraw/zinc/08/83/63/1186088363.db2.gz XGVIUSDSBKOKOC-MSOLQXFVSA-N 0 3 389.500 0.659 20 0 GCADHN COc1ccc(CNC(=O)CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1OC ZINC000510754417 1186098809 /nfs/dbraw/zinc/09/88/09/1186098809.db2.gz RZMZCUYWVSIRER-CABCVRRESA-N 0 3 399.513 0.770 20 0 GCADHN COCc1cccc(CNC(=O)CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000510766526 1186104425 /nfs/dbraw/zinc/10/44/25/1186104425.db2.gz QLEIDYABHKHEES-IAGOWNOFSA-N 0 3 383.514 0.899 20 0 GCADHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847100 1186109067 /nfs/dbraw/zinc/10/90/67/1186109067.db2.gz OBANHMZBTYTGPO-HZPDHXFCSA-N 0 3 391.516 0.540 20 0 GCADHN Cn1ccnc1[C@H](O)C1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000933846973 1186109084 /nfs/dbraw/zinc/10/90/84/1186109084.db2.gz NCQCSBPBQOMRMD-MRXNPFEDSA-N 0 3 391.516 0.540 20 0 GCADHN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847101 1186109446 /nfs/dbraw/zinc/10/94/46/1186109446.db2.gz OBANHMZBTYTGPO-JKSUJKDBSA-N 0 3 391.516 0.540 20 0 GCADHN C[C@H](N[C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)NC(=O)NC1CCCCC1 ZINC000510795724 1186112493 /nfs/dbraw/zinc/11/24/93/1186112493.db2.gz KUQAXZBVQPIJGN-AEGPPILISA-N 0 3 388.534 0.983 20 0 GCADHN COC(=O)C1(NC(=O)CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CCCCC1 ZINC000510793654 1186112670 /nfs/dbraw/zinc/11/26/70/1186112670.db2.gz CXLMKBGBSNAPHS-KGLIPLIRSA-N 0 3 389.518 0.429 20 0 GCADHN COc1cc2c(cc1OC)CN(CCNC(=O)CNC[C@H]1CCCO1)CC2 ZINC000431057228 1186113829 /nfs/dbraw/zinc/11/38/29/1186113829.db2.gz NSEAEXHEODPOEF-QGZVFWFLSA-N 0 3 377.485 0.947 20 0 GCADHN CCCC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000328991739 1186114081 /nfs/dbraw/zinc/11/40/81/1186114081.db2.gz SNZHUYFJVGRDFF-HNNXBMFYSA-N 0 3 382.530 0.455 20 0 GCADHN Cn1nnnc1CCCNC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000933863891 1186117290 /nfs/dbraw/zinc/11/72/90/1186117290.db2.gz KBUDQTLKMQVDRZ-UHFFFAOYSA-N 0 3 393.536 0.618 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000548441928 1186120372 /nfs/dbraw/zinc/12/03/72/1186120372.db2.gz NFARNIHBWBTBTE-GOSISDBHSA-N 0 3 394.541 0.886 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891880317 1186121366 /nfs/dbraw/zinc/12/13/66/1186121366.db2.gz GZIDEMPQIJPSCY-KGLIPLIRSA-N 0 3 388.440 0.779 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891880318 1186121495 /nfs/dbraw/zinc/12/14/95/1186121495.db2.gz GZIDEMPQIJPSCY-UONOGXRCSA-N 0 3 388.440 0.779 20 0 GCADHN Cn1cc([C@]2(CNC(=O)C(=O)NC[C@@H]3CCN3C3CCCC3)CCCO2)cn1 ZINC000933909201 1186148390 /nfs/dbraw/zinc/14/83/90/1186148390.db2.gz MDADAGKMACOVEX-FXAWDEMLSA-N 0 3 389.500 0.675 20 0 GCADHN COCCOc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cn1 ZINC000891911553 1186152199 /nfs/dbraw/zinc/15/21/99/1186152199.db2.gz XDMSDGGKQUEOCY-IAGOWNOFSA-N 0 3 378.473 0.847 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000891929476 1186166617 /nfs/dbraw/zinc/16/66/17/1186166617.db2.gz OUQULEWSJCRUCK-ZWKOTPCHSA-N 0 3 395.548 0.218 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000891929474 1186166746 /nfs/dbraw/zinc/16/67/46/1186166746.db2.gz OUQULEWSJCRUCK-QZTJIDSGSA-N 0 3 395.548 0.218 20 0 GCADHN O=C(NCCS(=O)(=O)C1CCOCC1)NC[C@H]1Cc2ccccc2CN1 ZINC000891938191 1186172397 /nfs/dbraw/zinc/17/23/97/1186172397.db2.gz KGGBEKBPDJPEPH-MRXNPFEDSA-N 0 3 381.498 0.594 20 0 GCADHN COCCN(C)c1ccc(CNCCC(=O)N2CCN(C(C)=O)CC2)cn1 ZINC000276964649 1186179824 /nfs/dbraw/zinc/17/98/24/1186179824.db2.gz NJAQHAKOQAQXJG-UHFFFAOYSA-N 0 3 377.489 0.335 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N1CCN(C(C)=O)CC1 ZINC001691370585 1186198541 /nfs/dbraw/zinc/19/85/41/1186198541.db2.gz WXCHYLAKRWTPCF-OQIJWPOYSA-N 0 3 392.544 0.940 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)NCCNS(=O)(=O)NC(C)C)o1 ZINC000276983474 1186203456 /nfs/dbraw/zinc/20/34/56/1186203456.db2.gz APDGSGBUAILRKV-UHFFFAOYSA-N 0 3 389.522 0.494 20 0 GCADHN O=C(Nc1ccc(-n2ncc3c2nc[nH]c3=O)cc1)[C@@H]1CN2CCN1CCC2 ZINC000535717027 1186204851 /nfs/dbraw/zinc/20/48/51/1186204851.db2.gz BMXYCKOBQSJORW-INIZCTEOSA-N 0 3 379.424 0.850 20 0 GCADHN O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000535718204 1186206029 /nfs/dbraw/zinc/20/60/29/1186206029.db2.gz GVIIZDIUMDALFX-LJQANCHMSA-N 0 3 391.560 0.217 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000535734914 1186208428 /nfs/dbraw/zinc/20/84/28/1186208428.db2.gz VWQNWAAPAMQXMW-UHFFFAOYSA-N 0 3 399.442 0.808 20 0 GCADHN Cn1cc(CC[NH2+]Cc2cc(=O)[n-]c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n2)cn1 ZINC001691421463 1186219347 /nfs/dbraw/zinc/21/93/47/1186219347.db2.gz DDVNQQYJKFEDQE-LCEIHVTHSA-N 0 3 398.467 0.288 20 0 GCADHN COC(=O)[C@@H]1CN(C[C@H](O)CC(C)(C)O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045897 1186225903 /nfs/dbraw/zinc/22/59/03/1186225903.db2.gz KQMSYMZUTQVPJK-KGLIPLIRSA-N 0 3 386.489 0.850 20 0 GCADHN CCc1cnc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000277026875 1186230296 /nfs/dbraw/zinc/23/02/96/1186230296.db2.gz MGBYCNLTDRARMY-CYBMUJFWSA-N 0 3 379.486 0.409 20 0 GCADHN CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000535824071 1186246070 /nfs/dbraw/zinc/24/60/70/1186246070.db2.gz HPPJCRPRIWQRAK-GOSISDBHSA-N 0 3 395.525 0.760 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC000277130479 1186247403 /nfs/dbraw/zinc/24/74/03/1186247403.db2.gz ONVSAMHQKCFLNV-IERDGZPVSA-N 0 3 388.512 0.536 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC[C@H](CO)Cc2ccncc2Cl)CC1=O ZINC000535847344 1186253856 /nfs/dbraw/zinc/25/38/56/1186253856.db2.gz DMSHEJPVZVQPKN-UKRRQHHQSA-N 0 3 382.892 0.412 20 0 GCADHN CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000535853133 1186255323 /nfs/dbraw/zinc/25/53/23/1186255323.db2.gz ALRMWVJMYZWKGW-UHFFFAOYSA-N 0 3 376.457 0.881 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CC[C@H](C2CCOCC2)C1 ZINC000535876107 1186268999 /nfs/dbraw/zinc/26/89/99/1186268999.db2.gz LMLITOUYRRXLMF-IBGZPJMESA-N 0 3 382.549 0.835 20 0 GCADHN CS(=O)(=O)c1ccc(OCCNC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000458316830 1186269214 /nfs/dbraw/zinc/26/92/14/1186269214.db2.gz HYOJVFTUIPDZGZ-OAHLLOKOSA-N 0 3 399.513 0.615 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471990172 1186270781 /nfs/dbraw/zinc/27/07/81/1186270781.db2.gz DEROCCHZOUASEM-KBPBESRZSA-N 0 3 378.439 0.930 20 0 GCADHN Cc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001707916875 1186275607 /nfs/dbraw/zinc/27/56/07/1186275607.db2.gz OGDHEOGYSJXEEP-MRXNPFEDSA-N 0 3 390.536 0.169 20 0 GCADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCNC(=O)c1ccccc1 ZINC000563144791 1186304997 /nfs/dbraw/zinc/30/49/97/1186304997.db2.gz SEZPDVDRRYBKAR-SFHVURJKSA-N 0 3 380.448 0.617 20 0 GCADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(C2CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001707954145 1186307666 /nfs/dbraw/zinc/30/76/66/1186307666.db2.gz NUSZQHXUELCXCB-OAHLLOKOSA-N 0 3 389.548 0.848 20 0 GCADHN Cc1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1-n1nnnc1C(C)C ZINC000582014242 1186310275 /nfs/dbraw/zinc/31/02/75/1186310275.db2.gz LJSRLOGTFVQKCG-LSDHHAIUSA-N 0 3 398.471 0.870 20 0 GCADHN Cc1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1-n1nnnc1C(C)C ZINC000582014239 1186310678 /nfs/dbraw/zinc/31/06/78/1186310678.db2.gz LJSRLOGTFVQKCG-CABCVRRESA-N 0 3 398.471 0.870 20 0 GCADHN CN(CC1CCS(=O)(=O)CC1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000971974368 1186312041 /nfs/dbraw/zinc/31/20/41/1186312041.db2.gz HZRLSJAFWYESSZ-ZXXIGWHRSA-N 0 3 382.526 0.767 20 0 GCADHN Cc1nnc2n1C[C@H](NC(=O)N1CC[C@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000611563726 1186327938 /nfs/dbraw/zinc/32/79/38/1186327938.db2.gz QAEREWYDEAXVOV-SJORKVTESA-N 0 3 375.521 0.711 20 0 GCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000892084269 1186333721 /nfs/dbraw/zinc/33/37/21/1186333721.db2.gz MLKAYAWRYDJXFJ-SJORKVTESA-N 0 3 380.514 0.984 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CCO)CC1 ZINC000668584546 1186337131 /nfs/dbraw/zinc/33/71/31/1186337131.db2.gz YZYXNSIHYWUTRL-KZNAEPCWSA-N 0 3 382.549 0.386 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CSc1nnnn1CC(F)(F)F ZINC000472088434 1186337965 /nfs/dbraw/zinc/33/79/65/1186337965.db2.gz AZZIOAFYYGWALB-NSHDSACASA-N 0 3 395.455 0.470 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000548605608 1186338773 /nfs/dbraw/zinc/33/87/73/1186338773.db2.gz ZVBCQVBZUNFJQB-FCGDIQPGSA-N 0 3 398.548 0.474 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000511033967 1186338857 /nfs/dbraw/zinc/33/88/57/1186338857.db2.gz YPBNIZNJEQHGRM-CYBMUJFWSA-N 0 3 388.520 0.256 20 0 GCADHN CC(C)c1ccccc1OCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582015010 1186342157 /nfs/dbraw/zinc/34/21/57/1186342157.db2.gz WWSNPENOUNBSRH-HOCLYGCPSA-N 0 3 388.468 0.075 20 0 GCADHN CNC(=O)COc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1OC ZINC000472104053 1186353737 /nfs/dbraw/zinc/35/37/37/1186353737.db2.gz MSBIEXHPZCKKCO-HNNXBMFYSA-N 0 3 392.500 0.576 20 0 GCADHN COC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2CN2CC[C@H](O)C2)C1=O ZINC000277377025 1186353769 /nfs/dbraw/zinc/35/37/69/1186353769.db2.gz ZDOFUPXFOIJZQA-JKSUJKDBSA-N 0 3 375.425 0.627 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)C1=O ZINC000277376432 1186354131 /nfs/dbraw/zinc/35/41/31/1186354131.db2.gz ZXPAGNAUUASWOA-LSDHHAIUSA-N 0 3 378.477 0.370 20 0 GCADHN C[C@H](NS(C)(=O)=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000104902653 1186355482 /nfs/dbraw/zinc/35/54/82/1186355482.db2.gz INQHCKZEEAPATL-INIZCTEOSA-N 0 3 382.530 0.200 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@]3(F)CCS(=O)(=O)C3)cc21 ZINC001125576462 1186362187 /nfs/dbraw/zinc/36/21/87/1186362187.db2.gz VDWTVNIOTUTSOC-INIZCTEOSA-N 0 3 385.417 0.621 20 0 GCADHN COc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1F ZINC000157564871 1186364793 /nfs/dbraw/zinc/36/47/93/1186364793.db2.gz XERNCYAXDUIBQF-GFCCVEGCSA-N 0 3 384.427 0.912 20 0 GCADHN Cn1c2nnc(CN3CC[C@@H]4[C@@H]3CCCN4CCO)n2c2ccccc2c1=O ZINC000934256063 1186382126 /nfs/dbraw/zinc/38/21/26/1186382126.db2.gz ZXOMOMBTTXQVOY-DLBZAZTESA-N 0 3 382.468 0.612 20 0 GCADHN Cc1ccc(NC(=O)CN(C)C(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934261374 1186388837 /nfs/dbraw/zinc/38/88/37/1186388837.db2.gz RGMKMPYILKZLBJ-RBUKOAKNSA-N 0 3 388.512 0.923 20 0 GCADHN Cc1ccc(NC(=O)CN(C)C(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000934261376 1186388872 /nfs/dbraw/zinc/38/88/72/1186388872.db2.gz RGMKMPYILKZLBJ-RTBURBONSA-N 0 3 388.512 0.923 20 0 GCADHN NC(=O)c1c2c(sc1NC(=O)CN1CC[C@H]3[C@H]1CCCN3CCO)CCC2 ZINC000934261407 1186389074 /nfs/dbraw/zinc/38/90/74/1186389074.db2.gz RPBMEWPQPMLSIL-KGLIPLIRSA-N 0 3 392.525 0.805 20 0 GCADHN COCCOc1ccc(CNC(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000934261211 1186389296 /nfs/dbraw/zinc/38/92/96/1186389296.db2.gz PVEWWLRRRQANBM-UXHICEINSA-N 0 3 391.512 0.859 20 0 GCADHN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000934265849 1186394165 /nfs/dbraw/zinc/39/41/65/1186394165.db2.gz XESDHGRTZNPNQX-ZJPYXAASSA-N 0 3 389.496 0.862 20 0 GCADHN O=C(CN1CC[C@@H]2[C@H]1CCCN2CCO)N1CCN(Cc2ccco2)CC1 ZINC000934267205 1186395955 /nfs/dbraw/zinc/39/59/55/1186395955.db2.gz IZBRCLFURXALNF-RTBURBONSA-N 0 3 376.501 0.455 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000892169936 1186396306 /nfs/dbraw/zinc/39/63/06/1186396306.db2.gz BEWHDIPRIKATLF-MSOLQXFVSA-N 0 3 390.484 0.552 20 0 GCADHN CC(=O)N[C@@](C)(C(=O)NCCN1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000431355436 1186410368 /nfs/dbraw/zinc/41/03/68/1186410368.db2.gz ANLWCGCYSBHZIQ-GOSISDBHSA-N 0 3 381.498 0.653 20 0 GCADHN CN(C)Cc1ccc(N2CCN(C(=O)NC[C@H]3CCN(C)C(=O)C3)CC2)nc1 ZINC000582118801 1186425032 /nfs/dbraw/zinc/42/50/32/1186425032.db2.gz OEHBWPCHIBLPOS-INIZCTEOSA-N 0 3 388.516 0.843 20 0 GCADHN CN(C)[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C[C@@H]1O ZINC000582131467 1186427289 /nfs/dbraw/zinc/42/72/89/1186427289.db2.gz IWSURYOMVSUSQF-KBPBESRZSA-N 0 3 394.415 0.698 20 0 GCADHN C[C@@H]1[C@H](C)NCCN1C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000277488045 1186427566 /nfs/dbraw/zinc/42/75/66/1186427566.db2.gz NIQIUWAFLLTREO-AUPUMLSVSA-N 0 3 393.509 0.930 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCc1ccc(OC(F)F)cn1 ZINC000511080102 1186427627 /nfs/dbraw/zinc/42/76/27/1186427627.db2.gz FAIDLRLWFBAMFE-UHFFFAOYSA-N 0 3 399.442 0.395 20 0 GCADHN O=C(NCCN1CCNC(=O)C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277511846 1186457946 /nfs/dbraw/zinc/45/79/46/1186457946.db2.gz QNYQTHRAVUSZGJ-GOSISDBHSA-N 0 3 389.500 0.009 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(OC)c(C)c(OC)c2)CC1=O ZINC000582196926 1186461383 /nfs/dbraw/zinc/46/13/83/1186461383.db2.gz BANWBVUXDPXZCR-MRXNPFEDSA-N 0 3 393.484 0.921 20 0 GCADHN O=C1C[C@@H](NCc2ccc(O[C@@H]3CCOC3)cc2)CN1CCN1CCOCC1 ZINC000657368486 1186468279 /nfs/dbraw/zinc/46/82/79/1186468279.db2.gz XMNGTRHWEQOBFE-UYAOXDASSA-N 0 3 389.496 0.877 20 0 GCADHN CN1CCC[C@@H](NC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000892236923 1186482583 /nfs/dbraw/zinc/48/25/83/1186482583.db2.gz HHYZOLWNYQZLCR-KGLIPLIRSA-N 0 3 395.504 0.600 20 0 GCADHN COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1S(=O)(=O)NC(C)C ZINC000582269169 1186483290 /nfs/dbraw/zinc/48/32/90/1186483290.db2.gz SUUSGFHOXXZFQK-KBPBESRZSA-N 0 3 385.486 0.129 20 0 GCADHN C[C@@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@H](C(N)=O)O1 ZINC000277531684 1186483316 /nfs/dbraw/zinc/48/33/16/1186483316.db2.gz SNFHXEVZUNNWNG-KBAYOESNSA-N 0 3 390.484 0.562 20 0 GCADHN C[C@H](NCC(=O)N1CCNCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000582354528 1186502165 /nfs/dbraw/zinc/50/21/65/1186502165.db2.gz XBSNSVCMSVCQSA-INIZCTEOSA-N 0 3 394.541 0.944 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCc2cccc(NS(C)(=O)=O)c2)CC1=O ZINC000468230604 1186503302 /nfs/dbraw/zinc/50/33/02/1186503302.db2.gz MXVVLBFFYOBYNX-CQSZACIVSA-N 0 3 382.486 0.084 20 0 GCADHN CS(=O)(=O)C1(CNC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CCC1 ZINC000582360289 1186503409 /nfs/dbraw/zinc/50/34/09/1186503409.db2.gz HWBOSQWFLXPSHW-OAHLLOKOSA-N 0 3 379.482 0.155 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccnc(OCC(F)(F)F)c3)CCN2C1=O ZINC000582372006 1186507295 /nfs/dbraw/zinc/50/72/95/1186507295.db2.gz UEYLTPMIVSSYAC-NWDGAFQWSA-N 0 3 387.362 0.476 20 0 GCADHN CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN[C@@H]1CCOC12CCOCC2 ZINC000934400735 1186507934 /nfs/dbraw/zinc/50/79/34/1186507934.db2.gz ZFEHEOFKSBRVDD-GFCCVEGCSA-N 0 3 381.395 0.393 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC001022726326 1186511348 /nfs/dbraw/zinc/51/13/48/1186511348.db2.gz DHMKCLZSVHTOHV-VVLHAWIVSA-N 0 3 390.528 0.502 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000158613882 1186523907 /nfs/dbraw/zinc/52/39/07/1186523907.db2.gz XQPYAOYWGNNFJE-MRXNPFEDSA-N 0 3 391.497 0.996 20 0 GCADHN CC1CCN([C@@H](CNC(=O)C(=O)N2CCN(C)C(=O)C2)c2ccccc2)CC1 ZINC000563349017 1186524452 /nfs/dbraw/zinc/52/44/52/1186524452.db2.gz GGABMDMSLNCYCN-SFHVURJKSA-N 0 3 386.496 0.876 20 0 GCADHN Cc1cnc([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000582449706 1186535185 /nfs/dbraw/zinc/53/51/85/1186535185.db2.gz MIFKADUECCJRDV-CQSZACIVSA-N 0 3 393.513 0.395 20 0 GCADHN COCCN1[C@H](C)CN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C[C@@H]1C ZINC000370931826 1186535274 /nfs/dbraw/zinc/53/52/74/1186535274.db2.gz ZIQZQUDPFGHVCT-OTWHNJEPSA-N 0 3 397.564 0.144 20 0 GCADHN CCOC(=O)N1C[C@H](NC(=O)NCCN(C)Cc2ccccc2)[C@@H](CO)C1 ZINC000892262526 1186535523 /nfs/dbraw/zinc/53/55/23/1186535523.db2.gz KRJSSMCACKVYRF-SJORKVTESA-N 0 3 378.473 0.867 20 0 GCADHN CO[C@@](C)([C@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)C1CC1 ZINC000582481480 1186547124 /nfs/dbraw/zinc/54/71/24/1186547124.db2.gz IQOWIEXTTRFOEH-CDXJDZJCSA-N 0 3 394.560 0.933 20 0 GCADHN C[C@@H](CNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000119871792 1186547493 /nfs/dbraw/zinc/54/74/93/1186547493.db2.gz QQMQKCYYWJOPKK-LPHOPBHVSA-N 0 3 378.521 0.561 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)O1 ZINC000277643982 1186549635 /nfs/dbraw/zinc/54/96/35/1186549635.db2.gz MCFWDXOGTRWUFW-KURKYZTESA-N 0 3 390.484 0.610 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000431441588 1186560590 /nfs/dbraw/zinc/56/05/90/1186560590.db2.gz TYBQVZJERBDGQV-UHFFFAOYSA-N 0 3 397.541 0.895 20 0 GCADHN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000582556542 1186566174 /nfs/dbraw/zinc/56/61/74/1186566174.db2.gz FZUWXBGGVSOTRR-IAGOWNOFSA-N 0 3 386.496 0.874 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@]2(O)CN3CCC2CC3)cc1 ZINC000563397688 1186571321 /nfs/dbraw/zinc/57/13/21/1186571321.db2.gz NIYVCBUETQROQL-SFHVURJKSA-N 0 3 381.498 0.236 20 0 GCADHN Cc1cc(CNC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)no1 ZINC000148368865 1186587065 /nfs/dbraw/zinc/58/70/65/1186587065.db2.gz QCJDUQZQNSMAHJ-UHFFFAOYSA-N 0 3 399.451 0.935 20 0 GCADHN CCc1nc(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cs1 ZINC000582623275 1186588639 /nfs/dbraw/zinc/58/86/39/1186588639.db2.gz CIQXQHBCPMRQFV-MRXNPFEDSA-N 0 3 393.557 0.949 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1nc(-c2cnn(C)c2)ns1 ZINC000934559371 1186588839 /nfs/dbraw/zinc/58/88/39/1186588839.db2.gz YSEQTZIFGVJLFL-SNVBAGLBSA-N 0 3 378.462 0.522 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CCOCC1 ZINC000582626657 1186590084 /nfs/dbraw/zinc/59/00/84/1186590084.db2.gz CXQXGZBHALUGOX-SJORKVTESA-N 0 3 394.516 0.073 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N(C)Cc1ccccc1S(N)(=O)=O ZINC000431465602 1186591424 /nfs/dbraw/zinc/59/14/24/1186591424.db2.gz PFWIJRMPDOLRCD-HNNXBMFYSA-N 0 3 397.545 0.501 20 0 GCADHN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCC3CCN(C4CC4)CC3)cnc21 ZINC000277765307 1186596313 /nfs/dbraw/zinc/59/63/13/1186596313.db2.gz RRIPDQIPZUGPFT-UHFFFAOYSA-N 0 3 393.469 0.187 20 0 GCADHN COc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1=O ZINC000582719902 1186624083 /nfs/dbraw/zinc/62/40/83/1186624083.db2.gz HLPVMYATMWSWAQ-HOCLYGCPSA-N 0 3 398.467 0.962 20 0 GCADHN CCN(CC)C(=O)N1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000074654409 1186626240 /nfs/dbraw/zinc/62/62/40/1186626240.db2.gz WHMVGVMKMCDKQE-KRWDZBQOSA-N 0 3 382.553 0.659 20 0 GCADHN Cn1cc(-c2nc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)cs2)cn1 ZINC000152596985 1186666775 /nfs/dbraw/zinc/66/67/75/1186666775.db2.gz CGQCWJAXUYXSLX-OAHLLOKOSA-N 0 3 388.497 0.922 20 0 GCADHN O=C(Nc1cncc(OCC(F)(F)F)n1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000657630155 1186671058 /nfs/dbraw/zinc/67/10/58/1186671058.db2.gz VRNIOXCLWASIHK-NSHDSACASA-N 0 3 387.362 0.957 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)[C@@H]3CCCN(C)C3)CC2)cn1C ZINC000153414576 1186702033 /nfs/dbraw/zinc/70/20/33/1186702033.db2.gz YBJZIAJTGKRXRI-MRXNPFEDSA-N 0 3 397.545 0.682 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3CCN(C(=O)C4(N(C)C)CCC4)C[C@H]32)C1 ZINC000972403118 1186705645 /nfs/dbraw/zinc/70/56/45/1186705645.db2.gz XIRPCWHIIOLTQJ-KLHDSHLOSA-N 0 3 376.501 0.445 20 0 GCADHN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611726360 1186709097 /nfs/dbraw/zinc/70/90/97/1186709097.db2.gz WCJQPKAWTAURRZ-XMTFNYHQSA-N 0 3 391.512 0.820 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCC(C)(C)C(C)(C)O)C2)CC1 ZINC000582839276 1186709118 /nfs/dbraw/zinc/70/91/18/1186709118.db2.gz NIKRDGGZYUWIRH-MRXNPFEDSA-N 0 3 382.549 0.527 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)NCC3(CO)COC3)cc2)CC1 ZINC000120524046 1186715213 /nfs/dbraw/zinc/71/52/13/1186715213.db2.gz WQBMKBQRJDQJIS-UHFFFAOYSA-N 0 3 376.501 0.632 20 0 GCADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000582872175 1186718562 /nfs/dbraw/zinc/71/85/62/1186718562.db2.gz BTRXEQSCBPZRGV-OAHLLOKOSA-N 0 3 396.532 0.319 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)NCc1ccc(OCCN2CCOCC2)cc1 ZINC000631146581 1186720409 /nfs/dbraw/zinc/72/04/09/1186720409.db2.gz FAOJQRWPTPIOLQ-KRWDZBQOSA-N 0 3 385.530 0.815 20 0 GCADHN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc1 ZINC000582916384 1186729110 /nfs/dbraw/zinc/72/91/10/1186729110.db2.gz OWEDTGLFYBUKPK-GDBMZVCRSA-N 0 3 395.529 0.637 20 0 GCADHN CN1CCN(CCCNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC000121135433 1186730497 /nfs/dbraw/zinc/73/04/97/1186730497.db2.gz ODCLATLLFINAKE-UHFFFAOYSA-N 0 3 394.541 0.766 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4cccc(Cl)c4)CC3)CCN2C1=O ZINC000582976281 1186740368 /nfs/dbraw/zinc/74/03/68/1186740368.db2.gz OUBYPEBMNXLKRO-LSDHHAIUSA-N 0 3 390.871 0.258 20 0 GCADHN COc1ccc(CN(C)C(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000162211697 1186744878 /nfs/dbraw/zinc/74/48/78/1186744878.db2.gz BRORPHAFJKDBHM-LJQANCHMSA-N 0 3 388.512 0.892 20 0 GCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000121961752 1186747093 /nfs/dbraw/zinc/74/70/93/1186747093.db2.gz XYLBBPKNOXFCRY-HNNXBMFYSA-N 0 3 396.557 0.907 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCOC[C@H]1CC1CCC1 ZINC000458393468 1186775120 /nfs/dbraw/zinc/77/51/20/1186775120.db2.gz LEGKGOVQARBORZ-LJQANCHMSA-N 0 3 382.549 0.977 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2csc(NC(C)=O)n2)CC1=O ZINC000583135893 1186778407 /nfs/dbraw/zinc/77/84/07/1186778407.db2.gz USIVYWYOPHPQKB-GFCCVEGCSA-N 0 3 383.474 0.010 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)[C@H](C)CN1 ZINC000583134013 1186779522 /nfs/dbraw/zinc/77/95/22/1186779522.db2.gz KBFPUCIQWALHTM-ZHALLVOQSA-N 0 3 387.528 0.300 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)[C@@H](C)CN1 ZINC000583134011 1186779604 /nfs/dbraw/zinc/77/96/04/1186779604.db2.gz KBFPUCIQWALHTM-AOIWGVFYSA-N 0 3 387.528 0.300 20 0 GCADHN CCOC(=O)c1nc(C2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC2)n[n-]1 ZINC000583153809 1186783117 /nfs/dbraw/zinc/78/31/17/1186783117.db2.gz POOKQFMNDVKEFD-UHFFFAOYSA-N 0 3 389.460 0.759 20 0 GCADHN CCOC(=O)c1nnc(C2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC2)[n-]1 ZINC000583153809 1186783120 /nfs/dbraw/zinc/78/31/20/1186783120.db2.gz POOKQFMNDVKEFD-UHFFFAOYSA-N 0 3 389.460 0.759 20 0 GCADHN COc1cccc(CNC(=O)[C@H](C)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000162598970 1186785331 /nfs/dbraw/zinc/78/53/31/1186785331.db2.gz VLUWVXDTHADYQX-QFBILLFUSA-N 0 3 388.512 0.938 20 0 GCADHN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC[C@H]1CCCCN1CCO ZINC000458411920 1186788356 /nfs/dbraw/zinc/78/83/56/1186788356.db2.gz AWPYLTVOVMQMPM-GOSISDBHSA-N 0 3 395.548 0.077 20 0 GCADHN COCCCN(C(=O)c1cc(S(N)(=O)=O)cnc1C)C1CCN(C)CC1 ZINC000569622648 1186791482 /nfs/dbraw/zinc/79/14/82/1186791482.db2.gz GACZYWSRQXOHQO-UHFFFAOYSA-N 0 3 384.502 0.610 20 0 GCADHN O=C(Cc1cnn(-c2ccccc2)n1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728551781 1186791855 /nfs/dbraw/zinc/79/18/55/1186791855.db2.gz NWWFLWPODYZLIN-UHFFFAOYSA-N 0 3 382.468 0.576 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000583194738 1186792441 /nfs/dbraw/zinc/79/24/41/1186792441.db2.gz NROASGMCVIZQQS-DLBZAZTESA-N 0 3 380.533 0.689 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2nc3ccccc3c(=O)n2CCO)CC1 ZINC000892329974 1186796616 /nfs/dbraw/zinc/79/66/16/1186796616.db2.gz DZIVRUKSCCXBFD-UHFFFAOYSA-N 0 3 387.484 0.379 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3cccc(CN4CCCCC4=O)c3)CCN2C1=O ZINC000583215845 1186797628 /nfs/dbraw/zinc/79/76/28/1186797628.db2.gz ZXDRUQZYPXABIA-SJORKVTESA-N 0 3 385.468 0.975 20 0 GCADHN NC(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OCC(F)F)c1 ZINC000583214931 1186799568 /nfs/dbraw/zinc/79/95/68/1186799568.db2.gz KKCKZHKCNSUHMB-GHMZBOCLSA-N 0 3 397.382 0.205 20 0 GCADHN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000278146298 1186802119 /nfs/dbraw/zinc/80/21/19/1186802119.db2.gz AMKHDZGZORSSJQ-CQSZACIVSA-N 0 3 397.545 0.325 20 0 GCADHN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccn1)[C@@H]1CN2CCN1CCC2 ZINC000583238488 1186804815 /nfs/dbraw/zinc/80/48/15/1186804815.db2.gz AUVSKTMUNQQCSK-HNNXBMFYSA-N 0 3 379.486 0.195 20 0 GCADHN CO[C@H](CN)C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc32)CC1 ZINC000583258304 1186810082 /nfs/dbraw/zinc/81/00/82/1186810082.db2.gz WDCLZUBRKDIYQR-OAHLLOKOSA-N 0 3 392.481 0.350 20 0 GCADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000685110009 1186813268 /nfs/dbraw/zinc/81/32/68/1186813268.db2.gz RIYLVIIQBFOSKL-RBUKOAKNSA-N 0 3 389.496 0.623 20 0 GCADHN CCN1CCN([C@@H]2CCN(CC(=O)N3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000155667071 1186822062 /nfs/dbraw/zinc/82/20/62/1186822062.db2.gz ZFISQPJNEBTTTH-LJQANCHMSA-N 0 3 389.544 0.636 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000583324729 1186825469 /nfs/dbraw/zinc/82/54/69/1186825469.db2.gz IRVMAHPUENWSRT-SUMDDJOVSA-N 0 3 376.501 0.492 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCNC(=O)C[C@H]1C ZINC000685119996 1186826681 /nfs/dbraw/zinc/82/66/81/1186826681.db2.gz NXNXTFOZAQPSFE-AEFFLSMTSA-N 0 3 388.512 0.996 20 0 GCADHN CCOc1cc(Cl)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583333867 1186828818 /nfs/dbraw/zinc/82/88/18/1186828818.db2.gz IGFTXVBLPUOPNY-ZIAGYGMSSA-N 0 3 394.859 0.125 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3C)[C@H]2C1 ZINC000583340613 1186831054 /nfs/dbraw/zinc/83/10/54/1186831054.db2.gz JJJOUSLVGOOBDW-ITQYTPKQSA-N 0 3 389.500 0.570 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CCN2C1=O ZINC000583392439 1186842850 /nfs/dbraw/zinc/84/28/50/1186842850.db2.gz GQVHUYWBBIQRQJ-BHYGNILZSA-N 0 3 388.443 0.448 20 0 GCADHN CN(C)CCn1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)ccc1=O ZINC000536010078 1186844901 /nfs/dbraw/zinc/84/49/01/1186844901.db2.gz DDZSQAAYTFBZDW-UHFFFAOYSA-N 0 3 381.458 0.241 20 0 GCADHN COc1ccc(Nc2cc(N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ncn2)c(OC)c1 ZINC000583451975 1186857519 /nfs/dbraw/zinc/85/75/19/1186857519.db2.gz OOVHZVIYSUXCEC-TZMCWYRMSA-N 0 3 384.440 0.986 20 0 GCADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)n(-c2ccc(F)cc2)n1 ZINC000583451720 1186857624 /nfs/dbraw/zinc/85/76/24/1186857624.db2.gz FENALEHCJMSMKC-HOTGVXAUSA-N 0 3 386.431 0.502 20 0 GCADHN CCOCC[C@H](O)CNCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000583495008 1186870728 /nfs/dbraw/zinc/87/07/28/1186870728.db2.gz NOHJATYRGAXUBP-KRWDZBQOSA-N 0 3 385.530 0.500 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCCOC1CCCCC1)CN1CCN(C)CC1 ZINC000583514847 1186876696 /nfs/dbraw/zinc/87/66/96/1186876696.db2.gz UVOBUAPNUNPPCG-QGZVFWFLSA-N 0 3 382.549 0.842 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cncc(N(C)C)c1 ZINC000635058224 1186887912 /nfs/dbraw/zinc/88/79/12/1186887912.db2.gz KESWUEWOTNXKEW-INIZCTEOSA-N 0 3 390.488 0.145 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000458594505 1186889826 /nfs/dbraw/zinc/88/98/26/1186889826.db2.gz XEUAFCSMZXKLSA-CHWSQXEVSA-N 0 3 380.411 0.686 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000583589079 1186893099 /nfs/dbraw/zinc/89/30/99/1186893099.db2.gz BZCLECMLZNUXRR-HOTGVXAUSA-N 0 3 396.532 0.367 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685166295 1186896977 /nfs/dbraw/zinc/89/69/77/1186896977.db2.gz LEDJDGDWEIPDNW-FMKPAKJESA-N 0 3 390.488 0.021 20 0 GCADHN CC(C)CN1CCC[C@H](CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000163265524 1186898339 /nfs/dbraw/zinc/89/83/39/1186898339.db2.gz TURTWDDZQSERMD-OAHLLOKOSA-N 0 3 380.514 0.968 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685167264 1186898453 /nfs/dbraw/zinc/89/84/53/1186898453.db2.gz CBGLEUVMBQTILC-HOCLYGCPSA-N 0 3 392.504 0.076 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C)c1ccc(Cl)cc1 ZINC000583621689 1186902230 /nfs/dbraw/zinc/90/22/30/1186902230.db2.gz VWDUMCHJLRBYJR-IRXDYDNUSA-N 0 3 395.935 0.421 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C)c1ccc(Cl)cc1 ZINC000583621687 1186902248 /nfs/dbraw/zinc/90/22/48/1186902248.db2.gz VWDUMCHJLRBYJR-DLBZAZTESA-N 0 3 395.935 0.421 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)CC[C@@H]1CCCO1 ZINC000467133480 1186909598 /nfs/dbraw/zinc/90/95/98/1186909598.db2.gz JMBCYYBLJMDFTP-ZBFHGGJFSA-N 0 3 383.514 0.882 20 0 GCADHN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@@H](CN(C)C)C1 ZINC000246286833 1186916313 /nfs/dbraw/zinc/91/63/13/1186916313.db2.gz IEGANBVRYUNGOD-CVEARBPZSA-N 0 3 378.473 0.215 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000583700163 1186920918 /nfs/dbraw/zinc/92/09/18/1186920918.db2.gz MAXXSFVDLQIGMS-GOSISDBHSA-N 0 3 383.514 0.723 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cnccc3-c3cccc(F)c3)CCN2C1=O ZINC000583704306 1186922073 /nfs/dbraw/zinc/92/20/73/1186922073.db2.gz CAQATGWRLDSMOZ-HOCLYGCPSA-N 0 3 397.410 0.597 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)CCN2C1=O ZINC000583704743 1186923852 /nfs/dbraw/zinc/92/38/52/1186923852.db2.gz PHSJXQZCACWEGF-RBUKOAKNSA-N 0 3 398.507 0.628 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583711736 1186924383 /nfs/dbraw/zinc/92/43/83/1186924383.db2.gz ZITLIGCNJMKYLE-JKSUJKDBSA-N 0 3 379.505 0.430 20 0 GCADHN COc1ccc(OC2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000583743208 1186929267 /nfs/dbraw/zinc/92/92/67/1186929267.db2.gz XAWIDEHBZSBYFC-QGZVFWFLSA-N 0 3 377.441 0.170 20 0 GCADHN CN(C(=O)N[C@@H]1CCC(=O)N(C)C1=O)C1CCN(CCc2ccccn2)CC1 ZINC000583749484 1186931547 /nfs/dbraw/zinc/93/15/47/1186931547.db2.gz WPWQFZRJENBQMR-QGZVFWFLSA-N 0 3 387.484 0.877 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCN2C1=O ZINC000583764941 1186934892 /nfs/dbraw/zinc/93/48/92/1186934892.db2.gz ZSUOBQKLGCQJED-CBBWQLFWSA-N 0 3 376.844 0.083 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000583764760 1186935216 /nfs/dbraw/zinc/93/52/16/1186935216.db2.gz SXFGTLQHEUDZMA-ZYHUDNBSSA-N 0 3 386.330 0.294 20 0 GCADHN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728575854 1186936328 /nfs/dbraw/zinc/93/63/28/1186936328.db2.gz KIVNSRVEQSSVIB-ZDUSSCGKSA-N 0 3 393.513 0.414 20 0 GCADHN CCS(=O)(=O)NCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000536124778 1186936916 /nfs/dbraw/zinc/93/69/16/1186936916.db2.gz VGVABPHBQLCJBK-UHFFFAOYSA-N 0 3 382.486 0.262 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000583780632 1186938491 /nfs/dbraw/zinc/93/84/91/1186938491.db2.gz VVOZOLIFNFHDPU-OAHLLOKOSA-N 0 3 380.533 0.940 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCCN(CC(F)(F)F)CC1)C1=CCN(C)CC1 ZINC000583780078 1186938539 /nfs/dbraw/zinc/93/85/39/1186938539.db2.gz ZAWLHKQUAIELNQ-CYBMUJFWSA-N 0 3 376.423 0.850 20 0 GCADHN O=C(NC[C@H]1CNCCO1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 ZINC000583811564 1186943257 /nfs/dbraw/zinc/94/32/57/1186943257.db2.gz JMAZYXJYMJAIOP-OAHLLOKOSA-N 0 3 376.438 0.023 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000583824147 1186945799 /nfs/dbraw/zinc/94/57/99/1186945799.db2.gz UZOILPDFZPHIIH-APHBMKBZSA-N 0 3 384.436 0.078 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000685214759 1186948741 /nfs/dbraw/zinc/94/87/41/1186948741.db2.gz MGFYTROBIIHUQM-KSZLIROESA-N 0 3 386.496 0.750 20 0 GCADHN Cc1ccc2c(c1)CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)C2 ZINC000583858069 1186952832 /nfs/dbraw/zinc/95/28/32/1186952832.db2.gz RDPRZMJALFXPOP-LJQANCHMSA-N 0 3 398.507 0.645 20 0 GCADHN CC[C@H]1CN(C)CCN1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000583856818 1186952877 /nfs/dbraw/zinc/95/28/77/1186952877.db2.gz YVRFVTLESCQBGE-KRWDZBQOSA-N 0 3 375.521 0.724 20 0 GCADHN COc1cc(C)c([C@H](C)NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC ZINC000583945677 1186965726 /nfs/dbraw/zinc/96/57/26/1186965726.db2.gz CKTXYOAXWYLULI-SQWLQELKSA-N 0 3 390.484 0.433 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cc(F)cc2nccnc21 ZINC000536173804 1186970001 /nfs/dbraw/zinc/97/00/01/1186970001.db2.gz HTMVXXKEZNMTFJ-UHFFFAOYSA-N 0 3 375.448 0.889 20 0 GCADHN C[C@@H](NC(=O)c1ccccc1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000536181605 1186974246 /nfs/dbraw/zinc/97/42/46/1186974246.db2.gz ZPWBNLWXJASJON-QGZVFWFLSA-N 0 3 376.501 0.311 20 0 GCADHN CSc1cccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2=O)c1 ZINC000584005361 1186978253 /nfs/dbraw/zinc/97/82/53/1186978253.db2.gz QXXMYHCJDAPMDI-INWMFGNUSA-N 0 3 388.493 0.532 20 0 GCADHN O=C(NC[C@@H]1CCCN(CCN2C(=O)CNC2=O)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001023497189 1186982121 /nfs/dbraw/zinc/98/21/21/1186982121.db2.gz AISLOPCGHQYJIN-QBYUYEEZSA-N 0 3 378.473 0.182 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)C1 ZINC000584067476 1186992558 /nfs/dbraw/zinc/99/25/58/1186992558.db2.gz SDTAPRBVSNEKDX-IAGOWNOFSA-N 0 3 381.517 0.879 20 0 GCADHN CCN1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H]1c1ncc[nH]1 ZINC000584081411 1186996261 /nfs/dbraw/zinc/99/62/61/1186996261.db2.gz VCKVIPUEZAAGTP-CVEARBPZSA-N 0 3 390.532 0.852 20 0 GCADHN CC[C@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1CCOCC1 ZINC000584118067 1187001257 /nfs/dbraw/zinc/00/12/57/1187001257.db2.gz GKQCCZGTWILOOV-IRXDYDNUSA-N 0 3 396.532 0.367 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000151652047 1187006105 /nfs/dbraw/zinc/00/61/05/1187006105.db2.gz GVALLXRPILLBBG-HOCLYGCPSA-N 0 3 393.513 0.376 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000584150869 1187006616 /nfs/dbraw/zinc/00/66/16/1187006616.db2.gz REEKNOJPNLLZLX-CYBMUJFWSA-N 0 3 393.513 0.629 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000151673931 1187010777 /nfs/dbraw/zinc/01/07/77/1187010777.db2.gz DXWSAXGCCRWOSM-CQSZACIVSA-N 0 3 386.518 0.533 20 0 GCADHN CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000657834284 1187012714 /nfs/dbraw/zinc/01/27/14/1187012714.db2.gz ZUMHWOOCCPVYDM-UHFFFAOYSA-N 0 3 396.513 0.965 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000584193748 1187012999 /nfs/dbraw/zinc/01/29/99/1187012999.db2.gz CYIVKLMVEYUDNG-MJGOQNOKSA-N 0 3 388.447 0.477 20 0 GCADHN CCN1CCN(CCNC(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000375744588 1187016418 /nfs/dbraw/zinc/01/64/18/1187016418.db2.gz RWZREWGQWHYPPL-INIZCTEOSA-N 0 3 384.521 0.766 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)CN1C1CC1 ZINC000685277347 1187020240 /nfs/dbraw/zinc/02/02/40/1187020240.db2.gz GPSLNLZKSYFYRJ-BZUAXINKSA-N 0 3 378.517 0.440 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn(C)nn1)C2 ZINC001111517747 1187025933 /nfs/dbraw/zinc/02/59/33/1187025933.db2.gz JJWNBUOLAPUIQI-XDNAFOTISA-N 0 3 379.505 0.503 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCN(C(=O)Nc4ccccc4)C3)CCN2C1=O ZINC000584302698 1187028797 /nfs/dbraw/zinc/02/87/97/1187028797.db2.gz LLDSAVMGNGAJCP-OWCLPIDISA-N 0 3 386.456 0.246 20 0 GCADHN C[C@H](O)CN1CCN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C[C@@H]1C ZINC000248638356 1187029388 /nfs/dbraw/zinc/02/93/88/1187029388.db2.gz QUWNAFZJSSCJBO-IRXDYDNUSA-N 0 3 390.532 0.430 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]21 ZINC000972608188 1187037866 /nfs/dbraw/zinc/03/78/66/1187037866.db2.gz RRRFQBPNXSDGAI-NRSFXHEJSA-N 0 3 384.480 0.543 20 0 GCADHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(S(N)(=O)=O)c(Cl)c2)cn1 ZINC000584376317 1187044603 /nfs/dbraw/zinc/04/46/03/1187044603.db2.gz JHBPEVKNZGTBKC-CJNGLKHVSA-N 0 3 397.888 0.830 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)CC1 ZINC000136244953 1187048840 /nfs/dbraw/zinc/04/88/40/1187048840.db2.gz HITRINYEXZQPIG-UHFFFAOYSA-N 0 3 384.484 0.958 20 0 GCADHN CN1C(=O)CC[C@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000584406954 1187052909 /nfs/dbraw/zinc/05/29/09/1187052909.db2.gz CTOMMFHEWCHNAT-IRXDYDNUSA-N 0 3 388.468 0.724 20 0 GCADHN COCCOC[C@@H](O)CNCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000584405764 1187052941 /nfs/dbraw/zinc/05/29/41/1187052941.db2.gz ZDUGFTJDIZZOMI-KRWDZBQOSA-N 0 3 386.514 0.975 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000685303337 1187058781 /nfs/dbraw/zinc/05/87/81/1187058781.db2.gz AKVCNUUDYUNANF-PBHICJAKSA-N 0 3 376.526 0.991 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000685306295 1187062778 /nfs/dbraw/zinc/06/27/78/1187062778.db2.gz AUNIYSMRYYUITI-BQFCYCMXSA-N 0 3 378.517 0.156 20 0 GCADHN CCc1nc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)sc1C ZINC000375759723 1187068212 /nfs/dbraw/zinc/06/82/12/1187068212.db2.gz YFBSBYZODPULHU-CQSZACIVSA-N 0 3 393.513 0.717 20 0 GCADHN COCCN1CCC(NC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000140411875 1187078555 /nfs/dbraw/zinc/07/85/55/1187078555.db2.gz VMGICKDRVDZZCH-MRXNPFEDSA-N 0 3 390.550 0.601 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)NC2CCN(CCOC)CC2)CC1 ZINC000140311189 1187079942 /nfs/dbraw/zinc/07/99/42/1187079942.db2.gz SBDLJJBAEGATMW-UHFFFAOYSA-N 0 3 390.550 0.601 20 0 GCADHN Cc1nc(=O)[nH]c(C)c1CCC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000428033842 1187088166 /nfs/dbraw/zinc/08/81/66/1187088166.db2.gz NDNKTALASHIOQH-INIZCTEOSA-N 0 3 377.489 0.791 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CNC(=O)COc2ccccc2)CC1 ZINC000375768618 1187091145 /nfs/dbraw/zinc/09/11/45/1187091145.db2.gz ARHUSVACJQOQCB-KRWDZBQOSA-N 0 3 388.468 0.122 20 0 GCADHN COCCN1CCC(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000138616742 1187096441 /nfs/dbraw/zinc/09/64/41/1187096441.db2.gz CXSOSRFPPMRRFK-UHFFFAOYSA-N 0 3 387.477 0.721 20 0 GCADHN Cc1nnnn1-c1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c(F)c1 ZINC000618300522 1187098816 /nfs/dbraw/zinc/09/88/16/1187098816.db2.gz VGOBUOIELZGZFU-UHFFFAOYSA-N 0 3 377.424 0.202 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000685338992 1187103073 /nfs/dbraw/zinc/10/30/73/1187103073.db2.gz BPMPKPVKEDTQHZ-UHOSZYNNSA-N 0 3 388.512 0.555 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)o1 ZINC000685340160 1187103786 /nfs/dbraw/zinc/10/37/86/1187103786.db2.gz PKAQSBXKTPMGFD-DOTOQJQBSA-N 0 3 380.489 0.314 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)[C@H]1CN(C)CCO1 ZINC000685338696 1187106672 /nfs/dbraw/zinc/10/66/72/1187106672.db2.gz DZKGJMYFPBLCHW-AEGPPILISA-N 0 3 390.488 0.223 20 0 GCADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CN(C)CCO1 ZINC000685342484 1187107842 /nfs/dbraw/zinc/10/78/42/1187107842.db2.gz YWNCWSRDCGSIAW-GOEBONIOSA-N 0 3 382.530 0.474 20 0 GCADHN C[C@@H](C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)N1CCN(C)CC1 ZINC000431577166 1187118471 /nfs/dbraw/zinc/11/84/71/1187118471.db2.gz WICVWXGLBHBGMX-INIZCTEOSA-N 0 3 381.565 0.365 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000685444717 1187129277 /nfs/dbraw/zinc/12/92/77/1187129277.db2.gz ZBTAAQXVSFDDDG-CQSZACIVSA-N 0 3 379.505 0.405 20 0 GCADHN COCCN1CCC(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000140171553 1187131818 /nfs/dbraw/zinc/13/18/18/1187131818.db2.gz NDKVQORYPJAALK-UHFFFAOYSA-N 0 3 384.502 0.287 20 0 GCADHN Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000685520144 1187142396 /nfs/dbraw/zinc/14/23/96/1187142396.db2.gz AJHNWPFMQXZDJN-INIZCTEOSA-N 0 3 388.516 0.670 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000685520029 1187142728 /nfs/dbraw/zinc/14/27/28/1187142728.db2.gz IPLJXWLAOFIHEK-INIZCTEOSA-N 0 3 390.484 0.801 20 0 GCADHN C[C@@H](CN1CCN(C)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000892401531 1187153806 /nfs/dbraw/zinc/15/38/06/1187153806.db2.gz FXNQEQJLWNLSDD-INIZCTEOSA-N 0 3 382.530 0.755 20 0 GCADHN CN(CCNCC(=O)NC(C1CC1)C1CC1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001267407685 1187169856 /nfs/dbraw/zinc/16/98/56/1187169856.db2.gz YNWBWIPCLPLDQX-TXPKVOOTSA-N 0 3 379.501 0.391 20 0 GCADHN O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000685602770 1187177730 /nfs/dbraw/zinc/17/77/30/1187177730.db2.gz SZAOQWYTTRYDNU-INIZCTEOSA-N 0 3 399.488 0.817 20 0 GCADHN O=C(CNS(=O)(=O)c1ccccc1F)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000685602625 1187177878 /nfs/dbraw/zinc/17/78/78/1187177878.db2.gz HXRPQBKUMLVBQZ-OAHLLOKOSA-N 0 3 399.488 0.817 20 0 GCADHN CN1CCN(C)[C@H](CNC(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000431615699 1187179669 /nfs/dbraw/zinc/17/96/69/1187179669.db2.gz ACCHQIQXAPDDBB-QGZVFWFLSA-N 0 3 396.580 0.158 20 0 GCADHN CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC001023965181 1187197669 /nfs/dbraw/zinc/19/76/69/1187197669.db2.gz XQBSBSPCTOBCDI-HZMVEIRTSA-N 0 3 381.517 0.610 20 0 GCADHN O=C(NCc1nc(C[NH2+]C[C@@H]2CCCOC2)cc(=O)[n-]1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001087260473 1187222554 /nfs/dbraw/zinc/22/25/54/1187222554.db2.gz NZSCTAAKPGYIKM-XZDPQHSOSA-N 0 3 376.457 0.882 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CCn2cnc3c2ncnc3N)C[C@@H](C)O1 ZINC000612055290 1187244350 /nfs/dbraw/zinc/24/43/50/1187244350.db2.gz FCRKUNQSCOQBRS-ZIAGYGMSSA-N 0 3 375.477 0.804 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000612043409 1187244593 /nfs/dbraw/zinc/24/45/93/1187244593.db2.gz FXXWLKKXQISGPQ-BBWFWOEESA-N 0 3 376.501 0.590 20 0 GCADHN O=C(C(=O)N1CCN(C2CCCCC2)CC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000658129161 1187248315 /nfs/dbraw/zinc/24/83/15/1187248315.db2.gz UGDVWHVNMQTWIE-SFHVURJKSA-N 0 3 392.544 0.644 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000472356135 1187250113 /nfs/dbraw/zinc/25/01/13/1187250113.db2.gz OMDIAMMRMPSKRV-OAHLLOKOSA-N 0 3 380.455 0.377 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001024128518 1187258263 /nfs/dbraw/zinc/25/82/63/1187258263.db2.gz SNPMJCIGKHOCTP-PILAGYSTSA-N 0 3 375.469 0.475 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C1 ZINC000658261242 1187262266 /nfs/dbraw/zinc/26/22/66/1187262266.db2.gz ISBYXZOCEYPQLE-AWEZNQCLSA-N 0 3 376.457 0.868 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000658264290 1187262378 /nfs/dbraw/zinc/26/23/78/1187262378.db2.gz PSUDJCJKRBUNHK-CQSZACIVSA-N 0 3 379.482 0.944 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1O ZINC001024135090 1187262507 /nfs/dbraw/zinc/26/25/07/1187262507.db2.gz LWQCBWAPSPZWAT-IRIQXGSBSA-N 0 3 399.491 0.473 20 0 GCADHN CCn1c([C@H]2CCO[C@@H]2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000647385181 1187264886 /nfs/dbraw/zinc/26/48/86/1187264886.db2.gz JELBOLDGVTUTNQ-CVEARBPZSA-N 0 3 376.505 0.935 20 0 GCADHN CC1(C)CO[C@H](CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCC(=O)NC2=O)C3)C1 ZINC001098165639 1187267603 /nfs/dbraw/zinc/26/76/03/1187267603.db2.gz LKHQVCIBCXVDQZ-BARDWOONSA-N 0 3 378.473 0.465 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)O1 ZINC000972854606 1187281124 /nfs/dbraw/zinc/28/11/24/1187281124.db2.gz FIVTXWCLMYHMKU-BRSBDYLESA-N 0 3 392.544 0.497 20 0 GCADHN CCn1cc(CNC(=O)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)nn1 ZINC000658518982 1187321564 /nfs/dbraw/zinc/32/15/64/1187321564.db2.gz OPTLGRDSFNKNQL-UHFFFAOYSA-N 0 3 385.472 0.695 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658522159 1187328617 /nfs/dbraw/zinc/32/86/17/1187328617.db2.gz MITGMAVEGJQNSG-SJORKVTESA-N 0 3 394.516 0.027 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCCc2ccco2)CC1 ZINC000658534469 1187329242 /nfs/dbraw/zinc/32/92/42/1187329242.db2.gz CDVRNYCUCUSWOP-UHFFFAOYSA-N 0 3 376.457 0.095 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000658522983 1187329368 /nfs/dbraw/zinc/32/93/68/1187329368.db2.gz RZCXXDYRXSXFTP-GOSISDBHSA-N 0 3 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ZINC000612549490 1187520037 /nfs/dbraw/zinc/52/00/37/1187520037.db2.gz ZOMJFKBGNDOKIB-CVEARBPZSA-N 0 3 380.533 0.988 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)C1 ZINC000612543477 1187520277 /nfs/dbraw/zinc/52/02/77/1187520277.db2.gz PVQXMUFYFRCXGN-SJLPKXTDSA-N 0 3 375.469 0.893 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)C1 ZINC000612545652 1187521571 /nfs/dbraw/zinc/52/15/71/1187521571.db2.gz MBRDIJGGTXAFSD-KRWDZBQOSA-N 0 3 378.517 0.981 20 0 GCADHN O=C(C(=O)N1CCOC2(CCOCC2)C1)N1CCC[C@H]1CN1CCCCC1 ZINC000658803911 1187521681 /nfs/dbraw/zinc/52/16/81/1187521681.db2.gz ZPNOXZPJUPOFEH-KRWDZBQOSA-N 0 3 379.501 0.871 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(CCOc3ccccc3)CC2)C1 ZINC000612553463 1187521719 /nfs/dbraw/zinc/52/17/19/1187521719.db2.gz WHTWCFQKMXSGIM-SFHVURJKSA-N 0 3 388.512 0.810 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)C1 ZINC000612547413 1187523087 /nfs/dbraw/zinc/52/30/87/1187523087.db2.gz CVWLUBXVSNEIGC-INIZCTEOSA-N 0 3 377.489 0.536 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000375995504 1187532595 /nfs/dbraw/zinc/53/25/95/1187532595.db2.gz RJQYYYBXAJXMDR-IAGOWNOFSA-N 0 3 382.530 0.419 20 0 GCADHN CCS(=O)(=O)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000413830092 1187533035 /nfs/dbraw/zinc/53/30/35/1187533035.db2.gz HPAIEXQCDRISDO-QZTJIDSGSA-N 0 3 397.541 0.993 20 0 GCADHN O=C(C(=O)N1CCN(C[C@H]2CCCO2)CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000658810661 1187533159 /nfs/dbraw/zinc/53/31/59/1187533159.db2.gz NEKXLOYIYZHUIQ-RTBURBONSA-N 0 3 392.544 0.787 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000612595488 1187535146 /nfs/dbraw/zinc/53/51/46/1187535146.db2.gz HODMPFWVNUHNND-RDJZCZTQSA-N 0 3 377.441 0.549 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000612595336 1187535601 /nfs/dbraw/zinc/53/56/01/1187535601.db2.gz GQZKTYALYMDYEK-RTBURBONSA-N 0 3 387.480 0.956 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000612596959 1187536201 /nfs/dbraw/zinc/53/62/01/1187536201.db2.gz YIZFMCWOSJXNIA-OALUTQOASA-N 0 3 387.480 0.956 20 0 GCADHN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612596396 1187536232 /nfs/dbraw/zinc/53/62/32/1187536232.db2.gz ORNPESBOHXLETO-AEFFLSMTSA-N 0 3 389.500 0.762 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@]2(CCCOC2)O1 ZINC000612596533 1187536663 /nfs/dbraw/zinc/53/66/63/1187536663.db2.gz VXAMKDCKZRHGJP-SYNHAJSKSA-N 0 3 395.500 0.152 20 0 GCADHN COc1cccc(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)c1C ZINC000612590853 1187537132 /nfs/dbraw/zinc/53/71/32/1187537132.db2.gz FUOFNXRSJDBMMB-KRWDZBQOSA-N 0 3 375.469 0.989 20 0 GCADHN CN(C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@@H](CO)Cc1ccccc1 ZINC000612592371 1187538053 /nfs/dbraw/zinc/53/80/53/1187538053.db2.gz PKVGGICWGAGTAQ-RTBURBONSA-N 0 3 389.496 0.418 20 0 GCADHN C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612599394 1187538620 /nfs/dbraw/zinc/53/86/20/1187538620.db2.gz VICUPOMJDTVHPV-QFBILLFUSA-N 0 3 389.496 0.766 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000612599111 1187538739 /nfs/dbraw/zinc/53/87/39/1187538739.db2.gz PJMZAPITBHUXCC-CVEARBPZSA-N 0 3 377.441 0.549 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCOC[C@H]1c1ccco1 ZINC000612599112 1187538864 /nfs/dbraw/zinc/53/88/64/1187538864.db2.gz PJMZAPITBHUXCC-HOTGVXAUSA-N 0 3 377.441 0.549 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000612599165 1187538877 /nfs/dbraw/zinc/53/88/77/1187538877.db2.gz QEEVDJVNLCXWPB-HZPDHXFCSA-N 0 3 375.473 0.833 20 0 GCADHN COCCN(Cc1ccccn1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612600500 1187539426 /nfs/dbraw/zinc/53/94/26/1187539426.db2.gz HSTNJWRSBJDBDA-GOSISDBHSA-N 0 3 390.484 0.426 20 0 GCADHN COCCN(Cc1ccco1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612601678 1187540240 /nfs/dbraw/zinc/54/02/40/1187540240.db2.gz SJUYPIIWQWKICF-MRXNPFEDSA-N 0 3 379.457 0.624 20 0 GCADHN C[C@H](O)C1(NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000658813121 1187541573 /nfs/dbraw/zinc/54/15/73/1187541573.db2.gz MDGZVQSEEZGGBJ-NSHDSACASA-N 0 3 376.413 0.124 20 0 GCADHN COc1cc(OC)cc(N2CCCN(C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000570188425 1187544898 /nfs/dbraw/zinc/54/48/98/1187544898.db2.gz PUSKTLIRHLVBFF-SFHVURJKSA-N 0 3 378.473 0.914 20 0 GCADHN C[C@@H](NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C1=CCN(C)CC1 ZINC000511363390 1187559250 /nfs/dbraw/zinc/55/92/50/1187559250.db2.gz RIUMKROTOKZZJP-LLVKDONJSA-N 0 3 394.453 0.009 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)CO)CC1 ZINC000658824163 1187567259 /nfs/dbraw/zinc/56/72/59/1187567259.db2.gz WMGTUPIAHHBYIG-IRXDYDNUSA-N 0 3 396.532 0.009 20 0 GCADHN COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000511369535 1187569536 /nfs/dbraw/zinc/56/95/36/1187569536.db2.gz MYQOJHUIUVZUMJ-LLVKDONJSA-N 0 3 383.470 0.731 20 0 GCADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC1CC1 ZINC000612740160 1187570056 /nfs/dbraw/zinc/57/00/56/1187570056.db2.gz YQAJKRCGQUGDTL-INIZCTEOSA-N 0 3 376.505 0.985 20 0 GCADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1CC1 ZINC000612837560 1187600495 /nfs/dbraw/zinc/60/04/95/1187600495.db2.gz BNTJFPPCMLOLBT-UHFFFAOYSA-N 0 3 376.505 0.969 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1=O ZINC000413980864 1187624203 /nfs/dbraw/zinc/62/42/03/1187624203.db2.gz RNUDOKMRBQYAEC-CJNGLKHVSA-N 0 3 376.432 0.457 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCc3cnnn3C)c2)CC1 ZINC000511405389 1187631099 /nfs/dbraw/zinc/63/10/99/1187631099.db2.gz NZYZMVLWEBAEHQ-UHFFFAOYSA-N 0 3 385.472 0.600 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CCO)CC1 ZINC000658845806 1187639856 /nfs/dbraw/zinc/63/98/56/1187639856.db2.gz VBDNGKSOLWXVNP-DLBZAZTESA-N 0 3 396.532 0.009 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448320407 1187640945 /nfs/dbraw/zinc/64/09/45/1187640945.db2.gz UQEJSYUZXPAMRP-ZDUSSCGKSA-N 0 3 379.461 0.772 20 0 GCADHN CN(CCCN(C)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)Cc1ccco1 ZINC000658848733 1187645033 /nfs/dbraw/zinc/64/50/33/1187645033.db2.gz GSPYVIKOHHZNML-QGZVFWFLSA-N 0 3 392.500 0.493 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3cc[nH]n3)n2CC2CC2)CC1 ZINC000613087199 1187661274 /nfs/dbraw/zinc/66/12/74/1187661274.db2.gz GQRABGPQBGARPZ-INIZCTEOSA-N 0 3 384.488 0.821 20 0 GCADHN CCC[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)S(N)(=O)=O ZINC000613089858 1187663049 /nfs/dbraw/zinc/66/30/49/1187663049.db2.gz YSAYUBYIQBUHND-IXDOHACOSA-N 0 3 383.514 0.443 20 0 GCADHN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@H]1CN2CCN1CCC2 ZINC000376192641 1187663234 /nfs/dbraw/zinc/66/32/34/1187663234.db2.gz BDJWFIZEAFZLDL-MRXNPFEDSA-N 0 3 377.876 0.605 20 0 GCADHN CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000511425818 1187665321 /nfs/dbraw/zinc/66/53/21/1187665321.db2.gz NFVGRZPNCXOFCX-INIZCTEOSA-N 0 3 385.486 0.699 20 0 GCADHN CC(C)(CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)N1CCCCC1 ZINC000511433546 1187673197 /nfs/dbraw/zinc/67/31/97/1187673197.db2.gz VVSNRZICKVLLQW-UHFFFAOYSA-N 0 3 382.486 0.804 20 0 GCADHN CCOc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000376207638 1187675314 /nfs/dbraw/zinc/67/53/14/1187675314.db2.gz AOLJKHDCUAHSOZ-GOSISDBHSA-N 0 3 386.496 0.760 20 0 GCADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cnn(C[C@@H](O)CO)c2)cc1 ZINC000613172730 1187687485 /nfs/dbraw/zinc/68/74/85/1187687485.db2.gz IIYIHEBQPPOHFX-IEBWSBKVSA-N 0 3 388.468 0.812 20 0 GCADHN O=C(Cc1cccc(F)c1)NCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892534915 1187710625 /nfs/dbraw/zinc/71/06/25/1187710625.db2.gz ANUOPIXSFFIBJH-ZWKOTPCHSA-N 0 3 392.475 0.725 20 0 GCADHN O=C(Cc1cccc(F)c1)NCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892534913 1187710849 /nfs/dbraw/zinc/71/08/49/1187710849.db2.gz ANUOPIXSFFIBJH-QZTJIDSGSA-N 0 3 392.475 0.725 20 0 GCADHN C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000472533982 1187713459 /nfs/dbraw/zinc/71/34/59/1187713459.db2.gz GELHRTXOYDTSJE-DYVFJYSZSA-N 0 3 388.468 0.304 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@H]1O ZINC001024957849 1187715983 /nfs/dbraw/zinc/71/59/83/1187715983.db2.gz HXHZLALCASXNPC-ZDRJDWQYSA-N 0 3 378.473 0.400 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000376251914 1187722856 /nfs/dbraw/zinc/72/28/56/1187722856.db2.gz DFKBKMYRALEGDO-MSOLQXFVSA-N 0 3 379.549 0.914 20 0 GCADHN CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001746817010 1187731335 /nfs/dbraw/zinc/73/13/35/1187731335.db2.gz HWMPIXJLIZYHQY-LUKYLMHMSA-N 0 3 381.517 0.779 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(CC(=O)N3CCO[C@H](C)C3)CC2)CC1 ZINC000066568386 1187738055 /nfs/dbraw/zinc/73/80/55/1187738055.db2.gz MWXUIVAGONUCIP-QGZVFWFLSA-N 0 3 380.533 0.500 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1O)N1CCCC1 ZINC001024998732 1187740135 /nfs/dbraw/zinc/74/01/35/1187740135.db2.gz CCLRFKZMEXPRPD-VQHPVUNQSA-N 0 3 379.501 0.364 20 0 GCADHN O=C(CN1CCCN(C[C@@H]2CCCO2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000613420749 1187743296 /nfs/dbraw/zinc/74/32/96/1187743296.db2.gz IKDFLKYZAUGYLR-SFHVURJKSA-N 0 3 378.517 0.254 20 0 GCADHN C[C@@H](NC(=O)CN1CCCN(C[C@@H]2CCCO2)CC1)C(=O)N1CCCCC1 ZINC000613420998 1187743471 /nfs/dbraw/zinc/74/34/71/1187743471.db2.gz MNWWWCHTFNSARZ-MSOLQXFVSA-N 0 3 380.533 0.690 20 0 GCADHN CC(C)(CNC(=O)CN1CCCN(C[C@@H]2CCCO2)CC1)N1CCOCC1 ZINC000613425370 1187747802 /nfs/dbraw/zinc/74/78/02/1187747802.db2.gz WMCWSJJGAQNJJZ-SFHVURJKSA-N 0 3 382.549 0.400 20 0 GCADHN COC(=O)c1cn(C2CCN(C(=O)N[C@H]3CN(C4CC4)C[C@H]3C)CC2)nn1 ZINC000376294432 1187752019 /nfs/dbraw/zinc/75/20/19/1187752019.db2.gz BCTDIIIZOXPUHL-DOMZBBRYSA-N 0 3 376.461 0.894 20 0 GCADHN CN1CCN(CCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1(C)C ZINC000332701748 1187756434 /nfs/dbraw/zinc/75/64/34/1187756434.db2.gz CKYKUHASHGAAPH-ROUUACIJSA-N 0 3 392.544 0.570 20 0 GCADHN CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)c1nnc(N(C)C)n1C(C)C ZINC000414215602 1187766267 /nfs/dbraw/zinc/76/62/67/1187766267.db2.gz XWHGOWFPFMZUJZ-LLVKDONJSA-N 0 3 388.494 0.569 20 0 GCADHN CCN(CCO)CCNC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O ZINC000472559389 1187776427 /nfs/dbraw/zinc/77/64/27/1187776427.db2.gz ZHWLWGZGEMKMRQ-OAHLLOKOSA-N 0 3 379.379 0.049 20 0 GCADHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1nccn1-c1ccc(OC)cc1 ZINC000414227783 1187777792 /nfs/dbraw/zinc/77/77/92/1187777792.db2.gz XGSVDTIFXVAUMO-LLVKDONJSA-N 0 3 380.426 0.889 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1O ZINC001025048373 1187790539 /nfs/dbraw/zinc/79/05/39/1187790539.db2.gz RLRZTDQOEOJZBY-MKXGPGLRSA-N 0 3 389.496 0.865 20 0 GCADHN COCCOC[C@H](C)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000892594412 1187805759 /nfs/dbraw/zinc/80/57/59/1187805759.db2.gz KSWXSPRFOJGAPC-INIZCTEOSA-N 0 3 386.518 0.175 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC(OC[C@@H]3CCCO3)CC2)n1 ZINC000376396696 1187811574 /nfs/dbraw/zinc/81/15/74/1187811574.db2.gz PRKVCJFAPXXDGY-HNNXBMFYSA-N 0 3 380.493 0.104 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000332917677 1187817252 /nfs/dbraw/zinc/81/72/52/1187817252.db2.gz YUENIKICJDXXJD-WMLDXEAASA-N 0 3 393.509 0.920 20 0 GCADHN C[C@H](O)CN1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000249202494 1187821838 /nfs/dbraw/zinc/82/18/38/1187821838.db2.gz AIRIUIOFOOQMIK-ROUUACIJSA-N 0 3 375.517 0.507 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)n1 ZINC000658982827 1187830658 /nfs/dbraw/zinc/83/06/58/1187830658.db2.gz WSMSFUCFYGRXJP-UHFFFAOYSA-N 0 3 392.441 0.403 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCO[C@H](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000658987318 1187831190 /nfs/dbraw/zinc/83/11/90/1187831190.db2.gz VVQKXUFWQZJUHK-MDZRGWNJSA-N 0 3 393.528 0.972 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)Nc2cc(F)cc(N3CCOCC3)c2)n1 ZINC000658989516 1187832484 /nfs/dbraw/zinc/83/24/84/1187832484.db2.gz BTNZGACYJJTXOL-UHFFFAOYSA-N 0 3 376.392 0.938 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000176089803 1187835449 /nfs/dbraw/zinc/83/54/49/1187835449.db2.gz UQUVWHHHBHLMNB-OAHLLOKOSA-N 0 3 397.545 0.811 20 0 GCADHN NC(=O)c1ccc(OCC(F)F)c(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659014828 1187842589 /nfs/dbraw/zinc/84/25/89/1187842589.db2.gz WIXFGVIYUIAYEP-UHFFFAOYSA-N 0 3 396.354 0.705 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000103122417 1187844402 /nfs/dbraw/zinc/84/44/02/1187844402.db2.gz QBJPTZXSJJNFAX-INIZCTEOSA-N 0 3 388.468 0.395 20 0 GCADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Nc3ccc4c(c3)CNCCO4)C[C@H]21 ZINC000659022389 1187844488 /nfs/dbraw/zinc/84/44/88/1187844488.db2.gz PZKMPTMYGTXICD-IMJJTQAJSA-N 0 3 381.454 0.444 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccsc3)CC2)CC1 ZINC000659027307 1187846218 /nfs/dbraw/zinc/84/62/18/1187846218.db2.gz MLSUBBFQUYDJEL-UHFFFAOYSA-N 0 3 392.525 0.975 20 0 GCADHN CCN(CCNC(=O)[C@H]1CCCCN1CC)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001745322612 1187853385 /nfs/dbraw/zinc/85/33/85/1187853385.db2.gz MHLUBEIQIAQZIV-WNRNVDISSA-N 0 3 381.517 0.877 20 0 GCADHN CCN(CCNC(=O)[C@@H]1CCCCN1CC)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001745322613 1187853506 /nfs/dbraw/zinc/85/35/06/1187853506.db2.gz MHLUBEIQIAQZIV-XLAORIBOSA-N 0 3 381.517 0.877 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@H](c2cnn(C)c2)c2ccccc2)n1 ZINC000376471927 1187862583 /nfs/dbraw/zinc/86/25/83/1187862583.db2.gz BQGSEYWVNSZNBM-INIZCTEOSA-N 0 3 382.472 0.297 20 0 GCADHN Cc1ccn2c(c1)ncc(C(=O)NC1C[C@H]3CC[C@@H](C1)N3CC(=O)N(C)C)c2=O ZINC000376472132 1187863167 /nfs/dbraw/zinc/86/31/67/1187863167.db2.gz GRTSFALIEVLAJF-MQVJKMGUSA-N 0 3 397.479 0.816 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001267591351 1187874577 /nfs/dbraw/zinc/87/45/77/1187874577.db2.gz NOTUPZAOGFWKKU-VNQPRFMTSA-N 0 3 384.440 0.637 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2=O)n1 ZINC000376482640 1187876909 /nfs/dbraw/zinc/87/69/09/1187876909.db2.gz CBPKHQXDTPANBT-KFWWJZLASA-N 0 3 376.461 0.078 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)[C@@H]2C1 ZINC000892649527 1187879165 /nfs/dbraw/zinc/87/91/65/1187879165.db2.gz QDHJQZOCPOEVDE-MTSZKFMLSA-N 0 3 394.516 0.816 20 0 GCADHN C[C@H](NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000892653048 1187885607 /nfs/dbraw/zinc/88/56/07/1187885607.db2.gz FZOVRIOCHPWZGJ-KBPBESRZSA-N 0 3 389.518 0.479 20 0 GCADHN CCOc1ccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1OCC ZINC000659110869 1187886954 /nfs/dbraw/zinc/88/69/54/1187886954.db2.gz ALHZJLZVXFWVAY-UHFFFAOYSA-N 0 3 389.412 0.693 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1OCC(F)F ZINC000659111156 1187887672 /nfs/dbraw/zinc/88/76/72/1187887672.db2.gz ZZSWNOUHPOJBHI-UHFFFAOYSA-N 0 3 395.366 0.848 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 ZINC000659111904 1187888575 /nfs/dbraw/zinc/88/85/75/1187888575.db2.gz CVEYNYZFCAUDOY-QRVBRYPASA-N 0 3 398.507 0.989 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2C[C@H]3CCCN3c3ccccc32)n1 ZINC000659113900 1187890196 /nfs/dbraw/zinc/89/01/96/1187890196.db2.gz YYQGBXDFAQAYGS-CYBMUJFWSA-N 0 3 382.424 0.273 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccccc2N2CCCCC2)n1 ZINC000659113499 1187890417 /nfs/dbraw/zinc/89/04/17/1187890417.db2.gz WCQJMOSVFZBHAH-UHFFFAOYSA-N 0 3 384.440 0.886 20 0 GCADHN CNC(=O)c1cc2cc(NC(=O)C(=O)NCCN(C)CCCOC)ccc2[nH]1 ZINC000472608120 1187892452 /nfs/dbraw/zinc/89/24/52/1187892452.db2.gz JKIUOGDQUYFEFC-UHFFFAOYSA-N 0 3 389.456 0.551 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000584514877 1187900988 /nfs/dbraw/zinc/90/09/88/1187900988.db2.gz YIYREELXQQLWCK-RDJZCZTQSA-N 0 3 392.504 0.387 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000659159712 1187904321 /nfs/dbraw/zinc/90/43/21/1187904321.db2.gz YKIWWFADXHOCBW-QGZVFWFLSA-N 0 3 380.533 0.500 20 0 GCADHN CCOC[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCO1 ZINC000636462663 1187914963 /nfs/dbraw/zinc/91/49/63/1187914963.db2.gz LVGABRUXLFSTAP-MSOLQXFVSA-N 0 3 377.485 0.539 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(C)CC2)cn1 ZINC000545329084 1187916917 /nfs/dbraw/zinc/91/69/17/1187916917.db2.gz DGAMMPLTTUUCOG-UHFFFAOYSA-N 0 3 383.518 0.089 20 0 GCADHN CCN(Cc1ccoc1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000659236389 1187918867 /nfs/dbraw/zinc/91/88/67/1187918867.db2.gz YLOIGOFIQQSZQD-MRXNPFEDSA-N 0 3 376.457 0.393 20 0 GCADHN CN(CCN1CCOCC1)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000659267918 1187923406 /nfs/dbraw/zinc/92/34/06/1187923406.db2.gz NKWISZPENOTBKH-LJQANCHMSA-N 0 3 388.512 0.510 20 0 GCADHN Cn1cc([C@@H]2[C@@H](CNC(=O)CNC[C@@H]3CCCO3)CC(=O)N2C(C)(C)C)cn1 ZINC000659343464 1187945395 /nfs/dbraw/zinc/94/53/95/1187945395.db2.gz PMKNKRZAZWEIBP-ALKREAHSSA-N 0 3 391.516 0.993 20 0 GCADHN CN(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)Cc1ccccc1 ZINC000636471809 1187948699 /nfs/dbraw/zinc/94/86/99/1187948699.db2.gz OFOHGDWGDMFPPV-QGZVFWFLSA-N 0 3 394.541 0.979 20 0 GCADHN CCOCC(=O)NNC(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000066699371 1187949785 /nfs/dbraw/zinc/94/97/85/1187949785.db2.gz UQOPKMNEBGYTPC-UHFFFAOYSA-N 0 3 377.489 0.691 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1)C1=CCN(C)CC1 ZINC000589190320 1187950428 /nfs/dbraw/zinc/95/04/28/1187950428.db2.gz YALKSDKYRLWFCA-HIFRSBDPSA-N 0 3 381.473 0.322 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCNC(=O)c2ccccc2Cl)n1 ZINC000659431695 1187957591 /nfs/dbraw/zinc/95/75/91/1187957591.db2.gz QXAGCISLVDJOIR-UHFFFAOYSA-N 0 3 378.820 0.524 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000647651473 1187957827 /nfs/dbraw/zinc/95/78/27/1187957827.db2.gz NOBNBOQTRDJBSX-NUJGCVRESA-N 0 3 397.541 0.965 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2cc(F)ccc2N2CCOCC2)n1 ZINC000659457865 1187961864 /nfs/dbraw/zinc/96/18/64/1187961864.db2.gz OVXXZXMYXWEKAT-UHFFFAOYSA-N 0 3 390.419 0.616 20 0 GCADHN COCCOc1cc(C)ccc1CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659468289 1187963153 /nfs/dbraw/zinc/96/31/53/1187963153.db2.gz XTVAIHSVJDFXNO-UHFFFAOYSA-N 0 3 375.429 0.974 20 0 GCADHN Cc1ccc(CN2CC[C@H](NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2=O)cc1 ZINC000659484956 1187964818 /nfs/dbraw/zinc/96/48/18/1187964818.db2.gz CDNYSFYITHDHNZ-HNNXBMFYSA-N 0 3 384.440 0.550 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)C(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)CCO1 ZINC000659513322 1187967360 /nfs/dbraw/zinc/96/73/60/1187967360.db2.gz RNIHKNFYRHYWAT-JJDSTIRJSA-N 0 3 393.528 0.972 20 0 GCADHN CC(C)N1CCO[C@@H](CN2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)C1 ZINC000178884845 1187969256 /nfs/dbraw/zinc/96/92/56/1187969256.db2.gz GTMODCBYCGFHPB-SFTDATJTSA-N 0 3 386.540 0.954 20 0 GCADHN Cc1c(C(=O)N2CCn3cnnc3C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000376604356 1187969861 /nfs/dbraw/zinc/96/98/61/1187969861.db2.gz OPTZZEHVKNYXEE-UHFFFAOYSA-N 0 3 378.440 0.811 20 0 GCADHN Cc1nnsc1CNCC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104673482 1187975167 /nfs/dbraw/zinc/97/51/67/1187975167.db2.gz YRNASMZXTLQNSS-RUZUBIRVSA-N 0 3 381.502 0.454 20 0 GCADHN CC(C)(C)N1C[C@H](CNC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1=O ZINC000659608324 1187976129 /nfs/dbraw/zinc/97/61/29/1187976129.db2.gz MVPQFBONTDBPNB-DZGCQCFKSA-N 0 3 377.493 0.730 20 0 GCADHN CC(=O)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC12CCCCC2 ZINC000659631550 1187978405 /nfs/dbraw/zinc/97/84/05/1187978405.db2.gz XKUGWZIALBWHSI-UHFFFAOYSA-N 0 3 376.461 0.718 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(CCOc3ccccc3)CC2)n1 ZINC000659633777 1187979766 /nfs/dbraw/zinc/97/97/66/1187979766.db2.gz YFIOTJKSJYBBCI-UHFFFAOYSA-N 0 3 386.456 0.547 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNCC(=O)N(C)c1ccccc1 ZINC001104686701 1187984097 /nfs/dbraw/zinc/98/40/97/1187984097.db2.gz LUPKWKRKYSDFRP-AHCXZYCDSA-N 0 3 386.496 0.845 20 0 GCADHN Cc1cc(NC(=O)CNCC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)on1 ZINC001104686200 1187984204 /nfs/dbraw/zinc/98/42/04/1187984204.db2.gz ZVSINEKIUFFHAW-ZRJCITRHSA-N 0 3 377.445 0.117 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNCC(=O)N(C)c1nccs1 ZINC001104689724 1187991532 /nfs/dbraw/zinc/99/15/32/1187991532.db2.gz BEUKLEDKPWICAB-SYQHCUMBSA-N 0 3 393.513 0.302 20 0 GCADHN COc1nccc(CNCC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2C)n1 ZINC001104691213 1187992140 /nfs/dbraw/zinc/99/21/40/1187992140.db2.gz UIDXTGUPGDEDNN-SRABZTEZSA-N 0 3 389.500 0.784 20 0 GCADHN Cc1cccc2c(CCNC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)c[nH]c21 ZINC000659676372 1187994288 /nfs/dbraw/zinc/99/42/88/1187994288.db2.gz XGDAQJTYJCKERQ-UHFFFAOYSA-N 0 3 382.424 0.406 20 0 GCADHN COc1ccccc1C1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCC1 ZINC000659684122 1187995970 /nfs/dbraw/zinc/99/59/70/1187995970.db2.gz BIUMIKCSUAXVIF-UHFFFAOYSA-N 0 3 399.451 0.504 20 0 GCADHN CC(C)COC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccco1 ZINC000659688524 1187997618 /nfs/dbraw/zinc/99/76/18/1187997618.db2.gz ZUHLLRKRCXJXFA-CYBMUJFWSA-N 0 3 391.428 0.380 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCCCOc2ccc(F)cc2)n1 ZINC000659682700 1187998819 /nfs/dbraw/zinc/99/88/19/1187998819.db2.gz GGCYIEWFDADBMI-UHFFFAOYSA-N 0 3 391.403 0.372 20 0 GCADHN COc1ccc([C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C(C)C)cc1 ZINC000659682147 1187999007 /nfs/dbraw/zinc/99/90/07/1187999007.db2.gz UGWQXRQASDIVJJ-QGZVFWFLSA-N 0 3 387.440 0.779 20 0 GCADHN CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659697831 1187999452 /nfs/dbraw/zinc/99/94/52/1187999452.db2.gz FRUCQCGBDVAMJX-CQSZACIVSA-N 0 3 387.440 0.923 20 0 GCADHN CCCCO[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659692565 1188000151 /nfs/dbraw/zinc/00/01/51/1188000151.db2.gz SMKYGMVINSSFSU-STQMWFEESA-N 0 3 379.461 0.357 20 0 GCADHN CC(C)Oc1ccc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659691637 1188000179 /nfs/dbraw/zinc/00/01/79/1188000179.db2.gz ITFKUCDMJYFWQV-UHFFFAOYSA-N 0 3 387.440 0.403 20 0 GCADHN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659707311 1188002180 /nfs/dbraw/zinc/00/21/80/1188002180.db2.gz UPDKZMYYSAQGIC-CYBMUJFWSA-N 0 3 399.451 0.502 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)NCC(=O)N2CCCC2)C1 ZINC001104702906 1188002285 /nfs/dbraw/zinc/00/22/85/1188002285.db2.gz IWPTWFALYKMPEA-BRSBDYLESA-N 0 3 392.544 0.845 20 0 GCADHN COc1cc(Cl)ccc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659707713 1188003052 /nfs/dbraw/zinc/00/30/52/1188003052.db2.gz KAOYRIKEANRNLZ-UHFFFAOYSA-N 0 3 379.804 0.236 20 0 GCADHN CCc1ccc(C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659700639 1188004064 /nfs/dbraw/zinc/00/40/64/1188004064.db2.gz PSYKLJAEQCNEET-UHFFFAOYSA-N 0 3 385.468 0.914 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1cccc(OC)c1 ZINC000659717182 1188006447 /nfs/dbraw/zinc/00/64/47/1188006447.db2.gz FRGSSNLHIZENSQ-KCXAZCMYSA-N 0 3 379.457 0.728 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000659719268 1188007373 /nfs/dbraw/zinc/00/73/73/1188007373.db2.gz GIJFEUUXTRLDRT-WOJBJXKFSA-N 0 3 396.491 0.889 20 0 GCADHN Cn1ccc(NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000120169280 1188008994 /nfs/dbraw/zinc/00/89/94/1188008994.db2.gz YXQRTWZMHHXSBU-UHFFFAOYSA-N 0 3 384.484 0.683 20 0 GCADHN CCN1CCN([C@@H]2CCN(C(=O)NC[C@@H](C(C)C)N3CCOCC3)C2)CC1 ZINC000106525011 1188012496 /nfs/dbraw/zinc/01/24/96/1188012496.db2.gz MBQGCTSDFVJMTD-MOPGFXCFSA-N 0 3 381.565 0.765 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)c2)CC1 ZINC000613603058 1188021786 /nfs/dbraw/zinc/02/17/86/1188021786.db2.gz RCSLYUMPGPUTET-HNNXBMFYSA-N 0 3 395.529 0.683 20 0 GCADHN O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)NCCN1CCCCC1 ZINC000909322405 1188024184 /nfs/dbraw/zinc/02/41/84/1188024184.db2.gz IDCOMQRUCHGSSK-OAHLLOKOSA-N 0 3 390.459 0.897 20 0 GCADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415312196 1188028891 /nfs/dbraw/zinc/02/88/91/1188028891.db2.gz CBLGIWAEMMGUTJ-CYBMUJFWSA-N 0 3 382.486 0.524 20 0 GCADHN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377468789 1188030353 /nfs/dbraw/zinc/03/03/53/1188030353.db2.gz CXDWFZXZLQQPKT-ZIAGYGMSSA-N 0 3 377.441 0.834 20 0 GCADHN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377468788 1188030714 /nfs/dbraw/zinc/03/07/14/1188030714.db2.gz CXDWFZXZLQQPKT-UONOGXRCSA-N 0 3 377.441 0.834 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2=O ZINC000377473529 1188031126 /nfs/dbraw/zinc/03/11/26/1188031126.db2.gz RJQPLHNFXGCDOH-FZTQNYJHSA-N 0 3 392.500 0.857 20 0 GCADHN CCCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000152946552 1188031229 /nfs/dbraw/zinc/03/12/29/1188031229.db2.gz FCJLUZUEZPEYAE-SJORKVTESA-N 0 3 378.517 0.790 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1S(=O)(=O)NC1CC1 ZINC000415319480 1188032893 /nfs/dbraw/zinc/03/28/93/1188032893.db2.gz OKIZJXWGRSIXOY-UHFFFAOYSA-N 0 3 380.470 0.196 20 0 GCADHN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)N1CCCNCC1 ZINC000415326651 1188034692 /nfs/dbraw/zinc/03/46/92/1188034692.db2.gz WOGGNRVSDDELED-UHFFFAOYSA-N 0 3 396.513 0.784 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000377480755 1188036876 /nfs/dbraw/zinc/03/68/76/1188036876.db2.gz FGIXXPDSWCYRFL-CVEARBPZSA-N 0 3 379.482 0.720 20 0 GCADHN Cc1c(NC(=O)C(=O)N2CCCNCC2)cccc1S(=O)(=O)NC1CC1 ZINC000415330420 1188043376 /nfs/dbraw/zinc/04/33/76/1188043376.db2.gz YZYRBDAXCCZLKI-UHFFFAOYSA-N 0 3 380.470 0.196 20 0 GCADHN CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)NCCN2CCCCC2)c1 ZINC000909322769 1188048224 /nfs/dbraw/zinc/04/82/24/1188048224.db2.gz KMCBCWZLHNHRSU-UHFFFAOYSA-N 0 3 399.488 0.951 20 0 GCADHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909322931 1188052922 /nfs/dbraw/zinc/05/29/22/1188052922.db2.gz FVOGBPPUSZJQNH-IRXDYDNUSA-N 0 3 380.533 0.989 20 0 GCADHN CC(C)[C@@H](C(=O)NCC(=O)NCCN1CCCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000909323067 1188054831 /nfs/dbraw/zinc/05/48/31/1188054831.db2.gz HPKNRLWYPBNKGG-SCTDSRPQSA-N 0 3 382.549 0.839 20 0 GCADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N1CCNC[C@H]1C ZINC000415345018 1188055032 /nfs/dbraw/zinc/05/50/32/1188055032.db2.gz OXANOCUUUNVFJG-OAHLLOKOSA-N 0 3 389.500 0.596 20 0 GCADHN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377513566 1188060605 /nfs/dbraw/zinc/06/06/05/1188060605.db2.gz UPOBXQGTTFKEFH-CABCVRRESA-N 0 3 386.452 0.731 20 0 GCADHN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000377552960 1188072066 /nfs/dbraw/zinc/07/20/66/1188072066.db2.gz LGCBSYNWAFZOPO-SUMWQHHRSA-N 0 3 387.484 0.527 20 0 GCADHN CCN1CCN(c2nc(C(N)=O)cc(N3CCN(CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000892971335 1188080214 /nfs/dbraw/zinc/08/02/14/1188080214.db2.gz QJKMSIKBOBRXMV-LSDHHAIUSA-N 0 3 375.521 0.636 20 0 GCADHN CCN1CCN(c2cc(C(N)=O)nc(N3CCN(CC)[C@H](C)C3)n2)C[C@H]1C ZINC000892971334 1188080675 /nfs/dbraw/zinc/08/06/75/1188080675.db2.gz QJKMSIKBOBRXMV-HUUCEWRRSA-N 0 3 375.521 0.636 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N1CC[C@@H](CC(N)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000377598945 1188085195 /nfs/dbraw/zinc/08/51/95/1188085195.db2.gz CKFFHRGIUOCLAL-AVGNSLFASA-N 0 3 382.486 0.097 20 0 GCADHN CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)N(C)CCN(C)C)cc1 ZINC000565188609 1188090610 /nfs/dbraw/zinc/09/06/10/1188090610.db2.gz JPHQESQANLYYJU-FUHWJXTLSA-N 0 3 397.541 0.954 20 0 GCADHN CN1CCC(=O)Nc2cc(C(=O)NCC(=O)NCCN3CCCCC3)ccc21 ZINC000909324748 1188092119 /nfs/dbraw/zinc/09/21/19/1188092119.db2.gz FSPCXALBOWLATA-UHFFFAOYSA-N 0 3 387.484 0.797 20 0 GCADHN CNS(=O)(=O)c1ccc(CN2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)cc1 ZINC000659855286 1188096920 /nfs/dbraw/zinc/09/69/20/1188096920.db2.gz CBPOZIZEQKPZTQ-HOCLYGCPSA-N 0 3 383.514 0.958 20 0 GCADHN CNS(=O)(=O)c1ccc(CN2C[C@H](C(=O)NCCOC)CC[C@@H]2C)cc1 ZINC000659855285 1188097044 /nfs/dbraw/zinc/09/70/44/1188097044.db2.gz CBPOZIZEQKPZTQ-GOEBONIOSA-N 0 3 383.514 0.958 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000415518368 1188097147 /nfs/dbraw/zinc/09/71/47/1188097147.db2.gz IURQCZGPTMUMEH-VXGBXAGGSA-N 0 3 398.485 0.591 20 0 GCADHN CNS(=O)(=O)c1ccc(CN2C[C@H](C(=O)NCCOC)CC[C@H]2C)cc1 ZINC000659855283 1188097229 /nfs/dbraw/zinc/09/72/29/1188097229.db2.gz CBPOZIZEQKPZTQ-GDBMZVCRSA-N 0 3 383.514 0.958 20 0 GCADHN CC(C)[C@]1(CO)CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000377683950 1188104058 /nfs/dbraw/zinc/10/40/58/1188104058.db2.gz VMROQDFQAJRVSO-HNAYVOBHSA-N 0 3 397.541 0.722 20 0 GCADHN CC(C)[C@@]1(CO)CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000377683946 1188104403 /nfs/dbraw/zinc/10/44/03/1188104403.db2.gz VMROQDFQAJRVSO-BEFAXECRSA-N 0 3 397.541 0.722 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000460647347 1188114532 /nfs/dbraw/zinc/11/45/32/1188114532.db2.gz MVLOENBDDPVCIM-ROUUACIJSA-N 0 3 397.564 0.681 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000377720238 1188116790 /nfs/dbraw/zinc/11/67/90/1188116790.db2.gz CNJNZQCPNLFAGG-SJORKVTESA-N 0 3 386.452 0.731 20 0 GCADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377727199 1188117957 /nfs/dbraw/zinc/11/79/57/1188117957.db2.gz LSSFPNRKRJJNHP-CVEARBPZSA-N 0 3 388.468 0.663 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000377728373 1188118756 /nfs/dbraw/zinc/11/87/56/1188118756.db2.gz NMQLCXINFDNBAK-QWHCGFSZSA-N 0 3 390.465 0.649 20 0 GCADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000377769169 1188132777 /nfs/dbraw/zinc/13/27/77/1188132777.db2.gz AIDNDGXEZSOKGU-JKSUJKDBSA-N 0 3 395.481 0.147 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000377775795 1188134563 /nfs/dbraw/zinc/13/45/63/1188134563.db2.gz DPBDNINGSFUYBE-KBPBESRZSA-N 0 3 388.403 0.324 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000377775800 1188134706 /nfs/dbraw/zinc/13/47/06/1188134706.db2.gz DPBDNINGSFUYBE-KGLIPLIRSA-N 0 3 388.403 0.324 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000415679680 1188140545 /nfs/dbraw/zinc/14/05/45/1188140545.db2.gz QEADVENITFYWGM-FZMZJTMJSA-N 0 3 377.445 0.397 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000415693283 1188140724 /nfs/dbraw/zinc/14/07/24/1188140724.db2.gz HTKBNRTVMGAUSO-SMDDNHRTSA-N 0 3 377.445 0.478 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000415679681 1188140896 /nfs/dbraw/zinc/14/08/96/1188140896.db2.gz QEADVENITFYWGM-RISCZKNCSA-N 0 3 377.445 0.397 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000728714932 1188145038 /nfs/dbraw/zinc/14/50/38/1188145038.db2.gz DRKQGQSWOGKIME-UHFFFAOYSA-N 0 3 398.471 0.112 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415709277 1188146531 /nfs/dbraw/zinc/14/65/31/1188146531.db2.gz MQCVWZUSMAHPRZ-HNNXBMFYSA-N 0 3 385.424 0.539 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415713654 1188147702 /nfs/dbraw/zinc/14/77/02/1188147702.db2.gz SJFPQDMVNGVPRD-AWEZNQCLSA-N 0 3 384.440 0.493 20 0 GCADHN CCS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000377860402 1188158217 /nfs/dbraw/zinc/15/82/17/1188158217.db2.gz JZMTVPBKUVVOBD-IRXDYDNUSA-N 0 3 381.498 0.719 20 0 GCADHN CN(C)CCN1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)CC1=O ZINC000651137106 1188163676 /nfs/dbraw/zinc/16/36/76/1188163676.db2.gz SDDPYDQUIXBJOJ-IAGOWNOFSA-N 0 3 375.473 0.717 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896743 1188165524 /nfs/dbraw/zinc/16/55/24/1188165524.db2.gz AHMBOIRVGQQREP-RBUKOAKNSA-N 0 3 393.576 0.604 20 0 GCADHN Cc1cc(N2CCC[C@H](N3CCN(c4ccncc4CO)CC3)C2=O)n(C)n1 ZINC000893114981 1189368517 /nfs/dbraw/zinc/36/85/17/1189368517.db2.gz ZBFWLFHDFQKHGQ-SFHVURJKSA-N 0 3 384.484 0.933 20 0 GCADHN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000377917358 1189370572 /nfs/dbraw/zinc/37/05/72/1189370572.db2.gz SWIAOGXUYVOZFU-ZWKOTPCHSA-N 0 3 382.549 0.791 20 0 GCADHN C[C@H](CNC(=O)N1CCNC(=O)[C@@H]1c1cccs1)CN1CCN(C)CC1 ZINC000377917524 1189370624 /nfs/dbraw/zinc/37/06/24/1189370624.db2.gz QHVNNGLVGQJKTR-ZBFHGGJFSA-N 0 3 379.530 0.814 20 0 GCADHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000415848541 1189380480 /nfs/dbraw/zinc/38/04/80/1189380480.db2.gz VIYRALRXKOTCGD-QGZVFWFLSA-N 0 3 384.436 0.868 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000415853784 1189382128 /nfs/dbraw/zinc/38/21/28/1189382128.db2.gz VAJAWHCIPDTGEE-GFCCVEGCSA-N 0 3 397.357 0.934 20 0 GCADHN CC(C)n1cnnc1C1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000377953148 1189385727 /nfs/dbraw/zinc/38/57/27/1189385727.db2.gz LXICVWJJJRHRLB-MRXNPFEDSA-N 0 3 376.505 0.975 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000415857027 1189386137 /nfs/dbraw/zinc/38/61/37/1189386137.db2.gz BUAIVSASYNSLST-AWEZNQCLSA-N 0 3 397.357 0.934 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CNCCO2)nn1-c1cccc(Cl)c1 ZINC000415859331 1189387514 /nfs/dbraw/zinc/38/75/14/1189387514.db2.gz FWWZUAJXPCZOMH-AWEZNQCLSA-N 0 3 377.832 0.877 20 0 GCADHN CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415867496 1189388936 /nfs/dbraw/zinc/38/89/36/1189388936.db2.gz PLGKXEVSACZEDB-CYBMUJFWSA-N 0 3 385.848 0.798 20 0 GCADHN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415868152 1189389160 /nfs/dbraw/zinc/38/91/60/1189389160.db2.gz QAIIEHURMGDMQE-WCQYABFASA-N 0 3 385.848 0.797 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000415869974 1189389701 /nfs/dbraw/zinc/38/97/01/1189389701.db2.gz RWDMBPMZTPTCJX-GJZGRUSLSA-N 0 3 377.441 0.678 20 0 GCADHN Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415863637 1189390474 /nfs/dbraw/zinc/39/04/74/1189390474.db2.gz LSGJPPZEDYGDDX-HNNXBMFYSA-N 0 3 378.498 0.591 20 0 GCADHN Cn1c2nnc(CN3CCN(C[C@@H]4CCOC4)CC3)n2c2ccccc2c1=O ZINC000178828365 1189398916 /nfs/dbraw/zinc/39/89/16/1189398916.db2.gz QXLWRMGVTYGTCL-HNNXBMFYSA-N 0 3 382.468 0.735 20 0 GCADHN CCN(CC)C(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000377981774 1189400140 /nfs/dbraw/zinc/40/01/40/1189400140.db2.gz BAYNUKVBHLLVJP-KRWDZBQOSA-N 0 3 390.484 0.896 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000472925886 1189402097 /nfs/dbraw/zinc/40/20/97/1189402097.db2.gz MQHYPAYZGVMIHJ-MSOLQXFVSA-N 0 3 396.580 0.254 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000472927171 1189403120 /nfs/dbraw/zinc/40/31/20/1189403120.db2.gz OYIINPMBCGVAKX-HNNXBMFYSA-N 0 3 389.566 0.031 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000472927172 1189403278 /nfs/dbraw/zinc/40/32/78/1189403278.db2.gz OYIINPMBCGVAKX-OAHLLOKOSA-N 0 3 389.566 0.031 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000247079924 1189403815 /nfs/dbraw/zinc/40/38/15/1189403815.db2.gz NMTVLKVVZPYSDC-STQMWFEESA-N 0 3 390.406 0.162 20 0 GCADHN CCN1C(=O)[C@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)CCN2C1=O ZINC000378038105 1189409789 /nfs/dbraw/zinc/40/97/89/1189409789.db2.gz OFSDATQKIJWPNW-OAHLLOKOSA-N 0 3 378.473 0.516 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCC(C)(C)N3CCOCC3)C2)CC1 ZINC000378096296 1189414136 /nfs/dbraw/zinc/41/41/36/1189414136.db2.gz CQHUKZNTOOAMCM-GOSISDBHSA-N 0 3 381.565 0.907 20 0 GCADHN Cc1ccc([C@H](CN2CCOCC2)NC(=O)NCCN2CC[C@H](O)C2)cc1 ZINC000636498344 1189414893 /nfs/dbraw/zinc/41/48/93/1189414893.db2.gz NTYHYTRYQMIYGJ-OALUTQOASA-N 0 3 376.501 0.734 20 0 GCADHN CCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000112550993 1189423446 /nfs/dbraw/zinc/42/34/46/1189423446.db2.gz NKRURUWDFRLLFZ-MGPQQGTHSA-N 0 3 383.518 0.169 20 0 GCADHN CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000106582107 1189434854 /nfs/dbraw/zinc/43/48/54/1189434854.db2.gz LBXGMOUJOIEDNE-SFHVURJKSA-N 0 3 396.580 0.208 20 0 GCADHN COc1cc(OC)c(OC)cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000378184081 1189437723 /nfs/dbraw/zinc/43/77/23/1189437723.db2.gz LJPYXWMIXNZXNG-OLZOCXBDSA-N 0 3 393.440 0.630 20 0 GCADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N(C)CCN(C)C ZINC000416170474 1189447963 /nfs/dbraw/zinc/44/79/63/1189447963.db2.gz KNTVIJOPJASPLC-MROQNXINSA-N 0 3 375.391 0.992 20 0 GCADHN CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000378235442 1189449289 /nfs/dbraw/zinc/44/92/89/1189449289.db2.gz QZDVHYPSXLPYOI-CQSZACIVSA-N 0 3 399.517 0.375 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1OCC(N)=O ZINC000041598720 1189452079 /nfs/dbraw/zinc/45/20/79/1189452079.db2.gz XSEJICBMFOHCIX-GFCCVEGCSA-N 0 3 378.429 0.098 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)N1CCCC1 ZINC000041598440 1189452133 /nfs/dbraw/zinc/45/21/33/1189452133.db2.gz IPRLPRACMLUACO-AWEZNQCLSA-N 0 3 376.457 0.693 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)N1CCCC1 ZINC000041597666 1189452526 /nfs/dbraw/zinc/45/25/26/1189452526.db2.gz AJCDYCFGJQKCNZ-OAHLLOKOSA-N 0 3 388.468 0.698 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCCC1 ZINC000041599671 1189452909 /nfs/dbraw/zinc/45/29/09/1189452909.db2.gz KHGIEEWBNTXJEH-CYBMUJFWSA-N 0 3 383.452 0.882 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(C(=O)NC)c2C)CC1 ZINC000041640942 1189455224 /nfs/dbraw/zinc/45/52/24/1189455224.db2.gz FTHZJVFXIIQITA-AWEZNQCLSA-N 0 3 389.500 0.435 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000041641240 1189455574 /nfs/dbraw/zinc/45/55/74/1189455574.db2.gz BEZUFPBOEASRLW-ZDUSSCGKSA-N 0 3 389.456 0.098 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000041719759 1189457703 /nfs/dbraw/zinc/45/77/03/1189457703.db2.gz DAOJJWSPWPPSFB-UHFFFAOYSA-N 0 3 375.473 0.727 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000378305926 1189468477 /nfs/dbraw/zinc/46/84/77/1189468477.db2.gz KPDRPCNKXYCNRT-PBHICJAKSA-N 0 3 380.514 0.504 20 0 GCADHN CN1C[C@@H](NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)[C@@H](c2ccccc2)C1 ZINC000378304717 1189470895 /nfs/dbraw/zinc/47/08/95/1189470895.db2.gz ICADSIUWQNOMNQ-ZIAGYGMSSA-N 0 3 396.451 0.509 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000728744529 1189476460 /nfs/dbraw/zinc/47/64/60/1189476460.db2.gz GXKSTVAKTBBJOW-UHFFFAOYSA-N 0 3 380.489 0.622 20 0 GCADHN O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC000651360703 1189487048 /nfs/dbraw/zinc/48/70/48/1189487048.db2.gz PVXJJNLNBYVFNN-INIZCTEOSA-N 0 3 385.461 0.477 20 0 GCADHN NC(=O)c1ncn(CC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)n1 ZINC000651360839 1189487767 /nfs/dbraw/zinc/48/77/67/1189487767.db2.gz XHEVYQPRLOVKMG-UHFFFAOYSA-N 0 3 390.419 0.176 20 0 GCADHN CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)[C@@H](C)C1 ZINC000659976486 1189497905 /nfs/dbraw/zinc/49/79/05/1189497905.db2.gz DQLNBHBQHBMDJT-LPHOPBHVSA-N 0 3 386.496 0.799 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000416381301 1189503637 /nfs/dbraw/zinc/50/36/37/1189503637.db2.gz DLVBQOAVPYVVOK-UHFFFAOYSA-N 0 3 394.453 0.462 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCO[C@H](c3ccnn3C)C2)CC1 ZINC000893238530 1189507700 /nfs/dbraw/zinc/50/77/00/1189507700.db2.gz NMYIRQZJXSPBPK-AEFFLSMTSA-N 0 3 378.521 0.777 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)CC1 ZINC000893237301 1189508463 /nfs/dbraw/zinc/50/84/63/1189508463.db2.gz HNFUAFTWDBXQHA-FXAWDEMLSA-N 0 3 392.548 0.999 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@]2(c3cnn(C)c3)CCCO2)CC1 ZINC000893237303 1189508653 /nfs/dbraw/zinc/50/86/53/1189508653.db2.gz HNFUAFTWDBXQHA-XLIONFOSSA-N 0 3 392.548 0.999 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)NCC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000378448613 1189510877 /nfs/dbraw/zinc/51/08/77/1189510877.db2.gz CYMDHKZSWLMPAK-CALCHBBNSA-N 0 3 396.532 0.766 20 0 GCADHN Cc1cc2ncn(C[C@H](O)CN(CCO)CCN3CCOCC3)c2cc1C ZINC000086168817 1189553344 /nfs/dbraw/zinc/55/33/44/1189553344.db2.gz RXHJNGBOTBQMMF-GOSISDBHSA-N 0 3 376.501 0.641 20 0 GCADHN Cc1nn(C)c(N2CCOCC2)c1CN(C)C1CCN(S(C)(=O)=O)CC1 ZINC000408082110 1189553365 /nfs/dbraw/zinc/55/33/65/1189553365.db2.gz PDQHBQBWYRTDMJ-UHFFFAOYSA-N 0 3 385.534 0.421 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c(N(C)C)c1 ZINC000584576092 1189560278 /nfs/dbraw/zinc/56/02/78/1189560278.db2.gz CNPWGADEXNGIST-ZDUSSCGKSA-N 0 3 376.457 0.936 20 0 GCADHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000416663607 1189567462 /nfs/dbraw/zinc/56/74/62/1189567462.db2.gz QSSGVARILLBEKP-UHFFFAOYSA-N 0 3 380.470 0.711 20 0 GCADHN CNC(=O)c1cccc(CNCCN(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1 ZINC001481262175 1189569893 /nfs/dbraw/zinc/56/98/93/1189569893.db2.gz UWHCOHIZGNVTJF-OKZBNKHCSA-N 0 3 375.469 0.646 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000416683555 1189571739 /nfs/dbraw/zinc/57/17/39/1189571739.db2.gz KQDVWVAKEDBBIX-KGLIPLIRSA-N 0 3 375.464 0.568 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CC2)C[C@@H](C)O1 ZINC000363914308 1189573103 /nfs/dbraw/zinc/57/31/03/1189573103.db2.gz QXUDUCACKYUHFU-XYVMCAHJSA-N 0 3 396.532 0.940 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000363951708 1189586778 /nfs/dbraw/zinc/58/67/78/1189586778.db2.gz ZFBUUUCDLCPVJD-DZGCQCFKSA-N 0 3 398.529 0.389 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000363951918 1189586987 /nfs/dbraw/zinc/58/69/87/1189586987.db2.gz VAIXVNIXVMHMJP-CRAIPNDOSA-N 0 3 377.533 0.665 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000416858000 1189589776 /nfs/dbraw/zinc/58/97/76/1189589776.db2.gz FRXTUEYXUKLGMZ-HNNXBMFYSA-N 0 3 384.502 0.505 20 0 GCADHN CCN1CCN(C(=O)CC2CCN([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000108919328 1189595776 /nfs/dbraw/zinc/59/57/76/1189595776.db2.gz QGSJNRNQTVWYAE-HKUYNNGSSA-N 0 3 394.560 0.936 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000974224859 1189599576 /nfs/dbraw/zinc/59/95/76/1189599576.db2.gz ROEDCBGBIGTDQE-KHHDSSOXSA-N 0 3 379.501 0.676 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000363987266 1189602658 /nfs/dbraw/zinc/60/26/58/1189602658.db2.gz KMLVGMLFASOHSL-KBXCAEBGSA-N 0 3 381.498 0.494 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@]2(CCOC2)C1 ZINC000363987267 1189603124 /nfs/dbraw/zinc/60/31/24/1189603124.db2.gz KMLVGMLFASOHSL-KDOFPFPSSA-N 0 3 381.498 0.494 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000364002588 1189609832 /nfs/dbraw/zinc/60/98/32/1189609832.db2.gz NFKOZEGHHVXQLM-HNNXBMFYSA-N 0 3 394.476 0.522 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)CCN2C1=O ZINC000584666130 1189616723 /nfs/dbraw/zinc/61/67/23/1189616723.db2.gz LGPVICZRPKONMK-DLBZAZTESA-N 0 3 385.468 0.245 20 0 GCADHN CCOC(=O)CSc1nnc([N-]C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)s1 ZINC000563057386 1189627224 /nfs/dbraw/zinc/62/72/24/1189627224.db2.gz UWABXSPIKNFAKG-VIFPVBQESA-N 0 3 397.486 0.789 20 0 GCADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)[C@H]1CN2CCN1CCC2 ZINC000364046637 1189629222 /nfs/dbraw/zinc/62/92/22/1189629222.db2.gz FCIGMHZJMCVYOB-QGZVFWFLSA-N 0 3 378.498 0.233 20 0 GCADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCC(=O)N1CCc2ccccc21 ZINC000584720981 1189638851 /nfs/dbraw/zinc/63/88/51/1189638851.db2.gz OGMUQTBQQGLYJI-LJQANCHMSA-N 0 3 392.459 0.777 20 0 GCADHN CCCCOc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000584730960 1189642828 /nfs/dbraw/zinc/64/28/28/1189642828.db2.gz CKOYSKKKADUCPP-NVXWUHKLSA-N 0 3 388.468 0.252 20 0 GCADHN O=C(NCc1ccccc1OCCN1CCOCC1)NC[C@@H]1CNCCO1 ZINC000417320761 1189646755 /nfs/dbraw/zinc/64/67/55/1189646755.db2.gz RGJDBBXNJZGNJZ-KRWDZBQOSA-N 0 3 378.473 0.185 20 0 GCADHN O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CN2CCN1CCC2 ZINC000364085761 1189648283 /nfs/dbraw/zinc/64/82/83/1189648283.db2.gz JOTFYJBZDSWSIC-QGZVFWFLSA-N 0 3 378.498 0.233 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000511618990 1189649099 /nfs/dbraw/zinc/64/90/99/1189649099.db2.gz VDDKKKMTFVITDZ-OAHLLOKOSA-N 0 3 395.470 0.528 20 0 GCADHN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000274460638 1189680464 /nfs/dbraw/zinc/68/04/64/1189680464.db2.gz JODMZORWRJYLEJ-OAHLLOKOSA-N 0 3 398.529 0.624 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC(=O)Nc1ccccc1 ZINC000584846149 1189690272 /nfs/dbraw/zinc/69/02/72/1189690272.db2.gz HLPPDCQCQXQHLN-QGZVFWFLSA-N 0 3 390.484 0.701 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC000417749514 1189701891 /nfs/dbraw/zinc/70/18/91/1189701891.db2.gz VGMKGVZVXWTLEY-UONOGXRCSA-N 0 3 384.502 0.503 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)c1 ZINC000417740686 1189703352 /nfs/dbraw/zinc/70/33/52/1189703352.db2.gz ICSACXHRYAYWAU-UONOGXRCSA-N 0 3 384.502 0.503 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)CC2)n1 ZINC000660279020 1189704593 /nfs/dbraw/zinc/70/45/93/1189704593.db2.gz DRTDKAZVMUOQPE-KGLIPLIRSA-N 0 3 392.529 0.444 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000660334995 1189714823 /nfs/dbraw/zinc/71/48/23/1189714823.db2.gz ALDULUUKXKLDER-SFHVURJKSA-N 0 3 395.548 0.530 20 0 GCADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000500132916 1189721887 /nfs/dbraw/zinc/72/18/87/1189721887.db2.gz PFLJPZNGBTXVTE-ACJLOTCBSA-N 0 3 375.469 0.857 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000660342454 1189722601 /nfs/dbraw/zinc/72/26/01/1189722601.db2.gz BIVVHASHVTVKOF-AEFFLSMTSA-N 0 3 376.501 0.171 20 0 GCADHN Cc1c(C(=O)NC[C@]2(O)CCO[C@H]2C)nnn1-c1cccc2c1CCN(C)C2 ZINC000364261331 1189725078 /nfs/dbraw/zinc/72/50/78/1189725078.db2.gz LFDLTSQILJLDOQ-VBKZILBWSA-N 0 3 385.468 0.833 20 0 GCADHN C[NH2+]C[C@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418156091 1189729509 /nfs/dbraw/zinc/72/95/09/1189729509.db2.gz AILJPHYMZAQSHQ-GFCCVEGCSA-N 0 3 390.456 0.884 20 0 GCADHN COC(=O)[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@H]1c1ccc(O)cc1 ZINC000296823797 1189735340 /nfs/dbraw/zinc/73/53/40/1189735340.db2.gz VVLMYDDRRJWZLS-LSDHHAIUSA-N 0 3 375.425 0.911 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000660366885 1189744091 /nfs/dbraw/zinc/74/40/91/1189744091.db2.gz ZDXRYYUERDSFFB-QGZVFWFLSA-N 0 3 390.484 0.864 20 0 GCADHN COC(=O)CCn1nc(C)c(CN2CCN(C(=O)CN3CCCC3)CC2)c1C ZINC000093046824 1189751012 /nfs/dbraw/zinc/75/10/12/1189751012.db2.gz KCZSZSTUHIOZQG-UHFFFAOYSA-N 0 3 391.516 0.803 20 0 GCADHN CN(C[C@H]1COCCO1)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000660386361 1189773565 /nfs/dbraw/zinc/77/35/65/1189773565.db2.gz ZHKQRVABEFIKRK-IBGZPJMESA-N 0 3 376.501 0.991 20 0 GCADHN Cc1cccc2c(=O)n(CC(=O)NCC(=O)NCCN3CCCCC3)cnc12 ZINC000909326703 1189793823 /nfs/dbraw/zinc/79/38/23/1189793823.db2.gz GHHBNJWJLXFTNE-UHFFFAOYSA-N 0 3 385.468 0.423 20 0 GCADHN O=C(CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)NCCN1CCCCC1 ZINC000909327575 1189795659 /nfs/dbraw/zinc/79/56/59/1189795659.db2.gz VBUJEVICIZDZAL-QGZVFWFLSA-N 0 3 393.532 0.633 20 0 GCADHN O=C(CNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)NCCN1CCCCC1 ZINC000909328303 1189797952 /nfs/dbraw/zinc/79/79/52/1189797952.db2.gz IMCTXMCSUNCMQY-NEPJUHHUSA-N 0 3 378.395 0.162 20 0 GCADHN O=C(CCN1C(=O)c2ccccc2C1=O)NCC(=O)NCCN1CCCCC1 ZINC000909328809 1189798006 /nfs/dbraw/zinc/79/80/06/1189798006.db2.gz QUAVERRANVCQOV-UHFFFAOYSA-N 0 3 386.452 0.391 20 0 GCADHN C[C@@H](CO)C1CCN(C(=O)C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)CC1 ZINC000652078642 1189803445 /nfs/dbraw/zinc/80/34/45/1189803445.db2.gz MXXIYCWXQFAMLH-AWEZNQCLSA-N 0 3 377.489 0.377 20 0 GCADHN O=C(NC[C@@]1(N2CCOCC2)CCSC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660446784 1189820239 /nfs/dbraw/zinc/82/02/39/1189820239.db2.gz JUZOGJSFPCXKKJ-MJGOQNOKSA-N 0 3 398.573 0.747 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000511701636 1189835674 /nfs/dbraw/zinc/83/56/74/1189835674.db2.gz IUUXZHGSLYVTSP-AWEZNQCLSA-N 0 3 382.486 0.084 20 0 GCADHN CNC(=O)[C@H]1CCCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000111268213 1189846564 /nfs/dbraw/zinc/84/65/64/1189846564.db2.gz OBHFLHNPTDPLPY-KRWDZBQOSA-N 0 3 380.533 0.596 20 0 GCADHN CNC(=O)[C@@H](NC(=O)CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1 ZINC000660475297 1189847025 /nfs/dbraw/zinc/84/70/25/1189847025.db2.gz VXKVRATYHVYQBU-ICSRJNTNSA-N 0 3 388.512 0.777 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@@H](C(F)(F)F)O1 ZINC000660477723 1189847986 /nfs/dbraw/zinc/84/79/86/1189847986.db2.gz IFGMUAQJQFATPG-KBPBESRZSA-N 0 3 394.438 0.261 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@@H](C(F)(F)F)O1 ZINC000660477725 1189848246 /nfs/dbraw/zinc/84/82/46/1189848246.db2.gz IFGMUAQJQFATPG-KGLIPLIRSA-N 0 3 394.438 0.261 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)c4c[nH]cn4)[C@@H]3C2)O1 ZINC000974587464 1189848807 /nfs/dbraw/zinc/84/88/07/1189848807.db2.gz ORCZZSMPSJWYOR-KLHDSHLOSA-N 0 3 389.500 0.466 20 0 GCADHN O=C(NCCN1CC[C@@H](O)C1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000636567483 1189865301 /nfs/dbraw/zinc/86/53/01/1189865301.db2.gz HFYKTNVMSBUBQD-GOSISDBHSA-N 0 3 379.480 0.314 20 0 GCADHN C[C@H]1CN(C(=O)NCc2ccc(CC(N)=O)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000643168482 1189880861 /nfs/dbraw/zinc/88/08/61/1189880861.db2.gz VPLRMZUBRVJGEG-QFBILLFUSA-N 0 3 387.528 0.882 20 0 GCADHN CC(C)(C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]21)N1CCCC1 ZINC000974724336 1189881902 /nfs/dbraw/zinc/88/19/02/1189881902.db2.gz XJHFTGAEAWKKHO-YYIAUSFCSA-N 0 3 390.528 0.822 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000636610411 1189887581 /nfs/dbraw/zinc/88/75/81/1189887581.db2.gz RCJZFOQCJUQGIT-FRRDWIJNSA-N 0 3 390.410 0.734 20 0 GCADHN COc1ccc(CNC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001026969277 1189897730 /nfs/dbraw/zinc/89/77/30/1189897730.db2.gz QLNKOJMRHXFDHI-ILXVDBEPSA-N 0 3 376.457 0.475 20 0 GCADHN O=C(NCCCN1C(=O)CNC1=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000660621791 1189916461 /nfs/dbraw/zinc/91/64/61/1189916461.db2.gz NQFAPIJMGHRJSD-UHFFFAOYSA-N 0 3 388.472 0.535 20 0 GCADHN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893403758 1189917752 /nfs/dbraw/zinc/91/77/52/1189917752.db2.gz WBTUYXGGKCLHQE-ZACQAIPSSA-N 0 3 380.489 0.007 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000660852846 1189956426 /nfs/dbraw/zinc/95/64/26/1189956426.db2.gz JHPOGPTUWXSIQJ-OAGGEKHMSA-N 0 3 379.505 0.239 20 0 GCADHN CC(C)c1ccnc(N2CCN(C(=O)C(=O)N(C)CCN(C)C3CC3)CC2)n1 ZINC000660861425 1189958449 /nfs/dbraw/zinc/95/84/49/1189958449.db2.gz JKGBORFWXBGZBG-UHFFFAOYSA-N 0 3 388.516 0.801 20 0 GCADHN C[C@H](O)CN(C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[C@@H](C)CO ZINC000660884158 1189963066 /nfs/dbraw/zinc/96/30/66/1189963066.db2.gz KBFGISVATCGJQP-BQFCYCMXSA-N 0 3 377.485 0.310 20 0 GCADHN C[C@H]1CN(CCC2CCN(C(=O)C(=O)N3CCN(C)C(=O)C3)CC2)C[C@H](C)O1 ZINC000661065831 1189986538 /nfs/dbraw/zinc/98/65/38/1189986538.db2.gz HLUWLHUULZDJEV-HOTGVXAUSA-N 0 3 394.516 0.025 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C)c(C(=O)OC)c2)CC1 ZINC000473091195 1189989542 /nfs/dbraw/zinc/98/95/42/1189989542.db2.gz BCCVKTIGIBRYFU-OAHLLOKOSA-N 0 3 390.484 0.862 20 0 GCADHN CC1CCN(CC(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)CC1 ZINC000976028770 1189999913 /nfs/dbraw/zinc/99/99/13/1189999913.db2.gz LFRFMMGTXREBGP-YVSFHVDLSA-N 0 3 376.501 0.289 20 0 GCADHN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC(C(N)=O)(N3CCCCC3)CC1)CS2 ZINC000893429996 1190006744 /nfs/dbraw/zinc/00/67/44/1190006744.db2.gz XZCSIZNMKWKSSO-KSSFIOAISA-N 0 3 394.541 0.773 20 0 GCADHN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000662749801 1190017301 /nfs/dbraw/zinc/01/73/01/1190017301.db2.gz LFZVRUKKWNRUPL-ZDUSSCGKSA-N 0 3 378.477 0.725 20 0 GCADHN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662751670 1190017456 /nfs/dbraw/zinc/01/74/56/1190017456.db2.gz MTAZJFMNFWLWHD-OAHLLOKOSA-N 0 3 399.451 0.961 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 ZINC000662750859 1190018247 /nfs/dbraw/zinc/01/82/47/1190018247.db2.gz UXJNZBBDBMYISZ-CYBMUJFWSA-N 0 3 399.407 0.081 20 0 GCADHN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662753563 1190018647 /nfs/dbraw/zinc/01/86/47/1190018647.db2.gz TZBLLVFXIVSSIY-UHFFFAOYSA-N 0 3 393.469 0.648 20 0 GCADHN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662753546 1190019027 /nfs/dbraw/zinc/01/90/27/1190019027.db2.gz SYERDLRDPTXENI-LLVKDONJSA-N 0 3 393.469 0.648 20 0 GCADHN CS(=O)(=O)c1ccc(OCCCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000647707996 1190024658 /nfs/dbraw/zinc/02/46/58/1190024658.db2.gz HFLKUGSRIJIJFO-CVEARBPZSA-N 0 3 396.509 0.917 20 0 GCADHN COc1ccc(C(=O)NCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1OC ZINC000647708099 1190025758 /nfs/dbraw/zinc/02/57/58/1190025758.db2.gz ISHHYFHLJPUTHS-HUUCEWRRSA-N 0 3 377.441 0.101 20 0 GCADHN O=C([C@H]1CN2CCN1CCC2)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000408173589 1190045129 /nfs/dbraw/zinc/04/51/29/1190045129.db2.gz LQAQWVCFFADPIF-IAGOWNOFSA-N 0 3 384.546 0.229 20 0 GCADHN Cc1c(CN)c(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)nn1C ZINC000662837579 1190047279 /nfs/dbraw/zinc/04/72/79/1190047279.db2.gz DZRSDWCJPSMQRW-UHFFFAOYSA-N 0 3 387.412 0.773 20 0 GCADHN C[C@@H](CO)[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000661435301 1190048141 /nfs/dbraw/zinc/04/81/41/1190048141.db2.gz RCRRUCINJFERKV-IRXDYDNUSA-N 0 3 382.549 0.528 20 0 GCADHN O=C(C(=O)N1CCOCC2(CCOCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000661481629 1190058287 /nfs/dbraw/zinc/05/82/87/1190058287.db2.gz RRBPHPXCRHESSQ-KRWDZBQOSA-N 0 3 379.501 0.729 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000662879834 1190068496 /nfs/dbraw/zinc/06/84/96/1190068496.db2.gz PPCUMLUDUNVJSK-WBVHZDCISA-N 0 3 396.513 0.519 20 0 GCADHN Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595240728 1190068861 /nfs/dbraw/zinc/06/88/61/1190068861.db2.gz YVGVBJYTEBAWEX-NXEZZACHSA-N 0 3 385.346 0.118 20 0 GCADHN C[C@@H]1CN(CCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@H](C)CO1 ZINC000663915687 1193725603 /nfs/dbraw/zinc/72/56/03/1193725603.db2.gz GWXHHYCMVQBNIW-ZACQAIPSSA-N 0 3 383.537 0.338 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCc1ccc2c(c1)OCCO2 ZINC000512649763 1193728478 /nfs/dbraw/zinc/72/84/78/1193728478.db2.gz UFJQEULOXZGXET-UHFFFAOYSA-N 0 3 392.500 0.647 20 0 GCADHN CCCS(=O)(=O)Nc1cccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000575883501 1193732666 /nfs/dbraw/zinc/73/26/66/1193732666.db2.gz VTYUJJVVDFATKM-CABCVRRESA-N 0 3 395.485 0.614 20 0 GCADHN Cn1ccc(NC(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000247051038 1193732921 /nfs/dbraw/zinc/73/29/21/1193732921.db2.gz WOUMFIYNWGGNAF-KRWDZBQOSA-N 0 3 384.484 0.854 20 0 GCADHN Cc1c([C@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)cnn1-c1ccc(F)cc1 ZINC000419226847 1193734384 /nfs/dbraw/zinc/73/43/84/1193734384.db2.gz DYSGXXJPGJKSPA-LRDDRELGSA-N 0 3 389.431 0.602 20 0 GCADHN Cc1c([C@@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)cnn1-c1ccc(F)cc1 ZINC000419226848 1193734780 /nfs/dbraw/zinc/73/47/80/1193734780.db2.gz DYSGXXJPGJKSPA-MLGOLLRUSA-N 0 3 389.431 0.602 20 0 GCADHN CC(C)NS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000248005140 1193744905 /nfs/dbraw/zinc/74/49/05/1193744905.db2.gz BTKPYTZKYQQFJV-UHFFFAOYSA-N 0 3 382.530 0.741 20 0 GCADHN C[C@](CNCC(=O)NCC(F)(F)F)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001481937152 1193745476 /nfs/dbraw/zinc/74/54/76/1193745476.db2.gz ZDGKAEJCRBOYBK-SSTYXLIHSA-N 0 3 389.418 0.963 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000433097981 1193750708 /nfs/dbraw/zinc/75/07/08/1193750708.db2.gz QSEALGIMIGAQFR-GOSISDBHSA-N 0 3 396.557 0.969 20 0 GCADHN CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc(OC)cc1OC ZINC000509790007 1193756833 /nfs/dbraw/zinc/75/68/33/1193756833.db2.gz IOWPUWWRSAIRKG-NSHDSACASA-N 0 3 381.429 0.885 20 0 GCADHN CC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c2ccccc21 ZINC000419244173 1193758521 /nfs/dbraw/zinc/75/85/21/1193758521.db2.gz JWIWPNKBEOZPMG-RCBQFDQVSA-N 0 3 388.468 0.830 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000509794343 1193758858 /nfs/dbraw/zinc/75/88/58/1193758858.db2.gz UKSDCPPIPYRCDB-LBPRGKRZSA-N 0 3 395.485 0.162 20 0 GCADHN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000512796632 1193770001 /nfs/dbraw/zinc/77/00/01/1193770001.db2.gz FIHJOYNPUHWSAQ-CYBMUJFWSA-N 0 3 392.456 0.315 20 0 GCADHN COC(=O)C[C@]1(NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCOC1 ZINC000419254159 1193770530 /nfs/dbraw/zinc/77/05/30/1193770530.db2.gz XLKUHPLQTLOLTN-AUUYWEPGSA-N 0 3 378.425 0.623 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CN2CCC(CN3CCOCC3)CC2)CC1 ZINC000051959157 1193773380 /nfs/dbraw/zinc/77/33/80/1193773380.db2.gz NRXOGAIWOWJJIY-UHFFFAOYSA-N 0 3 396.532 0.768 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000419263254 1193773710 /nfs/dbraw/zinc/77/37/10/1193773710.db2.gz YDVVQWBSRFKLRK-MFKMUULPSA-N 0 3 393.831 0.672 20 0 GCADHN CC(C)C(=O)N[C@H]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512826479 1193780951 /nfs/dbraw/zinc/78/09/51/1193780951.db2.gz JIWCLTLPCSMZIY-SFHVURJKSA-N 0 3 397.564 0.323 20 0 GCADHN N[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1 ZINC000419281966 1193784148 /nfs/dbraw/zinc/78/41/48/1193784148.db2.gz LLOLTDUMZQYGAU-QZTJIDSGSA-N 0 3 380.448 0.720 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 ZINC000509819516 1193785140 /nfs/dbraw/zinc/78/51/40/1193785140.db2.gz MZSZFXZAJWNRBV-STQMWFEESA-N 0 3 387.444 0.483 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000419288048 1193787140 /nfs/dbraw/zinc/78/71/40/1193787140.db2.gz SFSZLXYJIPDVCD-NUEKZKHPSA-N 0 3 388.468 0.133 20 0 GCADHN COc1cc(CNC(=O)C(=O)NC[C@H]2CNCCO2)ccc1OCCC(C)C ZINC000419295306 1193791292 /nfs/dbraw/zinc/79/12/92/1193791292.db2.gz QKWDLOJSUIBHMV-MRXNPFEDSA-N 0 3 393.484 0.841 20 0 GCADHN Cc1c(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cnn1CC(C)C ZINC000473485948 1193794866 /nfs/dbraw/zinc/79/48/66/1193794866.db2.gz BZRAIYIECDPTNW-OAHLLOKOSA-N 0 3 378.521 0.928 20 0 GCADHN COCCNc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419301380 1193794883 /nfs/dbraw/zinc/79/48/83/1193794883.db2.gz NSORCXCMGWAFGT-BBRMVZONSA-N 0 3 378.473 0.590 20 0 GCADHN Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)nc1 ZINC000419302240 1193796158 /nfs/dbraw/zinc/79/61/58/1193796158.db2.gz POAFLFSLXOUAOK-GOEBONIOSA-N 0 3 389.500 0.704 20 0 GCADHN COc1cccc(C(=O)N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)c1OC ZINC000429913650 1193798605 /nfs/dbraw/zinc/79/86/05/1193798605.db2.gz IKJIDMHPPGRLCJ-OAHLLOKOSA-N 0 3 391.468 0.757 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000614330127 1193807620 /nfs/dbraw/zinc/80/76/20/1193807620.db2.gz KHHRJXUFLJHNGF-OAHLLOKOSA-N 0 3 397.487 0.807 20 0 GCADHN CC[C@H]1CN(C)CCCN1C(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000614330123 1193807876 /nfs/dbraw/zinc/80/78/76/1193807876.db2.gz KHHRJXUFLJHNGF-HNNXBMFYSA-N 0 3 397.487 0.807 20 0 GCADHN C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O)N1[C@H](C)CC[C@@H]1C ZINC000412196360 1193811536 /nfs/dbraw/zinc/81/15/36/1193811536.db2.gz DKKVOTLEQSSOBC-KYHPRHEASA-N 0 3 388.512 0.967 20 0 GCADHN CC[C@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000614334818 1193814993 /nfs/dbraw/zinc/81/49/93/1193814993.db2.gz KDHLAACPFYPUDC-AWEZNQCLSA-N 0 3 399.513 0.925 20 0 GCADHN CC[C@@](C)(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(N)=O ZINC000428749640 1193818427 /nfs/dbraw/zinc/81/84/27/1193818427.db2.gz CZMRFOWGKIVVNR-QGZVFWFLSA-N 0 3 385.486 0.330 20 0 GCADHN CC[C@](C)(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(N)=O ZINC000428749638 1193818609 /nfs/dbraw/zinc/81/86/09/1193818609.db2.gz CZMRFOWGKIVVNR-KRWDZBQOSA-N 0 3 385.486 0.330 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000473490625 1193827599 /nfs/dbraw/zinc/82/75/99/1193827599.db2.gz NIMGXPLWXUPCBR-MRXNPFEDSA-N 0 3 399.499 0.407 20 0 GCADHN CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 ZINC000614343014 1193829798 /nfs/dbraw/zinc/82/97/98/1193829798.db2.gz ZKLIAJCJCNUEHE-CVEARBPZSA-N 0 3 377.489 0.825 20 0 GCADHN CCO[C@@H]1C[C@H](N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)[C@H]1OC ZINC000894145935 1193830523 /nfs/dbraw/zinc/83/05/23/1193830523.db2.gz PTJWPJGDOTYKFW-MJSCVDMRSA-N 0 3 379.505 0.989 20 0 GCADHN COc1ccc2c(c1)[C@@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)CCO2 ZINC000419337854 1193832902 /nfs/dbraw/zinc/83/29/02/1193832902.db2.gz YLULPEADQFEQJV-UGFHNGPFSA-N 0 3 377.441 0.864 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000473490085 1193833259 /nfs/dbraw/zinc/83/32/59/1193833259.db2.gz VWESSLWSLVYXGL-LBPRGKRZSA-N 0 3 382.534 0.916 20 0 GCADHN O=C(NCc1ccc(NC(=O)c2ccncc2)cc1)C(=O)N1CCCNCC1 ZINC000419341392 1193833988 /nfs/dbraw/zinc/83/39/88/1193833988.db2.gz ACCOGYNBUMHYFD-UHFFFAOYSA-N 0 3 381.436 0.772 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCC(F)(F)CN)CC1 ZINC000419340175 1193834081 /nfs/dbraw/zinc/83/40/81/1193834081.db2.gz MYRWCQYJXMJGML-UHFFFAOYSA-N 0 3 397.470 0.151 20 0 GCADHN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419342258 1193835446 /nfs/dbraw/zinc/83/54/46/1193835446.db2.gz BWHMQRHVQYWPPQ-INIZCTEOSA-N 0 3 388.399 0.734 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1F ZINC000473491126 1193837229 /nfs/dbraw/zinc/83/72/29/1193837229.db2.gz QJHYVLKIYPIWOC-CYBMUJFWSA-N 0 3 394.447 0.693 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cn1 ZINC000473493775 1193838089 /nfs/dbraw/zinc/83/80/89/1193838089.db2.gz YCQUVCQDPMMAJZ-OAHLLOKOSA-N 0 3 393.488 0.188 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)CCN2C1=O ZINC000576293266 1193843073 /nfs/dbraw/zinc/84/30/73/1193843073.db2.gz OLBMUMLUNMCATP-QWHCGFSZSA-N 0 3 399.373 0.754 20 0 GCADHN COc1ccc(CN2CC[C@H](NC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)C2=O)cc1 ZINC000664141192 1193861225 /nfs/dbraw/zinc/86/12/25/1193861225.db2.gz OWQCYGDOZURPKE-ULQDDVLXSA-N 0 3 376.457 0.112 20 0 GCADHN CCCN(CCN1CCCCC1)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000513134256 1193891857 /nfs/dbraw/zinc/89/18/57/1193891857.db2.gz VWLNJIDEIVQFSZ-OAHLLOKOSA-N 0 3 388.534 0.197 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N[C@H](CN)CC(C)C)cc1 ZINC000419388096 1193898903 /nfs/dbraw/zinc/89/89/03/1193898903.db2.gz NUESHVWQDSKZOY-GJZGRUSLSA-N 0 3 383.514 0.763 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000729048686 1193903737 /nfs/dbraw/zinc/90/37/37/1193903737.db2.gz GWKCRCWRWNXHKM-UHFFFAOYSA-N 0 3 385.509 0.707 20 0 GCADHN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000729266299 1193910475 /nfs/dbraw/zinc/91/04/75/1193910475.db2.gz VWOYCRVEDVUHTD-SMDDNHRTSA-N 0 3 393.513 0.588 20 0 GCADHN Cc1ccn(C[C@@](C)(O)C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c(=O)c1 ZINC000279973643 1193917694 /nfs/dbraw/zinc/91/76/94/1193917694.db2.gz YYHAXZXRVWCKCG-FUHIMQAGSA-N 0 3 379.501 0.913 20 0 GCADHN N[C@H](C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261636530 1193922021 /nfs/dbraw/zinc/92/20/21/1193922021.db2.gz DDWSXXUSYJKJAN-KRWDZBQOSA-N 0 3 399.488 0.849 20 0 GCADHN CNC(=O)CC[C@@H]1CCCCN1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000513216006 1193922170 /nfs/dbraw/zinc/92/21/70/1193922170.db2.gz UPWGNTJBBLQHSN-INIZCTEOSA-N 0 3 390.484 0.945 20 0 GCADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@@H](N)C3CCOCC3)C2=O)c1 ZINC000261815831 1193927633 /nfs/dbraw/zinc/92/76/33/1193927633.db2.gz PBMQJKUAMGNPEV-IRXDYDNUSA-N 0 3 377.441 0.679 20 0 GCADHN N[C@H](C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)C1CCOCC1 ZINC000261845467 1193928952 /nfs/dbraw/zinc/92/89/52/1193928952.db2.gz QZYLBMUSHIZCKM-KRWDZBQOSA-N 0 3 381.498 0.664 20 0 GCADHN N[C@@H](C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)C1CCOCC1 ZINC000261912271 1193931276 /nfs/dbraw/zinc/93/12/76/1193931276.db2.gz XTEAYLJCNRRJCV-GOSISDBHSA-N 0 3 387.484 0.833 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)nn1 ZINC000433684577 1193934187 /nfs/dbraw/zinc/93/41/87/1193934187.db2.gz JWAHJWPCOSJBSN-HOCLYGCPSA-N 0 3 386.456 0.913 20 0 GCADHN COc1ccc(NC(=O)[C@H](N)C2CCOCC2)cc1S(=O)(=O)NC1CC1 ZINC000262040475 1193936883 /nfs/dbraw/zinc/93/68/83/1193936883.db2.gz QDEHHEQJPFIHPP-MRXNPFEDSA-N 0 3 383.470 0.828 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000262129697 1193940164 /nfs/dbraw/zinc/94/01/64/1193940164.db2.gz NYRGCFWJCQMARG-IBGZPJMESA-N 0 3 389.500 0.305 20 0 GCADHN CN1CCN(CCCCNC(=O)N(CCN2CCOCC2)CC2CC2)CC1 ZINC000664172887 1193941275 /nfs/dbraw/zinc/94/12/75/1193941275.db2.gz ARCZSPSFZFVIOL-UHFFFAOYSA-N 0 3 381.565 0.768 20 0 GCADHN COC(=O)CCNC(=O)c1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000262255939 1193943118 /nfs/dbraw/zinc/94/31/18/1193943118.db2.gz XFFYQMZNAMMSTD-INIZCTEOSA-N 0 3 378.429 0.018 20 0 GCADHN COC(C)(C)C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000513377927 1193944013 /nfs/dbraw/zinc/94/40/13/1193944013.db2.gz NGHXPHBWFXPJCR-OAHLLOKOSA-N 0 3 382.505 0.073 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCC[NH3+])c(C)o1 ZINC000262448129 1193948351 /nfs/dbraw/zinc/94/83/51/1193948351.db2.gz VYNANGCMWLZTAS-UHFFFAOYSA-N 0 3 380.426 0.437 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cnc2sccn2c1=O ZINC000513435084 1193951003 /nfs/dbraw/zinc/95/10/03/1193951003.db2.gz RPNPIWQVFSPVBX-ZDUSSCGKSA-N 0 3 377.470 0.429 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCNC(=O)c1cccs1 ZINC000513439831 1193951699 /nfs/dbraw/zinc/95/16/99/1193951699.db2.gz PDEBWEMCHWQPOA-CQSZACIVSA-N 0 3 380.514 0.927 20 0 GCADHN COc1cccc(C[C@H](NC(C)=O)C(=O)N[C@@H](CO)CN2CCCCC2)c1 ZINC000413820949 1193956819 /nfs/dbraw/zinc/95/68/19/1193956819.db2.gz RDSNTKBIAMBBBQ-MJGOQNOKSA-N 0 3 377.485 0.705 20 0 GCADHN COC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(CN(C)C)cc3)C2)nn1 ZINC000433876147 1193957174 /nfs/dbraw/zinc/95/71/74/1193957174.db2.gz YIDQPUWPDGMISV-UHFFFAOYSA-N 0 3 379.442 0.372 20 0 GCADHN C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000664205973 1193959219 /nfs/dbraw/zinc/95/92/19/1193959219.db2.gz HZZFRDXXMNSRLS-WNHJNPCNSA-N 0 3 376.501 0.592 20 0 GCADHN O=C(NCCN1CCCOCC1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000458843114 1193960863 /nfs/dbraw/zinc/96/08/63/1193960863.db2.gz MMWCEEUTOZHMLB-MOPGFXCFSA-N 0 3 376.501 0.643 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1(N2CCOCC2)CC1 ZINC000433932910 1193960899 /nfs/dbraw/zinc/96/08/99/1193960899.db2.gz TWPMZVZVKZGJFH-INIZCTEOSA-N 0 3 381.521 0.093 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000513599698 1193965791 /nfs/dbraw/zinc/96/57/91/1193965791.db2.gz ZSGRAKFZUBWZAJ-NXOAAHMSSA-N 0 3 381.517 0.875 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000513599699 1193965919 /nfs/dbraw/zinc/96/59/19/1193965919.db2.gz ZSGRAKFZUBWZAJ-YLFCFFPRSA-N 0 3 381.517 0.875 20 0 GCADHN CC[C@@H]1CN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CCN1CCOC ZINC000513628245 1193968302 /nfs/dbraw/zinc/96/83/02/1193968302.db2.gz HANHUTHQNMAUSR-MSOLQXFVSA-N 0 3 384.546 0.959 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000419396393 1193970501 /nfs/dbraw/zinc/97/05/01/1193970501.db2.gz SGEMOFXPJGUJQF-UKRRQHHQSA-N 0 3 383.395 0.886 20 0 GCADHN C[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)CN1CCO ZINC000894234951 1193970552 /nfs/dbraw/zinc/97/05/52/1193970552.db2.gz YPGSBOISWFJAEX-HOTGVXAUSA-N 0 3 383.514 0.599 20 0 GCADHN C[C@@H](CNCC(=O)N(C)Cc1cnn(C)c1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268695861 1193973134 /nfs/dbraw/zinc/97/31/34/1193973134.db2.gz AGJJOZYSXRAXHK-OWIUFQIYSA-N 0 3 377.489 0.288 20 0 GCADHN COc1ccccc1CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268696611 1193973739 /nfs/dbraw/zinc/97/37/39/1193973739.db2.gz RRIAHKGKYQCFEY-IOPYEDHLSA-N 0 3 387.480 0.829 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@](C)(O)CC1 ZINC000280178680 1193979170 /nfs/dbraw/zinc/97/91/70/1193979170.db2.gz SUGDGHBFQFZZOB-KSSFIOAISA-N 0 3 383.514 0.618 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)c(OC)c2)CC1 ZINC000280225940 1193981650 /nfs/dbraw/zinc/98/16/50/1193981650.db2.gz BPLSOQGDISQBTG-UHFFFAOYSA-N 0 3 393.440 0.647 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NCC3(S(C)(=O)=O)CC3)cc2)CC1 ZINC000280250417 1193982868 /nfs/dbraw/zinc/98/28/68/1193982868.db2.gz LTLSXSBMXAONGI-UHFFFAOYSA-N 0 3 394.541 0.810 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(F)cc(C(=O)OC)c1F ZINC000280278292 1193985302 /nfs/dbraw/zinc/98/53/02/1193985302.db2.gz GWAVNQLMCIAIBG-UHFFFAOYSA-N 0 3 387.383 0.774 20 0 GCADHN CC(C)c1ncc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000280372726 1193989852 /nfs/dbraw/zinc/98/98/52/1193989852.db2.gz OTXHJZLPANSCTJ-OAHLLOKOSA-N 0 3 390.488 0.597 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](CO)COC)c(C)c2)CC1 ZINC000280500463 1193999542 /nfs/dbraw/zinc/99/95/42/1193999542.db2.gz RHFSHRQFJXPIQM-HNNXBMFYSA-N 0 3 378.473 0.199 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)c(C)c1 ZINC000280671216 1194012676 /nfs/dbraw/zinc/01/26/76/1194012676.db2.gz FXAUBGAMHZZXIB-AWEZNQCLSA-N 0 3 390.484 0.906 20 0 GCADHN CCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000419424693 1194025408 /nfs/dbraw/zinc/02/54/08/1194025408.db2.gz KNTGZDVKHLKVHU-HIFRSBDPSA-N 0 3 379.457 0.766 20 0 GCADHN COc1cc([C@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)ccc1OC(C)C ZINC000419427060 1194027249 /nfs/dbraw/zinc/02/72/49/1194027249.db2.gz OBDRFMVPJFSHIZ-DZGCQCFKSA-N 0 3 379.457 0.764 20 0 GCADHN Cc1cc(C[C@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)n(-c2ccccc2)n1 ZINC000419411533 1194029520 /nfs/dbraw/zinc/02/95/20/1194029520.db2.gz PTLUATXFUSEJSX-KBXCAEBGSA-N 0 3 385.468 0.333 20 0 GCADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)n(-c2ccccc2)n1 ZINC000419411538 1194029908 /nfs/dbraw/zinc/02/99/08/1194029908.db2.gz PTLUATXFUSEJSX-KDOFPFPSSA-N 0 3 385.468 0.333 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)NCC(F)(F)CN)[C@@H](c2ccccc2)C1 ZINC000419414908 1194031343 /nfs/dbraw/zinc/03/13/43/1194031343.db2.gz HJKLFJSBWHCQPC-MRXNPFEDSA-N 0 3 397.470 0.192 20 0 GCADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419438803 1194034539 /nfs/dbraw/zinc/03/45/39/1194034539.db2.gz IJIRKWRDIJTHTC-XGUBFFRZSA-N 0 3 382.505 0.415 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)CC1CCCCC1 ZINC000419449539 1194036803 /nfs/dbraw/zinc/03/68/03/1194036803.db2.gz YAZMDMHUFLZFQG-ZFWWWQNUSA-N 0 3 382.505 0.418 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccccn2)C1=O ZINC000501049801 1194040509 /nfs/dbraw/zinc/04/05/09/1194040509.db2.gz YJQXNOXREYOVJY-MRXNPFEDSA-N 0 3 391.472 0.319 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1 ZINC000419491457 1194044327 /nfs/dbraw/zinc/04/43/27/1194044327.db2.gz JSWRLXMEDBBKPN-PMACEKPBSA-N 0 3 396.491 0.992 20 0 GCADHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000419501613 1194046046 /nfs/dbraw/zinc/04/60/46/1194046046.db2.gz REELRGPKUJNLLD-OKZBNKHCSA-N 0 3 375.469 0.906 20 0 GCADHN Cc1ccc(OCCNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000419569124 1194062944 /nfs/dbraw/zinc/06/29/44/1194062944.db2.gz BBCYUDDTFOTMLI-MRXNPFEDSA-N 0 3 386.456 0.404 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(=O)N1c1ccccc1 ZINC000664233380 1194063522 /nfs/dbraw/zinc/06/35/22/1194063522.db2.gz MXQLMBCONDWVND-RDJZCZTQSA-N 0 3 389.500 0.842 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)ccc1OC ZINC000419571556 1194063711 /nfs/dbraw/zinc/06/37/11/1194063711.db2.gz GCGHGWUXVLUZGW-MRXNPFEDSA-N 0 3 385.420 0.914 20 0 GCADHN CCc1noc(-c2ccc(CCNC(=O)C(=O)NC[C@H]3CNCCO3)cc2)n1 ZINC000419585553 1194065881 /nfs/dbraw/zinc/06/58/81/1194065881.db2.gz KQAFSLPXYPTJNV-OAHLLOKOSA-N 0 3 387.440 0.062 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000419592741 1194066755 /nfs/dbraw/zinc/06/67/55/1194066755.db2.gz XAOOVLSUYBRROT-CZUORRHYSA-N 0 3 388.468 0.659 20 0 GCADHN CN1C(=O)C[C@H](NC(=O)C(=O)N2CCCNCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000419595281 1194067935 /nfs/dbraw/zinc/06/79/35/1194067935.db2.gz ORDPFGXNKUHRJO-GOEBONIOSA-N 0 3 380.395 0.175 20 0 GCADHN CN1C(=O)C[C@H](NC(=O)C(=O)N2CCCNCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000419595283 1194067977 /nfs/dbraw/zinc/06/79/77/1194067977.db2.gz ORDPFGXNKUHRJO-HOCLYGCPSA-N 0 3 380.395 0.175 20 0 GCADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419609683 1194073560 /nfs/dbraw/zinc/07/35/60/1194073560.db2.gz JGKWXDJMVRKEDS-XJKCOSOUSA-N 0 3 379.457 0.808 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)cc1 ZINC000419655956 1194074004 /nfs/dbraw/zinc/07/40/04/1194074004.db2.gz WYRQXXHXZOUMOG-HNNXBMFYSA-N 0 3 386.456 0.195 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000419647872 1194076421 /nfs/dbraw/zinc/07/64/21/1194076421.db2.gz RUVXNCDSJPQHCR-WMLDXEAASA-N 0 3 385.468 0.777 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000419647870 1194076554 /nfs/dbraw/zinc/07/65/54/1194076554.db2.gz RUVXNCDSJPQHCR-RHSMWYFYSA-N 0 3 385.468 0.777 20 0 GCADHN COCCSc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419667120 1194078157 /nfs/dbraw/zinc/07/81/57/1194078157.db2.gz WWEINOSKEOXWQO-UKRRQHHQSA-N 0 3 381.498 0.707 20 0 GCADHN N[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@H]1c1ccccc1 ZINC000419667954 1194078650 /nfs/dbraw/zinc/07/86/50/1194078650.db2.gz CNHAIWIWFSVEPY-HRCADAONSA-N 0 3 379.482 0.023 20 0 GCADHN N[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)C[C@H]1c1ccccc1 ZINC000419667955 1194078873 /nfs/dbraw/zinc/07/88/73/1194078873.db2.gz CNHAIWIWFSVEPY-OWCLPIDISA-N 0 3 379.482 0.023 20 0 GCADHN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)C(=O)N1CCCNCC1 ZINC000419682933 1194081452 /nfs/dbraw/zinc/08/14/52/1194081452.db2.gz UAGFBKOBPWLVMW-UHFFFAOYSA-N 0 3 375.404 0.746 20 0 GCADHN CC(=O)Nc1cccc(OCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419683367 1194081973 /nfs/dbraw/zinc/08/19/73/1194081973.db2.gz KNYBWAQDCNQRBJ-LRDDRELGSA-N 0 3 392.456 0.369 20 0 GCADHN CC(=O)Nc1cccc(OCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419683369 1194082141 /nfs/dbraw/zinc/08/21/41/1194082141.db2.gz KNYBWAQDCNQRBJ-MLGOLLRUSA-N 0 3 392.456 0.369 20 0 GCADHN COc1ccc(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000419702303 1194082486 /nfs/dbraw/zinc/08/24/86/1194082486.db2.gz BBTSJRMYUFEPOT-AWEZNQCLSA-N 0 3 379.457 0.202 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000419704410 1194082882 /nfs/dbraw/zinc/08/28/82/1194082882.db2.gz GKJFSPXWNIRUED-AAEUAGOBSA-N 0 3 394.438 0.606 20 0 GCADHN COc1ccc(OC)c(CCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419697899 1194087451 /nfs/dbraw/zinc/08/74/51/1194087451.db2.gz OYYZEDUWOHCVLQ-BBRMVZONSA-N 0 3 393.484 0.982 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCc3ccc(Cl)cc3)C2)nn1 ZINC000419729680 1194089383 /nfs/dbraw/zinc/08/93/83/1194089383.db2.gz IJUXQTUXVZJALK-OAHLLOKOSA-N 0 3 376.848 0.870 20 0 GCADHN CCOC(=O)c1csc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)n1 ZINC000419731461 1194089938 /nfs/dbraw/zinc/08/99/38/1194089938.db2.gz LJWLTZJGYUKSJO-MNOVXSKESA-N 0 3 398.485 0.208 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CCc2ccccc2C1=O ZINC000419733719 1194090232 /nfs/dbraw/zinc/09/02/32/1194090232.db2.gz OMTASWMPPAFJIK-BBRMVZONSA-N 0 3 388.468 0.030 20 0 GCADHN C[C@H]1CNCCN1C(=O)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000419718428 1194092395 /nfs/dbraw/zinc/09/23/95/1194092395.db2.gz DKRYAMCUAPVNGM-ZDUSSCGKSA-N 0 3 380.439 0.866 20 0 GCADHN CCOc1c(Cl)cc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1OC ZINC000419723828 1194093441 /nfs/dbraw/zinc/09/34/41/1194093441.db2.gz OXPXEPFKMMWPNQ-GFCCVEGCSA-N 0 3 385.848 0.468 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCCCN2CCOCC2)cc1 ZINC000419726016 1194094153 /nfs/dbraw/zinc/09/41/53/1194094153.db2.gz TYSFYPDOJHKODE-SFHVURJKSA-N 0 3 376.501 0.765 20 0 GCADHN O=C(NCCOc1ccccc1C(F)(F)F)C(=O)NC[C@@H]1CNCCO1 ZINC000419741246 1194094955 /nfs/dbraw/zinc/09/49/55/1194094955.db2.gz IFMOXXUKXAQGID-NSHDSACASA-N 0 3 375.347 0.305 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000419748424 1194096116 /nfs/dbraw/zinc/09/61/16/1194096116.db2.gz UROHSGOSYOFJIF-AWEZNQCLSA-N 0 3 395.887 0.609 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000419752160 1194096887 /nfs/dbraw/zinc/09/68/87/1194096887.db2.gz LNRBQMWTAUVKHJ-CYBMUJFWSA-N 0 3 383.514 0.680 20 0 GCADHN CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C(=O)N2CCC[C@H]2CN)cc1 ZINC000419751574 1194097201 /nfs/dbraw/zinc/09/72/01/1194097201.db2.gz KNWMFZWLHLAEBQ-HNNXBMFYSA-N 0 3 395.525 0.824 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1S(C)(=O)=O ZINC000419772759 1194102714 /nfs/dbraw/zinc/10/27/14/1194102714.db2.gz ITAVRGAHWWOCOF-TZMCWYRMSA-N 0 3 397.497 0.244 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000419796589 1194105635 /nfs/dbraw/zinc/10/56/35/1194105635.db2.gz QKRSZGZCHUIJSB-GXTWGEPZSA-N 0 3 379.457 0.592 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000419796591 1194105871 /nfs/dbraw/zinc/10/58/71/1194105871.db2.gz QKRSZGZCHUIJSB-OCCSQVGLSA-N 0 3 379.457 0.592 20 0 GCADHN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C(=O)N1CCCNCC1 ZINC000419789749 1194108547 /nfs/dbraw/zinc/10/85/47/1194108547.db2.gz UFQZETBXWGDTSU-YLJYHZDGSA-N 0 3 377.460 0.838 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000419818854 1194109349 /nfs/dbraw/zinc/10/93/49/1194109349.db2.gz SOCVGJBDCNPBHU-UHFFFAOYSA-N 0 3 394.497 0.620 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)N2CCNC[C@@H]2C)C[C@@H](C)O1 ZINC000419812020 1194112526 /nfs/dbraw/zinc/11/25/26/1194112526.db2.gz HTYFIXYQLDANGR-GVDBMIGSSA-N 0 3 388.512 0.732 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)CC1 ZINC000419834020 1194116696 /nfs/dbraw/zinc/11/66/96/1194116696.db2.gz ZZWYRNXOGQKOMS-UHFFFAOYSA-N 0 3 382.411 0.950 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1)c1ccccc1 ZINC000419922206 1194139208 /nfs/dbraw/zinc/13/92/08/1194139208.db2.gz ZCTCSIKRLPWOSF-CYBMUJFWSA-N 0 3 390.381 0.847 20 0 GCADHN CCOC(=O)C1(COC)CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419927688 1194140254 /nfs/dbraw/zinc/14/02/54/1194140254.db2.gz KCIRRVHQHVTPLB-MRXNPFEDSA-N 0 3 391.468 0.621 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419927712 1194140313 /nfs/dbraw/zinc/14/03/13/1194140313.db2.gz KCZKWGZCLWQYTB-UAGQMJEPSA-N 0 3 390.484 0.192 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CCN1CCOC ZINC000419930663 1194140606 /nfs/dbraw/zinc/14/06/06/1194140606.db2.gz OKSGXJHUXHXEGL-ZWKOTPCHSA-N 0 3 376.501 0.762 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)[C@H](C)C2)[nH]n1 ZINC000419937016 1194145037 /nfs/dbraw/zinc/14/50/37/1194145037.db2.gz VDXYGMKVTMRLAI-ZBFHGGJFSA-N 0 3 398.467 0.207 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)[C@H](C)C2)n[nH]1 ZINC000419937016 1194145039 /nfs/dbraw/zinc/14/50/39/1194145039.db2.gz VDXYGMKVTMRLAI-ZBFHGGJFSA-N 0 3 398.467 0.207 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H](N)c2ccccc2)C[C@@H](C)O1 ZINC000419935793 1194145170 /nfs/dbraw/zinc/14/51/70/1194145170.db2.gz SSIDTNZWRFSRDJ-ZAWLATJESA-N 0 3 388.512 0.903 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)c1ccccc1 ZINC000419936788 1194145315 /nfs/dbraw/zinc/14/53/15/1194145315.db2.gz VBCMVXWVXKJBNO-SFHVURJKSA-N 0 3 398.438 0.813 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)c1ccccc1 ZINC000419936786 1194145507 /nfs/dbraw/zinc/14/55/07/1194145507.db2.gz VBCMVXWVXKJBNO-GOSISDBHSA-N 0 3 398.438 0.813 20 0 GCADHN CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419940673 1194145728 /nfs/dbraw/zinc/14/57/28/1194145728.db2.gz ZWTVVXDABIMSRG-HNNXBMFYSA-N 0 3 375.473 0.455 20 0 GCADHN O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000419977130 1194150652 /nfs/dbraw/zinc/15/06/52/1194150652.db2.gz MMOPBKCYMKTMSE-OAHLLOKOSA-N 0 3 388.468 0.183 20 0 GCADHN C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000419992961 1194153955 /nfs/dbraw/zinc/15/39/55/1194153955.db2.gz JTTJQHYZYOHHTA-SNVBAGLBSA-N 0 3 382.848 0.686 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000420024494 1194158419 /nfs/dbraw/zinc/15/84/19/1194158419.db2.gz BECSVULAVKWDHM-WFASDCNBSA-N 0 3 396.438 0.843 20 0 GCADHN COCCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420024650 1194158978 /nfs/dbraw/zinc/15/89/78/1194158978.db2.gz BJBJHSKTAIPWNT-RDJZCZTQSA-N 0 3 377.485 0.933 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000420023983 1194159071 /nfs/dbraw/zinc/15/90/71/1194159071.db2.gz AZWWZHMKDUOKMT-TZMCWYRMSA-N 0 3 395.891 0.613 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000420028154 1194159377 /nfs/dbraw/zinc/15/93/77/1194159377.db2.gz DLNZLTPQWOXAQV-ZFWWWQNUSA-N 0 3 378.448 0.704 20 0 GCADHN Cc1nc(N2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)sc1C ZINC000420027159 1194159718 /nfs/dbraw/zinc/15/97/18/1194159718.db2.gz CWFJHAGEPLGOAW-JSGCOSHPSA-N 0 3 395.529 0.638 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000420026683 1194159800 /nfs/dbraw/zinc/15/98/00/1194159800.db2.gz 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C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000420032938 1194160992 /nfs/dbraw/zinc/16/09/92/1194160992.db2.gz IGQDMRMSERVONV-GDBMZVCRSA-N 0 3 397.479 0.986 20 0 GCADHN CCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420057846 1194163872 /nfs/dbraw/zinc/16/38/72/1194163872.db2.gz JMQWELXRBNVGGV-GXTWGEPZSA-N 0 3 377.441 0.993 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000420038324 1194165596 /nfs/dbraw/zinc/16/55/96/1194165596.db2.gz MXRMZLQRIRMDPK-MNOVXSKESA-N 0 3 398.401 0.260 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420036776 1194165612 /nfs/dbraw/zinc/16/56/12/1194165612.db2.gz LKFCPYVVQLQCNK-GDBMZVCRSA-N 0 3 395.504 0.241 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000420040220 1194166206 /nfs/dbraw/zinc/16/62/06/1194166206.db2.gz ONOADGKJDRHTKU-SMDDNHRTSA-N 0 3 391.472 0.882 20 0 GCADHN COCCCN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420038925 1194166227 /nfs/dbraw/zinc/16/62/27/1194166227.db2.gz NJLHBSKEGTWKNY-ZBFHGGJFSA-N 0 3 378.473 0.676 20 0 GCADHN COCCCN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420038922 1194166326 /nfs/dbraw/zinc/16/63/26/1194166326.db2.gz NJLHBSKEGTWKNY-GDBMZVCRSA-N 0 3 378.473 0.676 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000420042470 1194166818 /nfs/dbraw/zinc/16/68/18/1194166818.db2.gz QSQMXZNLPPHLPG-LUQKVYGDSA-N 0 3 389.496 0.768 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CCN1CC(F)F ZINC000420042384 1194166945 /nfs/dbraw/zinc/16/69/45/1194166945.db2.gz QMRZNWHSVBBPCL-XQQFMLRXSA-N 0 3 376.448 0.404 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000420047610 1194168989 /nfs/dbraw/zinc/16/89/89/1194168989.db2.gz WMSNWVOHRWVSQF-RRFJBIMHSA-N 0 3 396.532 0.617 20 0 GCADHN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420047053 1194168999 /nfs/dbraw/zinc/16/89/99/1194168999.db2.gz VXMZJDXEEZSWDU-SOUVJXGZSA-N 0 3 383.489 0.796 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000420047609 1194169021 /nfs/dbraw/zinc/16/90/21/1194169021.db2.gz WMSNWVOHRWVSQF-KKUMJFAQSA-N 0 3 396.532 0.617 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)c1ccc2ccccc2c1 ZINC000420048788 1194169415 /nfs/dbraw/zinc/16/94/15/1194169415.db2.gz FKCDFAAJKVWTME-RDTXWAMCSA-N 0 3 397.479 0.863 20 0 GCADHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420051050 1194169573 /nfs/dbraw/zinc/16/95/73/1194169573.db2.gz ZWOSKAAMYBUJRE-JONQDZQNSA-N 0 3 396.532 0.759 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000420049435 1194169583 /nfs/dbraw/zinc/16/95/83/1194169583.db2.gz YDQZVICCOBYTRZ-VBNZEHGJSA-N 0 3 379.432 0.955 20 0 GCADHN COc1c(C)cnc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1C ZINC000420054492 1194170250 /nfs/dbraw/zinc/17/02/50/1194170250.db2.gz HEMPJURUOFMSHH-UONOGXRCSA-N 0 3 378.473 0.895 20 0 GCADHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420067978 1194171719 /nfs/dbraw/zinc/17/17/19/1194171719.db2.gz SMYOSXYQMQAPFM-BIENJYKASA-N 0 3 383.489 0.653 20 0 GCADHN Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@H](CN)c1ccc3ccccc3c1)C2 ZINC000420075251 1194173120 /nfs/dbraw/zinc/17/31/20/1194173120.db2.gz JMCHPKHDDDVWMW-QGZVFWFLSA-N 0 3 378.436 0.898 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000420065673 1194176128 /nfs/dbraw/zinc/17/61/28/1194176128.db2.gz PSCIMLRRANAVFW-ONGXEEELSA-N 0 3 391.394 0.627 20 0 GCADHN COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)CC2 ZINC000420065698 1194176271 /nfs/dbraw/zinc/17/62/71/1194176271.db2.gz PUUFRPKBEOQSAY-MLGOLLRUSA-N 0 3 389.452 0.587 20 0 GCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(F)(F)CN ZINC000420166638 1194198846 /nfs/dbraw/zinc/19/88/46/1194198846.db2.gz IYTDQPAICBXGKA-OAHLLOKOSA-N 0 3 383.443 0.605 20 0 GCADHN CN(CCCc1cc(-c2ccccc2)no1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420199257 1194202204 /nfs/dbraw/zinc/20/22/04/1194202204.db2.gz LUOPCPDHCZEHOW-QGZVFWFLSA-N 0 3 386.452 0.837 20 0 GCADHN CCOc1cc2c(cc1OCC)CN(C(=O)C(=O)NC[C@H]1CNCCO1)CC2 ZINC000420201403 1194203461 /nfs/dbraw/zinc/20/34/61/1194203461.db2.gz ONSNSRCNVNARDB-MRXNPFEDSA-N 0 3 391.468 0.473 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000420202438 1194203526 /nfs/dbraw/zinc/20/35/26/1194203526.db2.gz PSKWCEFQQXZRLX-QGZVFWFLSA-N 0 3 394.903 0.479 20 0 GCADHN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420201691 1194203888 /nfs/dbraw/zinc/20/38/88/1194203888.db2.gz OGYCDUKDJJHHIS-SJORKVTESA-N 0 3 391.468 0.307 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000420188019 1194206306 /nfs/dbraw/zinc/20/63/06/1194206306.db2.gz CCJIJKZNKUNYSG-ZIAGYGMSSA-N 0 3 392.525 0.833 20 0 GCADHN COc1ccc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000420190014 1194207281 /nfs/dbraw/zinc/20/72/81/1194207281.db2.gz FKYOIFQBRRIBET-GJZGRUSLSA-N 0 3 377.441 0.472 20 0 GCADHN COc1ccc([C@H]2CCCN2C(=O)C(=O)NC[C@H]2CNCCO2)c(OC)c1 ZINC000420191475 1194207347 /nfs/dbraw/zinc/20/73/47/1194207347.db2.gz HGXMHQXCZAUFGK-GDBMZVCRSA-N 0 3 377.441 0.472 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000420193563 1194208094 /nfs/dbraw/zinc/20/80/94/1194208094.db2.gz COMYEOZOMDHHSC-HNNXBMFYSA-N 0 3 381.423 0.851 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000420194302 1194208106 /nfs/dbraw/zinc/20/81/06/1194208106.db2.gz JRPFFPGMOGIDQY-ZWKOTPCHSA-N 0 3 375.469 0.341 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000420192832 1194208446 /nfs/dbraw/zinc/20/84/46/1194208446.db2.gz IJOMJXXMZOJIMX-HNNXBMFYSA-N 0 3 381.423 0.851 20 0 GCADHN CN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000420209147 1194211827 /nfs/dbraw/zinc/21/18/27/1194211827.db2.gz VIVBXXIGBXUKAI-WFASDCNBSA-N 0 3 394.859 0.008 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000420213677 1194213265 /nfs/dbraw/zinc/21/32/65/1194213265.db2.gz YXUDUZVGAKFYFR-CABCVRRESA-N 0 3 399.394 0.293 20 0 GCADHN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420214926 1194214171 /nfs/dbraw/zinc/21/41/71/1194214171.db2.gz ZZULJDALSGPAEY-RDJZCZTQSA-N 0 3 397.479 0.377 20 0 GCADHN NCc1cn([C@@H]2CCCN(CC(=O)NCCOc3ccc(F)cc3)C2)nn1 ZINC000420380834 1194225166 /nfs/dbraw/zinc/22/51/66/1194225166.db2.gz OKCNKJBRRYGMIM-MRXNPFEDSA-N 0 3 376.436 0.708 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c(C)c1 ZINC000420479679 1194233016 /nfs/dbraw/zinc/23/30/16/1194233016.db2.gz NIQKYOULDXDDGC-OAHLLOKOSA-N 0 3 393.469 0.858 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCCCN1CCOCC1 ZINC000420610533 1194247559 /nfs/dbraw/zinc/24/75/59/1194247559.db2.gz KRYJGWRBVHYNIU-UHFFFAOYSA-N 0 3 382.530 0.477 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccc3c2OCC3)CC1 ZINC000420663715 1194254476 /nfs/dbraw/zinc/25/44/76/1194254476.db2.gz LJFMTUWQJJRQRN-UHFFFAOYSA-N 0 3 381.498 0.796 20 0 GCADHN COCCN1CCC(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)CC1 ZINC000502041748 1194260603 /nfs/dbraw/zinc/26/06/03/1194260603.db2.gz PAHVXLHASIFEKG-HLLBOEOZSA-N 0 3 384.546 0.939 20 0 GCADHN CO[C@@H](CC(C)C)CS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000420762686 1194263216 /nfs/dbraw/zinc/26/32/16/1194263216.db2.gz ZRESYIDELDTSGK-KRWDZBQOSA-N 0 3 391.578 0.764 20 0 GCADHN COCC(COC)N1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000414471808 1194264909 /nfs/dbraw/zinc/26/49/09/1194264909.db2.gz MGSFEBKVWUCCQN-UHFFFAOYSA-N 0 3 378.521 0.007 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)N(C)C ZINC000420813428 1194266389 /nfs/dbraw/zinc/26/63/89/1194266389.db2.gz HHUYMSOROQMYSB-RDJZCZTQSA-N 0 3 376.501 0.967 20 0 GCADHN COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)N(C)C ZINC000420813426 1194266595 /nfs/dbraw/zinc/26/65/95/1194266595.db2.gz HHUYMSOROQMYSB-NVXWUHKLSA-N 0 3 376.501 0.967 20 0 GCADHN COC1([C@H](C)NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCOCC1 ZINC000420835485 1194266607 /nfs/dbraw/zinc/26/66/07/1194266607.db2.gz INZACMAGPTZEEP-FUHWJXTLSA-N 0 3 391.512 0.976 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)Cc1ccccc1 ZINC000420838786 1194266909 /nfs/dbraw/zinc/26/69/09/1194266909.db2.gz LZHUXTFQXAVDCB-IRXDYDNUSA-N 0 3 377.485 0.274 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)Cc1ccccc1 ZINC000420849117 1194268152 /nfs/dbraw/zinc/26/81/52/1194268152.db2.gz YHTMBCOILQVCRU-JKSUJKDBSA-N 0 3 382.455 0.731 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000502104352 1194268336 /nfs/dbraw/zinc/26/83/36/1194268336.db2.gz IXCLNZLAHXRGRQ-UXLLHSPISA-N 0 3 397.483 0.925 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)F)C1)Cc1ccccc1 ZINC000420849111 1194268422 /nfs/dbraw/zinc/26/84/22/1194268422.db2.gz YHTMBCOILQVCRU-HOTGVXAUSA-N 0 3 382.455 0.731 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000502127341 1194270522 /nfs/dbraw/zinc/27/05/22/1194270522.db2.gz SFTGJRDMAYOESB-OAHLLOKOSA-N 0 3 387.488 0.886 20 0 GCADHN CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC000983002402 1194275391 /nfs/dbraw/zinc/27/53/91/1194275391.db2.gz GKMQUGJNOVKKKG-OLMMMNRUSA-N 0 3 379.501 0.487 20 0 GCADHN CN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)C[C@H]1CCCN1C ZINC000421016108 1194284439 /nfs/dbraw/zinc/28/44/39/1194284439.db2.gz XUVPMYYKTACONB-MRXNPFEDSA-N 0 3 399.495 0.386 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502232611 1194285853 /nfs/dbraw/zinc/28/58/53/1194285853.db2.gz OPHPBLPNVYWXNT-HOTGVXAUSA-N 0 3 392.525 0.908 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@@H](CCO)CC2)cc1 ZINC000421022954 1194286304 /nfs/dbraw/zinc/28/63/04/1194286304.db2.gz VKZVFDMYDKGXAZ-OAHLLOKOSA-N 0 3 383.514 0.477 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000414494732 1194286722 /nfs/dbraw/zinc/28/67/22/1194286722.db2.gz 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/nfs/dbraw/zinc/38/93/16/1194389316.db2.gz AHQPIIPSUMUSJH-SFHVURJKSA-N 0 3 391.512 0.884 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000422108579 1194391565 /nfs/dbraw/zinc/39/15/65/1194391565.db2.gz XTWYTHRLYSUUNP-ZIAGYGMSSA-N 0 3 378.439 0.928 20 0 GCADHN CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)C2)n1 ZINC000422119581 1194394775 /nfs/dbraw/zinc/39/47/75/1194394775.db2.gz SIAABDALHOGQAM-KGLIPLIRSA-N 0 3 378.477 0.394 20 0 GCADHN CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)C2)n1 ZINC000422119583 1194395060 /nfs/dbraw/zinc/39/50/60/1194395060.db2.gz SIAABDALHOGQAM-ZIAGYGMSSA-N 0 3 378.477 0.394 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000422140908 1194398169 /nfs/dbraw/zinc/39/81/69/1194398169.db2.gz OTSWEDXGIDKIKI-HOTGVXAUSA-N 0 3 399.532 0.849 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000422150341 1194400044 /nfs/dbraw/zinc/40/00/44/1194400044.db2.gz 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COC(=O)CCN1CCN(C[C@@H](O)COc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000271788640 1194412302 /nfs/dbraw/zinc/41/23/02/1194412302.db2.gz UISGEFBARSWUAG-NVXWUHKLSA-N 0 3 394.468 0.782 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000271826153 1194415541 /nfs/dbraw/zinc/41/55/41/1194415541.db2.gz WJIFLFATHBYPED-QWHCGFSZSA-N 0 3 378.477 0.726 20 0 GCADHN O=S1(=O)C[C@H](NC2CCN(Cc3ccccc3)CC2)[C@@H](N2CCOCC2)C1 ZINC000271841851 1194417282 /nfs/dbraw/zinc/41/72/82/1194417282.db2.gz TVXUIJCBERJAQY-PMACEKPBSA-N 0 3 393.553 0.738 20 0 GCADHN CS[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C[C@H]1N(C)C ZINC000271859402 1194418363 /nfs/dbraw/zinc/41/83/63/1194418363.db2.gz XLLHQGNMROTECQ-CLCXKQKWSA-N 0 3 390.509 0.958 20 0 GCADHN CS[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C[C@@H]1N(C)C ZINC000271859404 1194418569 /nfs/dbraw/zinc/41/85/69/1194418569.db2.gz XLLHQGNMROTECQ-KHYOSLBOSA-N 0 3 390.509 0.958 20 0 GCADHN O=C(NCC(=O)N1CCOCC1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000271889310 1194421294 /nfs/dbraw/zinc/42/12/94/1194421294.db2.gz CAAPLLUXDJMWRA-QZTJIDSGSA-N 0 3 390.484 0.027 20 0 GCADHN CN(C(=O)NCC(=O)N1CCOCC1)C1CCN(CCc2ccccn2)CC1 ZINC000271898577 1194421533 /nfs/dbraw/zinc/42/15/33/1194421533.db2.gz IOWJJCFLBRETMX-UHFFFAOYSA-N 0 3 389.500 0.589 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000272002331 1194428958 /nfs/dbraw/zinc/42/89/58/1194428958.db2.gz HXUGPRDJDPPWRC-AWEZNQCLSA-N 0 3 396.513 0.487 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000272005937 1194429541 /nfs/dbraw/zinc/42/95/41/1194429541.db2.gz XWTRDUQILYKMMM-OAHLLOKOSA-N 0 3 381.498 0.507 20 0 GCADHN CS[C@@H]1CN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@H]1N(C)C ZINC000272070327 1194434233 /nfs/dbraw/zinc/43/42/33/1194434233.db2.gz ULGOEFXHRXHOCV-HZPDHXFCSA-N 0 3 380.514 0.144 20 0 GCADHN CS[C@@H]1CN(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@H]1N(C)C ZINC000272078962 1194435254 /nfs/dbraw/zinc/43/52/54/1194435254.db2.gz VZESIRUAHGYYHO-HUUCEWRRSA-N 0 3 376.482 0.828 20 0 GCADHN COC[C@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000272268805 1194445755 /nfs/dbraw/zinc/44/57/55/1194445755.db2.gz AUHIOZMWIMZFHT-KRWDZBQOSA-N 0 3 397.497 0.661 20 0 GCADHN COC[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000272290172 1194446868 /nfs/dbraw/zinc/44/68/68/1194446868.db2.gz FCEQBPQRQKBZAC-QGZVFWFLSA-N 0 3 397.497 0.661 20 0 GCADHN COc1cc(CN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C2CC2)ccc1O ZINC000272322215 1194449628 /nfs/dbraw/zinc/44/96/28/1194449628.db2.gz YXDCSGIRJUDSMX-UHFFFAOYSA-N 0 3 399.451 0.813 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000272385252 1194455650 /nfs/dbraw/zinc/45/56/50/1194455650.db2.gz GDBAINQHPNPIPG-DLBZAZTESA-N 0 3 392.525 0.787 20 0 GCADHN C[C@H](CNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)CN1CCN(C)CC1 ZINC000272423226 1194458400 /nfs/dbraw/zinc/45/84/00/1194458400.db2.gz KJFMQRLCTOVKKF-KBRIMQKVSA-N 0 3 392.525 0.690 20 0 GCADHN COc1cc(C(=O)NCC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc(OC)c1OC ZINC000272442435 1194460937 /nfs/dbraw/zinc/46/09/37/1194460937.db2.gz LCQNYIUVRICZBN-HIFRSBDPSA-N 0 3 391.468 0.995 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000272492345 1194466237 /nfs/dbraw/zinc/46/62/37/1194466237.db2.gz CISHARHMZMMRCS-FRRDWIJNSA-N 0 3 382.486 0.521 20 0 GCADHN COCCN1CCC(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 ZINC000272492069 1194466385 /nfs/dbraw/zinc/46/63/85/1194466385.db2.gz RTSSNJJMEONTSP-HZPDHXFCSA-N 0 3 379.482 0.918 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)NCCNC(=O)c3ccn[nH]3)CC2)C[C@H](C)O1 ZINC000272495280 1194466399 /nfs/dbraw/zinc/46/63/99/1194466399.db2.gz GZXQIVISYNXBSE-GASCZTMLSA-N 0 3 392.504 0.670 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)[C@@H](C)CN1 ZINC000272529086 1194470053 /nfs/dbraw/zinc/47/00/53/1194470053.db2.gz ICRKGTZMOPPMCE-OLZOCXBDSA-N 0 3 385.461 0.669 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccc(F)c2C(=O)OC)CC1 ZINC000272742341 1194494509 /nfs/dbraw/zinc/49/45/09/1194494509.db2.gz RDJGBBLQKNMIAV-UHFFFAOYSA-N 0 3 381.404 0.778 20 0 GCADHN COc1cccc(C(=O)NCC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000272784270 1194501280 /nfs/dbraw/zinc/50/12/80/1194501280.db2.gz FLWHURQJJIBVPF-KRWDZBQOSA-N 0 3 390.484 0.484 20 0 GCADHN O=S1(=O)C[C@@H](NC2CCN(c3ccccn3)CC2)[C@H](N2CCOCC2)C1 ZINC000272828645 1194507165 /nfs/dbraw/zinc/50/71/65/1194507165.db2.gz HKKCEXUTJWQLGA-IAGOWNOFSA-N 0 3 380.514 0.138 20 0 GCADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000272878882 1194513994 /nfs/dbraw/zinc/51/39/94/1194513994.db2.gz NDZFILHXQOLUBN-HNNXBMFYSA-N 0 3 390.484 0.720 20 0 GCADHN Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000273067422 1194536195 /nfs/dbraw/zinc/53/61/95/1194536195.db2.gz YTOXBQSSPNUMMR-UHFFFAOYSA-N 0 3 382.464 0.848 20 0 GCADHN CCOC(=O)COc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000273170973 1194544789 /nfs/dbraw/zinc/54/47/89/1194544789.db2.gz DRZVEVNADWXSRW-AWEZNQCLSA-N 0 3 377.441 0.977 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000273217612 1194547466 /nfs/dbraw/zinc/54/74/66/1194547466.db2.gz CNPCVEYUZSRKKT-IAGOWNOFSA-N 0 3 390.484 0.922 20 0 GCADHN Cn1c2[n-]c(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C3CC3)nc2c(=O)n(C)c1=O ZINC000273240696 1194548630 /nfs/dbraw/zinc/54/86/30/1194548630.db2.gz HJLWLFQCVBZWMY-NSHDSACASA-N 0 3 392.460 0.353 20 0 GCADHN CC(C)(CC(N)=O)NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000273252997 1194549726 /nfs/dbraw/zinc/54/97/26/1194549726.db2.gz AKVGILRMJMQCDB-IBGZPJMESA-N 0 3 389.456 0.205 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN(CC)CC)CC2)cn1 ZINC000273287840 1194552247 /nfs/dbraw/zinc/55/22/47/1194552247.db2.gz YZODODYTJDICKK-UHFFFAOYSA-N 0 3 384.502 0.655 20 0 GCADHN Cn1nnc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@@H]3CO)cnc21 ZINC000273343488 1194556313 /nfs/dbraw/zinc/55/63/13/1194556313.db2.gz RJCNBBYNXBYMMM-IAGOWNOFSA-N 0 3 380.452 0.976 20 0 GCADHN CCn1cnnc1-c1ccccc1NC(=O)C(=O)NCCN(C)CCCOC ZINC000273349910 1194556844 /nfs/dbraw/zinc/55/68/44/1194556844.db2.gz XWGYEKXVCNVQOB-UHFFFAOYSA-N 0 3 388.472 0.988 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)CC(=O)OC)cc2)CC1 ZINC000273358973 1194557836 /nfs/dbraw/zinc/55/78/36/1194557836.db2.gz SRBFISYQIOADQB-OAHLLOKOSA-N 0 3 390.484 0.830 20 0 GCADHN C[C@@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000273366879 1194557935 /nfs/dbraw/zinc/55/79/35/1194557935.db2.gz DMUBQQOUDIMWCQ-RHSMWYFYSA-N 0 3 397.497 0.803 20 0 GCADHN C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 ZINC000273370473 1194558694 /nfs/dbraw/zinc/55/86/94/1194558694.db2.gz FADGCGSWEQHDHO-RHSMWYFYSA-N 0 3 397.497 0.803 20 0 GCADHN CN1CCN(CCCNC(=O)Cn2cnc3c4ccccc4oc3c2=O)CC1 ZINC000273496004 1194566921 /nfs/dbraw/zinc/56/69/21/1194566921.db2.gz XLPJRMZDDFYTRA-UHFFFAOYSA-N 0 3 383.452 0.896 20 0 GCADHN CCNS(=O)(=O)c1ccc(CC(=O)NCCCN2CCN(C)CC2)cc1 ZINC000273613684 1194576861 /nfs/dbraw/zinc/57/68/61/1194576861.db2.gz YWPWPHQSGABXMK-UHFFFAOYSA-N 0 3 382.530 0.281 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000422243606 1194593180 /nfs/dbraw/zinc/59/31/80/1194593180.db2.gz YNHVCKOAYWKYFJ-AWEZNQCLSA-N 0 3 385.505 0.650 20 0 GCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000422255486 1194594374 /nfs/dbraw/zinc/59/43/74/1194594374.db2.gz DEDBPOQDJFQKHT-GJZGRUSLSA-N 0 3 395.525 0.943 20 0 GCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000422255488 1194594665 /nfs/dbraw/zinc/59/46/65/1194594665.db2.gz DEDBPOQDJFQKHT-LSDHHAIUSA-N 0 3 395.525 0.943 20 0 GCADHN CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000422295067 1194607335 /nfs/dbraw/zinc/60/73/35/1194607335.db2.gz NJKOPLFSGHZSGI-OWCLPIDISA-N 0 3 382.505 0.119 20 0 GCADHN CO[C@@](C)([C@@H](C)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000422299292 1194608120 /nfs/dbraw/zinc/60/81/20/1194608120.db2.gz SCVFQLILZNADAJ-IIMJZQEZSA-N 0 3 396.532 0.365 20 0 GCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000422302609 1194609125 /nfs/dbraw/zinc/60/91/25/1194609125.db2.gz WMEGNGQKISNYMZ-HIFRSBDPSA-N 0 3 396.513 0.325 20 0 GCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000422302612 1194609621 /nfs/dbraw/zinc/60/96/21/1194609621.db2.gz WMEGNGQKISNYMZ-UKRRQHHQSA-N 0 3 396.513 0.325 20 0 GCADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)[C@H](C)N1CCOCC1 ZINC000422303140 1194610259 /nfs/dbraw/zinc/61/02/59/1194610259.db2.gz ZDFAIWAPRIKPDW-HOTGVXAUSA-N 0 3 396.557 0.864 20 0 GCADHN CCCN1C[C@@H](CNC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1=O ZINC000422320635 1194613001 /nfs/dbraw/zinc/61/30/01/1194613001.db2.gz VXZZVUANJHNVRC-FUHWJXTLSA-N 0 3 388.512 0.998 20 0 GCADHN CC(=O)N[C@H]1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000422326664 1194614874 /nfs/dbraw/zinc/61/48/74/1194614874.db2.gz NUJGDZLEQOCJTO-INIZCTEOSA-N 0 3 396.557 0.591 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000422327804 1194615199 /nfs/dbraw/zinc/61/51/99/1194615199.db2.gz PZHRUXFZUDVVLS-DZGCQCFKSA-N 0 3 376.432 0.600 20 0 GCADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)C2)c1 ZINC000664311124 1194618971 /nfs/dbraw/zinc/61/89/71/1194618971.db2.gz GRYOJAHCXAIHSJ-KKXDTOCCSA-N 0 3 378.473 0.599 20 0 GCADHN CC(C)CN(Cc1cnn(C)c1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000422343305 1194620687 /nfs/dbraw/zinc/62/06/87/1194620687.db2.gz URHUPWZGQFVZTO-UHFFFAOYSA-N 0 3 392.548 0.547 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)Cc2ccccc2C1 ZINC000422348469 1194621776 /nfs/dbraw/zinc/62/17/76/1194621776.db2.gz FHTCWDGTTKGYKY-INIZCTEOSA-N 0 3 394.466 0.657 20 0 GCADHN CC(=O)N[C@H]1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000422368451 1194624321 /nfs/dbraw/zinc/62/43/21/1194624321.db2.gz VCNONTVAAHHGJI-KRWDZBQOSA-N 0 3 378.517 0.886 20 0 GCADHN CNC(=O)NC[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)CCO1 ZINC000637716540 1194632450 /nfs/dbraw/zinc/63/24/50/1194632450.db2.gz JCTBHJWRLNSULH-MSOLQXFVSA-N 0 3 389.500 0.909 20 0 GCADHN CC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000422395194 1194635402 /nfs/dbraw/zinc/63/54/02/1194635402.db2.gz FNSFIOTYOXEXEM-OALUTQOASA-N 0 3 388.512 0.996 20 0 GCADHN CC1(C)NC(=O)N(CCN2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1=O ZINC001028704033 1194638989 /nfs/dbraw/zinc/63/89/89/1194638989.db2.gz NHAQNMKNVNEBJP-RDGWLKQMSA-N 0 3 390.484 0.178 20 0 GCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1)CCC2 ZINC000422428207 1194640998 /nfs/dbraw/zinc/64/09/98/1194640998.db2.gz PUCDRFFUWYVYLP-IRXDYDNUSA-N 0 3 391.516 0.964 20 0 GCADHN COC(=O)[C@H]1CSCCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000422437102 1194645307 /nfs/dbraw/zinc/64/53/07/1194645307.db2.gz YUQTYFWDGJQPGN-KGLIPLIRSA-N 0 3 385.530 0.588 20 0 GCADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000422437103 1194645337 /nfs/dbraw/zinc/64/53/37/1194645337.db2.gz YUQTYFWDGJQPGN-UONOGXRCSA-N 0 3 385.530 0.588 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H](C2CC2)C2CCC2)CC1 ZINC000422469229 1194646822 /nfs/dbraw/zinc/64/68/22/1194646822.db2.gz URSQFHYHXGTYON-GOSISDBHSA-N 0 3 376.501 0.448 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCOCC2CCCC2)CC1 ZINC000422464036 1194650779 /nfs/dbraw/zinc/65/07/79/1194650779.db2.gz LLHXSRWYBXFDPQ-KRWDZBQOSA-N 0 3 394.516 0.074 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCOCC2CCCC2)CC1 ZINC000422465107 1194650921 /nfs/dbraw/zinc/65/09/21/1194650921.db2.gz OQOWVESGCBHZTO-UHFFFAOYSA-N 0 3 396.532 0.322 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1nccs1 ZINC000422500575 1194652940 /nfs/dbraw/zinc/65/29/40/1194652940.db2.gz NINQQYBLSLYKSJ-QWHCGFSZSA-N 0 3 379.486 0.085 20 0 GCADHN O=C(NC[C@@H]1CNC(=O)C1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000422501034 1194661319 /nfs/dbraw/zinc/66/13/19/1194661319.db2.gz FNIZMKBZCNBGRR-SFHVURJKSA-N 0 3 386.496 0.406 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1=CCN(C)CC1 ZINC000422534860 1194664389 /nfs/dbraw/zinc/66/43/89/1194664389.db2.gz ZJCMFMUNROCCAK-DYVFJYSZSA-N 0 3 388.443 0.814 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422535104 1194664444 /nfs/dbraw/zinc/66/44/44/1194664444.db2.gz ZWCWNNLBYQAMPJ-MRXNPFEDSA-N 0 3 394.447 0.084 20 0 GCADHN CS(=O)(=O)[N-]c1cncc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000503443771 1194671152 /nfs/dbraw/zinc/67/11/52/1194671152.db2.gz QZDOSPQFBKHYIU-CYBMUJFWSA-N 0 3 382.486 0.684 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[C@H]1CC1(C)C ZINC000422583054 1194671644 /nfs/dbraw/zinc/67/16/44/1194671644.db2.gz WARNBMYEAGYXJH-HZPDHXFCSA-N 0 3 380.533 0.940 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1(O)CCOCC1 ZINC000422580341 1194671692 /nfs/dbraw/zinc/67/16/92/1194671692.db2.gz KMLQRXXQCPHDCP-MRXNPFEDSA-N 0 3 381.517 0.757 20 0 GCADHN CCCN1C[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC1=O ZINC000422605801 1194674173 /nfs/dbraw/zinc/67/41/73/1194674173.db2.gz QVWWEILFXGGMEW-HNNXBMFYSA-N 0 3 378.473 0.545 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503479670 1194678190 /nfs/dbraw/zinc/67/81/90/1194678190.db2.gz OQCZFFTUZDGROW-OWCLPIDISA-N 0 3 382.486 0.777 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422627919 1194678324 /nfs/dbraw/zinc/67/83/24/1194678324.db2.gz RBTWOONZJQDYIJ-FZMZJTMJSA-N 0 3 378.454 0.875 20 0 GCADHN CON1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000422631953 1194678811 /nfs/dbraw/zinc/67/88/11/1194678811.db2.gz LMTMJGHAUWARBP-UHFFFAOYSA-N 0 3 380.464 0.858 20 0 GCADHN COC1([C@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CCOCC1 ZINC000422636757 1194679789 /nfs/dbraw/zinc/67/97/89/1194679789.db2.gz PPVYXBDYVQURSN-JKSUJKDBSA-N 0 3 385.505 0.256 20 0 GCADHN CS(=O)(=O)C1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000664323578 1194691953 /nfs/dbraw/zinc/69/19/53/1194691953.db2.gz KCAYJTIOJKZRMF-UHFFFAOYSA-N 0 3 381.498 0.582 20 0 GCADHN NC(=O)c1cnn2c1nccc2C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000503555642 1194694721 /nfs/dbraw/zinc/69/47/21/1194694721.db2.gz JXCBRWDAEMQUIF-HXUWFJFHSA-N 0 3 394.435 0.195 20 0 GCADHN CN1CCN(CCOc2ccc(NC(=O)C(=O)NCCN3CCC3)cc2)CC1 ZINC000503599125 1194698466 /nfs/dbraw/zinc/69/84/66/1194698466.db2.gz FYGMYCCBOSYOLL-UHFFFAOYSA-N 0 3 389.500 0.073 20 0 GCADHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@@](C)([NH2+]CC(=O)[O-])C1 ZINC000422784325 1194698475 /nfs/dbraw/zinc/69/84/75/1194698475.db2.gz OAMBZFPFKSLXTE-HXUWFJFHSA-N 0 3 396.532 0.622 20 0 GCADHN CCOc1ncccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503602577 1194700895 /nfs/dbraw/zinc/70/08/95/1194700895.db2.gz VRFWVALJBCQXIY-UHFFFAOYSA-N 0 3 389.456 0.185 20 0 GCADHN CC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000503626183 1194701244 /nfs/dbraw/zinc/70/12/44/1194701244.db2.gz GGESTTAXAQFTHD-UHFFFAOYSA-N 0 3 386.452 0.594 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(C)c1 ZINC000503628694 1194701731 /nfs/dbraw/zinc/70/17/31/1194701731.db2.gz NOFKLNZALPLICB-UHFFFAOYSA-N 0 3 388.468 0.709 20 0 GCADHN CCOC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(CC)CC2)cc1 ZINC000041719967 1194704165 /nfs/dbraw/zinc/70/41/65/1194704165.db2.gz GGVUYWVCWURGCF-UHFFFAOYSA-N 0 3 390.484 0.946 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000414702559 1194706876 /nfs/dbraw/zinc/70/68/76/1194706876.db2.gz HZLPSMPGKXKKMA-ZDUSSCGKSA-N 0 3 375.425 0.909 20 0 GCADHN CN(C(=O)NCCN1C(=O)CNC1=O)C1CCN(CCc2ccccn2)CC1 ZINC000503696372 1194709441 /nfs/dbraw/zinc/70/94/41/1194709441.db2.gz APJNTQBSVYBDSN-UHFFFAOYSA-N 0 3 388.472 0.282 20 0 GCADHN COc1ccc(NC(=O)[C@H](N)C2CCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000422921198 1194710765 /nfs/dbraw/zinc/71/07/65/1194710765.db2.gz NQTJWJFUFBIWLX-MRXNPFEDSA-N 0 3 383.470 0.782 20 0 GCADHN CN(CCOc1ccccc1)C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000422991592 1194713811 /nfs/dbraw/zinc/71/38/11/1194713811.db2.gz PVGHWUAFFIFMFL-MRXNPFEDSA-N 0 3 386.456 0.438 20 0 GCADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000503766271 1194716396 /nfs/dbraw/zinc/71/63/96/1194716396.db2.gz VFCUDRGBRNFPRS-DOTOQJQBSA-N 0 3 394.541 0.740 20 0 GCADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000503766717 1194716434 /nfs/dbraw/zinc/71/64/34/1194716434.db2.gz ASGSVAGNLMQGPH-SFHVURJKSA-N 0 3 389.500 0.926 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CC[C@H](Cc4ccccc4)C3)C2)nn1 ZINC000423105893 1194730187 /nfs/dbraw/zinc/73/01/87/1194730187.db2.gz CPNYNLHWGLPTDG-MJGOQNOKSA-N 0 3 396.495 0.992 20 0 GCADHN CS[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000503912315 1194733645 /nfs/dbraw/zinc/73/36/45/1194733645.db2.gz NEGPPSHPNKDFKG-CVEARBPZSA-N 0 3 396.557 0.543 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCCc4ccccc4C3)C2)nn1 ZINC000423275753 1194745816 /nfs/dbraw/zinc/74/58/16/1194745816.db2.gz NHVDMQMTFICOHE-GOSISDBHSA-N 0 3 382.468 0.875 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3COCCO3)c2)CC1 ZINC000504043898 1194746863 /nfs/dbraw/zinc/74/68/63/1194746863.db2.gz MBCRDDPAIKXPLP-SFHVURJKSA-N 0 3 390.484 0.687 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCc4cc(F)ccc4C3)C2)nn1 ZINC000423316009 1194747066 /nfs/dbraw/zinc/74/70/66/1194747066.db2.gz BLLKVUHUFLLBDR-KRWDZBQOSA-N 0 3 386.431 0.624 20 0 GCADHN CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000423315950 1194747202 /nfs/dbraw/zinc/74/72/02/1194747202.db2.gz JIDICFRVZPRMCE-DUVNUKRYSA-N 0 3 399.488 0.360 20 0 GCADHN COC[C@@H](O)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504048313 1194747577 /nfs/dbraw/zinc/74/75/77/1194747577.db2.gz JNEHEIWRALAADG-KRWDZBQOSA-N 0 3 378.473 0.279 20 0 GCADHN COCC(=O)N1CCC(NC(=O)N(CCN(C)C)Cc2ccccn2)CC1 ZINC000504034099 1194748033 /nfs/dbraw/zinc/74/80/33/1194748033.db2.gz HFZMGSMJJMHHNA-UHFFFAOYSA-N 0 3 377.489 0.792 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCc4ccc(F)cc4C3)C2)nn1 ZINC000423302169 1194748172 /nfs/dbraw/zinc/74/81/72/1194748172.db2.gz JCIKIPVFDBWQOP-QGZVFWFLSA-N 0 3 386.431 0.624 20 0 GCADHN CCN(C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1)[C@@H](C)CS(C)(=O)=O ZINC000423303131 1194748390 /nfs/dbraw/zinc/74/83/90/1194748390.db2.gz LARMZCUMXHSHPC-VBNZEHGJSA-N 0 3 399.488 0.360 20 0 GCADHN CCN(C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1)[C@H](C)CS(C)(=O)=O ZINC000423303129 1194748497 /nfs/dbraw/zinc/74/84/97/1194748497.db2.gz LARMZCUMXHSHPC-UHOFOFEASA-N 0 3 399.488 0.360 20 0 GCADHN CC(C)C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423302991 1194748622 /nfs/dbraw/zinc/74/86/22/1194748622.db2.gz IHYMVJNUTNIAIN-CVEARBPZSA-N 0 3 378.477 0.174 20 0 GCADHN CCN(C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)[C@@H](C)CS(=O)(=O)CC ZINC000423329538 1194749540 /nfs/dbraw/zinc/74/95/40/1194749540.db2.gz SZPNQYGDVDIZFH-BHYGNILZSA-N 0 3 395.525 0.611 20 0 GCADHN COc1cc(C(=O)N2CCN(C[C@@H]3CCCN(C(=O)CN)C3)CC2)ccc1C ZINC000414741092 1194753980 /nfs/dbraw/zinc/75/39/80/1194753980.db2.gz HCXBYMUZJQELAI-KRWDZBQOSA-N 0 3 388.512 0.959 20 0 GCADHN CCCNC(=S)N1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001279121491 1194754010 /nfs/dbraw/zinc/75/40/10/1194754010.db2.gz ALUQWKNSHCAPOP-IAGOWNOFSA-N 0 3 381.590 0.974 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)C(=O)NCc1ccccc1 ZINC000414741331 1194754402 /nfs/dbraw/zinc/75/44/02/1194754402.db2.gz KQWBALCVKFOEHF-AWEZNQCLSA-N 0 3 396.447 0.928 20 0 GCADHN O=C(CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCC1)NC1CCOCC1 ZINC001482225357 1194756803 /nfs/dbraw/zinc/75/68/03/1194756803.db2.gz SBDYLJZWKUDBAE-BCDMZGRMSA-N 0 3 391.512 0.724 20 0 GCADHN C[C@@H]1COc2ccccc2CN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423558244 1194763607 /nfs/dbraw/zinc/76/36/07/1194763607.db2.gz CRRYKONORTXRHL-PBHICJAKSA-N 0 3 398.467 0.710 20 0 GCADHN CC(C)(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCO1 ZINC000423590834 1194766999 /nfs/dbraw/zinc/76/69/99/1194766999.db2.gz GMNBYTGOWMLRRX-GJZGRUSLSA-N 0 3 378.477 0.174 20 0 GCADHN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@H]1CNCCO1 ZINC000414751363 1194768524 /nfs/dbraw/zinc/76/85/24/1194768524.db2.gz IPYVHWSHXKXICF-GFCCVEGCSA-N 0 3 385.490 0.113 20 0 GCADHN CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423571536 1194768639 /nfs/dbraw/zinc/76/86/39/1194768639.db2.gz OUQJTAHERGZVKY-LPHOPBHVSA-N 0 3 392.504 0.300 20 0 GCADHN COc1cc(OC)cc(OCCCN(C)C(=O)C(=O)N2CCCNCC2)c1 ZINC000423609832 1194772804 /nfs/dbraw/zinc/77/28/04/1194772804.db2.gz LWIQJCXXTPBZOA-UHFFFAOYSA-N 0 3 379.457 0.753 20 0 GCADHN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423617876 1194774376 /nfs/dbraw/zinc/77/43/76/1194774376.db2.gz YBYDGJHXDKZJSC-AWEZNQCLSA-N 0 3 380.439 0.992 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCN(Cc3ccccc3)CC2)CCN1 ZINC000423673117 1194784076 /nfs/dbraw/zinc/78/40/76/1194784076.db2.gz FSNFWERKGVLUQM-GOSISDBHSA-N 0 3 387.528 0.083 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C[C@H]1C[NH3+] ZINC000423702966 1194784185 /nfs/dbraw/zinc/78/41/85/1194784185.db2.gz AUKCKGITGFYWPS-HUUCEWRRSA-N 0 3 388.468 0.120 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)CCN1 ZINC000423675947 1194784504 /nfs/dbraw/zinc/78/45/04/1194784504.db2.gz IGJFCWRTAUVLDT-AWEZNQCLSA-N 0 3 382.468 0.998 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCOC2)cc1)[C@@H]1CCCN(C)C1 ZINC000504326333 1194784512 /nfs/dbraw/zinc/78/45/12/1194784512.db2.gz WAZCVFKBLIOLLM-DLBZAZTESA-N 0 3 388.468 0.696 20 0 GCADHN C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000423678920 1194784763 /nfs/dbraw/zinc/78/47/63/1194784763.db2.gz LEBZVTUMKQYZKF-YOEHRIQHSA-N 0 3 388.468 0.405 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000414756520 1194784872 /nfs/dbraw/zinc/78/48/72/1194784872.db2.gz JXKNQCIXAPOCQS-FZMZJTMJSA-N 0 3 378.429 0.824 20 0 GCADHN C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000423729567 1194790141 /nfs/dbraw/zinc/79/01/41/1194790141.db2.gz KLXHQYFDMWVLMA-CABCVRRESA-N 0 3 388.468 0.262 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000664367692 1194794687 /nfs/dbraw/zinc/79/46/87/1194794687.db2.gz AXTUUZJSRHMHRT-UHFFFAOYSA-N 0 3 398.533 0.459 20 0 GCADHN CCc1ccccc1[C@H](N)CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000423946700 1194796769 /nfs/dbraw/zinc/79/67/69/1194796769.db2.gz VCJCFPOILZFVIK-QGZVFWFLSA-N 0 3 389.477 0.938 20 0 GCADHN C[C@H](C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)S(C)(=O)=O ZINC000504524685 1194796929 /nfs/dbraw/zinc/79/69/29/1194796929.db2.gz FHYCJDMBTZDJFF-CQSZACIVSA-N 0 3 381.498 0.562 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000423995024 1194797645 /nfs/dbraw/zinc/79/76/45/1194797645.db2.gz UBOFEZRJHRISME-MRXNPFEDSA-N 0 3 381.498 0.500 20 0 GCADHN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3CNCCO3)n(C)c2)C1 ZINC000423990133 1194798234 /nfs/dbraw/zinc/79/82/34/1194798234.db2.gz JTVGPERTWKYXSL-UONOGXRCSA-N 0 3 384.502 0.164 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC[C@H]2CNCCO2)c1 ZINC000423987011 1194798277 /nfs/dbraw/zinc/79/82/77/1194798277.db2.gz HBXRMYZOKZLDSW-CYBMUJFWSA-N 0 3 385.486 0.444 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000423990858 1194798404 /nfs/dbraw/zinc/79/84/04/1194798404.db2.gz DCGORUFFKRPCNV-ZIAGYGMSSA-N 0 3 381.860 0.672 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC[C@@H]1CNCCO1 ZINC000423998051 1194798590 /nfs/dbraw/zinc/79/85/90/1194798590.db2.gz ZGGSBMUPNLTOKY-QWRGUYRKSA-N 0 3 395.403 0.477 20 0 GCADHN CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504587801 1194800156 /nfs/dbraw/zinc/80/01/56/1194800156.db2.gz XNXNRRXRRYRREN-OAHLLOKOSA-N 0 3 389.500 0.796 20 0 GCADHN CC(C)NC(=O)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504584555 1194800243 /nfs/dbraw/zinc/80/02/43/1194800243.db2.gz CPIMUIWPDNGURC-UHFFFAOYSA-N 0 3 389.500 0.796 20 0 GCADHN CCCC[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000504660187 1194802336 /nfs/dbraw/zinc/80/23/36/1194802336.db2.gz JQHKGZKZFHEIJG-MRXNPFEDSA-N 0 3 382.505 0.074 20 0 GCADHN COC(=O)c1cn(CCNC(=O)N2CCN(CC3CCCCC3)CC2)nn1 ZINC000504716434 1194804585 /nfs/dbraw/zinc/80/45/85/1194804585.db2.gz PQIIQNYRQWSKLZ-UHFFFAOYSA-N 0 3 378.477 0.972 20 0 GCADHN COc1cc(CN2CC[C@H](NC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)C2)cc(OC)c1 ZINC000664382713 1194807672 /nfs/dbraw/zinc/80/76/72/1194807672.db2.gz ZTGGMLNRIMOAGS-SNRMKQJTSA-N 0 3 392.500 0.594 20 0 GCADHN COC[C@@H](O)CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504889271 1194809815 /nfs/dbraw/zinc/80/98/15/1194809815.db2.gz ULIQSJCRUBDSCY-SFHVURJKSA-N 0 3 392.500 0.669 20 0 GCADHN CCOC[C@@H](O)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000505004235 1194820353 /nfs/dbraw/zinc/82/03/53/1194820353.db2.gz BRNLDHRBXXQXFC-SFHVURJKSA-N 0 3 392.500 0.669 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCC(=O)NC3)c2)CC1 ZINC000505020122 1194824667 /nfs/dbraw/zinc/82/46/67/1194824667.db2.gz HJTJVXGVMLITRC-MRXNPFEDSA-N 0 3 387.484 0.550 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C)C3)c2)CC1 ZINC000505069482 1194826246 /nfs/dbraw/zinc/82/62/46/1194826246.db2.gz XRMMCXCGRUJZCA-INIZCTEOSA-N 0 3 387.484 0.502 20 0 GCADHN COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)CNC[C@H]2CCCO2)c1 ZINC000430076482 1194826495 /nfs/dbraw/zinc/82/64/95/1194826495.db2.gz DNSNRRFHTUFAPU-CQSZACIVSA-N 0 3 390.444 0.407 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000424645724 1194827149 /nfs/dbraw/zinc/82/71/49/1194827149.db2.gz SZVREQMZPCESBV-SFHVURJKSA-N 0 3 384.484 0.869 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000664406342 1194832145 /nfs/dbraw/zinc/83/21/45/1194832145.db2.gz SBDPLKWEZMFGKC-RDJZCZTQSA-N 0 3 395.529 0.441 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000664406341 1194832238 /nfs/dbraw/zinc/83/22/38/1194832238.db2.gz SBDPLKWEZMFGKC-NVXWUHKLSA-N 0 3 395.529 0.441 20 0 GCADHN COCCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425055699 1194836365 /nfs/dbraw/zinc/83/63/65/1194836365.db2.gz IHELKLCXLAPZGP-DOTOQJQBSA-N 0 3 381.498 0.778 20 0 GCADHN O=C(CN1CCC(CCN2CCOCC2)CC1)NCCCN1CCCC1=O ZINC000513822182 1194837869 /nfs/dbraw/zinc/83/78/69/1194837869.db2.gz XTBZDQHDJVRBSW-UHFFFAOYSA-N 0 3 380.533 0.549 20 0 GCADHN O=C(NCC1(N2CCOCC2)CC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000434465408 1194846260 /nfs/dbraw/zinc/84/62/60/1194846260.db2.gz OLLGXAZRLLCCLO-NRFANRHFSA-N 0 3 388.512 0.787 20 0 GCADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000434481245 1194847326 /nfs/dbraw/zinc/84/73/26/1194847326.db2.gz CSVUDGWEGLOQLM-HXUWFJFHSA-N 0 3 390.528 0.350 20 0 GCADHN CNC(=O)CNC(=O)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000366585167 1194847894 /nfs/dbraw/zinc/84/78/94/1194847894.db2.gz WBAOUZFFNFCPCA-INIZCTEOSA-N 0 3 398.467 0.439 20 0 GCADHN COCCOc1ccccc1N1CCN(CCC(=O)N2CCN(C)CC2)CC1 ZINC000514091832 1194849590 /nfs/dbraw/zinc/84/95/90/1194849590.db2.gz YOEVTBFKQPHJTI-UHFFFAOYSA-N 0 3 390.528 0.998 20 0 GCADHN CN(CCCCCO)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000434671581 1194859336 /nfs/dbraw/zinc/85/93/36/1194859336.db2.gz INCZLZFNXINZOM-UHFFFAOYSA-N 0 3 397.541 0.755 20 0 GCADHN C[C@@H]1CN(CCN(C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000434696237 1194860411 /nfs/dbraw/zinc/86/04/11/1194860411.db2.gz XQAIOAHPELJETM-OWCLPIDISA-N 0 3 375.469 0.685 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000434712327 1194861906 /nfs/dbraw/zinc/86/19/06/1194861906.db2.gz UYHOGBJOJQQINP-LSDHHAIUSA-N 0 3 381.498 0.838 20 0 GCADHN COc1cccc(COC[C@@H](O)CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)c1 ZINC000434718222 1194863664 /nfs/dbraw/zinc/86/36/64/1194863664.db2.gz OSRUDOXECXRQII-AZUAARDMSA-N 0 3 392.496 0.924 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000434842089 1194873434 /nfs/dbraw/zinc/87/34/34/1194873434.db2.gz OCZBWGPIYQTSHO-UHFFFAOYSA-N 0 3 395.426 0.251 20 0 GCADHN CCOC(=O)c1cccc(OC[C@H](O)CN2CCN(C[C@@H](C)O)C[C@H]2C)c1 ZINC000282024073 1194875717 /nfs/dbraw/zinc/87/57/17/1194875717.db2.gz KKZXJVQCIPETKK-JFIYKMOQSA-N 0 3 380.485 0.990 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cc([C@H]3CCCO3)nn2C)CCSC1 ZINC000434925285 1194876954 /nfs/dbraw/zinc/87/69/54/1194876954.db2.gz LVNKATIPRFVYRV-CXAGYDPISA-N 0 3 381.502 0.764 20 0 GCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000414860099 1194879645 /nfs/dbraw/zinc/87/96/45/1194879645.db2.gz CJYFUKLRMGPVGF-DOMZBBRYSA-N 0 3 392.456 0.753 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CCN1Cc1ccccc1 ZINC000366610901 1194879689 /nfs/dbraw/zinc/87/96/89/1194879689.db2.gz YGMJQSHOIUUNPD-PBHICJAKSA-N 0 3 391.497 0.478 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000664462761 1194882743 /nfs/dbraw/zinc/88/27/43/1194882743.db2.gz ONTMQFYHJWSGMG-OAHLLOKOSA-N 0 3 378.473 0.878 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCNC(=O)c1ccco1 ZINC000514549176 1194883131 /nfs/dbraw/zinc/88/31/31/1194883131.db2.gz LMZVWBASXZFBQF-UHFFFAOYSA-N 0 3 388.424 0.835 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000664464820 1194884283 /nfs/dbraw/zinc/88/42/83/1194884283.db2.gz YASWPIQOPBUCSZ-INIZCTEOSA-N 0 3 381.521 0.581 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000664464821 1194884446 /nfs/dbraw/zinc/88/44/46/1194884446.db2.gz YASWPIQOPBUCSZ-MRXNPFEDSA-N 0 3 381.521 0.581 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000435047887 1194885102 /nfs/dbraw/zinc/88/51/02/1194885102.db2.gz JZAIADDBXAJBAX-MRXNPFEDSA-N 0 3 390.532 0.698 20 0 GCADHN CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000514607348 1194887409 /nfs/dbraw/zinc/88/74/09/1194887409.db2.gz VBWSTBRLKJKZOQ-CQSZACIVSA-N 0 3 384.502 0.919 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000514616404 1194888139 /nfs/dbraw/zinc/88/81/39/1194888139.db2.gz OSJIDARKVKWQRO-MWLCHTKSSA-N 0 3 386.330 0.136 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000514622461 1194888702 /nfs/dbraw/zinc/88/87/02/1194888702.db2.gz ZBIZAHVLPJZEIB-ULQDDVLXSA-N 0 3 381.498 0.281 20 0 GCADHN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@H]1CCC(=O)NC12CCC2 ZINC000282669646 1194889275 /nfs/dbraw/zinc/88/92/75/1194889275.db2.gz CDUJLJQDFGZXMX-INIZCTEOSA-N 0 3 388.468 0.849 20 0 GCADHN CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000435187034 1194896392 /nfs/dbraw/zinc/89/63/92/1194896392.db2.gz HFDYOGXROBGQOF-CJNGLKHVSA-N 0 3 380.489 0.570 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000283035539 1194899796 /nfs/dbraw/zinc/89/97/96/1194899796.db2.gz CLTSEPVDELSHPB-UHFFFAOYSA-N 0 3 388.512 0.872 20 0 GCADHN CN(C)CCN(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000505638558 1194904420 /nfs/dbraw/zinc/90/44/20/1194904420.db2.gz SWFVCUHJQJUOKR-UHFFFAOYSA-N 0 3 396.513 0.219 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C(F)(F)F)[nH]2)CC1=O ZINC000425312290 1194906132 /nfs/dbraw/zinc/90/61/32/1194906132.db2.gz GKAMKLXHMWHNED-LLVKDONJSA-N 0 3 376.379 0.942 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc3c(cn2)OCCC3)CC1=O ZINC000425311016 1194906377 /nfs/dbraw/zinc/90/63/77/1194906377.db2.gz FKCNLUSWMLNZEC-HNNXBMFYSA-N 0 3 376.457 0.316 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(-c3ccccn3)no2)CC1=O ZINC000425313759 1194906955 /nfs/dbraw/zinc/90/69/55/1194906955.db2.gz IVLZCEIZIXOHHK-CQSZACIVSA-N 0 3 387.440 0.646 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnn(-c3ccncc3)c2)CC1=O ZINC000425316724 1194908527 /nfs/dbraw/zinc/90/85/27/1194908527.db2.gz LXIQWHAHDQRKGD-INIZCTEOSA-N 0 3 386.456 0.176 20 0 GCADHN CCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000514784316 1194908573 /nfs/dbraw/zinc/90/85/73/1194908573.db2.gz AZFRHEDRPWPHMA-DOMZBBRYSA-N 0 3 376.457 0.881 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2Cc3ccccc3S2)CC1=O ZINC000425318367 1194910239 /nfs/dbraw/zinc/91/02/39/1194910239.db2.gz OMJXRYJFCPANAD-DOTOQJQBSA-N 0 3 377.510 0.999 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC1=O ZINC000425318355 1194910247 /nfs/dbraw/zinc/91/02/47/1194910247.db2.gz OJRXGVKSFCDHJF-BPQIPLTHSA-N 0 3 375.469 0.791 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@H]2COc3ccccc3O2)CC1=O ZINC000425320570 1194910575 /nfs/dbraw/zinc/91/05/75/1194910575.db2.gz RAVMHGBSIHAZQZ-CVEARBPZSA-N 0 3 391.468 0.512 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@@H]2COc3ccccc3O2)CC1=O ZINC000425320573 1194910725 /nfs/dbraw/zinc/91/07/25/1194910725.db2.gz RAVMHGBSIHAZQZ-JKSUJKDBSA-N 0 3 391.468 0.512 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)CC1=O ZINC000425315614 1194911321 /nfs/dbraw/zinc/91/13/21/1194911321.db2.gz KJEOZVXGWQDIRK-CQSZACIVSA-N 0 3 386.456 0.381 20 0 GCADHN CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)N[C@@H]2CCCN(C)[C@H]2C)C[C@H]1O ZINC000435283804 1194912541 /nfs/dbraw/zinc/91/25/41/1194912541.db2.gz BICUTBAWGSYSDX-LCGIIJARSA-N 0 3 380.493 0.437 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C)c2ccc3c(c2)OCO3)CC1=O ZINC000425322419 1194913348 /nfs/dbraw/zinc/91/33/48/1194913348.db2.gz TWGIFYHPFNEDPW-ZBFHGGJFSA-N 0 3 391.468 0.814 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cncc(OC(C)C)c2)CC1=O ZINC000425323775 1194914256 /nfs/dbraw/zinc/91/42/56/1194914256.db2.gz VJVQYYBCPXFGKB-INIZCTEOSA-N 0 3 378.473 0.778 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)CC1=O ZINC000425322863 1194914589 /nfs/dbraw/zinc/91/45/89/1194914589.db2.gz UFOXHKSJZQUHSU-CVEARBPZSA-N 0 3 377.489 0.049 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000514847613 1194920027 /nfs/dbraw/zinc/92/00/27/1194920027.db2.gz FNRCYWFZPNGFRY-HNNXBMFYSA-N 0 3 377.832 0.628 20 0 GCADHN COCC(C)(C)N1CCN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000425358178 1194925857 /nfs/dbraw/zinc/92/58/57/1194925857.db2.gz ZRASNXGDPBZEDB-SFHVURJKSA-N 0 3 384.546 0.959 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000514927763 1194929884 /nfs/dbraw/zinc/92/98/84/1194929884.db2.gz MTNCIAQEUAFKOW-HUUCEWRRSA-N 0 3 382.505 0.119 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)cs1 ZINC000425376522 1194930442 /nfs/dbraw/zinc/93/04/42/1194930442.db2.gz XAFDMFJRIYBFTE-DOTOQJQBSA-N 0 3 391.541 0.648 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000425378761 1194931148 /nfs/dbraw/zinc/93/11/48/1194931148.db2.gz CIDGIJGQAXNZKQ-QGZVFWFLSA-N 0 3 380.533 0.642 20 0 GCADHN CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000514962673 1194932076 /nfs/dbraw/zinc/93/20/76/1194932076.db2.gz QGAAJMJXNBQPHB-ZTFGCOKTSA-N 0 3 397.541 0.486 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC(C)(C)O[C@@]4(CCCOC4)C3)[C@@H]2C1 ZINC000425379279 1194933218 /nfs/dbraw/zinc/93/32/18/1194933218.db2.gz AKACIKBHIJTUPB-YRNRMSPPSA-N 0 3 379.501 0.726 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N3CCSC(C)(C)C3)C2)CC1 ZINC000514999922 1194936120 /nfs/dbraw/zinc/93/61/20/1194936120.db2.gz LXYCNGUKIRZREY-INIZCTEOSA-N 0 3 382.574 0.967 20 0 GCADHN Cc1nc(N2CCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)sc1C ZINC000425391207 1194940519 /nfs/dbraw/zinc/94/05/19/1194940519.db2.gz RXODFGMNYFVZCS-JKSUJKDBSA-N 0 3 391.541 0.961 20 0 GCADHN CNC(=O)CNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435526958 1194940695 /nfs/dbraw/zinc/94/06/95/1194940695.db2.gz JYMQNJAHYOCQTF-OAHLLOKOSA-N 0 3 384.440 0.131 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCCN(c4nccs4)CC3)[C@@H]2C1 ZINC000425393589 1194942646 /nfs/dbraw/zinc/94/26/46/1194942646.db2.gz VBJHBTZSTAWUIN-LSDHHAIUSA-N 0 3 377.514 0.734 20 0 GCADHN O=C(CCNC(=O)N1CCc2ccccc2C1)NC[C@]1(O)CN2CCC1CC2 ZINC000515070651 1194945814 /nfs/dbraw/zinc/94/58/14/1194945814.db2.gz IIPCLOYRNMDNCO-NRFANRHFSA-N 0 3 386.496 0.717 20 0 GCADHN CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425396311 1194947886 /nfs/dbraw/zinc/94/78/86/1194947886.db2.gz YMQSDQDCRIRCBN-IXDOHACOSA-N 0 3 378.517 0.694 20 0 GCADHN CN(C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21)[C@H]1CCN(c2ccccc2)C1=O ZINC000425397024 1194948602 /nfs/dbraw/zinc/94/86/02/1194948602.db2.gz ZVGLXFIQMDDHQE-RYQLBKOJSA-N 0 3 384.480 0.803 20 0 GCADHN CC(=O)N[C@@H](CC(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C(N)=O ZINC000435637876 1194948857 /nfs/dbraw/zinc/94/88/57/1194948857.db2.gz QHQFFJFHTUMEPQ-SJORKVTESA-N 0 3 398.467 0.649 20 0 GCADHN Cc1nc(CN2CCC(CNC(=O)C(=O)NCCN(C)C3CC3)CC2)oc1C ZINC000284420248 1194955869 /nfs/dbraw/zinc/95/58/69/1194955869.db2.gz CGNMNLVTPWQSBP-UHFFFAOYSA-N 0 3 391.516 0.830 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425404675 1194956186 /nfs/dbraw/zinc/95/61/86/1194956186.db2.gz PUBYROYMPVTLHC-SJORKVTESA-N 0 3 380.533 0.641 20 0 GCADHN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425404275 1194959119 /nfs/dbraw/zinc/95/91/19/1194959119.db2.gz POVWPKZPTOPADJ-KCITZHQASA-N 0 3 389.496 0.310 20 0 GCADHN C[C@H](O)CN(C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@@H](C)CO ZINC000425404282 1194959144 /nfs/dbraw/zinc/95/91/44/1194959144.db2.gz POVWPKZPTOPADJ-PBWTXFEYSA-N 0 3 389.496 0.310 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C[C@@H](CO)O1 ZINC000425406937 1194963322 /nfs/dbraw/zinc/96/33/22/1194963322.db2.gz UQZQHEMAXUABCQ-DSLXNQLJSA-N 0 3 387.480 0.328 20 0 GCADHN C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435834051 1194967115 /nfs/dbraw/zinc/96/71/15/1194967115.db2.gz IAWBPCJUQWKWJC-ZBFHGGJFSA-N 0 3 398.467 0.649 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1Cl ZINC000515312335 1194967912 /nfs/dbraw/zinc/96/79/12/1194967912.db2.gz KVQZVPYXGJRHTI-IUODEOHRSA-N 0 3 392.887 0.504 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)[C@H](O)c1cccc(Cl)c1)C2 ZINC001270027105 1194973377 /nfs/dbraw/zinc/97/33/77/1194973377.db2.gz ADBPWKOXDLLZFL-MRXNPFEDSA-N 0 3 381.860 0.375 20 0 GCADHN C[C@H](CO)N1CCCN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000425437786 1194978384 /nfs/dbraw/zinc/97/83/84/1194978384.db2.gz BQDFKSTYJCNBOE-OAHLLOKOSA-N 0 3 383.514 0.095 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1F ZINC000515533020 1194981871 /nfs/dbraw/zinc/98/18/71/1194981871.db2.gz MGYOOUXHOBNIHN-UHFFFAOYSA-N 0 3 390.459 0.517 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000425469799 1194986642 /nfs/dbraw/zinc/98/66/42/1194986642.db2.gz SQQWZUVFQZTVGU-JKSUJKDBSA-N 0 3 377.493 0.567 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000425472707 1194987842 /nfs/dbraw/zinc/98/78/42/1194987842.db2.gz IFTQMMMCRIEENF-RTBURBONSA-N 0 3 396.509 0.616 20 0 GCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000515704084 1194992289 /nfs/dbraw/zinc/99/22/89/1194992289.db2.gz LEEZSYUPMSNSDA-HNNXBMFYSA-N 0 3 399.561 0.761 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000515817391 1194999221 /nfs/dbraw/zinc/99/92/21/1194999221.db2.gz PRFCVXMMWOXRNR-IXDOHACOSA-N 0 3 396.532 0.055 20 0 GCADHN CCN1CCN(c2cccc(N3C(=O)[C@H]4CS(=O)(=O)CCN4C3=O)c2)CC1 ZINC000286510735 1195004644 /nfs/dbraw/zinc/00/46/44/1195004644.db2.gz XPZVTCNCTYUPKW-MRXNPFEDSA-N 0 3 392.481 0.394 20 0 GCADHN COc1cc(CNC(=O)CN2CC[C@H](c3nc[nH]n3)C2)cc(OC)c1OC ZINC000425550946 1195006581 /nfs/dbraw/zinc/00/65/81/1195006581.db2.gz PUGODVMPYYNESA-ZDUSSCGKSA-N 0 3 375.429 0.936 20 0 GCADHN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425553458 1195008219 /nfs/dbraw/zinc/00/82/19/1195008219.db2.gz UNBKFUHAGOTIFQ-GUYCJALGSA-N 0 3 396.451 0.976 20 0 GCADHN O=C(CNC[C@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCC1CCC1 ZINC001270098756 1195014179 /nfs/dbraw/zinc/01/41/79/1195014179.db2.gz VZVDSTQKMYKIQO-MJQMVNBJSA-N 0 3 379.501 0.535 20 0 GCADHN C[NH+](C)C1(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCOCC1 ZINC000436567469 1195016495 /nfs/dbraw/zinc/01/64/95/1195016495.db2.gz STAJNJOQNMHNHQ-UHFFFAOYSA-N 0 3 390.484 0.970 20 0 GCADHN CC(C)(C)c1nc2cc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)ccc2o1 ZINC000516091014 1195021583 /nfs/dbraw/zinc/02/15/83/1195021583.db2.gz ALONGWHDWUMLBC-CHWSQXEVSA-N 0 3 399.451 0.834 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000505858368 1195023365 /nfs/dbraw/zinc/02/33/65/1195023365.db2.gz ZFSCBOOVRZKIME-ZOWXZIJZSA-N 0 3 383.518 0.636 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)N(C)Cc1ccccc1 ZINC000287301672 1195025148 /nfs/dbraw/zinc/02/51/48/1195025148.db2.gz KNYHNONLDFBJBU-DOTOQJQBSA-N 0 3 389.500 0.530 20 0 GCADHN C[C@@H]1CN(Cc2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2)C[C@H](C)O1 ZINC000516194672 1195030434 /nfs/dbraw/zinc/03/04/34/1195030434.db2.gz RASQQLXLOTWHKI-QGWWYQLQSA-N 0 3 386.496 0.680 20 0 GCADHN COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)N(C)C ZINC000516198042 1195030973 /nfs/dbraw/zinc/03/09/73/1195030973.db2.gz XBAQRWDMQBSTDN-QGZVFWFLSA-N 0 3 376.501 0.967 20 0 GCADHN Cc1cc(-c2ncccc2NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cs1 ZINC000516195219 1195031410 /nfs/dbraw/zinc/03/14/10/1195031410.db2.gz POLCGPPFVGHZJJ-KGLIPLIRSA-N 0 3 399.476 0.827 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000505875104 1195032591 /nfs/dbraw/zinc/03/25/91/1195032591.db2.gz RTIBEJOJJXFTFS-NEPJUHHUSA-N 0 3 384.502 0.901 20 0 GCADHN O=C(NCCC1CCN([C@H]2CCCNC2=O)CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001270130694 1195038335 /nfs/dbraw/zinc/03/83/35/1195038335.db2.gz DVEIUEFIGPBMPV-XLAORIBOSA-N 0 3 379.501 0.535 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Cl ZINC000516316056 1195042290 /nfs/dbraw/zinc/04/22/90/1195042290.db2.gz ZFZKEUOVABFEHV-GXTWGEPZSA-N 0 3 394.859 0.836 20 0 GCADHN CN1CCN(CCCCNC(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1 ZINC000516383723 1195047468 /nfs/dbraw/zinc/04/74/68/1195047468.db2.gz JBESRVDAAPGGOM-UHFFFAOYSA-N 0 3 382.468 0.933 20 0 GCADHN Cc1[nH]ncc1CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000505907197 1195050648 /nfs/dbraw/zinc/05/06/48/1195050648.db2.gz KUEXQTILSXKHAZ-UHFFFAOYSA-N 0 3 378.454 0.996 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)nn1C)CN1CCN(C)CC1 ZINC000664595242 1195052835 /nfs/dbraw/zinc/05/28/35/1195052835.db2.gz NRJSCRPVKKEIAV-LLVKDONJSA-N 0 3 390.410 0.377 20 0 GCADHN C[C@@H](Sc1ncccc1C(=O)NCCN(C)CCO)C(=O)N1CCCC1 ZINC000925015185 1195053493 /nfs/dbraw/zinc/05/34/93/1195053493.db2.gz IKRWTWBACIRDGV-CQSZACIVSA-N 0 3 380.514 0.839 20 0 GCADHN O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436991618 1195054703 /nfs/dbraw/zinc/05/47/03/1195054703.db2.gz RTELFTBLLOABDN-CQSZACIVSA-N 0 3 384.440 0.506 20 0 GCADHN COCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)ccc21 ZINC000288314738 1195056339 /nfs/dbraw/zinc/05/63/39/1195056339.db2.gz XCXOJJHVFIRUEN-ZDUSSCGKSA-N 0 3 376.457 0.617 20 0 GCADHN C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)[C@@H](c1ccccc1)N(C)C ZINC000516574285 1195069543 /nfs/dbraw/zinc/06/95/43/1195069543.db2.gz KBSBNPBQSJDTIL-ZFWWWQNUSA-N 0 3 385.472 0.712 20 0 GCADHN CCOC(=O)Cn1cnc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)n1 ZINC000425725205 1195074153 /nfs/dbraw/zinc/07/41/53/1195074153.db2.gz GWZXFZHMXVCQFO-UHFFFAOYSA-N 0 3 392.435 1.576 20 0 GCADHN CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000516661615 1195079175 /nfs/dbraw/zinc/07/91/75/1195079175.db2.gz MZDMSTYLEHFEFB-HOTGVXAUSA-N 0 3 385.486 0.349 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000516669126 1195081312 /nfs/dbraw/zinc/08/13/12/1195081312.db2.gz MHMLFPCFPQZRIW-UHFFFAOYSA-N 0 3 386.378 0.873 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2CC)C1=O ZINC000289263749 1195090097 /nfs/dbraw/zinc/09/00/97/1195090097.db2.gz CEJSJUVLQUDETB-GJZGRUSLSA-N 0 3 390.488 0.115 20 0 GCADHN C[C@@H](O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000506017215 1195091099 /nfs/dbraw/zinc/09/10/99/1195091099.db2.gz KGAAHLDFXDJLAF-HZPDHXFCSA-N 0 3 381.498 0.222 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000516761667 1195094367 /nfs/dbraw/zinc/09/43/67/1195094367.db2.gz KVURWQUREBBRLE-JSGCOSHPSA-N 0 3 390.358 0.966 20 0 GCADHN CN1CCN(CCCCNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000516840880 1195104247 /nfs/dbraw/zinc/10/42/47/1195104247.db2.gz QMZYCIJBPQAGIQ-UHFFFAOYSA-N 0 3 387.484 0.496 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000516888509 1195109225 /nfs/dbraw/zinc/10/92/25/1195109225.db2.gz YZOZTDQEBVBOPT-MRXNPFEDSA-N 0 3 394.491 0.947 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000516928924 1195111846 /nfs/dbraw/zinc/11/18/46/1195111846.db2.gz JZODNBWQMSCLTJ-ZDUSSCGKSA-N 0 3 394.497 0.690 20 0 GCADHN C[C@H](O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000506055534 1195113591 /nfs/dbraw/zinc/11/35/91/1195113591.db2.gz FDZCPDMWMUXLDO-WMZOPIPTSA-N 0 3 395.525 0.363 20 0 GCADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC000516932248 1195114540 /nfs/dbraw/zinc/11/45/40/1195114540.db2.gz HIUISZJLWKVDAX-MRXNPFEDSA-N 0 3 377.489 0.003 20 0 GCADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC000516932247 1195114730 /nfs/dbraw/zinc/11/47/30/1195114730.db2.gz HIUISZJLWKVDAX-INIZCTEOSA-N 0 3 377.489 0.003 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3CS(C)(=O)=O)[C@@H]2C1 ZINC000425818300 1195118604 /nfs/dbraw/zinc/11/86/04/1195118604.db2.gz JBMBXQPCQJSZPO-BLLLJJGKSA-N 0 3 397.472 0.861 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cn1 ZINC000437521995 1195119884 /nfs/dbraw/zinc/11/98/84/1195119884.db2.gz HAGORPHNADZJHP-MRXNPFEDSA-N 0 3 390.488 0.387 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3CS(C)(=O)=O)[C@@H]2C1 ZINC000425819835 1195120002 /nfs/dbraw/zinc/12/00/02/1195120002.db2.gz MGICZPNWVMGKEI-XJKSGUPXSA-N 0 3 379.482 0.722 20 0 GCADHN CN(c1ccccc1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21)S(C)(=O)=O ZINC000425818250 1195120343 /nfs/dbraw/zinc/12/03/43/1195120343.db2.gz IYLFMMYEPDNEQK-XJKSGUPXSA-N 0 3 394.497 0.574 20 0 GCADHN CN1CCN(CCCN2C[C@@]3(F)CN(C(=O)CCF)C[C@@]3(F)C2=O)CC1 ZINC001270232648 1195123301 /nfs/dbraw/zinc/12/33/01/1195123301.db2.gz OBTVEIHNIYEZDA-IAGOWNOFSA-N 0 3 376.423 0.085 20 0 GCADHN CC1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2)CC1 ZINC000517041526 1195128772 /nfs/dbraw/zinc/12/87/72/1195128772.db2.gz BDNIEUQTXXMDKN-QZTJIDSGSA-N 0 3 399.495 0.632 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@@H](C)O1 ZINC000517058236 1195130653 /nfs/dbraw/zinc/13/06/53/1195130653.db2.gz FZELJKSZRKEJKK-BRWVUGGUSA-N 0 3 382.549 0.839 20 0 GCADHN CS(=O)(=O)CCCCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425837248 1195133020 /nfs/dbraw/zinc/13/30/20/1195133020.db2.gz KHKARNZGHPMHHR-GOSISDBHSA-N 0 3 383.514 0.747 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000425864086 1195140127 /nfs/dbraw/zinc/14/01/27/1195140127.db2.gz AZCKRVARFCBGFV-GOSISDBHSA-N 0 3 386.562 0.109 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000425870423 1195142877 /nfs/dbraw/zinc/14/28/77/1195142877.db2.gz WGZNJOYLCHGNIZ-SFHVURJKSA-N 0 3 390.528 0.975 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)sc2nc3n(c(=O)c12)CCC3 ZINC000517176761 1195147201 /nfs/dbraw/zinc/14/72/01/1195147201.db2.gz 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CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000425900159 1195157310 /nfs/dbraw/zinc/15/73/10/1195157310.db2.gz DODKJQYJPHUZDQ-CQSZACIVSA-N 0 3 380.514 0.623 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)o1 ZINC000425901112 1195157982 /nfs/dbraw/zinc/15/79/82/1195157982.db2.gz GDBNFDDSPZFQLY-OAHLLOKOSA-N 0 3 378.473 0.463 20 0 GCADHN CCCn1c2ccccc2n(CCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1=O ZINC000517246936 1195162968 /nfs/dbraw/zinc/16/29/68/1195162968.db2.gz DJJAELITQWDVLU-LSDHHAIUSA-N 0 3 385.468 0.374 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC3([S@@](C)=O)CC3)CC2)C[C@H](C)O1 ZINC000517264123 1195164017 /nfs/dbraw/zinc/16/40/17/1195164017.db2.gz OIWVGJXAEUGDSH-CLTPODQCSA-N 0 3 399.557 0.362 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](C(N)=O)C3)cc2)CC1 ZINC000517277529 1195167792 /nfs/dbraw/zinc/16/77/92/1195167792.db2.gz GRHKBNCXWAGHAT-INIZCTEOSA-N 0 3 387.484 0.096 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000414915869 1195169301 /nfs/dbraw/zinc/16/93/01/1195169301.db2.gz NIQWNEQQYJGXHR-RISCZKNCSA-N 0 3 375.429 0.973 20 0 GCADHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000517401407 1195176921 /nfs/dbraw/zinc/17/69/21/1195176921.db2.gz LKOXQSNFEMLODE-NSHDSACASA-N 0 3 398.514 0.758 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC([C@@H](O)C(=O)OC)CC2)CC1 ZINC000437972261 1195177326 /nfs/dbraw/zinc/17/73/26/1195177326.db2.gz AWJZNZXFKLDUBZ-NVXWUHKLSA-N 0 3 384.521 0.216 20 0 GCADHN CC(C)Oc1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1C(N)=O ZINC000517395658 1195178611 /nfs/dbraw/zinc/17/86/11/1195178611.db2.gz MABKIRKIOIVECO-JSGCOSHPSA-N 0 3 375.429 0.348 20 0 GCADHN CC(C)Oc1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1C(N)=O ZINC000517395660 1195178614 /nfs/dbraw/zinc/17/86/14/1195178614.db2.gz MABKIRKIOIVECO-TZMCWYRMSA-N 0 3 375.429 0.348 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3nn(-c4ccccc4F)c4c3CCC4)CCN2C1=O ZINC000517395947 1195178710 /nfs/dbraw/zinc/17/87/10/1195178710.db2.gz WGENMIGAKKAYKA-SWLSCSKDSA-N 0 3 383.427 0.884 20 0 GCADHN COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)n1 ZINC000425941574 1195181665 /nfs/dbraw/zinc/18/16/65/1195181665.db2.gz ZXIHJNPPADCMDG-DOTOQJQBSA-N 0 3 387.484 1.318 20 0 GCADHN Cc1nccn1CCCN(C)C(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000517536737 1195189079 /nfs/dbraw/zinc/18/90/79/1195189079.db2.gz OMZXTROUWMYFCD-QGZVFWFLSA-N 0 3 379.505 0.513 20 0 GCADHN O=C(c1cccc(CN2CCCC2)c1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000517564540 1195193436 /nfs/dbraw/zinc/19/34/36/1195193436.db2.gz DWLKEJBWOQIMMA-UHFFFAOYSA-N 0 3 392.525 0.342 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000517627130 1195198847 /nfs/dbraw/zinc/19/88/47/1195198847.db2.gz NWYBZCIYBXRDHO-SJORKVTESA-N 0 3 381.517 0.877 20 0 GCADHN Cc1n[nH]cc1CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000425990838 1195211302 /nfs/dbraw/zinc/21/13/02/1195211302.db2.gz PICYZMCFODVMQJ-UHFFFAOYSA-N 0 3 386.412 0.443 20 0 GCADHN CCN1C(=O)CC[C@H](C(=O)NC[C@]2(O)CN3CCC2CC3)[C@H]1c1cnn(C)c1 ZINC000517757036 1195213363 /nfs/dbraw/zinc/21/33/63/1195213363.db2.gz OORHLEMGIJNLNV-HQRMLTQVSA-N 0 3 389.500 0.293 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCN(C(=O)Cc3csc(NC=O)n3)C2)C1=O ZINC001270349564 1195219578 /nfs/dbraw/zinc/21/95/78/1195219578.db2.gz KGANUBCCTLNPSB-KRWDZBQOSA-N 0 3 379.486 0.267 20 0 GCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000517819236 1195220594 /nfs/dbraw/zinc/22/05/94/1195220594.db2.gz RDXIRMYVRSYUMU-KBPBESRZSA-N 0 3 376.457 0.726 20 0 GCADHN Cc1ccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1S(N)(=O)=O ZINC000438507876 1195223180 /nfs/dbraw/zinc/22/31/80/1195223180.db2.gz KVEIDUPWMZOSDZ-ZDUSSCGKSA-N 0 3 383.518 0.647 20 0 GCADHN CCOC(=O)[C@H](C)N1C[C@@]2(F)CN(C(=O)CN(CC)CC)C[C@@]2(F)C1=O ZINC001270358409 1195225536 /nfs/dbraw/zinc/22/55/36/1195225536.db2.gz LOQHHXGWHVULMN-AFAVFJNCSA-N 0 3 375.416 0.381 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000517873781 1195225561 /nfs/dbraw/zinc/22/55/61/1195225561.db2.gz GZANBBCHDQERII-KRWDZBQOSA-N 0 3 388.468 0.921 20 0 GCADHN CCN1CCN(CCCNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000518047409 1195243871 /nfs/dbraw/zinc/24/38/71/1195243871.db2.gz DIYSFXPHPORSJX-UHFFFAOYSA-N 0 3 387.484 0.636 20 0 GCADHN CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000438742496 1195244885 /nfs/dbraw/zinc/24/48/85/1195244885.db2.gz DJJUUWCNBGFEFG-UHFFFAOYSA-N 0 3 392.456 0.905 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)[C@H](NS(C)(=O)=O)[C@@H](C)CC ZINC000426146749 1195246972 /nfs/dbraw/zinc/24/69/72/1195246972.db2.gz YRAZTDPRXUFLNE-DLBZAZTESA-N 0 3 390.594 0.826 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)[C@H](NS(C)(=O)=O)[C@H](C)CC ZINC000426146750 1195247002 /nfs/dbraw/zinc/24/70/02/1195247002.db2.gz YRAZTDPRXUFLNE-IAGOWNOFSA-N 0 3 390.594 0.826 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000664720644 1195257392 /nfs/dbraw/zinc/25/73/92/1195257392.db2.gz XMAYUWQTGNBHCA-UHFFFAOYSA-N 0 3 395.470 0.922 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)Cc2ccccc2C1 ZINC000506402557 1195258870 /nfs/dbraw/zinc/25/88/70/1195258870.db2.gz BWQUCGPLCBUMPE-NRFANRHFSA-N 0 3 398.507 0.331 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)NC[C@H]2CCCc3ccccc32)CC1=O ZINC000653373752 1195264979 /nfs/dbraw/zinc/26/49/79/1195264979.db2.gz SUUQGUKWGLVGPK-QGZVFWFLSA-N 0 3 386.496 0.455 20 0 GCADHN COCCN(C)C[C@H](O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000518217400 1195268525 /nfs/dbraw/zinc/26/85/25/1195268525.db2.gz QWAHDVOBBMUFHS-LIRRHRJNSA-N 0 3 393.440 0.207 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(F)cc1F ZINC000518218857 1195268730 /nfs/dbraw/zinc/26/87/30/1195268730.db2.gz SJJHBPYFMORWFZ-DFBGVHRSSA-N 0 3 380.395 0.303 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000439064224 1195281369 /nfs/dbraw/zinc/28/13/69/1195281369.db2.gz KZFRKVLAZDLNFN-UHFFFAOYSA-N 0 3 390.550 0.457 20 0 GCADHN O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000518346132 1195282657 /nfs/dbraw/zinc/28/26/57/1195282657.db2.gz RQHDDWQKHBBRIH-INIZCTEOSA-N 0 3 380.876 0.725 20 0 GCADHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000518398121 1195286735 /nfs/dbraw/zinc/28/67/35/1195286735.db2.gz NQXVLGOBNQWEAX-IPYPFGDCSA-N 0 3 384.436 0.689 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000518415347 1195289306 /nfs/dbraw/zinc/28/93/06/1195289306.db2.gz URZMVRLLOQYUFK-UHFFFAOYSA-N 0 3 399.451 0.898 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000439198431 1195295270 /nfs/dbraw/zinc/29/52/70/1195295270.db2.gz LHKSBVDQSDUDFZ-UHFFFAOYSA-N 0 3 382.486 0.941 20 0 GCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000439205617 1195296374 /nfs/dbraw/zinc/29/63/74/1195296374.db2.gz NZUIFOZXYJEAIG-UHFFFAOYSA-N 0 3 376.457 0.890 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000439219020 1195296889 /nfs/dbraw/zinc/29/68/89/1195296889.db2.gz YAHITZYODKXRQS-UHFFFAOYSA-N 0 3 386.452 0.828 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000439208891 1195296995 /nfs/dbraw/zinc/29/69/95/1195296995.db2.gz YKYIOKQJHMYYGU-UHFFFAOYSA-N 0 3 385.461 0.863 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC000439212652 1195297539 /nfs/dbraw/zinc/29/75/39/1195297539.db2.gz TUFZZNBTBIINEP-UHFFFAOYSA-N 0 3 382.486 0.430 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCc3cc4c(cc3OC(F)F)OCO4)CCN2C1=O ZINC000518565883 1195302498 /nfs/dbraw/zinc/30/24/98/1195302498.db2.gz QTQXFROXRKOMNX-QWRGUYRKSA-N 0 3 398.366 0.470 20 0 GCADHN CCC(CC)Nc1ccncc1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000518561132 1195303955 /nfs/dbraw/zinc/30/39/55/1195303955.db2.gz HBWYETBLROGBHX-UHFFFAOYSA-N 0 3 383.518 0.620 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCC(O)(CO)CC1 ZINC000664750060 1195316824 /nfs/dbraw/zinc/31/68/24/1195316824.db2.gz QZDRPLKAGPUPKD-GOSISDBHSA-N 0 3 377.485 0.806 20 0 GCADHN CN(C)CCN1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1=O ZINC000894383559 1195327250 /nfs/dbraw/zinc/32/72/50/1195327250.db2.gz WDTBYPMRJRXTMQ-UHFFFAOYSA-N 0 3 380.456 0.480 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000653381139 1195331788 /nfs/dbraw/zinc/33/17/88/1195331788.db2.gz HBJMJTVPAQKBAT-UHFFFAOYSA-N 0 3 376.457 0.111 20 0 GCADHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3ccc4[nH]c(C(F)(F)F)nc4c3)CCN2C1=O ZINC000518796792 1195334303 /nfs/dbraw/zinc/33/43/03/1195334303.db2.gz AEEHINZEJDBNSK-WDEREUQCSA-N 0 3 396.373 0.764 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1c(F)cc(F)cc1F ZINC000439621785 1195336262 /nfs/dbraw/zinc/33/62/62/1195336262.db2.gz MKDXQZGEKREAQM-UHFFFAOYSA-N 0 3 377.363 0.442 20 0 GCADHN Cc1ccc2cccc(NC(=O)C(=O)N(CCOCCO)CCN(C)C)c2n1 ZINC000439614612 1195337408 /nfs/dbraw/zinc/33/74/08/1195337408.db2.gz PIGRPLAJDGBFGJ-UHFFFAOYSA-N 0 3 388.468 0.881 20 0 GCADHN COCCN(CCN(C)C)C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000426447763 1195338484 /nfs/dbraw/zinc/33/84/84/1195338484.db2.gz BYSQLQNCNGKZEL-LJQANCHMSA-N 0 3 382.505 0.914 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N(C)CCN(C)C3CC3)CC2)oc1C ZINC000297552190 1195340530 /nfs/dbraw/zinc/34/05/30/1195340530.db2.gz DGZIECWBHHZDAI-UHFFFAOYSA-N 0 3 377.489 0.488 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000518870715 1195341166 /nfs/dbraw/zinc/34/11/66/1195341166.db2.gz FXPOBLHJHCUXOQ-LBPRGKRZSA-N 0 3 390.440 0.572 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000439705190 1195343543 /nfs/dbraw/zinc/34/35/43/1195343543.db2.gz FGYBTOIUIOMLIH-QGZVFWFLSA-N 0 3 382.530 0.740 20 0 GCADHN CCn1ncc(NC(=O)C(=O)NCCN2CCN(CC)CC2)c1C(F)(F)F ZINC000439755273 1195348548 /nfs/dbraw/zinc/34/85/48/1195348548.db2.gz IPEDHTQIWGKEAG-UHFFFAOYSA-N 0 3 390.410 0.614 20 0 GCADHN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000439874973 1195362161 /nfs/dbraw/zinc/36/21/61/1195362161.db2.gz CJBPMYREGVUYSU-LPHOPBHVSA-N 0 3 376.457 0.793 20 0 GCADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000298261063 1195364212 /nfs/dbraw/zinc/36/42/12/1195364212.db2.gz FZGUFCVKUOQAJW-HXUWFJFHSA-N 0 3 392.475 0.701 20 0 GCADHN CC[C@H]1COC(C)(C)CN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000653388914 1195365002 /nfs/dbraw/zinc/36/50/02/1195365002.db2.gz OUSLVAVCVLWVHF-JKSUJKDBSA-N 0 3 396.532 0.461 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)C[C@@H]1O ZINC000519178878 1195376909 /nfs/dbraw/zinc/37/69/09/1195376909.db2.gz PXOVNESPICGGSF-RCJHGTSTSA-N 0 3 393.484 0.850 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000426563810 1195380238 /nfs/dbraw/zinc/38/02/38/1195380238.db2.gz YMPLNAVCMYWXCZ-UHFFFAOYSA-N 0 3 396.398 0.945 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cccc(F)c2C(=O)OC)CC1 ZINC000440094449 1195384255 /nfs/dbraw/zinc/38/42/55/1195384255.db2.gz VOIPXUOSVBSAMT-ZDUSSCGKSA-N 0 3 387.477 0.917 20 0 GCADHN CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)N(C)C)c2ccccc2O1 ZINC000298993689 1195387377 /nfs/dbraw/zinc/38/73/77/1195387377.db2.gz OLGRSARWDBZDQM-CZUORRHYSA-N 0 3 376.457 0.373 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@H]1CCOC1 ZINC000440174813 1195391211 /nfs/dbraw/zinc/39/12/11/1195391211.db2.gz KQYUYJNHPOKDIE-OLZOCXBDSA-N 0 3 390.440 0.636 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@@H]1CCOC1 ZINC000440174814 1195391280 /nfs/dbraw/zinc/39/12/80/1195391280.db2.gz KQYUYJNHPOKDIE-QWHCGFSZSA-N 0 3 390.440 0.636 20 0 GCADHN CCN1C(=O)c2ccc(C(=O)NC3CCN(CCOC)CC3)cc2S1(=O)=O ZINC000299259657 1195393680 /nfs/dbraw/zinc/39/36/80/1195393680.db2.gz UJIBWSOQIOVDHU-UHFFFAOYSA-N 0 3 395.481 0.692 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C)C[C@@H]3C)cc2)CC1 ZINC000440262363 1195396719 /nfs/dbraw/zinc/39/67/19/1195396719.db2.gz BTBAHHYULTXDME-KRWDZBQOSA-N 0 3 387.528 0.925 20 0 GCADHN COCCOc1cccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000440272899 1195399245 /nfs/dbraw/zinc/39/92/45/1195399245.db2.gz QHCGFTHDQWVDCW-UHFFFAOYSA-N 0 3 392.500 0.746 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000440271139 1195399401 /nfs/dbraw/zinc/39/94/01/1195399401.db2.gz NFVCGKCFHZYAKT-UHFFFAOYSA-N 0 3 389.500 0.471 20 0 GCADHN CC(C)n1nc2c(c1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)CCC2 ZINC000440282084 1195399779 /nfs/dbraw/zinc/39/97/79/1195399779.db2.gz ZGCPJUBOAHYHPT-UHFFFAOYSA-N 0 3 390.532 0.987 20 0 GCADHN CC(=O)Nc1cccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000440278186 1195400419 /nfs/dbraw/zinc/40/04/19/1195400419.db2.gz ZMBCZLJXPVSKDD-UHFFFAOYSA-N 0 3 375.473 0.679 20 0 GCADHN CCn1nc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1C1CC1 ZINC000440277763 1195400615 /nfs/dbraw/zinc/40/06/15/1195400615.db2.gz CJAHIJUBYLSGJE-UHFFFAOYSA-N 0 3 376.505 0.815 20 0 GCADHN CC[C@H](C)n1nc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1C ZINC000440287750 1195402025 /nfs/dbraw/zinc/40/20/25/1195402025.db2.gz VYJRUWWWMHENFU-HNNXBMFYSA-N 0 3 378.521 1.197 20 0 GCADHN C[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1nnc2n1CCC2 ZINC000519409610 1195403505 /nfs/dbraw/zinc/40/35/05/1195403505.db2.gz CDYABGRLFHBKGI-ZIAGYGMSSA-N 0 3 377.493 0.527 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000519419182 1195405097 /nfs/dbraw/zinc/40/50/97/1195405097.db2.gz GQFGDAUJENJYPU-CABCVRRESA-N 0 3 385.468 0.547 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 ZINC000519433510 1195408196 /nfs/dbraw/zinc/40/81/96/1195408196.db2.gz CBKDRSDNWPHUGV-UHFFFAOYSA-N 0 3 378.517 0.836 20 0 GCADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000550037567 1195422279 /nfs/dbraw/zinc/42/22/79/1195422279.db2.gz WABLTKWAIUKIRF-RCCFBDPRSA-N 0 3 377.485 0.586 20 0 GCADHN CCOc1ccc([C@@H]2CCN(CCCO)C[C@@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)cc1 ZINC001087471248 1195424342 /nfs/dbraw/zinc/42/43/42/1195424342.db2.gz VUBODIYTPRIQOJ-RDGPPVDQSA-N 0 3 389.496 0.863 20 0 GCADHN Cc1cc(NC(=O)CN[C@H](C2CC2)C(C)(C)CO)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000550101967 1195436070 /nfs/dbraw/zinc/43/60/70/1195436070.db2.gz FOUNLASZDRMKQN-RHSMWYFYSA-N 0 3 398.529 0.876 20 0 GCADHN Cc1cc(NC(=O)CN[C@H](C2CC2)C(C)(C)CO)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000550101968 1195436243 /nfs/dbraw/zinc/43/62/43/1195436243.db2.gz FOUNLASZDRMKQN-WMLDXEAASA-N 0 3 398.529 0.876 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000473672118 1195436674 /nfs/dbraw/zinc/43/66/74/1195436674.db2.gz ZWTJEFOUFYPFCK-OAHLLOKOSA-N 0 3 395.525 0.809 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000473698446 1195442741 /nfs/dbraw/zinc/44/27/41/1195442741.db2.gz OAOCYKYMYKOMQZ-UHFFFAOYSA-N 0 3 391.520 0.699 20 0 GCADHN NC(=O)CCN(C(=O)CN[C@H](C1CC1)[C@]1(CO)CCCO1)c1ccc(F)cc1 ZINC000550141611 1195447851 /nfs/dbraw/zinc/44/78/51/1195447851.db2.gz ZGALWSITCDDIDA-WOJBJXKFSA-N 0 3 393.459 0.944 20 0 GCADHN C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000894599497 1195450923 /nfs/dbraw/zinc/45/09/23/1195450923.db2.gz MUINSRWUXZKBOG-FZMZJTMJSA-N 0 3 388.440 0.589 20 0 GCADHN C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000894599497 1195450926 /nfs/dbraw/zinc/45/09/26/1195450926.db2.gz MUINSRWUXZKBOG-FZMZJTMJSA-N 0 3 388.440 0.589 20 0 GCADHN C[N@@H+]1C[C@@H]2CCN(C(=O)NCC[N-]S(=O)(=O)c3ccc(F)cc3F)[C@@H]2C1 ZINC000894599499 1195451052 /nfs/dbraw/zinc/45/10/52/1195451052.db2.gz MUINSRWUXZKBOG-SMDDNHRTSA-N 0 3 388.440 0.589 20 0 GCADHN C[N@H+]1C[C@@H]2CCN(C(=O)NCC[N-]S(=O)(=O)c3ccc(F)cc3F)[C@@H]2C1 ZINC000894599499 1195451053 /nfs/dbraw/zinc/45/10/53/1195451053.db2.gz MUINSRWUXZKBOG-SMDDNHRTSA-N 0 3 388.440 0.589 20 0 GCADHN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000550178947 1195454412 /nfs/dbraw/zinc/45/44/12/1195454412.db2.gz VRLLZHQRJBGEDU-SZMVWBNQSA-N 0 3 377.485 0.274 20 0 GCADHN CC(C)C(=O)N1CCC(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000101697505 1195455239 /nfs/dbraw/zinc/45/52/39/1195455239.db2.gz MSCQCSRIBCTNCX-KRWDZBQOSA-N 0 3 380.533 0.940 20 0 GCADHN CN(C)Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 ZINC000473761098 1195456157 /nfs/dbraw/zinc/45/61/57/1195456157.db2.gz ZGSPRMSMLGTIDD-UHFFFAOYSA-N 0 3 393.473 0.405 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)cn1 ZINC000550184791 1195456211 /nfs/dbraw/zinc/45/62/11/1195456211.db2.gz XWBKFWZCMNNVHM-UHFFFAOYSA-N 0 3 378.473 0.712 20 0 GCADHN C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000519566339 1195459106 /nfs/dbraw/zinc/45/91/06/1195459106.db2.gz UBYOVRFLWCDTIT-ALQUZDBKSA-N 0 3 395.525 0.277 20 0 GCADHN CN(CCNC(=O)C(=O)NCc1nnc2ccc(C(F)(F)F)cn21)C1CC1 ZINC000550241746 1195467864 /nfs/dbraw/zinc/46/78/64/1195467864.db2.gz KIQFTNIYCLHKAD-UHFFFAOYSA-N 0 3 384.362 0.575 20 0 GCADHN CCO[C@@H]1C[C@@](O)(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC000473810778 1195468205 /nfs/dbraw/zinc/46/82/05/1195468205.db2.gz OOUIEFITKSCTKX-JXXFODFXSA-N 0 3 398.548 0.794 20 0 GCADHN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894772834 1195469698 /nfs/dbraw/zinc/46/96/98/1195469698.db2.gz DZFWGDYJWIRAKZ-BZSNNMDCSA-N 0 3 393.532 0.907 20 0 GCADHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CNC(=O)C1 ZINC000440483600 1195485641 /nfs/dbraw/zinc/48/56/41/1195485641.db2.gz YXTMUXXEYPSNFU-CVEARBPZSA-N 0 3 396.451 0.273 20 0 GCADHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CNC(=O)C1 ZINC000440483608 1195485901 /nfs/dbraw/zinc/48/59/01/1195485901.db2.gz YXTMUXXEYPSNFU-JKSUJKDBSA-N 0 3 396.451 0.273 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000426935219 1195491802 /nfs/dbraw/zinc/49/18/02/1195491802.db2.gz BATFDKFDSYYFCJ-UHFFFAOYSA-N 0 3 398.485 0.096 20 0 GCADHN C[C@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@H]3CCCN3C)cn2)C[C@H](C)O1 ZINC000626418257 1195496460 /nfs/dbraw/zinc/49/64/60/1195496460.db2.gz BPVVKVRSRHLCFG-OFQRWUPVSA-N 0 3 378.477 0.735 20 0 GCADHN COc1ccc(CCNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1S(N)(=O)=O ZINC000507414634 1195518631 /nfs/dbraw/zinc/51/86/31/1195518631.db2.gz PSUMMZMJPCEPHW-TZMCWYRMSA-N 0 3 384.502 0.667 20 0 GCADHN CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000427320355 1195526758 /nfs/dbraw/zinc/52/67/58/1195526758.db2.gz LTSMIHDLXPZYFP-IBGZPJMESA-N 0 3 390.440 0.468 20 0 GCADHN O=C(CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCC1)NC[C@@H]1CCOC1 ZINC001270771532 1195535283 /nfs/dbraw/zinc/53/52/83/1195535283.db2.gz JIWHUHKMKVEJPL-FWCYYJLNSA-N 0 3 391.512 0.581 20 0 GCADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)c1ccc(Cl)nc1)C2 ZINC001270770848 1195537093 /nfs/dbraw/zinc/53/70/93/1195537093.db2.gz RKPDRHDPWRPKOH-GOSISDBHSA-N 0 3 380.876 0.988 20 0 GCADHN CC[C@@H](C)N[C@H](CNC(=O)N1CCN(S(=O)(=O)NC)CC1)c1ccco1 ZINC000664874677 1195538658 /nfs/dbraw/zinc/53/86/58/1195538658.db2.gz OHCUYWVOQSMXLN-ZIAGYGMSSA-N 0 3 387.506 0.500 20 0 GCADHN C[C@H](NCCOc1ccc(S(N)(=O)=O)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000280787250 1195550808 /nfs/dbraw/zinc/55/08/08/1195550808.db2.gz UCPZUVXPRGTIEU-LBPRGKRZSA-N 0 3 399.494 0.711 20 0 GCADHN O=S1(=O)C[C@H](NCCCc2ccc3c(c2)CCO3)[C@@H](N2CCOCC2)C1 ZINC000280785914 1195551057 /nfs/dbraw/zinc/55/10/57/1195551057.db2.gz HDFQSPCGRDAHRJ-ROUUACIJSA-N 0 3 380.510 0.642 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)C[C@@H]1O ZINC000664885578 1195551796 /nfs/dbraw/zinc/55/17/96/1195551796.db2.gz RADASYJIUTXGQJ-GJZGRUSLSA-N 0 3 383.880 0.589 20 0 GCADHN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)s1 ZINC000664897185 1195552976 /nfs/dbraw/zinc/55/29/76/1195552976.db2.gz XISSDHCKXLLKOE-BJDJZHNGSA-N 0 3 384.506 0.380 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000664912512 1195554549 /nfs/dbraw/zinc/55/45/49/1195554549.db2.gz ZOLSCRQMBVTPQI-RDJZCZTQSA-N 0 3 395.529 0.441 20 0 GCADHN C[C@@H](N1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC000519635858 1195560894 /nfs/dbraw/zinc/56/08/94/1195560894.db2.gz YQLKRKUUOYEALY-ZIAGYGMSSA-N 0 3 378.439 0.930 20 0 GCADHN C[C@@H](N1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1)C(F)(F)F ZINC000519635855 1195560933 /nfs/dbraw/zinc/56/09/33/1195560933.db2.gz YQLKRKUUOYEALY-UONOGXRCSA-N 0 3 378.439 0.930 20 0 GCADHN COC(=O)c1cc(S(N)(=O)=O)ccc1NCCN1CCN(C)C(C)(C)C1 ZINC000440645773 1195571373 /nfs/dbraw/zinc/57/13/73/1195571373.db2.gz DPFZOGCOGOINRS-UHFFFAOYSA-N 0 3 384.502 0.559 20 0 GCADHN CN1CCN(C2CCN(C(=O)Cc3csc(-c4nc[nH]n4)n3)CC2)CC1 ZINC001648956492 1195572225 /nfs/dbraw/zinc/57/22/25/1195572225.db2.gz NMBKSZPIKSFJAT-UHFFFAOYSA-N 0 3 375.502 0.709 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccnc(OC4CCOCC4)c3)CCN2C1=O ZINC000519835920 1195575264 /nfs/dbraw/zinc/57/52/64/1195575264.db2.gz ZDQZHYNEMRXLDI-GOEBONIOSA-N 0 3 389.456 0.093 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)nn1 ZINC000440780169 1195582000 /nfs/dbraw/zinc/58/20/00/1195582000.db2.gz IHIMFPSFSUIVIW-KRWDZBQOSA-N 0 3 386.456 0.915 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)c3cc(Cl)c[nH]c3=O)C2)OCC1=O ZINC001270819787 1195584159 /nfs/dbraw/zinc/58/41/59/1195584159.db2.gz BRSPGHMULHYKJC-KRWDZBQOSA-N 0 3 382.848 0.446 20 0 GCADHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)[C@@H]2C1 ZINC000894892598 1195586848 /nfs/dbraw/zinc/58/68/48/1195586848.db2.gz ATLHUZHIPSJTEY-ZWJWXYIHSA-N 0 3 378.517 0.874 20 0 GCADHN CN1CCN(CCCCNC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000520032675 1195590015 /nfs/dbraw/zinc/59/00/15/1195590015.db2.gz GVBRCVDOUCQRPJ-UHFFFAOYSA-N 0 3 397.545 0.292 20 0 GCADHN CN1CCN(CCNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1(C)C ZINC000440981765 1195592389 /nfs/dbraw/zinc/59/23/89/1195592389.db2.gz OMXHCVPLNRFIJV-LBPRGKRZSA-N 0 3 379.427 0.475 20 0 GCADHN CN1CCN(CCNC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1(C)C ZINC000440983675 1195593013 /nfs/dbraw/zinc/59/30/13/1195593013.db2.gz MSTBOMOJDOTGFG-UHFFFAOYSA-N 0 3 377.489 0.773 20 0 GCADHN CN1CCN(CCNC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CC1(C)C ZINC000440974015 1195593195 /nfs/dbraw/zinc/59/31/95/1195593195.db2.gz AERVNJWVVUHUSS-QGZVFWFLSA-N 0 3 379.549 0.960 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CC[S@](=O)C3)cc2)CC1 ZINC000441217360 1195610669 /nfs/dbraw/zinc/61/06/69/1195610669.db2.gz ICFJAKGXJUORHB-SOKVYYICSA-N 0 3 392.525 0.400 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC([C@H](O)C(=O)OC)CC2)cc1 ZINC000441223443 1195610928 /nfs/dbraw/zinc/61/09/28/1195610928.db2.gz ABMQVDOSLSBXMH-RDJZCZTQSA-N 0 3 381.425 0.459 20 0 GCADHN COC(=O)[C@@H](O)C1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000441230045 1195614963 /nfs/dbraw/zinc/61/49/63/1195614963.db2.gz JDRJPSTYURMGMY-CVEARBPZSA-N 0 3 391.424 0.110 20 0 GCADHN COC(=O)c1cncc(S(=O)(=O)NCC2(N3CCCC3)CCOCC2)c1 ZINC000520321561 1195619836 /nfs/dbraw/zinc/61/98/36/1195619836.db2.gz APKSUDIYOHLZRI-UHFFFAOYSA-N 0 3 383.470 0.792 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CC(n4ccnn4)C3)cn2)CC1 ZINC000441317906 1195622171 /nfs/dbraw/zinc/62/21/71/1195622171.db2.gz MJMBSKLFGPATBN-UHFFFAOYSA-N 0 3 385.428 0.168 20 0 GCADHN CN1C(=O)NCC12CCN(C[C@@H](O)Cn1c(=O)onc1-c1ccccc1)CC2 ZINC000520400071 1195630341 /nfs/dbraw/zinc/63/03/41/1195630341.db2.gz XQZBALCCRLVHFC-OAHLLOKOSA-N 0 3 387.440 0.354 20 0 GCADHN CCCN(C(=O)[C@H](C)N[C@@H]1CCc2nc(C)nn2C1)[C@H]1CCS(=O)(=O)C1 ZINC000112549737 1195636703 /nfs/dbraw/zinc/63/67/03/1195636703.db2.gz VVVOIFGESQESSU-CFVMTHIKSA-N 0 3 383.518 0.305 20 0 GCADHN CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)N1CCOCC1 ZINC000550345956 1195639125 /nfs/dbraw/zinc/63/91/25/1195639125.db2.gz NIDKMXJPNMZKKY-LZQZEXGQSA-N 0 3 394.560 0.839 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](c2ccco2)N2CCCCC2)n1 ZINC000550345596 1195639231 /nfs/dbraw/zinc/63/92/31/1195639231.db2.gz GXIXHPXLSNCUAM-HNNXBMFYSA-N 0 3 389.504 0.594 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000112917173 1195645703 /nfs/dbraw/zinc/64/57/03/1195645703.db2.gz KTQPLVNQDUQHBF-OAHLLOKOSA-N 0 3 387.484 0.222 20 0 GCADHN Cc1c(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)nnn1-c1ccn(C)n1 ZINC000550386281 1195652953 /nfs/dbraw/zinc/65/29/53/1195652953.db2.gz JKUJSCOBVNHUFN-UHFFFAOYSA-N 0 3 391.476 0.655 20 0 GCADHN CC(C)[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c2ccccc21 ZINC000520430706 1195656194 /nfs/dbraw/zinc/65/61/94/1195656194.db2.gz IRLBAKZDCADIEB-QXGSTGNESA-N 0 3 398.507 0.800 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2coc(C3CCOCC3)n2)CC1 ZINC000328677432 1195660388 /nfs/dbraw/zinc/66/03/88/1195660388.db2.gz MAJROOXUUPXDHU-UHFFFAOYSA-N 0 3 376.457 0.949 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)C(=O)N1CCOCC1 ZINC000441425832 1195664661 /nfs/dbraw/zinc/66/46/61/1195664661.db2.gz XMWLYNAUJJVJDK-KRWDZBQOSA-N 0 3 390.484 0.686 20 0 GCADHN COC(=O)c1cccc(NC(=O)CN2CCN(CC3CCOCC3)CC2)n1 ZINC000469594206 1195666433 /nfs/dbraw/zinc/66/64/33/1195666433.db2.gz DFWJPTDDEXBMHA-UHFFFAOYSA-N 0 3 376.457 0.851 20 0 GCADHN CCN1C[C@H](C)N(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000328938159 1195676444 /nfs/dbraw/zinc/67/64/44/1195676444.db2.gz DFLADWNIHAYGNP-OKZBNKHCSA-N 0 3 380.533 0.641 20 0 GCADHN CCN1C[C@H](C)N(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000328938155 1195676725 /nfs/dbraw/zinc/67/67/25/1195676725.db2.gz DFLADWNIHAYGNP-BZSNNMDCSA-N 0 3 380.533 0.641 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)CCCN2C(=O)CN(C)C2=O)CC1 ZINC000536296556 1195685277 /nfs/dbraw/zinc/68/52/77/1195685277.db2.gz GZLMUUAKRUUZCW-UHFFFAOYSA-N 0 3 382.461 0.052 20 0 GCADHN CCN(CC)CC(=O)N1CCN([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000507748302 1195685874 /nfs/dbraw/zinc/68/58/74/1195685874.db2.gz OKCWJMHDKGJVHK-INIZCTEOSA-N 0 3 396.532 0.273 20 0 GCADHN CNC(=O)c1cc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)cn1C ZINC000330495801 1195691542 /nfs/dbraw/zinc/69/15/42/1195691542.db2.gz XELFDFFDVLYLIL-UHFFFAOYSA-N 0 3 385.534 0.031 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000664999803 1195691648 /nfs/dbraw/zinc/69/16/48/1195691648.db2.gz WREHWDRXKCMYDZ-QGZVFWFLSA-N 0 3 397.545 0.921 20 0 GCADHN COc1cc(OC)c(C[C@H](C)NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(OC)c1 ZINC000665000137 1195694359 /nfs/dbraw/zinc/69/43/59/1195694359.db2.gz JTNCXJDTIMCWDK-RCBQFDQVSA-N 0 3 381.473 0.960 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)CC1 ZINC000330589359 1195697642 /nfs/dbraw/zinc/69/76/42/1195697642.db2.gz XETWVFGGANGBTM-UHFFFAOYSA-N 0 3 381.521 0.393 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(F)c1 ZINC000331099953 1195719281 /nfs/dbraw/zinc/71/92/81/1195719281.db2.gz OBWHWEZYXATGNP-OAHLLOKOSA-N 0 3 385.461 0.761 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)NCCNS(=O)(=O)N(C)C ZINC000665016565 1195721599 /nfs/dbraw/zinc/72/15/99/1195721599.db2.gz HUFMVEKNZXVCRW-UHFFFAOYSA-N 0 3 389.497 0.295 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000331173196 1195722045 /nfs/dbraw/zinc/72/20/45/1195722045.db2.gz OSFQWSSNRGIAHY-INIZCTEOSA-N 0 3 394.497 0.437 20 0 GCADHN CN1CCN(CCNC(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1(C)C ZINC000334032921 1195735108 /nfs/dbraw/zinc/73/51/08/1195735108.db2.gz ZOJYFPXLIJUFON-LSDHHAIUSA-N 0 3 389.566 0.172 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N1CCOC2(CCOCC2)C1)Cc1ccccc1 ZINC000550410017 1195742466 /nfs/dbraw/zinc/74/24/66/1195742466.db2.gz JNKIXFWMBRYHRB-SFHVURJKSA-N 0 3 389.496 0.684 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000729495717 1195743120 /nfs/dbraw/zinc/74/31/20/1195743120.db2.gz HKRWSNDFWQFXJX-HOTGVXAUSA-N 0 3 396.513 0.436 20 0 GCADHN CS(=O)(=O)Nc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000729497136 1195745407 /nfs/dbraw/zinc/74/54/07/1195745407.db2.gz LURCIYQSRUDHLQ-JKSUJKDBSA-N 0 3 382.486 0.721 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(N4CCCCCC4)nc3)CCN2C1=O ZINC000579377038 1195747833 /nfs/dbraw/zinc/74/78/33/1195747833.db2.gz NVOGUIAECBXYFT-IAGOWNOFSA-N 0 3 386.500 0.915 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000665049371 1195748262 /nfs/dbraw/zinc/74/82/62/1195748262.db2.gz SDXCHKCSPXDVDC-ZBFHGGJFSA-N 0 3 380.493 0.302 20 0 GCADHN CCSc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000579376773 1195748527 /nfs/dbraw/zinc/74/85/27/1195748527.db2.gz BWDTVRARHGRLIR-BJJXKVORSA-N 0 3 390.509 0.746 20 0 GCADHN C[C@H](CNC(=O)N1CCCC[C@H]1CN1CCOCC1)CN1CCN(C)CC1 ZINC000074657096 1195749975 /nfs/dbraw/zinc/74/99/75/1195749975.db2.gz NQPYTKIIOFXEJZ-MOPGFXCFSA-N 0 3 381.565 0.766 20 0 GCADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000550413007 1195753398 /nfs/dbraw/zinc/75/33/98/1195753398.db2.gz PWSYUGOKRIIWNB-WMZOPIPTSA-N 0 3 376.501 0.112 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000729498049 1195753953 /nfs/dbraw/zinc/75/39/53/1195753953.db2.gz UQSVVTMVSRGMDI-RDJZCZTQSA-N 0 3 376.457 0.474 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000729498046 1195754103 /nfs/dbraw/zinc/75/41/03/1195754103.db2.gz UQSVVTMVSRGMDI-DOTOQJQBSA-N 0 3 376.457 0.474 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)CN1CCOCC1 ZINC000550413784 1195754302 /nfs/dbraw/zinc/75/43/02/1195754302.db2.gz ZDFNURAEIHCNAC-HKUYNNGSSA-N 0 3 390.528 0.360 20 0 GCADHN CN(C)c1ncc(CNC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)n1C ZINC000550414024 1195755375 /nfs/dbraw/zinc/75/53/75/1195755375.db2.gz HJSWLVBOEADHLG-MRXNPFEDSA-N 0 3 386.500 0.391 20 0 GCADHN CNC(=O)CC1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000550414880 1195757790 /nfs/dbraw/zinc/75/77/90/1195757790.db2.gz PUGIIDBCVAIFIR-GOSISDBHSA-N 0 3 388.512 0.650 20 0 GCADHN Cn1cccc1C(=O)N1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729504084 1195772178 /nfs/dbraw/zinc/77/21/78/1195772178.db2.gz ZOWANOHLHQZMNN-HZPDHXFCSA-N 0 3 375.473 0.356 20 0 GCADHN Cn1cccc1C(=O)N1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729504089 1195772249 /nfs/dbraw/zinc/77/22/49/1195772249.db2.gz ZOWANOHLHQZMNN-JKSUJKDBSA-N 0 3 375.473 0.356 20 0 GCADHN C[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CCN1S(C)(=O)=O ZINC000182170734 1195783763 /nfs/dbraw/zinc/78/37/63/1195783763.db2.gz AKLCHBOTXJRLGK-KRWDZBQOSA-N 0 3 394.541 0.691 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N(CCOC)CCN(C)C)C2=O ZINC000520563074 1195787141 /nfs/dbraw/zinc/78/71/41/1195787141.db2.gz JQIVJYKRJAINBW-UHFFFAOYSA-N 0 3 382.505 0.914 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)C1(C)C ZINC000520576418 1195791107 /nfs/dbraw/zinc/79/11/07/1195791107.db2.gz CEOWAYGSXLBHHG-CRAIPNDOSA-N 0 3 399.513 0.534 20 0 GCADHN CN(C)CCN1CC[C@]2(CCN(C(=O)c3cncc(Br)n3)C2)C1=O ZINC001270882664 1195796350 /nfs/dbraw/zinc/79/63/50/1195796350.db2.gz XAGRQJIPJLQYNK-MRXNPFEDSA-N 0 3 396.289 0.865 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 ZINC000614618850 1195800537 /nfs/dbraw/zinc/80/05/37/1195800537.db2.gz VGAYMMFWLVAPRH-CQSZACIVSA-N 0 3 382.530 0.646 20 0 GCADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cnn(CC(=O)OC)c1C ZINC000507799868 1195825438 /nfs/dbraw/zinc/82/54/38/1195825438.db2.gz WYIAQVRVWBJCAC-UHFFFAOYSA-N 0 3 379.461 0.637 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(C(N)=O)c(C)c2)CC1 ZINC000441725260 1195826356 /nfs/dbraw/zinc/82/63/56/1195826356.db2.gz FWMYUAKHTXAKLU-CQSZACIVSA-N 0 3 389.500 0.422 20 0 GCADHN O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCc2nnnn2CC1 ZINC000665174216 1195840383 /nfs/dbraw/zinc/84/03/83/1195840383.db2.gz VXJPTUDPBVWRER-QGZVFWFLSA-N 0 3 384.488 0.984 20 0 GCADHN O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCc2nnnn2CC1 ZINC000665174213 1195840606 /nfs/dbraw/zinc/84/06/06/1195840606.db2.gz VXJPTUDPBVWRER-KRWDZBQOSA-N 0 3 384.488 0.984 20 0 GCADHN CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000984020099 1195843209 /nfs/dbraw/zinc/84/32/09/1195843209.db2.gz ZCBDIVBDLLFUIM-TWMKSMIVSA-N 0 3 378.517 0.583 20 0 GCADHN CNC(=O)[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)Cc1ccc(OC)c(F)c1 ZINC000665201608 1195846425 /nfs/dbraw/zinc/84/64/25/1195846425.db2.gz GVKXSRNOMWALSH-KBMXLJTQSA-N 0 3 396.463 0.055 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2sccc2C(=O)OC)CC1 ZINC000441785208 1195846984 /nfs/dbraw/zinc/84/69/84/1195846984.db2.gz GDTNPCYTMARCQE-LBPRGKRZSA-N 0 3 382.486 0.615 20 0 GCADHN CNC(=O)[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)Cc1ccc(F)cc1C ZINC000665202751 1195847510 /nfs/dbraw/zinc/84/75/10/1195847510.db2.gz NJYFNHSNJNDDGW-PVAVHDDUSA-N 0 3 380.464 0.355 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CC[C@](O)(C4CC4)C3)cn2)CC1 ZINC000427722862 1195870165 /nfs/dbraw/zinc/87/01/65/1195870165.db2.gz ODHYSBDZNBUDHN-HXUWFJFHSA-N 0 3 388.468 0.867 20 0 GCADHN CCc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000507939870 1195874186 /nfs/dbraw/zinc/87/41/86/1195874186.db2.gz OFAFCDUAGYVGPV-UHFFFAOYSA-N 0 3 388.512 0.878 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cnc(C(F)(F)F)nc1 ZINC000427775758 1195877718 /nfs/dbraw/zinc/87/77/18/1195877718.db2.gz CGGZARCNTDEGCA-UHFFFAOYSA-N 0 3 375.395 0.615 20 0 GCADHN C[C@H](CNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)CN1CCN(C)CC1 ZINC000427837735 1195886150 /nfs/dbraw/zinc/88/61/50/1195886150.db2.gz QRIVIRVGOXDLFB-IERDGZPVSA-N 0 3 388.512 0.393 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000508160355 1195904037 /nfs/dbraw/zinc/90/40/37/1195904037.db2.gz KFRFPFJGNHNKSB-SFHVURJKSA-N 0 3 397.564 0.587 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000366871387 1195914874 /nfs/dbraw/zinc/91/48/74/1195914874.db2.gz CZIQAOQTIHLCBZ-KUHUBIRLSA-N 0 3 394.516 0.839 20 0 GCADHN CN1CCN(CCNC(=O)COCCNC(=O)c2ccccc2)CC1(C)C ZINC000508301226 1195916338 /nfs/dbraw/zinc/91/63/38/1195916338.db2.gz NQIQFDXWSXSGCB-UHFFFAOYSA-N 0 3 376.501 0.575 20 0 GCADHN CN1CCN(CCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CC1(C)C ZINC000508296809 1195916415 /nfs/dbraw/zinc/91/64/15/1195916415.db2.gz CNPPBTBPHXUBMK-VYDXJSESSA-N 0 3 397.589 0.854 20 0 GCADHN Cc1c(C(=O)NC[C@@H]2CCCNC2=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000665261215 1195925966 /nfs/dbraw/zinc/92/59/66/1195925966.db2.gz XPBPXZRBMCCWBI-AWEZNQCLSA-N 0 3 382.468 0.820 20 0 GCADHN COc1ncncc1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000441940866 1195932323 /nfs/dbraw/zinc/93/23/23/1195932323.db2.gz HOAMDBNXEASUSU-UHFFFAOYSA-N 0 3 386.412 0.930 20 0 GCADHN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000441908133 1195932328 /nfs/dbraw/zinc/93/23/28/1195932328.db2.gz QXGMTJSRQPVXAL-UHFFFAOYSA-N 0 3 376.457 0.645 20 0 GCADHN O=C(Nc1ccc(CCN2CCOCC2)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000441988082 1195939307 /nfs/dbraw/zinc/93/93/07/1195939307.db2.gz MVAXVHIFDHDWFG-SFHVURJKSA-N 0 3 386.496 0.853 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000521027651 1195954820 /nfs/dbraw/zinc/95/48/20/1195954820.db2.gz HGESBPJLSMPLKQ-ZDUSSCGKSA-N 0 3 386.429 0.782 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000442146021 1195958315 /nfs/dbraw/zinc/95/83/15/1195958315.db2.gz AMYBQBQNKLGTMX-UHFFFAOYSA-N 0 3 390.484 0.946 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccc(CN4CCCC4=O)cc3)CCN2C1=O ZINC000521070917 1195959796 /nfs/dbraw/zinc/95/97/96/1195959796.db2.gz SCUQAVVFPLSOMX-SJORKVTESA-N 0 3 385.468 0.262 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CCn2nc3ccccn3c2=O)CC1 ZINC000521092939 1195962828 /nfs/dbraw/zinc/96/28/28/1195962828.db2.gz JNIPLPSFZFQNJL-UHFFFAOYSA-N 0 3 381.440 0.672 20 0 GCADHN CN(C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCNC1=O ZINC000442265784 1195968407 /nfs/dbraw/zinc/96/84/07/1195968407.db2.gz XZBIEQSZVBHSIS-MRXNPFEDSA-N 0 3 390.509 0.563 20 0 GCADHN C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CCN1C ZINC000442292402 1195972958 /nfs/dbraw/zinc/97/29/58/1195972958.db2.gz MMLUEZKQAQKLCH-IAGOWNOFSA-N 0 3 387.528 0.924 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000442327154 1195976268 /nfs/dbraw/zinc/97/62/68/1195976268.db2.gz AHGSKVZXOKCFTP-AWEZNQCLSA-N 0 3 388.468 0.907 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c1C ZINC000442335387 1195977278 /nfs/dbraw/zinc/97/72/78/1195977278.db2.gz MORDOCBRLOFSCC-ZDUSSCGKSA-N 0 3 394.497 0.656 20 0 GCADHN Cc1cc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)n(-c2ccc(C)nn2)n1 ZINC000442341104 1195979497 /nfs/dbraw/zinc/97/94/97/1195979497.db2.gz NFQFNINPHQDYLK-CQSZACIVSA-N 0 3 383.456 0.984 20 0 GCADHN CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)n1 ZINC000521281161 1195983603 /nfs/dbraw/zinc/98/36/03/1195983603.db2.gz KCGPVVVHTULLGX-SJKOYZFVSA-N 0 3 399.517 0.679 20 0 GCADHN COc1ccc([C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C(C)C)cc1 ZINC000521272873 1195983958 /nfs/dbraw/zinc/98/39/58/1195983958.db2.gz HCYWJHSHCQMZDT-HYVNUMGLSA-N 0 3 388.468 0.279 20 0 GCADHN CC(C)(CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000521273697 1195984550 /nfs/dbraw/zinc/98/45/50/1195984550.db2.gz ATZARSYUYXVELQ-HUUCEWRRSA-N 0 3 388.468 0.689 20 0 GCADHN CC(C)(CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000521273694 1195984662 /nfs/dbraw/zinc/98/46/62/1195984662.db2.gz ATZARSYUYXVELQ-CABCVRRESA-N 0 3 388.468 0.689 20 0 GCADHN COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000521371920 1195991963 /nfs/dbraw/zinc/99/19/63/1195991963.db2.gz QETMUROTNWIXGY-GXFFZTMASA-N 0 3 393.387 0.647 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000521371576 1195992085 /nfs/dbraw/zinc/99/20/85/1195992085.db2.gz HPPXPSSHEFYNDR-CYBMUJFWSA-N 0 3 378.477 0.726 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000442612392 1195995609 /nfs/dbraw/zinc/99/56/09/1195995609.db2.gz YBOAIMANYDHJBZ-IRXDYDNUSA-N 0 3 397.564 0.585 20 0 GCADHN CCN(CCCO)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000442593680 1195996254 /nfs/dbraw/zinc/99/62/54/1195996254.db2.gz OWYPGKHZHLZGFV-UHFFFAOYSA-N 0 3 390.484 0.553 20 0 GCADHN CN1CCN(CCNC(=O)N(CCO)CCOCC(F)(F)F)CC1(C)C ZINC000442609934 1195996994 /nfs/dbraw/zinc/99/69/94/1195996994.db2.gz NRDFMSBIYNCWPE-UHFFFAOYSA-N 0 3 384.443 0.595 20 0 GCADHN CCn1ncc2cc(C(=O)NCCCCN3CCN(CCO)CC3)c(C)nc21 ZINC000442630890 1195997430 /nfs/dbraw/zinc/99/74/30/1195997430.db2.gz RPBYFDWHEVVTND-UHFFFAOYSA-N 0 3 388.516 0.880 20 0 GCADHN C[C@@H]1COCCN1CCNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000521472010 1195998433 /nfs/dbraw/zinc/99/84/33/1195998433.db2.gz XVZKMCTVYJEDLI-QGZVFWFLSA-N 0 3 388.512 0.388 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)[C@H](O)Cc2cccc(OC)c2)CC1 ZINC000442870185 1196008133 /nfs/dbraw/zinc/00/81/33/1196008133.db2.gz UOVLFCQWMVISMF-GOSISDBHSA-N 0 3 378.469 0.990 20 0 GCADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000521626781 1196008704 /nfs/dbraw/zinc/00/87/04/1196008704.db2.gz YLDFTFFJVMYKSF-KRWDZBQOSA-N 0 3 385.468 0.087 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000521704354 1196012214 /nfs/dbraw/zinc/01/22/14/1196012214.db2.gz NKJLQDHZYCIDOO-UHFFFAOYSA-N 0 3 390.484 0.659 20 0 GCADHN CCN(C(=O)[C@H](C)N1C[C@@H](c2ccccc2F)[C@H](N)C1)[C@H]1CCS(=O)(=O)C1 ZINC000521846407 1196019274 /nfs/dbraw/zinc/01/92/74/1196019274.db2.gz TXLSGBYJGFTQSD-ILXVDBEPSA-N 0 3 397.516 0.976 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N[C@@H]3CCc4ccc(F)cc43)C2)nn1 ZINC000521844767 1196019299 /nfs/dbraw/zinc/01/92/99/1196019299.db2.gz BXAIIHXYOLMSCD-DOTOQJQBSA-N 0 3 386.431 0.843 20 0 GCADHN CCN(C(=O)[C@@H](C)N1C[C@@H](c2ccccc2F)[C@H](N)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000521846406 1196019537 /nfs/dbraw/zinc/01/95/37/1196019537.db2.gz TXLSGBYJGFTQSD-AHEZYBDSSA-N 0 3 397.516 0.976 20 0 GCADHN CNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000443109570 1196019756 /nfs/dbraw/zinc/01/97/56/1196019756.db2.gz LDBKQQLZBRBHJW-UHFFFAOYSA-N 0 3 375.473 0.127 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)CC1(C)C ZINC000443118766 1196021372 /nfs/dbraw/zinc/02/13/72/1196021372.db2.gz WUFVXFMYZJXJNU-UHFFFAOYSA-N 0 3 399.499 0.407 20 0 GCADHN Cc1cc2c(cc1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)OCO2 ZINC000443126046 1196022131 /nfs/dbraw/zinc/02/21/31/1196022131.db2.gz XYKRYWJSWBEVAH-UHFFFAOYSA-N 0 3 376.457 0.804 20 0 GCADHN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000443144343 1196022891 /nfs/dbraw/zinc/02/28/91/1196022891.db2.gz KVDVBNUUEJLFPQ-CQSZACIVSA-N 0 3 391.472 0.404 20 0 GCADHN CN1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H](CN)C1 ZINC000521876262 1196023159 /nfs/dbraw/zinc/02/31/59/1196023159.db2.gz UTBGHTHVVJHQMO-AWEZNQCLSA-N 0 3 397.497 0.113 20 0 GCADHN CN1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H](CN)C1 ZINC000521876263 1196023329 /nfs/dbraw/zinc/02/33/29/1196023329.db2.gz UTBGHTHVVJHQMO-CQSZACIVSA-N 0 3 397.497 0.113 20 0 GCADHN C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000443237093 1196028986 /nfs/dbraw/zinc/02/89/86/1196028986.db2.gz BOPNEGGGSHWWRL-BLLLJJGKSA-N 0 3 389.456 0.134 20 0 GCADHN O=C(Cc1ccccc1Cl)N1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000521986465 1196030108 /nfs/dbraw/zinc/03/01/08/1196030108.db2.gz GZTHNFLZLHMMIN-HNNXBMFYSA-N 0 3 380.876 0.725 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)nn1 ZINC000522005170 1196035026 /nfs/dbraw/zinc/03/50/26/1196035026.db2.gz VXLFDEPWCRSKPR-LJQANCHMSA-N 0 3 386.456 0.915 20 0 GCADHN C[C@H](CNCC(=O)N(C)Cc1cnn(C)c1)N(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001271113938 1196035918 /nfs/dbraw/zinc/03/59/18/1196035918.db2.gz WSWZCSKVSPJKLC-DZUCGIPZSA-N 0 3 377.489 0.383 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccc(OC(F)F)c1 ZINC000522015671 1196035987 /nfs/dbraw/zinc/03/59/87/1196035987.db2.gz YYLJWFGLRNFBOW-JKOKRWQUSA-N 0 3 396.394 0.236 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3nc4c(s3)CCCCC4)CCN2C1=O ZINC000522015208 1196036217 /nfs/dbraw/zinc/03/62/17/1196036217.db2.gz UAAJPLBFFPKWKC-MNOVXSKESA-N 0 3 377.470 0.121 20 0 GCADHN COc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1C(=O)N(C)C ZINC000443292342 1196036235 /nfs/dbraw/zinc/03/62/35/1196036235.db2.gz CJWAVBDACVRRCG-UHFFFAOYSA-N 0 3 399.513 0.380 20 0 GCADHN COc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1C(N)=O ZINC000443295717 1196036775 /nfs/dbraw/zinc/03/67/75/1196036775.db2.gz OOVZGRCJELHFKJ-CYBMUJFWSA-N 0 3 385.486 0.165 20 0 GCADHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000443331530 1196038872 /nfs/dbraw/zinc/03/88/72/1196038872.db2.gz VYJNVDBQFWPMLG-ZACQAIPSSA-N 0 3 382.549 0.527 20 0 GCADHN C[C@@H]1CN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@@H](C(N)=O)O1 ZINC000624357645 1196039677 /nfs/dbraw/zinc/03/96/77/1196039677.db2.gz ZWRYSCRTCKRWGG-PBHICJAKSA-N 0 3 375.473 0.578 20 0 GCADHN CC[C@@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)C(=O)N1CCOCC1 ZINC000474059905 1196054096 /nfs/dbraw/zinc/05/40/96/1196054096.db2.gz QRIXMNBBWCNBRR-MRXNPFEDSA-N 0 3 383.537 0.339 20 0 GCADHN CN(CCN1CCN(c2ncccc2S(N)(=O)=O)CC1)Cc1ccccc1 ZINC000522180571 1196055087 /nfs/dbraw/zinc/05/50/87/1196055087.db2.gz RXBYJQVLCHGRCN-UHFFFAOYSA-N 0 3 389.525 0.983 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCN1CCN1CCCC1=O ZINC001087669367 1196058006 /nfs/dbraw/zinc/05/80/06/1196058006.db2.gz BKOJWEOYEIJLGW-YTGMWSOZSA-N 0 3 379.501 0.629 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)CCN1CCN1C(=O)CCC1=O ZINC001087665364 1196058498 /nfs/dbraw/zinc/05/84/98/1196058498.db2.gz LLRLDOFTHHYJBY-OLMMMNRUSA-N 0 3 377.485 0.920 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)CCN1CCCN1C(=O)CNC1=O ZINC001087666259 1196058896 /nfs/dbraw/zinc/05/88/96/1196058896.db2.gz JAVKKGSKHSIFOX-QXSJWSMHSA-N 0 3 380.489 0.713 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000443485508 1196059500 /nfs/dbraw/zinc/05/95/00/1196059500.db2.gz FTKPHBXUNLNACF-UHFFFAOYSA-N 0 3 396.469 0.555 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)cn1C ZINC000443482023 1196059892 /nfs/dbraw/zinc/05/98/92/1196059892.db2.gz GXZGVHVVSQZWHT-NVXWUHKLSA-N 0 3 399.513 0.858 20 0 GCADHN CN(C)[C@@H](CNC(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000428280404 1196061488 /nfs/dbraw/zinc/06/14/88/1196061488.db2.gz NLNZXQAXUNVTET-INIZCTEOSA-N 0 3 395.485 0.696 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000522215889 1196061936 /nfs/dbraw/zinc/06/19/36/1196061936.db2.gz XZAGISNTIMEFSF-CQSZACIVSA-N 0 3 397.497 0.679 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1CCCc1nc(C)no1 ZINC001087724502 1196065454 /nfs/dbraw/zinc/06/54/54/1196065454.db2.gz TZZNWXKEFCQNEF-LJISPDSOSA-N 0 3 379.461 0.313 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000522289288 1196072905 /nfs/dbraw/zinc/07/29/05/1196072905.db2.gz DPHYZKJHPPFERS-UHFFFAOYSA-N 0 3 391.476 0.521 20 0 GCADHN COc1cc(OC)cc(C(=O)N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)c1 ZINC000429681694 1196076188 /nfs/dbraw/zinc/07/61/88/1196076188.db2.gz WOAXXFPIGAPCHE-INIZCTEOSA-N 0 3 391.468 0.757 20 0 GCADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000895343043 1196085325 /nfs/dbraw/zinc/08/53/25/1196085325.db2.gz DJIYWCYWJGIHNB-GJZGRUSLSA-N 0 3 391.534 0.377 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000550564114 1196087908 /nfs/dbraw/zinc/08/79/08/1196087908.db2.gz ZRJJYZIDBWGKLZ-KRWDZBQOSA-N 0 3 389.500 0.525 20 0 GCADHN COc1ccc([C@@H](NC(C)C)C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000895484153 1196098353 /nfs/dbraw/zinc/09/83/53/1196098353.db2.gz YCJYRXXTJJHRHJ-LJQANCHMSA-N 0 3 376.501 0.967 20 0 GCADHN CC(=O)N1CCC[C@@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000474296492 1196107446 /nfs/dbraw/zinc/10/74/46/1196107446.db2.gz HIQMMDVCPXUTQN-IRXDYDNUSA-N 0 3 381.521 0.487 20 0 GCADHN O=C(NCC1CCN(Cc2ccncc2)CC1)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000895727539 1196109819 /nfs/dbraw/zinc/10/98/19/1196109819.db2.gz NEABMHSQQMLIPK-HDICACEKSA-N 0 3 392.525 0.980 20 0 GCADHN CC1(C)CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@@]2(CCOC2)O1 ZINC000474384581 1196113596 /nfs/dbraw/zinc/11/35/96/1196113596.db2.gz POKDBFAQTSSMGM-HXUWFJFHSA-N 0 3 398.548 0.356 20 0 GCADHN O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000895841789 1196113849 /nfs/dbraw/zinc/11/38/49/1196113849.db2.gz IBYFKRAXTVCUHC-WJFTUGDTSA-N 0 3 392.544 0.870 20 0 GCADHN CCCNC(=O)[C@@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000522442157 1196121421 /nfs/dbraw/zinc/12/14/21/1196121421.db2.gz CVWGDBORECEKBW-IAGOWNOFSA-N 0 3 395.548 0.877 20 0 GCADHN O=C(NC[C@H](n1cncn1)C(F)(F)F)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000896101759 1196125741 /nfs/dbraw/zinc/12/57/41/1196125741.db2.gz YJIDSPBXKNNMAU-AVGNSLFASA-N 0 3 376.383 0.622 20 0 GCADHN COc1ncc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1C(N)=O ZINC000474573928 1196126401 /nfs/dbraw/zinc/12/64/01/1196126401.db2.gz BWYHFYFHTDNDLU-FQEVSTJZSA-N 0 3 399.451 0.948 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)CC1 ZINC000896162117 1196130626 /nfs/dbraw/zinc/13/06/26/1196130626.db2.gz AQHNXWFONWWXFN-IAGOWNOFSA-N 0 3 397.516 0.700 20 0 GCADHN O=C(NCCCCN1CCN(c2ncccn2)CC1)C1CN([C@@H]2CCOC2)C1 ZINC000896174287 1196131012 /nfs/dbraw/zinc/13/10/12/1196131012.db2.gz OFLUZANCUBEVGZ-GOSISDBHSA-N 0 3 388.516 0.216 20 0 GCADHN Cc1ccccc1CN1CCO[C@H](CNC(=O)NCCN2CCC(O)CC2)C1 ZINC000896203723 1196133050 /nfs/dbraw/zinc/13/30/50/1196133050.db2.gz OHTWJMQODRYRJA-HXUWFJFHSA-N 0 3 390.528 0.952 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(C(=O)C3CN([C@@H]4CCOC4)C3)CC2)CC1 ZINC000896273914 1196139963 /nfs/dbraw/zinc/13/99/63/1196139963.db2.gz LYVGGWGNUHKJSK-LJQANCHMSA-N 0 3 392.544 0.500 20 0 GCADHN O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]2C1 ZINC001087972389 1196142607 /nfs/dbraw/zinc/14/26/07/1196142607.db2.gz BFONNKBIYAHMBC-MDMSPXHWSA-N 0 3 386.496 0.921 20 0 GCADHN COCc1ncc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c(N)n1 ZINC000474731532 1196146583 /nfs/dbraw/zinc/14/65/83/1196146583.db2.gz WEWBIDOCXKBQHB-UHFFFAOYSA-N 0 3 384.484 0.883 20 0 GCADHN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CN(C3CCOCC3)C1)CC2 ZINC000896402370 1196147123 /nfs/dbraw/zinc/14/71/23/1196147123.db2.gz LTZVSARMZCIACL-UHFFFAOYSA-N 0 3 393.509 0.937 20 0 GCADHN O=C(NCc1ccc(N2CCNC2=O)cc1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000896444147 1196149065 /nfs/dbraw/zinc/14/90/65/1196149065.db2.gz DSVIFWNMXCTWOO-MSOLQXFVSA-N 0 3 387.484 0.957 20 0 GCADHN C[C@H](NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1CN(C)CCN1C ZINC000896553163 1196162603 /nfs/dbraw/zinc/16/26/03/1196162603.db2.gz RVMHLTJBHDVLRO-RDJZCZTQSA-N 0 3 397.564 0.726 20 0 GCADHN CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@H]1CN3CCN1CCC3)C2 ZINC000329100757 1196164006 /nfs/dbraw/zinc/16/40/06/1196164006.db2.gz DVWKRJRDGMXBMP-QGZVFWFLSA-N 0 3 392.525 0.212 20 0 GCADHN O=C([C@H]1CN2CCN1CCC2)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 ZINC000329104630 1196164018 /nfs/dbraw/zinc/16/40/18/1196164018.db2.gz GSTHZTKSJAANSL-QZTJIDSGSA-N 0 3 382.468 0.557 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N(CCO)C3CCC3)cn2)CC1 ZINC000443781932 1196172786 /nfs/dbraw/zinc/17/27/86/1196172786.db2.gz LOSPWLBZRIGBIB-UHFFFAOYSA-N 0 3 376.457 0.867 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329182485 1196173198 /nfs/dbraw/zinc/17/31/98/1196173198.db2.gz NTCZVJIGQMHFDF-NRFANRHFSA-N 0 3 393.528 0.997 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000329314649 1196184888 /nfs/dbraw/zinc/18/48/88/1196184888.db2.gz HBKUSFIELXNLIE-YYIAUSFCSA-N 0 3 387.546 0.901 20 0 GCADHN Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@H]4CCCN4C)CC3)C2=O)n(C)n1 ZINC000329340446 1196187355 /nfs/dbraw/zinc/18/73/55/1196187355.db2.gz OHFRJCUSXMSUJU-SJORKVTESA-N 0 3 388.516 0.462 20 0 GCADHN CS(=O)(=O)c1ccccc1CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000896649559 1196192033 /nfs/dbraw/zinc/19/20/33/1196192033.db2.gz FHKUWQGPOXXVDY-IAGOWNOFSA-N 0 3 395.525 0.873 20 0 GCADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000896689006 1196196602 /nfs/dbraw/zinc/19/66/02/1196196602.db2.gz VDQWWQXSBRJFAI-KRWDZBQOSA-N 0 3 389.500 0.497 20 0 GCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC000896689612 1196196869 /nfs/dbraw/zinc/19/68/69/1196196869.db2.gz YLSDSJMPZZAVIL-IRXDYDNUSA-N 0 3 387.484 0.297 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)[C@H]2C1 ZINC000329461372 1196198469 /nfs/dbraw/zinc/19/84/69/1196198469.db2.gz SQAHGEBIQMUTQR-FGTMMUONSA-N 0 3 378.517 0.252 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 ZINC000329468239 1196198984 /nfs/dbraw/zinc/19/89/84/1196198984.db2.gz XFDPKFJNAYIZGX-OAHLLOKOSA-N 0 3 385.530 0.214 20 0 GCADHN CCc1c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000329470305 1196199279 /nfs/dbraw/zinc/19/92/79/1196199279.db2.gz YTDMETHPOXSOIV-DOMZBBRYSA-N 0 3 385.468 0.361 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CO1 ZINC000896709321 1196199784 /nfs/dbraw/zinc/19/97/84/1196199784.db2.gz BOLREQCEHYUQHQ-QLFBSQMISA-N 0 3 384.477 0.778 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CO1 ZINC000896710978 1196200731 /nfs/dbraw/zinc/20/07/31/1196200731.db2.gz BOLREQCEHYUQHQ-SOUVJXGZSA-N 0 3 384.477 0.778 20 0 GCADHN COc1c2cnn(C)c2ncc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000329588354 1196207348 /nfs/dbraw/zinc/20/73/48/1196207348.db2.gz XPQRXMKCKYENKH-HNNXBMFYSA-N 0 3 386.456 0.356 20 0 GCADHN O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329603144 1196209100 /nfs/dbraw/zinc/20/91/00/1196209100.db2.gz YJGOIRKGLFWRLV-SJORKVTESA-N 0 3 385.530 0.514 20 0 GCADHN CO[C@@H](C)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000443811472 1196214589 /nfs/dbraw/zinc/21/45/89/1196214589.db2.gz OYZPGXFVQSZKQL-ZDUSSCGKSA-N 0 3 376.457 0.474 20 0 GCADHN O=C(CN1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000329660958 1196218011 /nfs/dbraw/zinc/21/80/11/1196218011.db2.gz OTVANZXBLYNTNL-JQHSSLGASA-N 0 3 393.509 0.222 20 0 GCADHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N(C)C ZINC000443833813 1196220464 /nfs/dbraw/zinc/22/04/64/1196220464.db2.gz CRGBAVOLPOMFPE-CXAGYDPISA-N 0 3 386.456 0.423 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCCNc2ccc(-c3ccccc3)nn2)CC1=O ZINC000443840834 1196220884 /nfs/dbraw/zinc/22/08/84/1196220884.db2.gz NLISDCUWHZXKLP-QGZVFWFLSA-N 0 3 396.495 1.082 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C3CC3)n2C[C@@H]2CCOC2)CC1 ZINC000329697593 1196222891 /nfs/dbraw/zinc/22/28/91/1196222891.db2.gz CIXWEGRWLNUAMW-RDJZCZTQSA-N 0 3 388.516 0.935 20 0 GCADHN O=C(NCCNC(=O)c1cnccn1)NCC1(N2CCSCC2)CCCC1 ZINC000522607373 1196224774 /nfs/dbraw/zinc/22/47/74/1196224774.db2.gz CXEDUONHAMGZTM-UHFFFAOYSA-N 0 3 392.529 0.867 20 0 GCADHN O=C(NCCCN1CCc2ccccc2C1)NCCNC(=O)c1cnccn1 ZINC000522608718 1196224929 /nfs/dbraw/zinc/22/49/29/1196224929.db2.gz NRZPMPBREGBRRU-UHFFFAOYSA-N 0 3 382.468 0.954 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)CCO1 ZINC000522665213 1196228118 /nfs/dbraw/zinc/22/81/18/1196228118.db2.gz UGGHLOUBZUWRPF-CYBMUJFWSA-N 0 3 380.411 0.902 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c([C@H]2CCOC2)n1 ZINC000329865022 1196234845 /nfs/dbraw/zinc/23/48/45/1196234845.db2.gz TWGZAKWRRBADCJ-GOEBONIOSA-N 0 3 375.473 0.303 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c([C@@H]2CCOC2)n1 ZINC000329875658 1196235629 /nfs/dbraw/zinc/23/56/29/1196235629.db2.gz GWUSRIXFOCFZPB-OAHLLOKOSA-N 0 3 375.473 0.304 20 0 GCADHN Cc1cc(NC(=O)CN[C@@H]2CCC[C@]2(C)CO)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000329952409 1196241602 /nfs/dbraw/zinc/24/16/02/1196241602.db2.gz NEBNALJLHVIBPJ-JJRVBVJISA-N 0 3 384.502 0.630 20 0 GCADHN O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001088045743 1196242394 /nfs/dbraw/zinc/24/23/94/1196242394.db2.gz KGKBHFXCVWCCMJ-ZPFYTHJMSA-N 0 3 389.496 0.731 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)CC1 ZINC000330100678 1196253127 /nfs/dbraw/zinc/25/31/27/1196253127.db2.gz DQIWCWBKNBZERA-JKSUJKDBSA-N 0 3 394.541 0.453 20 0 GCADHN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330136967 1196255547 /nfs/dbraw/zinc/25/55/47/1196255547.db2.gz UPHJQGNPYQXHMP-HUUCEWRRSA-N 0 3 382.530 0.453 20 0 GCADHN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN(C)C3(CO)CCOCC3)CC2)C1 ZINC000330148128 1196256239 /nfs/dbraw/zinc/25/62/39/1196256239.db2.gz JCSLTYXJGKXZTL-QGZVFWFLSA-N 0 3 395.544 0.957 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000330161577 1196257243 /nfs/dbraw/zinc/25/72/43/1196257243.db2.gz TVVUCNVRVVZQLT-HZPDHXFCSA-N 0 3 390.488 0.690 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N[C@H](C2CCC2)C2CCCC2)CC1=O ZINC000653436055 1196257514 /nfs/dbraw/zinc/25/75/14/1196257514.db2.gz JYOKQMHVEINUPF-SFHVURJKSA-N 0 3 378.517 0.694 20 0 GCADHN CS[C@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@@H]1N1CCCC1 ZINC000330179915 1196258419 /nfs/dbraw/zinc/25/84/19/1196258419.db2.gz MWKUGSXNAXVISX-KBPBESRZSA-N 0 3 389.481 0.686 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C[C@@H]2C1 ZINC000330189398 1196258770 /nfs/dbraw/zinc/25/87/70/1196258770.db2.gz VFZPRZGCVPNPLX-GASCZTMLSA-N 0 3 399.538 0.653 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000330198567 1196259442 /nfs/dbraw/zinc/25/94/42/1196259442.db2.gz UGGSJXRJUBOSKH-MRXNPFEDSA-N 0 3 378.517 0.252 20 0 GCADHN CC(C)n1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000280935893 1196267072 /nfs/dbraw/zinc/26/70/72/1196267072.db2.gz FHAVWPSVWGFHJO-CQSZACIVSA-N 0 3 376.461 0.168 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000281045931 1196271317 /nfs/dbraw/zinc/27/13/17/1196271317.db2.gz OKAPCAYZUSFMGI-UHFFFAOYSA-N 0 3 382.392 0.151 20 0 GCADHN CC(C)c1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000281106868 1196278023 /nfs/dbraw/zinc/27/80/23/1196278023.db2.gz UKNPVBGACSCQLO-OAHLLOKOSA-N 0 3 388.472 0.304 20 0 GCADHN Cn1c2ncn(CCN3CC[C@@H](OCc4ccncc4)C3)c2c(=O)n(C)c1=O ZINC000281125666 1196278573 /nfs/dbraw/zinc/27/85/73/1196278573.db2.gz XXDSBBXWWZTCMW-OAHLLOKOSA-N 0 3 384.440 0.120 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000281230866 1196285238 /nfs/dbraw/zinc/28/52/38/1196285238.db2.gz MYYIBVKPBDKHBZ-UHFFFAOYSA-N 0 3 383.470 0.339 20 0 GCADHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cn1cc(Br)cn1 ZINC001271258806 1196289247 /nfs/dbraw/zinc/28/92/47/1196289247.db2.gz UXUCAURQZCRUHK-ZIAGYGMSSA-N 0 3 398.305 0.799 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000281441162 1196297248 /nfs/dbraw/zinc/29/72/48/1196297248.db2.gz DPLFVWNXJUZIOF-RMKNXTFCSA-N 0 3 380.514 0.443 20 0 GCADHN O=S(=O)(N1CCOCC1)N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000330362835 1196303271 /nfs/dbraw/zinc/30/32/71/1196303271.db2.gz ZYIXCAPTIGFCHK-HNNXBMFYSA-N 0 3 383.518 0.762 20 0 GCADHN CC1=C(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@@H](C)n2ncnc2N1C ZINC000281543423 1196303868 /nfs/dbraw/zinc/30/38/68/1196303868.db2.gz IUJLGYIOQSCGFG-CABCVRRESA-N 0 3 389.504 0.622 20 0 GCADHN CCOC1CC(O)(CNCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000444016545 1196305012 /nfs/dbraw/zinc/30/50/12/1196305012.db2.gz ZZIOQJKROSCNHN-UHFFFAOYSA-N 0 3 384.498 0.727 20 0 GCADHN CN(C)[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)Cc1ccccc1 ZINC000665535423 1196306684 /nfs/dbraw/zinc/30/66/84/1196306684.db2.gz SPUQXTQGQMQLAG-MRXNPFEDSA-N 0 3 390.509 0.836 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CC1 ZINC000522772398 1196308009 /nfs/dbraw/zinc/30/80/09/1196308009.db2.gz BRUKKVZHAPWQSW-UHFFFAOYSA-N 0 3 394.497 0.620 20 0 GCADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000281594136 1196311269 /nfs/dbraw/zinc/31/12/69/1196311269.db2.gz NZTPFVHTSSSEFL-DENIHFKCSA-N 0 3 399.491 0.443 20 0 GCADHN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)OCO2 ZINC000281620523 1196315530 /nfs/dbraw/zinc/31/55/30/1196315530.db2.gz ZYZLBUIJKJUETN-AWEZNQCLSA-N 0 3 395.481 0.651 20 0 GCADHN CN1CCN(CCNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1(C)C ZINC000281663982 1196319984 /nfs/dbraw/zinc/31/99/84/1196319984.db2.gz CNAGVECBNKBKFE-CVEARBPZSA-N 0 3 392.525 0.833 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 ZINC000281669653 1196320446 /nfs/dbraw/zinc/32/04/46/1196320446.db2.gz LHDOEAOPZCUKPO-UHFFFAOYSA-N 0 3 387.484 0.506 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)ccc1OC ZINC000281731269 1196327800 /nfs/dbraw/zinc/32/78/00/1196327800.db2.gz JFQZOSPCFNEAEY-UHFFFAOYSA-N 0 3 398.529 0.359 20 0 GCADHN COC(=O)CCCS(=O)(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000522798704 1196329091 /nfs/dbraw/zinc/32/90/91/1196329091.db2.gz BVVQKKHTPLCMGR-UHFFFAOYSA-N 0 3 383.514 0.807 20 0 GCADHN Cn1cnnc1-c1cccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281756439 1196329123 /nfs/dbraw/zinc/32/91/23/1196329123.db2.gz AIUVBOQLIISEMU-UHFFFAOYSA-N 0 3 399.499 0.563 20 0 GCADHN COc1ccc(C(=O)NCC(=O)NCCN2CCN(C)C(C)(C)C2)cc1OC ZINC000281749319 1196330050 /nfs/dbraw/zinc/33/00/50/1196330050.db2.gz KPHQSDVADRXKQM-UHFFFAOYSA-N 0 3 392.500 0.576 20 0 GCADHN CN1CCN(CCNC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1(C)C ZINC000281799043 1196332831 /nfs/dbraw/zinc/33/28/31/1196332831.db2.gz OUBMKJFJSFWUBL-NRFANRHFSA-N 0 3 388.512 0.536 20 0 GCADHN CCOc1ccc(C(=O)NCC(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281858431 1196341895 /nfs/dbraw/zinc/34/18/95/1196341895.db2.gz VFPSLQGXIADMQV-UHFFFAOYSA-N 0 3 376.501 0.957 20 0 GCADHN Cc1cc(NC(=O)CSCC(=O)NCCN2CCN(C)C(C)(C)C2)no1 ZINC000281872150 1196343168 /nfs/dbraw/zinc/34/31/68/1196343168.db2.gz WIJILLIRQYGPAF-UHFFFAOYSA-N 0 3 383.518 0.797 20 0 GCADHN Cc1oc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1S(=O)(=O)N(C)C ZINC000281872179 1196343574 /nfs/dbraw/zinc/34/35/74/1196343574.db2.gz WISWHXUVXZUCGS-UHFFFAOYSA-N 0 3 386.518 0.594 20 0 GCADHN Cc1nc(C)c(CC(=O)N2C[C@@]3(F)C(=O)N(CCN(C)C)C[C@@]3(F)C2)s1 ZINC001271379690 1196344442 /nfs/dbraw/zinc/34/44/42/1196344442.db2.gz SYYKIPZUNAGKDE-IAGOWNOFSA-N 0 3 386.468 0.965 20 0 GCADHN COC(=O)c1cccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281931948 1196348771 /nfs/dbraw/zinc/34/87/71/1196348771.db2.gz KAPIQXLPYGHBRH-UHFFFAOYSA-N 0 3 376.457 0.554 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc(-n3cccn3)c2)CC1(C)C ZINC000281939403 1196349469 /nfs/dbraw/zinc/34/94/69/1196349469.db2.gz KKAMUILISFLADS-UHFFFAOYSA-N 0 3 384.484 0.953 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)C1(C)C ZINC000444136656 1196350123 /nfs/dbraw/zinc/35/01/23/1196350123.db2.gz CJQNWDQOKBZNRH-DNVCBOLYSA-N 0 3 379.457 0.708 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)Cc3ccc(Cl)nc3)C[C@@]2(F)C1=O ZINC001271414037 1196357762 /nfs/dbraw/zinc/35/77/62/1196357762.db2.gz QQLJERYRSGKHCX-IAGOWNOFSA-N 0 3 386.830 0.940 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@H](O)[C@@H]3CCOC3)cc2)CC1 ZINC000522962012 1196370567 /nfs/dbraw/zinc/37/05/67/1196370567.db2.gz RVCPDKMARJKLSB-MOPGFXCFSA-N 0 3 376.501 0.631 20 0 GCADHN CC(=O)Nc1cc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)ccc1C ZINC000522973034 1196370771 /nfs/dbraw/zinc/37/07/71/1196370771.db2.gz FPASUOBWRGXCEG-OAHLLOKOSA-N 0 3 396.513 0.819 20 0 GCADHN CCCN(C)CC(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000522976097 1196371965 /nfs/dbraw/zinc/37/19/65/1196371965.db2.gz ACLOLOWMIOGEHX-UHFFFAOYSA-N 0 3 376.501 0.911 20 0 GCADHN O=C(CCC1CCCC1)NCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103121710 1196373509 /nfs/dbraw/zinc/37/35/09/1196373509.db2.gz IKIPGQMLXQQXNU-UHFFFAOYSA-N 0 3 378.517 0.840 20 0 GCADHN CCCC(=O)N1CCC(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000103121616 1196373781 /nfs/dbraw/zinc/37/37/81/1196373781.db2.gz RMKKWGLFAYEKRV-UHFFFAOYSA-N 0 3 378.517 0.792 20 0 GCADHN COC(=O)CCc1nnc(NC(=O)NCCCCN2CCN(C)CC2)s1 ZINC000522992685 1196374023 /nfs/dbraw/zinc/37/40/23/1196374023.db2.gz KTPPTQRGYNCKPT-UHFFFAOYSA-N 0 3 384.506 0.793 20 0 GCADHN CCOc1cccc(CNC(=O)CN2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000103150460 1196374123 /nfs/dbraw/zinc/37/41/23/1196374123.db2.gz UXWXXRQWXZGDEK-UHFFFAOYSA-N 0 3 388.512 0.942 20 0 GCADHN Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000103204444 1196374413 /nfs/dbraw/zinc/37/44/13/1196374413.db2.gz BQNCPSBYHSDXBD-UHFFFAOYSA-N 0 3 386.496 0.800 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnc3cc(C)ccn3c2=O)CC1 ZINC000103449056 1196375931 /nfs/dbraw/zinc/37/59/31/1196375931.db2.gz OQHHCMRRLQAULH-UHFFFAOYSA-N 0 3 385.468 0.629 20 0 GCADHN CN1CCN(CCCCNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000103509691 1196377023 /nfs/dbraw/zinc/37/70/23/1196377023.db2.gz HGLBUZHBCWHSHB-UHFFFAOYSA-N 0 3 393.536 0.098 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000523004690 1196384235 /nfs/dbraw/zinc/38/42/35/1196384235.db2.gz QQWYGXGMGJUAQS-QGZVFWFLSA-N 0 3 381.521 0.047 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnc(Cl)c(C)c2)CC1 ZINC000760104230 1196384940 /nfs/dbraw/zinc/38/49/40/1196384940.db2.gz ISYAZHXCOFDULT-UHFFFAOYSA-N 0 3 395.891 0.995 20 0 GCADHN O=S(=O)(NCC1CC1)c1ccc(N2CC[C@H]3[C@@H]2CCCN3CCO)nc1 ZINC000897220788 1196405856 /nfs/dbraw/zinc/40/58/56/1196405856.db2.gz DCBJAPMPWQTEDQ-IRXDYDNUSA-N 0 3 380.514 0.805 20 0 GCADHN COc1ccc([C@H](NC(C)C)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000897235910 1196407748 /nfs/dbraw/zinc/40/77/48/1196407748.db2.gz ZFGIKTDAKAUQMX-MJGOQNOKSA-N 0 3 379.501 0.886 20 0 GCADHN COc1ccc([C@@H](NC(C)C)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1 ZINC000897235911 1196407844 /nfs/dbraw/zinc/40/78/44/1196407844.db2.gz ZFGIKTDAKAUQMX-PKOBYXMFSA-N 0 3 379.501 0.886 20 0 GCADHN COc1ncc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1C(N)=O ZINC000475382314 1196408218 /nfs/dbraw/zinc/40/82/18/1196408218.db2.gz IIIYIRCGVSAZSD-OAHLLOKOSA-N 0 3 399.451 0.417 20 0 GCADHN C[S@@](=O)c1cccc(NC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000609845537 1196417947 /nfs/dbraw/zinc/41/79/47/1196417947.db2.gz XCZGHZLFIYMDFR-AREMUKBSSA-N 0 3 382.530 0.936 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426113573 1196418160 /nfs/dbraw/zinc/41/81/60/1196418160.db2.gz 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ZINC000523069809 1196454291 /nfs/dbraw/zinc/45/42/91/1196454291.db2.gz XQDPKKIIHQAHFY-UHFFFAOYSA-N 0 3 394.447 0.695 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCC3(O)CCC3)cc21 ZINC000523073368 1196454830 /nfs/dbraw/zinc/45/48/30/1196454830.db2.gz IXQAXGZBABCOOX-UHFFFAOYSA-N 0 3 376.413 0.126 20 0 GCADHN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000475559501 1196466427 /nfs/dbraw/zinc/46/64/27/1196466427.db2.gz PDQPVHPDVDYTNB-UHFFFAOYSA-N 0 3 377.489 0.768 20 0 GCADHN O=C(CCN1CCC[C@@H]1[C@H](O)C(F)(F)F)N1CCN(c2ncccn2)CC1 ZINC000110115889 1196487529 /nfs/dbraw/zinc/48/75/29/1196487529.db2.gz RZFSGWBOGPLPHV-HIFRSBDPSA-N 0 3 387.406 0.903 20 0 GCADHN C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000111221282 1196490734 /nfs/dbraw/zinc/49/07/34/1196490734.db2.gz UXXOKMXJIKCRJJ-KGLIPLIRSA-N 0 3 378.498 0.618 20 0 GCADHN CCCn1c(N)c(C(=O)CN2CCN(C3CCC(C)CC3)CC2)c(=O)[nH]c1=O ZINC000115568339 1196496602 /nfs/dbraw/zinc/49/66/02/1196496602.db2.gz DRMRVEKCUBLODV-UHFFFAOYSA-N 0 3 391.516 0.908 20 0 GCADHN CCC[C@H](C)N1C[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000487503582 1196499731 /nfs/dbraw/zinc/49/97/31/1196499731.db2.gz RKLMJLHKKOKNSX-DLBZAZTESA-N 0 3 378.517 0.790 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000523210234 1196503223 /nfs/dbraw/zinc/50/32/23/1196503223.db2.gz QUWZEIYEGGFPIL-KRWDZBQOSA-N 0 3 393.532 0.629 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000523210235 1196503411 /nfs/dbraw/zinc/50/34/11/1196503411.db2.gz QUWZEIYEGGFPIL-QGZVFWFLSA-N 0 3 393.532 0.629 20 0 GCADHN C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N(C)CC1(O)CCOCC1 ZINC000444755835 1196519956 /nfs/dbraw/zinc/51/99/56/1196519956.db2.gz ZEHDSTOYEWCWDW-ZDUSSCGKSA-N 0 3 393.440 0.968 20 0 GCADHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N[C@H](CO)CN1CCCCC1)C2=O ZINC000665886545 1196520614 /nfs/dbraw/zinc/52/06/14/1196520614.db2.gz HCTDAJCWNKWZLD-MGPUTAFESA-N 0 3 394.516 0.840 20 0 GCADHN C[C@H](CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000523431148 1196523376 /nfs/dbraw/zinc/52/33/76/1196523376.db2.gz YGRWQSLDRMQCGJ-SJORKVTESA-N 0 3 383.537 0.197 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)NCCCN1CCC[C@H]1C(N)=O)N(C)C ZINC000523452323 1196524889 /nfs/dbraw/zinc/52/48/89/1196524889.db2.gz JPHDCPUBTVUXCA-IRXDYDNUSA-N 0 3 391.516 0.937 20 0 GCADHN Cn1cc(S(=O)(=O)NCC(=O)N(CCN2CCCC2)c2ccccc2)cn1 ZINC000523537499 1196531685 /nfs/dbraw/zinc/53/16/85/1196531685.db2.gz UBKAWMWBZLSTSI-UHFFFAOYSA-N 0 3 391.497 0.827 20 0 GCADHN CC[N@H+](CCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)C1CC1 ZINC000523613309 1196537050 /nfs/dbraw/zinc/53/70/50/1196537050.db2.gz MNAGRXFCEJKCCR-UHFFFAOYSA-N 0 3 377.489 0.860 20 0 GCADHN CC[N@@H+](CCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)C1CC1 ZINC000523613309 1196537052 /nfs/dbraw/zinc/53/70/52/1196537052.db2.gz MNAGRXFCEJKCCR-UHFFFAOYSA-N 0 3 377.489 0.860 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)CCc2ccc3c(c2)CCO3)C1 ZINC000445057685 1196539457 /nfs/dbraw/zinc/53/94/57/1196539457.db2.gz IGASFXGOJQKBOY-QGZVFWFLSA-N 0 3 395.525 0.671 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000665893730 1196548534 /nfs/dbraw/zinc/54/85/34/1196548534.db2.gz HRYOGKDWVTVQSJ-UHFFFAOYSA-N 0 3 384.502 0.715 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F)CN1CCN(C)CC1 ZINC000445110561 1196549221 /nfs/dbraw/zinc/54/92/21/1196549221.db2.gz XFXPTYOGZFYKTH-LLVKDONJSA-N 0 3 390.410 0.377 20 0 GCADHN CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000524035011 1196572981 /nfs/dbraw/zinc/57/29/81/1196572981.db2.gz MDMHLDKKYSANIL-ZDUSSCGKSA-N 0 3 393.463 0.722 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000631762513 1196585953 /nfs/dbraw/zinc/58/59/53/1196585953.db2.gz FXJPRWUUNNJCHG-UHFFFAOYSA-N 0 3 394.541 0.475 20 0 GCADHN COCCN(C)CCOc1cccc(CNS(=O)(=O)N2CCOCC2)c1 ZINC000524336673 1196588605 /nfs/dbraw/zinc/58/86/05/1196588605.db2.gz AHKGHFQWVOOCQU-UHFFFAOYSA-N 0 3 387.502 0.310 20 0 GCADHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000445768551 1196589008 /nfs/dbraw/zinc/58/90/08/1196589008.db2.gz WTSFWLNUSWZBFB-BBWFWOEESA-N 0 3 399.557 0.969 20 0 GCADHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000445768568 1196589305 /nfs/dbraw/zinc/58/93/05/1196589305.db2.gz WTSFWLNUSWZBFB-GVDBMIGSSA-N 0 3 399.557 0.969 20 0 GCADHN C[C@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)CN1CCN(C)CC1 ZINC000524416897 1196593697 /nfs/dbraw/zinc/59/36/97/1196593697.db2.gz PPKSKPHONRASPY-OAHLLOKOSA-N 0 3 383.496 0.956 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000524473627 1196598646 /nfs/dbraw/zinc/59/86/46/1196598646.db2.gz XZULUZOJQKNDII-ZACQAIPSSA-N 0 3 395.548 0.875 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000445919328 1196599196 /nfs/dbraw/zinc/59/91/96/1196599196.db2.gz NIWHOSHJIVSVBW-UHFFFAOYSA-N 0 3 396.513 0.820 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1)Cc1ccccc1 ZINC000897344299 1196600729 /nfs/dbraw/zinc/60/07/29/1196600729.db2.gz NFXHJEZIZNQMCR-MSOLQXFVSA-N 0 3 386.496 0.403 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)[C@@H]1CCCOC1 ZINC000897344267 1196600936 /nfs/dbraw/zinc/60/09/36/1196600936.db2.gz MKFALUXIJZLNOJ-QYZOEREBSA-N 0 3 391.512 0.833 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000508553602 1196610566 /nfs/dbraw/zinc/61/05/66/1196610566.db2.gz ASXKQTBRWBPDRQ-HOCLYGCPSA-N 0 3 379.505 0.239 20 0 GCADHN CN(C)[C@H](CNC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000524771511 1196623353 /nfs/dbraw/zinc/62/33/53/1196623353.db2.gz HAHNKYIVJRQVDL-MRXNPFEDSA-N 0 3 383.452 0.458 20 0 GCADHN COC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000524811891 1196629241 /nfs/dbraw/zinc/62/92/41/1196629241.db2.gz RZFITGBMZOHSTJ-HNNXBMFYSA-N 0 3 399.488 0.627 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000446256618 1196629407 /nfs/dbraw/zinc/62/94/07/1196629407.db2.gz BNNFCNVYDSPYJH-HGHGUNKESA-N 0 3 392.544 0.676 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446273774 1196629932 /nfs/dbraw/zinc/62/99/32/1196629932.db2.gz CLKNCGDPEVWYNK-OXFYSEKESA-N 0 3 380.533 0.626 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000446291054 1196631413 /nfs/dbraw/zinc/63/14/13/1196631413.db2.gz GJDPFDVPVCLIIQ-QXGSTGNESA-N 0 3 383.558 0.843 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000446291053 1196631443 /nfs/dbraw/zinc/63/14/43/1196631443.db2.gz GJDPFDVPVCLIIQ-QGWWYQLQSA-N 0 3 383.558 0.843 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000446291052 1196631638 /nfs/dbraw/zinc/63/16/38/1196631638.db2.gz GJDPFDVPVCLIIQ-OSGQAZFXSA-N 0 3 383.558 0.843 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000446360286 1196636623 /nfs/dbraw/zinc/63/66/23/1196636623.db2.gz QRCQYSLPKMDBJA-LZJOCLMNSA-N 0 3 392.544 0.579 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000446370782 1196638601 /nfs/dbraw/zinc/63/86/01/1196638601.db2.gz UEQYNNBFMJNGHN-CSODHUTKSA-N 0 3 386.496 0.967 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000446378260 1196638835 /nfs/dbraw/zinc/63/88/35/1196638835.db2.gz ZXFIOWYXKBXTHO-JOQOYGCGSA-N 0 3 394.497 0.724 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000446377461 1196639111 /nfs/dbraw/zinc/63/91/11/1196639111.db2.gz RWTIBINZVZWJRL-URKNILKWSA-N 0 3 385.472 0.305 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446383792 1196639126 /nfs/dbraw/zinc/63/91/26/1196639126.db2.gz JZZKOZZWWZBWSA-RVKKMQEKSA-N 0 3 387.546 0.839 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000446545532 1196649533 /nfs/dbraw/zinc/64/95/33/1196649533.db2.gz DGYCZBAUDRJQLD-NSHDSACASA-N 0 3 391.394 0.947 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000446578296 1196651379 /nfs/dbraw/zinc/65/13/79/1196651379.db2.gz QIIUONZNEAIWRV-CYBMUJFWSA-N 0 3 383.474 0.270 20 0 GCADHN Cc1c(S(=O)(=O)NCCCCN2CCN(C)CC2)cnn1-c1ccccn1 ZINC000525186063 1196654881 /nfs/dbraw/zinc/65/48/81/1196654881.db2.gz IXQFYAPOAIHCKN-UHFFFAOYSA-N 0 3 392.529 0.882 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](O)COc2ccccc2)CC1 ZINC000525305531 1196666881 /nfs/dbraw/zinc/66/68/81/1196666881.db2.gz LFZTYUVNJWOIMD-MSOLQXFVSA-N 0 3 378.517 0.999 20 0 GCADHN CN(C)[C@@H](CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)Cc1ccccc1 ZINC000487524714 1196668298 /nfs/dbraw/zinc/66/82/98/1196668298.db2.gz YIUSCGFZQFDCNR-IAGOWNOFSA-N 0 3 382.530 0.835 20 0 GCADHN CCOC(=O)C1(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)Cc2ccccc2C1 ZINC000525334971 1196670706 /nfs/dbraw/zinc/67/07/06/1196670706.db2.gz MJVFBMQHIYJTFX-QGZVFWFLSA-N 0 3 387.480 0.613 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(-n2cccn2)c1)CN1CCN(C)CC1 ZINC000525323544 1196672718 /nfs/dbraw/zinc/67/27/18/1196672718.db2.gz LKQZHRANCRHVGA-INIZCTEOSA-N 0 3 384.484 0.811 20 0 GCADHN CCn1nccc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000446815358 1196673149 /nfs/dbraw/zinc/67/31/49/1196673149.db2.gz SYMSTGAQRJDRHP-DLBZAZTESA-N 0 3 385.468 0.841 20 0 GCADHN CCn1nccc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000446815360 1196673162 /nfs/dbraw/zinc/67/31/62/1196673162.db2.gz SYMSTGAQRJDRHP-IRXDYDNUSA-N 0 3 385.468 0.841 20 0 GCADHN CCN1CC[C@H](N(C)S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@@H]1C ZINC000525387123 1196676549 /nfs/dbraw/zinc/67/65/49/1196676549.db2.gz XTPNKAAWVLSCAC-RYUDHWBXSA-N 0 3 395.485 0.527 20 0 GCADHN COCCN1CCN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000193287957 1196677017 /nfs/dbraw/zinc/67/70/17/1196677017.db2.gz MLYYFGGEALCPTA-UHFFFAOYSA-N 0 3 389.544 0.908 20 0 GCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000360271278 1196684211 /nfs/dbraw/zinc/68/42/11/1196684211.db2.gz PKFCMQCHMMNGLU-CABCVRRESA-N 0 3 381.498 0.886 20 0 GCADHN COC(=O)[C@@](C)(CN[C@@H](C)C(=O)N1CCN(C(C)=O)CC1)c1ccc(F)cc1 ZINC000447025330 1196688628 /nfs/dbraw/zinc/68/86/28/1196688628.db2.gz CATMNRPOUUJVKZ-XOBRGWDASA-N 0 3 393.459 0.925 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)NCc1ccc2c(c1)OCO2 ZINC000429701371 1196693646 /nfs/dbraw/zinc/69/36/46/1196693646.db2.gz KPJBXQWBGVWSOR-KGLIPLIRSA-N 0 3 383.470 0.482 20 0 GCADHN COc1ccc(F)c(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000447154173 1196696492 /nfs/dbraw/zinc/69/64/92/1196696492.db2.gz HYSJGRAUCVYPQV-UHFFFAOYSA-N 0 3 396.463 0.279 20 0 GCADHN O=C(Cc1ccccc1)NCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000487528946 1196718025 /nfs/dbraw/zinc/71/80/25/1196718025.db2.gz MRYWPMFGYAUDFG-UHFFFAOYSA-N 0 3 386.496 0.502 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)cc1S(N)(=O)=O ZINC000447425874 1196719760 /nfs/dbraw/zinc/71/97/60/1196719760.db2.gz IRDMSLUINWHKMK-UHFFFAOYSA-N 0 3 396.513 0.819 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCOC[C@H]1C[C@H](C)O ZINC000526854385 1196748047 /nfs/dbraw/zinc/74/80/47/1196748047.db2.gz IIJUSCVQKIPOCV-DZGCQCFKSA-N 0 3 379.457 0.694 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000526854400 1196748101 /nfs/dbraw/zinc/74/81/01/1196748101.db2.gz IIJUSCVQKIPOCV-UKRRQHHQSA-N 0 3 379.457 0.694 20 0 GCADHN C[C@H]1CN(C(=O)CN(C)C2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CCO1 ZINC000985665082 1196748829 /nfs/dbraw/zinc/74/88/29/1196748829.db2.gz SIPLXFMWXOHJEI-HPBDAGMYSA-N 0 3 379.501 0.724 20 0 GCADHN C[C@H](O)C[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000447829554 1196752495 /nfs/dbraw/zinc/75/24/95/1196752495.db2.gz GVXNRQIZXNBONZ-DLBZAZTESA-N 0 3 382.549 0.671 20 0 GCADHN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN[C@@H](CO)[C@H]3CCCO3)CC2)C1 ZINC000447905981 1196756136 /nfs/dbraw/zinc/75/61/36/1196756136.db2.gz NRPBPBLUMDXWPT-BPQIPLTHSA-N 0 3 381.517 0.613 20 0 GCADHN Cc1cc(N2CCN(C(=O)CN[C@@H](CO)[C@H]3CCCO3)CC2)nc(C(C)C)n1 ZINC000447907683 1196756182 /nfs/dbraw/zinc/75/61/82/1196756182.db2.gz ALGUWRASAFCATE-DLBZAZTESA-N 0 3 391.516 0.687 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)CN[C@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447908093 1196756229 /nfs/dbraw/zinc/75/62/29/1196756229.db2.gz UEZFDQXTXXPRJM-UXHICEINSA-N 0 3 391.512 0.859 20 0 GCADHN O=C(CN[C@H](CO)[C@@H]1CCCO1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000447920016 1196758638 /nfs/dbraw/zinc/75/86/38/1196758638.db2.gz WOKXTCQCRKTVSM-SJORKVTESA-N 0 3 376.457 0.492 20 0 GCADHN C[C@@H](NC1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)c1nnnn1C ZINC001271926005 1196759103 /nfs/dbraw/zinc/75/91/03/1196759103.db2.gz XJBYRAAELHENGB-MIGQKNRLSA-N 0 3 377.493 0.009 20 0 GCADHN C[C@H](N[C@H](CO)[C@@H]1CCCO1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000447900411 1196759526 /nfs/dbraw/zinc/75/95/26/1196759526.db2.gz BXXXBHWKEATFOE-YUTCNCBUSA-N 0 3 379.413 0.624 20 0 GCADHN O=C(CN[C@@H](CO)[C@@H]1CCCO1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000447925761 1196760710 /nfs/dbraw/zinc/76/07/10/1196760710.db2.gz ZVWLLPLDLODNGN-ROUUACIJSA-N 0 3 375.469 0.537 20 0 GCADHN COCCNC(=O)Cn1cc(NC(=O)NC[C@H]2N(C)CCCC2(C)C)cn1 ZINC000448000042 1196765291 /nfs/dbraw/zinc/76/52/91/1196765291.db2.gz OHBGBKBHAAYRAO-OAHLLOKOSA-N 0 3 380.493 0.888 20 0 GCADHN Cc1cc(N2CCC(NC(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)n[nH]1 ZINC000527121274 1196767395 /nfs/dbraw/zinc/76/73/95/1196767395.db2.gz TWVCXPILEVATKR-OAHLLOKOSA-N 0 3 377.537 0.870 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000448029151 1196769598 /nfs/dbraw/zinc/76/95/98/1196769598.db2.gz GDPSVFMGWZBKGS-QGZVFWFLSA-N 0 3 395.548 0.293 20 0 GCADHN O=C(CN[C@H]1CCCCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCC1 ZINC001088351867 1196770936 /nfs/dbraw/zinc/77/09/36/1196770936.db2.gz NNUJJWKIAKSCKV-LSTDLKDCSA-N 0 3 379.501 0.631 20 0 GCADHN O=C(CN[C@H]1CCCCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCOCC1 ZINC001088350822 1196771556 /nfs/dbraw/zinc/77/15/56/1196771556.db2.gz JDIJUHLFBZVXKF-UQZKUAJDSA-N 0 3 391.512 0.629 20 0 GCADHN CS(=O)(=O)C1(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000527451918 1196785817 /nfs/dbraw/zinc/78/58/17/1196785817.db2.gz SIVGWUMXHMLVLA-UHFFFAOYSA-N 0 3 393.509 0.706 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000527438702 1196787215 /nfs/dbraw/zinc/78/72/15/1196787215.db2.gz CXWMFPMVBOKCRQ-KGLIPLIRSA-N 0 3 376.457 0.856 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(-n2cnnn2)c1C ZINC000527438888 1196787599 /nfs/dbraw/zinc/78/75/99/1196787599.db2.gz CQRWCUBVEGCDHN-CABCVRRESA-N 0 3 383.456 0.994 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448320404 1196792313 /nfs/dbraw/zinc/79/23/13/1196792313.db2.gz UQEJSYUZXPAMRP-CYBMUJFWSA-N 0 3 379.461 0.772 20 0 GCADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000528047206 1196830542 /nfs/dbraw/zinc/83/05/42/1196830542.db2.gz LXMROTVLTAZQFG-SNVBAGLBSA-N 0 3 393.395 0.515 20 0 GCADHN COCCn1cc(N2C[C@@H](C(=O)N(CCN(C)C)CC(C)C)CC2=O)cn1 ZINC000448910236 1196841035 /nfs/dbraw/zinc/84/10/35/1196841035.db2.gz KVXIZEGRLDXFJS-INIZCTEOSA-N 0 3 379.505 0.929 20 0 GCADHN CN1c2cc(C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)ccc2OCC1=O ZINC000528350386 1196851341 /nfs/dbraw/zinc/85/13/41/1196851341.db2.gz BLCYJYAQXFKFBN-HNNXBMFYSA-N 0 3 386.452 0.596 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000528535729 1196866136 /nfs/dbraw/zinc/86/61/36/1196866136.db2.gz DIIIFIIGGJKINC-UHFFFAOYSA-N 0 3 396.513 0.107 20 0 GCADHN O=C1CNC(=O)N1CCN1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528715582 1196880282 /nfs/dbraw/zinc/88/02/82/1196880282.db2.gz LVQMXFHALBHZBH-UHFFFAOYSA-N 0 3 377.445 0.770 20 0 GCADHN CS(=O)(=O)CCN1CCC(NC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528712129 1196880488 /nfs/dbraw/zinc/88/04/88/1196880488.db2.gz BROIWRZZZXEPSF-UHFFFAOYSA-N 0 3 396.513 0.799 20 0 GCADHN C[C@]1(CO)CN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C[C@@]1(C)CO ZINC000528747384 1196886034 /nfs/dbraw/zinc/88/60/34/1196886034.db2.gz JUVAIEQOQGAJPX-ZYSHUDEJSA-N 0 3 377.441 0.177 20 0 GCADHN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000119258948 1196887549 /nfs/dbraw/zinc/88/75/49/1196887549.db2.gz OUDAFWMGMUUKFM-KDOFPFPSSA-N 0 3 390.532 0.916 20 0 GCADHN CCN1CCN(C[C@H](C)CN2C(=O)NC3(CCC(C(=O)OC)CC3)C2=O)CC1 ZINC000349396165 1196890107 /nfs/dbraw/zinc/89/01/07/1196890107.db2.gz IQMYMVDTAABQGK-SHPPYHEDSA-N 0 3 394.516 0.914 20 0 GCADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000528857955 1196890864 /nfs/dbraw/zinc/89/08/64/1196890864.db2.gz PUAIXVABMCPKLC-INIZCTEOSA-N 0 3 383.514 0.954 20 0 GCADHN CN1CCC(CCO)(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000528978150 1196897104 /nfs/dbraw/zinc/89/71/04/1196897104.db2.gz IPHWBFSEERVYON-UHFFFAOYSA-N 0 3 375.469 0.736 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529058065 1196901983 /nfs/dbraw/zinc/90/19/83/1196901983.db2.gz VCAHHVZDOUAFGJ-QGZVFWFLSA-N 0 3 388.512 0.915 20 0 GCADHN CN1CCN(CCNC(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1(C)C ZINC000529272282 1196910988 /nfs/dbraw/zinc/91/09/88/1196910988.db2.gz SBSABKVSYJFRKS-UHFFFAOYSA-N 0 3 388.512 0.915 20 0 GCADHN Cc1c(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)nnn1-c1cnn(C)c1 ZINC000450122024 1196912838 /nfs/dbraw/zinc/91/28/38/1196912838.db2.gz MEMLBDREQYJMDH-ZIAGYGMSSA-N 0 3 375.477 0.928 20 0 GCADHN COc1cc(CN2CC[C@H](NC(=O)NC[C@H]3COCCN3)C2)cc(OC)c1 ZINC000529318634 1196914839 /nfs/dbraw/zinc/91/48/39/1196914839.db2.gz XQTDIGSLQJPIND-HOTGVXAUSA-N 0 3 378.473 0.566 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCc3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000529352104 1196917478 /nfs/dbraw/zinc/91/74/78/1196917478.db2.gz VYTUBGORIISHGG-NEPJUHHUSA-N 0 3 382.367 0.504 20 0 GCADHN Cn1c(=O)c2cc(C(=O)NC[C@H]3CCN3C3CCCCC3)cnc2n(C)c1=O ZINC000529719346 1196930970 /nfs/dbraw/zinc/93/09/70/1196930970.db2.gz MAPFYIDPODQUNH-OAHLLOKOSA-N 0 3 385.468 0.769 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000530027205 1196958151 /nfs/dbraw/zinc/95/81/51/1196958151.db2.gz OQOAXLMJZGRDQD-HNNXBMFYSA-N 0 3 396.513 0.782 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)CCOCc2ccccc2)C1 ZINC000451160294 1196975764 /nfs/dbraw/zinc/97/57/64/1196975764.db2.gz UQLCYBZHFGCSLF-QGZVFWFLSA-N 0 3 383.514 0.710 20 0 GCADHN CCOC(=O)CC1(S(=O)(=O)N2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC000451162829 1196977288 /nfs/dbraw/zinc/97/72/88/1196977288.db2.gz AITJJIPJSMQHDO-UHFFFAOYSA-N 0 3 389.518 0.288 20 0 GCADHN CN(C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCC1 ZINC001719904732 1196978189 /nfs/dbraw/zinc/97/81/89/1196978189.db2.gz POUVSQCCUNVCDR-JKJDWNRSSA-N 0 3 376.501 0.620 20 0 GCADHN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CN2CCN1CCC2 ZINC000530350949 1196980726 /nfs/dbraw/zinc/98/07/26/1196980726.db2.gz SDUCYFHZYDQYAF-ROUUACIJSA-N 0 3 392.450 0.962 20 0 GCADHN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@H]1CN2CCN1CCC2 ZINC000530350950 1196980772 /nfs/dbraw/zinc/98/07/72/1196980772.db2.gz SDUCYFHZYDQYAF-ZWKOTPCHSA-N 0 3 392.450 0.962 20 0 GCADHN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)CN3CCCC3)CC1)OCO2 ZINC000530428983 1196987184 /nfs/dbraw/zinc/98/71/84/1196987184.db2.gz YSPIHZCRHCZRRC-UHFFFAOYSA-N 0 3 395.481 0.652 20 0 GCADHN CO[C@@H]1C[C@H](NCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000451498765 1196995826 /nfs/dbraw/zinc/99/58/26/1196995826.db2.gz NECBZGGQRYBNLN-YHUYYLMFSA-N 0 3 388.530 0.584 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)CC1=O ZINC000530571940 1196997262 /nfs/dbraw/zinc/99/72/62/1196997262.db2.gz DOSBTUUOPSJETL-CYBMUJFWSA-N 0 3 392.422 0.314 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@H]3CCCN3C)cn2)C[C@@H](C)O1 ZINC000530630594 1197000699 /nfs/dbraw/zinc/00/06/99/1197000699.db2.gz BPVVKVRSRHLCFG-IIAWOOMASA-N 0 3 378.477 0.735 20 0 GCADHN C[C@](O)(CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)CN1CCOCC1 ZINC000530647848 1197001651 /nfs/dbraw/zinc/00/16/51/1197001651.db2.gz HYQTVIAUKWKIMP-ICSRJNTNSA-N 0 3 376.501 0.493 20 0 GCADHN C[C@](O)(CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)CN1CCOCC1 ZINC000530647849 1197001910 /nfs/dbraw/zinc/00/19/10/1197001910.db2.gz HYQTVIAUKWKIMP-QUCCMNQESA-N 0 3 376.501 0.493 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000530682377 1197005903 /nfs/dbraw/zinc/00/59/03/1197005903.db2.gz OPLPEYSOVRUXTN-LBPRGKRZSA-N 0 3 382.486 0.300 20 0 GCADHN C[C@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CCN(Cc2ccccc2)C1 ZINC000451702626 1197009410 /nfs/dbraw/zinc/00/94/10/1197009410.db2.gz CKBDVPKVTCUKID-OAHLLOKOSA-N 0 3 399.495 0.303 20 0 GCADHN CC[C@H]1CN(CC)CCN1Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000451727660 1197010968 /nfs/dbraw/zinc/01/09/68/1197010968.db2.gz BOPKRAIYPPXJGO-AWEZNQCLSA-N 0 3 378.502 0.982 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)N2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000530735143 1197013982 /nfs/dbraw/zinc/01/39/82/1197013982.db2.gz MMXDXHLGSUBDCI-ROUUACIJSA-N 0 3 398.573 0.983 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 ZINC000530762615 1197014657 /nfs/dbraw/zinc/01/46/57/1197014657.db2.gz MXIKEKNCAXOUPS-UHFFFAOYSA-N 0 3 393.469 0.728 20 0 GCADHN CCN1CCN(CCC(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000530802998 1197017564 /nfs/dbraw/zinc/01/75/64/1197017564.db2.gz LFZMYSUBGNFMIW-GOSISDBHSA-N 0 3 379.549 0.169 20 0 GCADHN C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000530818552 1197019271 /nfs/dbraw/zinc/01/92/71/1197019271.db2.gz JROHMMLNFDAKBF-OCCSQVGLSA-N 0 3 382.486 0.260 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000530842958 1197022520 /nfs/dbraw/zinc/02/25/20/1197022520.db2.gz FOQZNNHWDKUUKS-ZDUSSCGKSA-N 0 3 387.440 0.135 20 0 GCADHN CN(C)C(=O)N[C@@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000451994528 1197032391 /nfs/dbraw/zinc/03/23/91/1197032391.db2.gz NYLVGOMNAOZRAE-MRXNPFEDSA-N 0 3 389.504 0.251 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000531044321 1197041750 /nfs/dbraw/zinc/04/17/50/1197041750.db2.gz AGQBSJHLZKKJGH-CQSZACIVSA-N 0 3 394.497 0.623 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2F)CC1 ZINC000531159645 1197051189 /nfs/dbraw/zinc/05/11/89/1197051189.db2.gz BDTCUQJJJMDJKO-CYBMUJFWSA-N 0 3 394.447 0.693 20 0 GCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000452345301 1197053001 /nfs/dbraw/zinc/05/30/01/1197053001.db2.gz DVMIYJYEECSALP-HNNXBMFYSA-N 0 3 383.514 0.870 20 0 GCADHN COc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1S(=O)(=O)N(C)C ZINC000452354707 1197053942 /nfs/dbraw/zinc/05/39/42/1197053942.db2.gz WFNCZNYANIOZCT-OAHLLOKOSA-N 0 3 399.513 0.522 20 0 GCADHN CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000531210145 1197053979 /nfs/dbraw/zinc/05/39/79/1197053979.db2.gz HLXIKSFZVQZDDG-CYBMUJFWSA-N 0 3 378.498 0.467 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000452384849 1197055640 /nfs/dbraw/zinc/05/56/40/1197055640.db2.gz SBSXCAWGIQUKLE-KZNAEPCWSA-N 0 3 379.501 0.391 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000452371482 1197057151 /nfs/dbraw/zinc/05/71/51/1197057151.db2.gz AHSGCDWDNCDTEP-MRXNPFEDSA-N 0 3 381.498 0.803 20 0 GCADHN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N[C@H]1CCCN(CCCO)C1)C2=O ZINC000452380506 1197058891 /nfs/dbraw/zinc/05/88/91/1197058891.db2.gz GXWNWOLYZBLNQR-QOIOWGMHSA-N 0 3 394.516 0.696 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CC[C@@H](C)C2)c2ccccc2O1 ZINC000531283578 1197062566 /nfs/dbraw/zinc/06/25/66/1197062566.db2.gz VEFNGWOKTJUWAX-CJNGLKHVSA-N 0 3 375.425 0.412 20 0 GCADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000531395770 1197071144 /nfs/dbraw/zinc/07/11/44/1197071144.db2.gz VLAXIDHRQRFQQI-DLBZAZTESA-N 0 3 380.514 0.834 20 0 GCADHN Cc1cccc2c1N(C(=O)C(=O)NCCCCN1CCN(CCO)CC1)CC2 ZINC000531449243 1197076225 /nfs/dbraw/zinc/07/62/25/1197076225.db2.gz WEAPXSKPOYVUPS-UHFFFAOYSA-N 0 3 388.512 0.390 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC(=O)Nc1ccccc1 ZINC000531482966 1197078182 /nfs/dbraw/zinc/07/81/82/1197078182.db2.gz DBDQNRZAFBIJII-INIZCTEOSA-N 0 3 375.473 0.867 20 0 GCADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452782264 1197081154 /nfs/dbraw/zinc/08/11/54/1197081154.db2.gz JXMDTIURHBPRJO-ZWKOTPCHSA-N 0 3 390.463 0.867 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O)N1CCCC1 ZINC000531559365 1197084693 /nfs/dbraw/zinc/08/46/93/1197084693.db2.gz OGVOERXAMPLZIX-ZDUSSCGKSA-N 0 3 382.486 0.621 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375473753 1197087910 /nfs/dbraw/zinc/08/79/10/1197087910.db2.gz WSIGWIYEDNANKC-LJQANCHMSA-N 0 3 394.520 0.963 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)CC1 ZINC000531731309 1197093763 /nfs/dbraw/zinc/09/37/63/1197093763.db2.gz SMZKOAQNCYXXTO-GOSISDBHSA-N 0 3 397.479 0.505 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000531834902 1197099016 /nfs/dbraw/zinc/09/90/16/1197099016.db2.gz OAWNGLJFVHMTSE-CQSZACIVSA-N 0 3 389.518 0.144 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000531832641 1197100189 /nfs/dbraw/zinc/10/01/89/1197100189.db2.gz HULIGMMWLNPFMT-ULQDDVLXSA-N 0 3 388.578 0.577 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000531832640 1197100386 /nfs/dbraw/zinc/10/03/86/1197100386.db2.gz HULIGMMWLNPFMT-GVDBMIGSSA-N 0 3 388.578 0.577 20 0 GCADHN CCCN(CCN(C)C)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000531964330 1197105063 /nfs/dbraw/zinc/10/50/63/1197105063.db2.gz CFOVIAMFVAPICT-UHFFFAOYSA-N 0 3 384.458 0.042 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c1C ZINC000531978418 1197105857 /nfs/dbraw/zinc/10/58/57/1197105857.db2.gz GHWPCJQOUYZBRX-GFCCVEGCSA-N 0 3 382.486 0.300 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NC[C@]3(C)CCCO3)ccc2oc1=O ZINC000532039599 1197108790 /nfs/dbraw/zinc/10/87/90/1197108790.db2.gz ODICIUMGLZPMEO-IBGZPJMESA-N 0 3 390.440 0.780 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532077737 1197112043 /nfs/dbraw/zinc/11/20/43/1197112043.db2.gz LVRJGFGRBKVXIY-KBXCAEBGSA-N 0 3 393.509 0.920 20 0 GCADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000532097723 1197113578 /nfs/dbraw/zinc/11/35/78/1197113578.db2.gz KESIPIBDKHGJAN-FUHWJXTLSA-N 0 3 394.541 0.515 20 0 GCADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@@H]2CNC(=O)C2)CC1 ZINC000453700508 1197123700 /nfs/dbraw/zinc/12/37/00/1197123700.db2.gz AHRGIIHTOOGPQX-LBPRGKRZSA-N 0 3 394.859 0.756 20 0 GCADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)C(=O)N(CCO)CCO)CC1 ZINC000453711021 1197124531 /nfs/dbraw/zinc/12/45/31/1197124531.db2.gz GHAOYRGDZZAULQ-UHFFFAOYSA-N 0 3 399.875 0.565 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)n1 ZINC000453736016 1197126924 /nfs/dbraw/zinc/12/69/24/1197126924.db2.gz LGGPWOGXBIQTNG-OAHLLOKOSA-N 0 3 379.505 1.403 20 0 GCADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cn1 ZINC000532233845 1197130479 /nfs/dbraw/zinc/13/04/79/1197130479.db2.gz RXBQUQIXRKGOHC-CYBMUJFWSA-N 0 3 379.461 0.578 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000453757777 1197131397 /nfs/dbraw/zinc/13/13/97/1197131397.db2.gz GQSQMCDMOZFNRE-YQQAZPJKSA-N 0 3 391.516 1.355 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1ccnn1Cc1ccccc1 ZINC000453802729 1197137883 /nfs/dbraw/zinc/13/78/83/1197137883.db2.gz DQQNRFOCYBTCOA-QGZVFWFLSA-N 0 3 385.468 0.833 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000453803160 1197137900 /nfs/dbraw/zinc/13/79/00/1197137900.db2.gz FLDVLMJMGFTLFW-HNNXBMFYSA-N 0 3 389.431 0.913 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000453803162 1197138144 /nfs/dbraw/zinc/13/81/44/1197138144.db2.gz FLDVLMJMGFTLFW-OAHLLOKOSA-N 0 3 389.431 0.913 20 0 GCADHN CCOC(=O)c1ccsc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453805496 1197138769 /nfs/dbraw/zinc/13/87/69/1197138769.db2.gz LNQQKPKARHTAGU-GFCCVEGCSA-N 0 3 383.470 0.826 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000453805502 1197138773 /nfs/dbraw/zinc/13/87/73/1197138773.db2.gz LPEYAQJDFZYBGR-SFHVURJKSA-N 0 3 385.468 0.833 20 0 GCADHN CCOC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000453808086 1197138793 /nfs/dbraw/zinc/13/87/93/1197138793.db2.gz QHLBVDDGGYMQQQ-MRXNPFEDSA-N 0 3 377.441 0.765 20 0 GCADHN Cc1nc(-c2ccc(NC(=O)C(=O)NC[C@H]3CCCN3CCCO)cc2)n[nH]1 ZINC000453808728 1197139743 /nfs/dbraw/zinc/13/97/43/1197139743.db2.gz SLASYMCSZHYMPG-MRXNPFEDSA-N 0 3 386.456 0.682 20 0 GCADHN COC(=O)c1c(C)csc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453810114 1197140084 /nfs/dbraw/zinc/14/00/84/1197140084.db2.gz WMRZVAQDDMLPON-LBPRGKRZSA-N 0 3 383.470 0.745 20 0 GCADHN CN(C)c1nc2ccc(NC(=O)C(=O)NC[C@@H]3CCCN3CCCO)cc2o1 ZINC000453809740 1197140209 /nfs/dbraw/zinc/14/02/09/1197140209.db2.gz VSCSBKQXPTXGJI-AWEZNQCLSA-N 0 3 389.456 0.795 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cnn(-c4cnc5ccccc5n4)c3)C[C@@H]21 ZINC000453914286 1197151569 /nfs/dbraw/zinc/15/15/69/1197151569.db2.gz HRFVVSQMVQKAQX-DYVFJYSZSA-N 0 3 391.435 0.917 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000171340442 1197156591 /nfs/dbraw/zinc/15/65/91/1197156591.db2.gz CNLZKCAKXSNYJU-STQMWFEESA-N 0 3 390.406 0.210 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2nnc3n2CCCCC3)CC1 ZINC000171415104 1197157289 /nfs/dbraw/zinc/15/72/89/1197157289.db2.gz VKIVYTMCKZVLQH-UHFFFAOYSA-N 0 3 391.520 0.700 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN3C[C@H](C(N)=O)CC[C@@H]3C)CC2)cc1 ZINC000171925286 1197159068 /nfs/dbraw/zinc/15/90/68/1197159068.db2.gz KEGDWMJYGLHHHI-FUHWJXTLSA-N 0 3 388.512 0.925 20 0 GCADHN O=C(CN1CCC[C@H](CN2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000171962628 1197159222 /nfs/dbraw/zinc/15/92/22/1197159222.db2.gz HWEDDTVFFYBGFN-GOSISDBHSA-N 0 3 388.516 0.169 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC000986258643 1197162010 /nfs/dbraw/zinc/16/20/10/1197162010.db2.gz KQIFDVUYVMHDRZ-TWMKSMIVSA-N 0 3 390.528 0.502 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000262786600 1197162803 /nfs/dbraw/zinc/16/28/03/1197162803.db2.gz MOUPKDZUIDXMIQ-BLLLJJGKSA-N 0 3 397.488 0.900 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1(C)C ZINC000262825351 1197168802 /nfs/dbraw/zinc/16/88/02/1197168802.db2.gz ZPVSAYYKJGWJNP-UZLBHIALSA-N 0 3 380.533 0.676 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1(C)C ZINC000262825349 1197168972 /nfs/dbraw/zinc/16/89/72/1197168972.db2.gz ZPVSAYYKJGWJNP-OXJNMPFZSA-N 0 3 380.533 0.676 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1=O ZINC000174812928 1197182398 /nfs/dbraw/zinc/18/23/98/1197182398.db2.gz PSWRBTOAAALBBX-ZFWWWQNUSA-N 0 3 376.432 0.457 20 0 GCADHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc2n1CCOC2)N(C)C ZINC001719908519 1197186482 /nfs/dbraw/zinc/18/64/82/1197186482.db2.gz HSLAVZRKZVZSOF-TUVASFSCSA-N 0 3 375.473 0.615 20 0 GCADHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)C1CCCC1)N(C)C ZINC001719908632 1197187654 /nfs/dbraw/zinc/18/76/54/1197187654.db2.gz MRSPTTZSYUGSBR-VQHPVUNQSA-N 0 3 378.517 0.881 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC(=O)N[C@H](C)C3)c2)CC1 ZINC000453924444 1197188886 /nfs/dbraw/zinc/18/88/86/1197188886.db2.gz 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COC(=O)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000453927640 1197213345 /nfs/dbraw/zinc/21/33/45/1197213345.db2.gz KUWLQGIMBVKIJS-XJKSGUPXSA-N 0 3 375.425 0.730 20 0 GCADHN CC1(C)CCN(CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)C1 ZINC000986683066 1197220304 /nfs/dbraw/zinc/22/03/04/1197220304.db2.gz KLCGLHODCLFLRE-QXSJWSMHSA-N 0 3 376.501 0.147 20 0 GCADHN CN(CC(=O)N1CCOCC1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000666153442 1197226907 /nfs/dbraw/zinc/22/69/07/1197226907.db2.gz YVZQQSSHOHTRNE-UHFFFAOYSA-N 0 3 389.500 0.794 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccc(C(N)=O)cc1F ZINC000475792533 1197233759 /nfs/dbraw/zinc/23/37/59/1197233759.db2.gz QEQZBYGKXTZIKQ-OAHLLOKOSA-N 0 3 379.436 0.989 20 0 GCADHN CN(C(=O)CN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1)C1CCCCC1 ZINC000188757583 1197233908 /nfs/dbraw/zinc/23/39/08/1197233908.db2.gz KCNHSNODKKZFNV-UHFFFAOYSA-N 0 3 388.516 0.604 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)CN1CCN(C)CC1 ZINC000189795725 1197238589 /nfs/dbraw/zinc/23/85/89/1197238589.db2.gz OOPILIQHPPJMFR-QRVBRYPASA-N 0 3 392.544 0.427 20 0 GCADHN CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000064022411 1197241645 /nfs/dbraw/zinc/24/16/45/1197241645.db2.gz OVCPAVQXUVZSON-RTBURBONSA-N 0 3 388.512 0.586 20 0 GCADHN CCN1CCO[C@@H](CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)[C@@H]1c1cnn(C)c1 ZINC000666233194 1197248615 /nfs/dbraw/zinc/24/86/15/1197248615.db2.gz KNCAISUJBRUTPC-YSHGAJCASA-N 0 3 390.532 0.918 20 0 GCADHN CC[C@H](CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)N1CCc2ccccc2C1 ZINC000666236389 1197249060 /nfs/dbraw/zinc/24/90/60/1197249060.db2.gz XOTHATDTFWFXBS-QZTJIDSGSA-N 0 3 394.541 0.855 20 0 GCADHN O=C(Nc1cnn(CCN2CCOCC2)c1)NC1CCN([C@H]2CCOC2)CC1 ZINC000666239836 1197250903 /nfs/dbraw/zinc/25/09/03/1197250903.db2.gz OPHMZSMUZAGTIO-SFHVURJKSA-N 0 3 392.504 0.590 20 0 GCADHN CCN1CCN(CCC(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000888125117 1197253590 /nfs/dbraw/zinc/25/35/90/1197253590.db2.gz SNBFMTOBDIIJHT-LJQANCHMSA-N 0 3 384.521 0.502 20 0 GCADHN NS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000666297411 1197258102 /nfs/dbraw/zinc/25/81/02/1197258102.db2.gz LWQWQOFTMCRKMY-DLBZAZTESA-N 0 3 380.514 0.683 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000666317595 1197262205 /nfs/dbraw/zinc/26/22/05/1197262205.db2.gz OCZQVAKLEKTZJG-UHFFFAOYSA-N 0 3 391.394 0.894 20 0 GCADHN O=C(CNC(=O)c1ccc2c(c1)CCC2)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103204352 1197266567 /nfs/dbraw/zinc/26/65/67/1197266567.db2.gz MAVKXCMZOIFDDL-UHFFFAOYSA-N 0 3 398.507 0.672 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000103325732 1197271329 /nfs/dbraw/zinc/27/13/29/1197271329.db2.gz PJZONNONMKAPKX-UHFFFAOYSA-N 0 3 380.395 0.670 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccco2)C1)CN1CCN(C)CC1 ZINC000671172704 1197275540 /nfs/dbraw/zinc/27/55/40/1197275540.db2.gz UVGAKOOUMGUKAU-NVXWUHKLSA-N 0 3 378.473 0.179 20 0 GCADHN CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CCS(=O)(=O)NC ZINC001708542024 1197280092 /nfs/dbraw/zinc/28/00/92/1197280092.db2.gz SRZKFNVFVSTQJN-AWEZNQCLSA-N 0 3 384.550 0.873 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C3CCC3)C2)CC1 ZINC000666500401 1197283532 /nfs/dbraw/zinc/28/35/32/1197283532.db2.gz WBHBQYGGPBBZRI-IRXDYDNUSA-N 0 3 376.501 0.400 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000123768587 1197288127 /nfs/dbraw/zinc/28/81/27/1197288127.db2.gz XGLVMQIVWZFESF-INIZCTEOSA-N 0 3 384.484 0.953 20 0 GCADHN COCC(COC)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000453975430 1197291841 /nfs/dbraw/zinc/29/18/41/1197291841.db2.gz XQEFCPRKMORUCO-UHFFFAOYSA-N 0 3 395.525 0.994 20 0 GCADHN Cc1cc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c2c(=O)[nH]n(C)c2n1 ZINC000104370766 1197296281 /nfs/dbraw/zinc/29/62/81/1197296281.db2.gz FHRBUSOPNFNQML-AWEZNQCLSA-N 0 3 388.472 0.243 20 0 GCADHN C[C@H](O)[C@@H]1CCCCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956740 1197308400 /nfs/dbraw/zinc/30/84/00/1197308400.db2.gz BZHUPIXMTUNWQV-HOCLYGCPSA-N 0 3 387.488 0.247 20 0 GCADHN COC(=O)C1([C@]2(O)CCCN(C(=O)c3ccnn3CCN(C)C)C2)CCC1 ZINC000888209031 1197315025 /nfs/dbraw/zinc/31/50/25/1197315025.db2.gz HLGYOHUWBPVVGQ-IBGZPJMESA-N 0 3 378.473 0.755 20 0 GCADHN COc1cc([C@H](C)NCCNC(=O)c2cnccn2)ccc1S(C)(=O)=O ZINC000532490450 1197317937 /nfs/dbraw/zinc/31/79/37/1197317937.db2.gz HNVUSPYPLAWBAH-LBPRGKRZSA-N 0 3 378.454 0.969 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000532514789 1197321448 /nfs/dbraw/zinc/32/14/48/1197321448.db2.gz RKVKLRZFOZYTDW-WMZOPIPTSA-N 0 3 390.528 0.933 20 0 GCADHN CC[C@@H](NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)C(=O)NC ZINC000454090186 1197322974 /nfs/dbraw/zinc/32/29/74/1197322974.db2.gz JMHRZQNBUNXXMK-QGZVFWFLSA-N 0 3 389.500 0.796 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000454083875 1197324558 /nfs/dbraw/zinc/32/45/58/1197324558.db2.gz DJAZQCCSMCSQLN-OAHLLOKOSA-N 0 3 396.513 0.817 20 0 GCADHN CC[C@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CCN(C)CCOC ZINC001708552615 1197324678 /nfs/dbraw/zinc/32/46/78/1197324678.db2.gz KJCPOVPLUKVCME-LSDHHAIUSA-N 0 3 382.509 0.321 20 0 GCADHN CC[C@@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CCN(C)CCOC ZINC001708552606 1197324756 /nfs/dbraw/zinc/32/47/56/1197324756.db2.gz KJCPOVPLUKVCME-CABCVRRESA-N 0 3 382.509 0.321 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000103150689 1197325470 /nfs/dbraw/zinc/32/54/70/1197325470.db2.gz SLUZVMMPUCEURL-UHFFFAOYSA-N 0 3 376.526 0.873 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1-n1cnnn1 ZINC000454108995 1197327819 /nfs/dbraw/zinc/32/78/19/1197327819.db2.gz SRFGQVKVYZIXCU-CQSZACIVSA-N 0 3 387.444 0.551 20 0 GCADHN Cn1cnc2cc(S(=O)(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)ccc21 ZINC000532562075 1197328604 /nfs/dbraw/zinc/32/86/04/1197328604.db2.gz PEXJJQYBUNZBSJ-KRWDZBQOSA-N 0 3 391.497 0.500 20 0 GCADHN COc1ccc(-c2nnc(CNC(=O)N[C@@H](C)CN3CCN(C)CC3)[nH]2)cc1 ZINC000111860746 1197333265 /nfs/dbraw/zinc/33/32/65/1197333265.db2.gz NUADRKOTPWEQOH-AWEZNQCLSA-N 0 3 387.488 0.915 20 0 GCADHN CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000897452960 1197333744 /nfs/dbraw/zinc/33/37/44/1197333744.db2.gz ANUWTPCWFIDKRA-MOPGFXCFSA-N 0 3 398.507 0.773 20 0 GCADHN C[C@H]1OC[C@]2(CC[C@@H](CNC(=O)C(=O)NCCN3CCC[C@@H](C)C3)O2)[C@@H]1C ZINC000897451975 1197333826 /nfs/dbraw/zinc/33/38/26/1197333826.db2.gz QRXSSNINQSMLJK-XFEYQPKCSA-N 0 3 381.517 0.923 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NCCN2CCC(C)CC2)n(C)c1C ZINC000897451302 1197333868 /nfs/dbraw/zinc/33/38/68/1197333868.db2.gz OHVAHUQOWDJYKR-UHFFFAOYSA-N 0 3 378.473 0.584 20 0 GCADHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3c1OCCC3)C2 ZINC001719916438 1197336744 /nfs/dbraw/zinc/33/67/44/1197336744.db2.gz JSWZFPDFEQJHRA-BMFZPTHFSA-N 0 3 375.473 0.869 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000119293289 1197339859 /nfs/dbraw/zinc/33/98/59/1197339859.db2.gz MRALKZWJKXIMND-NWANDNLSSA-N 0 3 384.502 0.901 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000119293289 1197339862 /nfs/dbraw/zinc/33/98/62/1197339862.db2.gz MRALKZWJKXIMND-NWANDNLSSA-N 0 3 384.502 0.901 20 0 GCADHN O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000119665992 1197341057 /nfs/dbraw/zinc/34/10/57/1197341057.db2.gz XNCYMKHPZIDZSY-GOSISDBHSA-N 0 3 399.495 0.307 20 0 GCADHN C[C@@H](CNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000332818835 1197344415 /nfs/dbraw/zinc/34/44/15/1197344415.db2.gz WNEPGWVYQBLPMF-ZWKOTPCHSA-N 0 3 394.564 0.849 20 0 GCADHN CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000332941958 1197347330 /nfs/dbraw/zinc/34/73/30/1197347330.db2.gz JVVLJZBZBUHKOU-DLBZAZTESA-N 0 3 379.505 0.193 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000332946659 1197347895 /nfs/dbraw/zinc/34/78/95/1197347895.db2.gz WWJHCQXRBBJOSC-KBXCAEBGSA-N 0 3 380.489 0.450 20 0 GCADHN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[C@H]1CCOC1 ZINC000532639880 1197352278 /nfs/dbraw/zinc/35/22/78/1197352278.db2.gz MPLMESNLCWFYET-MRXNPFEDSA-N 0 3 381.498 0.488 20 0 GCADHN CCc1nnc(N2CCO[C@@H](COC)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001709163224 1197352932 /nfs/dbraw/zinc/35/29/32/1197352932.db2.gz VIYLEDVTKMEMMO-IAGOWNOFSA-N 0 3 380.537 0.718 20 0 GCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127342853 1197360959 /nfs/dbraw/zinc/36/09/59/1197360959.db2.gz POFQSXYGICAZDY-SJORKVTESA-N 0 3 395.463 0.625 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000532655648 1197362136 /nfs/dbraw/zinc/36/21/36/1197362136.db2.gz COSZYPPVFYQDRK-XOBRGWDASA-N 0 3 387.484 0.497 20 0 GCADHN CNC(=O)CCN(C)c1nnc(C(=O)NC(C)C)n1CCN1CCC[C@@H]1C ZINC001299200052 1197362254 /nfs/dbraw/zinc/36/22/54/1197362254.db2.gz PGSBLFPYTGPIDB-AWEZNQCLSA-N 0 3 379.509 0.473 20 0 GCADHN CN1CCN(CCNC(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)CC1(C)C ZINC000375675730 1197363125 /nfs/dbraw/zinc/36/31/25/1197363125.db2.gz MTLSRMQNJGYFDQ-DLBZAZTESA-N 0 3 395.548 0.324 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000128168396 1197363214 /nfs/dbraw/zinc/36/32/14/1197363214.db2.gz ZPWPOCHZWBMYEY-KRWDZBQOSA-N 0 3 386.500 0.610 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N(C)CCc2ccc3c(c2)OCO3)CCSC1 ZINC000897474863 1197365409 /nfs/dbraw/zinc/36/54/09/1197365409.db2.gz DHPMTJJAZOVTQC-IBGZPJMESA-N 0 3 393.509 0.970 20 0 GCADHN COc1cc2c(cc1O)CCN(C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C2 ZINC000897475128 1197365918 /nfs/dbraw/zinc/36/59/18/1197365918.db2.gz LFYRGYUJBYZOKX-LJQANCHMSA-N 0 3 393.509 0.839 20 0 GCADHN CN(C(=O)CN1CCCS1(=O)=O)C1CCN(CCc2ccccn2)CC1 ZINC000129381265 1197366841 /nfs/dbraw/zinc/36/68/41/1197366841.db2.gz LEVGRLMUXUFIOH-UHFFFAOYSA-N 0 3 380.514 0.582 20 0 GCADHN COc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C(C)C)N(C)C)C3)nn1 ZINC001719919446 1197366986 /nfs/dbraw/zinc/36/69/86/1197366986.db2.gz QYFYBOXGUNCRLO-UTXMOHQDSA-N 0 3 375.473 0.933 20 0 GCADHN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)C(=O)NC[C@]3(N(C)C)CCSC3)O2)CO1 ZINC000897475528 1197368129 /nfs/dbraw/zinc/36/81/29/1197368129.db2.gz VRGQVOUQAQDYAW-LTCOOKNTSA-N 0 3 385.530 0.383 20 0 GCADHN CN(CCN1CCN(C(=O)NCCN2CCOCC2)CC1)Cc1ccccc1 ZINC000105062461 1197370316 /nfs/dbraw/zinc/37/03/16/1197370316.db2.gz SAUTVHSAGAWPQN-UHFFFAOYSA-N 0 3 389.544 0.778 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCCN([C@H](C)CO)CC2)c1 ZINC000470078020 1197375035 /nfs/dbraw/zinc/37/50/35/1197375035.db2.gz CZKVZQWPSYLUQF-QGZVFWFLSA-N 0 3 397.541 0.887 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000666692021 1197375533 /nfs/dbraw/zinc/37/55/33/1197375533.db2.gz SPHNSHUWLNSSDR-KRWDZBQOSA-N 0 3 388.468 0.430 20 0 GCADHN CS(=O)(=O)[N-]c1cncc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000536608332 1197376309 /nfs/dbraw/zinc/37/63/09/1197376309.db2.gz RNSSCSURTZUWDI-UHFFFAOYSA-N 0 3 382.486 0.828 20 0 GCADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C1(n2cnnn2)CC1 ZINC000666695163 1197376498 /nfs/dbraw/zinc/37/64/98/1197376498.db2.gz QEIMZYZAIZCBFC-UHFFFAOYSA-N 0 3 383.500 0.876 20 0 GCADHN C[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000359958116 1197379548 /nfs/dbraw/zinc/37/95/48/1197379548.db2.gz JFOJZWLSRUPQQR-MSOLQXFVSA-N 0 3 381.542 0.845 20 0 GCADHN C[C@H](NC(=O)CN1CCC(CN2CCOCC2)CC1)C(=O)N1CCCCC1 ZINC000051960127 1197383899 /nfs/dbraw/zinc/38/38/99/1197383899.db2.gz FHATZHSWIHZIMD-KRWDZBQOSA-N 0 3 380.533 0.548 20 0 GCADHN CC(C)(CNC(=O)CN1CCC(CN2CCOCC2)CC1)N1CCOCC1 ZINC000051957261 1197384143 /nfs/dbraw/zinc/38/41/43/1197384143.db2.gz HEKKDTFAIPXLSZ-UHFFFAOYSA-N 0 3 382.549 0.258 20 0 GCADHN CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001719957952 1197385167 /nfs/dbraw/zinc/38/51/67/1197385167.db2.gz BHRGJRRBBBXDCZ-OLPIVMHESA-N 0 3 378.517 0.727 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCN([C@H](C)CO)CC2)cc1 ZINC000470079532 1197386107 /nfs/dbraw/zinc/38/61/07/1197386107.db2.gz QECGNVAXUPSKRQ-MRXNPFEDSA-N 0 3 383.514 0.579 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000614850016 1197388828 /nfs/dbraw/zinc/38/88/28/1197388828.db2.gz QKUVACXVPDKPDO-RBZFPXEDSA-N 0 3 386.452 0.167 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CN1Cc1ccccc1 ZINC000137518368 1197392399 /nfs/dbraw/zinc/39/23/99/1197392399.db2.gz PDWIFZBRRLCXDO-GOEBONIOSA-N 0 3 391.497 0.478 20 0 GCADHN O=c1[nH]c2ccccc2n1CCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000532711603 1197395830 /nfs/dbraw/zinc/39/58/30/1197395830.db2.gz QCLXLXZFVDAINZ-WBVHZDCISA-N 0 3 394.497 0.219 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000897495179 1197402596 /nfs/dbraw/zinc/40/25/96/1197402596.db2.gz XGDPLGXLAALRHW-KZNAEPCWSA-N 0 3 380.533 0.404 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCC1(C2(O)CCC2)CCC1)CN1CCN(C)CC1 ZINC000897494098 1197402649 /nfs/dbraw/zinc/40/26/49/1197402649.db2.gz KZQALYQSGWHNPZ-MRXNPFEDSA-N 0 3 380.533 0.188 20 0 GCADHN CCc1cc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)C2)ncn1 ZINC000245420188 1197403571 /nfs/dbraw/zinc/40/35/71/1197403571.db2.gz BYMHGDMAWBGFFB-RDJZCZTQSA-N 0 3 388.516 0.534 20 0 GCADHN O=C(C[C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000429733635 1197405108 /nfs/dbraw/zinc/40/51/08/1197405108.db2.gz DUNDHOLHYANVOA-QGZVFWFLSA-N 0 3 393.509 0.387 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(OCC(F)(F)F)cc1 ZINC000419022809 1197407051 /nfs/dbraw/zinc/40/70/51/1197407051.db2.gz ISPSIAYEFVXDLF-FZMZJTMJSA-N 0 3 389.374 0.910 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000532773960 1197411426 /nfs/dbraw/zinc/41/14/26/1197411426.db2.gz ATRJBDYZXBGFFM-CYBMUJFWSA-N 0 3 395.481 0.284 20 0 GCADHN COC(=O)c1csc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000532881661 1197417666 /nfs/dbraw/zinc/41/76/66/1197417666.db2.gz KRSQTZTZBUNWSL-LBPRGKRZSA-N 0 3 382.486 0.473 20 0 GCADHN C[C@]1(n2cc(CN[C@H]3CCCN(c4cccnn4)C3)cn2)CCS(=O)(=O)C1 ZINC000532866271 1197417763 /nfs/dbraw/zinc/41/77/63/1197417763.db2.gz GSBDXSSCDCPLES-WMZOPIPTSA-N 0 3 390.513 0.965 20 0 GCADHN C[C@]1(n2cc(CN[C@@H]3CCCN(c4cccnn4)C3)cn2)CCS(=O)(=O)C1 ZINC000532866268 1197417777 /nfs/dbraw/zinc/41/77/77/1197417777.db2.gz GSBDXSSCDCPLES-AEFFLSMTSA-N 0 3 390.513 0.965 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@](COC)(C(=O)OC)C2)CC1 ZINC000454603032 1197422939 /nfs/dbraw/zinc/42/29/39/1197422939.db2.gz AKTSXIZTTJDLAG-LPHOPBHVSA-N 0 3 384.521 0.481 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000454666841 1197425331 /nfs/dbraw/zinc/42/53/31/1197425331.db2.gz XAGMCNCMRQEILR-PMPSAXMXSA-N 0 3 379.505 0.334 20 0 GCADHN CC(C)n1cc([C@@]2(O)CCCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)C2)nn1 ZINC000375723229 1197426406 /nfs/dbraw/zinc/42/64/06/1197426406.db2.gz OPIDRPHWXFIRLA-DNVCBOLYSA-N 0 3 392.504 0.079 20 0 GCADHN C[C@H]1[C@H](NC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)CCCN1C ZINC000454782498 1197431679 /nfs/dbraw/zinc/43/16/79/1197431679.db2.gz KMUIHKLNUJECDY-WMLDXEAASA-N 0 3 397.545 0.894 20 0 GCADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000533224278 1197439921 /nfs/dbraw/zinc/43/99/21/1197439921.db2.gz JQJDMGYKDKCZPU-MRXNPFEDSA-N 0 3 389.566 0.126 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000533319974 1197445569 /nfs/dbraw/zinc/44/55/69/1197445569.db2.gz GDHWPTZLNYCOFR-JKSUJKDBSA-N 0 3 393.488 0.427 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCC(=O)c2cccs2)CC1 ZINC000533483334 1197454559 /nfs/dbraw/zinc/45/45/59/1197454559.db2.gz VQZFBFOUGHXJFF-CQSZACIVSA-N 0 3 378.498 0.285 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cccc(-n3cccn3)c2)no1)C(N)=O ZINC001211998294 1197465464 /nfs/dbraw/zinc/46/54/64/1197465464.db2.gz MRYBXAQZNRVWAR-SMDDNHRTSA-N 0 3 383.412 0.172 20 0 GCADHN CCN(CC)c1ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)cc1 ZINC001211998304 1197465870 /nfs/dbraw/zinc/46/58/70/1197465870.db2.gz NBIOZDNIBQHVQV-SWLSCSKDSA-N 0 3 388.472 0.833 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000105537785 1197468238 /nfs/dbraw/zinc/46/82/38/1197468238.db2.gz VZBKVQBGQJVMMU-UHFFFAOYSA-N 0 3 398.385 0.809 20 0 GCADHN Cc1cc(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)ncc1Br ZINC001212022762 1197475094 /nfs/dbraw/zinc/47/50/94/1197475094.db2.gz DMOVCQCKVAWEPU-XVKPBYJWSA-N 0 3 397.233 0.582 20 0 GCADHN CN1CCN(CCCNC(=O)N2C[C@@H](O)C[C@H]2CO)[C@@H](c2ccccc2)C1 ZINC000249484992 1197482189 /nfs/dbraw/zinc/48/21/89/1197482189.db2.gz XYOQIVDMBWGWIT-GBESFXJTSA-N 0 3 376.501 0.502 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)CC1 ZINC000897529125 1197492540 /nfs/dbraw/zinc/49/25/40/1197492540.db2.gz GENQZARVGTVJKF-MZRZTIOWSA-N 0 3 397.516 0.302 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2c(C)oc3ncn(C)c(=O)c32)CC1 ZINC000171318320 1197495189 /nfs/dbraw/zinc/49/51/89/1197495189.db2.gz OKQPPXHQIWBUSQ-CYBMUJFWSA-N 0 3 375.473 0.838 20 0 GCADHN COc1cnc(-c2noc([C@@H]3CCCN3C(=O)[C@@H](N)CCC(N)=O)n2)c(C)c1 ZINC001212076479 1197501628 /nfs/dbraw/zinc/50/16/28/1197501628.db2.gz DYCHKEYFFNLFOT-STQMWFEESA-N 0 3 388.428 0.705 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCN1C(=O)CN1CCCC1 ZINC000988770160 1197508007 /nfs/dbraw/zinc/50/80/07/1197508007.db2.gz ZCWKEIJQCJQEMY-OSRDXIQISA-N 0 3 393.406 0.534 20 0 GCADHN CCC1(CC)NC(=O)N(CC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1=O ZINC000116621792 1197508852 /nfs/dbraw/zinc/50/88/52/1197508852.db2.gz GJPQMXLBSQQTEX-CQSZACIVSA-N 0 3 395.504 0.156 20 0 GCADHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCNC[C@@H]1c1nccn1C ZINC000261623894 1197511125 /nfs/dbraw/zinc/51/11/25/1197511125.db2.gz ACASSATWEBNOMN-IUODEOHRSA-N 0 3 381.440 0.588 20 0 GCADHN CCOc1ccc(OCCNC(=O)CN2CCNC[C@H]2c2nccn2C)cc1 ZINC000261677339 1197511517 /nfs/dbraw/zinc/51/15/17/1197511517.db2.gz CRVRXYAPLZPYCG-SFHVURJKSA-N 0 3 387.484 0.960 20 0 GCADHN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)C1 ZINC000367059272 1197512078 /nfs/dbraw/zinc/51/20/78/1197512078.db2.gz DCMOSFONTRYYCS-QRVBRYPASA-N 0 3 391.560 0.215 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000261854736 1197516525 /nfs/dbraw/zinc/51/65/25/1197516525.db2.gz YLGUMAPTNLJHNN-MRXNPFEDSA-N 0 3 388.447 0.414 20 0 GCADHN C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CCC(=O)N3CCNCC3)CC2)C1 ZINC000262031278 1197523132 /nfs/dbraw/zinc/52/31/32/1197523132.db2.gz GYKIRRRWTDCLKU-ZWKOTPCHSA-N 0 3 379.549 0.121 20 0 GCADHN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CCC(=O)N3CCNCC3)CC2)C1 ZINC000262031276 1197523214 /nfs/dbraw/zinc/52/32/14/1197523214.db2.gz GYKIRRRWTDCLKU-QZTJIDSGSA-N 0 3 379.549 0.121 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000262156572 1197526632 /nfs/dbraw/zinc/52/66/32/1197526632.db2.gz PNCZJGXDMLFGJD-XUJLQICISA-N 0 3 384.546 0.336 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000262214943 1197527001 /nfs/dbraw/zinc/52/70/01/1197527001.db2.gz TZJHKHBRHLWHPL-WMZOPIPTSA-N 0 3 390.484 0.311 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000162356118 1197528304 /nfs/dbraw/zinc/52/83/04/1197528304.db2.gz GCEOHEOSZFDZGB-GOSISDBHSA-N 0 3 392.475 0.559 20 0 GCADHN O=C(CN1CCN(CCC(=O)N2CCNCC2)CC1)Nc1ccc(F)cc1 ZINC000262207227 1197528667 /nfs/dbraw/zinc/52/86/67/1197528667.db2.gz SSSCWJJRKLNNOL-UHFFFAOYSA-N 0 3 377.464 0.204 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000262527068 1197533445 /nfs/dbraw/zinc/53/34/45/1197533445.db2.gz NVODJJZFEDIMCJ-QGZVFWFLSA-N 0 3 378.517 0.444 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N(CCN2CCOCC2)[C@H]2CCSC2)CC1=O ZINC000615098975 1197533483 /nfs/dbraw/zinc/53/34/83/1197533483.db2.gz UQONUFURCCIWQM-SJORKVTESA-N 0 3 398.573 0.063 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000263114620 1197541430 /nfs/dbraw/zinc/54/14/30/1197541430.db2.gz FJOGIDVCCLRJJH-INIZCTEOSA-N 0 3 386.456 0.937 20 0 GCADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1CCc2nnnn2CC1 ZINC000572391819 1197544908 /nfs/dbraw/zinc/54/49/08/1197544908.db2.gz BQMXKNKEYKUONT-APWZRJJASA-N 0 3 385.472 0.314 20 0 GCADHN C[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)C(=O)NCCN1CCCCC1 ZINC000508693058 1197550506 /nfs/dbraw/zinc/55/05/06/1197550506.db2.gz HADOZFRFNQLFEJ-OAHLLOKOSA-N 0 3 385.468 0.503 20 0 GCADHN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000508697255 1197551710 /nfs/dbraw/zinc/55/17/10/1197551710.db2.gz LYDHYBQHKJCIRU-UTKZUKDTSA-N 0 3 386.496 0.934 20 0 GCADHN C[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)NCCN1CCCCC1 ZINC000508705160 1197554816 /nfs/dbraw/zinc/55/48/16/1197554816.db2.gz BRXFRBUMAODGNB-OAHLLOKOSA-N 0 3 399.495 0.583 20 0 GCADHN CC(C)(C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000429748531 1197554868 /nfs/dbraw/zinc/55/48/68/1197554868.db2.gz BDICRCNYTRHOBP-MRXNPFEDSA-N 0 3 397.497 0.664 20 0 GCADHN C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1)C(=O)NCCN1CCCCC1 ZINC000508708845 1197556395 /nfs/dbraw/zinc/55/63/95/1197556395.db2.gz FKPKQZXYUFCCRI-HYVNUMGLSA-N 0 3 377.489 0.605 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1COCCN1C1CCCC1)C(=O)NCCN1CCCCC1 ZINC000508720309 1197558354 /nfs/dbraw/zinc/55/83/54/1197558354.db2.gz RFUGYUIOYPCYSH-AEFFLSMTSA-N 0 3 380.533 0.737 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000508720462 1197558399 /nfs/dbraw/zinc/55/83/99/1197558399.db2.gz RYQGUEPAEPTRPQ-OAHLLOKOSA-N 0 3 379.505 0.193 20 0 GCADHN CCC(CC)(NC(=O)C1CN(C(=O)Nc2ccnn2CCN(C)C)C1)C(N)=O ZINC000455646084 1197558666 /nfs/dbraw/zinc/55/86/66/1197558666.db2.gz JNNJZWIKEYAMSY-UHFFFAOYSA-N 0 3 393.492 0.069 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000455670125 1197564004 /nfs/dbraw/zinc/56/40/04/1197564004.db2.gz QCDKSALPDXFOTL-QGZVFWFLSA-N 0 3 382.534 0.774 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CCCNC(=O)C1CCC1 ZINC000428646182 1197566967 /nfs/dbraw/zinc/56/69/67/1197566967.db2.gz DXJFTAJORNLFJB-KRWDZBQOSA-N 0 3 395.548 0.877 20 0 GCADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000533813442 1197568813 /nfs/dbraw/zinc/56/88/13/1197568813.db2.gz KYMYRAZBYXJAHY-SJORKVTESA-N 0 3 382.530 0.883 20 0 GCADHN CCN1CCN(CCC(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000508744953 1197569562 /nfs/dbraw/zinc/56/95/62/1197569562.db2.gz BVYNTNOUKWHYSP-OAHLLOKOSA-N 0 3 382.530 0.881 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000429766781 1197576592 /nfs/dbraw/zinc/57/65/92/1197576592.db2.gz PUXBHWGNWATTSX-GJZGRUSLSA-N 0 3 396.513 0.688 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c(=O)n(C)c1 ZINC000536993700 1197587601 /nfs/dbraw/zinc/58/76/01/1197587601.db2.gz GBZMBDYZSHBTJH-MRXNPFEDSA-N 0 3 389.500 0.259 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2ccsc2)CC1 ZINC000671989370 1198948467 /nfs/dbraw/zinc/94/84/67/1198948467.db2.gz GWVOLCLDGJURMV-AWEZNQCLSA-N 0 3 380.514 0.938 20 0 GCADHN Cc1nn[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(C(C)C)CCO1)C2 ZINC000999553233 1198948533 /nfs/dbraw/zinc/94/85/33/1198948533.db2.gz GSLDICZWTRQCQF-QPSCCSFWSA-N 0 3 376.461 0.084 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccsc1 ZINC000671991597 1198956698 /nfs/dbraw/zinc/95/66/98/1198956698.db2.gz OUAPSDGIYMUKJR-AWEZNQCLSA-N 0 3 378.498 0.692 20 0 GCADHN CCn1nnc(C)c1CN[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000999790929 1198972394 /nfs/dbraw/zinc/97/23/94/1198972394.db2.gz LTNHEEDZVKGPLK-UIBIWLFHSA-N 0 3 377.489 0.739 20 0 GCADHN CN(CCOCCO)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000282303984 1199010626 /nfs/dbraw/zinc/01/06/26/1199010626.db2.gz GMHPFVWDJHBQNZ-UHFFFAOYSA-N 0 3 388.486 0.027 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000465659961 1199010927 /nfs/dbraw/zinc/01/09/27/1199010927.db2.gz MSRHPCPGZKVQBU-OAHLLOKOSA-N 0 3 384.502 0.586 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)C2)OCC1=O ZINC001272879745 1199053097 /nfs/dbraw/zinc/05/30/97/1199053097.db2.gz UCVVWGHLPNCERE-HUUCEWRRSA-N 0 3 378.300 0.962 20 0 GCADHN C[C@@H](CNC(=O)NCCNC(=O)Cc1cccc(F)c1)CN1CCN(C)CC1 ZINC000465790933 1199068645 /nfs/dbraw/zinc/06/86/45/1199068645.db2.gz TXLWLWPTVDWHIN-INIZCTEOSA-N 0 3 393.507 0.667 20 0 GCADHN C[C@H](CNC(=O)NCCNC(=O)Cc1cccc(F)c1)CN1CCN(C)CC1 ZINC000465790934 1199068734 /nfs/dbraw/zinc/06/87/34/1199068734.db2.gz TXLWLWPTVDWHIN-MRXNPFEDSA-N 0 3 393.507 0.667 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)NC[C@](C)(O)CN2CCOCC2)N(C)C)cc1 ZINC000465803737 1199071619 /nfs/dbraw/zinc/07/16/19/1199071619.db2.gz DFVYOWACUOACPP-QUCCMNQESA-N 0 3 378.517 0.980 20 0 GCADHN C[C@@H](NC(=O)NCC1(O)CCS(=O)(=O)CC1)[C@H](c1ccccc1)N(C)C ZINC000508899668 1199072125 /nfs/dbraw/zinc/07/21/25/1199072125.db2.gz VJHCJJBAXBFRAZ-GDBMZVCRSA-N 0 3 383.514 0.917 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1 ZINC000268886784 1199088016 /nfs/dbraw/zinc/08/80/16/1199088016.db2.gz CDRVKLOMQBEERS-MRXNPFEDSA-N 0 3 386.452 0.685 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC2(CCCCC2)O1 ZINC000656087292 1199097549 /nfs/dbraw/zinc/09/75/49/1199097549.db2.gz ROCGYEKKNFGFDB-MRXNPFEDSA-N 0 3 394.516 0.169 20 0 GCADHN COCCN1CC[C@@H](NC(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)C1 ZINC000265738969 1199097969 /nfs/dbraw/zinc/09/79/69/1199097969.db2.gz MLRWIVBTEDPWIA-MRXNPFEDSA-N 0 3 392.456 0.361 20 0 GCADHN CC(C)CN1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000072824020 1199102739 /nfs/dbraw/zinc/10/27/39/1199102739.db2.gz XWHNQMJCCZXWNC-UHFFFAOYSA-N 0 3 381.565 0.319 20 0 GCADHN Cc1ccncc1[C@@H](C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672110868 1199107622 /nfs/dbraw/zinc/10/76/22/1199107622.db2.gz NQVSCENKIOTKKG-NVXWUHKLSA-N 0 3 389.500 0.626 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000624788100 1199109638 /nfs/dbraw/zinc/10/96/38/1199109638.db2.gz TWJFKGVMBUUICP-QGZVFWFLSA-N 0 3 379.505 0.383 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)CC1=O ZINC000265751841 1199121093 /nfs/dbraw/zinc/12/10/93/1199121093.db2.gz AFHMKSKWYDBKTF-MAUKXSAKSA-N 0 3 398.467 0.616 20 0 GCADHN Cn1cc(CNC[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCCO2)cn1 ZINC001078434822 1199129494 /nfs/dbraw/zinc/12/94/94/1199129494.db2.gz SQKUPOFLCGSEEZ-XLAORIBOSA-N 0 3 378.473 0.179 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)NC2CCN(CCOC(C)C)CC2)C1=O ZINC000499465969 1199130216 /nfs/dbraw/zinc/13/02/16/1199130216.db2.gz AHIMMGLVEKQLCS-MRXNPFEDSA-N 0 3 398.504 0.339 20 0 GCADHN Cn1cc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c(-c2cccnc2)n1 ZINC000172697212 1199142324 /nfs/dbraw/zinc/14/23/24/1199142324.db2.gz JMSVCEHZTKELRI-SFHVURJKSA-N 0 3 384.484 0.505 20 0 GCADHN O=C1C[C@H](NCc2ccccc2N2CCOCC2)CN1CCN1CCOCC1 ZINC000172697924 1199144069 /nfs/dbraw/zinc/14/40/69/1199144069.db2.gz FKBRJIJDLKQHEU-IBGZPJMESA-N 0 3 388.512 0.546 20 0 GCADHN C[C@@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000110966640 1199145739 /nfs/dbraw/zinc/14/57/39/1199145739.db2.gz RQJLAGWWASLQSI-AWEZNQCLSA-N 0 3 379.486 0.335 20 0 GCADHN CN(Cc1ccc2c(c1)nnn2C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001486343040 1199164408 /nfs/dbraw/zinc/16/44/08/1199164408.db2.gz KNRJQCHQQGJOAY-GPGBYLDCSA-N 0 3 399.495 0.643 20 0 GCADHN CCNC(=O)NC(=O)CNC[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(C)(C)C ZINC001486406084 1199166685 /nfs/dbraw/zinc/16/66/85/1199166685.db2.gz SGICCUUKCAIAKI-ZBXLYSBASA-N 0 3 380.489 0.376 20 0 GCADHN CN1CCO[C@@H](C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000172726346 1199166861 /nfs/dbraw/zinc/16/68/61/1199166861.db2.gz BBLGYWZRVACYJM-RTBURBONSA-N 0 3 387.528 0.773 20 0 GCADHN Cn1ccc(C(=O)NCCN(CCN2CCCCC2)C(=O)c2ccn(C)n2)n1 ZINC000672246161 1199172147 /nfs/dbraw/zinc/17/21/47/1199172147.db2.gz SHURISZCQLRTTQ-UHFFFAOYSA-N 0 3 387.488 0.512 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCCC2(CCOCC2)C1 ZINC000465930194 1199184154 /nfs/dbraw/zinc/18/41/54/1199184154.db2.gz MFDCHVXBOGCESU-UHFFFAOYSA-N 0 3 382.549 0.979 20 0 GCADHN CC(C)N1CC[C@@H](NCCOCCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1=O ZINC001486495057 1199184740 /nfs/dbraw/zinc/18/47/40/1199184740.db2.gz IFWIOTAMUMEPQV-SUMCQTLJSA-N 0 3 379.501 0.484 20 0 GCADHN CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000672304751 1199196906 /nfs/dbraw/zinc/19/69/06/1199196906.db2.gz JGQSGTHTMMDJMA-GOSISDBHSA-N 0 3 386.496 0.648 20 0 GCADHN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672303945 1199197938 /nfs/dbraw/zinc/19/79/38/1199197938.db2.gz CCNGHRXVWLISQO-GFCCVEGCSA-N 0 3 389.481 0.956 20 0 GCADHN CCO[C@@H](C)c1noc(CN(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000672308535 1199199038 /nfs/dbraw/zinc/19/90/38/1199199038.db2.gz RZEZZTQOOWFKOV-JSGCOSHPSA-N 0 3 379.461 0.726 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@@H](C)O1 ZINC000672308251 1199199558 /nfs/dbraw/zinc/19/95/58/1199199558.db2.gz GUEAROHMCOHYET-RWQQGDIJSA-N 0 3 392.544 0.687 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000672309783 1199201562 /nfs/dbraw/zinc/20/15/62/1199201562.db2.gz UPLHBNMMKUGISL-MRXNPFEDSA-N 0 3 391.903 0.984 20 0 GCADHN Cn1cc([C@H]2CSCCN2C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cn1 ZINC000672311979 1199202388 /nfs/dbraw/zinc/20/23/88/1199202388.db2.gz XOICCEGIMMYUBE-HZPDHXFCSA-N 0 3 377.514 0.637 20 0 GCADHN CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672310776 1199202697 /nfs/dbraw/zinc/20/26/97/1199202697.db2.gz HVGCNAAGAQVGMJ-SJORKVTESA-N 0 3 378.517 0.742 20 0 GCADHN CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672310775 1199202943 /nfs/dbraw/zinc/20/29/43/1199202943.db2.gz HVGCNAAGAQVGMJ-IRXDYDNUSA-N 0 3 378.517 0.742 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672311369 1199204935 /nfs/dbraw/zinc/20/49/35/1199204935.db2.gz DZFZNVDTGQTMNB-HNNXBMFYSA-N 0 3 392.529 0.486 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000499528868 1199216324 /nfs/dbraw/zinc/21/63/24/1199216324.db2.gz LKXFVYOVNZRENB-UHFFFAOYSA-N 0 3 397.447 0.752 20 0 GCADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CC2 ZINC000672393436 1199226541 /nfs/dbraw/zinc/22/65/41/1199226541.db2.gz CIPLFCRTGPUTOZ-MOPGFXCFSA-N 0 3 398.507 0.864 20 0 GCADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)CC2 ZINC000672399150 1199227434 /nfs/dbraw/zinc/22/74/34/1199227434.db2.gz IISQEMZFEGUBFC-LJQANCHMSA-N 0 3 398.507 0.865 20 0 GCADHN C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@@H]1CN(C)CCO1 ZINC000672470395 1199241352 /nfs/dbraw/zinc/24/13/52/1199241352.db2.gz DDFNSEWKGAKITD-ZCRFILTFSA-N 0 3 381.521 0.088 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511195 1199249404 /nfs/dbraw/zinc/24/94/04/1199249404.db2.gz NHNOZSMAXOSUJM-INIZCTEOSA-N 0 3 396.513 0.299 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC000921992432 1199264359 /nfs/dbraw/zinc/26/43/59/1199264359.db2.gz VUGUJTJHXBNDNP-DJIMGWMZSA-N 0 3 380.514 0.827 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000672556544 1199270963 /nfs/dbraw/zinc/27/09/63/1199270963.db2.gz KUQILENDPHOZRI-MJGOQNOKSA-N 0 3 398.507 0.846 20 0 GCADHN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000672625839 1199283669 /nfs/dbraw/zinc/28/36/69/1199283669.db2.gz FKLBZUOGCGEDHV-STQMWFEESA-N 0 3 390.406 0.353 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000672693724 1199314610 /nfs/dbraw/zinc/31/46/10/1199314610.db2.gz ZKMXPGYLYUOTNN-HUUCEWRRSA-N 0 3 377.464 0.906 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H](CC)CN2CCCC2)CC1 ZINC000672693964 1199314692 /nfs/dbraw/zinc/31/46/92/1199314692.db2.gz IFWKXAQKYMUSJP-IAGOWNOFSA-N 0 3 395.548 0.036 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000672693723 1199314742 /nfs/dbraw/zinc/31/47/42/1199314742.db2.gz ZKMXPGYLYUOTNN-GJZGRUSLSA-N 0 3 377.464 0.906 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NC1CCN(c2cc(C)[nH]n2)CC1 ZINC000672693865 1199315105 /nfs/dbraw/zinc/31/51/05/1199315105.db2.gz FKZJCZYGCBYPBK-OAHLLOKOSA-N 0 3 376.505 0.794 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000672699683 1199319280 /nfs/dbraw/zinc/31/92/80/1199319280.db2.gz CADCACZEUAXASQ-IRXDYDNUSA-N 0 3 380.533 0.988 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)C1 ZINC000672757190 1199327705 /nfs/dbraw/zinc/32/77/05/1199327705.db2.gz DMWKNPUSPQWIMC-AWEZNQCLSA-N 0 3 385.424 0.123 20 0 GCADHN Cc1nn2cccnc2c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCN1C ZINC001002886782 1199331494 /nfs/dbraw/zinc/33/14/94/1199331494.db2.gz BZJJYIPNNVJSOF-LVQVYYBASA-N 0 3 382.468 0.994 20 0 GCADHN Cn1nnc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)N2CCCCC2)C3)n1 ZINC001002920494 1199341955 /nfs/dbraw/zinc/34/19/55/1199341955.db2.gz LHTHVRJLJZFVPU-MCIONIFRSA-N 0 3 375.477 0.336 20 0 GCADHN CC1(C)CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000672844723 1199348138 /nfs/dbraw/zinc/34/81/38/1199348138.db2.gz RNBPLAZESDGBDN-INIZCTEOSA-N 0 3 378.517 0.838 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCOC3(CCCCC3)C2)CC1(C)C ZINC000672854683 1199352700 /nfs/dbraw/zinc/35/27/00/1199352700.db2.gz CPNRUQZKGJKXTA-UHFFFAOYSA-N 0 3 380.533 0.690 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCSC3(CCOCC3)C2)CC1(C)C ZINC000672854930 1199353724 /nfs/dbraw/zinc/35/37/24/1199353724.db2.gz OZDRKVQCZFTHCG-UHFFFAOYSA-N 0 3 398.573 0.253 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(C(=O)NCCOC)c1 ZINC000672970090 1199380228 /nfs/dbraw/zinc/38/02/28/1199380228.db2.gz ZXBCTBHHBRSJSF-INIZCTEOSA-N 0 3 390.484 0.992 20 0 GCADHN CC(C)OCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000673006763 1199389829 /nfs/dbraw/zinc/38/98/29/1199389829.db2.gz AGFNDWGLPVUUIN-SFHVURJKSA-N 0 3 377.485 0.935 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c2ccccc2O1 ZINC000066223086 1199391452 /nfs/dbraw/zinc/39/14/52/1199391452.db2.gz YOEUVNVAJXXRJE-YOEHRIQHSA-N 0 3 387.436 0.650 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CN1C1CC1 ZINC000129879862 1199402419 /nfs/dbraw/zinc/40/24/19/1199402419.db2.gz PVNPXPYIPAIQOO-ZIAGYGMSSA-N 0 3 384.488 0.820 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CN(C)CCO1 ZINC000673096078 1199417120 /nfs/dbraw/zinc/41/71/20/1199417120.db2.gz XCQKSKFPMPVHFW-CRAIPNDOSA-N 0 3 388.512 0.037 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1OC ZINC000265818925 1199431847 /nfs/dbraw/zinc/43/18/47/1199431847.db2.gz MLISMOLMUVVAIY-CQSZACIVSA-N 0 3 378.473 0.642 20 0 GCADHN COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000265820518 1199441141 /nfs/dbraw/zinc/44/11/41/1199441141.db2.gz MUHJVOLNVRZYBD-AWEZNQCLSA-N 0 3 378.473 0.642 20 0 GCADHN COc1cc(CN2CCN(CCO)C(C)(C)C2)cc(OC)c1OCC(N)=O ZINC000682165941 1199446669 /nfs/dbraw/zinc/44/66/69/1199446669.db2.gz AWEWQRDINUBNOB-UHFFFAOYSA-N 0 3 381.473 0.456 20 0 GCADHN C[C@H](CNC(=O)N1CCn2c(nnc2C(F)(F)F)C1)CN1CCN(C)CC1 ZINC000466135999 1199488226 /nfs/dbraw/zinc/48/82/26/1199488226.db2.gz CTNQRGIKLHWJBF-GFCCVEGCSA-N 0 3 389.426 0.706 20 0 GCADHN CS(=O)(=O)N1CC[C@H](CN2CCC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001003340104 1199499312 /nfs/dbraw/zinc/49/93/12/1199499312.db2.gz AWXAGTGZBVMQNR-YGTFVGLLSA-N 0 3 397.541 0.272 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C(=O)N1c1ccccc1 ZINC000673263706 1199508506 /nfs/dbraw/zinc/50/85/06/1199508506.db2.gz BPXWYSWESWBSNW-NXHRZFHOSA-N 0 3 384.480 0.993 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000673288310 1199519781 /nfs/dbraw/zinc/51/97/81/1199519781.db2.gz JUUYJCGKRFBMPI-IEBWSBKVSA-N 0 3 388.512 0.859 20 0 GCADHN C[C@H](NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000673293079 1199522606 /nfs/dbraw/zinc/52/26/06/1199522606.db2.gz VJAKPVVHZQYEKA-ROUUACIJSA-N 0 3 394.560 0.984 20 0 GCADHN C[C@H]1COCCN1CCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000673293106 1199523172 /nfs/dbraw/zinc/52/31/72/1199523172.db2.gz YYYRPFOOHCXKMY-SFHVURJKSA-N 0 3 394.560 0.986 20 0 GCADHN CN(C)[C@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)c1ccc(F)cc1 ZINC000079653635 1199533057 /nfs/dbraw/zinc/53/30/57/1199533057.db2.gz CLFDYPPKAUATCF-QGZVFWFLSA-N 0 3 379.480 0.892 20 0 GCADHN Cn1nccc1N1CCC[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1=O ZINC000922173091 1199534368 /nfs/dbraw/zinc/53/43/68/1199534368.db2.gz XWTZGYRBHYLRCI-HOTGVXAUSA-N 0 3 390.488 0.468 20 0 GCADHN Cn1nccc1N1CCC[C@@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1=O ZINC000922173096 1199534460 /nfs/dbraw/zinc/53/44/60/1199534460.db2.gz XWTZGYRBHYLRCI-JKSUJKDBSA-N 0 3 390.488 0.468 20 0 GCADHN O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)N1CCCOCC1 ZINC000673330121 1199547973 /nfs/dbraw/zinc/54/79/73/1199547973.db2.gz FUMUZSZXCQCBKE-UHFFFAOYSA-N 0 3 375.469 0.508 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn4ccncc24)C3)C1 ZINC001003500212 1199568358 /nfs/dbraw/zinc/56/83/58/1199568358.db2.gz OIYMNENWCCXXGV-ABFRBSLYSA-N 0 3 382.468 0.933 20 0 GCADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000673353440 1199568636 /nfs/dbraw/zinc/56/86/36/1199568636.db2.gz QQFIZUJGQNFZPO-ROUUACIJSA-N 0 3 386.496 0.846 20 0 GCADHN CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ncccc13)C2)C1CC1 ZINC001003521963 1199578869 /nfs/dbraw/zinc/57/88/69/1199578869.db2.gz LWTSQTNFCPEBKH-LFVTVUPYSA-N 0 3 382.468 0.931 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000673370639 1199580816 /nfs/dbraw/zinc/58/08/16/1199580816.db2.gz HWAYUOFGNBFOLX-UHFFFAOYSA-N 0 3 394.560 0.938 20 0 GCADHN O=C(CN1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3nccnc3c1)C2 ZINC001003526259 1199582552 /nfs/dbraw/zinc/58/25/52/1199582552.db2.gz HAVDQBYWCJCXNY-INMHGKMJSA-N 0 3 380.452 0.982 20 0 GCADHN COCCn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCN1C ZINC001003584044 1199595554 /nfs/dbraw/zinc/59/55/54/1199595554.db2.gz ZIDRIZMRBWWLAO-AIANPOQGSA-N 0 3 375.473 0.485 20 0 GCADHN COCCN(C)CCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000068321841 1199601082 /nfs/dbraw/zinc/60/10/82/1199601082.db2.gz XEFZDAAYIAIKBC-UHFFFAOYSA-N 0 3 385.486 0.016 20 0 GCADHN COCc1nn(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCN1C ZINC001003650889 1199611465 /nfs/dbraw/zinc/61/14/65/1199611465.db2.gz FYFNMIVUWMHJRS-IRWJRLHMSA-N 0 3 375.473 0.522 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2)N(C)C ZINC001003686729 1199629304 /nfs/dbraw/zinc/62/93/04/1199629304.db2.gz QUIBLTNPNGXZLM-LGWLGOQQSA-N 0 3 375.473 0.228 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3n1CCOC3)C2)N(C)C ZINC001003698115 1199633139 /nfs/dbraw/zinc/63/31/39/1199633139.db2.gz GQPMRFGVBMPHRN-KBXIAJHMSA-N 0 3 375.473 0.615 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CCNC(=O)C1)C2)C1CCC1 ZINC001003710870 1199637553 /nfs/dbraw/zinc/63/75/53/1199637553.db2.gz JYEKIURBUWSALV-IHSNIMORSA-N 0 3 376.501 0.635 20 0 GCADHN CC(=O)N1CCC(NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000116922172 1199649637 /nfs/dbraw/zinc/64/96/37/1199649637.db2.gz MEUSLEREDGPYBM-UHFFFAOYSA-N 0 3 394.541 0.723 20 0 GCADHN CN(C)c1nc(N)nc(CN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)n1 ZINC000466363956 1199650565 /nfs/dbraw/zinc/65/05/65/1199650565.db2.gz HUYWTQRFRREIPV-LJQANCHMSA-N 0 3 396.455 0.216 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCC[S@@](C)=O)c(C)c2)CC1 ZINC000117067242 1199658437 /nfs/dbraw/zinc/65/84/37/1199658437.db2.gz KJZQVOWQCSAHCJ-MHZLTWQESA-N 0 3 394.541 0.960 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C3)CC1 ZINC001003907859 1199706324 /nfs/dbraw/zinc/70/63/24/1199706324.db2.gz SVMXWBSZTQZJLC-VQHPVUNQSA-N 0 3 376.501 0.493 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)NCCN(C)Cc2ccccc2)C1=O ZINC000499765245 1199715855 /nfs/dbraw/zinc/71/58/55/1199715855.db2.gz CUVHXWFNLVRWLT-INIZCTEOSA-N 0 3 376.457 0.582 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCCC1=O)C2)N(C)C ZINC001003939950 1199718916 /nfs/dbraw/zinc/71/89/16/1199718916.db2.gz DQZNERDGMZELCF-OAFZBRQQSA-N 0 3 378.517 0.833 20 0 GCADHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673510758 1199723730 /nfs/dbraw/zinc/72/37/30/1199723730.db2.gz CHKVKDWBVBDMIE-ABSDTBQOSA-N 0 3 384.480 0.883 20 0 GCADHN COc1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc(Cl)c1OCC(N)=O ZINC000673510877 1199723991 /nfs/dbraw/zinc/72/39/91/1199723991.db2.gz FQWZHHDUTMYZJN-STQMWFEESA-N 0 3 397.859 0.494 20 0 GCADHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673510759 1199724014 /nfs/dbraw/zinc/72/40/14/1199724014.db2.gz CHKVKDWBVBDMIE-FUHIMQAGSA-N 0 3 384.480 0.883 20 0 GCADHN CS(=O)(=O)N1CCCc2cc(C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)ccc21 ZINC000673514419 1199724975 /nfs/dbraw/zinc/72/49/75/1199724975.db2.gz NAXVUHMNSGMGOY-IRXDYDNUSA-N 0 3 393.509 0.680 20 0 GCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673518357 1199725743 /nfs/dbraw/zinc/72/57/43/1199725743.db2.gz WUYAAUUHFYPPFU-HUUCEWRRSA-N 0 3 381.498 0.574 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](N3CC[C@@H](O)C3)C1)C2=O ZINC000673517746 1199727305 /nfs/dbraw/zinc/72/73/05/1199727305.db2.gz OCOYQGUODVVNNL-KMFGOTIKSA-N 0 3 392.500 0.545 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000673519676 1199728124 /nfs/dbraw/zinc/72/81/24/1199728124.db2.gz AAFGVXWWDNOMIP-SJORKVTESA-N 0 3 377.485 0.733 20 0 GCADHN CS(=O)(=O)N1CCc2cc(C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)ccc21 ZINC000673515663 1199728919 /nfs/dbraw/zinc/72/89/19/1199728919.db2.gz OFSRHGJAFJCSDE-HOTGVXAUSA-N 0 3 379.482 0.290 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673514982 1199728950 /nfs/dbraw/zinc/72/89/50/1199728950.db2.gz LPCFQKHKJLKGCN-DLBZAZTESA-N 0 3 395.525 0.997 20 0 GCADHN CS(=O)(=O)N1CCc2cc(C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)ccc21 ZINC000673515660 1199729230 /nfs/dbraw/zinc/72/92/30/1199729230.db2.gz OFSRHGJAFJCSDE-CVEARBPZSA-N 0 3 379.482 0.290 20 0 GCADHN CS(=O)(=O)N1CCc2cc(C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)ccc21 ZINC000673515672 1199729494 /nfs/dbraw/zinc/72/94/94/1199729494.db2.gz OFSRHGJAFJCSDE-JKSUJKDBSA-N 0 3 379.482 0.290 20 0 GCADHN COc1ccc(CN2C[C@H](C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)CC2=O)cc1 ZINC000673516090 1199729510 /nfs/dbraw/zinc/72/95/10/1199729510.db2.gz USMZTNCHGIDTOX-SQNIBIBYSA-N 0 3 387.480 0.711 20 0 GCADHN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N[C@@H](CO)CN(C)C)cs2)c1 ZINC000673522891 1199729843 /nfs/dbraw/zinc/72/98/43/1199729843.db2.gz HOUCESQNIQPCMK-CYBMUJFWSA-N 0 3 392.481 0.991 20 0 GCADHN CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](CO)CN(C)C)cc(C(C)C)nc21 ZINC000673522199 1199733597 /nfs/dbraw/zinc/73/35/97/1199733597.db2.gz FHXOUBJNNVGFBQ-LLVKDONJSA-N 0 3 377.445 0.293 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000673520815 1199734031 /nfs/dbraw/zinc/73/40/31/1199734031.db2.gz LOSSJQXILWWVBT-INIZCTEOSA-N 0 3 383.514 0.442 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3nnn(C)c31)C2 ZINC001003984069 1199734552 /nfs/dbraw/zinc/73/45/52/1199734552.db2.gz SIDLJGWKFZPELM-VDNDLQMASA-N 0 3 382.468 0.924 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000673529958 1199735730 /nfs/dbraw/zinc/73/57/30/1199735730.db2.gz GCYSCHOZBHISQQ-LSDHHAIUSA-N 0 3 389.452 0.384 20 0 GCADHN Cc1nc(SCCC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)n[nH]1 ZINC000922344189 1199738412 /nfs/dbraw/zinc/73/84/12/1199738412.db2.gz ONTXGWPDUYJCBY-OAHLLOKOSA-N 0 3 382.534 0.508 20 0 GCADHN Cc1nc(SCCC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)n[nH]1 ZINC000922344176 1199738684 /nfs/dbraw/zinc/73/86/84/1199738684.db2.gz ONTXGWPDUYJCBY-HNNXBMFYSA-N 0 3 382.534 0.508 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000265858849 1199763603 /nfs/dbraw/zinc/76/36/03/1199763603.db2.gz YVGKNPLQULDBFM-MRXNPFEDSA-N 0 3 380.514 0.928 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NCc2ccccc2CN(C)C)c1 ZINC000265861069 1199765330 /nfs/dbraw/zinc/76/53/30/1199765330.db2.gz DOZSZUOQECNIPZ-UHFFFAOYSA-N 0 3 394.497 0.931 20 0 GCADHN CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3nccn3c1)C2)C1CC1 ZINC001004103573 1199774228 /nfs/dbraw/zinc/77/42/28/1199774228.db2.gz FGICBKGJOYIUOH-WCXIOVBPSA-N 0 3 382.468 0.931 20 0 GCADHN O=C(Nc1ccnc(OCCO)c1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000657827728 1199777961 /nfs/dbraw/zinc/77/79/61/1199777961.db2.gz QBSRMYLDYITDFG-MRXNPFEDSA-N 0 3 376.457 0.868 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)CC1=O ZINC000673549672 1199784679 /nfs/dbraw/zinc/78/46/79/1199784679.db2.gz KOYOSSCULFBHGZ-LBPRGKRZSA-N 0 3 389.378 0.404 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(=O)[nH]c3ccccc32)CC1=O ZINC000673550010 1199784877 /nfs/dbraw/zinc/78/48/77/1199784877.db2.gz QWWXFJIPRCJLTD-CQSZACIVSA-N 0 3 386.452 0.849 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)N1CCC(C)CC1 ZINC000671872403 1199794626 /nfs/dbraw/zinc/79/46/26/1199794626.db2.gz IEWSNKNABCBWDN-ZWKOTPCHSA-N 0 3 380.533 0.546 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000922518758 1199808082 /nfs/dbraw/zinc/80/80/82/1199808082.db2.gz PMCYIOIOAWFJQK-CUSZFKRNSA-N 0 3 380.489 0.365 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1OC ZINC000499928703 1199816067 /nfs/dbraw/zinc/81/60/67/1199816067.db2.gz MERADKFNEMAXJI-HNNXBMFYSA-N 0 3 399.513 0.786 20 0 GCADHN CCC[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)C(N)=O ZINC000508944057 1199816413 /nfs/dbraw/zinc/81/64/13/1199816413.db2.gz XIRYZXBCHJTDBV-KRWDZBQOSA-N 0 3 389.500 0.846 20 0 GCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000673592845 1199838194 /nfs/dbraw/zinc/83/81/94/1199838194.db2.gz ZAPYZDDEAOJGKI-MRXNPFEDSA-N 0 3 397.545 0.641 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cnnn2-c2ccccc2)C1 ZINC000624954372 1199854495 /nfs/dbraw/zinc/85/44/95/1199854495.db2.gz UXXTULUWYPZPAD-CQSZACIVSA-N 0 3 392.485 0.133 20 0 GCADHN C[NH+]1CCN(C(=N)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cn2)CC1 ZINC001168734907 1199871391 /nfs/dbraw/zinc/87/13/91/1199871391.db2.gz DDJLJBYIENZYQZ-UHFFFAOYSA-N 0 3 381.487 0.933 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(OC)cc[nH]c1=O)C2)N(C)C ZINC001004404099 1199877022 /nfs/dbraw/zinc/87/70/22/1199877022.db2.gz RNAZYLIANDXZRE-SYQHCUMBSA-N 0 3 376.457 0.998 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccccc2Cn2cncn2)CC1 ZINC000173066389 1199877590 /nfs/dbraw/zinc/87/75/90/1199877590.db2.gz SGGQJWQAZOTPJB-UHFFFAOYSA-N 0 3 384.484 0.953 20 0 GCADHN CN1CCN(C(=N)Nc2ncc(C(=O)N3CCC[C@@H]3C(N)=O)cc2Cl)CC1 ZINC001168735548 1199879092 /nfs/dbraw/zinc/87/90/92/1199879092.db2.gz BOASYCXIDMRSTB-CYBMUJFWSA-N 0 3 393.879 0.419 20 0 GCADHN COC(=O)[C@@H]1CN([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1C ZINC000280837526 1199884491 /nfs/dbraw/zinc/88/44/91/1199884491.db2.gz WRTUYABSCABFBZ-QLFBSQMISA-N 0 3 377.441 0.693 20 0 GCADHN CS(=O)(=O)NC1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000673632875 1199896750 /nfs/dbraw/zinc/89/67/50/1199896750.db2.gz HBGDZBFCSCTDCT-UHFFFAOYSA-N 0 3 394.541 0.739 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(N)=O)cn1C)C2)N(C)C ZINC001004597618 1199905126 /nfs/dbraw/zinc/90/51/26/1199905126.db2.gz OMBXGTWNTULDQK-TUVASFSCSA-N 0 3 375.473 0.326 20 0 GCADHN CN(C)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000265911384 1199917914 /nfs/dbraw/zinc/91/79/14/1199917914.db2.gz FDBFZYMWMWUSFZ-UHFFFAOYSA-N 0 3 388.465 0.519 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cccc(Cn3cncn3)c2)CC1 ZINC000625244291 1199922494 /nfs/dbraw/zinc/92/24/94/1199922494.db2.gz ORSPTMNZGNPVBV-UHFFFAOYSA-N 0 3 382.468 0.707 20 0 GCADHN COC(=O)[C@]1(C)CN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C ZINC000282428522 1199925881 /nfs/dbraw/zinc/92/58/81/1199925881.db2.gz CZJSBTDWMCOJDY-ZRGWGRIASA-N 0 3 375.473 0.645 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)CC1=O ZINC000673673438 1199927366 /nfs/dbraw/zinc/92/73/66/1199927366.db2.gz QOLSPYFQEKWAJV-MRXNPFEDSA-N 0 3 386.496 0.442 20 0 GCADHN CN1C(=O)CN(CC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1=O ZINC000625402578 1199947839 /nfs/dbraw/zinc/94/78/39/1199947839.db2.gz OFXWKBLDKRQHMD-UHFFFAOYSA-N 0 3 380.489 0.810 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCCCC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000625451337 1199957856 /nfs/dbraw/zinc/95/78/56/1199957856.db2.gz JWKRDOGMNSPXCR-BBWFWOEESA-N 0 3 376.501 0.779 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc(C)ccc1=O)C2)N(C)C ZINC001004789960 1199959932 /nfs/dbraw/zinc/95/99/32/1199959932.db2.gz FYZYTHTYWSLWBL-WCVJEAGWSA-N 0 3 375.473 0.140 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000673845018 1199961101 /nfs/dbraw/zinc/96/11/01/1199961101.db2.gz PMVSYJPMBLNSBA-KRWDZBQOSA-N 0 3 382.505 0.119 20 0 GCADHN C/C=C/C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000625464159 1199963526 /nfs/dbraw/zinc/96/35/26/1199963526.db2.gz DDTGWPGJORAHPF-DCKQQPRJSA-N 0 3 390.528 0.958 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1csc(N(C)C)n1 ZINC000673876917 1199967042 /nfs/dbraw/zinc/96/70/42/1199967042.db2.gz KGMZCRTTYAZARE-AWEZNQCLSA-N 0 3 382.534 0.951 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C(N)=O)ccn1 ZINC001004814318 1199969577 /nfs/dbraw/zinc/96/95/77/1199969577.db2.gz HSQBGJWYQPFXPQ-XPKDYRNWSA-N 0 3 382.424 0.316 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)S(C)(=O)=O ZINC001004816825 1199970724 /nfs/dbraw/zinc/97/07/24/1199970724.db2.gz LVZAZFSGCPCRJJ-BNOWGMLFSA-N 0 3 382.486 0.332 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)c3nc4n(n3)CCCN4)cc2)CC1 ZINC000673924926 1199981920 /nfs/dbraw/zinc/98/19/20/1199981920.db2.gz VCHNBFXGGFJHCX-UHFFFAOYSA-N 0 3 383.500 0.419 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)[C@H](C)C1=O ZINC000625520590 1199992126 /nfs/dbraw/zinc/99/21/26/1199992126.db2.gz QGWZDNBQIWXPRX-NVXWUHKLSA-N 0 3 378.517 0.835 20 0 GCADHN C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc([N-]S(C)(=O)=O)nc3)C2)CC1 ZINC000625519829 1199994741 /nfs/dbraw/zinc/99/47/41/1199994741.db2.gz QPZOKEBCJIHAND-AWEZNQCLSA-N 0 3 381.502 0.351 20 0 GCADHN CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N-]S(C)(=O)=O)nc3)C2)CC1 ZINC000625519829 1199994750 /nfs/dbraw/zinc/99/47/50/1199994750.db2.gz QPZOKEBCJIHAND-AWEZNQCLSA-N 0 3 381.502 0.351 20 0 GCADHN CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N-]S(C)(=O)=O)nc3)C2)CC1 ZINC000625519829 1199994751 /nfs/dbraw/zinc/99/47/51/1199994751.db2.gz QPZOKEBCJIHAND-AWEZNQCLSA-N 0 3 381.502 0.351 20 0 GCADHN CC(=O)N1CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)N2CCCC2)C3)C1 ZINC001004906649 1200004204 /nfs/dbraw/zinc/00/42/04/1200004204.db2.gz PHZZZEPEGIKACR-ZACQAIPSSA-N 0 3 376.501 0.587 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CCNC1=O)N1CCCC1 ZINC001004913899 1200009435 /nfs/dbraw/zinc/00/94/35/1200009435.db2.gz OQIZWUULJQTKKC-JJXSEGSLSA-N 0 3 376.501 0.635 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC(=O)NC1)N1CCCC1 ZINC001004912663 1200009665 /nfs/dbraw/zinc/00/96/65/1200009665.db2.gz ITEXQOSUEASWPO-FPCVCCKLSA-N 0 3 376.501 0.635 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001004914754 1200010962 /nfs/dbraw/zinc/01/09/62/1200010962.db2.gz TUYUHDIRLIDGQO-BIVLZKPYSA-N 0 3 379.501 0.913 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@]1(C)CNC(=O)C1)N1CCCC1 ZINC001004915287 1200011046 /nfs/dbraw/zinc/01/10/46/1200011046.db2.gz YHNCXOUDLDHQSV-ZOZBEKFXSA-N 0 3 376.501 0.635 20 0 GCADHN CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCNC1=O)C2)N1CCCCC1 ZINC001004939372 1200021735 /nfs/dbraw/zinc/02/17/35/1200021735.db2.gz RDLXTJQVHNCKSJ-QXSJWSMHSA-N 0 3 376.501 0.635 20 0 GCADHN Cc1c(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)cnn1-c1ccccn1 ZINC000282476611 1200025899 /nfs/dbraw/zinc/02/58/99/1200025899.db2.gz IUHUCKPZOXPLLE-UHFFFAOYSA-N 0 3 392.529 0.880 20 0 GCADHN Cc1c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nnn1Cc1ccncc1 ZINC000509188336 1200063405 /nfs/dbraw/zinc/06/34/05/1200063405.db2.gz ZOJGOZBMLRIKCP-QGZVFWFLSA-N 0 3 399.499 0.702 20 0 GCADHN Cc1c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nnn1Cc1ccncc1 ZINC000509188331 1200063426 /nfs/dbraw/zinc/06/34/26/1200063426.db2.gz ZOJGOZBMLRIKCP-KRWDZBQOSA-N 0 3 399.499 0.702 20 0 GCADHN CCn1cnnc1-c1ccccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000543530455 1200072238 /nfs/dbraw/zinc/07/22/38/1200072238.db2.gz CCZKFZPZKIGCDR-UHFFFAOYSA-N 0 3 399.499 0.657 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000058882816 1200109657 /nfs/dbraw/zinc/10/96/57/1200109657.db2.gz DWFUDALCNLXPBD-UHFFFAOYSA-N 0 3 387.502 0.960 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000543552232 1200114361 /nfs/dbraw/zinc/11/43/61/1200114361.db2.gz PEUFTMVBZKWJGY-ZDUSSCGKSA-N 0 3 394.497 0.405 20 0 GCADHN O=C(CN1CCCC1)N1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000171437215 1200215117 /nfs/dbraw/zinc/21/51/17/1200215117.db2.gz MWJICJODURXKBO-GOSISDBHSA-N 0 3 384.480 0.554 20 0 GCADHN COC1CCN(CCNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000674310226 1200218498 /nfs/dbraw/zinc/21/84/98/1200218498.db2.gz XAGZPYNPGWXAQJ-LBPRGKRZSA-N 0 3 388.490 0.185 20 0 GCADHN COC1CCN(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000674311674 1200218915 /nfs/dbraw/zinc/21/89/15/1200218915.db2.gz KXYIZFFVNWFVDN-AUUYWEPGSA-N 0 3 380.489 0.714 20 0 GCADHN COC1CCN(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000674310871 1200218932 /nfs/dbraw/zinc/21/89/32/1200218932.db2.gz SSZFFDBCFBPWKA-HNNXBMFYSA-N 0 3 383.514 0.889 20 0 GCADHN COC1CCN(CCNC(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000674327037 1200220627 /nfs/dbraw/zinc/22/06/27/1200220627.db2.gz JYEKFQCNSOQONT-UHFFFAOYSA-N 0 3 380.464 0.894 20 0 GCADHN COc1ccc(C(=O)NCC(=O)NCCN2CCC(OC)CC2)cc1OC ZINC000674325907 1200221243 /nfs/dbraw/zinc/22/12/43/1200221243.db2.gz PECHJQAUKHGIOH-UHFFFAOYSA-N 0 3 379.457 0.661 20 0 GCADHN COC1CCN(CCNC(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000674326706 1200221446 /nfs/dbraw/zinc/22/14/46/1200221446.db2.gz LPWJTUSGDHVLAZ-UHFFFAOYSA-N 0 3 377.489 0.828 20 0 GCADHN COC1CCN(CCNC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000674331492 1200225867 /nfs/dbraw/zinc/22/58/67/1200225867.db2.gz HLLXBOGYRNZIBP-XJKSGUPXSA-N 0 3 378.477 0.324 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCC(=O)NC1)C2)C1CCC1 ZINC001005270741 1200233594 /nfs/dbraw/zinc/23/35/94/1200233594.db2.gz DLGGIXQDBYOXPT-DICRZQGBSA-N 0 3 376.501 0.635 20 0 GCADHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC)n2CCN2CC=CCC2)C1 ZINC001746540864 1200235387 /nfs/dbraw/zinc/23/53/87/1200235387.db2.gz VWJFXUXBHWRNDN-OAHLLOKOSA-N 0 3 382.534 0.620 20 0 GCADHN CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(C)(C)C1 ZINC001005313543 1200248203 /nfs/dbraw/zinc/24/82/03/1200248203.db2.gz XYQHTUVRLUGSRQ-LVQVYYBASA-N 0 3 376.501 0.587 20 0 GCADHN CC(C)N1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001005339482 1200260463 /nfs/dbraw/zinc/26/04/63/1200260463.db2.gz UNGBNTQYLSXBIW-ZJPYXAASSA-N 0 3 378.517 0.440 20 0 GCADHN CC(=O)NC[C@@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000172139143 1200260490 /nfs/dbraw/zinc/26/04/90/1200260490.db2.gz VCTAHXSGYHBTJC-HXUWFJFHSA-N 0 3 388.512 0.952 20 0 GCADHN CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033908441 1200295275 /nfs/dbraw/zinc/29/52/75/1200295275.db2.gz RCTZLZUBXCHYRM-CADBVGFASA-N 0 3 376.501 0.937 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CN1C1CC1 ZINC000674689309 1200308014 /nfs/dbraw/zinc/30/80/14/1200308014.db2.gz KSJKGJVEEZBNRA-ZIAGYGMSSA-N 0 3 396.513 0.401 20 0 GCADHN Cn1ncc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@H]3CCCN3C)cnc21 ZINC001005519274 1200331617 /nfs/dbraw/zinc/33/16/17/1200331617.db2.gz HIWBNFUOIRBNLC-WCXIOVBPSA-N 0 3 382.468 0.924 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674930063 1200334783 /nfs/dbraw/zinc/33/47/83/1200334783.db2.gz YUFXPYMOJSYBMD-GVDBMIGSSA-N 0 3 382.505 0.519 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674930061 1200335239 /nfs/dbraw/zinc/33/52/39/1200335239.db2.gz YUFXPYMOJSYBMD-BBWFWOEESA-N 0 3 382.505 0.519 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429240851 1200335316 /nfs/dbraw/zinc/33/53/16/1200335316.db2.gz ZABQULGKCVDDDN-GFCCVEGCSA-N 0 3 391.449 0.744 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000675134397 1200355202 /nfs/dbraw/zinc/35/52/02/1200355202.db2.gz FSDZTAZWUDBISN-ZYSHUDEJSA-N 0 3 386.496 0.893 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000675135904 1200355319 /nfs/dbraw/zinc/35/53/19/1200355319.db2.gz AEYVHDQGZLJAKR-BBRMVZONSA-N 0 3 396.513 0.259 20 0 GCADHN CC(C)(C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCCC1 ZINC001061749495 1200356419 /nfs/dbraw/zinc/35/64/19/1200356419.db2.gz HJSLDFWLFZBQPH-RFSXOUPVSA-N 0 3 391.512 0.628 20 0 GCADHN CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CNC(=O)N1)C2)N1CCCCC1 ZINC001005642247 1200391658 /nfs/dbraw/zinc/39/16/58/1200391658.db2.gz UQNAUCULHBLFFA-TUVASFSCSA-N 0 3 377.489 0.180 20 0 GCADHN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000675402474 1200393645 /nfs/dbraw/zinc/39/36/45/1200393645.db2.gz VBAHQJHMAHCJDO-HNNXBMFYSA-N 0 3 397.472 0.909 20 0 GCADHN CCOC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCO1 ZINC000625744029 1200401029 /nfs/dbraw/zinc/40/10/29/1200401029.db2.gz LIXOWBZIXKXGJX-MOPGFXCFSA-N 0 3 389.496 0.983 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)ccc1OC ZINC000675539059 1200428370 /nfs/dbraw/zinc/42/83/70/1200428370.db2.gz TUXFGHQXBQISNH-HNNXBMFYSA-N 0 3 397.497 0.586 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000675541515 1200428485 /nfs/dbraw/zinc/42/84/85/1200428485.db2.gz UYGNGZKDTGSDLZ-SJLPKXTDSA-N 0 3 385.464 0.875 20 0 GCADHN NC(=O)c1csc(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)n1 ZINC000658505331 1200429982 /nfs/dbraw/zinc/42/99/82/1200429982.db2.gz ABBXTLMYMOQCJZ-LBPRGKRZSA-N 0 3 379.486 0.335 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000675831028 1200463474 /nfs/dbraw/zinc/46/34/74/1200463474.db2.gz BEYSJJSQDSOIMA-HNNXBMFYSA-N 0 3 387.440 0.788 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(-c2ccncc2)n1 ZINC000675916259 1200467443 /nfs/dbraw/zinc/46/74/43/1200467443.db2.gz FSXYYTCEKBYBSZ-KRWDZBQOSA-N 0 3 382.468 0.861 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000675917925 1200468184 /nfs/dbraw/zinc/46/81/84/1200468184.db2.gz JUMISIMLSJKYLI-GOSISDBHSA-N 0 3 382.468 0.705 20 0 GCADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001129118753 1200469467 /nfs/dbraw/zinc/46/94/67/1200469467.db2.gz OUXOTOIYKAAALZ-AXSMETJDSA-N 0 3 375.473 0.470 20 0 GCADHN CSc1ccncc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000675937093 1200472233 /nfs/dbraw/zinc/47/22/33/1200472233.db2.gz HBLFHZDVMRFUCP-CQSZACIVSA-N 0 3 391.497 0.507 20 0 GCADHN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676344548 1200545580 /nfs/dbraw/zinc/54/55/80/1200545580.db2.gz DIOAQCHRRSFLRO-ZACQAIPSSA-N 0 3 377.485 0.921 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000676344477 1200545622 /nfs/dbraw/zinc/54/56/22/1200545622.db2.gz NJENPKKLZBKLGU-MRXNPFEDSA-N 0 3 381.498 0.920 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676342313 1200546337 /nfs/dbraw/zinc/54/63/37/1200546337.db2.gz GLGUGDHTBWEAQK-HOCLYGCPSA-N 0 3 381.498 0.723 20 0 GCADHN CN(CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)CC(C)(C)C ZINC001061925206 1200560832 /nfs/dbraw/zinc/56/08/32/1200560832.db2.gz PFPNOMOLFUWJAM-VQHPVUNQSA-N 0 3 381.517 0.875 20 0 GCADHN CN(CCC1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)[C@@H]1CCNC1=O ZINC001036603345 1200591216 /nfs/dbraw/zinc/59/12/16/1200591216.db2.gz HMQKMFZGHWYDQC-WNRNVDISSA-N 0 3 379.501 0.487 20 0 GCADHN CCCCCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001129261729 1200593647 /nfs/dbraw/zinc/59/36/47/1200593647.db2.gz HYXCFNNSZQHCCG-FXUDXRNXSA-N 0 3 378.477 0.233 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)C1=CCN(C)CC1 ZINC000442333889 1200663051 /nfs/dbraw/zinc/66/30/51/1200663051.db2.gz DFNHSBMRSWZEIA-HNNXBMFYSA-N 0 3 382.468 1.226 20 0 GCADHN CN1CCN(CCNc2ccc(S(=O)(=O)NCC3CC3)cn2)CC1(C)C ZINC000440672967 1200682862 /nfs/dbraw/zinc/68/28/62/1200682862.db2.gz MKAPGRCPLDXGFH-UHFFFAOYSA-N 0 3 381.546 1.208 20 0 GCADHN CN1CC[C@](O)(CNC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1 ZINC000547289992 1200687120 /nfs/dbraw/zinc/68/71/20/1200687120.db2.gz LGFGBLUSWXLPKC-HNNXBMFYSA-N 0 3 384.362 1.474 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1 ZINC000547289994 1200687565 /nfs/dbraw/zinc/68/75/65/1200687565.db2.gz LGFGBLUSWXLPKC-OAHLLOKOSA-N 0 3 384.362 1.474 20 0 GCADHN C[C@H]1CN(C(=O)Nc2cc(OC(F)F)n(C)n2)CC[C@@H]1N1CCN(C)CC1 ZINC000548655648 1200692625 /nfs/dbraw/zinc/69/26/25/1200692625.db2.gz UPYBKTQGZWUQBH-STQMWFEESA-N 0 3 386.447 1.511 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)C1 ZINC000562875774 1200696575 /nfs/dbraw/zinc/69/65/75/1200696575.db2.gz GCQRACREHXSQMO-INIZCTEOSA-N 0 3 399.499 1.352 20 0 GCADHN CNc1nnc(CC(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)s1 ZINC000546790140 1200767722 /nfs/dbraw/zinc/76/77/22/1200767722.db2.gz JOFCOKRBBPHHKI-CYBMUJFWSA-N 0 3 388.497 1.458 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN[C@H]2Cc3cccc(O)c3C2)cc1 ZINC000429318114 1200787937 /nfs/dbraw/zinc/78/79/37/1200787937.db2.gz MMCVMIOLPACWNY-HNNXBMFYSA-N 0 3 389.477 0.455 20 0 GCADHN Cc1cc(NC(=O)CC[NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2F)no1 ZINC000576392697 1200834445 /nfs/dbraw/zinc/83/44/45/1200834445.db2.gz DOPRQDXPBLIWIX-UHFFFAOYSA-N 0 3 388.396 1.158 20 0 GCADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)NC[C@]2(O)CN3CCC2CC3)no1 ZINC000552025182 1200895943 /nfs/dbraw/zinc/89/59/43/1200895943.db2.gz CDUBHELDVAFGFR-SJCJKPOMSA-N 0 3 382.486 0.616 20 0 GCADHN COc1cc(CN[C@H]2CC(=O)N3CCCC[C@@H]23)cc(OC)c1OCC(N)=O ZINC000509407315 1201024575 /nfs/dbraw/zinc/02/45/75/1201024575.db2.gz ZUEFJVBYYFWNOB-KBPBESRZSA-N 0 3 377.441 0.811 20 0 GCADHN COCc1cc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)ccc1OC ZINC000635054375 1201025201 /nfs/dbraw/zinc/02/52/01/1201025201.db2.gz MZBUALGKRRXNQE-UHFFFAOYSA-N 0 3 392.500 0.924 20 0 GCADHN COc1cncc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)n1 ZINC000565076500 1201026129 /nfs/dbraw/zinc/02/61/29/1201026129.db2.gz JBROCHCDXBDYJM-UHFFFAOYSA-N 0 3 375.404 1.153 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)NCc2ccccc2CN2CCC(O)CC2)n1 ZINC000553493054 1201086136 /nfs/dbraw/zinc/08/61/36/1201086136.db2.gz OXADIOMOQIYKEQ-UHFFFAOYSA-N 0 3 385.472 0.407 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)CC1 ZINC000468745126 1201088799 /nfs/dbraw/zinc/08/87/99/1201088799.db2.gz QCFHULWJSJCWPC-ZDUSSCGKSA-N 0 3 388.520 0.256 20 0 GCADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000573377970 1201123065 /nfs/dbraw/zinc/12/30/65/1201123065.db2.gz ZUEIRCSRKMFTBP-GOEBONIOSA-N 0 3 397.483 0.856 20 0 GCADHN Cc1cccc2nc(CN3CC[C@H](N(C)Cc4cc(=O)[nH]c(N)n4)C3)cc(=O)n12 ZINC000481779884 1201144283 /nfs/dbraw/zinc/14/42/83/1201144283.db2.gz OVSZXMBKRFPKSL-INIZCTEOSA-N 0 3 395.467 0.787 20 0 GCADHN Cc1cccc2nc(CN3CC[C@@H](N(C)Cc4cc(=O)[nH]c(N)n4)C3)cc(=O)n12 ZINC000481779885 1201144699 /nfs/dbraw/zinc/14/46/99/1201144699.db2.gz OVSZXMBKRFPKSL-MRXNPFEDSA-N 0 3 395.467 0.787 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)c3nc(N)nc(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000561215708 1201145538 /nfs/dbraw/zinc/14/55/38/1201145538.db2.gz SSQSLUOZPWWDAX-STQMWFEESA-N 0 3 377.493 0.481 20 0 GCADHN CC(C)N1CC[C@@H](NCC2(O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O ZINC000946924703 1201158097 /nfs/dbraw/zinc/15/80/97/1201158097.db2.gz JJCODZLFAKGDMA-SUMCQTLJSA-N 0 3 391.512 0.362 20 0 GCADHN COc1ccccc1NC(=O)C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923587364 1201166742 /nfs/dbraw/zinc/16/67/42/1201166742.db2.gz NCALGQUAVFUHKK-UHFFFAOYSA-N 0 3 382.486 0.496 20 0 GCADHN COC(=O)c1ccc(N2CCN(C(=O)[C@H]3CN4CCN3CCC4)[C@H](C)C2)cc1 ZINC000611202648 1201223779 /nfs/dbraw/zinc/22/37/79/1201223779.db2.gz AAOZSRSQOJMWKQ-VQIMIIECSA-N 0 3 386.496 0.900 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CN(CC3CC3)C[C@H]2O)O1 ZINC001079143775 1201247116 /nfs/dbraw/zinc/24/71/16/1201247116.db2.gz MZAYHSXTLVILPL-AKHDSKFASA-N 0 3 387.480 0.503 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(CCN(Cc3ccccn3)CC2)[C@H]2COC[C@H]21 ZINC001079260996 1201250781 /nfs/dbraw/zinc/25/07/81/1201250781.db2.gz ZUHWLHCTZBMERW-VSZNYVQBSA-N 0 3 384.480 0.642 20 0 GCADHN C[C@@H](NCCNS(=O)(=O)Cc1ccon1)c1cccc(-n2cnnn2)c1 ZINC000162328927 1201262515 /nfs/dbraw/zinc/26/25/15/1201262515.db2.gz JJURSRQMJKZZRS-GFCCVEGCSA-N 0 3 377.430 0.421 20 0 GCADHN Cc1ccccc1OCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001080436146 1201271516 /nfs/dbraw/zinc/27/15/16/1201271516.db2.gz JOCMHZZGKHSNQZ-XYVMCAHJSA-N 0 3 375.469 0.843 20 0 GCADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001080475571 1201276419 /nfs/dbraw/zinc/27/64/19/1201276419.db2.gz SOFMUCFPNMOKCN-XLNGHYISSA-N 0 3 385.468 0.564 20 0 GCADHN CC[C@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1)N(C)C ZINC001080925186 1201285823 /nfs/dbraw/zinc/28/58/23/1201285823.db2.gz IYWFVNWASVIWAC-MWDXBVQZSA-N 0 3 381.517 0.611 20 0 GCADHN CO[C@@H]1CN(CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001081683847 1201298209 /nfs/dbraw/zinc/29/82/09/1201298209.db2.gz QSNSIDGHLCIKKL-VDHUWJSZSA-N 0 3 381.517 0.923 20 0 GCADHN CO[C@@H]1CN(CCC2CC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001082131703 1201315925 /nfs/dbraw/zinc/31/59/25/1201315925.db2.gz UYLFVRUSZAXWRB-XMTFNYHQSA-N 0 3 379.501 0.772 20 0 GCADHN CO[C@@H]1CN(CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001082139190 1201317639 /nfs/dbraw/zinc/31/76/39/1201317639.db2.gz HONQJOBQPBCWRZ-BSDSXHPESA-N 0 3 381.517 0.733 20 0 GCADHN CO[C@@H]1CN(CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001082130409 1201322522 /nfs/dbraw/zinc/32/25/22/1201322522.db2.gz KJINSUCOXISMES-YYIAUSFCSA-N 0 3 383.489 0.042 20 0 GCADHN CNC(=O)c1cccc(CN[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@H]2C)c1 ZINC001082518069 1201336493 /nfs/dbraw/zinc/33/64/93/1201336493.db2.gz XZPDZTSXHBDCGY-DTTOXWODSA-N 0 3 386.496 0.897 20 0 GCADHN COc1ncc(CN[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)c(C)n1 ZINC001082590284 1201340633 /nfs/dbraw/zinc/34/06/33/1201340633.db2.gz MYVFQZGXTCTMBI-BQGCOEIASA-N 0 3 377.489 0.449 20 0 GCADHN COc1cccc(CN[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)n1 ZINC001082651350 1201343000 /nfs/dbraw/zinc/34/30/00/1201343000.db2.gz YEXBZDLDJQAPKI-DZUCGIPZSA-N 0 3 390.484 0.840 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NCC(=O)N1CCCCC1 ZINC001082658685 1201344155 /nfs/dbraw/zinc/34/41/55/1201344155.db2.gz RKSULFAHOSEXOT-DIKXUDHVSA-N 0 3 379.501 0.487 20 0 GCADHN CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001082727977 1201344824 /nfs/dbraw/zinc/34/48/24/1201344824.db2.gz ROXUYCPBYGRYPL-MWQQHZPXSA-N 0 3 378.517 0.583 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC001082738765 1201345130 /nfs/dbraw/zinc/34/51/30/1201345130.db2.gz DMLMMPBEHUQMDR-QPKOPYBWSA-N 0 3 389.456 0.029 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)N1CCc2sccc2C1 ZINC001082745323 1201346986 /nfs/dbraw/zinc/34/69/86/1201346986.db2.gz QRJANCUSASYTDW-REBRKWNGSA-N 0 3 390.509 0.191 20 0 GCADHN CCOc1ccc(C2(CNS(=O)(=O)N3CCNCC3)CCOCC2)cc1 ZINC000923593891 1201364639 /nfs/dbraw/zinc/36/46/39/1201364639.db2.gz DMKSKZFRIOPWJR-UHFFFAOYSA-N 0 3 383.514 0.873 20 0 GCADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H]3CCCN3C)C2)no1 ZINC000532807742 1201368069 /nfs/dbraw/zinc/36/80/69/1201368069.db2.gz VMGKDLIXZOQXKG-HUUCEWRRSA-N 0 3 378.477 0.859 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN(C)CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000533597111 1201369135 /nfs/dbraw/zinc/36/91/35/1201369135.db2.gz VQISGFWGZIHAOC-XHSDSOJGSA-N 0 3 375.469 0.685 20 0 GCADHN CN1Cc2ccccc2[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000535294461 1201369830 /nfs/dbraw/zinc/36/98/30/1201369830.db2.gz NICZSCMLCMGPPK-FQEVSTJZSA-N 0 3 389.544 0.862 20 0 GCADHN CCn1cc(CCN2C[C@H]3OCCN(C(=O)[C@@H]4C[C@H]4c4cnc[nH]4)[C@H]3C2)cn1 ZINC001083110179 1201378114 /nfs/dbraw/zinc/37/81/14/1201378114.db2.gz PKQSSOBLWFORIP-ZAWLATJESA-N 0 3 384.484 0.884 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCO[C@@H]2CN(CCCC3CCOCC3)C[C@@H]21 ZINC001083109833 1201378239 /nfs/dbraw/zinc/37/82/39/1201378239.db2.gz VLABCOHAIMHWFE-KANFNMMFSA-N 0 3 382.501 0.909 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@@H](C3OCCO3)C2)CC1 ZINC000728052647 1201394115 /nfs/dbraw/zinc/39/41/15/1201394115.db2.gz ABNIADCXWCWXJL-MRXNPFEDSA-N 0 3 396.532 0.130 20 0 GCADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@]2(O)CCSC2)cc1 ZINC000498280032 1201404451 /nfs/dbraw/zinc/40/44/51/1201404451.db2.gz WQVTVWXESKZXRT-LJQANCHMSA-N 0 3 377.510 0.996 20 0 GCADHN CC(C)N1CC[C@@H](NCC2(O)CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O ZINC000946927602 1201406948 /nfs/dbraw/zinc/40/69/48/1201406948.db2.gz LIHATRUGAMZAJI-VQHPVUNQSA-N 0 3 379.501 0.506 20 0 GCADHN CS(=O)(=O)c1ccc(OCCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000730067996 1201433856 /nfs/dbraw/zinc/43/38/56/1201433856.db2.gz ZGHZKRACRZEQQZ-GDBMZVCRSA-N 0 3 397.497 0.631 20 0 GCADHN COc1ccc(COC[C@H](O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000730569853 1201456125 /nfs/dbraw/zinc/45/61/25/1201456125.db2.gz AJSUFYYZZMCISI-JKSUJKDBSA-N 0 3 387.502 0.078 20 0 GCADHN COCCN1CC[C@H](NC(=O)Nc2ccccc2CN2C(=O)CNC2=O)C1 ZINC000730818630 1201465594 /nfs/dbraw/zinc/46/55/94/1201465594.db2.gz POTXLLJBUAUMLZ-AWEZNQCLSA-N 0 3 375.429 0.581 20 0 GCADHN CCNS(=O)(=O)CCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000731759430 1201501913 /nfs/dbraw/zinc/50/19/13/1201501913.db2.gz MWMBOJGKQZEUNQ-UHFFFAOYSA-N 0 3 397.545 0.669 20 0 GCADHN CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001084942399 1201504062 /nfs/dbraw/zinc/50/40/62/1201504062.db2.gz TXNSSIWGRMYWFU-OWSLCNJRSA-N 0 3 378.517 0.996 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CCN(CC(=O)N4CCCCC4)[C@H]3C2)O1 ZINC001084970190 1201514297 /nfs/dbraw/zinc/51/42/97/1201514297.db2.gz SIPIPAMYQPTIGI-AKHDSKFASA-N 0 3 392.544 0.641 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)OCC(F)(F)F ZINC000732068191 1201516370 /nfs/dbraw/zinc/51/63/70/1201516370.db2.gz MZBRLCDIAJTYBE-LLVKDONJSA-N 0 3 382.383 0.334 20 0 GCADHN C[C@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)N(C)Cc1ccccc1 ZINC000732244850 1201528096 /nfs/dbraw/zinc/52/80/96/1201528096.db2.gz OACZNYJCVUUVOL-MRXNPFEDSA-N 0 3 398.529 0.468 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CCN(CCc4ccns4)[C@H]3C2)O1 ZINC001085031187 1201551634 /nfs/dbraw/zinc/55/16/34/1201551634.db2.gz LTKNTTVXXTXGLK-SYAUCNOPSA-N 0 3 378.498 0.641 20 0 GCADHN CC(C)(C)n1nnc(CCN2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)n1 ZINC001085034054 1201552709 /nfs/dbraw/zinc/55/27/09/1201552709.db2.gz RBMMREMOXHBXCQ-KBXIAJHMSA-N 0 3 389.504 0.015 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@H]2CCN(CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001085039755 1201557145 /nfs/dbraw/zinc/55/71/45/1201557145.db2.gz NZVLWJSYPXEFQV-SUJAAXHWSA-N 0 3 376.457 0.029 20 0 GCADHN CCN1CCN(CCNC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733161041 1201578438 /nfs/dbraw/zinc/57/84/38/1201578438.db2.gz GYBSFLLVGVRJIS-JXAWBTAJSA-N 0 3 387.463 0.872 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)C1 ZINC000282599783 1201615978 /nfs/dbraw/zinc/61/59/78/1201615978.db2.gz BEJHNFWCORJZOC-IAGOWNOFSA-N 0 3 390.484 0.686 20 0 GCADHN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@@H]1CCC(=O)NC12CCC2 ZINC000282669651 1201619360 /nfs/dbraw/zinc/61/93/60/1201619360.db2.gz CDUJLJQDFGZXMX-MRXNPFEDSA-N 0 3 388.468 0.849 20 0 GCADHN CN1CCN(CCNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1(C)C ZINC000282684971 1201619744 /nfs/dbraw/zinc/61/97/44/1201619744.db2.gz WYQATJBZCQLMLP-UHFFFAOYSA-N 0 3 395.485 0.345 20 0 GCADHN CN(C)C1(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CCO2)CCC1 ZINC001065395355 1201625524 /nfs/dbraw/zinc/62/55/24/1201625524.db2.gz HATAYCYRKWFJSO-VVLHAWIVSA-N 0 3 379.501 0.629 20 0 GCADHN CCN(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCO1 ZINC001065401770 1201627104 /nfs/dbraw/zinc/62/71/04/1201627104.db2.gz SWWULQUHSZUSCO-JHMPBIJASA-N 0 3 379.501 0.484 20 0 GCADHN COc1ccc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CN(C)C[C@@H](C)O2)nn1 ZINC001085242784 1201648449 /nfs/dbraw/zinc/64/84/49/1201648449.db2.gz HKYJWZHHPBTQBX-MWQQHZPXSA-N 0 3 377.489 0.721 20 0 GCADHN NS(=O)(=O)c1ccc(F)c(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000734527297 1201654417 /nfs/dbraw/zinc/65/44/17/1201654417.db2.gz OUSNJUPBCDNXEB-CHWSQXEVSA-N 0 3 386.449 0.136 20 0 GCADHN COc1c(C)cnc(CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1C ZINC000734663993 1201658686 /nfs/dbraw/zinc/65/86/86/1201658686.db2.gz SDIQQIFLTVTAAB-QGZVFWFLSA-N 0 3 391.516 0.913 20 0 GCADHN CCn1nnc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001085329943 1201667895 /nfs/dbraw/zinc/66/78/95/1201667895.db2.gz LONVZGXKZJCCTB-LUYZLQTOSA-N 0 3 378.477 0.156 20 0 GCADHN Cc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)ncn1 ZINC001085330414 1201668661 /nfs/dbraw/zinc/66/86/61/1201668661.db2.gz GSSJDVQHRLOYIO-TVFCKZIOSA-N 0 3 389.500 0.938 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(C3CC3)n2)O1 ZINC001085330631 1201669453 /nfs/dbraw/zinc/66/94/53/1201669453.db2.gz STTGZGOLOWHQCT-YIYPIFLZSA-N 0 3 376.461 0.232 20 0 GCADHN CCn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001085330688 1201669679 /nfs/dbraw/zinc/66/96/79/1201669679.db2.gz WRQCCCIXTCKVLK-VQHPVUNQSA-N 0 3 392.504 0.451 20 0 GCADHN COc1cccc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001085331028 1201670240 /nfs/dbraw/zinc/67/02/40/1201670240.db2.gz POFHGSNAACSQQX-LVQVYYBASA-N 0 3 376.457 0.640 20 0 GCADHN Cn1cc(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)c(=O)n(C)c1=O ZINC000735011391 1201671866 /nfs/dbraw/zinc/67/18/66/1201671866.db2.gz DCKKDCGGUBPORT-UHFFFAOYSA-N 0 3 392.500 0.628 20 0 GCADHN CS(=O)(=O)c1cccc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001085333864 1201672169 /nfs/dbraw/zinc/67/21/69/1201672169.db2.gz LASXDQYATFYLIQ-YYIAUSFCSA-N 0 3 393.509 0.729 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1-c1ccccc1 ZINC001085334023 1201672543 /nfs/dbraw/zinc/67/25/43/1201672543.db2.gz SOAFFTJRADOAQW-XMTFNYHQSA-N 0 3 382.468 0.906 20 0 GCADHN COc1cccc([C@@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)N2CCCC2)c1 ZINC000735030304 1201673010 /nfs/dbraw/zinc/67/30/10/1201673010.db2.gz MFUSGBMIYAQEOF-QGZVFWFLSA-N 0 3 386.452 0.660 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000735588767 1201694012 /nfs/dbraw/zinc/69/40/12/1201694012.db2.gz VKYWSNJIULUWAJ-UHFFFAOYSA-N 0 3 384.458 0.017 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000735591199 1201694351 /nfs/dbraw/zinc/69/43/51/1201694351.db2.gz YIDFCPZATZFWOJ-ROUUACIJSA-N 0 3 383.452 0.849 20 0 GCADHN Cn1cnnc1-c1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000735591268 1201694846 /nfs/dbraw/zinc/69/48/46/1201694846.db2.gz YZFNEZYWQUGYGB-HOTGVXAUSA-N 0 3 384.440 0.400 20 0 GCADHN COCCOCc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735595907 1201695489 /nfs/dbraw/zinc/69/54/89/1201695489.db2.gz QIGSOIUNUDWITB-MSOLQXFVSA-N 0 3 391.468 0.768 20 0 GCADHN COCCOCc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000735595912 1201695828 /nfs/dbraw/zinc/69/58/28/1201695828.db2.gz QIGSOIUNUDWITB-ZWKOTPCHSA-N 0 3 391.468 0.768 20 0 GCADHN CNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000735597866 1201696568 /nfs/dbraw/zinc/69/65/68/1201696568.db2.gz ZXZMGVKUYNBVOZ-STQMWFEESA-N 0 3 394.859 0.618 20 0 GCADHN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@H](CO)C(C)(C)C)C1=O ZINC000735873295 1201703487 /nfs/dbraw/zinc/70/34/87/1201703487.db2.gz HRFQWCQNKREDHV-AUUYWEPGSA-N 0 3 376.457 0.872 20 0 GCADHN CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000736130065 1201709505 /nfs/dbraw/zinc/70/95/05/1201709505.db2.gz AIRPKZSUOHQGFF-QGZVFWFLSA-N 0 3 388.468 0.528 20 0 GCADHN CC(C)N1CCN(CCCC(=O)N2CCSC[C@@H]2S(C)(=O)=O)CC1 ZINC000827968319 1201711945 /nfs/dbraw/zinc/71/19/45/1201711945.db2.gz AHDUAPOBYVRREG-INIZCTEOSA-N 0 3 377.576 0.739 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000736664241 1201715846 /nfs/dbraw/zinc/71/58/46/1201715846.db2.gz DZOKPZBVWUNJIK-ZDUSSCGKSA-N 0 3 398.476 0.271 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)CC1 ZINC000178809998 1201716509 /nfs/dbraw/zinc/71/65/09/1201716509.db2.gz XCAWZQZQCRNQHF-OAHLLOKOSA-N 0 3 378.521 0.966 20 0 GCADHN O=S(=O)(c1ccc(N2CCN(C[C@H]3CCOC3)CC2)cc1)N1CCOCC1 ZINC000828388888 1201716890 /nfs/dbraw/zinc/71/68/90/1201716890.db2.gz AAYFOHNJZRCWHN-QGZVFWFLSA-N 0 3 395.525 0.866 20 0 GCADHN CN(C(=O)NCCCCN1CCN(C)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737064896 1201719772 /nfs/dbraw/zinc/71/97/72/1201719772.db2.gz KRVOAESQNBIBCT-CQSZACIVSA-N 0 3 393.454 0.819 20 0 GCADHN COc1ccc(C(=O)N(CCO)C2CCN(C)CC2)cc1S(=O)(=O)N(C)C ZINC000828753981 1201719859 /nfs/dbraw/zinc/71/98/59/1201719859.db2.gz HSWIQWNKOQIKKL-UHFFFAOYSA-N 0 3 399.513 0.474 20 0 GCADHN CCCNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)C1 ZINC000065243942 1201719964 /nfs/dbraw/zinc/71/99/64/1201719964.db2.gz WDDCRZWOXSPFQQ-JKSUJKDBSA-N 0 3 382.505 0.914 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(F)c(C(=O)OC)c2)CC1 ZINC000737095605 1201720220 /nfs/dbraw/zinc/72/02/20/1201720220.db2.gz ZPIUSEQVDLBYOI-UHFFFAOYSA-N 0 3 394.447 0.695 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccccc2N2CCOC2=O)CC1 ZINC000737095352 1201720361 /nfs/dbraw/zinc/72/03/61/1201720361.db2.gz UYLSQRUULLTDSM-UHFFFAOYSA-N 0 3 389.456 0.335 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1S(N)(=O)=O ZINC000737138504 1201721886 /nfs/dbraw/zinc/72/18/86/1201721886.db2.gz IGOBIRZPXOTSGJ-CYBMUJFWSA-N 0 3 382.486 0.572 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000737215949 1201724106 /nfs/dbraw/zinc/72/41/06/1201724106.db2.gz CVQYZTCYWAUWNR-HOTGVXAUSA-N 0 3 384.440 0.244 20 0 GCADHN Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000737219236 1201724442 /nfs/dbraw/zinc/72/44/42/1201724442.db2.gz UVJCWUXETCHWAY-CABCVRRESA-N 0 3 399.451 0.804 20 0 GCADHN CS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000737237405 1201725058 /nfs/dbraw/zinc/72/50/58/1201725058.db2.gz AHPJUOGFXSTRGZ-UHFFFAOYSA-N 0 3 399.538 0.377 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCSCCCO)cc2)CC1 ZINC000737289962 1201726353 /nfs/dbraw/zinc/72/63/53/1201726353.db2.gz LCZSBVFAWVDGRC-UHFFFAOYSA-N 0 3 394.541 0.999 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)CCOC)cc2)CC1 ZINC000737304565 1201728060 /nfs/dbraw/zinc/72/80/60/1201728060.db2.gz KTFKFTADAXEFHF-HXUWFJFHSA-N 0 3 392.500 0.671 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000738162062 1201734714 /nfs/dbraw/zinc/73/47/14/1201734714.db2.gz WTHANRBPRVRIDU-UHFFFAOYSA-N 0 3 377.489 0.439 20 0 GCADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000739083909 1201739570 /nfs/dbraw/zinc/73/95/70/1201739570.db2.gz ATCCPKIXMKMGGT-IAGOWNOFSA-N 0 3 389.452 0.710 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1F ZINC000740493832 1201747576 /nfs/dbraw/zinc/74/75/76/1201747576.db2.gz ICXKGFNOJVUGJV-CYBMUJFWSA-N 0 3 394.447 0.551 20 0 GCADHN CCN1C[C@H](C)N(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C[C@@H]1C ZINC000766255356 1201749979 /nfs/dbraw/zinc/74/99/79/1201749979.db2.gz WYJQRKMBMFMKCC-LPRCSBTHSA-N 0 3 379.505 0.933 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000740892689 1201752290 /nfs/dbraw/zinc/75/22/90/1201752290.db2.gz DCRGMOGIBVXVMY-UHFFFAOYSA-N 0 3 384.502 0.757 20 0 GCADHN COCCN1CCC(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000741211251 1201762886 /nfs/dbraw/zinc/76/28/86/1201762886.db2.gz BZTIGICYGLBTDZ-UHFFFAOYSA-N 0 3 398.504 0.293 20 0 GCADHN CC(C)N(C)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001066384740 1201789828 /nfs/dbraw/zinc/78/98/28/1201789828.db2.gz KMOAPLXECKSWEL-LSTDLKDCSA-N 0 3 381.517 0.875 20 0 GCADHN COc1ccc(CCN2C(=O)C(=O)N(CN3CC[C@@H](N4CC=CC4)C3)C2=O)cc1 ZINC000742162102 1201791361 /nfs/dbraw/zinc/79/13/61/1201791361.db2.gz CXNBECBZYTWGER-QGZVFWFLSA-N 0 3 398.463 0.932 20 0 GCADHN CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CN1CC[C@@H](N2CC=CC2)C1 ZINC000742163069 1201791421 /nfs/dbraw/zinc/79/14/21/1201791421.db2.gz OPPJEVHJMXTBKX-CQSZACIVSA-N 0 3 392.481 0.748 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c2ncccc12 ZINC000742255236 1201794584 /nfs/dbraw/zinc/79/45/84/1201794584.db2.gz SQPQCMFNTJKHAF-GDBMZVCRSA-N 0 3 376.482 0.918 20 0 GCADHN Cn1ccc(N2CC[C@H](N[C@H]3C[C@@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001086153643 1201806443 /nfs/dbraw/zinc/80/64/43/1201806443.db2.gz SQUBWBIRJXNLHC-WCJWXNGTSA-N 0 3 399.495 0.433 20 0 GCADHN C[C@@H](CNC(=O)NC[C@H](O)COc1cccc(F)c1)CN1CCN(C)CC1 ZINC000743119153 1201813144 /nfs/dbraw/zinc/81/31/44/1201813144.db2.gz WMIJVBNRMBFIBZ-RDJZCZTQSA-N 0 3 382.480 0.748 20 0 GCADHN CCc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1S(N)(=O)=O ZINC000743979498 1201831512 /nfs/dbraw/zinc/83/15/12/1201831512.db2.gz GKYPRNQJFGUDJR-LBPRGKRZSA-N 0 3 382.486 0.435 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@H]2C)c2ccccc2O1 ZINC000743979944 1201831711 /nfs/dbraw/zinc/83/17/11/1201831711.db2.gz JCRSCTIYVIMXEX-CJNGLKHVSA-N 0 3 375.425 0.554 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000743978583 1201832060 /nfs/dbraw/zinc/83/20/60/1201832060.db2.gz KZYVXOAFCQPODN-JTQLQIEISA-N 0 3 389.424 0.907 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1 ZINC000743977904 1201832089 /nfs/dbraw/zinc/83/20/89/1201832089.db2.gz AKEVWXAHOJFEDB-ZDUSSCGKSA-N 0 3 398.485 0.408 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1-n1nnnc1C ZINC000743981507 1201832334 /nfs/dbraw/zinc/83/23/34/1201832334.db2.gz RNBVFIZFKKSDRQ-GFCCVEGCSA-N 0 3 387.444 0.518 20 0 GCADHN Cn1ccc(N2CC[C@H](N[C@H]3C[C@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001086433301 1201874012 /nfs/dbraw/zinc/87/40/12/1201874012.db2.gz SQUBWBIRJXNLHC-JLMATLBDSA-N 0 3 399.495 0.433 20 0 GCADHN CC(C)c1nc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n[nH]1 ZINC001086437085 1201876647 /nfs/dbraw/zinc/87/66/47/1201876647.db2.gz KNFUOMDFIOLCBD-WNZSCWOMSA-N 0 3 377.489 0.964 20 0 GCADHN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000766333646 1201884653 /nfs/dbraw/zinc/88/46/53/1201884653.db2.gz WHQTVPVENOKNRK-OAHLLOKOSA-N 0 3 398.504 0.341 20 0 GCADHN COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000745862135 1201891871 /nfs/dbraw/zinc/89/18/71/1201891871.db2.gz HDCRLEZYMSGXLH-CRAIPNDOSA-N 0 3 394.516 0.920 20 0 GCADHN COc1ccc(OC)c([C@@H](O)CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000745862137 1201892323 /nfs/dbraw/zinc/89/23/23/1201892323.db2.gz HDCRLEZYMSGXLH-QAPCUYQASA-N 0 3 394.516 0.920 20 0 GCADHN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000746019479 1201895821 /nfs/dbraw/zinc/89/58/21/1201895821.db2.gz RSGUXHPROYUCAN-HUUCEWRRSA-N 0 3 382.505 0.864 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)NC3CCN(CC(N)=O)CC3)CC2)c1 ZINC000746112202 1201900221 /nfs/dbraw/zinc/90/02/21/1201900221.db2.gz JUZNVRJXOJDVLJ-UHFFFAOYSA-N 0 3 387.528 0.573 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCCNc2ncnc3sccc32)CC1=O ZINC000746135674 1201901134 /nfs/dbraw/zinc/90/11/34/1201901134.db2.gz WWIHYYPSGDJTAT-LBPRGKRZSA-N 0 3 376.486 0.630 20 0 GCADHN CS(=O)(=O)CCn1ccc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000746291772 1201905814 /nfs/dbraw/zinc/90/58/14/1201905814.db2.gz DADJMPNXBUMSMU-SFHVURJKSA-N 0 3 392.481 0.503 20 0 GCADHN CN(C)Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C3)c1 ZINC001006329835 1201908896 /nfs/dbraw/zinc/90/88/96/1201908896.db2.gz ABROIJWSMOXSMR-SFFUCWETSA-N 0 3 384.480 0.731 20 0 GCADHN O=C(NCCN1CCCCC1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000044529315 1201910396 /nfs/dbraw/zinc/91/03/96/1201910396.db2.gz KLWNJIZXHXPDJE-UHFFFAOYSA-N 0 3 381.498 0.923 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000746406027 1201918653 /nfs/dbraw/zinc/91/86/53/1201918653.db2.gz JVDJSPRJZBHPID-DLBZAZTESA-N 0 3 384.440 0.244 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000746406584 1201919111 /nfs/dbraw/zinc/91/91/11/1201919111.db2.gz KZSQRMVBIRZGET-IRXDYDNUSA-N 0 3 384.440 0.244 20 0 GCADHN COC(=O)CNC(=O)[C@H](C)N[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168912978 1201928781 /nfs/dbraw/zinc/92/87/81/1201928781.db2.gz FLYDNXGLZRQZDX-DZGCQCFKSA-N 0 3 377.441 0.454 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cnc2c1CNCC2 ZINC001169190034 1201935126 /nfs/dbraw/zinc/93/51/26/1201935126.db2.gz CKCAZQUTDCOFGG-CYBMUJFWSA-N 0 3 385.472 0.707 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@H](F)C[C@H]1CO ZINC001169193835 1201935508 /nfs/dbraw/zinc/93/55/08/1201935508.db2.gz WFNAGPOVINNMRX-MJBXVCDLSA-N 0 3 381.452 0.397 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCN(CCF)CC1 ZINC001169209572 1201938179 /nfs/dbraw/zinc/93/81/79/1201938179.db2.gz ZFXJQOFPSVCDCZ-OAHLLOKOSA-N 0 3 394.495 0.580 20 0 GCADHN COC[C@@H]1CN([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1 ZINC001169211220 1201938329 /nfs/dbraw/zinc/93/83/29/1201938329.db2.gz DOHVMJDXKHRIFK-GJZGRUSLSA-N 0 3 393.488 0.340 20 0 GCADHN CC(=O)N1CCN([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169208047 1201938513 /nfs/dbraw/zinc/93/85/13/1201938513.db2.gz ZLTZRFIVTPGBEA-CQSZACIVSA-N 0 3 390.488 0.157 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000766625978 1201939446 /nfs/dbraw/zinc/93/94/46/1201939446.db2.gz JWJDUHIRSXADKO-UHFFFAOYSA-N 0 3 381.498 0.936 20 0 GCADHN COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NC[C@@H]1CNC(=O)CO1 ZINC001169270966 1201941517 /nfs/dbraw/zinc/94/15/17/1201941517.db2.gz KTDPPVFKFCWSKN-ZFWWWQNUSA-N 0 3 394.472 0.114 20 0 GCADHN CCOC(=O)[C@H]1CC[C@H](NCC(=O)NCC(=O)OCc2ccccc2)CO1 ZINC001169317646 1201942213 /nfs/dbraw/zinc/94/22/13/1201942213.db2.gz CABMAYVTVWOTCT-JKSUJKDBSA-N 0 3 378.425 0.546 20 0 GCADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C[C@H](O)C(C)(C)O)C2)C(=O)C1 ZINC001169474689 1201949653 /nfs/dbraw/zinc/94/96/53/1201949653.db2.gz WKEBDZNLZNYJIT-CABCVRRESA-N 0 3 385.505 0.662 20 0 GCADHN CC(=O)N1CC[C@@H](N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)C1 ZINC001169545077 1201951574 /nfs/dbraw/zinc/95/15/74/1201951574.db2.gz JVZCRSDVGPMCRK-OAHLLOKOSA-N 0 3 385.472 0.026 20 0 GCADHN CC(=O)N1CCC[C@@H](N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)C1 ZINC001169611328 1201953137 /nfs/dbraw/zinc/95/31/37/1201953137.db2.gz QEWZVUZFMNCSGN-CTNGQTDRSA-N 0 3 399.495 0.732 20 0 GCADHN CS(=O)(=O)C1CCC(N[C@@H](CC(=O)OCc2ccccc2)C(N)=O)CC1 ZINC001169858081 1201958023 /nfs/dbraw/zinc/95/80/23/1201958023.db2.gz XHGFBJJVVWOLQI-GPANFISMSA-N 0 3 382.482 0.919 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000767024822 1201964496 /nfs/dbraw/zinc/96/44/96/1201964496.db2.gz 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COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1)C2 ZINC001110032752 1202177558 /nfs/dbraw/zinc/17/75/58/1202177558.db2.gz YWPQRABOONGDML-FPAYPSAMSA-N 0 3 378.469 0.811 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@@H]1CCCO1 ZINC001110034821 1202178087 /nfs/dbraw/zinc/17/80/87/1202178087.db2.gz PMVQYQAAZXDRMA-OHFALNGGSA-N 0 3 375.473 0.277 20 0 GCADHN O=C(NCCN1CCc2ccccc2C1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000787623364 1205395531 /nfs/dbraw/zinc/39/55/31/1205395531.db2.gz SKEHGGKMNBWBBI-RTBURBONSA-N 0 3 386.496 0.140 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000787648371 1205397476 /nfs/dbraw/zinc/39/74/76/1205397476.db2.gz BVXCKEYCEMBJPS-HNNXBMFYSA-N 0 3 382.505 0.960 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000787665114 1205398316 /nfs/dbraw/zinc/39/83/16/1205398316.db2.gz VGQHDHUPPRTBEQ-ROUUACIJSA-N 0 3 391.516 0.683 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N(CCO)Cc2cccnc2Cl)CC1 ZINC000787664000 1205398335 /nfs/dbraw/zinc/39/83/35/1205398335.db2.gz LOTKYGYITLPCDW-UHFFFAOYSA-N 0 3 382.892 0.904 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000787670930 1205398465 /nfs/dbraw/zinc/39/84/65/1205398465.db2.gz OJSLRCHLHUSQDY-GJZGRUSLSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000787671678 1205398662 /nfs/dbraw/zinc/39/86/62/1205398662.db2.gz PBKMLTHOIOQOLE-AWEZNQCLSA-N 0 3 382.505 0.818 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000787750404 1205399861 /nfs/dbraw/zinc/39/98/61/1205399861.db2.gz HJIZOJYCDRTWCQ-CQSZACIVSA-N 0 3 382.505 0.960 20 0 GCADHN CN1C(=O)NC2(CCN([C@@H]3CN(C(=O)OC(C)(C)C)CC[C@]3(C)O)CC2)C1=O ZINC000787730295 1205401204 /nfs/dbraw/zinc/40/12/04/1205401204.db2.gz NIQHUDONXJLACQ-ACJLOTCBSA-N 0 3 396.488 0.763 20 0 GCADHN CN1C(=O)NC2(CCN([C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@]3(C)O)CC2)C1=O ZINC000787730298 1205401210 /nfs/dbraw/zinc/40/12/10/1205401210.db2.gz NIQHUDONXJLACQ-FZKQIMNGSA-N 0 3 396.488 0.763 20 0 GCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NCc1ccon1 ZINC000787852685 1205404862 /nfs/dbraw/zinc/40/48/62/1205404862.db2.gz RUYITSVNVZVRBC-UHFFFAOYSA-N 0 3 385.468 0.615 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCCCN1CCN(C)CC1)CC1(C)OCCO1 ZINC000787903992 1205406146 /nfs/dbraw/zinc/40/61/46/1205406146.db2.gz PQWVVFJVXQBYLW-INIZCTEOSA-N 0 3 384.521 0.036 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@H](CO)O[C@@H](C)C3)cc2)CC1 ZINC000787910040 1205407114 /nfs/dbraw/zinc/40/71/14/1205407114.db2.gz UXZXDHQQQQWSDH-MAUKXSAKSA-N 0 3 390.484 0.375 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccco2)CC1 ZINC000787955322 1205409777 /nfs/dbraw/zinc/40/97/77/1205409777.db2.gz YRUYGXIGLKHKHV-HNNXBMFYSA-N 0 3 378.473 0.339 20 0 GCADHN C[C@H](Cc1ccco1)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000787959588 1205409811 /nfs/dbraw/zinc/40/98/11/1205409811.db2.gz GGACJHSUHUOUNH-ZBFHGGJFSA-N 0 3 378.473 0.386 20 0 GCADHN CC(C)Oc1ncccc1CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000787989818 1205410593 /nfs/dbraw/zinc/41/05/93/1205410593.db2.gz RIIFWQCMRIAYPD-HZPDHXFCSA-N 0 3 376.457 0.464 20 0 GCADHN CC(C)Oc1ncccc1CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000787989817 1205410858 /nfs/dbraw/zinc/41/08/58/1205410858.db2.gz RIIFWQCMRIAYPD-HOTGVXAUSA-N 0 3 376.457 0.464 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)oc3ccccc31)C2 ZINC001110084641 1205411131 /nfs/dbraw/zinc/41/11/31/1205411131.db2.gz IGNIOWZAXDYWIB-QPSCCSFWSA-N 0 3 375.425 0.323 20 0 GCADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000788241165 1205416989 /nfs/dbraw/zinc/41/69/89/1205416989.db2.gz CKERRUKCQXTOHR-YJBOKZPZSA-N 0 3 377.514 0.832 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N(C)Cc2nnc3ccccn32)CCSC1 ZINC000788244236 1205417125 /nfs/dbraw/zinc/41/71/25/1205417125.db2.gz MXNZXGIGXMIDBA-KRWDZBQOSA-N 0 3 376.486 0.241 20 0 GCADHN CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000788243325 1205417162 /nfs/dbraw/zinc/41/71/62/1205417162.db2.gz LOFURYYCFYNQPA-SUMWQHHRSA-N 0 3 386.518 0.277 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000788246987 1205417447 /nfs/dbraw/zinc/41/74/47/1205417447.db2.gz TXHCFAIWDTZKDS-PXAZEXFGSA-N 0 3 388.534 0.569 20 0 GCADHN CC1CCC2(CC1)OC[C@@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)O2 ZINC000788255784 1205417534 /nfs/dbraw/zinc/41/75/34/1205417534.db2.gz VGLZMWMRCVTAQZ-NRXYVGEYSA-N 0 3 399.557 0.978 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC000788249654 1205417541 /nfs/dbraw/zinc/41/75/41/1205417541.db2.gz ZCCHLLFEAILFER-QGZVFWFLSA-N 0 3 386.518 0.275 20 0 GCADHN O=C(NCc1ccc(-n2cccn2)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000788380458 1205421340 /nfs/dbraw/zinc/42/13/40/1205421340.db2.gz RBEZOFSDANPJNP-ROUUACIJSA-N 0 3 383.452 0.468 20 0 GCADHN O=C(NCc1ccc(-n2cccn2)cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000788380462 1205421569 /nfs/dbraw/zinc/42/15/69/1205421569.db2.gz RBEZOFSDANPJNP-ZWKOTPCHSA-N 0 3 383.452 0.468 20 0 GCADHN COc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000788404406 1205422745 /nfs/dbraw/zinc/42/27/45/1205422745.db2.gz XOSFGLREIJNJKW-RKVPGOIHSA-N 0 3 391.468 0.558 20 0 GCADHN Cc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000788401046 1205422798 /nfs/dbraw/zinc/42/27/98/1205422798.db2.gz JFAWHIFSCWWRJA-SOLBZPMBSA-N 0 3 375.469 0.858 20 0 GCADHN CN(CN1C(=O)NC2(CCN(C)CC2)C1=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788781768 1205430227 /nfs/dbraw/zinc/43/02/27/1205430227.db2.gz KPXXCQNVJVLFCV-KRWDZBQOSA-N 0 3 399.495 0.693 20 0 GCADHN O=C(NCc1cnn(Cc2ccccc2)c1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000788829458 1205430952 /nfs/dbraw/zinc/43/09/52/1205430952.db2.gz ZDOPDQWGKRULSY-RTBURBONSA-N 0 3 397.479 0.527 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000788887183 1205431784 /nfs/dbraw/zinc/43/17/84/1205431784.db2.gz RNLSQAADADMJHT-HNNXBMFYSA-N 0 3 379.482 0.927 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000746801449 1205438623 /nfs/dbraw/zinc/43/86/23/1205438623.db2.gz JMQKYPUZMKGEPV-ZDUSSCGKSA-N 0 3 387.440 0.277 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)c3ncnn3C)cc2)CC1 ZINC000789615370 1205443682 /nfs/dbraw/zinc/44/36/82/1205443682.db2.gz XSTMPHMREGIYQO-AWEZNQCLSA-N 0 3 385.472 0.773 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000789760076 1205446228 /nfs/dbraw/zinc/44/62/28/1205446228.db2.gz YIBNXSXGCJUMMM-IAGOWNOFSA-N 0 3 375.444 0.953 20 0 GCADHN CCOC(=O)N[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)CC(C)C ZINC000789929132 1205451595 /nfs/dbraw/zinc/45/15/95/1205451595.db2.gz JUGCCHTWPHZTOL-HOTGVXAUSA-N 0 3 382.505 0.960 20 0 GCADHN CCOC(=O)N[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)CC(C)C ZINC000789937603 1205452222 /nfs/dbraw/zinc/45/22/22/1205452222.db2.gz XNCQQGPEJRAMST-ARFHVFGLSA-N 0 3 398.504 0.243 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H](C)c3nnnn3C)cc2)CC1 ZINC000790152907 1205457971 /nfs/dbraw/zinc/45/79/71/1205457971.db2.gz ATBSIWVCPASWII-OAHLLOKOSA-N 0 3 386.504 0.908 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000790185356 1205458439 /nfs/dbraw/zinc/45/84/39/1205458439.db2.gz RCVHJGIQQMMNAV-CABCVRRESA-N 0 3 399.536 0.016 20 0 GCADHN CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000790193938 1205458504 /nfs/dbraw/zinc/45/85/04/1205458504.db2.gz DJVFFOWVSOUBHL-QGZVFWFLSA-N 0 3 389.544 0.759 20 0 GCADHN CCN(CCc1ccccn1)C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000790198337 1205458891 /nfs/dbraw/zinc/45/88/91/1205458891.db2.gz ZUGOVKAENMXLBP-QGZVFWFLSA-N 0 3 375.517 0.472 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1)CN1CCN(C)CC1 ZINC000790194934 1205458971 /nfs/dbraw/zinc/45/89/71/1205458971.db2.gz KNLLQBFVAIJOMU-SJORKVTESA-N 0 3 396.532 0.178 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1)CN1CCN(C)CC1 ZINC000790194933 1205458977 /nfs/dbraw/zinc/45/89/77/1205458977.db2.gz KNLLQBFVAIJOMU-IRXDYDNUSA-N 0 3 396.532 0.178 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)COc2ccccc2)CC1 ZINC000790210473 1205459419 /nfs/dbraw/zinc/45/94/19/1205459419.db2.gz UFOTZFCZMRIBQV-ROUUACIJSA-N 0 3 390.528 0.960 20 0 GCADHN Cn1cc([C@@H]2CSCCN2CN2C(=O)NC3(CCN(C)CC3)C2=O)cn1 ZINC000790470756 1205465052 /nfs/dbraw/zinc/46/50/52/1205465052.db2.gz RBJVUKMLLFVBHJ-AWEZNQCLSA-N 0 3 378.502 0.484 20 0 GCADHN CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@@H]1CCCN(C)C1 ZINC000791370532 1205476334 /nfs/dbraw/zinc/47/63/34/1205476334.db2.gz GPPKCIUPCRDCFY-DOMZBBRYSA-N 0 3 380.876 0.866 20 0 GCADHN CN(C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@H]1CCCN(C)C1 ZINC000791370540 1205476516 /nfs/dbraw/zinc/47/65/16/1205476516.db2.gz GPPKCIUPCRDCFY-WFASDCNBSA-N 0 3 380.876 0.866 20 0 GCADHN C[C@@H](CN1CCN(C)CC1)NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792147114 1205484331 /nfs/dbraw/zinc/48/43/31/1205484331.db2.gz GQMLFJWRGBFJLM-KRWDZBQOSA-N 0 3 397.564 0.681 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCC[S@](C)=O)cc(N2CCN(C(C)C)CC2)c1 ZINC000792230176 1205484996 /nfs/dbraw/zinc/48/49/96/1205484996.db2.gz VEMHCSZYDMAJOF-MHZLTWQESA-N 0 3 394.541 0.959 20 0 GCADHN C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1=O ZINC000793469840 1205498947 /nfs/dbraw/zinc/49/89/47/1205498947.db2.gz SMKPBJNICNXRED-OLZOCXBDSA-N 0 3 392.422 0.314 20 0 GCADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1nnc2n1CCCC2 ZINC000793588107 1205500379 /nfs/dbraw/zinc/50/03/79/1205500379.db2.gz ROKNUFQEMASSSD-UHFFFAOYSA-N 0 3 398.511 0.864 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)N1CCCCC1 ZINC000793710950 1205503005 /nfs/dbraw/zinc/50/30/05/1205503005.db2.gz VGQIXWJEFNOJNJ-CQSZACIVSA-N 0 3 378.452 0.255 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)N1CCCCC1 ZINC000793710567 1205503073 /nfs/dbraw/zinc/50/30/73/1205503073.db2.gz SNQXAFAYBFBPSS-IRXDYDNUSA-N 0 3 380.533 0.689 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793710775 1205503115 /nfs/dbraw/zinc/50/31/15/1205503115.db2.gz UJTKKKPFBJSEAG-HUUCEWRRSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)N1CCCCC1 ZINC000793710568 1205503134 /nfs/dbraw/zinc/50/31/34/1205503134.db2.gz SNQXAFAYBFBPSS-SJORKVTESA-N 0 3 380.533 0.689 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1)N1CCCCC1 ZINC000793710936 1205503250 /nfs/dbraw/zinc/50/32/50/1205503250.db2.gz VGQIXWJEFNOJNJ-AWEZNQCLSA-N 0 3 378.452 0.255 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1)N1CCCCC1 ZINC000793709714 1205503259 /nfs/dbraw/zinc/50/32/59/1205503259.db2.gz PNEZAELMKSGHHG-INIZCTEOSA-N 0 3 389.500 0.189 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CCN1CCOC ZINC000793720782 1205503442 /nfs/dbraw/zinc/50/34/42/1205503442.db2.gz HRJLZRHOYMQAAE-MSOLQXFVSA-N 0 3 382.549 0.936 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1)N1CCCCC1 ZINC000793698309 1205504132 /nfs/dbraw/zinc/50/41/32/1205504132.db2.gz IXLDVKWLCOXDRV-ZWKOTPCHSA-N 0 3 380.533 0.548 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(Cc2cscn2)CC1)N1CCCCC1 ZINC000793699226 1205504241 /nfs/dbraw/zinc/50/42/41/1205504241.db2.gz KRMRZBWMZBMVFN-HNNXBMFYSA-N 0 3 379.530 0.778 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)N1CCCCC1 ZINC000793707657 1205504856 /nfs/dbraw/zinc/50/48/56/1205504856.db2.gz IZYQKRYDNYVSQA-ZACQAIPSSA-N 0 3 391.516 0.683 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1)N1CCCCC1 ZINC000793708989 1205504919 /nfs/dbraw/zinc/50/49/19/1205504919.db2.gz NMEMSWXWCCRLHU-KRWDZBQOSA-N 0 3 380.533 0.548 20 0 GCADHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793802056 1205506341 /nfs/dbraw/zinc/50/63/41/1205506341.db2.gz SZDMPGHBOOKTSA-SNPRPXQTSA-N 0 3 397.422 0.828 20 0 GCADHN Cc1nccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793802834 1205506664 /nfs/dbraw/zinc/50/66/64/1205506664.db2.gz ORXIANUHTUYHBB-IAGOWNOFSA-N 0 3 398.467 0.171 20 0 GCADHN C[C@H](COc1cccc(F)c1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793779943 1205506708 /nfs/dbraw/zinc/50/67/08/1205506708.db2.gz ANPPRZYVZSQEEQ-UKPHBRMFSA-N 0 3 379.432 0.689 20 0 GCADHN C[C@H](COc1cccc(F)c1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793779942 1205506866 /nfs/dbraw/zinc/50/68/66/1205506866.db2.gz ANPPRZYVZSQEEQ-KMFMINBZSA-N 0 3 379.432 0.689 20 0 GCADHN CN(CCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000793844922 1205507021 /nfs/dbraw/zinc/50/70/21/1205507021.db2.gz OGMNZUATULLRHS-OALUTQOASA-N 0 3 388.512 0.999 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CCC[C@H](C3(C)OCCO3)C2)CC1 ZINC000793818750 1205507560 /nfs/dbraw/zinc/50/75/60/1205507560.db2.gz WWAALNKSLSLOLX-HNNXBMFYSA-N 0 3 383.489 0.215 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)CC1 ZINC000793816769 1205507575 /nfs/dbraw/zinc/50/75/75/1205507575.db2.gz LKJQLIRWXDBMNC-UHFFFAOYSA-N 0 3 383.489 0.215 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccco1 ZINC000793850349 1205507717 /nfs/dbraw/zinc/50/77/17/1205507717.db2.gz XEDNRTALYJOPIY-BRWVUGGUSA-N 0 3 392.500 0.758 20 0 GCADHN O=C(NCCN1CCc2sccc2C1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793865351 1205508154 /nfs/dbraw/zinc/50/81/54/1205508154.db2.gz KUFNGDDALGEFOY-JKSUJKDBSA-N 0 3 392.525 0.202 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000793902562 1205508802 /nfs/dbraw/zinc/50/88/02/1205508802.db2.gz RSFNGWAARUQWTH-OWCLPIDISA-N 0 3 383.489 0.261 20 0 GCADHN C[N@H+](CCNC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CC1 ZINC000793938920 1205510604 /nfs/dbraw/zinc/51/06/04/1205510604.db2.gz VKUDFPOVDJXNLM-UHFFFAOYSA-N 0 3 378.395 0.114 20 0 GCADHN C[N@@H+](CCNC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CC1 ZINC000793938920 1205510607 /nfs/dbraw/zinc/51/06/07/1205510607.db2.gz VKUDFPOVDJXNLM-UHFFFAOYSA-N 0 3 378.395 0.114 20 0 GCADHN CN(CCNC(=O)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000793936953 1205510797 /nfs/dbraw/zinc/51/07/97/1205510797.db2.gz MFRGVOZTSKYRBP-CQSZACIVSA-N 0 3 382.505 0.960 20 0 GCADHN Cc1nc(Cn2nnc(NC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c2C)no1 ZINC000794369847 1205513439 /nfs/dbraw/zinc/51/34/39/1205513439.db2.gz SUUAQFKWHOAKRK-CHWSQXEVSA-N 0 3 376.421 0.311 20 0 GCADHN O=C(NCCN(CCN1CCCCC1)C(=O)c1ncccn1)c1ncccn1 ZINC000804590391 1205518461 /nfs/dbraw/zinc/51/84/61/1205518461.db2.gz FZZJQGARVVIVEU-UHFFFAOYSA-N 0 3 383.456 0.625 20 0 GCADHN CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000804750915 1205523400 /nfs/dbraw/zinc/52/34/00/1205523400.db2.gz OASKGNIWVSHFAC-HNNXBMFYSA-N 0 3 380.489 0.809 20 0 GCADHN Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cn1 ZINC000804730067 1205523978 /nfs/dbraw/zinc/52/39/78/1205523978.db2.gz WTSOFCGYASTCGN-KZNAEPCWSA-N 0 3 389.500 0.435 20 0 GCADHN CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000804730168 1205524208 /nfs/dbraw/zinc/52/42/08/1205524208.db2.gz YOFKOUAMHPJOTP-OAHLLOKOSA-N 0 3 380.489 0.666 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000804731632 1205524235 /nfs/dbraw/zinc/52/42/35/1205524235.db2.gz OTMHKHZRLBFSQG-OALUTQOASA-N 0 3 398.507 0.894 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804732856 1205524543 /nfs/dbraw/zinc/52/45/43/1205524543.db2.gz ZDDLCAZCRIMFIL-UKRRQHHQSA-N 0 3 382.505 0.959 20 0 GCADHN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129932152 1205524662 /nfs/dbraw/zinc/52/46/62/1205524662.db2.gz OLNNUAQIVGERBY-VQHPVUNQSA-N 0 3 388.516 0.828 20 0 GCADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@@H]1n1ccnn1 ZINC001129937594 1205524904 /nfs/dbraw/zinc/52/49/04/1205524904.db2.gz AVYKASQEEQFYNI-PNBKFKSVSA-N 0 3 381.502 0.245 20 0 GCADHN O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129939770 1205525160 /nfs/dbraw/zinc/52/51/60/1205525160.db2.gz WEEVNGYFANSGHC-FJIDUMEYSA-N 0 3 386.500 0.582 20 0 GCADHN CCN(C)c1ccccc1CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000804826968 1205526624 /nfs/dbraw/zinc/52/66/24/1205526624.db2.gz IXKWJRBWISVPOP-UHFFFAOYSA-N 0 3 389.544 0.855 20 0 GCADHN CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCCOCCNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001129997407 1205527266 /nfs/dbraw/zinc/52/72/66/1205527266.db2.gz LHWLPXPAKRLQGP-TVFCKZIOSA-N 0 3 392.504 0.209 20 0 GCADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001130014748 1205528469 /nfs/dbraw/zinc/52/84/69/1205528469.db2.gz COMPFTVHCHAYEK-MLHJIOFPSA-N 0 3 387.488 0.582 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC/C=C/c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001130009385 1205529189 /nfs/dbraw/zinc/52/91/89/1205529189.db2.gz LZMMWAMQTRVLGD-VWQAXDKSSA-N 0 3 380.452 0.454 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCCC(F)(F)F)[C@@H](n3ccnn3)C2)C1 ZINC001130009533 1205529311 /nfs/dbraw/zinc/52/93/11/1205529311.db2.gz ULXSAIUFEASDJG-XQHKEYJVSA-N 0 3 388.394 0.474 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H](C)CC2(C)OCCO2)CC1 ZINC000805157666 1205532774 /nfs/dbraw/zinc/53/27/74/1205532774.db2.gz MUBFHBBSFNBSCT-HNNXBMFYSA-N 0 3 399.532 0.897 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)c1cnsn1)C(=O)c1cnsn1 ZINC000805200906 1205532871 /nfs/dbraw/zinc/53/28/71/1205532871.db2.gz LYGJFGCZUFKSKQ-UHFFFAOYSA-N 0 3 395.514 0.700 20 0 GCADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000747237618 1205534361 /nfs/dbraw/zinc/53/43/61/1205534361.db2.gz XCNZOAFWWMBRAM-SJORKVTESA-N 0 3 395.525 0.903 20 0 GCADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000747237616 1205534394 /nfs/dbraw/zinc/53/43/94/1205534394.db2.gz XCNZOAFWWMBRAM-IAGOWNOFSA-N 0 3 395.525 0.903 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000747237206 1205534574 /nfs/dbraw/zinc/53/45/74/1205534574.db2.gz UIJMGNJCWBOWKX-XHSDSOJGSA-N 0 3 381.498 0.641 20 0 GCADHN CCC[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N(C)C)[n-]1 ZINC001130239879 1205537862 /nfs/dbraw/zinc/53/78/62/1205537862.db2.gz BHBLNSXNOJUBAE-BARDWOONSA-N 0 3 392.504 0.407 20 0 GCADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC(C)C)[n-]1 ZINC001130238175 1205539058 /nfs/dbraw/zinc/53/90/58/1205539058.db2.gz XGDMVWIFFYSMHD-BARDWOONSA-N 0 3 392.504 0.311 20 0 GCADHN CC(C)C[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130238157 1205539126 /nfs/dbraw/zinc/53/91/26/1205539126.db2.gz WFXZZACUWXQPHN-RQJABVFESA-N 0 3 378.477 0.051 20 0 GCADHN CCc1cc(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)[nH]n1 ZINC000805854672 1205545402 /nfs/dbraw/zinc/54/54/02/1205545402.db2.gz XQJLYXMHQNDQKD-LJQANCHMSA-N 0 3 399.495 0.996 20 0 GCADHN CCc1cc(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n[nH]1 ZINC000805854672 1205545404 /nfs/dbraw/zinc/54/54/04/1205545404.db2.gz XQJLYXMHQNDQKD-LJQANCHMSA-N 0 3 399.495 0.996 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)NCCOCCS(N)(=O)=O)cc2)CC1 ZINC000806153573 1205550193 /nfs/dbraw/zinc/55/01/93/1205550193.db2.gz QFYNTCUPTKVNQD-UHFFFAOYSA-N 0 3 399.517 0.255 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000806327268 1205554229 /nfs/dbraw/zinc/55/42/29/1205554229.db2.gz GRXYIQOGCCOJFN-IRXDYDNUSA-N 0 3 391.516 0.683 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000806330438 1205554468 /nfs/dbraw/zinc/55/44/68/1205554468.db2.gz MJRXPKJWLOZIPV-CHWSQXEVSA-N 0 3 392.422 0.599 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000806330441 1205554489 /nfs/dbraw/zinc/55/44/89/1205554489.db2.gz MJRXPKJWLOZIPV-STQMWFEESA-N 0 3 392.422 0.599 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000806327583 1205554502 /nfs/dbraw/zinc/55/45/02/1205554502.db2.gz MKRCWSHMIOLLQC-KZNAEPCWSA-N 0 3 391.516 0.825 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000806330665 1205554655 /nfs/dbraw/zinc/55/46/55/1205554655.db2.gz QNPKNIANGPUGCC-ZACQAIPSSA-N 0 3 391.516 0.683 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NC/C=C\Cl)C2)O1 ZINC001130615304 1205555755 /nfs/dbraw/zinc/55/57/55/1205555755.db2.gz PNIARPUOYJIRLU-LMWPNXNLSA-N 0 3 381.908 0.776 20 0 GCADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC1COC(C)(C)OC1 ZINC000806656866 1205560770 /nfs/dbraw/zinc/56/07/70/1205560770.db2.gz UVXJNRLPRKAAAJ-UHFFFAOYSA-N 0 3 377.485 0.887 20 0 GCADHN CNC(=O)OC[C@H]1CCCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000806675669 1205561427 /nfs/dbraw/zinc/56/14/27/1205561427.db2.gz UKZLCGKAHXJDHC-HZPDHXFCSA-N 0 3 397.520 0.849 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000806690419 1205562130 /nfs/dbraw/zinc/56/21/30/1205562130.db2.gz JPYFIERRHZMABD-JKSUJKDBSA-N 0 3 383.489 0.358 20 0 GCADHN O=C(NC[C@@H]1COC2(CCOCC2)O1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000806716668 1205565188 /nfs/dbraw/zinc/56/51/88/1205565188.db2.gz XVTAFUBCVBIXJP-IAGOWNOFSA-N 0 3 395.500 0.502 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806718643 1205565433 /nfs/dbraw/zinc/56/54/33/1205565433.db2.gz XNWAMZKNGUMMNO-CABCVRRESA-N 0 3 383.489 0.261 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000747344757 1205565934 /nfs/dbraw/zinc/56/59/34/1205565934.db2.gz XOUVPIXJBSKYFF-IRXDYDNUSA-N 0 3 395.525 0.951 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000806768666 1205566720 /nfs/dbraw/zinc/56/67/20/1205566720.db2.gz LCWLYHURWJPPHV-AWEZNQCLSA-N 0 3 399.536 0.158 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@H](C3(C)OCCO3)C2)CC1(C)C ZINC000806784991 1205567338 /nfs/dbraw/zinc/56/73/38/1205567338.db2.gz DJYIXLWLERRDNR-INIZCTEOSA-N 0 3 396.532 0.130 20 0 GCADHN CN(CCc1ccccc1F)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000806785935 1205567370 /nfs/dbraw/zinc/56/73/70/1205567370.db2.gz SPWHUQFGWQHNFV-UHFFFAOYSA-N 0 3 378.492 0.969 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000806904091 1205569640 /nfs/dbraw/zinc/56/96/40/1205569640.db2.gz WPLYGSJASZWVAI-KBPBESRZSA-N 0 3 394.497 0.955 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000806904095 1205569648 /nfs/dbraw/zinc/56/96/48/1205569648.db2.gz WPLYGSJASZWVAI-UONOGXRCSA-N 0 3 394.497 0.955 20 0 GCADHN CCC[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C(N)=O ZINC000807399101 1205580710 /nfs/dbraw/zinc/58/07/10/1205580710.db2.gz ILADFSWMWPLGQA-INIZCTEOSA-N 0 3 375.473 0.537 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C ZINC000807460670 1205582189 /nfs/dbraw/zinc/58/21/89/1205582189.db2.gz VXQVHUQJGOOGKU-CQSZACIVSA-N 0 3 380.493 0.389 20 0 GCADHN CS[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000807765870 1205589641 /nfs/dbraw/zinc/58/96/41/1205589641.db2.gz SPAAVNPFIIZJHK-HUUCEWRRSA-N 0 3 382.530 0.153 20 0 GCADHN CCC(CC)(CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)SC ZINC000807772429 1205590019 /nfs/dbraw/zinc/59/00/19/1205590019.db2.gz MMIHSYAFCFVOQE-HNNXBMFYSA-N 0 3 398.573 0.789 20 0 GCADHN CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NC[C@@H]2CCCN2CC)CC1 ZINC000807828939 1205592107 /nfs/dbraw/zinc/59/21/07/1205592107.db2.gz SKGQHHXUJUJGDA-ZBFHGGJFSA-N 0 3 382.505 0.960 20 0 GCADHN O=C([C@H](O)[C@H](O)c1nc2ccccc2s1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000808156835 1205600688 /nfs/dbraw/zinc/60/06/88/1205600688.db2.gz PMWXNCNPMWFSHN-SHUKQUCYSA-N 0 3 377.466 0.358 20 0 GCADHN O=C(OCC(F)(F)F)N1CCC[C@H]1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000808161762 1205601071 /nfs/dbraw/zinc/60/10/71/1205601071.db2.gz YPFPQXBLPVJOBL-XQQFMLRXSA-N 0 3 379.379 0.817 20 0 GCADHN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H](CO)CN(C)C)cc1 ZINC000808171488 1205602139 /nfs/dbraw/zinc/60/21/39/1205602139.db2.gz YPNGFOMYYFGJOQ-CYBMUJFWSA-N 0 3 379.486 0.671 20 0 GCADHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000808217392 1205602382 /nfs/dbraw/zinc/60/23/82/1205602382.db2.gz BPEPDNHQDZDXSS-SJORKVTESA-N 0 3 376.436 0.477 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](CO)CN1CCCC1 ZINC000808220349 1205602825 /nfs/dbraw/zinc/60/28/25/1205602825.db2.gz DBMVKSLHUUTQPA-DLBZAZTESA-N 0 3 376.436 0.477 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000808223567 1205602983 /nfs/dbraw/zinc/60/29/83/1205602983.db2.gz NNIXQZSRNSPYCY-XIRDDKMYSA-N 0 3 395.500 0.541 20 0 GCADHN NC(=O)C[C@H]1CCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000808227809 1205603139 /nfs/dbraw/zinc/60/31/39/1205603139.db2.gz DNWPHFZXQSOBPU-UTKZUKDTSA-N 0 3 399.495 0.728 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCCOc1ccccc1 ZINC001131501048 1205613585 /nfs/dbraw/zinc/61/35/85/1205613585.db2.gz FEZZNIXIXFDWMP-VDZJLULYSA-N 0 3 375.469 0.703 20 0 GCADHN O=C(NCCNCCNS(=O)(=O)c1ccccc1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001131504046 1205613591 /nfs/dbraw/zinc/61/35/91/1205613591.db2.gz LGOKXZUJVYWRBN-BHYGNILZSA-N 0 3 381.498 0.486 20 0 GCADHN COc1ccc(CCNC(=O)CNCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001131521868 1205615990 /nfs/dbraw/zinc/61/59/90/1205615990.db2.gz KAJUVXVTTOITPL-GJNTUIEKSA-N 0 3 387.480 0.483 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCCCOC1CCCCC1 ZINC001131524786 1205617135 /nfs/dbraw/zinc/61/71/35/1205617135.db2.gz RBVRHBFRPPWEAH-GJNTUIEKSA-N 0 3 393.528 0.971 20 0 GCADHN C[C@@H](NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)NCCc1cccs1 ZINC001131524777 1205617232 /nfs/dbraw/zinc/61/72/32/1205617232.db2.gz QPWXNPSGMGKBRH-KFTDAMQQSA-N 0 3 377.510 0.925 20 0 GCADHN CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001131572391 1205618722 /nfs/dbraw/zinc/61/87/22/1205618722.db2.gz GXBCLSDMFYDSFC-XFKSJGNHSA-N 0 3 386.496 0.917 20 0 GCADHN Cc1ccsc1CNC(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131642044 1205621211 /nfs/dbraw/zinc/62/12/11/1205621211.db2.gz XQGOWADUHJBJHZ-GRDNDAEWSA-N 0 3 381.498 0.430 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)NCCCN1CCCC1=O ZINC001131663133 1205623044 /nfs/dbraw/zinc/62/30/44/1205623044.db2.gz SMJOWPDAMCIMAE-YESZJQIVSA-N 0 3 378.517 0.647 20 0 GCADHN CC(=O)N[C@@H]1CCCN(C(=O)CNCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001131659733 1205623393 /nfs/dbraw/zinc/62/33/93/1205623393.db2.gz OCRFLVMDKRQDLX-XWTMOSNGSA-N 0 3 378.517 0.646 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC000809403646 1205624220 /nfs/dbraw/zinc/62/42/20/1205624220.db2.gz FKMYRUXBCRDMJD-ZFWWWQNUSA-N 0 3 393.557 0.611 20 0 GCADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000809460206 1205625830 /nfs/dbraw/zinc/62/58/30/1205625830.db2.gz UBDZNKGCJGBVRN-SFHVURJKSA-N 0 3 383.496 0.947 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H](C)NC(C)=O)cc2)CC1 ZINC000809490121 1205626131 /nfs/dbraw/zinc/62/61/31/1205626131.db2.gz AQEHMCLTBHUWTM-AWEZNQCLSA-N 0 3 376.457 0.835 20 0 GCADHN CC(C)(C)OC(=O)NC1CC(N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000809617887 1205627506 /nfs/dbraw/zinc/62/75/06/1205627506.db2.gz CRFJLOODUQELLQ-NEXFUWMNSA-N 0 3 389.518 0.130 20 0 GCADHN C[C@@H]1CN(CCNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)CCO1 ZINC000747586380 1205632865 /nfs/dbraw/zinc/63/28/65/1205632865.db2.gz XPWOMRKYYJNFPN-HOJAQTOUSA-N 0 3 390.528 0.889 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000810269305 1205635182 /nfs/dbraw/zinc/63/51/82/1205635182.db2.gz DWADIPKAICCFTI-YESZJQIVSA-N 0 3 377.489 0.463 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](N(C)S(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001170611450 1205640557 /nfs/dbraw/zinc/64/05/57/1205640557.db2.gz UCWZQFRPSADHPP-OLZOCXBDSA-N 0 3 393.506 0.538 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000811744230 1205655291 /nfs/dbraw/zinc/65/52/91/1205655291.db2.gz ZRAAWBFZECWFOL-IEBWSBKVSA-N 0 3 392.544 0.990 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000811744231 1205655326 /nfs/dbraw/zinc/65/53/26/1205655326.db2.gz ZRAAWBFZECWFOL-MJGOQNOKSA-N 0 3 392.544 0.990 20 0 GCADHN O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001110103248 1205659396 /nfs/dbraw/zinc/65/93/96/1205659396.db2.gz LBXUSKNSAYNGGD-NEPXVJNWSA-N 0 3 377.485 0.974 20 0 GCADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccn(CCn3cccn3)n2)CC1 ZINC001133130952 1205660977 /nfs/dbraw/zinc/66/09/77/1205660977.db2.gz RTXPLFPVBJLQKH-UHFFFAOYSA-N 0 3 399.499 0.726 20 0 GCADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOC)C[C@H]1C ZINC000812156949 1205661560 /nfs/dbraw/zinc/66/15/60/1205661560.db2.gz WAYBCBUZRKBRLI-HZSPNIEDSA-N 0 3 388.538 0.454 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000812969824 1205670891 /nfs/dbraw/zinc/67/08/91/1205670891.db2.gz HOCITLVOWPZAGV-HNNXBMFYSA-N 0 3 387.484 0.157 20 0 GCADHN C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813325030 1205674922 /nfs/dbraw/zinc/67/49/22/1205674922.db2.gz VIWMALSUIHZXBA-GFCCVEGCSA-N 0 3 388.449 0.846 20 0 GCADHN CCCc1nnc(SCC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1N ZINC000813433636 1205676003 /nfs/dbraw/zinc/67/60/03/1205676003.db2.gz RYZWZPWFCLAJHU-ZDUSSCGKSA-N 0 3 397.549 0.095 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC1 ZINC000813752795 1205679964 /nfs/dbraw/zinc/67/99/64/1205679964.db2.gz YGRJBGYVYMYPOG-OAHLLOKOSA-N 0 3 388.534 0.812 20 0 GCADHN C[C@H](NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)NC(=O)NCC(F)(F)F ZINC001134102424 1205687351 /nfs/dbraw/zinc/68/73/51/1205687351.db2.gz LHDSODXHGAWZLR-ZDCRXTMVSA-N 0 3 380.367 0.036 20 0 GCADHN COc1ccc(CCNC(=O)CNCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC001134113660 1205687454 /nfs/dbraw/zinc/68/74/54/1205687454.db2.gz GCIFNTJVZZIURX-KURKYZTESA-N 0 3 375.469 0.627 20 0 GCADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CCC3(CCNC(=O)O3)CC2)cn1 ZINC001134598287 1205695407 /nfs/dbraw/zinc/69/54/07/1205695407.db2.gz FDCOXPCMOYOBML-HZPDHXFCSA-N 0 3 375.473 0.947 20 0 GCADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000815142271 1205698618 /nfs/dbraw/zinc/69/86/18/1205698618.db2.gz PVJWJMCNQLHHSE-XTIFCCNPSA-N 0 3 395.485 0.387 20 0 GCADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000815142268 1205698643 /nfs/dbraw/zinc/69/86/43/1205698643.db2.gz PVJWJMCNQLHHSE-BRSWLGOBSA-N 0 3 395.485 0.387 20 0 GCADHN CNC(=O)Oc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000815507237 1205705446 /nfs/dbraw/zinc/70/54/46/1205705446.db2.gz ZWFKWVBIAIFGRE-HIFRSBDPSA-N 0 3 376.413 0.323 20 0 GCADHN CN1CCN(C)C2(CCN([C@@H]3CC(=O)N(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC001171712048 1205709309 /nfs/dbraw/zinc/70/93/09/1205709309.db2.gz KMEJEOKSMOMYFM-CQSZACIVSA-N 0 3 380.489 0.761 20 0 GCADHN COC(=O)[C@@H]1C[C@H](C(=O)OC)CN([C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1 ZINC001171713160 1205709405 /nfs/dbraw/zinc/70/94/05/1205709405.db2.gz GJFGZFCSJGEAKH-FRRDWIJNSA-N 0 3 384.429 0.807 20 0 GCADHN CCOc1ccc([C@@H]2CCCN2C(=O)CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 ZINC001171943883 1205710667 /nfs/dbraw/zinc/71/06/67/1205710667.db2.gz WHIDGCNPJNNMRJ-ULQDDVLXSA-N 0 3 388.468 0.267 20 0 GCADHN CC(C)C(=O)N1CCN([C@@H]2CCN(C3CC3)C(=O)C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001172013751 1205711359 /nfs/dbraw/zinc/71/13/59/1205711359.db2.gz JXJSSAJYVIMNEJ-UTKZUKDTSA-N 0 3 390.528 0.979 20 0 GCADHN CC(C)C(=O)N1CCN([C@H]2CCN(C3CC3)C(=O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001172013747 1205711467 /nfs/dbraw/zinc/71/14/67/1205711467.db2.gz JXJSSAJYVIMNEJ-LAUBAEHRSA-N 0 3 390.528 0.979 20 0 GCADHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172016263 1205711693 /nfs/dbraw/zinc/71/16/93/1205711693.db2.gz SRRCPYVMPVKYBK-AWEZNQCLSA-N 0 3 381.502 0.291 20 0 GCADHN CCN1CC[C@H](N2CCN(C(=O)C(C)C)C[C@]3(CCCC(=O)N3)C2)CC1=O ZINC001172045506 1205712451 /nfs/dbraw/zinc/71/24/51/1205712451.db2.gz YHUXWIVEFGUHBF-JXFKEZNVSA-N 0 3 378.517 0.836 20 0 GCADHN CN(C)C(=O)CN1CC[C@@]2(CCCN(C3C[C@@H]4COC[C@H](C3)N4C)C2)C1=O ZINC001172137690 1205712917 /nfs/dbraw/zinc/71/29/17/1205712917.db2.gz YFLITYYDMGADGX-KVMCETHSSA-N 0 3 378.517 0.251 20 0 GCADHN COc1cc(OC)nc(CN2CCN(C3C[C@@H]4COC[C@H](C3)N4C)CC2)n1 ZINC001172140079 1205712931 /nfs/dbraw/zinc/71/29/31/1205712931.db2.gz RTMVNJRYNXSCSE-MQVJKMGUSA-N 0 3 377.489 0.473 20 0 GCADHN O=C([C@H]1Cn2nccc2CN([C@@H]2CCN3C(=O)CC[C@@H]3C2)C1)N1CCOCC1 ZINC001172173661 1205713695 /nfs/dbraw/zinc/71/36/95/1205713695.db2.gz LGHMSAGTEUPQSG-BRWVUGGUSA-N 0 3 387.484 0.327 20 0 GCADHN O=C([C@H]1Cn2nccc2CN([C@H]2CCN3C(=O)CC[C@@H]3C2)C1)N1CCOCC1 ZINC001172173663 1205713883 /nfs/dbraw/zinc/71/38/83/1205713883.db2.gz LGHMSAGTEUPQSG-IXDOHACOSA-N 0 3 387.484 0.327 20 0 GCADHN COC(=O)[C@H]1C[C@H](NC2CN(C3COC3)C2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172266875 1205714730 /nfs/dbraw/zinc/71/47/30/1205714730.db2.gz MXSTWCXTJPEWND-ZYSHUDEJSA-N 0 3 388.464 0.970 20 0 GCADHN CC1(C)C[C@@H](N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CO1 ZINC001172284309 1205715607 /nfs/dbraw/zinc/71/56/07/1205715607.db2.gz ILJAAPFXCBBJLY-QKPAOTATSA-N 0 3 386.514 0.148 20 0 GCADHN CC1(C)CC(N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC(C)(C)O1 ZINC001172654793 1205716772 /nfs/dbraw/zinc/71/67/72/1205716772.db2.gz KMRAABUZNNCACF-IRXDYDNUSA-N 0 3 391.512 0.886 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001110166406 1205717529 /nfs/dbraw/zinc/71/75/29/1205717529.db2.gz DSRLAPWBYPVFIP-UGUYLWEFSA-N 0 3 380.489 0.092 20 0 GCADHN COc1ccc(CN2CC[C@@H](N[C@H]3CCS(=O)(=O)C3)CC2=O)c(OC)c1 ZINC001173015378 1205718139 /nfs/dbraw/zinc/71/81/39/1205718139.db2.gz CEXWLPJDYYCMCG-CABCVRRESA-N 0 3 382.482 0.972 20 0 GCADHN CCSC[C@H](C)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001173301198 1205719195 /nfs/dbraw/zinc/71/91/95/1205719195.db2.gz JQBHJQWZGAKXFM-VZAMPYOESA-N 0 3 383.514 0.385 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2CC[C@H](CO)[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001173496899 1205721395 /nfs/dbraw/zinc/72/13/95/1205721395.db2.gz LJZVYMQMCDTUBU-ZJPYXAASSA-N 0 3 376.453 0.508 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N[C@]2(C)CCS(=O)(=O)C2)CCN1C(=O)c1ccccc1 ZINC001173497250 1205721508 /nfs/dbraw/zinc/72/15/08/1205721508.db2.gz RUBRGQVLRLTMMS-JTDSTZFVSA-N 0 3 394.493 1.000 20 0 GCADHN COC(=O)[C@H]1C[C@H](N2CCC(NC(N)=O)CC2)CCN1C(=O)c1ccccc1 ZINC001173500343 1205721539 /nfs/dbraw/zinc/72/15/39/1205721539.db2.gz XEPMSDPFIXEFCI-IAGOWNOFSA-N 0 3 388.468 0.966 20 0 GCADHN CC[C@]1(C(=O)OC)C[C@H](NS(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001173539380 1205722733 /nfs/dbraw/zinc/72/27/33/1205722733.db2.gz IGVKGFDPODJMNN-XHDPSFHLSA-N 0 3 379.479 0.196 20 0 GCADHN CC[C@@]1(C(=O)OC)C[C@H](NCCN2CCNC2=O)CN1C(=O)OC(C)(C)C ZINC001173511249 1205722814 /nfs/dbraw/zinc/72/28/14/1205722814.db2.gz HKIAPPNJECFMED-UGSOOPFHSA-N 0 3 384.477 0.932 20 0 GCADHN CC[C@]1(C(=O)OC)C[C@@H](NC[C@H]2CNC(=O)CO2)CN1C(=O)OC(C)(C)C ZINC001173536234 1205723367 /nfs/dbraw/zinc/72/33/67/1205723367.db2.gz UYVAQIHFOAFIJV-FHSNZYRGSA-N 0 3 385.461 0.422 20 0 GCADHN CC[C@]1(C(=O)OC)C[C@@H](NC[C@@H]2CNC(=O)CO2)CN1C(=O)OC(C)(C)C ZINC001173536237 1205723437 /nfs/dbraw/zinc/72/34/37/1205723437.db2.gz UYVAQIHFOAFIJV-SNUQEOBHSA-N 0 3 385.461 0.422 20 0 GCADHN CC[C@]1(C(=O)OC)C[C@H](NC[C@@H]2CNC(=O)CO2)CN1C(=O)OC(C)(C)C ZINC001173536238 1205723510 /nfs/dbraw/zinc/72/35/10/1205723510.db2.gz UYVAQIHFOAFIJV-VEVIJQCQSA-N 0 3 385.461 0.422 20 0 GCADHN CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)NC(C)(C)C1=O ZINC001095234310 1205725857 /nfs/dbraw/zinc/72/58/57/1205725857.db2.gz PNNJJQUXCUSVGG-CBBWQLFWSA-N 0 3 377.489 0.133 20 0 GCADHN CN(C)Cc1ccccc1Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001173929484 1205728930 /nfs/dbraw/zinc/72/89/30/1205728930.db2.gz CTKHRHYSOZUWNE-WOCWXWTJSA-N 0 3 399.451 0.848 20 0 GCADHN Cc1cnccc1Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001174536720 1205730789 /nfs/dbraw/zinc/73/07/89/1205730789.db2.gz KNJFHIJGEVLWCY-QJPTWQEYSA-N 0 3 376.804 0.989 20 0 GCADHN CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)C1 ZINC001175181956 1205736161 /nfs/dbraw/zinc/73/61/61/1205736161.db2.gz YWGFFOWKRRLKOA-IMJJTQAJSA-N 0 3 381.473 0.967 20 0 GCADHN CC(C)(C)OC(=O)N1CCC[C@@H](CNC2(C(N)=O)CCS(=O)(=O)CC2)C1 ZINC001175542655 1205738639 /nfs/dbraw/zinc/73/86/39/1205738639.db2.gz QJNRNHJJDNRSJP-ZDUSSCGKSA-N 0 3 389.518 0.656 20 0 GCADHN C[C@H](O)[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001175638402 1205739724 /nfs/dbraw/zinc/73/97/24/1205739724.db2.gz LLYJKTLHBLKYNF-RMEBNNNOSA-N 0 3 385.461 0.243 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@H]3CCNC(=O)[C@H]32)c1 ZINC001175662097 1205739953 /nfs/dbraw/zinc/73/99/53/1205739953.db2.gz WHVQCQHKNZINLX-LRDDRELGSA-N 0 3 380.470 0.263 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccnc1)C2 ZINC001110193063 1205744958 /nfs/dbraw/zinc/74/49/58/1205744958.db2.gz NWZHBEBRZPUXEP-SQNIBIBYSA-N 0 3 377.489 0.538 20 0 GCADHN Cc1nnc(CCC(=O)n2ccc(=NCCN3CCOCC3)c(N)c2)s1 ZINC001176275231 1205745370 /nfs/dbraw/zinc/74/53/70/1205745370.db2.gz IZUQWHRLLFWBQK-UHFFFAOYSA-N 0 3 376.486 0.736 20 0 GCADHN CS(=O)(=O)c1ccc(-n2ccc(=NCCN3CCOCC3)c(N)c2)c(F)c1 ZINC001176274101 1205745412 /nfs/dbraw/zinc/74/54/12/1205745412.db2.gz DTBQTJOSWBFEAJ-UHFFFAOYSA-N 0 3 394.472 0.835 20 0 GCADHN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC001176379707 1205746187 /nfs/dbraw/zinc/74/61/87/1205746187.db2.gz FTWKFCCVZQDXEX-QGZVFWFLSA-N 0 3 377.489 0.608 20 0 GCADHN O=C(Cn1ccnc1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001110194964 1205747432 /nfs/dbraw/zinc/74/74/32/1205747432.db2.gz KCUSVDFNZWQZMK-FZCLSBEQSA-N 0 3 378.473 0.161 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2C)CC1 ZINC000148587729 1205748301 /nfs/dbraw/zinc/74/83/01/1205748301.db2.gz CEPVSQGUBVNYSM-UHFFFAOYSA-N 0 3 377.441 0.947 20 0 GCADHN Cn1cc(I)c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)n1 ZINC001176542994 1205748309 /nfs/dbraw/zinc/74/83/09/1205748309.db2.gz UABSAAVYFAAXIY-VHSXEESVSA-N 0 3 390.225 0.306 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CC[C@@H](c3cnccn3)C2)c1 ZINC001176513856 1205748605 /nfs/dbraw/zinc/74/86/05/1205748605.db2.gz AARQLHMGASSKII-CYBMUJFWSA-N 0 3 375.454 0.942 20 0 GCADHN O=C(Cn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001111502533 1205749295 /nfs/dbraw/zinc/74/92/95/1205749295.db2.gz KCUSVDFNZWQZMK-ATLSCFEFSA-N 0 3 378.473 0.161 20 0 GCADHN Cc1cccc(CN2CCO[C@H]3CN(C(=O)Cc4c[nH]cn4)CC[C@H]3C2=O)n1 ZINC001176828829 1205755857 /nfs/dbraw/zinc/75/58/57/1205755857.db2.gz HKDRESSJFXHVHG-MSOLQXFVSA-N 0 3 383.452 0.932 20 0 GCADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN[C@@H](CO)C(C)C)C2=O)cc1 ZINC001177039108 1205760346 /nfs/dbraw/zinc/76/03/46/1205760346.db2.gz UCZHWBZPSNGYBN-KSSFIOAISA-N 0 3 378.429 0.100 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)OC(C)(C)C)CC1 ZINC001177093741 1205762325 /nfs/dbraw/zinc/76/23/25/1205762325.db2.gz GXOALVYDTZRRGZ-AWEZNQCLSA-N 0 3 381.477 0.418 20 0 GCADHN CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2CCc4[nH]cnc4C2)CC3)CC1 ZINC001177174908 1205763426 /nfs/dbraw/zinc/76/34/26/1205763426.db2.gz ADPCYJQDULRBIY-HNNXBMFYSA-N 0 3 383.500 0.501 20 0 GCADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001177177625 1205763710 /nfs/dbraw/zinc/76/37/10/1205763710.db2.gz ZZRIDJKIFNGVAS-JTQLQIEISA-N 0 3 379.442 0.137 20 0 GCADHN O=C(C1CN(c2cnccn2)C1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001178091990 1205782591 /nfs/dbraw/zinc/78/25/91/1205782591.db2.gz NWFVLLJOQKQCBI-RBUKOAKNSA-N 0 3 394.479 0.810 20 0 GCADHN CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1nnc(Cc2ccccc2)[nH]1 ZINC001178424410 1205787307 /nfs/dbraw/zinc/78/73/07/1205787307.db2.gz WTFXZCNCZXDBEQ-HNNXBMFYSA-N 0 3 382.424 0.952 20 0 GCADHN CN1C[C@@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)CC1=O ZINC001178526402 1205788711 /nfs/dbraw/zinc/78/87/11/1205788711.db2.gz SARFTKDGYVARCI-ILXRZTDVSA-N 0 3 380.489 0.522 20 0 GCADHN CN1CCC[C@H]2CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C[C@H]21 ZINC001178502923 1205788927 /nfs/dbraw/zinc/78/89/27/1205788927.db2.gz XTDAAPFDTMRVND-LSDHHAIUSA-N 0 3 380.489 0.618 20 0 GCADHN O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178593078 1205789712 /nfs/dbraw/zinc/78/97/12/1205789712.db2.gz GYXDZCWCWLLRHP-IYERYRBDSA-N 0 3 396.487 0.927 20 0 GCADHN N[C@@H]1NCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)[C@@H]2NCN[C@@H]21 ZINC001178592954 1205789736 /nfs/dbraw/zinc/78/97/36/1205789736.db2.gz ANSATRMJIKDMSK-NRSPTQNISA-N 0 3 392.507 0.227 20 0 GCADHN CN1CCC(CO)(NC(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001178862321 1205796373 /nfs/dbraw/zinc/79/63/73/1205796373.db2.gz DOLMPNXODDXZAJ-IBGZPJMESA-N 0 3 385.505 0.711 20 0 GCADHN O=C(Cn1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cn1)NC1CCCCC1 ZINC001179008160 1205799048 /nfs/dbraw/zinc/79/90/48/1205799048.db2.gz HZLRSDFOJGOGDF-MRXNPFEDSA-N 0 3 375.473 0.535 20 0 GCADHN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)N1CC(N[C@H]2CCOC2)C1 ZINC001179008985 1205799485 /nfs/dbraw/zinc/79/94/85/1205799485.db2.gz WDVLPYVLAJUYNO-KRWDZBQOSA-N 0 3 386.496 0.705 20 0 GCADHN O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CC(N[C@H]2CCOC2)C1 ZINC001179008891 1205799498 /nfs/dbraw/zinc/79/94/98/1205799498.db2.gz UKKUJCARYAPXEQ-HNNXBMFYSA-N 0 3 379.482 0.578 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001179056468 1205800224 /nfs/dbraw/zinc/80/02/24/1205800224.db2.gz RLDIOTIASKLFIW-VCBZYWHSSA-N 0 3 385.505 0.783 20 0 GCADHN C[C@H]1[C@@H](NCC(=O)NC2CCOCC2)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001179179044 1205803486 /nfs/dbraw/zinc/80/34/86/1205803486.db2.gz GPKBFMLUZTWQPD-LAFZTWGZSA-N 0 3 377.485 0.284 20 0 GCADHN C[C@H]1[C@@H](NCC(=O)NC2CCCC2)CCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001179202711 1205804488 /nfs/dbraw/zinc/80/44/88/1205804488.db2.gz LWUFXZBHCABHCD-OLIUUXKNSA-N 0 3 379.501 0.676 20 0 GCADHN C[C@H]1[C@@H](NCC(=O)N(C)CC2CC2)CCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001179202725 1205804574 /nfs/dbraw/zinc/80/45/74/1205804574.db2.gz LYNVLEGNOTXNBU-GQSKVQJVSA-N 0 3 379.501 0.485 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)CC1=O ZINC001179739385 1205814118 /nfs/dbraw/zinc/81/41/18/1205814118.db2.gz KURANLUBZZEMJY-KFWWJZLASA-N 0 3 380.489 0.617 20 0 GCADHN CCN(CC)CC(=O)N1CCCn2c(=O)cc(CNC(=O)CC(C)C)nc2C1 ZINC001180386720 1205823354 /nfs/dbraw/zinc/82/33/54/1205823354.db2.gz BBTSYNDQIOXLCJ-UHFFFAOYSA-N 0 3 391.516 0.980 20 0 GCADHN CCN(CC)CC(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001180389616 1205823518 /nfs/dbraw/zinc/82/35/18/1205823518.db2.gz ZZFVTQKMMUVXMO-QILLFSRXSA-N 0 3 375.473 0.554 20 0 GCADHN C[C@H](C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21)N1CCCC1 ZINC001180576896 1205826093 /nfs/dbraw/zinc/82/60/93/1205826093.db2.gz BAAQKXXXMJQAIL-MXSMSXNCSA-N 0 3 387.484 0.697 20 0 GCADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H](C)N1CCCC1)C2 ZINC001180578581 1205826200 /nfs/dbraw/zinc/82/62/00/1205826200.db2.gz GQNOZLJNEMPCPY-KKSFZXQISA-N 0 3 399.495 0.732 20 0 GCADHN CN(CC(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2)C1CCCC1 ZINC001180628533 1205828797 /nfs/dbraw/zinc/82/87/97/1205828797.db2.gz UKZTVRYTNXBFIA-FQEVSTJZSA-N 0 3 389.500 0.785 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@](C)(CO)Cn2cnc3ccccc32)CC1=O ZINC001180721548 1205831642 /nfs/dbraw/zinc/83/16/42/1205831642.db2.gz UGCFAHIHKWORHM-YWZLYKJASA-N 0 3 387.484 0.314 20 0 GCADHN CC(=O)N1[C@H](C(=O)NCCON)CSC12CCN(Cc1ccccc1)CC2 ZINC001180821669 1205832986 /nfs/dbraw/zinc/83/29/86/1205832986.db2.gz HHRBUSYCJYJZQQ-KRWDZBQOSA-N 0 3 392.525 0.949 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@@H](CC(F)(F)F)NC(C)=O)CC2 ZINC001181331469 1205842353 /nfs/dbraw/zinc/84/23/53/1205842353.db2.gz OBOTYILPLXWWFV-CYBMUJFWSA-N 0 3 392.422 0.647 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)C[C@H](CCC(N)=O)NC(=O)OC(C)(C)C ZINC001181437901 1205844605 /nfs/dbraw/zinc/84/46/05/1205844605.db2.gz HUHBRLSKCRVZFH-KBPBESRZSA-N 0 3 386.493 0.324 20 0 GCADHN CC(C)(C)OC(=O)N1CCN2C[C@@H](CNC(=O)c3ccc(=O)[nH]n3)C[C@H]2C1 ZINC001181705576 1205848594 /nfs/dbraw/zinc/84/85/94/1205848594.db2.gz SKDPSKUKYVQUTN-HZSPNIEDSA-N 0 3 377.445 0.961 20 0 GCADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000817528327 1205850071 /nfs/dbraw/zinc/85/00/71/1205850071.db2.gz PRICJQYPAQIPBS-MCIONIFRSA-N 0 3 385.461 0.422 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(C1)COCCN(CC(=O)NC)C2 ZINC001181991546 1205852830 /nfs/dbraw/zinc/85/28/30/1205852830.db2.gz ALAYOTWEDQZRQT-PXNSSMCTSA-N 0 3 380.533 0.548 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001181996261 1205852886 /nfs/dbraw/zinc/85/28/86/1205852886.db2.gz NOGALBAYSJPRBR-SFHVURJKSA-N 0 3 388.512 0.738 20 0 GCADHN COc1cc2cc(C(N)=O)c(NC(=O)C3(O)CCN(C)CC3)nc2cc1OC ZINC001182028608 1205853521 /nfs/dbraw/zinc/85/35/21/1205853521.db2.gz XJSHSADMQKGJTP-UHFFFAOYSA-N 0 3 388.424 0.746 20 0 GCADHN CN1CCC(O)(C(=O)N[C@@H](CO)[C@@H](O)c2ccc(Br)cc2)CC1 ZINC001182029036 1205853524 /nfs/dbraw/zinc/85/35/24/1205853524.db2.gz MBWOXMHHHPNQDO-KBPBESRZSA-N 0 3 387.274 0.416 20 0 GCADHN CN1CCC(O)(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1 ZINC001182028769 1205853740 /nfs/dbraw/zinc/85/37/40/1205853740.db2.gz DQRIBYFCQUTBIX-UHFFFAOYSA-N 0 3 377.485 0.471 20 0 GCADHN CN1CCC(O)(C(=O)N2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)CC1 ZINC001182031066 1205853790 /nfs/dbraw/zinc/85/37/90/1205853790.db2.gz KRECYMIKKWGSSN-NVXWUHKLSA-N 0 3 391.468 0.426 20 0 GCADHN CN1CCC(O)(C(=O)NC[C@@H]2Cn3nnc(-c4cccc(F)c4)c3CO2)CC1 ZINC001182033853 1205854280 /nfs/dbraw/zinc/85/42/80/1205854280.db2.gz QMTSVDAPXGFQSX-OAHLLOKOSA-N 0 3 389.431 0.556 20 0 GCADHN CC(C)C[C@H](NC(=O)C1(O)CCN(C)CC1)C(=O)NCC(=O)OC(C)(C)C ZINC001182037105 1205854325 /nfs/dbraw/zinc/85/43/25/1205854325.db2.gz UYTJWGPTUKNUJO-AWEZNQCLSA-N 0 3 385.505 0.432 20 0 GCADHN CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(C)(N(C)C)C1 ZINC001182106331 1205857491 /nfs/dbraw/zinc/85/74/91/1205857491.db2.gz ZINJSSHWIMSVPX-ZDUSSCGKSA-N 0 3 388.534 0.869 20 0 GCADHN Cc1noc(C)c1CN(C)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000774184916 1205865831 /nfs/dbraw/zinc/86/58/31/1205865831.db2.gz ACNKQOMFIDNWRJ-MRXNPFEDSA-N 0 3 393.488 0.309 20 0 GCADHN COc1ccc(NC(=O)[C@@H]2C[C@@H]2C(N)=O)cc1OCCCN1CCN(C)CC1 ZINC001182385861 1205866999 /nfs/dbraw/zinc/86/69/99/1205866999.db2.gz XXVRXWWEGASPHI-JKSUJKDBSA-N 0 3 390.484 0.771 20 0 GCADHN Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cc2)o1 ZINC000774254785 1205867385 /nfs/dbraw/zinc/86/73/85/1205867385.db2.gz UOSOBDHKIBMIDV-JKSUJKDBSA-N 0 3 385.424 0.963 20 0 GCADHN NC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001182393965 1205868473 /nfs/dbraw/zinc/86/84/73/1205868473.db2.gz XXTLWLFHWOOWCJ-AOIWGVFYSA-N 0 3 393.443 0.907 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC001182455382 1205871804 /nfs/dbraw/zinc/87/18/04/1205871804.db2.gz ODMWSMAFPVKBHW-INIZCTEOSA-N 0 3 376.501 0.448 20 0 GCADHN NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC001182462494 1205873254 /nfs/dbraw/zinc/87/32/54/1205873254.db2.gz VNUXDCKZZRQGOK-SFHVURJKSA-N 0 3 398.507 0.881 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1(CO)CCN(C)CC1 ZINC001182873002 1205882124 /nfs/dbraw/zinc/88/21/24/1205882124.db2.gz BWETZTMQEBNJAO-LBPRGKRZSA-N 0 3 389.905 0.580 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)Cn1c(=O)cnc3ccccc31)CC2 ZINC001182944568 1205883366 /nfs/dbraw/zinc/88/33/66/1205883366.db2.gz YHWMHEKCCZQNQO-UHFFFAOYSA-N 0 3 397.479 0.600 20 0 GCADHN CN(C)CCN(C(=O)[C@H]1CCNC1=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183002011 1205884658 /nfs/dbraw/zinc/88/46/58/1205884658.db2.gz OVGFEPBATNAIMV-GJZGRUSLSA-N 0 3 382.505 0.912 20 0 GCADHN COc1ccc(NC(=O)[C@H]2CCNC2=O)cc1OCCCN1CCN(C)CC1 ZINC001183011529 1205884906 /nfs/dbraw/zinc/88/49/06/1205884906.db2.gz KKLBNMFNTVFXFU-INIZCTEOSA-N 0 3 390.484 0.786 20 0 GCADHN CN1C[C@@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)NC1=O ZINC001183075378 1205886541 /nfs/dbraw/zinc/88/65/41/1205886541.db2.gz VEADBQXFURNHRZ-RDBSUJKOSA-N 0 3 381.477 0.067 20 0 GCADHN CC(=O)N1CSC[C@H]1C(=O)N1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001183141296 1205887490 /nfs/dbraw/zinc/88/74/90/1205887490.db2.gz GXOVHZNESYJYEW-INIZCTEOSA-N 0 3 390.509 0.544 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2)N(C)C ZINC001183359925 1205891274 /nfs/dbraw/zinc/89/12/74/1205891274.db2.gz JPGZIVSEDOPXBI-QGZVFWFLSA-N 0 3 375.473 0.787 20 0 GCADHN CC(C)[C@H](C(=O)N1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2)N(C)C ZINC001183359976 1205891431 /nfs/dbraw/zinc/89/14/31/1205891431.db2.gz LNOCMGQUABQVFU-DNVCBOLYSA-N 0 3 382.505 0.911 20 0 GCADHN CC(C)[C@H](C(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21)N(C)C ZINC001183363172 1205891461 /nfs/dbraw/zinc/89/14/61/1205891461.db2.gz SBHMJXDHAYPMRM-YLFCFFPRSA-N 0 3 377.489 0.495 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@@H](O)Cc1ccc(O)cc1)CC2 ZINC001183897978 1205902133 /nfs/dbraw/zinc/90/21/33/1205902133.db2.gz SNQCZYRURQIJNY-KRWDZBQOSA-N 0 3 375.469 0.499 20 0 GCADHN COC(=O)N[C@H](C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1)C(C)C ZINC001183949857 1205903248 /nfs/dbraw/zinc/90/32/48/1205903248.db2.gz IMRPUIBJOBXQPS-KRWDZBQOSA-N 0 3 382.505 0.960 20 0 GCADHN COCC[C@@H](CN1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC001184055213 1205904689 /nfs/dbraw/zinc/90/46/89/1205904689.db2.gz LILFIYWVBMMWLE-RDBSUJKOSA-N 0 3 379.523 0.773 20 0 GCADHN N[C@@H]1NCN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@@H]2NCN[C@@H]21 ZINC001184404856 1205909026 /nfs/dbraw/zinc/90/90/26/1205909026.db2.gz MTGMWFUZSDFCPQ-DZUCGIPZSA-N 0 3 378.908 0.071 20 0 GCADHN CC(C)(C)NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001184408252 1205909593 /nfs/dbraw/zinc/90/95/93/1205909593.db2.gz MDWSYLIPVBJEOF-KNCOVGOOSA-N 0 3 380.489 0.616 20 0 GCADHN COc1cccc(CNC(=O)CN[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001184433332 1205910497 /nfs/dbraw/zinc/91/04/97/1205910497.db2.gz GQAWYMOJXQQARN-WEZPBNDISA-N 0 3 399.491 0.925 20 0 GCADHN Cc1nc(I)oc1C(=O)NC1(CO)CCN(C)CC1 ZINC001184659149 1205912553 /nfs/dbraw/zinc/91/25/53/1205912553.db2.gz DJTJBAQCMKWGGX-UHFFFAOYSA-N 0 3 379.198 0.774 20 0 GCADHN CN(C)CCN1CCN(S(=O)(=O)Cc2cc(F)cc(F)c2)CCC1=O ZINC001185118371 1205917108 /nfs/dbraw/zinc/91/71/08/1205917108.db2.gz XLWKLWMFGCTVRE-UHFFFAOYSA-N 0 3 375.441 0.891 20 0 GCADHN C[C@H]1C[C@@H]1c1ncc(C(=O)n2ccc(=NCCN3CCOCC3)c(N)c2)cn1 ZINC001185114262 1205917155 /nfs/dbraw/zinc/91/71/55/1205917155.db2.gz GBLYMEHYWTWNKD-HOCLYGCPSA-N 0 3 382.468 0.905 20 0 GCADHN C[C@H](C(=O)N1CC[C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]21)N1CCCC1 ZINC001273504253 1205922782 /nfs/dbraw/zinc/92/27/82/1205922782.db2.gz DKHSWIVFHCUIMC-QLFBSQMISA-N 0 3 381.502 0.126 20 0 GCADHN C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cn(C)cn1)N1CCCC1 ZINC001273504455 1205922785 /nfs/dbraw/zinc/92/27/85/1205922785.db2.gz GPRNKHOQCFMHHN-SOUVJXGZSA-N 0 3 381.502 0.268 20 0 GCADHN COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CCCN(C)[C@H]2C1)C(C)C ZINC001185677907 1205928036 /nfs/dbraw/zinc/92/80/36/1205928036.db2.gz VLLUARXMLNRVCR-QZWWFDLISA-N 0 3 394.516 0.911 20 0 GCADHN COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CCCN(C)[C@@H]2C1)C(C)C ZINC001185677909 1205928101 /nfs/dbraw/zinc/92/81/01/1205928101.db2.gz VLLUARXMLNRVCR-TWMKSMIVSA-N 0 3 394.516 0.911 20 0 GCADHN CN(Cc1cnn(C)c1)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001185783857 1205929071 /nfs/dbraw/zinc/92/90/71/1205929071.db2.gz JXWBNUCEVBIKKH-VQHPVUNQSA-N 0 3 375.473 0.137 20 0 GCADHN COC(=O)N1CCC[C@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000774923284 1205929091 /nfs/dbraw/zinc/92/90/91/1205929091.db2.gz MIHAOCKKEPDXFK-IRXDYDNUSA-N 0 3 390.484 0.623 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1)Cc1ccccc1 ZINC000774926892 1205929197 /nfs/dbraw/zinc/92/91/97/1205929197.db2.gz XUBLMKNSXHOQIJ-QZTJIDSGSA-N 0 3 389.496 0.887 20 0 GCADHN CN1CCC[C@H](NC(=O)CNC(=O)OCC2=Cc3ccccc3S2(=O)=O)C1 ZINC001185820245 1205929946 /nfs/dbraw/zinc/92/99/46/1205929946.db2.gz QKOLKLIQRUZIHI-AWEZNQCLSA-N 0 3 393.465 0.751 20 0 GCADHN CCc1cc(CNC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)n[nH]1 ZINC000774957865 1205932829 /nfs/dbraw/zinc/93/28/29/1205932829.db2.gz YTROGBSPMQXVRK-UHFFFAOYSA-N 0 3 398.511 0.522 20 0 GCADHN CC(C)(C)OC(=O)NC1CCN([C@@H]2CCN(C(=O)CN3CC[C@@H](O)C3)C2)CC1 ZINC001186044991 1205933988 /nfs/dbraw/zinc/93/39/88/1205933988.db2.gz NYJVJFVBINUJBX-IAGOWNOFSA-N 0 3 396.532 0.643 20 0 GCADHN CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN(C)[C@H]2C1)C(C)C ZINC001186615603 1205943323 /nfs/dbraw/zinc/94/33/23/1205943323.db2.gz HMRWBPRIABFDJM-QZWWFDLISA-N 0 3 398.573 0.548 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000775037747 1205943462 /nfs/dbraw/zinc/94/34/62/1205943462.db2.gz MHYFBHLDBRHFDI-LSDHHAIUSA-N 0 3 382.505 0.960 20 0 GCADHN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)N1CC(C)(N(C)C)C1 ZINC001186699087 1205945728 /nfs/dbraw/zinc/94/57/28/1205945728.db2.gz YDPXZSRHDBLBGD-INIZCTEOSA-N 0 3 375.469 0.830 20 0 GCADHN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)N[C@H]1CCCN(C)C1 ZINC001186707029 1205945998 /nfs/dbraw/zinc/94/59/98/1205945998.db2.gz FGDULQWIPAPBGB-IRXDYDNUSA-N 0 3 375.469 0.878 20 0 GCADHN CN1CCN(C[C@@H]2Cn3ccnc3CN(C(=O)NCC3CCOCC3)C2)CC1 ZINC001186919313 1205951814 /nfs/dbraw/zinc/95/18/14/1205951814.db2.gz PABMZQXGZYBBRE-GOSISDBHSA-N 0 3 390.532 0.699 20 0 GCADHN [NH3+]CCN=c1ccc(Br)cn1C(=O)c1ccccc1-c1nnn[n-]1 ZINC001187008220 1205953601 /nfs/dbraw/zinc/95/36/01/1205953601.db2.gz LZRSWJDXCTYRBQ-UHFFFAOYSA-N 0 3 388.229 0.979 20 0 GCADHN [NH3+]CCN=c1ccc(Br)cn1C(=O)c1ccccc1-c1nn[n-]n1 ZINC001187008220 1205953603 /nfs/dbraw/zinc/95/36/03/1205953603.db2.gz LZRSWJDXCTYRBQ-UHFFFAOYSA-N 0 3 388.229 0.979 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1)N1CCOCC1 ZINC001187171607 1205957543 /nfs/dbraw/zinc/95/75/43/1205957543.db2.gz NZOMZHJNZXIONH-BBWFWOEESA-N 0 3 396.532 0.765 20 0 GCADHN CN1CCC[C@@](C)(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187541070 1205965195 /nfs/dbraw/zinc/96/51/95/1205965195.db2.gz IGYSNROFDDPUKR-XGHQBKJUSA-N 0 3 386.496 0.593 20 0 GCADHN CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001110396015 1205967798 /nfs/dbraw/zinc/96/77/98/1205967798.db2.gz JIIJZQJQGFVUPR-XQHKEYJVSA-N 0 3 381.395 0.174 20 0 GCADHN COC(=O)CCS(=O)(=O)N1CCC(N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001188383891 1205981278 /nfs/dbraw/zinc/98/12/78/1205981278.db2.gz JLFOYOCZHOZPSG-ZDUSSCGKSA-N 0 3 376.475 0.229 20 0 GCADHN CC(C)COCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC001189118119 1205995794 /nfs/dbraw/zinc/99/57/94/1205995794.db2.gz QRCNEIUAEYKCSV-XWTMOSNGSA-N 0 3 381.517 0.828 20 0 GCADHN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC[C@@H]2CCOC2)c1C ZINC001110408303 1206005695 /nfs/dbraw/zinc/00/56/95/1206005695.db2.gz ZJNCDYMOOQIINE-JJXSEGSLSA-N 0 3 375.473 0.514 20 0 GCADHN COc1cc(S(N)(=O)=O)cc(C(=O)N2C[C@H]3[C@H](C2)CCCN3C)c1OC ZINC001189558822 1206010290 /nfs/dbraw/zinc/01/02/90/1206010290.db2.gz IBQVZDKECHJTAN-FZMZJTMJSA-N 0 3 383.470 0.517 20 0 GCADHN CN1C(=O)C[C@@H](C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)NC1=O ZINC001273591897 1206024827 /nfs/dbraw/zinc/02/48/27/1206024827.db2.gz DPDZPNJUOBHMAP-SDDRHHMPSA-N 0 3 376.379 0.802 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC001190839767 1206047762 /nfs/dbraw/zinc/04/77/62/1206047762.db2.gz JSFYPFZOXFFIAK-UHFFFAOYSA-N 0 3 394.541 0.542 20 0 GCADHN CS(=O)(=O)c1cc(C(F)(F)N2CCN3CCNC[C@H]3C2)cnc1Cl ZINC001164400015 718844594 /nfs/dbraw/zinc/84/45/94/718844594.db2.gz NIFNNELSQBNJCN-NSHDSACASA-N 0 3 380.848 0.777 20 0 GCADHN CC(C)CN1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1 ZINC001164650909 719330028 /nfs/dbraw/zinc/33/00/28/719330028.db2.gz AGCCQQSHBGXGBW-UHFFFAOYSA-N 0 3 391.520 0.323 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1ncccc1C(=O)N(C)OC)CC2 ZINC001164684403 719730978 /nfs/dbraw/zinc/73/09/78/719730978.db2.gz GZFCRNQKZSSMFO-UHFFFAOYSA-N 0 3 375.473 0.896 20 0 GCADHN CCNS(=O)(=O)c1ccc(N2CCC3(CCCN3CC(=O)NC)CC2)nc1 ZINC001164689354 719740411 /nfs/dbraw/zinc/74/04/11/719740411.db2.gz CJJKZRHGMYKCNG-UHFFFAOYSA-N 0 3 395.529 0.561 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164689829 719746174 /nfs/dbraw/zinc/74/61/74/719746174.db2.gz KXVJMZNTNHUXIL-UHFFFAOYSA-N 0 3 382.468 0.808 20 0 GCADHN CN(C)C[C@@H]1Cn2ccnc2CN(c2cc(Cl)nc(S(C)(=O)=O)n2)C1 ZINC001164727799 720505178 /nfs/dbraw/zinc/50/51/78/720505178.db2.gz DJHQTGJSJWLJIU-LLVKDONJSA-N 0 3 384.893 0.928 20 0 GCADHN c1ncc(O[C@@H]2C[C@H]3CN(c4cc(N5CCOCC5)ncn4)CCN3C2)cn1 ZINC001164740309 720628765 /nfs/dbraw/zinc/62/87/65/720628765.db2.gz IMNPFGPTAGXJLU-JKSUJKDBSA-N 0 3 383.456 0.445 20 0 GCADHN CON(C)C(=O)c1cccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744616 720736865 /nfs/dbraw/zinc/73/68/65/720736865.db2.gz RPJYXCCLIQMELS-LSDHHAIUSA-N 0 3 384.440 0.847 20 0 GCADHN Cc1nn[nH]c1C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571257829 945344395 /nfs/dbraw/zinc/34/43/95/945344395.db2.gz JZWVHPWDRNKLGE-UHFFFAOYSA-N 0 3 385.407 0.731 20 0 GCADHN Cc1nn[nH]c1C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571257829 945344404 /nfs/dbraw/zinc/34/44/04/945344404.db2.gz JZWVHPWDRNKLGE-UHFFFAOYSA-N 0 3 385.407 0.731 20 0 GCADHN Cn1ncc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)c1N ZINC001571257952 945344528 /nfs/dbraw/zinc/34/45/28/945344528.db2.gz KJAIYWLNOHGCEX-NSHDSACASA-N 0 3 385.407 0.326 20 0 GCADHN Cn1ncc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)c1N ZINC001571257952 945344539 /nfs/dbraw/zinc/34/45/39/945344539.db2.gz KJAIYWLNOHGCEX-NSHDSACASA-N 0 3 385.407 0.326 20 0 GCADHN O=C(Cn1cncn1)NC1CC(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571258055 945346861 /nfs/dbraw/zinc/34/68/61/945346861.db2.gz LXPMTAOLEWJGEX-UHFFFAOYSA-N 0 3 385.407 0.282 20 0 GCADHN O=C(CCn1cncn1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571258198 945349932 /nfs/dbraw/zinc/34/99/32/945349932.db2.gz NPJWMECOPVBUPG-CYBMUJFWSA-N 0 3 385.407 0.378 20 0 GCADHN Cn1nncc1C(=O)N1CCC[C@@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001571258658 945362110 /nfs/dbraw/zinc/36/21/10/945362110.db2.gz YQGNVVOFTPZDQP-CYBMUJFWSA-N 0 3 385.407 0.529 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736860780 944900959 /nfs/dbraw/zinc/90/09/59/944900959.db2.gz VZKBYUYKLVGWOW-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736860780 944900960 /nfs/dbraw/zinc/90/09/60/944900960.db2.gz VZKBYUYKLVGWOW-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736860780 944900965 /nfs/dbraw/zinc/90/09/65/944900965.db2.gz VZKBYUYKLVGWOW-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736860780 944900970 /nfs/dbraw/zinc/90/09/70/944900970.db2.gz VZKBYUYKLVGWOW-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN C[C@]12CN(C(=O)c3nc[nH]n3)C[C@H]1C[N@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001571262342 945437780 /nfs/dbraw/zinc/43/77/80/945437780.db2.gz PSAKKNWJUZBTJE-HWPZZCPQSA-N 0 3 385.457 0.640 20 0 GCADHN C[C@]12CN(C(=O)c3nc[nH]n3)C[C@H]1C[N@@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001571262342 945437783 /nfs/dbraw/zinc/43/77/83/945437783.db2.gz PSAKKNWJUZBTJE-HWPZZCPQSA-N 0 3 385.457 0.640 20 0 GCADHN C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571264383 945481921 /nfs/dbraw/zinc/48/19/21/945481921.db2.gz NEBRLRMHOURALF-RHSMWYFYSA-N 0 3 385.472 0.135 20 0 GCADHN C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571264383 945481923 /nfs/dbraw/zinc/48/19/23/945481923.db2.gz NEBRLRMHOURALF-RHSMWYFYSA-N 0 3 385.472 0.135 20 0 GCADHN CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571264327 945482194 /nfs/dbraw/zinc/48/21/94/945482194.db2.gz LGEFRSNNQHTSPV-ULQDDVLXSA-N 0 3 385.472 0.324 20 0 GCADHN CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571264327 945482196 /nfs/dbraw/zinc/48/21/96/945482196.db2.gz LGEFRSNNQHTSPV-ULQDDVLXSA-N 0 3 385.472 0.324 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001571265485 945511361 /nfs/dbraw/zinc/51/13/61/945511361.db2.gz KWKWJKAMUIVLJL-CQSZACIVSA-N 0 3 385.476 0.346 20 0 GCADHN CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)[NH+](C)C ZINC001571265562 945513733 /nfs/dbraw/zinc/51/37/33/945513733.db2.gz ILWXKHUSXMLBNO-VNHYZAJKSA-N 0 3 385.476 0.567 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571265706 945518006 /nfs/dbraw/zinc/51/80/06/945518006.db2.gz IUERIZAZLWSDFD-ZFWWWQNUSA-N 0 3 385.476 0.567 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571265706 945518015 /nfs/dbraw/zinc/51/80/15/945518015.db2.gz IUERIZAZLWSDFD-ZFWWWQNUSA-N 0 3 385.476 0.567 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571265700 945518837 /nfs/dbraw/zinc/51/88/37/945518837.db2.gz IUERIZAZLWSDFD-DZGCQCFKSA-N 0 3 385.476 0.567 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571265700 945518845 /nfs/dbraw/zinc/51/88/45/945518845.db2.gz IUERIZAZLWSDFD-DZGCQCFKSA-N 0 3 385.476 0.567 20 0 GCADHN CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)[NH+](C)C ZINC001571265908 945523341 /nfs/dbraw/zinc/52/33/41/945523341.db2.gz KRZGKAPLUXPIDV-QLFBSQMISA-N 0 3 385.476 0.567 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265959 945525744 /nfs/dbraw/zinc/52/57/44/945525744.db2.gz LRZCMPCZQPSOOY-XJKSGUPXSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265959 945525749 /nfs/dbraw/zinc/52/57/49/945525749.db2.gz LRZCMPCZQPSOOY-XJKSGUPXSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265959 945525754 /nfs/dbraw/zinc/52/57/54/945525754.db2.gz LRZCMPCZQPSOOY-XJKSGUPXSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265959 945525759 /nfs/dbraw/zinc/52/57/59/945525759.db2.gz LRZCMPCZQPSOOY-XJKSGUPXSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(c1cn[nH]c1)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571268703 945602640 /nfs/dbraw/zinc/60/26/40/945602640.db2.gz XAHQLNMBZVFANC-CYBMUJFWSA-N 0 3 386.391 0.360 20 0 GCADHN O=C(c1cn[nH]c1)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571268703 945602647 /nfs/dbraw/zinc/60/26/47/945602647.db2.gz XAHQLNMBZVFANC-CYBMUJFWSA-N 0 3 386.391 0.360 20 0 GCADHN O=C(NC1CC(C[NH2+]C[C@H]2CCNC(=O)CC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571272694 945669562 /nfs/dbraw/zinc/66/95/62/945669562.db2.gz HQLCQQUISUMYGM-LKSINWNRSA-N 0 3 386.460 0.209 20 0 GCADHN O=C(NC1CC(C[NH2+]C[C@H]2CCNC(=O)CC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571272694 945669567 /nfs/dbraw/zinc/66/95/67/945669567.db2.gz HQLCQQUISUMYGM-LKSINWNRSA-N 0 3 386.460 0.209 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001571273081 945679059 /nfs/dbraw/zinc/67/90/59/945679059.db2.gz OPKYWWXFUQPYSM-YRGRVCCFSA-N 0 3 386.460 0.113 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+]1C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273142 945680269 /nfs/dbraw/zinc/68/02/69/945680269.db2.gz QFDUYMFIBVBUTN-STQMWFEESA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+]1C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273142 945680273 /nfs/dbraw/zinc/68/02/73/945680273.db2.gz QFDUYMFIBVBUTN-STQMWFEESA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+]1C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273142 945680278 /nfs/dbraw/zinc/68/02/78/945680278.db2.gz QFDUYMFIBVBUTN-STQMWFEESA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+]1C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273142 945680286 /nfs/dbraw/zinc/68/02/86/945680286.db2.gz QFDUYMFIBVBUTN-STQMWFEESA-N 0 3 386.460 0.305 20 0 GCADHN CN1CC[C@H]([NH2+]CC[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001571273232 945682458 /nfs/dbraw/zinc/68/24/58/945682458.db2.gz TUAQKNVTBSZORM-JSGCOSHPSA-N 0 3 386.460 0.257 20 0 GCADHN CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273276 945683830 /nfs/dbraw/zinc/68/38/30/945683830.db2.gz UNUONWAKDOOZNP-OLZOCXBDSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273276 945683837 /nfs/dbraw/zinc/68/38/37/945683837.db2.gz UNUONWAKDOOZNP-OLZOCXBDSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273276 945683849 /nfs/dbraw/zinc/68/38/49/945683849.db2.gz UNUONWAKDOOZNP-OLZOCXBDSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273276 945683859 /nfs/dbraw/zinc/68/38/59/945683859.db2.gz UNUONWAKDOOZNP-OLZOCXBDSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273277 945684117 /nfs/dbraw/zinc/68/41/17/945684117.db2.gz UNUONWAKDOOZNP-QWHCGFSZSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273277 945684124 /nfs/dbraw/zinc/68/41/24/945684124.db2.gz UNUONWAKDOOZNP-QWHCGFSZSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273277 945684128 /nfs/dbraw/zinc/68/41/28/945684128.db2.gz UNUONWAKDOOZNP-QWHCGFSZSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273277 945684132 /nfs/dbraw/zinc/68/41/32/945684132.db2.gz UNUONWAKDOOZNP-QWHCGFSZSA-N 0 3 386.460 0.210 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273360 945686302 /nfs/dbraw/zinc/68/63/02/945686302.db2.gz WDBKLTHTHOMBNX-OLZOCXBDSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273360 945686309 /nfs/dbraw/zinc/68/63/09/945686309.db2.gz WDBKLTHTHOMBNX-OLZOCXBDSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273360 945686315 /nfs/dbraw/zinc/68/63/15/945686315.db2.gz WDBKLTHTHOMBNX-OLZOCXBDSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273360 945686321 /nfs/dbraw/zinc/68/63/21/945686321.db2.gz WDBKLTHTHOMBNX-OLZOCXBDSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+](C[C@@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273327 945686783 /nfs/dbraw/zinc/68/67/83/945686783.db2.gz VNYRYUPQQDYESH-QWHCGFSZSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273327 945686789 /nfs/dbraw/zinc/68/67/89/945686789.db2.gz VNYRYUPQQDYESH-QWHCGFSZSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+](C[C@@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273327 945686792 /nfs/dbraw/zinc/68/67/92/945686792.db2.gz VNYRYUPQQDYESH-QWHCGFSZSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273327 945686797 /nfs/dbraw/zinc/68/67/97/945686797.db2.gz VNYRYUPQQDYESH-QWHCGFSZSA-N 0 3 386.460 0.257 20 0 GCADHN C[NH+]1CCC(OCC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571273502 945689755 /nfs/dbraw/zinc/68/97/55/945689755.db2.gz YPLSSPWENJHBBK-AWEZNQCLSA-N 0 3 386.460 0.385 20 0 GCADHN C[NH+]1CCC(OCC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571273502 945689757 /nfs/dbraw/zinc/68/97/57/945689757.db2.gz YPLSSPWENJHBBK-AWEZNQCLSA-N 0 3 386.460 0.385 20 0 GCADHN COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275706 945714176 /nfs/dbraw/zinc/71/41/76/945714176.db2.gz BDUJDSQKJSSCRB-GJZGRUSLSA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275706 945714185 /nfs/dbraw/zinc/71/41/85/945714185.db2.gz BDUJDSQKJSSCRB-GJZGRUSLSA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275706 945714196 /nfs/dbraw/zinc/71/41/96/945714196.db2.gz BDUJDSQKJSSCRB-GJZGRUSLSA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275706 945714202 /nfs/dbraw/zinc/71/42/02/945714202.db2.gz BDUJDSQKJSSCRB-GJZGRUSLSA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[C@@H]3C)CCO2)cc1-c1nnn[n-]1 ZINC001571277456 945743359 /nfs/dbraw/zinc/74/33/59/945743359.db2.gz KNKHCRVCZMRJKU-QEJZJMRPSA-N 0 3 386.456 0.848 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3C[C@@H]3C)CCO2)cc1-c1nn[n-]n1 ZINC001571277456 945743364 /nfs/dbraw/zinc/74/33/64/945743364.db2.gz KNKHCRVCZMRJKU-QEJZJMRPSA-N 0 3 386.456 0.848 20 0 GCADHN NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571277849 945746702 /nfs/dbraw/zinc/74/67/02/945746702.db2.gz UPRHFCQKFSSSSA-CYDGBPFRSA-N 0 3 387.419 0.254 20 0 GCADHN NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571277849 945746708 /nfs/dbraw/zinc/74/67/08/945746708.db2.gz UPRHFCQKFSSSSA-CYDGBPFRSA-N 0 3 387.419 0.254 20 0 GCADHN CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CC1=O ZINC001571277830 945747778 /nfs/dbraw/zinc/74/77/78/945747778.db2.gz UCBWJKYGYSBPCL-CHWSQXEVSA-N 0 3 387.419 0.175 20 0 GCADHN CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CC1=O ZINC001571277830 945747783 /nfs/dbraw/zinc/74/77/83/945747783.db2.gz UCBWJKYGYSBPCL-CHWSQXEVSA-N 0 3 387.419 0.175 20 0 GCADHN O=C([C@@H]1CCNC(=O)C1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571278332 945750235 /nfs/dbraw/zinc/75/02/35/945750235.db2.gz YAHYXIYEARDODS-CHWSQXEVSA-N 0 3 387.419 0.223 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571278358 945751995 /nfs/dbraw/zinc/75/19/95/945751995.db2.gz YMUYIVRKSBEXBY-AVGNSLFASA-N 0 3 387.419 0.411 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571278358 945752001 /nfs/dbraw/zinc/75/20/01/945752001.db2.gz YMUYIVRKSBEXBY-AVGNSLFASA-N 0 3 387.419 0.411 20 0 GCADHN CC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001571278911 945765909 /nfs/dbraw/zinc/76/59/09/945765909.db2.gz RCGVISRVKLKPLK-MRXNPFEDSA-N 0 3 386.456 0.753 20 0 GCADHN CC1([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001571278911 945765912 /nfs/dbraw/zinc/76/59/12/945765912.db2.gz RCGVISRVKLKPLK-MRXNPFEDSA-N 0 3 386.456 0.753 20 0 GCADHN O=C(CO[C@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571280006 945792605 /nfs/dbraw/zinc/79/26/05/945792605.db2.gz ZIBKNGDFLKODDR-SJORKVTESA-N 0 3 386.456 0.753 20 0 GCADHN O=C(CO[C@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571280006 945792612 /nfs/dbraw/zinc/79/26/12/945792612.db2.gz ZIBKNGDFLKODDR-SJORKVTESA-N 0 3 386.456 0.753 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573447442 945797854 /nfs/dbraw/zinc/79/78/54/945797854.db2.gz YQPSSRFCQLOBJO-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573449089 945814046 /nfs/dbraw/zinc/81/40/46/945814046.db2.gz ROEVAXSANMZCMG-MEDUHNTESA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573450561 945825683 /nfs/dbraw/zinc/82/56/83/945825683.db2.gz KLYYVTHIYFWZCS-DLBZAZTESA-N 0 3 384.419 0.843 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000821755181 945852020 /nfs/dbraw/zinc/85/20/20/945852020.db2.gz AFQLBFJTDYKKLH-UHFFFAOYSA-N 0 3 399.415 0.211 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[NH+](C)C ZINC001571283149 945875425 /nfs/dbraw/zinc/87/54/25/945875425.db2.gz ACNJVLKGDWKFKH-XJKSGUPXSA-N 0 3 387.492 0.893 20 0 GCADHN CC[C@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)[NH+](C)C ZINC001571283180 945880323 /nfs/dbraw/zinc/88/03/23/945880323.db2.gz AZPAQUHQOIRCEV-UKRRQHHQSA-N 0 3 387.492 0.672 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573455836 945886013 /nfs/dbraw/zinc/88/60/13/945886013.db2.gz GZWQYRXRFUFDGW-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573455836 945886017 /nfs/dbraw/zinc/88/60/17/945886017.db2.gz GZWQYRXRFUFDGW-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)[NH+](C)C ZINC001571284231 945896805 /nfs/dbraw/zinc/89/68/05/945896805.db2.gz NVOAHHVPPFOXNF-MRXNPFEDSA-N 0 3 387.492 0.893 20 0 GCADHN CCc1nc(N[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571284192 945897289 /nfs/dbraw/zinc/89/72/89/945897289.db2.gz MNASTFYIIOIWKM-LRDDRELGSA-N 0 3 387.492 0.818 20 0 GCADHN CCc1nc(N[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571284197 945897690 /nfs/dbraw/zinc/89/76/90/945897690.db2.gz MNASTFYIIOIWKM-WBMJQRKESA-N 0 3 387.492 0.818 20 0 GCADHN CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)n1 ZINC001571284417 945900610 /nfs/dbraw/zinc/90/06/10/945900610.db2.gz QERNXFNGAKWUSN-TZMCWYRMSA-N 0 3 387.492 0.596 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573460660 945917055 /nfs/dbraw/zinc/91/70/55/945917055.db2.gz LLZTWUIPRNJCBW-QWRGUYRKSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573462231 945933978 /nfs/dbraw/zinc/93/39/78/945933978.db2.gz DBCMZPBNJUKNNI-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573462231 945933989 /nfs/dbraw/zinc/93/39/89/945933989.db2.gz DBCMZPBNJUKNNI-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573462243 945935173 /nfs/dbraw/zinc/93/51/73/945935173.db2.gz DJOJXSDVMKICAP-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573462243 945935185 /nfs/dbraw/zinc/93/51/85/945935185.db2.gz DJOJXSDVMKICAP-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN O=C(C1=COCCO1)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001571286088 945937510 /nfs/dbraw/zinc/93/75/10/945937510.db2.gz XIJQFQXPKXTWSB-UHFFFAOYSA-N 0 3 388.403 0.975 20 0 GCADHN O=C(C1=COCCO1)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001571286088 945937526 /nfs/dbraw/zinc/93/75/26/945937526.db2.gz XIJQFQXPKXTWSB-UHFFFAOYSA-N 0 3 388.403 0.975 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573463350 945953442 /nfs/dbraw/zinc/95/34/42/945953442.db2.gz VLDOPIXWBZRMRV-MRXNPFEDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573463350 945953446 /nfs/dbraw/zinc/95/34/46/945953446.db2.gz VLDOPIXWBZRMRV-MRXNPFEDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573464206 945964060 /nfs/dbraw/zinc/96/40/60/945964060.db2.gz HTJRMCMBZOBNMT-BETUJISGSA-N 0 3 389.435 0.657 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573464206 945964071 /nfs/dbraw/zinc/96/40/71/945964071.db2.gz HTJRMCMBZOBNMT-BETUJISGSA-N 0 3 389.435 0.657 20 0 GCADHN CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1F)[NH+](C)C ZINC001571287188 945968052 /nfs/dbraw/zinc/96/80/52/945968052.db2.gz ADOIUZCBEZLYNI-KCQAQPDRSA-N 0 3 388.451 0.777 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573465502 945975030 /nfs/dbraw/zinc/97/50/30/945975030.db2.gz ZWBWHLWTILMZOT-NSHDSACASA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573467769 945983739 /nfs/dbraw/zinc/98/37/39/945983739.db2.gz HLCDSSFGDWQKMF-GFCCVEGCSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573467769 945983748 /nfs/dbraw/zinc/98/37/48/945983748.db2.gz HLCDSSFGDWQKMF-GFCCVEGCSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573468057 945988098 /nfs/dbraw/zinc/98/80/98/945988098.db2.gz KPMJLUGBRKJKNK-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573468055 945989427 /nfs/dbraw/zinc/98/94/27/945989427.db2.gz KPMJLUGBRKJKNK-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573468246 945993165 /nfs/dbraw/zinc/99/31/65/945993165.db2.gz MAGXLZGXHOVKSW-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573468246 945993172 /nfs/dbraw/zinc/99/31/72/945993172.db2.gz MAGXLZGXHOVKSW-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573468919 946001516 /nfs/dbraw/zinc/00/15/16/946001516.db2.gz RNESMLKPPJTFRR-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573468919 946001529 /nfs/dbraw/zinc/00/15/29/946001529.db2.gz RNESMLKPPJTFRR-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573469447 946007836 /nfs/dbraw/zinc/00/78/36/946007836.db2.gz WEIPFJUJTVAGME-FNBIGBAISA-N 0 3 389.435 0.609 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573469447 946007844 /nfs/dbraw/zinc/00/78/44/946007844.db2.gz WEIPFJUJTVAGME-FNBIGBAISA-N 0 3 389.435 0.609 20 0 GCADHN COc1cc(C[NH2+]CC2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)sn1 ZINC001571289575 946012751 /nfs/dbraw/zinc/01/27/51/946012751.db2.gz HZPKIGNCCHXWNE-UHFFFAOYSA-N 0 3 388.457 0.958 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470308 946018704 /nfs/dbraw/zinc/01/87/04/946018704.db2.gz CNWKZETWFRMYMX-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573470308 946018714 /nfs/dbraw/zinc/01/87/14/946018714.db2.gz CNWKZETWFRMYMX-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573470692 946034444 /nfs/dbraw/zinc/03/44/44/946034444.db2.gz ISSSFYUNEVOQJI-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573470692 946034455 /nfs/dbraw/zinc/03/44/55/946034455.db2.gz ISSSFYUNEVOQJI-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573470690 946034668 /nfs/dbraw/zinc/03/46/68/946034668.db2.gz ISSSFYUNEVOQJI-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573470690 946034680 /nfs/dbraw/zinc/03/46/80/946034680.db2.gz ISSSFYUNEVOQJI-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573470910 946039433 /nfs/dbraw/zinc/03/94/33/946039433.db2.gz KYZLVSKNXZPRTP-BXUZGUMPSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573470910 946039444 /nfs/dbraw/zinc/03/94/44/946039444.db2.gz KYZLVSKNXZPRTP-BXUZGUMPSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573471155 946041876 /nfs/dbraw/zinc/04/18/76/946041876.db2.gz MTIQOKFGNYVBKD-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573471155 946041887 /nfs/dbraw/zinc/04/18/87/946041887.db2.gz MTIQOKFGNYVBKD-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573471381 946049341 /nfs/dbraw/zinc/04/93/41/946049341.db2.gz OJBHUUJIPMSMCA-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573471381 946049353 /nfs/dbraw/zinc/04/93/53/946049353.db2.gz OJBHUUJIPMSMCA-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573471380 946050922 /nfs/dbraw/zinc/05/09/22/946050922.db2.gz OJBHUUJIPMSMCA-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573471380 946050935 /nfs/dbraw/zinc/05/09/35/946050935.db2.gz OJBHUUJIPMSMCA-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472191 946060707 /nfs/dbraw/zinc/06/07/07/946060707.db2.gz UNTCGXDOJKYRRH-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472191 946060719 /nfs/dbraw/zinc/06/07/19/946060719.db2.gz UNTCGXDOJKYRRH-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472672 946067981 /nfs/dbraw/zinc/06/79/81/946067981.db2.gz XEZNCJICBGLPCX-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472672 946067994 /nfs/dbraw/zinc/06/79/94/946067994.db2.gz XEZNCJICBGLPCX-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472672 946068006 /nfs/dbraw/zinc/06/80/06/946068006.db2.gz XEZNCJICBGLPCX-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472672 946068020 /nfs/dbraw/zinc/06/80/20/946068020.db2.gz XEZNCJICBGLPCX-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573472960 946073008 /nfs/dbraw/zinc/07/30/08/946073008.db2.gz YKHYCBZLHNFETK-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573472960 946073020 /nfs/dbraw/zinc/07/30/20/946073020.db2.gz YKHYCBZLHNFETK-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573473862 946083436 /nfs/dbraw/zinc/08/34/36/946083436.db2.gz GBRHUEIQENLKEU-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573473862 946083447 /nfs/dbraw/zinc/08/34/47/946083447.db2.gz GBRHUEIQENLKEU-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001573474785 946094144 /nfs/dbraw/zinc/09/41/44/946094144.db2.gz NGEUQQNVAASUQX-JLZZUVOBSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001573474785 946094154 /nfs/dbraw/zinc/09/41/54/946094154.db2.gz NGEUQQNVAASUQX-JLZZUVOBSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C1 ZINC001573474785 946094167 /nfs/dbraw/zinc/09/41/67/946094167.db2.gz NGEUQQNVAASUQX-JLZZUVOBSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C1 ZINC001573474785 946094179 /nfs/dbraw/zinc/09/41/79/946094179.db2.gz NGEUQQNVAASUQX-JLZZUVOBSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573475131 946099108 /nfs/dbraw/zinc/09/91/08/946099108.db2.gz PUSOXACXFDIIJA-OHUAYANFSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573475131 946099117 /nfs/dbraw/zinc/09/91/17/946099117.db2.gz PUSOXACXFDIIJA-OHUAYANFSA-N 0 3 389.435 0.467 20 0 GCADHN CN1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571293286 946101725 /nfs/dbraw/zinc/10/17/25/946101725.db2.gz DHRJUDSECIINTN-BBRMVZONSA-N 0 3 389.435 0.027 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1(C)CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573475995 946109799 /nfs/dbraw/zinc/10/97/99/946109799.db2.gz BWPKLFYUHARWMF-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1(C)CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573475995 946109802 /nfs/dbraw/zinc/10/98/02/946109802.db2.gz BWPKLFYUHARWMF-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN Cc1sc(NC(=O)CN2CCC([N@H+](C)CCO)CC2)c(-c2nnn[n-]2)c1C ZINC000822556881 946122746 /nfs/dbraw/zinc/12/27/46/946122746.db2.gz CZRIYSKNKNDXBD-UHFFFAOYSA-N 0 3 393.517 0.872 20 0 GCADHN Cc1sc(NC(=O)CN2CCC([N@@H+](C)CCO)CC2)c(-c2nnn[n-]2)c1C ZINC000822556881 946122752 /nfs/dbraw/zinc/12/27/52/946122752.db2.gz CZRIYSKNKNDXBD-UHFFFAOYSA-N 0 3 393.517 0.872 20 0 GCADHN Cc1sc(NC(=O)CN2CCC([N@H+](C)CCO)CC2)c(-c2nn[n-]n2)c1C ZINC000822556881 946122758 /nfs/dbraw/zinc/12/27/58/946122758.db2.gz CZRIYSKNKNDXBD-UHFFFAOYSA-N 0 3 393.517 0.872 20 0 GCADHN Cc1sc(NC(=O)CN2CCC([N@@H+](C)CCO)CC2)c(-c2nn[n-]n2)c1C ZINC000822556881 946122765 /nfs/dbraw/zinc/12/27/65/946122765.db2.gz CZRIYSKNKNDXBD-UHFFFAOYSA-N 0 3 393.517 0.872 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573477037 946128591 /nfs/dbraw/zinc/12/85/91/946128591.db2.gz LOACNRMEBOTHOW-GHMZBOCLSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573477037 946128595 /nfs/dbraw/zinc/12/85/95/946128595.db2.gz LOACNRMEBOTHOW-GHMZBOCLSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477097 946129587 /nfs/dbraw/zinc/12/95/87/946129587.db2.gz MRQIEIMZNCECLJ-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477097 946129593 /nfs/dbraw/zinc/12/95/93/946129593.db2.gz MRQIEIMZNCECLJ-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC[C@H](C(=O)N1CCCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[NH+](C)C ZINC001571295045 946152553 /nfs/dbraw/zinc/15/25/53/946152553.db2.gz NWJWLQDEEGDXGO-TZMCWYRMSA-N 0 3 389.464 0.026 20 0 GCADHN Cn1cc(C[C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822673875 946153214 /nfs/dbraw/zinc/15/32/14/946153214.db2.gz FHDIGRORWLWFLH-WMLDXEAASA-N 0 3 383.456 0.905 20 0 GCADHN Cn1cc(C[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822673875 946153223 /nfs/dbraw/zinc/15/32/23/946153223.db2.gz FHDIGRORWLWFLH-WMLDXEAASA-N 0 3 383.456 0.905 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573479403 946158767 /nfs/dbraw/zinc/15/87/67/946158767.db2.gz CMRKQAKCMVDQRW-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573479403 946158772 /nfs/dbraw/zinc/15/87/72/946158772.db2.gz CMRKQAKCMVDQRW-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573479615 946165552 /nfs/dbraw/zinc/16/55/52/946165552.db2.gz GDACJFGIXKGRNA-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573479617 946166152 /nfs/dbraw/zinc/16/61/52/946166152.db2.gz GDACJFGIXKGRNA-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573479804 946167459 /nfs/dbraw/zinc/16/74/59/946167459.db2.gz HOZWUBWRULUOOS-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573479804 946167463 /nfs/dbraw/zinc/16/74/63/946167463.db2.gz HOZWUBWRULUOOS-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573479805 946167840 /nfs/dbraw/zinc/16/78/40/946167840.db2.gz HOZWUBWRULUOOS-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573479805 946167846 /nfs/dbraw/zinc/16/78/46/946167846.db2.gz HOZWUBWRULUOOS-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN O=C([C@@H]1COCCO1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571295797 946174631 /nfs/dbraw/zinc/17/46/31/946174631.db2.gz GGDIMCUMWNKARG-WBMJQRKESA-N 0 3 390.419 0.359 20 0 GCADHN O=C([C@@H]1COCCO1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571295797 946174637 /nfs/dbraw/zinc/17/46/37/946174637.db2.gz GGDIMCUMWNKARG-WBMJQRKESA-N 0 3 390.419 0.359 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573480656 946175705 /nfs/dbraw/zinc/17/57/05/946175705.db2.gz LTWGCOAGDKOCNZ-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573480656 946175709 /nfs/dbraw/zinc/17/57/09/946175709.db2.gz LTWGCOAGDKOCNZ-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573480664 946175740 /nfs/dbraw/zinc/17/57/40/946175740.db2.gz LTWGCOAGDKOCNZ-ZBEGNZNMSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573480664 946175744 /nfs/dbraw/zinc/17/57/44/946175744.db2.gz LTWGCOAGDKOCNZ-ZBEGNZNMSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573481052 946179080 /nfs/dbraw/zinc/17/90/80/946179080.db2.gz NQLWDWMANYXWBG-QLJPJBMISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573481052 946179092 /nfs/dbraw/zinc/17/90/92/946179092.db2.gz NQLWDWMANYXWBG-QLJPJBMISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573482853 946203381 /nfs/dbraw/zinc/20/33/81/946203381.db2.gz AUWPHPFYJIAFLT-CSMYWGQOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573482853 946203388 /nfs/dbraw/zinc/20/33/88/946203388.db2.gz AUWPHPFYJIAFLT-CSMYWGQOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573483388 946210012 /nfs/dbraw/zinc/21/00/12/946210012.db2.gz FQQGLNHRNDQTKW-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573483388 946210020 /nfs/dbraw/zinc/21/00/20/946210020.db2.gz FQQGLNHRNDQTKW-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573484964 946221152 /nfs/dbraw/zinc/22/11/52/946221152.db2.gz OKOODEUQUDWOCV-CSMYWGQOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573484964 946221164 /nfs/dbraw/zinc/22/11/64/946221164.db2.gz OKOODEUQUDWOCV-CSMYWGQOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573486674 946244301 /nfs/dbraw/zinc/24/43/01/946244301.db2.gz IGNFLGLDTGHWHG-OWYVNGRQSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573486674 946244311 /nfs/dbraw/zinc/24/43/11/946244311.db2.gz IGNFLGLDTGHWHG-OWYVNGRQSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)NC1(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573489003 946281965 /nfs/dbraw/zinc/28/19/65/946281965.db2.gz UCDNYCVVLUBROB-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573497091 946340260 /nfs/dbraw/zinc/34/02/60/946340260.db2.gz KOFMXIWAUJJZJN-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573497091 946340271 /nfs/dbraw/zinc/34/02/71/946340271.db2.gz KOFMXIWAUJJZJN-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573498898 946363411 /nfs/dbraw/zinc/36/34/11/946363411.db2.gz AJUOUCCRQIFCPD-ABAIWWIYSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573498898 946363423 /nfs/dbraw/zinc/36/34/23/946363423.db2.gz AJUOUCCRQIFCPD-ABAIWWIYSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573499812 946369045 /nfs/dbraw/zinc/36/90/45/946369045.db2.gz GJGNZNWRPZXXNF-UHFFFAOYSA-N 0 3 391.451 0.716 20 0 GCADHN CC(=O)NCC(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573499812 946369059 /nfs/dbraw/zinc/36/90/59/946369059.db2.gz GJGNZNWRPZXXNF-UHFFFAOYSA-N 0 3 391.451 0.716 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573500476 946375509 /nfs/dbraw/zinc/37/55/09/946375509.db2.gz KJBXPRMKMPCGNJ-HNNXBMFYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573500476 946375516 /nfs/dbraw/zinc/37/55/16/946375516.db2.gz KJBXPRMKMPCGNJ-HNNXBMFYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573500930 946377675 /nfs/dbraw/zinc/37/76/75/946377675.db2.gz LSQRIQBCBFDLTA-XHDPSFHLSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573500930 946377683 /nfs/dbraw/zinc/37/76/83/946377683.db2.gz LSQRIQBCBFDLTA-XHDPSFHLSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573504208 946408383 /nfs/dbraw/zinc/40/83/83/946408383.db2.gz HINDRZAZMHAQJO-BDJLRTHQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573504208 946408389 /nfs/dbraw/zinc/40/83/89/946408389.db2.gz HINDRZAZMHAQJO-BDJLRTHQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573504842 946415782 /nfs/dbraw/zinc/41/57/82/946415782.db2.gz LMKIMPMWNUODTJ-SFHVURJKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573504842 946415789 /nfs/dbraw/zinc/41/57/89/946415789.db2.gz LMKIMPMWNUODTJ-SFHVURJKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573505995 946427810 /nfs/dbraw/zinc/42/78/10/946427810.db2.gz NGYVDLNOZHINRO-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573505995 946427814 /nfs/dbraw/zinc/42/78/14/946427814.db2.gz NGYVDLNOZHINRO-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573505995 946427820 /nfs/dbraw/zinc/42/78/20/946427820.db2.gz NGYVDLNOZHINRO-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573505995 946427825 /nfs/dbraw/zinc/42/78/25/946427825.db2.gz NGYVDLNOZHINRO-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573506296 946430771 /nfs/dbraw/zinc/43/07/71/946430771.db2.gz QIVUXSCDFGVJLI-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573506296 946430779 /nfs/dbraw/zinc/43/07/79/946430779.db2.gz QIVUXSCDFGVJLI-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573506682 946434544 /nfs/dbraw/zinc/43/45/44/946434544.db2.gz RIRRCZCFOJBGQT-CQSZACIVSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573506682 946434551 /nfs/dbraw/zinc/43/45/51/946434551.db2.gz RIRRCZCFOJBGQT-CQSZACIVSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573506736 946436940 /nfs/dbraw/zinc/43/69/40/946436940.db2.gz SXIUEBINHGIEEH-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573506736 946436946 /nfs/dbraw/zinc/43/69/46/946436946.db2.gz SXIUEBINHGIEEH-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573506736 946436949 /nfs/dbraw/zinc/43/69/49/946436949.db2.gz SXIUEBINHGIEEH-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573506736 946436956 /nfs/dbraw/zinc/43/69/56/946436956.db2.gz SXIUEBINHGIEEH-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573506737 946437041 /nfs/dbraw/zinc/43/70/41/946437041.db2.gz SXIUEBINHGIEEH-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573506737 946437048 /nfs/dbraw/zinc/43/70/48/946437048.db2.gz SXIUEBINHGIEEH-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573506737 946437055 /nfs/dbraw/zinc/43/70/55/946437055.db2.gz SXIUEBINHGIEEH-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573506737 946437060 /nfs/dbraw/zinc/43/70/60/946437060.db2.gz SXIUEBINHGIEEH-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1C ZINC001573507191 946443139 /nfs/dbraw/zinc/44/31/39/946443139.db2.gz XEPAAMVXQVSGOR-BMIGLBTASA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@H]1C ZINC001573507191 946443147 /nfs/dbraw/zinc/44/31/47/946443147.db2.gz XEPAAMVXQVSGOR-BMIGLBTASA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573507121 946443722 /nfs/dbraw/zinc/44/37/22/946443722.db2.gz WTWBCNTXVKOTFT-UHFFFAOYSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573507121 946443726 /nfs/dbraw/zinc/44/37/26/946443726.db2.gz WTWBCNTXVKOTFT-UHFFFAOYSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001573507200 946443879 /nfs/dbraw/zinc/44/38/79/946443879.db2.gz XEPAAMVXQVSGOR-ZUZCIYMTSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001573507200 946443884 /nfs/dbraw/zinc/44/38/84/946443884.db2.gz XEPAAMVXQVSGOR-ZUZCIYMTSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573507255 946445400 /nfs/dbraw/zinc/44/54/00/946445400.db2.gz WCEWARVTRAHWQO-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573507255 946445411 /nfs/dbraw/zinc/44/54/11/946445411.db2.gz WCEWARVTRAHWQO-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573507255 946445417 /nfs/dbraw/zinc/44/54/17/946445417.db2.gz WCEWARVTRAHWQO-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573507255 946445425 /nfs/dbraw/zinc/44/54/25/946445425.db2.gz WCEWARVTRAHWQO-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573507602 946447160 /nfs/dbraw/zinc/44/71/60/946447160.db2.gz ZSAIMSQOALPJOP-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573507602 946447173 /nfs/dbraw/zinc/44/71/73/946447173.db2.gz ZSAIMSQOALPJOP-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573507703 946449681 /nfs/dbraw/zinc/44/96/81/946449681.db2.gz WZFJVMAZZYCICG-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573507703 946449689 /nfs/dbraw/zinc/44/96/89/946449689.db2.gz WZFJVMAZZYCICG-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573509379 946462873 /nfs/dbraw/zinc/46/28/73/946462873.db2.gz LBRSWXMMDWFMRU-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573509379 946462879 /nfs/dbraw/zinc/46/28/79/946462879.db2.gz LBRSWXMMDWFMRU-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573509597 946464702 /nfs/dbraw/zinc/46/47/02/946464702.db2.gz OOSHNRQLFFYYDB-INIZCTEOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573509597 946464706 /nfs/dbraw/zinc/46/47/06/946464706.db2.gz OOSHNRQLFFYYDB-INIZCTEOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573509597 946464710 /nfs/dbraw/zinc/46/47/10/946464710.db2.gz OOSHNRQLFFYYDB-INIZCTEOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573509597 946464716 /nfs/dbraw/zinc/46/47/16/946464716.db2.gz OOSHNRQLFFYYDB-INIZCTEOSA-N 0 3 385.472 0.816 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001571310264 946465801 /nfs/dbraw/zinc/46/58/01/946465801.db2.gz ZZZQJLSJGICNRZ-OAHLLOKOSA-N 0 3 392.423 0.365 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC001571310264 946465808 /nfs/dbraw/zinc/46/58/08/946465808.db2.gz ZZZQJLSJGICNRZ-OAHLLOKOSA-N 0 3 392.423 0.365 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573510058 946469376 /nfs/dbraw/zinc/46/93/76/946469376.db2.gz XBTODNPPMJLYPY-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573510058 946469385 /nfs/dbraw/zinc/46/93/85/946469385.db2.gz XBTODNPPMJLYPY-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573511588 946487588 /nfs/dbraw/zinc/48/75/88/946487588.db2.gz BTNDDUZAYLVCEP-ZBFHGGJFSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573511588 946487596 /nfs/dbraw/zinc/48/75/96/946487596.db2.gz BTNDDUZAYLVCEP-ZBFHGGJFSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573511961 946490977 /nfs/dbraw/zinc/49/09/77/946490977.db2.gz CJXZORMAIBCJCD-CJNGLKHVSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573511961 946490981 /nfs/dbraw/zinc/49/09/81/946490981.db2.gz CJXZORMAIBCJCD-CJNGLKHVSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573511960 946491148 /nfs/dbraw/zinc/49/11/48/946491148.db2.gz CJXZORMAIBCJCD-BBRMVZONSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573511960 946491155 /nfs/dbraw/zinc/49/11/55/946491155.db2.gz CJXZORMAIBCJCD-BBRMVZONSA-N 0 3 389.435 0.516 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571312514 946493071 /nfs/dbraw/zinc/49/30/71/946493071.db2.gz GMUXTDRIGWCSEM-GASCZTMLSA-N 0 3 392.423 0.154 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571312514 946493082 /nfs/dbraw/zinc/49/30/82/946493082.db2.gz GMUXTDRIGWCSEM-GASCZTMLSA-N 0 3 392.423 0.154 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571312514 946493093 /nfs/dbraw/zinc/49/30/93/946493093.db2.gz GMUXTDRIGWCSEM-GASCZTMLSA-N 0 3 392.423 0.154 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571312514 946493105 /nfs/dbraw/zinc/49/31/05/946493105.db2.gz GMUXTDRIGWCSEM-GASCZTMLSA-N 0 3 392.423 0.154 20 0 GCADHN CC(=O)NCC(=O)NC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573512473 946499654 /nfs/dbraw/zinc/49/96/54/946499654.db2.gz GLVPANYUPDBBPB-UHFFFAOYSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573512473 946499661 /nfs/dbraw/zinc/49/96/61/946499661.db2.gz GLVPANYUPDBBPB-UHFFFAOYSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C12CCC2 ZINC001573512889 946504706 /nfs/dbraw/zinc/50/47/06/946504706.db2.gz JEDLXOXRCHGGSE-HOTGVXAUSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C12CCC2 ZINC001573512889 946504717 /nfs/dbraw/zinc/50/47/17/946504717.db2.gz JEDLXOXRCHGGSE-HOTGVXAUSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573513724 946514899 /nfs/dbraw/zinc/51/48/99/946514899.db2.gz POHFPCUMKRZZEQ-WBVHZDCISA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573513724 946514909 /nfs/dbraw/zinc/51/49/09/946514909.db2.gz POHFPCUMKRZZEQ-WBVHZDCISA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573513953 946518078 /nfs/dbraw/zinc/51/80/78/946518078.db2.gz RVWLZOONVKZJFO-DOMZBBRYSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573513953 946518085 /nfs/dbraw/zinc/51/80/85/946518085.db2.gz RVWLZOONVKZJFO-DOMZBBRYSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573513954 946518273 /nfs/dbraw/zinc/51/82/73/946518273.db2.gz RVWLZOONVKZJFO-IUODEOHRSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573513954 946518278 /nfs/dbraw/zinc/51/82/78/946518278.db2.gz RVWLZOONVKZJFO-IUODEOHRSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573513956 946519003 /nfs/dbraw/zinc/51/90/03/946519003.db2.gz RVWLZOONVKZJFO-WFASDCNBSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573513956 946519016 /nfs/dbraw/zinc/51/90/16/946519016.db2.gz RVWLZOONVKZJFO-WFASDCNBSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573514228 946522284 /nfs/dbraw/zinc/52/22/84/946522284.db2.gz VPINNFBXXZBMST-MRXNPFEDSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573514228 946522289 /nfs/dbraw/zinc/52/22/89/946522289.db2.gz VPINNFBXXZBMST-MRXNPFEDSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573514328 946525294 /nfs/dbraw/zinc/52/52/94/946525294.db2.gz XFXIZOKTGMKZBF-MRXNPFEDSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573514328 946525308 /nfs/dbraw/zinc/52/53/08/946525308.db2.gz XFXIZOKTGMKZBF-MRXNPFEDSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573514287 946525824 /nfs/dbraw/zinc/52/58/24/946525824.db2.gz WSHNPNJBXGGJSW-BLLLJJGKSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573514287 946525834 /nfs/dbraw/zinc/52/58/34/946525834.db2.gz WSHNPNJBXGGJSW-BLLLJJGKSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573514571 946530231 /nfs/dbraw/zinc/53/02/31/946530231.db2.gz AELBNMAOOBFKTG-HNNXBMFYSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573514571 946530243 /nfs/dbraw/zinc/53/02/43/946530243.db2.gz AELBNMAOOBFKTG-HNNXBMFYSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573514557 946530707 /nfs/dbraw/zinc/53/07/07/946530707.db2.gz ZWVZHGGVORKVNE-JSGCOSHPSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573514557 946530709 /nfs/dbraw/zinc/53/07/09/946530709.db2.gz ZWVZHGGVORKVNE-JSGCOSHPSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573514537 946530794 /nfs/dbraw/zinc/53/07/94/946530794.db2.gz ZQJWJKKCPYLCDK-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573514537 946530800 /nfs/dbraw/zinc/53/08/00/946530800.db2.gz ZQJWJKKCPYLCDK-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573514537 946530805 /nfs/dbraw/zinc/53/08/05/946530805.db2.gz ZQJWJKKCPYLCDK-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573514537 946530810 /nfs/dbraw/zinc/53/08/10/946530810.db2.gz ZQJWJKKCPYLCDK-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573515398 946542641 /nfs/dbraw/zinc/54/26/41/946542641.db2.gz LXYVJCNLNUFNAW-OAHLLOKOSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573515398 946542651 /nfs/dbraw/zinc/54/26/51/946542651.db2.gz LXYVJCNLNUFNAW-OAHLLOKOSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)CC1(C)C ZINC001573515457 946545189 /nfs/dbraw/zinc/54/51/89/946545189.db2.gz MPJKPVWDVZVNQC-MRXNPFEDSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)CC1(C)C ZINC001573515457 946545196 /nfs/dbraw/zinc/54/51/96/946545196.db2.gz MPJKPVWDVZVNQC-MRXNPFEDSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)CC1(C)C ZINC001573515457 946545201 /nfs/dbraw/zinc/54/52/01/946545201.db2.gz MPJKPVWDVZVNQC-MRXNPFEDSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)CC1(C)C ZINC001573515457 946545211 /nfs/dbraw/zinc/54/52/11/946545211.db2.gz MPJKPVWDVZVNQC-MRXNPFEDSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H](C)C1 ZINC001573515970 946553635 /nfs/dbraw/zinc/55/36/35/946553635.db2.gz UHROGWIUJHZDCP-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H](C)C1 ZINC001573515970 946553641 /nfs/dbraw/zinc/55/36/41/946553641.db2.gz UHROGWIUJHZDCP-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573517224 946567973 /nfs/dbraw/zinc/56/79/73/946567973.db2.gz FJCHOTJHFJDHFN-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573517224 946567979 /nfs/dbraw/zinc/56/79/79/946567979.db2.gz FJCHOTJHFJDHFN-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573520581 946597351 /nfs/dbraw/zinc/59/73/51/946597351.db2.gz LCGCEBSBPDVLES-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573520581 946597358 /nfs/dbraw/zinc/59/73/58/946597358.db2.gz LCGCEBSBPDVLES-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573520581 946597366 /nfs/dbraw/zinc/59/73/66/946597366.db2.gz LCGCEBSBPDVLES-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573520581 946597373 /nfs/dbraw/zinc/59/73/73/946597373.db2.gz LCGCEBSBPDVLES-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573527926 946650266 /nfs/dbraw/zinc/65/02/66/946650266.db2.gz LYKDNCAZAWKWBQ-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573527926 946650274 /nfs/dbraw/zinc/65/02/74/946650274.db2.gz LYKDNCAZAWKWBQ-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573535695 946724616 /nfs/dbraw/zinc/72/46/16/946724616.db2.gz GPRKWEHOIKLUOB-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573535695 946724625 /nfs/dbraw/zinc/72/46/25/946724625.db2.gz GPRKWEHOIKLUOB-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)C(C)C ZINC001573536625 946737278 /nfs/dbraw/zinc/73/72/78/946737278.db2.gz ZPRAOHXWBMVBFX-BFYDXBDKSA-N 0 3 385.472 0.764 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)C(C)C ZINC001573536625 946737289 /nfs/dbraw/zinc/73/72/89/946737289.db2.gz ZPRAOHXWBMVBFX-BFYDXBDKSA-N 0 3 385.472 0.764 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001573536801 946740331 /nfs/dbraw/zinc/74/03/31/946740331.db2.gz FETKYJZVEWVABU-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001573536801 946740334 /nfs/dbraw/zinc/74/03/34/946740334.db2.gz FETKYJZVEWVABU-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537391 946746558 /nfs/dbraw/zinc/74/65/58/946746558.db2.gz MWLFTZVLSHDRDH-DOTOQJQBSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537391 946746565 /nfs/dbraw/zinc/74/65/65/946746565.db2.gz MWLFTZVLSHDRDH-DOTOQJQBSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573538045 946762841 /nfs/dbraw/zinc/76/28/41/946762841.db2.gz UQYHZQJNYRMTCQ-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001573538045 946762849 /nfs/dbraw/zinc/76/28/49/946762849.db2.gz UQYHZQJNYRMTCQ-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN C[C@@H](C(=O)N(C)C)[NH+]1CCC(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573592534 947339570 /nfs/dbraw/zinc/33/95/70/947339570.db2.gz DOYTUJAZUYLNMZ-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC001573594654 947404385 /nfs/dbraw/zinc/40/43/85/947404385.db2.gz BVPOQGCLAHFUNU-XJKSGUPXSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC001573594654 947404390 /nfs/dbraw/zinc/40/43/90/947404390.db2.gz BVPOQGCLAHFUNU-XJKSGUPXSA-N 0 3 384.444 0.233 20 0 GCADHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826028817 947409873 /nfs/dbraw/zinc/40/98/73/947409873.db2.gz ILBSLUANPPHRJA-LSDHHAIUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826028817 947409885 /nfs/dbraw/zinc/40/98/85/947409885.db2.gz ILBSLUANPPHRJA-LSDHHAIUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826028817 947409897 /nfs/dbraw/zinc/40/98/97/947409897.db2.gz ILBSLUANPPHRJA-LSDHHAIUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826028817 947409907 /nfs/dbraw/zinc/40/99/07/947409907.db2.gz ILBSLUANPPHRJA-LSDHHAIUSA-N 0 3 385.476 0.799 20 0 GCADHN C[C@H](C(=O)N(C)C)[N@H+](C)CC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573594988 947412873 /nfs/dbraw/zinc/41/28/73/947412873.db2.gz VYUNUEBUVSMCRR-GFCCVEGCSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@H](C(=O)N(C)C)[N@@H+](C)CC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573594988 947412879 /nfs/dbraw/zinc/41/28/79/947412879.db2.gz VYUNUEBUVSMCRR-GFCCVEGCSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573595178 947418065 /nfs/dbraw/zinc/41/80/65/947418065.db2.gz GCLIXMKXSXMZQC-ABAIWWIYSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573595178 947418072 /nfs/dbraw/zinc/41/80/72/947418072.db2.gz GCLIXMKXSXMZQC-ABAIWWIYSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC001573595704 947424861 /nfs/dbraw/zinc/42/48/61/947424861.db2.gz HIXKJDHUJSPYTA-ZWNOBZJWSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC001573595704 947424866 /nfs/dbraw/zinc/42/48/66/947424866.db2.gz HIXKJDHUJSPYTA-ZWNOBZJWSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573598985 947447631 /nfs/dbraw/zinc/44/76/31/947447631.db2.gz SVNBYJLFLJRCSA-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573598985 947447637 /nfs/dbraw/zinc/44/76/37/947447637.db2.gz SVNBYJLFLJRCSA-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573598985 947447644 /nfs/dbraw/zinc/44/76/44/947447644.db2.gz SVNBYJLFLJRCSA-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573598985 947447651 /nfs/dbraw/zinc/44/76/51/947447651.db2.gz SVNBYJLFLJRCSA-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573599398 947455503 /nfs/dbraw/zinc/45/55/03/947455503.db2.gz XRSRLKNJAIEGEK-SMDDNHRTSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCCC1 ZINC001573604368 947508224 /nfs/dbraw/zinc/50/82/24/947508224.db2.gz SOJCSLNAASQSTG-CQSZACIVSA-N 0 3 387.492 0.816 20 0 GCADHN Cc1ccnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)c1-c1nn[nH]n1 ZINC000826310587 947897365 /nfs/dbraw/zinc/89/73/65/947897365.db2.gz ANBNMFCVQRAHLC-INIZCTEOSA-N 0 3 386.504 0.801 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1C ZINC001573388090 947914948 /nfs/dbraw/zinc/91/49/48/947914948.db2.gz HUOPYFAWQWCLAI-RISCZKNCSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573388727 947922254 /nfs/dbraw/zinc/92/22/54/947922254.db2.gz OGOXBIHSXSATIA-KRWDZBQOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573388727 947922257 /nfs/dbraw/zinc/92/22/57/947922257.db2.gz OGOXBIHSXSATIA-KRWDZBQOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573388997 947922323 /nfs/dbraw/zinc/92/23/23/947922323.db2.gz OWCLVISTTJMNEP-CZUORRHYSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573388997 947922326 /nfs/dbraw/zinc/92/23/26/947922326.db2.gz OWCLVISTTJMNEP-CZUORRHYSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573389132 947924538 /nfs/dbraw/zinc/92/45/38/947924538.db2.gz QRCBVFUFNVVXSL-BDJLRTHQSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573389132 947924541 /nfs/dbraw/zinc/92/45/41/947924541.db2.gz QRCBVFUFNVVXSL-BDJLRTHQSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573389529 947925512 /nfs/dbraw/zinc/92/55/12/947925512.db2.gz SCXQWIWLABTZQK-BDJLRTHQSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573652628 947944669 /nfs/dbraw/zinc/94/46/69/947944669.db2.gz FOOSJUNJUOMQAX-ABAIWWIYSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392345 947946223 /nfs/dbraw/zinc/94/62/23/947946223.db2.gz AARJHHDHOMQTPR-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392345 947946229 /nfs/dbraw/zinc/94/62/29/947946229.db2.gz AARJHHDHOMQTPR-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001573392340 947946752 /nfs/dbraw/zinc/94/67/52/947946752.db2.gz AAGRQWOSYUCVKW-ZBEGNZNMSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001573392340 947946758 /nfs/dbraw/zinc/94/67/58/947946758.db2.gz AAGRQWOSYUCVKW-ZBEGNZNMSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392380 947946904 /nfs/dbraw/zinc/94/69/04/947946904.db2.gz AEXDHSPPILUQKW-MRXNPFEDSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392380 947946914 /nfs/dbraw/zinc/94/69/14/947946914.db2.gz AEXDHSPPILUQKW-MRXNPFEDSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392380 947946932 /nfs/dbraw/zinc/94/69/32/947946932.db2.gz AEXDHSPPILUQKW-MRXNPFEDSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392380 947946942 /nfs/dbraw/zinc/94/69/42/947946942.db2.gz AEXDHSPPILUQKW-MRXNPFEDSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392341 947947216 /nfs/dbraw/zinc/94/72/16/947947216.db2.gz AARJHHDHOMQTPR-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392341 947947224 /nfs/dbraw/zinc/94/72/24/947947224.db2.gz AARJHHDHOMQTPR-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573392660 947950322 /nfs/dbraw/zinc/95/03/22/947950322.db2.gz DFJOHKZLMLJMGY-SUMWQHHRSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573392660 947950332 /nfs/dbraw/zinc/95/03/32/947950332.db2.gz DFJOHKZLMLJMGY-SUMWQHHRSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392691 947950665 /nfs/dbraw/zinc/95/06/65/947950665.db2.gz FBASIQZQNDINQY-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392691 947950669 /nfs/dbraw/zinc/95/06/69/947950669.db2.gz FBASIQZQNDINQY-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392661 947950919 /nfs/dbraw/zinc/95/09/19/947950919.db2.gz DHRGOYWFZGEGDR-HNNXBMFYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392661 947950923 /nfs/dbraw/zinc/95/09/23/947950923.db2.gz DHRGOYWFZGEGDR-HNNXBMFYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392661 947950927 /nfs/dbraw/zinc/95/09/27/947950927.db2.gz DHRGOYWFZGEGDR-HNNXBMFYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392661 947950930 /nfs/dbraw/zinc/95/09/30/947950930.db2.gz DHRGOYWFZGEGDR-HNNXBMFYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573393427 947957460 /nfs/dbraw/zinc/95/74/60/947957460.db2.gz MHRISXUPEWPTBO-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573393427 947957467 /nfs/dbraw/zinc/95/74/67/947957467.db2.gz MHRISXUPEWPTBO-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573393565 947958533 /nfs/dbraw/zinc/95/85/33/947958533.db2.gz NLXISDFJPPZVKZ-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573393565 947958541 /nfs/dbraw/zinc/95/85/41/947958541.db2.gz NLXISDFJPPZVKZ-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573393976 947962452 /nfs/dbraw/zinc/96/24/52/947962452.db2.gz RLGOZFVLYJLMSW-DYVFJYSZSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573393976 947962454 /nfs/dbraw/zinc/96/24/54/947962454.db2.gz RLGOZFVLYJLMSW-DYVFJYSZSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@H]1C ZINC001573394388 947963270 /nfs/dbraw/zinc/96/32/70/947963270.db2.gz SRMGKZPZPYPIFS-BZNIZROVSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@H]1C ZINC001573394388 947963277 /nfs/dbraw/zinc/96/32/77/947963277.db2.gz SRMGKZPZPYPIFS-BZNIZROVSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573394682 947966771 /nfs/dbraw/zinc/96/67/71/947966771.db2.gz UXXMONWEPPYZIR-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573394682 947966775 /nfs/dbraw/zinc/96/67/75/947966775.db2.gz UXXMONWEPPYZIR-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573398185 947977951 /nfs/dbraw/zinc/97/79/51/947977951.db2.gz IDUMMERQAVYPLH-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@](C)(C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573398109 947978649 /nfs/dbraw/zinc/97/86/49/947978649.db2.gz GPXICTCBTKKQRQ-IBGZPJMESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@](C)(C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573398109 947978652 /nfs/dbraw/zinc/97/86/52/947978652.db2.gz GPXICTCBTKKQRQ-IBGZPJMESA-N 0 3 385.472 0.720 20 0 GCADHN Cc1onc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1-c1nnn[n-]1 ZINC000826342934 947985436 /nfs/dbraw/zinc/98/54/36/947985436.db2.gz GEGWDWJRFZKPKV-CQSZACIVSA-N 0 3 388.476 0.333 20 0 GCADHN Cc1onc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1-c1nnn[n-]1 ZINC000826342934 947985442 /nfs/dbraw/zinc/98/54/42/947985442.db2.gz GEGWDWJRFZKPKV-CQSZACIVSA-N 0 3 388.476 0.333 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573399850 947996097 /nfs/dbraw/zinc/99/60/97/947996097.db2.gz ZQUWIWVYBAMKHY-CALCHBBNSA-N 0 3 383.456 0.235 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573399850 947996102 /nfs/dbraw/zinc/99/61/02/947996102.db2.gz ZQUWIWVYBAMKHY-CALCHBBNSA-N 0 3 383.456 0.235 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573399850 947996110 /nfs/dbraw/zinc/99/61/10/947996110.db2.gz ZQUWIWVYBAMKHY-CALCHBBNSA-N 0 3 383.456 0.235 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573399850 947996112 /nfs/dbraw/zinc/99/61/12/947996112.db2.gz ZQUWIWVYBAMKHY-CALCHBBNSA-N 0 3 383.456 0.235 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573402845 948006161 /nfs/dbraw/zinc/00/61/61/948006161.db2.gz JMDGCLBWAOYPFV-DOTOQJQBSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573402845 948006168 /nfs/dbraw/zinc/00/61/68/948006168.db2.gz JMDGCLBWAOYPFV-DOTOQJQBSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573403099 948008992 /nfs/dbraw/zinc/00/89/92/948008992.db2.gz LKFRBAAQYFGUKR-NSHDSACASA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573403099 948008996 /nfs/dbraw/zinc/00/89/96/948008996.db2.gz LKFRBAAQYFGUKR-NSHDSACASA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573403827 948013644 /nfs/dbraw/zinc/01/36/44/948013644.db2.gz OQUQNPWGLRCJLE-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573403827 948013647 /nfs/dbraw/zinc/01/36/47/948013647.db2.gz OQUQNPWGLRCJLE-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573403827 948013657 /nfs/dbraw/zinc/01/36/57/948013657.db2.gz OQUQNPWGLRCJLE-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573403827 948013662 /nfs/dbraw/zinc/01/36/62/948013662.db2.gz OQUQNPWGLRCJLE-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCC1 ZINC001573405452 948043583 /nfs/dbraw/zinc/04/35/83/948043583.db2.gz QTPVDCIDARNZQO-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCC1 ZINC001573405452 948043588 /nfs/dbraw/zinc/04/35/88/948043588.db2.gz QTPVDCIDARNZQO-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001573406755 948058360 /nfs/dbraw/zinc/05/83/60/948058360.db2.gz QWVUMPVNYSNOLP-CZUORRHYSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001573406755 948058370 /nfs/dbraw/zinc/05/83/70/948058370.db2.gz QWVUMPVNYSNOLP-CZUORRHYSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001573406755 948058378 /nfs/dbraw/zinc/05/83/78/948058378.db2.gz QWVUMPVNYSNOLP-CZUORRHYSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001573406755 948058386 /nfs/dbraw/zinc/05/83/86/948058386.db2.gz QWVUMPVNYSNOLP-CZUORRHYSA-N 0 3 385.472 0.529 20 0 GCADHN Cc1onc(CC(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826347674 948059069 /nfs/dbraw/zinc/05/90/69/948059069.db2.gz ZNHAVGWUYXBXJJ-TXEJJXNPSA-N 0 3 377.449 0.711 20 0 GCADHN Cc1onc(CC(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826347674 948059073 /nfs/dbraw/zinc/05/90/73/948059073.db2.gz ZNHAVGWUYXBXJJ-TXEJJXNPSA-N 0 3 377.449 0.711 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573406910 948060783 /nfs/dbraw/zinc/06/07/83/948060783.db2.gz WMXUEHGDUQPLFS-IAGOWNOFSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573406910 948060792 /nfs/dbraw/zinc/06/07/92/948060792.db2.gz WMXUEHGDUQPLFS-IAGOWNOFSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)[C@H]2C)C1 ZINC001573413333 948079569 /nfs/dbraw/zinc/07/95/69/948079569.db2.gz BUSJQQVYTWZDGI-SJKOYZFVSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)[C@H]2C)C1 ZINC001573413333 948079577 /nfs/dbraw/zinc/07/95/77/948079577.db2.gz BUSJQQVYTWZDGI-SJKOYZFVSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573413610 948080988 /nfs/dbraw/zinc/08/09/88/948080988.db2.gz DNFIWKYLIDJQNF-AWEZNQCLSA-N 0 3 387.419 0.175 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]2C)C1 ZINC001573413813 948085291 /nfs/dbraw/zinc/08/52/91/948085291.db2.gz GUYGNXOIQUQADI-SJKOYZFVSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)CC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573413754 948085911 /nfs/dbraw/zinc/08/59/11/948085911.db2.gz FMAHPCPPQUWKJG-UHFFFAOYSA-N 0 3 375.408 0.032 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573414002 948088109 /nfs/dbraw/zinc/08/81/09/948088109.db2.gz IMPIKAXGGOWBKZ-AWEZNQCLSA-N 0 3 387.419 0.175 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001573414002 948088116 /nfs/dbraw/zinc/08/81/16/948088116.db2.gz IMPIKAXGGOWBKZ-AWEZNQCLSA-N 0 3 387.419 0.175 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573414119 948090068 /nfs/dbraw/zinc/09/00/68/948090068.db2.gz JMARVLCNLXFZCD-WBMJQRKESA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001573414119 948090076 /nfs/dbraw/zinc/09/00/76/948090076.db2.gz JMARVLCNLXFZCD-WBMJQRKESA-N 0 3 383.456 0.424 20 0 GCADHN Cc1sc(NC(=O)C[NH2+][C@@H](CO)C2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000826349610 948093489 /nfs/dbraw/zinc/09/34/89/948093489.db2.gz NWUNNCVCDYMKJN-LBPRGKRZSA-N 0 3 380.474 0.861 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573419614 948125028 /nfs/dbraw/zinc/12/50/28/948125028.db2.gz NPGURTWZVZCWCK-NSHDSACASA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573419614 948125037 /nfs/dbraw/zinc/12/50/37/948125037.db2.gz NPGURTWZVZCWCK-NSHDSACASA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573419878 948130484 /nfs/dbraw/zinc/13/04/84/948130484.db2.gz UTHRTZXAHRBVLX-NSHDSACASA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573419878 948130487 /nfs/dbraw/zinc/13/04/87/948130487.db2.gz UTHRTZXAHRBVLX-NSHDSACASA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573419936 948132575 /nfs/dbraw/zinc/13/25/75/948132575.db2.gz VYHYROPYIKARAP-WDEREUQCSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573419934 948133020 /nfs/dbraw/zinc/13/30/20/948133020.db2.gz VYHYROPYIKARAP-MNOVXSKESA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573424000 948147561 /nfs/dbraw/zinc/14/75/61/948147561.db2.gz SMVFFXOUUPJBNB-CQSZACIVSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573424000 948147565 /nfs/dbraw/zinc/14/75/65/948147565.db2.gz SMVFFXOUUPJBNB-CQSZACIVSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573424000 948147569 /nfs/dbraw/zinc/14/75/69/948147569.db2.gz SMVFFXOUUPJBNB-CQSZACIVSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573424000 948147573 /nfs/dbraw/zinc/14/75/73/948147573.db2.gz SMVFFXOUUPJBNB-CQSZACIVSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573424288 948149840 /nfs/dbraw/zinc/14/98/40/948149840.db2.gz XMBDLYKXMRCCTF-UHFFFAOYSA-N 0 3 387.419 0.223 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001573426587 948158477 /nfs/dbraw/zinc/15/84/77/948158477.db2.gz MQRILKQCZIEATD-SHTZXODSSA-N 0 3 387.419 0.221 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001573426587 948158481 /nfs/dbraw/zinc/15/84/81/948158481.db2.gz MQRILKQCZIEATD-SHTZXODSSA-N 0 3 387.419 0.221 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573679840 948167372 /nfs/dbraw/zinc/16/73/72/948167372.db2.gz KCZXTYBEZZRISO-KBPBESRZSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573679965 948169209 /nfs/dbraw/zinc/16/92/09/948169209.db2.gz KPINAWPBVMNYNX-OCCSQVGLSA-N 0 3 387.419 0.635 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573433202 948198174 /nfs/dbraw/zinc/19/81/74/948198174.db2.gz JTOYVOGGWSHEAQ-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573433202 948198181 /nfs/dbraw/zinc/19/81/81/948198181.db2.gz JTOYVOGGWSHEAQ-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573433837 948205509 /nfs/dbraw/zinc/20/55/09/948205509.db2.gz NWYODUAYLJWHBB-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573433837 948205520 /nfs/dbraw/zinc/20/55/20/948205520.db2.gz NWYODUAYLJWHBB-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573433831 948205566 /nfs/dbraw/zinc/20/55/66/948205566.db2.gz NWYODUAYLJWHBB-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573433831 948205573 /nfs/dbraw/zinc/20/55/73/948205573.db2.gz NWYODUAYLJWHBB-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573434639 948217416 /nfs/dbraw/zinc/21/74/16/948217416.db2.gz RUSFTUAMXYNXTP-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573434643 948218264 /nfs/dbraw/zinc/21/82/64/948218264.db2.gz RUSFTUAMXYNXTP-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573689928 948220268 /nfs/dbraw/zinc/22/02/68/948220268.db2.gz AMYXBXHPTVZLEB-MWLCHTKSSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573689928 948220278 /nfs/dbraw/zinc/22/02/78/948220278.db2.gz AMYXBXHPTVZLEB-MWLCHTKSSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC001573690235 948223514 /nfs/dbraw/zinc/22/35/14/948223514.db2.gz BSOXBWUIMONAGW-XJKSGUPXSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC001573690235 948223523 /nfs/dbraw/zinc/22/35/23/948223523.db2.gz BSOXBWUIMONAGW-XJKSGUPXSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC001573690234 948223944 /nfs/dbraw/zinc/22/39/44/948223944.db2.gz BSOXBWUIMONAGW-CZUORRHYSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC001573690234 948223955 /nfs/dbraw/zinc/22/39/55/948223955.db2.gz BSOXBWUIMONAGW-CZUORRHYSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)(F)F ZINC001573690916 948231555 /nfs/dbraw/zinc/23/15/55/948231555.db2.gz GWEMROOXNKEPGC-BXKDBHETSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)(F)F ZINC001573690916 948231563 /nfs/dbraw/zinc/23/15/63/948231563.db2.gz GWEMROOXNKEPGC-BXKDBHETSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)(F)F ZINC001573690919 948234169 /nfs/dbraw/zinc/23/41/69/948234169.db2.gz GWEMROOXNKEPGC-SKDRFNHKSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)(F)F ZINC001573690919 948234173 /nfs/dbraw/zinc/23/41/73/948234173.db2.gz GWEMROOXNKEPGC-SKDRFNHKSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccco1 ZINC001573692456 948265266 /nfs/dbraw/zinc/26/52/66/948265266.db2.gz PABAEUYZTVKHQV-AAEUAGOBSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573693772 948286868 /nfs/dbraw/zinc/28/68/68/948286868.db2.gz SZUODAKIWAEYOU-ZIAGYGMSSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(F)(F)F ZINC001573693915 948292528 /nfs/dbraw/zinc/29/25/28/948292528.db2.gz VFXXYDOIPMPIQR-KCJUWKMLSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(F)(F)F ZINC001573693915 948292535 /nfs/dbraw/zinc/29/25/35/948292535.db2.gz VFXXYDOIPMPIQR-KCJUWKMLSA-N 0 3 390.341 0.771 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573442421 948294628 /nfs/dbraw/zinc/29/46/28/948294628.db2.gz IDLFDZLTVRQFBJ-MRXNPFEDSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573442421 948294634 /nfs/dbraw/zinc/29/46/34/948294634.db2.gz IDLFDZLTVRQFBJ-MRXNPFEDSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)n1cccc1 ZINC001573694464 948296267 /nfs/dbraw/zinc/29/62/67/948296267.db2.gz VUWZYCLRBNMBJR-IUODEOHRSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)n1cccc1 ZINC001573694464 948296275 /nfs/dbraw/zinc/29/62/75/948296275.db2.gz VUWZYCLRBNMBJR-IUODEOHRSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573695177 948303832 /nfs/dbraw/zinc/30/38/32/948303832.db2.gz XEEAMQIWHOQTSQ-AAEUAGOBSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573695177 948303838 /nfs/dbraw/zinc/30/38/38/948303838.db2.gz XEEAMQIWHOQTSQ-AAEUAGOBSA-N 0 3 388.403 0.969 20 0 GCADHN CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000897999030 948467821 /nfs/dbraw/zinc/46/78/21/948467821.db2.gz YAXPUNJGAYILSJ-UHFFFAOYSA-N 0 3 384.488 0.894 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001573716215 948497353 /nfs/dbraw/zinc/49/73/53/948497353.db2.gz DGYRPXBKRYMCMH-NWDGAFQWSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573716215 948497358 /nfs/dbraw/zinc/49/73/58/948497358.db2.gz DGYRPXBKRYMCMH-NWDGAFQWSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573716486 948499328 /nfs/dbraw/zinc/49/93/28/948499328.db2.gz GPNIAPDMWFPVIL-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCCCC1 ZINC001573730211 948578624 /nfs/dbraw/zinc/57/86/24/948578624.db2.gz ZRXKEVYOJPXJMO-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573749310 948699948 /nfs/dbraw/zinc/69/99/48/948699948.db2.gz YCOTUTKEGDARCL-DANNLKNASA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573749310 948699950 /nfs/dbraw/zinc/69/99/50/948699950.db2.gz YCOTUTKEGDARCL-DANNLKNASA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001573751778 948704858 /nfs/dbraw/zinc/70/48/58/948704858.db2.gz CPIINYKKNWPXOM-KKBVYLPWSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001573751778 948704866 /nfs/dbraw/zinc/70/48/66/948704866.db2.gz CPIINYKKNWPXOM-KKBVYLPWSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001573751778 948704872 /nfs/dbraw/zinc/70/48/72/948704872.db2.gz CPIINYKKNWPXOM-KKBVYLPWSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001573751778 948704877 /nfs/dbraw/zinc/70/48/77/948704877.db2.gz CPIINYKKNWPXOM-KKBVYLPWSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)c1cnn(C)c1 ZINC001573752513 948713847 /nfs/dbraw/zinc/71/38/47/948713847.db2.gz NQAQVAXVQWFFSF-DUOKCRBOSA-N 0 3 392.467 0.950 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)c1cnn(C)c1 ZINC001573752513 948713850 /nfs/dbraw/zinc/71/38/50/948713850.db2.gz NQAQVAXVQWFFSF-DUOKCRBOSA-N 0 3 392.467 0.950 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)c1cnn(C)c1 ZINC001573752515 948714110 /nfs/dbraw/zinc/71/41/10/948714110.db2.gz NQAQVAXVQWFFSF-QTXLCTLRSA-N 0 3 392.467 0.950 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)c1cnn(C)c1 ZINC001573752515 948714118 /nfs/dbraw/zinc/71/41/18/948714118.db2.gz NQAQVAXVQWFFSF-QTXLCTLRSA-N 0 3 392.467 0.950 20 0 GCADHN C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573754177 948739272 /nfs/dbraw/zinc/73/92/72/948739272.db2.gz CRUKLHINZDIVQT-WCQYABFASA-N 0 3 386.460 0.243 20 0 GCADHN C[C@@H](C(N)=O)[N@H+]1CC[C@@H](C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573754177 948739281 /nfs/dbraw/zinc/73/92/81/948739281.db2.gz CRUKLHINZDIVQT-WCQYABFASA-N 0 3 386.460 0.243 20 0 GCADHN CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCCC1 ZINC001573761114 948837080 /nfs/dbraw/zinc/83/70/80/948837080.db2.gz CEEYLBLWDUABBG-UHFFFAOYSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573763932 948875092 /nfs/dbraw/zinc/87/50/92/948875092.db2.gz IUPPHBZJAPTEGU-ZDUSSCGKSA-N 0 3 392.485 0.380 20 0 GCADHN CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573763932 948875111 /nfs/dbraw/zinc/87/51/11/948875111.db2.gz IUPPHBZJAPTEGU-ZDUSSCGKSA-N 0 3 392.485 0.380 20 0 GCADHN CC(C)(C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001573764345 948885506 /nfs/dbraw/zinc/88/55/06/948885506.db2.gz NOSGKQVDAGACGF-CYBMUJFWSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@@H](CNC(=O)CCc1nccn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574920887 948908324 /nfs/dbraw/zinc/90/83/24/948908324.db2.gz QDAZBCLJMJPBME-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)(C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[NH+]1CCCC1 ZINC001573771127 948935874 /nfs/dbraw/zinc/93/58/74/948935874.db2.gz COYJTUUZUTZDQU-UHFFFAOYSA-N 0 3 386.460 0.448 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574433980 948973086 /nfs/dbraw/zinc/97/30/86/948973086.db2.gz BIIYFJPDMJUHJC-GFCCVEGCSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574433980 948973095 /nfs/dbraw/zinc/97/30/95/948973095.db2.gz BIIYFJPDMJUHJC-GFCCVEGCSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574433981 948973640 /nfs/dbraw/zinc/97/36/40/948973640.db2.gz BIIYFJPDMJUHJC-LBPRGKRZSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574433981 948973646 /nfs/dbraw/zinc/97/36/46/948973646.db2.gz BIIYFJPDMJUHJC-LBPRGKRZSA-N 0 3 384.448 0.271 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575242124 948981926 /nfs/dbraw/zinc/98/19/26/948981926.db2.gz HBAJFXJHEXYPCE-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575242124 948981932 /nfs/dbraw/zinc/98/19/32/948981932.db2.gz HBAJFXJHEXYPCE-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575242124 948981939 /nfs/dbraw/zinc/98/19/39/948981939.db2.gz HBAJFXJHEXYPCE-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575242124 948981946 /nfs/dbraw/zinc/98/19/46/948981946.db2.gz HBAJFXJHEXYPCE-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926032 948984574 /nfs/dbraw/zinc/98/45/74/948984574.db2.gz GUZDZLCXWQPQLQ-LLVKDONJSA-N 0 3 375.408 0.223 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574926032 948984589 /nfs/dbraw/zinc/98/45/89/948984589.db2.gz GUZDZLCXWQPQLQ-LLVKDONJSA-N 0 3 375.408 0.223 20 0 GCADHN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(F)F ZINC001573774358 949007106 /nfs/dbraw/zinc/00/71/06/949007106.db2.gz NBMQRYIOCYLFJG-SNVBAGLBSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575244004 949007963 /nfs/dbraw/zinc/00/79/63/949007963.db2.gz UQTODUWVDIPEFW-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575244004 949007978 /nfs/dbraw/zinc/00/79/78/949007978.db2.gz UQTODUWVDIPEFW-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575244004 949007990 /nfs/dbraw/zinc/00/79/90/949007990.db2.gz UQTODUWVDIPEFW-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575244004 949008005 /nfs/dbraw/zinc/00/80/05/949008005.db2.gz UQTODUWVDIPEFW-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575244215 949014808 /nfs/dbraw/zinc/01/48/08/949014808.db2.gz YAXOHCCOUZQKNC-QWHCGFSZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575244215 949014819 /nfs/dbraw/zinc/01/48/19/949014819.db2.gz YAXOHCCOUZQKNC-QWHCGFSZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001575244225 949017250 /nfs/dbraw/zinc/01/72/50/949017250.db2.gz YKTYBSBLHLJWLP-DZGCQCFKSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@H](F)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001575244225 949017287 /nfs/dbraw/zinc/01/72/87/949017287.db2.gz YKTYBSBLHLJWLP-DZGCQCFKSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@H](F)CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001575244225 949017303 /nfs/dbraw/zinc/01/73/03/949017303.db2.gz YKTYBSBLHLJWLP-DZGCQCFKSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@H](F)CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001575244225 949017268 /nfs/dbraw/zinc/01/72/68/949017268.db2.gz YKTYBSBLHLJWLP-DZGCQCFKSA-N 0 3 390.467 0.775 20 0 GCADHN CC(C)(C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCC1 ZINC001573780308 949090883 /nfs/dbraw/zinc/09/08/83/949090883.db2.gz VTRVTXWTLVEJSG-CYBMUJFWSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)(C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCC1 ZINC001573781510 949108616 /nfs/dbraw/zinc/10/86/16/949108616.db2.gz IOXXQUSTDWZEMG-ARJAWSKDSA-N 0 3 386.460 0.471 20 0 GCADHN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)[NH+]1CCCC1 ZINC001573786977 949160360 /nfs/dbraw/zinc/16/03/60/949160360.db2.gz HHPXFVMNEXIVTI-FOLVSLTJSA-N 0 3 382.472 0.687 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573787299 949176315 /nfs/dbraw/zinc/17/63/15/949176315.db2.gz SJHGGXLUDCLTKF-HDJSIYSDSA-N 0 3 392.485 0.427 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573787299 949176323 /nfs/dbraw/zinc/17/63/23/949176323.db2.gz SJHGGXLUDCLTKF-HDJSIYSDSA-N 0 3 392.485 0.427 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)n1cncn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574698164 949178358 /nfs/dbraw/zinc/17/83/58/949178358.db2.gz GTBWCAMDXJEALU-VXGBXAGGSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)n1cncn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574698164 949178369 /nfs/dbraw/zinc/17/83/69/949178369.db2.gz GTBWCAMDXJEALU-VXGBXAGGSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H](C)n1cncn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574698197 949179872 /nfs/dbraw/zinc/17/98/72/949179872.db2.gz HDKGWZWPXKGGAM-RYUDHWBXSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001574698368 949186777 /nfs/dbraw/zinc/18/67/77/949186777.db2.gz JUMZVDJGVSTSBF-NWDGAFQWSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001574698368 949186787 /nfs/dbraw/zinc/18/67/87/949186787.db2.gz JUMZVDJGVSTSBF-NWDGAFQWSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)n1cncn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574698370 949187552 /nfs/dbraw/zinc/18/75/52/949187552.db2.gz JUMZVDJGVSTSBF-VXGBXAGGSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)n1cncn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574698370 949187560 /nfs/dbraw/zinc/18/75/60/949187560.db2.gz JUMZVDJGVSTSBF-VXGBXAGGSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575253567 949190185 /nfs/dbraw/zinc/19/01/85/949190185.db2.gz KPSMPQKTFZIUGG-LLVKDONJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575253567 949190190 /nfs/dbraw/zinc/19/01/90/949190190.db2.gz KPSMPQKTFZIUGG-LLVKDONJSA-N 0 3 386.460 0.113 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)cn1 ZINC001574452238 949258618 /nfs/dbraw/zinc/25/86/18/949258618.db2.gz HIIFZZQSSYZATJ-HNNXBMFYSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)cn1 ZINC001574452238 949258642 /nfs/dbraw/zinc/25/86/42/949258642.db2.gz HIIFZZQSSYZATJ-HNNXBMFYSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001574452908 949274815 /nfs/dbraw/zinc/27/48/15/949274815.db2.gz RDCPCAUHEICNMZ-INIZCTEOSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001574452908 949274836 /nfs/dbraw/zinc/27/48/36/949274836.db2.gz RDCPCAUHEICNMZ-INIZCTEOSA-N 0 3 384.444 0.525 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574702419 949282793 /nfs/dbraw/zinc/28/27/93/949282793.db2.gz IVCHQFDYQVISHK-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574702419 949282809 /nfs/dbraw/zinc/28/28/09/949282809.db2.gz IVCHQFDYQVISHK-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)C1=COCCO1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574703241 949317343 /nfs/dbraw/zinc/31/73/43/949317343.db2.gz AKAZTWHFRVAABV-LLVKDONJSA-N 0 3 376.392 0.831 20 0 GCADHN C[C@H](CN(C)C(=O)C1=COCCO1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574703241 949317361 /nfs/dbraw/zinc/31/73/61/949317361.db2.gz AKAZTWHFRVAABV-LLVKDONJSA-N 0 3 376.392 0.831 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574703246 949318552 /nfs/dbraw/zinc/31/85/52/949318552.db2.gz AKUNGQUQEQCYHS-YPMHNXCESA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574703246 949318580 /nfs/dbraw/zinc/31/85/80/949318580.db2.gz AKUNGQUQEQCYHS-YPMHNXCESA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574703551 949338137 /nfs/dbraw/zinc/33/81/37/949338137.db2.gz WHANTDKDJJWXQA-ADLMAVQZSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574703551 949338160 /nfs/dbraw/zinc/33/81/60/949338160.db2.gz WHANTDKDJJWXQA-ADLMAVQZSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574703569 949339266 /nfs/dbraw/zinc/33/92/66/949339266.db2.gz WKCIIEHRGRROTI-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574703569 949339287 /nfs/dbraw/zinc/33/92/87/949339287.db2.gz WKCIIEHRGRROTI-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574704429 949388608 /nfs/dbraw/zinc/38/86/08/949388608.db2.gz CHPBHFOCIJLWID-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574705285 949419223 /nfs/dbraw/zinc/41/92/23/949419223.db2.gz HBIIDGBMPMWZKY-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574705285 949419229 /nfs/dbraw/zinc/41/92/29/949419229.db2.gz HBIIDGBMPMWZKY-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574705286 949422072 /nfs/dbraw/zinc/42/20/72/949422072.db2.gz HBIIDGBMPMWZKY-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574705286 949422089 /nfs/dbraw/zinc/42/20/89/949422089.db2.gz HBIIDGBMPMWZKY-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575264612 949430756 /nfs/dbraw/zinc/43/07/56/949430756.db2.gz PHRJIAGCAQYUCF-NSHDSACASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCNC(=O)C1 ZINC001575535749 949455306 /nfs/dbraw/zinc/45/53/06/949455306.db2.gz AOWAVTIANVAART-HNAYVOBHSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@H](CNC(=O)Cn1ccccc1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574948251 949458751 /nfs/dbraw/zinc/45/87/51/949458751.db2.gz HBTLGZLIDXVVQC-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@@H](CNC(=O)Cn1ccccc1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574948251 949458768 /nfs/dbraw/zinc/45/87/68/949458768.db2.gz HBTLGZLIDXVVQC-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@@H](CNC(=O)Cn1ccccc1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574948251 949458783 /nfs/dbraw/zinc/45/87/83/949458783.db2.gz HBTLGZLIDXVVQC-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@@H](CNC(=O)Cn1ccccc1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574948251 949458802 /nfs/dbraw/zinc/45/88/02/949458802.db2.gz HBTLGZLIDXVVQC-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575537483 949499801 /nfs/dbraw/zinc/49/98/01/949499801.db2.gz WBOZKXQLQLXAST-KUHUBIRLSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575537483 949499821 /nfs/dbraw/zinc/49/98/21/949499821.db2.gz WBOZKXQLQLXAST-KUHUBIRLSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575871570 949515061 /nfs/dbraw/zinc/51/50/61/949515061.db2.gz AKIVNGMLPXRLPG-RYUDHWBXSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575871570 949515078 /nfs/dbraw/zinc/51/50/78/949515078.db2.gz AKIVNGMLPXRLPG-RYUDHWBXSA-N 0 3 386.460 0.256 20 0 GCADHN CC(C)c1nnnn1CC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574949969 949525209 /nfs/dbraw/zinc/52/52/09/949525209.db2.gz IMXXBBXONLLWOC-LBPRGKRZSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)c1nnnn1CC(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574949969 949525221 /nfs/dbraw/zinc/52/52/21/949525221.db2.gz IMXXBBXONLLWOC-LBPRGKRZSA-N 0 3 384.448 0.271 20 0 GCADHN C[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163321 949530266 /nfs/dbraw/zinc/53/02/66/949530266.db2.gz AHPFZELGUXTVKN-JHJVBQTASA-N 0 3 386.460 0.446 20 0 GCADHN C[C@H]1CCCCN1C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163322 949532233 /nfs/dbraw/zinc/53/22/33/949532233.db2.gz AHPFZELGUXTVKN-RWMBFGLXSA-N 0 3 386.460 0.446 20 0 GCADHN C[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163323 949532767 /nfs/dbraw/zinc/53/27/67/949532767.db2.gz AHPFZELGUXTVKN-UPJWGTAASA-N 0 3 386.460 0.446 20 0 GCADHN C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574472222 949548171 /nfs/dbraw/zinc/54/81/71/949548171.db2.gz SENSHNUUMZPSRO-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574472222 949548196 /nfs/dbraw/zinc/54/81/96/949548196.db2.gz SENSHNUUMZPSRO-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711702 949551499 /nfs/dbraw/zinc/55/14/99/949551499.db2.gz KQRLMSZYRQLPDR-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711804 949555381 /nfs/dbraw/zinc/55/53/81/949555381.db2.gz MLDMSBQELMJGBO-OLZOCXBDSA-N 0 3 381.444 0.402 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575269542 949559256 /nfs/dbraw/zinc/55/92/56/949559256.db2.gz VQFJOXWYCSKYHQ-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575269542 949559269 /nfs/dbraw/zinc/55/92/69/949559269.db2.gz VQFJOXWYCSKYHQ-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575269542 949559284 /nfs/dbraw/zinc/55/92/84/949559284.db2.gz VQFJOXWYCSKYHQ-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575269542 949559304 /nfs/dbraw/zinc/55/93/04/949559304.db2.gz VQFJOXWYCSKYHQ-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575269754 949563113 /nfs/dbraw/zinc/56/31/13/949563113.db2.gz WSJUODFLEPKSSO-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1COCCO1 ZINC001573810810 949580467 /nfs/dbraw/zinc/58/04/67/949580467.db2.gz DCHVVUSCHYTOEE-CVEARBPZSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1COCCO1 ZINC001573810810 949580489 /nfs/dbraw/zinc/58/04/89/949580489.db2.gz DCHVVUSCHYTOEE-CVEARBPZSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1ncnn1 ZINC001573810835 949583261 /nfs/dbraw/zinc/58/32/61/949583261.db2.gz DQDCJJRDKBEYLG-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1ncnn1 ZINC001573810835 949583279 /nfs/dbraw/zinc/58/32/79/949583279.db2.gz DQDCJJRDKBEYLG-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575270534 949597675 /nfs/dbraw/zinc/59/76/75/949597675.db2.gz DOOUAQFWKCYRKU-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270534 949597687 /nfs/dbraw/zinc/59/76/87/949597687.db2.gz DOOUAQFWKCYRKU-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811343 949601129 /nfs/dbraw/zinc/60/11/29/949601129.db2.gz KMGNQINLPPVYDA-GJZGRUSLSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811343 949601150 /nfs/dbraw/zinc/60/11/50/949601150.db2.gz KMGNQINLPPVYDA-GJZGRUSLSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811336 949601523 /nfs/dbraw/zinc/60/15/23/949601523.db2.gz KLPKDYMLEIZEQI-CABCVRRESA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811336 949601539 /nfs/dbraw/zinc/60/15/39/949601539.db2.gz KLPKDYMLEIZEQI-CABCVRRESA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575271064 949611274 /nfs/dbraw/zinc/61/12/74/949611274.db2.gz HUDUTPAKABIPDH-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575271064 949611285 /nfs/dbraw/zinc/61/12/85/949611285.db2.gz HUDUTPAKABIPDH-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575271066 949611845 /nfs/dbraw/zinc/61/18/45/949611845.db2.gz HUDUTPAKABIPDH-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575271066 949611855 /nfs/dbraw/zinc/61/18/55/949611855.db2.gz HUDUTPAKABIPDH-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)Cn1cnnn1 ZINC001573812169 949614236 /nfs/dbraw/zinc/61/42/36/949614236.db2.gz QKEXSFQFMLKPJF-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)Cn1cnnn1 ZINC001573812169 949614246 /nfs/dbraw/zinc/61/42/46/949614246.db2.gz QKEXSFQFMLKPJF-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576167954 949621561 /nfs/dbraw/zinc/62/15/61/949621561.db2.gz AOCFHRYFKNRWPI-DOMZBBRYSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576167954 949621576 /nfs/dbraw/zinc/62/15/76/949621576.db2.gz AOCFHRYFKNRWPI-DOMZBBRYSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576167957 949623303 /nfs/dbraw/zinc/62/33/03/949623303.db2.gz AOCFHRYFKNRWPI-WFASDCNBSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576167957 949623319 /nfs/dbraw/zinc/62/33/19/949623319.db2.gz AOCFHRYFKNRWPI-WFASDCNBSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575271580 949625009 /nfs/dbraw/zinc/62/50/09/949625009.db2.gz LBRLJVQRRLJBRC-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575271580 949625025 /nfs/dbraw/zinc/62/50/25/949625025.db2.gz LBRLJVQRRLJBRC-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574714835 949637421 /nfs/dbraw/zinc/63/74/21/949637421.db2.gz GSKHFSJDUFYWEC-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574714835 949637432 /nfs/dbraw/zinc/63/74/32/949637432.db2.gz GSKHFSJDUFYWEC-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001575272475 949646085 /nfs/dbraw/zinc/64/60/85/949646085.db2.gz REHIWSIWAQOFJE-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001575272475 949646101 /nfs/dbraw/zinc/64/61/01/949646101.db2.gz REHIWSIWAQOFJE-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715187 949647927 /nfs/dbraw/zinc/64/79/27/949647927.db2.gz HJALMNKYMVOZDU-UONOGXRCSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715187 949647940 /nfs/dbraw/zinc/64/79/40/949647940.db2.gz HJALMNKYMVOZDU-UONOGXRCSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575272964 949654271 /nfs/dbraw/zinc/65/42/71/949654271.db2.gz SUZGBCQCSXHCCO-GFCCVEGCSA-N 0 3 375.452 0.894 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876876 949658373 /nfs/dbraw/zinc/65/83/73/949658373.db2.gz YWBSWAFQLLNOLW-AAEUAGOBSA-N 0 3 384.444 0.010 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccncc1-c1nn[nH]n1 ZINC001574958239 949659826 /nfs/dbraw/zinc/65/98/26/949659826.db2.gz HKEBZEJKIHEMNU-JHJVBQTASA-N 0 3 381.444 0.385 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575273300 949660796 /nfs/dbraw/zinc/66/07/96/949660796.db2.gz VROBLDAPQURQJT-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575273300 949660811 /nfs/dbraw/zinc/66/08/11/949660811.db2.gz VROBLDAPQURQJT-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574716073 949677277 /nfs/dbraw/zinc/67/72/77/949677277.db2.gz LVLHMZKGVBKRIB-ZFWWWQNUSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574716073 949677294 /nfs/dbraw/zinc/67/72/94/949677294.db2.gz LVLHMZKGVBKRIB-ZFWWWQNUSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716584 949697180 /nfs/dbraw/zinc/69/71/80/949697180.db2.gz KQMXJCCECCVDOI-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716584 949697199 /nfs/dbraw/zinc/69/71/99/949697199.db2.gz KQMXJCCECCVDOI-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574716460 949698180 /nfs/dbraw/zinc/69/81/80/949698180.db2.gz OZACHMRTKZEVNI-BBRMVZONSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576170509 949717807 /nfs/dbraw/zinc/71/78/07/949717807.db2.gz LOWREBNJJFRBED-WFASDCNBSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576170509 949717822 /nfs/dbraw/zinc/71/78/22/949717822.db2.gz LOWREBNJJFRBED-WFASDCNBSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574960373 949726241 /nfs/dbraw/zinc/72/62/41/949726241.db2.gz WPUXDXBXAKFXBE-AFAVFJNCSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574960373 949726252 /nfs/dbraw/zinc/72/62/52/949726252.db2.gz WPUXDXBXAKFXBE-AFAVFJNCSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001576170667 949730688 /nfs/dbraw/zinc/73/06/88/949730688.db2.gz MSMFCCAZPJJWIU-STQMWFEESA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574962542 949739149 /nfs/dbraw/zinc/73/91/49/949739149.db2.gz BGWSKPBWZBPQCP-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574962542 949739163 /nfs/dbraw/zinc/73/91/63/949739163.db2.gz BGWSKPBWZBPQCP-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574717769 949744329 /nfs/dbraw/zinc/74/43/29/949744329.db2.gz PQKIXOXKYMAKHZ-WCQYABFASA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574717769 949744343 /nfs/dbraw/zinc/74/43/43/949744343.db2.gz PQKIXOXKYMAKHZ-WCQYABFASA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H]1[C@@H](NC(=O)Cn2cncn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575882004 949745750 /nfs/dbraw/zinc/74/57/50/949745750.db2.gz FEPGMAXHSIFRLI-BBRMVZONSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574962927 949745894 /nfs/dbraw/zinc/74/58/94/949745894.db2.gz FONBQXYHUVQBSF-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574962927 949745906 /nfs/dbraw/zinc/74/59/06/949745906.db2.gz FONBQXYHUVQBSF-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574962927 949745923 /nfs/dbraw/zinc/74/59/23/949745923.db2.gz FONBQXYHUVQBSF-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574962927 949745940 /nfs/dbraw/zinc/74/59/40/949745940.db2.gz FONBQXYHUVQBSF-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576171297 949755444 /nfs/dbraw/zinc/75/54/44/949755444.db2.gz QDDNCFGGPBHWLA-CZUORRHYSA-N 0 3 381.444 0.619 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574718014 949755390 /nfs/dbraw/zinc/75/53/90/949755390.db2.gz REFXYMAQUPGIIH-VXGBXAGGSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576171293 949758576 /nfs/dbraw/zinc/75/85/76/949758576.db2.gz QDDNCFGGPBHWLA-CJNGLKHVSA-N 0 3 381.444 0.619 20 0 GCADHN C[C@H](CN(C)C(=O)CCCC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574718201 949767814 /nfs/dbraw/zinc/76/78/14/949767814.db2.gz TUFUUZYJYVSZHS-LLVKDONJSA-N 0 3 377.424 0.598 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481159 949768341 /nfs/dbraw/zinc/76/83/41/949768341.db2.gz MXEFNSUCPQITDF-GXTWGEPZSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481159 949768359 /nfs/dbraw/zinc/76/83/59/949768359.db2.gz MXEFNSUCPQITDF-GXTWGEPZSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481159 949768378 /nfs/dbraw/zinc/76/83/78/949768378.db2.gz MXEFNSUCPQITDF-GXTWGEPZSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481159 949768394 /nfs/dbraw/zinc/76/83/94/949768394.db2.gz MXEFNSUCPQITDF-GXTWGEPZSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964240 949769550 /nfs/dbraw/zinc/76/95/50/949769550.db2.gz SJELVXOCYQCEGB-MJBXVCDLSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964240 949769565 /nfs/dbraw/zinc/76/95/65/949769565.db2.gz SJELVXOCYQCEGB-MJBXVCDLSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574964240 949769592 /nfs/dbraw/zinc/76/95/92/949769592.db2.gz SJELVXOCYQCEGB-MJBXVCDLSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574964240 949769623 /nfs/dbraw/zinc/76/96/23/949769623.db2.gz SJELVXOCYQCEGB-MJBXVCDLSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574964401 949774292 /nfs/dbraw/zinc/77/42/92/949774292.db2.gz VPLLGGURRBQCQG-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576172267 949795830 /nfs/dbraw/zinc/79/58/30/949795830.db2.gz WALAHXNWICFZHO-IUODEOHRSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576172267 949795845 /nfs/dbraw/zinc/79/58/45/949795845.db2.gz WALAHXNWICFZHO-IUODEOHRSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576172614 949811557 /nfs/dbraw/zinc/81/15/57/949811557.db2.gz YAAPXDNPDVTFHJ-SWLSCSKDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576172614 949811570 /nfs/dbraw/zinc/81/15/70/949811570.db2.gz YAAPXDNPDVTFHJ-SWLSCSKDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482004 949815060 /nfs/dbraw/zinc/81/50/60/949815060.db2.gz YMUXJTRNKZVUKF-PWSUYJOCSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574482004 949815078 /nfs/dbraw/zinc/81/50/78/949815078.db2.gz YMUXJTRNKZVUKF-PWSUYJOCSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574721420 949816925 /nfs/dbraw/zinc/81/69/25/949816925.db2.gz LCUSCROGODNEAX-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574721420 949816943 /nfs/dbraw/zinc/81/69/43/949816943.db2.gz LCUSCROGODNEAX-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001576172857 949823539 /nfs/dbraw/zinc/82/35/39/949823539.db2.gz YSQVJRAJCFSKQE-STQMWFEESA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001576172857 949823562 /nfs/dbraw/zinc/82/35/62/949823562.db2.gz YSQVJRAJCFSKQE-STQMWFEESA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001575281980 949828002 /nfs/dbraw/zinc/82/80/02/949828002.db2.gz ISVQMMYDTZDPGD-NSHDSACASA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574722159 949832517 /nfs/dbraw/zinc/83/25/17/949832517.db2.gz QJGXMZGGHWMJIZ-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@@H](CN(C)C(=O)CCN1CCOCC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574722545 949839406 /nfs/dbraw/zinc/83/94/06/949839406.db2.gz URNPXRVKCXTOQA-HNNXBMFYSA-N 0 3 387.488 0.526 20 0 GCADHN C[C@H](CN(C)C(=O)CCN1CCOCC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574722546 949840922 /nfs/dbraw/zinc/84/09/22/949840922.db2.gz URNPXRVKCXTOQA-OAHLLOKOSA-N 0 3 387.488 0.526 20 0 GCADHN C[C@H](CNC(=O)c1c2c(nn1C)CCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574967253 949864165 /nfs/dbraw/zinc/86/41/65/949864165.db2.gz FSILYJMAOAXTHZ-GFCCVEGCSA-N 0 3 380.456 0.997 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC001574967102 949865221 /nfs/dbraw/zinc/86/52/21/949865221.db2.gz FEOROHHRKRXYML-RYUDHWBXSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574484242 949871536 /nfs/dbraw/zinc/87/15/36/949871536.db2.gz GFXMJMWAUHYQHH-IUODEOHRSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574484242 949871556 /nfs/dbraw/zinc/87/15/56/949871556.db2.gz GFXMJMWAUHYQHH-IUODEOHRSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574724852 949875250 /nfs/dbraw/zinc/87/52/50/949875250.db2.gz KQBNHLZCMMUDKW-LLVKDONJSA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H]([NH2+]C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)N1CCC(C)CC1 ZINC001576178339 949886183 /nfs/dbraw/zinc/88/61/83/949886183.db2.gz HSSRBWMBFSIXDR-QWHCGFSZSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143324 949890047 /nfs/dbraw/zinc/89/00/47/949890047.db2.gz GIWUVPNAECUJDB-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143324 949890066 /nfs/dbraw/zinc/89/00/66/949890066.db2.gz GIWUVPNAECUJDB-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143324 949890080 /nfs/dbraw/zinc/89/00/80/949890080.db2.gz GIWUVPNAECUJDB-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143324 949890098 /nfs/dbraw/zinc/89/00/98/949890098.db2.gz GIWUVPNAECUJDB-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(N)=O ZINC001574484806 949905178 /nfs/dbraw/zinc/90/51/78/949905178.db2.gz OSKMGKJKCSBJCC-IUODEOHRSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(N)=O ZINC001574484806 949905198 /nfs/dbraw/zinc/90/51/98/949905198.db2.gz OSKMGKJKCSBJCC-IUODEOHRSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284545 949905348 /nfs/dbraw/zinc/90/53/48/949905348.db2.gz JHZLQRAEDKZJLR-VXGBXAGGSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284545 949905361 /nfs/dbraw/zinc/90/53/61/949905361.db2.gz JHZLQRAEDKZJLR-VXGBXAGGSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001575284540 949906218 /nfs/dbraw/zinc/90/62/18/949906218.db2.gz JHZLQRAEDKZJLR-NEPJUHHUSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001575284540 949906233 /nfs/dbraw/zinc/90/62/33/949906233.db2.gz JHZLQRAEDKZJLR-NEPJUHHUSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484874 949907520 /nfs/dbraw/zinc/90/75/20/949907520.db2.gz QJUVTJIEGLSAKD-TZMCWYRMSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484874 949907539 /nfs/dbraw/zinc/90/75/39/949907539.db2.gz QJUVTJIEGLSAKD-TZMCWYRMSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574725691 949908115 /nfs/dbraw/zinc/90/81/15/949908115.db2.gz ASAJFIRHJVUMBU-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574725691 949908130 /nfs/dbraw/zinc/90/81/30/949908130.db2.gz ASAJFIRHJVUMBU-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574725717 949908974 /nfs/dbraw/zinc/90/89/74/949908974.db2.gz BPMUCGAAKOKSRK-IUODEOHRSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574725717 949908989 /nfs/dbraw/zinc/90/89/89/949908989.db2.gz BPMUCGAAKOKSRK-IUODEOHRSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576179049 949909594 /nfs/dbraw/zinc/90/95/94/949909594.db2.gz JNWOAVBDEXBMIX-CYBMUJFWSA-N 0 3 388.476 0.600 20 0 GCADHN C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576179049 949909608 /nfs/dbraw/zinc/90/96/08/949909608.db2.gz JNWOAVBDEXBMIX-CYBMUJFWSA-N 0 3 388.476 0.600 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574725709 949910987 /nfs/dbraw/zinc/91/09/87/949910987.db2.gz BKVKCUHAKDLZQC-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574725709 949911002 /nfs/dbraw/zinc/91/10/02/949911002.db2.gz BKVKCUHAKDLZQC-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H]([NH2+]C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)N1CCC(C)CC1 ZINC001576179353 949913088 /nfs/dbraw/zinc/91/30/88/949913088.db2.gz KZYUMZLVHROXLI-QWHCGFSZSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574725892 949913715 /nfs/dbraw/zinc/91/37/15/949913715.db2.gz VNSZOHPXUAXHRL-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574725892 949913730 /nfs/dbraw/zinc/91/37/30/949913730.db2.gz VNSZOHPXUAXHRL-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574725855 949916179 /nfs/dbraw/zinc/91/61/79/949916179.db2.gz CUXUAAGYOWSHBQ-GOEBONIOSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574725855 949916200 /nfs/dbraw/zinc/91/62/00/949916200.db2.gz CUXUAAGYOWSHBQ-GOEBONIOSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574725942 949917790 /nfs/dbraw/zinc/91/77/90/949917790.db2.gz DNQFGIPUZFECJC-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574725942 949917802 /nfs/dbraw/zinc/91/78/02/949917802.db2.gz DNQFGIPUZFECJC-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574485686 949925688 /nfs/dbraw/zinc/92/56/88/949925688.db2.gz YUVKVJVTWRVSBG-ZIAGYGMSSA-N 0 3 381.444 0.934 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574726224 949929335 /nfs/dbraw/zinc/92/93/35/949929335.db2.gz HAMCPMOUIOZQBF-ZDUSSCGKSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574726224 949929350 /nfs/dbraw/zinc/92/93/50/949929350.db2.gz HAMCPMOUIOZQBF-ZDUSSCGKSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCCC[NH+](C)C ZINC001575889536 949930068 /nfs/dbraw/zinc/93/00/68/949930068.db2.gz SGSWSHLJBYNMLX-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCCC[NH+](C)C ZINC001575889536 949930087 /nfs/dbraw/zinc/93/00/87/949930087.db2.gz SGSWSHLJBYNMLX-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCCC[NH+](C)C ZINC001575889534 949931149 /nfs/dbraw/zinc/93/11/49/949931149.db2.gz SGSWSHLJBYNMLX-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCCC[NH+](C)C ZINC001575889534 949931169 /nfs/dbraw/zinc/93/11/69/949931169.db2.gz SGSWSHLJBYNMLX-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575889586 949933061 /nfs/dbraw/zinc/93/30/61/949933061.db2.gz SQKVRQUMYXNNII-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575889586 949933068 /nfs/dbraw/zinc/93/30/68/949933068.db2.gz SQKVRQUMYXNNII-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](NC(=O)C[NH2+][C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)C1CC1 ZINC001575285146 949938581 /nfs/dbraw/zinc/93/85/81/949938581.db2.gz ZDSNRRCCTJHCIM-MEBBXXQBSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574488421 949948605 /nfs/dbraw/zinc/94/86/05/949948605.db2.gz FRBVYSJPCOKQKA-LALPHHSUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574488421 949948613 /nfs/dbraw/zinc/94/86/13/949948613.db2.gz FRBVYSJPCOKQKA-LALPHHSUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574727299 949958297 /nfs/dbraw/zinc/95/82/97/949958297.db2.gz RLZHDNYBXHZKRL-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574727299 949958312 /nfs/dbraw/zinc/95/83/12/949958312.db2.gz RLZHDNYBXHZKRL-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN CC1CCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001576180551 949959308 /nfs/dbraw/zinc/95/93/08/949959308.db2.gz FCGHSMQBWDODSL-OKILXGFUSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576180578 949966463 /nfs/dbraw/zinc/96/64/63/949966463.db2.gz FIBWIOAFOFTDFO-CYBMUJFWSA-N 0 3 388.476 0.409 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574974703 949996979 /nfs/dbraw/zinc/99/69/79/949996979.db2.gz RYJWPHTULISGSH-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574974703 949996994 /nfs/dbraw/zinc/99/69/94/949996994.db2.gz RYJWPHTULISGSH-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[NH+](C)C ZINC001574149541 950010849 /nfs/dbraw/zinc/01/08/49/950010849.db2.gz WBECGNGNHOHDGI-CYBMUJFWSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[NH+](C)C ZINC001574149541 950010870 /nfs/dbraw/zinc/01/08/70/950010870.db2.gz WBECGNGNHOHDGI-CYBMUJFWSA-N 0 3 376.465 0.407 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575891725 950026516 /nfs/dbraw/zinc/02/65/16/950026516.db2.gz NEXLSFPBAXGOIF-NEPJUHHUSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575891725 950026530 /nfs/dbraw/zinc/02/65/30/950026530.db2.gz NEXLSFPBAXGOIF-NEPJUHHUSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1cnn(C)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574730999 950041373 /nfs/dbraw/zinc/04/13/73/950041373.db2.gz VETGZOCKURCPAY-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1cnn(C)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574730999 950041397 /nfs/dbraw/zinc/04/13/97/950041397.db2.gz VETGZOCKURCPAY-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1ccn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574730994 950044455 /nfs/dbraw/zinc/04/44/55/950044455.db2.gz VBAJHQZEPREOEW-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1ccn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574730994 950044478 /nfs/dbraw/zinc/04/44/78/950044478.db2.gz VBAJHQZEPREOEW-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN CC(C)C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150923 950046638 /nfs/dbraw/zinc/04/66/38/950046638.db2.gz HBYDTDUXDYALBK-DGCLKSJQSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCCOC1 ZINC001575575282 950051275 /nfs/dbraw/zinc/05/12/75/950051275.db2.gz IDAYEDHARHZQBK-KSSFIOAISA-N 0 3 392.435 0.389 20 0 GCADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCCOC1 ZINC001575575282 950051298 /nfs/dbraw/zinc/05/12/98/950051298.db2.gz IDAYEDHARHZQBK-KSSFIOAISA-N 0 3 392.435 0.389 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574976281 950065892 /nfs/dbraw/zinc/06/58/92/950065892.db2.gz PEMZNIHNVMVPKD-CYBMUJFWSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574976281 950065911 /nfs/dbraw/zinc/06/59/11/950065911.db2.gz PEMZNIHNVMVPKD-CYBMUJFWSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574732865 950082463 /nfs/dbraw/zinc/08/24/63/950082463.db2.gz LKEXILULXPCSHI-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574151577 950084424 /nfs/dbraw/zinc/08/44/24/950084424.db2.gz VOTXJEPEKQIUQF-GJZGRUSLSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574151577 950084442 /nfs/dbraw/zinc/08/44/42/950084442.db2.gz VOTXJEPEKQIUQF-GJZGRUSLSA-N 0 3 386.460 0.169 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574733203 950099969 /nfs/dbraw/zinc/09/99/69/950099969.db2.gz VMZGRZNOQPSNIR-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001574976792 950101627 /nfs/dbraw/zinc/10/16/27/950101627.db2.gz AVDLQDWDDSTEQW-AAEUAGOBSA-N 0 3 383.412 0.743 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)Cn1cncn1 ZINC001574153334 950137305 /nfs/dbraw/zinc/13/73/05/950137305.db2.gz RYLPGGWJRNPAPL-INIZCTEOSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)Cn1cncn1 ZINC001574153334 950137320 /nfs/dbraw/zinc/13/73/20/950137320.db2.gz RYLPGGWJRNPAPL-INIZCTEOSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574734733 950142511 /nfs/dbraw/zinc/14/25/11/950142511.db2.gz PHXIDVSOXKTBMH-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574734733 950142522 /nfs/dbraw/zinc/14/25/22/950142522.db2.gz PHXIDVSOXKTBMH-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001574979164 950146332 /nfs/dbraw/zinc/14/63/32/950146332.db2.gz WYKRWLPHPZRLCU-CJNGLKHVSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001574979164 950146347 /nfs/dbraw/zinc/14/63/47/950146347.db2.gz WYKRWLPHPZRLCU-CJNGLKHVSA-N 0 3 383.456 0.896 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574153548 950147596 /nfs/dbraw/zinc/14/75/96/950147596.db2.gz VAJUJBWXIYMXJF-UKRRQHHQSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574153548 950147614 /nfs/dbraw/zinc/14/76/14/950147614.db2.gz VAJUJBWXIYMXJF-UKRRQHHQSA-N 0 3 386.460 0.169 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574738085 950162715 /nfs/dbraw/zinc/16/27/15/950162715.db2.gz BRGGRWRXOMGOOY-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574738085 950162725 /nfs/dbraw/zinc/16/27/25/950162725.db2.gz BRGGRWRXOMGOOY-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001574738925 950178765 /nfs/dbraw/zinc/17/87/65/950178765.db2.gz JDXNQBSRLMAANJ-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001574738925 950178785 /nfs/dbraw/zinc/17/87/85/950178785.db2.gz JDXNQBSRLMAANJ-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC001574738927 950179710 /nfs/dbraw/zinc/17/97/10/950179710.db2.gz JDXNQBSRLMAANJ-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC001574738927 950179716 /nfs/dbraw/zinc/17/97/16/950179716.db2.gz JDXNQBSRLMAANJ-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573844605 950203318 /nfs/dbraw/zinc/20/33/18/950203318.db2.gz CQIXDZPAFAAUQA-HAQNSBGRSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001576191677 950204791 /nfs/dbraw/zinc/20/47/91/950204791.db2.gz HRXOYOQSQVBHCG-ZDUSSCGKSA-N 0 3 387.463 0.990 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001576191677 950204802 /nfs/dbraw/zinc/20/48/02/950204802.db2.gz HRXOYOQSQVBHCG-ZDUSSCGKSA-N 0 3 387.463 0.990 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)C12CCC[NH+]1CCC2 ZINC001574983209 950206910 /nfs/dbraw/zinc/20/69/10/950206910.db2.gz MNRLHHQQTGONAM-GFCCVEGCSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)C12CCC[NH+]1CCC2 ZINC001574983209 950206924 /nfs/dbraw/zinc/20/69/24/950206924.db2.gz MNRLHHQQTGONAM-GFCCVEGCSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983326 950216239 /nfs/dbraw/zinc/21/62/39/950216239.db2.gz NKJSHGSIOHRMQH-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983326 950216252 /nfs/dbraw/zinc/21/62/52/950216252.db2.gz NKJSHGSIOHRMQH-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983623 950230204 /nfs/dbraw/zinc/23/02/04/950230204.db2.gz QNXCMJQBHKTVBT-SWLSCSKDSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983623 950230224 /nfs/dbraw/zinc/23/02/24/950230224.db2.gz QNXCMJQBHKTVBT-SWLSCSKDSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574741164 950236694 /nfs/dbraw/zinc/23/66/94/950236694.db2.gz HEIUQVKSLJBAPR-FZZIBODNSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574741164 950236715 /nfs/dbraw/zinc/23/67/15/950236715.db2.gz HEIUQVKSLJBAPR-FZZIBODNSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576192321 950237537 /nfs/dbraw/zinc/23/75/37/950237537.db2.gz NIGFAXPVHYZPFQ-QWHCGFSZSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576192321 950237553 /nfs/dbraw/zinc/23/75/53/950237553.db2.gz NIGFAXPVHYZPFQ-QWHCGFSZSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575901823 950240158 /nfs/dbraw/zinc/24/01/58/950240158.db2.gz QICQYJXHCULZJY-JSGCOSHPSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1ccnc1 ZINC001574497903 950247719 /nfs/dbraw/zinc/24/77/19/950247719.db2.gz GABLOHOHZZNJEV-NEPJUHHUSA-N 0 3 390.473 0.343 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1ccnc1 ZINC001574497903 950247737 /nfs/dbraw/zinc/24/77/37/950247737.db2.gz GABLOHOHZZNJEV-NEPJUHHUSA-N 0 3 390.473 0.343 20 0 GCADHN C[C@@H]1[C@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575902088 950250504 /nfs/dbraw/zinc/25/05/04/950250504.db2.gz SEHAVKKOANHVDT-TZMCWYRMSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574984091 950257674 /nfs/dbraw/zinc/25/76/74/950257674.db2.gz WKPZPHSPEWAQNW-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574984091 950257688 /nfs/dbraw/zinc/25/76/88/950257688.db2.gz WKPZPHSPEWAQNW-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574984091 950257712 /nfs/dbraw/zinc/25/77/12/950257712.db2.gz WKPZPHSPEWAQNW-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574984091 950257729 /nfs/dbraw/zinc/25/77/29/950257729.db2.gz WKPZPHSPEWAQNW-AGIUHOORSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573849870 950264213 /nfs/dbraw/zinc/26/42/13/950264213.db2.gz DJAGOJNQRUSGFN-GFCCVEGCSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001574984419 950269219 /nfs/dbraw/zinc/26/92/19/950269219.db2.gz ZJQMJPFFKJJXQT-RISCZKNCSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001574984419 950269239 /nfs/dbraw/zinc/26/92/39/950269239.db2.gz ZJQMJPFFKJJXQT-RISCZKNCSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001574984420 950271353 /nfs/dbraw/zinc/27/13/53/950271353.db2.gz ZJQMJPFFKJJXQT-SMDDNHRTSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001574984420 950271377 /nfs/dbraw/zinc/27/13/77/950271377.db2.gz ZJQMJPFFKJJXQT-SMDDNHRTSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576193223 950285527 /nfs/dbraw/zinc/28/55/27/950285527.db2.gz SRKSZOQVYTWJDK-TZMCWYRMSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576193223 950285545 /nfs/dbraw/zinc/28/55/45/950285545.db2.gz SRKSZOQVYTWJDK-TZMCWYRMSA-N 0 3 383.460 0.816 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+]CC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573851165 950289612 /nfs/dbraw/zinc/28/96/12/950289612.db2.gz SYTCECQTKDIVLU-PLNGDYQASA-N 0 3 389.464 0.168 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+]CC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573851165 950289632 /nfs/dbraw/zinc/28/96/32/950289632.db2.gz SYTCECQTKDIVLU-PLNGDYQASA-N 0 3 389.464 0.168 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576193252 950290371 /nfs/dbraw/zinc/29/03/71/950290371.db2.gz TZQQRORXPDWAKJ-GXTWGEPZSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576193252 950290388 /nfs/dbraw/zinc/29/03/88/950290388.db2.gz TZQQRORXPDWAKJ-GXTWGEPZSA-N 0 3 386.460 0.115 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]CC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573851377 950291915 /nfs/dbraw/zinc/29/19/15/950291915.db2.gz WPMULKYDMPMFGG-UHFFFAOYSA-N 0 3 388.476 0.742 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573851565 950297123 /nfs/dbraw/zinc/29/71/23/950297123.db2.gz ZWQRKSHGWUNSEW-DGCLKSJQSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@H+](C)C[C@H](O)CC(F)(F)F ZINC001574987629 950299056 /nfs/dbraw/zinc/29/90/56/950299056.db2.gz GLPZYWDZAMVDKS-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCNC(N)=O ZINC001575905744 950298796 /nfs/dbraw/zinc/29/87/96/950298796.db2.gz DYODNQNZYQBBHW-YGRLFVJLSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCNC(N)=O ZINC001575905744 950298815 /nfs/dbraw/zinc/29/88/15/950298815.db2.gz DYODNQNZYQBBHW-YGRLFVJLSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC001574987629 950299077 /nfs/dbraw/zinc/29/90/77/950299077.db2.gz GLPZYWDZAMVDKS-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@H+](C)C[C@H](O)CC(F)(F)F ZINC001574987629 950299093 /nfs/dbraw/zinc/29/90/93/950299093.db2.gz GLPZYWDZAMVDKS-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC001574987629 950299109 /nfs/dbraw/zinc/29/91/09/950299109.db2.gz GLPZYWDZAMVDKS-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574987809 950303223 /nfs/dbraw/zinc/30/32/23/950303223.db2.gz HORHROWSLFOXFD-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574987809 950303246 /nfs/dbraw/zinc/30/32/46/950303246.db2.gz HORHROWSLFOXFD-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574987809 950303266 /nfs/dbraw/zinc/30/32/66/950303266.db2.gz HORHROWSLFOXFD-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574987809 950303289 /nfs/dbraw/zinc/30/32/89/950303289.db2.gz HORHROWSLFOXFD-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575906019 950304712 /nfs/dbraw/zinc/30/47/12/950304712.db2.gz FYXZDYGBIIGKAU-ROUWPORVSA-N 0 3 386.431 0.977 20 0 GCADHN C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCC1)NC(N)=O ZINC001574500243 950306519 /nfs/dbraw/zinc/30/65/19/950306519.db2.gz YOZOLDHNEMWIAK-GFCCVEGCSA-N 0 3 386.460 0.442 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574742889 950307475 /nfs/dbraw/zinc/30/74/75/950307475.db2.gz QCGSIIPGWHODIV-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001576193738 950311152 /nfs/dbraw/zinc/31/11/52/950311152.db2.gz WPSUXNHHIPTANH-JSGCOSHPSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001576193738 950311175 /nfs/dbraw/zinc/31/11/75/950311175.db2.gz WPSUXNHHIPTANH-JSGCOSHPSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cccn1 ZINC001575906508 950312650 /nfs/dbraw/zinc/31/26/50/950312650.db2.gz IKEOFPBHFDKWFX-LRDDRELGSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCCC(N)=O ZINC001575906568 950317161 /nfs/dbraw/zinc/31/71/61/950317161.db2.gz JHFOHYHFNQVUQL-IAQYHMDHSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[NH+]1CCCCC1 ZINC001574743367 950325342 /nfs/dbraw/zinc/32/53/42/950325342.db2.gz SCYVBCNXIKXACM-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[NH+]1CCCCC1 ZINC001574743367 950325364 /nfs/dbraw/zinc/32/53/64/950325364.db2.gz SCYVBCNXIKXACM-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN CC(C)[C@H](C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574744100 950343098 /nfs/dbraw/zinc/34/30/98/950343098.db2.gz WSOBIJJBVKNXEM-SMDDNHRTSA-N 0 3 376.465 0.358 20 0 GCADHN CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573854684 950345118 /nfs/dbraw/zinc/34/51/18/950345118.db2.gz BYWNYSXQPPKHOH-KRWDZBQOSA-N 0 3 392.439 0.253 20 0 GCADHN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573854684 950345137 /nfs/dbraw/zinc/34/51/37/950345137.db2.gz BYWNYSXQPPKHOH-KRWDZBQOSA-N 0 3 392.439 0.253 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574988822 950349875 /nfs/dbraw/zinc/34/98/75/950349875.db2.gz VQSQKXAKWUNZBL-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574988822 950349894 /nfs/dbraw/zinc/34/98/94/950349894.db2.gz VQSQKXAKWUNZBL-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001574988856 950351837 /nfs/dbraw/zinc/35/18/37/950351837.db2.gz WCVWNNLJTHRCJD-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001574988856 950351854 /nfs/dbraw/zinc/35/18/54/950351854.db2.gz WCVWNNLJTHRCJD-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN CC1CC[NH+](CC(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001576196263 950354806 /nfs/dbraw/zinc/35/48/06/950354806.db2.gz BVAKXIBRLDYGNC-AWEZNQCLSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cncn1 ZINC001575908264 950358715 /nfs/dbraw/zinc/35/87/15/950358715.db2.gz TWRVHXAAVJJYNA-ABAIWWIYSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cncn1 ZINC001575908264 950358733 /nfs/dbraw/zinc/35/87/33/950358733.db2.gz TWRVHXAAVJJYNA-ABAIWWIYSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001574744596 950360981 /nfs/dbraw/zinc/36/09/81/950360981.db2.gz ZUUMNOHSOXUPEX-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001574744596 950360998 /nfs/dbraw/zinc/36/09/98/950360998.db2.gz ZUUMNOHSOXUPEX-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196282 950362500 /nfs/dbraw/zinc/36/25/00/950362500.db2.gz CGAOPXTUJSGEFB-KGLIPLIRSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)CC(F)(F)F ZINC001574744771 950364934 /nfs/dbraw/zinc/36/49/34/950364934.db2.gz AVDKAWNRHIDYKA-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)CC(F)(F)F ZINC001574744771 950364956 /nfs/dbraw/zinc/36/49/56/950364956.db2.gz AVDKAWNRHIDYKA-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576196710 950369393 /nfs/dbraw/zinc/36/93/93/950369393.db2.gz GDJOCQARHFCDMS-STQMWFEESA-N 0 3 386.460 0.115 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576196710 950369408 /nfs/dbraw/zinc/36/94/08/950369408.db2.gz GDJOCQARHFCDMS-STQMWFEESA-N 0 3 386.460 0.115 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)C(=O)NCC1CC1 ZINC001575908546 950370354 /nfs/dbraw/zinc/37/03/54/950370354.db2.gz UYGRYFQXHPLNIU-MLGOLLRUSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575908679 950374330 /nfs/dbraw/zinc/37/43/30/950374330.db2.gz CYTOPWZTEFKRSN-NHYWBVRUSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575908679 950374349 /nfs/dbraw/zinc/37/43/49/950374349.db2.gz CYTOPWZTEFKRSN-NHYWBVRUSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)C1=COCCO1 ZINC001575908847 950376241 /nfs/dbraw/zinc/37/62/41/950376241.db2.gz WEEAHVCIMNOIJT-XHDPSFHLSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574745225 950376576 /nfs/dbraw/zinc/37/65/76/950376576.db2.gz HJRFGITWSMVJDL-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574745225 950376595 /nfs/dbraw/zinc/37/65/95/950376595.db2.gz HJRFGITWSMVJDL-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574745226 950377532 /nfs/dbraw/zinc/37/75/32/950377532.db2.gz HJRFGITWSMVJDL-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574745226 950377558 /nfs/dbraw/zinc/37/75/58/950377558.db2.gz HJRFGITWSMVJDL-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576197406 950388314 /nfs/dbraw/zinc/38/83/14/950388314.db2.gz NERWYMSGHKQUQW-ZIAGYGMSSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576197406 950388334 /nfs/dbraw/zinc/38/83/34/950388334.db2.gz NERWYMSGHKQUQW-ZIAGYGMSSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576197442 950392036 /nfs/dbraw/zinc/39/20/36/950392036.db2.gz OAHJFQIZPVQXQU-KBPBESRZSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576197478 950397827 /nfs/dbraw/zinc/39/78/27/950397827.db2.gz OSPMSNGOOCMRKM-ZDUSSCGKSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576197478 950397848 /nfs/dbraw/zinc/39/78/48/950397848.db2.gz OSPMSNGOOCMRKM-ZDUSSCGKSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909641 950404818 /nfs/dbraw/zinc/40/48/18/950404818.db2.gz ZXYJCQJGBNGUFU-SWLSCSKDSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576198377 950408942 /nfs/dbraw/zinc/40/89/42/950408942.db2.gz SGBCTMNQBNCTIM-JSGCOSHPSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576198377 950408952 /nfs/dbraw/zinc/40/89/52/950408952.db2.gz SGBCTMNQBNCTIM-JSGCOSHPSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cncn1 ZINC001575909923 950410687 /nfs/dbraw/zinc/41/06/87/950410687.db2.gz JDWKACWFAYASLW-CJNGLKHVSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cncn1 ZINC001575909923 950410702 /nfs/dbraw/zinc/41/07/02/950410702.db2.gz JDWKACWFAYASLW-CJNGLKHVSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198909 950412106 /nfs/dbraw/zinc/41/21/06/950412106.db2.gz WLNHHMZOKKUWRO-KBPBESRZSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198909 950412116 /nfs/dbraw/zinc/41/21/16/950412116.db2.gz WLNHHMZOKKUWRO-KBPBESRZSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575910122 950414185 /nfs/dbraw/zinc/41/41/85/950414185.db2.gz JZUHJJLERMEKPR-SMDDNHRTSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575910122 950414195 /nfs/dbraw/zinc/41/41/95/950414195.db2.gz JZUHJJLERMEKPR-SMDDNHRTSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575910371 950416366 /nfs/dbraw/zinc/41/63/66/950416366.db2.gz KHQWZYZZKJEQJT-SMDDNHRTSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575910371 950416376 /nfs/dbraw/zinc/41/63/76/950416376.db2.gz KHQWZYZZKJEQJT-SMDDNHRTSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575910368 950416731 /nfs/dbraw/zinc/41/67/31/950416731.db2.gz KHQWZYZZKJEQJT-BXUZGUMPSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575910368 950416746 /nfs/dbraw/zinc/41/67/46/950416746.db2.gz KHQWZYZZKJEQJT-BXUZGUMPSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CCNC(=O)NC(C)(C)C ZINC001574747833 950418183 /nfs/dbraw/zinc/41/81/83/950418183.db2.gz YPDWSKIFXSNVOH-NSHDSACASA-N 0 3 391.480 0.343 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CCNC(=O)NC(C)(C)C ZINC001574747833 950418198 /nfs/dbraw/zinc/41/81/98/950418198.db2.gz YPDWSKIFXSNVOH-NSHDSACASA-N 0 3 391.480 0.343 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199507 950425344 /nfs/dbraw/zinc/42/53/44/950425344.db2.gz ZVIZQGSGIDHUQB-UGSOOPFHSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199507 950425357 /nfs/dbraw/zinc/42/53/57/950425357.db2.gz ZVIZQGSGIDHUQB-UGSOOPFHSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001574506437 950431412 /nfs/dbraw/zinc/43/14/12/950431412.db2.gz DJQHJUSQCXSFKP-UWVGGRQHSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001576202824 950434591 /nfs/dbraw/zinc/43/45/91/950434591.db2.gz CESFMXHAMQQTGI-CQSZACIVSA-N 0 3 387.463 0.992 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001576202824 950434599 /nfs/dbraw/zinc/43/45/99/950434599.db2.gz CESFMXHAMQQTGI-CQSZACIVSA-N 0 3 387.463 0.992 20 0 GCADHN C[C@@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574506606 950436133 /nfs/dbraw/zinc/43/61/33/950436133.db2.gz AKRHRJOTOAGUBD-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574506606 950436147 /nfs/dbraw/zinc/43/61/47/950436147.db2.gz AKRHRJOTOAGUBD-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCn1ccnn1 ZINC001575911666 950452281 /nfs/dbraw/zinc/45/22/81/950452281.db2.gz OYUSAPFRZDQEFW-BBRMVZONSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCn1ccnn1 ZINC001575911666 950452287 /nfs/dbraw/zinc/45/22/87/950452287.db2.gz OYUSAPFRZDQEFW-BBRMVZONSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1nccnc1N ZINC001575911770 950452409 /nfs/dbraw/zinc/45/24/09/950452409.db2.gz PXYNVGGALNSEKX-SMDDNHRTSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1nccnc1N ZINC001575911770 950452416 /nfs/dbraw/zinc/45/24/16/950452416.db2.gz PXYNVGGALNSEKX-SMDDNHRTSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576204615 950469110 /nfs/dbraw/zinc/46/91/10/950469110.db2.gz QPHJQLJCKWOZIA-HSBZDZAISA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576204615 950469124 /nfs/dbraw/zinc/46/91/24/950469124.db2.gz QPHJQLJCKWOZIA-HSBZDZAISA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576204712 950472138 /nfs/dbraw/zinc/47/21/38/950472138.db2.gz AXMDBLQIAPFKFD-ZDUSSCGKSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576204712 950472150 /nfs/dbraw/zinc/47/21/50/950472150.db2.gz AXMDBLQIAPFKFD-ZDUSSCGKSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001574993903 950472115 /nfs/dbraw/zinc/47/21/15/950472115.db2.gz NHLGVIMBHXHWHF-AAEUAGOBSA-N 0 3 383.412 0.743 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001574993903 950472132 /nfs/dbraw/zinc/47/21/32/950472132.db2.gz NHLGVIMBHXHWHF-AAEUAGOBSA-N 0 3 383.412 0.743 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CN1CCOCC1 ZINC001575912936 950473703 /nfs/dbraw/zinc/47/37/03/950473703.db2.gz RULPLGCOMZQOPC-WMLDXEAASA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CN1CCOCC1 ZINC001575912936 950473722 /nfs/dbraw/zinc/47/37/22/950473722.db2.gz RULPLGCOMZQOPC-WMLDXEAASA-N 0 3 385.472 0.278 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CN1CCOCC1 ZINC001575912934 950474567 /nfs/dbraw/zinc/47/45/67/950474567.db2.gz RULPLGCOMZQOPC-RHSMWYFYSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204733 950474408 /nfs/dbraw/zinc/47/44/08/950474408.db2.gz BHFHUZBTDCVVCL-KBPBESRZSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204733 950474417 /nfs/dbraw/zinc/47/44/17/950474417.db2.gz BHFHUZBTDCVVCL-KBPBESRZSA-N 0 3 385.476 0.331 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574752133 950474663 /nfs/dbraw/zinc/47/46/63/950474663.db2.gz UDJHOXDQCLPKNV-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574752133 950474671 /nfs/dbraw/zinc/47/46/71/950474671.db2.gz UDJHOXDQCLPKNV-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CN1CCOCC1 ZINC001575912934 950474575 /nfs/dbraw/zinc/47/45/75/950474575.db2.gz RULPLGCOMZQOPC-RHSMWYFYSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574752335 950476152 /nfs/dbraw/zinc/47/61/52/950476152.db2.gz BBHKVOAROSVQBL-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001576204816 950477829 /nfs/dbraw/zinc/47/78/29/950477829.db2.gz RLPCIVKBPBQCRG-UBHSHLNASA-N 0 3 386.435 0.532 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001576204816 950477848 /nfs/dbraw/zinc/47/78/48/950477848.db2.gz RLPCIVKBPBQCRG-UBHSHLNASA-N 0 3 386.435 0.532 20 0 GCADHN CC1CC[NH+](CC(=O)N2CC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CC1 ZINC001576204888 950483701 /nfs/dbraw/zinc/48/37/01/950483701.db2.gz RYLJFXDYUUPQLP-LSDHHAIUSA-N 0 3 397.487 0.426 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574752586 950491106 /nfs/dbraw/zinc/49/11/06/950491106.db2.gz DFSFEHCSYWCFHH-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575914567 950497471 /nfs/dbraw/zinc/49/74/71/950497471.db2.gz VDVQJJVQVNQYCT-BXUZGUMPSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575914567 950497483 /nfs/dbraw/zinc/49/74/83/950497483.db2.gz VDVQJJVQVNQYCT-BXUZGUMPSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576205184 950502478 /nfs/dbraw/zinc/50/24/78/950502478.db2.gz GWPAHAPKIMLGHX-KGLIPLIRSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576205184 950502504 /nfs/dbraw/zinc/50/25/04/950502504.db2.gz GWPAHAPKIMLGHX-KGLIPLIRSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574995403 950510124 /nfs/dbraw/zinc/51/01/24/950510124.db2.gz FPTZCFRPQVPVPD-JTQLQIEISA-N 0 3 386.391 0.008 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574995403 950510147 /nfs/dbraw/zinc/51/01/47/950510147.db2.gz FPTZCFRPQVPVPD-JTQLQIEISA-N 0 3 386.391 0.008 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575608113 950511266 /nfs/dbraw/zinc/51/12/66/950511266.db2.gz MZNFESHZDPPGEF-PJIJBLCYSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575608113 950511283 /nfs/dbraw/zinc/51/12/83/950511283.db2.gz MZNFESHZDPPGEF-PJIJBLCYSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576205963 950549953 /nfs/dbraw/zinc/54/99/53/950549953.db2.gz RVZCRRAWSIOWLG-CYBMUJFWSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576205963 950549965 /nfs/dbraw/zinc/54/99/65/950549965.db2.gz RVZCRRAWSIOWLG-CYBMUJFWSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)CC(F)(F)F ZINC001574753989 950554922 /nfs/dbraw/zinc/55/49/22/950554922.db2.gz JIJKVPDUFGATNX-DTWKUNHWSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)CC(F)(F)F ZINC001574753989 950554940 /nfs/dbraw/zinc/55/49/40/950554940.db2.gz JIJKVPDUFGATNX-DTWKUNHWSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574999083 950569110 /nfs/dbraw/zinc/56/91/10/950569110.db2.gz FYPZJQOAUVVPNC-SNVBAGLBSA-N 0 3 385.453 0.935 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574999083 950569127 /nfs/dbraw/zinc/56/91/27/950569127.db2.gz FYPZJQOAUVVPNC-SNVBAGLBSA-N 0 3 385.453 0.935 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574999298 950577701 /nfs/dbraw/zinc/57/77/01/950577701.db2.gz IYYUTLAXQBJHEX-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574999298 950577720 /nfs/dbraw/zinc/57/77/20/950577720.db2.gz IYYUTLAXQBJHEX-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574999298 950577743 /nfs/dbraw/zinc/57/77/43/950577743.db2.gz IYYUTLAXQBJHEX-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574999298 950577766 /nfs/dbraw/zinc/57/77/66/950577766.db2.gz IYYUTLAXQBJHEX-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1cc(CN(C)C)on1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574999667 950584802 /nfs/dbraw/zinc/58/48/02/950584802.db2.gz LHKOKJXOHMFYDT-LBPRGKRZSA-N 0 3 384.444 0.824 20 0 GCADHN C[C@@H](CNC(=O)c1cc(CN(C)C)on1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574999667 950584820 /nfs/dbraw/zinc/58/48/20/950584820.db2.gz LHKOKJXOHMFYDT-LBPRGKRZSA-N 0 3 384.444 0.824 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575000523 950608454 /nfs/dbraw/zinc/60/84/54/950608454.db2.gz QGKWZGGGVCFZHQ-JTQLQIEISA-N 0 3 385.453 0.935 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576214600 950679565 /nfs/dbraw/zinc/67/95/65/950679565.db2.gz QPHJQLJCKWOZIA-IHRRRGAJSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576214600 950679573 /nfs/dbraw/zinc/67/95/73/950679573.db2.gz QPHJQLJCKWOZIA-IHRRRGAJSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574519431 950681106 /nfs/dbraw/zinc/68/11/06/950681106.db2.gz VLTUANKTTZNAAC-UXIGCNINSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574519431 950681116 /nfs/dbraw/zinc/68/11/16/950681116.db2.gz VLTUANKTTZNAAC-UXIGCNINSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574761023 950687646 /nfs/dbraw/zinc/68/76/46/950687646.db2.gz QFXRHVAXUKQGKF-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574761023 950687663 /nfs/dbraw/zinc/68/76/63/950687663.db2.gz QFXRHVAXUKQGKF-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001575006862 950725308 /nfs/dbraw/zinc/72/53/08/950725308.db2.gz XFFOVQOHVGZWTO-LBPRGKRZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575008161 950738792 /nfs/dbraw/zinc/73/87/92/950738792.db2.gz CCKPICPOTJYYDO-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008937 950764404 /nfs/dbraw/zinc/76/44/04/950764404.db2.gz KVFGANXCQQKXSI-NWDGAFQWSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574521030 950765786 /nfs/dbraw/zinc/76/57/86/950765786.db2.gz CMZUSUDLSZWLBN-RYUDHWBXSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C1CS(=O)(=O)C1 ZINC001574521045 950766126 /nfs/dbraw/zinc/76/61/26/950766126.db2.gz CPJJBHWYCKLDSH-NWDGAFQWSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C1CS(=O)(=O)C1 ZINC001574521045 950766139 /nfs/dbraw/zinc/76/61/39/950766139.db2.gz CPJJBHWYCKLDSH-NWDGAFQWSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC001575009156 950775353 /nfs/dbraw/zinc/77/53/53/950775353.db2.gz OMOABSQMQCQCKP-STQMWFEESA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574766209 950810963 /nfs/dbraw/zinc/81/09/63/950810963.db2.gz LYLSZOQCKMKRRD-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CN(C)C(=O)c1nccnc1N)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574766180 950814152 /nfs/dbraw/zinc/81/41/52/950814152.db2.gz LLJKDVYEQANNBT-JTQLQIEISA-N 0 3 385.407 0.628 20 0 GCADHN C[C@@H](CN(C)C(=O)c1nccnc1N)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574766180 950814173 /nfs/dbraw/zinc/81/41/73/950814173.db2.gz LLJKDVYEQANNBT-JTQLQIEISA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574523652 950823082 /nfs/dbraw/zinc/82/30/82/950823082.db2.gz OVPNLZJLSVHSNO-NEPJUHHUSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574523652 950823113 /nfs/dbraw/zinc/82/31/13/950823113.db2.gz OVPNLZJLSVHSNO-NEPJUHHUSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523653 950823220 /nfs/dbraw/zinc/82/32/20/950823220.db2.gz OVPNLZJLSVHSNO-NWDGAFQWSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523653 950823243 /nfs/dbraw/zinc/82/32/43/950823243.db2.gz OVPNLZJLSVHSNO-NWDGAFQWSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001574523656 950824980 /nfs/dbraw/zinc/82/49/80/950824980.db2.gz OWZIECGXKRGSQG-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CCn1cncn1 ZINC001574523846 950832839 /nfs/dbraw/zinc/83/28/39/950832839.db2.gz REHXVHFKXFZBHV-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CCn1cncn1 ZINC001574523846 950832852 /nfs/dbraw/zinc/83/28/52/950832852.db2.gz REHXVHFKXFZBHV-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1cncn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574523845 950835370 /nfs/dbraw/zinc/83/53/70/950835370.db2.gz REHXVHFKXFZBHV-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1cncn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574523845 950835394 /nfs/dbraw/zinc/83/53/94/950835394.db2.gz REHXVHFKXFZBHV-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[N@H+](C)C[C@@H](O)Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767208 950843517 /nfs/dbraw/zinc/84/35/17/950843517.db2.gz NBYVOBFKNYLSDP-HIFRSBDPSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@@H](O)Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767208 950843533 /nfs/dbraw/zinc/84/35/33/950843533.db2.gz NBYVOBFKNYLSDP-HIFRSBDPSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)Cn1cncn1 ZINC001574524155 950844890 /nfs/dbraw/zinc/84/48/90/950844890.db2.gz UENULDPPEQYPML-NWDGAFQWSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)Cn1cncn1 ZINC001574524155 950844908 /nfs/dbraw/zinc/84/49/08/950844908.db2.gz UENULDPPEQYPML-NWDGAFQWSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)CCNC(N)=O ZINC001574524108 950845485 /nfs/dbraw/zinc/84/54/85/950845485.db2.gz TXBDNYBWRSWPJH-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)CCNC(N)=O ZINC001574524108 950845502 /nfs/dbraw/zinc/84/55/02/950845502.db2.gz TXBDNYBWRSWPJH-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576221559 950860275 /nfs/dbraw/zinc/86/02/75/950860275.db2.gz VNWABQJFADYZDN-GXTWGEPZSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)Cn1ncnn1 ZINC001574524490 950861489 /nfs/dbraw/zinc/86/14/89/950861489.db2.gz XINJMIVSMWQEBZ-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)Cn1ncnn1 ZINC001574524490 950861500 /nfs/dbraw/zinc/86/15/00/950861500.db2.gz XINJMIVSMWQEBZ-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CN1CCOCC1 ZINC001574524539 950865313 /nfs/dbraw/zinc/86/53/13/950865313.db2.gz XZQBSBJPOZHWEM-LSDHHAIUSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CN1CCOCC1 ZINC001574524539 950865326 /nfs/dbraw/zinc/86/53/26/950865326.db2.gz XZQBSBJPOZHWEM-LSDHHAIUSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@H](C[N@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767877 950869928 /nfs/dbraw/zinc/86/99/28/950869928.db2.gz QWVLCKUJEKONBN-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767877 950869938 /nfs/dbraw/zinc/86/99/38/950869938.db2.gz QWVLCKUJEKONBN-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[N@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767877 950869949 /nfs/dbraw/zinc/86/99/49/950869949.db2.gz QWVLCKUJEKONBN-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767877 950869959 /nfs/dbraw/zinc/86/99/59/950869959.db2.gz QWVLCKUJEKONBN-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)c1cn(C)nn1 ZINC001574527810 950908496 /nfs/dbraw/zinc/90/84/96/950908496.db2.gz HJOVUBRRMJOOIY-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cn(C)nn1)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574527809 950909948 /nfs/dbraw/zinc/90/99/48/950909948.db2.gz HJOVUBRRMJOOIY-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)c1cnnn1C ZINC001574528002 950919743 /nfs/dbraw/zinc/91/97/43/950919743.db2.gz JRRFGCLXZHVENI-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)c1cnnn1C ZINC001574528002 950919755 /nfs/dbraw/zinc/91/97/55/950919755.db2.gz JRRFGCLXZHVENI-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574529866 950963079 /nfs/dbraw/zinc/96/30/79/950963079.db2.gz ATIDYDDQJZGJOS-RYUDHWBXSA-N 0 3 382.428 0.637 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574529866 950963098 /nfs/dbraw/zinc/96/30/98/950963098.db2.gz ATIDYDDQJZGJOS-RYUDHWBXSA-N 0 3 382.428 0.637 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)c1cn(C)nn1 ZINC001574529989 950965743 /nfs/dbraw/zinc/96/57/43/950965743.db2.gz SDJRGCPLHIUOAV-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)c1cn(C)nn1 ZINC001574529989 950965759 /nfs/dbraw/zinc/96/57/59/950965759.db2.gz SDJRGCPLHIUOAV-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530344 950980313 /nfs/dbraw/zinc/98/03/13/950980313.db2.gz BVNMAUGJAHHIJH-VXGBXAGGSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530344 950980334 /nfs/dbraw/zinc/98/03/34/950980334.db2.gz BVNMAUGJAHHIJH-VXGBXAGGSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530673 950993322 /nfs/dbraw/zinc/99/33/22/950993322.db2.gz DHLJDTJOEQZINU-VXGBXAGGSA-N 0 3 390.492 0.844 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575018132 951014631 /nfs/dbraw/zinc/01/46/31/951014631.db2.gz LAGCTOMIMYVBEP-SNVBAGLBSA-N 0 3 386.391 0.008 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575018138 951015070 /nfs/dbraw/zinc/01/50/70/951015070.db2.gz LFRWQZQJBJXMQS-VIFPVBQESA-N 0 3 386.391 0.341 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001575018990 951028178 /nfs/dbraw/zinc/02/81/78/951028178.db2.gz SDAHKXZEBNOBHS-HIFRSBDPSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001575018990 951028192 /nfs/dbraw/zinc/02/81/92/951028192.db2.gz SDAHKXZEBNOBHS-HIFRSBDPSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575020077 951051090 /nfs/dbraw/zinc/05/10/90/951051090.db2.gz XKRQFDBWDJEPKU-JTQLQIEISA-N 0 3 386.391 0.008 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575020077 951051105 /nfs/dbraw/zinc/05/11/05/951051105.db2.gz XKRQFDBWDJEPKU-JTQLQIEISA-N 0 3 386.391 0.008 20 0 GCADHN C[C@@H](CNC(=O)c1cccnc1C(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575031661 951198150 /nfs/dbraw/zinc/19/81/50/951198150.db2.gz GGCUZAFRZRPJCZ-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575036257 951290915 /nfs/dbraw/zinc/29/09/15/951290915.db2.gz QFPSTWCXDWUXLC-GFCCVEGCSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575036257 951290925 /nfs/dbraw/zinc/29/09/25/951290925.db2.gz QFPSTWCXDWUXLC-GFCCVEGCSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575044345 951413904 /nfs/dbraw/zinc/41/39/04/951413904.db2.gz RISCDAJCVMFJGG-LBPRGKRZSA-N 0 3 381.444 0.631 20 0 GCADHN C[C@@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575046712 951446300 /nfs/dbraw/zinc/44/63/00/951446300.db2.gz RHQLBYBLTNBKAK-LBPRGKRZSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575046712 951446304 /nfs/dbraw/zinc/44/63/04/951446304.db2.gz RHQLBYBLTNBKAK-LBPRGKRZSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575055067 951499993 /nfs/dbraw/zinc/49/99/93/951499993.db2.gz NAHVPWOEHFNALD-LBPRGKRZSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575055382 951504119 /nfs/dbraw/zinc/50/41/19/951504119.db2.gz SAQXESQYTIVTGZ-LBPRGKRZSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575058181 951536080 /nfs/dbraw/zinc/53/60/80/951536080.db2.gz UYSLJQXXAVFWLJ-VIFPVBQESA-N 0 3 387.375 0.606 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575059308 951540705 /nfs/dbraw/zinc/54/07/05/951540705.db2.gz ZDKAXUKESPOTNP-VIFPVBQESA-N 0 3 387.375 0.606 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575059308 951540711 /nfs/dbraw/zinc/54/07/11/951540711.db2.gz ZDKAXUKESPOTNP-VIFPVBQESA-N 0 3 387.375 0.606 20 0 GCADHN C[C@H](CNC(=O)c1noc2c1COCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575067248 951606666 /nfs/dbraw/zinc/60/66/66/951606666.db2.gz PGOJBUYLDFBTJM-LLVKDONJSA-N 0 3 383.412 0.836 20 0 GCADHN C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575067788 951623779 /nfs/dbraw/zinc/62/37/79/951623779.db2.gz ZAMUUIVIMQMEDP-LLVKDONJSA-N 0 3 384.448 0.516 20 0 GCADHN C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575067788 951623783 /nfs/dbraw/zinc/62/37/83/951623783.db2.gz ZAMUUIVIMQMEDP-LLVKDONJSA-N 0 3 384.448 0.516 20 0 GCADHN CC(C)N(C(=O)C[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001575068601 951636290 /nfs/dbraw/zinc/63/62/90/951636290.db2.gz BUNRRFSWOCELBQ-ZDUSSCGKSA-N 0 3 390.492 0.796 20 0 GCADHN CC(C)N(C(=O)C[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001575068601 951636298 /nfs/dbraw/zinc/63/62/98/951636298.db2.gz BUNRRFSWOCELBQ-ZDUSSCGKSA-N 0 3 390.492 0.796 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001575068884 951637685 /nfs/dbraw/zinc/63/76/85/951637685.db2.gz DMABJAVVIAUXEQ-OLZOCXBDSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001575068884 951637691 /nfs/dbraw/zinc/63/76/91/951637691.db2.gz DMABJAVVIAUXEQ-OLZOCXBDSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575070529 951652135 /nfs/dbraw/zinc/65/21/35/951652135.db2.gz RCVJAKOFCYYMSE-VXGBXAGGSA-N 0 3 376.465 0.311 20 0 GCADHN CC(C)N(C(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001575071012 951655048 /nfs/dbraw/zinc/65/50/48/951655048.db2.gz WYHLTKNHMXBNOD-CYBMUJFWSA-N 0 3 390.492 0.796 20 0 GCADHN CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575071028 951656049 /nfs/dbraw/zinc/65/60/49/951656049.db2.gz XFIOHLAEYHCBDI-NWDGAFQWSA-N 0 3 376.465 0.311 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077021 951658741 /nfs/dbraw/zinc/65/87/41/951658741.db2.gz AUKIAJSIBORPCR-SNVBAGLBSA-N 0 3 386.391 0.245 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077021 951658746 /nfs/dbraw/zinc/65/87/46/951658746.db2.gz AUKIAJSIBORPCR-SNVBAGLBSA-N 0 3 386.391 0.245 20 0 GCADHN C[C@@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077158 951663161 /nfs/dbraw/zinc/66/31/61/951663161.db2.gz DPONRUQAPNHBMW-LLVKDONJSA-N 0 3 376.392 0.736 20 0 GCADHN C[C@@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077158 951663167 /nfs/dbraw/zinc/66/31/67/951663167.db2.gz DPONRUQAPNHBMW-LLVKDONJSA-N 0 3 376.392 0.736 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077258 951664065 /nfs/dbraw/zinc/66/40/65/951664065.db2.gz BHNAOYCDEGOCLJ-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077258 951664071 /nfs/dbraw/zinc/66/40/71/951664071.db2.gz BHNAOYCDEGOCLJ-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575077308 951665555 /nfs/dbraw/zinc/66/55/55/951665555.db2.gz FNVGUVIETUKABQ-CZUORRHYSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575077308 951665561 /nfs/dbraw/zinc/66/55/61/951665561.db2.gz FNVGUVIETUKABQ-CZUORRHYSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077454 951669612 /nfs/dbraw/zinc/66/96/12/951669612.db2.gz DHRJMKKYRAGESL-NEPJUHHUSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077454 951669618 /nfs/dbraw/zinc/66/96/18/951669618.db2.gz DHRJMKKYRAGESL-NEPJUHHUSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]Cc1cc(CO)ccc1F ZINC001575077537 951671251 /nfs/dbraw/zinc/67/12/51/951671251.db2.gz GITQADQNKZCQCM-LLVKDONJSA-N 0 3 387.419 0.982 20 0 GCADHN C[C@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078071 951677443 /nfs/dbraw/zinc/67/74/43/951677443.db2.gz JUHKFYGTTKHINV-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575078184 951679541 /nfs/dbraw/zinc/67/95/41/951679541.db2.gz JPTWSPIAOZCUMK-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575078179 951679985 /nfs/dbraw/zinc/67/99/85/951679985.db2.gz JPTWSPIAOZCUMK-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575078807 951684069 /nfs/dbraw/zinc/68/40/69/951684069.db2.gz ADIYAHMDKOJRGP-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575078807 951684076 /nfs/dbraw/zinc/68/40/76/951684076.db2.gz ADIYAHMDKOJRGP-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078656 951684772 /nfs/dbraw/zinc/68/47/72/951684772.db2.gz LIMIFZGIMPRAEG-FZMZJTMJSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078656 951684775 /nfs/dbraw/zinc/68/47/75/951684775.db2.gz LIMIFZGIMPRAEG-FZMZJTMJSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079261 951688586 /nfs/dbraw/zinc/68/85/86/951688586.db2.gz MVWXIXGITYQAHE-MNOVXSKESA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079261 951688593 /nfs/dbraw/zinc/68/85/93/951688593.db2.gz MVWXIXGITYQAHE-MNOVXSKESA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079199 951689570 /nfs/dbraw/zinc/68/95/70/951689570.db2.gz MAVCMNIQVCEOKP-XHDPSFHLSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079199 951689575 /nfs/dbraw/zinc/68/95/75/951689575.db2.gz MAVCMNIQVCEOKP-XHDPSFHLSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079511 951693246 /nfs/dbraw/zinc/69/32/46/951693246.db2.gz QFASXWDKGGXUOA-LRDDRELGSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079511 951693251 /nfs/dbraw/zinc/69/32/51/951693251.db2.gz QFASXWDKGGXUOA-LRDDRELGSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cnn(C)c1N ZINC001575079904 951699150 /nfs/dbraw/zinc/69/91/50/951699150.db2.gz SSYHCIFZLJVVTF-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575079858 951699490 /nfs/dbraw/zinc/69/94/90/951699490.db2.gz HROOZBRAUKKABT-SWLSCSKDSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575079858 951699493 /nfs/dbraw/zinc/69/94/93/951699493.db2.gz HROOZBRAUKKABT-SWLSCSKDSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079954 951700764 /nfs/dbraw/zinc/70/07/64/951700764.db2.gz UFDQGDUOUWJRQD-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079954 951700773 /nfs/dbraw/zinc/70/07/73/951700773.db2.gz UFDQGDUOUWJRQD-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCNC(N)=O ZINC001575080005 951701224 /nfs/dbraw/zinc/70/12/24/951701224.db2.gz ITJVKFLHWACYMO-SNVBAGLBSA-N 0 3 378.412 0.001 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCNC(N)=O ZINC001575080005 951701229 /nfs/dbraw/zinc/70/12/29/951701229.db2.gz ITJVKFLHWACYMO-SNVBAGLBSA-N 0 3 378.412 0.001 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575080109 951704567 /nfs/dbraw/zinc/70/45/67/951704567.db2.gz VARWJIMMKWXRAL-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575080275 951707846 /nfs/dbraw/zinc/70/78/46/951707846.db2.gz QSOLXPQOCVPIFW-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575080275 951707849 /nfs/dbraw/zinc/70/78/49/951707849.db2.gz QSOLXPQOCVPIFW-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080438 951709678 /nfs/dbraw/zinc/70/96/78/951709678.db2.gz LXBLNVXZXBBDEF-IINYFYTJSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080438 951709683 /nfs/dbraw/zinc/70/96/83/951709683.db2.gz LXBLNVXZXBBDEF-IINYFYTJSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080546 951711746 /nfs/dbraw/zinc/71/17/46/951711746.db2.gz YBRNBEVJKYSPIV-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080546 951711758 /nfs/dbraw/zinc/71/17/58/951711758.db2.gz YBRNBEVJKYSPIV-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080704 951714456 /nfs/dbraw/zinc/71/44/56/951714456.db2.gz NCTBFTZKARDFKJ-JTQLQIEISA-N 0 3 385.407 0.534 20 0 GCADHN C[C@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080704 951714461 /nfs/dbraw/zinc/71/44/61/951714461.db2.gz NCTBFTZKARDFKJ-JTQLQIEISA-N 0 3 385.407 0.534 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575080767 951714976 /nfs/dbraw/zinc/71/49/76/951714976.db2.gz NMRSOOYPAANOHM-ZANVPECISA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575080767 951714982 /nfs/dbraw/zinc/71/49/82/951714982.db2.gz NMRSOOYPAANOHM-ZANVPECISA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575080823 951716334 /nfs/dbraw/zinc/71/63/34/951716334.db2.gz ZSMSITSLLAZCQH-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575080823 951716338 /nfs/dbraw/zinc/71/63/38/951716338.db2.gz ZSMSITSLLAZCQH-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081191 951719950 /nfs/dbraw/zinc/71/99/50/951719950.db2.gz PQIOQGKXOWFDOX-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081191 951719956 /nfs/dbraw/zinc/71/99/56/951719956.db2.gz PQIOQGKXOWFDOX-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NCCC(C)(C)C ZINC001575081415 951723238 /nfs/dbraw/zinc/72/32/38/951723238.db2.gz URGUVUFKEINUCZ-LBPRGKRZSA-N 0 3 390.492 0.703 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NCCC(C)(C)C ZINC001575081415 951723242 /nfs/dbraw/zinc/72/32/42/951723242.db2.gz URGUVUFKEINUCZ-LBPRGKRZSA-N 0 3 390.492 0.703 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575081867 951727346 /nfs/dbraw/zinc/72/73/46/951727346.db2.gz SPOSTMLZPBLWFT-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575081867 951727352 /nfs/dbraw/zinc/72/73/52/951727352.db2.gz SPOSTMLZPBLWFT-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081934 951729102 /nfs/dbraw/zinc/72/91/02/951729102.db2.gz WUJPNCOXHGNXPK-NEPJUHHUSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081934 951729112 /nfs/dbraw/zinc/72/91/12/951729112.db2.gz WUJPNCOXHGNXPK-NEPJUHHUSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575082572 951733550 /nfs/dbraw/zinc/73/35/50/951733550.db2.gz XIAIHOLAXDBJDX-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575082572 951733560 /nfs/dbraw/zinc/73/35/60/951733560.db2.gz XIAIHOLAXDBJDX-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)Nc1nccs1 ZINC001575082422 951734046 /nfs/dbraw/zinc/73/40/46/951734046.db2.gz YILLQIMNEIKJRN-VIFPVBQESA-N 0 3 389.445 0.246 20 0 GCADHN C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575082439 951734398 /nfs/dbraw/zinc/73/43/98/951734398.db2.gz YXEZNCDLNJQJJW-DTWKUNHWSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575082439 951734406 /nfs/dbraw/zinc/73/44/06/951734406.db2.gz YXEZNCDLNJQJJW-DTWKUNHWSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001575082705 951736260 /nfs/dbraw/zinc/73/62/60/951736260.db2.gz YJTHRQNDAAZQMY-GHMZBOCLSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(N)=O ZINC001575082705 951736270 /nfs/dbraw/zinc/73/62/70/951736270.db2.gz YJTHRQNDAAZQMY-GHMZBOCLSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088500 951739289 /nfs/dbraw/zinc/73/92/89/951739289.db2.gz AJADDZMBWTVMTM-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088500 951739297 /nfs/dbraw/zinc/73/92/97/951739297.db2.gz AJADDZMBWTVMTM-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575088698 951740897 /nfs/dbraw/zinc/74/08/97/951740897.db2.gz AWNYFUBYQATYIJ-SNVBAGLBSA-N 0 3 387.423 0.477 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575088698 951740900 /nfs/dbraw/zinc/74/09/00/951740900.db2.gz AWNYFUBYQATYIJ-SNVBAGLBSA-N 0 3 387.423 0.477 20 0 GCADHN C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001575088572 951741242 /nfs/dbraw/zinc/74/12/42/951741242.db2.gz BPXRCENUMMRRBW-NWDGAFQWSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575089393 951748927 /nfs/dbraw/zinc/74/89/27/951748927.db2.gz HCANJDNCCSZAJO-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575089679 951751114 /nfs/dbraw/zinc/75/11/14/951751114.db2.gz HJZMLHHPTVACQL-AAEUAGOBSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089790 951755549 /nfs/dbraw/zinc/75/55/49/951755549.db2.gz IPKNZNICAHGEBZ-DOMZBBRYSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089790 951755556 /nfs/dbraw/zinc/75/55/56/951755556.db2.gz IPKNZNICAHGEBZ-DOMZBBRYSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575090734 951763303 /nfs/dbraw/zinc/76/33/03/951763303.db2.gz LLZBFLHFNWSUAX-YPMHNXCESA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575090732 951763821 /nfs/dbraw/zinc/76/38/21/951763821.db2.gz LLZBFLHFNWSUAX-DGCLKSJQSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091096 951767738 /nfs/dbraw/zinc/76/77/38/951767738.db2.gz PBXIJVOPICYVMD-IINYFYTJSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091096 951767744 /nfs/dbraw/zinc/76/77/44/951767744.db2.gz PBXIJVOPICYVMD-IINYFYTJSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575091232 951771621 /nfs/dbraw/zinc/77/16/21/951771621.db2.gz ONSRUPJJGDXXDL-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091711 951782003 /nfs/dbraw/zinc/78/20/03/951782003.db2.gz WNFZDDHTZOAMSA-RISCZKNCSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091711 951782008 /nfs/dbraw/zinc/78/20/08/951782008.db2.gz WNFZDDHTZOAMSA-RISCZKNCSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575092006 951788757 /nfs/dbraw/zinc/78/87/57/951788757.db2.gz XRFDCMVRJDCARD-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575093818 951801778 /nfs/dbraw/zinc/80/17/78/951801778.db2.gz KWJORRBSNSGVQO-LBPRGKRZSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575093818 951801782 /nfs/dbraw/zinc/80/17/82/951801782.db2.gz KWJORRBSNSGVQO-LBPRGKRZSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575093822 951803064 /nfs/dbraw/zinc/80/30/64/951803064.db2.gz KYGVBRXKMYYMFO-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575093822 951803071 /nfs/dbraw/zinc/80/30/71/951803071.db2.gz KYGVBRXKMYYMFO-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575095153 951811710 /nfs/dbraw/zinc/81/17/10/951811710.db2.gz SNJJWXXTWCJGOC-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575095153 951811715 /nfs/dbraw/zinc/81/17/15/951811715.db2.gz SNJJWXXTWCJGOC-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575095960 951817276 /nfs/dbraw/zinc/81/72/76/951817276.db2.gz XRIWTJFYPMSWOV-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575095960 951817287 /nfs/dbraw/zinc/81/72/87/951817287.db2.gz XRIWTJFYPMSWOV-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001575098110 951818823 /nfs/dbraw/zinc/81/88/23/951818823.db2.gz ASJZSTDUZIXEJK-WCQYABFASA-N 0 3 379.490 0.195 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101349 951858359 /nfs/dbraw/zinc/85/83/59/951858359.db2.gz BYICMCATMVKDTD-LLVKDONJSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101349 951858367 /nfs/dbraw/zinc/85/83/67/951858367.db2.gz BYICMCATMVKDTD-LLVKDONJSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575101488 951859569 /nfs/dbraw/zinc/85/95/69/951859569.db2.gz FSXHRFDFDZQSQR-NEPJUHHUSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575101488 951859575 /nfs/dbraw/zinc/85/95/75/951859575.db2.gz FSXHRFDFDZQSQR-NEPJUHHUSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102403 951867216 /nfs/dbraw/zinc/86/72/16/951867216.db2.gz MOTWZTGWYJTNKK-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102403 951867227 /nfs/dbraw/zinc/86/72/27/951867227.db2.gz MOTWZTGWYJTNKK-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102383 951868755 /nfs/dbraw/zinc/86/87/55/951868755.db2.gz MKKQUCZTQDICSM-AAEUAGOBSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102383 951868764 /nfs/dbraw/zinc/86/87/64/951868764.db2.gz MKKQUCZTQDICSM-AAEUAGOBSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575102361 951868862 /nfs/dbraw/zinc/86/88/62/951868862.db2.gz LPBDDPHCEFEPNE-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575102361 951868867 /nfs/dbraw/zinc/86/88/67/951868867.db2.gz LPBDDPHCEFEPNE-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102991 951871334 /nfs/dbraw/zinc/87/13/34/951871334.db2.gz PZLCAKNTQCENEK-LRDDRELGSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102991 951871337 /nfs/dbraw/zinc/87/13/37/951871337.db2.gz PZLCAKNTQCENEK-LRDDRELGSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001575103371 951875645 /nfs/dbraw/zinc/87/56/45/951875645.db2.gz SSUIFIQKUOHVRQ-VXGBXAGGSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001575103371 951875653 /nfs/dbraw/zinc/87/56/53/951875653.db2.gz SSUIFIQKUOHVRQ-VXGBXAGGSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575103714 951876823 /nfs/dbraw/zinc/87/68/23/951876823.db2.gz VIYAQFVOCWDVTA-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575103714 951876831 /nfs/dbraw/zinc/87/68/31/951876831.db2.gz VIYAQFVOCWDVTA-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575103709 951877398 /nfs/dbraw/zinc/87/73/98/951877398.db2.gz VIYAQFVOCWDVTA-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575103709 951877406 /nfs/dbraw/zinc/87/74/06/951877406.db2.gz VIYAQFVOCWDVTA-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575104255 951884212 /nfs/dbraw/zinc/88/42/12/951884212.db2.gz YNZJRBZERKHZAU-ZDUSSCGKSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575104255 951884221 /nfs/dbraw/zinc/88/42/21/951884221.db2.gz YNZJRBZERKHZAU-ZDUSSCGKSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575104481 951885952 /nfs/dbraw/zinc/88/59/52/951885952.db2.gz DJCMEFAXZFKARW-ABAIWWIYSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575104481 951885959 /nfs/dbraw/zinc/88/59/59/951885959.db2.gz DJCMEFAXZFKARW-ABAIWWIYSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575104905 951889285 /nfs/dbraw/zinc/88/92/85/951889285.db2.gz GQYGSGPIUIDEMN-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575104905 951889293 /nfs/dbraw/zinc/88/92/93/951889293.db2.gz GQYGSGPIUIDEMN-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104901 951889809 /nfs/dbraw/zinc/88/98/09/951889809.db2.gz GQRUJNNRUOMLKT-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104901 951889813 /nfs/dbraw/zinc/88/98/13/951889813.db2.gz GQRUJNNRUOMLKT-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001575104881 951890624 /nfs/dbraw/zinc/89/06/24/951890624.db2.gz FYVXAGIYWOMUAZ-MLGOLLRUSA-N 0 3 391.451 0.273 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575105671 951898133 /nfs/dbraw/zinc/89/81/33/951898133.db2.gz MRIIEYSXBXXIKW-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575105671 951898142 /nfs/dbraw/zinc/89/81/42/951898142.db2.gz MRIIEYSXBXXIKW-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105830 951900088 /nfs/dbraw/zinc/90/00/88/951900088.db2.gz OHAQTLGFJNSTOV-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105830 951900100 /nfs/dbraw/zinc/90/01/00/951900100.db2.gz OHAQTLGFJNSTOV-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnn(C)c1N ZINC001575105873 951900602 /nfs/dbraw/zinc/90/06/02/951900602.db2.gz OWVHRWWFSRZBCI-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnn(C)c1N ZINC001575105873 951900610 /nfs/dbraw/zinc/90/06/10/951900610.db2.gz OWVHRWWFSRZBCI-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575106569 951904876 /nfs/dbraw/zinc/90/48/76/951904876.db2.gz SHNUVARARXPOAE-KBXCAEBGSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575106569 951904879 /nfs/dbraw/zinc/90/48/79/951904879.db2.gz SHNUVARARXPOAE-KBXCAEBGSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CCn1cnnn1 ZINC001575106835 951907608 /nfs/dbraw/zinc/90/76/08/951907608.db2.gz VHEHBEIMSJEXOM-NSHDSACASA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CCn1cnnn1 ZINC001575106835 951907617 /nfs/dbraw/zinc/90/76/17/951907617.db2.gz VHEHBEIMSJEXOM-NSHDSACASA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575106951 951909453 /nfs/dbraw/zinc/90/94/53/951909453.db2.gz WHSMZRSUKXUAPW-GXTWGEPZSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575106951 951909456 /nfs/dbraw/zinc/90/94/56/951909456.db2.gz WHSMZRSUKXUAPW-GXTWGEPZSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107084 951913626 /nfs/dbraw/zinc/91/36/26/951913626.db2.gz YJLKEOWKVIGKJP-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107084 951913628 /nfs/dbraw/zinc/91/36/28/951913628.db2.gz YJLKEOWKVIGKJP-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575109210 951927775 /nfs/dbraw/zinc/92/77/75/951927775.db2.gz PJTRESODHVLNNG-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575109210 951927779 /nfs/dbraw/zinc/92/77/79/951927779.db2.gz PJTRESODHVLNNG-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575109246 951928157 /nfs/dbraw/zinc/92/81/57/951928157.db2.gz QIGYUWGANPJZCJ-BBRMVZONSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575109246 951928160 /nfs/dbraw/zinc/92/81/60/951928160.db2.gz QIGYUWGANPJZCJ-BBRMVZONSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575109247 951928354 /nfs/dbraw/zinc/92/83/54/951928354.db2.gz QIGYUWGANPJZCJ-CJNGLKHVSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575109247 951928358 /nfs/dbraw/zinc/92/83/58/951928358.db2.gz QIGYUWGANPJZCJ-CJNGLKHVSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575109534 951929883 /nfs/dbraw/zinc/92/98/83/951929883.db2.gz SCSCNRFVGDBHSQ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575109534 951929889 /nfs/dbraw/zinc/92/98/89/951929889.db2.gz SCSCNRFVGDBHSQ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575109939 951935529 /nfs/dbraw/zinc/93/55/29/951935529.db2.gz WHDRYGIURBDRII-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575109939 951935535 /nfs/dbraw/zinc/93/55/35/951935535.db2.gz WHDRYGIURBDRII-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113429 951941752 /nfs/dbraw/zinc/94/17/52/951941752.db2.gz BGEHDTNWMRQZSK-OCCSQVGLSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113429 951941760 /nfs/dbraw/zinc/94/17/60/951941760.db2.gz BGEHDTNWMRQZSK-OCCSQVGLSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575113946 951949836 /nfs/dbraw/zinc/94/98/36/951949836.db2.gz IWYLIAZFEMJIIY-SFHVURJKSA-N 0 3 386.460 0.300 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575113946 951949841 /nfs/dbraw/zinc/94/98/41/951949841.db2.gz IWYLIAZFEMJIIY-SFHVURJKSA-N 0 3 386.460 0.300 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114758 951961364 /nfs/dbraw/zinc/96/13/64/951961364.db2.gz SJBOUSSCRNPWGK-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114758 951961369 /nfs/dbraw/zinc/96/13/69/951961369.db2.gz SJBOUSSCRNPWGK-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001575184876 952425396 /nfs/dbraw/zinc/42/53/96/952425396.db2.gz GCHZEFHLXMEHNU-LBPRGKRZSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575185147 952429311 /nfs/dbraw/zinc/42/93/11/952429311.db2.gz LVRWGMTYINNYLB-OCCSQVGLSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575185147 952429314 /nfs/dbraw/zinc/42/93/14/952429314.db2.gz LVRWGMTYINNYLB-OCCSQVGLSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](Cc1ccco1)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575197220 952480123 /nfs/dbraw/zinc/48/01/23/952480123.db2.gz QJLZHGKPPPZDCA-HIFRSBDPSA-N 0 3 384.440 0.905 20 0 GCADHN C[C@H](Cc1ccco1)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575197220 952480129 /nfs/dbraw/zinc/48/01/29/952480129.db2.gz QJLZHGKPPPZDCA-HIFRSBDPSA-N 0 3 384.440 0.905 20 0 GCADHN CC(F)(F)C(=O)N1CCO[C@@H](CNCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575212572 952553519 /nfs/dbraw/zinc/55/35/19/952553519.db2.gz KAJFAEXBKPIVCU-LBPRGKRZSA-N 0 3 384.362 0.978 20 0 GCADHN Cn1cncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571141939 952637030 /nfs/dbraw/zinc/63/70/30/952637030.db2.gz LCTRZCCFUBSUNR-GASCZTMLSA-N 0 3 378.440 0.804 20 0 GCADHN Cn1cncc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571141939 952637032 /nfs/dbraw/zinc/63/70/32/952637032.db2.gz LCTRZCCFUBSUNR-GASCZTMLSA-N 0 3 378.440 0.804 20 0 GCADHN Cn1cncc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571141939 952637036 /nfs/dbraw/zinc/63/70/36/952637036.db2.gz LCTRZCCFUBSUNR-GASCZTMLSA-N 0 3 378.440 0.804 20 0 GCADHN Cn1cncc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571141939 952637039 /nfs/dbraw/zinc/63/70/39/952637039.db2.gz LCTRZCCFUBSUNR-GASCZTMLSA-N 0 3 378.440 0.804 20 0 GCADHN O=C(CCc1ccncn1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571142508 952643135 /nfs/dbraw/zinc/64/31/35/952643135.db2.gz SRIJUDQRGRYTBT-KRWDZBQOSA-N 0 3 378.440 0.980 20 0 GCADHN COc1ncc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001571157869 952708266 /nfs/dbraw/zinc/70/82/66/952708266.db2.gz BEKMOHZIMBCODK-OAHLLOKOSA-N 0 3 380.412 0.670 20 0 GCADHN COc1ncc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC001571157869 952708272 /nfs/dbraw/zinc/70/82/72/952708272.db2.gz BEKMOHZIMBCODK-OAHLLOKOSA-N 0 3 380.412 0.670 20 0 GCADHN COc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001571158519 952712441 /nfs/dbraw/zinc/71/24/41/952712441.db2.gz KGPGVSADRFBADW-OKILXGFUSA-N 0 3 380.412 0.716 20 0 GCADHN COc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001571158519 952712446 /nfs/dbraw/zinc/71/24/46/952712446.db2.gz KGPGVSADRFBADW-OKILXGFUSA-N 0 3 380.412 0.716 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncc[nH]2)cc1-c1nnn[n-]1 ZINC001571158946 952715884 /nfs/dbraw/zinc/71/58/84/952715884.db2.gz NWJZPPNQBRQIMB-NHAGDIPZSA-N 0 3 380.412 0.459 20 0 GCADHN COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncc[nH]2)cc1-c1nnn[n-]1 ZINC001571158946 952715889 /nfs/dbraw/zinc/71/58/89/952715889.db2.gz NWJZPPNQBRQIMB-NHAGDIPZSA-N 0 3 380.412 0.459 20 0 GCADHN O=C(c1cn[nH]c(=O)c1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571160023 952722838 /nfs/dbraw/zinc/72/28/38/952722838.db2.gz AZKJDBGSEBDUKZ-ZDUSSCGKSA-N 0 3 380.412 0.614 20 0 GCADHN O=C(c1cn[nH]c(=O)c1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571160023 952722842 /nfs/dbraw/zinc/72/28/42/952722842.db2.gz AZKJDBGSEBDUKZ-ZDUSSCGKSA-N 0 3 380.412 0.614 20 0 GCADHN Cn1c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)c[nH]c1=O ZINC001571161189 952731183 /nfs/dbraw/zinc/73/11/83/952731183.db2.gz QMGIFXJUECVFJD-NHAGDIPZSA-N 0 3 380.412 0.166 20 0 GCADHN Cn1c(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)c[nH]c1=O ZINC001571161189 952731185 /nfs/dbraw/zinc/73/11/85/952731185.db2.gz QMGIFXJUECVFJD-NHAGDIPZSA-N 0 3 380.412 0.166 20 0 GCADHN Cn1cc(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001571172542 952807023 /nfs/dbraw/zinc/80/70/23/952807023.db2.gz WUHMSCUHDZBCEG-CZIWCDLHSA-N 0 3 380.456 0.827 20 0 GCADHN Cn1cc(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC001571172542 952807027 /nfs/dbraw/zinc/80/70/27/952807027.db2.gz WUHMSCUHDZBCEG-CZIWCDLHSA-N 0 3 380.456 0.827 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC001571180177 952857838 /nfs/dbraw/zinc/85/78/38/952857838.db2.gz MIUXRXDEJJDTKU-OAHLLOKOSA-N 0 3 381.440 0.939 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC001571180177 952857845 /nfs/dbraw/zinc/85/78/45/952857845.db2.gz MIUXRXDEJJDTKU-OAHLLOKOSA-N 0 3 381.440 0.939 20 0 GCADHN C[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001571183547 952879955 /nfs/dbraw/zinc/87/99/55/952879955.db2.gz DHIORQKTSNGMHM-DZGCQCFKSA-N 0 3 381.444 0.485 20 0 GCADHN C[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001571183547 952879957 /nfs/dbraw/zinc/87/99/57/952879957.db2.gz DHIORQKTSNGMHM-DZGCQCFKSA-N 0 3 381.444 0.485 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)CC[N@@H+]1C ZINC001571183669 952881074 /nfs/dbraw/zinc/88/10/74/952881074.db2.gz HDEIJMJDCDPOMH-LSDHHAIUSA-N 0 3 381.444 0.847 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)CC[N@H+]1C ZINC001571183669 952881079 /nfs/dbraw/zinc/88/10/79/952881079.db2.gz HDEIJMJDCDPOMH-LSDHHAIUSA-N 0 3 381.444 0.847 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571183982 952885964 /nfs/dbraw/zinc/88/59/64/952885964.db2.gz OCELMNGUAWHJHF-DOMZBBRYSA-N 0 3 381.444 0.493 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571183982 952885974 /nfs/dbraw/zinc/88/59/74/952885974.db2.gz OCELMNGUAWHJHF-DOMZBBRYSA-N 0 3 381.444 0.493 20 0 GCADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571184122 952888435 /nfs/dbraw/zinc/88/84/35/952888435.db2.gz QZIJANPXJXNTFV-DOMZBBRYSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571184122 952888440 /nfs/dbraw/zinc/88/84/40/952888440.db2.gz QZIJANPXJXNTFV-DOMZBBRYSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571184286 952890512 /nfs/dbraw/zinc/89/05/12/952890512.db2.gz VMHLIYCCSQHRNE-GXTWGEPZSA-N 0 3 381.444 0.493 20 0 GCADHN C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571184286 952890515 /nfs/dbraw/zinc/89/05/15/952890515.db2.gz VMHLIYCCSQHRNE-GXTWGEPZSA-N 0 3 381.444 0.493 20 0 GCADHN Cc1c[nH]c(C(=O)N2CC[C@H](CCNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571187667 952909213 /nfs/dbraw/zinc/90/92/13/952909213.db2.gz AJJCYLYHVOVZHG-ZDUSSCGKSA-N 0 3 381.444 0.988 20 0 GCADHN Cc1cc(N2CC[C@@H](N(C)C(=O)Cc3cncn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187805 952909842 /nfs/dbraw/zinc/90/98/42/952909842.db2.gz CEGCJCLWMGUHAP-CYBMUJFWSA-N 0 3 381.444 0.583 20 0 GCADHN Cc1cc(NC[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187876 952910400 /nfs/dbraw/zinc/91/04/00/952910400.db2.gz CKFOQAMCLIHBGY-YPMHNXCESA-N 0 3 381.444 0.464 20 0 GCADHN Cn1cnc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001571188458 952914637 /nfs/dbraw/zinc/91/46/37/952914637.db2.gz AYPSMCOVWJIODL-CQSZACIVSA-N 0 3 381.444 0.637 20 0 GCADHN Cn1cnc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001571188458 952914640 /nfs/dbraw/zinc/91/46/40/952914640.db2.gz AYPSMCOVWJIODL-CQSZACIVSA-N 0 3 381.444 0.637 20 0 GCADHN Cn1cnc(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001571188457 952914815 /nfs/dbraw/zinc/91/48/15/952914815.db2.gz AYPSMCOVWJIODL-AWEZNQCLSA-N 0 3 381.444 0.637 20 0 GCADHN Cn1cnc(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001571188457 952914818 /nfs/dbraw/zinc/91/48/18/952914818.db2.gz AYPSMCOVWJIODL-AWEZNQCLSA-N 0 3 381.444 0.637 20 0 GCADHN Cc1cc(NC[C@H]2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188660 952917970 /nfs/dbraw/zinc/91/79/70/952917970.db2.gz MMUAGYXNVXKDBN-STQMWFEESA-N 0 3 381.444 0.655 20 0 GCADHN Cc1cc(N2CCCN(C(=O)CCn3ccnc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189104 952923831 /nfs/dbraw/zinc/92/38/31/952923831.db2.gz SBYXXYVCNTZWPF-UHFFFAOYSA-N 0 3 381.444 0.896 20 0 GCADHN O=C(CCn1ccnn1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571189208 952926880 /nfs/dbraw/zinc/92/68/80/952926880.db2.gz OPHFQPTVGQWVLR-HNNXBMFYSA-N 0 3 381.444 0.629 20 0 GCADHN O=C(CCn1ccnn1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571189208 952926883 /nfs/dbraw/zinc/92/68/83/952926883.db2.gz OPHFQPTVGQWVLR-HNNXBMFYSA-N 0 3 381.444 0.629 20 0 GCADHN Cn1nccc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2 ZINC001571189715 952933649 /nfs/dbraw/zinc/93/36/49/952933649.db2.gz SFCQFGXHRXCONF-GJZGRUSLSA-N 0 3 381.444 0.759 20 0 GCADHN Cn1nccc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2 ZINC001571189715 952933653 /nfs/dbraw/zinc/93/36/53/952933653.db2.gz SFCQFGXHRXCONF-GJZGRUSLSA-N 0 3 381.444 0.759 20 0 GCADHN Cn1ncc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c1N ZINC001571189930 952937539 /nfs/dbraw/zinc/93/75/39/952937539.db2.gz ZPFSHGVHTAUOFW-ZDUSSCGKSA-N 0 3 381.444 0.577 20 0 GCADHN Cn1ncc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c1N ZINC001571189930 952937541 /nfs/dbraw/zinc/93/75/41/952937541.db2.gz ZPFSHGVHTAUOFW-ZDUSSCGKSA-N 0 3 381.444 0.577 20 0 GCADHN COc1ccc(C[NH2+]CC2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571198511 952991144 /nfs/dbraw/zinc/99/11/44/952991144.db2.gz AKPMJDUVLOKDGU-UHFFFAOYSA-N 0 3 382.428 0.897 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571199204 952997815 /nfs/dbraw/zinc/99/78/15/952997815.db2.gz NBZMZGTVCKQLPW-XBXGTLAGSA-N 0 3 382.428 0.902 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571199204 952997819 /nfs/dbraw/zinc/99/78/19/952997819.db2.gz NBZMZGTVCKQLPW-XBXGTLAGSA-N 0 3 382.428 0.902 20 0 GCADHN COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)nn1C ZINC001571199655 953002705 /nfs/dbraw/zinc/00/27/05/953002705.db2.gz XXMWJTZQMGICEX-JOCQHMNTSA-N 0 3 382.428 0.659 20 0 GCADHN COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)nn1C ZINC001571199655 953002709 /nfs/dbraw/zinc/00/27/09/953002709.db2.gz XXMWJTZQMGICEX-JOCQHMNTSA-N 0 3 382.428 0.659 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ncnn1 ZINC001571205447 953038410 /nfs/dbraw/zinc/03/84/10/953038410.db2.gz JAYKSPFECOEDCJ-WFASDCNBSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001571205447 953038412 /nfs/dbraw/zinc/03/84/12/953038412.db2.gz JAYKSPFECOEDCJ-WFASDCNBSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1nnn(C)n1 ZINC001571205675 953040882 /nfs/dbraw/zinc/04/08/82/953040882.db2.gz MWRKJBCNPOKJIH-BXUZGUMPSA-N 0 3 382.432 0.173 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1nnn(C)n1 ZINC001571205675 953040886 /nfs/dbraw/zinc/04/08/86/953040886.db2.gz MWRKJBCNPOKJIH-BXUZGUMPSA-N 0 3 382.432 0.173 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CN1C(=O)CCn1cnnn1 ZINC001571205911 953043161 /nfs/dbraw/zinc/04/31/61/953043161.db2.gz NZNZTDAHXBLKBD-OCCSQVGLSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CN1C(=O)CCn1cnnn1 ZINC001571205911 953043165 /nfs/dbraw/zinc/04/31/65/953043165.db2.gz NZNZTDAHXBLKBD-OCCSQVGLSA-N 0 3 382.432 0.023 20 0 GCADHN Cn1nnc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001571209659 953066339 /nfs/dbraw/zinc/06/63/39/953066339.db2.gz ANQGSHYANMGVNW-CYBMUJFWSA-N 0 3 382.432 0.032 20 0 GCADHN Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001571209659 953066340 /nfs/dbraw/zinc/06/63/40/953066340.db2.gz ANQGSHYANMGVNW-CYBMUJFWSA-N 0 3 382.432 0.032 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]2[C@H](CC[N@@H+]2CCn2cncn2)C1 ZINC001571210729 953074366 /nfs/dbraw/zinc/07/43/66/953074366.db2.gz WCCHHXZKFBETTA-DOMZBBRYSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]2[C@H](CC[N@H+]2CCn2cncn2)C1 ZINC001571210729 953074370 /nfs/dbraw/zinc/07/43/70/953074370.db2.gz WCCHHXZKFBETTA-DOMZBBRYSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]2[C@H](CC[N@@H+]2CCn2cncn2)C1 ZINC001571210729 953074374 /nfs/dbraw/zinc/07/43/74/953074374.db2.gz WCCHHXZKFBETTA-DOMZBBRYSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]2[C@H](CC[N@H+]2CCn2cncn2)C1 ZINC001571210729 953074378 /nfs/dbraw/zinc/07/43/78/953074378.db2.gz WCCHHXZKFBETTA-DOMZBBRYSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001571210875 953074677 /nfs/dbraw/zinc/07/46/77/953074677.db2.gz ZEHMTLLILSCVQY-OLZOCXBDSA-N 0 3 382.432 0.168 20 0 GCADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001571210875 953074682 /nfs/dbraw/zinc/07/46/82/953074682.db2.gz ZEHMTLLILSCVQY-OLZOCXBDSA-N 0 3 382.432 0.168 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001571211795 953081825 /nfs/dbraw/zinc/08/18/25/953081825.db2.gz GTERDLRWAYHFGY-CWRNSKLLSA-N 0 3 382.472 0.641 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001571211795 953081831 /nfs/dbraw/zinc/08/18/31/953081831.db2.gz GTERDLRWAYHFGY-CWRNSKLLSA-N 0 3 382.472 0.641 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)C1 ZINC001571211795 953081834 /nfs/dbraw/zinc/08/18/34/953081834.db2.gz GTERDLRWAYHFGY-CWRNSKLLSA-N 0 3 382.472 0.641 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)C1 ZINC001571211795 953081840 /nfs/dbraw/zinc/08/18/40/953081840.db2.gz GTERDLRWAYHFGY-CWRNSKLLSA-N 0 3 382.472 0.641 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571213214 953093785 /nfs/dbraw/zinc/09/37/85/953093785.db2.gz PSBACEKITWPKHT-UKRRQHHQSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571213214 953093788 /nfs/dbraw/zinc/09/37/88/953093788.db2.gz PSBACEKITWPKHT-UKRRQHHQSA-N 0 3 382.472 0.831 20 0 GCADHN Cc1cc(N2CCC(NC(=O)c3cn(C)c(=O)[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571225671 953154277 /nfs/dbraw/zinc/15/42/77/953154277.db2.gz NDBCBRYJOPCGIV-UHFFFAOYSA-N 0 3 383.416 0.408 20 0 GCADHN Cc1c[nH]c(C(=O)NC[C@H]2COCCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)n1 ZINC001571226973 953157523 /nfs/dbraw/zinc/15/75/23/953157523.db2.gz YCXQRUYFBQIWLR-LBPRGKRZSA-N 0 3 383.416 0.237 20 0 GCADHN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001571230787 953180568 /nfs/dbraw/zinc/18/05/68/953180568.db2.gz KGQNDTZHEOIFTM-IMJJTQAJSA-N 0 3 383.456 0.268 20 0 GCADHN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001571230787 953180571 /nfs/dbraw/zinc/18/05/71/953180571.db2.gz KGQNDTZHEOIFTM-IMJJTQAJSA-N 0 3 383.456 0.268 20 0 GCADHN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001571230787 953180573 /nfs/dbraw/zinc/18/05/73/953180573.db2.gz KGQNDTZHEOIFTM-IMJJTQAJSA-N 0 3 383.456 0.268 20 0 GCADHN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001571230787 953180576 /nfs/dbraw/zinc/18/05/76/953180576.db2.gz KGQNDTZHEOIFTM-IMJJTQAJSA-N 0 3 383.456 0.268 20 0 GCADHN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001571230786 953180623 /nfs/dbraw/zinc/18/06/23/953180623.db2.gz KGQNDTZHEOIFTM-BMFZPTHFSA-N 0 3 383.456 0.268 20 0 GCADHN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001571230786 953180625 /nfs/dbraw/zinc/18/06/25/953180625.db2.gz KGQNDTZHEOIFTM-BMFZPTHFSA-N 0 3 383.456 0.268 20 0 GCADHN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001571230786 953180627 /nfs/dbraw/zinc/18/06/27/953180627.db2.gz KGQNDTZHEOIFTM-BMFZPTHFSA-N 0 3 383.456 0.268 20 0 GCADHN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001571230786 953180628 /nfs/dbraw/zinc/18/06/28/953180628.db2.gz KGQNDTZHEOIFTM-BMFZPTHFSA-N 0 3 383.456 0.268 20 0 GCADHN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001571231011 953182724 /nfs/dbraw/zinc/18/27/24/953182724.db2.gz PZRDTUNSDRGGSR-BEFAXECRSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001571231011 953182727 /nfs/dbraw/zinc/18/27/27/953182727.db2.gz PZRDTUNSDRGGSR-BEFAXECRSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571232030 953185363 /nfs/dbraw/zinc/18/53/63/953185363.db2.gz APDOIHMPNQUFOU-HOTGVXAUSA-N 0 3 383.456 0.616 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571232030 953185366 /nfs/dbraw/zinc/18/53/66/953185366.db2.gz APDOIHMPNQUFOU-HOTGVXAUSA-N 0 3 383.456 0.616 20 0 GCADHN O=C([C@@H]1CCC(=O)NC1)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571232493 953187957 /nfs/dbraw/zinc/18/79/57/953187957.db2.gz GTIINDIUGBEAIB-GOEBONIOSA-N 0 3 383.456 0.331 20 0 GCADHN O=C([C@@H]1CCC(=O)NC1)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571232493 953187961 /nfs/dbraw/zinc/18/79/61/953187961.db2.gz GTIINDIUGBEAIB-GOEBONIOSA-N 0 3 383.456 0.331 20 0 GCADHN O=C([C@@H]1CCNC(=O)C1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571233541 953193749 /nfs/dbraw/zinc/19/37/49/953193749.db2.gz XKVINKOKJSEIMS-HIFRSBDPSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@@H]1CCNC(=O)C1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571233541 953193751 /nfs/dbraw/zinc/19/37/51/953193751.db2.gz XKVINKOKJSEIMS-HIFRSBDPSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@H]1CCNC(=O)CC1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571233565 953193897 /nfs/dbraw/zinc/19/38/97/953193897.db2.gz YADLKCGEPHODOT-CVEARBPZSA-N 0 3 383.456 0.474 20 0 GCADHN Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571233726 953195368 /nfs/dbraw/zinc/19/53/68/953195368.db2.gz BTRJMBPIMRZBLJ-HNNXBMFYSA-N 0 3 383.460 0.903 20 0 GCADHN Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571233726 953195369 /nfs/dbraw/zinc/19/53/69/953195369.db2.gz BTRJMBPIMRZBLJ-HNNXBMFYSA-N 0 3 383.460 0.903 20 0 GCADHN Cn1nccc1CC[N@H+](C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571234219 953199757 /nfs/dbraw/zinc/19/97/57/953199757.db2.gz QBRZMUDSFZCNSM-UHFFFAOYSA-N 0 3 383.460 0.707 20 0 GCADHN Cn1nccc1CC[N@@H+](C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571234219 953199759 /nfs/dbraw/zinc/19/97/59/953199759.db2.gz QBRZMUDSFZCNSM-UHFFFAOYSA-N 0 3 383.460 0.707 20 0 GCADHN Cn1nccc1CC[N@H+](C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571234219 953199762 /nfs/dbraw/zinc/19/97/62/953199762.db2.gz QBRZMUDSFZCNSM-UHFFFAOYSA-N 0 3 383.460 0.707 20 0 GCADHN Cn1nccc1CC[N@@H+](C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571234219 953199765 /nfs/dbraw/zinc/19/97/65/953199765.db2.gz QBRZMUDSFZCNSM-UHFFFAOYSA-N 0 3 383.460 0.707 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1ccnc1 ZINC001571238870 953233260 /nfs/dbraw/zinc/23/32/60/953233260.db2.gz BLHJBFKQUQENCU-WBMJQRKESA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1ccnc1 ZINC001571238866 953233487 /nfs/dbraw/zinc/23/34/87/953233487.db2.gz BLHJBFKQUQENCU-LRDDRELGSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571239152 953236285 /nfs/dbraw/zinc/23/62/85/953236285.db2.gz GOZLPEPNJLSVHE-BZNIZROVSA-N 0 3 384.419 0.990 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571239152 953236287 /nfs/dbraw/zinc/23/62/87/953236287.db2.gz GOZLPEPNJLSVHE-BZNIZROVSA-N 0 3 384.419 0.990 20 0 GCADHN Cn1ccc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)n1 ZINC001571241560 953247037 /nfs/dbraw/zinc/24/70/37/953247037.db2.gz DGJDVWYXSMOLPX-CYBMUJFWSA-N 0 3 384.419 0.991 20 0 GCADHN Cn1ccc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)n1 ZINC001571241560 953247040 /nfs/dbraw/zinc/24/70/40/953247040.db2.gz DGJDVWYXSMOLPX-CYBMUJFWSA-N 0 3 384.419 0.991 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571243180 953264143 /nfs/dbraw/zinc/26/41/43/953264143.db2.gz YCPLBQYYBLEOGN-WCQYABFASA-N 0 3 384.444 0.010 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571243180 953264147 /nfs/dbraw/zinc/26/41/47/953264147.db2.gz YCPLBQYYBLEOGN-WCQYABFASA-N 0 3 384.444 0.010 20 0 GCADHN CC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC001571245020 953268882 /nfs/dbraw/zinc/26/88/82/953268882.db2.gz CNOBINMMFLOCGT-RISCZKNCSA-N 0 3 384.448 0.354 20 0 GCADHN CC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC001571245020 953268885 /nfs/dbraw/zinc/26/88/85/953268885.db2.gz CNOBINMMFLOCGT-RISCZKNCSA-N 0 3 384.448 0.354 20 0 GCADHN O=C(C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2)N1CCC1 ZINC001571250350 953310336 /nfs/dbraw/zinc/31/03/36/953310336.db2.gz QXSIGTKJSOSIAI-UONOGXRCSA-N 0 3 384.444 0.058 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001571252520 953329353 /nfs/dbraw/zinc/32/93/53/953329353.db2.gz OJOAWJQKHQATBS-HNNXBMFYSA-N 0 3 384.488 0.949 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001571252520 953329355 /nfs/dbraw/zinc/32/93/55/953329355.db2.gz OJOAWJQKHQATBS-HNNXBMFYSA-N 0 3 384.488 0.949 20 0 GCADHN Cc1nc(N2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)ccc1-c1nn[n-]n1 ZINC001571252496 953330182 /nfs/dbraw/zinc/33/01/82/953330182.db2.gz NXDRRMIXGBEBKD-HNNXBMFYSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571252901 953333689 /nfs/dbraw/zinc/33/36/89/953333689.db2.gz YODJTBYAJIEVQJ-GJZGRUSLSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571252901 953333691 /nfs/dbraw/zinc/33/36/91/953333691.db2.gz YODJTBYAJIEVQJ-GJZGRUSLSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571252901 953333694 /nfs/dbraw/zinc/33/36/94/953333694.db2.gz YODJTBYAJIEVQJ-GJZGRUSLSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571252901 953333697 /nfs/dbraw/zinc/33/36/97/953333697.db2.gz YODJTBYAJIEVQJ-GJZGRUSLSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571252900 953334057 /nfs/dbraw/zinc/33/40/57/953334057.db2.gz YODJTBYAJIEVQJ-CABCVRRESA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571252900 953334061 /nfs/dbraw/zinc/33/40/61/953334061.db2.gz YODJTBYAJIEVQJ-CABCVRRESA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571252900 953334064 /nfs/dbraw/zinc/33/40/64/953334064.db2.gz YODJTBYAJIEVQJ-CABCVRRESA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571252900 953334071 /nfs/dbraw/zinc/33/40/71/953334071.db2.gz YODJTBYAJIEVQJ-CABCVRRESA-N 0 3 384.488 0.949 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571253868 953334573 /nfs/dbraw/zinc/33/45/73/953334573.db2.gz AAAWBSZOGLKMKJ-YGRLFVJLSA-N 0 3 385.407 0.385 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571253867 953335168 /nfs/dbraw/zinc/33/51/68/953335168.db2.gz AAAWBSZOGLKMKJ-QMTHXVAHSA-N 0 3 385.407 0.385 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CN1C(=O)c1cn(C)nn1 ZINC001571255224 953346765 /nfs/dbraw/zinc/34/67/65/953346765.db2.gz MVJJAZKDAIPWKF-ZYHUDNBSSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CN1C(=O)c1cn(C)nn1 ZINC001571255224 953346768 /nfs/dbraw/zinc/34/67/68/953346768.db2.gz MVJJAZKDAIPWKF-ZYHUDNBSSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1ncn(C)n1 ZINC001571255427 953348417 /nfs/dbraw/zinc/34/84/17/953348417.db2.gz PGFMUNVQAYMQMH-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1ncn(C)n1 ZINC001571255427 953348420 /nfs/dbraw/zinc/34/84/20/953348420.db2.gz PGFMUNVQAYMQMH-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CCC3OCCO3)C(=O)[O-])CC2)CC1 ZINC001596408541 983984462 /nfs/dbraw/zinc/98/44/62/983984462.db2.gz OCVDTAAFFIMWFH-QGZVFWFLSA-N 0 3 397.516 0.905 20 0 GCADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCC[NH+]2CCC(C(=O)[O-])CC2)cn1 ZINC001598578380 993309348 /nfs/dbraw/zinc/30/93/48/993309348.db2.gz GKGOKSMKFOAEEN-ZWKOTPCHSA-N 0 3 391.516 0.758 20 0 GCADHN CN1CCN(C(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C(=O)[O-])C1 ZINC001598604643 993626009 /nfs/dbraw/zinc/62/60/09/993626009.db2.gz VXAJECPLSBBTKP-FXAWDEMLSA-N 0 3 375.469 0.488 20 0 GCADHN CN1CCN(C(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C(=O)[O-])C1 ZINC001598604643 993626016 /nfs/dbraw/zinc/62/60/16/993626016.db2.gz VXAJECPLSBBTKP-FXAWDEMLSA-N 0 3 375.469 0.488 20 0 GCADHN COc1cc(C[N@@H+](CC(=O)[O-])C[C@H]2CCCN(C(=O)CN)C2)cc(OC)c1 ZINC001599405589 997290317 /nfs/dbraw/zinc/29/03/17/997290317.db2.gz AQGYVDRLRZSOKI-CQSZACIVSA-N 0 3 379.457 0.788 20 0 GCADHN COc1cc(C[N@H+](CC(=O)[O-])C[C@H]2CCCN(C(=O)CN)C2)cc(OC)c1 ZINC001599405589 997290325 /nfs/dbraw/zinc/29/03/25/997290325.db2.gz AQGYVDRLRZSOKI-CQSZACIVSA-N 0 3 379.457 0.788 20 0 GCADHN Cn1c2[n-]c(C[NH2+][C@@](C)(CO)Cc3ccccc3F)nc2c(=O)n(C)c1=O ZINC001198218734 1126154789 /nfs/dbraw/zinc/15/47/89/1126154789.db2.gz JSMSQIUZUINXOB-GOSISDBHSA-N 0 3 375.404 0.183 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000264113959 530152373 /nfs/dbraw/zinc/15/23/73/530152373.db2.gz BKOKLDYJABNQBN-GFCCVEGCSA-N 0 3 388.515 0.068 20 0 GCADHN COCCN(C(=O)NC[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000538074340 530154198 /nfs/dbraw/zinc/15/41/98/530154198.db2.gz CCNZLWHISAHPJY-HOTGVXAUSA-N 0 3 375.535 0.954 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000583934643 530116993 /nfs/dbraw/zinc/11/69/93/530116993.db2.gz PIULVUNSSBUYNN-JQWIXIFHSA-N 0 3 375.878 1.000 20 0 GCADHN C[C@@H](N)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000648129031 530119230 /nfs/dbraw/zinc/11/92/30/530119230.db2.gz GIKNPCUDUIONCI-ZWNOBZJWSA-N 0 3 375.878 0.337 20 0 GCADHN CN(C)CCN(CCN(C)C)C(=O)NCc1c(Br)cnn1C ZINC000637634512 530121054 /nfs/dbraw/zinc/12/10/54/530121054.db2.gz ORAJENBMPAVCSE-UHFFFAOYSA-N 0 3 375.315 0.817 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)NCCCN(C)S(C)(=O)=O ZINC000538380295 530121961 /nfs/dbraw/zinc/12/19/61/530121961.db2.gz LZBIGUCOKAKZHM-XJKSGUPXSA-N 0 3 377.507 0.096 20 0 GCADHN CC(C)(CNC(=O)NCC(=O)NCCN1CCCCCC1)S(C)(=O)=O ZINC000644899598 530122121 /nfs/dbraw/zinc/12/21/21/530122121.db2.gz KTBUUTSPSYPHKD-UHFFFAOYSA-N 0 3 376.523 0.101 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000408464223 530122378 /nfs/dbraw/zinc/12/23/78/530122378.db2.gz FZBYRVPWVQXGMY-ZIAGYGMSSA-N 0 3 375.539 0.335 20 0 GCADHN COCCNc1nc(N[C@@H]2CS[C@H](C)C2)nc(N[C@@H]2CS[C@@H](C)C2)n1 ZINC000413519150 530133160 /nfs/dbraw/zinc/13/31/60/530133160.db2.gz OHIASLRHXXJWJR-RNJOBUHISA-N 0 3 384.575 0.807 20 0 GCADHN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H](O)CN3)n2)cc1 ZINC000262380288 530134510 /nfs/dbraw/zinc/13/45/10/530134510.db2.gz NTHZMZXKKMCELL-VXGBXAGGSA-N 0 3 382.467 0.843 20 0 GCADHN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000413640228 530135812 /nfs/dbraw/zinc/13/58/12/530135812.db2.gz MBCAQDOEJLVIJH-INIZCTEOSA-N 0 3 389.905 0.999 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)N[C@H](CO)CN1CCCCC1 ZINC000413794595 530137811 /nfs/dbraw/zinc/13/78/11/530137811.db2.gz AHZZABSPVLHOGM-AWEZNQCLSA-N 0 3 386.290 0.964 20 0 GCADHN CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)c1ncccc1Br ZINC000414215294 530140725 /nfs/dbraw/zinc/14/07/25/530140725.db2.gz WTJQETWMGFFAEI-ZETCQYMHSA-N 0 3 376.232 0.995 20 0 GCADHN CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000414205802 530140867 /nfs/dbraw/zinc/14/08/67/530140867.db2.gz DGLKAGCTAYLJDB-NSHDSACASA-N 0 3 390.483 0.734 20 0 GCADHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)CCC(=O)NC1CCCC1 ZINC000414220342 530141331 /nfs/dbraw/zinc/14/13/31/530141331.db2.gz FOMGESLTLLGGNS-LBPRGKRZSA-N 0 3 376.475 0.306 20 0 GCADHN CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)C(C)C(=O)NCC(=O)OC(C)C ZINC000414227946 530141386 /nfs/dbraw/zinc/14/13/86/530141386.db2.gz PSOSSMSGDUFNLH-NWDGAFQWSA-N 0 3 378.491 0.551 20 0 GCADHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)[C@@H](C)C(=O)NCC(=O)OC(C)C ZINC000414227946 530141388 /nfs/dbraw/zinc/14/13/88/530141388.db2.gz PSOSSMSGDUFNLH-NWDGAFQWSA-N 0 3 378.491 0.551 20 0 GCADHN CC(C)OC(=O)CNC(=O)[C@H](C)S(=O)(=O)C(C)C(=O)N1CCCCC1 ZINC000414230900 530141805 /nfs/dbraw/zinc/14/18/05/530141805.db2.gz UIKSJVSEXOTJTI-QWHCGFSZSA-N 0 3 376.475 0.259 20 0 GCADHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)[C@H](C)C(=O)N1CCCCC1 ZINC000414230900 530141806 /nfs/dbraw/zinc/14/18/06/530141806.db2.gz UIKSJVSEXOTJTI-QWHCGFSZSA-N 0 3 376.475 0.259 20 0 GCADHN CCS(=O)(=O)N(C)CCCNCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414281369 530141876 /nfs/dbraw/zinc/14/18/76/530141876.db2.gz FUIZYMZCBKDZJE-UHFFFAOYSA-N 0 3 383.923 0.749 20 0 GCADHN CCN1CCC(NC(=O)CN(CCCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000533520513 530141989 /nfs/dbraw/zinc/14/19/89/530141989.db2.gz CBIHTFGKJUZBPU-MRXNPFEDSA-N 0 3 375.535 0.113 20 0 GCADHN C[C@@H](N)[C@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000647876309 530142588 /nfs/dbraw/zinc/14/25/88/530142588.db2.gz VPJBEEZDMFQAOG-ZWNOBZJWSA-N 0 3 391.287 0.797 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cn1cc(Br)cn1 ZINC000263697312 530143953 /nfs/dbraw/zinc/14/39/53/530143953.db2.gz NWCBXNBZTYCASR-ZDUSSCGKSA-N 0 3 386.294 0.705 20 0 GCADHN COCCN(C)CCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000263710504 530144396 /nfs/dbraw/zinc/14/43/96/530144396.db2.gz DFXIRRJYYCIGMY-UHFFFAOYSA-N 0 3 375.516 0.841 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000530531803 530144687 /nfs/dbraw/zinc/14/46/87/530144687.db2.gz GSKHMCSHNFYOHT-GFCCVEGCSA-N 0 3 392.547 0.259 20 0 GCADHN CN(CCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C1CC1 ZINC000263873033 530147887 /nfs/dbraw/zinc/14/78/87/530147887.db2.gz MXXDOFXTJOUVMA-UHFFFAOYSA-N 0 3 383.250 0.103 20 0 GCADHN CCc1nc(S(=O)(=O)C(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)sc1C ZINC000650194507 530149736 /nfs/dbraw/zinc/14/97/36/530149736.db2.gz JQGJNKFNUNOJED-QWRGUYRKSA-N 0 3 394.540 0.822 20 0 GCADHN CC(C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)S(C)(=O)=O ZINC000264126667 530152140 /nfs/dbraw/zinc/15/21/40/530152140.db2.gz DREYQMJTNXLDFQ-YPMHNXCESA-N 0 3 392.474 0.528 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655346893 530189098 /nfs/dbraw/zinc/18/90/98/530189098.db2.gz LIPHOHRKHOCFRM-VXGBXAGGSA-N 0 3 385.262 0.845 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655346893 530189101 /nfs/dbraw/zinc/18/91/01/530189101.db2.gz LIPHOHRKHOCFRM-VXGBXAGGSA-N 0 3 385.262 0.845 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)COCc2ccccc2F)C1 ZINC000265770580 530189842 /nfs/dbraw/zinc/18/98/42/530189842.db2.gz CKRADLVQFZVLSH-ZFWWWQNUSA-N 0 3 375.466 0.208 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(Br)o2)CC1=O ZINC000556926064 530190061 /nfs/dbraw/zinc/19/00/61/530190061.db2.gz VRYQOTVKEHUIMP-NSHDSACASA-N 0 3 388.262 0.951 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(Br)o2)CC1=O ZINC000556926063 530190262 /nfs/dbraw/zinc/19/02/62/530190262.db2.gz VRYQOTVKEHUIMP-LLVKDONJSA-N 0 3 388.262 0.951 20 0 GCADHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000055406127 530193704 /nfs/dbraw/zinc/19/37/04/530193704.db2.gz VFDOOWGWVNDLDP-WDEREUQCSA-N 0 3 387.278 0.536 20 0 GCADHN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000055406127 530193705 /nfs/dbraw/zinc/19/37/05/530193705.db2.gz VFDOOWGWVNDLDP-WDEREUQCSA-N 0 3 387.278 0.536 20 0 GCADHN CC(C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O ZINC000048006612 530196352 /nfs/dbraw/zinc/19/63/52/530196352.db2.gz KUWXDRWBNJJCLP-ZDUSSCGKSA-N 0 3 388.511 0.911 20 0 GCADHN C[C@H](C[S@](C)=O)Nc1nc(N[C@@H](C)C[S@@](C)=O)nc(NC(C)(C)C)n1 ZINC000557632438 530198740 /nfs/dbraw/zinc/19/87/40/530198740.db2.gz TYXOWJRNTDWKKW-MSCYNOAHSA-N 0 3 390.579 0.284 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCCCN(C)C1 ZINC000625420028 530198791 /nfs/dbraw/zinc/19/87/91/530198791.db2.gz CJXXJEKHGXSQSI-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN CN(C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000266674534 530203204 /nfs/dbraw/zinc/20/32/04/530203204.db2.gz RONFNBCFOZGIFG-UHFFFAOYSA-N 0 3 391.877 0.380 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1F ZINC000624408528 530203886 /nfs/dbraw/zinc/20/38/86/530203886.db2.gz XCEAJXXFAHZNNC-UHFFFAOYSA-N 0 3 397.494 0.621 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)NCCOCCS(C)(=O)=O)o1 ZINC000266801397 530204449 /nfs/dbraw/zinc/20/44/49/530204449.db2.gz OBQLMSLLQDCIQV-UHFFFAOYSA-N 0 3 375.491 0.722 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000264565799 530161500 /nfs/dbraw/zinc/16/15/00/530161500.db2.gz RLBOHMJJZVRKEI-CQSZACIVSA-N 0 3 389.905 0.797 20 0 GCADHN CCN1CCN(CCCNC(=O)c2sccc2S(=O)(=O)N(C)C)CC1 ZINC000264714584 530165315 /nfs/dbraw/zinc/16/53/15/530165315.db2.gz GVPXTNKQTNVKDK-UHFFFAOYSA-N 0 3 388.559 0.756 20 0 GCADHN C[C@H](CNC(=O)c1sccc1S(=O)(=O)N(C)C)CN1CCN(C)CC1 ZINC000264741784 530166095 /nfs/dbraw/zinc/16/60/95/530166095.db2.gz GQKBKIYWXVMOOX-CYBMUJFWSA-N 0 3 388.559 0.612 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)CCn3cc(Br)cn3)C2)nn1 ZINC000647087309 530169836 /nfs/dbraw/zinc/16/98/36/530169836.db2.gz DGWPHCMRTKJYFT-ZDUSSCGKSA-N 0 3 382.266 0.950 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C)C[C@H]1CN ZINC000584230465 530205932 /nfs/dbraw/zinc/20/59/32/530205932.db2.gz HIKIDYVHRQIEHC-NXEZZACHSA-N 0 3 389.319 0.730 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)CCn3cc(Br)ccc3=O)C[C@H]2N)cn1 ZINC000584047763 530171212 /nfs/dbraw/zinc/17/12/12/530171212.db2.gz XQZLOFBEYADKCG-UONOGXRCSA-N 0 3 394.273 0.688 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000500350820 530176372 /nfs/dbraw/zinc/17/63/72/530176372.db2.gz AVEIMVWFPJBXPH-GFCCVEGCSA-N 0 3 377.536 0.444 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)NCCCCN2CCN(C)CC2)c1 ZINC000609314551 530177545 /nfs/dbraw/zinc/17/75/45/530177545.db2.gz NBAYDCRTAXQBND-UHFFFAOYSA-N 0 3 375.516 0.841 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CCO1 ZINC000265340833 530180042 /nfs/dbraw/zinc/18/00/42/530180042.db2.gz HZGWWPQVOYKMFH-KGLIPLIRSA-N 0 3 387.527 0.690 20 0 GCADHN CCN(CC)CCNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000265370269 530180586 /nfs/dbraw/zinc/18/05/86/530180586.db2.gz GSYDLMKTYZLFLA-UHFFFAOYSA-N 0 3 377.413 0.765 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2N(C)C)cc1C ZINC000414466596 530222515 /nfs/dbraw/zinc/22/25/15/530222515.db2.gz WFHOOZWOWMNSSC-KBPBESRZSA-N 0 3 375.516 0.664 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2sccc2OC)CC1 ZINC000268362194 530225781 /nfs/dbraw/zinc/22/57/81/530225781.db2.gz CUYZKSKILNZFMD-UHFFFAOYSA-N 0 3 375.516 0.931 20 0 GCADHN COC(=O)C(C)(C)CS(=O)(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000588896014 530226776 /nfs/dbraw/zinc/22/67/76/530226776.db2.gz HVTMZVWCTDGFAO-CABCVRRESA-N 0 3 376.519 0.873 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCOc3cccc(Br)c3)CCN2C1=O ZINC000521070890 530228153 /nfs/dbraw/zinc/22/81/53/530228153.db2.gz QOEYTRBXCRGJRJ-TZMCWYRMSA-N 0 3 397.273 0.781 20 0 GCADHN O=S(=O)(CCNS(=O)(=O)c1ccccc1)N[C@H]1CCN2CCCC[C@H]12 ZINC000268564760 530229099 /nfs/dbraw/zinc/22/90/99/530229099.db2.gz AGMUHBMMSOVWOM-JKSUJKDBSA-N 0 3 387.527 0.511 20 0 GCADHN CCN(CC)[C@H]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000268628044 530230642 /nfs/dbraw/zinc/23/06/42/530230642.db2.gz NYMSMDQLCKMUHJ-HNNXBMFYSA-N 0 3 389.543 0.711 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000268781934 530232584 /nfs/dbraw/zinc/23/25/84/530232584.db2.gz ITCUQFQJCLUGAG-CZUORRHYSA-N 0 3 387.527 0.700 20 0 GCADHN C[C@H](NCCCS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268822416 530233085 /nfs/dbraw/zinc/23/30/85/530233085.db2.gz AGTBEFQDWFQGAW-AWEZNQCLSA-N 0 3 390.527 0.793 20 0 GCADHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000269070328 530234826 /nfs/dbraw/zinc/23/48/26/530234826.db2.gz ZVUXKGWMMHCLKK-OCCSQVGLSA-N 0 3 375.516 0.669 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000269150736 530235619 /nfs/dbraw/zinc/23/56/19/530235619.db2.gz RSCFCCHJTSTHBR-CJNGLKHVSA-N 0 3 387.527 0.700 20 0 GCADHN CSCC[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000269259476 530236923 /nfs/dbraw/zinc/23/69/23/530236923.db2.gz VIBFQRQKUXVWAC-OAHLLOKOSA-N 0 3 386.543 0.642 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)[C@H](CN)C1 ZINC000518736755 530239015 /nfs/dbraw/zinc/23/90/15/530239015.db2.gz SAXGUNWDHJCWJH-CYBMUJFWSA-N 0 3 399.289 0.045 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 ZINC000269356291 530239081 /nfs/dbraw/zinc/23/90/81/530239081.db2.gz MNWJJRNDZHLTQB-ZDUSSCGKSA-N 0 3 390.531 0.389 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccs2)C1 ZINC000269534815 530242668 /nfs/dbraw/zinc/24/26/68/530242668.db2.gz ZQWXBJPAMTWFLD-GFCCVEGCSA-N 0 3 376.504 0.046 20 0 GCADHN CCN1CCN(CCCNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000098035815 530245639 /nfs/dbraw/zinc/24/56/39/530245639.db2.gz IGOIQOOEAYDVDB-UHFFFAOYSA-N 0 3 396.293 0.644 20 0 GCADHN C[C@@H](N)[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CCO1 ZINC000647234447 530248083 /nfs/dbraw/zinc/24/80/83/530248083.db2.gz RFYKDLOYRVHXQP-MFKMUULPSA-N 0 3 396.918 0.621 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000069044435 530210231 /nfs/dbraw/zinc/21/02/31/530210231.db2.gz LCABWHXTIUJMAI-NSHDSACASA-N 0 3 387.278 0.536 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000069044435 530210233 /nfs/dbraw/zinc/21/02/33/530210233.db2.gz LCABWHXTIUJMAI-NSHDSACASA-N 0 3 387.278 0.536 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000267239452 530210960 /nfs/dbraw/zinc/21/09/60/530210960.db2.gz XTVYQGXFIDACBF-INIZCTEOSA-N 0 3 386.543 0.831 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NCCCN(C)Cc1ccccc1 ZINC000267552899 530213773 /nfs/dbraw/zinc/21/37/73/530213773.db2.gz HEFAXQRQWOGBBU-UHFFFAOYSA-N 0 3 377.532 0.367 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)c3ccncc32)cc1 ZINC000267759613 530216491 /nfs/dbraw/zinc/21/64/91/530216491.db2.gz QSDFLCNIRHQGQU-UHFFFAOYSA-N 0 3 382.467 0.635 20 0 GCADHN CN(C)CCN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000267873394 530217584 /nfs/dbraw/zinc/21/75/84/530217584.db2.gz LBPCGHGECWUJBC-UHFFFAOYSA-N 0 3 375.516 0.332 20 0 GCADHN O=S1(=O)CCO[C@@H](CNC[C@@H](O)COc2cccc(Br)c2)C1 ZINC000566112189 530221969 /nfs/dbraw/zinc/22/19/69/530221969.db2.gz RRIYMFVEAGRIBE-OCCSQVGLSA-N 0 3 394.287 0.592 20 0 GCADHN C[C@@H](CNC(=O)CCNS(=O)(=O)c1cccs1)CN1CCN(C)CC1 ZINC000121788084 530271895 /nfs/dbraw/zinc/27/18/95/530271895.db2.gz MDCLGNMXOOALKW-AWEZNQCLSA-N 0 3 388.559 0.416 20 0 GCADHN C[C@@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271486809 530273024 /nfs/dbraw/zinc/27/30/24/530273024.db2.gz JVDOFSGQCZJEHW-ZIAGYGMSSA-N 0 3 389.543 0.869 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000123678677 530274606 /nfs/dbraw/zinc/27/46/06/530274606.db2.gz WKFTXGPIYQQOLD-NSHDSACASA-N 0 3 399.289 0.934 20 0 GCADHN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C(=O)NC1CNC1 ZINC000561257086 530275657 /nfs/dbraw/zinc/27/56/57/530275657.db2.gz XTQKRQHQNYKQQD-UHFFFAOYSA-N 0 3 393.245 0.076 20 0 GCADHN CN1CC=C(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000271804889 530276146 /nfs/dbraw/zinc/27/61/46/530276146.db2.gz DXJFSXIAOYJREB-UHFFFAOYSA-N 0 3 385.511 0.761 20 0 GCADHN CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1cc(Br)cn(C)c1=O)CC2 ZINC000125414393 530277587 /nfs/dbraw/zinc/27/75/87/530277587.db2.gz IUNGNUXOGPYFCR-NEPJUHHUSA-N 0 3 397.273 0.781 20 0 GCADHN CS[C@@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C[C@H]1N(C)C ZINC000272028351 530277933 /nfs/dbraw/zinc/27/79/33/530277933.db2.gz MNNVDPGGVCAFFX-HUUCEWRRSA-N 0 3 386.543 0.558 20 0 GCADHN CS[C@@H]1CN(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C[C@@H]1N(C)C ZINC000272005184 530277941 /nfs/dbraw/zinc/27/79/41/530277941.db2.gz IYBBBAJOKDXUHV-UONOGXRCSA-N 0 3 386.543 0.558 20 0 GCADHN CN1CCN(CCCNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000561476007 530279074 /nfs/dbraw/zinc/27/90/74/530279074.db2.gz HHTMFCVOSCTIPG-UHFFFAOYSA-N 0 3 388.921 0.372 20 0 GCADHN C[C@H]1CNCCN1C(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000126148946 530279278 /nfs/dbraw/zinc/27/92/78/530279278.db2.gz DEVFGVVRXLIFJV-QMMMGPOBSA-N 0 3 382.305 0.609 20 0 GCADHN C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000272197016 530279451 /nfs/dbraw/zinc/27/94/51/530279451.db2.gz OPWSNVZOHPCPRZ-JTQLQIEISA-N 0 3 387.278 0.900 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)CCSC1 ZINC000531128489 530282036 /nfs/dbraw/zinc/28/20/36/530282036.db2.gz RFCHBJYWIGZUCI-IAGOWNOFSA-N 0 3 388.603 0.931 20 0 GCADHN CN(C)CCN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000272766462 530282939 /nfs/dbraw/zinc/28/29/39/530282939.db2.gz GTQWOTZCCBANCB-HIFRSBDPSA-N 0 3 389.905 0.484 20 0 GCADHN CCN(C)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000273007568 530284791 /nfs/dbraw/zinc/28/47/91/530284791.db2.gz QNZIKVPTYLWACK-HIFRSBDPSA-N 0 3 389.905 0.532 20 0 GCADHN O=S(=O)(NC[C@@H]1C[C@H](F)CN1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000647304096 530285384 /nfs/dbraw/zinc/28/53/84/530285384.db2.gz WSTGAUUIXWCJIQ-STQMWFEESA-N 0 3 391.490 0.449 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCC2(SC)CCN(C)CC2)cn1C ZINC000562070459 530287668 /nfs/dbraw/zinc/28/76/68/530287668.db2.gz OYHICYKGKOBYDT-UHFFFAOYSA-N 0 3 375.516 0.917 20 0 GCADHN CS[C@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@H]1N1CCCC1 ZINC000273470590 530288737 /nfs/dbraw/zinc/28/87/37/530288737.db2.gz GXRHNTZEBFNNMH-HIFRSBDPSA-N 0 3 387.527 0.981 20 0 GCADHN CN1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@@H](CN)C1 ZINC000658372849 530288759 /nfs/dbraw/zinc/28/87/59/530288759.db2.gz OUGCIVRKRQNGBE-LBPRGKRZSA-N 0 3 380.283 0.993 20 0 GCADHN CSC1(CNC(=O)CSCC(=O)N2CCOCC2)CCN(C)CC1 ZINC000562252448 530289917 /nfs/dbraw/zinc/28/99/17/530289917.db2.gz JVRQVULPMJJPRE-UHFFFAOYSA-N 0 3 375.560 0.522 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000269895437 530253804 /nfs/dbraw/zinc/25/38/04/530253804.db2.gz LIODNINOTSCUHS-AWEZNQCLSA-N 0 3 376.226 0.956 20 0 GCADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000588931124 530253878 /nfs/dbraw/zinc/25/38/78/530253878.db2.gz YSOBJBXTLCCHAD-OAHLLOKOSA-N 0 3 375.535 0.665 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CNCC[C@@H]1c1cccc(F)c1 ZINC000658391807 530254159 /nfs/dbraw/zinc/25/41/59/530254159.db2.gz FFAKMEYOBNDJJK-HUUCEWRRSA-N 0 3 393.506 0.130 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000269941541 530254702 /nfs/dbraw/zinc/25/47/02/530254702.db2.gz UDOBBFUIJMEASF-AWEZNQCLSA-N 0 3 376.226 0.956 20 0 GCADHN O=C(N[C@H]1CNCCC1(F)F)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000564957107 530256787 /nfs/dbraw/zinc/25/67/87/530256787.db2.gz ZQJHZULETCXVPL-NSHDSACASA-N 0 3 395.453 0.496 20 0 GCADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000134010179 530293405 /nfs/dbraw/zinc/29/34/05/530293405.db2.gz XECCZWUHSMXAKD-NSHDSACASA-N 0 3 399.289 0.887 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c(OC)c1 ZINC000564963554 530259567 /nfs/dbraw/zinc/25/95/67/530259567.db2.gz NQGQOUHZZTYCGE-QWRGUYRKSA-N 0 3 379.504 0.861 20 0 GCADHN CN(C)CCN(C)C(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC000625969675 530260196 /nfs/dbraw/zinc/26/01/96/530260196.db2.gz OMASUVOZTJCISR-UHFFFAOYSA-N 0 3 375.516 0.527 20 0 GCADHN CC(C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000560079115 530260382 /nfs/dbraw/zinc/26/03/82/530260382.db2.gz VFBMEKOVTRAQDL-OCCSQVGLSA-N 0 3 389.495 0.689 20 0 GCADHN CON(C)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000270620081 530262146 /nfs/dbraw/zinc/26/21/46/530262146.db2.gz GNNMAWVSSYHNMX-LSDHHAIUSA-N 0 3 387.527 0.986 20 0 GCADHN Cc1cc(S(=O)(=O)NCCNC(=O)N2C[C@H]3CCN(C)[C@H]3C2)c(C)s1 ZINC000333607703 530262960 /nfs/dbraw/zinc/26/29/60/530262960.db2.gz NOFZBESMDOXANZ-KGLIPLIRSA-N 0 3 386.543 0.989 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000270714438 530263240 /nfs/dbraw/zinc/26/32/40/530263240.db2.gz GYYRYPDWWWTGPG-GJZGRUSLSA-N 0 3 387.527 0.986 20 0 GCADHN COc1cc(Br)cc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000270831202 530264551 /nfs/dbraw/zinc/26/45/51/530264551.db2.gz GNWMTTMVOQKSID-OAHLLOKOSA-N 0 3 388.262 0.825 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000271233666 530269841 /nfs/dbraw/zinc/26/98/41/530269841.db2.gz RIGWIWDDRVVGAD-ZDUSSCGKSA-N 0 3 385.511 0.530 20 0 GCADHN CN(CCC1CCN(c2ccncc2)CC1)S(=O)(=O)CCS(C)(=O)=O ZINC000271256248 530270301 /nfs/dbraw/zinc/27/03/01/530270301.db2.gz JMNGQERAXBWUAP-UHFFFAOYSA-N 0 3 389.543 0.994 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000562811191 530295842 /nfs/dbraw/zinc/29/58/42/530295842.db2.gz FLEHFKJEEARZOF-MFKMUULPSA-N 0 3 390.868 0.761 20 0 GCADHN C[C@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000274438852 530296512 /nfs/dbraw/zinc/29/65/12/530296512.db2.gz PPJNXIBBBRJNBV-ZYHUDNBSSA-N 0 3 375.878 0.874 20 0 GCADHN COCCN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000142449911 530301797 /nfs/dbraw/zinc/30/17/97/530301797.db2.gz XFTMFGDRUQIRCS-LBPRGKRZSA-N 0 3 375.516 0.642 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)CN2CCCC2)c1 ZINC000145868407 530303973 /nfs/dbraw/zinc/30/39/73/530303973.db2.gz GKFYSGYHQWGWNI-CYBMUJFWSA-N 0 3 375.516 0.605 20 0 GCADHN CSC[C@H](O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000275035764 530304953 /nfs/dbraw/zinc/30/49/53/530304953.db2.gz AXXQKWBJRVKKRD-CQSZACIVSA-N 0 3 387.527 0.708 20 0 GCADHN O=C(NCCCCN1CCC[C@@H]1CO)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635710512 530305569 /nfs/dbraw/zinc/30/55/69/530305569.db2.gz LYTYAUAVLCRBIK-JHJVBQTASA-N 0 3 386.436 0.563 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)COC3CNC3)C2=O)ccc1Br ZINC000569691508 530305823 /nfs/dbraw/zinc/30/58/23/530305823.db2.gz MWTKKAOGWLPDHC-AWEZNQCLSA-N 0 3 382.258 0.967 20 0 GCADHN C[NH2+][C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000151032636 530310731 /nfs/dbraw/zinc/31/07/31/530310731.db2.gz URWXGAHHHHRGMP-SECBINFHSA-N 0 3 396.332 0.999 20 0 GCADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCC1(SC)CCN(C)CC1 ZINC000569798756 530311287 /nfs/dbraw/zinc/31/12/87/530311287.db2.gz SBMAWZGQQOLLOM-ZDUSSCGKSA-N 0 3 378.564 0.537 20 0 GCADHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275424434 530311778 /nfs/dbraw/zinc/31/17/78/530311778.db2.gz DHRZCQPURURWMI-CYBMUJFWSA-N 0 3 377.532 0.946 20 0 GCADHN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572736274 530312139 /nfs/dbraw/zinc/31/21/39/530312139.db2.gz OLENGZBZMKJJDF-NWDGAFQWSA-N 0 3 377.388 0.946 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@@H]2C)cc1C ZINC000632369994 530312363 /nfs/dbraw/zinc/31/23/63/530312363.db2.gz TZYKPHQTFZGWHR-GXTWGEPZSA-N 0 3 375.516 0.616 20 0 GCADHN CN(C)C1(CN(C)S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCC1 ZINC000275608933 530313588 /nfs/dbraw/zinc/31/35/88/530313588.db2.gz MLNJBIBRABIQDM-UHFFFAOYSA-N 0 3 389.543 0.711 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000152715870 530314852 /nfs/dbraw/zinc/31/48/52/530314852.db2.gz ZXNWJCGHYGLIKW-AWEZNQCLSA-N 0 3 386.250 0.724 20 0 GCADHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275750877 530315418 /nfs/dbraw/zinc/31/54/18/530315418.db2.gz JCLHPUAUAUSTME-KBPBESRZSA-N 0 3 389.543 0.898 20 0 GCADHN CN(C)C1(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCC1 ZINC000275857379 530317157 /nfs/dbraw/zinc/31/71/57/530317157.db2.gz INEJIAUQXZHKCV-UHFFFAOYSA-N 0 3 387.527 0.983 20 0 GCADHN O=C(Nc1cc(Cl)ccc1I)C(=O)NC1CNC1 ZINC000570305632 530317904 /nfs/dbraw/zinc/31/79/04/530317904.db2.gz XRUGGZKDRUFWSZ-UHFFFAOYSA-N 0 3 379.585 0.971 20 0 GCADHN C[C@@H](N)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 ZINC000154856334 530319726 /nfs/dbraw/zinc/31/97/26/530319726.db2.gz UOTTXJKPFZFWNY-SNVBAGLBSA-N 0 3 387.221 0.923 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CNCCC1(F)F ZINC000644014839 530319967 /nfs/dbraw/zinc/31/99/67/530319967.db2.gz VJXKWLQQUXRWAU-LBPRGKRZSA-N 0 3 381.832 0.979 20 0 GCADHN CSC1(CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCN(C)CC1 ZINC000570613475 530322270 /nfs/dbraw/zinc/32/22/70/530322270.db2.gz VSDZENCPFGKCNI-CYBMUJFWSA-N 0 3 378.564 0.537 20 0 GCADHN C[C@@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000276957640 530327678 /nfs/dbraw/zinc/32/76/78/530327678.db2.gz PPJNXIBBBRJNBV-CMPLNLGQSA-N 0 3 375.878 0.874 20 0 GCADHN CCN1CCN(CCCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000281406024 530358757 /nfs/dbraw/zinc/35/87/57/530358757.db2.gz YYSPVSSJURXTSD-UHFFFAOYSA-N 0 3 388.921 0.745 20 0 GCADHN O=S(=O)([N-]CC[NH2+]C[C@H](O)Cn1cccn1)c1ccc(Cl)cc1F ZINC000644639727 530359404 /nfs/dbraw/zinc/35/94/04/530359404.db2.gz SAURKTTYSBPMER-LBPRGKRZSA-N 0 3 376.841 0.605 20 0 GCADHN COCC[C@H](C)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000644669246 530359894 /nfs/dbraw/zinc/35/98/94/530359894.db2.gz KDBODCPAWVNMEY-AWEZNQCLSA-N 0 3 392.543 0.973 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000176257629 530360163 /nfs/dbraw/zinc/36/01/63/530360163.db2.gz GWJXLLVWKVWNOG-UHFFFAOYSA-N 0 3 385.515 0.573 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281849310 530363713 /nfs/dbraw/zinc/36/37/13/530363713.db2.gz UINNSBVQOIMACN-ZDUSSCGKSA-N 0 3 388.559 0.557 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCC[NH2+]CC1 ZINC000178364411 530364199 /nfs/dbraw/zinc/36/41/99/530364199.db2.gz VRBXEQLXMAGRRA-UHFFFAOYSA-N 0 3 382.305 0.611 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000281924196 530364595 /nfs/dbraw/zinc/36/45/95/530364595.db2.gz LAHNSPPRCGDYAY-KGLIPLIRSA-N 0 3 387.527 0.700 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000282033360 530365969 /nfs/dbraw/zinc/36/59/69/530365969.db2.gz VLMVGLZNTDJKBH-KBPBESRZSA-N 0 3 387.527 0.700 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCN(CC2CC2)CC1 ZINC000282148103 530367915 /nfs/dbraw/zinc/36/79/15/530367915.db2.gz JXVYARUPZDOBJB-UHFFFAOYSA-N 0 3 387.527 0.747 20 0 GCADHN C[C@H]1NCCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)[C@@H]1C ZINC000277453304 530332274 /nfs/dbraw/zinc/33/22/74/530332274.db2.gz GTPAUROMKHRXQW-RNFRBKRXSA-N 0 3 382.305 0.980 20 0 GCADHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000161590480 530332321 /nfs/dbraw/zinc/33/23/21/530332321.db2.gz UCMJQOYWTTVJQW-LLVKDONJSA-N 0 3 387.278 0.393 20 0 GCADHN CC(C)C[N@H+]1CC[C@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000161590480 530332324 /nfs/dbraw/zinc/33/23/24/530332324.db2.gz UCMJQOYWTTVJQW-LLVKDONJSA-N 0 3 387.278 0.393 20 0 GCADHN CCN(CCO)CCNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277499780 530332530 /nfs/dbraw/zinc/33/25/30/530332530.db2.gz PIFWUXRZPXFBIQ-UHFFFAOYSA-N 0 3 377.894 0.857 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)C[C@@H](C)[NH3+])s1 ZINC000580073814 530332830 /nfs/dbraw/zinc/33/28/30/530332830.db2.gz VOMILEFKNOCRRP-GHMZBOCLSA-N 0 3 383.561 0.634 20 0 GCADHN CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@H](CN)C1 ZINC000162403051 530333178 /nfs/dbraw/zinc/33/31/78/530333178.db2.gz WMXPYFDQOUFCHX-CYBMUJFWSA-N 0 3 386.543 0.176 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)NC(C)(C)C)C1 ZINC000582132918 530368115 /nfs/dbraw/zinc/36/81/15/530368115.db2.gz CGIWJFWJRQSGQS-ZDUSSCGKSA-N 0 3 389.543 0.993 20 0 GCADHN COc1cc(CNCCCN(C)S(C)(=O)=O)cc(Cl)c1OCC(N)=O ZINC000030914331 530335339 /nfs/dbraw/zinc/33/53/39/530335339.db2.gz OGLLTRFBVWHLBT-UHFFFAOYSA-N 0 3 393.893 0.584 20 0 GCADHN N[C@H]1C[C@H]2CN(Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132904 530368261 /nfs/dbraw/zinc/36/82/61/530368261.db2.gz BTOATMMTWOBWGB-STQMWFEESA-N 0 3 392.257 0.201 20 0 GCADHN CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@H](CN)C1 ZINC000580190120 530337819 /nfs/dbraw/zinc/33/78/19/530337819.db2.gz UCSZAFFMSZEMSS-CHWSQXEVSA-N 0 3 395.301 0.903 20 0 GCADHN CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@H](CN)C1 ZINC000580190123 530338068 /nfs/dbraw/zinc/33/80/68/530338068.db2.gz UCSZAFFMSZEMSS-QWHCGFSZSA-N 0 3 395.301 0.903 20 0 GCADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000589628326 530345869 /nfs/dbraw/zinc/34/58/69/530345869.db2.gz LZNTXNBXOGHZEY-ZDUSSCGKSA-N 0 3 378.564 0.537 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000562996536 530346716 /nfs/dbraw/zinc/34/67/16/530346716.db2.gz LLSDWCOUIPPCRJ-VNHYZAJKSA-N 0 3 391.559 0.395 20 0 GCADHN COCCN(C)CCNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000279973750 530349413 /nfs/dbraw/zinc/34/94/13/530349413.db2.gz PWJIVMBIHGKJQT-ZDUSSCGKSA-N 0 3 387.278 0.853 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)S(C)(=O)=O ZINC000280091846 530350136 /nfs/dbraw/zinc/35/01/36/530350136.db2.gz ORMCHWVWUJAQAD-JOYOIKCWSA-N 0 3 389.271 0.882 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)s1 ZINC000280148844 530350626 /nfs/dbraw/zinc/35/06/26/530350626.db2.gz UGTXAVJZKBVRRL-LBPRGKRZSA-N 0 3 387.527 0.568 20 0 GCADHN CN(C)CCOCCNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623023083 530352748 /nfs/dbraw/zinc/35/27/48/530352748.db2.gz VDDINYHDPZKAPE-UHFFFAOYSA-N 0 3 383.250 0.733 20 0 GCADHN CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000173795197 530352900 /nfs/dbraw/zinc/35/29/00/530352900.db2.gz SMGLSIIHROYYJC-NSHDSACASA-N 0 3 387.278 0.489 20 0 GCADHN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000173795197 530352901 /nfs/dbraw/zinc/35/29/01/530352901.db2.gz SMGLSIIHROYYJC-NSHDSACASA-N 0 3 387.278 0.489 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)CN2CCNCC2)s1 ZINC000637981438 530353799 /nfs/dbraw/zinc/35/37/99/530353799.db2.gz SMNMSXNDDCSWPN-UHFFFAOYSA-N 0 3 388.559 0.343 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cnc1Br ZINC000182674833 530373177 /nfs/dbraw/zinc/37/31/77/530373177.db2.gz CJUOXAPFEWUDJV-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN CCN(CC)CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000580753180 530373502 /nfs/dbraw/zinc/37/35/02/530373502.db2.gz GNAUEWHIIUJDAG-UHFFFAOYSA-N 0 3 391.559 0.642 20 0 GCADHN C[C@@H](N)[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000669405861 530374634 /nfs/dbraw/zinc/37/46/34/530374634.db2.gz ZOUOQXHSEKHTIY-BXUZGUMPSA-N 0 3 375.878 0.871 20 0 GCADHN CC(C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000183722848 530374927 /nfs/dbraw/zinc/37/49/27/530374927.db2.gz LQLRUJYTDFZHTH-LDYMZIIASA-N 0 3 377.260 0.867 20 0 GCADHN CSc1cc(C(=O)CN2C(C)C(=O)N(C)S2(=O)=O)ccc1NC(C)=O ZINC000283015830 530376618 /nfs/dbraw/zinc/37/66/18/530376618.db2.gz LVJIXUJVFYFUDN-SECBINFHSA-N 0 3 385.467 0.957 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(Cl)c1Cl ZINC000580330466 530376905 /nfs/dbraw/zinc/37/69/05/530376905.db2.gz LBDYKNNBVFWMDU-IUCAKERBSA-N 0 3 394.280 0.935 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000185315544 530377111 /nfs/dbraw/zinc/37/71/11/530377111.db2.gz YKYZFOXHYGJGEF-GFCCVEGCSA-N 0 3 388.921 0.743 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000185308855 530377213 /nfs/dbraw/zinc/37/72/13/530377213.db2.gz WVPPDTVKMFYEGR-CQSZACIVSA-N 0 3 388.559 0.559 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(Cl)c1Cl ZINC000580330465 530377253 /nfs/dbraw/zinc/37/72/53/530377253.db2.gz LBDYKNNBVFWMDU-DTWKUNHWSA-N 0 3 394.280 0.935 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000283164054 530377870 /nfs/dbraw/zinc/37/78/70/530377870.db2.gz VWVMSFKZBYQVKX-VIFPVBQESA-N 0 3 380.451 0.816 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@@H](CN(C)C)C1 ZINC000283353373 530378943 /nfs/dbraw/zinc/37/89/43/530378943.db2.gz ZHGGSHMNHAVZCX-LBPRGKRZSA-N 0 3 376.500 0.671 20 0 GCADHN COc1cccc(CS(=O)(=O)C(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000283381213 530379338 /nfs/dbraw/zinc/37/93/38/530379338.db2.gz MUDHWGWCINGNGT-OCCSQVGLSA-N 0 3 389.495 0.644 20 0 GCADHN Cc1csc(NC(=O)CS(=O)(=O)C(C)C(=O)NC[C@@H]2CCCO2)n1 ZINC000283730082 530381308 /nfs/dbraw/zinc/38/13/08/530381308.db2.gz CFFLTDPCESTKPH-MNOVXSKESA-N 0 3 375.472 0.489 20 0 GCADHN C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)C(C)C)c(F)c2)C1 ZINC000497349995 530381946 /nfs/dbraw/zinc/38/19/46/530381946.db2.gz JOAPWVYTOMYINE-NSHDSACASA-N 0 3 379.479 0.958 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)[C@H]1CCC[NH2+]C1 ZINC000497354426 530382293 /nfs/dbraw/zinc/38/22/93/530382293.db2.gz GYRKDSNEDBEBCP-MNOVXSKESA-N 0 3 375.878 0.871 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1F ZINC000497354697 530382300 /nfs/dbraw/zinc/38/23/00/530382300.db2.gz LCKQARUAAAUHBZ-LLVKDONJSA-N 0 3 379.479 0.947 20 0 GCADHN COCCN(C)CCCNC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000283842588 530382320 /nfs/dbraw/zinc/38/23/20/530382320.db2.gz DBEDVYHAQZTBHC-UHFFFAOYSA-N 0 3 382.408 0.863 20 0 GCADHN COc1ccc(CN(C(=O)C(C)S(C)(=O)=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000497560260 530385435 /nfs/dbraw/zinc/38/54/35/530385435.db2.gz QDLRYLRSZXZQQW-JSGCOSHPSA-N 0 3 389.495 0.644 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000284765406 530386809 /nfs/dbraw/zinc/38/68/09/530386809.db2.gz MOWJLGPKYQHZMA-UHFFFAOYSA-N 0 3 398.305 0.926 20 0 GCADHN C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000582112344 530386822 /nfs/dbraw/zinc/38/68/22/530386822.db2.gz AQFXTSPJDYLPLZ-DOMZBBRYSA-N 0 3 397.317 0.598 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)CN1CCN(C)CC1 ZINC000191084968 530387591 /nfs/dbraw/zinc/38/75/91/530387591.db2.gz PSBOXYDBAXJQAO-GFCCVEGCSA-N 0 3 398.305 0.782 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)[C@H](N)CCSC)cc1 ZINC000497725787 530389031 /nfs/dbraw/zinc/38/90/31/530389031.db2.gz PAERJUANNUEPDG-CQSZACIVSA-N 0 3 375.516 0.308 20 0 GCADHN CC(C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1nnc(N)s1 ZINC000285080970 530389752 /nfs/dbraw/zinc/38/97/52/530389752.db2.gz KGVCMMRGJWQHEQ-NSHDSACASA-N 0 3 381.483 0.631 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1F ZINC000364300329 530389832 /nfs/dbraw/zinc/38/98/32/530389832.db2.gz CHCIWUOTUVTVAO-NSHDSACASA-N 0 3 395.478 0.324 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000192924043 530391992 /nfs/dbraw/zinc/39/19/92/530391992.db2.gz JUVJTUWDOSVWLJ-UHFFFAOYSA-N 0 3 384.278 0.536 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(I)cn1 ZINC000193282400 530392700 /nfs/dbraw/zinc/39/27/00/530392700.db2.gz LXCFNVQNCNHMCO-UHFFFAOYSA-N 0 3 376.198 0.693 20 0 GCADHN CN(C)CCN1CCC(NC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000181438946 530370948 /nfs/dbraw/zinc/37/09/48/530370948.db2.gz WXFYLHQZSIPFBK-UHFFFAOYSA-N 0 3 398.305 0.925 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@H](N)CCSC)c1 ZINC000497951663 530396284 /nfs/dbraw/zinc/39/62/84/530396284.db2.gz ASHGGRBZHNHWDU-ZWNOBZJWSA-N 0 3 388.515 0.118 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCN2CCC[C@H]2C1 ZINC000364724363 530400077 /nfs/dbraw/zinc/40/00/77/530400077.db2.gz OJVSRCOCQAWVTG-AWEZNQCLSA-N 0 3 387.527 0.796 20 0 GCADHN COCCCS(=O)(=O)[N-]CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000286819903 530404256 /nfs/dbraw/zinc/40/42/56/530404256.db2.gz SWBVQMVHIMZJHE-UHFFFAOYSA-N 0 3 376.504 0.505 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000497916550 530394641 /nfs/dbraw/zinc/39/46/41/530394641.db2.gz KNHKAWBLXURUHR-SNVBAGLBSA-N 0 3 379.791 0.961 20 0 GCADHN CS(=O)(=O)CC[C@@H](N)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000497903453 530394664 /nfs/dbraw/zinc/39/46/64/530394664.db2.gz MRHTUFPWSZRLCQ-MRXNPFEDSA-N 0 3 385.555 0.978 20 0 GCADHN NC(=O)NC(=O)CCNCc1ccc(Br)cc1N1CCOCC1 ZINC000591756695 530410604 /nfs/dbraw/zinc/41/06/04/530410604.db2.gz QVFUTRIRILPEQP-UHFFFAOYSA-N 0 3 385.262 0.960 20 0 GCADHN COCCN(CCN(C)C)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000591552046 530408967 /nfs/dbraw/zinc/40/89/67/530408967.db2.gz RKRKFNCKSSRYNZ-UHFFFAOYSA-N 0 3 378.539 0.458 20 0 GCADHN CC(C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)S(C)(=O)=O ZINC000288299671 530416717 /nfs/dbraw/zinc/41/67/17/530416717.db2.gz NMVMQOWECKAUFH-GHMZBOCLSA-N 0 3 380.513 0.451 20 0 GCADHN COC(=O)[C@@H]1CNCCCN1Cc1nnnn1-c1ccccc1Br ZINC000592488032 530417013 /nfs/dbraw/zinc/41/70/13/530417013.db2.gz GTOPLULCXSXTHY-ZDUSSCGKSA-N 0 3 395.261 0.762 20 0 GCADHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000288423836 530417783 /nfs/dbraw/zinc/41/77/83/530417783.db2.gz OQLZYNBBAHFBOL-ZDUSSCGKSA-N 0 3 377.532 0.993 20 0 GCADHN C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N(C)C ZINC000289458709 530424979 /nfs/dbraw/zinc/42/49/79/530424979.db2.gz GGGUNJFUFHKUHY-JTQLQIEISA-N 0 3 383.392 0.930 20 0 GCADHN CCCCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000593925033 530425702 /nfs/dbraw/zinc/42/57/02/530425702.db2.gz IYNZBMTZROMNKT-MRXNPFEDSA-N 0 3 375.535 0.665 20 0 GCADHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000289593045 530426265 /nfs/dbraw/zinc/42/62/65/530426265.db2.gz QYLKXXYHXKIGTN-CYBMUJFWSA-N 0 3 377.532 0.993 20 0 GCADHN CC(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(F)cccc1F ZINC000290496131 530433597 /nfs/dbraw/zinc/43/35/97/530433597.db2.gz JYLNQMICOXXIQU-QWRGUYRKSA-N 0 3 395.449 0.914 20 0 GCADHN CO[C@H](CN)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000290097331 530430237 /nfs/dbraw/zinc/43/02/37/530430237.db2.gz XHFZUOSAZWUDNF-ZYHUDNBSSA-N 0 3 385.262 0.995 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)NCCc1ccc(F)cc1 ZINC000291000030 530438001 /nfs/dbraw/zinc/43/80/01/530438001.db2.gz SVFUCACZSMZLSV-GFCCVEGCSA-N 0 3 379.475 0.722 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000290560352 530434516 /nfs/dbraw/zinc/43/45/16/530434516.db2.gz YNCVDVOWJSPRIF-CYBMUJFWSA-N 0 3 376.479 0.043 20 0 GCADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccnc2)C[C@@H]1N1CCCC1 ZINC000290600483 530434864 /nfs/dbraw/zinc/43/48/64/530434864.db2.gz DJSTXXFSQVMEEE-LSDHHAIUSA-N 0 3 384.527 0.398 20 0 GCADHN CC(C)(C)n1cc(Br)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000594879262 530442536 /nfs/dbraw/zinc/44/25/36/530442536.db2.gz LQMUXHJIWBBFPM-ONGXEEELSA-N 0 3 384.278 0.785 20 0 GCADHN CO[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1Br ZINC000594878410 530442650 /nfs/dbraw/zinc/44/26/50/530442650.db2.gz IBILQZFEHVZTDP-HONMWMINSA-N 0 3 382.258 0.907 20 0 GCADHN CO[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1Br ZINC000594878411 530442666 /nfs/dbraw/zinc/44/26/66/530442666.db2.gz IBILQZFEHVZTDP-SWHYSGLUSA-N 0 3 382.258 0.907 20 0 GCADHN COc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(OC)c1Br ZINC000594877580 530442710 /nfs/dbraw/zinc/44/27/10/530442710.db2.gz YWVNLINBRBAIKV-GHMZBOCLSA-N 0 3 398.257 0.850 20 0 GCADHN Cc1ccc(Br)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594874562 530443080 /nfs/dbraw/zinc/44/30/80/530443080.db2.gz BIXDJMZTQHLAAD-NWDGAFQWSA-N 0 3 388.287 0.690 20 0 GCADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2F)C[C@@H]1N(C)C ZINC000291412051 530440703 /nfs/dbraw/zinc/44/07/03/530440703.db2.gz JSXSDCZMBNCFMD-STQMWFEESA-N 0 3 375.491 0.608 20 0 GCADHN CN(C)CCN1CCN(C(=O)c2c(I)cnn2C)CC1 ZINC000292236087 530445837 /nfs/dbraw/zinc/44/58/37/530445837.db2.gz LBMNYPBGCUANHY-UHFFFAOYSA-N 0 3 391.257 0.344 20 0 GCADHN COc1cc(Br)ccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595274185 530445228 /nfs/dbraw/zinc/44/52/28/530445228.db2.gz SEKASXNPHKRUTG-STQMWFEESA-N 0 3 397.273 0.911 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)CCN2C1=O ZINC000595240698 530445233 /nfs/dbraw/zinc/44/52/33/530445233.db2.gz WWQMLIMHIRUZEM-KWQFWETISA-N 0 3 389.214 0.841 20 0 GCADHN Cn1ncc(I)c1C(=O)NCCCN1CCN(C)CC1 ZINC000292169215 530445314 /nfs/dbraw/zinc/44/53/14/530445314.db2.gz HVXZITSSJGWRPX-UHFFFAOYSA-N 0 3 391.257 0.392 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(Br)ccc3F)CCN2C1=O ZINC000595242272 530445326 /nfs/dbraw/zinc/44/53/26/530445326.db2.gz PDCARWXUIGDVTJ-GXSJLCMTSA-N 0 3 399.220 0.297 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(Br)ccc3F)CCN2C1=O ZINC000595242275 530445368 /nfs/dbraw/zinc/44/53/68/530445368.db2.gz PDCARWXUIGDVTJ-ONGXEEELSA-N 0 3 399.220 0.297 20 0 GCADHN Cn1cc(Br)c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000293514113 530454280 /nfs/dbraw/zinc/45/42/80/530454280.db2.gz YDRUNEGGWLDXMS-GFCCVEGCSA-N 0 3 384.278 0.561 20 0 GCADHN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC[C@@H](CN2CCCC2)C1 ZINC000293006152 530451508 /nfs/dbraw/zinc/45/15/08/530451508.db2.gz HSOYXGQNVRJGRN-ZDUSSCGKSA-N 0 3 387.527 0.660 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)Nc2nnc3ccc(Br)cn32)CC1=O ZINC000296242366 530469141 /nfs/dbraw/zinc/46/91/41/530469141.db2.gz ONTGIMGGXZXKIO-SNVBAGLBSA-N 0 3 395.261 0.840 20 0 GCADHN CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000295258383 530462291 /nfs/dbraw/zinc/46/22/91/530462291.db2.gz GSAJLFZTBZJGDY-JTQLQIEISA-N 0 3 383.455 0.339 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000295258383 530462293 /nfs/dbraw/zinc/46/22/93/530462293.db2.gz GSAJLFZTBZJGDY-JTQLQIEISA-N 0 3 383.455 0.339 20 0 GCADHN C[NH2+]CCOCCNC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000638582276 530463537 /nfs/dbraw/zinc/46/35/37/530463537.db2.gz LSVYXBMFCOINID-OAHLLOKOSA-N 0 3 375.466 0.481 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3cc4c(cc3Br)OCO4)CCN2C1=O ZINC000598668870 530464693 /nfs/dbraw/zinc/46/46/93/530464693.db2.gz QSRVEVXHKKVFOH-KCJUWKMLSA-N 0 3 382.214 0.562 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3cc4c(cc3Br)OCO4)CCN2C1=O ZINC000598668869 530464741 /nfs/dbraw/zinc/46/47/41/530464741.db2.gz QSRVEVXHKKVFOH-GZMMTYOYSA-N 0 3 382.214 0.562 20 0 GCADHN CN(C)CCCS(=O)(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 ZINC000601515155 530478525 /nfs/dbraw/zinc/47/85/25/530478525.db2.gz HXAIAWWJHDYRIK-UHFFFAOYSA-N 0 3 387.571 0.622 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1 ZINC000298226238 530478957 /nfs/dbraw/zinc/47/89/57/530478957.db2.gz VVBFTIRGIOXQBB-UHFFFAOYSA-N 0 3 375.516 0.749 20 0 GCADHN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCN(C)C ZINC000298310794 530479584 /nfs/dbraw/zinc/47/95/84/530479584.db2.gz JROKHEJBWQHTHQ-CYBMUJFWSA-N 0 3 377.507 0.904 20 0 GCADHN CCOc1ccccc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000298340001 530479896 /nfs/dbraw/zinc/47/98/96/530479896.db2.gz HJSRBHAJULLNQS-TZMCWYRMSA-N 0 3 389.495 0.692 20 0 GCADHN CCOc1ccccc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000298339991 530479920 /nfs/dbraw/zinc/47/99/20/530479920.db2.gz HJSRBHAJULLNQS-GXTWGEPZSA-N 0 3 389.495 0.692 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000298523927 530481557 /nfs/dbraw/zinc/48/15/57/530481557.db2.gz XAHMKHDEOCBNKE-ZDUSSCGKSA-N 0 3 387.527 0.700 20 0 GCADHN COC(=O)CCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC(C)C ZINC000602766323 530485265 /nfs/dbraw/zinc/48/52/65/530485265.db2.gz PRXCOYDUVWRZGG-UHFFFAOYSA-N 0 3 377.507 0.048 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)CN2CCCCC2)cc1 ZINC000298840059 530484545 /nfs/dbraw/zinc/48/45/45/530484545.db2.gz FKWDVMFSRMSBTQ-CQSZACIVSA-N 0 3 389.543 0.995 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Cc3csc(CCC(F)(F)F)n3)CCN2C1=O ZINC000602532479 530484566 /nfs/dbraw/zinc/48/45/66/530484566.db2.gz ZKUJWLWTSWLWCV-GHMZBOCLSA-N 0 3 376.404 0.951 20 0 GCADHN CCO[C@@H]1C[C@H](NCCS(=O)(=O)NC[C@@H]2CCCCO2)[C@]12CCCO2 ZINC000638637738 530475293 /nfs/dbraw/zinc/47/52/93/530475293.db2.gz APXZPZQFJTXFQZ-MWDXBVQZSA-N 0 3 376.519 0.791 20 0 GCADHN O=C(c1ccc(I)cn1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599941505 530475926 /nfs/dbraw/zinc/47/59/26/530475926.db2.gz WPCHJQVLMPOOSV-NWDGAFQWSA-N 0 3 387.221 0.967 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000604766116 530498106 /nfs/dbraw/zinc/49/81/06/530498106.db2.gz LAXWHJVPPPPDOS-CQSZACIVSA-N 0 3 387.527 0.842 20 0 GCADHN CN(C)CCN1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000299062937 530487028 /nfs/dbraw/zinc/48/70/28/530487028.db2.gz BMHXUBIBBKUTEM-UHFFFAOYSA-N 0 3 382.266 0.206 20 0 GCADHN COCCN1CCC(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000299227425 530488452 /nfs/dbraw/zinc/48/84/52/530488452.db2.gz CNAFWDFYHVPHBJ-UHFFFAOYSA-N 0 3 389.543 0.680 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000522766014 530488811 /nfs/dbraw/zinc/48/88/11/530488811.db2.gz FLFJCDWWPJAMQL-CQSZACIVSA-N 0 3 378.564 0.539 20 0 GCADHN COCCN(C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000299313586 530489426 /nfs/dbraw/zinc/48/94/26/530489426.db2.gz WJCUTHGGQGCLTO-UHFFFAOYSA-N 0 3 375.466 0.774 20 0 GCADHN CCN(C(=O)NCCCCN1CCN(C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000603525256 530490878 /nfs/dbraw/zinc/49/08/78/530490878.db2.gz GWSNETVOIFKQJL-INIZCTEOSA-N 0 3 376.567 0.869 20 0 GCADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)S(=O)(=O)N1CCOCC1 ZINC000604443734 530496023 /nfs/dbraw/zinc/49/60/23/530496023.db2.gz GPMHEZAJAQAUFY-OAHLLOKOSA-N 0 3 377.507 0.303 20 0 GCADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)S(=O)(=O)N1CCOCC1 ZINC000604443733 530496137 /nfs/dbraw/zinc/49/61/37/530496137.db2.gz GPMHEZAJAQAUFY-HNNXBMFYSA-N 0 3 377.507 0.303 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000534726083 530496246 /nfs/dbraw/zinc/49/62/46/530496246.db2.gz PUSBGDBFAJLGGE-UHFFFAOYSA-N 0 3 389.543 0.722 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000534726083 530496248 /nfs/dbraw/zinc/49/62/48/530496248.db2.gz PUSBGDBFAJLGGE-UHFFFAOYSA-N 0 3 389.543 0.722 20 0 GCADHN COc1ccc(I)c(NC(=O)C(=O)N[C@@H](C)CN)c1 ZINC000415659598 530503738 /nfs/dbraw/zinc/50/37/38/530503738.db2.gz SEYKQXGMXUEBHY-ZETCQYMHSA-N 0 3 377.182 0.702 20 0 GCADHN CN(C(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1)C1CNC1 ZINC000415746539 530504490 /nfs/dbraw/zinc/50/44/90/530504490.db2.gz UCUYUMZIUJZJHX-UHFFFAOYSA-N 0 3 397.273 0.654 20 0 GCADHN CN(C(=O)C(=O)Nc1cc(F)c(I)c(F)c1)C1CNC1 ZINC000415745706 530504547 /nfs/dbraw/zinc/50/45/47/530504547.db2.gz RLQKSGWLPBUYQB-UHFFFAOYSA-N 0 3 395.147 0.938 20 0 GCADHN COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N(C)CCN ZINC000415881584 530505308 /nfs/dbraw/zinc/50/53/08/530505308.db2.gz UWPMJKDFBXKBGF-UHFFFAOYSA-N 0 3 376.182 0.730 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415870991 530505316 /nfs/dbraw/zinc/50/53/16/530505316.db2.gz UGYKQSKVSPJWKW-GFCCVEGCSA-N 0 3 382.258 0.981 20 0 GCADHN O=S(=O)([N-]CC[C@H]1CCC[NH2+]1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000440802306 530505383 /nfs/dbraw/zinc/50/53/83/530505383.db2.gz CTDHBHIQUFKPTP-CQSZACIVSA-N 0 3 387.527 0.892 20 0 GCADHN CCS(=O)(=O)NCCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000366802631 530505564 /nfs/dbraw/zinc/50/55/64/530505564.db2.gz XDMUQGDPNQTAEQ-AWEZNQCLSA-N 0 3 376.523 0.211 20 0 GCADHN CO[C@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@H](CN)C1 ZINC000440842019 530505577 /nfs/dbraw/zinc/50/55/77/530505577.db2.gz DCQFXHPFSZUNPU-QWRGUYRKSA-N 0 3 380.463 0.356 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]2)s1 ZINC000440831229 530505693 /nfs/dbraw/zinc/50/56/93/530505693.db2.gz MKQZSCNJQBZVSH-GFCCVEGCSA-N 0 3 395.572 0.650 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000606515675 530506802 /nfs/dbraw/zinc/50/68/02/530506802.db2.gz OVBJEQFYGMPWIA-UHFFFAOYSA-N 0 3 399.293 0.622 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)CCOCC2CCCC2)C1 ZINC000416385603 530508407 /nfs/dbraw/zinc/50/84/07/530508407.db2.gz KGCFEPUVAUFSHB-MRXNPFEDSA-N 0 3 375.535 0.700 20 0 GCADHN CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000416457538 530508890 /nfs/dbraw/zinc/50/88/90/530508890.db2.gz OKFRPGLMRXXXIC-UHFFFAOYSA-N 0 3 375.422 0.897 20 0 GCADHN COC1CCN(C2(CNC(=O)C(C)(C)NS(C)(=O)=O)CCCC2)CC1 ZINC000461114877 530509834 /nfs/dbraw/zinc/50/98/34/530509834.db2.gz ROPUWNNIMUENDI-UHFFFAOYSA-N 0 3 375.535 0.854 20 0 GCADHN CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1 ZINC000416494199 530510964 /nfs/dbraw/zinc/51/09/64/530510964.db2.gz HTFMQKZZOFKIAM-CYBMUJFWSA-N 0 3 375.516 0.605 20 0 GCADHN C[C@H]1C[C@H]([NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000638934694 530502127 /nfs/dbraw/zinc/50/21/27/530502127.db2.gz ANVZGJMFZHOQSO-YUMQZZPRSA-N 0 3 382.305 0.737 20 0 GCADHN Cc1nc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)sc1Br ZINC000572663857 530515425 /nfs/dbraw/zinc/51/54/25/530515425.db2.gz YLYAMDRAILSROZ-RKDXNWHRSA-N 0 3 388.291 0.667 20 0 GCADHN O=C(NCCNC(=O)c1ccc(Br)cc1)NC[C@@H]1CNCCO1 ZINC000417206448 530515730 /nfs/dbraw/zinc/51/57/30/530515730.db2.gz KLJNPZZROXNWKY-ZDUSSCGKSA-N 0 3 385.262 0.467 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000330614991 530523038 /nfs/dbraw/zinc/52/30/38/530523038.db2.gz UBGAJJKKFJLRTR-HZPDHXFCSA-N 0 3 389.543 0.887 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccoc2Br)CC1=O ZINC000425311110 530516758 /nfs/dbraw/zinc/51/67/58/530516758.db2.gz FPALBQCVENJTIZ-NSHDSACASA-N 0 3 388.262 0.951 20 0 GCADHN CN1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000534306343 530523061 /nfs/dbraw/zinc/52/30/61/530523061.db2.gz MWJDNVBLRSXEFJ-NSHDSACASA-N 0 3 375.878 0.824 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(Br)co2)CC1=O ZINC000425317964 530517095 /nfs/dbraw/zinc/51/70/95/530517095.db2.gz NUOVHAVEBVZMHI-GFCCVEGCSA-N 0 3 388.262 0.951 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000366184201 530517404 /nfs/dbraw/zinc/51/74/04/530517404.db2.gz TVDUBKKECUFREN-CYBMUJFWSA-N 0 3 391.515 0.085 20 0 GCADHN CN1CC[C@]2(CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)C2)C1 ZINC000366241116 530518010 /nfs/dbraw/zinc/51/80/10/530518010.db2.gz PBGKWEAGVIUAJE-HNNXBMFYSA-N 0 3 376.548 0.102 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000366291054 530518462 /nfs/dbraw/zinc/51/84/62/530518462.db2.gz WCTQPQNXRRFHLC-YABSGUDNSA-N 0 3 377.463 0.474 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000236586741 530518522 /nfs/dbraw/zinc/51/85/22/530518522.db2.gz SAZGKTGTOJJGJH-UHFFFAOYSA-N 0 3 385.262 0.290 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@@H]1CCC[NH2+]C1 ZINC000236625266 530518527 /nfs/dbraw/zinc/51/85/27/530518527.db2.gz ZZFTZYQELVNDPE-SECBINFHSA-N 0 3 396.332 0.905 20 0 GCADHN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCCNCC1 ZINC000236625448 530518584 /nfs/dbraw/zinc/51/85/84/530518584.db2.gz LVYSUNILLFRZEM-UHFFFAOYSA-N 0 3 390.303 0.939 20 0 GCADHN NC1(C(=O)NC[C@@H](O)COc2ccc(I)cc2)CC1 ZINC000237797834 530519959 /nfs/dbraw/zinc/51/99/59/530519959.db2.gz KNIKNFVEVNKYFJ-SNVBAGLBSA-N 0 3 376.194 0.638 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366464675 530521028 /nfs/dbraw/zinc/52/10/28/530521028.db2.gz VOLOQIGJPUNNDH-DNJQJEMRSA-N 0 3 377.388 0.706 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000408409403 530521287 /nfs/dbraw/zinc/52/12/87/530521287.db2.gz XPJWFAWGGMTMTO-AWEZNQCLSA-N 0 3 375.539 0.335 20 0 GCADHN Cc1cc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)ccc1Br ZINC000572586667 530546928 /nfs/dbraw/zinc/54/69/28/530546928.db2.gz CZVVZOADCVANKV-ZDUSSCGKSA-N 0 3 383.290 0.475 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1nc(C(F)(F)F)cs1 ZINC000572587056 530547342 /nfs/dbraw/zinc/54/73/42/530547342.db2.gz PGSJZBOINWFBDY-DTWKUNHWSA-N 0 3 379.408 0.440 20 0 GCADHN CCC[C@@]1(CO)CCCN1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000444769391 530547841 /nfs/dbraw/zinc/54/78/41/530547841.db2.gz AXCAYVPNALOZLY-KRWDZBQOSA-N 0 3 377.551 0.790 20 0 GCADHN CS(=O)(=O)N1CCC[C@@H]1CNCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000331347449 530548047 /nfs/dbraw/zinc/54/80/47/530548047.db2.gz MLMADCJDHOSWKA-LLVKDONJSA-N 0 3 381.907 0.501 20 0 GCADHN NS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000445092164 530548843 /nfs/dbraw/zinc/54/88/43/530548843.db2.gz XXWLSFHKXJDKAO-CQSZACIVSA-N 0 3 390.575 0.811 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CCC[NH3+])s1 ZINC000567861572 530549222 /nfs/dbraw/zinc/54/92/22/530549222.db2.gz DRTXLAODOSZQEY-LLVKDONJSA-N 0 3 383.561 0.636 20 0 GCADHN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000567862788 530549375 /nfs/dbraw/zinc/54/93/75/530549375.db2.gz UMLIAEXGWGIVOZ-MRVPVSSYSA-N 0 3 385.305 0.868 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000330691151 530523639 /nfs/dbraw/zinc/52/36/39/530523639.db2.gz YWHAIFQWGZZGFS-MRXNPFEDSA-N 0 3 376.567 0.690 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000563376764 530524422 /nfs/dbraw/zinc/52/44/22/530524422.db2.gz KFKHTNOCTOGNGY-UHFFFAOYSA-N 0 3 388.921 0.697 20 0 GCADHN CC[NH2+]CCNC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000567882385 530549952 /nfs/dbraw/zinc/54/99/52/530549952.db2.gz WQNIKRPBSMUTIS-CYBMUJFWSA-N 0 3 377.507 0.951 20 0 GCADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1I ZINC000563442720 530526280 /nfs/dbraw/zinc/52/62/80/530526280.db2.gz SGXLWLFNZONPFM-YPMHNXCESA-N 0 3 399.232 0.984 20 0 GCADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1I ZINC000563442718 530526300 /nfs/dbraw/zinc/52/63/00/530526300.db2.gz SGXLWLFNZONPFM-DGCLKSJQSA-N 0 3 399.232 0.984 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000563454976 530526431 /nfs/dbraw/zinc/52/64/31/530526431.db2.gz QUEIKCSLTRFHIH-AAEUAGOBSA-N 0 3 385.251 0.380 20 0 GCADHN Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000563443970 530526442 /nfs/dbraw/zinc/52/64/42/530526442.db2.gz ZPLRLTHWRFFBBJ-YPMHNXCESA-N 0 3 388.287 0.690 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C[C@@H]1O ZINC000563572276 530527102 /nfs/dbraw/zinc/52/71/02/530527102.db2.gz OPGYOEGZOHQFAH-UGFHNGPFSA-N 0 3 396.285 0.935 20 0 GCADHN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000571202434 530528634 /nfs/dbraw/zinc/52/86/34/530528634.db2.gz FZBJVHFKNOGHQQ-XESHVACXSA-N 0 3 375.535 0.219 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000408447456 530528740 /nfs/dbraw/zinc/52/87/40/530528740.db2.gz FEQXBAKBERSZAV-QLFBSQMISA-N 0 3 381.564 0.593 20 0 GCADHN O=C(NCc1cc(Cl)cc(I)c1)C(=O)NC1CNC1 ZINC000571276905 530528929 /nfs/dbraw/zinc/52/89/29/530528929.db2.gz BBPKMBLMYQYJSW-UHFFFAOYSA-N 0 3 393.612 0.649 20 0 GCADHN CN1CCC(NC(=O)C(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000571300177 530529687 /nfs/dbraw/zinc/52/96/87/530529687.db2.gz HOQMUFYXUFCSCW-UHFFFAOYSA-N 0 3 386.294 0.752 20 0 GCADHN N[C@H]1C[C@H]2CN(Cc3cc(Br)c4c(c3)OCCO4)CCN2C1=O ZINC000566490785 530530738 /nfs/dbraw/zinc/53/07/38/530530738.db2.gz JYMLHOUUQDZXLB-AAEUAGOBSA-N 0 3 382.258 0.964 20 0 GCADHN CC[C@@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H](C)O ZINC000567877529 530550216 /nfs/dbraw/zinc/55/02/16/530550216.db2.gz PTASQJWHZDGPKO-CHWSQXEVSA-N 0 3 378.516 0.460 20 0 GCADHN N[C@H]1C[C@@H]2CN(Cc3cc(Br)c4c(c3)OCCO4)CCN2C1=O ZINC000566490801 530531657 /nfs/dbraw/zinc/53/16/57/530531657.db2.gz JYMLHOUUQDZXLB-YPMHNXCESA-N 0 3 382.258 0.964 20 0 GCADHN CCS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000443295614 530532868 /nfs/dbraw/zinc/53/28/68/530532868.db2.gz OFYBCUOQZXRDHR-UHFFFAOYSA-N 0 3 390.527 0.463 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566677758 530532907 /nfs/dbraw/zinc/53/29/07/530532907.db2.gz RYSIDXPFMVIDEH-STQMWFEESA-N 0 3 387.527 0.629 20 0 GCADHN COCCN(CCOC)S(=O)(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000445750144 530550293 /nfs/dbraw/zinc/55/02/93/530550293.db2.gz ISOBMMNIRYRNLD-HUUCEWRRSA-N 0 3 381.564 0.338 20 0 GCADHN CCN(CCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)C1CC1 ZINC000566759803 530534079 /nfs/dbraw/zinc/53/40/79/530534079.db2.gz YQDRCFXZJWLSCT-HNNXBMFYSA-N 0 3 375.539 0.431 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@@H]1CCCOC1 ZINC000566835158 530534733 /nfs/dbraw/zinc/53/47/33/530534733.db2.gz KGLHRORSOKZHMX-AWEZNQCLSA-N 0 3 390.527 0.727 20 0 GCADHN C[C@@H]1Cc2cc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc(Cl)c2O1 ZINC000566807466 530534879 /nfs/dbraw/zinc/53/48/79/530534879.db2.gz CBFUTLKXRYSQSG-UDZFHETQSA-N 0 3 385.873 0.596 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)[C@@H](CN)C1 ZINC000566964059 530536261 /nfs/dbraw/zinc/53/62/61/530536261.db2.gz CZHYPYJUKHEWIC-NSHDSACASA-N 0 3 389.287 0.018 20 0 GCADHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000331058724 530537284 /nfs/dbraw/zinc/53/72/84/530537284.db2.gz RQHOGGJVBVBFQM-UHFFFAOYSA-N 0 3 375.926 0.964 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCCNS(=O)(=O)c1ccccc1 ZINC000331146101 530539143 /nfs/dbraw/zinc/53/91/43/530539143.db2.gz AGHPCSRPZAAXIE-CABCVRRESA-N 0 3 375.516 0.415 20 0 GCADHN CC(C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000444165111 530542253 /nfs/dbraw/zinc/54/22/53/530542253.db2.gz FYQMHOAEZJXGML-UHFFFAOYSA-N 0 3 375.516 0.746 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000331211321 530542500 /nfs/dbraw/zinc/54/25/00/530542500.db2.gz YPIJFDPFIBZWSD-HNNXBMFYSA-N 0 3 389.543 0.841 20 0 GCADHN CC(C)N(C)CCNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000444167155 530542813 /nfs/dbraw/zinc/54/28/13/530542813.db2.gz KXJTXPPIKSCZML-UHFFFAOYSA-N 0 3 384.424 0.936 20 0 GCADHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000331277543 530543143 /nfs/dbraw/zinc/54/31/43/530543143.db2.gz RWAGPQIWHRGRNC-HZSPNIEDSA-N 0 3 389.543 0.979 20 0 GCADHN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1C[C@H](F)CN1 ZINC000446212631 530552216 /nfs/dbraw/zinc/55/22/16/530552216.db2.gz YBGJJQCOTSGABH-CMPLNLGQSA-N 0 3 377.463 0.085 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(I)cn1)N(C)C ZINC000446432952 530552871 /nfs/dbraw/zinc/55/28/71/530552871.db2.gz MORAFCVRCLRJMT-MRVPVSSYSA-N 0 3 376.198 0.691 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000568154141 530553558 /nfs/dbraw/zinc/55/35/58/530553558.db2.gz VHFZMZQZMXPBMK-ZIAGYGMSSA-N 0 3 382.258 0.907 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639060969 530555373 /nfs/dbraw/zinc/55/53/73/530555373.db2.gz KCZVURXDTKFJET-UONOGXRCSA-N 0 3 378.878 0.898 20 0 GCADHN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000575003370 530555586 /nfs/dbraw/zinc/55/55/86/530555586.db2.gz LQOXETFPHIDFIL-PWSUYJOCSA-N 0 3 387.845 0.059 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H](C)CS(=O)(=O)CC ZINC000460220493 530556262 /nfs/dbraw/zinc/55/62/62/530556262.db2.gz HUXYNCQBTWEBDU-MRXNPFEDSA-N 0 3 376.567 0.869 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000673521036 530556482 /nfs/dbraw/zinc/55/64/82/530556482.db2.gz OCTRKFJZGXDUKS-LLVKDONJSA-N 0 3 390.253 0.747 20 0 GCADHN CSc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Cl ZINC000568283315 530557710 /nfs/dbraw/zinc/55/77/10/530557710.db2.gz KFUYLOBHQDJYOA-PWSUYJOCSA-N 0 3 382.873 0.771 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)CCN2C1=O ZINC000568268447 530557713 /nfs/dbraw/zinc/55/77/13/530557713.db2.gz XLRRWCCZHGTWTF-QPUJVOFHSA-N 0 3 392.250 0.521 20 0 GCADHN CNS(=O)(=O)C1CCN(C(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000568340453 530558486 /nfs/dbraw/zinc/55/84/86/530558486.db2.gz LQENWAPUZSFYLN-UHFFFAOYSA-N 0 3 378.564 0.537 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(OC)c1 ZINC000447244854 530559417 /nfs/dbraw/zinc/55/94/17/530559417.db2.gz BMSPPWSIBPMADM-VXGBXAGGSA-N 0 3 391.515 0.815 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1F ZINC000447245175 530559649 /nfs/dbraw/zinc/55/96/49/530559649.db2.gz LNNUVUQQSJTXTI-GWCFXTLKSA-N 0 3 379.479 0.944 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000447254621 530560103 /nfs/dbraw/zinc/56/01/03/530560103.db2.gz CCNZWQJYFWNDPE-GHMZBOCLSA-N 0 3 379.479 0.945 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1C(F)(F)F ZINC000563821898 530561806 /nfs/dbraw/zinc/56/18/06/530561806.db2.gz MBLQMCUFPLHWKN-MFKMUULPSA-N 0 3 377.388 0.946 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000447779357 530563300 /nfs/dbraw/zinc/56/33/00/530563300.db2.gz SPMFVSVEZFZHEX-BFYDXBDKSA-N 0 3 375.535 0.479 20 0 GCADHN CO[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@H](C[NH3+])C1 ZINC000568763608 530563311 /nfs/dbraw/zinc/56/33/11/530563311.db2.gz XFGDKCRCPJAGQY-VHSXEESVSA-N 0 3 381.907 0.645 20 0 GCADHN CO[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@H](C[NH3+])C1 ZINC000568763606 530563404 /nfs/dbraw/zinc/56/34/04/530563404.db2.gz XFGDKCRCPJAGQY-UWVGGRQHSA-N 0 3 381.907 0.645 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000447779359 530563425 /nfs/dbraw/zinc/56/34/25/530563425.db2.gz SPMFVSVEZFZHEX-UXLLHSPISA-N 0 3 375.535 0.479 20 0 GCADHN COCCNc1nc(NC[C@H]2CCSC2)nc(NC[C@@H]2CCSC2)n1 ZINC000447816954 530563456 /nfs/dbraw/zinc/56/34/56/530563456.db2.gz LTITVSWSWPRQED-BETUJISGSA-N 0 3 384.575 0.526 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccccc3I)CCN2C1=O ZINC000568883157 530564768 /nfs/dbraw/zinc/56/47/68/530564768.db2.gz DLBKQSWHLHEUEK-BXKDBHETSA-N 0 3 385.205 0.675 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCc3nc(C(F)(F)F)cs3)CCN2C1=O ZINC000569003382 530565850 /nfs/dbraw/zinc/56/58/50/530565850.db2.gz NEBDVEMILZOKMF-RKDXNWHRSA-N 0 3 377.392 0.658 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)[C@H](CN)C1 ZINC000569086983 530566583 /nfs/dbraw/zinc/56/65/83/530566583.db2.gz MJUAPOSGPMCUSH-BXKDBHETSA-N 0 3 387.267 0.644 20 0 GCADHN O=C(c1cc(I)ccc1-n1cnnn1)N1CCCNCC1 ZINC000569123354 530567281 /nfs/dbraw/zinc/56/72/81/530567281.db2.gz NPXJJNZVLOQKSJ-UHFFFAOYSA-N 0 3 398.208 0.702 20 0 GCADHN Cc1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1I ZINC000580347458 530568736 /nfs/dbraw/zinc/56/87/36/530568736.db2.gz XKBFVBMTYDOXDL-ZYHUDNBSSA-N 0 3 399.232 0.984 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3c(F)cccc3Br)CCN2C1=O ZINC000569259680 530569680 /nfs/dbraw/zinc/56/96/80/530569680.db2.gz IPOXOXDEBGLLKA-GZMMTYOYSA-N 0 3 399.220 0.297 20 0 GCADHN CCO[C@@H]1C[C@@H](NCC(=O)NCCCN(C)S(C)(=O)=O)C12CCCC2 ZINC000450961873 530571244 /nfs/dbraw/zinc/57/12/44/530571244.db2.gz BEUPZZYNWDPFIM-HUUCEWRRSA-N 0 3 375.535 0.712 20 0 GCADHN CCO[C@@H]1C[C@H](NCC(=O)NCCCN(C)S(C)(=O)=O)C12CCCC2 ZINC000450961875 530571420 /nfs/dbraw/zinc/57/14/20/530571420.db2.gz BEUPZZYNWDPFIM-LSDHHAIUSA-N 0 3 375.535 0.712 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@H]1CCSC1 ZINC000572834281 530571613 /nfs/dbraw/zinc/57/16/13/530571613.db2.gz BKETUGOOWBSKPZ-LBPRGKRZSA-N 0 3 378.541 0.806 20 0 GCADHN CCNC(=O)N1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)CC1 ZINC000451007828 530571960 /nfs/dbraw/zinc/57/19/60/530571960.db2.gz VREVVJNMBHAQOP-SNVBAGLBSA-N 0 3 389.396 0.547 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H](C)CS(=O)(=O)CC ZINC000451189559 530574973 /nfs/dbraw/zinc/57/49/73/530574973.db2.gz WLIBJGJJFSRAAE-UWVGGRQHSA-N 0 3 397.437 0.955 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)CCN2C1=O ZINC000573221442 530576863 /nfs/dbraw/zinc/57/68/63/530576863.db2.gz CZKCMJUWYHGXLX-CPCISQLKSA-N 0 3 389.214 0.841 20 0 GCADHN CCOC(=O)CC(C)(C)CCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000573229870 530577010 /nfs/dbraw/zinc/57/70/10/530577010.db2.gz IAIRTUGWUUAHGH-HUUCEWRRSA-N 0 3 376.519 0.443 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCCn1ccnc1 ZINC000573236516 530577187 /nfs/dbraw/zinc/57/71/87/530577187.db2.gz CGKDKLSKJMKCST-UHFFFAOYSA-N 0 3 386.499 0.197 20 0 GCADHN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000327754624 530578152 /nfs/dbraw/zinc/57/81/52/530578152.db2.gz HBSXUDYKNNGZBF-CVEARBPZSA-N 0 3 375.535 0.616 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(Br)c[nH]2)CC1=O ZINC000573346905 530578990 /nfs/dbraw/zinc/57/89/90/530578990.db2.gz CNOMNMAZONEVMA-LBPRGKRZSA-N 0 3 387.278 0.686 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000583534696 530579071 /nfs/dbraw/zinc/57/90/71/530579071.db2.gz AFFHHDRBXQOBPZ-CQSZACIVSA-N 0 3 393.575 0.923 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000451415066 530580127 /nfs/dbraw/zinc/58/01/27/530580127.db2.gz UMYKYGLFDMDSGL-GARJFASQSA-N 0 3 377.381 0.672 20 0 GCADHN CS(=O)(=O)N1CC[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000573496108 530581182 /nfs/dbraw/zinc/58/11/82/530581182.db2.gz PCEJQXPXNROEQE-AWEZNQCLSA-N 0 3 390.575 0.681 20 0 GCADHN COCCN(C(=O)CN[C@@H]1C[C@@](C)(OC)C1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000451489228 530581934 /nfs/dbraw/zinc/58/19/34/530581934.db2.gz NOPMQZYBXPTTLC-JJRVBVJISA-N 0 3 376.519 0.442 20 0 GCADHN COc1ccc(Br)c(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000582192921 530582645 /nfs/dbraw/zinc/58/26/45/530582645.db2.gz XYUSADCHHPPLNK-FZMZJTMJSA-N 0 3 382.258 0.771 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCNc3ncc(Cl)cc3Cl)CCN2C1=O ZINC000574466477 530591623 /nfs/dbraw/zinc/59/16/23/530591623.db2.gz HHHPSEJFKAKGBL-CMPLNLGQSA-N 0 3 387.271 0.754 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000536598783 530593470 /nfs/dbraw/zinc/59/34/70/530593470.db2.gz MGWFRTOLPJCYON-GFCCVEGCSA-N 0 3 390.531 0.816 20 0 GCADHN C[C@@H]1COCCN1CCN(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451989917 530595403 /nfs/dbraw/zinc/59/54/03/530595403.db2.gz PQVDSBJSEIXJSM-CYBMUJFWSA-N 0 3 375.466 0.504 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NCC[C@H]1CC[NH2+]C1 ZINC000417925354 530596099 /nfs/dbraw/zinc/59/60/99/530596099.db2.gz JQZQJSBNTLFJSP-SNVBAGLBSA-N 0 3 380.923 0.979 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000575244246 530598546 /nfs/dbraw/zinc/59/85/46/530598546.db2.gz SBUWXRIEQSXHDN-KGYLQXTDSA-N 0 3 383.499 0.102 20 0 GCADHN CC(C)N(CCCNC(=O)CN(C)[C@H]1CCN(C(C)C)C1)S(C)(=O)=O ZINC000452112332 530599804 /nfs/dbraw/zinc/59/98/04/530599804.db2.gz FYKNRPXMGTYLOS-INIZCTEOSA-N 0 3 376.567 0.577 20 0 GCADHN CSC1(CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CCN(C)CC1 ZINC000575794362 530600803 /nfs/dbraw/zinc/60/08/03/530600803.db2.gz CGPLTCDCTDGDAX-ZDUSSCGKSA-N 0 3 378.564 0.395 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3Br)CCN2C1=O ZINC000519785411 530601102 /nfs/dbraw/zinc/60/11/02/530601102.db2.gz XPXNHBFXKPCPON-ONGXEEELSA-N 0 3 392.250 0.521 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452376334 530603060 /nfs/dbraw/zinc/60/30/60/530603060.db2.gz OFFGHVWJWTZYNY-CVEARBPZSA-N 0 3 375.535 0.544 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)NC[C@H]1CCCN1CCCO ZINC000452353231 530603548 /nfs/dbraw/zinc/60/35/48/530603548.db2.gz UBGVHQKEDAQKMK-LLVKDONJSA-N 0 3 388.262 0.735 20 0 GCADHN C[C@H]([NH3+])[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000669541370 530604343 /nfs/dbraw/zinc/60/43/43/530604343.db2.gz YRMNOYDPSSNELR-VHSXEESVSA-N 0 3 396.922 0.437 20 0 GCADHN [NH3+]C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000669541274 530604452 /nfs/dbraw/zinc/60/44/52/530604452.db2.gz DGAKCNAGNCVFSP-VIFPVBQESA-N 0 3 382.895 0.049 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000669541358 530604479 /nfs/dbraw/zinc/60/44/79/530604479.db2.gz WJCZXJIFDMUWDP-QWRGUYRKSA-N 0 3 392.934 0.931 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000576135104 530605841 /nfs/dbraw/zinc/60/58/41/530605841.db2.gz HCFXEBDJJAVJDO-KGLIPLIRSA-N 0 3 397.273 0.620 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1CCCCN1CCO ZINC000452800005 530606551 /nfs/dbraw/zinc/60/65/51/530606551.db2.gz QVGZHCNLLSOWEC-KBPBESRZSA-N 0 3 381.564 0.010 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)N[C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000453278046 530607313 /nfs/dbraw/zinc/60/73/13/530607313.db2.gz HMZVOJRRNKAKII-DOMZBBRYSA-N 0 3 375.516 0.629 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)N[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000453278050 530607361 /nfs/dbraw/zinc/60/73/61/530607361.db2.gz HMZVOJRRNKAKII-SWLSCSKDSA-N 0 3 375.516 0.629 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)N[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000453278048 530607484 /nfs/dbraw/zinc/60/74/84/530607484.db2.gz HMZVOJRRNKAKII-IUODEOHRSA-N 0 3 375.516 0.629 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000576361972 530607828 /nfs/dbraw/zinc/60/78/28/530607828.db2.gz UGURQZOUTCVAAW-KOLCDFICSA-N 0 3 381.351 0.777 20 0 GCADHN Cc1cc(Br)ccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576411828 530608322 /nfs/dbraw/zinc/60/83/22/530608322.db2.gz UMUABPKZXRNZAW-VXGBXAGGSA-N 0 3 388.287 0.690 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)sc1Br ZINC000576480229 530608954 /nfs/dbraw/zinc/60/89/54/530608954.db2.gz LEBRFCBNERSOFP-IUCAKERBSA-N 0 3 394.316 0.752 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000576516473 530608987 /nfs/dbraw/zinc/60/89/87/530608987.db2.gz CXOWRVUXBFQYLW-KYOSRNDESA-N 0 3 387.527 0.770 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC1CC[NH+](C2CC2)CC1 ZINC000582215576 530615761 /nfs/dbraw/zinc/61/57/61/530615761.db2.gz ZJQWDXWTMVEAJS-UHFFFAOYSA-N 0 3 385.262 0.702 20 0 GCADHN CN1CCC(CCO)(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000576764341 530611784 /nfs/dbraw/zinc/61/17/84/530611784.db2.gz BVUWTIKCOHLVMK-UHFFFAOYSA-N 0 3 375.878 0.564 20 0 GCADHN CC(C)C[C@@H](CN1CCCC1)NC(=O)NCCNS(=O)(=O)NC(C)C ZINC000454868402 530612119 /nfs/dbraw/zinc/61/21/19/530612119.db2.gz IPZLJRYILGJFOP-HNNXBMFYSA-N 0 3 377.555 0.629 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000329471075 530612988 /nfs/dbraw/zinc/61/29/88/530612988.db2.gz ZGIJRCXFONWTSD-AWEZNQCLSA-N 0 3 390.531 0.346 20 0 GCADHN C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCCN(C)C ZINC000520459769 530613087 /nfs/dbraw/zinc/61/30/87/530613087.db2.gz HZQSSDUJMQDZFP-JTQLQIEISA-N 0 3 389.283 0.906 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000520551124 530613557 /nfs/dbraw/zinc/61/35/57/530613557.db2.gz KMAJSXZVFDNXSR-UHFFFAOYSA-N 0 3 381.274 0.940 20 0 GCADHN C[C@H](NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)C1=CCN(C)CC1 ZINC000576930884 530613803 /nfs/dbraw/zinc/61/38/03/530613803.db2.gz RXZKKKAHRMLFMX-JQWIXIFHSA-N 0 3 386.440 0.758 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1CCOC ZINC000451562032 530585133 /nfs/dbraw/zinc/58/51/33/530585133.db2.gz DSEBJVRUWLSQAV-GHMZBOCLSA-N 0 3 377.381 0.938 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)Cc3cccc(Br)c3)CCN2C1=O ZINC000577005877 530614723 /nfs/dbraw/zinc/61/47/23/530614723.db2.gz IDLCBDNJYDQJGG-CHWSQXEVSA-N 0 3 388.287 0.523 20 0 GCADHN CN1CCC[C@H](CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000574107945 530587318 /nfs/dbraw/zinc/58/73/18/530587318.db2.gz UUXPHQSGZPCPPT-CYBMUJFWSA-N 0 3 387.527 0.747 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cnc2C)C[C@@H]1N1CCCC1 ZINC000577624603 530622550 /nfs/dbraw/zinc/62/25/50/530622550.db2.gz OWQYUGIZAHYEBZ-LSDHHAIUSA-N 0 3 384.527 0.689 20 0 GCADHN CC[C@@H](O)CCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000577751470 530624332 /nfs/dbraw/zinc/62/43/32/530624332.db2.gz GSRVPMGXEBCWJI-CQSZACIVSA-N 0 3 392.543 0.851 20 0 GCADHN N[C@@H]1C[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769719 530624565 /nfs/dbraw/zinc/62/45/65/530624565.db2.gz UMSFBTGMQLEZGJ-KFWWJZLASA-N 0 3 393.285 0.798 20 0 GCADHN CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000330058917 530624879 /nfs/dbraw/zinc/62/48/79/530624879.db2.gz ZVHRFOPYBIUSRE-HNNXBMFYSA-N 0 3 393.575 0.594 20 0 GCADHN CCCCN(C(=O)CN[C@@]1(CCOC)CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC000577820989 530625359 /nfs/dbraw/zinc/62/53/59/530625359.db2.gz YEDYLPDGGRLSOE-WBVHZDCISA-N 0 3 376.519 0.587 20 0 GCADHN CC(C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1)S(=O)(=O)C1CCOCC1 ZINC000330092179 530626146 /nfs/dbraw/zinc/62/61/46/530626146.db2.gz YKYCKUJTMIGGHQ-KEYYUXOJSA-N 0 3 375.487 0.765 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000458211966 530630412 /nfs/dbraw/zinc/63/04/12/530630412.db2.gz BCRNHJXYFVTBHG-UHFFFAOYSA-N 0 3 385.515 0.350 20 0 GCADHN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CNC3)cc2)C1 ZINC000577952124 530634337 /nfs/dbraw/zinc/63/43/37/530634337.db2.gz SAVMSCUZNMXOGH-BETUJISGSA-N 0 3 387.527 0.603 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(CCCO)CC1 ZINC000577984140 530634576 /nfs/dbraw/zinc/63/45/76/530634576.db2.gz BFPWSRPOMZQEBP-LLVKDONJSA-N 0 3 376.397 0.200 20 0 GCADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000331620435 530634608 /nfs/dbraw/zinc/63/46/08/530634608.db2.gz RCARNFCQORRZGM-KKUMJFAQSA-N 0 3 391.559 0.770 20 0 GCADHN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578027152 530635458 /nfs/dbraw/zinc/63/54/58/530635458.db2.gz PZTHUOFPQMUVID-IINYFYTJSA-N 0 3 390.868 0.400 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CCC[NH2+]C(C)C)s1 ZINC000578011838 530635567 /nfs/dbraw/zinc/63/55/67/530635567.db2.gz BBOIWGBFWOIHMG-UHFFFAOYSA-N 0 3 397.588 0.896 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000331829532 530636776 /nfs/dbraw/zinc/63/67/76/530636776.db2.gz DGNDQTKRURUJJG-FQOARCPFSA-N 0 3 379.422 0.901 20 0 GCADHN Cn1cc(Br)c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000331828753 530636876 /nfs/dbraw/zinc/63/68/76/530636876.db2.gz JOONVFDDBKZZPK-UHFFFAOYSA-N 0 3 384.278 0.563 20 0 GCADHN CSC1(CNC(=O)C[N-]S(=O)(=O)c2cccs2)CC[NH+](C)CC1 ZINC000460985309 530640798 /nfs/dbraw/zinc/64/07/98/530640798.db2.gz XLEHVAMIFYXDAL-UHFFFAOYSA-N 0 3 377.557 0.970 20 0 GCADHN O=S1(=O)C[C@H](NC2CCN(CC(F)(F)F)CC2)[C@@H](N2CCOCC2)C1 ZINC000329707357 530619511 /nfs/dbraw/zinc/61/95/11/530619511.db2.gz LOCNLPPMJMEVBN-KBPBESRZSA-N 0 3 385.452 0.101 20 0 GCADHN Cn1cc(I)c(CNC(=O)[C@H]2CN3CCN2CCC3)n1 ZINC000456507005 530619879 /nfs/dbraw/zinc/61/98/79/530619879.db2.gz NQPPLIVBKPCQNT-GFCCVEGCSA-N 0 3 389.241 0.031 20 0 GCADHN O=S(=O)(CCCCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1)[N-]c1c[nH]cn1 ZINC000577530082 530621768 /nfs/dbraw/zinc/62/17/68/530621768.db2.gz AJRXJKJFJXYSPD-ZDUSSCGKSA-N 0 3 391.519 0.041 20 0 GCADHN O=S(=O)(CCCCS(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1)[N-]c1c[nH]cn1 ZINC000577530082 530621769 /nfs/dbraw/zinc/62/17/69/530621769.db2.gz AJRXJKJFJXYSPD-ZDUSSCGKSA-N 0 3 391.519 0.041 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cnc2C)C[C@H]1N1CCCC1 ZINC000577624602 530622339 /nfs/dbraw/zinc/62/23/39/530622339.db2.gz OWQYUGIZAHYEBZ-HUUCEWRRSA-N 0 3 384.527 0.689 20 0 GCADHN CC[C@H](C)[C@@H](NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000468755494 530682092 /nfs/dbraw/zinc/68/20/92/530682092.db2.gz AEGWTJBGUZNUBI-SWLSCSKDSA-N 0 3 377.507 0.046 20 0 GCADHN CN(C)[C@H]1CCCN(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)C1 ZINC000461547067 530644355 /nfs/dbraw/zinc/64/43/55/530644355.db2.gz RZUIBKXXQDBXKO-CABCVRRESA-N 0 3 375.539 0.383 20 0 GCADHN N[C@@H](CC(F)F)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000498191681 530645535 /nfs/dbraw/zinc/64/55/35/530645535.db2.gz JSPGAJKVIBLNSK-ZDUSSCGKSA-N 0 3 377.413 0.306 20 0 GCADHN CS[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@H]1N1CCCC1 ZINC000332405356 530645842 /nfs/dbraw/zinc/64/58/42/530645842.db2.gz LRTKURBWBDPLBW-KGLIPLIRSA-N 0 3 399.604 0.109 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c(OC)c1 ZINC000461893195 530646059 /nfs/dbraw/zinc/64/60/59/530646059.db2.gz DTINEFPWXOHAOS-CYBMUJFWSA-N 0 3 391.515 0.815 20 0 GCADHN CCN(C)CCNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000066987523 530648249 /nfs/dbraw/zinc/64/82/49/530648249.db2.gz TYYCTRPDOZNHEM-UHFFFAOYSA-N 0 3 390.531 0.520 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000332593123 530649182 /nfs/dbraw/zinc/64/91/82/530649182.db2.gz HDGDHAOWCADMDQ-GASCZTMLSA-N 0 3 375.535 0.664 20 0 GCADHN CSC1(CNC(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CCN(C)CC1 ZINC000462512462 530651989 /nfs/dbraw/zinc/65/19/89/530651989.db2.gz QGTRACUQMGOCDH-KBPBESRZSA-N 0 3 392.591 0.973 20 0 GCADHN CC(C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000333015641 530654225 /nfs/dbraw/zinc/65/42/25/530654225.db2.gz CAIJVECNIDIDCG-KBPBESRZSA-N 0 3 376.519 0.272 20 0 GCADHN O=C1NC(=O)[C@@]2(CCCN(C[C@@H](O)COc3ccc(Br)cc3)C2)N1 ZINC000333197638 530656257 /nfs/dbraw/zinc/65/62/57/530656257.db2.gz XVPYHXMSUKFGAX-WBMJQRKESA-N 0 3 398.257 0.863 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1F ZINC000333723207 530661765 /nfs/dbraw/zinc/66/17/65/530661765.db2.gz UZLXJCXVWUAPTD-YGRLFVJLSA-N 0 3 377.463 0.570 20 0 GCADHN N[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC[C@H]1F ZINC000658408317 530683276 /nfs/dbraw/zinc/68/32/76/530683276.db2.gz PLABDNPQBYGGSW-ZIAGYGMSSA-N 0 3 377.463 0.187 20 0 GCADHN CCC(CC)[C@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)N(C)C ZINC000526340407 530668190 /nfs/dbraw/zinc/66/81/90/530668190.db2.gz OFMDAZICLDTWTO-HNNXBMFYSA-N 0 3 377.532 0.979 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000670997397 530671443 /nfs/dbraw/zinc/67/14/43/530671443.db2.gz DHYXSSSLSBMDMP-LBPRGKRZSA-N 0 3 387.527 0.758 20 0 GCADHN CCOC(=O)[C@@H]1CSCCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000532873885 530674278 /nfs/dbraw/zinc/67/42/78/530674278.db2.gz WTOSXVBKTVEOLY-AAEUAGOBSA-N 0 3 379.500 0.476 20 0 GCADHN CC1([NH3+])CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000669579959 530675027 /nfs/dbraw/zinc/67/50/27/530675027.db2.gz RCMJWOYZERVQTM-UHFFFAOYSA-N 0 3 376.429 0.766 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]2CNCCC2(F)F)cc1 ZINC000648093933 530679094 /nfs/dbraw/zinc/67/90/94/530679094.db2.gz HTIJIDJDJZDUND-AWEZNQCLSA-N 0 3 375.441 0.977 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2CNCCC2(F)F)cc1 ZINC000648093934 530679461 /nfs/dbraw/zinc/67/94/61/530679461.db2.gz HTIJIDJDJZDUND-CQSZACIVSA-N 0 3 375.441 0.977 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)NCC2CCN(CCO)CC2)s1 ZINC000468325720 530679742 /nfs/dbraw/zinc/67/97/42/530679742.db2.gz DKURUIWUNGLISW-UHFFFAOYSA-N 0 3 375.516 0.655 20 0 GCADHN O=C(Nc1ccnn1Cc1ccc(Br)cc1)C(=O)NC1CNC1 ZINC000563943831 530686184 /nfs/dbraw/zinc/68/61/84/530686184.db2.gz FUBLOJQSDRMCHK-UHFFFAOYSA-N 0 3 378.230 0.720 20 0 GCADHN O=S(=O)(NCc1cn(Cc2cc(F)ccc2Cl)nn1)N1CCNCC1 ZINC000640947378 530687556 /nfs/dbraw/zinc/68/75/56/530687556.db2.gz HADPOLVNUQGGCO-UHFFFAOYSA-N 0 3 388.856 0.359 20 0 GCADHN CC1CC(NS(=O)(=O)CCCS(=O)(=O)Nc2ccnc(N(C)C)c2)C1 ZINC000349551089 530687835 /nfs/dbraw/zinc/68/78/35/530687835.db2.gz JXNKSTXVMYJLRD-UHFFFAOYSA-N 0 3 390.531 0.997 20 0 GCADHN CC1CC(NS(=O)(=O)CCCS(=O)(=O)[N-]c2cc[nH+]c(N(C)C)c2)C1 ZINC000349551089 530687837 /nfs/dbraw/zinc/68/78/37/530687837.db2.gz JXNKSTXVMYJLRD-UHFFFAOYSA-N 0 3 390.531 0.997 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H](C)CC[NH+](C)C)s1 ZINC000469495470 530689399 /nfs/dbraw/zinc/68/93/99/530689399.db2.gz HDKIBSXWEJMNAC-LLVKDONJSA-N 0 3 390.531 0.119 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000470984967 530698695 /nfs/dbraw/zinc/69/86/95/530698695.db2.gz KPKNFEKKDQTFHC-AWEZNQCLSA-N 0 3 376.251 0.591 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCC2CCN(CCO)CC2)ncc1Br ZINC000193311286 530699029 /nfs/dbraw/zinc/69/90/29/530699029.db2.gz TYOVZBOPDYMISX-UHFFFAOYSA-N 0 3 399.289 0.912 20 0 GCADHN CN(C)CCOCCNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000471641835 530700824 /nfs/dbraw/zinc/70/08/24/530700824.db2.gz HGWXBEBZGJYHEC-MRXNPFEDSA-N 0 3 375.535 0.665 20 0 GCADHN CN1CCC[C@H](N2CCN(C(=O)Cn3cc(Br)ccc3=O)CC2)C1 ZINC000360963759 530701306 /nfs/dbraw/zinc/70/13/06/530701306.db2.gz ZRQKUPIONMVSFX-HNNXBMFYSA-N 0 3 397.317 0.849 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)NCC2(O)CCN(C)CC2)s1 ZINC000472307811 530704313 /nfs/dbraw/zinc/70/43/13/530704313.db2.gz ASMPMMIDGNYHCY-UHFFFAOYSA-N 0 3 375.516 0.798 20 0 GCADHN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000472417500 530705155 /nfs/dbraw/zinc/70/51/55/530705155.db2.gz WITLDXZJPUJMBR-JKSUJKDBSA-N 0 3 375.535 0.400 20 0 GCADHN O=C(CN1CCNCC1)NCc1cn(Cc2cscc2Br)nn1 ZINC000641128201 530707311 /nfs/dbraw/zinc/70/73/11/530707311.db2.gz KZLZSEVBXSZLTB-UHFFFAOYSA-N 0 3 399.318 0.672 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472731805 530707758 /nfs/dbraw/zinc/70/77/58/530707758.db2.gz FCBPDRWWYLUHAO-NSHDSACASA-N 0 3 376.504 0.234 20 0 GCADHN O=S(=O)(NCc1cn(CC2CCC(F)(F)CC2)nn1)N1CCNCC1 ZINC000641138201 530708063 /nfs/dbraw/zinc/70/80/63/530708063.db2.gz HESMNVNZZZTMIK-UHFFFAOYSA-N 0 3 378.449 0.343 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000473261693 530710848 /nfs/dbraw/zinc/71/08/48/530710848.db2.gz GOHYIBDVWPYHHK-INIZCTEOSA-N 0 3 386.290 0.998 20 0 GCADHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)NC2CCC2)ccn1 ZINC000349597084 530711977 /nfs/dbraw/zinc/71/19/77/530711977.db2.gz BFZMAZHUEIYLRJ-UHFFFAOYSA-N 0 3 376.504 0.751 20 0 GCADHN CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCC2)cc[nH+]1 ZINC000349597084 530711978 /nfs/dbraw/zinc/71/19/78/530711978.db2.gz BFZMAZHUEIYLRJ-UHFFFAOYSA-N 0 3 376.504 0.751 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000363315886 530712365 /nfs/dbraw/zinc/71/23/65/530712365.db2.gz ARVFWZXAXZTXIN-HUUCEWRRSA-N 0 3 375.535 0.616 20 0 GCADHN CCN(CCCN1CCCC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000473944761 530714179 /nfs/dbraw/zinc/71/41/79/530714179.db2.gz LSGIOFJNJYOQKB-UHFFFAOYSA-N 0 3 375.516 0.831 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000367797146 530716454 /nfs/dbraw/zinc/71/64/54/530716454.db2.gz JDPZCMUVTRFKOE-MFKMUULPSA-N 0 3 377.463 0.570 20 0 GCADHN [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000578772661 530735460 /nfs/dbraw/zinc/73/54/60/530735460.db2.gz ZJLKDBFCTZMEOD-CJNGLKHVSA-N 0 3 387.527 0.771 20 0 GCADHN CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC(N3CCCC3)CC2)CC1 ZINC000477135315 530740570 /nfs/dbraw/zinc/74/05/70/530740570.db2.gz AMHOOXZGTHZRBA-UHFFFAOYSA-N 0 3 393.575 0.548 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCSC3(CCOCC3)C2)CCSC1 ZINC000671071488 530741186 /nfs/dbraw/zinc/74/11/86/530741186.db2.gz BGBHAQGGOHSIRU-MRXNPFEDSA-N 0 3 387.571 0.665 20 0 GCADHN C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000477451954 530743621 /nfs/dbraw/zinc/74/36/21/530743621.db2.gz LKZYKKYOYZIVAV-CABCVRRESA-N 0 3 395.591 0.840 20 0 GCADHN CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000477550746 530744938 /nfs/dbraw/zinc/74/49/38/530744938.db2.gz FREXFVPMTAKCTA-GFCCVEGCSA-N 0 3 394.563 0.505 20 0 GCADHN C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000477451957 530743825 /nfs/dbraw/zinc/74/38/25/530743825.db2.gz LKZYKKYOYZIVAV-HUUCEWRRSA-N 0 3 395.591 0.840 20 0 GCADHN C[C@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)CCN1S(C)(=O)=O ZINC000477488891 530744064 /nfs/dbraw/zinc/74/40/64/530744064.db2.gz YHWNOQRPORWAHX-ZDUSSCGKSA-N 0 3 375.516 0.403 20 0 GCADHN COC[C@@H](CS(=O)(=O)NCC1(N2CCC(OC)CC2)CCCC1)OC ZINC000641322555 530726789 /nfs/dbraw/zinc/72/67/89/530726789.db2.gz VGSKFJCJOKZLDD-INIZCTEOSA-N 0 3 378.535 0.991 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000475795016 530727614 /nfs/dbraw/zinc/72/76/14/530727614.db2.gz HTHQITWMHREIHF-LBPRGKRZSA-N 0 3 384.424 0.817 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000368976726 530728314 /nfs/dbraw/zinc/72/83/14/530728314.db2.gz YKRPYJCKDDHXDU-STQMWFEESA-N 0 3 375.516 0.330 20 0 GCADHN CCS(=O)(=O)NCCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000369219239 530730604 /nfs/dbraw/zinc/73/06/04/530730604.db2.gz NBAVORSVKVOPFV-UHFFFAOYSA-N 0 3 392.591 0.977 20 0 GCADHN C[C@H](CS(C)(=O)=O)NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000369308413 530731344 /nfs/dbraw/zinc/73/13/44/530731344.db2.gz TVMGAHORMDHWDL-KFWWJZLASA-N 0 3 375.535 0.950 20 0 GCADHN CSC1(CNC(=O)N2CCCN(S(C)(=O)=O)CC2)CCN(C)CC1 ZINC000578706015 530734749 /nfs/dbraw/zinc/73/47/49/530734749.db2.gz XVEQEYSUSCBQTO-UHFFFAOYSA-N 0 3 378.564 0.491 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654432867 530749769 /nfs/dbraw/zinc/74/97/69/530749769.db2.gz KFLZBLRSABELAN-LSDHHAIUSA-N 0 3 390.575 0.681 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCC[NH2+]CC1 ZINC000418162842 530749799 /nfs/dbraw/zinc/74/97/99/530749799.db2.gz GCVBIYSYEZSSCI-UHFFFAOYSA-N 0 3 378.857 0.762 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654432865 530749805 /nfs/dbraw/zinc/74/98/05/530749805.db2.gz KFLZBLRSABELAN-GJZGRUSLSA-N 0 3 390.575 0.681 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)N[C@H]1CCC[NH2+]C1 ZINC000418150308 530749851 /nfs/dbraw/zinc/74/98/51/530749851.db2.gz CUXQHJJNSRQUDM-NSHDSACASA-N 0 3 378.857 0.809 20 0 GCADHN COCCN(C(=O)NCC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000478410423 530749900 /nfs/dbraw/zinc/74/99/00/530749900.db2.gz VKHBTXZQZSTSIH-OAHLLOKOSA-N 0 3 375.535 0.954 20 0 GCADHN COCCNCCNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418162932 530750229 /nfs/dbraw/zinc/75/02/29/530750229.db2.gz GVHXXDBUUANLHZ-ZDUSSCGKSA-N 0 3 390.531 0.294 20 0 GCADHN O=C(NC[C@@H](O)COc1ccccc1Br)[C@H]1CN2CCN1CCC2 ZINC000371297618 530751707 /nfs/dbraw/zinc/75/17/07/530751707.db2.gz MKRFDHNRLHWLJL-UKRRQHHQSA-N 0 3 398.301 0.695 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N[C@@H]1CC[NH2+]C1 ZINC000418170320 530752278 /nfs/dbraw/zinc/75/22/78/530752278.db2.gz RWJUTEXYVLGCNE-SECBINFHSA-N 0 3 381.285 0.933 20 0 GCADHN CN1CCC2(CCCN2C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000371405225 530752798 /nfs/dbraw/zinc/75/27/98/530752798.db2.gz ZITVROGFHOQVJY-UHFFFAOYSA-N 0 3 390.575 0.635 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC[C@@H](O)COCc1cccs1 ZINC000581126975 530753980 /nfs/dbraw/zinc/75/39/80/530753980.db2.gz IBHMMCNOBQDCEO-HUUCEWRRSA-N 0 3 391.559 0.876 20 0 GCADHN NC(=O)[C@H](c1ccc(Br)cc1F)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581142605 530754433 /nfs/dbraw/zinc/75/44/33/530754433.db2.gz PLQPECUWPLNKBT-XDTLVQLUSA-N 0 3 385.237 0.358 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)[C@H]2C1 ZINC000371561615 530755015 /nfs/dbraw/zinc/75/50/15/530755015.db2.gz JMUIRCWJRSCWRL-KGLIPLIRSA-N 0 3 376.548 0.101 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@@H](CN)C1 ZINC000581181303 530755476 /nfs/dbraw/zinc/75/54/76/530755476.db2.gz LATXTYANHFNBNM-CORIIIEPSA-N 0 3 395.301 0.523 20 0 GCADHN C[C@H]1NCCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)[C@H]1C ZINC000581430346 530757911 /nfs/dbraw/zinc/75/79/11/530757911.db2.gz ZQSYEPYWYJKTAI-MNOVXSKESA-N 0 3 390.303 0.936 20 0 GCADHN CN(C)c1c(CNCCN2CCN(S(C)(=O)=O)CC2)ccc(F)c1F ZINC000623402244 530758955 /nfs/dbraw/zinc/75/89/55/530758955.db2.gz CTHXKFSRSPGVMD-UHFFFAOYSA-N 0 3 376.473 0.698 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000641599679 530760484 /nfs/dbraw/zinc/76/04/84/530760484.db2.gz YOMDFWZCAADSSY-PMPSAXMXSA-N 0 3 375.535 0.520 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000641599326 530760588 /nfs/dbraw/zinc/76/05/88/530760588.db2.gz TVOXODMOVSZSLP-XHSDSOJGSA-N 0 3 375.535 0.662 20 0 GCADHN CC(C)C[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000641599326 530760590 /nfs/dbraw/zinc/76/05/90/530760590.db2.gz TVOXODMOVSZSLP-XHSDSOJGSA-N 0 3 375.535 0.662 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)C(C)S(=O)(=O)C2CCOCC2)C1 ZINC000479885382 530760600 /nfs/dbraw/zinc/76/06/00/530760600.db2.gz JXPHXVYDEDWXGR-GJZGRUSLSA-N 0 3 376.519 0.442 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCN1CCSCC1 ZINC000477574390 530745311 /nfs/dbraw/zinc/74/53/11/530745311.db2.gz KCBDBDBSEZYPPT-UHFFFAOYSA-N 0 3 375.564 0.389 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000477583832 530745362 /nfs/dbraw/zinc/74/53/62/530745362.db2.gz ZRBAQFMELGPJII-UHFFFAOYSA-N 0 3 392.547 0.165 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@]1(N(C)C)CCSC1 ZINC000477588594 530745445 /nfs/dbraw/zinc/74/54/45/530745445.db2.gz IAYUTLYPKHGMPN-MRXNPFEDSA-N 0 3 389.591 0.777 20 0 GCADHN O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000370728443 530746569 /nfs/dbraw/zinc/74/65/69/530746569.db2.gz ATBPWXVBIZVDQV-QWRGUYRKSA-N 0 3 383.367 0.957 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)C(F)(F)F ZINC000370692572 530746650 /nfs/dbraw/zinc/74/66/50/530746650.db2.gz YQVSMNHSPLKGRL-RYUDHWBXSA-N 0 3 384.424 0.464 20 0 GCADHN NC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000370731057 530746809 /nfs/dbraw/zinc/74/68/09/530746809.db2.gz SQVRUBUPEAKODB-UWVGGRQHSA-N 0 3 380.239 0.526 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)c3cnn4cc(Br)cnc34)C[C@@H]2C1 ZINC000641461937 530748451 /nfs/dbraw/zinc/74/84/51/530748451.db2.gz FDNBIQJCFDIYOD-AOOOYVTPSA-N 0 3 386.275 0.674 20 0 GCADHN CCS(=O)(=O)NCC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000371162880 530748612 /nfs/dbraw/zinc/74/86/12/530748612.db2.gz CIHLWZTYTDZTDL-GJZGRUSLSA-N 0 3 375.535 0.664 20 0 GCADHN [NH3+]C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000418159900 530749116 /nfs/dbraw/zinc/74/91/16/530749116.db2.gz RPCYIPUDYFLUIC-LBPRGKRZSA-N 0 3 378.857 0.794 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc1Cl ZINC000581953191 530769075 /nfs/dbraw/zinc/76/90/75/530769075.db2.gz HRPAXXVNKQTGEV-GFCCVEGCSA-N 0 3 375.878 0.564 20 0 GCADHN NS(=O)(=O)c1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)ccc1Cl ZINC000373944902 530787413 /nfs/dbraw/zinc/78/74/13/530787413.db2.gz FPRGXSMHQQMPOI-ZDUSSCGKSA-N 0 3 387.889 0.971 20 0 GCADHN CCOCCCNC(=O)C(C)S(=O)(=O)Cc1csc(NC(C)=O)n1 ZINC000642533761 530772596 /nfs/dbraw/zinc/77/25/96/530772596.db2.gz UZVLGMGBJKIEAR-JTQLQIEISA-N 0 3 377.488 0.948 20 0 GCADHN CC(C(=O)NCCS(=O)(=O)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000481119031 530775877 /nfs/dbraw/zinc/77/58/77/530775877.db2.gz NLQNHLZFGMMYAI-CYBMUJFWSA-N 0 3 389.495 0.559 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1F ZINC000373060194 530776080 /nfs/dbraw/zinc/77/60/80/530776080.db2.gz WJFMEJDLBGXGCW-XHDPSFHLSA-N 0 3 391.490 0.960 20 0 GCADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000373132095 530777540 /nfs/dbraw/zinc/77/75/40/530777540.db2.gz INFMPFAEOHIRIF-GJZGRUSLSA-N 0 3 376.523 0.211 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000582377572 530777986 /nfs/dbraw/zinc/77/79/86/530777986.db2.gz NSHYKOPJSXLECV-NVXWUHKLSA-N 0 3 375.535 0.952 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)cc1C ZINC000045801570 530780131 /nfs/dbraw/zinc/78/01/31/530780131.db2.gz POXWOTIHQQMEAO-CQSZACIVSA-N 0 3 388.511 0.569 20 0 GCADHN C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N(C)C1CC1 ZINC000057706198 530783292 /nfs/dbraw/zinc/78/32/92/530783292.db2.gz HPGGZLWLCFAWAN-GFCCVEGCSA-N 0 3 386.543 0.965 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(S(=O)(=O)c3c(Cl)cnn3C)C2)CC1 ZINC000373781419 530785611 /nfs/dbraw/zinc/78/56/11/530785611.db2.gz HUBDBXANYMQLNJ-CYBMUJFWSA-N 0 3 375.926 0.863 20 0 GCADHN COCCN(C)CCCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000063744378 530786767 /nfs/dbraw/zinc/78/67/67/530786767.db2.gz LHSVLYQATKPNMG-UHFFFAOYSA-N 0 3 375.466 0.579 20 0 GCADHN CN(C)CCn1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)n1 ZINC000654653822 530765065 /nfs/dbraw/zinc/76/50/65/530765065.db2.gz MEGWIZDXGOOLDC-CQSZACIVSA-N 0 3 383.543 0.535 20 0 GCADHN CC(C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000480453625 530765883 /nfs/dbraw/zinc/76/58/83/530765883.db2.gz MCTYCQRXLGGZGJ-KFWWJZLASA-N 0 3 376.519 0.584 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000480637182 530767422 /nfs/dbraw/zinc/76/74/22/530767422.db2.gz BBMYZSMSYSNXQX-OCCSQVGLSA-N 0 3 392.547 0.258 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000480633814 530767855 /nfs/dbraw/zinc/76/78/55/530767855.db2.gz GXUZSMWHXKTCGC-YSALQEOHSA-N 0 3 376.548 0.592 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000121123893 530768452 /nfs/dbraw/zinc/76/84/52/530768452.db2.gz JCJNCAZPBIRSCG-LLVKDONJSA-N 0 3 385.262 0.386 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1Cl ZINC000654927849 530797473 /nfs/dbraw/zinc/79/74/73/530797473.db2.gz FEZVSWYPCXFMGT-GFCCVEGCSA-N 0 3 375.878 0.564 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)CC2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC000655030317 530798808 /nfs/dbraw/zinc/79/88/08/530798808.db2.gz NLNPHKSUKYDXDI-OAHLLOKOSA-N 0 3 375.535 0.665 20 0 GCADHN COCCN(C)CCCNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000616098339 530800609 /nfs/dbraw/zinc/80/06/09/530800609.db2.gz QWYAEZPOYOKXCM-OAHLLOKOSA-N 0 3 378.539 0.458 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000064598180 530788302 /nfs/dbraw/zinc/78/83/02/530788302.db2.gz LMZNYSGMAFEJIP-CQSZACIVSA-N 0 3 387.527 0.844 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CN1CCCS1(=O)=O ZINC000065938459 530789343 /nfs/dbraw/zinc/78/93/43/530789343.db2.gz WGXRPGFVNHQRKQ-UHFFFAOYSA-N 0 3 375.441 0.891 20 0 GCADHN CN(C)[C@]1(CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CCSC1 ZINC000498579385 530827673 /nfs/dbraw/zinc/82/76/73/530827673.db2.gz GJYBHPSVPUWAOZ-NFAWXSAZSA-N 0 3 378.564 0.583 20 0 GCADHN COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000490750418 530830737 /nfs/dbraw/zinc/83/07/37/530830737.db2.gz IMUDMJAQVQRFIF-LLVKDONJSA-N 0 3 388.262 0.743 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCC(N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000491061801 530831108 /nfs/dbraw/zinc/83/11/08/530831108.db2.gz SHIGBLYTEOIOGS-AWEZNQCLSA-N 0 3 388.511 0.625 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000621101570 530832082 /nfs/dbraw/zinc/83/20/82/530832082.db2.gz OAHVIORGJSWKNN-LBPRGKRZSA-N 0 3 399.289 0.950 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621101570 530832087 /nfs/dbraw/zinc/83/20/87/530832087.db2.gz OAHVIORGJSWKNN-LBPRGKRZSA-N 0 3 399.289 0.950 20 0 GCADHN CC(C)[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCN1 ZINC000621149015 530833195 /nfs/dbraw/zinc/83/31/95/530833195.db2.gz ADGLIOMUXGUDSU-CYBMUJFWSA-N 0 3 387.527 0.839 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)C(F)(F)F ZINC000486919921 530809382 /nfs/dbraw/zinc/80/93/82/530809382.db2.gz NHDHMQPECNJVDV-VXGBXAGGSA-N 0 3 388.456 0.792 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)C(F)(F)F ZINC000486919919 530809480 /nfs/dbraw/zinc/80/94/80/530809480.db2.gz NHDHMQPECNJVDV-NWDGAFQWSA-N 0 3 388.456 0.792 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000623671174 530810423 /nfs/dbraw/zinc/81/04/23/530810423.db2.gz WYMZSVSXJWGHOU-CHWSQXEVSA-N 0 3 395.934 0.937 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000487108880 530811243 /nfs/dbraw/zinc/81/12/43/530811243.db2.gz GMMNNUKSIKHMQN-XGUBFFRZSA-N 0 3 377.576 0.989 20 0 GCADHN CNS(=O)(=O)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000376283593 530811979 /nfs/dbraw/zinc/81/19/79/530811979.db2.gz NKURKKXWZGDMLP-OKILXGFUSA-N 0 3 376.523 0.066 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000619360410 530812641 /nfs/dbraw/zinc/81/26/41/530812641.db2.gz UTBKNXDOTBAQMI-CABCVRRESA-N 0 3 375.539 0.240 20 0 GCADHN COCCCN1CCC(NC(=O)N2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000488635885 530818235 /nfs/dbraw/zinc/81/82/35/530818235.db2.gz YSYLFZADSRQXQE-UHFFFAOYSA-N 0 3 375.535 0.954 20 0 GCADHN COCCN(CCN(C)C)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000377072011 530821460 /nfs/dbraw/zinc/82/14/60/530821460.db2.gz MJAOZELEBMEVHM-CQSZACIVSA-N 0 3 376.523 0.163 20 0 GCADHN CCOC(=O)N[C@@H](CNC(=O)C1(S(C)(=O)=O)CCNCC1)CC(C)C ZINC000377140026 530822668 /nfs/dbraw/zinc/82/26/68/530822668.db2.gz LSAQHFPQECEREX-CYBMUJFWSA-N 0 3 377.507 0.430 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccncc2)CC1 ZINC000061210572 530823633 /nfs/dbraw/zinc/82/36/33/530823633.db2.gz FUWDPYNQJRVRCY-HNNXBMFYSA-N 0 3 386.543 0.791 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)COC2CCOCC2)s1 ZINC000582601015 530846289 /nfs/dbraw/zinc/84/62/89/530846289.db2.gz GPCBDDFJDGFHCX-ZDUSSCGKSA-N 0 3 378.516 0.481 20 0 GCADHN CC[C@@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H](O)CC ZINC000582666197 530846520 /nfs/dbraw/zinc/84/65/20/530846520.db2.gz KXCACAZDIVPRNH-KGLIPLIRSA-N 0 3 392.543 0.850 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000582669560 530846568 /nfs/dbraw/zinc/84/65/68/530846568.db2.gz UKQDLJDXPCLAHE-AWEZNQCLSA-N 0 3 388.559 0.815 20 0 GCADHN CC[C@H](O)[C@H](CC)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000582666196 530846602 /nfs/dbraw/zinc/84/66/02/530846602.db2.gz KXCACAZDIVPRNH-KBPBESRZSA-N 0 3 392.543 0.850 20 0 GCADHN O=S(=O)(CCNC[C@@H](O)COc1ccccc1F)N1CCSCC1 ZINC000582660381 530846860 /nfs/dbraw/zinc/84/68/60/530846860.db2.gz BNUJVYNUOAUYGL-CYBMUJFWSA-N 0 3 378.491 0.534 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000582715739 530847311 /nfs/dbraw/zinc/84/73/11/530847311.db2.gz XOOBQMPFYWHCCU-ZDUSSCGKSA-N 0 3 381.274 0.940 20 0 GCADHN CN(C)[C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000068341398 530849869 /nfs/dbraw/zinc/84/98/69/530849869.db2.gz QLUFOSGKXBPFAX-ZDUSSCGKSA-N 0 3 387.527 0.935 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000496633038 530850450 /nfs/dbraw/zinc/85/04/50/530850450.db2.gz QYHQBKVGJWXYFB-RBSFLKMASA-N 0 3 376.523 0.257 20 0 GCADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cc2c(cc1Br)OCO2 ZINC000621623501 530852564 /nfs/dbraw/zinc/85/25/64/530852564.db2.gz DMFLHIORFZVSBA-UHFFFAOYSA-N 0 3 395.217 0.958 20 0 GCADHN CN1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)[C@H](CN)C1 ZINC000582903922 530856132 /nfs/dbraw/zinc/85/61/32/530856132.db2.gz RMVRGFRGOQDQGJ-CHWSQXEVSA-N 0 3 395.301 0.903 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ncccc1Br ZINC000656893624 530857437 /nfs/dbraw/zinc/85/74/37/530857437.db2.gz DUVQGQXECICKIT-UHFFFAOYSA-N 0 3 379.324 0.958 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N1CCC(OC)CC1 ZINC000656892110 530857663 /nfs/dbraw/zinc/85/76/63/530857663.db2.gz WZSUBROTRGOSGC-INIZCTEOSA-N 0 3 376.567 0.690 20 0 GCADHN CC(C)C[C@H](NC(=O)CCCS(C)(=O)=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000646420248 530863973 /nfs/dbraw/zinc/86/39/73/530863973.db2.gz AYHVDWCKNSMAGR-CABCVRRESA-N 0 3 375.535 0.505 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N(C)[C@H](C)C[S@](C)=O)CC1 ZINC000187839899 530864803 /nfs/dbraw/zinc/86/48/03/530864803.db2.gz FBNCSZAMJVUTTO-BGJPBQGDSA-N 0 3 376.548 0.878 20 0 GCADHN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516585584 530871443 /nfs/dbraw/zinc/87/14/43/530871443.db2.gz WFFBZMOOLMBNJQ-JQWIXIFHSA-N 0 3 387.845 0.059 20 0 GCADHN C[C@@H]1CNC[C@H](C)N1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000493442679 530838348 /nfs/dbraw/zinc/83/83/48/530838348.db2.gz OAEMUFGPULMGSH-ZNMIVQPWSA-N 0 3 385.555 0.946 20 0 GCADHN C[C@@H](CN)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000493984889 530840518 /nfs/dbraw/zinc/84/05/18/530840518.db2.gz JZSMZUUCGNOJPP-GWCFXTLKSA-N 0 3 375.878 0.337 20 0 GCADHN CNC(=O)c1cccc(NC(=O)NC[C@@]2(O)CCN(C)C2)c1Br ZINC000494552048 530845540 /nfs/dbraw/zinc/84/55/40/530845540.db2.gz HOQFMEFJSNJJIF-HNNXBMFYSA-N 0 3 385.262 0.997 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)CCN2C1=O ZINC000582557345 530845619 /nfs/dbraw/zinc/84/56/19/530845619.db2.gz MLNQSWWFWBWLDF-JQWIXIFHSA-N 0 3 396.241 0.604 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Br ZINC000583823645 530898927 /nfs/dbraw/zinc/89/89/27/530898927.db2.gz CWPYVZVKFJTKLP-MFKMUULPSA-N 0 3 388.287 0.690 20 0 GCADHN CN1CCN(CC2CN(C(=O)CNC(=O)c3ccc(Br)o3)C2)CC1 ZINC000646458338 530875859 /nfs/dbraw/zinc/87/58/59/530875859.db2.gz SMDLYOUSNDBQOV-UHFFFAOYSA-N 0 3 399.289 0.478 20 0 GCADHN CN(C)CCOCCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000502604650 530876035 /nfs/dbraw/zinc/87/60/35/530876035.db2.gz FVJGASBHQFWTCR-CQSZACIVSA-N 0 3 376.523 0.068 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000502836199 530877216 /nfs/dbraw/zinc/87/72/16/530877216.db2.gz PEFZVVPDMRETBG-ZYHUDNBSSA-N 0 3 388.877 0.430 20 0 GCADHN CCCN(CCN1CCCCC1)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000502898036 530878075 /nfs/dbraw/zinc/87/80/75/530878075.db2.gz DFYRMICZNFQCPL-UHFFFAOYSA-N 0 3 377.555 0.726 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000503236672 530879920 /nfs/dbraw/zinc/87/99/20/530879920.db2.gz YRUDNVJJSQQOPU-HUUCEWRRSA-N 0 3 394.607 0.047 20 0 GCADHN CS[C@@H]1CN(c2ncc(Br)cc2S(N)(=O)=O)C[C@@H]1N(C)C ZINC000503275522 530880438 /nfs/dbraw/zinc/88/04/38/530880438.db2.gz NLWBPFZOSYVMJL-VHSXEESVSA-N 0 3 395.348 0.973 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000657161706 530881848 /nfs/dbraw/zinc/88/18/48/530881848.db2.gz QDHHVEVEGGQAJG-AWEZNQCLSA-N 0 3 381.564 0.594 20 0 GCADHN CC(C)N(CCCNC(=O)CN[C@@H]1CCC[C@H]1OC(F)F)S(C)(=O)=O ZINC000503525162 530882057 /nfs/dbraw/zinc/88/20/57/530882057.db2.gz AIRUOAZCJDKVPI-CHWSQXEVSA-N 0 3 385.477 0.913 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621918462 530884396 /nfs/dbraw/zinc/88/43/96/530884396.db2.gz FEFLAMUWKYBJKJ-ZDUSSCGKSA-N 0 3 397.273 0.928 20 0 GCADHN Cc1c(Br)cncc1CNCCN1CCN(S(C)(=O)=O)CC1 ZINC000657346553 530888451 /nfs/dbraw/zinc/88/84/51/530888451.db2.gz GIKJTZUBLDKASX-UHFFFAOYSA-N 0 3 391.335 0.819 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)c(Br)c1 ZINC000504559489 530890652 /nfs/dbraw/zinc/89/06/52/530890652.db2.gz AJFJYPFZAGGBBS-OAHLLOKOSA-N 0 3 388.262 0.825 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000505159072 530892620 /nfs/dbraw/zinc/89/26/20/530892620.db2.gz DCWORWGYQDRKLX-ZWNOBZJWSA-N 0 3 394.540 0.790 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000505159069 530892877 /nfs/dbraw/zinc/89/28/77/530892877.db2.gz DCWORWGYQDRKLX-GWCFXTLKSA-N 0 3 394.540 0.790 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000505503590 530893942 /nfs/dbraw/zinc/89/39/42/530893942.db2.gz SDCDNOGIUCWHQZ-HOCLYGCPSA-N 0 3 377.576 0.992 20 0 GCADHN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510792258 530930389 /nfs/dbraw/zinc/93/03/89/530930389.db2.gz RBAAAYPPQMTZIB-MCIONIFRSA-N 0 3 377.507 0.140 20 0 GCADHN O=C(NC[C@H](CO)Cc1cccc(Br)c1)NC[C@@H]1CNCCO1 ZINC000418759527 530934208 /nfs/dbraw/zinc/93/42/08/530934208.db2.gz GGSXWOUMQDDJQH-HIFRSBDPSA-N 0 3 386.290 0.888 20 0 GCADHN O=C(NC[C@H](CO)Cc1cccc(Br)c1)NC[C@H]1CNCCO1 ZINC000418759528 530934231 /nfs/dbraw/zinc/93/42/31/530934231.db2.gz GGSXWOUMQDDJQH-UKRRQHHQSA-N 0 3 386.290 0.888 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCN1CCC(OC)CC1 ZINC000610571679 530915779 /nfs/dbraw/zinc/91/57/79/530915779.db2.gz UYIRTHALWJAEQE-CQSZACIVSA-N 0 3 381.564 0.274 20 0 GCADHN CC(=O)NCCN(Cc1ccc(Br)s1)c1nc(N)nc(N)n1 ZINC000624187638 530922049 /nfs/dbraw/zinc/92/20/49/530922049.db2.gz CKIUJQAENABLQN-UHFFFAOYSA-N 0 3 386.279 0.663 20 0 GCADHN COc1ccc(Br)cc1C[C@H](CO)CNc1nc(N)nc(N)n1 ZINC000624261217 530923620 /nfs/dbraw/zinc/92/36/20/530923620.db2.gz LKUWKZJJELZZQB-QMMMGPOBSA-N 0 3 383.250 0.153 20 0 GCADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000419256116 530957810 /nfs/dbraw/zinc/95/78/10/530957810.db2.gz WZNWQBXBQPYRTF-LLVKDONJSA-N 0 3 388.287 0.492 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000419434343 530958125 /nfs/dbraw/zinc/95/81/25/530958125.db2.gz IZOAVBRSDGIJQI-SNVBAGLBSA-N 0 3 385.262 0.101 20 0 GCADHN CCN(C)C[C@@H](O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000520837633 530958207 /nfs/dbraw/zinc/95/82/07/530958207.db2.gz CICFRXZGMGJHEF-CYBMUJFWSA-N 0 3 375.516 0.507 20 0 GCADHN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)C(=O)N1CCNCC1 ZINC000419551913 530959816 /nfs/dbraw/zinc/95/98/16/530959816.db2.gz YBRRHKUVNHZQAF-UHFFFAOYSA-N 0 3 393.245 0.282 20 0 GCADHN O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)NC[C@H]1CNCCO1 ZINC000419572797 530959888 /nfs/dbraw/zinc/95/98/88/530959888.db2.gz QZZQOFRAXVDTQM-SNVBAGLBSA-N 0 3 376.244 0.021 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(CCN)CCO)Oc1ccccc1Br ZINC000419605615 530960205 /nfs/dbraw/zinc/96/02/05/530960205.db2.gz DSTSYWOLGZHPRK-LLVKDONJSA-N 0 3 388.262 0.112 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419594637 530960289 /nfs/dbraw/zinc/96/02/89/530960289.db2.gz ZUOMPRALCTUKDF-AWEZNQCLSA-N 0 3 384.274 0.905 20 0 GCADHN O=S(=O)(CCCN1CCCC1)NCCNS(=O)(=O)c1cccs1 ZINC000632129667 530960525 /nfs/dbraw/zinc/96/05/25/530960525.db2.gz ZVEBUCHJYZUWRE-UHFFFAOYSA-N 0 3 381.545 0.432 20 0 GCADHN COc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000419657471 530961347 /nfs/dbraw/zinc/96/13/47/530961347.db2.gz VXLKREADFHIOND-MRVPVSSYSA-N 0 3 392.225 0.574 20 0 GCADHN COCCNCCNC(=O)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000420170942 530965837 /nfs/dbraw/zinc/96/58/37/530965837.db2.gz RMAUTMGTXMLTIM-UHFFFAOYSA-N 0 3 390.253 0.899 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000521163448 530964045 /nfs/dbraw/zinc/96/40/45/530964045.db2.gz PYQVOSVHKPJEGC-AWEZNQCLSA-N 0 3 378.564 0.539 20 0 GCADHN COCCNCCNC(=O)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000420181474 530965887 /nfs/dbraw/zinc/96/58/87/530965887.db2.gz IMCVGLPWTUSMJB-UHFFFAOYSA-N 0 3 379.301 0.682 20 0 GCADHN COCCN(Cc1ccc(Br)s1)C(=O)C(=O)N[C@H](C)CN ZINC000420013265 530964446 /nfs/dbraw/zinc/96/44/46/530964446.db2.gz KWQKJKVMEJWSSP-SECBINFHSA-N 0 3 378.292 0.949 20 0 GCADHN CC(C)(C)S(=O)(=O)N1CCC(NS(=O)(=O)CCCN2CCCC2)CC1 ZINC000632274873 530964469 /nfs/dbraw/zinc/96/44/69/530964469.db2.gz KLRUBHUZYGFNDQ-UHFFFAOYSA-N 0 3 395.591 0.984 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000420004262 530964498 /nfs/dbraw/zinc/96/44/98/530964498.db2.gz AJRPBBIULSPBJS-JTQLQIEISA-N 0 3 387.267 0.741 20 0 GCADHN CC(C)[C@H](N)CNC(=O)C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000419971353 530964508 /nfs/dbraw/zinc/96/45/08/530964508.db2.gz GEDJKLOWFDBLNB-OLZOCXBDSA-N 0 3 387.889 0.726 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418802574 530935846 /nfs/dbraw/zinc/93/58/46/530935846.db2.gz DGIYXOWWIKRVHF-NXEZZACHSA-N 0 3 390.303 0.835 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000418811661 530936185 /nfs/dbraw/zinc/93/61/85/530936185.db2.gz HZEAMFRQLCGVSV-BDAKNGLRSA-N 0 3 386.246 0.861 20 0 GCADHN NCCNC(=O)C(=O)NCCSCCOc1cccc(Br)c1 ZINC000418807770 530936340 /nfs/dbraw/zinc/93/63/40/530936340.db2.gz QFTREROSOPKYES-UHFFFAOYSA-N 0 3 390.303 0.752 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)s1 ZINC000418815400 530936856 /nfs/dbraw/zinc/93/68/56/530936856.db2.gz XASDNIYCVYJSCE-WCQYABFASA-N 0 3 387.527 0.744 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)s1 ZINC000418815399 530936927 /nfs/dbraw/zinc/93/69/27/530936927.db2.gz XASDNIYCVYJSCE-DGCLKSJQSA-N 0 3 387.527 0.744 20 0 GCADHN Cn1cc(Br)cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1=O ZINC000124541145 530936992 /nfs/dbraw/zinc/93/69/92/530936992.db2.gz QBLIJCBHGLUBCC-LBPRGKRZSA-N 0 3 397.273 0.783 20 0 GCADHN CC1CCN(C[C@H](O)CNC(=O)NCCC2CCS(=O)(=O)CC2)CC1 ZINC000511567687 530938256 /nfs/dbraw/zinc/93/82/56/530938256.db2.gz QLIMQCQYXQYKEV-MRXNPFEDSA-N 0 3 375.535 0.593 20 0 GCADHN C[C@H](CCc1ccc(I)cc1)NC(=O)C(=O)NCCN ZINC000418826365 530938273 /nfs/dbraw/zinc/93/82/73/530938273.db2.gz KVXGRLCLMKXXRW-SNVBAGLBSA-N 0 3 389.237 0.803 20 0 GCADHN CCCS(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1 ZINC000425183954 530941255 /nfs/dbraw/zinc/94/12/55/530941255.db2.gz HWVUFZJUSREUCT-HNNXBMFYSA-N 0 3 389.543 0.746 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000512489289 530943118 /nfs/dbraw/zinc/94/31/18/530943118.db2.gz FLDTYUCEPKVZHV-GJZGRUSLSA-N 0 3 376.523 0.020 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000418851465 530943679 /nfs/dbraw/zinc/94/36/79/530943679.db2.gz SDCZMPBAPDOROS-JTQLQIEISA-N 0 3 385.262 0.101 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000359956892 530944836 /nfs/dbraw/zinc/94/48/36/530944836.db2.gz LXCIQRLEVVKBNS-MNOVXSKESA-N 0 3 386.246 0.751 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000359956890 530945007 /nfs/dbraw/zinc/94/50/07/530945007.db2.gz LXCIQRLEVVKBNS-GHMZBOCLSA-N 0 3 386.246 0.751 20 0 GCADHN CN(C)CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000631762340 530946902 /nfs/dbraw/zinc/94/69/02/530946902.db2.gz BMKHNHWHPJCAKH-UHFFFAOYSA-N 0 3 389.543 0.842 20 0 GCADHN CCN(CC)CCN(CC(C)C)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000631739710 530947332 /nfs/dbraw/zinc/94/73/32/530947332.db2.gz ATRLYMYOIKYVQZ-MRXNPFEDSA-N 0 3 397.607 0.898 20 0 GCADHN O=S(=O)(CCCN1CCCC1)NCCS(=O)(=O)NCc1ccccc1 ZINC000631758679 530947356 /nfs/dbraw/zinc/94/73/56/530947356.db2.gz HESNHKVGKPCIMY-UHFFFAOYSA-N 0 3 389.543 0.511 20 0 GCADHN CC(C)CS(=O)(=O)CCC(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000513475747 530948787 /nfs/dbraw/zinc/94/87/87/530948787.db2.gz LTNAISBSDZLGCS-UHFFFAOYSA-N 0 3 375.535 0.364 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C1CC1 ZINC000418890592 530949080 /nfs/dbraw/zinc/94/90/80/530949080.db2.gz WHAIIASSIBKOMS-VXGBXAGGSA-N 0 3 386.221 0.991 20 0 GCADHN CS(=O)(=O)c1ccc(OCCNS(=O)(=O)CCCN2CCCC2)cc1 ZINC000631908794 530950254 /nfs/dbraw/zinc/95/02/54/530950254.db2.gz AJIZWQJNTHNVFA-UHFFFAOYSA-N 0 3 390.527 0.874 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000418919818 530951305 /nfs/dbraw/zinc/95/13/05/530951305.db2.gz AVCGQJYLENMQSO-ZDUSSCGKSA-N 0 3 397.273 0.747 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418925257 530951581 /nfs/dbraw/zinc/95/15/81/530951581.db2.gz RESWVXJQOREHPC-UHFFFAOYSA-N 0 3 376.226 0.027 20 0 GCADHN [NH3+]CCN(Cc1ccccc1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000184169758 530965401 /nfs/dbraw/zinc/96/54/01/530965401.db2.gz OZEHLBYKRXYYIE-UHFFFAOYSA-N 0 3 381.230 0.287 20 0 GCADHN Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CCC[C@@H]3CN)nc12 ZINC000419043267 530953216 /nfs/dbraw/zinc/95/32/16/530953216.db2.gz NHOZMDKEXCLVTQ-CYBMUJFWSA-N 0 3 394.273 0.971 20 0 GCADHN COc1ccc([C@@H](C)NC(=O)C(=O)N(CCN)CCO)cc1Br ZINC000419010307 530953277 /nfs/dbraw/zinc/95/32/77/530953277.db2.gz PKRSTIOCBHDOQB-SNVBAGLBSA-N 0 3 388.262 0.415 20 0 GCADHN Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N[C@@H](C)CN)nc12 ZINC000419046316 530953636 /nfs/dbraw/zinc/95/36/36/530953636.db2.gz VKHVAUDRXHLPDI-JTQLQIEISA-N 0 3 382.262 0.527 20 0 GCADHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3c[nH]nc3C(F)(F)F)CC2)C1 ZINC000631975603 530953955 /nfs/dbraw/zinc/95/39/55/530953955.db2.gz HQPUIDWLPBUJGZ-LLVKDONJSA-N 0 3 381.424 0.829 20 0 GCADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H](C)CN)C2=O)ccc1Br ZINC000419066538 530954933 /nfs/dbraw/zinc/95/49/33/530954933.db2.gz QSRIYTPSGPWECB-GXFFZTMASA-N 0 3 397.273 0.442 20 0 GCADHN O=C(NCc1ccc(Br)cc1Cl)C(=O)NC[C@@H]1CNCCO1 ZINC000419131818 530955310 /nfs/dbraw/zinc/95/53/10/530955310.db2.gz GXJKKGOVDBQLEI-NSHDSACASA-N 0 3 390.665 0.823 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419074905 530955446 /nfs/dbraw/zinc/95/54/46/530955446.db2.gz ZYDVAOFDECLQJX-ZWNOBZJWSA-N 0 3 397.273 0.476 20 0 GCADHN O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CNCCO1 ZINC000419162090 530955466 /nfs/dbraw/zinc/95/54/66/530955466.db2.gz FTRGNDWIEULRCR-ZDUSSCGKSA-N 0 3 390.267 0.731 20 0 GCADHN CCNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)CCCN(C)C)CC2 ZINC000632032141 530956017 /nfs/dbraw/zinc/95/60/17/530956017.db2.gz OQBUUSYZCTUFMO-UHFFFAOYSA-N 0 3 375.516 0.629 20 0 GCADHN CC(C)(CNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccccc1Br ZINC000419186606 530956627 /nfs/dbraw/zinc/95/66/27/530956627.db2.gz MGXDAYCIVYADGM-GFCCVEGCSA-N 0 3 398.301 0.948 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419186561 530956704 /nfs/dbraw/zinc/95/67/04/530956704.db2.gz MEHQYFDRUMHPJC-AAEUAGOBSA-N 0 3 383.290 0.950 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419186563 530956736 /nfs/dbraw/zinc/95/67/36/530956736.db2.gz MEHQYFDRUMHPJC-DGCLKSJQSA-N 0 3 383.290 0.950 20 0 GCADHN C[C@H](O)CN(C)C1CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC1 ZINC000516938662 530956954 /nfs/dbraw/zinc/95/69/54/530956954.db2.gz VIKDZUKIDRBWMD-ZDUSSCGKSA-N 0 3 384.564 0.307 20 0 GCADHN CCN(CCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C1CC1 ZINC000522053734 530972796 /nfs/dbraw/zinc/97/27/96/530972796.db2.gz HUHMXCBYAFSOMA-OAHLLOKOSA-N 0 3 376.523 0.258 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)NCCNC(=O)c1ccc(Br)cn1 ZINC000658092403 530974679 /nfs/dbraw/zinc/97/46/79/530974679.db2.gz NMJVUGCHXOMZAA-SNVBAGLBSA-N 0 3 378.292 0.987 20 0 GCADHN O=C(NCCN[C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cn1 ZINC000658091277 530974976 /nfs/dbraw/zinc/97/49/76/530974976.db2.gz DAQSDEVEXGQJIC-NSHDSACASA-N 0 3 376.276 0.741 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC1CC[NH+](CC2CC2)CC1 ZINC000194235410 530975356 /nfs/dbraw/zinc/97/53/56/530975356.db2.gz ZXYCETMMGHXLHC-UHFFFAOYSA-N 0 3 385.262 0.290 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCN1CCC(O)CC1 ZINC000522860835 530977946 /nfs/dbraw/zinc/97/79/46/530977946.db2.gz FANMRDIAVMSREQ-INIZCTEOSA-N 0 3 375.535 0.544 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc(Cl)s2)CC1=O ZINC000632725128 530979530 /nfs/dbraw/zinc/97/95/30/530979530.db2.gz CQZGLNSGSUSALN-NSHDSACASA-N 0 3 395.934 0.859 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(C)s2)CC1=O ZINC000632725408 530979620 /nfs/dbraw/zinc/97/96/20/530979620.db2.gz LDFMFSVETQNSQZ-CYBMUJFWSA-N 0 3 375.516 0.514 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(Cl)s2)CC1=O ZINC000632725127 530979726 /nfs/dbraw/zinc/97/97/26/530979726.db2.gz CQZGLNSGSUSALN-LLVKDONJSA-N 0 3 395.934 0.859 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc(C)s2)CC1=O ZINC000632725409 530979878 /nfs/dbraw/zinc/97/98/78/530979878.db2.gz LDFMFSVETQNSQZ-ZDUSSCGKSA-N 0 3 375.516 0.514 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2sc(C)nc2C)CC1=O ZINC000632726656 530980091 /nfs/dbraw/zinc/98/00/91/530980091.db2.gz NCDDWNHISZTLMZ-CYBMUJFWSA-N 0 3 390.531 0.217 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)CCc2cccs2)CC1=O ZINC000632726877 530980627 /nfs/dbraw/zinc/98/06/27/530980627.db2.gz PTECKBNUZBADKV-AWEZNQCLSA-N 0 3 389.543 0.389 20 0 GCADHN C[C@H](CNC(=O)NCc1c(Br)cnn1C)CN1CCN(C)CC1 ZINC000633077845 530982432 /nfs/dbraw/zinc/98/24/32/530982432.db2.gz FFJOPYQXLWAQMM-GFCCVEGCSA-N 0 3 387.326 0.865 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000523736595 530983110 /nfs/dbraw/zinc/98/31/10/530983110.db2.gz LXVGHDMHXAYIPU-CYBMUJFWSA-N 0 3 375.516 0.557 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)NCCCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000524217622 530984721 /nfs/dbraw/zinc/98/47/21/530984721.db2.gz AOLNSRXMLWKOBC-GJZGRUSLSA-N 0 3 375.535 0.952 20 0 GCADHN CCN1CCN(CCNC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000185645709 530966302 /nfs/dbraw/zinc/96/63/02/530966302.db2.gz HBJGBOKOQPEBEM-UHFFFAOYSA-N 0 3 397.317 0.933 20 0 GCADHN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420206293 530966558 /nfs/dbraw/zinc/96/65/58/530966558.db2.gz SMTQFVKWYLTRRL-ABAIWWIYSA-N 0 3 396.285 0.827 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000420209889 530966828 /nfs/dbraw/zinc/96/68/28/530966828.db2.gz VVDZLCCNKJFVHM-GFCCVEGCSA-N 0 3 386.905 0.150 20 0 GCADHN CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420203538 530966873 /nfs/dbraw/zinc/96/68/73/530966873.db2.gz QDOXYFBJNVGDCM-NSHDSACASA-N 0 3 388.237 0.651 20 0 GCADHN Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)CCCN(C)C ZINC000632334835 530966935 /nfs/dbraw/zinc/96/69/35/530966935.db2.gz PSSLWDZUMFTINA-UHFFFAOYSA-N 0 3 397.950 0.798 20 0 GCADHN CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420207799 530967001 /nfs/dbraw/zinc/96/70/01/530967001.db2.gz XRCDNYCVMFLLNF-CQSZACIVSA-N 0 3 384.274 0.902 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C2(C)CC[NH2+]CC2)s1 ZINC000420451565 530967923 /nfs/dbraw/zinc/96/79/23/530967923.db2.gz RAQAEYRVNCLXGH-UHFFFAOYSA-N 0 3 395.572 0.650 20 0 GCADHN COC(=O)c1c(OC)ccc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)c1OC ZINC000420457189 530968003 /nfs/dbraw/zinc/96/80/03/530968003.db2.gz HQLXHUDHYFWPTJ-MRVPVSSYSA-N 0 3 382.385 0.751 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CCC[NH2+]C2CC2)s1 ZINC000420453579 530968240 /nfs/dbraw/zinc/96/82/40/530968240.db2.gz VCFOWEXFZOOQMO-UHFFFAOYSA-N 0 3 395.572 0.650 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)cc1 ZINC000420469922 530968559 /nfs/dbraw/zinc/96/85/59/530968559.db2.gz WEEDTUTZEXIHIW-CYBMUJFWSA-N 0 3 399.485 0.978 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000420472964 530968791 /nfs/dbraw/zinc/96/87/91/530968791.db2.gz UBJPPCYFNYDOFA-LSDHHAIUSA-N 0 3 393.506 0.164 20 0 GCADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000632370361 530968802 /nfs/dbraw/zinc/96/88/02/530968802.db2.gz YTXNBWOZORQEHJ-HIFRSBDPSA-N 0 3 375.516 0.319 20 0 GCADHN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1 ZINC000420476453 530968930 /nfs/dbraw/zinc/96/89/30/530968930.db2.gz IGCUBBGYGCNNCQ-NSHDSACASA-N 0 3 381.376 0.245 20 0 GCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000632370131 530969085 /nfs/dbraw/zinc/96/90/85/530969085.db2.gz VVHNPKMJUBOBFU-SWLSCSKDSA-N 0 3 375.516 0.650 20 0 GCADHN CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000420485329 530969356 /nfs/dbraw/zinc/96/93/56/530969356.db2.gz ZRUOBGJUGMWMOO-LLVKDONJSA-N 0 3 378.292 0.782 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(Br)cc1 ZINC000521986595 530972060 /nfs/dbraw/zinc/97/20/60/530972060.db2.gz VPDNMAANJLCKPR-FZMZJTMJSA-N 0 3 383.290 0.728 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](N)C2)c(Br)c1 ZINC000261961438 530991624 /nfs/dbraw/zinc/99/16/24/530991624.db2.gz AEFRXENRWAUJRY-QMMMGPOBSA-N 0 3 383.289 0.574 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]([NH3+])C2CC2)c(Br)c1 ZINC000262012053 530992560 /nfs/dbraw/zinc/99/25/60/530992560.db2.gz HQIZDSRFMDHBGB-LLVKDONJSA-N 0 3 397.316 0.868 20 0 GCADHN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCNCC2)cc1F ZINC000262099824 530993143 /nfs/dbraw/zinc/99/31/43/530993143.db2.gz CNLLPBJZZFFDHN-UHFFFAOYSA-N 0 3 379.479 0.961 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c(OC)c1 ZINC000262096999 530993170 /nfs/dbraw/zinc/99/31/70/530993170.db2.gz BYOKPBVCPHKSMK-LBPRGKRZSA-N 0 3 377.488 0.472 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](N)c2ccccc2)cc1C ZINC000262083633 530993265 /nfs/dbraw/zinc/99/32/65/530993265.db2.gz QSWIFUBXQLCFNN-HNNXBMFYSA-N 0 3 383.495 0.881 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@@H]2CC[NH2+]C2)s1 ZINC000262124275 530993590 /nfs/dbraw/zinc/99/35/90/530993590.db2.gz KWQWIISEVNFGAF-LBPRGKRZSA-N 0 3 395.572 0.508 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])c(OC)c1 ZINC000262115154 530993848 /nfs/dbraw/zinc/99/38/48/530993848.db2.gz IJWNXXUFBKIKBY-GFCCVEGCSA-N 0 3 377.488 0.569 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C[NH3+])C2CC2)s1 ZINC000262146432 530994356 /nfs/dbraw/zinc/99/43/56/530994356.db2.gz QDWMFQHJDSLFMU-GFCCVEGCSA-N 0 3 381.545 0.246 20 0 GCADHN CS(=O)(=O)C1(C(=O)NCc2cccc3c2OC(F)(F)O3)CCNCC1 ZINC000659382534 530994594 /nfs/dbraw/zinc/99/45/94/530994594.db2.gz BEVKRVZRCGQPGH-UHFFFAOYSA-N 0 3 376.381 0.791 20 0 GCADHN C[C@H]1CN(C(C)(C)CNC(=O)C2(S(C)(=O)=O)CCNCC2)C[C@H](C)O1 ZINC000262354207 530996528 /nfs/dbraw/zinc/99/65/28/530996528.db2.gz JMGCATQHZVVSJB-KBPBESRZSA-N 0 3 375.535 0.157 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000262373375 530996984 /nfs/dbraw/zinc/99/69/84/530996984.db2.gz MMMIJAACDNOAHY-VHRBIJSZSA-N 0 3 391.490 0.945 20 0 GCADHN COCCN(C)C[C@@H](O)CN1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301062 530989172 /nfs/dbraw/zinc/98/91/72/530989172.db2.gz VXUPHTLLRAYMEP-SJORKVTESA-N 0 3 377.551 0.252 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000572287638 530989179 /nfs/dbraw/zinc/98/91/79/530989179.db2.gz AGTFVIBKKRRHOJ-SNVBAGLBSA-N 0 3 396.296 0.766 20 0 GCADHN CCn1nc(C)c(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000261749233 530990499 /nfs/dbraw/zinc/99/04/99/530990499.db2.gz QAXFKUBLMMMQKB-GFCCVEGCSA-N 0 3 383.440 0.634 20 0 GCADHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@H]1C ZINC000524869527 530990716 /nfs/dbraw/zinc/99/07/16/530990716.db2.gz LXSDPCVTAXBQQA-OLZOCXBDSA-N 0 3 375.516 0.827 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000524814906 530990748 /nfs/dbraw/zinc/99/07/48/530990748.db2.gz ZSPPZRDJZLQTGV-JYJNAYRXSA-N 0 3 376.567 0.340 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000660449158 531007607 /nfs/dbraw/zinc/00/76/07/531007607.db2.gz KFYBAWVXKLJNBK-LXTVHRRPSA-N 0 3 375.535 0.854 20 0 GCADHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000614443717 531007896 /nfs/dbraw/zinc/00/78/96/531007896.db2.gz YLAJCSHAICRCLY-CABCVRRESA-N 0 3 375.535 0.398 20 0 GCADHN CC(C)(C)NS(=O)(=O)CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660582075 531008301 /nfs/dbraw/zinc/00/83/01/531008301.db2.gz KKLJFZLNJKZGIC-AWEZNQCLSA-N 0 3 376.523 0.257 20 0 GCADHN CSC1(CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)CCN(C)CC1 ZINC000572471367 531008654 /nfs/dbraw/zinc/00/86/54/531008654.db2.gz STBFXILBDFEARM-UHFFFAOYSA-N 0 3 392.591 0.785 20 0 GCADHN Cc1nc(-c2ccc(CNC(=O)C(=O)NC[C@H]3CNCCO3)s2)cs1 ZINC000572467631 531009139 /nfs/dbraw/zinc/00/91/39/531009139.db2.gz VTUAGFTZQRQAEC-LLVKDONJSA-N 0 3 380.495 0.901 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@H](C)NCC(C)(C)S(C)(=O)=O)CC1 ZINC000611966976 531009259 /nfs/dbraw/zinc/00/92/59/531009259.db2.gz KAMTWMOHQVFWKW-ZDUSSCGKSA-N 0 3 376.519 0.980 20 0 GCADHN CC(C(=O)N1CSC[C@@H]1C(=O)NCC1CC1)S(=O)(=O)C1CCOCC1 ZINC000332958528 531010291 /nfs/dbraw/zinc/01/02/91/531010291.db2.gz RFUMNEVDJDVTHZ-SMDDNHRTSA-N 0 3 390.527 0.396 20 0 GCADHN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000332956354 531010648 /nfs/dbraw/zinc/01/06/48/531010648.db2.gz KNMMQLUQPIWLGD-SGMGOOAPSA-N 0 3 392.543 0.785 20 0 GCADHN CN1CCC[C@H](CNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000533103778 531034460 /nfs/dbraw/zinc/03/44/60/531034460.db2.gz JANIGIHCYLTLAX-CHWSQXEVSA-N 0 3 375.516 0.524 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCC[C@H](C)[C@@H]1CCO)S(C)(=O)=O ZINC000661489227 531015328 /nfs/dbraw/zinc/01/53/28/531015328.db2.gz AEWURBZFITVLTQ-HOTGVXAUSA-N 0 3 377.551 0.646 20 0 GCADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCNCC1 ZINC000423188403 531017222 /nfs/dbraw/zinc/01/72/22/531017222.db2.gz YYIWBBXDECAZHH-UHFFFAOYSA-N 0 3 397.317 0.771 20 0 GCADHN CCCN1CC[C@H](NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000661950474 531017645 /nfs/dbraw/zinc/01/76/45/531017645.db2.gz ALVMVPWNPDDUPS-GJZGRUSLSA-N 0 3 376.523 0.258 20 0 GCADHN CN(C(=O)C(=O)N1CCC[C@@H](N)C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000423564371 531018009 /nfs/dbraw/zinc/01/80/09/531018009.db2.gz PLBQAMDMPBDMPK-DGCLKSJQSA-N 0 3 385.873 0.577 20 0 GCADHN CN(C(=O)C(=O)N1CCC[C@H](N)C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000423564372 531018038 /nfs/dbraw/zinc/01/80/38/531018038.db2.gz PLBQAMDMPBDMPK-WCQYABFASA-N 0 3 385.873 0.577 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)C[C@@H]1N ZINC000423576329 531018101 /nfs/dbraw/zinc/01/81/01/531018101.db2.gz ZZFAFDVNWAHQKS-ICCXJUOJSA-N 0 3 385.873 0.432 20 0 GCADHN O=C(COc1cccc(I)c1)NC[C@H]1CNCCO1 ZINC000424008786 531019264 /nfs/dbraw/zinc/01/92/64/531019264.db2.gz WKTDUSHEEAPKJB-GFCCVEGCSA-N 0 3 376.194 0.775 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000423990498 531019525 /nfs/dbraw/zinc/01/95/25/531019525.db2.gz KIRUJOGJGHBKEP-VXGBXAGGSA-N 0 3 382.258 0.907 20 0 GCADHN [NH3+][C@H]1Cc2ccccc2N(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000424078272 531020150 /nfs/dbraw/zinc/02/01/50/531020150.db2.gz QFLGANUFEAZFSF-JTQLQIEISA-N 0 3 379.214 0.628 20 0 GCADHN O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cc2c(s1)CCNC2 ZINC000662454626 531021386 /nfs/dbraw/zinc/02/13/86/531021386.db2.gz DGARVXJHYCBOLI-CYBMUJFWSA-N 0 3 387.527 0.612 20 0 GCADHN C[C@](N)(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(Br)cc1 ZINC000662749824 531022511 /nfs/dbraw/zinc/02/25/11/531022511.db2.gz LWSJQAWJELJGRD-OAHLLOKOSA-N 0 3 380.246 0.894 20 0 GCADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000424139559 531024204 /nfs/dbraw/zinc/02/42/04/531024204.db2.gz NNVGHWSRHFIVPV-UONOGXRCSA-N 0 3 382.258 0.846 20 0 GCADHN CS(=O)(=O)CCCCNCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000424173349 531027420 /nfs/dbraw/zinc/02/74/20/531027420.db2.gz PLBCQNAZPBCKBZ-UHFFFAOYSA-N 0 3 390.527 0.622 20 0 GCADHN CNS(=O)(=O)c1ccc(CS(=O)(=O)C(C)C(=O)N2CCCCC2)cc1 ZINC000663296648 531032183 /nfs/dbraw/zinc/03/21/83/531032183.db2.gz OHQSSEHDCVBYQD-ZDUSSCGKSA-N 0 3 388.511 0.911 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)CC1 ZINC000659947614 530998771 /nfs/dbraw/zinc/99/87/71/530998771.db2.gz OPMPBNDWHUYOAH-DLBZAZTESA-N 0 3 377.551 0.516 20 0 GCADHN COCCNCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000262673052 530998873 /nfs/dbraw/zinc/99/88/73/530998873.db2.gz RYCZQDWBRLKJIH-ZDUSSCGKSA-N 0 3 375.516 0.644 20 0 GCADHN CC(C)O[C@@]1(CS(=O)(=O)NCCN2CCN(C)C(C)(C)C2)CCOC1 ZINC000659962372 530999737 /nfs/dbraw/zinc/99/97/37/530999737.db2.gz WMCBPCNYZJYEEP-KRWDZBQOSA-N 0 3 377.551 0.516 20 0 GCADHN CC[NH+](CC)CC[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000572406935 531004127 /nfs/dbraw/zinc/00/41/27/531004127.db2.gz WQNVSMQKZWKBAC-NSHDSACASA-N 0 3 397.950 0.889 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000262770607 531064558 /nfs/dbraw/zinc/06/45/58/531064558.db2.gz VUBOBNOCIOIENM-GWCFXTLKSA-N 0 3 379.479 0.993 20 0 GCADHN CCN(CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000477010398 531065519 /nfs/dbraw/zinc/06/55/19/531065519.db2.gz VDCYRWGWEDVNSM-NSHDSACASA-N 0 3 375.516 0.614 20 0 GCADHN C[C@@H]1NCCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)[C@H]1C ZINC000262776283 531065534 /nfs/dbraw/zinc/06/55/34/531065534.db2.gz KTGAUEXTWJAPEF-IUCAKERBSA-N 0 3 396.332 0.998 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000614847017 531038210 /nfs/dbraw/zinc/03/82/10/531038210.db2.gz JHJJUCWLKZUETB-LBPRGKRZSA-N 0 3 383.392 0.729 20 0 GCADHN CNS(=O)(=O)CCCN1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539150594 531038922 /nfs/dbraw/zinc/03/89/22/531038922.db2.gz ZYFJDKRTWDUSBX-HZPDHXFCSA-N 0 3 377.551 0.516 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000614847338 531039077 /nfs/dbraw/zinc/03/90/77/531039077.db2.gz LYEZWTNKHGIQMD-LBPRGKRZSA-N 0 3 382.404 0.604 20 0 GCADHN NCCNC(=O)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424515376 531040932 /nfs/dbraw/zinc/04/09/32/531040932.db2.gz CGCZADKOKAHZFH-UHFFFAOYSA-N 0 3 381.601 0.636 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000539286608 531041181 /nfs/dbraw/zinc/04/11/81/531041181.db2.gz NTHLBHGSMKXCAJ-QMMMGPOBSA-N 0 3 380.189 0.705 20 0 GCADHN CN(CCN)C(=O)C(=O)NCc1cc(Cl)cc(I)c1 ZINC000424545950 531042647 /nfs/dbraw/zinc/04/26/47/531042647.db2.gz MELBGFZWZPXKRD-UHFFFAOYSA-N 0 3 395.628 0.978 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CC1 ZINC000664981501 531046552 /nfs/dbraw/zinc/04/65/52/531046552.db2.gz CNZRDQIUNHYMAL-HNNXBMFYSA-N 0 3 375.539 0.288 20 0 GCADHN CN(C)C[C@H](NC(=O)NCCNS(=O)(=O)N(C)C)c1ccc(F)cc1 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CC(C)N(CCCNC(=O)CN1CC[C@@H](O)C12CCCC2)S(C)(=O)=O ZINC000433303135 531128395 /nfs/dbraw/zinc/12/83/95/531128395.db2.gz ZOHZQRZBMBPKGH-OAHLLOKOSA-N 0 3 375.535 0.542 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433400976 531129838 /nfs/dbraw/zinc/12/98/38/531129838.db2.gz WAOCEQGXFJLEHJ-CQSZACIVSA-N 0 3 376.523 0.068 20 0 GCADHN CCN(CC)S(=O)(=O)CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433400297 531129885 /nfs/dbraw/zinc/12/98/85/531129885.db2.gz MUGMOHLAEROHMA-OAHLLOKOSA-N 0 3 378.539 0.458 20 0 GCADHN O=S(=O)(CCNS(=O)(=O)c1ccccc1)N[C@H]1CCN(CC2CC2)C1 ZINC000675148914 531129969 /nfs/dbraw/zinc/12/99/69/531129969.db2.gz XNZJGJDEXCSQKN-HNNXBMFYSA-N 0 3 387.527 0.369 20 0 GCADHN CN(C)CCOCCNC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000550213674 531130653 /nfs/dbraw/zinc/13/06/53/531130653.db2.gz FQEYLXUPFSPTMI-UHFFFAOYSA-N 0 3 392.319 0.864 20 0 GCADHN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CCN1C ZINC000433660497 531131178 /nfs/dbraw/zinc/13/11/78/531131178.db2.gz 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531152694 /nfs/dbraw/zinc/15/26/94/531152694.db2.gz RCVNSLMOFMHFDB-SECBINFHSA-N 0 3 376.866 0.716 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](CN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000678807547 531153868 /nfs/dbraw/zinc/15/38/68/531153868.db2.gz HGBSZXVCMPNDNE-FZMZJTMJSA-N 0 3 376.475 0.915 20 0 GCADHN CN(CCNC(=O)CN(C)[C@@H]1CCSC1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000438363841 531154006 /nfs/dbraw/zinc/15/40/06/531154006.db2.gz MBRUIYHZXSVBOQ-HUUCEWRRSA-N 0 3 388.603 0.436 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)[C@H](C)C1 ZINC000553600102 531154553 /nfs/dbraw/zinc/15/45/53/531154553.db2.gz VHHUUSXDJBGVCT-HIFRSBDPSA-N 0 3 378.564 0.489 20 0 GCADHN CN(CCN(C)S(=O)(=O)CC1CCS(=O)(=O)CC1)C1CCN(C)CC1 ZINC000553797789 531156960 /nfs/dbraw/zinc/15/69/60/531156960.db2.gz FQNNRHCTLUDYTM-UHFFFAOYSA-N 0 3 395.591 0.099 20 0 GCADHN Cn1cc(NC(=O)NCC2CCN(CCO)CC2)cc(Br)c1=O ZINC000156300951 531155830 /nfs/dbraw/zinc/15/58/30/531155830.db2.gz XFSZLKXGEBBHFO-UHFFFAOYSA-N 0 3 387.278 0.974 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000554131780 531159965 /nfs/dbraw/zinc/15/99/65/531159965.db2.gz QOGHDFHCWWZHDM-XHSDSOJGSA-N 0 3 375.535 0.520 20 0 GCADHN CN(C[C@@H](O)CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)C1CC1 ZINC000554932669 531166384 /nfs/dbraw/zinc/16/63/84/531166384.db2.gz MBDMTEZWUDUOMA-CQSZACIVSA-N 0 3 387.468 0.730 20 0 GCADHN CN(C)C1(CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCC1 ZINC000682169057 531171324 /nfs/dbraw/zinc/17/13/24/531171324.db2.gz ZTNSUXUBODELBD-UHFFFAOYSA-N 0 3 387.527 0.983 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CCSC1 ZINC000556202816 531173976 /nfs/dbraw/zinc/17/39/76/531173976.db2.gz CZQBYWLRNHYFAZ-CQSZACIVSA-N 0 3 382.452 0.246 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000564611187 531175368 /nfs/dbraw/zinc/17/53/68/531175368.db2.gz ZCKLQTFACKBHIJ-IJLUTSLNSA-N 0 3 390.424 0.587 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000564470541 531174612 /nfs/dbraw/zinc/17/46/12/531174612.db2.gz IPMIGSGDQCRYBV-VXGBXAGGSA-N 0 3 395.257 0.466 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000564470540 531174755 /nfs/dbraw/zinc/17/47/55/531174755.db2.gz IPMIGSGDQCRYBV-RYUDHWBXSA-N 0 3 395.257 0.466 20 0 GCADHN CS(=O)(=O)N1CC[C@H](CN[C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000152884651 531176528 /nfs/dbraw/zinc/17/65/28/531176528.db2.gz PTBUTEDSUGOTRA-MFKMUULPSA-N 0 3 390.303 0.847 20 0 GCADHN CCN(CC)CCN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000564994532 531177896 /nfs/dbraw/zinc/17/78/96/531177896.db2.gz CFIPAWBMUQIODT-CVEARBPZSA-N 0 3 375.535 0.113 20 0 GCADHN COc1ccc([C@H]2CCNC[C@@H]2NS(=O)(=O)CCCS(C)(=O)=O)cc1 ZINC000440855628 531178039 /nfs/dbraw/zinc/17/80/39/531178039.db2.gz GFGSHYIHGPSQLL-CVEARBPZSA-N 0 3 390.527 0.495 20 0 GCADHN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](OC)C[C@H]2CN)cc1 ZINC000440850467 531178059 /nfs/dbraw/zinc/17/80/59/531178059.db2.gz CSOWGSCFNKEJDD-STQMWFEESA-N 0 3 376.500 0.607 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H]2CC[NH2+]C2)s1 ZINC000440859937 531178087 /nfs/dbraw/zinc/17/80/87/531178087.db2.gz JJEQZPUQHBAEIF-NSHDSACASA-N 0 3 381.545 0.118 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000440807277 531177409 /nfs/dbraw/zinc/17/74/09/531177409.db2.gz UTRWGKRWMBVEHB-NSHDSACASA-N 0 3 379.479 0.947 20 0 GCADHN COCCN(CCN(C)C)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000565016082 531178712 /nfs/dbraw/zinc/17/87/12/531178712.db2.gz VDFDXWSRUOFEMQ-UHFFFAOYSA-N 0 3 377.894 0.655 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)CN1C1CC1 ZINC000440945003 531178711 /nfs/dbraw/zinc/17/87/11/531178711.db2.gz ZIJMRDIQPODTMG-OLZOCXBDSA-N 0 3 376.548 0.289 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccc(O)c(Br)c3)CCN2C1=O ZINC000565252571 531183450 /nfs/dbraw/zinc/18/34/50/531183450.db2.gz DLTPJYJXYVYFFD-CMPLNLGQSA-N 0 3 383.246 0.608 20 0 GCADHN CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000684126526 531183623 /nfs/dbraw/zinc/18/36/23/531183623.db2.gz VBLSPQQOZBNPKQ-CQSZACIVSA-N 0 3 375.539 0.240 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)C1=CCN(C)CC1 ZINC000442344373 531186180 /nfs/dbraw/zinc/18/61/80/531186180.db2.gz WJSBBNIHLBIISF-SNVBAGLBSA-N 0 3 397.273 0.853 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccn(CCN(C)C)n2)s1 ZINC000565493217 531186641 /nfs/dbraw/zinc/18/66/41/531186641.db2.gz OQUNHXZYAZXWOV-UHFFFAOYSA-N 0 3 385.515 0.523 20 0 GCADHN CC(C(=O)NCCn1cc(Br)cn1)S(=O)(=O)C1CCOCC1 ZINC000565675324 531189389 /nfs/dbraw/zinc/18/93/89/531189389.db2.gz RJPGYRASDBDSON-JTQLQIEISA-N 0 3 394.291 0.744 20 0 GCADHN CC(C(=O)NCCn1cc(Br)cn1)S(=O)(=O)C1CCOCC1 ZINC000565675334 531189455 /nfs/dbraw/zinc/18/94/55/531189455.db2.gz RJPGYRASDBDSON-SNVBAGLBSA-N 0 3 394.291 0.744 20 0 GCADHN NS(=O)(=O)c1ccc2c(c1)[C@H](NCCCN1CCCS1(=O)=O)CCC2 ZINC000685649974 531192071 /nfs/dbraw/zinc/19/20/71/531192071.db2.gz HMSOALQOKJDWSL-MRXNPFEDSA-N 0 3 387.527 0.727 20 0 GCADHN Cc1nc(S(=O)(=O)C(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)sc1C ZINC000565965118 531192980 /nfs/dbraw/zinc/19/29/80/531192980.db2.gz WFDYSFOIBDJRCA-MNOVXSKESA-N 0 3 380.513 0.568 20 0 GCADHN CN(CCCN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)S(C)(=O)=O ZINC000685644486 531191945 /nfs/dbraw/zinc/19/19/45/531191945.db2.gz BZTVRIZKLUAIKF-OAHLLOKOSA-N 0 3 375.516 0.583 20 0 GCADHN Cc1nc(S(=O)(=O)C(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)sc1C ZINC000565965108 531193201 /nfs/dbraw/zinc/19/32/01/531193201.db2.gz WFDYSFOIBDJRCA-GHMZBOCLSA-N 0 3 380.513 0.568 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)NCC1(N2CCCC2)CCOCC1 ZINC000443063656 531196061 /nfs/dbraw/zinc/19/60/61/531196061.db2.gz DPUAWANKBBVYAD-UHFFFAOYSA-N 0 3 389.499 0.853 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000047773911 531196469 /nfs/dbraw/zinc/19/64/69/531196469.db2.gz CCTMSVRNRQZMHE-CQSZACIVSA-N 0 3 387.527 0.983 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566198974 531195370 /nfs/dbraw/zinc/19/53/70/531195370.db2.gz KNXVYLLMHGCWIZ-WDEREUQCSA-N 0 3 385.262 0.560 20 0 GCADHN CN(C)C[C@H](O)COc1ccc(NS(=O)(=O)CCCS(C)(=O)=O)cc1 ZINC000443176440 531197621 /nfs/dbraw/zinc/19/76/21/531197621.db2.gz VIPOTRVRHQYVGU-AWEZNQCLSA-N 0 3 394.515 0.164 20 0 GCADHN COCCN(C)C[C@H](O)Cn1nnc(Cc2ccccc2Br)n1 ZINC000566482126 531198303 /nfs/dbraw/zinc/19/83/03/531198303.db2.gz RUQSLYZWNJYTGS-ZDUSSCGKSA-N 0 3 384.278 0.966 20 0 GCADHN CC(=O)N1CCN(C(=O)CCNC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000359874786 209197575 /nfs/dbraw/zinc/19/75/75/209197575.db2.gz RGGSWESNZOGBFZ-UHFFFAOYSA-N 0 3 394.516 0.219 20 0 GCADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(CC2CCCCC2)CC1 ZINC000064129814 212074840 /nfs/dbraw/zinc/07/48/40/212074840.db2.gz XEONANIXCGSLIE-CQSZACIVSA-N 0 3 391.516 0.435 20 0 GCADHN O=C(CC1CCCCC1)NCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737818842 598838054 /nfs/dbraw/zinc/83/80/54/598838054.db2.gz FDSVBPLMXYSFGX-CQSZACIVSA-N 0 3 387.492 0.781 20 0 GCADHN O=C(CC1CCCCC1)NCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737818842 598838055 /nfs/dbraw/zinc/83/80/55/598838055.db2.gz FDSVBPLMXYSFGX-CQSZACIVSA-N 0 3 387.492 0.781 20 0 GCADHN C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736762577 598854461 /nfs/dbraw/zinc/85/44/61/598854461.db2.gz JEYCFVBSJGISFE-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736762577 598854463 /nfs/dbraw/zinc/85/44/63/598854463.db2.gz JEYCFVBSJGISFE-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000736902969 598862970 /nfs/dbraw/zinc/86/29/70/598862970.db2.gz WWUJVMZTDKBLON-SUMWQHHRSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000736902969 598862971 /nfs/dbraw/zinc/86/29/71/598862971.db2.gz WWUJVMZTDKBLON-SUMWQHHRSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000736902969 598862972 /nfs/dbraw/zinc/86/29/72/598862972.db2.gz WWUJVMZTDKBLON-SUMWQHHRSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000736902969 598862974 /nfs/dbraw/zinc/86/29/74/598862974.db2.gz WWUJVMZTDKBLON-SUMWQHHRSA-N 0 3 388.472 0.858 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737764273 598898010 /nfs/dbraw/zinc/89/80/10/598898010.db2.gz KAZMAZDIAIMANW-LBPRGKRZSA-N 0 3 393.473 0.196 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737764273 598898012 /nfs/dbraw/zinc/89/80/12/598898012.db2.gz KAZMAZDIAIMANW-LBPRGKRZSA-N 0 3 393.473 0.196 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737764273 598898014 /nfs/dbraw/zinc/89/80/14/598898014.db2.gz KAZMAZDIAIMANW-LBPRGKRZSA-N 0 3 393.473 0.196 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737764273 598898016 /nfs/dbraw/zinc/89/80/16/598898016.db2.gz KAZMAZDIAIMANW-LBPRGKRZSA-N 0 3 393.473 0.196 20 0 GCADHN O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)NC1CC[NH+](CCO)CC1 ZINC000738163287 598933415 /nfs/dbraw/zinc/93/34/15/598933415.db2.gz LBZPNQJTMZFUHK-UHFFFAOYSA-N 0 3 393.835 0.032 20 0 GCADHN O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)NC1CC[NH+](CCO)CC1 ZINC000738163287 598933417 /nfs/dbraw/zinc/93/34/17/598933417.db2.gz LBZPNQJTMZFUHK-UHFFFAOYSA-N 0 3 393.835 0.032 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000736184573 599034915 /nfs/dbraw/zinc/03/49/15/599034915.db2.gz LWWWRABUPYMMOJ-HZPDHXFCSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000736184573 599034917 /nfs/dbraw/zinc/03/49/17/599034917.db2.gz LWWWRABUPYMMOJ-HZPDHXFCSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000736184573 599034920 /nfs/dbraw/zinc/03/49/20/599034920.db2.gz LWWWRABUPYMMOJ-HZPDHXFCSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000736184573 599034923 /nfs/dbraw/zinc/03/49/23/599034923.db2.gz LWWWRABUPYMMOJ-HZPDHXFCSA-N 0 3 399.499 0.872 20 0 GCADHN CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000821598972 599061411 /nfs/dbraw/zinc/06/14/11/599061411.db2.gz AOLMKMMCQOIXPB-GFCCVEGCSA-N 0 3 379.490 0.825 20 0 GCADHN CN(CC[C@H]1CCCC[N@H+]1C)c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000821598972 599061413 /nfs/dbraw/zinc/06/14/13/599061413.db2.gz AOLMKMMCQOIXPB-GFCCVEGCSA-N 0 3 379.490 0.825 20 0 GCADHN CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000821598972 599061416 /nfs/dbraw/zinc/06/14/16/599061416.db2.gz AOLMKMMCQOIXPB-GFCCVEGCSA-N 0 3 379.490 0.825 20 0 GCADHN CN(CC[C@H]1CCCC[N@H+]1C)c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000821598972 599061419 /nfs/dbraw/zinc/06/14/19/599061419.db2.gz AOLMKMMCQOIXPB-GFCCVEGCSA-N 0 3 379.490 0.825 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736854168 599079732 /nfs/dbraw/zinc/07/97/32/599079732.db2.gz APNREPAZRBBAGD-QGZVFWFLSA-N 0 3 384.488 0.517 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736854168 599079735 /nfs/dbraw/zinc/07/97/35/599079735.db2.gz APNREPAZRBBAGD-QGZVFWFLSA-N 0 3 384.488 0.517 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736859251 599079794 /nfs/dbraw/zinc/07/97/94/599079794.db2.gz XZLDXCZVHZNJAA-QGZVFWFLSA-N 0 3 384.488 0.517 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736859251 599079795 /nfs/dbraw/zinc/07/97/95/599079795.db2.gz XZLDXCZVHZNJAA-QGZVFWFLSA-N 0 3 384.488 0.517 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858865 599080258 /nfs/dbraw/zinc/08/02/58/599080258.db2.gz VJJIFJYSZRKRPC-DLBZAZTESA-N 0 3 384.488 0.105 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858865 599080261 /nfs/dbraw/zinc/08/02/61/599080261.db2.gz VJJIFJYSZRKRPC-DLBZAZTESA-N 0 3 384.488 0.105 20 0 GCADHN COC(=O)COc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736931672 599101584 /nfs/dbraw/zinc/10/15/84/599101584.db2.gz SHBXFQWIGAFISO-ZDUSSCGKSA-N 0 3 398.427 0.447 20 0 GCADHN COC(=O)COc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736931672 599101585 /nfs/dbraw/zinc/10/15/85/599101585.db2.gz SHBXFQWIGAFISO-ZDUSSCGKSA-N 0 3 398.427 0.447 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736858562 599150031 /nfs/dbraw/zinc/15/00/31/599150031.db2.gz SWHXXGSKPJNIAZ-INIZCTEOSA-N 0 3 398.471 0.044 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736858562 599150034 /nfs/dbraw/zinc/15/00/34/599150034.db2.gz SWHXXGSKPJNIAZ-INIZCTEOSA-N 0 3 398.471 0.044 20 0 GCADHN O=C(CC[NH+](CCO)CCO)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737837400 599242051 /nfs/dbraw/zinc/24/20/51/599242051.db2.gz GEXDGLBRCOFYIN-UHFFFAOYSA-N 0 3 380.474 0.422 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822054468 607272696 /nfs/dbraw/zinc/27/26/96/607272696.db2.gz ZVRRFYYXKJKLPR-ZDUSSCGKSA-N 0 3 387.444 0.077 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000820542269 607297963 /nfs/dbraw/zinc/29/79/63/607297963.db2.gz MXQPQXQHQODSLY-LSDHHAIUSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000820542269 607297964 /nfs/dbraw/zinc/29/79/64/607297964.db2.gz MXQPQXQHQODSLY-LSDHHAIUSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000820542269 607297965 /nfs/dbraw/zinc/29/79/65/607297965.db2.gz MXQPQXQHQODSLY-LSDHHAIUSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000820542269 607297966 /nfs/dbraw/zinc/29/79/66/607297966.db2.gz MXQPQXQHQODSLY-LSDHHAIUSA-N 0 3 388.472 0.987 20 0 GCADHN CN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736860481 599283421 /nfs/dbraw/zinc/28/34/21/599283421.db2.gz REIBTESCUPIQSF-JTQLQIEISA-N 0 3 395.370 0.617 20 0 GCADHN O=C(CC[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)N1CCOCC1 ZINC000737839862 598249686 /nfs/dbraw/zinc/24/96/86/598249686.db2.gz VMNKMBFUCFRAMH-UHFFFAOYSA-N 0 3 386.456 0.959 20 0 GCADHN O=C(CC[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)N1CCOCC1 ZINC000737839862 598249687 /nfs/dbraw/zinc/24/96/87/598249687.db2.gz VMNKMBFUCFRAMH-UHFFFAOYSA-N 0 3 386.456 0.959 20 0 GCADHN O[C@H](CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)C[NH+]1CCCC1 ZINC000738380279 598274212 /nfs/dbraw/zinc/27/42/12/598274212.db2.gz FPCIOFHRAPGFGO-HNNXBMFYSA-N 0 3 375.452 0.585 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736146290 598349180 /nfs/dbraw/zinc/34/91/80/598349180.db2.gz ZJJRZNQQEIPYCE-ZIAGYGMSSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736146290 598349183 /nfs/dbraw/zinc/34/91/83/598349183.db2.gz ZJJRZNQQEIPYCE-ZIAGYGMSSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736146290 598349185 /nfs/dbraw/zinc/34/91/85/598349185.db2.gz ZJJRZNQQEIPYCE-ZIAGYGMSSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736146290 598349186 /nfs/dbraw/zinc/34/91/86/598349186.db2.gz ZJJRZNQQEIPYCE-ZIAGYGMSSA-N 0 3 387.488 0.971 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736860249 598351294 /nfs/dbraw/zinc/35/12/94/598351294.db2.gz MWEITTJBEMXXRQ-JKSUJKDBSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736860249 598351296 /nfs/dbraw/zinc/35/12/96/598351296.db2.gz MWEITTJBEMXXRQ-JKSUJKDBSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736860249 598351297 /nfs/dbraw/zinc/35/12/97/598351297.db2.gz MWEITTJBEMXXRQ-JKSUJKDBSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736860249 598351299 /nfs/dbraw/zinc/35/12/99/598351299.db2.gz MWEITTJBEMXXRQ-JKSUJKDBSA-N 0 3 383.456 0.682 20 0 GCADHN C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000736289625 598352654 /nfs/dbraw/zinc/35/26/54/598352654.db2.gz WJARVRPQXLBXAT-WMLDXEAASA-N 0 3 389.479 0.843 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C(C)C ZINC000736537149 598361754 /nfs/dbraw/zinc/36/17/54/598361754.db2.gz RNKTWCOEEWUTQU-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C(C)C ZINC000736537149 598361756 /nfs/dbraw/zinc/36/17/56/598361756.db2.gz RNKTWCOEEWUTQU-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C(C)C ZINC000736537149 598361759 /nfs/dbraw/zinc/36/17/59/598361759.db2.gz RNKTWCOEEWUTQU-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C(C)C ZINC000736537149 598361761 /nfs/dbraw/zinc/36/17/61/598361761.db2.gz RNKTWCOEEWUTQU-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC000736536114 598362041 /nfs/dbraw/zinc/36/20/41/598362041.db2.gz CPNUDQPGONKSEH-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC000736536114 598362043 /nfs/dbraw/zinc/36/20/43/598362043.db2.gz CPNUDQPGONKSEH-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC000736536114 598362044 /nfs/dbraw/zinc/36/20/44/598362044.db2.gz CPNUDQPGONKSEH-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC000736536114 598362046 /nfs/dbraw/zinc/36/20/46/598362046.db2.gz CPNUDQPGONKSEH-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN C[N@H+](CCO)C1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736801874 598366989 /nfs/dbraw/zinc/36/69/89/598366989.db2.gz MJZFNWQAYBSGIN-QGZVFWFLSA-N 0 3 385.472 0.361 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736801874 598366991 /nfs/dbraw/zinc/36/69/91/598366991.db2.gz MJZFNWQAYBSGIN-QGZVFWFLSA-N 0 3 385.472 0.361 20 0 GCADHN C[N@H+](CCO)C1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736801874 598366993 /nfs/dbraw/zinc/36/69/93/598366993.db2.gz MJZFNWQAYBSGIN-QGZVFWFLSA-N 0 3 385.472 0.361 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736801874 598366994 /nfs/dbraw/zinc/36/69/94/598366994.db2.gz MJZFNWQAYBSGIN-QGZVFWFLSA-N 0 3 385.472 0.361 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737745448 598374324 /nfs/dbraw/zinc/37/43/24/598374324.db2.gz NWVAMGKDQJNNJZ-WHLNPGIBSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737745448 598374326 /nfs/dbraw/zinc/37/43/26/598374326.db2.gz NWVAMGKDQJNNJZ-WHLNPGIBSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737745448 598374328 /nfs/dbraw/zinc/37/43/28/598374328.db2.gz NWVAMGKDQJNNJZ-WHLNPGIBSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737745448 598374330 /nfs/dbraw/zinc/37/43/30/598374330.db2.gz NWVAMGKDQJNNJZ-WHLNPGIBSA-N 0 3 383.456 0.584 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000736143894 598375613 /nfs/dbraw/zinc/37/56/13/598375613.db2.gz LXHRODAQEQGKCV-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000736143894 598375615 /nfs/dbraw/zinc/37/56/15/598375615.db2.gz LXHRODAQEQGKCV-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000736143894 598375616 /nfs/dbraw/zinc/37/56/16/598375616.db2.gz LXHRODAQEQGKCV-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000736143894 598375618 /nfs/dbraw/zinc/37/56/18/598375618.db2.gz LXHRODAQEQGKCV-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000738178121 598375800 /nfs/dbraw/zinc/37/58/00/598375800.db2.gz PNFKLJSILFMTIJ-KRWDZBQOSA-N 0 3 396.455 0.775 20 0 GCADHN C[NH+](C)Cc1cccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736770597 598401351 /nfs/dbraw/zinc/40/13/51/598401351.db2.gz BDTQVWIVHJCOIK-UHFFFAOYSA-N 0 3 393.451 0.975 20 0 GCADHN C[NH+](C)Cc1cccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736770597 598401353 /nfs/dbraw/zinc/40/13/53/598401353.db2.gz BDTQVWIVHJCOIK-UHFFFAOYSA-N 0 3 393.451 0.975 20 0 GCADHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736264215 598404610 /nfs/dbraw/zinc/40/46/10/598404610.db2.gz CIWWCANYBIBCNH-KGLIPLIRSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736264215 598404612 /nfs/dbraw/zinc/40/46/12/598404612.db2.gz CIWWCANYBIBCNH-KGLIPLIRSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736264215 598404614 /nfs/dbraw/zinc/40/46/14/598404614.db2.gz CIWWCANYBIBCNH-KGLIPLIRSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736264215 598404616 /nfs/dbraw/zinc/40/46/16/598404616.db2.gz CIWWCANYBIBCNH-KGLIPLIRSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C)CC1 ZINC000736275943 598405620 /nfs/dbraw/zinc/40/56/20/598405620.db2.gz FNFNTUWPWARNAG-CQSZACIVSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C)CC1 ZINC000736275943 598405621 /nfs/dbraw/zinc/40/56/21/598405621.db2.gz FNFNTUWPWARNAG-CQSZACIVSA-N 0 3 385.472 0.833 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000737775598 598435258 /nfs/dbraw/zinc/43/52/58/598435258.db2.gz CYTBBGKQFOJKMY-JKSUJKDBSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000737775598 598435260 /nfs/dbraw/zinc/43/52/60/598435260.db2.gz CYTBBGKQFOJKMY-JKSUJKDBSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000737775598 598435263 /nfs/dbraw/zinc/43/52/63/598435263.db2.gz CYTBBGKQFOJKMY-JKSUJKDBSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000737775598 598435264 /nfs/dbraw/zinc/43/52/64/598435264.db2.gz CYTBBGKQFOJKMY-JKSUJKDBSA-N 0 3 393.455 0.991 20 0 GCADHN CC(C)[N@H+](C)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735857587 598479454 /nfs/dbraw/zinc/47/94/54/598479454.db2.gz VWPQLPHYEVIVOK-UHFFFAOYSA-N 0 3 387.492 0.870 20 0 GCADHN CC(C)[N@@H+](C)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735857587 598479456 /nfs/dbraw/zinc/47/94/56/598479456.db2.gz VWPQLPHYEVIVOK-UHFFFAOYSA-N 0 3 387.492 0.870 20 0 GCADHN CC(C)[N@H+](C)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735857587 598479457 /nfs/dbraw/zinc/47/94/57/598479457.db2.gz VWPQLPHYEVIVOK-UHFFFAOYSA-N 0 3 387.492 0.870 20 0 GCADHN CC(C)[N@@H+](C)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735857587 598479459 /nfs/dbraw/zinc/47/94/59/598479459.db2.gz VWPQLPHYEVIVOK-UHFFFAOYSA-N 0 3 387.492 0.870 20 0 GCADHN CC(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCOCC1 ZINC000735709676 598519352 /nfs/dbraw/zinc/51/93/52/598519352.db2.gz QUZGBVAVOOKWDL-UKRRQHHQSA-N 0 3 375.481 0.051 20 0 GCADHN CC(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)N1CCOCC1 ZINC000735709676 598519354 /nfs/dbraw/zinc/51/93/54/598519354.db2.gz QUZGBVAVOOKWDL-UKRRQHHQSA-N 0 3 375.481 0.051 20 0 GCADHN C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C[C@H](C)O1 ZINC000736292211 598519939 /nfs/dbraw/zinc/51/99/39/598519939.db2.gz NVUQRPYTQPOBJE-MJBXVCDLSA-N 0 3 389.508 0.582 20 0 GCADHN C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C[C@H](C)O1 ZINC000736292211 598519940 /nfs/dbraw/zinc/51/99/40/598519940.db2.gz NVUQRPYTQPOBJE-MJBXVCDLSA-N 0 3 389.508 0.582 20 0 GCADHN Cc1ccc(C(=O)NCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737311772 598525262 /nfs/dbraw/zinc/52/52/62/598525262.db2.gz DVCNNWKQRMYKJI-CYBMUJFWSA-N 0 3 381.444 0.433 20 0 GCADHN Cc1ccc(C(=O)NCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737311772 598525263 /nfs/dbraw/zinc/52/52/63/598525263.db2.gz DVCNNWKQRMYKJI-CYBMUJFWSA-N 0 3 381.444 0.433 20 0 GCADHN CN(C)C(=O)C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000736745327 598526491 /nfs/dbraw/zinc/52/64/91/598526491.db2.gz GASIYCJKVOQOHN-CZUORRHYSA-N 0 3 395.471 0.914 20 0 GCADHN CN(C)C(=O)C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1 ZINC000736745327 598526492 /nfs/dbraw/zinc/52/64/92/598526492.db2.gz GASIYCJKVOQOHN-CZUORRHYSA-N 0 3 395.471 0.914 20 0 GCADHN O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000738354651 598526631 /nfs/dbraw/zinc/52/66/31/598526631.db2.gz JAGLLQOSUWDSPJ-ZDUSSCGKSA-N 0 3 377.474 0.901 20 0 GCADHN O=C1C[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CN1c1ccccc1 ZINC000738302191 598526740 /nfs/dbraw/zinc/52/67/40/598526740.db2.gz VHBYZTIWXZWXMP-STQMWFEESA-N 0 3 379.428 0.500 20 0 GCADHN O=C1C[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CN1c1ccccc1 ZINC000738302191 598526741 /nfs/dbraw/zinc/52/67/41/598526741.db2.gz VHBYZTIWXZWXMP-STQMWFEESA-N 0 3 379.428 0.500 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)C2 ZINC000738434233 598526833 /nfs/dbraw/zinc/52/68/33/598526833.db2.gz AIPFOFVQQAMJSW-AWEZNQCLSA-N 0 3 395.471 0.731 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)C2 ZINC000738434233 598526835 /nfs/dbraw/zinc/52/68/35/598526835.db2.gz AIPFOFVQQAMJSW-AWEZNQCLSA-N 0 3 395.471 0.731 20 0 GCADHN O[C@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)COc1ccc(F)cc1 ZINC000738384050 598526960 /nfs/dbraw/zinc/52/69/60/598526960.db2.gz ZGZDWJYWGGNLLT-WCQYABFASA-N 0 3 388.407 0.274 20 0 GCADHN O[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)COc1ccc(F)cc1 ZINC000738384050 598526961 /nfs/dbraw/zinc/52/69/61/598526961.db2.gz ZGZDWJYWGGNLLT-WCQYABFASA-N 0 3 388.407 0.274 20 0 GCADHN CC(C)c1nnc2n1C[C@H]([NH2+]C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000735952649 598527546 /nfs/dbraw/zinc/52/75/46/598527546.db2.gz JQXWNWYTCZTYNU-VXGBXAGGSA-N 0 3 383.464 0.424 20 0 GCADHN CC(C)c1nnc2n1C[C@H]([NH2+]C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000735952649 598527547 /nfs/dbraw/zinc/52/75/47/598527547.db2.gz JQXWNWYTCZTYNU-VXGBXAGGSA-N 0 3 383.464 0.424 20 0 GCADHN COc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c(OC)c1 ZINC000737090451 598528146 /nfs/dbraw/zinc/52/81/46/598528146.db2.gz OOLFTNOIFBCFTN-LBPRGKRZSA-N 0 3 384.444 0.954 20 0 GCADHN COc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c(OC)c1 ZINC000737090451 598528148 /nfs/dbraw/zinc/52/81/48/598528148.db2.gz OOLFTNOIFBCFTN-LBPRGKRZSA-N 0 3 384.444 0.954 20 0 GCADHN O=C(CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NCc1ccccc1 ZINC000737845888 598528774 /nfs/dbraw/zinc/52/87/74/598528774.db2.gz AVPLTWNXBONKGX-CQSZACIVSA-N 0 3 381.444 0.401 20 0 GCADHN O=C(CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)NCc1ccccc1 ZINC000737845888 598528775 /nfs/dbraw/zinc/52/87/75/598528775.db2.gz AVPLTWNXBONKGX-CQSZACIVSA-N 0 3 381.444 0.401 20 0 GCADHN C[C@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc2c(c1)CC(=O)N2C ZINC000736137530 598529030 /nfs/dbraw/zinc/52/90/30/598529030.db2.gz XNLUWKWNMTYNAK-RYUDHWBXSA-N 0 3 393.455 0.975 20 0 GCADHN C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc2c(c1)CC(=O)N2C ZINC000736137530 598529031 /nfs/dbraw/zinc/52/90/31/598529031.db2.gz XNLUWKWNMTYNAK-RYUDHWBXSA-N 0 3 393.455 0.975 20 0 GCADHN COc1cccc(N2CC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)c1 ZINC000737137132 598529915 /nfs/dbraw/zinc/52/99/15/598529915.db2.gz AALKFLFFHUJLPR-KGLIPLIRSA-N 0 3 395.471 0.982 20 0 GCADHN COc1cccc(N2CC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)c1 ZINC000737137132 598529917 /nfs/dbraw/zinc/52/99/17/598529917.db2.gz AALKFLFFHUJLPR-KGLIPLIRSA-N 0 3 395.471 0.982 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CCCc1nnc3n1CCCCC3)C2 ZINC000738450110 598530386 /nfs/dbraw/zinc/53/03/86/598530386.db2.gz OMWHNHJINXJFAF-CYBMUJFWSA-N 0 3 397.491 0.645 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CCCc1nnc3n1CCCCC3)C2 ZINC000738450110 598530388 /nfs/dbraw/zinc/53/03/88/598530388.db2.gz OMWHNHJINXJFAF-CYBMUJFWSA-N 0 3 397.491 0.645 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000737057325 598536229 /nfs/dbraw/zinc/53/62/29/598536229.db2.gz QUHSSMZJVLLGSM-UHFFFAOYSA-N 0 3 387.444 0.757 20 0 GCADHN O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000823065964 607360434 /nfs/dbraw/zinc/36/04/34/607360434.db2.gz GSWQCGNKBMMAEI-AWEZNQCLSA-N 0 3 376.486 0.922 20 0 GCADHN O=C(C1CCC1)N(CCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C1CC1 ZINC000737783194 598562129 /nfs/dbraw/zinc/56/21/29/598562129.db2.gz IUXFHUVNNGGIFD-CYBMUJFWSA-N 0 3 399.503 0.876 20 0 GCADHN O=C(C1CCC1)N(CCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C1CC1 ZINC000737783194 598562131 /nfs/dbraw/zinc/56/21/31/598562131.db2.gz IUXFHUVNNGGIFD-CYBMUJFWSA-N 0 3 399.503 0.876 20 0 GCADHN C[NH+](C)[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736756780 598600152 /nfs/dbraw/zinc/60/01/52/598600152.db2.gz LQKBKODULFHTKW-RDTXWAMCSA-N 0 3 384.444 0.227 20 0 GCADHN C[NH+](C)[C@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736756777 598600359 /nfs/dbraw/zinc/60/03/59/598600359.db2.gz LQKBKODULFHTKW-KBXCAEBGSA-N 0 3 384.444 0.227 20 0 GCADHN CNS(=O)(=O)C1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736882623 598627096 /nfs/dbraw/zinc/62/70/96/598627096.db2.gz MIVLQAWCYSTMIL-UHFFFAOYSA-N 0 3 393.473 0.209 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C[NH+]1CCCC1 ZINC000736008890 598637556 /nfs/dbraw/zinc/63/75/56/598637556.db2.gz CIVUPPYEWBKHIJ-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C[NH+]1CCCC1 ZINC000736008890 598637558 /nfs/dbraw/zinc/63/75/58/598637558.db2.gz CIVUPPYEWBKHIJ-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN CC[N@@H+]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736570062 598689864 /nfs/dbraw/zinc/68/98/64/598689864.db2.gz NDTQZQSYJUOERQ-UHFFFAOYSA-N 0 3 381.444 0.802 20 0 GCADHN CC[N@H+]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736570062 598689865 /nfs/dbraw/zinc/68/98/65/598689865.db2.gz NDTQZQSYJUOERQ-UHFFFAOYSA-N 0 3 381.444 0.802 20 0 GCADHN O=C1CCCN1[C@H]1CCCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738302306 598708650 /nfs/dbraw/zinc/70/86/50/598708650.db2.gz ISTFXLBZCBQQFA-JKSUJKDBSA-N 0 3 386.456 0.693 20 0 GCADHN O=C(NCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(F)cc1 ZINC000738065232 598712718 /nfs/dbraw/zinc/71/27/18/598712718.db2.gz HWBIAOVZQJIPBW-GFCCVEGCSA-N 0 3 399.434 0.654 20 0 GCADHN O=C(NCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(F)cc1 ZINC000738065232 598712720 /nfs/dbraw/zinc/71/27/20/598712720.db2.gz HWBIAOVZQJIPBW-GFCCVEGCSA-N 0 3 399.434 0.654 20 0 GCADHN O=C(NCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1cccc(F)c1 ZINC000738066565 598712809 /nfs/dbraw/zinc/71/28/09/598712809.db2.gz QJMVEJXAZFHSBL-LBPRGKRZSA-N 0 3 399.434 0.654 20 0 GCADHN O=C(NCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1cccc(F)c1 ZINC000738066565 598712811 /nfs/dbraw/zinc/71/28/11/598712811.db2.gz QJMVEJXAZFHSBL-LBPRGKRZSA-N 0 3 399.434 0.654 20 0 GCADHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737007829 598732163 /nfs/dbraw/zinc/73/21/63/598732163.db2.gz PJIOJVCFKQJFLU-CQSZACIVSA-N 0 3 377.424 0.916 20 0 GCADHN COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737007829 598732165 /nfs/dbraw/zinc/73/21/65/598732165.db2.gz PJIOJVCFKQJFLU-CQSZACIVSA-N 0 3 377.424 0.916 20 0 GCADHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737008512 598732589 /nfs/dbraw/zinc/73/25/89/598732589.db2.gz UXNSYLBNTAOKAZ-CYBMUJFWSA-N 0 3 389.464 0.084 20 0 GCADHN COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737008512 598732590 /nfs/dbraw/zinc/73/25/90/598732590.db2.gz UXNSYLBNTAOKAZ-CYBMUJFWSA-N 0 3 389.464 0.084 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736767652 598776251 /nfs/dbraw/zinc/77/62/51/598776251.db2.gz RYNCITFEXDEZQT-UHFFFAOYSA-N 0 3 381.506 0.122 20 0 GCADHN CC(C)OC(=O)N1CCC([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000735895271 598797689 /nfs/dbraw/zinc/79/76/89/598797689.db2.gz SAUMYBSJWBFSEZ-GFCCVEGCSA-N 0 3 389.464 0.704 20 0 GCADHN CC(C)OC(=O)N1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000735895271 598797690 /nfs/dbraw/zinc/79/76/90/598797690.db2.gz SAUMYBSJWBFSEZ-GFCCVEGCSA-N 0 3 389.464 0.704 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](CCOc3ccccc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000735465773 599298407 /nfs/dbraw/zinc/29/84/07/599298407.db2.gz NJFJVUBNQZSHOI-CRAIPNDOSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](CCOc3ccccc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000735465773 599298408 /nfs/dbraw/zinc/29/84/08/599298408.db2.gz NJFJVUBNQZSHOI-CRAIPNDOSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](CCOc3ccccc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000735465773 599298411 /nfs/dbraw/zinc/29/84/11/599298411.db2.gz NJFJVUBNQZSHOI-CRAIPNDOSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](CCOc3ccccc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000735465773 599298412 /nfs/dbraw/zinc/29/84/12/599298412.db2.gz NJFJVUBNQZSHOI-CRAIPNDOSA-N 0 3 399.499 0.730 20 0 GCADHN CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820028149 599313609 /nfs/dbraw/zinc/31/36/09/599313609.db2.gz VQRRIEBNWZQCCL-INIZCTEOSA-N 0 3 388.476 0.583 20 0 GCADHN CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820028149 599313611 /nfs/dbraw/zinc/31/36/11/599313611.db2.gz VQRRIEBNWZQCCL-INIZCTEOSA-N 0 3 388.476 0.583 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000737059585 599360654 /nfs/dbraw/zinc/36/06/54/599360654.db2.gz XCKFGMVWKAKLMG-UHFFFAOYSA-N 0 3 375.433 0.518 20 0 GCADHN O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000737895290 599391501 /nfs/dbraw/zinc/39/15/01/599391501.db2.gz OEPILOPSHBHEGB-UHFFFAOYSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738020782 599493242 /nfs/dbraw/zinc/49/32/42/599493242.db2.gz ANCCNUMFFMQCHU-MRXNPFEDSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738020782 599493245 /nfs/dbraw/zinc/49/32/45/599493245.db2.gz ANCCNUMFFMQCHU-MRXNPFEDSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738020782 599493248 /nfs/dbraw/zinc/49/32/48/599493248.db2.gz ANCCNUMFFMQCHU-MRXNPFEDSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738020782 599493250 /nfs/dbraw/zinc/49/32/50/599493250.db2.gz ANCCNUMFFMQCHU-MRXNPFEDSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738055248 599515209 /nfs/dbraw/zinc/51/52/09/599515209.db2.gz WVHFRHWKMLGJPG-HNNXBMFYSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738055248 599515212 /nfs/dbraw/zinc/51/52/12/599515212.db2.gz WVHFRHWKMLGJPG-HNNXBMFYSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738055248 599515214 /nfs/dbraw/zinc/51/52/14/599515214.db2.gz WVHFRHWKMLGJPG-HNNXBMFYSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738055248 599515216 /nfs/dbraw/zinc/51/52/16/599515216.db2.gz WVHFRHWKMLGJPG-HNNXBMFYSA-N 0 3 387.444 0.158 20 0 GCADHN C[NH+](C)[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736756791 599577843 /nfs/dbraw/zinc/57/78/43/599577843.db2.gz LVQWEMZDKIWPOC-KXBFYZLASA-N 0 3 398.471 0.617 20 0 GCADHN C[NH+](C)[C@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736756790 599577919 /nfs/dbraw/zinc/57/79/19/599577919.db2.gz LVQWEMZDKIWPOC-HNAYVOBHSA-N 0 3 398.471 0.617 20 0 GCADHN C[NH+](C)[C@@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C1 ZINC000736757432 599578074 /nfs/dbraw/zinc/57/80/74/599578074.db2.gz SKTZTUBVIAWZEO-OAHLLOKOSA-N 0 3 398.471 0.614 20 0 GCADHN C[NH+](C)[C@@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000736757432 599578077 /nfs/dbraw/zinc/57/80/77/599578077.db2.gz SKTZTUBVIAWZEO-OAHLLOKOSA-N 0 3 398.471 0.614 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1-c1nn[n-]n1 ZINC000822319595 599608277 /nfs/dbraw/zinc/60/82/77/599608277.db2.gz UJASBNZYBSPQLK-CHWSQXEVSA-N 0 3 385.428 0.093 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1-c1nn[n-]n1 ZINC000822319595 599608278 /nfs/dbraw/zinc/60/82/78/599608278.db2.gz UJASBNZYBSPQLK-CHWSQXEVSA-N 0 3 385.428 0.093 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000821400583 599610000 /nfs/dbraw/zinc/61/00/00/599610000.db2.gz LVCFLJVCVKGUSS-YPMHNXCESA-N 0 3 387.444 0.803 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000821400583 599610003 /nfs/dbraw/zinc/61/00/03/599610003.db2.gz LVCFLJVCVKGUSS-YPMHNXCESA-N 0 3 387.444 0.803 20 0 GCADHN COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821686867 599610148 /nfs/dbraw/zinc/61/01/48/599610148.db2.gz CPCJDSMOQFLAEG-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821686867 599610150 /nfs/dbraw/zinc/61/01/50/599610150.db2.gz CPCJDSMOQFLAEG-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820127998 599659319 /nfs/dbraw/zinc/65/93/19/599659319.db2.gz MUJBYQPYDYZRFE-UHFFFAOYSA-N 0 3 386.456 0.941 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820127998 599659320 /nfs/dbraw/zinc/65/93/20/599659320.db2.gz MUJBYQPYDYZRFE-UHFFFAOYSA-N 0 3 386.456 0.941 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820995703 599673570 /nfs/dbraw/zinc/67/35/70/599673570.db2.gz WIFCMKWMSRPHED-KBPBESRZSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820995703 599673571 /nfs/dbraw/zinc/67/35/71/599673571.db2.gz WIFCMKWMSRPHED-KBPBESRZSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820995703 599673572 /nfs/dbraw/zinc/67/35/72/599673572.db2.gz WIFCMKWMSRPHED-KBPBESRZSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820995703 599673573 /nfs/dbraw/zinc/67/35/73/599673573.db2.gz WIFCMKWMSRPHED-KBPBESRZSA-N 0 3 385.476 0.942 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC[N@@H+]1C ZINC000820658219 599676144 /nfs/dbraw/zinc/67/61/44/599676144.db2.gz RCTWGHWTHQPKBP-UKRRQHHQSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC[N@H+]1C ZINC000820658219 599676145 /nfs/dbraw/zinc/67/61/45/599676145.db2.gz RCTWGHWTHQPKBP-UKRRQHHQSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC[N@@H+]1C ZINC000820658219 599676146 /nfs/dbraw/zinc/67/61/46/599676146.db2.gz RCTWGHWTHQPKBP-UKRRQHHQSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC[N@H+]1C ZINC000820658219 599676147 /nfs/dbraw/zinc/67/61/47/599676147.db2.gz RCTWGHWTHQPKBP-UKRRQHHQSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC[N@@H+]1C ZINC000820658616 599676208 /nfs/dbraw/zinc/67/62/08/599676208.db2.gz UJECUBDGZVDWIA-HIFRSBDPSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC[N@H+]1C ZINC000820658616 599676209 /nfs/dbraw/zinc/67/62/09/599676209.db2.gz UJECUBDGZVDWIA-HIFRSBDPSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC[N@@H+]1C ZINC000820658616 599676210 /nfs/dbraw/zinc/67/62/10/599676210.db2.gz UJECUBDGZVDWIA-HIFRSBDPSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC[N@H+]1C ZINC000820658616 599676211 /nfs/dbraw/zinc/67/62/11/599676211.db2.gz UJECUBDGZVDWIA-HIFRSBDPSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC[N@@H+]1C ZINC000820659493 599676320 /nfs/dbraw/zinc/67/63/20/599676320.db2.gz YDFGMLQPJRBFPF-ZIAGYGMSSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC[N@H+]1C ZINC000820659493 599676321 /nfs/dbraw/zinc/67/63/21/599676321.db2.gz YDFGMLQPJRBFPF-ZIAGYGMSSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC[N@@H+]1C ZINC000820659493 599676322 /nfs/dbraw/zinc/67/63/22/599676322.db2.gz YDFGMLQPJRBFPF-ZIAGYGMSSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC[N@H+]1C ZINC000820659493 599676323 /nfs/dbraw/zinc/67/63/23/599676323.db2.gz YDFGMLQPJRBFPF-ZIAGYGMSSA-N 0 3 385.476 0.576 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1-c1nnn[n-]1 ZINC000820155935 607433740 /nfs/dbraw/zinc/43/37/40/607433740.db2.gz WXTLOMOZYMTSRF-UHFFFAOYSA-N 0 3 387.444 0.803 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1-c1nn[n-]n1 ZINC000820155935 607433742 /nfs/dbraw/zinc/43/37/42/607433742.db2.gz WXTLOMOZYMTSRF-UHFFFAOYSA-N 0 3 387.444 0.803 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc1-c1nnn[n-]1 ZINC000820154862 607433753 /nfs/dbraw/zinc/43/37/53/607433753.db2.gz ANWSJVMVGJWANT-NSHDSACASA-N 0 3 375.433 0.659 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc1-c1nn[n-]n1 ZINC000820154862 607433755 /nfs/dbraw/zinc/43/37/55/607433755.db2.gz ANWSJVMVGJWANT-NSHDSACASA-N 0 3 375.433 0.659 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1-c1nnn[n-]1 ZINC000820155485 607436032 /nfs/dbraw/zinc/43/60/32/607436032.db2.gz QRMANPMVSCGWMK-CYBMUJFWSA-N 0 3 387.444 0.755 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1-c1nn[n-]n1 ZINC000820155485 607436033 /nfs/dbraw/zinc/43/60/33/607436033.db2.gz QRMANPMVSCGWMK-CYBMUJFWSA-N 0 3 387.444 0.755 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821655795 607443118 /nfs/dbraw/zinc/44/31/18/607443118.db2.gz RSOVLHKNUIIDNH-DHMWGJHJSA-N 0 3 386.460 0.911 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821655795 607443119 /nfs/dbraw/zinc/44/31/19/607443119.db2.gz RSOVLHKNUIIDNH-DHMWGJHJSA-N 0 3 386.460 0.911 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821655798 607443305 /nfs/dbraw/zinc/44/33/05/607443305.db2.gz RSOVLHKNUIIDNH-VIRABCJISA-N 0 3 386.460 0.911 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821655798 607443307 /nfs/dbraw/zinc/44/33/07/607443307.db2.gz RSOVLHKNUIIDNH-VIRABCJISA-N 0 3 386.460 0.911 20 0 GCADHN Cc1cnc(CN(C)[C@@H]2CC[N@H+](C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)o1 ZINC000822388916 607445468 /nfs/dbraw/zinc/44/54/68/607445468.db2.gz GEPLQLDVHPXGKH-UONOGXRCSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@@H]2CC[N@@H+](C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)o1 ZINC000822388916 607445469 /nfs/dbraw/zinc/44/54/69/607445469.db2.gz GEPLQLDVHPXGKH-UONOGXRCSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@@H]2CC[N@H+](C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)o1 ZINC000822388916 607445470 /nfs/dbraw/zinc/44/54/70/607445470.db2.gz GEPLQLDVHPXGKH-UONOGXRCSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@@H]2CC[N@@H+](C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)o1 ZINC000822388916 607445471 /nfs/dbraw/zinc/44/54/71/607445471.db2.gz GEPLQLDVHPXGKH-UONOGXRCSA-N 0 3 398.475 0.608 20 0 GCADHN C[NH+](C)C[C@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000821584385 607449066 /nfs/dbraw/zinc/44/90/66/607449066.db2.gz BCRWXERHCBPSSN-LBPRGKRZSA-N 0 3 379.852 0.721 20 0 GCADHN CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000819914543 607495782 /nfs/dbraw/zinc/49/57/82/607495782.db2.gz WFJFDJDHWAXNEU-LLVKDONJSA-N 0 3 375.481 0.635 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCCN1CC(F)(F)F ZINC000823510875 607497098 /nfs/dbraw/zinc/49/70/98/607497098.db2.gz BNSLJLOVXGAYGD-ONGXEEELSA-N 0 3 399.381 0.248 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825855916 607555920 /nfs/dbraw/zinc/55/59/20/607555920.db2.gz LZOAZQQTDLWXCR-VNQPRFMTSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825855916 607555921 /nfs/dbraw/zinc/55/59/21/607555921.db2.gz LZOAZQQTDLWXCR-VNQPRFMTSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825855915 607556082 /nfs/dbraw/zinc/55/60/82/607556082.db2.gz LZOAZQQTDLWXCR-KBMXLJTQSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825855915 607556084 /nfs/dbraw/zinc/55/60/84/607556084.db2.gz LZOAZQQTDLWXCR-KBMXLJTQSA-N 0 3 392.485 0.739 20 0 GCADHN O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1-c1nnn[n-]1 ZINC000826490490 607611280 /nfs/dbraw/zinc/61/12/80/607611280.db2.gz XFJYKFJOBUYPFA-UHFFFAOYSA-N 0 3 392.485 0.790 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825849791 607615224 /nfs/dbraw/zinc/61/52/24/607615224.db2.gz MSSIAYYDCJPXPT-FRFSOERESA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825849791 607615225 /nfs/dbraw/zinc/61/52/25/607615225.db2.gz MSSIAYYDCJPXPT-FRFSOERESA-N 0 3 386.456 0.956 20 0 GCADHN Cc1cccc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)c1-c1nnn[n-]1 ZINC000826303043 607617390 /nfs/dbraw/zinc/61/73/90/607617390.db2.gz YPKIFIDZORHUTN-UHFFFAOYSA-N 0 3 380.474 0.564 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826491046 607634347 /nfs/dbraw/zinc/63/43/47/607634347.db2.gz RKSJCLRYOUMQQQ-CYBMUJFWSA-N 0 3 398.464 0.521 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826491046 607634349 /nfs/dbraw/zinc/63/43/49/607634349.db2.gz RKSJCLRYOUMQQQ-CYBMUJFWSA-N 0 3 398.464 0.521 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825870597 607645470 /nfs/dbraw/zinc/64/54/70/607645470.db2.gz UHNIASCMQDPZBW-UHFFFAOYSA-N 0 3 398.464 0.737 20 0 GCADHN C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000825856587 607662464 /nfs/dbraw/zinc/66/24/64/607662464.db2.gz XTZAIIKZLGUHRV-UHFFFAOYSA-N 0 3 379.490 0.171 20 0 GCADHN C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000825856587 607662465 /nfs/dbraw/zinc/66/24/65/607662465.db2.gz XTZAIIKZLGUHRV-UHFFFAOYSA-N 0 3 379.490 0.171 20 0 GCADHN O=S(=O)(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000826484636 607753104 /nfs/dbraw/zinc/75/31/04/607753104.db2.gz KBSLUEJIAXHSRI-SECBINFHSA-N 0 3 385.496 0.914 20 0 GCADHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824261159 607768341 /nfs/dbraw/zinc/76/83/41/607768341.db2.gz COPKPCZSDKWJGB-MRXNPFEDSA-N 0 3 385.472 0.833 20 0 GCADHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824261159 607768342 /nfs/dbraw/zinc/76/83/42/607768342.db2.gz COPKPCZSDKWJGB-MRXNPFEDSA-N 0 3 385.472 0.833 20 0 GCADHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824261159 607768343 /nfs/dbraw/zinc/76/83/43/607768343.db2.gz COPKPCZSDKWJGB-MRXNPFEDSA-N 0 3 385.472 0.833 20 0 GCADHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824261159 607768344 /nfs/dbraw/zinc/76/83/44/607768344.db2.gz COPKPCZSDKWJGB-MRXNPFEDSA-N 0 3 385.472 0.833 20 0 GCADHN Cn1ccnc1N1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822698807 606067438 /nfs/dbraw/zinc/06/74/38/606067438.db2.gz GDCVJGIXJVBKAU-UHFFFAOYSA-N 0 3 381.444 0.751 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821189744 606144674 /nfs/dbraw/zinc/14/46/74/606144674.db2.gz RXNXEYCAULMAFU-HNNXBMFYSA-N 0 3 394.501 0.988 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821189744 606144676 /nfs/dbraw/zinc/14/46/76/606144676.db2.gz RXNXEYCAULMAFU-HNNXBMFYSA-N 0 3 394.501 0.988 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(C2CCOCC2)CC1 ZINC000821650819 606178582 /nfs/dbraw/zinc/17/85/82/606178582.db2.gz ZHSKTQCMRZREGR-QGZVFWFLSA-N 0 3 386.456 0.877 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000821651491 606320849 /nfs/dbraw/zinc/32/08/49/606320849.db2.gz AFMNJYGSZFXKQK-CXAGYDPISA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000821651491 606320850 /nfs/dbraw/zinc/32/08/50/606320850.db2.gz AFMNJYGSZFXKQK-CXAGYDPISA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000821651491 606320851 /nfs/dbraw/zinc/32/08/51/606320851.db2.gz AFMNJYGSZFXKQK-CXAGYDPISA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000821651491 606320852 /nfs/dbraw/zinc/32/08/52/606320852.db2.gz AFMNJYGSZFXKQK-CXAGYDPISA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000821651703 606323403 /nfs/dbraw/zinc/32/34/03/606323403.db2.gz DXRNDXWMGCMXNY-KRWDZBQOSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000821651703 606323405 /nfs/dbraw/zinc/32/34/05/606323405.db2.gz DXRNDXWMGCMXNY-KRWDZBQOSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000821651703 606323406 /nfs/dbraw/zinc/32/34/06/606323406.db2.gz DXRNDXWMGCMXNY-KRWDZBQOSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000821651703 606323408 /nfs/dbraw/zinc/32/34/08/606323408.db2.gz DXRNDXWMGCMXNY-KRWDZBQOSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000821651704 606323414 /nfs/dbraw/zinc/32/34/14/606323414.db2.gz DXRNDXWMGCMXNY-QGZVFWFLSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000821651704 606323417 /nfs/dbraw/zinc/32/34/17/606323417.db2.gz DXRNDXWMGCMXNY-QGZVFWFLSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000821651704 606323419 /nfs/dbraw/zinc/32/34/19/606323419.db2.gz DXRNDXWMGCMXNY-QGZVFWFLSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000821651704 606323420 /nfs/dbraw/zinc/32/34/20/606323420.db2.gz DXRNDXWMGCMXNY-QGZVFWFLSA-N 0 3 388.472 0.859 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000820753087 606333654 /nfs/dbraw/zinc/33/36/54/606333654.db2.gz WFADAPLRBPTBCS-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000820753087 606333655 /nfs/dbraw/zinc/33/36/55/606333655.db2.gz WFADAPLRBPTBCS-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000820753087 606333656 /nfs/dbraw/zinc/33/36/56/606333656.db2.gz WFADAPLRBPTBCS-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000820753087 606333657 /nfs/dbraw/zinc/33/36/57/606333657.db2.gz WFADAPLRBPTBCS-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@H]1N1CCOCC1 ZINC000820752888 606333725 /nfs/dbraw/zinc/33/37/25/606333725.db2.gz TXGVDBZUXCWIOH-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@H]1N1CCOCC1 ZINC000820752888 606333727 /nfs/dbraw/zinc/33/37/27/606333727.db2.gz TXGVDBZUXCWIOH-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820752888 606333728 /nfs/dbraw/zinc/33/37/28/606333728.db2.gz TXGVDBZUXCWIOH-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820752888 606333730 /nfs/dbraw/zinc/33/37/30/606333730.db2.gz TXGVDBZUXCWIOH-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN C[N@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)CN1CCOCC1 ZINC000821600463 606336703 /nfs/dbraw/zinc/33/67/03/606336703.db2.gz NMIVHGKNQPDROA-INIZCTEOSA-N 0 3 376.461 0.261 20 0 GCADHN C[N@@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)C[C@H](O)CN1CCOCC1 ZINC000821600463 606336704 /nfs/dbraw/zinc/33/67/04/606336704.db2.gz NMIVHGKNQPDROA-INIZCTEOSA-N 0 3 376.461 0.261 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000820542684 606365617 /nfs/dbraw/zinc/36/56/17/606365617.db2.gz QGOQMSXJLOYBGW-AWEZNQCLSA-N 0 3 387.488 0.776 20 0 GCADHN C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000820542684 606365619 /nfs/dbraw/zinc/36/56/19/606365619.db2.gz QGOQMSXJLOYBGW-AWEZNQCLSA-N 0 3 387.488 0.776 20 0 GCADHN C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000820525174 606365950 /nfs/dbraw/zinc/36/59/50/606365950.db2.gz DOSFSTPSMCXSQC-CQSZACIVSA-N 0 3 387.488 0.776 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821180460 606404265 /nfs/dbraw/zinc/40/42/65/606404265.db2.gz CTRQILQVNUDKGO-GFCCVEGCSA-N 0 3 375.408 0.887 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821180460 606404266 /nfs/dbraw/zinc/40/42/66/606404266.db2.gz CTRQILQVNUDKGO-GFCCVEGCSA-N 0 3 375.408 0.887 20 0 GCADHN C[NH+](C)C1CCN(CCNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821583500 606404755 /nfs/dbraw/zinc/40/47/55/606404755.db2.gz XVKOSTBOMWKINW-UHFFFAOYSA-N 0 3 379.490 0.171 20 0 GCADHN C[NH+](C)C1CCN(CCNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821583500 606404756 /nfs/dbraw/zinc/40/47/56/606404756.db2.gz XVKOSTBOMWKINW-UHFFFAOYSA-N 0 3 379.490 0.171 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821575764 606556704 /nfs/dbraw/zinc/55/67/04/606556704.db2.gz OSFXSYHENVQYFE-UHFFFAOYSA-N 0 3 385.472 0.468 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820995595 606600133 /nfs/dbraw/zinc/60/01/33/606600133.db2.gz UQDJHVMJTDONQK-CVEARBPZSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820995595 606600134 /nfs/dbraw/zinc/60/01/34/606600134.db2.gz UQDJHVMJTDONQK-CVEARBPZSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820995595 606600135 /nfs/dbraw/zinc/60/01/35/606600135.db2.gz UQDJHVMJTDONQK-CVEARBPZSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820995595 606600136 /nfs/dbraw/zinc/60/01/36/606600136.db2.gz UQDJHVMJTDONQK-CVEARBPZSA-N 0 3 383.456 0.682 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000821581048 606603616 /nfs/dbraw/zinc/60/36/16/606603616.db2.gz BGUURWNNUVMLAJ-CVEARBPZSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821581048 606603617 /nfs/dbraw/zinc/60/36/17/606603617.db2.gz BGUURWNNUVMLAJ-CVEARBPZSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000821581873 606603675 /nfs/dbraw/zinc/60/36/75/606603675.db2.gz WXXVUHZXUGBDKH-HOTGVXAUSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821581873 606603677 /nfs/dbraw/zinc/60/36/77/606603677.db2.gz WXXVUHZXUGBDKH-HOTGVXAUSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821581188 606603756 /nfs/dbraw/zinc/60/37/56/606603756.db2.gz FFKPYWOFDRHOQE-GJZGRUSLSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821581188 606603759 /nfs/dbraw/zinc/60/37/59/606603759.db2.gz FFKPYWOFDRHOQE-GJZGRUSLSA-N 0 3 399.503 0.966 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000821400353 606609717 /nfs/dbraw/zinc/60/97/17/606609717.db2.gz HZBGBSIKRFPQQX-ZDUSSCGKSA-N 0 3 387.444 0.757 20 0 GCADHN CCN1CCN(CC(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000821266456 606628832 /nfs/dbraw/zinc/62/88/32/606628832.db2.gz DFYSPSVVANHVSX-UHFFFAOYSA-N 0 3 398.515 0.148 20 0 GCADHN O=c1[nH]c2ccccc2n1CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000823656757 606630824 /nfs/dbraw/zinc/63/08/24/606630824.db2.gz GZLCHLTUCTZVCV-LLVKDONJSA-N 0 3 380.416 0.450 20 0 GCADHN O=c1[nH]c2ccccc2n1CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000823656757 606630826 /nfs/dbraw/zinc/63/08/26/606630826.db2.gz GZLCHLTUCTZVCV-LLVKDONJSA-N 0 3 380.416 0.450 20 0 GCADHN O=C(C[NH2+]C1(CO)CCCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823005351 606661026 /nfs/dbraw/zinc/66/10/26/606661026.db2.gz NJBLLKWLMZBYAO-UHFFFAOYSA-N 0 3 382.428 0.886 20 0 GCADHN Clc1cccnc1OCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000822591510 606740941 /nfs/dbraw/zinc/74/09/41/606740941.db2.gz TXVCPXLMLKGZLY-JTQLQIEISA-N 0 3 375.824 0.822 20 0 GCADHN Clc1cccnc1OCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000822591510 606740943 /nfs/dbraw/zinc/74/09/43/606740943.db2.gz TXVCPXLMLKGZLY-JTQLQIEISA-N 0 3 375.824 0.822 20 0 GCADHN COC(=O)CC1([NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000821659016 606761812 /nfs/dbraw/zinc/76/18/12/606761812.db2.gz OXSXDYHTMUKYQZ-AWEZNQCLSA-N 0 3 391.428 0.308 20 0 GCADHN C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C[C@H]1[NH+](C)C ZINC000820761007 606769196 /nfs/dbraw/zinc/76/91/96/606769196.db2.gz VIUBOKONKKNEOS-XJKSGUPXSA-N 0 3 398.471 0.470 20 0 GCADHN C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C[C@H]1[NH+](C)C ZINC000820761007 606769197 /nfs/dbraw/zinc/76/91/97/606769197.db2.gz VIUBOKONKKNEOS-XJKSGUPXSA-N 0 3 398.471 0.470 20 0 GCADHN C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C[C@@H]1[NH+](C)C ZINC000820761000 606769211 /nfs/dbraw/zinc/76/92/11/606769211.db2.gz VIUBOKONKKNEOS-BBRMVZONSA-N 0 3 398.471 0.470 20 0 GCADHN C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C[C@@H]1[NH+](C)C ZINC000820761000 606769212 /nfs/dbraw/zinc/76/92/12/606769212.db2.gz VIUBOKONKKNEOS-BBRMVZONSA-N 0 3 398.471 0.470 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000821810195 606773812 /nfs/dbraw/zinc/77/38/12/606773812.db2.gz XKIUDGPPWDANIG-OCCSQVGLSA-N 0 3 380.474 0.683 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000821810195 606773814 /nfs/dbraw/zinc/77/38/14/606773814.db2.gz XKIUDGPPWDANIG-OCCSQVGLSA-N 0 3 380.474 0.683 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000821932420 606774233 /nfs/dbraw/zinc/77/42/33/606774233.db2.gz LYSJUBWUPNXSND-BXUZGUMPSA-N 0 3 390.473 0.322 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000821932420 606774234 /nfs/dbraw/zinc/77/42/34/606774234.db2.gz LYSJUBWUPNXSND-BXUZGUMPSA-N 0 3 390.473 0.322 20 0 GCADHN O=C(COc1ccccc1-c1nnn[n-]1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000823049747 606821508 /nfs/dbraw/zinc/82/15/08/606821508.db2.gz JYBUTBNEXHECID-HNNXBMFYSA-N 0 3 386.456 0.959 20 0 GCADHN O=C(COc1ccccc1-c1nn[n-]n1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000823049747 606821510 /nfs/dbraw/zinc/82/15/10/606821510.db2.gz JYBUTBNEXHECID-HNNXBMFYSA-N 0 3 386.456 0.959 20 0 GCADHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820750309 606838476 /nfs/dbraw/zinc/83/84/76/606838476.db2.gz ARGPZXUFIWNLEB-IINYFYTJSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820750309 606838478 /nfs/dbraw/zinc/83/84/78/606838478.db2.gz ARGPZXUFIWNLEB-IINYFYTJSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820750309 606838479 /nfs/dbraw/zinc/83/84/79/606838479.db2.gz ARGPZXUFIWNLEB-IINYFYTJSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820750309 606838481 /nfs/dbraw/zinc/83/84/81/606838481.db2.gz ARGPZXUFIWNLEB-IINYFYTJSA-N 0 3 375.408 0.789 20 0 GCADHN O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000823606564 606841467 /nfs/dbraw/zinc/84/14/67/606841467.db2.gz LCYYIDUGCFKVCC-UHFFFAOYSA-N 0 3 389.416 0.912 20 0 GCADHN CNc1cc(N2CCC[C@H]2C[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC000821637711 606859415 /nfs/dbraw/zinc/85/94/15/606859415.db2.gz QMGYWBMWSCBQTD-HOTGVXAUSA-N 0 3 395.471 0.990 20 0 GCADHN CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC000821637712 606859465 /nfs/dbraw/zinc/85/94/65/606859465.db2.gz QMGYWBMWSCBQTD-HZPDHXFCSA-N 0 3 395.471 0.990 20 0 GCADHN COCc1nc2n(n1)C[C@@H]([NH2+]Cc1cnc3ccc(-c4nn[n-]n4)cn13)CC2 ZINC000821696821 606869800 /nfs/dbraw/zinc/86/98/00/606869800.db2.gz QRCSVGRTXJPKEU-LBPRGKRZSA-N 0 3 380.416 0.357 20 0 GCADHN CCOC[C@@H](O)CN1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821367448 606895518 /nfs/dbraw/zinc/89/55/18/606895518.db2.gz JXPANTGXCAWZFK-KRWDZBQOSA-N 0 3 390.488 0.651 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)C2 ZINC000823821383 606922046 /nfs/dbraw/zinc/92/20/46/606922046.db2.gz TWJRTANYLQVQKY-NUEKZKHPSA-N 0 3 387.492 0.338 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)C2 ZINC000823821383 606922048 /nfs/dbraw/zinc/92/20/48/606922048.db2.gz TWJRTANYLQVQKY-NUEKZKHPSA-N 0 3 387.492 0.338 20 0 GCADHN CCc1nnc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821529782 606935532 /nfs/dbraw/zinc/93/55/32/606935532.db2.gz ZLAOTVCPNMUFAE-AWEZNQCLSA-N 0 3 385.520 0.998 20 0 GCADHN CCc1nnc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821529782 606935534 /nfs/dbraw/zinc/93/55/34/606935534.db2.gz ZLAOTVCPNMUFAE-AWEZNQCLSA-N 0 3 385.520 0.998 20 0 GCADHN CCc1nnc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821529782 606935536 /nfs/dbraw/zinc/93/55/36/606935536.db2.gz ZLAOTVCPNMUFAE-AWEZNQCLSA-N 0 3 385.520 0.998 20 0 GCADHN CCc1nnc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821529782 606935538 /nfs/dbraw/zinc/93/55/38/606935538.db2.gz ZLAOTVCPNMUFAE-AWEZNQCLSA-N 0 3 385.520 0.998 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CC[C@H]1COc3ccccc3O1)C2 ZINC000823801955 607008442 /nfs/dbraw/zinc/00/84/42/607008442.db2.gz DLCJHOSYTOUEMC-OLZOCXBDSA-N 0 3 382.428 0.925 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CC[C@H]1COc3ccccc3O1)C2 ZINC000823801955 607008444 /nfs/dbraw/zinc/00/84/44/607008444.db2.gz DLCJHOSYTOUEMC-OLZOCXBDSA-N 0 3 382.428 0.925 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CC[C@@H]1COc3ccccc3O1)C2 ZINC000823801954 607008679 /nfs/dbraw/zinc/00/86/79/607008679.db2.gz DLCJHOSYTOUEMC-CHWSQXEVSA-N 0 3 382.428 0.925 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CC[C@@H]1COc3ccccc3O1)C2 ZINC000823801954 607008681 /nfs/dbraw/zinc/00/86/81/607008681.db2.gz DLCJHOSYTOUEMC-CHWSQXEVSA-N 0 3 382.428 0.925 20 0 GCADHN C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820750522 607063870 /nfs/dbraw/zinc/06/38/70/607063870.db2.gz BJOBUTWXSMJNFE-RHSMWYFYSA-N 0 3 389.479 0.843 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625589 607095244 /nfs/dbraw/zinc/09/52/44/607095244.db2.gz RHAXILWBSRYVRP-IAQYHMDHSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625589 607095246 /nfs/dbraw/zinc/09/52/46/607095246.db2.gz RHAXILWBSRYVRP-IAQYHMDHSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625589 607095248 /nfs/dbraw/zinc/09/52/48/607095248.db2.gz RHAXILWBSRYVRP-IAQYHMDHSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625589 607095250 /nfs/dbraw/zinc/09/52/50/607095250.db2.gz RHAXILWBSRYVRP-IAQYHMDHSA-N 0 3 387.419 0.887 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821350690 607159606 /nfs/dbraw/zinc/15/96/06/607159606.db2.gz BKPIIHPSMFPXFT-HNNXBMFYSA-N 0 3 389.460 0.070 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821350690 607159608 /nfs/dbraw/zinc/15/96/08/607159608.db2.gz BKPIIHPSMFPXFT-HNNXBMFYSA-N 0 3 389.460 0.070 20 0 GCADHN CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000821587465 607180998 /nfs/dbraw/zinc/18/09/98/607180998.db2.gz YVOAKKKNIMMAPN-UHFFFAOYSA-N 0 3 397.443 0.222 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821583181 607181776 /nfs/dbraw/zinc/18/17/76/607181776.db2.gz LIZJLJZHTHVKPP-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821583181 607181777 /nfs/dbraw/zinc/18/17/77/607181777.db2.gz LIZJLJZHTHVKPP-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN CC[C@H]1CN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC[N@@H+]1C[C@H](C)O ZINC000825211370 607922448 /nfs/dbraw/zinc/92/24/48/607922448.db2.gz MKHRNCRAWDAWQD-ZFWWWQNUSA-N 0 3 388.472 0.930 20 0 GCADHN CC[C@H]1CN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC[N@H+]1C[C@H](C)O ZINC000825211370 607922449 /nfs/dbraw/zinc/92/24/49/607922449.db2.gz MKHRNCRAWDAWQD-ZFWWWQNUSA-N 0 3 388.472 0.930 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000824745385 607998959 /nfs/dbraw/zinc/99/89/59/607998959.db2.gz RKZMBGFHEJIFMQ-CQSZACIVSA-N 0 3 388.472 0.939 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000824745385 607998960 /nfs/dbraw/zinc/99/89/60/607998960.db2.gz RKZMBGFHEJIFMQ-CQSZACIVSA-N 0 3 388.472 0.939 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000824745385 607998961 /nfs/dbraw/zinc/99/89/61/607998961.db2.gz RKZMBGFHEJIFMQ-CQSZACIVSA-N 0 3 388.472 0.939 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000824745385 607998962 /nfs/dbraw/zinc/99/89/62/607998962.db2.gz RKZMBGFHEJIFMQ-CQSZACIVSA-N 0 3 388.472 0.939 20 0 GCADHN CC(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCC[NH+](C)C ZINC000824274508 608005938 /nfs/dbraw/zinc/00/59/38/608005938.db2.gz JANNFWARWVSOIZ-NSHDSACASA-N 0 3 379.490 0.751 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccoc3)[nH]n2)c1-c1nnn[n-]1 ZINC000826077695 608019706 /nfs/dbraw/zinc/01/97/06/608019706.db2.gz QYQNRUBQMTUQCZ-UHFFFAOYSA-N 0 3 382.388 0.977 20 0 GCADHN CN(Cc1ccccc1)C[C@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825934678 608035783 /nfs/dbraw/zinc/03/57/83/608035783.db2.gz PRVXEIDPJMEEHM-OAHLLOKOSA-N 0 3 399.503 0.529 20 0 GCADHN CN(Cc1ccccc1)C[C@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825934678 608035784 /nfs/dbraw/zinc/03/57/84/608035784.db2.gz PRVXEIDPJMEEHM-OAHLLOKOSA-N 0 3 399.503 0.529 20 0 GCADHN C[NH+](C)CCOc1cc(CNC(=O)COc2ccccc2-c2nnn[n-]2)ccn1 ZINC000825870417 608103251 /nfs/dbraw/zinc/10/32/51/608103251.db2.gz LRRKSEIHVMSVDE-UHFFFAOYSA-N 0 3 397.439 0.897 20 0 GCADHN C[NH+](C)CCOc1cc(CNC(=O)COc2ccccc2-c2nn[n-]n2)ccn1 ZINC000825870417 608103252 /nfs/dbraw/zinc/10/32/52/608103252.db2.gz LRRKSEIHVMSVDE-UHFFFAOYSA-N 0 3 397.439 0.897 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)CN(C)[C@@H]2CCSC2)c1-c1nnn[n-]1 ZINC000826077743 608113918 /nfs/dbraw/zinc/11/39/18/608113918.db2.gz STCQWTMYUYACJU-SNVBAGLBSA-N 0 3 379.494 0.118 20 0 GCADHN O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826479269 608170158 /nfs/dbraw/zinc/17/01/58/608170158.db2.gz VAYXRZNSZXTDMZ-HZPDHXFCSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826479269 608170160 /nfs/dbraw/zinc/17/01/60/608170160.db2.gz VAYXRZNSZXTDMZ-HZPDHXFCSA-N 0 3 383.456 0.474 20 0 GCADHN COc1cc(-c2nn[nH]n2)ccc1CN1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000826169707 608359269 /nfs/dbraw/zinc/35/92/69/608359269.db2.gz BJMZGGSKYMQLEH-QGZVFWFLSA-N 0 3 387.488 0.324 20 0 GCADHN CC(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000824261114 608569086 /nfs/dbraw/zinc/56/90/86/608569086.db2.gz ARJFROMBROHYIL-UHFFFAOYSA-N 0 3 383.456 0.922 20 0 GCADHN CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000824261114 608569088 /nfs/dbraw/zinc/56/90/88/608569088.db2.gz ARJFROMBROHYIL-UHFFFAOYSA-N 0 3 383.456 0.922 20 0 GCADHN CC(C)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000824261114 608569089 /nfs/dbraw/zinc/56/90/89/608569089.db2.gz ARJFROMBROHYIL-UHFFFAOYSA-N 0 3 383.456 0.922 20 0 GCADHN CC(C)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000824261114 608569091 /nfs/dbraw/zinc/56/90/91/608569091.db2.gz ARJFROMBROHYIL-UHFFFAOYSA-N 0 3 383.456 0.922 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826160075 608620797 /nfs/dbraw/zinc/62/07/97/608620797.db2.gz DOQWVOBCQLQSOL-DZGCQCFKSA-N 0 3 398.471 0.878 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826160075 608620800 /nfs/dbraw/zinc/62/08/00/608620800.db2.gz DOQWVOBCQLQSOL-DZGCQCFKSA-N 0 3 398.471 0.878 20 0 GCADHN C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824592443 609140948 /nfs/dbraw/zinc/14/09/48/609140948.db2.gz NCZZBZBBKDEVSB-GFCCVEGCSA-N 0 3 397.480 0.234 20 0 GCADHN C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824592443 609140950 /nfs/dbraw/zinc/14/09/50/609140950.db2.gz NCZZBZBBKDEVSB-GFCCVEGCSA-N 0 3 397.480 0.234 20 0 GCADHN CN1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826034463 609203095 /nfs/dbraw/zinc/20/30/95/609203095.db2.gz RKQOFPCVQJFVQY-MRXNPFEDSA-N 0 3 398.471 0.709 20 0 GCADHN O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431330 609230160 /nfs/dbraw/zinc/23/01/60/609230160.db2.gz YMYFZCVTAWGIJM-IAGOWNOFSA-N 0 3 386.456 0.660 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826028952 609231345 /nfs/dbraw/zinc/23/13/45/609231345.db2.gz LCQNHANJIWISDN-IRXDYDNUSA-N 0 3 385.472 0.139 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826028952 609231346 /nfs/dbraw/zinc/23/13/46/609231346.db2.gz LCQNHANJIWISDN-IRXDYDNUSA-N 0 3 385.472 0.139 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825412460 609242589 /nfs/dbraw/zinc/24/25/89/609242589.db2.gz PKPFDCIZJOVHOY-IAGOWNOFSA-N 0 3 388.472 0.859 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825412460 609242591 /nfs/dbraw/zinc/24/25/91/609242591.db2.gz PKPFDCIZJOVHOY-IAGOWNOFSA-N 0 3 388.472 0.859 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824705822 609243768 /nfs/dbraw/zinc/24/37/68/609243768.db2.gz FIDNYLGSIAUPAM-SUMWQHHRSA-N 0 3 388.472 0.451 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824705822 609243770 /nfs/dbraw/zinc/24/37/70/609243770.db2.gz FIDNYLGSIAUPAM-SUMWQHHRSA-N 0 3 388.472 0.451 20 0 GCADHN CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825452451 609300419 /nfs/dbraw/zinc/30/04/19/609300419.db2.gz OPTXXNMXBKQFOR-NSHDSACASA-N 0 3 376.469 0.230 20 0 GCADHN CC[N@H+]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825452451 609300420 /nfs/dbraw/zinc/30/04/20/609300420.db2.gz OPTXXNMXBKQFOR-NSHDSACASA-N 0 3 376.469 0.230 20 0 GCADHN C[C@@H](NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000824488208 609316633 /nfs/dbraw/zinc/31/66/33/609316633.db2.gz DJWRANMLUNLEAT-CQSZACIVSA-N 0 3 397.487 0.744 20 0 GCADHN C[C@@H](NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000824488208 609316634 /nfs/dbraw/zinc/31/66/34/609316634.db2.gz DJWRANMLUNLEAT-CQSZACIVSA-N 0 3 397.487 0.744 20 0 GCADHN Cn1cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361504 609336224 /nfs/dbraw/zinc/33/62/24/609336224.db2.gz ZSVRYABJDFHDFJ-LBPRGKRZSA-N 0 3 387.469 0.792 20 0 GCADHN C[N@H+](CCO)C1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825941425 609393364 /nfs/dbraw/zinc/39/33/64/609393364.db2.gz IFIMRFGFSCWJOJ-UHFFFAOYSA-N 0 3 388.472 0.939 20 0 GCADHN C[N@@H+](CCO)C1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825941425 609393367 /nfs/dbraw/zinc/39/33/67/609393367.db2.gz IFIMRFGFSCWJOJ-UHFFFAOYSA-N 0 3 388.472 0.939 20 0 GCADHN O=C1[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476530 609415739 /nfs/dbraw/zinc/41/57/39/609415739.db2.gz JUZGNILCEQVENK-HIFRSBDPSA-N 0 3 379.428 0.558 20 0 GCADHN CN1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826028958 609608184 /nfs/dbraw/zinc/60/81/84/609608184.db2.gz LDJZBDPZLWBKSF-GDBMZVCRSA-N 0 3 398.471 0.756 20 0 GCADHN CN1CCC2(CC1)CN(S(=O)(=O)c1nc[nH]c1Br)CCO2 ZINC000867453250 638431931 /nfs/dbraw/zinc/43/19/31/638431931.db2.gz OGLONKPBHXRKAT-UHFFFAOYSA-N 0 3 379.280 0.658 20 0 GCADHN CCOC(=O)c1ncc(Br)c(NCCN2CCN(CC)CC2)n1 ZINC000891757397 638510261 /nfs/dbraw/zinc/51/02/61/638510261.db2.gz QBDTYMRDMORIOL-UHFFFAOYSA-N 0 3 386.294 0.887 20 0 GCADHN C[NH+]1CCC(OCC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000935039220 638561116 /nfs/dbraw/zinc/56/11/16/638561116.db2.gz CEMATFCHQQEPHR-UHFFFAOYSA-N 0 3 395.934 0.907 20 0 GCADHN O=S(=O)([N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2nonc21 ZINC000261698839 638590103 /nfs/dbraw/zinc/59/01/03/638590103.db2.gz HYMHFOJTBSYGKF-LLVKDONJSA-N 0 3 379.364 0.337 20 0 GCADHN COCCN(C)CCNC(=O)N1CCC(CN=[S@@](C)(=O)N(C)C)CC1 ZINC000892686466 638593272 /nfs/dbraw/zinc/59/32/72/638593272.db2.gz AJWYDAPJNCNFHA-RUZDIDTESA-N 0 3 377.555 0.561 20 0 GCADHN COCCN(C)CCNC(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000892686467 638593455 /nfs/dbraw/zinc/59/34/55/638593455.db2.gz AJWYDAPJNCNFHA-VWLOTQADSA-N 0 3 377.555 0.561 20 0 GCADHN CN(C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1CCCN(C)C1 ZINC000892951363 638604981 /nfs/dbraw/zinc/60/49/81/638604981.db2.gz SZLQPOCQQPEKOW-CYBMUJFWSA-N 0 3 382.477 0.986 20 0 GCADHN C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000261669728 638650970 /nfs/dbraw/zinc/65/09/70/638650970.db2.gz GPIWFVBUDHAXES-SECBINFHSA-N 0 3 389.421 0.413 20 0 GCADHN COCCN(C)CCNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F ZINC000067274587 638668519 /nfs/dbraw/zinc/66/85/19/638668519.db2.gz WKPVTFZKKZVACF-UHFFFAOYSA-N 0 3 375.466 0.820 20 0 GCADHN CS(=O)(=O)C1CC(NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000894252076 638687120 /nfs/dbraw/zinc/68/71/20/638687120.db2.gz UMSDNNIDJLQTPP-UHFFFAOYSA-N 0 3 384.882 0.923 20 0 GCADHN COC(=O)[C@@H]1[C@@H](CNCCNS(=O)(=O)c2ccc(F)cc2F)C1(F)F ZINC000894659920 638708262 /nfs/dbraw/zinc/70/82/62/638708262.db2.gz FJGDBIRJVVEYAB-SKDRFNHKSA-N 0 3 384.351 0.887 20 0 GCADHN Cn1ncc(I)c1CN[C@H]1CCCN(CCCO)C1 ZINC000894872410 638715178 /nfs/dbraw/zinc/71/51/78/638715178.db2.gz ATCPPYIYMUNKDI-NSHDSACASA-N 0 3 378.258 0.961 20 0 GCADHN Cn1cc(CNC[C@H]2CCCCN2CCO)c(I)n1 ZINC000894873002 638715325 /nfs/dbraw/zinc/71/53/25/638715325.db2.gz DJABOZYLQDJDJP-GFCCVEGCSA-N 0 3 378.258 0.961 20 0 GCADHN Cn1cc(CN[C@@H]2CCCN(CCCO)C2)c(I)n1 ZINC000894875190 638715371 /nfs/dbraw/zinc/71/53/71/638715371.db2.gz XGFZKZBLFRAGDA-GFCCVEGCSA-N 0 3 378.258 0.961 20 0 GCADHN COCCN(C)CCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000726977409 638722774 /nfs/dbraw/zinc/72/27/74/638722774.db2.gz URMIKGZJTWMYNU-ZDUSSCGKSA-N 0 3 378.926 0.872 20 0 GCADHN Cn1cc(Br)c(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)n1 ZINC000895157574 638733811 /nfs/dbraw/zinc/73/38/11/638733811.db2.gz SLYVKHNFAATWFA-KGLIPLIRSA-N 0 3 386.294 0.923 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c(OC)c1 ZINC000262162359 638734461 /nfs/dbraw/zinc/73/44/61/638734461.db2.gz VCLUKLOWDVOMHQ-YPMHNXCESA-N 0 3 391.515 0.863 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=S)NCCNS(C)(=O)=O ZINC000727084797 638737425 /nfs/dbraw/zinc/73/74/25/638737425.db2.gz KIAYHTBNFLMAMX-UHFFFAOYSA-N 0 3 394.513 0.752 20 0 GCADHN Cn1cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c(Br)n1 ZINC000896585625 639055201 /nfs/dbraw/zinc/05/52/01/639055201.db2.gz VWQITWLAUDZFKG-OLZOCXBDSA-N 0 3 386.294 0.923 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(Br)n1 ZINC000897021669 639078929 /nfs/dbraw/zinc/07/89/29/639078929.db2.gz HPCXSCKQNPFSQF-LBPRGKRZSA-N 0 3 384.278 0.561 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)NCCS(=O)(=O)N2CCSCC2)C1(C)C ZINC000262780137 639138669 /nfs/dbraw/zinc/13/86/69/639138669.db2.gz KRXTVAJSJAEDPD-SWLSCSKDSA-N 0 3 379.548 0.014 20 0 GCADHN Cn1cc(CN2CCN(C)CCN(C)CC2)c(I)n1 ZINC000897859668 639212601 /nfs/dbraw/zinc/21/26/01/639212601.db2.gz JZXFVOHEYIAPCU-UHFFFAOYSA-N 0 3 377.274 0.704 20 0 GCADHN COCCN(CCOC)C1CN(C(=O)c2n[nH]c(C)c2Br)C1 ZINC000898254009 639222758 /nfs/dbraw/zinc/22/27/58/639222758.db2.gz AVZXFXKMMNORMC-UHFFFAOYSA-N 0 3 375.267 0.900 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H]2CCCC[NH2+]C2)c1I ZINC000866768109 639231272 /nfs/dbraw/zinc/23/12/72/639231272.db2.gz ONPCVJKVDUELCM-QMMMGPOBSA-N 0 3 384.243 0.445 20 0 GCADHN CC(C)(O)CN1CC[C@H](NC(=O)c2c[nH]nc2I)C1 ZINC000899152832 639255495 /nfs/dbraw/zinc/25/54/95/639255495.db2.gz DCHRIGMCBYUNKN-QMMMGPOBSA-N 0 3 378.214 0.589 20 0 GCADHN CS(=O)(=O)C[C@H](O)CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000899573349 639263856 /nfs/dbraw/zinc/26/38/56/639263856.db2.gz WHVZHEXLANMHAI-MRXNPFEDSA-N 0 3 385.555 0.521 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN(C)CCO)C2)s1 ZINC000899729239 639272437 /nfs/dbraw/zinc/27/24/37/639272437.db2.gz APDHSZHGRSKYDB-AWEZNQCLSA-N 0 3 389.543 0.498 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN(C)CCO)s1 ZINC000899729503 639273860 /nfs/dbraw/zinc/27/38/60/639273860.db2.gz ITHYHBYGGAZPFY-ZDUSSCGKSA-N 0 3 375.516 0.250 20 0 GCADHN CC(C)n1ncc(C(=O)NCCN(C)CCO)c1I ZINC000899741543 639274597 /nfs/dbraw/zinc/27/45/97/639274597.db2.gz HGSPGQZWLHHZQF-UHFFFAOYSA-N 0 3 380.230 0.723 20 0 GCADHN CN(CCO)CCNC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000899734115 639274916 /nfs/dbraw/zinc/27/49/16/639274916.db2.gz VLXHOVOGVQQWBJ-UHFFFAOYSA-N 0 3 382.404 0.605 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C1 ZINC000907237840 639368306 /nfs/dbraw/zinc/36/83/06/639368306.db2.gz JRBUDDGOMGQPGE-QMMMGPOBSA-N 0 3 394.266 0.917 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)[N-]C1CC[NH+](C2CCOCC2)CC1 ZINC000907327314 639378785 /nfs/dbraw/zinc/37/87/85/639378785.db2.gz AHDREXOVHWRPNR-UHFFFAOYSA-N 0 3 389.499 0.851 20 0 GCADHN CN(C)CCN1CCN(S(=O)(=O)c2ccc3onc(Cl)c3c2)CC1=O ZINC000867458796 639442380 /nfs/dbraw/zinc/44/23/80/639442380.db2.gz PFAWFHCZVCSZJD-UHFFFAOYSA-N 0 3 386.861 0.876 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@H](N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000924845883 639537860 /nfs/dbraw/zinc/53/78/60/639537860.db2.gz OQFMKMXKAYMAOR-UONOGXRCSA-N 0 3 377.507 0.636 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000057087953 639592352 /nfs/dbraw/zinc/59/23/52/639592352.db2.gz AHDMEIFYRAYQOJ-UHFFFAOYSA-N 0 3 376.523 0.859 20 0 GCADHN NS(=O)(=O)[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000914191614 639707630 /nfs/dbraw/zinc/70/76/30/639707630.db2.gz AUDRLAPYVCVHEX-AWEZNQCLSA-N 0 3 390.575 0.811 20 0 GCADHN O=S(=O)(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCNCC1 ZINC000923597308 639808582 /nfs/dbraw/zinc/80/85/82/639808582.db2.gz WTLTVJKMQYJBGK-MRXNPFEDSA-N 0 3 388.921 0.453 20 0 GCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000915881345 639815345 /nfs/dbraw/zinc/81/53/45/639815345.db2.gz SRWKXDHKSRQPJH-UONOGXRCSA-N 0 3 376.523 0.808 20 0 GCADHN C[C@H]1[C@@H](NC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)CCN1C ZINC000925344466 640066002 /nfs/dbraw/zinc/06/60/02/640066002.db2.gz QDCPCGRDBSYLBJ-WHOHXGKFSA-N 0 3 386.440 0.543 20 0 GCADHN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923592145 640144493 /nfs/dbraw/zinc/14/44/93/640144493.db2.gz ONDMSOINSSVDJG-GFCCVEGCSA-N 0 3 387.893 0.536 20 0 GCADHN C[S@](=O)CCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000737293244 640146351 /nfs/dbraw/zinc/14/63/51/640146351.db2.gz LKINPBGFVMTVSA-VWLOTQADSA-N 0 3 383.539 0.711 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@@H]2CCN(CC)[C@H](C)C2)CC1 ZINC000740893737 640218320 /nfs/dbraw/zinc/21/83/20/640218320.db2.gz CQYFBXDRGSFEBI-HUUCEWRRSA-N 0 3 376.523 0.810 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)CC1 ZINC000742321573 640243728 /nfs/dbraw/zinc/24/37/28/640243728.db2.gz OJFAXZPBCUMQJU-HNNXBMFYSA-N 0 3 376.523 0.812 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)s1 ZINC000747232597 640306513 /nfs/dbraw/zinc/30/65/13/640306513.db2.gz ZYORBAYQXJOFJZ-QWHCGFSZSA-N 0 3 387.527 0.433 20 0 GCADHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000753762284 640437866 /nfs/dbraw/zinc/43/78/66/640437866.db2.gz KEOWKGLZQAUVRV-HIMNYSJASA-N 0 3 396.556 0.830 20 0 GCADHN COCCN(C)CCNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000755153266 640465455 /nfs/dbraw/zinc/46/54/55/640465455.db2.gz PKIVCXQLLRHBML-UHFFFAOYSA-N 0 3 390.428 0.178 20 0 GCADHN CON(C)S(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CCN(C)C2)ccc1Cl ZINC000762720729 640614674 /nfs/dbraw/zinc/61/46/74/640614674.db2.gz YXCMHDQGBZIVRZ-HNNXBMFYSA-N 0 3 391.877 0.318 20 0 GCADHN C[C@@H](N[C@@H](C)CC(N)=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000763398720 640627826 /nfs/dbraw/zinc/62/78/26/640627826.db2.gz QPJFFXKYIQNQMJ-WDEREUQCSA-N 0 3 377.488 0.327 20 0 GCADHN COC[C@H](CCO)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766106005 640690628 /nfs/dbraw/zinc/69/06/28/640690628.db2.gz AMZMXXUFVKRSNN-JSGCOSHPSA-N 0 3 394.515 0.460 20 0 GCADHN Cc1n[nH]c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1Br ZINC000766345705 640694676 /nfs/dbraw/zinc/69/46/76/640694676.db2.gz UUJFKXJAZHTTQM-LLVKDONJSA-N 0 3 384.278 0.859 20 0 GCADHN COC1CCN(CCNC(=O)N[C@@H](CCSC)C(=O)N(C)OC)CC1 ZINC000767163595 640715937 /nfs/dbraw/zinc/71/59/37/640715937.db2.gz JNOJMGUDXRINHP-AWEZNQCLSA-N 0 3 376.523 0.538 20 0 GCADHN COc1cc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cnc1Cl ZINC000767745355 640732611 /nfs/dbraw/zinc/73/26/11/640732611.db2.gz HMOKJVAOQGXRHM-LLVKDONJSA-N 0 3 390.893 0.609 20 0 GCADHN CN1CCN(CCCNC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769619804 640778732 /nfs/dbraw/zinc/77/87/32/640778732.db2.gz FOEJJRGHEAZRBN-UHFFFAOYSA-N 0 3 381.278 0.859 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC(=S)NC2CCN(C)CC2)s1 ZINC000771855611 640834695 /nfs/dbraw/zinc/83/46/95/640834695.db2.gz BVKHBLNPMMBRON-UHFFFAOYSA-N 0 3 376.573 0.893 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000774284362 640884307 /nfs/dbraw/zinc/88/43/07/640884307.db2.gz UIZSEGKQZNXEKN-JTQLQIEISA-N 0 3 385.262 0.687 20 0 GCADHN CNS(=O)(=O)c1ccc([C@H](C)NCCCS(=O)(=O)CCOC)cc1 ZINC000775237885 641074060 /nfs/dbraw/zinc/07/40/60/641074060.db2.gz DBIBFMMNXWQFMY-ZDUSSCGKSA-N 0 3 378.516 0.697 20 0 GCADHN CC(C)(C)OC(=O)N1[C@H](CNCCN2CCCS2(=O)=O)COC1(C)C ZINC000862277106 641191854 /nfs/dbraw/zinc/19/18/54/641191854.db2.gz OZUSKIGMHIXKKQ-CYBMUJFWSA-N 0 3 377.507 0.984 20 0 GCADHN Cn1cnc([C@@H]2CN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C[C@H]2N)c1 ZINC000864344069 641264200 /nfs/dbraw/zinc/26/42/00/641264200.db2.gz FSVCZTQDORYMCQ-ZIAGYGMSSA-N 0 3 382.873 0.801 20 0 GCADHN CC[S@@](C)(=O)=NS(=O)(=O)[N-]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000866679092 641315612 /nfs/dbraw/zinc/31/56/12/641315612.db2.gz JJOFGGBMOLSZER-XMMPIXPASA-N 0 3 389.547 0.546 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cn(C)nc1Br ZINC000866730917 641319935 /nfs/dbraw/zinc/31/99/35/641319935.db2.gz OIQIJEDCKAMASH-UHFFFAOYSA-N 0 3 382.328 0.297 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C2CCC([NH3+])CC2)c1I ZINC000866738714 641321004 /nfs/dbraw/zinc/32/10/04/641321004.db2.gz QFTGEWUPMKCYTQ-UHFFFAOYSA-N 0 3 384.243 0.573 20 0 GCADHN CCS(=O)(CC)=NS(=O)(=O)N1CCN(C[C@H]2CCCCN2C)CC1 ZINC000866749561 641323813 /nfs/dbraw/zinc/32/38/13/641323813.db2.gz LIJPVBAFNOTOQL-OAHLLOKOSA-N 0 3 380.580 0.841 20 0 GCADHN Cn1ncc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c1I ZINC000866754562 641324415 /nfs/dbraw/zinc/32/44/15/641324415.db2.gz QQJMQTMDFIVQIZ-VIFPVBQESA-N 0 3 398.270 0.645 20 0 GCADHN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2I)CC[NH2+]1 ZINC000866758424 641325691 /nfs/dbraw/zinc/32/56/91/641325691.db2.gz AUQOFABBIVCYMQ-HTQZYQBOSA-N 0 3 384.243 0.444 20 0 GCADHN C[C@@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866761045 641326321 /nfs/dbraw/zinc/32/63/21/641326321.db2.gz PGLSFYKQSXANIG-SFYZADRCSA-N 0 3 384.243 0.301 20 0 GCADHN C[C@@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866761323 641326445 /nfs/dbraw/zinc/32/64/45/641326445.db2.gz UDRMQBWWCGPLHS-HTQZYQBOSA-N 0 3 384.243 0.301 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)c1I ZINC000866768916 641328679 /nfs/dbraw/zinc/32/86/79/641328679.db2.gz GFBKLUYZZSZAQN-VIFPVBQESA-N 0 3 398.270 0.835 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H]2CC[NH2+]CC2(C)C)c1I ZINC000866770276 641328998 /nfs/dbraw/zinc/32/89/98/641328998.db2.gz UQFMDBWLNDMXOP-VIFPVBQESA-N 0 3 398.270 0.691 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H]2CC[NH2+]C23CCC3)c1I ZINC000866780165 641331520 /nfs/dbraw/zinc/33/15/20/641331520.db2.gz ZWDKPYKBYOSFKZ-VIFPVBQESA-N 0 3 396.254 0.588 20 0 GCADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)c1csnc1C(=O)OC ZINC000867582582 641358865 /nfs/dbraw/zinc/35/88/65/641358865.db2.gz RVZYVOJIRQNSDV-UHFFFAOYSA-N 0 3 391.515 0.909 20 0 GCADHN O=S(=O)(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)N1CCNCC1 ZINC000923604137 641363596 /nfs/dbraw/zinc/36/35/96/641363596.db2.gz SLDWHEUBPPVPHT-MRXNPFEDSA-N 0 3 388.921 0.453 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000790192370 641409596 /nfs/dbraw/zinc/40/95/96/641409596.db2.gz ZCAFMHCUXIEIFO-LSDHHAIUSA-N 0 3 388.603 0.341 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1ccc(Br)cc1=O ZINC000869081580 641415846 /nfs/dbraw/zinc/41/58/46/641415846.db2.gz ODZCMYYUKGXMBF-LLVKDONJSA-N 0 3 385.262 0.189 20 0 GCADHN CN([C@H](C(N)=O)c1cccc(Br)c1)S(=O)(=O)N1CCNCC1 ZINC000923633125 641458120 /nfs/dbraw/zinc/45/81/20/641458120.db2.gz RKQWBBOXGBHHES-LBPRGKRZSA-N 0 3 391.291 0.057 20 0 GCADHN CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000871804980 641458635 /nfs/dbraw/zinc/45/86/35/641458635.db2.gz JYUBHIHJZBLRSG-ZUGFLLEASA-N 0 3 380.580 0.934 20 0 GCADHN CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000871804979 641458665 /nfs/dbraw/zinc/45/86/65/641458665.db2.gz JYUBHIHJZBLRSG-BLOHKPANSA-N 0 3 380.580 0.934 20 0 GCADHN C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C2 ZINC000871815324 641459930 /nfs/dbraw/zinc/45/99/30/641459930.db2.gz SHQZZBQJVQJHNC-IINYFYTJSA-N 0 3 377.463 0.427 20 0 GCADHN O=C1[C@H](NS(=O)(=O)N2CCNCC2)CCN1c1ccc(F)c(Cl)c1 ZINC000923635162 641465689 /nfs/dbraw/zinc/46/56/89/641465689.db2.gz MUZYJYSPGWIJDP-CYBMUJFWSA-N 0 3 376.841 0.324 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000793813040 641474011 /nfs/dbraw/zinc/47/40/11/641474011.db2.gz GTZPPEHYAVREHD-ILXRZTDVSA-N 0 3 387.571 0.709 20 0 GCADHN CN(C[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1)S(C)(=O)=O ZINC000796127493 641535518 /nfs/dbraw/zinc/53/55/18/641535518.db2.gz XHKFGQVLUVNZQG-HNNXBMFYSA-N 0 3 389.543 0.480 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1ncc(Br)s1 ZINC000875785082 641554567 /nfs/dbraw/zinc/55/45/67/641554567.db2.gz NOGQCCFRKIHSQJ-UHFFFAOYSA-N 0 3 393.307 0.558 20 0 GCADHN 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GCADHN COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1F ZINC001268314960 1192627860 /nfs/dbraw/zinc/62/78/60/1192627860.db2.gz AZCSZHATWITXKZ-YRBFXIGRSA-N 0 3 382.432 0.453 20 0 GCADHN C[C@H]1CN(Cc2cccc(CNC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)c2)CCO1 ZINC000663811390 1192629225 /nfs/dbraw/zinc/62/92/25/1192629225.db2.gz YOFBMLCUHNIPJA-SNRMKQJTSA-N 0 3 376.501 0.724 20 0 GCADHN C[C@@H]1CN(Cc2cccc(CNC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)c2)CCO1 ZINC000663811389 1192629268 /nfs/dbraw/zinc/62/92/68/1192629268.db2.gz YOFBMLCUHNIPJA-MNEFBYGVSA-N 0 3 376.501 0.724 20 0 GCADHN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CC2 ZINC000140809619 1192629633 /nfs/dbraw/zinc/62/96/33/1192629633.db2.gz POZMLTVCQGICIJ-LSDHHAIUSA-N 0 3 389.504 0.103 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)C[C@@H]1O ZINC000663814472 1192635278 /nfs/dbraw/zinc/63/52/78/1192635278.db2.gz HTSBXJGPSXTUKU-HOTGVXAUSA-N 0 3 391.468 0.780 20 0 GCADHN COc1ccnc(N2CCC(C(=O)N[C@H](CO)CN3CCCCC3)CC2)n1 ZINC000512370722 1192635837 /nfs/dbraw/zinc/63/58/37/1192635837.db2.gz WLOPQYTWNUHFGE-INIZCTEOSA-N 0 3 377.489 0.665 20 0 GCADHN O=C(NCCc1ccc(OC(F)(F)F)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000418760092 1192640785 /nfs/dbraw/zinc/64/07/85/1192640785.db2.gz IUJKKFZHZATYEX-ZDUSSCGKSA-N 0 3 375.347 0.349 20 0 GCADHN COc1cc2c(c(OC)c1OC)CCN(C(=O)NC[C@@H]1CNCCO1)CC2 ZINC000418760682 1192641610 /nfs/dbraw/zinc/64/16/10/1192641610.db2.gz HCGFYOXPLHLVSB-AWEZNQCLSA-N 0 3 379.457 0.811 20 0 GCADHN COC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CNCCO3)[C@H](C)C2)cc1 ZINC000418776539 1192643233 /nfs/dbraw/zinc/64/32/33/1192643233.db2.gz XOWKOXCQQXMMIG-PBHICJAKSA-N 0 3 376.457 0.682 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000418798749 1192648443 /nfs/dbraw/zinc/64/84/43/1192648443.db2.gz VTEUQASLFSOEBL-OLZOCXBDSA-N 0 3 398.410 0.088 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)c(OC[C@@H]2CCCO2)c1 ZINC000418822435 1192656191 /nfs/dbraw/zinc/65/61/91/1192656191.db2.gz YEASQYDJEBDUJQ-IRXDYDNUSA-N 0 3 391.468 0.274 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000418827313 1192657655 /nfs/dbraw/zinc/65/76/55/1192657655.db2.gz DNPWHBJJYKSCKE-KKUMJFAQSA-N 0 3 378.473 0.762 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418841908 1192663098 /nfs/dbraw/zinc/66/30/98/1192663098.db2.gz ZGKDIJCHEOSSJZ-HZPDHXFCSA-N 0 3 396.532 0.367 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418841910 1192663380 /nfs/dbraw/zinc/66/33/80/1192663380.db2.gz ZGKDIJCHEOSSJZ-JKSUJKDBSA-N 0 3 396.532 0.367 20 0 GCADHN CC(C)C[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H]2CNCCO2)ccn1 ZINC000418856277 1192667388 /nfs/dbraw/zinc/66/73/88/1192667388.db2.gz OUJMIHUUHDZLKO-GDBMZVCRSA-N 0 3 378.473 0.616 20 0 GCADHN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(=O)N1CCCNCC1 ZINC000418880099 1192675387 /nfs/dbraw/zinc/67/53/87/1192675387.db2.gz OQDFVYGSCOULQU-MRXNPFEDSA-N 0 3 394.422 0.394 20 0 GCADHN CCS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000418896394 1192680623 /nfs/dbraw/zinc/68/06/23/1192680623.db2.gz VBSZPIMZZIESAP-SWLSCSKDSA-N 0 3 397.497 0.326 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000418904327 1192684567 /nfs/dbraw/zinc/68/45/67/1192684567.db2.gz OMAZURCVGXRSFS-BBRMVZONSA-N 0 3 386.456 0.172 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000418904329 1192684813 /nfs/dbraw/zinc/68/48/13/1192684813.db2.gz OMAZURCVGXRSFS-CZUORRHYSA-N 0 3 386.456 0.172 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000418915490 1192688412 /nfs/dbraw/zinc/68/84/12/1192688412.db2.gz UYYYAQCEAYSLFJ-NUEKZKHPSA-N 0 3 394.516 0.656 20 0 GCADHN O=C(NCc1ccccc1OCC(F)(F)F)C(=O)NC[C@H]1CNCCO1 ZINC000418927813 1192693816 /nfs/dbraw/zinc/69/38/16/1192693816.db2.gz VZBRRXXVTBUUNU-GFCCVEGCSA-N 0 3 375.347 0.349 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CCc2sccc2C1 ZINC000418936386 1192695161 /nfs/dbraw/zinc/69/51/61/1192695161.db2.gz DSRAROJYGNBREO-JSGCOSHPSA-N 0 3 380.514 0.452 20 0 GCADHN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418949286 1192699028 /nfs/dbraw/zinc/69/90/28/1192699028.db2.gz NWGKYMGGGXUKCF-RYUDHWBXSA-N 0 3 389.374 0.694 20 0 GCADHN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418949285 1192699157 /nfs/dbraw/zinc/69/91/57/1192699157.db2.gz NWGKYMGGGXUKCF-NWDGAFQWSA-N 0 3 389.374 0.694 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000418959045 1192700001 /nfs/dbraw/zinc/70/00/01/1192700001.db2.gz GSLGUASADQRVHW-IUODEOHRSA-N 0 3 394.447 0.291 20 0 GCADHN CC(C)(C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000236685195 1192713895 /nfs/dbraw/zinc/71/38/95/1192713895.db2.gz GHKNFALZYTWHKX-CQSZACIVSA-N 0 3 379.486 0.769 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1-c1cnn(C)c1 ZINC000419005736 1192715926 /nfs/dbraw/zinc/71/59/26/1192715926.db2.gz ZTMFBFXUVGMGDV-CXAGYDPISA-N 0 3 385.468 0.933 20 0 GCADHN COc1ccc(OCCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419020286 1192722071 /nfs/dbraw/zinc/72/20/71/1192722071.db2.gz WTJUAJCMYJQSDR-BBRMVZONSA-N 0 3 379.457 0.810 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000419030764 1192732432 /nfs/dbraw/zinc/73/24/32/1192732432.db2.gz HYBCBIQGQPMAAH-IAGOWNOFSA-N 0 3 389.477 0.649 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000419033616 1192734166 /nfs/dbraw/zinc/73/41/66/1192734166.db2.gz LSZBIGIHUJINEU-UBHSHLNASA-N 0 3 392.431 0.276 20 0 GCADHN CCc1cc(N2CCC(NC(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)ncn1 ZINC000419038657 1192735720 /nfs/dbraw/zinc/73/57/20/1192735720.db2.gz FYVSAOSOLRBCDZ-GOSISDBHSA-N 0 3 396.495 0.940 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000410600548 1192742606 /nfs/dbraw/zinc/74/26/06/1192742606.db2.gz ADJJCHJSAWJHKW-GOSISDBHSA-N 0 3 375.469 0.845 20 0 GCADHN CCS(=O)(=O)CCCNC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419057847 1192751226 /nfs/dbraw/zinc/75/12/26/1192751226.db2.gz OWNJVKVRAZRGJQ-KRWDZBQOSA-N 0 3 391.493 0.897 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@H](CCO)C3)CC2)C[C@H](C)O1 ZINC000410607311 1192752916 /nfs/dbraw/zinc/75/29/16/1192752916.db2.gz KPDACDGAYMFWQH-ZIFCJYIRSA-N 0 3 395.544 0.955 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C[C@H](C)O1 ZINC000419062815 1192759039 /nfs/dbraw/zinc/75/90/39/1192759039.db2.gz HDXQPTWAWOHTMK-HLLBOEOZSA-N 0 3 376.501 0.807 20 0 GCADHN Cc1nc(-c2ccc(CCNC(=O)C(=O)NC[C@@H]3CNCCO3)s2)cs1 ZINC000419070993 1192768141 /nfs/dbraw/zinc/76/81/41/1192768141.db2.gz HZWGAJPUYSAUHU-LBPRGKRZSA-N 0 3 394.522 0.943 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000419073556 1192769599 /nfs/dbraw/zinc/76/95/99/1192769599.db2.gz MXNZGSOEFDQING-YPMHNXCESA-N 0 3 379.413 0.140 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000509722775 1192780065 /nfs/dbraw/zinc/78/00/65/1192780065.db2.gz URWVAGANYYMPPD-QGZVFWFLSA-N 0 3 396.532 0.368 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419085415 1192782420 /nfs/dbraw/zinc/78/24/20/1192782420.db2.gz BWKQNLCJHGRSIK-BYCMXARLSA-N 0 3 385.461 0.018 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000419085139 1192782508 /nfs/dbraw/zinc/78/25/08/1192782508.db2.gz MBRFJLUKFDBGCL-MRXNPFEDSA-N 0 3 395.887 0.609 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000419085480 1192782725 /nfs/dbraw/zinc/78/27/25/1192782725.db2.gz ZXBOFRCLXOJVGC-MFKMUULPSA-N 0 3 398.410 0.040 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)c1C ZINC000429798107 1192783130 /nfs/dbraw/zinc/78/31/30/1192783130.db2.gz FMJXKCJEOZXXRZ-UHFFFAOYSA-N 0 3 398.529 0.936 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000419086995 1192783694 /nfs/dbraw/zinc/78/36/94/1192783694.db2.gz PBCVYGUYVLFCOL-KBXIAJHMSA-N 0 3 384.521 0.220 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H](C(N)=O)C3)cc2)CC1 ZINC000051684353 1192784506 /nfs/dbraw/zinc/78/45/06/1192784506.db2.gz FMUMOMQSCWFXLV-GOSISDBHSA-N 0 3 389.500 0.220 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N(CC2CC2)CC2CC2)CC1 ZINC000410645184 1192785485 /nfs/dbraw/zinc/78/54/85/1192785485.db2.gz IAXXHORGSQTMIK-KRWDZBQOSA-N 0 3 376.501 0.400 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)c1ccc(F)cc1)C1CCCC1 ZINC000419098920 1192785851 /nfs/dbraw/zinc/78/58/51/1192785851.db2.gz SBHNKNLJGAYENQ-OAHLLOKOSA-N 0 3 385.461 0.349 20 0 GCADHN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)C(=O)N1CCCNCC1 ZINC000419102330 1192786361 /nfs/dbraw/zinc/78/63/61/1192786361.db2.gz DZBAQZQHMZIAPN-CYBMUJFWSA-N 0 3 398.385 0.749 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000419102342 1192786431 /nfs/dbraw/zinc/78/64/31/1192786431.db2.gz FBFUBGSOTUHEIW-MLGOLLRUSA-N 0 3 380.464 0.733 20 0 GCADHN CCC[C@H]1CNCCN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000419104207 1192791846 /nfs/dbraw/zinc/79/18/46/1192791846.db2.gz ACHBRUVBIQCXRH-KRWDZBQOSA-N 0 3 388.516 0.050 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1ccc(F)c(F)c1 ZINC000419108646 1192790495 /nfs/dbraw/zinc/79/04/95/1192790495.db2.gz LYJFBGRNFYQFQJ-LKTVYLICSA-N 0 3 385.411 0.998 20 0 GCADHN COCCN(C)CCNC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000500801982 1192794076 /nfs/dbraw/zinc/79/40/76/1192794076.db2.gz CKGLUMPZCPQJFB-UHFFFAOYSA-N 0 3 397.564 0.588 20 0 GCADHN C[C@H]1CCC[C@H](C)N(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000410662711 1192794959 /nfs/dbraw/zinc/79/49/59/1192794959.db2.gz CZXPCYFQBBDZJG-IRXDYDNUSA-N 0 3 378.517 0.790 20 0 GCADHN CC(C)C[C@@H](CNC(=O)C(=O)NC[C@@H](N)c1ccccc1)N1CCOCC1 ZINC000419124499 1192795889 /nfs/dbraw/zinc/79/58/89/1192795889.db2.gz XKAVLUKVFVLDQG-ZWKOTPCHSA-N 0 3 376.501 0.666 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000419125047 1192796593 /nfs/dbraw/zinc/79/65/93/1192796593.db2.gz YSIGBSJVWGWXOJ-HOCLYGCPSA-N 0 3 389.500 0.917 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000419118257 1192802228 /nfs/dbraw/zinc/80/22/28/1192802228.db2.gz QYCYDDKEBCHVRA-CABCVRRESA-N 0 3 383.514 0.845 20 0 GCADHN Cc1cccc(C)c1CCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419128760 1192804515 /nfs/dbraw/zinc/80/45/15/1192804515.db2.gz BSSVXZOBDBAQOW-QGZVFWFLSA-N 0 3 384.484 0.876 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1nccn1Cc1ccccc1 ZINC000419129821 1192805196 /nfs/dbraw/zinc/80/51/96/1192805196.db2.gz YPLWUCWQMSJJOC-RDJZCZTQSA-N 0 3 399.495 0.819 20 0 GCADHN CCSCC[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000500826123 1192811023 /nfs/dbraw/zinc/81/10/23/1192811023.db2.gz HUTALXURJYXHMY-OAHLLOKOSA-N 0 3 384.546 0.401 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 ZINC000432857948 1192816623 /nfs/dbraw/zinc/81/66/23/1192816623.db2.gz GSMZBGQLRUASMI-UHFFFAOYSA-N 0 3 393.513 0.811 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCOC[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000410683304 1192817383 /nfs/dbraw/zinc/81/73/83/1192817383.db2.gz NQPNOFIMVYJBLU-YESZJQIVSA-N 0 3 381.517 0.829 20 0 GCADHN O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000419159579 1192817637 /nfs/dbraw/zinc/81/76/37/1192817637.db2.gz OJGJLMOZUIRAEZ-KRWDZBQOSA-N 0 3 378.448 0.137 20 0 GCADHN O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000419159584 1192817723 /nfs/dbraw/zinc/81/77/23/1192817723.db2.gz OJGJLMOZUIRAEZ-QGZVFWFLSA-N 0 3 378.448 0.137 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419165103 1192822936 /nfs/dbraw/zinc/82/29/36/1192822936.db2.gz AZDSSOCVTRBDBS-IUODEOHRSA-N 0 3 397.497 0.326 20 0 GCADHN O=C(NCCOc1ccccc1-c1ccccc1)C(=O)NC[C@H]1CNCCO1 ZINC000419164218 1192821539 /nfs/dbraw/zinc/82/15/39/1192821539.db2.gz YHABOMAHOVYTQX-QGZVFWFLSA-N 0 3 383.448 0.953 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419165105 1192822586 /nfs/dbraw/zinc/82/25/86/1192822586.db2.gz AZDSSOCVTRBDBS-WFASDCNBSA-N 0 3 397.497 0.326 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419165104 1192822825 /nfs/dbraw/zinc/82/28/25/1192822825.db2.gz AZDSSOCVTRBDBS-SWLSCSKDSA-N 0 3 397.497 0.326 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000419168466 1192823371 /nfs/dbraw/zinc/82/33/71/1192823371.db2.gz KNRGEQXKSQVMKI-IUODEOHRSA-N 0 3 376.457 0.716 20 0 GCADHN CC[C@H]1CCCCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000410681534 1192824265 /nfs/dbraw/zinc/82/42/65/1192824265.db2.gz GKIMMHXAYLKEGD-IRXDYDNUSA-N 0 3 378.517 0.933 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000419176855 1192828701 /nfs/dbraw/zinc/82/87/01/1192828701.db2.gz CHFRQCQDKBZQIZ-CZUORRHYSA-N 0 3 385.468 0.933 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCCc3cc(N)ccc32)CC1(C)C ZINC000419193076 1192832078 /nfs/dbraw/zinc/83/20/78/1192832078.db2.gz YTEYPAAJCJULGW-GOSISDBHSA-N 0 3 387.528 0.905 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1 ZINC000419179231 1192833182 /nfs/dbraw/zinc/83/31/82/1192833182.db2.gz VMKJDOQBKHURAK-SJLPKXTDSA-N 0 3 380.448 0.835 20 0 GCADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)N3CCCNCC3)C2)c1 ZINC000419200789 1192841961 /nfs/dbraw/zinc/84/19/61/1192841961.db2.gz MJWGZCYWXRYXHF-AWEZNQCLSA-N 0 3 376.457 0.221 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000410710216 1192846196 /nfs/dbraw/zinc/84/61/96/1192846196.db2.gz TZBZDYRGRMALDE-LJQANCHMSA-N 0 3 376.457 0.299 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000410708384 1192844652 /nfs/dbraw/zinc/84/46/52/1192844652.db2.gz IYBJZPBKYQPHAU-INIZCTEOSA-N 0 3 378.473 0.103 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000419205573 1192851557 /nfs/dbraw/zinc/85/15/57/1192851557.db2.gz JGUMATPUNZCJSF-SZMVWBNQSA-N 0 3 388.512 0.996 20 0 GCADHN CCNC(=O)c1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419205318 1192854417 /nfs/dbraw/zinc/85/44/17/1192854417.db2.gz JWDLXCWNTUXWER-WFASDCNBSA-N 0 3 376.457 0.282 20 0 GCADHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1(C)C ZINC000410726602 1192864037 /nfs/dbraw/zinc/86/40/37/1192864037.db2.gz WITRELCFIJOYLO-IAGOWNOFSA-N 0 3 382.549 0.744 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)COCCOC)c2)CC1 ZINC000473386426 1192881483 /nfs/dbraw/zinc/88/14/83/1192881483.db2.gz UAEGDOKXIWFQBG-INIZCTEOSA-N 0 3 392.500 0.935 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[S@](=O)[C@H](C)C3)c2)CC1 ZINC000473381145 1192882682 /nfs/dbraw/zinc/88/26/82/1192882682.db2.gz YQJUNYWCWXMMHW-RXAIFQJESA-N 0 3 392.525 0.746 20 0 GCADHN CCOC[C@@H](O)CNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473392819 1192885677 /nfs/dbraw/zinc/88/56/77/1192885677.db2.gz ZEGYHXHRWWBQHF-KRWDZBQOSA-N 0 3 378.473 0.281 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@]3(OC)CCOC3)c2)CC1 ZINC000473404854 1192887607 /nfs/dbraw/zinc/88/76/07/1192887607.db2.gz GFXWCVPEHBUYCE-FQEVSTJZSA-N 0 3 390.484 0.689 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](CO)OC[C@H]3C)c2)CC1 ZINC000473408925 1192890992 /nfs/dbraw/zinc/89/09/92/1192890992.db2.gz QRDGQAMTNYANJI-QAPCUYQASA-N 0 3 390.484 0.375 20 0 GCADHN Cc1nnc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)s1 ZINC000894018201 1192891582 /nfs/dbraw/zinc/89/15/82/1192891582.db2.gz OJMLYLZQOIVVML-CQSZACIVSA-N 0 3 389.529 0.783 20 0 GCADHN CC(=O)N1CC[C@H](CN(C)[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000246203981 1192901068 /nfs/dbraw/zinc/90/10/68/1192901068.db2.gz DWCWXJJLNKAXSC-DOTOQJQBSA-N 0 3 390.484 0.753 20 0 GCADHN COc1cccc2c1CCN(C(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)CC2 ZINC000410793179 1192903401 /nfs/dbraw/zinc/90/34/01/1192903401.db2.gz QFUJGQXGPDATKW-INIZCTEOSA-N 0 3 375.469 0.411 20 0 GCADHN O=C1N[C@H](CN2CCCCC2)C(=O)N1C[C@H](N1CCOCC1)C(F)(F)F ZINC000924862550 1192911165 /nfs/dbraw/zinc/91/11/65/1192911165.db2.gz WKKYECFEYIODMJ-OLZOCXBDSA-N 0 3 378.395 0.656 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N(C)CCC(N)=O)CC2)C[C@@H](C)O1 ZINC000410894865 1192912675 /nfs/dbraw/zinc/91/26/75/1192912675.db2.gz CYAHTHZQXYGVBW-HUUCEWRRSA-N 0 3 382.505 0.058 20 0 GCADHN CCN(C(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)[C@H](COC)Cc1ccccc1 ZINC000410882590 1192912810 /nfs/dbraw/zinc/91/28/10/1192912810.db2.gz JBNSIQZLMRTOFT-OALUTQOASA-N 0 3 391.512 0.882 20 0 GCADHN COc1ccc(CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)c(OC)c1 ZINC000663865342 1192914767 /nfs/dbraw/zinc/91/47/67/1192914767.db2.gz CNXYDZNWRBGISE-UHFFFAOYSA-N 0 3 380.489 0.908 20 0 GCADHN CCSCC[C@H](C)N(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000410919295 1192915185 /nfs/dbraw/zinc/91/51/85/1192915185.db2.gz LUTBGXKQRCEMRD-HOTGVXAUSA-N 0 3 398.573 0.742 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000410935772 1192917263 /nfs/dbraw/zinc/91/72/63/1192917263.db2.gz BVGUQHKAQJKHLG-CVEARBPZSA-N 0 3 378.517 0.929 20 0 GCADHN CCN(CCNCC(=O)NC(=O)NC1CCCC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268470436 1192924678 /nfs/dbraw/zinc/92/46/78/1192924678.db2.gz MQBODTCWEJOKKP-OCABDXPQSA-N 0 3 392.500 0.616 20 0 GCADHN CCN(CCNCC(=O)N1CCOC[C@@H]1C1CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268470397 1192924742 /nfs/dbraw/zinc/92/47/42/1192924742.db2.gz MKTKYXQKWTURPU-KLTZCBCKSA-N 0 3 391.512 0.485 20 0 GCADHN CCN(CCNCC(=O)NC(=O)NCC(C)C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268470566 1192924768 /nfs/dbraw/zinc/92/47/68/1192924768.db2.gz NLMHVESDHLWJGA-YQQAZPJKSA-N 0 3 382.505 0.721 20 0 GCADHN COC(=O)COc1ccc([C@H](C)N[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000274490664 1184075616 /nfs/dbraw/zinc/07/56/16/1184075616.db2.gz SIWYREZYEMCYDP-LSDHHAIUSA-N 0 3 391.468 0.968 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000274492923 1184076630 /nfs/dbraw/zinc/07/66/30/1184076630.db2.gz RRSLVJVNVKBNRV-HNNXBMFYSA-N 0 3 382.530 0.693 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC000274508609 1184081647 /nfs/dbraw/zinc/08/16/47/1184081647.db2.gz GMNWGDFBEQILRV-AWEZNQCLSA-N 0 3 379.457 0.487 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](CCO)COC)c2)CC1 ZINC000274528032 1184088544 /nfs/dbraw/zinc/08/85/44/1184088544.db2.gz OWTHCEVIYAHFNN-INIZCTEOSA-N 0 3 378.473 0.281 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCCS(C)(=O)=O)c2)CC1 ZINC000274532895 1184089215 /nfs/dbraw/zinc/08/92/15/1184089215.db2.gz PVDVEBIYZKJJOB-UHFFFAOYSA-N 0 3 396.513 0.318 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCNC(=O)C3CC3)c2)CC1 ZINC000274534117 1184089962 /nfs/dbraw/zinc/08/99/62/1184089962.db2.gz QDSQPFOUCWNSNC-UHFFFAOYSA-N 0 3 387.484 0.409 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000274534231 1184090077 /nfs/dbraw/zinc/09/00/77/1184090077.db2.gz JICYHHIFKUWFSA-LJQANCHMSA-N 0 3 384.480 0.853 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000274534230 1184090447 /nfs/dbraw/zinc/09/04/47/1184090447.db2.gz JICYHHIFKUWFSA-IBGZPJMESA-N 0 3 384.480 0.853 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCCCNC3=O)c2)CC1 ZINC000274538536 1184091944 /nfs/dbraw/zinc/09/19/44/1184091944.db2.gz RDVRRWBZRDFWNT-KRWDZBQOSA-N 0 3 387.484 0.552 20 0 GCADHN CCN(CCO)CCNC(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000274545484 1184092972 /nfs/dbraw/zinc/09/29/72/1184092972.db2.gz LRRNZZZFVPTVEG-BJMVGYQFSA-N 0 3 381.498 0.571 20 0 GCADHN CCC[C@H](O)[C@H](CO)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000413355725 1184096003 /nfs/dbraw/zinc/09/60/03/1184096003.db2.gz SIHOILLAOGQZNL-OALUTQOASA-N 0 3 379.501 0.964 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC3(O)CCOCC3)c2)CC1 ZINC000274551922 1184096078 /nfs/dbraw/zinc/09/60/78/1184096078.db2.gz UYBWMWXEWYNJOW-UHFFFAOYSA-N 0 3 390.484 0.425 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000274559748 1184099113 /nfs/dbraw/zinc/09/91/13/1184099113.db2.gz ORKHXUDIZZBDGO-KRWDZBQOSA-N 0 3 377.485 0.734 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)c2ccccc2OC)CC1 ZINC000274557544 1184099239 /nfs/dbraw/zinc/09/92/39/1184099239.db2.gz ZEDGFUIYCVAFHW-UHFFFAOYSA-N 0 3 390.484 0.438 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@](C)(O)CCOC)c2)CC1 ZINC000274562710 1184100070 /nfs/dbraw/zinc/10/00/70/1184100070.db2.gz XORDUFGGLMTKRW-FQEVSTJZSA-N 0 3 392.500 0.671 20 0 GCADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000274563992 1184100816 /nfs/dbraw/zinc/10/08/16/1184100816.db2.gz XXICFOSNPFVFPM-OAHLLOKOSA-N 0 3 390.484 0.862 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)c2)CC1 ZINC000274564951 1184101454 /nfs/dbraw/zinc/10/14/54/1184101454.db2.gz YCKOBTSLNZRPSM-UHFFFAOYSA-N 0 3 394.497 0.024 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000274567117 1184102142 /nfs/dbraw/zinc/10/21/42/1184102142.db2.gz YKKXSCNHMSKIFU-INIZCTEOSA-N 0 3 392.500 0.793 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)CNC(=O)N2CCc3ccccc3C2)CC1 ZINC000116762546 1184109204 /nfs/dbraw/zinc/10/92/04/1184109204.db2.gz DWTSXDFZLLQPNP-QGZVFWFLSA-N 0 3 387.528 0.897 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000274585885 1184110499 /nfs/dbraw/zinc/11/04/99/1184110499.db2.gz OOCXCBXBYIHOEV-QGZVFWFLSA-N 0 3 387.528 0.897 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000274594429 1184112615 /nfs/dbraw/zinc/11/26/15/1184112615.db2.gz PUSDMERQCDXPQY-OAHLLOKOSA-N 0 3 397.545 0.202 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCC[C@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594077 1184112707 /nfs/dbraw/zinc/11/27/07/1184112707.db2.gz KSBCLHOCWJGDBL-DOTOQJQBSA-N 0 3 382.530 0.406 20 0 GCADHN CCN(CCO)CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000274598707 1184114011 /nfs/dbraw/zinc/11/40/11/1184114011.db2.gz WMRGCBVWOFQRTK-HXUWFJFHSA-N 0 3 388.468 0.416 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000925938806 1184116186 /nfs/dbraw/zinc/11/61/86/1184116186.db2.gz VKOGOXIFBWTYGF-CABCVRRESA-N 0 3 382.486 0.360 20 0 GCADHN CCc1c(NC(=O)C(=O)NCCCN2CCN(C)CC2)cnn1CC(C)C ZINC000153547915 1184116993 /nfs/dbraw/zinc/11/69/93/1184116993.db2.gz IBVGDOWSBFPDMJ-UHFFFAOYSA-N 0 3 378.521 0.794 20 0 GCADHN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579735370 1184120764 /nfs/dbraw/zinc/12/07/64/1184120764.db2.gz ZCAHGIRISSBCOL-QSJFSLAZSA-N 0 3 375.473 0.702 20 0 GCADHN CCOCCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000579735357 1184121065 /nfs/dbraw/zinc/12/10/65/1184121065.db2.gz YYLLNNVRJDGZOU-BBRMVZONSA-N 0 3 383.470 0.034 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)[C@@H]2C1 ZINC000579744224 1184127214 /nfs/dbraw/zinc/12/72/14/1184127214.db2.gz YCOAURZORDYXKJ-TZMCWYRMSA-N 0 3 377.470 0.394 20 0 GCADHN NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)CNC[C@H]2CCCO2)CC1 ZINC000430150282 1184151126 /nfs/dbraw/zinc/15/11/26/1184151126.db2.gz YTEHSJPNWYRHBO-OAHLLOKOSA-N 0 3 388.468 0.731 20 0 GCADHN COCCN(C)CCNC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000605246357 1184154790 /nfs/dbraw/zinc/15/47/90/1184154790.db2.gz XWEFFQAOYJHENN-UHFFFAOYSA-N 0 3 394.541 0.868 20 0 GCADHN Cc1cc(N2CC[C@@H](N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n(C)n1 ZINC001020406361 1184156287 /nfs/dbraw/zinc/15/62/87/1184156287.db2.gz SBGFWFKQORNWFN-PSKDEXIXSA-N 0 3 399.495 0.494 20 0 GCADHN Cn1cc(N2CC[C@H](N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001020407947 1184156880 /nfs/dbraw/zinc/15/68/80/1184156880.db2.gz MCJGQEUBLAGCON-TZYOFSNVSA-N 0 3 385.468 0.186 20 0 GCADHN Cn1ccc(N2CC[C@@H](N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001020408093 1184156940 /nfs/dbraw/zinc/15/69/40/1184156940.db2.gz SJILVKXOKQSHHB-XORUHAJMSA-N 0 3 385.468 0.186 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000274672496 1184175776 /nfs/dbraw/zinc/17/57/76/1184175776.db2.gz YKEORSZPFIVVQF-UHFFFAOYSA-N 0 3 382.436 0.551 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000274689423 1184187582 /nfs/dbraw/zinc/18/75/82/1184187582.db2.gz UMYKNSAFXRSTDB-IBGZPJMESA-N 0 3 378.517 0.543 20 0 GCADHN CCN(CCO)CCNC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000274695294 1184190313 /nfs/dbraw/zinc/19/03/13/1184190313.db2.gz WFHHQGOFSNXTEW-UHFFFAOYSA-N 0 3 391.516 0.339 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000274715216 1184213333 /nfs/dbraw/zinc/21/33/33/1184213333.db2.gz FTMBVYSRQRQDFW-JKSUJKDBSA-N 0 3 395.525 0.684 20 0 GCADHN O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654947903 1184219005 /nfs/dbraw/zinc/21/90/05/1184219005.db2.gz WNVUNTZBGKEGBS-HOCLYGCPSA-N 0 3 387.419 0.873 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1S(N)(=O)=O ZINC000654946955 1184219029 /nfs/dbraw/zinc/21/90/29/1184219029.db2.gz OFMOENUBOSLCMI-GJZGRUSLSA-N 0 3 394.497 0.714 20 0 GCADHN CN1C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)cc2C1=O ZINC000654946979 1184219198 /nfs/dbraw/zinc/21/91/98/1184219198.db2.gz PUKMSTXJHFPDOZ-HZPDHXFCSA-N 0 3 384.436 0.984 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1S(N)(=O)=O ZINC000654946956 1184219271 /nfs/dbraw/zinc/21/92/71/1184219271.db2.gz OFMOENUBOSLCMI-HUUCEWRRSA-N 0 3 394.497 0.714 20 0 GCADHN CN1C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)cc2C1=O ZINC000654946978 1184219619 /nfs/dbraw/zinc/21/96/19/1184219619.db2.gz PUKMSTXJHFPDOZ-HOTGVXAUSA-N 0 3 384.436 0.984 20 0 GCADHN COc1ncc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1C(N)=O ZINC000654948064 1184220186 /nfs/dbraw/zinc/22/01/86/1184220186.db2.gz XUFVQPZAYLDYDG-UONOGXRCSA-N 0 3 375.429 0.261 20 0 GCADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)cc2)c1=O ZINC000654949274 1184220548 /nfs/dbraw/zinc/22/05/48/1184220548.db2.gz QWAPSYUFBTYCJR-SJORKVTESA-N 0 3 398.467 0.643 20 0 GCADHN NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000654949603 1184221032 /nfs/dbraw/zinc/22/10/32/1184221032.db2.gz XJGMRORXXNXTOP-CABCVRRESA-N 0 3 380.470 0.406 20 0 GCADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)cc2)c1=O ZINC000654949271 1184221188 /nfs/dbraw/zinc/22/11/88/1184221188.db2.gz QWAPSYUFBTYCJR-DLBZAZTESA-N 0 3 398.467 0.643 20 0 GCADHN COCCNCC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000430185219 1184221706 /nfs/dbraw/zinc/22/17/06/1184221706.db2.gz CZIBVPHKGOZGAT-OAHLLOKOSA-N 0 3 383.514 0.959 20 0 GCADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000654946572 1184222036 /nfs/dbraw/zinc/22/20/36/1184222036.db2.gz LCRNGYCPDJNVEU-ZIAGYGMSSA-N 0 3 376.461 0.043 20 0 GCADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)NCCN1CCCCC1)C1CCCC1 ZINC000654954077 1184223610 /nfs/dbraw/zinc/22/36/10/1184223610.db2.gz BGWFVUVQRIHDHB-MRXNPFEDSA-N 0 3 389.566 0.726 20 0 GCADHN COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@H](C)N3CCCC3)n2)cc1 ZINC000547649283 1184224996 /nfs/dbraw/zinc/22/49/96/1184224996.db2.gz LSWQNCLDHFITQX-HNNXBMFYSA-N 0 3 385.468 1.479 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](O)C1)N1CCCCC1 ZINC000969311492 1184252238 /nfs/dbraw/zinc/25/22/38/1184252238.db2.gz DNGNICGKFKXBRW-IECFSIQFSA-N 0 3 393.528 0.754 20 0 GCADHN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnnn1CCN(C)C ZINC000510081667 1184254051 /nfs/dbraw/zinc/25/40/51/1184254051.db2.gz AQSOHLAJJQMVJG-OAHLLOKOSA-N 0 3 376.486 0.643 20 0 GCADHN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnnn2CCN(C)C)CC1 ZINC000510082281 1184258902 /nfs/dbraw/zinc/25/89/02/1184258902.db2.gz DNVPWFDGCWHMGN-LBPRGKRZSA-N 0 3 384.506 0.517 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](O)C1 ZINC000969322965 1184261728 /nfs/dbraw/zinc/26/17/28/1184261728.db2.gz KUOUIQPWIZDMFA-SXJNSPEGSA-N 0 3 399.491 0.473 20 0 GCADHN CN(C)Cc1cccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H](O)C2)c1 ZINC000969323477 1184261754 /nfs/dbraw/zinc/26/17/54/1184261754.db2.gz SLSNLBQIAUMGIJ-SXJNSPEGSA-N 0 3 399.491 0.473 20 0 GCADHN COc1cc(NC(=O)CSc2nnnn2CCN(C)C)cc(OC)c1OC ZINC000510083846 1184263330 /nfs/dbraw/zinc/26/33/30/1184263330.db2.gz IMSJOXDAHJAEBN-UHFFFAOYSA-N 0 3 396.473 0.991 20 0 GCADHN Cn1cc(S(=O)(=O)NCC(=O)NC[C@H](c2cccs2)N2CCCC2)cn1 ZINC000047056004 1184265956 /nfs/dbraw/zinc/26/59/56/1184265956.db2.gz XRNDYXRGQKWQGS-CQSZACIVSA-N 0 3 397.526 0.713 20 0 GCADHN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NC[C@]1(O)CN3CCC1CC3)C2=O ZINC000655073443 1184276792 /nfs/dbraw/zinc/27/67/92/1184276792.db2.gz BQXKGSWTUWHFGF-ILWKUFEGSA-N 0 3 392.500 0.306 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)C[C@@H]1O ZINC000655096005 1184282244 /nfs/dbraw/zinc/28/22/44/1184282244.db2.gz MGLSAQPJWHNXIC-YUMQZZPRSA-N 0 3 386.321 0.579 20 0 GCADHN CCOc1ccccc1C(=O)N[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C(C)C ZINC000655093727 1184282711 /nfs/dbraw/zinc/28/27/11/1184282711.db2.gz LZIWBEFZTBSQBB-XYJFISCASA-N 0 3 377.485 0.973 20 0 GCADHN COc1ccc([C@@H]2[C@@H](C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CCC(=O)N2C)cc1 ZINC000655094462 1184282734 /nfs/dbraw/zinc/28/27/34/1184282734.db2.gz HRFUFGJUPVBPFB-LSTDLKDCSA-N 0 3 375.469 0.738 20 0 GCADHN CCN(CC)[C@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccsc1 ZINC000047108255 1184290014 /nfs/dbraw/zinc/29/00/14/1184290014.db2.gz OIBGRDGQUAHTSW-OAHLLOKOSA-N 0 3 399.542 0.959 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C[C@@H]1O ZINC000969413093 1184299017 /nfs/dbraw/zinc/29/90/17/1184299017.db2.gz NTMZVGPNBRCYNB-CQSHLORDSA-N 0 3 382.464 0.926 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000655274164 1184346896 /nfs/dbraw/zinc/34/68/96/1184346896.db2.gz YINRBZNTZRYWKF-KRWDZBQOSA-N 0 3 380.533 0.500 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000655273957 1184347134 /nfs/dbraw/zinc/34/71/34/1184347134.db2.gz SNZYPOOWMLFEPU-UHFFFAOYSA-N 0 3 385.534 0.730 20 0 GCADHN CCNS(=O)(=O)CCNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000069073284 1184363968 /nfs/dbraw/zinc/36/39/68/1184363968.db2.gz DZFPOTSRRUTGBD-UHFFFAOYSA-N 0 3 397.545 0.173 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCN(CC)CC2)cc1 ZINC000071004228 1184379665 /nfs/dbraw/zinc/37/96/65/1184379665.db2.gz OVSCBBWMCQLSIB-OAHLLOKOSA-N 0 3 389.500 0.517 20 0 GCADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655352426 1184386467 /nfs/dbraw/zinc/38/64/67/1184386467.db2.gz ZFEXSLLTRXIGJA-VCBZYWHSSA-N 0 3 392.500 0.735 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)NCCCNS(C)(=O)=O)c2)CC1 ZINC000274816827 1184392530 /nfs/dbraw/zinc/39/25/30/1184392530.db2.gz NQNASAAGSBENSU-UHFFFAOYSA-N 0 3 383.518 0.889 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccnn1Cc1ccccc1)CN1CCN(C)CC1 ZINC000154444225 1184399329 /nfs/dbraw/zinc/39/93/29/1184399329.db2.gz LIMRBHBFIFJONH-KRWDZBQOSA-N 0 3 398.511 0.870 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000430263321 1184406567 /nfs/dbraw/zinc/40/65/67/1184406567.db2.gz ZZFPGOJSMDULDX-NRFANRHFSA-N 0 3 386.496 0.997 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1)N(C)Cc1ccccc1 ZINC000287466851 1184413870 /nfs/dbraw/zinc/41/38/70/1184413870.db2.gz UDQOOMOXFZNEEQ-OIISXLGYSA-N 0 3 388.468 0.580 20 0 GCADHN COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000890662940 1184431774 /nfs/dbraw/zinc/43/17/74/1184431774.db2.gz PGHWGTPXCTZYTJ-SJORKVTESA-N 0 3 396.532 0.861 20 0 GCADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000246116878 1184465541 /nfs/dbraw/zinc/46/55/41/1184465541.db2.gz ACRGXMVHSOTVES-ZACQAIPSSA-N 0 3 377.533 0.950 20 0 GCADHN COCCNc1nc(NC[C@H]2CC[C@H](C)O2)nc(NC[C@@H]2CC[C@H](C)O2)n1 ZINC000413373023 1184481869 /nfs/dbraw/zinc/48/18/69/1184481869.db2.gz GQOQIGAOWOQFCP-ZQDZILKHSA-N 0 3 380.493 0.154 20 0 GCADHN CN(CCNC(=O)C1CCN(CC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000471234881 1184491357 /nfs/dbraw/zinc/49/13/57/1184491357.db2.gz LFJSKOHWXJYZFZ-UHFFFAOYSA-N 0 3 375.473 0.142 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)CNC(=O)c2ccccc2OC)CC1 ZINC000154919670 1184502152 /nfs/dbraw/zinc/50/21/52/1184502152.db2.gz GYVFUNGQOKDPDR-INIZCTEOSA-N 0 3 376.501 0.815 20 0 GCADHN Cn1cc(C(=O)NCCCCN2CCN(CCO)CC2)c2ccccc2c1=O ZINC000430302800 1184521038 /nfs/dbraw/zinc/52/10/38/1184521038.db2.gz SBVPKFKQGGMSDM-UHFFFAOYSA-N 0 3 386.496 0.658 20 0 GCADHN CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C[C@H]1N1CCCC1 ZINC000275168594 1184538456 /nfs/dbraw/zinc/53/84/56/1184538456.db2.gz WJIPPCCKUQWFNP-CABCVRRESA-N 0 3 398.554 0.984 20 0 GCADHN CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C[C@@H]1N1CCCC1 ZINC000275168608 1184539793 /nfs/dbraw/zinc/53/97/93/1184539793.db2.gz WJIPPCCKUQWFNP-LSDHHAIUSA-N 0 3 398.554 0.984 20 0 GCADHN CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C[C@@H]1N1CCCC1 ZINC000275168600 1184539966 /nfs/dbraw/zinc/53/99/66/1184539966.db2.gz WJIPPCCKUQWFNP-GJZGRUSLSA-N 0 3 398.554 0.984 20 0 GCADHN CC[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000275192135 1184545244 /nfs/dbraw/zinc/54/52/44/1184545244.db2.gz FUHDPUSVISNTCZ-ZBFHGGJFSA-N 0 3 396.513 0.311 20 0 GCADHN CCOc1cc2c(cc1NC(=O)C(=O)NCCN(C)CCCOC)OCCO2 ZINC000275210038 1184553560 /nfs/dbraw/zinc/55/35/60/1184553560.db2.gz BWMJIVNTSOZECU-UHFFFAOYSA-N 0 3 395.456 0.880 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 ZINC000275221597 1184556406 /nfs/dbraw/zinc/55/64/06/1184556406.db2.gz DIFNRAILYQOYBC-UHFFFAOYSA-N 0 3 389.456 0.309 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)COC ZINC000275221642 1184556454 /nfs/dbraw/zinc/55/64/54/1184556454.db2.gz DIMIMRXLFDKRFO-INIZCTEOSA-N 0 3 388.468 0.761 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)COC ZINC000275221648 1184556482 /nfs/dbraw/zinc/55/64/82/1184556482.db2.gz DIMIMRXLFDKRFO-MRXNPFEDSA-N 0 3 388.468 0.761 20 0 GCADHN CC(C)COc1cccc(NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000651958775 1184586116 /nfs/dbraw/zinc/58/61/16/1184586116.db2.gz ROGVYTDXZGNEDN-UHFFFAOYSA-N 0 3 390.484 0.892 20 0 GCADHN COc1cc([C@H](C)NCCN2C(=O)CNC2=O)ccc1S(=O)(=O)C(F)F ZINC000275324322 1184606825 /nfs/dbraw/zinc/60/68/25/1184606825.db2.gz LNVMOHHIULEJCX-VIFPVBQESA-N 0 3 391.396 0.894 20 0 GCADHN COC(=O)C[C@@](C)(NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccncc1 ZINC000275336958 1184613666 /nfs/dbraw/zinc/61/36/66/1184613666.db2.gz WJCWXCXNMYYVJP-IFXJQAMLSA-N 0 3 376.457 0.386 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@H](O)C3(C)C)cc21 ZINC000275343777 1184618179 /nfs/dbraw/zinc/61/81/79/1184618179.db2.gz RIHIOPZWFPGSHI-CABCVRRESA-N 0 3 390.440 0.370 20 0 GCADHN Cn1cc(CN2CCN(C(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)cn1 ZINC000579894008 1184625479 /nfs/dbraw/zinc/62/54/79/1184625479.db2.gz GTIWKGCMRSWRBK-KRWDZBQOSA-N 0 3 390.532 0.301 20 0 GCADHN COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1cc(N3CCCC3)nc(C)n1)C2 ZINC001167199541 1184630521 /nfs/dbraw/zinc/63/05/21/1184630521.db2.gz NPFDWXZXNNYCIT-CYBMUJFWSA-N 0 3 380.470 0.552 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCN1CC(F)F ZINC000623725365 1184633200 /nfs/dbraw/zinc/63/32/00/1184633200.db2.gz WJXBZZOKFPXSNH-LSDHHAIUSA-N 0 3 389.491 0.958 20 0 GCADHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000275376074 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391.472 0.681 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N(C)CC(C)(C)O)cc21 ZINC000275880472 1185224831 /nfs/dbraw/zinc/22/48/31/1185224831.db2.gz CLMXJAKDJBZWIQ-UHFFFAOYSA-N 0 3 378.429 0.324 20 0 GCADHN COc1cc(CN2CCN(C(=O)NC[C@H]3CNCCO3)CC2)cc(OC)c1 ZINC000580421097 1185226503 /nfs/dbraw/zinc/22/65/03/1185226503.db2.gz IWZBKFMRNFJFDZ-GOSISDBHSA-N 0 3 378.473 0.519 20 0 GCADHN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@@H]1CNCCO1 ZINC000580444277 1185233240 /nfs/dbraw/zinc/23/32/40/1185233240.db2.gz AUNYUKWMFOKAQF-LBPRGKRZSA-N 0 3 377.470 0.547 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(F)cc1 ZINC000580451583 1185234487 /nfs/dbraw/zinc/23/44/87/1185234487.db2.gz IVMBPUKZHHXLPV-OAGGEKHMSA-N 0 3 376.432 0.409 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(F)cc1 ZINC000580451584 1185234495 /nfs/dbraw/zinc/23/44/95/1185234495.db2.gz IVMBPUKZHHXLPV-PMPSAXMXSA-N 0 3 376.432 0.409 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000683945203 1185240451 /nfs/dbraw/zinc/24/04/51/1185240451.db2.gz IFIWUCRDYXAQDP-RDTXWAMCSA-N 0 3 394.497 0.747 20 0 GCADHN Cc1nnc([C@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)CCO2)[nH]1 ZINC000580525615 1185261929 /nfs/dbraw/zinc/26/19/29/1185261929.db2.gz LTSUFWKCNIYODK-HUUCEWRRSA-N 0 3 376.461 0.100 20 0 GCADHN CN(C)CCN(C(=O)c1ccc(-c2nnc[nH]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000548107384 1185263907 /nfs/dbraw/zinc/26/39/07/1185263907.db2.gz FHTXXXDFKMPSLF-OAHLLOKOSA-N 0 3 377.470 0.663 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000275904521 1185264979 /nfs/dbraw/zinc/26/49/79/1185264979.db2.gz JSOYTNBBAPASQX-UHFFFAOYSA-N 0 3 397.497 0.601 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000548112665 1185276364 /nfs/dbraw/zinc/27/63/64/1185276364.db2.gz HLYUGCBMSDTTPX-UHFFFAOYSA-N 0 3 386.493 0.619 20 0 GCADHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OC)c1OC ZINC000580572365 1185278143 /nfs/dbraw/zinc/27/81/43/1185278143.db2.gz UFPDLQZJOBORSE-CHWSQXEVSA-N 0 3 378.429 0.166 20 0 GCADHN CCOCCOCc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000580580081 1185279480 /nfs/dbraw/zinc/27/94/80/1185279480.db2.gz ABKQBERQDZVUIU-QZTJIDSGSA-N 0 3 390.484 0.693 20 0 GCADHN COc1cncc(CNCC[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2C)n1 ZINC001104309159 1185282883 /nfs/dbraw/zinc/28/28/83/1185282883.db2.gz KSXOIMWSJSAUMF-FSZRXZPDSA-N 0 3 378.473 0.863 20 0 GCADHN CC1CCN(CCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000046368990 1185284495 /nfs/dbraw/zinc/28/44/95/1185284495.db2.gz PZPPEBFQZAJUMY-UHFFFAOYSA-N 0 3 379.505 0.195 20 0 GCADHN CC1CCN(CCNC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000046369024 1185285058 /nfs/dbraw/zinc/28/50/58/1185285058.db2.gz INSVKHOJCZUHHP-UHFFFAOYSA-N 0 3 386.504 0.927 20 0 GCADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000580663801 1185301032 /nfs/dbraw/zinc/30/10/32/1185301032.db2.gz WIXPNRBLPWKSGS-SFHVURJKSA-N 0 3 394.560 0.986 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)NCCCCN2CCN(C)CC2)nc1 ZINC000580689807 1185307356 /nfs/dbraw/zinc/30/73/56/1185307356.db2.gz MKOWYYGPFATMIB-UHFFFAOYSA-N 0 3 384.506 0.139 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000580692111 1185307616 /nfs/dbraw/zinc/30/76/16/1185307616.db2.gz ROQZTZOBAPGMCC-OAGGEKHMSA-N 0 3 385.530 0.449 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C(F)F)c3Cl)CCN2C1=O ZINC000580725994 1185315613 /nfs/dbraw/zinc/31/56/13/1185315613.db2.gz HAKCIVQGWWBCJB-PSASIEDQSA-N 0 3 386.786 0.987 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@H](c2nccn2C)c2ccccc2)n1 ZINC000580731807 1185318891 /nfs/dbraw/zinc/31/88/91/1185318891.db2.gz XJHIHDHARWGNOX-HNNXBMFYSA-N 0 3 382.472 0.297 20 0 GCADHN CCN(CC)[C@H](CNC(=O)NCCS(=O)(=O)NC)c1cccc(OC)c1 ZINC000275935362 1185320543 /nfs/dbraw/zinc/32/05/43/1185320543.db2.gz RQVMSOUHDXRQMD-MRXNPFEDSA-N 0 3 386.518 0.927 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)Cc1ccccc1 ZINC000656287607 1185328966 /nfs/dbraw/zinc/32/89/66/1185328966.db2.gz YWORXJUWGOBLDV-HNNXBMFYSA-N 0 3 387.488 0.333 20 0 GCADHN Cc1nnc(CCNC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)[nH]1 ZINC000275942785 1185329541 /nfs/dbraw/zinc/32/95/41/1185329541.db2.gz XWOSYYFIAMONLT-UHFFFAOYSA-N 0 3 385.472 0.158 20 0 GCADHN CSc1nnnn1-c1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC000275949034 1185329978 /nfs/dbraw/zinc/32/99/78/1185329978.db2.gz QNNLJLOLIQDLQF-UHFFFAOYSA-N 0 3 389.485 0.875 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000275950309 1185331287 /nfs/dbraw/zinc/33/12/87/1185331287.db2.gz QWAHDNOIQDLOGJ-UHFFFAOYSA-N 0 3 382.486 0.227 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000275970306 1185344850 /nfs/dbraw/zinc/34/48/50/1185344850.db2.gz LSTFWVWFMUJGSW-UHFFFAOYSA-N 0 3 376.457 0.508 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ncccn3)n2C2CC2)CC1 ZINC000580779757 1185357038 /nfs/dbraw/zinc/35/70/38/1185357038.db2.gz SVVPUHGHIYSVBP-HNNXBMFYSA-N 0 3 382.472 0.813 20 0 GCADHN COCCOc1ncccc1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656297067 1185357973 /nfs/dbraw/zinc/35/79/73/1185357973.db2.gz RYQNDNBXBZNJIB-SJORKVTESA-N 0 3 390.484 0.856 20 0 GCADHN COc1cc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(OC)c1OC ZINC000580785707 1185360802 /nfs/dbraw/zinc/36/08/02/1185360802.db2.gz LIGKSZPOYSRYDI-UBHSHLNASA-N 0 3 392.456 0.727 20 0 GCADHN NC(=O)COc1cccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000656301806 1185370617 /nfs/dbraw/zinc/37/06/17/1185370617.db2.gz NTGXGCOZVHIADZ-IAGOWNOFSA-N 0 3 388.468 0.300 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C2Cc3ccccc3C2)CC1 ZINC000123177230 1185376142 /nfs/dbraw/zinc/37/61/42/1185376142.db2.gz URVJAHOJZXQJIC-SFHVURJKSA-N 0 3 377.510 0.722 20 0 GCADHN O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000580834265 1185390263 /nfs/dbraw/zinc/39/02/63/1185390263.db2.gz YVYCIFFMJNIJNB-OAHLLOKOSA-N 0 3 398.467 0.943 20 0 GCADHN O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000580834262 1185390471 /nfs/dbraw/zinc/39/04/71/1185390471.db2.gz YVYCIFFMJNIJNB-HNNXBMFYSA-N 0 3 398.467 0.943 20 0 GCADHN CN(C)C(=O)C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000656315929 1185399844 /nfs/dbraw/zinc/39/98/44/1185399844.db2.gz NJQAGAQCKAVGGP-HZPDHXFCSA-N 0 3 378.517 0.884 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000656316414 1185404717 /nfs/dbraw/zinc/40/47/17/1185404717.db2.gz RNKCDXHTVSOWFW-WJFTUGDTSA-N 0 3 392.544 0.879 20 0 GCADHN Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC[C@H]1COCCO1 ZINC001707886999 1185406596 /nfs/dbraw/zinc/40/65/96/1185406596.db2.gz LUDVZRUFWHNMFL-OALUTQOASA-N 0 3 392.548 0.997 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(Cl)c1 ZINC000580904510 1185410877 /nfs/dbraw/zinc/41/08/77/1185410877.db2.gz VMHHKYZIVZVKHZ-BXUZGUMPSA-N 0 3 394.859 0.836 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)s1 ZINC000656324673 1185416941 /nfs/dbraw/zinc/41/69/41/1185416941.db2.gz XMZKCLJDKUTTEZ-KBPBESRZSA-N 0 3 399.538 0.901 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)s1 ZINC000656324676 1185417322 /nfs/dbraw/zinc/41/73/22/1185417322.db2.gz XMZKCLJDKUTTEZ-ZIAGYGMSSA-N 0 3 399.538 0.901 20 0 GCADHN O=C(NC1CCN(c2cccnn2)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656324462 1185419197 /nfs/dbraw/zinc/41/91/97/1185419197.db2.gz USSJICANBOIDRT-IAGOWNOFSA-N 0 3 386.500 0.695 20 0 GCADHN O=C(NCc1cc(=O)n2ccccc2n1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656342214 1185436288 /nfs/dbraw/zinc/43/62/88/1185436288.db2.gz VSENQIKSCWTXGI-HZPDHXFCSA-N 0 3 383.452 0.444 20 0 GCADHN CC(=O)NCCN(C)C(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000580952563 1185441866 /nfs/dbraw/zinc/44/18/66/1185441866.db2.gz LDPWHFSBOIZTIM-UHFFFAOYSA-N 0 3 388.512 0.748 20 0 GCADHN CC(C)OCCN1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656353321 1185447097 /nfs/dbraw/zinc/44/70/97/1185447097.db2.gz AFDIUXFAIGMSKO-ZWKOTPCHSA-N 0 3 380.533 0.689 20 0 GCADHN Cn1c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2nc1C1CC1 ZINC000580962185 1185447314 /nfs/dbraw/zinc/44/73/14/1185447314.db2.gz BOGLGDGNUQZNJJ-KGLIPLIRSA-N 0 3 396.451 0.160 20 0 GCADHN COCCc1noc(CN(C)C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000656355073 1185450950 /nfs/dbraw/zinc/45/09/50/1185450950.db2.gz IWIPXLAWDNSWKI-UONOGXRCSA-N 0 3 379.461 0.350 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nnn1-c1ccc2ncccc2c1 ZINC000580964162 1185451451 /nfs/dbraw/zinc/45/14/51/1185451451.db2.gz YOIAXONHSKSKQX-HZPDHXFCSA-N 0 3 391.435 0.508 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCN1CC(C)(C)O ZINC000656355730 1185454376 /nfs/dbraw/zinc/45/43/76/1185454376.db2.gz NLAXBGAVWUCLSV-ZACQAIPSSA-N 0 3 380.533 0.423 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000656356881 1185457823 /nfs/dbraw/zinc/45/78/23/1185457823.db2.gz HUZHPNAHEBGSSR-QRVBRYPASA-N 0 3 392.544 0.690 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000656356374 1185458904 /nfs/dbraw/zinc/45/89/04/1185458904.db2.gz STBLKTYLCXFQPO-ZWKOTPCHSA-N 0 3 384.480 0.995 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656358548 1185460331 /nfs/dbraw/zinc/46/03/31/1185460331.db2.gz RXQDXCRNBZHTOO-DLBZAZTESA-N 0 3 380.533 0.689 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000656359177 1185460931 /nfs/dbraw/zinc/46/09/31/1185460931.db2.gz WTBFOJTYEFXYDA-NWDGAFQWSA-N 0 3 376.379 0.310 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCNC2(CCCCC2)C1 ZINC000656364069 1185471120 /nfs/dbraw/zinc/47/11/20/1185471120.db2.gz BYQDHLPHEFXZPY-AWEZNQCLSA-N 0 3 397.545 0.838 20 0 GCADHN CCn1nncc1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000625443552 1185475588 /nfs/dbraw/zinc/47/55/88/1185475588.db2.gz ONLKPLWXHCLIKN-UHFFFAOYSA-N 0 3 394.426 0.783 20 0 GCADHN C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc2cncn2c1 ZINC000656367260 1185478129 /nfs/dbraw/zinc/47/81/29/1185478129.db2.gz MPYYSUKSDAHBHZ-VQIMIIECSA-N 0 3 386.500 0.881 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000156007095 1185507932 /nfs/dbraw/zinc/50/79/32/1185507932.db2.gz XLKDLNRXVCDMQV-LJQANCHMSA-N 0 3 388.560 0.593 20 0 GCADHN C[C@@H](O)CN(C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@@H](C)CO ZINC000276045103 1185516287 /nfs/dbraw/zinc/51/62/87/1185516287.db2.gz NZBPDVNFCOGXFZ-RBUKOAKNSA-N 0 3 392.544 0.968 20 0 GCADHN O=S1(=O)NC[C@H]2CN(CCCN3CCN(c4ccccc4)CC3)CCN21 ZINC000933102572 1185532377 /nfs/dbraw/zinc/53/23/77/1185532377.db2.gz ZPXKRQUGMOFVHY-SFHVURJKSA-N 0 3 379.530 0.033 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1nccn1C ZINC000625469478 1185545784 /nfs/dbraw/zinc/54/57/84/1185545784.db2.gz RIINZRYRQOBTDK-DJIMGWMZSA-N 0 3 377.489 0.699 20 0 GCADHN O=C(NCc1cncc([O-])c1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000933116427 1185549213 /nfs/dbraw/zinc/54/92/13/1185549213.db2.gz RXRHOHCLQKHOSN-UHFFFAOYSA-N 0 3 376.457 0.507 20 0 GCADHN c1cn(Cc2cn(CCCN3CCSCC3)nn2)c(CN2CCOCC2)n1 ZINC000656450433 1185559168 /nfs/dbraw/zinc/55/91/68/1185559168.db2.gz URHCQABCOZOUFR-UHFFFAOYSA-N 0 3 391.545 0.794 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)[C@H]3CCN(C)C3=O)c2)CC1 ZINC000276103020 1185574272 /nfs/dbraw/zinc/57/42/72/1185574272.db2.gz QUJUNHZLLVYVJN-KRWDZBQOSA-N 0 3 387.484 0.456 20 0 GCADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000276110726 1185577497 /nfs/dbraw/zinc/57/74/97/1185577497.db2.gz ZPNADBDXSBVGAO-UHFFFAOYSA-N 0 3 394.447 0.647 20 0 GCADHN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[C@@H]1CO ZINC000276144956 1185607340 /nfs/dbraw/zinc/60/73/40/1185607340.db2.gz CVUFQQURMBDCLE-WMLDXEAASA-N 0 3 399.488 0.361 20 0 GCADHN O=C(NCCN1CCCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000656494216 1185608579 /nfs/dbraw/zinc/60/85/79/1185608579.db2.gz YQBYGVQWOYKCAX-MRXNPFEDSA-N 0 3 381.498 0.970 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000581364377 1185617393 /nfs/dbraw/zinc/61/73/93/1185617393.db2.gz IWMRAVBEVZUQJQ-IAGOWNOFSA-N 0 3 381.498 0.333 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CCNCC(=O)Nc1ccon1 ZINC001104347428 1185619696 /nfs/dbraw/zinc/61/96/96/1185619696.db2.gz ZLHRKFOOVOZBEK-KLHDSHLOSA-N 0 3 393.488 0.406 20 0 GCADHN CCCn1nnnc1CNCC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104346478 1185620101 /nfs/dbraw/zinc/62/01/01/1185620101.db2.gz CSNLCMMGZFTJFS-QBPKDAKJSA-N 0 3 393.536 0.376 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)[C@@H]1CO ZINC000276181387 1185663524 /nfs/dbraw/zinc/66/35/24/1185663524.db2.gz RNHHLZGAAHLZHP-SWLSCSKDSA-N 0 3 390.440 0.324 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)O1 ZINC001021941477 1185682526 /nfs/dbraw/zinc/68/25/26/1185682526.db2.gz NNJUCXPRQISEFM-CYGHRXIMSA-N 0 3 378.517 0.249 20 0 GCADHN COC(=O)c1cccc(NC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000581429831 1185687500 /nfs/dbraw/zinc/68/75/00/1185687500.db2.gz KNHSGFJWQIQHIK-MRXNPFEDSA-N 0 3 388.468 0.556 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000581440467 1185691860 /nfs/dbraw/zinc/69/18/60/1185691860.db2.gz HOZMDJSYBXHNCO-CWSCBRNRSA-N 0 3 399.278 0.941 20 0 GCADHN CS[C@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C[C@@H]1N1CCCC1 ZINC000276248822 1185708338 /nfs/dbraw/zinc/70/83/38/1185708338.db2.gz PJPYMWRAALHZSQ-IRXDYDNUSA-N 0 3 389.525 0.670 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)CC(C)(CO)CO)c2)CC1 ZINC000276303014 1185723609 /nfs/dbraw/zinc/72/36/09/1185723609.db2.gz VOXPLSUHZYDFJF-UHFFFAOYSA-N 0 3 392.500 0.216 20 0 GCADHN COCCOCCOCCN(C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000276307581 1185726169 /nfs/dbraw/zinc/72/61/69/1185726169.db2.gz WSKDBBZSSVCAIC-OAHLLOKOSA-N 0 3 380.441 0.255 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000581500479 1185730612 /nfs/dbraw/zinc/73/06/12/1185730612.db2.gz UMMRQZZPZQDPBU-IAGOWNOFSA-N 0 3 384.480 0.385 20 0 GCADHN CCN1C(=S)N=NC1CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000276339643 1185744672 /nfs/dbraw/zinc/74/46/72/1185744672.db2.gz WJTJRSZYHXIGLM-UHFFFAOYSA-N 0 3 376.486 0.946 20 0 GCADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000581548538 1185755066 /nfs/dbraw/zinc/75/50/66/1185755066.db2.gz LWMDJKKIWVGOAM-UZLBHIALSA-N 0 3 389.452 0.109 20 0 GCADHN CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)C2)cc(=O)[n-]1 ZINC000276350454 1185755630 /nfs/dbraw/zinc/75/56/30/1185755630.db2.gz HRQVFYGOFIBWSO-HOTGVXAUSA-N 0 3 391.520 0.558 20 0 GCADHN CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)C2)cc(=O)[n-]1 ZINC000276350454 1185755636 /nfs/dbraw/zinc/75/56/36/1185755636.db2.gz HRQVFYGOFIBWSO-HOTGVXAUSA-N 0 3 391.520 0.558 20 0 GCADHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430610292 1185755648 /nfs/dbraw/zinc/75/56/48/1185755648.db2.gz KEUPWICKKHZIPZ-ZACQAIPSSA-N 0 3 393.532 0.535 20 0 GCADHN CN(C)CCN(CC1CCCCC1)C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000581552182 1185756708 /nfs/dbraw/zinc/75/67/08/1185756708.db2.gz OLEKGUHXRFQMNL-UHFFFAOYSA-N 0 3 391.520 0.875 20 0 GCADHN CS(=O)(=O)c1ccc(OCCN2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000430612668 1185765207 /nfs/dbraw/zinc/76/52/07/1185765207.db2.gz SWNGNQDPVDFWBP-INIZCTEOSA-N 0 3 395.525 0.613 20 0 GCADHN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430614091 1185775519 /nfs/dbraw/zinc/77/55/19/1185775519.db2.gz YCSWVXGXUWDFLD-CABCVRRESA-N 0 3 388.468 0.886 20 0 GCADHN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430614094 1185776222 /nfs/dbraw/zinc/77/62/22/1185776222.db2.gz YCSWVXGXUWDFLD-LSDHHAIUSA-N 0 3 388.468 0.886 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC000581591515 1185777041 /nfs/dbraw/zinc/77/70/41/1185777041.db2.gz LGVAZOHKRRFGSB-JKSUJKDBSA-N 0 3 377.489 0.089 20 0 GCADHN CN1CCN(C2CCN(C(=O)C(=O)NCC(C)(C)C3CCOCC3)CC2)CC1 ZINC000933318615 1185777545 /nfs/dbraw/zinc/77/75/45/1185777545.db2.gz MVMODTSAPOJAHE-UHFFFAOYSA-N 0 3 394.560 0.794 20 0 GCADHN CS(=O)(=O)C1(CNC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CCC1 ZINC000581603296 1185783176 /nfs/dbraw/zinc/78/31/76/1185783176.db2.gz RQXKPFYNXIXAPC-CQSZACIVSA-N 0 3 381.454 0.421 20 0 GCADHN O=C(NCCCN1CCN(c2ncccn2)CC1)[C@@H]1CNCc2ccccc21 ZINC000581605782 1185783600 /nfs/dbraw/zinc/78/36/00/1185783600.db2.gz YQGJEMDTZLCQRR-LJQANCHMSA-N 0 3 380.496 0.992 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)cc3F)CCN2C1=O ZINC000581618412 1185790134 /nfs/dbraw/zinc/79/01/34/1185790134.db2.gz BCAUPGJOZMZBBH-KWQFWETISA-N 0 3 386.330 0.136 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000430620688 1185796889 /nfs/dbraw/zinc/79/68/89/1185796889.db2.gz COLSEDINKHJCEU-ZWKOTPCHSA-N 0 3 386.496 0.250 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000276434616 1185816528 /nfs/dbraw/zinc/81/65/28/1185816528.db2.gz NYQLTBZORSKNRS-ZDUSSCGKSA-N 0 3 379.461 0.916 20 0 GCADHN COC(=O)Cn1cc(CCN2CCC(NC(=O)c3ccsc3)CC2)nn1 ZINC000156332396 1185821379 /nfs/dbraw/zinc/82/13/79/1185821379.db2.gz DFQWGZWJUREAEH-UHFFFAOYSA-N 0 3 377.470 0.950 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000276462831 1185830168 /nfs/dbraw/zinc/83/01/68/1185830168.db2.gz QTWDNZDKECFGED-CYBMUJFWSA-N 0 3 377.445 0.622 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)c2cc(N3CCNC(=O)C3)ccn2)C[C@H](C)O1 ZINC000276477348 1185835953 /nfs/dbraw/zinc/83/59/53/1185835953.db2.gz FKCNJHMWGMPAAV-IYBDPMFKSA-N 0 3 389.500 0.637 20 0 GCADHN CCOc1ccc(OC[C@H](O)CN2CCC(n3cc(C(N)=O)nn3)CC2)cc1 ZINC000625803869 1185838123 /nfs/dbraw/zinc/83/81/23/1185838123.db2.gz PMHNDXNVMWUSGS-OAHLLOKOSA-N 0 3 389.456 0.853 20 0 GCADHN CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CC(=O)N1CCNCC1 ZINC000430644414 1185857750 /nfs/dbraw/zinc/85/77/50/1185857750.db2.gz NHJJCHBXEDBGGA-UHFFFAOYSA-N 0 3 387.484 0.506 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000276517281 1185858726 /nfs/dbraw/zinc/85/87/26/1185858726.db2.gz YIZIRFLZRDBSRV-STQMWFEESA-N 0 3 379.461 0.772 20 0 GCADHN Cc1c(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cccc1S(=O)(=O)N(C)C ZINC000581708758 1185859430 /nfs/dbraw/zinc/85/94/30/1185859430.db2.gz ZOGBFBMFTPEPSR-ZDUSSCGKSA-N 0 3 396.513 0.642 20 0 GCADHN O=C(C(=O)N1CCn2c(nnc2C2CCCC2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000581712231 1185860536 /nfs/dbraw/zinc/86/05/36/1185860536.db2.gz ZWITUMZGGAXNIW-MRXNPFEDSA-N 0 3 386.500 0.975 20 0 GCADHN O=C(C(=O)N1CCCN(c2nccs2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000581712118 1185861042 /nfs/dbraw/zinc/86/10/42/1185861042.db2.gz HPRTTXJVSKBTMI-HNNXBMFYSA-N 0 3 377.514 0.879 20 0 GCADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000933391772 1185869847 /nfs/dbraw/zinc/86/98/47/1185869847.db2.gz GSTYRRGAWRSSBL-CVEARBPZSA-N 0 3 385.472 0.301 20 0 GCADHN COc1ccc(C[C@](C)(CO)NCC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000933430117 1185887225 /nfs/dbraw/zinc/88/72/25/1185887225.db2.gz SXZVRZUQHCUWIG-YLJYHZDGSA-N 0 3 377.485 0.705 20 0 GCADHN CCN(C(=O)CN[C@@](C)(CO)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000933443783 1185897122 /nfs/dbraw/zinc/89/71/22/1185897122.db2.gz ZJSOQUTUZDRKIY-SJLPKXTDSA-N 0 3 386.489 0.744 20 0 GCADHN COc1cccc([C@H]2CNCCN2C(=O)N[C@H](C)CN2CCN(C)CC2)c1 ZINC000891528252 1185905380 /nfs/dbraw/zinc/90/53/80/1185905380.db2.gz NVNWXRSAPLXVIY-VQIMIIECSA-N 0 3 375.517 0.987 20 0 GCADHN COc1cccc([C@@H]2CNCCN2C(=O)N[C@H](C)CN2CCN(C)CC2)c1 ZINC000891528249 1185905774 /nfs/dbraw/zinc/90/57/74/1185905774.db2.gz NVNWXRSAPLXVIY-APWZRJJASA-N 0 3 375.517 0.987 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000933520286 1185920076 /nfs/dbraw/zinc/92/00/76/1185920076.db2.gz ANQFGVRXDRNEHL-SHPPYHEDSA-N 0 3 394.516 0.073 20 0 GCADHN O=C(CN1CCC[C@@H](CO)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000293096476 1185922434 /nfs/dbraw/zinc/92/24/34/1185922434.db2.gz KRNLUHVUGZLTDI-QGZVFWFLSA-N 0 3 395.525 0.614 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](CO)CC1 ZINC000293285391 1185959840 /nfs/dbraw/zinc/95/98/40/1185959840.db2.gz VOYQDMLNKBQATI-GOEBONIOSA-N 0 3 383.514 0.476 20 0 GCADHN O=C(NCCc1nnc2n1CCCCC2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891699465 1185983982 /nfs/dbraw/zinc/98/39/82/1185983982.db2.gz CIOYPKDQRAEFED-CVEARBPZSA-N 0 3 376.505 0.788 20 0 GCADHN C[C@H](O)CN(C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H](C)CO ZINC000276717155 1185984220 /nfs/dbraw/zinc/98/42/20/1185984220.db2.gz HNNHVYYLWKIANE-HOTGVXAUSA-N 0 3 379.501 0.917 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C[C@@H](C)O1 ZINC000581932908 1185994672 /nfs/dbraw/zinc/99/46/72/1185994672.db2.gz UZGHNFIZGCKWTI-INMHGKMJSA-N 0 3 393.536 0.971 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccc(F)c(F)c4)C3=O)CCN2C1=O ZINC000581955179 1186005684 /nfs/dbraw/zinc/00/56/84/1186005684.db2.gz WRGUWYKWZXPJDM-TYNCELHUSA-N 0 3 378.379 0.088 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCCCCc3ccc(F)cc3)CCN2C1=O ZINC000581955323 1186006249 /nfs/dbraw/zinc/00/62/49/1186006249.db2.gz ALJVFFGLCGUOCS-IRXDYDNUSA-N 0 3 390.459 0.425 20 0 GCADHN O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000891750659 1186008258 /nfs/dbraw/zinc/00/82/58/1186008258.db2.gz QJLQPHUDNHUYSD-JENIJYKNSA-N 0 3 393.509 0.736 20 0 GCADHN CCN1C[C@@H](C)N(C(=O)COCC(=O)N2[C@@H](C)CN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC000581967564 1186013302 /nfs/dbraw/zinc/01/33/02/1186013302.db2.gz XGHISZHKPBKCJQ-XLAORIBOSA-N 0 3 382.549 0.885 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000430730519 1186023661 /nfs/dbraw/zinc/02/36/61/1186023661.db2.gz RQOYSHNENVVCFD-SFHVURJKSA-N 0 3 380.533 0.596 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000430730518 1186023912 /nfs/dbraw/zinc/02/39/12/1186023912.db2.gz RQOYSHNENVVCFD-GOSISDBHSA-N 0 3 380.533 0.596 20 0 GCADHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(C(=O)CN3CCCC3)CC1)C2=O ZINC000328932484 1186026539 /nfs/dbraw/zinc/02/65/39/1186026539.db2.gz DLENEMONFPCNBE-UHFFFAOYSA-N 0 3 398.463 0.358 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000430775285 1186028132 /nfs/dbraw/zinc/02/81/32/1186028132.db2.gz JLSNBTMIAOPEQZ-MGPQQGTHSA-N 0 3 377.432 0.832 20 0 GCADHN CCO[C@@H](C)c1noc(CN2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)n1 ZINC000430786989 1186029809 /nfs/dbraw/zinc/02/98/09/1186029809.db2.gz DXZPNHMRXLKLND-GJZGRUSLSA-N 0 3 381.477 0.580 20 0 GCADHN COc1ccc(CN2CCN(C(=O)C[C@H]3CNCCO3)CC2)c(OC)c1OC ZINC000430847932 1186039127 /nfs/dbraw/zinc/03/91/27/1186039127.db2.gz AUIKNBOFZHUFCS-INIZCTEOSA-N 0 3 393.484 0.735 20 0 GCADHN CC[C@@H](O)[C@@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000510629064 1186039163 /nfs/dbraw/zinc/03/91/63/1186039163.db2.gz KJGQRUWXHFMKTK-DLBZAZTESA-N 0 3 383.514 0.618 20 0 GCADHN COCCN(C(=O)CN1CCNCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000430951353 1186064775 /nfs/dbraw/zinc/06/47/75/1186064775.db2.gz VGPXSALXTLCCPJ-INIZCTEOSA-N 0 3 381.498 0.258 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](NCC(=O)Nc3nccs3)C2)C1 ZINC001691250955 1186065949 /nfs/dbraw/zinc/06/59/49/1186065949.db2.gz GHQBMMIJIGZEKN-RFQIPJPRSA-N 0 3 393.513 0.858 20 0 GCADHN CN1CCN(c2cc(CNC(=O)N3CCN(C)CCN(C)CC3)ccn2)CC1 ZINC000891829817 1186069890 /nfs/dbraw/zinc/06/98/90/1186069890.db2.gz JJUWIDUFLRCWOY-UHFFFAOYSA-N 0 3 389.548 0.222 20 0 GCADHN COC(=O)[C@H]1COCCN1C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000610619271 1186083504 /nfs/dbraw/zinc/08/35/04/1186083504.db2.gz ZPCZQNGQIGCZSR-QGZVFWFLSA-N 0 3 399.451 0.578 20 0 GCADHN COc1nn(C)cc1CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000933814811 1186088203 /nfs/dbraw/zinc/08/82/03/1186088203.db2.gz MOOKVNFSEQRFOJ-UHFFFAOYSA-N 0 3 379.486 0.697 20 0 GCADHN CNC(=O)CNC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000276824761 1186094244 /nfs/dbraw/zinc/09/42/44/1186094244.db2.gz PWGIGWVLBYVTCE-UHFFFAOYSA-N 0 3 375.473 0.326 20 0 GCADHN COCc1ccc(CNC(=O)CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000510751200 1186097557 /nfs/dbraw/zinc/09/75/57/1186097557.db2.gz OPPZIAWGTMHXIH-DLBZAZTESA-N 0 3 383.514 0.899 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000510751187 1186097687 /nfs/dbraw/zinc/09/76/87/1186097687.db2.gz OIZNJOBFLHNXAN-SJORKVTESA-N 0 3 398.529 0.374 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)NCCOc1cccc(F)c1 ZINC000510748778 1186098744 /nfs/dbraw/zinc/09/87/44/1186098744.db2.gz JTHXHUVGNDJWIS-HOTGVXAUSA-N 0 3 387.477 0.771 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)CC1=O ZINC000156553277 1186101965 /nfs/dbraw/zinc/10/19/65/1186101965.db2.gz LMLXQPXXURMQOY-HOCLYGCPSA-N 0 3 375.473 0.394 20 0 GCADHN COC(=O)[C@@]1(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CCOC1 ZINC000610670660 1186108898 /nfs/dbraw/zinc/10/88/98/1186108898.db2.gz LCFBWWZPEADZBO-HXUWFJFHSA-N 0 3 399.451 0.626 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510776204 1186109007 /nfs/dbraw/zinc/10/90/07/1186109007.db2.gz HECXIRLWWMRNHO-KFWWJZLASA-N 0 3 389.518 0.381 20 0 GCADHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847099 1186109126 /nfs/dbraw/zinc/10/91/26/1186109126.db2.gz OBANHMZBTYTGPO-HOTGVXAUSA-N 0 3 391.516 0.540 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510776203 1186109137 /nfs/dbraw/zinc/10/91/37/1186109137.db2.gz HECXIRLWWMRNHO-ILXRZTDVSA-N 0 3 389.518 0.381 20 0 GCADHN C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)COC2CNC2)CC1 ZINC000431042251 1186111265 /nfs/dbraw/zinc/11/12/65/1186111265.db2.gz FIMIOYILTXCMGO-GFCCVEGCSA-N 0 3 377.470 0.992 20 0 GCADHN COc1ccc(NC(=O)NC(=O)CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000510783606 1186111421 /nfs/dbraw/zinc/11/14/21/1186111421.db2.gz UEYWZOVYPBGUSR-HUUCEWRRSA-N 0 3 398.485 0.793 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCOCCO)cc(N2CCN(C(C)C)CC2)c1 ZINC000276850583 1186121601 /nfs/dbraw/zinc/12/16/01/1186121601.db2.gz UTRHQDLSVSHQJQ-UHFFFAOYSA-N 0 3 392.500 0.589 20 0 GCADHN CCN1CCN(CCC(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000510820514 1186125050 /nfs/dbraw/zinc/12/50/50/1186125050.db2.gz KKPJXMIGDKLNNA-UHFFFAOYSA-N 0 3 387.528 0.457 20 0 GCADHN C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)CCO)cc1)C1=CCN(C)CC1 ZINC000276912988 1186145063 /nfs/dbraw/zinc/14/50/63/1186145063.db2.gz WRSAIANJFDMDRO-CQSZACIVSA-N 0 3 381.498 0.902 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)CN(C)C(=O)[C@H](C)n3cccn3)C2)CC1 ZINC000610727477 1186151023 /nfs/dbraw/zinc/15/10/23/1186151023.db2.gz PFKPLHUQPUBXMB-ROUUACIJSA-N 0 3 390.532 0.529 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC000548461916 1186151717 /nfs/dbraw/zinc/15/17/17/1186151717.db2.gz MLJYUFSXYVNZAL-UHFFFAOYSA-N 0 3 385.424 0.776 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCC(=O)N1CCCCCCC1 ZINC001266956964 1186161957 /nfs/dbraw/zinc/16/19/57/1186161957.db2.gz VZIFBDSIYBZCJO-VUHPKUFZSA-N 0 3 381.517 0.925 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000891929473 1186166837 /nfs/dbraw/zinc/16/68/37/1186166837.db2.gz OUQULEWSJCRUCK-MSOLQXFVSA-N 0 3 395.548 0.218 20 0 GCADHN CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1CNCC(=O)Nc1nncs1 ZINC001691332712 1186177014 /nfs/dbraw/zinc/17/70/14/1186177014.db2.gz XVCNQXJLHIBJEL-LXTVHRRPSA-N 0 3 393.513 0.976 20 0 GCADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000933950908 1186177608 /nfs/dbraw/zinc/17/76/08/1186177608.db2.gz XWQDPHKPNUXWOC-RDJZCZTQSA-N 0 3 385.472 0.301 20 0 GCADHN CCCN1CCC(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000329007058 1186180272 /nfs/dbraw/zinc/18/02/72/1186180272.db2.gz YDBWFTGICUPAJZ-UHFFFAOYSA-N 0 3 381.458 0.187 20 0 GCADHN O=C(CCS(=O)(=O)C1CCCC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000329008294 1186185270 /nfs/dbraw/zinc/18/52/70/1186185270.db2.gz YRVIWKDJMQGPJH-UHFFFAOYSA-N 0 3 385.530 0.501 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](CNCC(=O)NCC2CC2)C1 ZINC001691363497 1186193849 /nfs/dbraw/zinc/19/38/49/1186193849.db2.gz GMCQGSWCLPXSQA-SORZXXQLSA-N 0 3 393.528 0.781 20 0 GCADHN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@@H]1CN2CCN1CCC2 ZINC000535714756 1186201952 /nfs/dbraw/zinc/20/19/52/1186201952.db2.gz XCXUCJFTWZVPBS-INIZCTEOSA-N 0 3 382.461 0.694 20 0 GCADHN CC(=O)N1CCN(c2ccccc2CNC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000535721177 1186206150 /nfs/dbraw/zinc/20/61/50/1186206150.db2.gz XHILBPNAIJAJDS-HXUWFJFHSA-N 0 3 385.512 0.361 20 0 GCADHN O=C(CN1CC[C@@H](CN2CCOCC2)C1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000129694535 1186207878 /nfs/dbraw/zinc/20/78/78/1186207878.db2.gz HSPJHDNFZWXUOL-SFHVURJKSA-N 0 3 392.544 0.502 20 0 GCADHN CC(C)(C)c1nc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n[nH]1 ZINC001022475788 1186210098 /nfs/dbraw/zinc/21/00/98/1186210098.db2.gz JTUZAYQVPVZTPD-JHZZJYKESA-N 0 3 377.489 0.891 20 0 GCADHN COC(=O)Cc1csc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000610803985 1186224641 /nfs/dbraw/zinc/22/46/41/1186224641.db2.gz DPWUHWPBOPDJTF-ZDUSSCGKSA-N 0 3 395.485 0.629 20 0 GCADHN COC(=O)[C@@H]1CN(C[C@@H](O)CC(C)(C)O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045896 1186225531 /nfs/dbraw/zinc/22/55/31/1186225531.db2.gz KQMSYMZUTQVPJK-KBPBESRZSA-N 0 3 386.489 0.850 20 0 GCADHN Cn1cccc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1=O ZINC000277097375 1186238944 /nfs/dbraw/zinc/23/89/44/1186238944.db2.gz KVLUANCONMCJLK-KRWDZBQOSA-N 0 3 398.463 0.731 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NC[C@H](CO)Cc2ccncc2Cl)CC1=O ZINC000535847343 1186253909 /nfs/dbraw/zinc/25/39/09/1186253909.db2.gz DMSHEJPVZVQPKN-HIFRSBDPSA-N 0 3 382.892 0.412 20 0 GCADHN CC1CCN(CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4C[C@@H](C)CC(=O)N4)C[C@H]32)CC1 ZINC001022515846 1186261293 /nfs/dbraw/zinc/26/12/93/1186261293.db2.gz GUERWMCZOPZMPC-XMTFNYHQSA-N 0 3 390.528 0.692 20 0 GCADHN O=C(COC[C@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001111515473 1186264477 /nfs/dbraw/zinc/26/44/77/1186264477.db2.gz YYWOOHKFZYLPQC-TVFCKZIOSA-N 0 3 379.501 0.916 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H](C[NH2+]Cc2nc(=O)n(C)[n-]2)C1 ZINC001087192189 1186265436 /nfs/dbraw/zinc/26/54/36/1186265436.db2.gz CVSNVNNYSAVKMD-NFPPBLBISA-N 0 3 375.473 0.249 20 0 GCADHN Cc1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H](C)CN1CCOCC1 ZINC001707912823 1186268915 /nfs/dbraw/zinc/26/89/15/1186268915.db2.gz HPDFDHOYYQOUDD-QGZVFWFLSA-N 0 3 392.548 0.856 20 0 GCADHN Cc1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001707913182 1186269558 /nfs/dbraw/zinc/26/95/58/1186269558.db2.gz UHCIKJVWQRYEAV-UHFFFAOYSA-N 0 3 386.500 0.943 20 0 GCADHN COCCNC(=O)C1(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000458344192 1186273382 /nfs/dbraw/zinc/27/33/82/1186273382.db2.gz JRVDNGOOXUWBGV-UHFFFAOYSA-N 0 3 388.512 0.919 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)Nc1cnns1 ZINC000277199271 1186292895 /nfs/dbraw/zinc/29/28/95/1186292895.db2.gz WQCUDPVLDOIXMN-CQSZACIVSA-N 0 3 375.454 0.884 20 0 GCADHN CCOC(=O)[C@@H]1NC(=O)N(Cc2ccccc2CN2CCC(O)CC2)C1=O ZINC000277218044 1186296826 /nfs/dbraw/zinc/29/68/26/1186296826.db2.gz LEYFATKNKSTJBN-MRXNPFEDSA-N 0 3 375.425 0.627 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000431279722 1186311057 /nfs/dbraw/zinc/31/10/57/1186311057.db2.gz HAUROLMEWMZPMC-DLBZAZTESA-N 0 3 388.578 0.726 20 0 GCADHN CCc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cnn1-c1ccccc1OC ZINC000582014093 1186315450 /nfs/dbraw/zinc/31/54/50/1186315450.db2.gz HDYQQZWVDOIWOB-HIFRSBDPSA-N 0 3 383.452 0.827 20 0 GCADHN CCc1nnc2n1C[C@H](NC(=O)N1CC[C@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000611563551 1186318216 /nfs/dbraw/zinc/31/82/16/1186318216.db2.gz GWLBHNDHXPXIHA-SJORKVTESA-N 0 3 389.548 0.965 20 0 GCADHN Cc1nc(C)n(CCN(C)[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n1 ZINC000971996602 1186321628 /nfs/dbraw/zinc/32/16/28/1186321628.db2.gz FXWMUZTUAAUCPH-XWTMOSNGSA-N 0 3 377.489 0.479 20 0 GCADHN Cc1nnc2n1C[C@@H](NC(=O)N1CC[C@@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000611563723 1186327341 /nfs/dbraw/zinc/32/73/41/1186327341.db2.gz QAEREWYDEAXVOV-DLBZAZTESA-N 0 3 375.521 0.711 20 0 GCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000892084268 1186334162 /nfs/dbraw/zinc/33/41/62/1186334162.db2.gz MLKAYAWRYDJXFJ-IRXDYDNUSA-N 0 3 380.514 0.984 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(F)c(F)c2)CC1 ZINC000103530796 1186335026 /nfs/dbraw/zinc/33/50/26/1186335026.db2.gz PZMWGZVAMVAUHF-UHFFFAOYSA-N 0 3 396.438 0.707 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000472088896 1186338462 /nfs/dbraw/zinc/33/84/62/1186338462.db2.gz PSKSTQLGVQWQHM-FQEVSTJZSA-N 0 3 379.501 0.913 20 0 GCADHN Cn1nnnc1SCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000536431798 1186342272 /nfs/dbraw/zinc/34/22/72/1186342272.db2.gz DWQDQMOXTPZKNK-HZPDHXFCSA-N 0 3 390.513 0.692 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCS(=O)(=O)CC2)c1 ZINC000511037484 1186343492 /nfs/dbraw/zinc/34/34/92/1186343492.db2.gz ZYKXVPGKBYUGNJ-UHFFFAOYSA-N 0 3 399.513 0.584 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@](C)(O)CN1c2ccccc2C(C)(C)C1=O ZINC000277357947 1186346005 /nfs/dbraw/zinc/34/60/05/1186346005.db2.gz ONAUKVSYVXIWPG-FQEVSTJZSA-N 0 3 377.485 0.492 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccccc1OCC(=O)N(C)C ZINC000472097273 1186346227 /nfs/dbraw/zinc/34/62/27/1186346227.db2.gz WKRZVUAXMGNAJT-INIZCTEOSA-N 0 3 376.501 0.909 20 0 GCADHN CNC(=O)COc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1OC ZINC000472104054 1186353822 /nfs/dbraw/zinc/35/38/22/1186353822.db2.gz MSBIEXHPZCKKCO-OAHLLOKOSA-N 0 3 392.500 0.576 20 0 GCADHN NC(=O)[C@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000277391246 1186358108 /nfs/dbraw/zinc/35/81/08/1186358108.db2.gz DPWZNCSSMCMGON-IAGOWNOFSA-N 0 3 376.457 0.173 20 0 GCADHN CN1CCN(C)CCN(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 ZINC000892125978 1186358161 /nfs/dbraw/zinc/35/81/61/1186358161.db2.gz SOLWIGYQWGZPOU-UHFFFAOYSA-N 0 3 389.544 0.908 20 0 GCADHN COc1cc(CNCCNC(=O)C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000025359389 1186358374 /nfs/dbraw/zinc/35/83/74/1186358374.db2.gz CGMPWUYNEIRPCY-UHFFFAOYSA-N 0 3 391.468 0.549 20 0 GCADHN COc1ccc(Cn2ccc(NC(=O)C(=O)NCCN3CC[C@H](C)C3)n2)cc1 ZINC000548631361 1186359128 /nfs/dbraw/zinc/35/91/28/1186359128.db2.gz UIZNNOXPFIQUTB-HNNXBMFYSA-N 0 3 385.468 1.337 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@H]2CCCC[C@@H]12 ZINC000582021397 1186372727 /nfs/dbraw/zinc/37/27/27/1186372727.db2.gz JIQLCGZDXAJBNI-QYZOEREBSA-N 0 3 394.560 0.530 20 0 GCADHN CON(C)S(=O)(=O)c1cccc(C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000106156676 1186377761 /nfs/dbraw/zinc/37/77/61/1186377761.db2.gz RZSQXJHOTJNBOU-UHFFFAOYSA-N 0 3 398.529 0.626 20 0 GCADHN CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000934254605 1186380137 /nfs/dbraw/zinc/38/01/37/1186380137.db2.gz YGZAQIIFALYURZ-IAGOWNOFSA-N 0 3 381.498 0.560 20 0 GCADHN CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000934254607 1186380645 /nfs/dbraw/zinc/38/06/45/1186380645.db2.gz YGZAQIIFALYURZ-IRXDYDNUSA-N 0 3 381.498 0.560 20 0 GCADHN NC(=O)CSc1ccccc1NC(=O)CN1CC[C@H]2[C@H]1CCCN2CCO ZINC000934254336 1186382002 /nfs/dbraw/zinc/38/20/02/1186382002.db2.gz JKYZLJNBHMGUBA-CVEARBPZSA-N 0 3 392.525 0.734 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@H]1NCCc2ccccc21 ZINC000582051974 1186382158 /nfs/dbraw/zinc/38/21/58/1186382158.db2.gz YSGWJJWYWISNJG-MRXNPFEDSA-N 0 3 398.554 0.551 20 0 GCADHN Cc1nn(C)c(C)c1CN1CCN(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106386716 1186382214 /nfs/dbraw/zinc/38/22/14/1186382214.db2.gz CSQQXGGYJJWDKF-JTDSTZFVSA-N 0 3 379.549 0.625 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000277449641 1186387486 /nfs/dbraw/zinc/38/74/86/1186387486.db2.gz KFMQDAKCSYZOCU-ZWKOTPCHSA-N 0 3 390.484 0.434 20 0 GCADHN COCCOc1ccc(CNC(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934261213 1186388439 /nfs/dbraw/zinc/38/84/39/1186388439.db2.gz PVEWWLRRRQANBM-VQTJNVASSA-N 0 3 391.512 0.859 20 0 GCADHN CN1C(=O)c2ccc(NC(=O)CN3CC[C@H]4[C@H]3CCCN4CCO)cc2C1=O ZINC000934265868 1186394224 /nfs/dbraw/zinc/39/42/24/1186394224.db2.gz XNJDYHZHSJQQIK-SJORKVTESA-N 0 3 386.452 0.382 20 0 GCADHN C[C@@H](CNC(=O)NCc1cccnc1N1CCN(C)CC1)CN1CCOCC1 ZINC000157892649 1186400426 /nfs/dbraw/zinc/40/04/26/1186400426.db2.gz VWFWWIVZHVOLQC-KRWDZBQOSA-N 0 3 390.532 0.601 20 0 GCADHN CCN1CCN(C(=O)NCCCCN2CCN(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000548672141 1186407329 /nfs/dbraw/zinc/40/73/29/1186407329.db2.gz USDLVFZTDPCSLY-KRWDZBQOSA-N 0 3 377.537 0.826 20 0 GCADHN COC1CCN(CCNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 ZINC000934303501 1186424102 /nfs/dbraw/zinc/42/41/02/1186424102.db2.gz DNLDQKYXHSMCLV-HNNXBMFYSA-N 0 3 398.504 0.291 20 0 GCADHN CCOCCOc1cc(C)ccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582193026 1186460425 /nfs/dbraw/zinc/46/04/25/1186460425.db2.gz DUZSMPIZBDGDIB-IAGOWNOFSA-N 0 3 390.484 0.864 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(OC)c(C)c(OC)c2)CC1=O ZINC000582196925 1186461618 /nfs/dbraw/zinc/46/16/18/1186461618.db2.gz BANWBVUXDPXZCR-INIZCTEOSA-N 0 3 393.484 0.921 20 0 GCADHN O=C1C[C@H](NCc2ccc(O[C@H]3CCOC3)cc2)CN1CCN1CCOCC1 ZINC000657368483 1186468188 /nfs/dbraw/zinc/46/81/88/1186468188.db2.gz XMNGTRHWEQOBFE-ICSRJNTNSA-N 0 3 389.496 0.877 20 0 GCADHN O=C(C(=O)N1CCN(C(=O)C2CCCCC2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000582227438 1186470173 /nfs/dbraw/zinc/47/01/73/1186470173.db2.gz ZKBRJCMQDFBWJC-SFHVURJKSA-N 0 3 390.528 0.934 20 0 GCADHN CCC[C@H](CCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582253174 1186475420 /nfs/dbraw/zinc/47/54/20/1186475420.db2.gz NRMHWOSDEBLFPP-SQNIBIBYSA-N 0 3 386.496 0.675 20 0 GCADHN CCC[C@H](CCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582253173 1186475517 /nfs/dbraw/zinc/47/55/17/1186475517.db2.gz NRMHWOSDEBLFPP-KZNAEPCWSA-N 0 3 386.496 0.675 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4ccccn4)cc3)CCN2C1=O ZINC000582252863 1186477234 /nfs/dbraw/zinc/47/72/34/1186477234.db2.gz USWQDJAVYCBAAH-CVEARBPZSA-N 0 3 379.420 0.458 20 0 GCADHN COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N[C@H]1CCC(=O)NC1=O ZINC001167559628 1186482365 /nfs/dbraw/zinc/48/23/65/1186482365.db2.gz JDHMRPIPVPEFCE-JSGCOSHPSA-N 0 3 392.456 0.404 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCC(CS(C)(=O)=O)CC1 ZINC000889122811 1186486357 /nfs/dbraw/zinc/48/63/57/1186486357.db2.gz YCIFNCHJMQUPLN-NFOMZHRRSA-N 0 3 388.534 0.351 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 ZINC000582297032 1186491183 /nfs/dbraw/zinc/49/11/83/1186491183.db2.gz JOIIEOQQRAZWEV-BFYDXBDKSA-N 0 3 385.530 0.497 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000582311996 1186493353 /nfs/dbraw/zinc/49/33/53/1186493353.db2.gz GCSXXAQFTQVHKK-STQMWFEESA-N 0 3 384.358 0.206 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000582348191 1186500416 /nfs/dbraw/zinc/50/04/16/1186500416.db2.gz RLXYATLUNDJSJS-CABCVRRESA-N 0 3 383.470 0.749 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCCCN1CCN(C)CC1)N(C)c1ccccc1 ZINC000582374400 1186506748 /nfs/dbraw/zinc/50/67/48/1186506748.db2.gz OBAOAHBOJCSEQE-GOSISDBHSA-N 0 3 389.544 0.771 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)CCN2C1=O ZINC000582371736 1186507501 /nfs/dbraw/zinc/50/75/01/1186507501.db2.gz KUQYHVRGULISTF-IINYFYTJSA-N 0 3 399.278 0.423 20 0 GCADHN CN(CCNC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc21)Cc1ccccc1 ZINC000065541648 1186507859 /nfs/dbraw/zinc/50/78/59/1186507859.db2.gz JDQUZKXBJMOWAZ-UHFFFAOYSA-N 0 3 394.435 0.999 20 0 GCADHN CCOC(=O)c1c(F)cccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000611593770 1186510100 /nfs/dbraw/zinc/51/01/00/1186510100.db2.gz TVLGHHUFSPAUNG-UHFFFAOYSA-N 0 3 394.447 0.695 20 0 GCADHN O=C(NCCN1C(=O)c2ccccc2C1=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892260000 1186524575 /nfs/dbraw/zinc/52/45/75/1186524575.db2.gz GEERQFMAXANELC-DLBZAZTESA-N 0 3 386.452 0.523 20 0 GCADHN CC(C)C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CCO1 ZINC000560015030 1186529416 /nfs/dbraw/zinc/52/94/16/1186529416.db2.gz AUTRCQFIABBJLD-OKZBNKHCSA-N 0 3 382.549 0.696 20 0 GCADHN COc1ccc(OC)c(CCNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000582435022 1186530924 /nfs/dbraw/zinc/53/09/24/1186530924.db2.gz UKAJHUGBSDYJJH-IBGZPJMESA-N 0 3 395.525 0.916 20 0 GCADHN O=C(NCCN1CCCS1(=O)=O)N1CCCN(Cc2ccccc2)CC1 ZINC000127664348 1186534099 /nfs/dbraw/zinc/53/40/99/1186534099.db2.gz CERDIFQQOMJWHP-UHFFFAOYSA-N 0 3 380.514 0.939 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@]2(CCCOC2)O1 ZINC000582472527 1186545705 /nfs/dbraw/zinc/54/57/05/1186545705.db2.gz MROJKCUOKKJBFG-UWVAXJGDSA-N 0 3 379.501 0.870 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1C ZINC000367405299 1186546368 /nfs/dbraw/zinc/54/63/68/1186546368.db2.gz TYBCUHSNKCWZKC-KGLIPLIRSA-N 0 3 382.486 0.888 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000375712038 1186552204 /nfs/dbraw/zinc/55/22/04/1186552204.db2.gz VBEBOUGKXKWRGT-OWCLPIDISA-N 0 3 383.489 0.992 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000413495717 1186552359 /nfs/dbraw/zinc/55/23/59/1186552359.db2.gz JNXDSDOTUXAVTR-JTQLQIEISA-N 0 3 395.403 0.894 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1 ZINC000152604835 1186552729 /nfs/dbraw/zinc/55/27/29/1186552729.db2.gz HQIXXAHOWNDNOC-MRXNPFEDSA-N 0 3 392.887 0.835 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccc(-n3cccn3)c2)CC1=O ZINC000582502553 1186553624 /nfs/dbraw/zinc/55/36/24/1186553624.db2.gz FVWXNYZQDLSUKQ-QGZVFWFLSA-N 0 3 385.468 0.781 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCNC(C)=O)c(C)c2)CC1 ZINC000048736807 1186557106 /nfs/dbraw/zinc/55/71/06/1186557106.db2.gz POXXYWPMIGMWOE-UHFFFAOYSA-N 0 3 375.473 0.328 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)[C@H](C)C1 ZINC000582563420 1186567708 /nfs/dbraw/zinc/56/77/08/1186567708.db2.gz XCRQJJUTSYIDAL-IAGOWNOFSA-N 0 3 396.532 0.319 20 0 GCADHN CN(C)C(=O)N1CCC(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000159349152 1186571473 /nfs/dbraw/zinc/57/14/73/1186571473.db2.gz SVEGCOXPNZQAOZ-IBGZPJMESA-N 0 3 388.512 0.915 20 0 GCADHN O=C(CCN1CCC(O)(CN2CCOCC2)CC1)NCC(=O)c1ccccc1 ZINC000511166772 1186572286 /nfs/dbraw/zinc/57/22/86/1186572286.db2.gz CPRYRVGIVSMNGP-UHFFFAOYSA-N 0 3 389.496 0.535 20 0 GCADHN COC(=O)[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)cc1 ZINC000277714797 1186575742 /nfs/dbraw/zinc/57/57/42/1186575742.db2.gz XOXAVINQCNIPHT-GOEBONIOSA-N 0 3 379.432 0.609 20 0 GCADHN Cn1nc(CCNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)c2ccccc21 ZINC000611632752 1186576842 /nfs/dbraw/zinc/57/68/42/1186576842.db2.gz WDSLLAPIFHPHRU-INIZCTEOSA-N 0 3 399.495 0.602 20 0 GCADHN CCOC(=O)c1cc(NC(=O)N2CCN(C)C[C@@H]2CN)cc(S(C)(=O)=O)c1 ZINC000582593846 1186578314 /nfs/dbraw/zinc/57/83/14/1186578314.db2.gz NKFNYXSQEGZWTF-AWEZNQCLSA-N 0 3 398.485 0.373 20 0 GCADHN Cn1cc(CNC[C@@H]2CCCNC2=O)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657490367 1186582837 /nfs/dbraw/zinc/58/28/37/1186582837.db2.gz KTHQBSAOHHKWNL-ZDUSSCGKSA-N 0 3 381.436 0.832 20 0 GCADHN CCn1c2ccccc2n(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1=O ZINC000152881330 1186585563 /nfs/dbraw/zinc/58/55/63/1186585563.db2.gz BSIMPHZWGQDXKA-GOSISDBHSA-N 0 3 399.495 0.588 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)Nc3ccc(Cl)c(N4CCNC4=O)c3)CCN2C1=O ZINC000582618378 1186587284 /nfs/dbraw/zinc/58/72/84/1186587284.db2.gz ZMHXHVRFMWQARJ-AAEUAGOBSA-N 0 3 392.847 0.645 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)Cc1ccccc1 ZINC000611667283 1186590074 /nfs/dbraw/zinc/59/00/74/1186590074.db2.gz YHHNXDSNDRNQOA-IRXDYDNUSA-N 0 3 382.530 0.883 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000611678926 1186597737 /nfs/dbraw/zinc/59/77/37/1186597737.db2.gz UPDYDZWHNOEALE-DLBZAZTESA-N 0 3 380.514 0.984 20 0 GCADHN O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000892276564 1186598058 /nfs/dbraw/zinc/59/80/58/1186598058.db2.gz HJJCOSYVXPXMNA-SJORKVTESA-N 0 3 392.467 0.717 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCC(=O)N2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000582660280 1186601715 /nfs/dbraw/zinc/60/17/15/1186601715.db2.gz DEERJGFLJHWESC-WSTZPKSXSA-N 0 3 390.528 0.395 20 0 GCADHN NC(=O)Cn1cc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000152966646 1186604465 /nfs/dbraw/zinc/60/44/65/1186604465.db2.gz IIQJMMUVRFVVGY-OAHLLOKOSA-N 0 3 394.439 0.659 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)CCN2C1=O ZINC000563437636 1186612536 /nfs/dbraw/zinc/61/25/36/1186612536.db2.gz AYWQYQBHDCFMHW-PWSUYJOCSA-N 0 3 394.357 0.670 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)CCN2C1=O ZINC000563437625 1186612551 /nfs/dbraw/zinc/61/25/51/1186612551.db2.gz AYWQYQBHDCFMHW-CMPLNLGQSA-N 0 3 394.357 0.670 20 0 GCADHN CC(C)[C@H](C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)N(C)C ZINC000116817652 1186613379 /nfs/dbraw/zinc/61/33/79/1186613379.db2.gz IQQMLTYHNSNWFJ-GOSISDBHSA-N 0 3 396.557 0.825 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)CCn3c(=O)oc4cc(Cl)ccc43)CCN2C1=O ZINC000563440689 1186615373 /nfs/dbraw/zinc/61/53/73/1186615373.db2.gz JKHREXHWETVNQR-RYUDHWBXSA-N 0 3 378.816 0.408 20 0 GCADHN C[C@H]1CSC[C@@H]1NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000560485657 1186617930 /nfs/dbraw/zinc/61/79/30/1186617930.db2.gz ITDYTKDFVICADO-BBRMVZONSA-N 0 3 399.538 0.987 20 0 GCADHN N[C@H]1C[C@@H]2CN(CC(=O)NCc3ccccc3OC3CCCC3)CCN2C1=O ZINC000563442765 1186618283 /nfs/dbraw/zinc/61/82/83/1186618283.db2.gz UABDIVGLTRWBSE-AEFFLSMTSA-N 0 3 386.496 0.868 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N3CC(N4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000650628012 1186625690 /nfs/dbraw/zinc/62/56/90/1186625690.db2.gz IEUMECSJZQYREZ-HXUWFJFHSA-N 0 3 387.528 0.394 20 0 GCADHN Cc1cc(-n2cncn2)ccc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000153127498 1186626419 /nfs/dbraw/zinc/62/64/19/1186626419.db2.gz OZDCXVFTOIHKKE-GOSISDBHSA-N 0 3 382.468 0.954 20 0 GCADHN Cn1cc([C@@H]2CN(C[C@H](O)CN3C(=O)c4ccccc4C3=O)C[C@H]2CO)cn1 ZINC000277834531 1186628931 /nfs/dbraw/zinc/62/89/31/1186628931.db2.gz RTXBTKKGJUKFSH-MPGHIAIKSA-N 0 3 384.436 0.085 20 0 GCADHN CNC(=O)NC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001267171107 1186629187 /nfs/dbraw/zinc/62/91/87/1186629187.db2.gz CTHYAGMVRWBNCT-QSJFSLAZSA-N 0 3 380.489 0.618 20 0 GCADHN O=C(CN1CCC[C@@H]1CCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC1 ZINC001267171856 1186630661 /nfs/dbraw/zinc/63/06/61/1186630661.db2.gz POITWJYSHZEYPI-LSTDLKDCSA-N 0 3 379.501 0.631 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccn3cc(C)nc3c2)CC1 ZINC000657578355 1186641850 /nfs/dbraw/zinc/64/18/50/1186641850.db2.gz RKEDHJDIVQHVGS-OAHLLOKOSA-N 0 3 386.500 0.971 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)CNS(=O)(=O)c2ccccc2)CC1 ZINC000564494083 1186660073 /nfs/dbraw/zinc/66/00/73/1186660073.db2.gz BXDRRDQONWHEAD-INIZCTEOSA-N 0 3 382.530 0.355 20 0 GCADHN O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NC[C@@H]1NCCc2ccccc21 ZINC000582784136 1186669444 /nfs/dbraw/zinc/66/94/44/1186669444.db2.gz IQLHCZCOQXXQTF-HNNXBMFYSA-N 0 3 394.435 1.385 20 0 GCADHN O=C(Nc1cncc(OCC(F)(F)F)n1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000657630154 1186671851 /nfs/dbraw/zinc/67/18/51/1186671851.db2.gz VRNIOXCLWASIHK-LLVKDONJSA-N 0 3 387.362 0.957 20 0 GCADHN CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)ccn1 ZINC000582792598 1186678420 /nfs/dbraw/zinc/67/84/20/1186678420.db2.gz QFQFSKLBYUJHDF-AEFFLSMTSA-N 0 3 387.484 0.201 20 0 GCADHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)N2CCOCC2)CC1 ZINC000119980376 1186702067 /nfs/dbraw/zinc/70/20/67/1186702067.db2.gz GTLHZQFBOYOYOL-UHFFFAOYSA-N 0 3 382.530 0.491 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2ccnc(OCCO)c2)Cc2ccccc2C1 ZINC000657675562 1186712844 /nfs/dbraw/zinc/71/28/44/1186712844.db2.gz CLNXCQHNWSPEIL-UHFFFAOYSA-N 0 3 398.463 0.607 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCN3c3ncnc4sccc43)CCN2C1=O ZINC000582857738 1186714083 /nfs/dbraw/zinc/71/40/83/1186714083.db2.gz YNNRXWGFBRJFAY-IACUBPJLSA-N 0 3 386.481 0.431 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)cc1 ZINC000237741685 1186717232 /nfs/dbraw/zinc/71/72/32/1186717232.db2.gz XNSGAOUSABXJFQ-QGZVFWFLSA-N 0 3 396.557 0.791 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1CCNCC(=O)Nc1cnccn1 ZINC001104434449 1186730040 /nfs/dbraw/zinc/73/00/40/1186730040.db2.gz INPOAAYFTXZHBY-SGPSVCNZSA-N 0 3 399.495 0.913 20 0 GCADHN C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000582922391 1186730480 /nfs/dbraw/zinc/73/04/80/1186730480.db2.gz VVRGRIXNCFVWJW-OAGGEKHMSA-N 0 3 392.504 0.131 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)CCSC1 ZINC000657700302 1186731561 /nfs/dbraw/zinc/73/15/61/1186731561.db2.gz VYNDISNXQWGPLH-SFHVURJKSA-N 0 3 376.482 0.465 20 0 GCADHN CCC(CC)[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N1CCOCC1 ZINC000152620611 1186739329 /nfs/dbraw/zinc/73/93/29/1186739329.db2.gz LIONOTYJLNZBJN-RTBURBONSA-N 0 3 394.560 0.888 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)CCN2C1=O ZINC000582974928 1186740212 /nfs/dbraw/zinc/74/02/12/1186740212.db2.gz BPAPIHOOBYVGFN-RRFJBIMHSA-N 0 3 391.859 0.399 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)CCN2C1=O ZINC000582974927 1186740318 /nfs/dbraw/zinc/74/03/18/1186740318.db2.gz BPAPIHOOBYVGFN-RBSFLKMASA-N 0 3 391.859 0.399 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)CCC2CCN(C(C)=O)CC2)CC1=O ZINC000582980761 1186741087 /nfs/dbraw/zinc/74/10/87/1186741087.db2.gz GURHQHJDLMAEOI-SFHVURJKSA-N 0 3 396.532 0.320 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000162219604 1186746423 /nfs/dbraw/zinc/74/64/23/1186746423.db2.gz ZMUIWFPWNRCQCU-GOSISDBHSA-N 0 3 384.480 0.911 20 0 GCADHN Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000583018923 1186748600 /nfs/dbraw/zinc/74/86/00/1186748600.db2.gz LXCBWBUMORAGTI-GFCCVEGCSA-N 0 3 387.406 0.967 20 0 GCADHN O=C(C[C@@H]1CSCC[NH2+]1)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000583022655 1186750177 /nfs/dbraw/zinc/75/01/77/1186750177.db2.gz WEENPPCTUJKRAP-SECBINFHSA-N 0 3 377.426 0.191 20 0 GCADHN C[C@@H]1CN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CCN1CC(C)(C)O ZINC000780503627 1186751908 /nfs/dbraw/zinc/75/19/08/1186751908.db2.gz MFUUTCFWNZPCMQ-OAHLLOKOSA-N 0 3 388.468 0.712 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000278054891 1186761111 /nfs/dbraw/zinc/76/11/11/1186761111.db2.gz DTTFGADPROXYHH-HHXXYDBFSA-N 0 3 397.468 0.559 20 0 GCADHN COCCn1cc(CNC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cn1 ZINC000685078367 1186768991 /nfs/dbraw/zinc/76/89/91/1186768991.db2.gz CHRBPFSOHLWHFI-IBGZPJMESA-N 0 3 399.495 0.879 20 0 GCADHN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000583095463 1186769763 /nfs/dbraw/zinc/76/97/63/1186769763.db2.gz KNEHWDKAHQBDHB-RISCZKNCSA-N 0 3 379.848 0.818 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2csc(NC(C)=O)n2)CC1=O ZINC000583135894 1186778360 /nfs/dbraw/zinc/77/83/60/1186778360.db2.gz USIVYWYOPHPQKB-LBPRGKRZSA-N 0 3 383.474 0.010 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)[C@@H](C)CN1 ZINC000583134014 1186779508 /nfs/dbraw/zinc/77/95/08/1186779508.db2.gz KBFPUCIQWALHTM-ZIFCJYIRSA-N 0 3 387.528 0.300 20 0 GCADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000611749890 1186782600 /nfs/dbraw/zinc/78/26/00/1186782600.db2.gz DNUWRJWZBOLCPT-AWEZNQCLSA-N 0 3 379.505 0.844 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)CCN2C1=O ZINC000583155259 1186783777 /nfs/dbraw/zinc/78/37/77/1186783777.db2.gz URFGKLFMKNXYBL-TVFCKZIOSA-N 0 3 384.480 0.599 20 0 GCADHN COc1cccc(CNC(=O)[C@H](C)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000162598811 1186785215 /nfs/dbraw/zinc/78/52/15/1186785215.db2.gz VLUWVXDTHADYQX-LPHOPBHVSA-N 0 3 388.512 0.938 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(C(C)(C)C)C3)CC2)n[nH]1 ZINC000611751823 1186787729 /nfs/dbraw/zinc/78/77/29/1186787729.db2.gz RVMCNTULKPNFRQ-HNNXBMFYSA-N 0 3 376.505 0.792 20 0 GCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000427048122 1186789362 /nfs/dbraw/zinc/78/93/62/1186789362.db2.gz BIFFFQFDDIGSAN-GFCCVEGCSA-N 0 3 398.485 0.415 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000162643127 1186790121 /nfs/dbraw/zinc/79/01/21/1186790121.db2.gz AXFPSVAIDWZBRG-QGZVFWFLSA-N 0 3 380.514 0.203 20 0 GCADHN O=C(CCNC(=O)OCC(F)(F)F)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728552130 1186792136 /nfs/dbraw/zinc/79/21/36/1186792136.db2.gz CGKUZLBNHZOQNH-UHFFFAOYSA-N 0 3 394.394 0.432 20 0 GCADHN CCOC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000728551978 1186792561 /nfs/dbraw/zinc/79/25/61/1186792561.db2.gz PPMZEIZZXJQDIB-MRXNPFEDSA-N 0 3 380.489 0.622 20 0 GCADHN C[C@@H](CN[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)S(C)(=O)=O ZINC000583199443 1186793684 /nfs/dbraw/zinc/79/36/84/1186793684.db2.gz OUZKYVGDETULAR-LSDHHAIUSA-N 0 3 383.518 0.305 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000583198033 1186793990 /nfs/dbraw/zinc/79/39/90/1186793990.db2.gz ASZYZBFPICXMCX-UHFFFAOYSA-N 0 3 378.860 0.446 20 0 GCADHN C[C@@H]1CC(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC000583219987 1186798919 /nfs/dbraw/zinc/79/89/19/1186798919.db2.gz CSSIVFGEVBXZIL-IIAWOOMASA-N 0 3 382.505 0.118 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)C1CCOCC1 ZINC000583224867 1186801542 /nfs/dbraw/zinc/80/15/42/1186801542.db2.gz USRHEEWESFMQDO-OALUTQOASA-N 0 3 394.560 0.935 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN([C@H](C)C(F)(F)F)CC1)C1=CCN(C)CC1 ZINC000561396314 1186812441 /nfs/dbraw/zinc/81/24/41/1186812441.db2.gz YZIWNZKEPVEDKJ-CHWSQXEVSA-N 0 3 376.423 0.848 20 0 GCADHN Cn1c(C(=O)NC[C@@H]2NCCc3ccccc32)cc2c1n(C)c(=O)n(C)c2=O ZINC000583264402 1186812886 /nfs/dbraw/zinc/81/28/86/1186812886.db2.gz LISNIXYEUZHLPQ-HNNXBMFYSA-N 0 3 381.436 0.193 20 0 GCADHN CO[C@]1(C)CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000583279793 1186816047 /nfs/dbraw/zinc/81/60/47/1186816047.db2.gz PWVYVZLVBKZXSP-DNVCBOLYSA-N 0 3 382.505 0.073 20 0 GCADHN CCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@@](C)(O)CCOC ZINC001709092005 1186821251 /nfs/dbraw/zinc/82/12/51/1186821251.db2.gz MKIIYCVIRJMARZ-PXNSSMCTSA-N 0 3 394.564 0.844 20 0 GCADHN CN(C)[C@H](CNC(=O)CNS(=O)(=O)c1cccnc1)Cc1ccccc1 ZINC000569627436 1186823944 /nfs/dbraw/zinc/82/39/44/1186823944.db2.gz PBLBUXRCXADSAG-INIZCTEOSA-N 0 3 376.482 0.649 20 0 GCADHN CCOc1cc(Cl)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583333864 1186828657 /nfs/dbraw/zinc/82/86/57/1186828657.db2.gz IGFTXVBLPUOPNY-KBPBESRZSA-N 0 3 394.859 0.125 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCCCCN2CCN(C)CC2)cnc1C ZINC000583357562 1186834794 /nfs/dbraw/zinc/83/47/94/1186834794.db2.gz ARLPKVLKYNKCRN-UHFFFAOYSA-N 0 3 384.502 0.483 20 0 GCADHN CCN1CCN(CC(=O)NCC2(N3CCSCC3)CCCC2)C(=O)C1=O ZINC000048975080 1186835381 /nfs/dbraw/zinc/83/53/81/1186835381.db2.gz SLFXGZCTPQZHDV-UHFFFAOYSA-N 0 3 382.530 0.155 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)no1 ZINC000583367430 1186837113 /nfs/dbraw/zinc/83/71/13/1186837113.db2.gz FWDVUMZZNCFTCT-KRWDZBQOSA-N 0 3 375.473 0.324 20 0 GCADHN CC(C)NS(=O)(=O)c1cccnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000278230529 1186841029 /nfs/dbraw/zinc/84/10/29/1186841029.db2.gz SQNUKCWVARXCCV-HNNXBMFYSA-N 0 3 395.529 0.511 20 0 GCADHN COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1=O ZINC000458540565 1186861976 /nfs/dbraw/zinc/86/19/76/1186861976.db2.gz RKDYCDZZNUZKLG-JKSUJKDBSA-N 0 3 390.484 0.947 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)N(CCN(C)C)CC(C)C)CC2)n[nH]1 ZINC000583526371 1186879244 /nfs/dbraw/zinc/87/92/44/1186879244.db2.gz IQWCSIWPZKBVQE-UHFFFAOYSA-N 0 3 378.521 0.849 20 0 GCADHN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000278330880 1186892143 /nfs/dbraw/zinc/89/21/43/1186892143.db2.gz GIXVIUYCOJUKPX-OKILXGFUSA-N 0 3 382.438 0.442 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685167260 1186898352 /nfs/dbraw/zinc/89/83/52/1186898352.db2.gz CBGLEUVMBQTILC-GDBMZVCRSA-N 0 3 392.504 0.076 20 0 GCADHN CC(C)CN1CCC[C@@H](CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 ZINC000163265674 1186898623 /nfs/dbraw/zinc/89/86/23/1186898623.db2.gz TURTWDDZQSERMD-HNNXBMFYSA-N 0 3 380.514 0.968 20 0 GCADHN CN(C)Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1Cl ZINC000563727963 1186900284 /nfs/dbraw/zinc/90/02/84/1186900284.db2.gz ADZBEXXHBDZHQV-ZFWWWQNUSA-N 0 3 393.875 0.111 20 0 GCADHN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000278350324 1186904032 /nfs/dbraw/zinc/90/40/32/1186904032.db2.gz XCCNUOOGDVXDRC-HNNXBMFYSA-N 0 3 397.545 0.468 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685175516 1186909573 /nfs/dbraw/zinc/90/95/73/1186909573.db2.gz MKOOIMGLTPLVSB-SQWLQELKSA-N 0 3 390.488 0.021 20 0 GCADHN CCOc1ccc(C(=O)NCC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000583693000 1186918550 /nfs/dbraw/zinc/91/85/50/1186918550.db2.gz TZWBDLHVAZGERL-MRXNPFEDSA-N 0 3 386.456 0.729 20 0 GCADHN NC(=O)CSc1ccccc1NC(=O)CN[C@@H]1CCC(=O)NC12CCC2 ZINC000583740710 1186929177 /nfs/dbraw/zinc/92/91/77/1186929177.db2.gz MFBZCSZENWGEGX-CQSZACIVSA-N 0 3 376.482 0.993 20 0 GCADHN C[C@@H]1CN(C(=O)NCc2nc(COc3ccccc3)n[nH]2)C[C@H](C)N1CCO ZINC000458665943 1186934115 /nfs/dbraw/zinc/93/41/15/1186934115.db2.gz IPOFTWMGXHWNDN-GASCZTMLSA-N 0 3 388.472 0.980 20 0 GCADHN C[C@H](OCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1 ZINC000583764261 1186934696 /nfs/dbraw/zinc/93/46/96/1186934696.db2.gz CSPFEAUKLFPDSB-USXIJHARSA-N 0 3 388.468 0.041 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2C[C@H](O)[C@H](CO)C2)CC1 ZINC000583797113 1186940810 /nfs/dbraw/zinc/94/08/10/1186940810.db2.gz GPDLNHBLLDDGOL-OALUTQOASA-N 0 3 376.501 0.319 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 ZINC000583811563 1186943309 /nfs/dbraw/zinc/94/33/09/1186943309.db2.gz JMAZYXJYMJAIOP-HNNXBMFYSA-N 0 3 376.438 0.023 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)NC[C@H]2CCCCN2CCO)C1=O ZINC000458690562 1186946581 /nfs/dbraw/zinc/94/65/81/1186946581.db2.gz LJGYKRFOYWBZHO-CVEARBPZSA-N 0 3 392.504 0.544 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000685214760 1186948636 /nfs/dbraw/zinc/94/86/36/1186948636.db2.gz MGFYTROBIIHUQM-KURKYZTESA-N 0 3 386.496 0.750 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000583840308 1186949159 /nfs/dbraw/zinc/94/91/59/1186949159.db2.gz ROQUEJSZHRLOAP-INIZCTEOSA-N 0 3 381.517 0.879 20 0 GCADHN Cn1nccc1NC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000151175095 1186951105 /nfs/dbraw/zinc/95/11/05/1186951105.db2.gz KYOIVNRCCRNICR-QGZVFWFLSA-N 0 3 384.484 0.854 20 0 GCADHN Cc1ccc(NC(=O)C2CCN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CC2)nc1 ZINC000583857876 1186953257 /nfs/dbraw/zinc/95/32/57/1186953257.db2.gz IPVXXYDUGMWECD-SJORKVTESA-N 0 3 399.495 0.730 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCCc3nc4c(s3)CCCC4)CCN2C1=O ZINC000583883893 1186957216 /nfs/dbraw/zinc/95/72/16/1186957216.db2.gz KLLXSRKFRCMEPF-CHWSQXEVSA-N 0 3 377.514 0.908 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCCc2cccs2)CC1 ZINC000583895208 1186958037 /nfs/dbraw/zinc/95/80/37/1186958037.db2.gz BUTDZPRTFIASJV-UHFFFAOYSA-N 0 3 394.541 0.810 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1)C1=CCN(C)CC1 ZINC000583899228 1186958554 /nfs/dbraw/zinc/95/85/54/1186958554.db2.gz GREFSSRHELMYLJ-CQSZACIVSA-N 0 3 375.448 0.636 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1)C1=CCN(C)CC1 ZINC000583899227 1186958789 /nfs/dbraw/zinc/95/87/89/1186958789.db2.gz GREFSSRHELMYLJ-AWEZNQCLSA-N 0 3 375.448 0.636 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC000247543546 1186960974 /nfs/dbraw/zinc/96/09/74/1186960974.db2.gz DFMRFBGHHLFQFX-KDOFPFPSSA-N 0 3 376.505 0.686 20 0 GCADHN CNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000247579086 1186962523 /nfs/dbraw/zinc/96/25/23/1186962523.db2.gz KZLJQLQWUAIUFA-LSDHHAIUSA-N 0 3 376.457 0.411 20 0 GCADHN COc1cc(C)c([C@H](C)NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC ZINC000583945675 1186965372 /nfs/dbraw/zinc/96/53/72/1186965372.db2.gz CKTXYOAXWYLULI-LZWOXQAQSA-N 0 3 390.484 0.433 20 0 GCADHN CCN1CCCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000158261855 1186967808 /nfs/dbraw/zinc/96/78/08/1186967808.db2.gz SJNVWJQRYNNRDV-UHFFFAOYSA-N 0 3 388.512 0.803 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000278523550 1186968947 /nfs/dbraw/zinc/96/89/47/1186968947.db2.gz YMRLCYPNCSFOND-WMLDXEAASA-N 0 3 390.488 0.420 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2ccccc2Cn2cncn2)CCOCC1 ZINC000511245833 1186968998 /nfs/dbraw/zinc/96/89/98/1186968998.db2.gz APPWICYVGRMDHM-UHFFFAOYSA-N 0 3 379.486 0.716 20 0 GCADHN O=C(Cc1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458748840 1186973862 /nfs/dbraw/zinc/97/38/62/1186973862.db2.gz CNQKAKSYFOSTPM-RTBURBONSA-N 0 3 388.512 0.976 20 0 GCADHN COc1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1OC(F)F ZINC000584005942 1186978788 /nfs/dbraw/zinc/97/87/88/1186978788.db2.gz QENVZTBPDPXODY-NWDGAFQWSA-N 0 3 384.383 0.750 20 0 GCADHN CCCN(C)CC(=O)N1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](C)C1 ZINC001719727381 1186978902 /nfs/dbraw/zinc/97/89/02/1186978902.db2.gz NWOZBVKUOIDDRS-QLCXLMDBSA-N 0 3 381.517 0.590 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2ccccc2Cn2cncn2)CC1 ZINC000511246905 1186982186 /nfs/dbraw/zinc/98/21/86/1186982186.db2.gz IBCIAPWOSPULEE-QGZVFWFLSA-N 0 3 393.513 0.698 20 0 GCADHN O=C(NC[C@H]1CCCN(CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001023500624 1186983039 /nfs/dbraw/zinc/98/30/39/1186983039.db2.gz WNIKWKXLVIDONN-TVRAHDOYSA-N 0 3 375.469 0.387 20 0 GCADHN COCC(=O)N(C)CC(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000536201627 1186987179 /nfs/dbraw/zinc/98/71/79/1186987179.db2.gz HNRMFHRITRIUSY-HNNXBMFYSA-N 0 3 376.457 0.427 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccnn1-c1ccc(C)nn1 ZINC000133311632 1186990283 /nfs/dbraw/zinc/99/02/83/1186990283.db2.gz DPNDNOWUDYAJGK-CABCVRRESA-N 0 3 383.456 0.994 20 0 GCADHN CCN1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@@H]1c1ncc[nH]1 ZINC000584081413 1186996569 /nfs/dbraw/zinc/99/65/69/1186996569.db2.gz VCKVIPUEZAAGTP-HZPDHXFCSA-N 0 3 390.532 0.852 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccnc(OCCO)c2)o1 ZINC000657828774 1187001813 /nfs/dbraw/zinc/00/18/13/1187001813.db2.gz WYVNCGVVAZUARD-UHFFFAOYSA-N 0 3 390.440 0.883 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000151651888 1187005896 /nfs/dbraw/zinc/00/58/96/1187005896.db2.gz GVALLXRPILLBBG-GOEBONIOSA-N 0 3 393.513 0.376 20 0 GCADHN C[C@H](O)CN1CCN(c2cnc(N3CCN(C[C@H](C)O)C[C@H]3C)cn2)[C@H](C)C1 ZINC000685273058 1187008967 /nfs/dbraw/zinc/00/89/67/1187008967.db2.gz FKUHFMQIWONCJQ-BDXSIMOUSA-N 0 3 392.548 0.259 20 0 GCADHN C[C@H](Cn1cncn1)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000657833741 1187009987 /nfs/dbraw/zinc/00/99/87/1187009987.db2.gz CDMKQTJMQJWNTF-OAHLLOKOSA-N 0 3 379.486 0.618 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCN(c4ccccc4F)C3)CCN2C1=O ZINC000584184374 1187012137 /nfs/dbraw/zinc/01/21/37/1187012137.db2.gz ZYBVTWIICXNOFU-IJEWVQPXSA-N 0 3 375.448 0.605 20 0 GCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000584195809 1187013445 /nfs/dbraw/zinc/01/34/45/1187013445.db2.gz SBZRLDZILZDVDA-ZDUSSCGKSA-N 0 3 390.550 0.993 20 0 GCADHN Cn1c2ncn(C[C@H]3CN(Cc4ccccc4)CCCO3)c2c(=O)n(C)c1=O ZINC000278670096 1187013596 /nfs/dbraw/zinc/01/35/96/1187013596.db2.gz XSMCCIUUVFDUIS-MRXNPFEDSA-N 0 3 383.452 0.725 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCc2ccnc(N(C)C)n2)o1 ZINC000584196567 1187013664 /nfs/dbraw/zinc/01/36/64/1187013664.db2.gz YVHGLJHTGUWGNL-UHFFFAOYSA-N 0 3 388.472 0.651 20 0 GCADHN NS(=O)(=O)c1ccc2c(c1)[C@H](NCCNC(=O)c1cnccn1)CCC2 ZINC000584202015 1187014687 /nfs/dbraw/zinc/01/46/87/1187014687.db2.gz XPUHRFKCCWVSTO-OAHLLOKOSA-N 0 3 375.454 0.521 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(-c4ccccc4)o3)CCN2C1=O ZINC000584243466 1187020786 /nfs/dbraw/zinc/02/07/86/1187020786.db2.gz BXQRJCINRMBPEH-HOCLYGCPSA-N 0 3 382.420 0.333 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC(C)(C)CC2)CC1 ZINC000584277844 1187024784 /nfs/dbraw/zinc/02/47/84/1187024784.db2.gz MQUWPQKSKIQCNK-INIZCTEOSA-N 0 3 378.517 0.790 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000278711155 1187027704 /nfs/dbraw/zinc/02/77/04/1187027704.db2.gz QXCVGASNGFHBES-AWEZNQCLSA-N 0 3 393.488 0.720 20 0 GCADHN CN(C)c1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c2ccccc2n1 ZINC000584303344 1187028907 /nfs/dbraw/zinc/02/89/07/1187028907.db2.gz SQIDGQOCTUAFRH-ZBFHGGJFSA-N 0 3 382.468 0.754 20 0 GCADHN COC(=O)C12CCC(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)(CC1)C2 ZINC000584325662 1187033453 /nfs/dbraw/zinc/03/34/53/1187033453.db2.gz JHKHEKPFGLXDBX-APMMTJHUSA-N 0 3 377.485 0.875 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000584362524 1187039550 /nfs/dbraw/zinc/03/95/50/1187039550.db2.gz FKGBZAYLDWVJDP-KSZLIROESA-N 0 3 386.496 0.388 20 0 GCADHN COc1ccc(-c2noc(CCC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)n2)cc1 ZINC000584361818 1187040553 /nfs/dbraw/zinc/04/05/53/1187040553.db2.gz DWLKIAPYCVRUNU-UKRRQHHQSA-N 0 3 385.424 0.448 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(CNC(C)=O)cc2)CC1 ZINC000525698038 1187042718 /nfs/dbraw/zinc/04/27/18/1187042718.db2.gz PKKXWEXSZLLUNC-INIZCTEOSA-N 0 3 396.557 0.875 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000611838164 1187046423 /nfs/dbraw/zinc/04/64/23/1187046423.db2.gz GRYZCYJOJFFHOT-LSDHHAIUSA-N 0 3 380.533 0.986 20 0 GCADHN CC(=O)N1CCC(CCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000152731537 1187051367 /nfs/dbraw/zinc/05/13/67/1187051367.db2.gz IGDZOAZYJVVLMK-SFHVURJKSA-N 0 3 378.517 0.790 20 0 GCADHN CN(C)[C@H](CNC(=O)N(C)C[C@H](O)CN1CCOCC1)Cc1ccccc1 ZINC000083694285 1187051501 /nfs/dbraw/zinc/05/15/01/1187051501.db2.gz UXADPXNPGQIYPU-OALUTQOASA-N 0 3 378.517 0.494 20 0 GCADHN COCCOC[C@H](O)CNCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000584405765 1187052664 /nfs/dbraw/zinc/05/26/64/1187052664.db2.gz ZDUGFTJDIZZOMI-QGZVFWFLSA-N 0 3 386.514 0.975 20 0 GCADHN O=C(COC1CNC1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000584408594 1187054102 /nfs/dbraw/zinc/05/41/02/1187054102.db2.gz HYWCVFLHIYWBDQ-IBGZPJMESA-N 0 3 386.496 0.310 20 0 GCADHN COc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OC)cc1Cl ZINC000584422211 1187057481 /nfs/dbraw/zinc/05/74/81/1187057481.db2.gz PYBZDMOIWUQXFQ-KOLCDFICSA-N 0 3 396.831 0.066 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)N1CCCC1 ZINC000584437851 1187063449 /nfs/dbraw/zinc/06/34/49/1187063449.db2.gz ZQLBRVUPFUUYNE-CYBMUJFWSA-N 0 3 394.497 0.548 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)[C@@H]3C2)O1 ZINC000972639275 1187069675 /nfs/dbraw/zinc/06/96/75/1187069675.db2.gz YNLKCYPNNUNNGH-QBPKDAKJSA-N 0 3 378.517 0.249 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cncc(OCC(F)(F)F)n1 ZINC000657867524 1187071286 /nfs/dbraw/zinc/07/12/86/1187071286.db2.gz TXGCDAGNEAMZDI-UHFFFAOYSA-N 0 3 375.351 0.909 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248791574 1187075414 /nfs/dbraw/zinc/07/54/14/1187075414.db2.gz IUJGYLKZYXBVML-OIISXLGYSA-N 0 3 380.514 0.840 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000144369006 1187082754 /nfs/dbraw/zinc/08/27/54/1187082754.db2.gz KYYUUXGVJZQVHE-ZBFHGGJFSA-N 0 3 383.489 0.261 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000149091746 1187085799 /nfs/dbraw/zinc/08/57/99/1187085799.db2.gz ILDGPPGSOSSGNX-ZIAGYGMSSA-N 0 3 396.513 0.770 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000148551647 1187087270 /nfs/dbraw/zinc/08/72/70/1187087270.db2.gz PMMZWZLEPOEORO-UHFFFAOYSA-N 0 3 395.456 0.878 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000148584446 1187087468 /nfs/dbraw/zinc/08/74/68/1187087468.db2.gz QBMPPUZYQVMWJQ-UHFFFAOYSA-N 0 3 388.468 0.744 20 0 GCADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@@H]1CN(C)CCO1 ZINC000685344445 1187110034 /nfs/dbraw/zinc/11/00/34/1187110034.db2.gz XACHSGBHFRVLNF-YJBOKZPZSA-N 0 3 394.491 0.551 20 0 GCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)CCC2 ZINC000685445805 1187130275 /nfs/dbraw/zinc/13/02/75/1187130275.db2.gz CLQFCLRKOAKKMI-INIZCTEOSA-N 0 3 377.489 0.576 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1ccnn1C ZINC000685484271 1187134382 /nfs/dbraw/zinc/13/43/82/1187134382.db2.gz YOKYDORLMLYXOW-KRWDZBQOSA-N 0 3 392.548 0.372 20 0 GCADHN COCCN1CCC(NC(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000140318137 1187135248 /nfs/dbraw/zinc/13/52/48/1187135248.db2.gz NJQBIJGGRXXALQ-UHFFFAOYSA-N 0 3 377.489 0.828 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N(C)CCN2CCCC2)C1=O ZINC000685488964 1187136980 /nfs/dbraw/zinc/13/69/80/1187136980.db2.gz KNSOGYUOBZHTKO-HNNXBMFYSA-N 0 3 390.488 0.069 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C)CC1 ZINC000685496122 1187137873 /nfs/dbraw/zinc/13/78/73/1187137873.db2.gz MUSIQRROYJIADI-OAHLLOKOSA-N 0 3 398.467 0.954 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000685520154 1187142586 /nfs/dbraw/zinc/14/25/86/1187142586.db2.gz BQXWFYQFXGFQCO-IRXDYDNUSA-N 0 3 380.533 0.546 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000685520389 1187143310 /nfs/dbraw/zinc/14/33/10/1187143310.db2.gz SCMHXRGWEPITLN-MRXNPFEDSA-N 0 3 378.517 0.836 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000685520416 1187143346 /nfs/dbraw/zinc/14/33/46/1187143346.db2.gz VLYYSVMEFHLMPW-ROUUACIJSA-N 0 3 394.560 0.794 20 0 GCADHN CCN1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)Oc2ccccc21 ZINC000657897112 1187144425 /nfs/dbraw/zinc/14/44/25/1187144425.db2.gz ZXYCVAMNTFDRDV-LZLYRXPVSA-N 0 3 386.496 0.895 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c2cccnc12 ZINC000141781837 1187148318 /nfs/dbraw/zinc/14/83/18/1187148318.db2.gz QSJGRIAQQMUOIV-UHFFFAOYSA-N 0 3 385.468 0.936 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)NC2CCN(CCOC)CC2)c1 ZINC000140448342 1187149138 /nfs/dbraw/zinc/14/91/38/1187149138.db2.gz QKWTXQHXJNXCKY-UHFFFAOYSA-N 0 3 378.473 0.721 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)N2CCC(C(F)(F)F)CC2)CC1 ZINC000444272608 1187154441 /nfs/dbraw/zinc/15/44/41/1187154441.db2.gz YBKXUDPBBCUMGO-ZDUSSCGKSA-N 0 3 378.439 0.930 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000152796176 1187155037 /nfs/dbraw/zinc/15/50/37/1187155037.db2.gz CIEISLMFPWMVDY-INIZCTEOSA-N 0 3 398.467 0.829 20 0 GCADHN O=C(NCc1nc(C[NH2+]C[C@@H]2CCOC2)cc(=O)[n-]1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001087258326 1187160306 /nfs/dbraw/zinc/16/03/06/1187160306.db2.gz FVBFEFDRFRXBBB-BWQRHGBYSA-N 0 3 376.457 0.740 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000611964923 1187163317 /nfs/dbraw/zinc/16/33/17/1187163317.db2.gz RHLRDPBWFHQZNA-OAHLLOKOSA-N 0 3 395.525 0.943 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000685602610 1187177779 /nfs/dbraw/zinc/17/77/79/1187177779.db2.gz HGONYXWTNZPILA-KRWDZBQOSA-N 0 3 395.525 0.987 20 0 GCADHN CN1CCN(C)[C@@H](CNC(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000431615698 1187179844 /nfs/dbraw/zinc/17/98/44/1187179844.db2.gz ACCHQIQXAPDDBB-KRWDZBQOSA-N 0 3 396.580 0.158 20 0 GCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000179708661 1187183032 /nfs/dbraw/zinc/18/30/32/1187183032.db2.gz FTVMRDHPJMAYNC-CQSZACIVSA-N 0 3 379.486 0.335 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000287477307 1187191015 /nfs/dbraw/zinc/19/10/15/1187191015.db2.gz OKILUPSPOCFETK-MKXGPGLRSA-N 0 3 387.480 0.830 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCN1CCN(C)S(C)(=O)=O ZINC001691482843 1187195628 /nfs/dbraw/zinc/19/56/28/1187195628.db2.gz XHFWEIDKOWKHDL-HGTKMLMNSA-N 0 3 383.518 0.374 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1)N1CCCC1 ZINC001023972938 1187206530 /nfs/dbraw/zinc/20/65/30/1187206530.db2.gz XJGFBTOURRECEY-BSDSXHPESA-N 0 3 386.496 0.747 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000611980788 1187209470 /nfs/dbraw/zinc/20/94/70/1187209470.db2.gz YMLOOXTZKIWVCW-ZBFHGGJFSA-N 0 3 376.432 0.648 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000611980784 1187209766 /nfs/dbraw/zinc/20/97/66/1187209766.db2.gz YMLOOXTZKIWVCW-GOEBONIOSA-N 0 3 376.432 0.648 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000668747781 1187220081 /nfs/dbraw/zinc/22/00/81/1187220081.db2.gz LGDHAGKPLFORAX-MRXNPFEDSA-N 0 3 392.475 0.590 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CC2)cs1 ZINC000657995827 1187228319 /nfs/dbraw/zinc/22/83/19/1187228319.db2.gz LOJDIWHKTXGHHB-ZBFHGGJFSA-N 0 3 377.514 0.258 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000612033758 1187242456 /nfs/dbraw/zinc/24/24/56/1187242456.db2.gz HCFSEEFKGUHYPX-OAHLLOKOSA-N 0 3 385.468 0.547 20 0 GCADHN Cc1cnc(S(C)(=O)=O)nc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000612057856 1187244145 /nfs/dbraw/zinc/24/41/45/1187244145.db2.gz SHQCVJBDHWZQFV-ZIAGYGMSSA-N 0 3 384.502 0.808 20 0 GCADHN COc1cccc(OC)c1CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612067106 1187245995 /nfs/dbraw/zinc/24/59/95/1187245995.db2.gz YAPZGGLWCFMVCR-HNNXBMFYSA-N 0 3 391.468 0.690 20 0 GCADHN O=C(C(=O)N1CCN(C2CCOCC2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000658135077 1187246417 /nfs/dbraw/zinc/24/64/17/1187246417.db2.gz HWCLYMMJDRMHSQ-UHFFFAOYSA-N 0 3 392.544 0.787 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000472359894 1187261206 /nfs/dbraw/zinc/26/12/06/1187261206.db2.gz IDMWOUOTEJRVIM-KGLIPLIRSA-N 0 3 376.423 0.636 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000658262772 1187262366 /nfs/dbraw/zinc/26/23/66/1187262366.db2.gz VLKUJWVXQVZDQM-OAHLLOKOSA-N 0 3 396.513 0.663 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1C ZINC000658262452 1187262975 /nfs/dbraw/zinc/26/29/75/1187262975.db2.gz TVFZJWUXAYUIEA-ZDUSSCGKSA-N 0 3 396.513 0.878 20 0 GCADHN CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635723010 1187275256 /nfs/dbraw/zinc/27/52/56/1187275256.db2.gz YJHVXRIUHSGNIF-KSTCHIGDSA-N 0 3 398.447 0.920 20 0 GCADHN O=C(NC/C=C/CO)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000658413028 1187286172 /nfs/dbraw/zinc/28/61/72/1187286172.db2.gz ACQMOWIPTPTWGH-BDUNBXCCSA-N 0 3 383.452 0.933 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC/C=C\CO)cc1)[C@@H]1CCCN(C)C1 ZINC000658413071 1187286345 /nfs/dbraw/zinc/28/63/45/1187286345.db2.gz AKYZCBLXCSTSFO-CWIOURORSA-N 0 3 388.468 0.456 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000658541718 1187334448 /nfs/dbraw/zinc/33/44/48/1187334448.db2.gz LDYOWOSETZRKGS-SFHVURJKSA-N 0 3 376.501 0.760 20 0 GCADHN C[C@H]1CC(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H](C)C1 ZINC000658534881 1187336462 /nfs/dbraw/zinc/33/64/62/1187336462.db2.gz FDLAQOSSPBXGBG-IAGOWNOFSA-N 0 3 392.544 0.942 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658535873 1187337315 /nfs/dbraw/zinc/33/73/15/1187337315.db2.gz KAUFGUBETVTUPW-MRXNPFEDSA-N 0 3 390.484 0.628 20 0 GCADHN COc1ccc(N2C[C@@H](NC(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2=O)cc1 ZINC000612178646 1187359873 /nfs/dbraw/zinc/35/98/73/1187359873.db2.gz UDSJXBHIHDDSAJ-HOCLYGCPSA-N 0 3 388.468 0.469 20 0 GCADHN CC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000658586123 1187362101 /nfs/dbraw/zinc/36/21/01/1187362101.db2.gz DFLHMBZMEYSWQT-IAGOWNOFSA-N 0 3 390.484 0.678 20 0 GCADHN O=C(N[C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@H]1O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001024371333 1187370058 /nfs/dbraw/zinc/37/00/58/1187370058.db2.gz LSEJEVHUFUGMJP-MUIFIZLQSA-N 0 3 380.408 0.163 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F ZINC000685734822 1187385649 /nfs/dbraw/zinc/38/56/49/1187385649.db2.gz LMKUKWPRZJQLQK-UHFFFAOYSA-N 0 3 398.410 0.922 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N2CCO[C@@H](CN(C)C)C2)[C@H]1c1ccccc1 ZINC000685744183 1187401150 /nfs/dbraw/zinc/40/11/50/1187401150.db2.gz PVPYISMFGMZOMO-UHOSZYNNSA-N 0 3 375.469 0.764 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCc2ccco2)CC1 ZINC000658675926 1187408691 /nfs/dbraw/zinc/40/86/91/1187408691.db2.gz AMUYKQCPNHYGBR-INIZCTEOSA-N 0 3 376.457 0.093 20 0 GCADHN C[C@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@@H](C)C1 ZINC000658677665 1187409222 /nfs/dbraw/zinc/40/92/22/1187409222.db2.gz RYMAJNTXZJBXKI-MLHJIOFPSA-N 0 3 392.544 0.940 20 0 GCADHN C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612225410 1187412831 /nfs/dbraw/zinc/41/28/31/1187412831.db2.gz ADJBRIXQKLNDRX-HNNXBMFYSA-N 0 3 387.484 0.147 20 0 GCADHN O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N1CCn2ncnc2C1 ZINC000612225240 1187413590 /nfs/dbraw/zinc/41/35/90/1187413590.db2.gz YUNPIPSZRDVEJM-UHFFFAOYSA-N 0 3 383.456 0.044 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000658701999 1187417829 /nfs/dbraw/zinc/41/78/29/1187417829.db2.gz YNPQTFQSWYELJD-BBWFWOEESA-N 0 3 376.501 0.543 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000658706828 1187421117 /nfs/dbraw/zinc/42/11/17/1187421117.db2.gz BGPCLWATVBKPGP-ZDUSSCGKSA-N 0 3 382.486 0.509 20 0 GCADHN Cc1cc(CNC(=O)NCCCCN2CCN(C)CC2)ccc1S(N)(=O)=O ZINC000548906078 1187421794 /nfs/dbraw/zinc/42/17/94/1187421794.db2.gz HXLMTAUXOIEVRX-UHFFFAOYSA-N 0 3 397.545 0.469 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658750786 1187438027 /nfs/dbraw/zinc/43/80/27/1187438027.db2.gz GBYOXXRQIFPVQI-QGZVFWFLSA-N 0 3 394.541 0.571 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658750784 1187438248 /nfs/dbraw/zinc/43/82/48/1187438248.db2.gz GBYOXXRQIFPVQI-KRWDZBQOSA-N 0 3 394.541 0.571 20 0 GCADHN CC(=O)NCCCNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612231834 1187438668 /nfs/dbraw/zinc/43/86/68/1187438668.db2.gz SGWWWGOICLMZGK-UHFFFAOYSA-N 0 3 375.473 0.052 20 0 GCADHN O=C(CCN1CCN([C@@H]2CCC[C@H]2O)CC1)N1CCN(c2ncccn2)CC1 ZINC000375816122 1187439964 /nfs/dbraw/zinc/43/99/64/1187439964.db2.gz RPIOOJNVKSVXKE-QZTJIDSGSA-N 0 3 388.516 0.046 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000299501229 1187441681 /nfs/dbraw/zinc/44/16/81/1187441681.db2.gz KJPQWQPPZMQJLD-CQSZACIVSA-N 0 3 377.470 0.490 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000299501229 1187441684 /nfs/dbraw/zinc/44/16/84/1187441684.db2.gz KJPQWQPPZMQJLD-CQSZACIVSA-N 0 3 377.470 0.490 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000299501229 1187441688 /nfs/dbraw/zinc/44/16/88/1187441688.db2.gz KJPQWQPPZMQJLD-CQSZACIVSA-N 0 3 377.470 0.490 20 0 GCADHN CCCC1N=NC(=S)N1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728611154 1187449503 /nfs/dbraw/zinc/44/95/03/1187449503.db2.gz UCIXHQAQDADCDW-UHFFFAOYSA-N 0 3 380.518 0.286 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)C1 ZINC000658776833 1187456031 /nfs/dbraw/zinc/45/60/31/1187456031.db2.gz BFADNZPVTKIYSR-NSHDSACASA-N 0 3 382.848 0.987 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000658778371 1187457733 /nfs/dbraw/zinc/45/77/33/1187457733.db2.gz MWARQDWEOSUZKC-HNNXBMFYSA-N 0 3 394.497 0.666 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000658778024 1187458690 /nfs/dbraw/zinc/45/86/90/1187458690.db2.gz LHOXWCFSULUCLQ-LBPRGKRZSA-N 0 3 386.449 0.273 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)C1 ZINC000658780562 1187461461 /nfs/dbraw/zinc/46/14/61/1187461461.db2.gz YLRNTELQYBIKKR-CYBMUJFWSA-N 0 3 382.486 0.442 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000612333991 1187464669 /nfs/dbraw/zinc/46/46/69/1187464669.db2.gz XFCAWONDELHOTH-UHFFFAOYSA-N 0 3 390.532 0.743 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCOC(C)(C)C)CC1 ZINC000612352564 1187469851 /nfs/dbraw/zinc/46/98/51/1187469851.db2.gz IYIYUUWSOMLZBB-OAHLLOKOSA-N 0 3 382.505 0.073 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCC(C)(C)S(C)(=O)=O)CC1 ZINC000413721541 1187484117 /nfs/dbraw/zinc/48/41/17/1187484117.db2.gz CVWLIFVFDMBKEF-UHFFFAOYSA-N 0 3 390.550 0.395 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)o1 ZINC000658791682 1187484671 /nfs/dbraw/zinc/48/46/71/1187484671.db2.gz FKFTVPDXYDTWIY-UHFFFAOYSA-N 0 3 394.516 0.393 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC(C)(C)S(C)(=O)=O)CC1 ZINC000413730322 1187486834 /nfs/dbraw/zinc/48/68/34/1187486834.db2.gz USIRTIHUZXKZPP-CQSZACIVSA-N 0 3 388.534 0.148 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)o1 ZINC000658791763 1187488618 /nfs/dbraw/zinc/48/86/18/1187488618.db2.gz RADXIJGBUXDLJC-QZTJIDSGSA-N 0 3 393.484 0.885 20 0 GCADHN Cn1nccc1CCN1CCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001024573169 1187489178 /nfs/dbraw/zinc/48/91/78/1187489178.db2.gz HIEFQNJGFLTKEX-WZGPROSRSA-N 0 3 376.501 0.985 20 0 GCADHN COCCOc1cc(C)ccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584481174 1187492420 /nfs/dbraw/zinc/49/24/20/1187492420.db2.gz CWWGGQZLJITWKW-HOTGVXAUSA-N 0 3 376.457 0.474 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000612480780 1187504152 /nfs/dbraw/zinc/50/41/52/1187504152.db2.gz MWBHSKJCIHMQRA-IRXDYDNUSA-N 0 3 378.517 0.694 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000612482275 1187504179 /nfs/dbraw/zinc/50/41/79/1187504179.db2.gz KRMKMJLWQMJUJP-MRXNPFEDSA-N 0 3 395.548 0.875 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000612481465 1187504206 /nfs/dbraw/zinc/50/42/06/1187504206.db2.gz BHENYIMDTRBWRU-IRXDYDNUSA-N 0 3 382.549 0.527 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000612483217 1187504713 /nfs/dbraw/zinc/50/47/13/1187504713.db2.gz YATGVYXDOCKUAO-MRXNPFEDSA-N 0 3 376.505 0.753 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000612484456 1187505557 /nfs/dbraw/zinc/50/55/57/1187505557.db2.gz ALOQXUOLVUGWRJ-IAGOWNOFSA-N 0 3 394.516 0.073 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000612484458 1187505737 /nfs/dbraw/zinc/50/57/37/1187505737.db2.gz ALOQXUOLVUGWRJ-SJORKVTESA-N 0 3 394.516 0.073 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000612486261 1187506353 /nfs/dbraw/zinc/50/63/53/1187506353.db2.gz QUVGWADLHMFWJU-INIZCTEOSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(c2nncn2C)CC1 ZINC000612487602 1187507011 /nfs/dbraw/zinc/50/70/11/1187507011.db2.gz USFZTCYHTJCLSV-HNNXBMFYSA-N 0 3 376.505 0.758 20 0 GCADHN CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000570043132 1187508657 /nfs/dbraw/zinc/50/86/57/1187508657.db2.gz IQZKYCJNUKIJKW-HNNXBMFYSA-N 0 3 386.456 0.729 20 0 GCADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1F ZINC000375955816 1187508982 /nfs/dbraw/zinc/50/89/82/1187508982.db2.gz ZHHXETUAIFARDG-HNNXBMFYSA-N 0 3 398.504 0.632 20 0 GCADHN Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H]2NCCc3ccccc32)cn1C ZINC000375964282 1187513264 /nfs/dbraw/zinc/51/32/64/1187513264.db2.gz NCGNZIKICYORLX-INIZCTEOSA-N 0 3 391.497 0.400 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](Oc2ccccc2)C(C)(C)O)CC1 ZINC000612522983 1187513664 /nfs/dbraw/zinc/51/36/64/1187513664.db2.gz MBMGDZGADFXXRW-MSOLQXFVSA-N 0 3 389.496 0.970 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000247012332 1187513868 /nfs/dbraw/zinc/51/38/68/1187513868.db2.gz KKNKQRZVOLACGR-IRXDYDNUSA-N 0 3 376.501 0.400 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](Oc2ccccc2)C(C)(C)O)CC1 ZINC000612522985 1187513954 /nfs/dbraw/zinc/51/39/54/1187513954.db2.gz MBMGDZGADFXXRW-ROUUACIJSA-N 0 3 389.496 0.970 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000375967509 1187514587 /nfs/dbraw/zinc/51/45/87/1187514587.db2.gz CORUKEVTXYMBQW-VYDXJSESSA-N 0 3 391.493 0.025 20 0 GCADHN Cc1cnnn1-c1ccc(NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000658803244 1187517766 /nfs/dbraw/zinc/51/77/66/1187517766.db2.gz OVKRKAIRVKCFMK-SFHVURJKSA-N 0 3 398.467 0.884 20 0 GCADHN NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413802684 1187517967 /nfs/dbraw/zinc/51/79/67/1187517967.db2.gz HVWFSZUIHKSSPY-YJBOKZPZSA-N 0 3 387.484 0.710 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)C1 ZINC000612543478 1187519826 /nfs/dbraw/zinc/51/98/26/1187519826.db2.gz PVQXMUFYFRCXGN-WMZOPIPTSA-N 0 3 375.469 0.893 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)COCc2ccccc2)C1 ZINC000612548718 1187520677 /nfs/dbraw/zinc/52/06/77/1187520677.db2.gz QOZAATPFIAKIBT-QZTJIDSGSA-N 0 3 377.485 0.623 20 0 GCADHN Cc1ccc2c(c1)CN(C(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)CC2 ZINC000658805604 1187521660 /nfs/dbraw/zinc/52/16/60/1187521660.db2.gz MXBNOCTYVOHSNX-UHFFFAOYSA-N 0 3 398.507 0.646 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000612548456 1187522849 /nfs/dbraw/zinc/52/28/49/1187522849.db2.gz NJBGKHPDEALZEU-OAHLLOKOSA-N 0 3 381.498 0.649 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCCN(c3nc(CC)ns3)CC2)C1 ZINC000612547377 1187522913 /nfs/dbraw/zinc/52/29/13/1187522913.db2.gz CEDBUHVZWRMQIB-AWEZNQCLSA-N 0 3 394.545 0.740 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)C1 ZINC000612547414 1187523153 /nfs/dbraw/zinc/52/31/53/1187523153.db2.gz CVWLUBXVSNEIGC-MRXNPFEDSA-N 0 3 377.489 0.536 20 0 GCADHN O=C(Nc1ccc2c(c1)OCCO2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000658806917 1187530330 /nfs/dbraw/zinc/53/03/30/1187530330.db2.gz LAFXVYBDAYEBEC-OAHLLOKOSA-N 0 3 375.425 0.766 20 0 GCADHN O=C(C(=O)N1CCN(C[C@H]2CCCO2)CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000658810660 1187533371 /nfs/dbraw/zinc/53/33/71/1187533371.db2.gz NEKXLOYIYZHUIQ-RBUKOAKNSA-N 0 3 392.544 0.787 20 0 GCADHN COCCN(Cc1ccc(C)o1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612595576 1187534880 /nfs/dbraw/zinc/53/48/80/1187534880.db2.gz IWXYUYKHEGXAGK-KRWDZBQOSA-N 0 3 393.484 0.933 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCOCC2(CCCC2)C1 ZINC000612594356 1187534924 /nfs/dbraw/zinc/53/49/24/1187534924.db2.gz KLSVNEMDYPTQFN-QGZVFWFLSA-N 0 3 379.501 0.775 20 0 GCADHN CC(C)OC[C@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 ZINC000612595433 1187535401 /nfs/dbraw/zinc/53/54/01/1187535401.db2.gz WTHMPBSAISFYEM-DLBZAZTESA-N 0 3 383.489 0.008 20 0 GCADHN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612594900 1187535405 /nfs/dbraw/zinc/53/54/05/1187535405.db2.gz POSFVSZTMUOHCS-DZGCQCFKSA-N 0 3 382.505 0.118 20 0 GCADHN CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612595624 1187535434 /nfs/dbraw/zinc/53/54/34/1187535434.db2.gz ZCSFAYPTBMJLQS-FXAWDEMLSA-N 0 3 381.517 0.756 20 0 GCADHN CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612595625 1187535715 /nfs/dbraw/zinc/53/57/15/1187535715.db2.gz ZCSFAYPTBMJLQS-PXNSSMCTSA-N 0 3 381.517 0.756 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000612596961 1187536208 /nfs/dbraw/zinc/53/62/08/1187536208.db2.gz YIZFMCWOSJXNIA-RTBURBONSA-N 0 3 387.480 0.956 20 0 GCADHN COCCN(Cc1cccnc1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612599222 1187538680 /nfs/dbraw/zinc/53/86/80/1187538680.db2.gz RDISIJXFRIYMJI-SFHVURJKSA-N 0 3 390.484 0.426 20 0 GCADHN CN(CCOc1ccccc1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612599781 1187539709 /nfs/dbraw/zinc/53/97/09/1187539709.db2.gz AAXWUHLLRYSMMT-QGZVFWFLSA-N 0 3 375.469 0.893 20 0 GCADHN NS(=O)(=O)CCOCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000570203829 1187549000 /nfs/dbraw/zinc/54/90/00/1187549000.db2.gz LTCIMCKZYGKMQH-OAHLLOKOSA-N 0 3 387.477 0.459 20 0 GCADHN COCC(COC)N1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000413865494 1187552037 /nfs/dbraw/zinc/55/20/37/1187552037.db2.gz CSVXAFYBGRXCRW-UHFFFAOYSA-N 0 3 383.533 0.827 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CCN(CC)C2)CCN1CCOC ZINC000658821215 1187553985 /nfs/dbraw/zinc/55/39/85/1187553985.db2.gz KDECBVSFKPRFIS-QZTJIDSGSA-N 0 3 382.549 0.888 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)CC1=O ZINC000376038401 1187557089 /nfs/dbraw/zinc/55/70/89/1187557089.db2.gz JDQASSPWYXYEKP-CABCVRRESA-N 0 3 387.440 0.296 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)OC)CC1 ZINC000612715688 1187562045 /nfs/dbraw/zinc/56/20/45/1187562045.db2.gz YNZLPJOHCWXBNX-ZDUSSCGKSA-N 0 3 393.488 0.438 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000413901530 1187573311 /nfs/dbraw/zinc/57/33/11/1187573311.db2.gz MIFXYHUEFHPRLY-SFHVURJKSA-N 0 3 388.512 0.762 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000448285859 1187574081 /nfs/dbraw/zinc/57/40/81/1187574081.db2.gz QGAAJMJXNBQPHB-QGTPRVQTSA-N 0 3 397.541 0.486 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000612784094 1187583894 /nfs/dbraw/zinc/58/38/94/1187583894.db2.gz JJWFPZSUMYQWJE-HOCLYGCPSA-N 0 3 395.529 0.639 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1=O ZINC000413980862 1187623938 /nfs/dbraw/zinc/62/39/38/1187623938.db2.gz RNUDOKMRBQYAEC-BBRMVZONSA-N 0 3 376.432 0.457 20 0 GCADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[C@H](C2CCN(C)CC2)C1 ZINC000612998640 1187632715 /nfs/dbraw/zinc/63/27/15/1187632715.db2.gz AMUCPNXBZNSUJM-ZDUSSCGKSA-N 0 3 382.486 0.046 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000584505980 1187644276 /nfs/dbraw/zinc/64/42/76/1187644276.db2.gz ARTCACDZZFSOAW-KRWDZBQOSA-N 0 3 394.516 0.664 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2nnc(-c3cc[nH]n3)n2CC2CC2)CC1 ZINC000613084708 1187660470 /nfs/dbraw/zinc/66/04/70/1187660470.db2.gz JHVFOMXKGLHUBO-UHFFFAOYSA-N 0 3 384.488 0.823 20 0 GCADHN CC(C)(C)n1nnc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000613089046 1187662125 /nfs/dbraw/zinc/66/21/25/1187662125.db2.gz UNPPTZLKQXSMIH-SJORKVTESA-N 0 3 386.500 0.970 20 0 GCADHN O=C(Nc1cnc2c(c1)CNCC2)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000644103111 1187674126 /nfs/dbraw/zinc/67/41/26/1187674126.db2.gz BNCXZNJHALZYSL-UHFFFAOYSA-N 0 3 392.437 0.594 20 0 GCADHN CCOc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000376207639 1187675489 /nfs/dbraw/zinc/67/54/89/1187675489.db2.gz AOLJKHDCUAHSOZ-SFHVURJKSA-N 0 3 386.496 0.760 20 0 GCADHN C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CCN(C)[C@@H](C)[C@H]3C)n[nH]2)CCN1C ZINC000613225774 1187700963 /nfs/dbraw/zinc/70/09/63/1187700963.db2.gz JESTUEFXFAXMDW-PYHGIMPFSA-N 0 3 376.505 0.739 20 0 GCADHN C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CCN(C)[C@@H](C)[C@H]3C)[nH]n2)CCN1C ZINC000613225774 1187700966 /nfs/dbraw/zinc/70/09/66/1187700966.db2.gz JESTUEFXFAXMDW-PYHGIMPFSA-N 0 3 376.505 0.739 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000589034253 1187713767 /nfs/dbraw/zinc/71/37/67/1187713767.db2.gz FEDRFLGXEPGOAQ-UHFFFAOYSA-N 0 3 399.513 0.879 20 0 GCADHN CC(C)(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)CS(C)(=O)=O ZINC000926739345 1187720279 /nfs/dbraw/zinc/72/02/79/1187720279.db2.gz QLRAMZWDILVQGM-UHFFFAOYSA-N 0 3 388.534 0.007 20 0 GCADHN CC(C)(CO)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000892541477 1187738433 /nfs/dbraw/zinc/73/84/33/1187738433.db2.gz AXRUXOZFSHJJNJ-UHFFFAOYSA-N 0 3 383.514 0.600 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000636337104 1187738914 /nfs/dbraw/zinc/73/89/14/1187738914.db2.gz MWGKVQIZKNBCJS-HOCLYGCPSA-N 0 3 395.525 0.720 20 0 GCADHN NS(=O)(=O)c1ccc(NC(=O)C2CCN(CCN3CCCC3=O)CC2)cc1 ZINC000613441490 1187751362 /nfs/dbraw/zinc/75/13/62/1187751362.db2.gz HQRQDEBBCCFIKY-UHFFFAOYSA-N 0 3 394.497 0.607 20 0 GCADHN C[C@H]([C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)N1CCOCC1 ZINC000376314713 1187758679 /nfs/dbraw/zinc/75/86/79/1187758679.db2.gz CVFRQPMTCNYWSY-VQTPCSAVSA-N 0 3 395.548 0.478 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000376325422 1187763865 /nfs/dbraw/zinc/76/38/65/1187763865.db2.gz XVBIHHLQSMUCEW-HUUCEWRRSA-N 0 3 388.534 0.353 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 ZINC000174901384 1187770624 /nfs/dbraw/zinc/77/06/24/1187770624.db2.gz QUJSBJRCNNXFRR-MRXNPFEDSA-N 0 3 385.468 0.926 20 0 GCADHN CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000376348797 1187783701 /nfs/dbraw/zinc/78/37/01/1187783701.db2.gz IYVIUAJTALKGEV-HNNXBMFYSA-N 0 3 380.489 0.794 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1)N1CCCCC1 ZINC001025044337 1187783800 /nfs/dbraw/zinc/78/38/00/1187783800.db2.gz YFWSRPGUUPIRJX-TVFCKZIOSA-N 0 3 393.528 0.754 20 0 GCADHN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000376407191 1187818959 /nfs/dbraw/zinc/81/89/59/1187818959.db2.gz LQFRBEWMZOPKBM-HNNXBMFYSA-N 0 3 397.545 0.993 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000332922081 1187819660 /nfs/dbraw/zinc/81/96/60/1187819660.db2.gz DFEAVBURHOLCOH-ROUUACIJSA-N 0 3 395.548 0.293 20 0 GCADHN Cc1cnn(C[C@H]2CN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)CCO2)c1 ZINC000186100880 1187824311 /nfs/dbraw/zinc/82/43/11/1187824311.db2.gz ZYKVRXQQQDRGEL-ZWKOTPCHSA-N 0 3 378.521 0.628 20 0 GCADHN Cc1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1S(=O)(=O)N(C)C ZINC000658977992 1187827928 /nfs/dbraw/zinc/82/79/28/1187827928.db2.gz MZMMBDKQWRAMLX-UHFFFAOYSA-N 0 3 394.457 0.521 20 0 GCADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN[C@@H]1CCCc2c1cnn2CCO ZINC000647519659 1187829067 /nfs/dbraw/zinc/82/90/67/1187829067.db2.gz SVAHGRPVYFHZJJ-CXAGYDPISA-N 0 3 384.436 0.500 20 0 GCADHN Cc1cc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)n(-c2nc(C)cc(C)n2)n1 ZINC000658980677 1187830032 /nfs/dbraw/zinc/83/00/32/1187830032.db2.gz UGLITBDBOYJXQH-UHFFFAOYSA-N 0 3 383.416 0.864 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](O)C2)cc1)[C@@H]1CCCN(C)C1 ZINC000658982736 1187830710 /nfs/dbraw/zinc/83/07/10/1187830710.db2.gz KHQCZYXQVQRGDU-BRWVUGGUSA-N 0 3 388.468 0.431 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000176089786 1187835457 /nfs/dbraw/zinc/83/54/57/1187835457.db2.gz UQUVWHHHBHLMNB-HNNXBMFYSA-N 0 3 397.545 0.811 20 0 GCADHN O=C(Nc1ccc([C@H]2CNCCO2)cc1)NC1CCC2(CC1)NC(=O)NC2=O ZINC000659048188 1187850350 /nfs/dbraw/zinc/85/03/50/1187850350.db2.gz XTFPIDPUGGBFQL-XAUUPUKJSA-N 0 3 387.440 0.990 20 0 GCADHN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659079911 1187869350 /nfs/dbraw/zinc/86/93/50/1187869350.db2.gz OYRVDFQWTCOHKE-DLBZAZTESA-N 0 3 388.468 0.803 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCO[C@@H](c2ccnn2C)C1 ZINC000892648139 1187875740 /nfs/dbraw/zinc/87/57/40/1187875740.db2.gz COPXHWBVSLZCBF-DLBZAZTESA-N 0 3 392.504 0.446 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC000892650225 1187879758 /nfs/dbraw/zinc/87/97/58/1187879758.db2.gz UJZNWFLPMSNBEM-ZRGWGRIASA-N 0 3 379.505 0.430 20 0 GCADHN CC(C)Oc1ncc(Cl)cc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659111013 1187885373 /nfs/dbraw/zinc/88/53/73/1187885373.db2.gz WPWRORVODQXXOB-UHFFFAOYSA-N 0 3 394.819 0.731 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1OC(C)C ZINC000659110560 1187886342 /nfs/dbraw/zinc/88/63/42/1187886342.db2.gz MSPYRXRXSHWISZ-UHFFFAOYSA-N 0 3 389.412 0.692 20 0 GCADHN COc1cc(SC)ccc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659110703 1187886576 /nfs/dbraw/zinc/88/65/76/1187886576.db2.gz QJJZEXQXTJTEIH-UHFFFAOYSA-N 0 3 377.426 0.626 20 0 GCADHN CC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)sc2C1 ZINC000659110796 1187887020 /nfs/dbraw/zinc/88/70/20/1187887020.db2.gz UDQRPIVJQNSKHH-SECBINFHSA-N 0 3 390.469 0.867 20 0 GCADHN CC(C)Oc1c(F)cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1F ZINC000659110421 1187887464 /nfs/dbraw/zinc/88/74/64/1187887464.db2.gz HCVBXAONIDFOGR-UHFFFAOYSA-N 0 3 395.366 0.961 20 0 GCADHN CCOc1ccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1Cl ZINC000659111792 1187888695 /nfs/dbraw/zinc/88/86/95/1187888695.db2.gz JRNDJPSBSWPYAV-UHFFFAOYSA-N 0 3 379.804 0.948 20 0 GCADHN COc1cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(OC)cc1Cl ZINC000659113459 1187889912 /nfs/dbraw/zinc/88/99/12/1187889912.db2.gz VCNUISSFMURWJJ-UHFFFAOYSA-N 0 3 395.803 0.566 20 0 GCADHN O=C(CCN1CCN([C@H]2CCC[C@H]2O)CC1)N1CCN(c2ccccn2)CC1 ZINC000376495583 1187890475 /nfs/dbraw/zinc/89/04/75/1187890475.db2.gz PGGDDOVHOPGODV-RBUKOAKNSA-N 0 3 387.528 0.651 20 0 GCADHN CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)n1 ZINC000659159727 1187904307 /nfs/dbraw/zinc/90/43/07/1187904307.db2.gz YYFXVOITIKORGB-CABCVRRESA-N 0 3 390.488 0.538 20 0 GCADHN CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)n1 ZINC000659159733 1187904359 /nfs/dbraw/zinc/90/43/59/1187904359.db2.gz YYFXVOITIKORGB-LSDHHAIUSA-N 0 3 390.488 0.538 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000647596430 1187907509 /nfs/dbraw/zinc/90/75/09/1187907509.db2.gz XNGYZKBUMHLGFX-KOLCDFICSA-N 0 3 385.367 0.854 20 0 GCADHN Cc1c(C(=O)N2CC(=O)N(C)C[C@@H]2C)nnn1-c1cccc2c1CCN(C)C2 ZINC000782883548 1187928426 /nfs/dbraw/zinc/92/84/26/1187928426.db2.gz RNUKJIJRJDPMGM-ZDUSSCGKSA-N 0 3 382.468 0.866 20 0 GCADHN CN(CC(=O)N1CCOCC1)CC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001267602805 1187943440 /nfs/dbraw/zinc/94/34/40/1187943440.db2.gz HHZQHIFYRDQZFA-KURKYZTESA-N 0 3 379.501 0.583 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H](c3ccco3)C2)CC1 ZINC000659324695 1187944154 /nfs/dbraw/zinc/94/41/54/1187944154.db2.gz MOGBWBLRMZRURD-MRXNPFEDSA-N 0 3 388.468 0.362 20 0 GCADHN CN(C)Cc1ccoc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1O ZINC001025344764 1187957048 /nfs/dbraw/zinc/95/70/48/1187957048.db2.gz ZLJJUGKXFYUUMR-RRCSTGOVSA-N 0 3 387.440 0.170 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCNC(=O)c2ccc(Cl)cc2)n1 ZINC000659432024 1187957914 /nfs/dbraw/zinc/95/79/14/1187957914.db2.gz URHAWGFGLAYCHG-UHFFFAOYSA-N 0 3 378.820 0.524 20 0 GCADHN CCNC(=O)COc1cccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659440854 1187959030 /nfs/dbraw/zinc/95/90/30/1187959030.db2.gz VFEBHBRNRVEWBG-UHFFFAOYSA-N 0 3 388.428 0.155 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000659441721 1187959083 /nfs/dbraw/zinc/95/90/83/1187959083.db2.gz IZZSBWAXHPAHQO-UHFFFAOYSA-N 0 3 399.860 0.567 20 0 GCADHN COc1ccc(CCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(OC)c1OC ZINC000659449825 1187960455 /nfs/dbraw/zinc/96/04/55/1187960455.db2.gz RUENRSAFFFEXBC-UHFFFAOYSA-N 0 3 391.428 0.709 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCNC(=O)c2ccc(F)cc2)n1 ZINC000659452499 1187960812 /nfs/dbraw/zinc/96/08/12/1187960812.db2.gz CIPFUWRZPWCHDW-UHFFFAOYSA-N 0 3 376.392 0.399 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCNC(=O)c2cccc(F)c2)n1 ZINC000659453282 1187960958 /nfs/dbraw/zinc/96/09/58/1187960958.db2.gz JLCBGCNXFQKWCG-UHFFFAOYSA-N 0 3 376.392 0.399 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)n1 ZINC000659453189 1187961073 /nfs/dbraw/zinc/96/10/73/1187961073.db2.gz RQQKDQCRUWSJAH-LLVKDONJSA-N 0 3 378.383 0.997 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)n1 ZINC000659463579 1187962181 /nfs/dbraw/zinc/96/21/81/1187962181.db2.gz AIKWCBXWIKZEGZ-ZDUSSCGKSA-N 0 3 390.831 0.899 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)n1 ZINC000659463578 1187962450 /nfs/dbraw/zinc/96/24/50/1187962450.db2.gz AIKWCBXWIKZEGZ-CYBMUJFWSA-N 0 3 390.831 0.899 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)n1 ZINC000659466138 1187962486 /nfs/dbraw/zinc/96/24/86/1187962486.db2.gz DYKPFAWYPDGHRF-HNNXBMFYSA-N 0 3 398.467 0.674 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659480908 1187963417 /nfs/dbraw/zinc/96/34/17/1187963417.db2.gz CDSLZKXJIQXZAK-LBPRGKRZSA-N 0 3 393.469 0.611 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCc2cnc3c(Cl)cnn3c2)n1 ZINC000659498309 1187966111 /nfs/dbraw/zinc/96/61/11/1187966111.db2.gz RDAFIFOISRBQTB-UHFFFAOYSA-N 0 3 376.808 0.379 20 0 GCADHN CN(C)S(=O)(=O)CCCN1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001481103380 1187969387 /nfs/dbraw/zinc/96/93/87/1187969387.db2.gz GKWGNGUXXXNWOU-NEXGVSGLSA-N 0 3 385.530 0.129 20 0 GCADHN CC(C)N1CCO[C@H](CN2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)C1 ZINC000178884833 1187969481 /nfs/dbraw/zinc/96/94/81/1187969481.db2.gz GTMODCBYCGFHPB-RTWAWAEBSA-N 0 3 386.540 0.954 20 0 GCADHN CC(C)NC(=O)NCCN1CC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001481104485 1187972464 /nfs/dbraw/zinc/97/24/64/1187972464.db2.gz XMPLNHLNASKSDW-LTIDMASMSA-N 0 3 382.505 0.184 20 0 GCADHN CN(C(=O)CCc1c[nH]cn1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000330026535 1187975170 /nfs/dbraw/zinc/97/51/70/1187975170.db2.gz LOWXDHMTBLXDKU-UHFFFAOYSA-N 0 3 376.505 0.039 20 0 GCADHN CN(C(=O)CCc1cnc[nH]1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000330026535 1187975175 /nfs/dbraw/zinc/97/51/75/1187975175.db2.gz LOWXDHMTBLXDKU-UHFFFAOYSA-N 0 3 376.505 0.039 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N(CCN2CCOCC2)Cc2ccco2)n1 ZINC000659630261 1187978575 /nfs/dbraw/zinc/97/85/75/1187978575.db2.gz MUXAMVWBMPMBNW-UHFFFAOYSA-N 0 3 390.444 0.278 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)n1 ZINC000659630610 1187978680 /nfs/dbraw/zinc/97/86/80/1187978680.db2.gz KCOABWLJSGXAKX-RDTXWAMCSA-N 0 3 375.404 0.745 20 0 GCADHN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631400 1187978733 /nfs/dbraw/zinc/97/87/33/1187978733.db2.gz DSFFEOUNWONHMJ-GFCCVEGCSA-N 0 3 378.477 0.725 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(CCc3cccs3)CC2)n1 ZINC000659632794 1187979278 /nfs/dbraw/zinc/97/92/78/1187979278.db2.gz HCLHCULYISQTSC-UHFFFAOYSA-N 0 3 376.486 0.772 20 0 GCADHN CCn1nncc1CNCC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C ZINC001104685673 1187983537 /nfs/dbraw/zinc/98/35/37/1187983537.db2.gz ORAWQVRKYCSMLJ-LVQVYYBASA-N 0 3 376.505 0.774 20 0 GCADHN CCc1cccc2c(CCNC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)c[nH]c21 ZINC000659670224 1187989914 /nfs/dbraw/zinc/98/99/14/1187989914.db2.gz BLRAUWQBJJGFNN-UHFFFAOYSA-N 0 3 396.451 0.660 20 0 GCADHN CCN(CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc(C)c1 ZINC000659675453 1187994539 /nfs/dbraw/zinc/99/45/39/1187994539.db2.gz VAKXRWFDQFKYRL-UHFFFAOYSA-N 0 3 386.456 0.208 20 0 GCADHN COc1ccc(C[C@@H](C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659687982 1187998114 /nfs/dbraw/zinc/99/81/14/1187998114.db2.gz QTRCXJNXYSTFIY-GFCCVEGCSA-N 0 3 387.440 0.261 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCC2(c3ccccc3Cl)CC2)n1 ZINC000659698138 1187999275 /nfs/dbraw/zinc/99/92/75/1187999275.db2.gz XUFJUWGXNCEEFI-UHFFFAOYSA-N 0 3 389.843 0.759 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(CC)CC ZINC000659691257 1187999872 /nfs/dbraw/zinc/99/98/72/1187999872.db2.gz FRBUEPDHSCVKPK-QWHCGFSZSA-N 0 3 379.461 0.357 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000659690954 1188000062 /nfs/dbraw/zinc/00/00/62/1188000062.db2.gz KUZIKSMGSCIUPF-RHSMWYFYSA-N 0 3 385.424 0.294 20 0 GCADHN C[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1OC(F)F ZINC000659691063 1188000399 /nfs/dbraw/zinc/00/03/99/1188000399.db2.gz GORAALZDMRJYDB-VIFPVBQESA-N 0 3 395.366 0.736 20 0 GCADHN CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659697449 1188001685 /nfs/dbraw/zinc/00/16/85/1188001685.db2.gz HIPAMWCICYTIRE-LBPRGKRZSA-N 0 3 387.440 0.922 20 0 GCADHN CC(C)(C)c1csc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)n1 ZINC000659705352 1188001697 /nfs/dbraw/zinc/00/16/97/1188001697.db2.gz ZBHUEJWRFULLNO-UHFFFAOYSA-N 0 3 392.485 0.370 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCC2(Cc3ccc(F)cc3)CC2)n1 ZINC000659696803 1188001878 /nfs/dbraw/zinc/00/18/78/1188001878.db2.gz NPNTVNJEMZQGJC-UHFFFAOYSA-N 0 3 387.415 0.535 20 0 GCADHN Cc1cc(C(F)(F)F)ccc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659707496 1188002422 /nfs/dbraw/zinc/00/24/22/1188002422.db2.gz WOKOVRXWFIFZDR-UHFFFAOYSA-N 0 3 397.357 0.901 20 0 GCADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000659705753 1188002623 /nfs/dbraw/zinc/00/26/23/1188002623.db2.gz NZSOPABFMRXTTE-XMTFNYHQSA-N 0 3 390.528 0.931 20 0 GCADHN CC(C)(CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(F)cc1 ZINC000659703551 1188005721 /nfs/dbraw/zinc/00/57/21/1188005721.db2.gz DBILUUUYFJCYFG-UHFFFAOYSA-N 0 3 375.404 0.490 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2SCCc3ccccc32)n1 ZINC000659705492 1188005944 /nfs/dbraw/zinc/00/59/44/1188005944.db2.gz WMUMMVJQKGLCQW-AWEZNQCLSA-N 0 3 387.465 0.404 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc2c1OC(F)(F)O2 ZINC000659717873 1188007272 /nfs/dbraw/zinc/00/72/72/1188007272.db2.gz KUHYMAWFZSVINJ-KOLCDFICSA-N 0 3 385.367 0.854 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000659719263 1188007704 /nfs/dbraw/zinc/00/77/04/1188007704.db2.gz GIJFEUUXTRLDRT-UXHICEINSA-N 0 3 396.491 0.889 20 0 GCADHN O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000659726062 1188010296 /nfs/dbraw/zinc/01/02/96/1188010296.db2.gz BDZBHPWOFZUHBA-ROUUACIJSA-N 0 3 391.468 0.103 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1 ZINC000892945035 1188027609 /nfs/dbraw/zinc/02/76/09/1188027609.db2.gz YMQSSBHJQDTWGZ-UZLBHIALSA-N 0 3 397.516 0.977 20 0 GCADHN CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)N2CCCNCC2)cc1F ZINC000415318010 1188033245 /nfs/dbraw/zinc/03/32/45/1188033245.db2.gz MLJPLECJVUGQAQ-UHFFFAOYSA-N 0 3 375.408 0.821 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000377480757 1188037376 /nfs/dbraw/zinc/03/73/76/1188037376.db2.gz FGIXXPDSWCYRFL-JKSUJKDBSA-N 0 3 379.482 0.720 20 0 GCADHN CC(C)[C@H](C(=O)NCC(=O)NCCN1CCCCC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000909323068 1188055301 /nfs/dbraw/zinc/05/53/01/1188055301.db2.gz HPKNRLWYPBNKGG-ZHALLVOQSA-N 0 3 382.549 0.839 20 0 GCADHN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)NC[C@H]1CNCCO1 ZINC000415342305 1188056649 /nfs/dbraw/zinc/05/66/49/1188056649.db2.gz QJZGILBOWVQATQ-CQSZACIVSA-N 0 3 378.429 0.420 20 0 GCADHN CCN1C(=O)c2ccc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)cc2S1(=O)=O ZINC000377511652 1188059544 /nfs/dbraw/zinc/05/95/44/1188059544.db2.gz KLHKANSWVKPTSQ-KBPBESRZSA-N 0 3 393.465 0.444 20 0 GCADHN CCN1C(=O)c2ccc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)cc2S1(=O)=O ZINC000377511653 1188059935 /nfs/dbraw/zinc/05/99/35/1188059935.db2.gz KLHKANSWVKPTSQ-KGLIPLIRSA-N 0 3 393.465 0.444 20 0 GCADHN CC(C)CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCN(C)CC1 ZINC000377575146 1188078524 /nfs/dbraw/zinc/07/85/24/1188078524.db2.gz LHWQZLVKDJCTMA-GOSISDBHSA-N 0 3 394.560 0.746 20 0 GCADHN O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377581352 1188080726 /nfs/dbraw/zinc/08/07/26/1188080726.db2.gz DNEQXZRZXZZIEU-OAHLLOKOSA-N 0 3 396.488 0.386 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000377582589 1188081123 /nfs/dbraw/zinc/08/11/23/1188081123.db2.gz OAOIQJJSLNZZOW-CVEARBPZSA-N 0 3 390.440 0.574 20 0 GCADHN O=C(CNC(=O)c1cc(N2CCNC2=O)ccc1F)NCCN1CCCCC1 ZINC000909324537 1188091858 /nfs/dbraw/zinc/09/18/58/1188091858.db2.gz DLGWIOORQZUDJX-UHFFFAOYSA-N 0 3 391.447 0.687 20 0 GCADHN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000415611881 1188125095 /nfs/dbraw/zinc/12/50/95/1188125095.db2.gz YFCKPOKZWLKYAU-CQSZACIVSA-N 0 3 384.440 0.233 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1C ZINC000377769207 1188132943 /nfs/dbraw/zinc/13/29/43/1188132943.db2.gz AWRUSBWLVKMLPB-HOTGVXAUSA-N 0 3 381.498 0.561 20 0 GCADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000377769167 1188132998 /nfs/dbraw/zinc/13/29/98/1188132998.db2.gz AIDNDGXEZSOKGU-HOTGVXAUSA-N 0 3 395.481 0.147 20 0 GCADHN CN1CCN(CCNC(=O)N2CCn3c(CC4CC4)nnc3C2)CC1(C)C ZINC000651079506 1188141599 /nfs/dbraw/zinc/14/15/99/1188141599.db2.gz UTJUXNDPFNYWFY-UHFFFAOYSA-N 0 3 375.521 0.782 20 0 GCADHN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000415717680 1188148384 /nfs/dbraw/zinc/14/83/84/1188148384.db2.gz YWMCKAITUFOHET-KRWDZBQOSA-N 0 3 396.447 0.997 20 0 GCADHN O=C(NC[C@H]1NCCc2ccccc21)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000415711401 1188149092 /nfs/dbraw/zinc/14/90/92/1188149092.db2.gz PMMROWBQBCLDCM-MRXNPFEDSA-N 0 3 380.404 0.959 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000549348904 1188154980 /nfs/dbraw/zinc/15/49/80/1188154980.db2.gz QPNZBJXJOWDYRJ-GDBMZVCRSA-N 0 3 388.468 0.965 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000377926873 1189375125 /nfs/dbraw/zinc/37/51/25/1189375125.db2.gz UUTVGMZRCMQDSJ-OAHLLOKOSA-N 0 3 384.502 0.904 20 0 GCADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000377940162 1189379814 /nfs/dbraw/zinc/37/98/14/1189379814.db2.gz AMJACRGYXWVWSZ-SFHVURJKSA-N 0 3 394.541 0.739 20 0 GCADHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1nn(CCCOC)cc1C ZINC000415847206 1189380097 /nfs/dbraw/zinc/38/00/97/1189380097.db2.gz UFAPESSYSPIGCT-KRWDZBQOSA-N 0 3 387.484 1.545 20 0 GCADHN CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1F ZINC000415861204 1189384677 /nfs/dbraw/zinc/38/46/77/1189384677.db2.gz IQXOHNXHIVRDJN-LBPRGKRZSA-N 0 3 391.407 0.103 20 0 GCADHN COC(=O)c1c2c(sc1NC(=O)C(=O)NC[C@H]1CNCCO1)CCCC2 ZINC000415866641 1189388328 /nfs/dbraw/zinc/38/83/28/1189388328.db2.gz OHEWGNDEKHCGOO-SNVBAGLBSA-N 0 3 381.454 0.457 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000415868220 1189388851 /nfs/dbraw/zinc/38/88/51/1189388851.db2.gz QEAOQHHYPXRJAY-KRWDZBQOSA-N 0 3 383.452 0.930 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000415872782 1189393621 /nfs/dbraw/zinc/39/36/21/1189393621.db2.gz XIYSDWHTIWEOBW-LBPRGKRZSA-N 0 3 397.357 0.934 20 0 GCADHN CCOC(=O)CCc1ccc(NC(=O)C(=O)N2CCOC3(CNC3)C2)cc1 ZINC000415890573 1189396672 /nfs/dbraw/zinc/39/66/72/1189396672.db2.gz IFRZZUJARDUPJY-UHFFFAOYSA-N 0 3 375.425 0.322 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000472923209 1189398642 /nfs/dbraw/zinc/39/86/42/1189398642.db2.gz IZFMXKWIQRQDLI-OAHLLOKOSA-N 0 3 387.484 0.608 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000377994588 1189403090 /nfs/dbraw/zinc/40/30/90/1189403090.db2.gz LCPZABVOLAHETL-HNNXBMFYSA-N 0 3 384.502 0.760 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000472927342 1189403427 /nfs/dbraw/zinc/40/34/27/1189403427.db2.gz XHCTUWAFHFZOKU-IRXDYDNUSA-N 0 3 394.564 0.007 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCCN3c4ccccc4C[C@@H]3C2)n1 ZINC000378005463 1189404758 /nfs/dbraw/zinc/40/47/58/1189404758.db2.gz NBCADLYKTCBRMJ-MRXNPFEDSA-N 0 3 383.500 0.581 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccnc1)Nc1ccc2c(c1)CNCCO2 ZINC000415972324 1189411584 /nfs/dbraw/zinc/41/15/84/1189411584.db2.gz LESITZYPBYMUAV-UHFFFAOYSA-N 0 3 391.453 0.664 20 0 GCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000415980537 1189412653 /nfs/dbraw/zinc/41/26/53/1189412653.db2.gz ZLKJAUSTKJTXPG-UHFFFAOYSA-N 0 3 389.456 0.369 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCC(C)(C)N3CCOCC3)C2)CC1 ZINC000378096297 1189414287 /nfs/dbraw/zinc/41/42/87/1189414287.db2.gz CQHUKZNTOOAMCM-SFHVURJKSA-N 0 3 381.565 0.907 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)CC1(C)OCCO1 ZINC000378178015 1189437584 /nfs/dbraw/zinc/43/75/84/1189437584.db2.gz LWWIWYRMTCDCJS-CVEARBPZSA-N 0 3 382.505 0.724 20 0 GCADHN COc1cc(OC)c(OC)cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000378184080 1189438054 /nfs/dbraw/zinc/43/80/54/1189438054.db2.gz LJPYXWMIXNZXNG-CHWSQXEVSA-N 0 3 393.440 0.630 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@H]2CCCC[C@@H]12 ZINC000659908519 1189444827 /nfs/dbraw/zinc/44/48/27/1189444827.db2.gz IZYMSBSKEAQGIT-OWSLCNJRSA-N 0 3 390.528 0.789 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@@H]2CCCC[C@H]21 ZINC000659908521 1189444839 /nfs/dbraw/zinc/44/48/39/1189444839.db2.gz IZYMSBSKEAQGIT-XDNAFOTISA-N 0 3 390.528 0.789 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000041640524 1189455372 /nfs/dbraw/zinc/45/53/72/1189455372.db2.gz ZJNMBMKTOFOCRP-CQSZACIVSA-N 0 3 378.473 0.785 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000041640227 1189455493 /nfs/dbraw/zinc/45/54/93/1189455493.db2.gz YBGIOGRMYPYCAV-CQSZACIVSA-N 0 3 376.457 0.539 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1OCC(N)=O ZINC000041711693 1189456832 /nfs/dbraw/zinc/45/68/32/1189456832.db2.gz WEKRJUWTLQCHCE-CYBMUJFWSA-N 0 3 392.456 0.346 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000041719575 1189457911 /nfs/dbraw/zinc/45/79/11/1189457911.db2.gz FVMRBZAGHJVDAW-UHFFFAOYSA-N 0 3 387.484 0.271 20 0 GCADHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000378305939 1189468097 /nfs/dbraw/zinc/46/80/97/1189468097.db2.gz KPDRPCNKXYCNRT-WMLDXEAASA-N 0 3 380.514 0.504 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000378305714 1189468423 /nfs/dbraw/zinc/46/84/23/1189468423.db2.gz CIHVPOPPKKULNV-MAUKXSAKSA-N 0 3 394.541 0.693 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000378305720 1189468769 /nfs/dbraw/zinc/46/87/69/1189468769.db2.gz CIHVPOPPKKULNV-YJBOKZPZSA-N 0 3 394.541 0.693 20 0 GCADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000378302242 1189469044 /nfs/dbraw/zinc/46/90/44/1189469044.db2.gz VISVNKYVKSKQOK-KRWDZBQOSA-N 0 3 396.488 0.049 20 0 GCADHN CCOc1ccc(C[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C(=O)OC)cc1 ZINC000378310543 1189472590 /nfs/dbraw/zinc/47/25/90/1189472590.db2.gz CTXZSFOIWHSEQG-HKUYNNGSSA-N 0 3 389.496 0.923 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000274391878 1189484760 /nfs/dbraw/zinc/48/47/60/1189484760.db2.gz CHEUFTXYMUYYKW-UHFFFAOYSA-N 0 3 387.444 0.044 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000659964435 1189489117 /nfs/dbraw/zinc/48/91/17/1189489117.db2.gz PWGCMYAKATYHMG-RTBURBONSA-N 0 3 386.496 0.262 20 0 GCADHN COC[C@@]1(CN(C)C)COCCN1C(=O)CCCn1ccc(C(=O)OC)n1 ZINC000893225914 1189498024 /nfs/dbraw/zinc/49/80/24/1189498024.db2.gz JZRYJPMUAQHLDD-SFHVURJKSA-N 0 3 382.461 0.256 20 0 GCADHN COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000893236516 1189506234 /nfs/dbraw/zinc/50/62/34/1189506234.db2.gz HVJUFDLQHCXICP-CABCVRRESA-N 0 3 392.504 0.687 20 0 GCADHN COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000893236518 1189506268 /nfs/dbraw/zinc/50/62/68/1189506268.db2.gz HVJUFDLQHCXICP-HUUCEWRRSA-N 0 3 392.504 0.687 20 0 GCADHN C[C@H](CNC(=O)N1CCC(N2CCCOC2=O)CC1)CN1CCN(C)CC1 ZINC000893239090 1189510147 /nfs/dbraw/zinc/51/01/47/1189510147.db2.gz XZLVNHJWTLUBIT-MRXNPFEDSA-N 0 3 381.521 0.886 20 0 GCADHN CCOC(=O)N1C[C@H](NC(=O)NC[C@H](C)CN2CCN(CC)CC2)[C@@H](CO)C1 ZINC000893238310 1189510323 /nfs/dbraw/zinc/51/03/23/1189510323.db2.gz RGFCFPSCWGDLJI-BBWFWOEESA-N 0 3 399.536 0.008 20 0 GCADHN COC(=O)[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@H](C(=O)OC)C1 ZINC000378602891 1189546644 /nfs/dbraw/zinc/54/66/44/1189546644.db2.gz YBVRRKDQQXZUAB-HOTGVXAUSA-N 0 3 396.484 0.975 20 0 GCADHN C[C@H](O)CN1CCN(c2ccnc(N3CCN(C[C@H](C)O)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000893258906 1189549942 /nfs/dbraw/zinc/54/99/42/1189549942.db2.gz MCTZQDVNTOGFTO-XSLAGTTESA-N 0 3 392.548 0.259 20 0 GCADHN COCC(COC)N1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000416573099 1189553008 /nfs/dbraw/zinc/55/30/08/1189553008.db2.gz SVJZJIXRXQFAEW-UHFFFAOYSA-N 0 3 385.530 0.716 20 0 GCADHN CC(=O)c1cccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000416575033 1189553419 /nfs/dbraw/zinc/55/34/19/1189553419.db2.gz ACFZAEGPVRYWPI-UHFFFAOYSA-N 0 3 395.525 0.964 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000416580655 1189557072 /nfs/dbraw/zinc/55/70/72/1189557072.db2.gz JKMRKNFXGFCGRD-UHFFFAOYSA-N 0 3 395.525 0.964 20 0 GCADHN COC(=O)c1cn([C@@H]2CCN(CCOc3ccc(S(N)(=O)=O)cc3)C2)nn1 ZINC000363908369 1189568661 /nfs/dbraw/zinc/56/86/61/1189568661.db2.gz LSGUUQROTIRWBR-GFCCVEGCSA-N 0 3 395.441 0.038 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000416683557 1189572042 /nfs/dbraw/zinc/57/20/42/1189572042.db2.gz KQDVWVAKEDBBIX-ZIAGYGMSSA-N 0 3 375.464 0.568 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CC2)C[C@H](C)O1 ZINC000363914305 1189573150 /nfs/dbraw/zinc/57/31/50/1189573150.db2.gz QXUDUCACKYUHFU-CIRFHOKZSA-N 0 3 396.532 0.940 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)c1ccco1 ZINC000416809644 1189585996 /nfs/dbraw/zinc/58/59/96/1189585996.db2.gz JIJXXDSBLGCNDY-JKSUJKDBSA-N 0 3 377.489 0.736 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000108873391 1189591477 /nfs/dbraw/zinc/59/14/77/1189591477.db2.gz TYFBUDFJNNQFRH-HDICACEKSA-N 0 3 394.560 0.888 20 0 GCADHN CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000660121401 1189596281 /nfs/dbraw/zinc/59/62/81/1189596281.db2.gz VPUGCVHTWGHWAM-SJORKVTESA-N 0 3 378.517 0.790 20 0 GCADHN CCC[C@@H]1CNCCN1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000416946732 1189599177 /nfs/dbraw/zinc/59/91/77/1189599177.db2.gz ISULQYJEBZXQGA-QGZVFWFLSA-N 0 3 375.521 0.772 20 0 GCADHN COC(=O)c1cn([C@@H]2CCCN(CCCN3C(=O)NC(C)(C)C3=O)C2)nn1 ZINC000363996732 1189607129 /nfs/dbraw/zinc/60/71/29/1189607129.db2.gz FNEIERVHIUKMKD-GFCCVEGCSA-N 0 3 378.433 0.422 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2C[C@H](C)NC[C@@H]2C)cc1 ZINC000417121924 1189618451 /nfs/dbraw/zinc/61/84/51/1189618451.db2.gz AAOMQPJKJPDIGP-KBPBESRZSA-N 0 3 384.502 0.503 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000417121925 1189618937 /nfs/dbraw/zinc/61/89/37/1189618937.db2.gz AAOMQPJKJPDIGP-KGLIPLIRSA-N 0 3 384.502 0.503 20 0 GCADHN CCNc1nc(NCC2CCN(S(C)(=O)=O)CC2)nc(NC(C)(C)C)n1 ZINC000584672008 1189620503 /nfs/dbraw/zinc/62/05/03/1189620503.db2.gz XEAZYKTYMNAFBW-UHFFFAOYSA-N 0 3 385.538 0.441 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCN[C@H](C)[C@@H]2C)cc1 ZINC000417134259 1189623755 /nfs/dbraw/zinc/62/37/55/1189623755.db2.gz XPSDEGXFKXEDSW-KGLIPLIRSA-N 0 3 384.502 0.503 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000668900832 1189631049 /nfs/dbraw/zinc/63/10/49/1189631049.db2.gz XPMDTWNBGPHSIF-GVDBMIGSSA-N 0 3 380.533 0.986 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000660176943 1189635521 /nfs/dbraw/zinc/63/55/21/1189635521.db2.gz MNWUDZMRVRQKIK-SJORKVTESA-N 0 3 379.457 0.576 20 0 GCADHN COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000364064748 1189639353 /nfs/dbraw/zinc/63/93/53/1189639353.db2.gz UYDUEKOXVAXOLK-HZPDHXFCSA-N 0 3 397.497 0.204 20 0 GCADHN COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000364064749 1189639486 /nfs/dbraw/zinc/63/94/86/1189639486.db2.gz UYDUEKOXVAXOLK-JKSUJKDBSA-N 0 3 397.497 0.204 20 0 GCADHN COc1ccc2ccccc2c1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584731004 1189642904 /nfs/dbraw/zinc/64/29/04/1189642904.db2.gz DJIJIJSZTJQUDH-WMLDXEAASA-N 0 3 396.447 0.235 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)C2=O)n(C)n1 ZINC000893302725 1189650913 /nfs/dbraw/zinc/65/09/13/1189650913.db2.gz HMCGJDHPPPXGQO-ARFHVFGLSA-N 0 3 390.488 0.074 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)C2=O)n(C)n1 ZINC000893302733 1189651694 /nfs/dbraw/zinc/65/16/94/1189651694.db2.gz HMCGJDHPPPXGQO-JYJNAYRXSA-N 0 3 390.488 0.074 20 0 GCADHN C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)CCN1 ZINC000584768228 1189656850 /nfs/dbraw/zinc/65/68/50/1189656850.db2.gz SAWBAHKFUVACLC-HNNXBMFYSA-N 0 3 395.529 0.838 20 0 GCADHN CC[C@@H](CN1CCOCC1)NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000925608665 1189679498 /nfs/dbraw/zinc/67/94/98/1189679498.db2.gz HFHBLMFUFYTSPW-KRWDZBQOSA-N 0 3 395.548 0.613 20 0 GCADHN C[C@@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000660232626 1189680573 /nfs/dbraw/zinc/68/05/73/1189680573.db2.gz XDURXEGXQVHICH-CJNGLKHVSA-N 0 3 396.513 0.948 20 0 GCADHN O=C(N[C@@H]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000974343024 1189682846 /nfs/dbraw/zinc/68/28/46/1189682846.db2.gz AOUXBDSPFMGHDR-UHLGDLQKSA-N 0 3 375.469 0.181 20 0 GCADHN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000974343521 1189683415 /nfs/dbraw/zinc/68/34/15/1189683415.db2.gz BAOMGJDLLDMXEJ-QJNIUWORSA-N 0 3 387.480 0.036 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000584839695 1189686836 /nfs/dbraw/zinc/68/68/36/1189686836.db2.gz FAAUVVQYLSIGOL-INIZCTEOSA-N 0 3 379.436 0.601 20 0 GCADHN O=C(NCC[C@@]1(O)CCCOC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000651439672 1189689107 /nfs/dbraw/zinc/68/91/07/1189689107.db2.gz SGESPDDWBDJHCG-PMACEKPBSA-N 0 3 377.485 0.854 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)N2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000636523931 1189697573 /nfs/dbraw/zinc/69/75/73/1189697573.db2.gz YWMNSFBVGLZADK-UHFFFAOYSA-N 0 3 381.565 0.909 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2C[C@H](C)NC[C@@H]2C)c1 ZINC000417749512 1189701576 /nfs/dbraw/zinc/70/15/76/1189701576.db2.gz VGMKGVZVXWTLEY-KBPBESRZSA-N 0 3 384.502 0.503 20 0 GCADHN Cc1noc([C@@H](C)N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)CC2)n1 ZINC000660279055 1189704081 /nfs/dbraw/zinc/70/40/81/1189704081.db2.gz IBSNELOUSLTQKT-BMFZPTHFSA-N 0 3 390.488 0.278 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc2c1OCCC2=O ZINC000364216020 1189713274 /nfs/dbraw/zinc/71/32/74/1189713274.db2.gz MAACYOVFUWWKNQ-AWEZNQCLSA-N 0 3 388.468 0.733 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)nn1 ZINC000500110648 1189717883 /nfs/dbraw/zinc/71/78/83/1189717883.db2.gz OZENVFOABJIUJK-PBHICJAKSA-N 0 3 386.456 0.913 20 0 GCADHN CN(C)CCN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCCCC1 ZINC000364252292 1189722591 /nfs/dbraw/zinc/72/25/91/1189722591.db2.gz VLILURAKYDATJY-DOTOQJQBSA-N 0 3 399.557 0.745 20 0 GCADHN CCN1C(=O)[C@H]2CN(CC(=O)NC[C@@H](c3ccccc3)N(C)C)CCN2C1=O ZINC000364281548 1189731203 /nfs/dbraw/zinc/73/12/03/1189731203.db2.gz MKZMCWBSQVKMOV-DLBZAZTESA-N 0 3 387.484 0.374 20 0 GCADHN COc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CNCCO3)C2=O)c(OC)c1 ZINC000418192776 1189734854 /nfs/dbraw/zinc/73/48/54/1189734854.db2.gz CCSLWSFFVWXVKF-JKSUJKDBSA-N 0 3 392.456 0.092 20 0 GCADHN COC1(CO)CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000660363352 1189742023 /nfs/dbraw/zinc/74/20/23/1189742023.db2.gz VWORTFGFLMIDHB-GOSISDBHSA-N 0 3 389.496 0.719 20 0 GCADHN Nc1ncnc2c1ncn2CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617977985 1189748734 /nfs/dbraw/zinc/74/87/34/1189748734.db2.gz MDPOYLCRCCCZDG-UHFFFAOYSA-N 0 3 380.456 0.832 20 0 GCADHN CN1CCN(CCCNC(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](c2ccccc2)C1 ZINC000298276161 1189754480 /nfs/dbraw/zinc/75/44/80/1189754480.db2.gz GTQFGMBYGZUAQU-IAGOWNOFSA-N 0 3 387.484 0.470 20 0 GCADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC(n2cc(CNCCC3CC3)nn2)C1 ZINC001105289969 1189768650 /nfs/dbraw/zinc/76/86/50/1189768650.db2.gz MZKDSVIMLDTIGL-JCGIZDLHSA-N 0 3 375.473 0.603 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(S(=O)(=O)NC)ccc2C)CC1 ZINC000046946384 1189774564 /nfs/dbraw/zinc/77/45/64/1189774564.db2.gz AJLKBCHTGUFURZ-HNNXBMFYSA-N 0 3 382.530 0.659 20 0 GCADHN COC(=O)c1ccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C ZINC000893354630 1189774919 /nfs/dbraw/zinc/77/49/19/1189774919.db2.gz OOFYHENZUAVVGB-QGZVFWFLSA-N 0 3 375.469 0.804 20 0 GCADHN CCc1ccc([C@H](CNC(=O)CNS(=O)(=O)c2cnn(C)c2)N(C)C)cc1 ZINC000047054860 1189779112 /nfs/dbraw/zinc/77/91/12/1189779112.db2.gz HPXKRMXUQROLIH-KRWDZBQOSA-N 0 3 393.513 0.680 20 0 GCADHN CN1CCC(NC(=O)c2ccc(Nc3cc(=O)[nH]c(=O)n3C3CC3)nn2)CC1 ZINC001167759845 1189785365 /nfs/dbraw/zinc/78/53/65/1189785365.db2.gz BQWDEGWBSUQVLI-UHFFFAOYSA-N 0 3 385.428 0.641 20 0 GCADHN Cc1cc(C(=O)NCC(=O)NCCN2CCCCC2)ccc1N1CCNC1=O ZINC000909325685 1189786996 /nfs/dbraw/zinc/78/69/96/1189786996.db2.gz PPOGRZFJWMASPN-UHFFFAOYSA-N 0 3 387.484 0.857 20 0 GCADHN CS(=O)(=O)Cc1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1 ZINC000909326108 1189791717 /nfs/dbraw/zinc/79/17/17/1189791717.db2.gz BRYOMWZIMKOCBS-UHFFFAOYSA-N 0 3 381.498 0.563 20 0 GCADHN O=C(CNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)NCCN1CCCCC1 ZINC000909326346 1189792195 /nfs/dbraw/zinc/79/21/95/1189792195.db2.gz WJZFFVLOWKAJAI-KRWDZBQOSA-N 0 3 390.459 0.897 20 0 GCADHN O=C(CNC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)NCCN1CCCCC1 ZINC000909326347 1189792560 /nfs/dbraw/zinc/79/25/60/1189792560.db2.gz WJZFFVLOWKAJAI-QGZVFWFLSA-N 0 3 390.459 0.897 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2C[C@H](O)C[C@H]2CO)CC1 ZINC000364416210 1189792989 /nfs/dbraw/zinc/79/29/89/1189792989.db2.gz OIJPJZNYGHGLDT-RBUKOAKNSA-N 0 3 376.501 0.461 20 0 GCADHN O=C(CCN1C(=O)COc2ccccc21)NCC(=O)NCCN1CCCCC1 ZINC000909326552 1189793628 /nfs/dbraw/zinc/79/36/28/1189793628.db2.gz DEMAPASEDHKSDU-UHFFFAOYSA-N 0 3 388.468 0.520 20 0 GCADHN O=C(CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)NCCN1CCCCC1 ZINC000909329333 1189800880 /nfs/dbraw/zinc/80/08/80/1189800880.db2.gz ZSMHKDZOBVWXJT-GOSISDBHSA-N 0 3 386.496 0.753 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC(n2cc(CNCC[C@@H]3CCOC3)nn2)C1 ZINC001105331636 1189823636 /nfs/dbraw/zinc/82/36/36/1189823636.db2.gz JGSWESGBDZUABL-PILAGYSTSA-N 0 3 375.473 0.745 20 0 GCADHN COC[C@]1(CO)CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000660470358 1189842499 /nfs/dbraw/zinc/84/24/99/1189842499.db2.gz OOTMGTKOICWXFF-GHTZIAJQSA-N 0 3 389.496 0.577 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000660470731 1189844953 /nfs/dbraw/zinc/84/49/53/1189844953.db2.gz YRELSITUHCDICA-UWJYYQICSA-N 0 3 386.496 0.704 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cccnc2-c2cnn(C)c2)CCSC1 ZINC000467229501 1189882395 /nfs/dbraw/zinc/88/23/95/1189882395.db2.gz LFVAWZNZVRLJDP-GOSISDBHSA-N 0 3 388.497 0.974 20 0 GCADHN CC(C)c1nnc(CNC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)[nH]1 ZINC001026969115 1189897448 /nfs/dbraw/zinc/89/74/48/1189897448.db2.gz MCUBEBXFEIVZAI-QBYUYEEZSA-N 0 3 377.489 0.918 20 0 GCADHN CN(CCN1CCN(Cc2ccccc2)CC1)CC1(O)CCS(=O)(=O)CC1 ZINC000511838982 1189905739 /nfs/dbraw/zinc/90/57/39/1189905739.db2.gz SDLLCPIHAFYSAX-UHFFFAOYSA-N 0 3 395.569 0.676 20 0 GCADHN CO[C@@H]1CCCC[C@H]1NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000489441425 1189907064 /nfs/dbraw/zinc/90/70/64/1189907064.db2.gz DKHHVCSXHYNACZ-YLFCFFPRSA-N 0 3 388.530 0.728 20 0 GCADHN CO[C@@H]1CCCC[C@H]1NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000489441123 1189907181 /nfs/dbraw/zinc/90/71/81/1189907181.db2.gz DKHHVCSXHYNACZ-MWDXBVQZSA-N 0 3 388.530 0.728 20 0 GCADHN CN(CCOC(C)(C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000660682604 1189934089 /nfs/dbraw/zinc/93/40/89/1189934089.db2.gz HCOFPWTZPOWLOR-OAHLLOKOSA-N 0 3 382.505 0.025 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC000660706001 1189938184 /nfs/dbraw/zinc/93/81/84/1189938184.db2.gz ZFQBJBUOQXTAOC-HUUCEWRRSA-N 0 3 376.457 0.820 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC000660705998 1189938388 /nfs/dbraw/zinc/93/83/88/1189938388.db2.gz ZFQBJBUOQXTAOC-CABCVRRESA-N 0 3 376.457 0.820 20 0 GCADHN C[C@@H]1CN(CCN(C)CCOc2ccc(S(N)(=O)=O)cc2F)C[C@@H](C)O1 ZINC000660753129 1189946463 /nfs/dbraw/zinc/94/64/63/1189946463.db2.gz GJLDLHYSBJUYSE-ZIAGYGMSSA-N 0 3 389.493 0.893 20 0 GCADHN COC(=O)c1ccc(F)c(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000049277688 1189954434 /nfs/dbraw/zinc/95/44/34/1189954434.db2.gz NEZYIAYHBJVSLR-UHFFFAOYSA-N 0 3 380.420 0.305 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cc3c(cc2Cl)OCCO3)CC1 ZINC000049278033 1189954509 /nfs/dbraw/zinc/95/45/09/1189954509.db2.gz LNFPKJCIOFEFAH-UHFFFAOYSA-N 0 3 396.875 0.803 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000660853173 1189956247 /nfs/dbraw/zinc/95/62/47/1189956247.db2.gz RJXKNHLJOBQRGM-SJORKVTESA-N 0 3 381.521 0.045 20 0 GCADHN NC(=O)[C@H]1CC[C@@H](CNC(=O)NCC2CCN(Cc3ccncc3)CC2)O1 ZINC000660895068 1189964376 /nfs/dbraw/zinc/96/43/76/1189964376.db2.gz MUKAVJZXWRIQRN-DLBZAZTESA-N 0 3 375.473 0.626 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)CN(C)C4CCC4)[C@H]3C2)C1 ZINC000975734735 1189968396 /nfs/dbraw/zinc/96/83/96/1189968396.db2.gz PEIGYQZVVAHIIT-ATLSCFEFSA-N 0 3 390.528 0.835 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CN4CCCC4)[C@H]3C2)O1 ZINC000975780164 1189975101 /nfs/dbraw/zinc/97/51/01/1189975101.db2.gz SJRQMMVHWLDEAJ-VSZNYVQBSA-N 0 3 378.517 0.251 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)c4cnc[n-]c4=O)C[C@@H]32)CC[N@@H+]1C ZINC000975774835 1189975972 /nfs/dbraw/zinc/97/59/72/1189975972.db2.gz NCRGZODAWOWPEX-DIECFANBSA-N 0 3 387.484 0.976 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)c4cnc[n-]c4=O)C[C@@H]32)CC[N@H+]1C ZINC000975774835 1189975975 /nfs/dbraw/zinc/97/59/75/1189975975.db2.gz NCRGZODAWOWPEX-DIECFANBSA-N 0 3 387.484 0.976 20 0 GCADHN CC1CCN(CC(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4OCCO[C@H]4C)C[C@@H]32)CC1 ZINC000975775651 1189976062 /nfs/dbraw/zinc/97/60/62/1189976062.db2.gz BXFOXGYUBYOWHZ-JPLJXNOCSA-N 0 3 393.528 0.972 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)C[C@@H]21 ZINC000661066164 1189986470 /nfs/dbraw/zinc/98/64/70/1189986470.db2.gz ZAHNZTAEFGCEKB-NJAFHUGGSA-N 0 3 379.501 0.726 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC000975897863 1189990597 /nfs/dbraw/zinc/99/05/97/1189990597.db2.gz GTMLJWSXADMGCD-QXSJWSMHSA-N 0 3 387.484 0.894 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC000975897863 1189990599 /nfs/dbraw/zinc/99/05/99/1189990599.db2.gz GTMLJWSXADMGCD-QXSJWSMHSA-N 0 3 387.484 0.894 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000647706024 1189992428 /nfs/dbraw/zinc/99/24/28/1189992428.db2.gz ALMHPTJJKHMKOV-JKSUJKDBSA-N 0 3 381.498 0.654 20 0 GCADHN CC1(C)CCN(CC(=O)N2CC[C@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)C1 ZINC000976029927 1190000024 /nfs/dbraw/zinc/00/00/24/1190000024.db2.gz RKHUVFMMRVPBSV-FZKCQIBNSA-N 0 3 376.501 0.289 20 0 GCADHN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC(C(N)=O)(N3CCCCC3)CC1)CS2 ZINC000893429995 1190006588 /nfs/dbraw/zinc/00/65/88/1190006588.db2.gz XZCSIZNMKWKSSO-KDOFPFPSSA-N 0 3 394.541 0.773 20 0 GCADHN CN(C)S(=O)(=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000661210324 1190015976 /nfs/dbraw/zinc/01/59/76/1190015976.db2.gz KJEHYZDYQCDNQI-UHFFFAOYSA-N 0 3 383.518 0.484 20 0 GCADHN CCS(=O)(=O)c1ccc(CCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662750568 1190016371 /nfs/dbraw/zinc/01/63/71/1190016371.db2.gz OBHWKRIJXDVZTK-UHFFFAOYSA-N 0 3 378.454 0.684 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CNC(=O)c2ccccc2C(F)(F)F)n1 ZINC000662750611 1190016457 /nfs/dbraw/zinc/01/64/57/1190016457.db2.gz PENOULCKTOHWEM-UHFFFAOYSA-N 0 3 383.330 0.706 20 0 GCADHN COc1ccccc1[C@](N)(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(F)(F)F ZINC000662748835 1190016795 /nfs/dbraw/zinc/01/67/95/1190016795.db2.gz DNQIUJZNQDMQLN-HNNXBMFYSA-N 0 3 385.346 0.682 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)n1 ZINC000662751674 1190017630 /nfs/dbraw/zinc/01/76/30/1190017630.db2.gz MUTLIGRRONNFMD-VIFPVBQESA-N 0 3 377.351 0.588 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)n1 ZINC000662751673 1190017656 /nfs/dbraw/zinc/01/76/56/1190017656.db2.gz MUTLIGRRONNFMD-SECBINFHSA-N 0 3 377.351 0.588 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)n1 ZINC000662754318 1190018329 /nfs/dbraw/zinc/01/83/29/1190018329.db2.gz KVGINMPOVVHWRJ-JTQLQIEISA-N 0 3 375.816 0.964 20 0 GCADHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662749152 1190018410 /nfs/dbraw/zinc/01/84/10/1190018410.db2.gz HERWCZKFHAZAFD-HNNXBMFYSA-N 0 3 385.424 0.571 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000662752100 1190019371 /nfs/dbraw/zinc/01/93/71/1190019371.db2.gz HBEKKXIMZQKNJR-UHFFFAOYSA-N 0 3 391.453 0.355 20 0 GCADHN CS(=O)(=O)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893444331 1190024218 /nfs/dbraw/zinc/02/42/18/1190024218.db2.gz PMCCQUXPIHDTCJ-QZTJIDSGSA-N 0 3 395.525 0.972 20 0 GCADHN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@H](CO)CN(C)C ZINC000647710094 1190041483 /nfs/dbraw/zinc/04/14/83/1190041483.db2.gz LRHNNAGPSOTYCW-LBPRGKRZSA-N 0 3 379.486 0.481 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(CC4CCOCC4)CC3)[C@@H]2C1 ZINC000661403653 1190043383 /nfs/dbraw/zinc/04/33/83/1190043383.db2.gz YAIQTOPSSKTITP-QZTJIDSGSA-N 0 3 378.517 0.110 20 0 GCADHN C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000661462703 1190053490 /nfs/dbraw/zinc/05/34/90/1190053490.db2.gz INMGULPIYCKWFR-WBVHZDCISA-N 0 3 382.468 0.914 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1 ZINC000647712271 1190057806 /nfs/dbraw/zinc/05/78/06/1190057806.db2.gz ZWWYXKDPXUXTBR-MRXNPFEDSA-N 0 3 383.514 0.807 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@](C)(NCC(=O)OC(C)(C)C)C3)C[C@@H]21 ZINC000411015266 1193720459 /nfs/dbraw/zinc/72/04/59/1193720459.db2.gz FVGHHTLGLPRHHE-SIFCLUCFSA-N 0 3 394.516 0.071 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCOCC3(CCC3)C2)CC1 ZINC000410996461 1193720587 /nfs/dbraw/zinc/72/05/87/1193720587.db2.gz IWILLOYJNLUMLQ-UHFFFAOYSA-N 0 3 394.516 0.028 20 0 GCADHN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000411018248 1193720816 /nfs/dbraw/zinc/72/08/16/1193720816.db2.gz LDZQVBMUBRFKDD-ZACQAIPSSA-N 0 3 378.517 0.646 20 0 GCADHN C[C@H](NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[C@H](C)N1CCOCC1 ZINC000246544959 1193723437 /nfs/dbraw/zinc/72/34/37/1193723437.db2.gz XTDBVOUKVUCYNT-ABSDTBQOSA-N 0 3 390.528 0.814 20 0 GCADHN Cn1ncc2c1CCC[C@@H]2NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512642949 1193724634 /nfs/dbraw/zinc/72/46/34/1193724634.db2.gz UNJARNYOWITIPA-KRWDZBQOSA-N 0 3 378.521 0.487 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C[C@H](C)O1 ZINC000411050607 1193725224 /nfs/dbraw/zinc/72/52/24/1193725224.db2.gz ZXMPCRCULNEVLO-HOCLYGCPSA-N 0 3 383.514 0.901 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000512646620 1193726080 /nfs/dbraw/zinc/72/60/80/1193726080.db2.gz BTJFYFIKRPLIIZ-SFHVURJKSA-N 0 3 376.501 0.679 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC(C)(C)[C@@]1(O)CCCOC1 ZINC000663916978 1193726966 /nfs/dbraw/zinc/72/69/66/1193726966.db2.gz UBKXSPKWRIAGNW-OXJNMPFZSA-N 0 3 398.548 0.796 20 0 GCADHN C[C@H](CNC(=O)C1(CC(=O)N2CCOCC2)CCCC1)CN1CCN(C)CC1 ZINC000512675229 1193731692 /nfs/dbraw/zinc/73/16/92/1193731692.db2.gz GUPDPCUWKPMAGL-GOSISDBHSA-N 0 3 394.560 0.795 20 0 GCADHN C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000663949230 1193736969 /nfs/dbraw/zinc/73/69/69/1193736969.db2.gz ATJYDYFMLPANCA-KCXAZCMYSA-N 0 3 384.502 0.314 20 0 GCADHN C[C@@H](CS(C)(=O)=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000433090247 1193748626 /nfs/dbraw/zinc/74/86/26/1193748626.db2.gz RHKAQSNAJOETTN-GOEBONIOSA-N 0 3 386.489 0.866 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000512749681 1193751265 /nfs/dbraw/zinc/75/12/65/1193751265.db2.gz NFBGANWLBRMYFS-CQSZACIVSA-N 0 3 376.457 0.554 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(C)c2C(=O)OC)CC1 ZINC000512750526 1193751413 /nfs/dbraw/zinc/75/14/13/1193751413.db2.gz SAXFBQOGQYCIKE-OAHLLOKOSA-N 0 3 390.484 0.862 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(F)c2C(=O)OC)CC1 ZINC000512751287 1193751866 /nfs/dbraw/zinc/75/18/66/1193751866.db2.gz XHFXLCNUHHFMCD-ZDUSSCGKSA-N 0 3 394.447 0.693 20 0 GCADHN COc1cc2c(cc1OC)CN(CCNC(=O)C(=O)N1CCCNCC1)CC2 ZINC000419241067 1193755457 /nfs/dbraw/zinc/75/54/57/1193755457.db2.gz RUTHZDDQTHOZGU-UHFFFAOYSA-N 0 3 390.484 0.000 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(C)cc2C(=O)OC)CC1 ZINC000512764785 1193761350 /nfs/dbraw/zinc/76/13/50/1193761350.db2.gz LTMLWGJJVWRJRR-UHFFFAOYSA-N 0 3 390.484 0.864 20 0 GCADHN O=C(CN1CC[C@]2(CNC(=O)C2)C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000333012158 1193767262 /nfs/dbraw/zinc/76/72/62/1193767262.db2.gz GASKHJAOAHVFRZ-NRFANRHFSA-N 0 3 384.480 0.619 20 0 GCADHN CC(C)Cn1c(N)c(C(=O)CN[C@H](CCO)C2CCCCC2)c(=O)n(C)c1=O ZINC000411495702 1193767695 /nfs/dbraw/zinc/76/76/95/1193767695.db2.gz WKZCXKCVMILSOT-OAHLLOKOSA-N 0 3 394.516 0.889 20 0 GCADHN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC(CN2CCOCC2)CC1 ZINC000051957744 1193772534 /nfs/dbraw/zinc/77/25/34/1193772534.db2.gz KVNQVVRQKGMOPZ-WBVHZDCISA-N 0 3 387.546 0.065 20 0 GCADHN Cn1cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c(-c2ccccc2)n1 ZINC000411563136 1193773499 /nfs/dbraw/zinc/77/34/99/1193773499.db2.gz BFXXDTNEUGEFHM-INIZCTEOSA-N 0 3 385.468 0.989 20 0 GCADHN CNC(=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000512808030 1193774053 /nfs/dbraw/zinc/77/40/53/1193774053.db2.gz MRYWYVSTXJMIMJ-UHFFFAOYSA-N 0 3 377.489 0.558 20 0 GCADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCN3CCN(C)CC3)C2)c1 ZINC000279960421 1193778663 /nfs/dbraw/zinc/77/86/63/1193778663.db2.gz MQQCBPWJBPCRAP-LJQANCHMSA-N 0 3 390.484 0.951 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419283851 1193786034 /nfs/dbraw/zinc/78/60/34/1193786034.db2.gz ZQFOBKKNLNSAMN-KURKYZTESA-N 0 3 382.464 0.987 20 0 GCADHN COC(=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000512846854 1193787889 /nfs/dbraw/zinc/78/78/89/1193787889.db2.gz RIUQNEHNLCKCOM-UHFFFAOYSA-N 0 3 378.473 0.985 20 0 GCADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000250943510 1193790477 /nfs/dbraw/zinc/79/04/77/1193790477.db2.gz KOGBMUTXYCWTBL-SJORKVTESA-N 0 3 380.514 0.984 20 0 GCADHN CCOC(=O)c1cccc(OC[C@@H](O)CN2CCC(NC(=O)NC)CC2)c1 ZINC000412055834 1193803386 /nfs/dbraw/zinc/80/33/86/1193803386.db2.gz QIOPNPIODONZKH-INIZCTEOSA-N 0 3 379.457 0.996 20 0 GCADHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419322272 1193811333 /nfs/dbraw/zinc/81/13/33/1193811333.db2.gz GIXXCCHYPLALFF-KSZLIROESA-N 0 3 375.469 0.684 20 0 GCADHN C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O)N1[C@H](C)CC[C@@H]1C ZINC000412196358 1193811568 /nfs/dbraw/zinc/81/15/68/1193811568.db2.gz DKKVOTLEQSSOBC-DFGXFYAUSA-N 0 3 388.512 0.967 20 0 GCADHN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419323182 1193814154 /nfs/dbraw/zinc/81/41/54/1193814154.db2.gz UBKZWMYPSWGKCY-FRRDWIJNSA-N 0 3 378.477 0.582 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1cccc(OC(F)(F)F)c1 ZINC000419322571 1193815369 /nfs/dbraw/zinc/81/53/69/1193815369.db2.gz SMVRBDANQMCSDT-ZWNOBZJWSA-N 0 3 375.347 0.867 20 0 GCADHN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000247875384 1193826867 /nfs/dbraw/zinc/82/68/67/1193826867.db2.gz YLJIQUUHKFXQLX-NCXUSEDFSA-N 0 3 381.565 0.906 20 0 GCADHN CC[C@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000614341429 1193828088 /nfs/dbraw/zinc/82/80/88/1193828088.db2.gz IUGHIYQBANGSAO-ZDUSSCGKSA-N 0 3 379.486 0.784 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000263275546 1193835640 /nfs/dbraw/zinc/83/56/40/1193835640.db2.gz YGTXFXYJOKXHNE-AWEZNQCLSA-N 0 3 376.486 0.439 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000419350609 1193843224 /nfs/dbraw/zinc/84/32/24/1193843224.db2.gz WNJDAQXURNDADD-QGZVFWFLSA-N 0 3 386.427 0.417 20 0 GCADHN CN1CCN(CCCCNC(=O)NC[C@@H](O)COc2cccc(F)c2)CC1 ZINC000728948379 1193846113 /nfs/dbraw/zinc/84/61/13/1193846113.db2.gz LJKFEVSFXRHCNX-QGZVFWFLSA-N 0 3 382.480 0.892 20 0 GCADHN COc1ccc(CN2CC[C@@H](NC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)C2=O)cc1 ZINC000664141191 1193861017 /nfs/dbraw/zinc/86/10/17/1193861017.db2.gz OWQCYGDOZURPKE-IKGGRYGDSA-N 0 3 376.457 0.112 20 0 GCADHN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000419362418 1193866171 /nfs/dbraw/zinc/86/61/71/1193866171.db2.gz VBYDEXGYPMGTPS-SJORKVTESA-N 0 3 394.903 0.698 20 0 GCADHN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419362415 1193866281 /nfs/dbraw/zinc/86/62/81/1193866281.db2.gz VBYDEXGYPMGTPS-DLBZAZTESA-N 0 3 394.903 0.698 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000576421507 1193876840 /nfs/dbraw/zinc/87/68/40/1193876840.db2.gz VAXBRHHUVZKOIS-NEPJUHHUSA-N 0 3 380.411 0.948 20 0 GCADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000576421508 1193877025 /nfs/dbraw/zinc/87/70/25/1193877025.db2.gz VAXBRHHUVZKOIS-NWDGAFQWSA-N 0 3 380.411 0.948 20 0 GCADHN C[C@H]1NC(=O)CC[C@@H]1NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000333261365 1193879590 /nfs/dbraw/zinc/87/95/90/1193879590.db2.gz FULJBFRFGFSBGB-WBVHZDCISA-N 0 3 378.517 0.884 20 0 GCADHN COc1cc(CN2CCN(CC(C)(C)O)CC2)cc(OC)c1OCC(N)=O ZINC000513127448 1193885331 /nfs/dbraw/zinc/88/53/31/1193885331.db2.gz IIDHNJNDCQXIAY-UHFFFAOYSA-N 0 3 381.473 0.456 20 0 GCADHN CSCC[C@H](N)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000263288416 1193886751 /nfs/dbraw/zinc/88/67/51/1193886751.db2.gz VNKYYYSZYRXLAM-INIZCTEOSA-N 0 3 380.514 0.768 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)cc1 ZINC000419382825 1193887062 /nfs/dbraw/zinc/88/70/62/1193887062.db2.gz IMKSSCHJZSRXKJ-HLLBOEOZSA-N 0 3 395.525 0.859 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000549914780 1193893785 /nfs/dbraw/zinc/89/37/85/1193893785.db2.gz GQAUCGWRNUGUAD-UHFFFAOYSA-N 0 3 376.501 0.496 20 0 GCADHN COC(=O)[C@@H]1[C@H](CNC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1(F)F ZINC000894202006 1193901675 /nfs/dbraw/zinc/90/16/75/1193901675.db2.gz BAIAXZZUMCAGPV-FFSVYQOJSA-N 0 3 384.379 0.955 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)c(C)c1 ZINC000052679979 1193905020 /nfs/dbraw/zinc/90/50/20/1193905020.db2.gz AARRYZUEVZQQLK-UHFFFAOYSA-N 0 3 389.500 0.437 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCCN(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000052692741 1193905394 /nfs/dbraw/zinc/90/53/94/1193905394.db2.gz CISZAANQJLQJJF-AWEZNQCLSA-N 0 3 379.482 0.934 20 0 GCADHN C[C@@H]1CCC[C@H](NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@H]1C ZINC000549928010 1193906101 /nfs/dbraw/zinc/90/61/01/1193906101.db2.gz JBFRWKJXRXMPOJ-QZWWFDLISA-N 0 3 380.533 0.986 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=S)NCCS(C)(=O)=O)cc2)CC1 ZINC000729153761 1193906672 /nfs/dbraw/zinc/90/66/72/1193906672.db2.gz IQWMDMQMLMIYKJ-UHFFFAOYSA-N 0 3 398.598 0.833 20 0 GCADHN C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000729266298 1193910640 /nfs/dbraw/zinc/91/06/40/1193910640.db2.gz VWOYCRVEDVUHTD-RISCZKNCSA-N 0 3 393.513 0.588 20 0 GCADHN O=C(CCN1CCCC[C@H]1C1OCCO1)N1CCN(c2ncccn2)CC1 ZINC000729294067 1193911143 /nfs/dbraw/zinc/91/11/43/1193911143.db2.gz FZSBHNALTWVEPO-INIZCTEOSA-N 0 3 375.473 0.743 20 0 GCADHN N[C@H](C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CCOCC1 ZINC000261647331 1193921942 /nfs/dbraw/zinc/92/19/42/1193921942.db2.gz DYRWVSWLAZTDRR-OALUTQOASA-N 0 3 386.496 0.690 20 0 GCADHN N[C@@H](C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261798837 1193926878 /nfs/dbraw/zinc/92/68/78/1193926878.db2.gz OAYDTBKGVJLDFP-GOSISDBHSA-N 0 3 379.432 0.629 20 0 GCADHN N[C@H](C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)C1CCOCC1 ZINC000261912273 1193931100 /nfs/dbraw/zinc/93/11/00/1193931100.db2.gz XTEAYLJCNRRJCV-SFHVURJKSA-N 0 3 387.484 0.833 20 0 GCADHN Cc1ccc(OCC(=O)N2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)cc1 ZINC000261944022 1193932440 /nfs/dbraw/zinc/93/24/40/1193932440.db2.gz JQGXPWYKZCFOTK-IBGZPJMESA-N 0 3 375.469 0.799 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)nn1 ZINC000433684573 1193934155 /nfs/dbraw/zinc/93/41/55/1193934155.db2.gz JWAHJWPCOSJBSN-GDBMZVCRSA-N 0 3 386.456 0.913 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000261998681 1193935605 /nfs/dbraw/zinc/93/56/05/1193935605.db2.gz DIZAWPLLEWYBRI-KRWDZBQOSA-N 0 3 396.513 0.899 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000262014572 1193936055 /nfs/dbraw/zinc/93/60/55/1193936055.db2.gz FSCGRQDBMHZJRI-WBMJQRKESA-N 0 3 384.502 0.214 20 0 GCADHN O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)C[C@@H]2COCCN2)c1 ZINC000262028676 1193936417 /nfs/dbraw/zinc/93/64/17/1193936417.db2.gz BFONDDVKSSJNEE-GOSISDBHSA-N 0 3 390.484 0.342 20 0 GCADHN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H](N)C1CCOCC1 ZINC000262096326 1193939170 /nfs/dbraw/zinc/93/91/70/1193939170.db2.gz UUFSVTVKEQSOCS-SFHVURJKSA-N 0 3 377.441 0.999 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CC(C)(C)OC)CC1 ZINC000513340825 1193940067 /nfs/dbraw/zinc/94/00/67/1193940067.db2.gz NUYYUBDNGSKITD-HNNXBMFYSA-N 0 3 384.521 0.319 20 0 GCADHN COC(C)(C)C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000513340811 1193940221 /nfs/dbraw/zinc/94/02/21/1193940221.db2.gz NQNDUXHGDQPILN-GJZGRUSLSA-N 0 3 382.505 0.071 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000262171881 1193940968 /nfs/dbraw/zinc/94/09/68/1193940968.db2.gz QLCQIKYODIQLFA-ZBFHGGJFSA-N 0 3 379.436 0.648 20 0 GCADHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnccc1=O)C2 ZINC001719860212 1193943151 /nfs/dbraw/zinc/94/31/51/1193943151.db2.gz JWFAJTMPZSEFGE-PMPSAXMXSA-N 0 3 375.473 0.223 20 0 GCADHN Cc1cc(C)n2nc(CC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)nc2n1 ZINC000513432822 1193950616 /nfs/dbraw/zinc/95/06/16/1193950616.db2.gz CGHSQRKCBHRGMB-HNNXBMFYSA-N 0 3 387.488 0.343 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CSc1nnnn1C1CC1 ZINC000513437275 1193951389 /nfs/dbraw/zinc/95/13/89/1193951389.db2.gz BLPQEOQOKCQRMW-ZDUSSCGKSA-N 0 3 381.506 0.159 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000513439837 1193951862 /nfs/dbraw/zinc/95/18/62/1193951862.db2.gz PEWLWFZLWAPTNE-JYJNAYRXSA-N 0 3 392.500 0.221 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000513443537 1193952576 /nfs/dbraw/zinc/95/25/76/1193952576.db2.gz IKDUNGSTSWCQDZ-IRXDYDNUSA-N 0 3 378.517 0.694 20 0 GCADHN O=C(NCCN1CCCOCC1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000458843116 1193960926 /nfs/dbraw/zinc/96/09/26/1193960926.db2.gz MMWCEEUTOZHMLB-RBUKOAKNSA-N 0 3 376.501 0.643 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCOc1cccc(C(N)=O)c1 ZINC000433957564 1193963370 /nfs/dbraw/zinc/96/33/70/1193963370.db2.gz JWYBXCYODLZJGI-QGZVFWFLSA-N 0 3 390.484 0.613 20 0 GCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000279978025 1193971824 /nfs/dbraw/zinc/97/18/24/1193971824.db2.gz HZOCUWVRPGPPPH-UIAACRFSSA-N 0 3 399.495 0.955 20 0 GCADHN CCNC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCCN(CC)CCO)c1 ZINC000280080306 1193975710 /nfs/dbraw/zinc/97/57/10/1193975710.db2.gz CJYVHNZPMUDHPB-UHFFFAOYSA-N 0 3 379.461 0.505 20 0 GCADHN C[C@H](CNC(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1)CN1CCN(C)CC1 ZINC000664221379 1193976808 /nfs/dbraw/zinc/97/68/08/1193976808.db2.gz PPJHBJWWDXUPKE-KZNAEPCWSA-N 0 3 382.549 0.879 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@](C)(O)CC1 ZINC000280178685 1193979423 /nfs/dbraw/zinc/97/94/23/1193979423.db2.gz SUGDGHBFQFZZOB-RDTXWAMCSA-N 0 3 383.514 0.618 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000280270408 1193982824 /nfs/dbraw/zinc/98/28/24/1193982824.db2.gz UWYZIWQUOGMOPG-FQEVSTJZSA-N 0 3 393.484 0.299 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cn(Cc3noc(C)n3)nn2)C[C@H]1N1CCCC1 ZINC000280274201 1193984709 /nfs/dbraw/zinc/98/47/09/1193984709.db2.gz OSYIPYSWSGXUQH-ZIAGYGMSSA-N 0 3 377.474 0.670 20 0 GCADHN CC(C)c1ncc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000280372724 1193989782 /nfs/dbraw/zinc/98/97/82/1193989782.db2.gz OTXHJZLPANSCTJ-HNNXBMFYSA-N 0 3 390.488 0.597 20 0 GCADHN COC[C@@H](CO)NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000280426580 1193994520 /nfs/dbraw/zinc/99/45/20/1193994520.db2.gz ZKQIALYWWPAJLB-LJQANCHMSA-N 0 3 378.517 0.891 20 0 GCADHN O=C(CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1)NCC(F)F ZINC000280509107 1194002549 /nfs/dbraw/zinc/00/25/49/1194002549.db2.gz NLAZTKYJFXBPAO-UHFFFAOYSA-N 0 3 397.470 0.875 20 0 GCADHN CO[C@]1(C)CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000280600083 1194008027 /nfs/dbraw/zinc/00/80/27/1194008027.db2.gz VBQHHUMJAPIPLS-GOSISDBHSA-N 0 3 383.514 0.884 20 0 GCADHN O=C(NCc1ccc(-n2cnc3ccccc32)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419397881 1194018762 /nfs/dbraw/zinc/01/87/62/1194018762.db2.gz WCZPGWQRSSTQOT-KRWDZBQOSA-N 0 3 393.447 0.746 20 0 GCADHN CCc1ccc(-c2noc([C@@H](C)NC(=O)C(=O)NC[C@H]3CNCCO3)n2)cc1 ZINC000419408786 1194021466 /nfs/dbraw/zinc/02/14/66/1194021466.db2.gz DCVBAVNYEDJBOK-IUODEOHRSA-N 0 3 387.440 0.581 20 0 GCADHN C[C@H](O)C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1ccccc1 ZINC000419407328 1194021819 /nfs/dbraw/zinc/02/18/19/1194021819.db2.gz YEQPXPSPPPKJMT-XOSAIJSUSA-N 0 3 377.485 0.887 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000419418784 1194022269 /nfs/dbraw/zinc/02/22/69/1194022269.db2.gz RADKYHCCJAGGRP-ARFHVFGLSA-N 0 3 376.457 0.075 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC000419418787 1194022471 /nfs/dbraw/zinc/02/24/71/1194022471.db2.gz RADKYHCCJAGGRP-XHSDSOJGSA-N 0 3 376.457 0.075 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1cccc(OCc2ccccn2)c1 ZINC000419422390 1194024316 /nfs/dbraw/zinc/02/43/16/1194024316.db2.gz HCWTWDASXKYLEH-BEFAXECRSA-N 0 3 398.463 0.942 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1cccc(OCc2ccccn2)c1 ZINC000419422391 1194024583 /nfs/dbraw/zinc/02/45/83/1194024583.db2.gz HCWTWDASXKYLEH-DNVCBOLYSA-N 0 3 398.463 0.942 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)N(C)c1ccccc1 ZINC000419411638 1194029662 /nfs/dbraw/zinc/02/96/62/1194029662.db2.gz QDTRBLAMPZLGJP-MAUKXSAKSA-N 0 3 399.499 0.541 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000419411965 1194030512 /nfs/dbraw/zinc/03/05/12/1194030512.db2.gz CKFARYBUIJTRRC-GXFFZTMASA-N 0 3 397.859 0.957 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)NCC(F)(F)CN)[C@H](c2ccccc2)C1 ZINC000419414907 1194031573 /nfs/dbraw/zinc/03/15/73/1194031573.db2.gz HJKLFJSBWHCQPC-INIZCTEOSA-N 0 3 397.470 0.192 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1cn(-c2ccccc2)nn1 ZINC000419417797 1194032391 /nfs/dbraw/zinc/03/23/91/1194032391.db2.gz QEGULFVHDAFSOI-GZBFAFLISA-N 0 3 386.456 0.674 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1cn(-c2ccccc2)nn1 ZINC000419417791 1194032730 /nfs/dbraw/zinc/03/27/30/1194032730.db2.gz QEGULFVHDAFSOI-GUTXKFCHSA-N 0 3 386.456 0.674 20 0 GCADHN COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)C2)c1 ZINC000419454192 1194032739 /nfs/dbraw/zinc/03/27/39/1194032739.db2.gz ZBHDFINPQABGJH-GRDNDAEWSA-N 0 3 390.484 0.619 20 0 GCADHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C(=O)N2CCCNCC2)C1 ZINC000419441894 1194035303 /nfs/dbraw/zinc/03/53/03/1194035303.db2.gz UXDCCUVJPGCQLY-AWEZNQCLSA-N 0 3 380.876 0.865 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)c(C(F)(F)F)c1 ZINC000419448729 1194036232 /nfs/dbraw/zinc/03/62/32/1194036232.db2.gz WUAWTITVWNRALU-LBPRGKRZSA-N 0 3 375.347 0.435 20 0 GCADHN O=C(NCc1cccc(NC(=O)c2ccccc2)c1)C(=O)NC[C@H]1CNCCO1 ZINC000419477259 1194039893 /nfs/dbraw/zinc/03/98/93/1194039893.db2.gz POGOQKKRIUCRRJ-GOSISDBHSA-N 0 3 396.447 0.660 20 0 GCADHN O=C(NCc1cccc(NC(=O)c2ccccc2)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419477261 1194039913 /nfs/dbraw/zinc/03/99/13/1194039913.db2.gz POGOQKKRIUCRRJ-SFHVURJKSA-N 0 3 396.447 0.660 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccccc2)C1=O ZINC000501048133 1194040653 /nfs/dbraw/zinc/04/06/53/1194040653.db2.gz VBBFCUGUGJFEGF-KRWDZBQOSA-N 0 3 390.484 0.924 20 0 GCADHN Cc1cccc(N2CCN(CCCNC(=O)C(=O)N3CCNC[C@H]3C)CC2)c1 ZINC000419499238 1194045978 /nfs/dbraw/zinc/04/59/78/1194045978.db2.gz BIMAGSLCKXABTR-GOSISDBHSA-N 0 3 387.528 0.444 20 0 GCADHN NC(=O)C1(NC(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000501082352 1194053651 /nfs/dbraw/zinc/05/36/51/1194053651.db2.gz ZYTHVCKGFHFUAJ-HNNXBMFYSA-N 0 3 396.451 0.403 20 0 GCADHN COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C2 ZINC000419538610 1194055511 /nfs/dbraw/zinc/05/55/11/1194055511.db2.gz AEEHAHHCQNPFDQ-LNSITVRQSA-N 0 3 377.441 0.344 20 0 GCADHN CN1C(=O)C[C@H](NC(=O)C(=O)N2CCCNCC2)[C@H]1c1ccc(Cl)cc1 ZINC000419555809 1194058587 /nfs/dbraw/zinc/05/85/87/1194058587.db2.gz BCPRCKFNQUARSC-GOEBONIOSA-N 0 3 378.860 0.550 20 0 GCADHN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(=O)N1CCCNCC1 ZINC000419566577 1194062491 /nfs/dbraw/zinc/06/24/91/1194062491.db2.gz PBYBQRPAEPCKBO-LLVKDONJSA-N 0 3 382.823 0.523 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000419588522 1194066177 /nfs/dbraw/zinc/06/61/77/1194066177.db2.gz GAAWNMUENSTIIC-AWEZNQCLSA-N 0 3 385.386 0.958 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000419592743 1194066789 /nfs/dbraw/zinc/06/67/89/1194066789.db2.gz XAOOVLSUYBRROT-XJKSGUPXSA-N 0 3 388.468 0.659 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C(=O)N1c1ccccc1 ZINC000419665404 1194078108 /nfs/dbraw/zinc/07/81/08/1194078108.db2.gz KQRRNOKXCVYGHW-BFJAYTPKSA-N 0 3 388.468 0.526 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000419658421 1194081840 /nfs/dbraw/zinc/08/18/40/1194081840.db2.gz XAHOCJDIZUXXGS-WMLDXEAASA-N 0 3 385.468 0.777 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCC3Cc4ccccc4C3)C2)nn1 ZINC000419702565 1194082423 /nfs/dbraw/zinc/08/24/23/1194082423.db2.gz VGQKOFQFVNQEIR-LJQANCHMSA-N 0 3 396.495 0.822 20 0 GCADHN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419688135 1194084727 /nfs/dbraw/zinc/08/47/27/1194084727.db2.gz ZPHXPEQILPDZAE-INIZCTEOSA-N 0 3 399.495 0.718 20 0 GCADHN CC(=O)Nc1cccc(OCCNC(=O)C(=O)NC[C@H](N)c2ccccc2)c1 ZINC000419691985 1194085988 /nfs/dbraw/zinc/08/59/88/1194085988.db2.gz XNXPTSAIDSGWES-SFHVURJKSA-N 0 3 384.436 0.956 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCOc3ccc(F)cc3)C2)nn1 ZINC000419696940 1194086838 /nfs/dbraw/zinc/08/68/38/1194086838.db2.gz VXWJLYUDXNIWKL-OAHLLOKOSA-N 0 3 390.419 0.235 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CCN1 ZINC000419725378 1194087997 /nfs/dbraw/zinc/08/79/97/1194087997.db2.gz RYEWTVMHSMXLIV-CYBMUJFWSA-N 0 3 380.439 0.866 20 0 GCADHN COC(=O)c1c2c(sc1NC(=O)C(=O)N1C[C@@H]3CCN(C)[C@@H]3C1)COCC2 ZINC000419733179 1194089843 /nfs/dbraw/zinc/08/98/43/1194089843.db2.gz PTBKCROOZDSSMB-CMPLNLGQSA-N 0 3 393.465 0.708 20 0 GCADHN CCOc1c(Cl)cc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000419723831 1194093465 /nfs/dbraw/zinc/09/34/65/1194093465.db2.gz OXPXEPFKMMWPNQ-LBPRGKRZSA-N 0 3 385.848 0.468 20 0 GCADHN CCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)cc1OCC ZINC000419739044 1194099584 /nfs/dbraw/zinc/09/95/84/1194099584.db2.gz JEZGLHFFCJOEPR-UKRRQHHQSA-N 0 3 379.457 0.766 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000419764209 1194101677 /nfs/dbraw/zinc/10/16/77/1194101677.db2.gz VURHRHAISDDDRJ-CZUORRHYSA-N 0 3 380.464 0.603 20 0 GCADHN CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NCC2(N(C)C)CC2)c1 ZINC000419796921 1194105188 /nfs/dbraw/zinc/10/51/88/1194105188.db2.gz QLNJAPMNUWJHLJ-UHFFFAOYSA-N 0 3 382.486 0.987 20 0 GCADHN C[C@@H]1CNCCN1C(=O)C(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000419812023 1194112445 /nfs/dbraw/zinc/11/24/45/1194112445.db2.gz HTYFIXYQLDANGR-IKGGRYGDSA-N 0 3 388.512 0.732 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000419812300 1194112573 /nfs/dbraw/zinc/11/25/73/1194112573.db2.gz ZIYPPYWWGMBCLP-LRDDRELGSA-N 0 3 388.468 0.424 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)N2CCNC[C@H]2C)C[C@@H](C)O1 ZINC000419812017 1194112611 /nfs/dbraw/zinc/11/26/11/1194112611.db2.gz HTYFIXYQLDANGR-BRWVUGGUSA-N 0 3 388.512 0.732 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)N2CCN[C@@H](C)C2)C[C@@H](C)O1 ZINC000419829263 1194115194 /nfs/dbraw/zinc/11/51/94/1194115194.db2.gz SRZXCPDWBFXDRN-GVDBMIGSSA-N 0 3 388.512 0.732 20 0 GCADHN C[NH2+]CCNC(=O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000419871609 1194127756 /nfs/dbraw/zinc/12/77/56/1194127756.db2.gz KOHZCPJWKLDKME-UHFFFAOYSA-N 0 3 382.848 0.558 20 0 GCADHN CCN(CC)C(=O)N1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419923297 1194139303 /nfs/dbraw/zinc/13/93/03/1194139303.db2.gz GKTRQIFTKUQHCK-MRXNPFEDSA-N 0 3 375.473 0.409 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419929323 1194140292 /nfs/dbraw/zinc/14/02/92/1194140292.db2.gz MGHHVHWWQWQFKB-OXQOHEQNSA-N 0 3 391.468 0.621 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000419930407 1194140382 /nfs/dbraw/zinc/14/03/82/1194140382.db2.gz OCVVJKOMQQWEBB-GOSISDBHSA-N 0 3 380.448 0.787 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419929322 1194140636 /nfs/dbraw/zinc/14/06/36/1194140636.db2.gz MGHHVHWWQWQFKB-OXJNMPFZSA-N 0 3 391.468 0.621 20 0 GCADHN CCOC(=O)c1nc(C2CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC2)n[n-]1 ZINC000419957658 1194143788 /nfs/dbraw/zinc/14/37/88/1194143788.db2.gz PACPAJKHYLBOSQ-ZDUSSCGKSA-N 0 3 394.476 0.177 20 0 GCADHN CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC2)[n-]1 ZINC000419957658 1194143793 /nfs/dbraw/zinc/14/37/93/1194143793.db2.gz PACPAJKHYLBOSQ-ZDUSSCGKSA-N 0 3 394.476 0.177 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)cs1 ZINC000419940679 1194145721 /nfs/dbraw/zinc/14/57/21/1194145721.db2.gz ZYGFWGQSYFOYNU-KRWDZBQOSA-N 0 3 387.509 0.912 20 0 GCADHN Cn1cc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(=O)[nH]c1=O ZINC000501440100 1194153976 /nfs/dbraw/zinc/15/39/76/1194153976.db2.gz BXODLXJHCUFHKG-UHFFFAOYSA-N 0 3 385.424 0.436 20 0 GCADHN Cc1cccc(CN2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)c1 ZINC000420023997 1194159141 /nfs/dbraw/zinc/15/91/41/1194159141.db2.gz BARYMVNMNZLXJT-AEFFLSMTSA-N 0 3 388.512 0.868 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000420028298 1194159433 /nfs/dbraw/zinc/15/94/33/1194159433.db2.gz DDMCISIDDVFHAZ-SOLBZPMBSA-N 0 3 388.512 0.949 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000420029536 1194160300 /nfs/dbraw/zinc/16/03/00/1194160300.db2.gz FLNKQINJVWRLTG-CZUORRHYSA-N 0 3 376.457 0.270 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000420030329 1194160392 /nfs/dbraw/zinc/16/03/92/1194160392.db2.gz GIJRGUUQZVHCHU-XIRDDKMYSA-N 0 3 375.469 0.686 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000420032406 1194160949 /nfs/dbraw/zinc/16/09/49/1194160949.db2.gz HYIRBRRKGFINLP-MAZHCROVSA-N 0 3 380.464 0.774 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000420056091 1194163080 /nfs/dbraw/zinc/16/30/80/1194163080.db2.gz IGFJOHSKMMOYAI-NUEKZKHPSA-N 0 3 388.468 0.305 20 0 GCADHN COc1ccc(OCCN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000420057144 1194163685 /nfs/dbraw/zinc/16/36/85/1194163685.db2.gz JASWVLLCXAHNPD-BBRMVZONSA-N 0 3 379.457 0.762 20 0 GCADHN CCCn1ccnc1CCCN(C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420056682 1194163927 /nfs/dbraw/zinc/16/39/27/1194163927.db2.gz IUEOOQTUVABUKT-GJZGRUSLSA-N 0 3 379.505 0.913 20 0 GCADHN CCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420057848 1194163972 /nfs/dbraw/zinc/16/39/72/1194163972.db2.gz JMQWELXRBNVGGV-OCCSQVGLSA-N 0 3 377.441 0.993 20 0 GCADHN CC(C)(O)CN1CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420062911 1194165051 /nfs/dbraw/zinc/16/50/51/1194165051.db2.gz SCBGMBDCWROQSH-LJQANCHMSA-N 0 3 398.507 0.871 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCS(=O)(=O)c2ccccc2C1)C1CCCC1 ZINC000420062865 1194165124 /nfs/dbraw/zinc/16/51/24/1194165124.db2.gz SAYOKJWIZQUTBV-HNNXBMFYSA-N 0 3 379.482 0.436 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000420039518 1194165516 /nfs/dbraw/zinc/16/55/16/1194165516.db2.gz ODNRJJAZVZBVCF-SOUVJXGZSA-N 0 3 380.489 0.077 20 0 GCADHN CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420039388 1194165651 /nfs/dbraw/zinc/16/56/51/1194165651.db2.gz NWKRVGCSQCNNSF-ZNMIVQPWSA-N 0 3 382.505 0.371 20 0 GCADHN CCOc1ccc(NC(=O)CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000420043286 1194167608 /nfs/dbraw/zinc/16/76/08/1194167608.db2.gz RQLVDTFJKNKVMH-WFASDCNBSA-N 0 3 392.456 0.369 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000420045499 1194168288 /nfs/dbraw/zinc/16/82/88/1194168288.db2.gz USIPETOMPBKHAK-YDHLFZDLSA-N 0 3 394.447 0.820 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000420047611 1194168760 /nfs/dbraw/zinc/16/87/60/1194168760.db2.gz WMSNWVOHRWVSQF-SOUVJXGZSA-N 0 3 396.532 0.617 20 0 GCADHN CCC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1nnc2ccccn21 ZINC000420047946 1194168875 /nfs/dbraw/zinc/16/88/75/1194168875.db2.gz WPWDFGYJSXDQKT-RDBSUJKOSA-N 0 3 388.472 0.916 20 0 GCADHN CCC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1nnc2ccccn21 ZINC000420047944 1194168947 /nfs/dbraw/zinc/16/89/47/1194168947.db2.gz WPWDFGYJSXDQKT-IHRRRGAJSA-N 0 3 388.472 0.916 20 0 GCADHN CCC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1nnc2ccccn21 ZINC000420047943 1194169007 /nfs/dbraw/zinc/16/90/07/1194169007.db2.gz WPWDFGYJSXDQKT-HZSPNIEDSA-N 0 3 388.472 0.916 20 0 GCADHN COc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)c1 ZINC000420050993 1194169607 /nfs/dbraw/zinc/16/96/07/1194169607.db2.gz ZPPUHRFESVNJSY-YOEHRIQHSA-N 0 3 390.484 0.573 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000420050757 1194170160 /nfs/dbraw/zinc/17/01/60/1194170160.db2.gz ZOVJQHWSUHMSOK-RCBQFDQVSA-N 0 3 379.432 0.955 20 0 GCADHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420067980 1194171408 /nfs/dbraw/zinc/17/14/08/1194171408.db2.gz SMYOSXYQMQAPFM-IQUTYRLHSA-N 0 3 383.489 0.653 20 0 GCADHN CNC(=O)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000420073750 1194172464 /nfs/dbraw/zinc/17/24/64/1194172464.db2.gz YOHVPFVUYLSJQN-WFASDCNBSA-N 0 3 376.457 0.234 20 0 GCADHN CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420072564 1194172781 /nfs/dbraw/zinc/17/27/81/1194172781.db2.gz XMNLUXHXZAMSIC-KKUMJFAQSA-N 0 3 382.505 0.371 20 0 GCADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000420082649 1194174396 /nfs/dbraw/zinc/17/43/96/1194174396.db2.gz VFHUNGNMLMGPNW-SJORKVTESA-N 0 3 383.452 0.486 20 0 GCADHN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000420066254 1194175958 /nfs/dbraw/zinc/17/59/58/1194175958.db2.gz WILGEAQNENTATR-JVPBZIDWSA-N 0 3 385.464 0.954 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000420185914 1194196083 /nfs/dbraw/zinc/19/60/83/1194196083.db2.gz AJLMBQJDHLGCSN-MRXNPFEDSA-N 0 3 387.436 0.178 20 0 GCADHN CN(CCOc1ccccc1C(C)(C)C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420198365 1194202276 /nfs/dbraw/zinc/20/22/76/1194202276.db2.gz MPYWGPGKFXSEPR-HNNXBMFYSA-N 0 3 377.485 0.926 20 0 GCADHN COc1cccc([C@@H](C)N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000420202076 1194203409 /nfs/dbraw/zinc/20/34/09/1194203409.db2.gz PBQSWEYZTOMDGS-QAPCUYQASA-N 0 3 390.484 0.005 20 0 GCADHN COc1cccc([C@H](C)N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000420202078 1194203651 /nfs/dbraw/zinc/20/36/51/1194203651.db2.gz PBQSWEYZTOMDGS-YJBOKZPZSA-N 0 3 390.484 0.005 20 0 GCADHN COc1cccc(CN(C[C@H]2CCCO2)C(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000420206605 1194204614 /nfs/dbraw/zinc/20/46/14/1194204614.db2.gz SQGASVHHTUKWGT-MSOLQXFVSA-N 0 3 391.468 0.307 20 0 GCADHN CCCN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000420190004 1194207165 /nfs/dbraw/zinc/20/71/65/1194207165.db2.gz FKLMPNKYHIIQKK-NVXWUHKLSA-N 0 3 390.484 0.747 20 0 GCADHN COc1ccc(CN(CC2CC2)C(=O)C(=O)NC[C@H]2CNCCO2)c(OC)c1 ZINC000420190561 1194207369 /nfs/dbraw/zinc/20/73/69/1194207369.db2.gz GARNDOVCEWRWAN-QGZVFWFLSA-N 0 3 391.468 0.547 20 0 GCADHN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000420193076 1194208344 /nfs/dbraw/zinc/20/83/44/1194208344.db2.gz CKGXPVLQYITLFR-OALUTQOASA-N 0 3 389.496 0.650 20 0 GCADHN COc1ccccc1C1(F)CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420192807 1194208357 /nfs/dbraw/zinc/20/83/57/1194208357.db2.gz IFNCPGZZOXWDAE-AWEZNQCLSA-N 0 3 379.432 0.587 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000420195698 1194208791 /nfs/dbraw/zinc/20/87/91/1194208791.db2.gz KUYODFUIRSARQQ-UONOGXRCSA-N 0 3 381.860 0.814 20 0 GCADHN O=C(NCc1ccc([O-])c(F)c1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224207 1194210548 /nfs/dbraw/zinc/21/05/48/1194210548.db2.gz WQTZSOAHJXQACB-CYBMUJFWSA-N 0 3 392.353 0.100 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000420209253 1194212029 /nfs/dbraw/zinc/21/20/29/1194212029.db2.gz VNDMEJGEZVLQJW-ZDUSSCGKSA-N 0 3 384.839 0.232 20 0 GCADHN CN(Cc1ccccc1OC(F)(F)F)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420212507 1194212779 /nfs/dbraw/zinc/21/27/79/1194212779.db2.gz XZXGAIPAQVWAIW-GFCCVEGCSA-N 0 3 375.347 0.648 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000420211436 1194212892 /nfs/dbraw/zinc/21/28/92/1194212892.db2.gz XCZYWRXIONAKBM-CYBMUJFWSA-N 0 3 398.866 0.228 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000420210980 1194213023 /nfs/dbraw/zinc/21/30/23/1194213023.db2.gz WRPORNVUOKNUGF-ZFWWWQNUSA-N 0 3 375.425 0.226 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000420214574 1194213365 /nfs/dbraw/zinc/21/33/65/1194213365.db2.gz ZLZCHZJNYNNHBX-DLBZAZTESA-N 0 3 379.432 0.438 20 0 GCADHN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420213145 1194213527 /nfs/dbraw/zinc/21/35/27/1194213527.db2.gz YLXHKBRFDQIZNZ-DZGCQCFKSA-N 0 3 396.438 0.275 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000420214635 1194213803 /nfs/dbraw/zinc/21/38/03/1194213803.db2.gz ZPZVINPCGUPGSY-CYBMUJFWSA-N 0 3 376.844 0.742 20 0 GCADHN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420369080 1194224563 /nfs/dbraw/zinc/22/45/63/1194224563.db2.gz BJQRWDDBCGBWEQ-JKSUJKDBSA-N 0 3 378.477 0.318 20 0 GCADHN NCc1cn([C@H]2CCCN(CC(=O)NCCOc3ccc(F)cc3)C2)nn1 ZINC000420380833 1194225229 /nfs/dbraw/zinc/22/52/29/1194225229.db2.gz OKCNKJBRRYGMIM-INIZCTEOSA-N 0 3 376.436 0.708 20 0 GCADHN NCc1cn([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)C2)nn1 ZINC000420478840 1194233107 /nfs/dbraw/zinc/23/31/07/1194233107.db2.gz LWTRIJDOIDZLAD-AWEZNQCLSA-N 0 3 393.469 0.924 20 0 GCADHN COCCN1CCC(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000502054641 1194261454 /nfs/dbraw/zinc/26/14/54/1194261454.db2.gz AXKUXCHVKMGJAV-UHFFFAOYSA-N 0 3 381.498 0.968 20 0 GCADHN COC[C@@]1(CO)CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000420845124 1194268255 /nfs/dbraw/zinc/26/82/55/1194268255.db2.gz BAUXOCOAVCDJLO-PXNSSMCTSA-N 0 3 377.485 0.133 20 0 GCADHN CCCN1C[C@@H](CNC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1=O ZINC000420849170 1194268363 /nfs/dbraw/zinc/26/83/63/1194268363.db2.gz YJYRTBXOHVTQJG-MSOLQXFVSA-N 0 3 388.512 0.650 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)Cc1ccccc1 ZINC000420849100 1194268371 /nfs/dbraw/zinc/26/83/71/1194268371.db2.gz YHTMBCOILQVCRU-CVEARBPZSA-N 0 3 382.455 0.731 20 0 GCADHN COC[C@]1(CO)CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000420845126 1194268554 /nfs/dbraw/zinc/26/85/54/1194268554.db2.gz BAUXOCOAVCDJLO-YLJYHZDGSA-N 0 3 377.485 0.133 20 0 GCADHN COc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)N(C)C)c1 ZINC000420849913 1194268986 /nfs/dbraw/zinc/26/89/86/1194268986.db2.gz UWJURLZLLMMMIL-SJLPKXTDSA-N 0 3 376.501 0.967 20 0 GCADHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000502131239 1194271082 /nfs/dbraw/zinc/27/10/82/1194271082.db2.gz ZZXNKDHPQOFWJI-OFQRWUPVSA-N 0 3 385.472 0.684 20 0 GCADHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000502141947 1194272529 /nfs/dbraw/zinc/27/25/29/1194272529.db2.gz QYDMENSCTPVDRJ-HOCLYGCPSA-N 0 3 385.472 0.782 20 0 GCADHN O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000502247138 1194284705 /nfs/dbraw/zinc/28/47/05/1194284705.db2.gz XHABXXUJSXDEBG-ZACQAIPSSA-N 0 3 376.501 0.733 20 0 GCADHN CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000502266623 1194287307 /nfs/dbraw/zinc/28/73/07/1194287307.db2.gz BUPBIJRTNPUMIL-CVEARBPZSA-N 0 3 383.514 0.949 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)Cc2ccccc2C1 ZINC000502273098 1194289961 /nfs/dbraw/zinc/28/99/61/1194289961.db2.gz 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ZINC000272627299 1194479901 /nfs/dbraw/zinc/47/99/01/1194479901.db2.gz AEHBHJCKLGPHHD-UHFFFAOYSA-N 0 3 376.457 0.556 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000272642070 1194481716 /nfs/dbraw/zinc/48/17/16/1194481716.db2.gz OLXFPMITRUYTEO-WMLDXEAASA-N 0 3 381.498 0.778 20 0 GCADHN COc1ccc([C@H](CN2CCCC2)NC(=O)CN2CCCS2(=O)=O)cc1 ZINC000272654598 1194483930 /nfs/dbraw/zinc/48/39/30/1194483930.db2.gz NNCVILDPHYRPHG-KRWDZBQOSA-N 0 3 381.498 0.984 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000272661901 1194484300 /nfs/dbraw/zinc/48/43/00/1194484300.db2.gz ROAFDAZGVCTPET-SJORKVTESA-N 0 3 386.500 0.458 20 0 GCADHN CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000272660366 1194484425 /nfs/dbraw/zinc/48/44/25/1194484425.db2.gz BSLKIVCGSXACHF-CQSZACIVSA-N 0 3 380.489 0.738 20 0 GCADHN OCCN(Cc1cccnc1)CC1(CN(CCO)Cc2cccnc2)COC1 ZINC000272799881 1194502938 /nfs/dbraw/zinc/50/29/38/1194502938.db2.gz KZQBFQGAANUNEP-UHFFFAOYSA-N 0 3 386.496 0.782 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1-n1cnnn1 ZINC000272812247 1194504295 /nfs/dbraw/zinc/50/42/95/1194504295.db2.gz MDTABVYFJUWSMB-OAHLLOKOSA-N 0 3 399.455 0.050 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC(CCCO)CC1 ZINC000272824320 1194506237 /nfs/dbraw/zinc/50/62/37/1194506237.db2.gz LPRBMFYPXRROIL-OAHLLOKOSA-N 0 3 397.541 0.866 20 0 GCADHN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NC[C@@H]2CCCN2C)cc1C ZINC000273016441 1194531190 /nfs/dbraw/zinc/53/11/90/1194531190.db2.gz SFYFLTZKTRBEGM-BQFCYCMXSA-N 0 3 395.525 0.638 20 0 GCADHN C[C@H](CN1CCOCC1)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000273042083 1194533038 /nfs/dbraw/zinc/53/30/38/1194533038.db2.gz GIOGTPNMJZHLNB-HOJAQTOUSA-N 0 3 375.513 0.954 20 0 GCADHN CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000273247381 1194549060 /nfs/dbraw/zinc/54/90/60/1194549060.db2.gz VPGYNQCHYUIKFT-SNVBAGLBSA-N 0 3 375.429 0.438 20 0 GCADHN CN1CCN(CCCNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 ZINC000273473383 1194565554 /nfs/dbraw/zinc/56/55/54/1194565554.db2.gz QTSAYGVKYHFJAM-OAQYLSRUSA-N 0 3 399.495 0.134 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNC(C)(C)CC(N)=O)c1 ZINC000273538445 1194570021 /nfs/dbraw/zinc/57/00/21/1194570021.db2.gz SNFKYFSCAKSTAS-UHFFFAOYSA-N 0 3 384.502 0.899 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000273543850 1194570815 /nfs/dbraw/zinc/57/08/15/1194570815.db2.gz UIZILBAUOZANLH-GDBMZVCRSA-N 0 3 399.538 0.994 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000273630901 1194579205 /nfs/dbraw/zinc/57/92/05/1194579205.db2.gz FYJSUJFJNCHGQO-INIZCTEOSA-N 0 3 393.511 0.721 20 0 GCADHN COC(=O)[C@]1(C)CN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H]1C ZINC000503212934 1194591316 /nfs/dbraw/zinc/59/13/16/1194591316.db2.gz WUVXPNUFQRUIDM-FOIQADDNSA-N 0 3 396.532 0.176 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC000422236512 1194595466 /nfs/dbraw/zinc/59/54/66/1194595466.db2.gz WRGOBLSQDJYJTD-WKILWMFISA-N 0 3 381.521 0.474 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000422267246 1194595837 /nfs/dbraw/zinc/59/58/37/1194595837.db2.gz IFFWVNUFMWQBTD-QGZVFWFLSA-N 0 3 388.516 0.002 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1ccccc1S(C)(=O)=O)N1CCC(C)CC1 ZINC000422282368 1194600524 /nfs/dbraw/zinc/60/05/24/1194600524.db2.gz ZFFMISATUWTYCM-HNNXBMFYSA-N 0 3 395.525 0.943 20 0 GCADHN COCC(COC)N1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000422282581 1194600657 /nfs/dbraw/zinc/60/06/57/1194600657.db2.gz ZHKJJNKKVNAVKZ-QGZVFWFLSA-N 0 3 398.548 0.029 20 0 GCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000422261808 1194601746 /nfs/dbraw/zinc/60/17/46/1194601746.db2.gz PSUXHLBJXZOHAQ-JKSUJKDBSA-N 0 3 383.533 0.907 20 0 GCADHN COCC1CCC(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000422293187 1194605694 /nfs/dbraw/zinc/60/56/94/1194605694.db2.gz KNLXRMKXAXNXLV-JCYILVPMSA-N 0 3 396.532 0.367 20 0 GCADHN COC1([C@@H](C)NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCC1 ZINC000422293244 1194605882 /nfs/dbraw/zinc/60/58/82/1194605882.db2.gz KVPQHIJJEBYZNJ-CABCVRRESA-N 0 3 382.505 0.119 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H](CC)O1 ZINC000422294361 1194606393 /nfs/dbraw/zinc/60/63/93/1194606393.db2.gz MKPXVXGIONBBCP-BRWVUGGUSA-N 0 3 396.532 0.461 20 0 GCADHN CC[C@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CC1(C)C ZINC000422299324 1194608822 /nfs/dbraw/zinc/60/88/22/1194608822.db2.gz SFYWZHGLNLQGQH-PMPSAXMXSA-N 0 3 380.533 0.986 20 0 GCADHN C[C@H]([C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)N1CCOCC1 ZINC000422303142 1194610057 /nfs/dbraw/zinc/61/00/57/1194610057.db2.gz ZDFAIWAPRIKPDW-JKSUJKDBSA-N 0 3 396.557 0.864 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)[C@H](C)N1CCOCC1 ZINC000422303139 1194610288 /nfs/dbraw/zinc/61/02/88/1194610288.db2.gz ZDFAIWAPRIKPDW-CVEARBPZSA-N 0 3 396.557 0.864 20 0 GCADHN COC[C@@]1(CO)CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000422320631 1194613041 /nfs/dbraw/zinc/61/30/41/1194613041.db2.gz VWTKUMOFAUWZDO-UZLBHIALSA-N 0 3 377.485 0.481 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000503275954 1194613286 /nfs/dbraw/zinc/61/32/86/1194613286.db2.gz OWDCBQAANLGIQX-HNNXBMFYSA-N 0 3 396.513 0.914 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000422324432 1194614315 /nfs/dbraw/zinc/61/43/15/1194614315.db2.gz ICSMZKSKAINKJQ-CABCVRRESA-N 0 3 385.530 0.732 20 0 GCADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000422343383 1194620886 /nfs/dbraw/zinc/62/08/86/1194620886.db2.gz SPIBNFUZCODCQX-JKSUJKDBSA-N 0 3 383.514 0.949 20 0 GCADHN COc1cccnc1CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000422349371 1194621809 /nfs/dbraw/zinc/62/18/09/1194621809.db2.gz HHCJLJVQWQGXAG-UHFFFAOYSA-N 0 3 382.464 0.922 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000422346980 1194621847 /nfs/dbraw/zinc/62/18/47/1194621847.db2.gz CMWGWTFZZLBDKZ-GOSISDBHSA-N 0 3 390.528 0.804 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000422346981 1194622048 /nfs/dbraw/zinc/62/20/48/1194622048.db2.gz CMWGWTFZZLBDKZ-SFHVURJKSA-N 0 3 390.528 0.804 20 0 GCADHN CON1CCC(N(C)C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000422351589 1194622447 /nfs/dbraw/zinc/62/24/47/1194622447.db2.gz LRHASLRSPCYSOU-UHFFFAOYSA-N 0 3 388.512 0.686 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000422403415 1194628738 /nfs/dbraw/zinc/62/87/38/1194628738.db2.gz VKUYMSRPIMKZRU-YTQUADARSA-N 0 3 391.512 0.867 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000422385238 1194631258 /nfs/dbraw/zinc/63/12/58/1194631258.db2.gz HCNMROFOXRKJQQ-VXGBXAGGSA-N 0 3 378.395 0.209 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000422385236 1194631266 /nfs/dbraw/zinc/63/12/66/1194631266.db2.gz HCNMROFOXRKJQQ-NWDGAFQWSA-N 0 3 378.395 0.209 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000422388728 1194632310 /nfs/dbraw/zinc/63/23/10/1194632310.db2.gz MOBWYIRLYUEFHS-CHWSQXEVSA-N 0 3 392.422 0.597 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000422391578 1194633522 /nfs/dbraw/zinc/63/35/22/1194633522.db2.gz VWNNYUXJAUREOT-SJORKVTESA-N 0 3 378.517 0.979 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N(C)C[C@@H]1CCCN1C)CCC2 ZINC000422425123 1194638015 /nfs/dbraw/zinc/63/80/15/1194638015.db2.gz LPVRHPIJOUMDFG-JKSUJKDBSA-N 0 3 377.489 0.576 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1ccnc2ccnn21 ZINC000422433172 1194644484 /nfs/dbraw/zinc/64/44/84/1194644484.db2.gz XTJVVQPVDAIGKG-UHFFFAOYSA-N 0 3 386.481 0.997 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000422434737 1194644535 /nfs/dbraw/zinc/64/45/35/1194644535.db2.gz AGJYIZRLDWVGPJ-IXDOHACOSA-N 0 3 378.517 0.835 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000422436561 1194644777 /nfs/dbraw/zinc/64/47/77/1194644777.db2.gz WFAZPKWPWGEWQY-INIZCTEOSA-N 0 3 395.525 0.943 20 0 GCADHN CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000422440385 1194645714 /nfs/dbraw/zinc/64/57/14/1194645714.db2.gz GDLLEHOOMKNRRO-HZPDHXFCSA-N 0 3 382.505 0.073 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C2CC2)C2CCC2)CC1 ZINC000422466092 1194645814 /nfs/dbraw/zinc/64/58/14/1194645814.db2.gz OASZZSSAPUEARQ-IRXDYDNUSA-N 0 3 376.501 0.446 20 0 GCADHN COCC1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCCC1 ZINC000422458940 1194649711 /nfs/dbraw/zinc/64/97/11/1194649711.db2.gz ZMPFAPYOJVFPRK-MRXNPFEDSA-N 0 3 394.516 0.074 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccn(C)n1 ZINC000422491101 1194651375 /nfs/dbraw/zinc/65/13/75/1194651375.db2.gz NMDHOFIDYMHFHU-OWCLPIDISA-N 0 3 391.516 0.945 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccn(C)n1 ZINC000422491102 1194651460 /nfs/dbraw/zinc/65/14/60/1194651460.db2.gz NMDHOFIDYMHFHU-XHSDSOJGSA-N 0 3 391.516 0.945 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422517069 1194659324 /nfs/dbraw/zinc/65/93/24/1194659324.db2.gz JACMFXBIVRLTEZ-MRXNPFEDSA-N 0 3 394.447 0.132 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCC(COC)CC2)CC1 ZINC000422522828 1194660317 /nfs/dbraw/zinc/66/03/17/1194660317.db2.gz XPOCFFDFPDCEHL-UHFFFAOYSA-N 0 3 396.532 0.320 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000422521229 1194660496 /nfs/dbraw/zinc/66/04/96/1194660496.db2.gz SMUQWQXFHGLPOK-KRWDZBQOSA-N 0 3 390.459 0.895 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000422521230 1194660537 /nfs/dbraw/zinc/66/05/37/1194660537.db2.gz SMUQWQXFHGLPOK-QGZVFWFLSA-N 0 3 390.459 0.895 20 0 GCADHN CO[C@@](C)([C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC1 ZINC000422528851 1194662356 /nfs/dbraw/zinc/66/23/56/1194662356.db2.gz KLZQLJRKSGLZRL-KKVAFCGZSA-N 0 3 394.516 0.071 20 0 GCADHN CO[C@@](C)([C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC1 ZINC000422528853 1194662373 /nfs/dbraw/zinc/66/23/73/1194662373.db2.gz KLZQLJRKSGLZRL-UVFQYZLESA-N 0 3 394.516 0.071 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)N(CCN(C)C)C(C)C)cn1 ZINC000422527373 1194662457 /nfs/dbraw/zinc/66/24/57/1194662457.db2.gz IICAYPFDQJXHJE-DOTOQJQBSA-N 0 3 379.505 0.895 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1ccccc1S(C)(=O)=O)N1CCC[C@H](C)C1 ZINC000422529493 1194662810 /nfs/dbraw/zinc/66/28/10/1194662810.db2.gz LLJMUHIHROEFBM-LSDHHAIUSA-N 0 3 395.525 0.943 20 0 GCADHN CCOC[C@H](NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000503440301 1194667834 /nfs/dbraw/zinc/66/78/34/1194667834.db2.gz DNWZJTADMQOUQX-ZACQAIPSSA-N 0 3 390.546 0.832 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000422589536 1194669643 /nfs/dbraw/zinc/66/96/43/1194669643.db2.gz MLIBNXCCBYFPOE-KGLIPLIRSA-N 0 3 376.448 0.011 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1)N1CCC[C@@H](C)C1 ZINC000422577021 1194671311 /nfs/dbraw/zinc/67/13/11/1194671311.db2.gz AKFWWMGGJJOTEF-HZPDHXFCSA-N 0 3 383.533 0.907 20 0 GCADHN C[C@H]1CN(CCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H](C)O1 ZINC000503468015 1194674628 /nfs/dbraw/zinc/67/46/28/1194674628.db2.gz HLHSQDPJHJSXRE-ROUUACIJSA-N 0 3 395.548 0.435 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000422619251 1194677417 /nfs/dbraw/zinc/67/74/17/1194677417.db2.gz PVMRNIQUKMVVEQ-GUDVDZBRSA-N 0 3 389.496 0.813 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503479671 1194678000 /nfs/dbraw/zinc/67/80/00/1194678000.db2.gz OQCZFFTUZDGROW-PMPSAXMXSA-N 0 3 382.486 0.777 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC2CCN(OC)CC2)c1 ZINC000422628904 1194678015 /nfs/dbraw/zinc/67/80/15/1194678015.db2.gz CJYBSPKSTFIVOV-UHFFFAOYSA-N 0 3 392.500 0.727 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422627921 1194678346 /nfs/dbraw/zinc/67/83/46/1194678346.db2.gz RBTWOONZJQDYIJ-SMDDNHRTSA-N 0 3 378.454 0.875 20 0 GCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000422708657 1194691138 /nfs/dbraw/zinc/69/11/38/1194691138.db2.gz CEFSQPUYZIUNEE-ZWKOTPCHSA-N 0 3 380.533 0.594 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000503628915 1194701652 /nfs/dbraw/zinc/70/16/52/1194701652.db2.gz RDRIVMIXSLQZEZ-UHFFFAOYSA-N 0 3 380.395 0.670 20 0 GCADHN CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000503630637 1194702338 /nfs/dbraw/zinc/70/23/38/1194702338.db2.gz SPSFSPVJJMUQAE-UHFFFAOYSA-N 0 3 388.468 0.790 20 0 GCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422844385 1194704108 /nfs/dbraw/zinc/70/41/08/1194704108.db2.gz LPKAFRJODIFSSS-CRAIPNDOSA-N 0 3 375.473 0.004 20 0 GCADHN CCOC(=O)[C@H]1NCC[C@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422844387 1194704498 /nfs/dbraw/zinc/70/44/98/1194704498.db2.gz LPKAFRJODIFSSS-QAPCUYQASA-N 0 3 375.473 0.004 20 0 GCADHN N[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)C1CCC1 ZINC000422949049 1194712047 /nfs/dbraw/zinc/71/20/47/1194712047.db2.gz UEQMKOGCMOUYFP-HNNXBMFYSA-N 0 3 393.469 0.229 20 0 GCADHN [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000423132216 1194729782 /nfs/dbraw/zinc/72/97/82/1194729782.db2.gz OWMNXGSPESPMQF-OAHLLOKOSA-N 0 3 388.468 0.264 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](Cc4ccccc4)C3)C2)nn1 ZINC000423105892 1194730419 /nfs/dbraw/zinc/73/04/19/1194730419.db2.gz CPNYNLHWGLPTDG-IEBWSBKVSA-N 0 3 396.495 0.992 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000414722093 1194739518 /nfs/dbraw/zinc/73/95/18/1194739518.db2.gz KFUAGPWKZKBDEK-CQSZACIVSA-N 0 3 387.484 0.287 20 0 GCADHN N[C@H](CC1CCCCC1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000423233316 1194742341 /nfs/dbraw/zinc/74/23/41/1194742341.db2.gz DLYDLGOVDWNMIN-MRXNPFEDSA-N 0 3 384.502 0.946 20 0 GCADHN NCC(=O)N1CCC[C@H](CN2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000414727756 1194743645 /nfs/dbraw/zinc/74/36/45/1194743645.db2.gz BNYPBLLZYPMESR-MRXNPFEDSA-N 0 3 380.514 0.190 20 0 GCADHN CN1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)Cc2ccccc21 ZINC000423255421 1194744108 /nfs/dbraw/zinc/74/41/08/1194744108.db2.gz CATKNMKKXITXGG-QGZVFWFLSA-N 0 3 397.483 0.379 20 0 GCADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423322112 1194746870 /nfs/dbraw/zinc/74/68/70/1194746870.db2.gz NORBETBMYWOJKW-LUYZLQTOSA-N 0 3 381.498 0.220 20 0 GCADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000423320628 1194747115 /nfs/dbraw/zinc/74/71/15/1194747115.db2.gz MIOYABLQRLMAJM-GUYJKWIASA-N 0 3 399.488 0.359 20 0 GCADHN CCN(C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)[C@@H](C)CS(C)(=O)=O ZINC000423300762 1194747883 /nfs/dbraw/zinc/74/78/83/1194747883.db2.gz FLRQMKCXLTXYOZ-CWRNSKLLSA-N 0 3 381.498 0.221 20 0 GCADHN CC(C)C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423302993 1194748352 /nfs/dbraw/zinc/74/83/52/1194748352.db2.gz IHYMVJNUTNIAIN-HZPDHXFCSA-N 0 3 378.477 0.174 20 0 GCADHN CNC(=O)CCCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504095686 1194752729 /nfs/dbraw/zinc/75/27/29/1194752729.db2.gz HFUJFRNNJNRFIY-UHFFFAOYSA-N 0 3 389.500 0.798 20 0 GCADHN CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)C1 ZINC000423421117 1194753983 /nfs/dbraw/zinc/75/39/83/1194753983.db2.gz JUCKRUJWKIMOLE-DUVNUKRYSA-N 0 3 397.472 0.114 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(CCCN3CCOCC3)CC2)C[C@@H](C)N1 ZINC000423452014 1194756534 /nfs/dbraw/zinc/75/65/34/1194756534.db2.gz VRKZRLXCAIRJTP-IAGOWNOFSA-N 0 3 380.533 0.546 20 0 GCADHN CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423571534 1194768426 /nfs/dbraw/zinc/76/84/26/1194768426.db2.gz OUQJTAHERGZVKY-APWZRJJASA-N 0 3 392.504 0.300 20 0 GCADHN CS[C@@H]1CCCCN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000423573819 1194768927 /nfs/dbraw/zinc/76/89/27/1194768927.db2.gz WJUQOQQOYKVCSK-HUUCEWRRSA-N 0 3 380.518 0.644 20 0 GCADHN CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423578104 1194769847 /nfs/dbraw/zinc/76/98/47/1194769847.db2.gz KEKAABPVROUKHV-IXDOHACOSA-N 0 3 393.509 0.365 20 0 GCADHN COc1cc(N[C@@H]2CCCN(C(=O)C(=O)N3CCCNCC3)C2)cc(OC)c1 ZINC000423602400 1194771982 /nfs/dbraw/zinc/77/19/82/1194771982.db2.gz DAOAKSBPNVHZHI-OAHLLOKOSA-N 0 3 390.484 0.929 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000423605175 1194772509 /nfs/dbraw/zinc/77/25/09/1194772509.db2.gz GUUJCDZUHPABAY-ZDUSSCGKSA-N 0 3 386.374 0.902 20 0 GCADHN COc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)ccc1C ZINC000423609380 1194773290 /nfs/dbraw/zinc/77/32/90/1194773290.db2.gz LLIJDUHVQQVHNX-UHFFFAOYSA-N 0 3 388.468 0.110 20 0 GCADHN COc1ccc(F)cc1CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423611829 1194773659 /nfs/dbraw/zinc/77/36/59/1194773659.db2.gz OPGXPODOEBXPSC-UHFFFAOYSA-N 0 3 378.448 0.300 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000414756522 1194784768 /nfs/dbraw/zinc/78/47/68/1194784768.db2.gz JXKNQCIXAPOCQS-SMDDNHRTSA-N 0 3 378.429 0.824 20 0 GCADHN C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000423678917 1194784843 /nfs/dbraw/zinc/78/48/43/1194784843.db2.gz LEBZVTUMKQYZKF-WMLDXEAASA-N 0 3 388.468 0.405 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](N)CC3CCCCC3)CC2)cn1C ZINC000423829350 1194794624 /nfs/dbraw/zinc/79/46/24/1194794624.db2.gz SPVRDRPPDVKCGC-INIZCTEOSA-N 0 3 397.545 0.859 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCCCC(N)=O)c2)CC1 ZINC000504536607 1194796455 /nfs/dbraw/zinc/79/64/55/1194796455.db2.gz QHFGTVWKQALPGA-UHFFFAOYSA-N 0 3 375.473 0.537 20 0 GCADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000504527186 1194797133 /nfs/dbraw/zinc/79/71/33/1194797133.db2.gz XFWYPDCWSZALOO-QGZVFWFLSA-N 0 3 393.509 0.563 20 0 GCADHN CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423993601 1194797820 /nfs/dbraw/zinc/79/78/20/1194797820.db2.gz BAEKURDNUHNLHZ-HUUCEWRRSA-N 0 3 380.518 0.992 20 0 GCADHN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@H]3CNCCO3)n(C)c2)C1 ZINC000423990136 1194798493 /nfs/dbraw/zinc/79/84/93/1194798493.db2.gz JTVGPERTWKYXSL-ZIAGYGMSSA-N 0 3 384.502 0.164 20 0 GCADHN Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c(O)c1 ZINC000424005451 1194798824 /nfs/dbraw/zinc/79/88/24/1194798824.db2.gz RXZSOYUFNIZPLG-OAHLLOKOSA-N 0 3 386.456 0.734 20 0 GCADHN CC(=O)NCCCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504604821 1194801112 /nfs/dbraw/zinc/80/11/12/1194801112.db2.gz HARZGDJGCXNAMZ-UHFFFAOYSA-N 0 3 389.500 0.798 20 0 GCADHN COC(=O)c1cn(CCNC(=O)N(CCN(C)C)Cc2ccccn2)nn1 ZINC000504697967 1194803704 /nfs/dbraw/zinc/80/37/04/1194803704.db2.gz LEOIPPROGDOBMP-UHFFFAOYSA-N 0 3 375.433 0.233 20 0 GCADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000504776009 1194805547 /nfs/dbraw/zinc/80/55/47/1194805547.db2.gz PHMZPUMTGHAXSQ-FBBABVLZSA-N 0 3 386.496 0.980 20 0 GCADHN O=C(CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)N1CCc2ccccc21 ZINC000414779767 1194807027 /nfs/dbraw/zinc/80/70/27/1194807027.db2.gz APJGXUNOGRQDOO-UHFFFAOYSA-N 0 3 394.431 0.813 20 0 GCADHN CCCNC(=S)N1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001279123595 1194808386 /nfs/dbraw/zinc/80/83/86/1194808386.db2.gz RSBNKSQRVZZJNV-LJQANCHMSA-N 0 3 381.590 0.833 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)C[C@H]1c1ccc(F)cc1F ZINC000424467649 1194813745 /nfs/dbraw/zinc/81/37/45/1194813745.db2.gz MUZRDHNPVNHFFP-AEGPPILISA-N 0 3 383.395 0.851 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@]3(O)CCOC3)c2)CC1 ZINC000505026007 1194825093 /nfs/dbraw/zinc/82/50/93/1194825093.db2.gz BXUIWGPNRNQESZ-HXUWFJFHSA-N 0 3 390.484 0.423 20 0 GCADHN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)C2)c1 ZINC000664394363 1194826038 /nfs/dbraw/zinc/82/60/38/1194826038.db2.gz MNSANPZPLMGART-JVPBZIDWSA-N 0 3 392.500 0.846 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C)C3)c2)CC1 ZINC000505069483 1194826454 /nfs/dbraw/zinc/82/64/54/1194826454.db2.gz XRMMCXCGRUJZCA-MRXNPFEDSA-N 0 3 387.484 0.502 20 0 GCADHN COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)CNC[C@@H]2CCCO2)c1 ZINC000430076481 1194826579 /nfs/dbraw/zinc/82/65/79/1194826579.db2.gz DNSNRRFHTUFAPU-AWEZNQCLSA-N 0 3 390.444 0.407 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)CC1 ZINC000424637360 1194827003 /nfs/dbraw/zinc/82/70/03/1194827003.db2.gz CNRYYVKZMPHFBA-UHFFFAOYSA-N 0 3 384.484 0.822 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)C(F)F)c2)CC1 ZINC000505087347 1194827313 /nfs/dbraw/zinc/82/73/13/1194827313.db2.gz MWFAVKKMTYNLAC-OAHLLOKOSA-N 0 3 384.427 0.898 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000664402069 1194830597 /nfs/dbraw/zinc/83/05/97/1194830597.db2.gz ZOHXTTPBUBWDLC-UHFFFAOYSA-N 0 3 396.513 0.178 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CCCNC3=O)c2)CC1 ZINC000664422098 1194847857 /nfs/dbraw/zinc/84/78/57/1194847857.db2.gz OBHQTUZZKAQXLT-HNNXBMFYSA-N 0 3 387.484 0.409 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000434491327 1194848031 /nfs/dbraw/zinc/84/80/31/1194848031.db2.gz BFVZOGVMXVVEFI-RRFJBIMHSA-N 0 3 388.530 0.978 20 0 GCADHN O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCCCc2ccc3c(c2)CCO3)C1 ZINC000280785906 1194853673 /nfs/dbraw/zinc/85/36/73/1194853673.db2.gz HDFQSPCGRDAHRJ-MSOLQXFVSA-N 0 3 380.510 0.642 20 0 GCADHN CCN1CCN(c2ccccc2CN2CCO[C@@H](CN(C)CC(N)=O)C2)CC1 ZINC000434639430 1194857647 /nfs/dbraw/zinc/85/76/47/1194857647.db2.gz VXBZPXOBUWPNNK-IBGZPJMESA-N 0 3 389.544 0.446 20 0 GCADHN COc1ccc(COC[C@@H](O)CN2CCC([C@H](O)C(=O)NC3CC3)CC2)cc1 ZINC000434714997 1194861717 /nfs/dbraw/zinc/86/17/17/1194861717.db2.gz VCENBIQBFWGANL-ICSRJNTNSA-N 0 3 392.496 0.924 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000434712326 1194861732 /nfs/dbraw/zinc/86/17/32/1194861732.db2.gz UYHOGBJOJQQINP-HUUCEWRRSA-N 0 3 381.498 0.838 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000434712325 1194861817 /nfs/dbraw/zinc/86/18/17/1194861817.db2.gz UYHOGBJOJQQINP-GJZGRUSLSA-N 0 3 381.498 0.838 20 0 GCADHN COc1cccc(COC[C@@H](O)CN2CCC([C@H](O)C(=O)NC3CC3)CC2)c1 ZINC000434718223 1194863559 /nfs/dbraw/zinc/86/35/59/1194863559.db2.gz OSRUDOXECXRQII-ICSRJNTNSA-N 0 3 392.496 0.924 20 0 GCADHN COc1ccccc1COC[C@@H](O)CN1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000434718244 1194863637 /nfs/dbraw/zinc/86/36/37/1194863637.db2.gz OZJASPGBSUXUMJ-AZUAARDMSA-N 0 3 392.496 0.924 20 0 GCADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N(C)CCCN1CCN(C)CC1 ZINC000505503474 1194865935 /nfs/dbraw/zinc/86/59/35/1194865935.db2.gz QLZJRCZYCFHPBF-UHFFFAOYSA-N 0 3 388.516 0.929 20 0 GCADHN COCCS(=O)(=O)c1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000430112309 1194866316 /nfs/dbraw/zinc/86/63/16/1194866316.db2.gz CHNDBRUOANYQRA-QGZVFWFLSA-N 0 3 381.498 0.113 20 0 GCADHN CCN1CCN(CCC(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)CC1 ZINC000430115704 1194866720 /nfs/dbraw/zinc/86/67/20/1194866720.db2.gz WBYPMVFVKHKBJA-UHFFFAOYSA-N 0 3 397.541 0.751 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)CC1 ZINC000434735719 1194867273 /nfs/dbraw/zinc/86/72/73/1194867273.db2.gz JCYBWLUFSLSIMT-UHFFFAOYSA-N 0 3 387.484 0.288 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000664448844 1194870991 /nfs/dbraw/zinc/87/09/91/1194870991.db2.gz UBZUWYXGAKYGDY-IAGOWNOFSA-N 0 3 383.537 0.291 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000664448848 1194871122 /nfs/dbraw/zinc/87/11/22/1194871122.db2.gz UBZUWYXGAKYGDY-SJORKVTESA-N 0 3 383.537 0.291 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cc([C@H]3CCCO3)nn2C)CCSC1 ZINC000434925287 1194876856 /nfs/dbraw/zinc/87/68/56/1194876856.db2.gz LVNKATIPRFVYRV-DYVFJYSZSA-N 0 3 381.502 0.764 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cc([C@@H]3CCCO3)nn2C)CCSC1 ZINC000434925291 1194876932 /nfs/dbraw/zinc/87/69/32/1194876932.db2.gz LVNKATIPRFVYRV-SUMWQHHRSA-N 0 3 381.502 0.764 20 0 GCADHN CN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCN(C)CC3)c[nH]2)CC1 ZINC000514490289 1194878233 /nfs/dbraw/zinc/87/82/33/1194878233.db2.gz PAEGCIVCPRHQAU-UHFFFAOYSA-N 0 3 383.518 0.119 20 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1194914464 /nfs/dbraw/zinc/91/44/64/1194914464.db2.gz VVKCDBOSQJZXAR-CZUORRHYSA-N 0 3 379.505 0.815 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCc3cc(C)ccc3O2)CC1=O ZINC000425326170 1194916127 /nfs/dbraw/zinc/91/61/27/1194916127.db2.gz YHCFWTCSAWSOOY-IEBWSBKVSA-N 0 3 389.496 0.984 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCc3cc(C)ccc3O2)CC1=O ZINC000425326171 1194916229 /nfs/dbraw/zinc/91/62/29/1194916229.db2.gz YHCFWTCSAWSOOY-MJGOQNOKSA-N 0 3 389.496 0.984 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C(C)=O)cc2F)CC1=O ZINC000425327234 1194916613 /nfs/dbraw/zinc/91/66/13/1194916613.db2.gz ZJWILJLJLCUIBK-HNNXBMFYSA-N 0 3 379.432 0.937 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)CC1=O ZINC000425327213 1194916800 /nfs/dbraw/zinc/91/68/00/1194916800.db2.gz ZFZBVQAVIALPQM-ROUUACIJSA-N 0 3 388.512 0.808 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)nn1 ZINC000514860279 1194921742 /nfs/dbraw/zinc/92/17/42/1194921742.db2.gz MXSCKAMMKUWHGS-RBUKOAKNSA-N 0 3 384.484 0.801 20 0 GCADHN Cc1ccc(Cn2cccc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c2=O)cc1 ZINC000514873620 1194923869 /nfs/dbraw/zinc/92/38/69/1194923869.db2.gz POKSFXPEJWYORK-IRXDYDNUSA-N 0 3 395.463 0.981 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)NCc2cccc(-n3ccnc3)c2)CC1(C)C ZINC000514881488 1194924385 /nfs/dbraw/zinc/92/43/85/1194924385.db2.gz PGIZWJCRBJZIJM-UHFFFAOYSA-N 0 3 398.511 0.631 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000514892519 1194924550 /nfs/dbraw/zinc/92/45/50/1194924550.db2.gz DDZXTPZVNRGCIO-UHFFFAOYSA-N 0 3 382.530 0.417 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCc2cc(S(C)(=O)=O)ccc2F)CC1=O ZINC000505686674 1194927045 /nfs/dbraw/zinc/92/70/45/1194927045.db2.gz UACINGVSKXGVSA-ZDUSSCGKSA-N 0 3 385.461 0.256 20 0 GCADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000514919804 1194927632 /nfs/dbraw/zinc/92/76/32/1194927632.db2.gz KTBQLGKRPULQGO-UHFFFAOYSA-N 0 3 380.876 0.531 20 0 GCADHN COCCCN(C(=O)CN(C)S(=O)(=O)c1cccnc1)C1CCN(C)CC1 ZINC000515023445 1194938107 /nfs/dbraw/zinc/93/81/07/1194938107.db2.gz FZUKCYLOKBLZRD-UHFFFAOYSA-N 0 3 398.529 0.661 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4ccc(F)cn4)CC3)[C@@H]2C1 ZINC000425389569 1194938134 /nfs/dbraw/zinc/93/81/34/1194938134.db2.gz QAXMYBPKFQMZHB-GOEBONIOSA-N 0 3 375.448 0.422 20 0 GCADHN CN(CC(N)=O)C(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435500650 1194939111 /nfs/dbraw/zinc/93/91/11/1194939111.db2.gz LRNHXAYQLZVKIK-HNNXBMFYSA-N 0 3 384.440 0.212 20 0 GCADHN COc1ccc([C@H](CO)N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425388846 1194939774 /nfs/dbraw/zinc/93/97/74/1194939774.db2.gz PIMUVPCKCLGBFH-JQHSSLGASA-N 0 3 375.469 0.740 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)n1 ZINC000425391218 1194940687 /nfs/dbraw/zinc/94/06/87/1194940687.db2.gz RYDLYQQMXBETKF-UONOGXRCSA-N 0 3 392.529 0.302 20 0 GCADHN CN(C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21)C1CCN(c2cccnn2)CC1 ZINC000425390120 1194941302 /nfs/dbraw/zinc/94/13/02/1194941302.db2.gz QLZSALUREAKLJZ-DOTOQJQBSA-N 0 3 386.500 0.456 20 0 GCADHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000515060533 1194942793 /nfs/dbraw/zinc/94/27/93/1194942793.db2.gz YDWPRGBJODFJCC-DOTOQJQBSA-N 0 3 391.520 0.978 20 0 GCADHN CC1(C)[C@H](NCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C[C@@H]1O ZINC000515069478 1194945128 /nfs/dbraw/zinc/94/51/28/1194945128.db2.gz JBDCHEUNWAUTNL-CVEARBPZSA-N 0 3 399.488 0.408 20 0 GCADHN O=C(CCNC(=O)N1CCc2ccccc2C1)NC[C@@]1(O)CN2CCC1CC2 ZINC000515070652 1194945730 /nfs/dbraw/zinc/94/57/30/1194945730.db2.gz IIPCLOYRNMDNCO-OAQYLSRUSA-N 0 3 386.496 0.717 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000515164964 1194950957 /nfs/dbraw/zinc/95/09/57/1194950957.db2.gz CLJLTPHBFSZYHP-UHFFFAOYSA-N 0 3 378.860 0.446 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccn(C(C)C)n2)CC1 ZINC000515168869 1194951487 /nfs/dbraw/zinc/95/14/87/1194951487.db2.gz HERVWWSRNIPKPG-UHFFFAOYSA-N 0 3 392.504 0.093 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N2CCSC[C@@H]2c2cnn(C)c2)CC1 ZINC000284350210 1194952898 /nfs/dbraw/zinc/95/28/98/1194952898.db2.gz RZVJZTFCNGURHI-MRXNPFEDSA-N 0 3 379.530 0.885 20 0 GCADHN CCN1CCN(c2ccc(C(=O)N3C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C3)cc2)CC1 ZINC000435705893 1194958107 /nfs/dbraw/zinc/95/81/07/1194958107.db2.gz LWXTYXZTGKXOHZ-QZTJIDSGSA-N 0 3 390.484 0.030 20 0 GCADHN CCN1CCN(c2ccc(C(=O)N3C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C3)cc2)CC1 ZINC000435705893 1194958109 /nfs/dbraw/zinc/95/81/09/1194958109.db2.gz LWXTYXZTGKXOHZ-QZTJIDSGSA-N 0 3 390.484 0.030 20 0 GCADHN C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425404352 1194959295 /nfs/dbraw/zinc/95/92/95/1194959295.db2.gz PRUIECNWNBIGBB-BPQIPLTHSA-N 0 3 394.479 0.914 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H](N4CCCC4=O)CC3)[C@@H]2C1 ZINC000425406954 1194963250 /nfs/dbraw/zinc/96/32/50/1194963250.db2.gz USGUVBIDXXNRKI-YESZJQIVSA-N 0 3 376.501 0.543 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)N1CCCC[C@H]1C ZINC000515280031 1194964370 /nfs/dbraw/zinc/96/43/70/1194964370.db2.gz OKURIHUFCXLURN-ZIAGYGMSSA-N 0 3 376.457 0.868 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CC1 ZINC000435803255 1194965966 /nfs/dbraw/zinc/96/59/66/1194965966.db2.gz CZRJANCYBSLXAR-MRXNPFEDSA-N 0 3 397.564 0.464 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1Cl ZINC000515312337 1194967727 /nfs/dbraw/zinc/96/77/27/1194967727.db2.gz KVQZVPYXGJRHTI-WFASDCNBSA-N 0 3 392.887 0.504 20 0 GCADHN Cn1cc(-c2cccc(NC(=O)C(=O)NCCCN3CCN(C)CC3)c2)nn1 ZINC000515312817 1194967848 /nfs/dbraw/zinc/96/78/48/1194967848.db2.gz QXWOYIWFLGISRJ-UHFFFAOYSA-N 0 3 385.472 0.174 20 0 GCADHN COc1ccc(C(=O)NC[C@H]2CNCCO2)cc1S(=O)(=O)NC1CCCC1 ZINC000515404136 1194972578 /nfs/dbraw/zinc/97/25/78/1194972578.db2.gz STMPPOIIAJSEDC-OAHLLOKOSA-N 0 3 397.497 0.634 20 0 GCADHN CC(=O)CCc1ccc(OC[C@@H](O)CNC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000515414145 1194973554 /nfs/dbraw/zinc/97/35/54/1194973554.db2.gz CVVPCTKAKGVKJD-FUHWJXTLSA-N 0 3 385.482 0.351 20 0 GCADHN CSCC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001270044543 1194982425 /nfs/dbraw/zinc/98/24/25/1194982425.db2.gz BUEDDUIBDRGHEI-MAUKXSAKSA-N 0 3 384.546 0.257 20 0 GCADHN COCC(C)(C)NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000436089560 1194984204 /nfs/dbraw/zinc/98/42/04/1194984204.db2.gz OLWFVKNDANAJTF-UHFFFAOYSA-N 0 3 399.513 0.338 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000436124423 1194986239 /nfs/dbraw/zinc/98/62/39/1194986239.db2.gz NRPQUQMQQPDIFT-QGZVFWFLSA-N 0 3 393.532 0.583 20 0 GCADHN O=C(Cn1nnnc1-c1ccsc1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000515654602 1194988831 /nfs/dbraw/zinc/98/88/31/1194988831.db2.gz XYSPHUFLKXDHFY-QGZVFWFLSA-N 0 3 398.492 0.937 20 0 GCADHN Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)nc(C)n1 ZINC000515673321 1194990333 /nfs/dbraw/zinc/99/03/33/1194990333.db2.gz UXGQLEZIUOWBGM-HZPDHXFCSA-N 0 3 387.488 0.016 20 0 GCADHN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000515672696 1194990339 /nfs/dbraw/zinc/99/03/39/1194990339.db2.gz IMNICWXUVQONFZ-YYIAUSFCSA-N 0 3 394.516 0.247 20 0 GCADHN COC(=O)CN(C)C(=O)CCN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436269238 1194994599 /nfs/dbraw/zinc/99/45/99/1194994599.db2.gz JFFXUUIEUDQAJP-MSOLQXFVSA-N 0 3 375.469 0.593 20 0 GCADHN C[C@@H](N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1-n1ccnn1 ZINC000286213721 1194997762 /nfs/dbraw/zinc/99/77/62/1194997762.db2.gz RZCRBYHENSSQOH-SJORKVTESA-N 0 3 384.484 0.851 20 0 GCADHN COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000286681418 1195009946 /nfs/dbraw/zinc/00/99/46/1195009946.db2.gz SJZOEJFWDGJIHP-WDSOQIARSA-N 0 3 388.512 0.603 20 0 GCADHN CSCC[C@H](C(=O)NCCN(C)CCO)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000925009305 1195015023 /nfs/dbraw/zinc/01/50/23/1195015023.db2.gz JSFWQUDOCKVOAQ-RBSFLKMASA-N 0 3 385.530 0.324 20 0 GCADHN CSCC[C@@H](C(=O)NCCN(C)CCO)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000925009316 1195015051 /nfs/dbraw/zinc/01/50/51/1195015051.db2.gz JSFWQUDOCKVOAQ-ZNMIVQPWSA-N 0 3 385.530 0.324 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1nnc2n1CCC2 ZINC000516189893 1195032155 /nfs/dbraw/zinc/03/21/55/1195032155.db2.gz WQIKNTWMBZWIRT-GDBMZVCRSA-N 0 3 384.484 0.691 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)c1nnc2n1CCC2 ZINC000516189894 1195032176 /nfs/dbraw/zinc/03/21/76/1195032176.db2.gz WQIKNTWMBZWIRT-GOEBONIOSA-N 0 3 384.484 0.691 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(C)cc(OC)c2O)CC1=O ZINC000436758858 1195032638 /nfs/dbraw/zinc/03/26/38/1195032638.db2.gz ZXQULNXFJOQQPN-CQSZACIVSA-N 0 3 379.457 0.618 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000505879528 1195035954 /nfs/dbraw/zinc/03/59/54/1195035954.db2.gz JHDOQKRNSZWTOH-MGPQQGTHSA-N 0 3 397.497 0.724 20 0 GCADHN O=C(Cc1ccn(-c2ccccc2)n1)NCCCCN1CCN(CCO)CC1 ZINC000516320745 1195041279 /nfs/dbraw/zinc/04/12/79/1195041279.db2.gz RXNHBOHZMJDFFX-UHFFFAOYSA-N 0 3 385.512 0.921 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664589211 1195045312 /nfs/dbraw/zinc/04/53/12/1195045312.db2.gz XCTJTZAFLVPRAE-LLVKDONJSA-N 0 3 391.394 0.947 20 0 GCADHN O=C(NCCn1cccc1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000288103060 1195049399 /nfs/dbraw/zinc/04/93/99/1195049399.db2.gz WVGIIYVBJGAERD-UHFFFAOYSA-N 0 3 384.480 0.877 20 0 GCADHN O=C(NCCCCN1CCN(c2ncccn2)CC1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425664170 1195052804 /nfs/dbraw/zinc/05/28/04/1195052804.db2.gz OMMHTQWDFOZBRO-INIZCTEOSA-N 0 3 399.503 0.696 20 0 GCADHN NCc1cn([C@H]2CCCN(CC(=O)N3CCN(Cc4ccccc4)CC3)C2)nn1 ZINC000516476837 1195056310 /nfs/dbraw/zinc/05/63/10/1195056310.db2.gz YCUCJZUURSCMJT-FQEVSTJZSA-N 0 3 397.527 0.718 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCc2cnnn2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000288453817 1195059992 /nfs/dbraw/zinc/05/99/92/1195059992.db2.gz QJYIGMQLQZSTGQ-UHFFFAOYSA-N 0 3 399.499 0.909 20 0 GCADHN CCOC(=O)Cn1cnc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000425704886 1195062729 /nfs/dbraw/zinc/06/27/29/1195062729.db2.gz TYDNZSBMVYIXJY-GDBMZVCRSA-N 0 3 386.456 1.483 20 0 GCADHN CCOC(=O)Cn1cnc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000425704888 1195062905 /nfs/dbraw/zinc/06/29/05/1195062905.db2.gz TYDNZSBMVYIXJY-HOCLYGCPSA-N 0 3 386.456 1.483 20 0 GCADHN CN(C)CCN1CC[C@]2(CCN(C(=O)COCC(F)(F)C(F)F)C2)C1=O ZINC001270172200 1195071032 /nfs/dbraw/zinc/07/10/32/1195071032.db2.gz SKGIOFBTZJXFIW-OAHLLOKOSA-N 0 3 383.386 0.916 20 0 GCADHN O=C(CN(CCO)CCO)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001270175877 1195074124 /nfs/dbraw/zinc/07/41/24/1195074124.db2.gz NPWREJMNYYUZLX-UHFFFAOYSA-N 0 3 381.439 0.540 20 0 GCADHN Cn1nc(C(F)(F)F)cc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000664621596 1195090586 /nfs/dbraw/zinc/09/05/86/1195090586.db2.gz KPNPKOAUDLLZLW-JTQLQIEISA-N 0 3 377.367 0.340 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c5c(cccc53)CC4)CCN2C1=O ZINC000516787174 1195096091 /nfs/dbraw/zinc/09/60/91/1195096091.db2.gz PEUFJSHJIZPWJX-GDBMZVCRSA-N 0 3 378.432 0.647 20 0 GCADHN Cc1cn2c(n1)[C@H](CNC(=O)NCCCCN1CCN(CCO)CC1)CCC2 ZINC000506032773 1195097600 /nfs/dbraw/zinc/09/76/00/1195097600.db2.gz OOQMQFCZSTWDQT-SFHVURJKSA-N 0 3 392.548 0.758 20 0 GCADHN Cc1nc(C)c(CCNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)s1 ZINC000516791582 1195097749 /nfs/dbraw/zinc/09/77/49/1195097749.db2.gz IRIRUYDOCXQXLG-ZDUSSCGKSA-N 0 3 381.546 0.418 20 0 GCADHN O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCN(CC2CCOCC2)CC1 ZINC000516820932 1195102813 /nfs/dbraw/zinc/10/28/13/1195102813.db2.gz WUTBAADJEXXDMH-UHFFFAOYSA-N 0 3 399.488 0.675 20 0 GCADHN C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)C1=CCN(C)CC1 ZINC000664630840 1195109757 /nfs/dbraw/zinc/10/97/57/1195109757.db2.gz VUHIENQVHKWIGJ-CYBMUJFWSA-N 0 3 382.490 0.076 20 0 GCADHN CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc1C ZINC000516938918 1195115114 /nfs/dbraw/zinc/11/51/14/1195115114.db2.gz FKHBKSNDNVNKPP-SRVKXCTJSA-N 0 3 395.485 0.643 20 0 GCADHN CN1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H](c4nnc[nH]4)C3)c2)CC1 ZINC000425814425 1195116395 /nfs/dbraw/zinc/11/63/95/1195116395.db2.gz BNYDKXNGXFQWOG-MRXNPFEDSA-N 0 3 397.483 0.507 20 0 GCADHN CO[C@H]1C[C@@H](NCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C12CCC2 ZINC000516955861 1195116871 /nfs/dbraw/zinc/11/68/71/1195116871.db2.gz HPKULXKRJFFXQA-CVEARBPZSA-N 0 3 379.482 0.770 20 0 GCADHN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)[nH]n1 ZINC000516988804 1195121033 /nfs/dbraw/zinc/12/10/33/1195121033.db2.gz VLCSIWGYVANSRO-MAUKXSAKSA-N 0 3 390.532 0.392 20 0 GCADHN COc1c(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc(Cl)cc1C(N)=O ZINC000425820733 1195122869 /nfs/dbraw/zinc/12/28/69/1195122869.db2.gz PHCWINLPCFPKIC-IINYFYTJSA-N 0 3 394.859 0.939 20 0 GCADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000414909549 1195127607 /nfs/dbraw/zinc/12/76/07/1195127607.db2.gz DWEBGGWPJXZIOB-ZDUSSCGKSA-N 0 3 385.468 0.040 20 0 GCADHN Cc1nc(-c2ccc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2)co1 ZINC000517041967 1195128656 /nfs/dbraw/zinc/12/86/56/1195128656.db2.gz HIJUMKUSQBULND-DZGCQCFKSA-N 0 3 376.438 0.583 20 0 GCADHN Cc1cc(N2CCC(NC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)CC2)n[nH]1 ZINC000894339001 1195130765 /nfs/dbraw/zinc/13/07/65/1195130765.db2.gz XDLICVIESASODD-IRXDYDNUSA-N 0 3 376.505 0.928 20 0 GCADHN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000517096761 1195134439 /nfs/dbraw/zinc/13/44/39/1195134439.db2.gz JIXMMAZXVVGHCD-KRWDZBQOSA-N 0 3 395.548 0.875 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)sc2nc3n(c(=O)c12)CCC3 ZINC000517176763 1195147095 /nfs/dbraw/zinc/14/70/95/1195147095.db2.gz RITUTIJZNXBDGC-QWRGUYRKSA-N 0 3 387.465 0.097 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000517196261 1195150193 /nfs/dbraw/zinc/15/01/93/1195150193.db2.gz NOVLQODJSXSNFX-WBVHZDCISA-N 0 3 390.484 0.333 20 0 GCADHN CN1CCC[C@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1=O ZINC000425891732 1195154720 /nfs/dbraw/zinc/15/47/20/1195154720.db2.gz UGLIXNUMLOVFJV-OKZBNKHCSA-N 0 3 384.480 0.456 20 0 GCADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425893880 1195155921 /nfs/dbraw/zinc/15/59/21/1195155921.db2.gz SQDKWKXCDKZJBK-GBESFXJTSA-N 0 3 398.507 0.846 20 0 GCADHN COc1ccnc(CNC(=O)C(=O)N(CCN(C)C)Cc2cccs2)n1 ZINC000425899667 1195158035 /nfs/dbraw/zinc/15/80/35/1195158035.db2.gz PEFNOQBARUAZTO-UHFFFAOYSA-N 0 3 377.470 0.753 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)N2CCN(Cc3nc(COC)no3)CC2)C1(C)C ZINC000517234280 1195159780 /nfs/dbraw/zinc/15/97/80/1195159780.db2.gz DBBNLOBGDBBMDI-UGSOOPFHSA-N 0 3 381.477 0.393 20 0 GCADHN COC(=O)c1cc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)n(C)c1C ZINC000291038693 1195162539 /nfs/dbraw/zinc/16/25/39/1195162539.db2.gz KLCIGJXBDSIJBI-HNNXBMFYSA-N 0 3 378.473 0.143 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000517263814 1195163929 /nfs/dbraw/zinc/16/39/29/1195163929.db2.gz ZNVHHMAQJLMWTB-NSHDSACASA-N 0 3 378.395 0.414 20 0 GCADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000032941694 1195166373 /nfs/dbraw/zinc/16/63/73/1195166373.db2.gz GAZYOTBXSMWONR-UHFFFAOYSA-N 0 3 392.485 0.664 20 0 GCADHN CNC(=O)COc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1OC ZINC000506159464 1195171824 /nfs/dbraw/zinc/17/18/24/1195171824.db2.gz IFLXQFOKBXTGFK-UHFFFAOYSA-N 0 3 378.473 0.187 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000437972265 1195177235 /nfs/dbraw/zinc/17/72/35/1195177235.db2.gz AWJZNZXFKLDUBZ-RDJZCZTQSA-N 0 3 384.521 0.216 20 0 GCADHN COc1ccc([C@@H]2CCCN2C(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)c(OC)c1 ZINC000517387748 1195177849 /nfs/dbraw/zinc/17/78/49/1195177849.db2.gz NLEZRSGKEFISMC-BZSNNMDCSA-N 0 3 377.485 0.974 20 0 GCADHN O=C(NCc1ccccc1OCCO)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000506169015 1195178004 /nfs/dbraw/zinc/17/80/04/1195178004.db2.gz SIIFKWUYXLCILX-KRWDZBQOSA-N 0 3 375.469 0.761 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCCN(c4cccc(F)c4)C3)CCN2C1=O ZINC000517394548 1195178618 /nfs/dbraw/zinc/17/86/18/1195178618.db2.gz LSPOFRJSHLERLH-HYVNUMGLSA-N 0 3 375.448 0.748 20 0 GCADHN CN1CCN([C@@H](C(=O)NCCCN2CCC[C@@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407251 1195180274 /nfs/dbraw/zinc/18/02/74/1195180274.db2.gz SMZVJMAQSIXRTR-RTBURBONSA-N 0 3 387.528 0.431 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000517409843 1195180749 /nfs/dbraw/zinc/18/07/49/1195180749.db2.gz JFXSWMGBRMTVSC-UHFFFAOYSA-N 0 3 397.516 0.794 20 0 GCADHN CCc1ncc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000438102312 1195186928 /nfs/dbraw/zinc/18/69/28/1195186928.db2.gz DKOQIVMPGWHGQL-AWEZNQCLSA-N 0 3 376.461 0.036 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000517558393 1195190653 /nfs/dbraw/zinc/19/06/53/1195190653.db2.gz RZMFAKRDRXUBIJ-DOTOQJQBSA-N 0 3 389.500 0.812 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000517558393 1195190654 /nfs/dbraw/zinc/19/06/54/1195190654.db2.gz RZMFAKRDRXUBIJ-DOTOQJQBSA-N 0 3 389.500 0.812 20 0 GCADHN CC(C)OCCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000414926368 1195203224 /nfs/dbraw/zinc/20/32/24/1195203224.db2.gz KDHPGYHMPDVPMD-UHFFFAOYSA-N 0 3 390.484 0.676 20 0 GCADHN CC[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1nnc2n1CCCCC2 ZINC000469392811 1195210379 /nfs/dbraw/zinc/21/03/79/1195210379.db2.gz HDKFYJRGEHNNKK-GJZGRUSLSA-N 0 3 376.505 0.982 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1c1nc(N)nc(C(F)(F)C(F)(F)F)n1 ZINC000894353202 1195211089 /nfs/dbraw/zinc/21/10/89/1195211089.db2.gz FLGRWYSBDQEFPM-ZETCQYMHSA-N 0 3 383.325 0.664 20 0 GCADHN Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1S(=O)(=O)NC1CCCC1 ZINC000517758058 1195214480 /nfs/dbraw/zinc/21/44/80/1195214480.db2.gz YOMAFQWKDARGOR-IRXDYDNUSA-N 0 3 395.525 0.963 20 0 GCADHN COCCN(CCN(C)C)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000729431179 1195220223 /nfs/dbraw/zinc/22/02/23/1195220223.db2.gz JBYCVGAJBMGCNG-INIZCTEOSA-N 0 3 379.436 0.282 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2cnc3sccn3c2=O)CC1 ZINC000506261840 1195223188 /nfs/dbraw/zinc/22/31/88/1195223188.db2.gz AAWPSHQKBFUCSX-UHFFFAOYSA-N 0 3 378.454 0.761 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N(C)Cc2ncnn2CC(F)F)CC1 ZINC000426047967 1195225213 /nfs/dbraw/zinc/22/52/13/1195225213.db2.gz HJUILVZQKKBLNC-CQSZACIVSA-N 0 3 387.479 0.958 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC2(CCOCC2)[C@@H]1C)CN1CCN(C)CC1 ZINC000517974251 1195232929 /nfs/dbraw/zinc/23/29/29/1195232929.db2.gz QQIKWHJYSOELCQ-SJORKVTESA-N 0 3 380.533 0.404 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC2(CCOCC2)[C@@H]1C)CN1CCN(C)CC1 ZINC000517974250 1195233228 /nfs/dbraw/zinc/23/32/28/1195233228.db2.gz QQIKWHJYSOELCQ-IRXDYDNUSA-N 0 3 380.533 0.404 20 0 GCADHN CCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000518031522 1195240259 /nfs/dbraw/zinc/24/02/59/1195240259.db2.gz BTMQKMXNJIDTSF-UHFFFAOYSA-N 0 3 379.486 0.738 20 0 GCADHN CCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000518031522 1195240263 /nfs/dbraw/zinc/24/02/63/1195240263.db2.gz BTMQKMXNJIDTSF-UHFFFAOYSA-N 0 3 379.486 0.738 20 0 GCADHN CCCN(C)CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000518031522 1195240267 /nfs/dbraw/zinc/24/02/67/1195240267.db2.gz BTMQKMXNJIDTSF-UHFFFAOYSA-N 0 3 379.486 0.738 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H](NS(C)(=O)=O)[C@@H](C)CC ZINC000426146751 1195246841 /nfs/dbraw/zinc/24/68/41/1195246841.db2.gz YRAZTDPRXUFLNE-IRXDYDNUSA-N 0 3 390.594 0.826 20 0 GCADHN CCCNC(=O)C1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000518106790 1195249409 /nfs/dbraw/zinc/24/94/09/1195249409.db2.gz MZQUSXYXKGPZDR-KRWDZBQOSA-N 0 3 395.548 0.877 20 0 GCADHN CCN(CCOCCO)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000506396926 1195257783 /nfs/dbraw/zinc/25/77/83/1195257783.db2.gz DOYXIQLLXNIRMB-UHFFFAOYSA-N 0 3 377.485 0.059 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000429627608 1195258909 /nfs/dbraw/zinc/25/89/09/1195258909.db2.gz OITPXHNJTPVQHS-NSHDSACASA-N 0 3 388.419 1.086 20 0 GCADHN CCc1nn(C)cc1CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000506404967 1195259061 /nfs/dbraw/zinc/25/90/61/1195259061.db2.gz QFKLTXWMLXEZAK-UHFFFAOYSA-N 0 3 383.496 0.814 20 0 GCADHN O=C(CN1CCC[C@@H]1CCO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000426198767 1195260452 /nfs/dbraw/zinc/26/04/52/1195260452.db2.gz MNFSUUTZZUCXEA-MRXNPFEDSA-N 0 3 399.488 0.505 20 0 GCADHN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000438887998 1195266037 /nfs/dbraw/zinc/26/60/37/1195266037.db2.gz SLERAOUWTNCBJN-AEFFLSMTSA-N 0 3 399.495 0.087 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)CCN2C1=O ZINC000518218595 1195267138 /nfs/dbraw/zinc/26/71/38/1195267138.db2.gz OMIRAJGNKVRBBO-OCCSQVGLSA-N 0 3 390.419 0.521 20 0 GCADHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000518217399 1195268254 /nfs/dbraw/zinc/26/82/54/1195268254.db2.gz QWAHDVOBBMUFHS-KUHUBIRLSA-N 0 3 393.440 0.207 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)NCc2ccnc3ccnn32)Cc2ccccc2C1 ZINC000506438115 1195268956 /nfs/dbraw/zinc/26/89/56/1195268956.db2.gz LITNBKOPJBWKHZ-UHFFFAOYSA-N 0 3 392.463 0.561 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCN3)CC1 ZINC000414979209 1195285169 /nfs/dbraw/zinc/28/51/69/1195285169.db2.gz UEOVRMXOLWOVTG-SFHVURJKSA-N 0 3 399.495 0.748 20 0 GCADHN CN(c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCCC1 ZINC000518398716 1195286634 /nfs/dbraw/zinc/28/66/34/1195286634.db2.gz ZBJXVBLTGHJYTO-JKSUJKDBSA-N 0 3 399.495 0.774 20 0 GCADHN COCC(=O)N1CCc2cc(NC(=O)C(=O)N(C)CCN3CCCC3)ccc21 ZINC000439197682 1195295259 /nfs/dbraw/zinc/29/52/59/1195295259.db2.gz JTXDBWQBGKQCAW-UHFFFAOYSA-N 0 3 388.468 0.715 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC000439202418 1195295879 /nfs/dbraw/zinc/29/58/79/1195295879.db2.gz FSWCCYVVCSSHGA-UHFFFAOYSA-N 0 3 382.486 0.575 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)N(C)CCN2CCCC2)c(OC)c(OC)c1 ZINC000439213385 1195297510 /nfs/dbraw/zinc/29/75/10/1195297510.db2.gz VDRHVKYRHIGMTO-UHFFFAOYSA-N 0 3 393.440 0.983 20 0 GCADHN CO[C@H](CNCc1ccccc1S(=O)(=O)N1CCN(C)CC1)[C@@H]1CCOC1 ZINC000638606211 1195303112 /nfs/dbraw/zinc/30/31/12/1195303112.db2.gz WVGDYEDODOFJLG-QZTJIDSGSA-N 0 3 397.541 0.764 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(CCO)CC3CC3)cc2)CC1 ZINC000506547801 1195308394 /nfs/dbraw/zinc/30/83/94/1195308394.db2.gz JYSALCMRMXAWFG-UHFFFAOYSA-N 0 3 388.512 0.994 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCCN(C(=O)[C@H]3CSCC(=O)N3)CC2)C1=O ZINC001270476045 1195309745 /nfs/dbraw/zinc/30/97/45/1195309745.db2.gz UPGIRDZIMKFNRZ-KDOFPFPSSA-N 0 3 382.530 0.011 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC)o2)CC1 ZINC000518620902 1195310894 /nfs/dbraw/zinc/31/08/94/1195310894.db2.gz ZILYBVITEQXDAR-UHFFFAOYSA-N 0 3 387.458 0.241 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000439347450 1195311322 /nfs/dbraw/zinc/31/13/22/1195311322.db2.gz VVIGAIFJLBNPCI-KRWDZBQOSA-N 0 3 387.528 0.925 20 0 GCADHN CC[C@@H](NC(=O)NC[C@@H](C)CN1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000439362734 1195313746 /nfs/dbraw/zinc/31/37/46/1195313746.db2.gz XWPMHPHSWWHOIN-IAGOWNOFSA-N 0 3 383.537 0.197 20 0 GCADHN CC[C@@H](NC(=O)NC[C@H](C)CN1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000439362733 1195313889 /nfs/dbraw/zinc/31/38/89/1195313889.db2.gz XWPMHPHSWWHOIN-DLBZAZTESA-N 0 3 383.537 0.197 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000729434185 1195315537 /nfs/dbraw/zinc/31/55/37/1195315537.db2.gz SZVCBJFRFLUDDZ-AWEZNQCLSA-N 0 3 395.481 0.400 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000518771118 1195328652 /nfs/dbraw/zinc/32/86/52/1195328652.db2.gz JGEIJARWUIKKRN-ULQDDVLXSA-N 0 3 376.501 0.543 20 0 GCADHN Cc1nc2ccc(NC(=O)C(=O)N(CCOCCO)CCN(C)C)cc2s1 ZINC000439617801 1195337277 /nfs/dbraw/zinc/33/72/77/1195337277.db2.gz WZGBMUTWTZHIGL-UHFFFAOYSA-N 0 3 394.497 0.942 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CN1C1CC1 ZINC000518832846 1195337747 /nfs/dbraw/zinc/33/77/47/1195337747.db2.gz WYAKOSHTSBBYJR-IKGGRYGDSA-N 0 3 378.517 0.299 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000439629102 1195338763 /nfs/dbraw/zinc/33/87/63/1195338763.db2.gz QQVRJYWFCARUHS-UHFFFAOYSA-N 0 3 376.457 0.516 20 0 GCADHN Cc1cc2cc[nH]c2cc1NC(=O)C(=O)N(CCOCCO)CCN(C)C ZINC000439649995 1195339485 /nfs/dbraw/zinc/33/94/85/1195339485.db2.gz RBUPMHFSGCJSPI-UHFFFAOYSA-N 0 3 376.457 0.814 20 0 GCADHN O=S(=O)(CCNC[C@H](O)COc1ccccc1F)NC[C@@H]1CCCCO1 ZINC000518964893 1195351822 /nfs/dbraw/zinc/35/18/22/1195351822.db2.gz FOPSYJXDTGUIJQ-GJZGRUSLSA-N 0 3 390.477 0.644 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1)CN1CCN(C)CC1 ZINC000426499391 1195355726 /nfs/dbraw/zinc/35/57/26/1195355726.db2.gz QSXKCZLQKXDRTP-CABCVRRESA-N 0 3 376.505 0.792 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000519016062 1195360074 /nfs/dbraw/zinc/36/00/74/1195360074.db2.gz RGRSRRPMTRRLSL-UHFFFAOYSA-N 0 3 395.510 0.724 20 0 GCADHN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@H](CO)C1CCOCC1 ZINC000519021206 1195360794 /nfs/dbraw/zinc/36/07/94/1195360794.db2.gz GAGHKIIFKAJCCN-MRXNPFEDSA-N 0 3 379.457 0.435 20 0 GCADHN O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)[C@H]1CCCN1C1CCCC1 ZINC000439974923 1195371618 /nfs/dbraw/zinc/37/16/18/1195371618.db2.gz YOFCQWLTHMNYCQ-IAGOWNOFSA-N 0 3 387.546 0.998 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCOC3(CCOCC3)C2)o1 ZINC000298586067 1195373346 /nfs/dbraw/zinc/37/33/46/1195373346.db2.gz PADXAJNCLAJQTO-UHFFFAOYSA-N 0 3 393.484 0.886 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCN1CCCC1=O ZINC000519175631 1195376563 /nfs/dbraw/zinc/37/65/63/1195376563.db2.gz WDJVKNVKBDHDDW-UHFFFAOYSA-N 0 3 378.448 0.455 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000664783373 1195380506 /nfs/dbraw/zinc/38/05/06/1195380506.db2.gz GPIBBDYIQNVUCO-OAHLLOKOSA-N 0 3 389.566 0.677 20 0 GCADHN C/C=C\C[C@H](CO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000473610786 1195387091 /nfs/dbraw/zinc/38/70/91/1195387091.db2.gz MWGAHKDVCZPKOC-ZRUQZJFASA-N 0 3 390.440 0.538 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000519288517 1195389384 /nfs/dbraw/zinc/38/93/84/1195389384.db2.gz BRRGMDOZPNYQQK-GJZGRUSLSA-N 0 3 398.573 0.993 20 0 GCADHN COCC1(O)CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000299192713 1195392198 /nfs/dbraw/zinc/39/21/98/1195392198.db2.gz SGJWZRRMWTWZMR-UHFFFAOYSA-N 0 3 395.475 0.716 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@]1(C)CCCO ZINC000519367620 1195396384 /nfs/dbraw/zinc/39/63/84/1195396384.db2.gz NMXTZGVOXXMDNN-OXQOHEQNSA-N 0 3 396.532 0.199 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000519386678 1195399342 /nfs/dbraw/zinc/39/93/42/1195399342.db2.gz AKGZQLLHSOTNES-UHFFFAOYSA-N 0 3 376.457 0.730 20 0 GCADHN C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1nnc2n1CCC2 ZINC000519409607 1195403652 /nfs/dbraw/zinc/40/36/52/1195403652.db2.gz CDYABGRLFHBKGI-KBPBESRZSA-N 0 3 377.493 0.527 20 0 GCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000519419185 1195405109 /nfs/dbraw/zinc/40/51/09/1195405109.db2.gz GQFGDAUJENJYPU-LSDHHAIUSA-N 0 3 385.468 0.547 20 0 GCADHN O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000550030327 1195415102 /nfs/dbraw/zinc/41/51/02/1195415102.db2.gz GDVKRIVZHMHJOS-IBGZPJMESA-N 0 3 399.539 0.273 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)nc1)Cc1ccccc1 ZINC000550033560 1195416019 /nfs/dbraw/zinc/41/60/19/1195416019.db2.gz DWJBRBLPOIFMDQ-MRXNPFEDSA-N 0 3 383.452 0.086 20 0 GCADHN Cc1nc(Cn2nnc(C(=O)NCCCCN3C[C@@H](C)O[C@@H](C)C3)c2C)no1 ZINC000426653991 1195416573 /nfs/dbraw/zinc/41/65/73/1195416573.db2.gz HHMFRDDZOQJYBJ-BETUJISGSA-N 0 3 391.476 0.945 20 0 GCADHN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N(C)CCN(C)C3CC3)cc21 ZINC000187724607 1195420974 /nfs/dbraw/zinc/42/09/74/1195420974.db2.gz DDTFJFFHYXFRAX-UHFFFAOYSA-N 0 3 385.468 0.878 20 0 GCADHN COC(=O)C1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000550037015 1195421437 /nfs/dbraw/zinc/42/14/37/1195421437.db2.gz RSEPCWWTPIRLES-KRWDZBQOSA-N 0 3 375.469 0.687 20 0 GCADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000550037553 1195422104 /nfs/dbraw/zinc/42/21/04/1195422104.db2.gz WABLTKWAIUKIRF-FGTMMUONSA-N 0 3 377.485 0.586 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NCCN1CCOC(C)(C)C1)Cc1ccccc1 ZINC000550037059 1195422222 /nfs/dbraw/zinc/42/22/22/1195422222.db2.gz SOFHOGQEMNJINW-SFHVURJKSA-N 0 3 390.528 0.503 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCn4ncnc4C3)c2)CC1 ZINC000473631077 1195425113 /nfs/dbraw/zinc/42/51/13/1195425113.db2.gz KJEGESJJWBBQCH-UHFFFAOYSA-N 0 3 397.483 0.789 20 0 GCADHN CN1CCN(CCNC(=O)N(CCN2CCOCC2)CC2CC2)CC1(C)C ZINC000664814507 1195427670 /nfs/dbraw/zinc/42/76/70/1195427670.db2.gz GDCOUTSWELPWRS-UHFFFAOYSA-N 0 3 381.565 0.766 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000110865517 1195431758 /nfs/dbraw/zinc/43/17/58/1195431758.db2.gz LOOQVBBJAPYINY-UHFFFAOYSA-N 0 3 388.578 0.580 20 0 GCADHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000120479234 1195438866 /nfs/dbraw/zinc/43/88/66/1195438866.db2.gz TYKNZGWFBLFAOP-LSDHHAIUSA-N 0 3 375.477 0.369 20 0 GCADHN C[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C(=O)NCCN1CCCCC1 ZINC000550132754 1195443785 /nfs/dbraw/zinc/44/37/85/1195443785.db2.gz IFZNPYQOBDSQNI-KGLIPLIRSA-N 0 3 390.550 0.057 20 0 GCADHN Cn1cc(C[C@@H](CO)CNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 ZINC000550132544 1195445537 /nfs/dbraw/zinc/44/55/37/1195445537.db2.gz HZJRMTSBKUGUPX-LJQANCHMSA-N 0 3 385.512 0.900 20 0 GCADHN O=C(CN[C@@H](C1CC1)[C@]1(CO)CCCO1)Nc1cc(-n2cnnn2)ccc1F ZINC000550141146 1195447872 /nfs/dbraw/zinc/44/78/72/1195447872.db2.gz PVKCSYTWWUVELB-ZWKOTPCHSA-N 0 3 390.419 0.650 20 0 GCADHN CN1CCN(CCNC(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)CC1(C)C ZINC000894602947 1195449779 /nfs/dbraw/zinc/44/97/79/1195449779.db2.gz ZCRCKVAHQNTEIR-INIZCTEOSA-N 0 3 386.562 0.621 20 0 GCADHN COC(=O)[C@@H]1[C@H](CN[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1(F)F ZINC000894603652 1195449893 /nfs/dbraw/zinc/44/98/93/1195449893.db2.gz WRRKWBLYOPZPMF-TUKIKUTGSA-N 0 3 399.442 0.851 20 0 GCADHN O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NCCN1CC[C@H](O)C1 ZINC001670802284 1195451429 /nfs/dbraw/zinc/45/14/29/1195451429.db2.gz YMHCBAUDKMAQGB-JTQLQIEISA-N 0 3 396.922 0.046 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCc2cccc(F)c2)CC1 ZINC000550184673 1195456033 /nfs/dbraw/zinc/45/60/33/1195456033.db2.gz UIJGJOAVOCEZMQ-UHFFFAOYSA-N 0 3 390.459 0.251 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCCc1nnc2n1CCCCC2)N1CCC[C@@H](C)C1 ZINC000550203475 1195460541 /nfs/dbraw/zinc/46/05/41/1195460541.db2.gz RBFVWMYMPMEKOW-CVEARBPZSA-N 0 3 390.532 0.900 20 0 GCADHN C[C@H](Cn1cccn1)NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000550205674 1195461665 /nfs/dbraw/zinc/46/16/65/1195461665.db2.gz PNSIYLFCQNXAAR-QGZVFWFLSA-N 0 3 398.511 0.948 20 0 GCADHN C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NCCN1CCCCC1 ZINC000550219517 1195462865 /nfs/dbraw/zinc/46/28/65/1195462865.db2.gz SJRIYLAGWXLQPJ-CQSZACIVSA-N 0 3 386.452 0.389 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000550225388 1195465385 /nfs/dbraw/zinc/46/53/85/1195465385.db2.gz UCBCXWJWQPZDFY-UHFFFAOYSA-N 0 3 393.435 0.940 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000550232448 1195467236 /nfs/dbraw/zinc/46/72/36/1195467236.db2.gz IYKPTAKKHBWCFS-KRWDZBQOSA-N 0 3 387.484 0.662 20 0 GCADHN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894772837 1195469772 /nfs/dbraw/zinc/46/97/72/1195469772.db2.gz DZFWGDYJWIRAKZ-RCCFBDPRSA-N 0 3 393.532 0.907 20 0 GCADHN COC(=O)[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC000473828953 1195472015 /nfs/dbraw/zinc/47/20/15/1195472015.db2.gz KRNVEYFLTYMWME-XHSDSOJGSA-N 0 3 382.505 0.770 20 0 GCADHN Cc1onc(NC(=O)C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1C ZINC000550268050 1195473011 /nfs/dbraw/zinc/47/30/11/1195473011.db2.gz OCBXBEWZTIHVPH-UHFFFAOYSA-N 0 3 385.468 1.294 20 0 GCADHN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664846623 1195475158 /nfs/dbraw/zinc/47/51/58/1195475158.db2.gz RRDWNMSSFCORQC-KBMXLJTQSA-N 0 3 384.502 0.060 20 0 GCADHN Cc1ncc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)[nH]1 ZINC000983674961 1195477022 /nfs/dbraw/zinc/47/70/22/1195477022.db2.gz JOJDQSQTCAKGFY-LNCBFAARSA-N 0 3 377.489 0.794 20 0 GCADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cn2)C[C@@H](C)O1 ZINC000519583268 1195478441 /nfs/dbraw/zinc/47/84/41/1195478441.db2.gz KHSOHVKYICUBEA-PNBKFKSVSA-N 0 3 387.484 0.796 20 0 GCADHN COC[C@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)n1 ZINC000426711672 1195478888 /nfs/dbraw/zinc/47/88/88/1195478888.db2.gz QKPCGHMMXMLSKD-LSDHHAIUSA-N 0 3 381.477 0.598 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000426710936 1195478924 /nfs/dbraw/zinc/47/89/24/1195478924.db2.gz MAXYUPGVLVANTH-LLVKDONJSA-N 0 3 389.403 0.529 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NC[C@H]2CNCCO2)cc1 ZINC000415217004 1195481498 /nfs/dbraw/zinc/48/14/98/1195481498.db2.gz SYUWNILALUCJEM-SWLSCSKDSA-N 0 3 378.429 0.478 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@H](O)CN1CCC(Cn2cncn2)CC1 ZINC000426769200 1195482359 /nfs/dbraw/zinc/48/23/59/1195482359.db2.gz GVVQMDUHYIHPCJ-QGZVFWFLSA-N 0 3 384.440 0.868 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000550278589 1195482945 /nfs/dbraw/zinc/48/29/45/1195482945.db2.gz XAFAFBHUMWKVFU-ROUUACIJSA-N 0 3 382.549 0.840 20 0 GCADHN CN(CC(=O)NCCCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000507074664 1195490328 /nfs/dbraw/zinc/49/03/28/1195490328.db2.gz AIRQISCIZIDBMD-SFHVURJKSA-N 0 3 379.526 0.670 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)N(C)[C@@H]3CCCOC3)ccc2oc1=O ZINC000507075253 1195490372 /nfs/dbraw/zinc/49/03/72/1195490372.db2.gz CXNOXWVUDOSZBM-CQSZACIVSA-N 0 3 390.440 0.732 20 0 GCADHN C[C@@H]1CCN(C(=O)CCc2nc[nH]n2)[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000983701835 1195494679 /nfs/dbraw/zinc/49/46/79/1195494679.db2.gz LTTRKNGJVNLIAE-LVQVYYBASA-N 0 3 392.504 0.200 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2c[nH]nc2-c2cnn(CC)c2)CC1 ZINC000427074924 1195504382 /nfs/dbraw/zinc/50/43/82/1195504382.db2.gz YVLQDMRVAMILLD-UHFFFAOYSA-N 0 3 387.488 0.919 20 0 GCADHN C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)n2)CC1 ZINC000427070779 1195504602 /nfs/dbraw/zinc/50/46/02/1195504602.db2.gz YJFLVHLXUADMEZ-UHFFFAOYSA-N 0 3 375.404 1.249 20 0 GCADHN Nc1c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cnn1-c1ccccn1 ZINC000550282625 1195506159 /nfs/dbraw/zinc/50/61/59/1195506159.db2.gz ZIEVMCKNDMPSJN-UHFFFAOYSA-N 0 3 383.456 0.230 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1)CN1CCN(C)CC1 ZINC000427086619 1195506714 /nfs/dbraw/zinc/50/67/14/1195506714.db2.gz KKICNXZLNRDJKI-OAHLLOKOSA-N 0 3 399.495 0.477 20 0 GCADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)c1ccc[nH]c1=S)C2 ZINC001270741837 1195514698 /nfs/dbraw/zinc/51/46/98/1195514698.db2.gz DVAQESQCJORLHI-GOSISDBHSA-N 0 3 378.498 0.623 20 0 GCADHN COc1ccc(CCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1S(N)(=O)=O ZINC000507409999 1195517598 /nfs/dbraw/zinc/51/75/98/1195517598.db2.gz SNGSDNSODNOFFC-OAHLLOKOSA-N 0 3 396.513 0.763 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000427314188 1195527296 /nfs/dbraw/zinc/52/72/96/1195527296.db2.gz IKCAKIARIRKDDJ-HNNXBMFYSA-N 0 3 399.495 0.619 20 0 GCADHN Cc1nc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)sc1C ZINC000507534552 1195528924 /nfs/dbraw/zinc/52/89/24/1195528924.db2.gz UNRJPLOTRKYEAN-CQSZACIVSA-N 0 3 393.513 0.141 20 0 GCADHN C[C@H]1CSC[C@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000507659034 1195544799 /nfs/dbraw/zinc/54/47/99/1195544799.db2.gz XHTLKBBCNKRFMF-WCQYABFASA-N 0 3 392.481 0.962 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000507714592 1195549866 /nfs/dbraw/zinc/54/98/66/1195549866.db2.gz BYRPHQMLYBJKBX-UHFFFAOYSA-N 0 3 389.500 0.600 20 0 GCADHN COc1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC000550300834 1195554074 /nfs/dbraw/zinc/55/40/74/1195554074.db2.gz ZEXPPJVFZQOIAL-SFHVURJKSA-N 0 3 388.512 0.938 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000664912508 1195554664 /nfs/dbraw/zinc/55/46/64/1195554664.db2.gz ZOLSCRQMBVTPQI-DOTOQJQBSA-N 0 3 395.529 0.441 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3N3CCCCC3)CCN2C1=O ZINC000519619830 1195558192 /nfs/dbraw/zinc/55/81/92/1195558192.db2.gz WIBVUUDKGXLUBW-HUUCEWRRSA-N 0 3 385.468 0.386 20 0 GCADHN COCCN(C)C[C@@H](O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O ZINC000519649870 1195561935 /nfs/dbraw/zinc/56/19/35/1195561935.db2.gz NTBZEPSBGREXDX-SNVBAGLBSA-N 0 3 390.362 0.053 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 ZINC000440565569 1195564502 /nfs/dbraw/zinc/56/45/02/1195564502.db2.gz SASIIVGFLILPKN-UHFFFAOYSA-N 0 3 387.502 0.948 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000519787333 1195571512 /nfs/dbraw/zinc/57/15/12/1195571512.db2.gz BOYAGUYEMOBSTJ-AWEZNQCLSA-N 0 3 386.493 0.246 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccnc(OC4CCOCC4)c3)CCN2C1=O ZINC000519835921 1195575185 /nfs/dbraw/zinc/57/51/85/1195575185.db2.gz ZDQZHYNEMRXLDI-HOCLYGCPSA-N 0 3 389.456 0.093 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CN1C1CC1 ZINC000440908135 1195589823 /nfs/dbraw/zinc/58/98/23/1195589823.db2.gz BZIYABLANDIMCH-IGCXYCKISA-N 0 3 398.463 0.658 20 0 GCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000440983058 1195592472 /nfs/dbraw/zinc/59/24/72/1195592472.db2.gz MRKCYBYNCQMSIG-KRWDZBQOSA-N 0 3 396.580 0.254 20 0 GCADHN CN1CCN(CCNC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1(C)C ZINC000440987585 1195593902 /nfs/dbraw/zinc/59/39/02/1195593902.db2.gz WSOUDTDHAQMFQU-ZDUSSCGKSA-N 0 3 393.454 0.722 20 0 GCADHN CSc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)c1 ZINC000520086874 1195595308 /nfs/dbraw/zinc/59/53/08/1195595308.db2.gz SEYRDLPLLVHYFS-LBPRGKRZSA-N 0 3 389.485 0.923 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000520086656 1195595673 /nfs/dbraw/zinc/59/56/73/1195595673.db2.gz GBKVTTAKMDVJJL-ZIAGYGMSSA-N 0 3 396.513 0.912 20 0 GCADHN CN(C)CCN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000520166422 1195603815 /nfs/dbraw/zinc/60/38/15/1195603815.db2.gz JXUWVWSYNNTHIF-UHFFFAOYSA-N 0 3 383.452 0.784 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[S@@](=O)C3)c(C)c2)CC1 ZINC000441185105 1195610752 /nfs/dbraw/zinc/61/07/52/1195610752.db2.gz SAIGQLRKWBWMFY-KUNJGFBQSA-N 0 3 392.525 0.713 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)[C@H]2C1 ZINC000520271625 1195613261 /nfs/dbraw/zinc/61/32/61/1195613261.db2.gz QCEHKSXOONSXSD-VUNQQRPYSA-N 0 3 375.473 0.261 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000441225874 1195614227 /nfs/dbraw/zinc/61/42/27/1195614227.db2.gz FHSJTMKJOWWWEU-DXPJPUQTSA-N 0 3 395.550 0.854 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000441225871 1195614354 /nfs/dbraw/zinc/61/43/54/1195614354.db2.gz FHSJTMKJOWWWEU-AKJBCIBTSA-N 0 3 395.550 0.854 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000507738433 1195618101 /nfs/dbraw/zinc/61/81/01/1195618101.db2.gz IJLUNXFPRBPBJF-UHFFFAOYSA-N 0 3 394.491 0.807 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000473896641 1195618138 /nfs/dbraw/zinc/61/81/38/1195618138.db2.gz RJTXZPPWHBTGRF-UHFFFAOYSA-N 0 3 397.545 0.549 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 ZINC000188416006 1195632295 /nfs/dbraw/zinc/63/22/95/1195632295.db2.gz XFRHVYWQBCRYJF-GJZGRUSLSA-N 0 3 376.505 0.935 20 0 GCADHN Cc1nnc2n1C[C@H](CNC(=O)C(=O)NCC(C)(C)N1CCCCC1)CC2 ZINC000550349477 1195640248 /nfs/dbraw/zinc/64/02/48/1195640248.db2.gz RAYAGLKTMCXMAK-HNNXBMFYSA-N 0 3 376.505 0.646 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000046947701 1195641483 /nfs/dbraw/zinc/64/14/83/1195641483.db2.gz CXWJXQVASCIBSJ-OAHLLOKOSA-N 0 3 394.541 0.765 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)N1CCOCC1 ZINC000550362268 1195645743 /nfs/dbraw/zinc/64/57/43/1195645743.db2.gz LDXRQAQFQNZTJP-JFIYKMOQSA-N 0 3 380.533 0.591 20 0 GCADHN C[C@H](O)C(=O)N1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000124238315 1195656066 /nfs/dbraw/zinc/65/60/66/1195656066.db2.gz MEHVBSAHBDTALB-SFHVURJKSA-N 0 3 388.512 0.640 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)CC1 ZINC000328758011 1195663528 /nfs/dbraw/zinc/66/35/28/1195663528.db2.gz VLORYBNFLZDLNS-UHFFFAOYSA-N 0 3 394.541 0.493 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@H](O)CN1CCC[C@H]1CN1CCOCC1 ZINC000441429716 1195675910 /nfs/dbraw/zinc/67/59/10/1195675910.db2.gz OQZJFNBWDPXFHY-ZWKOTPCHSA-N 0 3 388.468 0.661 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)Cn2cnc3sccc3c2=O)CC1 ZINC000328944752 1195677808 /nfs/dbraw/zinc/67/78/08/1195677808.db2.gz JJHPQGXNUZQHSN-UHFFFAOYSA-N 0 3 389.481 0.225 20 0 GCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCO[C@@H]3CCN(C)C[C@@H]31)C2=O ZINC000328999908 1195685320 /nfs/dbraw/zinc/68/53/20/1195685320.db2.gz GPDFRJJMBCMRKR-GJRWTSMGSA-N 0 3 378.473 0.623 20 0 GCADHN COCCCNC(=O)C1CCN(C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000520439079 1195686122 /nfs/dbraw/zinc/68/61/22/1195686122.db2.gz KWWRBPIKQGQNBH-UHFFFAOYSA-N 0 3 384.521 0.672 20 0 GCADHN CCN(CC)CC(=O)N1CCN([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000507748303 1195686145 /nfs/dbraw/zinc/68/61/45/1195686145.db2.gz OKCWJMHDKGJVHK-MRXNPFEDSA-N 0 3 396.532 0.273 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000330653316 1195699473 /nfs/dbraw/zinc/69/94/73/1195699473.db2.gz MCSDSSSBYZWBJG-HNNXBMFYSA-N 0 3 398.573 0.947 20 0 GCADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000330736674 1195707543 /nfs/dbraw/zinc/70/75/43/1195707543.db2.gz NJJCPVWKTWGJTL-KRWDZBQOSA-N 0 3 379.482 0.816 20 0 GCADHN COCc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330732906 1195707812 /nfs/dbraw/zinc/70/78/12/1195707812.db2.gz SHNBTZMCMJDRSZ-INIZCTEOSA-N 0 3 381.498 0.760 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000330805891 1195708700 /nfs/dbraw/zinc/70/87/00/1195708700.db2.gz LCNBTYDTGGAPAE-MRXNPFEDSA-N 0 3 383.514 0.761 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000665009221 1195711213 /nfs/dbraw/zinc/71/12/13/1195711213.db2.gz KTZCXKYZLMQOOV-MRXNPFEDSA-N 0 3 397.545 0.546 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)NC(C)(C)CCN2CCN(C)CC2)C1 ZINC000331029721 1195715879 /nfs/dbraw/zinc/71/58/79/1195715879.db2.gz FAHZJZANZFCRLQ-INIZCTEOSA-N 0 3 388.578 0.580 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cn(Cc3cccs3)nn2)CC1 ZINC000608123642 1195732181 /nfs/dbraw/zinc/73/21/81/1195732181.db2.gz DMECWPPQJNZWLI-INIZCTEOSA-N 0 3 388.497 0.942 20 0 GCADHN C[C@@H](COCC(F)(F)F)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000334077094 1195733660 /nfs/dbraw/zinc/73/36/60/1195733660.db2.gz WSNOXSOOXUITHZ-STQMWFEESA-N 0 3 380.411 0.902 20 0 GCADHN CS[C@@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C[C@H]1N(C)C ZINC000536339388 1195740006 /nfs/dbraw/zinc/74/00/06/1195740006.db2.gz XLZYXYVVYXXIPP-ZIAGYGMSSA-N 0 3 390.517 0.240 20 0 GCADHN COC[C@H](CNC(=O)CN1CCC(C)CC1)NC(=O)CN1CCC(C)CC1 ZINC000188944101 1195741530 /nfs/dbraw/zinc/74/15/30/1195741530.db2.gz OXQKKAWKRJSLPI-SFHVURJKSA-N 0 3 382.549 0.698 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000458983905 1195744576 /nfs/dbraw/zinc/74/45/76/1195744576.db2.gz QSWGVWIJEVTKEQ-AEFFLSMTSA-N 0 3 398.529 0.250 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000729497314 1195744947 /nfs/dbraw/zinc/74/49/47/1195744947.db2.gz RKUDXWSELKWYEW-NUJGCVRESA-N 0 3 384.546 0.357 20 0 GCADHN CCN1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1=O ZINC000425407156 1195745160 /nfs/dbraw/zinc/74/51/60/1195745160.db2.gz VEEQPJNFVAJBFF-RBUKOAKNSA-N 0 3 398.507 0.800 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729497160 1195745432 /nfs/dbraw/zinc/74/54/32/1195745432.db2.gz MGCLTHSQYRVGSG-HOTGVXAUSA-N 0 3 388.534 0.353 20 0 GCADHN COc1cccc(OC)c1OC[C@@H](O)CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC000536361501 1195747737 /nfs/dbraw/zinc/74/77/37/1195747737.db2.gz HJYXQWKGIOJUBL-ZDUSSCGKSA-N 0 3 393.440 0.460 20 0 GCADHN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000536360893 1195748209 /nfs/dbraw/zinc/74/82/09/1195748209.db2.gz JFVFHCOEALYOBO-HNNXBMFYSA-N 0 3 390.440 0.401 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000665049369 1195748546 /nfs/dbraw/zinc/74/85/46/1195748546.db2.gz SDXCHKCSPXDVDC-GOEBONIOSA-N 0 3 380.493 0.302 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000729496468 1195750967 /nfs/dbraw/zinc/75/09/67/1195750967.db2.gz SDFMWSKTZFSOQX-IRXDYDNUSA-N 0 3 376.457 0.934 20 0 GCADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000550411669 1195751910 /nfs/dbraw/zinc/75/19/10/1195751910.db2.gz BFZOTPIOUPZXNP-NXHRZFHOSA-N 0 3 377.485 0.586 20 0 GCADHN CC(C)CCn1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)n1 ZINC000189769226 1195753115 /nfs/dbraw/zinc/75/31/15/1195753115.db2.gz BSDILYGRRSZYKC-UHFFFAOYSA-N 0 3 378.521 0.964 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1)Cc1ccccc1 ZINC000550415289 1195757429 /nfs/dbraw/zinc/75/74/29/1195757429.db2.gz JXXBLCFHHUVPBD-WFXMLNOXSA-N 0 3 389.496 0.730 20 0 GCADHN CCCCS(=O)(=O)NCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000536388897 1195757760 /nfs/dbraw/zinc/75/77/60/1195757760.db2.gz OVWDFPNZWDFYGH-UHFFFAOYSA-N 0 3 397.541 0.979 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC000983883197 1195764148 /nfs/dbraw/zinc/76/41/48/1195764148.db2.gz PRAZRSWTEHOPLY-HGTKMLMNSA-N 0 3 393.488 0.202 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC(OCCOC)C3)c2)CC1 ZINC000441500119 1195767716 /nfs/dbraw/zinc/76/77/16/1195767716.db2.gz PWHMBOODZQAKIZ-UHFFFAOYSA-N 0 3 390.484 0.641 20 0 GCADHN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000536431219 1195768837 /nfs/dbraw/zinc/76/88/37/1195768837.db2.gz JWAOPGLBEGURQP-PKOBYXMFSA-N 0 3 385.464 0.862 20 0 GCADHN Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000536431218 1195768977 /nfs/dbraw/zinc/76/89/77/1195768977.db2.gz JWAOPGLBEGURQP-MJGOQNOKSA-N 0 3 385.464 0.862 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000141461729 1195769520 /nfs/dbraw/zinc/76/95/20/1195769520.db2.gz SDACUTXNSGUMSI-QGZVFWFLSA-N 0 3 380.514 0.115 20 0 GCADHN O=C(NCC(F)(F)F)C1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729503453 1195772211 /nfs/dbraw/zinc/77/22/11/1195772211.db2.gz XNKRNDXYJWXFHH-KBPBESRZSA-N 0 3 392.422 0.950 20 0 GCADHN O=C(NCC(F)(F)F)C1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729503467 1195772433 /nfs/dbraw/zinc/77/24/33/1195772433.db2.gz XNKRNDXYJWXFHH-ZIAGYGMSSA-N 0 3 392.422 0.950 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000053052970 1195772997 /nfs/dbraw/zinc/77/29/97/1195772997.db2.gz JRWFXCSTJHTFDD-IAGOWNOFSA-N 0 3 388.578 0.723 20 0 GCADHN COc1cc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1OCCO ZINC000729504678 1195774215 /nfs/dbraw/zinc/77/42/15/1195774215.db2.gz JYFADAKNPKUYCT-HZPDHXFCSA-N 0 3 379.457 0.729 20 0 GCADHN C[C@@]1(NC(=O)NCCOCCS(N)(=O)=O)CCN(Cc2ccccc2)C1 ZINC000665107077 1195781318 /nfs/dbraw/zinc/78/13/18/1195781318.db2.gz KBUYPBMENMUHLQ-QGZVFWFLSA-N 0 3 384.502 0.255 20 0 GCADHN COCCN1CCC(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000332939270 1195782959 /nfs/dbraw/zinc/78/29/59/1195782959.db2.gz FRAKRUFXZXPXSD-ROUUACIJSA-N 0 3 379.501 0.655 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C(=O)N1c1cnn(C)c1 ZINC000655625887 1195784322 /nfs/dbraw/zinc/78/43/22/1195784322.db2.gz MSIWHQLKYIQKQX-YCPHGPKFSA-N 0 3 378.477 0.060 20 0 GCADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1 ZINC000614611675 1195797419 /nfs/dbraw/zinc/79/74/19/1195797419.db2.gz QGVWOZYNQYMHJY-HOCLYGCPSA-N 0 3 384.502 0.330 20 0 GCADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NC(C)(C)CCN2CCN(C)CC2)O1 ZINC000473997606 1195801451 /nfs/dbraw/zinc/80/14/51/1195801451.db2.gz AIBXSLFZKUFTNU-CVEARBPZSA-N 0 3 383.537 0.338 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000520621190 1195804124 /nfs/dbraw/zinc/80/41/24/1195804124.db2.gz XJXYLFHNFVYGAT-STQMWFEESA-N 0 3 392.422 0.504 20 0 GCADHN CCO[C@@H]1COC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000459121876 1195809422 /nfs/dbraw/zinc/80/94/22/1195809422.db2.gz RKHFBNRRPXWTRE-NCXUSEDFSA-N 0 3 377.485 0.973 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCc2ccn(C)n2)c1 ZINC000520652612 1195813904 /nfs/dbraw/zinc/81/39/04/1195813904.db2.gz KFQCATQEBASYFK-UHFFFAOYSA-N 0 3 387.484 0.678 20 0 GCADHN CN(C)S(=O)(=O)c1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)co1 ZINC000184224113 1195818355 /nfs/dbraw/zinc/81/83/55/1195818355.db2.gz FAHIWIUFXBAJQK-UHFFFAOYSA-N 0 3 386.518 0.676 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C2CCN(C(=O)C(C)C)CC2)CC1 ZINC000103449172 1195818563 /nfs/dbraw/zinc/81/85/63/1195818563.db2.gz SXNNJKPFIOIHDS-UHFFFAOYSA-N 0 3 380.533 0.894 20 0 GCADHN COCCN(C)C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000441707850 1195822945 /nfs/dbraw/zinc/82/29/45/1195822945.db2.gz QBSGWYQIQMTINJ-QGZVFWFLSA-N 0 3 390.484 0.896 20 0 GCADHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000520698699 1195825749 /nfs/dbraw/zinc/82/57/49/1195825749.db2.gz SQQLEKJZKGYOPK-SFHVURJKSA-N 0 3 395.463 0.837 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)c1 ZINC000441755903 1195839217 /nfs/dbraw/zinc/83/92/17/1195839217.db2.gz ZOZJGCAFNHSMRA-AWEZNQCLSA-N 0 3 391.390 0.821 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@H]2CC(=O)N(C)C2)c1 ZINC000474011594 1195842086 /nfs/dbraw/zinc/84/20/86/1195842086.db2.gz DNHKKEKXRHHTKH-INIZCTEOSA-N 0 3 378.473 0.674 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1)N(C)C ZINC000441780710 1195845019 /nfs/dbraw/zinc/84/50/19/1195845019.db2.gz XHAHKHAMRDGKAJ-JTQLQIEISA-N 0 3 375.408 0.684 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)nn1 ZINC000441782018 1195846253 /nfs/dbraw/zinc/84/62/53/1195846253.db2.gz AWOKZBDSMKNSFT-UHFFFAOYSA-N 0 3 388.428 0.076 20 0 GCADHN CNC(=O)[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)Cc1ccc(OC)c(F)c1 ZINC000665201607 1195846308 /nfs/dbraw/zinc/84/63/08/1195846308.db2.gz GVKXSRNOMWALSH-BPUTZDHNSA-N 0 3 396.463 0.055 20 0 GCADHN Cc1noc(CCCN2C[C@@H]3CCN(C(=O)[C@H]4C[C@@H](C)CC(=O)N4)[C@@H]3C2)n1 ZINC001075803851 1195852673 /nfs/dbraw/zinc/85/26/73/1195852673.db2.gz HMYWXXLETFUZRQ-SLBVQIDZSA-N 0 3 375.473 0.758 20 0 GCADHN C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000984076797 1195856020 /nfs/dbraw/zinc/85/60/20/1195856020.db2.gz PEWNCGAUAWMQOO-QXSJWSMHSA-N 0 3 378.517 0.583 20 0 GCADHN COC(=O)C1(NC(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)CC1 ZINC000507869207 1195867070 /nfs/dbraw/zinc/86/70/70/1195867070.db2.gz VCHTVWOHQUOGQY-UHFFFAOYSA-N 0 3 376.413 0.315 20 0 GCADHN COC(=O)C1(NC(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)CC1 ZINC000507877098 1195868419 /nfs/dbraw/zinc/86/84/19/1195868419.db2.gz RFTPSENCFZIVNA-UHFFFAOYSA-N 0 3 388.468 0.977 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CC[C@@](O)(C4CC4)C3)cn2)CC1 ZINC000427722861 1195870325 /nfs/dbraw/zinc/87/03/25/1195870325.db2.gz ODHYSBDZNBUDHN-FQEVSTJZSA-N 0 3 388.468 0.867 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1 ZINC000427846302 1195883462 /nfs/dbraw/zinc/88/34/62/1195883462.db2.gz RSJIFBWGVCGLFD-KKSFZXQISA-N 0 3 388.512 0.536 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000508049478 1195890829 /nfs/dbraw/zinc/89/08/29/1195890829.db2.gz GTNSTROCIYLMFA-JKSUJKDBSA-N 0 3 388.512 0.942 20 0 GCADHN CN(CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)S(C)(=O)=O ZINC000371006868 1195900282 /nfs/dbraw/zinc/90/02/82/1195900282.db2.gz HMSPWPAEDQPAPC-INIZCTEOSA-N 0 3 396.513 0.683 20 0 GCADHN COCCS(=O)(=O)c1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000508317214 1195918276 /nfs/dbraw/zinc/91/82/76/1195918276.db2.gz NTYLVSBORQWNFX-UHFFFAOYSA-N 0 3 397.541 0.863 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(=O)[nH]1 ZINC000508349565 1195921460 /nfs/dbraw/zinc/92/14/60/1195921460.db2.gz NOSLYJPZBROQJV-AGUYFDCRSA-N 0 3 389.456 0.234 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000441905166 1195932262 /nfs/dbraw/zinc/93/22/62/1195932262.db2.gz JFOXATOJNHLCJW-UHFFFAOYSA-N 0 3 396.513 0.866 20 0 GCADHN CN(C)c1ncc(NC(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)cn1 ZINC000441910810 1195932317 /nfs/dbraw/zinc/93/23/17/1195932317.db2.gz OYPVNZNYFFHGQC-UHFFFAOYSA-N 0 3 399.455 0.988 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000521101854 1195962378 /nfs/dbraw/zinc/96/23/78/1195962378.db2.gz XDBXXFDPVXMSLY-IAGOWNOFSA-N 0 3 382.549 0.792 20 0 GCADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000521110581 1195963884 /nfs/dbraw/zinc/96/38/84/1195963884.db2.gz PCIWGZYXFITNIV-RBUKOAKNSA-N 0 3 388.512 0.956 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)C1=CCN(C)CC1 ZINC000442340982 1195979183 /nfs/dbraw/zinc/97/91/83/1195979183.db2.gz IQJLKIXRKAGAHE-CQSZACIVSA-N 0 3 388.468 0.859 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)C1=CCN(C)CC1 ZINC000442341698 1195979337 /nfs/dbraw/zinc/97/93/37/1195979337.db2.gz LRIJWBPAEQBRFT-CQSZACIVSA-N 0 3 388.468 0.859 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)C1=CCN(C)CC1 ZINC000442341696 1195979521 /nfs/dbraw/zinc/97/95/21/1195979521.db2.gz LRIJWBPAEQBRFT-AWEZNQCLSA-N 0 3 388.468 0.859 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)O1 ZINC000984140031 1195987116 /nfs/dbraw/zinc/98/71/16/1195987116.db2.gz OBXXMYKRAUKBFH-QHSBEEBCSA-N 0 3 391.472 0.322 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)O1 ZINC000984140031 1195987118 /nfs/dbraw/zinc/98/71/18/1195987118.db2.gz OBXXMYKRAUKBFH-QHSBEEBCSA-N 0 3 391.472 0.322 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000521318932 1195987940 /nfs/dbraw/zinc/98/79/40/1195987940.db2.gz VLYYSVMEFHLMPW-QZTJIDSGSA-N 0 3 394.560 0.794 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC000984141466 1195988563 /nfs/dbraw/zinc/98/85/63/1195988563.db2.gz 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GCADHN CC[C@H](CO)Nc1cc(N[C@H]2CCCN(CCN3CCOCC3)C2)ncn1 ZINC000895164782 1196001880 /nfs/dbraw/zinc/00/18/80/1196001880.db2.gz DBZSVYBXWRJYJS-SJORKVTESA-N 0 3 378.521 0.868 20 0 GCADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000521585895 1196003786 /nfs/dbraw/zinc/00/37/86/1196003786.db2.gz FDJAGRWVOLVZHK-JYYAWHABSA-N 0 3 385.530 0.797 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC3(CCOCC3)[C@H]2C)CC1 ZINC000521596865 1196006090 /nfs/dbraw/zinc/00/60/90/1196006090.db2.gz LTWPSYSAQYRQBM-ZWKOTPCHSA-N 0 3 394.560 0.794 20 0 GCADHN CCN(CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)C1CC1 ZINC000442832961 1196007267 /nfs/dbraw/zinc/00/72/67/1196007267.db2.gz GQOSWYHKRFGGOP-UHFFFAOYSA-N 0 3 379.549 0.168 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)CC1=O ZINC000521638908 1196008009 /nfs/dbraw/zinc/00/80/09/1196008009.db2.gz GYWOPQOSRSWGIJ-CABCVRRESA-N 0 3 377.489 0.135 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000521705023 1196012346 /nfs/dbraw/zinc/01/23/46/1196012346.db2.gz OSLZIHOOODHJHN-OKILXGFUSA-N 0 3 396.513 0.912 20 0 GCADHN COc1ccc(Cl)c(C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)c1 ZINC001271073124 1196012494 /nfs/dbraw/zinc/01/24/94/1196012494.db2.gz APGMMAHIFNVDSP-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN NS(=O)(=O)C1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000442960501 1196013394 /nfs/dbraw/zinc/01/33/94/1196013394.db2.gz BMPMOZBXVOBMNX-UHFFFAOYSA-N 0 3 394.541 0.868 20 0 GCADHN COc1cccc(C[C@H](O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000442966708 1196014060 /nfs/dbraw/zinc/01/40/60/1196014060.db2.gz MZIBYKLQIWWLNK-SFHVURJKSA-N 0 3 375.469 0.365 20 0 GCADHN Cn1nnnc1-c1cccc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000443081169 1196018969 /nfs/dbraw/zinc/01/89/69/1196018969.db2.gz OQUKRNLVRLDXNQ-UHFFFAOYSA-N 0 3 393.517 0.181 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCc4ccc(F)cc43)C2)nn1 ZINC000521844770 1196019461 /nfs/dbraw/zinc/01/94/61/1196019461.db2.gz BXAIIHXYOLMSCD-WBVHZDCISA-N 0 3 386.431 0.843 20 0 GCADHN CCN(C(=O)[C@H](C)N1C[C@@H](c2ccccc2F)[C@H](N)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000521846408 1196019569 /nfs/dbraw/zinc/01/95/69/1196019569.db2.gz TXLSGBYJGFTQSD-JSSFPYSZSA-N 0 3 397.516 0.976 20 0 GCADHN CNC(=O)c1cccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000443112245 1196020368 /nfs/dbraw/zinc/02/03/68/1196020368.db2.gz FPRVZSKIQDULQT-UHFFFAOYSA-N 0 3 375.473 0.127 20 0 GCADHN CCOC(=O)C1CCN(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000443092594 1196020556 /nfs/dbraw/zinc/02/05/56/1196020556.db2.gz JXXDIXGNLCVYRW-UHFFFAOYSA-N 0 3 390.550 0.122 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1(C)C ZINC000443117792 1196020710 /nfs/dbraw/zinc/02/07/10/1196020710.db2.gz NZIXBGMOTZQFIS-UHFFFAOYSA-N 0 3 379.436 0.005 20 0 GCADHN CNC(=O)c1cccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1C ZINC000443115759 1196020860 /nfs/dbraw/zinc/02/08/60/1196020860.db2.gz ZEUTVOPIUIGXIH-UHFFFAOYSA-N 0 3 389.500 0.435 20 0 GCADHN COCCn1nc(C)c(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1C ZINC000443117854 1196020945 /nfs/dbraw/zinc/02/09/45/1196020945.db2.gz GUHMTFZTWNIJCE-UHFFFAOYSA-N 0 3 394.520 0.227 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)NC(C)(CO)CO)CC2)c1 ZINC000521882273 1196022499 /nfs/dbraw/zinc/02/24/99/1196022499.db2.gz CJOXCXYHBNONCI-UHFFFAOYSA-N 0 3 378.517 0.940 20 0 GCADHN CCOC(=O)C1CCN(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)CC1 ZINC000443298294 1196035608 /nfs/dbraw/zinc/03/56/08/1196035608.db2.gz OZAIYDYRZMVBML-MRXNPFEDSA-N 0 3 391.534 0.189 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccc(OC(F)F)c1 ZINC000522015674 1196035797 /nfs/dbraw/zinc/03/57/97/1196035797.db2.gz YYLJWFGLRNFBOW-ZKYQVNSYSA-N 0 3 396.394 0.236 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccc(OC(F)F)c1 ZINC000522015673 1196035811 /nfs/dbraw/zinc/03/58/11/1196035811.db2.gz YYLJWFGLRNFBOW-VHRBIJSZSA-N 0 3 396.394 0.236 20 0 GCADHN COc1ccc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cc1C(N)=O ZINC000443295719 1196036905 /nfs/dbraw/zinc/03/69/05/1196036905.db2.gz OOVZGRCJELHFKJ-ZDUSSCGKSA-N 0 3 385.486 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ZINC000895297343 1196079188 /nfs/dbraw/zinc/07/91/88/1196079188.db2.gz CDWPQQJZAXHAGA-ZWKOTPCHSA-N 0 3 396.532 0.108 20 0 GCADHN CC(C)(CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)[C@@H]1COCC12OCCO2 ZINC000895308500 1196081165 /nfs/dbraw/zinc/08/11/65/1196081165.db2.gz KHDXYZITXXYLGZ-ZACQAIPSSA-N 0 3 397.516 0.643 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000895343045 1196085165 /nfs/dbraw/zinc/08/51/65/1196085165.db2.gz DJIYWCYWJGIHNB-LSDHHAIUSA-N 0 3 391.534 0.377 20 0 GCADHN CCn1c(=O)[nH]c2cc(C(=O)NC[C@@H](C)CN3CCN(C)CC3)ccc2c1=O ZINC000114141145 1196095629 /nfs/dbraw/zinc/09/56/29/1196095629.db2.gz NYJGRYOXYOSDSH-CQSZACIVSA-N 0 3 387.484 0.323 20 0 GCADHN COC(=O)c1cnc(CC2CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)s1 ZINC000895564063 1196101611 /nfs/dbraw/zinc/10/16/11/1196101611.db2.gz RHGXYPHDHJBCCD-UHFFFAOYSA-N 0 3 392.481 0.782 20 0 GCADHN O=C(NCCC1N=NC(=S)N1C1CC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000895676386 1196106668 /nfs/dbraw/zinc/10/66/68/1196106668.db2.gz 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CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(Cl)c1 ZINC000563899259 1196150206 /nfs/dbraw/zinc/15/02/06/1196150206.db2.gz RUTQJQUNZPDVAG-YPMHNXCESA-N 0 3 393.831 0.007 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000474812065 1196151094 /nfs/dbraw/zinc/15/10/94/1196151094.db2.gz XQWBSHYBZZODEG-UHFFFAOYSA-N 0 3 391.516 0.247 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CNC(=O)Cc2ccc(O)cc2)CC1 ZINC000474810324 1196151106 /nfs/dbraw/zinc/15/11/06/1196151106.db2.gz KWFXEMVVLACWBI-UHFFFAOYSA-N 0 3 376.501 0.583 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)COCCNC(=O)c2ccccc2)CC1 ZINC000474808602 1196151739 /nfs/dbraw/zinc/15/17/39/1196151739.db2.gz LPEBDHSRQBOVKJ-UHFFFAOYSA-N 0 3 390.528 0.965 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 ZINC000474822359 1196151884 /nfs/dbraw/zinc/15/18/84/1196151884.db2.gz NDMGHGZPFOHLCQ-UHFFFAOYSA-N 0 3 382.530 0.621 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 ZINC000041640833 1196153226 /nfs/dbraw/zinc/15/32/26/1196153226.db2.gz DPASYGWUWUJIAI-OAHLLOKOSA-N 0 3 390.484 0.862 20 0 GCADHN CN1CC[C@@H]2OCCN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)[C@H]2C1 ZINC000329000357 1196155790 /nfs/dbraw/zinc/15/57/90/1196155790.db2.gz XIUSKIWOJCFZNX-ROUUACIJSA-N 0 3 396.447 0.555 20 0 GCADHN CCN1C[C@H](C)N(CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000329011465 1196156238 /nfs/dbraw/zinc/15/62/38/1196156238.db2.gz DTOIBNFCDZRORK-HRCADAONSA-N 0 3 397.545 0.904 20 0 GCADHN C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CN(C)CCN1C ZINC000896553828 1196162495 /nfs/dbraw/zinc/16/24/95/1196162495.db2.gz BUSVLNSKWQWUAS-SJORKVTESA-N 0 3 397.564 0.680 20 0 GCADHN C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CN(C)CCN1C ZINC000896553825 1196162580 /nfs/dbraw/zinc/16/25/80/1196162580.db2.gz BUSVLNSKWQWUAS-DLBZAZTESA-N 0 3 397.564 0.680 20 0 GCADHN C[C@]1(n2cc(CN3CCN(C[C@@H]4CCOC4)CC3)cn2)CCS(=O)(=O)C1 ZINC000329183181 1196172850 /nfs/dbraw/zinc/17/28/50/1196172850.db2.gz 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C[C@@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000329314645 1196184691 /nfs/dbraw/zinc/18/46/91/1196184691.db2.gz HBKUSFIELXNLIE-YVSFHVDLSA-N 0 3 387.546 0.901 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 ZINC000329379110 1196190557 /nfs/dbraw/zinc/19/05/57/1196190557.db2.gz MUNHEUMIJGJPCL-KGLIPLIRSA-N 0 3 392.422 0.015 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CCCCCC1 ZINC000329384698 1196191486 /nfs/dbraw/zinc/19/14/86/1196191486.db2.gz PNAMENSROHPMGY-DLBZAZTESA-N 0 3 387.546 0.904 20 0 GCADHN CN(C(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@@H]1CCCN(C)C1 ZINC000896688643 1196196468 /nfs/dbraw/zinc/19/64/68/1196196468.db2.gz PEOVZPUURIGIJI-MRXNPFEDSA-N 0 3 375.473 0.155 20 0 GCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC000896689610 1196196964 /nfs/dbraw/zinc/19/69/64/1196196964.db2.gz YLSDSJMPZZAVIL-IAGOWNOFSA-N 0 3 387.484 0.297 20 0 GCADHN COCC[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000522490742 1196209630 /nfs/dbraw/zinc/20/96/30/1196209630.db2.gz XUASBMMITINJOJ-CQSZACIVSA-N 0 3 390.484 0.864 20 0 GCADHN CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000329651812 1196215752 /nfs/dbraw/zinc/21/57/52/1196215752.db2.gz KLWVKFPDRPTYID-HNNXBMFYSA-N 0 3 389.504 0.277 20 0 GCADHN COc1nccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011831 1196217003 /nfs/dbraw/zinc/21/70/03/1196217003.db2.gz GAUOVKYKIORKQM-XLMAVXFVSA-N 0 3 389.500 0.485 20 0 GCADHN Cc1nn(C)cc1CN1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012065 1196217299 /nfs/dbraw/zinc/21/72/99/1196217299.db2.gz QKVCIHQTJTVVRR-SKWUIDRYSA-N 0 3 375.517 0.728 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)CC1 ZINC000329682746 1196221464 /nfs/dbraw/zinc/22/14/64/1196221464.db2.gz SQDVPJYQZDNFOV-QGZVFWFLSA-N 0 3 388.468 0.630 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C3CC3)n2C[C@@H]2CCOC2)CC1 ZINC000329697591 1196223090 /nfs/dbraw/zinc/22/30/90/1196223090.db2.gz CIXWEGRWLNUAMW-DOTOQJQBSA-N 0 3 388.516 0.935 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(CC)CC)C2)N1CCCC1=O ZINC001719897971 1196224647 /nfs/dbraw/zinc/22/46/47/1196224647.db2.gz PTNAHEBMQDANRF-NCOADZHNSA-N 0 3 378.517 0.977 20 0 GCADHN C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)n1nnnc1C(C)(C)C ZINC000329852136 1196234615 /nfs/dbraw/zinc/23/46/15/1196234615.db2.gz RGVRSEWCOACMKX-UONOGXRCSA-N 0 3 377.493 0.297 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c([C@@H]2CCOC2)n1 ZINC000329865021 1196234956 /nfs/dbraw/zinc/23/49/56/1196234956.db2.gz TWGZAKWRRBADCJ-GDBMZVCRSA-N 0 3 375.473 0.303 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c([C@H]2CCOC2)n1 ZINC000329875657 1196235867 /nfs/dbraw/zinc/23/58/67/1196235867.db2.gz GWUSRIXFOCFZPB-HNNXBMFYSA-N 0 3 375.473 0.304 20 0 GCADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000330030058 1196247522 /nfs/dbraw/zinc/24/75/22/1196247522.db2.gz QZUMYTYPTRRJPB-DNVCBOLYSA-N 0 3 392.500 0.893 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC000984944368 1196248878 /nfs/dbraw/zinc/24/88/78/1196248878.db2.gz LXASPTGUGZPPPM-APIJFGDWSA-N 0 3 375.473 0.940 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)c1c(C)nc[n-]c1=O ZINC000984944368 1196248880 /nfs/dbraw/zinc/24/88/80/1196248880.db2.gz LXASPTGUGZPPPM-APIJFGDWSA-N 0 3 375.473 0.940 20 0 GCADHN O=S(=O)(NC1CCCC1)C1CN(C[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000330116965 1196254095 /nfs/dbraw/zinc/25/40/95/1196254095.db2.gz WGGRVTCYIHFGMJ-IBGZPJMESA-N 0 3 393.553 0.952 20 0 GCADHN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330132745 1196255284 /nfs/dbraw/zinc/25/52/84/1196255284.db2.gz QQFBFPTWAVTVSH-DLBZAZTESA-N 0 3 378.517 0.789 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000330198566 1196259100 /nfs/dbraw/zinc/25/91/00/1196259100.db2.gz UGGSJXRJUBOSKH-INIZCTEOSA-N 0 3 378.517 0.252 20 0 GCADHN CN(C(=O)[C@H]1CCCN1C1CC1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000330239351 1196261218 /nfs/dbraw/zinc/26/12/18/1196261218.db2.gz VMWHLBHAVFTPJT-LJQANCHMSA-N 0 3 391.560 0.310 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000280893033 1196265898 /nfs/dbraw/zinc/26/58/98/1196265898.db2.gz MKEQHUUPDBTXOM-JXFKEZNVSA-N 0 3 378.517 0.298 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)CN(CCC(N)=O)Cc2ccccc2)C1 ZINC000281088014 1196274658 /nfs/dbraw/zinc/27/46/58/1196274658.db2.gz VVGOLMXRDQUXJB-IBGZPJMESA-N 0 3 390.528 0.837 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)CN(CCC(N)=O)Cc2ccccc2)C1 ZINC000281088016 1196275027 /nfs/dbraw/zinc/27/50/27/1196275027.db2.gz VVGOLMXRDQUXJB-LJQANCHMSA-N 0 3 390.528 0.837 20 0 GCADHN CCN1CCN(CCC(=O)Nc2ccc(OCC(=O)NC(N)=O)cc2C)CC1 ZINC000281131817 1196279104 /nfs/dbraw/zinc/27/91/04/1196279104.db2.gz XTJFERNQTXJDGV-UHFFFAOYSA-N 0 3 391.472 0.535 20 0 GCADHN CC(=O)N1CCC(NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 ZINC000330327356 1196284783 /nfs/dbraw/zinc/28/47/83/1196284783.db2.gz VNVWLWSBIXECNW-UHFFFAOYSA-N 0 3 395.481 0.431 20 0 GCADHN CNC(=O)[C@]1(C)CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000281291162 1196287934 /nfs/dbraw/zinc/28/79/34/1196287934.db2.gz WQJZXSBFFRQFKJ-HXUWFJFHSA-N 0 3 387.484 0.821 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCCN2C(=O)Cn2cc(Br)cn2)C1=O ZINC001271257890 1196289080 /nfs/dbraw/zinc/28/90/80/1196289080.db2.gz FENCLVNHDQVEMG-INIZCTEOSA-N 0 3 398.305 0.801 20 0 GCADHN CCOc1ccc(S(=O)(=O)NCC(=O)N2CCCN(C)CC2)cc1OCC ZINC000281620251 1196315486 /nfs/dbraw/zinc/31/54/86/1196315486.db2.gz UBPRVJXKTPUSDC-UHFFFAOYSA-N 0 3 399.513 0.926 20 0 GCADHN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)OCO2 ZINC000281620541 1196316170 /nfs/dbraw/zinc/31/61/70/1196316170.db2.gz ZYZLBUIJKJUETN-CQSZACIVSA-N 0 3 395.481 0.651 20 0 GCADHN CCn1c(=O)[nH]c2cc(C(=O)NCCN3CCN(C)C(C)(C)C3)ccc2c1=O ZINC000281648693 1196318545 /nfs/dbraw/zinc/31/85/45/1196318545.db2.gz BHOVPTJHTFUCNW-UHFFFAOYSA-N 0 3 387.484 0.878 20 0 GCADHN CN1CCN(CCNC(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1(C)C ZINC000281684833 1196322361 /nfs/dbraw/zinc/32/23/61/1196322361.db2.gz FOVKCBDSCPZYHK-UHFFFAOYSA-N 0 3 390.532 0.698 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CN1C1CC1 ZINC000281702192 1196324049 /nfs/dbraw/zinc/32/40/49/1196324049.db2.gz WAWJILOBCBBSTK-UKRRQHHQSA-N 0 3 381.498 0.654 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CN1C1CC1 ZINC000281702186 1196324094 /nfs/dbraw/zinc/32/40/94/1196324094.db2.gz WAWJILOBCBBSTK-HIFRSBDPSA-N 0 3 381.498 0.654 20 0 GCADHN CNS(=O)(=O)c1ccc(CCC(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281723126 1196325890 /nfs/dbraw/zinc/32/58/90/1196325890.db2.gz ISFJHYOBBGZWBQ-UHFFFAOYSA-N 0 3 396.557 0.670 20 0 GCADHN CN1CCN(CCNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1(C)C ZINC000281749360 1196330221 /nfs/dbraw/zinc/33/02/21/1196330221.db2.gz KPOMNIHZMKXTSO-HZPDHXFCSA-N 0 3 375.473 0.099 20 0 GCADHN CN1CCN(CCNC(=O)Cc2csc(N3CCCC3=O)n2)CC1(C)C ZINC000281766686 1196331005 /nfs/dbraw/zinc/33/10/05/1196331005.db2.gz LVRDEUWWDRVCQH-UHFFFAOYSA-N 0 3 379.530 0.955 20 0 GCADHN CN1CCN(CCNC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000281796749 1196332843 /nfs/dbraw/zinc/33/28/43/1196332843.db2.gz KEOOGQFKNIRYKZ-UHFFFAOYSA-N 0 3 382.530 0.915 20 0 GCADHN CNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281786757 1196333898 /nfs/dbraw/zinc/33/38/98/1196333898.db2.gz BVIBFKZHCUSOIQ-UHFFFAOYSA-N 0 3 389.500 0.435 20 0 GCADHN CN1CCN(CCNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1(C)C ZINC000281811967 1196334930 /nfs/dbraw/zinc/33/49/30/1196334930.db2.gz QDRGQONHOQJBRY-UHFFFAOYSA-N 0 3 387.484 0.494 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1(C)C ZINC000281847928 1196340257 /nfs/dbraw/zinc/34/02/57/1196340257.db2.gz FYQRALDJTOBQGG-UHFFFAOYSA-N 0 3 387.484 0.504 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cn1 ZINC000281850320 1196341051 /nfs/dbraw/zinc/34/10/51/1196341051.db2.gz GCKYHKXZCMMRPU-UHFFFAOYSA-N 0 3 393.488 0.188 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)nc1 ZINC000281913853 1196347052 /nfs/dbraw/zinc/34/70/52/1196347052.db2.gz SHDWAOCODZJUAD-UHFFFAOYSA-N 0 3 384.506 0.137 20 0 GCADHN Cc1nc(CC(=O)N2CCOC[C@@]3(CC(=O)N(CCN(C)C)C3)C2)cs1 ZINC001271389893 1196348872 /nfs/dbraw/zinc/34/88/72/1196348872.db2.gz AEGNEZYMHYIHLH-GOSISDBHSA-N 0 3 380.514 0.633 20 0 GCADHN CN1CCN(CCNC(=O)NC[C@H](O)COc2ccc(F)cc2)CC1(C)C ZINC000281950319 1196351401 /nfs/dbraw/zinc/35/14/01/1196351401.db2.gz MAHRSSOMTCAFEL-INIZCTEOSA-N 0 3 382.480 0.891 20 0 GCADHN CN1CCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C2(CCCCC2)C1 ZINC000639510928 1196354964 /nfs/dbraw/zinc/35/49/64/1196354964.db2.gz GXXAWXINYUAVDP-UHFFFAOYSA-N 0 3 386.562 0.477 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)C1(C)C ZINC000444167899 1196355253 /nfs/dbraw/zinc/35/52/53/1196355253.db2.gz MSTAOLHGFMJZLL-YRNRMSPPSA-N 0 3 398.548 0.204 20 0 GCADHN Cc1nc(C)c(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)o1 ZINC001088104719 1196359792 /nfs/dbraw/zinc/35/97/92/1196359792.db2.gz XGTPUEDCLHXECM-FXUDXRNXSA-N 0 3 376.457 0.605 20 0 GCADHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000444205529 1196362462 /nfs/dbraw/zinc/36/24/62/1196362462.db2.gz MTCHXOSPKPMYPT-UHFFFAOYSA-N 0 3 393.517 0.309 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000670984851 1196368030 /nfs/dbraw/zinc/36/80/30/1196368030.db2.gz SUACIDFMWPXYPW-NWDGAFQWSA-N 0 3 378.395 0.114 20 0 GCADHN C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150487 1196373979 /nfs/dbraw/zinc/37/39/79/1196373979.db2.gz GLHMYHUXINDPDK-OALUTQOASA-N 0 3 394.560 0.938 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000103168847 1196374090 /nfs/dbraw/zinc/37/40/90/1196374090.db2.gz SDMFHYRLVUUWMM-SFHVURJKSA-N 0 3 379.476 0.943 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(C)nc3c2c(=O)[nH]n3C)CC1 ZINC000103449089 1196375805 /nfs/dbraw/zinc/37/58/05/1196375805.db2.gz RSLDVWCSMVCUCQ-UHFFFAOYSA-N 0 3 388.472 0.196 20 0 GCADHN CC(C)[C@H](CNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(C)CC1 ZINC000042579089 1196376087 /nfs/dbraw/zinc/37/60/87/1196376087.db2.gz UCDFFIYHZHASCK-BZSNNMDCSA-N 0 3 392.544 0.940 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000103492324 1196376690 /nfs/dbraw/zinc/37/66/90/1196376690.db2.gz QZMRYLJDJVYXCD-GOSISDBHSA-N 0 3 388.512 0.592 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000523003954 1196382623 /nfs/dbraw/zinc/38/26/23/1196382623.db2.gz NFVDJEQMLPYTSD-DLBZAZTESA-N 0 3 395.548 0.972 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)CC1 ZINC000897023530 1196384051 /nfs/dbraw/zinc/38/40/51/1196384051.db2.gz VSEMJABNZYOLAT-BBWFWOEESA-N 0 3 395.500 0.452 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)CC1 ZINC000897023536 1196384298 /nfs/dbraw/zinc/38/42/98/1196384298.db2.gz VSEMJABNZYOLAT-ZACQAIPSSA-N 0 3 395.500 0.452 20 0 GCADHN CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475157904 1196385917 /nfs/dbraw/zinc/38/59/17/1196385917.db2.gz SHUDCCKAXBHACG-IAGOWNOFSA-N 0 3 382.530 0.419 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000897052115 1196386221 /nfs/dbraw/zinc/38/62/21/1196386221.db2.gz IGOFUIMBMFXCLL-QGZVFWFLSA-N 0 3 383.514 0.508 20 0 GCADHN Cn1cnc2cc(S(=O)(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)ccc21 ZINC000532562179 1196386998 /nfs/dbraw/zinc/38/69/98/1196386998.db2.gz PEXJJQYBUNZBSJ-QGZVFWFLSA-N 0 3 391.497 0.500 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000665596709 1196390201 /nfs/dbraw/zinc/39/02/01/1196390201.db2.gz WUNKANJZXOMUMA-UHFFFAOYSA-N 0 3 377.489 0.801 20 0 GCADHN O=C(NCCCn1cnc2ccccc21)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000785409941 1196394412 /nfs/dbraw/zinc/39/44/12/1196394412.db2.gz AOIAFYJXELGILQ-HZPDHXFCSA-N 0 3 385.468 0.522 20 0 GCADHN CC(C)Cn1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000475261149 1196399590 /nfs/dbraw/zinc/39/95/90/1196399590.db2.gz DQFDCDKODGKHJK-UHFFFAOYSA-N 0 3 390.488 0.244 20 0 GCADHN COC(=O)N1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000728715239 1196413181 /nfs/dbraw/zinc/41/31/81/1196413181.db2.gz RPAATYANWFJGKG-UHFFFAOYSA-N 0 3 381.477 0.167 20 0 GCADHN C[C@@H]1C[C@@H](CN2CCN3[C@@H](CNS3(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC000897277384 1196426791 /nfs/dbraw/zinc/42/67/91/1196426791.db2.gz GXUMSVFJDCNUEC-ILXRZTDVSA-N 0 3 388.534 0.856 20 0 GCADHN COc1cc(F)ccc1NC(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000523047877 1196436555 /nfs/dbraw/zinc/43/65/55/1196436555.db2.gz YMESYEKUVOBWNV-UHFFFAOYSA-N 0 3 396.463 0.279 20 0 GCADHN CCCN1CCN(c2ccccc2CN2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC000897283150 1196439588 /nfs/dbraw/zinc/43/95/88/1196439588.db2.gz DXXRAPJWJOCXEU-GOSISDBHSA-N 0 3 393.557 0.553 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000282004430 1196445736 /nfs/dbraw/zinc/44/57/36/1196445736.db2.gz NODQRHWGPWJYKY-UHFFFAOYSA-N 0 3 388.516 0.763 20 0 GCADHN CCCC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000103121662 1196449255 /nfs/dbraw/zinc/44/92/55/1196449255.db2.gz WJRNUUJKDHFGSG-KRWDZBQOSA-N 0 3 378.517 0.792 20 0 GCADHN O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652900805 1196462100 /nfs/dbraw/zinc/46/21/00/1196462100.db2.gz BYVDCPCDIMLQQA-IBGZPJMESA-N 0 3 384.484 0.647 20 0 GCADHN Cc1nn(C)c2nc(C)c(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc12 ZINC000487496780 1196467946 /nfs/dbraw/zinc/46/79/46/1196467946.db2.gz ASAVZEGHPZTFGT-UHFFFAOYSA-N 0 3 384.484 0.965 20 0 GCADHN CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000523115501 1196479034 /nfs/dbraw/zinc/47/90/34/1196479034.db2.gz LWSNCZYOEBRNDS-LJQANCHMSA-N 0 3 392.456 0.618 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000985506212 1196486045 /nfs/dbraw/zinc/48/60/45/1196486045.db2.gz PWZCJUATJUFLLJ-VVLHAWIVSA-N 0 3 392.544 0.938 20 0 GCADHN CN(C)[C@@H](CNC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)Cc1ccccc1 ZINC000029508640 1196487871 /nfs/dbraw/zinc/48/78/71/1196487871.db2.gz ABWHHQCAYDNZFW-OAHLLOKOSA-N 0 3 382.468 0.878 20 0 GCADHN CC(C)[C@H](CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)N1CCOCC1 ZINC000523208165 1196502708 /nfs/dbraw/zinc/50/27/08/1196502708.db2.gz NWIOXLDSCWFYHA-ROUUACIJSA-N 0 3 397.564 0.585 20 0 GCADHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000444675058 1196513797 /nfs/dbraw/zinc/51/37/97/1196513797.db2.gz QOJWVFBGAOHIOD-NVXWUHKLSA-N 0 3 390.484 0.641 20 0 GCADHN C[C@@H]1CN(C(=O)CN(C)C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CCO1 ZINC000985551006 1196514608 /nfs/dbraw/zinc/51/46/08/1196514608.db2.gz ODFBAIGUBQJWQD-BIPCAJJSSA-N 0 3 391.512 0.580 20 0 GCADHN Cn1cc([C@@H]2CN(C[C@H](O)Cn3c(=O)onc3-c3ccccc3)C[C@H]2CO)cn1 ZINC000444745961 1196519024 /nfs/dbraw/zinc/51/90/24/1196519024.db2.gz BAFRZRFOTRAKGP-BZSNNMDCSA-N 0 3 399.451 0.306 20 0 GCADHN O=C(CN(CCO)C1CCOCC1)NCc1ccccc1CN1CCOCC1 ZINC000444767788 1196520463 /nfs/dbraw/zinc/52/04/63/1196520463.db2.gz AGUUMSBYBCMCAC-UHFFFAOYSA-N 0 3 391.512 0.608 20 0 GCADHN Cn1c(C(=O)N[C@@H](CO)CN2CCCCC2)cc2c1nc1ccccn1c2=O ZINC000665885258 1196521024 /nfs/dbraw/zinc/52/10/24/1196521024.db2.gz ZSTUPHJDYXLLNQ-CQSZACIVSA-N 0 3 383.452 0.763 20 0 GCADHN CCOC(=O)c1nnc(C2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)[n-]1 ZINC000444808714 1196522795 /nfs/dbraw/zinc/52/27/95/1196522795.db2.gz VCXNRVPJCZPEFA-AWEZNQCLSA-N 0 3 382.461 0.717 20 0 GCADHN C[C@@H](CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000523431145 1196523457 /nfs/dbraw/zinc/52/34/57/1196523457.db2.gz YGRWQSLDRMQCGJ-DLBZAZTESA-N 0 3 383.537 0.197 20 0 GCADHN C[C@H](CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000523431146 1196523601 /nfs/dbraw/zinc/52/36/01/1196523601.db2.gz YGRWQSLDRMQCGJ-IAGOWNOFSA-N 0 3 383.537 0.197 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)ccc1OC ZINC000523565937 1196533390 /nfs/dbraw/zinc/53/33/90/1196533390.db2.gz GWXUYQPLVDMZNI-UHFFFAOYSA-N 0 3 387.502 0.596 20 0 GCADHN CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NC[C@@H](C)N(C)C)CC1 ZINC000445015125 1196536126 /nfs/dbraw/zinc/53/61/26/1196536126.db2.gz BWFYGINERMATFU-OAHLLOKOSA-N 0 3 389.500 0.356 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523626767 1196537854 /nfs/dbraw/zinc/53/78/54/1196537854.db2.gz QJHUPPUKBZSREX-ROUUACIJSA-N 0 3 397.564 0.585 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H](CO)Cc1ccco1 ZINC000523627745 1196538023 /nfs/dbraw/zinc/53/80/23/1196538023.db2.gz KIIRYGCZRFRENE-DOTOQJQBSA-N 0 3 380.489 0.673 20 0 GCADHN CCNC(=O)C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC1 ZINC000487509157 1196546383 /nfs/dbraw/zinc/54/63/83/1196546383.db2.gz DLUXAHOCRKCMJM-UHFFFAOYSA-N 0 3 379.505 0.242 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000445090876 1196547207 /nfs/dbraw/zinc/54/72/07/1196547207.db2.gz JXOZDJRABXSIHT-NSHDSACASA-N 0 3 391.394 0.947 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cnc2n(c1=O)CCS2 ZINC000523707223 1196548545 /nfs/dbraw/zinc/54/85/45/1196548545.db2.gz GDPREPLESKSBHE-UHFFFAOYSA-N 0 3 382.486 0.695 20 0 GCADHN CC(C)C(=O)NC1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523915402 1196566478 /nfs/dbraw/zinc/56/64/78/1196566478.db2.gz CEKFRCMTWIQVAI-KRWDZBQOSA-N 0 3 395.548 0.875 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000524419236 1196593437 /nfs/dbraw/zinc/59/34/37/1196593437.db2.gz VHMZTYDZYSLCKY-AWEZNQCLSA-N 0 3 382.530 0.516 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000524419237 1196593718 /nfs/dbraw/zinc/59/37/18/1196593718.db2.gz VHMZTYDZYSLCKY-CQSZACIVSA-N 0 3 382.530 0.516 20 0 GCADHN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000524467917 1196597841 /nfs/dbraw/zinc/59/78/41/1196597841.db2.gz YOEBFRHVJKIAHI-IRXDYDNUSA-N 0 3 377.533 0.951 20 0 GCADHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000445892927 1196597929 /nfs/dbraw/zinc/59/79/29/1196597929.db2.gz GHLLFQVEXCDEQE-UONOGXRCSA-N 0 3 399.479 0.884 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000445918054 1196598966 /nfs/dbraw/zinc/59/89/66/1196598966.db2.gz ZPDNDMPMJJLBFP-UHFFFAOYSA-N 0 3 393.469 0.234 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000445919966 1196599068 /nfs/dbraw/zinc/59/90/68/1196599068.db2.gz OZGNAVTYIXJEGO-UHFFFAOYSA-N 0 3 386.449 0.324 20 0 GCADHN C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1)n1cncn1 ZINC000445932930 1196600832 /nfs/dbraw/zinc/60/08/32/1196600832.db2.gz RRRXOTJEGDLCAP-CYBMUJFWSA-N 0 3 387.444 0.436 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1)Cc1ccccc1 ZINC000897344301 1196601018 /nfs/dbraw/zinc/60/10/18/1196601018.db2.gz NFXHJEZIZNQMCR-ROUUACIJSA-N 0 3 386.496 0.403 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)[C@@H]1CCCOC1 ZINC000897344266 1196601290 /nfs/dbraw/zinc/60/12/90/1196601290.db2.gz MKFALUXIJZLNOJ-QRVBRYPASA-N 0 3 391.512 0.833 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000445936303 1196601891 /nfs/dbraw/zinc/60/18/91/1196601891.db2.gz ZEBHKFLYFMNJDF-MRXNPFEDSA-N 0 3 391.472 0.946 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000524703930 1196616419 /nfs/dbraw/zinc/61/64/19/1196616419.db2.gz VIXNJTNNSCUUAU-LJQANCHMSA-N 0 3 380.489 0.962 20 0 GCADHN O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000524719037 1196619374 /nfs/dbraw/zinc/61/93/74/1196619374.db2.gz QFTOGORJOUTRJA-TWOQFEAHSA-N 0 3 385.468 0.788 20 0 GCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](C)N1CCCC1)CC2 ZINC000524751339 1196619918 /nfs/dbraw/zinc/61/99/18/1196619918.db2.gz HJQJBIZTLSMMDC-CYBMUJFWSA-N 0 3 394.497 0.084 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cc(N2CCCC2)ccn1 ZINC000446227482 1196624991 /nfs/dbraw/zinc/62/49/91/1196624991.db2.gz OBQXZLQKTVWQDP-UHFFFAOYSA-N 0 3 375.517 0.802 20 0 GCADHN CC(C)Cn1c(-c2ncon2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000909635215 1196627150 /nfs/dbraw/zinc/62/71/50/1196627150.db2.gz NCIPWJZCUNZNDC-CQSZACIVSA-N 0 3 388.476 0.727 20 0 GCADHN CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000524804994 1196628509 /nfs/dbraw/zinc/62/85/09/1196628509.db2.gz OLHSERQLCKGZRX-OAHLLOKOSA-N 0 3 389.500 0.973 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000446286089 1196630379 /nfs/dbraw/zinc/63/03/79/1196630379.db2.gz BBUYGHZSUBCNFE-VPWXQRGCSA-N 0 3 378.517 0.286 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000446279932 1196630505 /nfs/dbraw/zinc/63/05/05/1196630505.db2.gz GCZGTBKEFNPCLX-HGHGUNKESA-N 0 3 392.544 0.676 20 0 GCADHN O=C(NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@H]1C[C@H](F)CN1 ZINC000446337624 1196635725 /nfs/dbraw/zinc/63/57/25/1196635725.db2.gz SKWXSPSNKINCBQ-QEORTHHSSA-N 0 3 377.416 0.634 20 0 GCADHN CCc1nc(CN2CCN(C(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)CC2)no1 ZINC000446360130 1196637359 /nfs/dbraw/zinc/63/73/59/1196637359.db2.gz PAOVEVOJSKNULG-VVFCZOMOSA-N 0 3 377.489 0.809 20 0 GCADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446361916 1196637439 /nfs/dbraw/zinc/63/74/39/1196637439.db2.gz DIJAHUQZTHUMCG-BZLDKRAPSA-N 0 3 392.544 0.674 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000446377460 1196638970 /nfs/dbraw/zinc/63/89/70/1196638970.db2.gz RWTIBINZVZWJRL-NRXGSXMXSA-N 0 3 385.472 0.305 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000446375718 1196640123 /nfs/dbraw/zinc/64/01/23/1196640123.db2.gz AKJXXOLEMJKSBI-MUKKUYKPSA-N 0 3 377.489 0.420 20 0 GCADHN O=C(NCCCN1C(=O)CCC1=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000524997326 1196642183 /nfs/dbraw/zinc/64/21/83/1196642183.db2.gz ZMBKKKNWGOOQGK-HXUWFJFHSA-N 0 3 388.468 0.462 20 0 GCADHN O=C(NCCCN1C(=O)CCC1=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000524997325 1196642265 /nfs/dbraw/zinc/64/22/65/1196642265.db2.gz ZMBKKKNWGOOQGK-FQEVSTJZSA-N 0 3 388.468 0.462 20 0 GCADHN COc1ccc(CNC(=O)CN2CC[C@H](CN3CCOCC3)C2)cc1OC ZINC000525121578 1196651075 /nfs/dbraw/zinc/65/10/75/1196651075.db2.gz TUSOCMLNFXFIRU-QGZVFWFLSA-N 0 3 377.485 0.974 20 0 GCADHN CCN(CC(=O)NC(C)C)C(=O)CN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000525267538 1196662370 /nfs/dbraw/zinc/66/23/70/1196662370.db2.gz YJEHSDHIRBLRIK-GOSISDBHSA-N 0 3 381.565 0.460 20 0 GCADHN CCN(CC(=O)NC(C)C)C(=O)CN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000525267539 1196662615 /nfs/dbraw/zinc/66/26/15/1196662615.db2.gz YJEHSDHIRBLRIK-SFHVURJKSA-N 0 3 381.565 0.460 20 0 GCADHN COCCN1CC[C@H](NC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000525280696 1196663238 /nfs/dbraw/zinc/66/32/38/1196663238.db2.gz USGOOVMZSQIIJH-HNNXBMFYSA-N 0 3 378.473 0.532 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000446751910 1196664700 /nfs/dbraw/zinc/66/47/00/1196664700.db2.gz NCUJQDYYAQASKF-UHFFFAOYSA-N 0 3 399.473 0.460 20 0 GCADHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000525304018 1196666186 /nfs/dbraw/zinc/66/61/86/1196666186.db2.gz ISMLDRTXKRQKMO-CYBMUJFWSA-N 0 3 383.474 0.068 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000525277540 1196666244 /nfs/dbraw/zinc/66/62/44/1196666244.db2.gz RYCQOOZBRNAKPW-HXUWFJFHSA-N 0 3 388.468 0.824 20 0 GCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000525313440 1196668385 /nfs/dbraw/zinc/66/83/85/1196668385.db2.gz UOIYHFUFAGUWTA-RDTXWAMCSA-N 0 3 397.479 0.889 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000525320392 1196672228 /nfs/dbraw/zinc/67/22/28/1196672228.db2.gz YKRLWTBUMJQGMY-GOSISDBHSA-N 0 3 390.484 0.547 20 0 GCADHN CNC(=O)Cn1cc(NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)cn1 ZINC000446827551 1196676069 /nfs/dbraw/zinc/67/60/69/1196676069.db2.gz UXWRIZYGMHHZQO-UHFFFAOYSA-N 0 3 392.485 0.220 20 0 GCADHN CCOC(=O)C(C)(C)C(=O)N1C[C@@]2(F)C(=O)N(CCN(C)C)C[C@@]2(F)C1 ZINC001271864305 1196679387 /nfs/dbraw/zinc/67/93/87/1196679387.db2.gz IDMQKMZRDXQUHD-IAGOWNOFSA-N 0 3 375.416 0.238 20 0 GCADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCCN1C(N)=O ZINC001719903803 1196681875 /nfs/dbraw/zinc/68/18/75/1196681875.db2.gz HWVCRPGBXPJGJL-LVQVYYBASA-N 0 3 379.505 0.508 20 0 GCADHN Cc1oc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000446922422 1196683009 /nfs/dbraw/zinc/68/30/09/1196683009.db2.gz YJDLMAIMCQEDMO-GOSISDBHSA-N 0 3 393.465 0.602 20 0 GCADHN COCCN1CC[C@H](NC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)C1 ZINC000525506346 1196686307 /nfs/dbraw/zinc/68/63/07/1196686307.db2.gz SWBXTAYRHLTYNS-AWEZNQCLSA-N 0 3 375.429 0.927 20 0 GCADHN Cc1cc(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1S(N)(=O)=O ZINC000447002393 1196687955 /nfs/dbraw/zinc/68/79/55/1196687955.db2.gz AKRZRXHSKGPNLL-INIZCTEOSA-N 0 3 398.529 0.895 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000447075638 1196691565 /nfs/dbraw/zinc/69/15/65/1196691565.db2.gz GQMUMXOOLBMFNR-UHFFFAOYSA-N 0 3 390.488 1.404 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000509641402 1196693656 /nfs/dbraw/zinc/69/36/56/1196693656.db2.gz PWJZKJFSSYTVDO-UHFFFAOYSA-N 0 3 383.537 0.293 20 0 GCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)NC3(CO)CCC3)c2)CC1 ZINC000447278021 1196704838 /nfs/dbraw/zinc/70/48/38/1196704838.db2.gz LCTHUZHCVQZAKO-UHFFFAOYSA-N 0 3 388.468 0.354 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000428478767 1196705867 /nfs/dbraw/zinc/70/58/67/1196705867.db2.gz HHSOBALAGQUEFD-RDJZCZTQSA-N 0 3 397.545 0.954 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000428478768 1196706199 /nfs/dbraw/zinc/70/61/99/1196706199.db2.gz HHSOBALAGQUEFD-WBVHZDCISA-N 0 3 397.545 0.954 20 0 GCADHN FC(F)(F)COCCn1nnnc1CN1CCN(CC2CCOCC2)CC1 ZINC000447351414 1196710819 /nfs/dbraw/zinc/71/08/19/1196710819.db2.gz PHAZOAQRXHDRFA-UHFFFAOYSA-N 0 3 392.426 0.796 20 0 GCADHN CC[C@H]1CN(Cc2nnnn2CCOCC(F)(F)F)CCN1C[C@@H](C)O ZINC000447341072 1196712175 /nfs/dbraw/zinc/71/21/75/1196712175.db2.gz CXZZZABOOMTATB-OLZOCXBDSA-N 0 3 380.415 0.529 20 0 GCADHN CC[C@@H]1CN(Cc2nnnn2CCOCC(F)(F)F)CCN1C[C@H](C)O ZINC000447341074 1196712342 /nfs/dbraw/zinc/71/23/42/1196712342.db2.gz CXZZZABOOMTATB-QWHCGFSZSA-N 0 3 380.415 0.529 20 0 GCADHN COCC[C@]1(NCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000447382188 1196714328 /nfs/dbraw/zinc/71/43/28/1196714328.db2.gz IGOVJTLCNRFMCR-WMZOPIPTSA-N 0 3 388.530 0.730 20 0 GCADHN Cc1nc2cc(NC(=O)C(=O)N(C)CCCN3CCN(C)CC3)ccc2n1C ZINC000525896420 1196724501 /nfs/dbraw/zinc/72/45/01/1196724501.db2.gz XCRWLTZEYQJLCY-UHFFFAOYSA-N 0 3 386.500 0.916 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000526048857 1196735008 /nfs/dbraw/zinc/73/50/08/1196735008.db2.gz YYZMPYZPDXCSRS-UHFFFAOYSA-N 0 3 389.500 0.637 20 0 GCADHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000447758729 1196745804 /nfs/dbraw/zinc/74/58/04/1196745804.db2.gz NMZYYJDLDGSCOU-OAQYLSRUSA-N 0 3 399.495 0.789 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)c(OC)c1 ZINC000526945215 1196750134 /nfs/dbraw/zinc/75/01/34/1196750134.db2.gz AKFPVSGEONHPOG-UHFFFAOYSA-N 0 3 387.502 0.596 20 0 GCADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000447793209 1196750347 /nfs/dbraw/zinc/75/03/47/1196750347.db2.gz DWLSWMOBYZOBIR-CABCVRRESA-N 0 3 391.534 0.532 20 0 GCADHN O=C(CN[C@H](CO)[C@@H]1CCCO1)NCc1ccccc1CN1CCOCC1 ZINC000447908907 1196756671 /nfs/dbraw/zinc/75/66/71/1196756671.db2.gz AVTRATORSYEKFH-MOPGFXCFSA-N 0 3 377.485 0.265 20 0 GCADHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN[C@H](CO)[C@H]2CCCO2)CC1 ZINC000447910904 1196757018 /nfs/dbraw/zinc/75/70/18/1196757018.db2.gz GNVNPGVDTPBMGF-RTBURBONSA-N 0 3 389.496 0.845 20 0 GCADHN C[C@@H](NC(=O)[C@H](C)N[C@H](CO)[C@H]1CCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000447911907 1196757377 /nfs/dbraw/zinc/75/73/77/1196757377.db2.gz IUUGDXYIMVSGMQ-NOXHYTERSA-N 0 3 385.486 0.029 20 0 GCADHN C[C@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)C[C@H](CO)O1 ZINC000527039091 1196757584 /nfs/dbraw/zinc/75/75/84/1196757584.db2.gz SBCCVGIZCOGQFG-HNAYVOBHSA-N 0 3 377.485 0.935 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN[C@@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447901465 1196759637 /nfs/dbraw/zinc/75/96/37/1196759637.db2.gz BYFLXJKEYXJRHM-RBUKOAKNSA-N 0 3 377.485 0.469 20 0 GCADHN O=C(CN[C@H](CO)[C@H]1CCCO1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000447925759 1196760727 /nfs/dbraw/zinc/76/07/27/1196760727.db2.gz ZVWLLPLDLODNGN-QZTJIDSGSA-N 0 3 375.469 0.537 20 0 GCADHN C[C@H]1OCC[C@]12CN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C[C@@H](C)O2 ZINC000447965894 1196762600 /nfs/dbraw/zinc/76/26/00/1196762600.db2.gz UZKOQEFTMJQZNN-VIPLHTEESA-N 0 3 396.532 0.907 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)c2ccccc2O1 ZINC000527125271 1196767550 /nfs/dbraw/zinc/76/75/50/1196767550.db2.gz CIFSSLWYKYZSMI-MRXNPFEDSA-N 0 3 375.425 0.508 20 0 GCADHN O=C(CN[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCOCC1 ZINC001088350821 1196771452 /nfs/dbraw/zinc/77/14/52/1196771452.db2.gz JDIJUHLFBZVXKF-SGTQZHETSA-N 0 3 391.512 0.629 20 0 GCADHN CCN1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000527230558 1196775084 /nfs/dbraw/zinc/77/50/84/1196775084.db2.gz PQOBYDUPMSNPDJ-IRXDYDNUSA-N 0 3 377.537 0.824 20 0 GCADHN CO[C@@H]1CCOc2c(NC(=O)C(=O)NCCCN3CCN(C)CC3)cccc21 ZINC000448244062 1196784856 /nfs/dbraw/zinc/78/48/56/1196784856.db2.gz XRCJIVNWRRHMLU-QGZVFWFLSA-N 0 3 390.484 0.849 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000448318296 1196789631 /nfs/dbraw/zinc/78/96/31/1196789631.db2.gz CWMYWBJTAJKRCM-HNNXBMFYSA-N 0 3 376.457 0.726 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000448299280 1196790117 /nfs/dbraw/zinc/79/01/17/1196790117.db2.gz SHFYVIXKZLIAML-HNNXBMFYSA-N 0 3 387.484 0.504 20 0 GCADHN COC[C@H]1CN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C[C@H](C)O1 ZINC000527495453 1196791195 /nfs/dbraw/zinc/79/11/95/1196791195.db2.gz IVICDSSVHMJSFB-DZGCQCFKSA-N 0 3 379.457 0.958 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1S(N)(=O)=O ZINC000448321972 1196792303 /nfs/dbraw/zinc/79/23/03/1196792303.db2.gz PCVKVIACAPHFIE-HNNXBMFYSA-N 0 3 396.513 0.818 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](CO)[C@H]3CCCO3)c2)CC1 ZINC000448389450 1196796694 /nfs/dbraw/zinc/79/66/94/1196796694.db2.gz RQXFJLWTSMWBQQ-ZWKOTPCHSA-N 0 3 390.484 0.423 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@@H](O)C(C)(C)C3)cc21 ZINC000448435171 1196802178 /nfs/dbraw/zinc/80/21/78/1196802178.db2.gz SFVJFLKELCJSOE-OAHLLOKOSA-N 0 3 390.440 0.324 20 0 GCADHN CN(C)CCN(C(=O)NCCNS(=O)(=O)c1cccnc1)C1CCCC1 ZINC000448475373 1196805348 /nfs/dbraw/zinc/80/53/48/1196805348.db2.gz SILMZAUPFBGDTB-UHFFFAOYSA-N 0 3 383.518 0.876 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)CC1 ZINC000448482345 1196806414 /nfs/dbraw/zinc/80/64/14/1196806414.db2.gz VNFSVUFZGCPXOT-INIZCTEOSA-N 0 3 399.499 0.407 20 0 GCADHN COc1c(Cl)cccc1C(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001271954908 1196813575 /nfs/dbraw/zinc/81/35/75/1196813575.db2.gz PURPQGKCHZUZNP-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN COCCN1CCC(NC(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CC1 ZINC000448797575 1196832239 /nfs/dbraw/zinc/83/22/39/1196832239.db2.gz JLSFUYXVJFQVLE-UHFFFAOYSA-N 0 3 380.470 0.139 20 0 GCADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000528319475 1196847514 /nfs/dbraw/zinc/84/75/14/1196847514.db2.gz PPAZZBHQGXGMHF-SNVBAGLBSA-N 0 3 397.423 0.305 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CCOCC1 ZINC000528328911 1196849367 /nfs/dbraw/zinc/84/93/67/1196849367.db2.gz GZKACFZUPORIIO-UHFFFAOYSA-N 0 3 393.509 0.911 20 0 GCADHN CN1c2cc(C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)ccc2OCC1=O ZINC000528350389 1196851778 /nfs/dbraw/zinc/85/17/78/1196851778.db2.gz BLCYJYAQXFKFBN-OAHLLOKOSA-N 0 3 386.452 0.596 20 0 GCADHN CCOC(=O)c1cccc(OC[C@H](O)CN2CCN(C[C@H](C)O)C[C@@H]2C)c1 ZINC000282024081 1196880149 /nfs/dbraw/zinc/88/01/49/1196880149.db2.gz KKZXJVQCIPETKK-XYJFISCASA-N 0 3 380.485 0.990 20 0 GCADHN CCOC(=O)c1cccc(OC[C@H](O)CN2CCN(C[C@H](C)O)C[C@H]2C)c1 ZINC000282024079 1196880409 /nfs/dbraw/zinc/88/04/09/1196880409.db2.gz KKZXJVQCIPETKK-SOLBZPMBSA-N 0 3 380.485 0.990 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528710569 1196880543 /nfs/dbraw/zinc/88/05/43/1196880543.db2.gz SVSXMKSILWGRRC-UHFFFAOYSA-N 0 3 383.474 0.219 20 0 GCADHN C[C@H](NC(=O)CN1CCC(C)(N2CCOCC2)CC1)C(=O)N1CCCCC1 ZINC000528727315 1196882018 /nfs/dbraw/zinc/88/20/18/1196882018.db2.gz JWZYZJBFUXKUDF-KRWDZBQOSA-N 0 3 380.533 0.690 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(CCCOc2ccc3c(c2)OCO3)CC1 ZINC000528729263 1196882836 /nfs/dbraw/zinc/88/28/36/1196882836.db2.gz KFJPPCZNLOCJBY-UHFFFAOYSA-N 0 3 377.441 0.855 20 0 GCADHN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000119259172 1196887869 /nfs/dbraw/zinc/88/78/69/1196887869.db2.gz OUDAFWMGMUUKFM-RDTXWAMCSA-N 0 3 390.532 0.916 20 0 GCADHN CN1CCN(CCNC(=O)NCCS(=O)(=O)Cc2ccccc2)CC1(C)C ZINC000282024626 1196889907 /nfs/dbraw/zinc/88/99/07/1196889907.db2.gz YUWSWBJMWQKJRC-UHFFFAOYSA-N 0 3 396.557 0.927 20 0 GCADHN CCN1CCN(C[C@@H](C)CN2C(=O)NC3(CCC(C(=O)OC)CC3)C2=O)CC1 ZINC000349396164 1196890380 /nfs/dbraw/zinc/89/03/80/1196890380.db2.gz IQMYMVDTAABQGK-LSWWBPAMSA-N 0 3 394.516 0.914 20 0 GCADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCCCN1CCN(C)CC1)C2=O ZINC000041362864 1196895854 /nfs/dbraw/zinc/89/58/54/1196895854.db2.gz OKVLZFLNLFHPNL-OXQOHEQNSA-N 0 3 393.532 0.631 20 0 GCADHN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCCCN1CCN(C)CC1)C2=O ZINC000041362866 1196895952 /nfs/dbraw/zinc/89/59/52/1196895952.db2.gz OKVLZFLNLFHPNL-OXJNMPFZSA-N 0 3 393.532 0.631 20 0 GCADHN CC(=O)NC[C@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)CC(C)C ZINC000450149034 1196916125 /nfs/dbraw/zinc/91/61/25/1196916125.db2.gz RMHNOLCQGBYGSU-ROUUACIJSA-N 0 3 380.533 0.940 20 0 GCADHN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000529409100 1196920921 /nfs/dbraw/zinc/92/09/21/1196920921.db2.gz HFLRXONWBFJTBJ-RDJZCZTQSA-N 0 3 381.498 0.863 20 0 GCADHN COc1ccc(-c2noc(NCCCCN3CCN(CCO)CC3)n2)cc1 ZINC000450327958 1196924334 /nfs/dbraw/zinc/92/43/34/1196924334.db2.gz AMRMKKKKWGNTAA-UHFFFAOYSA-N 0 3 375.473 1.547 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3coc(S(=O)(=O)N(C)C)c3)C2)CC1 ZINC000372305573 1196928820 /nfs/dbraw/zinc/92/88/20/1196928820.db2.gz SIIBZLWQICZTPE-MRXNPFEDSA-N 0 3 398.529 0.770 20 0 GCADHN C[C@@H]1CN(c2cc(N3C[C@@H](C)N(CCO)[C@@H](C)C3)ncn2)C[C@H](C)N1CCO ZINC000450786536 1196954161 /nfs/dbraw/zinc/95/41/61/1196954161.db2.gz AGZNVEDXFRPONO-USTZCAOPSA-N 0 3 392.548 0.259 20 0 GCADHN COC[C@@]1(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)COc2ccccc2C1 ZINC000529960650 1196954362 /nfs/dbraw/zinc/95/43/62/1196954362.db2.gz MROQGGXAAKBMBL-OXJNMPFZSA-N 0 3 375.469 0.533 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000450866230 1196957842 /nfs/dbraw/zinc/95/78/42/1196957842.db2.gz WPWUCVLWWONWQP-KBPBESRZSA-N 0 3 399.499 0.140 20 0 GCADHN O[C@@H](CN1CC[C@@H](Oc2cccnc2N2CCCC2)C1)CN1CCOCC1 ZINC000451014151 1196965757 /nfs/dbraw/zinc/96/57/57/1196965757.db2.gz CAJWCCMMSUACNQ-QZTJIDSGSA-N 0 3 376.501 0.828 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cccnc1C(=O)OC ZINC000451147751 1196975708 /nfs/dbraw/zinc/97/57/08/1196975708.db2.gz SDYICWWATVCMNK-HNNXBMFYSA-N 0 3 398.529 0.905 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)CCOCc2ccccc2)CC1 ZINC000451171123 1196977655 /nfs/dbraw/zinc/97/76/55/1196977655.db2.gz RHOCIMDDHUPPTL-UHFFFAOYSA-N 0 3 395.525 0.773 20 0 GCADHN CS[C@H]1CN(C(=O)c2ccc(=O)n(Cc3nc(C)no3)c2)C[C@H]1N(C)C ZINC000530337842 1196979924 /nfs/dbraw/zinc/97/99/24/1196979924.db2.gz FMLPOUXJBIRAGI-KGLIPLIRSA-N 0 3 377.470 0.706 20 0 GCADHN CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC[C@@](COC)(C(=O)OC)C2)CC1 ZINC000451331678 1196989126 /nfs/dbraw/zinc/98/91/26/1196989126.db2.gz SKTACUVERRQAHS-IFXJQAMLSA-N 0 3 384.473 0.688 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000121853146 1196991778 /nfs/dbraw/zinc/99/17/78/1196991778.db2.gz YUTGADLGYYUTQI-QGZVFWFLSA-N 0 3 380.514 0.349 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000530567203 1196996815 /nfs/dbraw/zinc/99/68/15/1196996815.db2.gz HLSLKDJKCZOCAP-AWEZNQCLSA-N 0 3 376.457 0.598 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000530567274 1196996819 /nfs/dbraw/zinc/99/68/19/1196996819.db2.gz NYLLQSWBHINPMX-HNNXBMFYSA-N 0 3 388.468 0.556 20 0 GCADHN CO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C ZINC000451563116 1196998785 /nfs/dbraw/zinc/99/87/85/1196998785.db2.gz JPZGBVHBQUTGRY-AEFFLSMTSA-N 0 3 395.525 0.876 20 0 GCADHN NC(=O)c1ncn([C@H]2CCCN(C(=O)NC[C@@H]3NCCc4ccccc43)C2)n1 ZINC000517540300 1197001585 /nfs/dbraw/zinc/00/15/85/1197001585.db2.gz KZOVYXPGNVLYLN-HOCLYGCPSA-N 0 3 383.456 0.611 20 0 GCADHN NC(=O)c1ncn([C@@H]2CCCN(C(=O)NC[C@@H]3NCCc4ccccc43)C2)n1 ZINC000517540302 1197002066 /nfs/dbraw/zinc/00/20/66/1197002066.db2.gz KZOVYXPGNVLYLN-ZBFHGGJFSA-N 0 3 383.456 0.611 20 0 GCADHN O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCN(CCn2cncn2)CC1 ZINC000530675362 1197007715 /nfs/dbraw/zinc/00/77/15/1197007715.db2.gz PCJTYGOIKVCRTQ-LJQANCHMSA-N 0 3 383.500 0.730 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1 ZINC000530681243 1197008464 /nfs/dbraw/zinc/00/84/64/1197008464.db2.gz FJBGVQURZOJWBL-CQSZACIVSA-N 0 3 396.513 0.914 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000451719254 1197011910 /nfs/dbraw/zinc/01/19/10/1197011910.db2.gz WWDFQPVHSOZRSY-FGTMMUONSA-N 0 3 394.560 0.528 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000530736817 1197014187 /nfs/dbraw/zinc/01/41/87/1197014187.db2.gz PAYQCNFIEVHQSW-UHFFFAOYSA-N 0 3 397.497 0.636 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000530806697 1197017337 /nfs/dbraw/zinc/01/73/37/1197017337.db2.gz GTUWRBMUKWKULV-CQSZACIVSA-N 0 3 394.497 0.623 20 0 GCADHN CCN1CCN(CCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000530810385 1197018153 /nfs/dbraw/zinc/01/81/53/1197018153.db2.gz ARVUBWFURAOJKP-UHFFFAOYSA-N 0 3 388.512 0.803 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000122209539 1197019048 /nfs/dbraw/zinc/01/90/48/1197019048.db2.gz FSZAWUGFBKURSD-ROUUACIJSA-N 0 3 387.528 0.820 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)N1CCCC1 ZINC000530845335 1197020764 /nfs/dbraw/zinc/02/07/64/1197020764.db2.gz HOXGDIUKGONXJX-CYBMUJFWSA-N 0 3 387.440 0.277 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC000530881234 1197022859 /nfs/dbraw/zinc/02/28/59/1197022859.db2.gz FKNNNDAPCZFRMI-HNNXBMFYSA-N 0 3 396.513 0.219 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1 ZINC000530920154 1197026918 /nfs/dbraw/zinc/02/69/18/1197026918.db2.gz QQYZMOFMCSLVEM-CYBMUJFWSA-N 0 3 382.486 0.987 20 0 GCADHN CCN(CC)CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001059689513 1197027209 /nfs/dbraw/zinc/02/72/09/1197027209.db2.gz UCEZWHGSWLNAFR-LSTDLKDCSA-N 0 3 381.517 0.735 20 0 GCADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@@H]1CCO[C@H](C)C1)C(=O)NCC(N)=O ZINC001168133974 1197029655 /nfs/dbraw/zinc/02/96/55/1197029655.db2.gz YEWJZNCMUAVGOT-WCVJEAGWSA-N 0 3 382.505 0.151 20 0 GCADHN CCO[C@@H]1CCC[C@H]1NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000452027328 1197033489 /nfs/dbraw/zinc/03/34/89/1197033489.db2.gz WBSLHEJBAAVJFH-MWDXBVQZSA-N 0 3 388.530 0.728 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1 ZINC000531045096 1197042085 /nfs/dbraw/zinc/04/20/85/1197042085.db2.gz HBBIMOPSFCOBIE-SNVBAGLBSA-N 0 3 389.424 0.765 20 0 GCADHN Cn1c(C(=O)N[C@@H]2CCCN(CCCO)C2)cc2c1nc1ccccn1c2=O ZINC000452382174 1197055456 /nfs/dbraw/zinc/05/54/56/1197055456.db2.gz LMWORXQLYXQAHX-CQSZACIVSA-N 0 3 383.452 0.763 20 0 GCADHN O=C(NC[C@H]1CCCCN1CCO)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000452385823 1197055939 /nfs/dbraw/zinc/05/59/39/1197055939.db2.gz DNUIOKZGCYHSCA-MSOLQXFVSA-N 0 3 375.469 0.377 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000452373774 1197056674 /nfs/dbraw/zinc/05/66/74/1197056674.db2.gz HYXMIJDISASDNX-INIZCTEOSA-N 0 3 383.514 0.545 20 0 GCADHN CCOC(=O)c1cnn2c1nccc2C(=O)NC[C@H]1CCCN1CCCO ZINC000452376627 1197057720 /nfs/dbraw/zinc/05/77/20/1197057720.db2.gz YXQLKTSTTGITOJ-CYBMUJFWSA-N 0 3 375.429 0.483 20 0 GCADHN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N[C@H]1CCCN(CCCO)C1)C2=O ZINC000452380505 1197058705 /nfs/dbraw/zinc/05/87/05/1197058705.db2.gz GXWNWOLYZBLNQR-OAGGEKHMSA-N 0 3 394.516 0.696 20 0 GCADHN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000531237339 1197059536 /nfs/dbraw/zinc/05/95/36/1197059536.db2.gz NRLAJWMTCODTNJ-UHFFFAOYSA-N 0 3 386.518 0.596 20 0 GCADHN COc1ccc([C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)N2CCCC2)cc1 ZINC000531281560 1197062185 /nfs/dbraw/zinc/06/21/85/1197062185.db2.gz RYQWZAIYPAAEFR-IRXDYDNUSA-N 0 3 376.457 0.328 20 0 GCADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000531395772 1197071120 /nfs/dbraw/zinc/07/11/20/1197071120.db2.gz VLAXIDHRQRFQQI-IRXDYDNUSA-N 0 3 380.514 0.834 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000531500508 1197079507 /nfs/dbraw/zinc/07/95/07/1197079507.db2.gz FMOZTYFEIWGMRB-LBPRGKRZSA-N 0 3 395.485 0.796 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCN1CCCO ZINC000452780058 1197080455 /nfs/dbraw/zinc/08/04/55/1197080455.db2.gz HAVWUDCZHQVQBX-QZTJIDSGSA-N 0 3 390.463 0.867 20 0 GCADHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452782261 1197080985 /nfs/dbraw/zinc/08/09/85/1197080985.db2.gz JXMDTIURHBPRJO-ROUUACIJSA-N 0 3 390.463 0.867 20 0 GCADHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H]1CCCN1CCCO ZINC000452782254 1197080997 /nfs/dbraw/zinc/08/09/97/1197080997.db2.gz JXMDTIURHBPRJO-MSOLQXFVSA-N 0 3 390.463 0.867 20 0 GCADHN C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000452781822 1197081257 /nfs/dbraw/zinc/08/12/57/1197081257.db2.gz IQSAPBOESCMFTA-OXQOHEQNSA-N 0 3 375.469 0.356 20 0 GCADHN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000452789184 1197081418 /nfs/dbraw/zinc/08/14/18/1197081418.db2.gz AKMTYDRLNAYNHU-IEBWSBKVSA-N 0 3 377.485 0.705 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000531532461 1197081609 /nfs/dbraw/zinc/08/16/09/1197081609.db2.gz SBARXRAQNASHHE-UHFFFAOYSA-N 0 3 381.458 0.407 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc3ccncc32)CC1 ZINC000531533547 1197082224 /nfs/dbraw/zinc/08/22/24/1197082224.db2.gz OPMACZVWPXZCKP-UHFFFAOYSA-N 0 3 395.463 0.940 20 0 GCADHN COc1cccc(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000452797101 1197082557 /nfs/dbraw/zinc/08/25/57/1197082557.db2.gz ORKOXHYUQWXEKG-HKUYNNGSSA-N 0 3 377.485 0.705 20 0 GCADHN CNC(=O)[C@@H](NC(=O)CN(CC(C)(C)O)C1CCOCC1)c1ccccc1 ZINC000531643849 1197089710 /nfs/dbraw/zinc/08/97/10/1197089710.db2.gz JETHYVAERJMYTE-SFHVURJKSA-N 0 3 377.485 0.842 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000453043477 1197093734 /nfs/dbraw/zinc/09/37/34/1197093734.db2.gz XIEPCRBWJQCBQW-QAPCUYQASA-N 0 3 393.509 0.792 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C1 ZINC000531811011 1197097881 /nfs/dbraw/zinc/09/78/81/1197097881.db2.gz JOMHHEBPFQTPFO-CYBMUJFWSA-N 0 3 382.486 0.479 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 ZINC000531987328 1197105627 /nfs/dbraw/zinc/10/56/27/1197105627.db2.gz YCFYAUPMYZPOPT-IAGOWNOFSA-N 0 3 387.484 0.551 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)n1 ZINC000453567657 1197109611 /nfs/dbraw/zinc/10/96/11/1197109611.db2.gz AFJLFHIHBONLHT-HOTGVXAUSA-N 0 3 379.505 1.546 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)n1 ZINC000453567658 1197109727 /nfs/dbraw/zinc/10/97/27/1197109727.db2.gz AFJLFHIHBONLHT-HZPDHXFCSA-N 0 3 379.505 1.546 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)n1 ZINC000453587585 1197112517 /nfs/dbraw/zinc/11/25/17/1197112517.db2.gz ZHVMRRWIGCTQDN-UHFFFAOYSA-N 0 3 379.505 1.547 20 0 GCADHN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000532094512 1197113098 /nfs/dbraw/zinc/11/30/98/1197113098.db2.gz WAVHMQAEDRILKV-DLBZAZTESA-N 0 3 389.548 0.965 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)Cn3c4ccccc4c(=O)[nH]c3=O)C2)CC1 ZINC000532093507 1197113140 /nfs/dbraw/zinc/11/31/40/1197113140.db2.gz OKCUWRHLSKSBHE-MRXNPFEDSA-N 0 3 399.495 0.729 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000453611799 1197114212 /nfs/dbraw/zinc/11/42/12/1197114212.db2.gz RYMYSEOAIUKTBT-CHWSQXEVSA-N 0 3 376.457 0.969 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2ccc3ncnn3c2)Cc2ccccc2C1 ZINC000453651943 1197117628 /nfs/dbraw/zinc/11/76/28/1197117628.db2.gz HBBWVORBTNFENY-UHFFFAOYSA-N 0 3 378.436 0.883 20 0 GCADHN O=C(Nc1ccc(O[C@@H]2CC(=O)N2)cc1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000453680862 1197122251 /nfs/dbraw/zinc/12/22/51/1197122251.db2.gz VPRNTKSLJPLAHQ-CRAIPNDOSA-N 0 3 386.452 0.937 20 0 GCADHN O=C(Nc1ccc(O[C@@H]2CC(=O)N2)cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000453680866 1197122337 /nfs/dbraw/zinc/12/23/37/1197122337.db2.gz VPRNTKSLJPLAHQ-MAUKXSAKSA-N 0 3 386.452 0.937 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000453712616 1197125057 /nfs/dbraw/zinc/12/50/57/1197125057.db2.gz IEBWTXDZVPDXPR-KRWDZBQOSA-N 0 3 376.457 0.896 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000453751125 1197130473 /nfs/dbraw/zinc/13/04/73/1197130473.db2.gz JQULWCHZQCZPEY-RVKKMQEKSA-N 0 3 386.452 0.935 20 0 GCADHN CC[C@@H](NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)C(N)=O ZINC000453789184 1197132429 /nfs/dbraw/zinc/13/24/29/1197132429.db2.gz ARRIOQKUVNXZLU-MRXNPFEDSA-N 0 3 375.473 0.536 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000532272683 1197133188 /nfs/dbraw/zinc/13/31/88/1197133188.db2.gz JEVVSQBYLABMFQ-QGZVFWFLSA-N 0 3 383.452 0.643 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cc1C ZINC000453801622 1197137649 /nfs/dbraw/zinc/13/76/49/1197137649.db2.gz AWCWJOPROQULOP-HNNXBMFYSA-N 0 3 377.441 0.683 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000453801564 1197137675 /nfs/dbraw/zinc/13/76/75/1197137675.db2.gz AILPKUHLCUYFRZ-MRXNPFEDSA-N 0 3 389.431 0.913 20 0 GCADHN COc1cc(F)c(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cc1OC ZINC000453807107 1197138778 /nfs/dbraw/zinc/13/87/78/1197138778.db2.gz OWNQZDHVXIYYKZ-GFCCVEGCSA-N 0 3 383.420 0.744 20 0 GCADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453808113 1197139030 /nfs/dbraw/zinc/13/90/30/1197139030.db2.gz QJWMSSPHDFRNKX-CQSZACIVSA-N 0 3 377.441 0.683 20 0 GCADHN Cn1ccnc1-c1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000453808696 1197139507 /nfs/dbraw/zinc/13/95/07/1197139507.db2.gz SBQZRVZCMQPABP-KRWDZBQOSA-N 0 3 385.468 0.989 20 0 GCADHN CCOc1ccc(OC)cc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453808723 1197139539 /nfs/dbraw/zinc/13/95/39/1197139539.db2.gz SKIRBWCARKWYSU-AWEZNQCLSA-N 0 3 379.457 0.995 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cc(C)c1C ZINC000453807675 1197139793 /nfs/dbraw/zinc/13/97/93/1197139793.db2.gz POTSZELKMUXKOC-INIZCTEOSA-N 0 3 391.468 0.992 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cc1F ZINC000453810144 1197140296 /nfs/dbraw/zinc/14/02/96/1197140296.db2.gz WVEJBTOCAWBRII-LBPRGKRZSA-N 0 3 383.420 0.744 20 0 GCADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1 ZINC000986138241 1197148053 /nfs/dbraw/zinc/14/80/53/1197148053.db2.gz UZJODODNZLONHF-XMTFNYHQSA-N 0 3 385.512 0.926 20 0 GCADHN CCN1CCN(CCCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000041443813 1197149456 /nfs/dbraw/zinc/14/94/56/1197149456.db2.gz MTTIKFGUIWNLCL-JXFKEZNVSA-N 0 3 393.532 0.631 20 0 GCADHN CCN1CCN(CCCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000041443815 1197149643 /nfs/dbraw/zinc/14/96/43/1197149643.db2.gz MTTIKFGUIWNLCL-OXJNMPFZSA-N 0 3 393.532 0.631 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c(OC)c(OC)c1 ZINC000453912302 1197150223 /nfs/dbraw/zinc/15/02/23/1197150223.db2.gz DFIQGSSGDNZLCF-SMDDNHRTSA-N 0 3 391.424 0.591 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1C ZINC000453914585 1197153452 /nfs/dbraw/zinc/15/34/52/1197153452.db2.gz IQMUEOQYLYNCGH-GXTWGEPZSA-N 0 3 380.470 0.004 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000453916106 1197153656 /nfs/dbraw/zinc/15/36/56/1197153656.db2.gz AWSVOQNJKVWARM-XJKSGUPXSA-N 0 3 394.497 0.474 20 0 GCADHN COCC(=O)N1CCc2cc(NC(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)ccc21 ZINC000453917294 1197155122 /nfs/dbraw/zinc/15/51/22/1197155122.db2.gz MCJCVLKISVJOQT-WMLDXEAASA-N 0 3 386.452 0.323 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(N)=O)cc3OCC(F)F)C[C@@H]21 ZINC000453916955 1197155685 /nfs/dbraw/zinc/15/56/85/1197155685.db2.gz LOJPGKZTJCVQOU-YPMHNXCESA-N 0 3 396.394 0.530 20 0 GCADHN CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000453918223 1197156915 /nfs/dbraw/zinc/15/69/15/1197156915.db2.gz NQXYMKCKPONATG-XJKSGUPXSA-N 0 3 394.497 0.939 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c(OCC(=O)N(C)C)c1 ZINC000453918061 1197158044 /nfs/dbraw/zinc/15/80/44/1197158044.db2.gz CLAMDFAVLQKHLJ-GOEBONIOSA-N 0 3 388.468 0.563 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCc3nc(C)nn3C2)CC1 ZINC000171439678 1197158074 /nfs/dbraw/zinc/15/80/74/1197158074.db2.gz BPAWOXDLTOIRJP-OAHLLOKOSA-N 0 3 377.493 0.097 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000470050327 1197158640 /nfs/dbraw/zinc/15/86/40/1197158640.db2.gz IUVSQGBTEVTCBY-GFCCVEGCSA-N 0 3 375.477 0.171 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-n4nnnc4C4CC4)c3)C[C@@H]21 ZINC000453918866 1197159730 /nfs/dbraw/zinc/15/97/30/1197159730.db2.gz OPOMFFSOMZKZGV-WBMJQRKESA-N 0 3 399.430 0.780 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC000986259857 1197161798 /nfs/dbraw/zinc/16/17/98/1197161798.db2.gz QPWLXXWLJYJFLI-YVSFHVDLSA-N 0 3 379.501 0.582 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)C[C@@H]21 ZINC000453919230 1197162120 /nfs/dbraw/zinc/16/21/20/1197162120.db2.gz DVUBLPNYEQWIJU-XOKHGSTOSA-N 0 3 386.452 0.905 20 0 GCADHN CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2C1)C1CCC1 ZINC000986282473 1197162446 /nfs/dbraw/zinc/16/24/46/1197162446.db2.gz HGLBKUXCMMKSRN-TWMKSMIVSA-N 0 3 390.528 0.679 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000453919833 1197172870 /nfs/dbraw/zinc/17/28/70/1197172870.db2.gz PYSGUVGHYSWRMT-SWLSCSKDSA-N 0 3 380.470 0.549 20 0 GCADHN CCN1CCN([C@@H]2CCN(c3ccc(S(=O)(=O)NCC4CC4)cn3)C2)CC1 ZINC000172757822 1197173701 /nfs/dbraw/zinc/17/37/01/1197173701.db2.gz ZXLNBYLCOBEERL-QGZVFWFLSA-N 0 3 393.557 0.986 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(C(N)=O)ccc3OCC(F)F)C[C@@H]21 ZINC000453921734 1197177739 /nfs/dbraw/zinc/17/77/39/1197177739.db2.gz SQIOYXWWEHLWMK-YPMHNXCESA-N 0 3 396.394 0.530 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000173842240 1197179113 /nfs/dbraw/zinc/17/91/13/1197179113.db2.gz VCJNMWBOQXAHLY-SFHVURJKSA-N 0 3 386.496 0.771 20 0 GCADHN CCN1CCO[C@@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000174744556 1197181713 /nfs/dbraw/zinc/18/17/13/1197181713.db2.gz NQDSTITULKOZLK-LJQANCHMSA-N 0 3 388.512 0.849 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1=O ZINC000174812905 1197182632 /nfs/dbraw/zinc/18/26/32/1197182632.db2.gz PSWRBTOAAALBBX-UKRRQHHQSA-N 0 3 376.432 0.457 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1=O ZINC000174812920 1197182826 /nfs/dbraw/zinc/18/28/26/1197182826.db2.gz PSWRBTOAAALBBX-HIFRSBDPSA-N 0 3 376.432 0.457 20 0 GCADHN CNC(=O)CNC[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001105430972 1197183765 /nfs/dbraw/zinc/18/37/65/1197183765.db2.gz JIKVFAGHQDOCFK-JKMVCGQXSA-N 0 3 383.492 0.962 20 0 GCADHN COCc1cc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc(C(=O)OC)c1 ZINC000453923713 1197186974 /nfs/dbraw/zinc/18/69/74/1197186974.db2.gz WSHYZQUITBAOSK-XJKSGUPXSA-N 0 3 375.425 0.721 20 0 GCADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000176999715 1197188559 /nfs/dbraw/zinc/18/85/59/1197188559.db2.gz KVMSNBQDCARDHV-MRXNPFEDSA-N 0 3 383.456 0.995 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cccn(Cc4ccccc4)c3=O)C[C@@H]21 ZINC000453924666 1197189303 /nfs/dbraw/zinc/18/93/03/1197189303.db2.gz XXCSYMVONHBTIM-AEFFLSMTSA-N 0 3 380.448 0.998 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nnc3n2CCCCC3)CC1 ZINC000177879940 1197193329 /nfs/dbraw/zinc/19/33/29/1197193329.db2.gz QLCVPERMUKPFDG-OAHLLOKOSA-N 0 3 389.504 0.453 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCN(C(=O)CO)CC2)CC1 ZINC000179542872 1197198541 /nfs/dbraw/zinc/19/85/41/1197198541.db2.gz YYKDGKBBWAOGSU-UHFFFAOYSA-N 0 3 388.512 0.166 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000180140296 1197200612 /nfs/dbraw/zinc/20/06/12/1197200612.db2.gz NLCBZBLGGIBYTL-MRXNPFEDSA-N 0 3 379.530 0.718 20 0 GCADHN O=C(CCN1CCCN(CC(F)F)CC1)N1CCN(c2ncccn2)CC1 ZINC000180559526 1197201778 /nfs/dbraw/zinc/20/17/78/1197201778.db2.gz OJWODQYYSFNVHS-UHFFFAOYSA-N 0 3 382.459 0.788 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(=O)NC)CC1)C2 ZINC001719912797 1197206718 /nfs/dbraw/zinc/20/67/18/1197206718.db2.gz SJAUIUSVDLXIML-LVQVYYBASA-N 0 3 376.501 0.635 20 0 GCADHN COc1cccc(OC)c1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000475756611 1197208604 /nfs/dbraw/zinc/20/86/04/1197208604.db2.gz JMDWIMRLJLWEJD-ZDUSSCGKSA-N 0 3 385.486 0.570 20 0 GCADHN CCN(CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183762991 1197209840 /nfs/dbraw/zinc/20/98/40/1197209840.db2.gz CTMUXCUGEXDTME-INIZCTEOSA-N 0 3 399.495 0.918 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000666120924 1197210564 /nfs/dbraw/zinc/21/05/64/1197210564.db2.gz WHFYBFSKNRRKRB-HNNXBMFYSA-N 0 3 382.486 0.970 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000453927569 1197212648 /nfs/dbraw/zinc/21/26/48/1197212648.db2.gz KTRHMDJCQOHNQU-SWLSCSKDSA-N 0 3 380.470 0.038 20 0 GCADHN Cc1ccc([C@H](CNC(=O)NCCNS(=O)(=O)NC(C)C)N(C)C)cc1 ZINC000428536608 1197213635 /nfs/dbraw/zinc/21/36/35/1197213635.db2.gz RUXQAJIZWHPTGP-INIZCTEOSA-N 0 3 385.534 0.729 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCc1nnc2n1CCCCC2 ZINC000185506626 1197225361 /nfs/dbraw/zinc/22/53/61/1197225361.db2.gz BWVQKAJBBFNOJI-INIZCTEOSA-N 0 3 377.537 0.872 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000186123450 1197226579 /nfs/dbraw/zinc/22/65/79/1197226579.db2.gz CGFMVANDNLCHSF-IRXDYDNUSA-N 0 3 377.537 0.714 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000475788747 1197231868 /nfs/dbraw/zinc/23/18/68/1197231868.db2.gz HDKIWPMYQLSQOK-HNNXBMFYSA-N 0 3 393.492 0.036 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000475788748 1197232005 /nfs/dbraw/zinc/23/20/05/1197232005.db2.gz HDKIWPMYQLSQOK-OAHLLOKOSA-N 0 3 393.492 0.036 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000188982185 1197234521 /nfs/dbraw/zinc/23/45/21/1197234521.db2.gz ONTGOMCTZFIOED-UHFFFAOYSA-N 0 3 391.497 0.920 20 0 GCADHN C[C@H](NC[C@H]1CCCNC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000666187087 1197234686 /nfs/dbraw/zinc/23/46/86/1197234686.db2.gz HGGSUCAVLLUCPG-GOEBONIOSA-N 0 3 381.498 0.884 20 0 GCADHN C[C@H](O)CN1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000189395395 1197236380 /nfs/dbraw/zinc/23/63/80/1197236380.db2.gz CDEUYGPYXPKNRF-SFHVURJKSA-N 0 3 382.549 0.136 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(-c4nnnn4C4CC4)c3)C[C@@H]21 ZINC000453941184 1197237411 /nfs/dbraw/zinc/23/74/11/1197237411.db2.gz VIXHRKGVXVZIRC-CJNGLKHVSA-N 0 3 381.440 0.776 20 0 GCADHN CN(CCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000064040114 1197241484 /nfs/dbraw/zinc/24/14/84/1197241484.db2.gz YEEXRQJWELWTBB-LJQANCHMSA-N 0 3 388.512 0.415 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC(COC)COC)c(C)c2)CC1 ZINC000453948836 1197248031 /nfs/dbraw/zinc/24/80/31/1197248031.db2.gz KDIRUEGACPFBIQ-UHFFFAOYSA-N 0 3 392.500 0.853 20 0 GCADHN C[C@@H](O)CN1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@@H](C)C1 ZINC000192826033 1197248697 /nfs/dbraw/zinc/24/86/97/1197248697.db2.gz CGVLVDILXDMDGF-RBUKOAKNSA-N 0 3 396.576 0.525 20 0 GCADHN O=C(Nc1cnn(CCN2CCOCC2)c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666239835 1197250846 /nfs/dbraw/zinc/25/08/46/1197250846.db2.gz OPHMZSMUZAGTIO-GOSISDBHSA-N 0 3 392.504 0.590 20 0 GCADHN CN(C)CCn1nccc1C(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000888129351 1197254540 /nfs/dbraw/zinc/25/45/40/1197254540.db2.gz UWXUDRFKXCDCFV-SFHVURJKSA-N 0 3 381.477 0.546 20 0 GCADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000666272745 1197256254 /nfs/dbraw/zinc/25/62/54/1197256254.db2.gz IMIUWVBAMZHGFN-UHFFFAOYSA-N 0 3 393.488 0.881 20 0 GCADHN O=C(CCn1c(=O)oc2ccccc21)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103123154 1197263260 /nfs/dbraw/zinc/26/32/60/1197263260.db2.gz OGOGBOLJMYZWIT-UHFFFAOYSA-N 0 3 386.452 0.751 20 0 GCADHN Cc1ccc(-n2cc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)nn2)cc1 ZINC000103122197 1197263524 /nfs/dbraw/zinc/26/35/24/1197263524.db2.gz OBJBWIVGDVTQRQ-UHFFFAOYSA-N 0 3 382.468 0.956 20 0 GCADHN CO[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)C[C@H]1O ZINC000453962292 1197265055 /nfs/dbraw/zinc/26/50/55/1197265055.db2.gz DJPPQHCIZDCTNN-QZTJIDSGSA-N 0 3 390.484 0.374 20 0 GCADHN CNC(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000453963978 1197267510 /nfs/dbraw/zinc/26/75/10/1197267510.db2.gz AXIRCVAQFCOAAB-HNNXBMFYSA-N 0 3 389.500 0.796 20 0 GCADHN NS(=O)(=O)c1cc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)ccn1 ZINC000428553933 1197267832 /nfs/dbraw/zinc/26/78/32/1197267832.db2.gz YWKRZMOESBWVPE-HNNXBMFYSA-N 0 3 376.438 0.548 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2c(F)cccc2F)CC1 ZINC000103325730 1197271711 /nfs/dbraw/zinc/27/17/11/1197271711.db2.gz AHQVZHJWODLDSH-UHFFFAOYSA-N 0 3 380.395 0.670 20 0 GCADHN CN(C)CCN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000053152895 1197277383 /nfs/dbraw/zinc/27/73/83/1197277383.db2.gz LUKZFUINAZMMCV-GOEBONIOSA-N 0 3 385.530 0.355 20 0 GCADHN CNC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000453977744 1197294338 /nfs/dbraw/zinc/29/43/38/1197294338.db2.gz YNXAQSWZUFWYBH-AWEZNQCLSA-N 0 3 392.525 0.857 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@H](N(CCO)CCN2CCCC2=O)C1 ZINC001691533142 1197301017 /nfs/dbraw/zinc/30/10/17/1197301017.db2.gz YUWQZWSTWNHBLE-MLHJIOFPSA-N 0 3 379.501 0.462 20 0 GCADHN COC(=O)C1([C@]2(O)CCCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)C2)CCC1 ZINC000888203412 1197313176 /nfs/dbraw/zinc/31/31/76/1197313176.db2.gz NFDANTJFJGQCLQ-QRWLVFNGSA-N 0 3 395.500 0.093 20 0 GCADHN CC[C@H](NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)C(=O)NC ZINC000454090185 1197323104 /nfs/dbraw/zinc/32/31/04/1197323104.db2.gz JMHRZQNBUNXXMK-KRWDZBQOSA-N 0 3 389.500 0.796 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c2ccccc2O1 ZINC000454087644 1197323161 /nfs/dbraw/zinc/32/31/61/1197323161.db2.gz GSBHPNQSRZGRLR-PBHICJAKSA-N 0 3 388.468 0.468 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1C ZINC000454092007 1197323424 /nfs/dbraw/zinc/32/34/24/1197323424.db2.gz IZQIEILXIZXBCY-AWEZNQCLSA-N 0 3 396.513 0.783 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c(C)c1 ZINC000454093316 1197323640 /nfs/dbraw/zinc/32/36/40/1197323640.db2.gz JUJKOCKQBIGQJD-HNNXBMFYSA-N 0 3 390.484 0.999 20 0 GCADHN CCc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1S(N)(=O)=O ZINC000454096017 1197324319 /nfs/dbraw/zinc/32/43/19/1197324319.db2.gz LYMOGFQZNPXQKT-OAHLLOKOSA-N 0 3 396.513 0.776 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000454083871 1197324706 /nfs/dbraw/zinc/32/47/06/1197324706.db2.gz DJAZQCCSMCSQLN-HNNXBMFYSA-N 0 3 396.513 0.817 20 0 GCADHN CC[C@H](NC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1)C(=O)NC ZINC000454083704 1197324815 /nfs/dbraw/zinc/32/48/15/1197324815.db2.gz GHQCVLKJZGROSL-KRWDZBQOSA-N 0 3 389.500 0.403 20 0 GCADHN CC[C@@H](NC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1)C(=O)NC ZINC000454083706 1197324839 /nfs/dbraw/zinc/32/48/39/1197324839.db2.gz GHQCVLKJZGROSL-QGZVFWFLSA-N 0 3 389.500 0.403 20 0 GCADHN CN1CCC(NC(=O)c2ccc(NC3CC4(C3)CS(=O)(=O)C4)nn2)CC1 ZINC001168207120 1197325225 /nfs/dbraw/zinc/32/52/25/1197325225.db2.gz WGOFFKVAKJBXOU-UHFFFAOYSA-N 0 3 379.486 0.290 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000103449366 1197326038 /nfs/dbraw/zinc/32/60/38/1197326038.db2.gz QLPQQBHMJNKAAP-MRXNPFEDSA-N 0 3 378.517 0.790 20 0 GCADHN COc1ccc(CN(CCO)C(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000897450558 1197333133 /nfs/dbraw/zinc/33/31/33/1197333133.db2.gz HSQNBPLYYPVVKI-INIZCTEOSA-N 0 3 377.485 0.864 20 0 GCADHN CCN1CC[C@@H]1CNC(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000897453386 1197333781 /nfs/dbraw/zinc/33/37/81/1197333781.db2.gz KNRZCKACPAEUGI-RTBURBONSA-N 0 3 387.528 0.302 20 0 GCADHN CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000897453195 1197333896 /nfs/dbraw/zinc/33/38/96/1197333896.db2.gz FUJKRBBLFLLCRV-RTBURBONSA-N 0 3 389.496 0.813 20 0 GCADHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(=O)cc1OC)N(C)C ZINC001719915989 1197334741 /nfs/dbraw/zinc/33/47/41/1197334741.db2.gz RJBCWZZMHLYILT-NGFQHRJXSA-N 0 3 376.457 0.998 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC(=O)N(C)C)C3)C1 ZINC001719916095 1197334866 /nfs/dbraw/zinc/33/48/66/1197334866.db2.gz WKIHPRCSPTTWQQ-HZMVEIRTSA-N 0 3 378.517 0.835 20 0 GCADHN COCc1ccccc1CNC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000429729618 1197335616 /nfs/dbraw/zinc/33/56/16/1197335616.db2.gz ZOKFJWNDLVOHTH-SJORKVTESA-N 0 3 383.514 0.899 20 0 GCADHN C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)O1 ZINC000454177075 1197340246 /nfs/dbraw/zinc/34/02/46/1197340246.db2.gz RCBAVHADZAKYON-GXTWGEPZSA-N 0 3 390.440 0.778 20 0 GCADHN COCCN1CC[C@H](NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)C1 ZINC000332764388 1197343263 /nfs/dbraw/zinc/34/32/63/1197343263.db2.gz XTDGKVLXEGCXGT-YGTYGHESSA-N 0 3 380.489 0.570 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)C1 ZINC000332764387 1197343601 /nfs/dbraw/zinc/34/36/01/1197343601.db2.gz XTDGKVLXEGCXGT-NXEZDXNNSA-N 0 3 380.489 0.570 20 0 GCADHN COCCN1CC[C@@H](NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C1 ZINC000332789915 1197343838 /nfs/dbraw/zinc/34/38/38/1197343838.db2.gz SOQBZABGTUEOBM-ZBFHGGJFSA-N 0 3 389.452 0.648 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000332790586 1197343872 /nfs/dbraw/zinc/34/38/72/1197343872.db2.gz BFEOLWUEJWKVFE-FCEWJHQRSA-N 0 3 380.489 0.273 20 0 GCADHN C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H](C)N1CCOCC1 ZINC000332971423 1197348653 /nfs/dbraw/zinc/34/86/53/1197348653.db2.gz YKXFKSKXSIJENX-YESZJQIVSA-N 0 3 381.521 0.044 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)[C@@H](C)CN1 ZINC000418802891 1197350571 /nfs/dbraw/zinc/35/05/71/1197350571.db2.gz KQSAOANAQKNHFW-SJORKVTESA-N 0 3 380.533 0.594 20 0 GCADHN Cn1ccnc1C[C@H]1CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000123859773 1197352071 /nfs/dbraw/zinc/35/20/71/1197352071.db2.gz JOIGPBIRZDWUQB-QGZVFWFLSA-N 0 3 399.495 0.855 20 0 GCADHN C[C@@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[C@@H]1N1CCN(C)CC1 ZINC000536529544 1197353568 /nfs/dbraw/zinc/35/35/68/1197353568.db2.gz HMOWWSIIZNQKOW-ZBFHGGJFSA-N 0 3 395.529 0.975 20 0 GCADHN O=C(NCCN1CCCS1(=O)=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000127656745 1197361198 /nfs/dbraw/zinc/36/11/98/1197361198.db2.gz KYENVOMEEOGXHE-QGZVFWFLSA-N 0 3 380.514 0.986 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000532655645 1197362128 /nfs/dbraw/zinc/36/21/28/1197362128.db2.gz COSZYPPVFYQDRK-VLIAUNLRSA-N 0 3 387.484 0.497 20 0 GCADHN O=C(Nc1ccc2c(c1)CNC2)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000666668227 1197362288 /nfs/dbraw/zinc/36/22/88/1197362288.db2.gz ZNXDTJTYWVQRMP-UHFFFAOYSA-N 0 3 385.468 0.978 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000128594086 1197364234 /nfs/dbraw/zinc/36/42/34/1197364234.db2.gz YTFPNTKFVPZBMV-ZWKOTPCHSA-N 0 3 377.537 0.973 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)n(C)c1C ZINC000897475157 1197366033 /nfs/dbraw/zinc/36/60/33/1197366033.db2.gz LXKVLLNMDJSATO-SFHVURJKSA-N 0 3 396.513 0.290 20 0 GCADHN CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCCN(C)C1=O ZINC001719920039 1197367353 /nfs/dbraw/zinc/36/73/53/1197367353.db2.gz YSFBXMZHGCRBMU-TWMKSMIVSA-N 0 3 378.517 0.835 20 0 GCADHN CCCCCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)n1)C2 ZINC001719923064 1197369534 /nfs/dbraw/zinc/36/95/34/1197369534.db2.gz IOFXZOAGJNMDPQ-KFWWJZLASA-N 0 3 377.493 0.584 20 0 GCADHN C[C@H](C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)N1CCCCCC1 ZINC000129897518 1197369709 /nfs/dbraw/zinc/36/97/09/1197369709.db2.gz NWIUZJYIAZJFLH-OAHLLOKOSA-N 0 3 397.545 0.954 20 0 GCADHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1CC(N)=O)C2 ZINC001719927661 1197371934 /nfs/dbraw/zinc/37/19/34/1197371934.db2.gz YWCBNYABQPOPJQ-YUELXQCFSA-N 0 3 376.457 0.511 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCCN([C@@H](C)CO)CC2)c1 ZINC000470078019 1197374768 /nfs/dbraw/zinc/37/47/68/1197374768.db2.gz CZKVZQWPSYLUQF-KRWDZBQOSA-N 0 3 397.541 0.887 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1=O ZINC000132279878 1197380195 /nfs/dbraw/zinc/38/01/95/1197380195.db2.gz NPHIRFMXSAXDJE-MSOLQXFVSA-N 0 3 386.496 0.704 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1=O ZINC000132280068 1197380403 /nfs/dbraw/zinc/38/04/03/1197380403.db2.gz NPHIRFMXSAXDJE-ROUUACIJSA-N 0 3 386.496 0.704 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2ccc(F)c(Br)c2F)no1 ZINC001211955980 1197386536 /nfs/dbraw/zinc/38/65/36/1197386536.db2.gz DJHUPBJJWNWCCI-ZETCQYMHSA-N 0 3 377.145 0.886 20 0 GCADHN CN(C)c1ccc(Br)cc1-c1noc([C@H](CO)NC(=O)CN)n1 ZINC001211958875 1197387115 /nfs/dbraw/zinc/38/71/15/1197387115.db2.gz NQNZCCDCSYCJBI-JTQLQIEISA-N 0 3 384.234 0.673 20 0 GCADHN CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)N[C@H](CO)CN(C)C ZINC000614847489 1197387762 /nfs/dbraw/zinc/38/77/62/1197387762.db2.gz MDMNTRNFVCJHLT-VBKZILBWSA-N 0 3 388.468 0.414 20 0 GCADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](CO)CN(C)C)c(OC)c1 ZINC000614853719 1197388149 /nfs/dbraw/zinc/38/81/49/1197388149.db2.gz GYABYAWTBXQTMC-XJKSGUPXSA-N 0 3 379.457 0.347 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](CO)CN(C)C)C2)cc1 ZINC000614853694 1197388186 /nfs/dbraw/zinc/38/81/86/1197388186.db2.gz GSPKALOPYXWKRZ-HOTGVXAUSA-N 0 3 383.514 0.434 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000614854308 1197389482 /nfs/dbraw/zinc/38/94/82/1197389482.db2.gz MSNBVADNZSROAJ-SFHVURJKSA-N 0 3 376.501 0.989 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000614857402 1197390941 /nfs/dbraw/zinc/39/09/41/1197390941.db2.gz BCMRLQRRMZNHGK-KRWDZBQOSA-N 0 3 397.541 0.663 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CNC2(c3ccccc3)CCOCC2)CC1 ZINC000532706394 1197393650 /nfs/dbraw/zinc/39/36/50/1197393650.db2.gz FPGSACFKKVZTML-UHFFFAOYSA-N 0 3 388.512 0.514 20 0 GCADHN Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000060628173 1197395719 /nfs/dbraw/zinc/39/57/19/1197395719.db2.gz ZRGPLXLNTNYISK-MRXNPFEDSA-N 0 3 391.497 0.479 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CCCn2ccnn2)CC1 ZINC001746135556 1197400870 /nfs/dbraw/zinc/40/08/70/1197400870.db2.gz YAIRSTMQYCNIDH-UHFFFAOYSA-N 0 3 389.508 0.259 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2(C3(O)CCC3)CCC2)CC1 ZINC000897495126 1197402490 /nfs/dbraw/zinc/40/24/90/1197402490.db2.gz WBMFXRKKSYQYCI-KRWDZBQOSA-N 0 3 394.560 0.578 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000897495178 1197402718 /nfs/dbraw/zinc/40/27/18/1197402718.db2.gz XGDPLGXLAALRHW-KURKYZTESA-N 0 3 380.533 0.404 20 0 GCADHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000532759010 1197409368 /nfs/dbraw/zinc/40/93/68/1197409368.db2.gz YWYYHBKFUPCARZ-ZBFHGGJFSA-N 0 3 398.463 0.930 20 0 GCADHN CS[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C(C)(C)C ZINC000419118843 1197411055 /nfs/dbraw/zinc/41/10/55/1197411055.db2.gz JDTPUKPUGGQXEP-KGLIPLIRSA-N 0 3 382.534 0.794 20 0 GCADHN O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000532882803 1197417537 /nfs/dbraw/zinc/41/75/37/1197417537.db2.gz FLOLGBHWDPVROF-LSDHHAIUSA-N 0 3 384.488 0.877 20 0 GCADHN CCC(=O)N1CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000532925061 1197421103 /nfs/dbraw/zinc/42/11/03/1197421103.db2.gz GJHLCUCZNDMYCE-UHFFFAOYSA-N 0 3 382.486 0.607 20 0 GCADHN COC[C@]1(C(=O)OC)CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000454649594 1197424381 /nfs/dbraw/zinc/42/43/81/1197424381.db2.gz LCWZPIURPLUZBH-BEFAXECRSA-N 0 3 398.504 0.150 20 0 GCADHN CC(C)CCn1nccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000533003246 1197425877 /nfs/dbraw/zinc/42/58/77/1197425877.db2.gz MAVPCVCINJJOTL-INIZCTEOSA-N 0 3 378.521 0.867 20 0 GCADHN O=S(=O)(NCC1(N2CCCC2)CCOCC1)c1cnn([C@H]2CCOC2)c1 ZINC000533097553 1197431705 /nfs/dbraw/zinc/43/17/05/1197431705.db2.gz KUDHPFBHTYGOSP-HNNXBMFYSA-N 0 3 384.502 0.768 20 0 GCADHN CCOC(=O)Cn1cccc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1=O ZINC000533161034 1197435214 /nfs/dbraw/zinc/43/52/14/1197435214.db2.gz JEBPYISTYGPNBR-HNNXBMFYSA-N 0 3 394.472 0.986 20 0 GCADHN C[C@H](CO)N1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000470088286 1197435705 /nfs/dbraw/zinc/43/57/05/1197435705.db2.gz RKGWRWONJKEOOH-OAHLLOKOSA-N 0 3 381.498 0.755 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c(C)o1 ZINC000533174018 1197437027 /nfs/dbraw/zinc/43/70/27/1197437027.db2.gz BZABAVAXAFKMFM-GFCCVEGCSA-N 0 3 387.458 0.240 20 0 GCADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000533224277 1197439880 /nfs/dbraw/zinc/43/98/80/1197439880.db2.gz JQJDMGYKDKCZPU-INIZCTEOSA-N 0 3 389.566 0.126 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000245941171 1197440164 /nfs/dbraw/zinc/44/01/64/1197440164.db2.gz UWGLOCDISNDNOG-MSOLQXFVSA-N 0 3 380.533 0.642 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000533355824 1197447569 /nfs/dbraw/zinc/44/75/69/1197447569.db2.gz UFUTVDDAVSKFQE-CQSZACIVSA-N 0 3 395.485 0.152 20 0 GCADHN CS(=O)(=O)N1CCc2c1cccc2NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000455139807 1197447857 /nfs/dbraw/zinc/44/78/57/1197447857.db2.gz HHEHBQXASPRKRV-AWEZNQCLSA-N 0 3 396.513 0.977 20 0 GCADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)NCCN2CCC(C)CC2)c1=O ZINC000533593642 1197461207 /nfs/dbraw/zinc/46/12/07/1197461207.db2.gz ZKACKMPZAWXSNM-UHFFFAOYSA-N 0 3 392.456 0.198 20 0 GCADHN C[C@H](CNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)S(C)(=O)=O ZINC000533641093 1197463833 /nfs/dbraw/zinc/46/38/33/1197463833.db2.gz JPEZQDDAJLYTSA-QGZVFWFLSA-N 0 3 396.557 0.879 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc3c(c2)C(=O)CCC3)no1)C(N)=O ZINC001211998239 1197465253 /nfs/dbraw/zinc/46/52/53/1197465253.db2.gz JVGUHBKYXZFPMV-IINYFYTJSA-N 0 3 385.424 0.506 20 0 GCADHN COc1c(F)ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c1F ZINC001211998213 1197465479 /nfs/dbraw/zinc/46/54/79/1197465479.db2.gz IKKJHTLOCKSVFE-OIBJUYFYSA-N 0 3 383.355 0.273 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(-c3cnco3)cc2)no1)C(N)=O ZINC001211998637 1197466262 /nfs/dbraw/zinc/46/62/62/1197466262.db2.gz UWJVYDQJBISXEC-GXFFZTMASA-N 0 3 384.396 0.642 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)NCC(C)(C)N2CCOCC2)C[C@H](C)O1 ZINC000066961288 1197467588 /nfs/dbraw/zinc/46/75/88/1197467588.db2.gz DCKRMCSIKJNRDJ-OTWHNJEPSA-N 0 3 396.576 0.787 20 0 GCADHN CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000069229400 1197468666 /nfs/dbraw/zinc/46/86/66/1197468666.db2.gz OVCPAVQXUVZSON-MOPGFXCFSA-N 0 3 388.512 0.586 20 0 GCADHN CC(C)(CNC(=O)CN1CCC[C@@H](CN2CCOCC2)C1)N1CCOCC1 ZINC000069803450 1197469119 /nfs/dbraw/zinc/46/91/19/1197469119.db2.gz QKVDQCHECRTYPD-SFHVURJKSA-N 0 3 382.549 0.258 20 0 GCADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)c1nc(-c2cccc(-c3ccccn3)n2)no1 ZINC001212023117 1197475601 /nfs/dbraw/zinc/47/56/01/1197475601.db2.gz QYTKGQMQVDGRNC-HZMBPMFUSA-N 0 3 381.396 0.574 20 0 GCADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)c1nc(-c2ccc(F)c3c2C(=O)CC3)no1 ZINC001212023112 1197475785 /nfs/dbraw/zinc/47/57/85/1197475785.db2.gz QUJPDUVKOHFSDT-CPCISQLKSA-N 0 3 375.360 0.385 20 0 GCADHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)CN(C)c2ncnc3[nH]cnc32)C[C@H](C)O1 ZINC000250575389 1197484407 /nfs/dbraw/zinc/48/44/07/1197484407.db2.gz ZCABUOGQZDENPM-QLFBSQMISA-N 0 3 387.488 0.889 20 0 GCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CCN1Cc1ccccc1 ZINC000614903043 1197486076 /nfs/dbraw/zinc/48/60/76/1197486076.db2.gz OSXSLISJOQZIQW-DJIMGWMZSA-N 0 3 380.514 0.681 20 0 GCADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C1CC1)C1CCCC1 ZINC001482752488 1197487211 /nfs/dbraw/zinc/48/72/11/1197487211.db2.gz JSSOLGMGAJBFEW-SGTQZHETSA-N 0 3 391.512 0.410 20 0 GCADHN CN(CCCN(C)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)Cc1ccncc1 ZINC000614928224 1197488447 /nfs/dbraw/zinc/48/84/47/1197488447.db2.gz LHAHMMOPIFMLQU-MRXNPFEDSA-N 0 3 383.518 0.277 20 0 GCADHN CCCN(CCN1CCCCCC1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000614940420 1197490216 /nfs/dbraw/zinc/49/02/16/1197490216.db2.gz OZXHJQOIFMVDIZ-UHFFFAOYSA-N 0 3 398.529 0.970 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000897528789 1197491950 /nfs/dbraw/zinc/49/19/50/1197491950.db2.gz CDQRYEBFORQHCQ-KRWDZBQOSA-N 0 3 397.516 0.305 20 0 GCADHN Cc1cc(NC(=O)CNCC[C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n(C)n1 ZINC001482855293 1197494535 /nfs/dbraw/zinc/49/45/35/1197494535.db2.gz CGQFOCCPGYAWTD-ODRUYCQJSA-N 0 3 375.473 0.575 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000533718639 1197495149 /nfs/dbraw/zinc/49/51/49/1197495149.db2.gz KBEDNASUPARNEZ-CVEARBPZSA-N 0 3 376.505 0.862 20 0 GCADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)CC1)C(C)C ZINC001746322045 1197498593 /nfs/dbraw/zinc/49/85/93/1197498593.db2.gz RPPACCLZXDSALJ-UHFFFAOYSA-N 0 3 395.533 0.644 20 0 GCADHN COc1nccc(-c2noc([C@@H]3CCCN3C(=O)[C@@H](N)CCC(N)=O)n2)c1F ZINC001212076886 1197502025 /nfs/dbraw/zinc/50/20/25/1197502025.db2.gz XZMYHXXLRMZKMR-QWRGUYRKSA-N 0 3 392.391 0.536 20 0 GCADHN Cn1ncc2cc(-c3noc([C@@H]4CCCN4C(=O)[C@@H](N)CCC(N)=O)n3)ccc21 ZINC001212076760 1197502132 /nfs/dbraw/zinc/50/21/32/1197502132.db2.gz RPIVDJOQNXFPKO-ZFWWWQNUSA-N 0 3 397.439 0.880 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)c1ccc2cncn2c1 ZINC000988757431 1197505189 /nfs/dbraw/zinc/50/51/89/1197505189.db2.gz UVSQRIHRZVSPNS-KJWYOANISA-N 0 3 385.468 0.773 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3cnn(CC4CC4)c3)C2)CC1 ZINC000611367749 1197509413 /nfs/dbraw/zinc/50/94/13/1197509413.db2.gz XBPJKLIIDVIOQX-SFHVURJKSA-N 0 3 388.516 0.859 20 0 GCADHN COCCNCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000261718692 1197512613 /nfs/dbraw/zinc/51/26/13/1197512613.db2.gz FQAOQVVHWQVSMR-UHFFFAOYSA-N 0 3 391.493 0.909 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000261766029 1197514177 /nfs/dbraw/zinc/51/41/77/1197514177.db2.gz NLMXFPWOWHGYLQ-LJQANCHMSA-N 0 3 398.511 0.837 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000261801832 1197515298 /nfs/dbraw/zinc/51/52/98/1197515298.db2.gz RONUFFOAULMQMG-IBGZPJMESA-N 0 3 382.512 0.711 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)o1 ZINC000261853462 1197516348 /nfs/dbraw/zinc/51/63/48/1197516348.db2.gz RTPFOFJGEWVLNS-GFCCVEGCSA-N 0 3 399.391 0.489 20 0 GCADHN Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCNC[C@@H]2c2nccn2C)c1 ZINC000261854840 1197516596 /nfs/dbraw/zinc/51/65/96/1197516596.db2.gz YMWMNUAYLLSOOD-MRXNPFEDSA-N 0 3 399.434 0.428 20 0 GCADHN COc1ccccc1NC(=O)C1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000262014549 1197522807 /nfs/dbraw/zinc/52/28/07/1197522807.db2.gz FRQHMPLYVLHKCU-SFHVURJKSA-N 0 3 390.484 0.972 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000262029665 1197523047 /nfs/dbraw/zinc/52/30/47/1197523047.db2.gz GTHPAFATAVDUSB-KRWDZBQOSA-N 0 3 396.513 0.055 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000262087998 1197524915 /nfs/dbraw/zinc/52/49/15/1197524915.db2.gz LFOSQSFCDSOYTI-KRWDZBQOSA-N 0 3 378.448 0.600 20 0 GCADHN O=C(CN1CCN(CCC(=O)N2CCNCC2)CC1)Nc1ccccc1Cl ZINC000262194721 1197527168 /nfs/dbraw/zinc/52/71/68/1197527168.db2.gz RUXODOKGWTWKJF-UHFFFAOYSA-N 0 3 393.919 0.718 20 0 GCADHN O=C(NC[C@H]1NCCc2ccccc21)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262303588 1197529318 /nfs/dbraw/zinc/52/93/18/1197529318.db2.gz BXFFYDQYKQFYNM-PKOBYXMFSA-N 0 3 386.496 0.170 20 0 GCADHN CCN1CCN(CCC(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)CC1 ZINC000615097893 1197530938 /nfs/dbraw/zinc/53/09/38/1197530938.db2.gz KYXCYOHZIGSFFZ-GOSISDBHSA-N 0 3 384.590 0.680 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000262464877 1197532308 /nfs/dbraw/zinc/53/23/08/1197532308.db2.gz XRNKWXMILJKWBA-LRDDRELGSA-N 0 3 377.470 0.090 20 0 GCADHN NS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000615108220 1197550670 /nfs/dbraw/zinc/55/06/70/1197550670.db2.gz LDPMFIUUDZWFDL-GOEBONIOSA-N 0 3 382.486 0.107 20 0 GCADHN C[C@@H](NC(=O)c1csc(-c2nc[nH]n2)n1)C(=O)NCCN1CCCCC1 ZINC000508703911 1197554461 /nfs/dbraw/zinc/55/44/61/1197554461.db2.gz OTMIBXFENFWNRV-LLVKDONJSA-N 0 3 377.474 0.649 20 0 GCADHN C[C@@H](NC(=O)CNC(=O)Cc1cccc(F)c1)C(=O)NCCN1CCCCC1 ZINC000508704939 1197554924 /nfs/dbraw/zinc/55/49/24/1197554924.db2.gz YGOLWVMWNBQXTM-OAHLLOKOSA-N 0 3 392.475 0.591 20 0 GCADHN C[C@@H](NC(=O)c1cn(CC2(C)COC2)nn1)C(=O)NCCN1CCCCC1 ZINC000508715221 1197556001 /nfs/dbraw/zinc/55/60/01/1197556001.db2.gz ABHVUZMWFVQWBD-CQSZACIVSA-N 0 3 378.477 0.035 20 0 GCADHN CCN(CC)C(=O)CN1CCCN(C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000455653355 1197560190 /nfs/dbraw/zinc/56/01/90/1197560190.db2.gz APNGATMRQBJXGQ-UHFFFAOYSA-N 0 3 393.536 0.853 20 0 GCADHN O=C(NCCN1CC[NH2+]CC1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000428648554 1197567379 /nfs/dbraw/zinc/56/73/79/1197567379.db2.gz JDLAFHXTAIKHSC-UHFFFAOYSA-N 0 3 395.460 0.590 20 0 GCADHN COC(=O)c1cccc(NC(=O)C[C@H](C)NCC(=O)N2CCN(C)CC2)c1 ZINC000611963290 1197568292 /nfs/dbraw/zinc/56/82/92/1197568292.db2.gz HCLWLMLRESJECX-AWEZNQCLSA-N 0 3 376.457 0.554 20 0 GCADHN CN(C)[C@@H](CNC(=O)CCn1cc(S(N)(=O)=O)cn1)Cc1ccccc1 ZINC000533810804 1197569099 /nfs/dbraw/zinc/56/90/99/1197569099.db2.gz GKZVPKGFHGOZTK-OAHLLOKOSA-N 0 3 379.486 0.210 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000429766778 1197576423 /nfs/dbraw/zinc/57/64/23/1197576423.db2.gz PUXBHWGNWATTSX-CABCVRRESA-N 0 3 396.513 0.688 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000332960121 1197578290 /nfs/dbraw/zinc/57/82/90/1197578290.db2.gz QWPSWFIGGIBLRC-HOTGVXAUSA-N 0 3 388.468 0.774 20 0 GCADHN CC(=O)N[C@@H]1CCCN(C(=O)CNC2(C(N)=O)C3CC4CC(C3)CC2C4)C1 ZINC000459781376 1197587848 /nfs/dbraw/zinc/58/78/48/1197587848.db2.gz SJMHBIYXXKRSRB-XQYHGENGSA-N 0 3 376.501 0.383 20 0 GCADHN O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000671994554 1198964744 /nfs/dbraw/zinc/96/47/44/1198964744.db2.gz SESBMIAYNBIXIY-KRWDZBQOSA-N 0 3 390.459 0.201 20 0 GCADHN O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)C2 ZINC000999782833 1198977206 /nfs/dbraw/zinc/97/72/06/1198977206.db2.gz OSYLSDPCZCMLHC-SWHYSGLUSA-N 0 3 381.396 0.491 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000265717813 1198984648 /nfs/dbraw/zinc/98/46/48/1198984648.db2.gz FRQXGJPJTULQHH-MRXNPFEDSA-N 0 3 389.504 0.239 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC[C@]23CCN(CCC(F)(F)F)C3=O)CC1 ZINC001272838075 1199024600 /nfs/dbraw/zinc/02/46/00/1199024600.db2.gz YDNXGKRPHWKXSJ-OAHLLOKOSA-N 0 3 377.407 0.989 20 0 GCADHN CC(=O)N[C@@H](CO)C(=O)N1CCC[C@]2(CCN(Cc3scnc3C)C2)C1 ZINC001272856659 1199032141 /nfs/dbraw/zinc/03/21/41/1199032141.db2.gz ZVEKWVIJYVSBTN-MAUKXSAKSA-N 0 3 380.514 0.763 20 0 GCADHN O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000624745067 1199037132 /nfs/dbraw/zinc/03/71/32/1199037132.db2.gz YXSZLLIJRRVGAD-INIZCTEOSA-N 0 3 389.452 0.858 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1 ZINC000542818291 1199064923 /nfs/dbraw/zinc/06/49/23/1199064923.db2.gz ZSCKGWGZLOIXIA-UHFFFAOYSA-N 0 3 388.516 0.764 20 0 GCADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000542822833 1199066932 /nfs/dbraw/zinc/06/69/32/1199066932.db2.gz NOCSIQFWCBEMLS-DLBZAZTESA-N 0 3 393.532 0.211 20 0 GCADHN C[C@H](CNC(=O)NCc1cccc(CS(C)(=O)=O)c1)CN1CCN(C)CC1 ZINC000465790122 1199066969 /nfs/dbraw/zinc/06/69/69/1199066969.db2.gz RWPQCCQYXHJODG-MRXNPFEDSA-N 0 3 396.557 0.914 20 0 GCADHN C[C@H]1Cc2cc(S(=O)(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)ccc2O1 ZINC000268771945 1199076565 /nfs/dbraw/zinc/07/65/65/1199076565.db2.gz FHSXMEXROMBIQE-WMLDXEAASA-N 0 3 393.509 0.937 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1 ZINC000268886782 1199087585 /nfs/dbraw/zinc/08/75/85/1199087585.db2.gz CDRVKLOMQBEERS-INIZCTEOSA-N 0 3 386.452 0.685 20 0 GCADHN Cc1nnc(NC(=O)CNCC[C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1 ZINC001272921733 1199104321 /nfs/dbraw/zinc/10/43/21/1199104321.db2.gz VDEGIHIOFMAIDW-KEFKHEOASA-N 0 3 379.486 0.693 20 0 GCADHN O=C(CN1CCOCC1)N1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000624784956 1199108689 /nfs/dbraw/zinc/10/86/89/1199108689.db2.gz SBDRIMPYPMVUTR-SFHVURJKSA-N 0 3 393.532 0.189 20 0 GCADHN CCO[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672110758 1199108936 /nfs/dbraw/zinc/10/89/36/1199108936.db2.gz AZFNFAZAFIWZKE-HZPDHXFCSA-N 0 3 382.505 0.073 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)CC1=O ZINC000265751845 1199120916 /nfs/dbraw/zinc/12/09/16/1199120916.db2.gz AFHMKSKWYDBKTF-YJBOKZPZSA-N 0 3 398.467 0.616 20 0 GCADHN C[C@H](CNC(=O)Nc1ccccc1OCCC(N)=O)CN1CCN(C)CC1 ZINC000265756025 1199125949 /nfs/dbraw/zinc/12/59/49/1199125949.db2.gz DWUUWXAFXVTMGN-OAHLLOKOSA-N 0 3 377.489 0.946 20 0 GCADHN Cn1cc(CNC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCCO2)cn1 ZINC001078434823 1199129296 /nfs/dbraw/zinc/12/92/96/1199129296.db2.gz SQKUPOFLCGSEEZ-XWTMOSNGSA-N 0 3 378.473 0.179 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CN2c3ccccc3CCC2=O)CC1 ZINC000110684268 1199136742 /nfs/dbraw/zinc/13/67/42/1199136742.db2.gz RUFHOPPURFXYMG-GOSISDBHSA-N 0 3 384.480 0.907 20 0 GCADHN COCCN1CC[C@H](NC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000265767675 1199144150 /nfs/dbraw/zinc/14/41/50/1199144150.db2.gz SBAYATIIXGANLY-INIZCTEOSA-N 0 3 376.457 0.580 20 0 GCADHN Cn1cc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000172698046 1199144224 /nfs/dbraw/zinc/14/42/24/1199144224.db2.gz WLMOFUBRCXAYTE-GOSISDBHSA-N 0 3 384.484 0.505 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)CC1 ZINC000265769852 1199149519 /nfs/dbraw/zinc/14/95/19/1199149519.db2.gz DQRYIXHFACJMDQ-POAQFYNOSA-N 0 3 387.528 0.991 20 0 GCADHN CN(C[C@@H](O)CNCC(=O)NC1CCOCC1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001486278204 1199157418 /nfs/dbraw/zinc/15/74/18/1199157418.db2.gz MBRRARMHMDBTFJ-MXSMSXNCSA-N 0 3 379.501 0.293 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672204487 1199159228 /nfs/dbraw/zinc/15/92/28/1199159228.db2.gz KBYITMPNGQDIIF-IAGOWNOFSA-N 0 3 378.517 0.884 20 0 GCADHN CN(C[C@@H](O)CNCC(=O)N(C)C1CCCCC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001486300826 1199159563 /nfs/dbraw/zinc/15/95/63/1199159563.db2.gz GOBORDDUJLLKQQ-MLHJIOFPSA-N 0 3 381.517 0.754 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000465905477 1199160925 /nfs/dbraw/zinc/16/09/25/1199160925.db2.gz XBECOCSYIKDJPR-DLBZAZTESA-N 0 3 380.493 0.416 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000465905481 1199161427 /nfs/dbraw/zinc/16/14/27/1199161427.db2.gz XBECOCSYIKDJPR-IAGOWNOFSA-N 0 3 380.493 0.416 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)n1 ZINC000672226096 1199163276 /nfs/dbraw/zinc/16/32/76/1199163276.db2.gz ZCRFTUWMWRZDIS-AAEUAGOBSA-N 0 3 389.464 0.436 20 0 GCADHN CC(C)(C)[C@@H](CNCC(=O)N1CCOCC1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001486404546 1199166907 /nfs/dbraw/zinc/16/69/07/1199166907.db2.gz FXZBVLOXTFUUIS-LISAXSMJSA-N 0 3 381.517 0.781 20 0 GCADHN COCCN1CC[C@@H](NC(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1 ZINC000265776045 1199166942 /nfs/dbraw/zinc/16/69/42/1199166942.db2.gz UJZYSMDYQZORNQ-MRXNPFEDSA-N 0 3 396.513 0.764 20 0 GCADHN CC1(C)[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)[C@@H]2CCCO[C@H]21 ZINC000465921408 1199176939 /nfs/dbraw/zinc/17/69/39/1199176939.db2.gz CWGLBKOPWSUXBV-RCCFBDPRSA-N 0 3 382.549 0.879 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)ccc1C ZINC000265779928 1199178509 /nfs/dbraw/zinc/17/85/09/1199178509.db2.gz GOODASGQEZCPMO-CYBMUJFWSA-N 0 3 382.486 0.252 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1COc2c(cccc2OC)C1 ZINC000672266945 1199178799 /nfs/dbraw/zinc/17/87/99/1199178799.db2.gz IVLPFRZZVILPHG-HNNXBMFYSA-N 0 3 379.457 0.199 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000656356205 1199188173 /nfs/dbraw/zinc/18/81/73/1199188173.db2.gz RNTPPYHVJJVNEV-RBUKOAKNSA-N 0 3 392.544 0.690 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000656356155 1199188395 /nfs/dbraw/zinc/18/83/95/1199188395.db2.gz RFRWQOHPCRDQHZ-KSZLIROESA-N 0 3 378.517 0.443 20 0 GCADHN CSC1(CNC(=O)NCCCCN2CCN(CCO)CC2)CCOCC1 ZINC000465936267 1199194679 /nfs/dbraw/zinc/19/46/79/1199194679.db2.gz SDLPYCPFKNDTNK-UHFFFAOYSA-N 0 3 388.578 0.588 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000672305283 1199196418 /nfs/dbraw/zinc/19/64/18/1199196418.db2.gz JLVSFXGUKFCBOJ-ZDUSSCGKSA-N 0 3 394.413 0.632 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000672305221 1199196599 /nfs/dbraw/zinc/19/65/99/1199196599.db2.gz GPYGCFMTZDSRFL-HUUCEWRRSA-N 0 3 375.448 0.516 20 0 GCADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)N[C@H]1CCN(CC3CC3)C1)n2C ZINC000672304546 1199196940 /nfs/dbraw/zinc/19/69/40/1199196940.db2.gz XHPVGTBJTVORIU-AWEZNQCLSA-N 0 3 385.468 0.799 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000672304746 1199197085 /nfs/dbraw/zinc/19/70/85/1199197085.db2.gz IUEGPONQACSFEB-JKSUJKDBSA-N 0 3 386.500 0.989 20 0 GCADHN CN(CCCNC(=O)CN1CCN(CC2CCCCC2)CC1)S(C)(=O)=O ZINC000064130380 1199197128 /nfs/dbraw/zinc/19/71/28/1199197128.db2.gz ZRVVSFLVTWCQMV-UHFFFAOYSA-N 0 3 388.578 0.582 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)no1 ZINC000672307612 1199198880 /nfs/dbraw/zinc/19/88/80/1199198880.db2.gz GSCVALKHSPPVDU-MRXNPFEDSA-N 0 3 375.473 0.228 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)on1 ZINC000672306747 1199200568 /nfs/dbraw/zinc/20/05/68/1199200568.db2.gz WXXGTLDUFIRSGP-INIZCTEOSA-N 0 3 375.473 0.228 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000672311222 1199201104 /nfs/dbraw/zinc/20/11/04/1199201104.db2.gz BLEKJPXMYAZELV-FQEVSTJZSA-N 0 3 384.524 0.974 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)cs1 ZINC000672309886 1199201517 /nfs/dbraw/zinc/20/15/17/1199201517.db2.gz ZLYGJDDDZHYJNJ-MRXNPFEDSA-N 0 3 391.541 0.696 20 0 GCADHN C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672311925 1199202513 /nfs/dbraw/zinc/20/25/13/1199202513.db2.gz VYJGDLXHNXKPHL-HOCLYGCPSA-N 0 3 391.541 0.949 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000672312079 1199203014 /nfs/dbraw/zinc/20/30/14/1199203014.db2.gz ZEIQFALUKLPZDY-HOCLYGCPSA-N 0 3 388.443 0.648 20 0 GCADHN COCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000672358017 1199215776 /nfs/dbraw/zinc/21/57/76/1199215776.db2.gz NXFNFBGSGSEDGV-OALUTQOASA-N 0 3 388.512 0.556 20 0 GCADHN CCN(CC)S(=O)(=O)CCNC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000465948701 1199216824 /nfs/dbraw/zinc/21/68/24/1199216824.db2.gz DFXFKMQYSNXYCP-INIZCTEOSA-N 0 3 391.582 0.231 20 0 GCADHN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)CC2 ZINC000672399149 1199227400 /nfs/dbraw/zinc/22/74/00/1199227400.db2.gz IISQEMZFEGUBFC-IBGZPJMESA-N 0 3 398.507 0.865 20 0 GCADHN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCCN(C3CCCC3)CC1)CC2 ZINC000672417445 1199231748 /nfs/dbraw/zinc/23/17/48/1199231748.db2.gz KOHOYPLANCSRMQ-OAHLLOKOSA-N 0 3 388.516 0.748 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000672442469 1199234599 /nfs/dbraw/zinc/23/45/99/1199234599.db2.gz XNBWOFPROHZNQJ-IAGOWNOFSA-N 0 3 397.516 0.398 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000672442468 1199234922 /nfs/dbraw/zinc/23/49/22/1199234922.db2.gz XNBWOFPROHZNQJ-DLBZAZTESA-N 0 3 397.516 0.398 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCn3cnnc3[C@@H]2C)CC1 ZINC000672442199 1199235043 /nfs/dbraw/zinc/23/50/43/1199235043.db2.gz DWLGOBYBXUPOIT-ZDUSSCGKSA-N 0 3 378.477 0.187 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)c1ccn(C)n1)C(=O)c1ccn(C)n1 ZINC000672466863 1199240890 /nfs/dbraw/zinc/24/08/90/1199240890.db2.gz HVASJMWCGKRIHK-UHFFFAOYSA-N 0 3 387.488 0.464 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1nn(C)c2ccccc12 ZINC000672548413 1199267152 /nfs/dbraw/zinc/26/71/52/1199267152.db2.gz HAYRRGSLENRSOW-OAHLLOKOSA-N 0 3 387.484 0.759 20 0 GCADHN CC(C)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1=O ZINC000672657409 1199311595 /nfs/dbraw/zinc/31/15/95/1199311595.db2.gz CXSIXVUDYBSFIA-MSOLQXFVSA-N 0 3 386.496 0.845 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000672698254 1199318394 /nfs/dbraw/zinc/31/83/94/1199318394.db2.gz NMGROTYNPMALTR-LSDHHAIUSA-N 0 3 390.488 0.022 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)N[C@@H](CC)CN3CCCC3)CC2)n1 ZINC000672698018 1199318470 /nfs/dbraw/zinc/31/84/70/1199318470.db2.gz HEWBMOCFHGIUTB-AWEZNQCLSA-N 0 3 394.545 0.740 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000672698581 1199318768 /nfs/dbraw/zinc/31/87/68/1199318768.db2.gz GSTUGECHVJLTQD-HNNXBMFYSA-N 0 3 378.452 0.255 20 0 GCADHN Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000672724400 1199321518 /nfs/dbraw/zinc/32/15/18/1199321518.db2.gz ZKYLEXXWNAVEEN-ZDUSSCGKSA-N 0 3 391.472 0.235 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000542998302 1199335400 /nfs/dbraw/zinc/33/54/00/1199335400.db2.gz KTPYVIFGLVOLLW-UHFFFAOYSA-N 0 3 399.495 0.666 20 0 GCADHN COc1c(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cccc1C(N)=O ZINC000543001382 1199340102 /nfs/dbraw/zinc/34/01/02/1199340102.db2.gz NRIPKUMCZSWXPK-KRWDZBQOSA-N 0 3 380.470 0.286 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(N)=O)CC1)N1CCCCC1 ZINC001002919383 1199341738 /nfs/dbraw/zinc/34/17/38/1199341738.db2.gz HCKIBSWBIHRBSY-KFWWJZLASA-N 0 3 376.501 0.765 20 0 GCADHN CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2)N1CCCCC1 ZINC001002933182 1199345664 /nfs/dbraw/zinc/34/56/64/1199345664.db2.gz KABHAYQCHCCLMR-KFWWJZLASA-N 0 3 375.477 0.186 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N(CCO)CCc2ccccc2)CC1(C)C ZINC000672854637 1199352044 /nfs/dbraw/zinc/35/20/44/1199352044.db2.gz SINVGTCXWQENHM-UHFFFAOYSA-N 0 3 390.528 0.192 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC000672854559 1199352447 /nfs/dbraw/zinc/35/24/47/1199352447.db2.gz WEEZZSGIAHWFFH-QWHCGFSZSA-N 0 3 394.438 0.307 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCOC[C@@H]2c2ccco2)CC1(C)C ZINC000672854493 1199352642 /nfs/dbraw/zinc/35/26/42/1199352642.db2.gz AZQMUJYHZHVPBG-OAHLLOKOSA-N 0 3 378.473 0.322 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)CC1(C)C ZINC000672854905 1199353569 /nfs/dbraw/zinc/35/35/69/1199353569.db2.gz JNLDQQYGVHRIMU-MRXNPFEDSA-N 0 3 376.505 0.189 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC000466021785 1199363973 /nfs/dbraw/zinc/36/39/73/1199363973.db2.gz YTRYFKUDWIQVTP-WBVHZDCISA-N 0 3 377.537 0.722 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCc3nnc(C)n3C2)CC1 ZINC000466021783 1199364331 /nfs/dbraw/zinc/36/43/31/1199364331.db2.gz YTRYFKUDWIQVTP-NVXWUHKLSA-N 0 3 377.537 0.722 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000078484612 1199397157 /nfs/dbraw/zinc/39/71/57/1199397157.db2.gz CGLUOTAOXAIDMY-CQSZACIVSA-N 0 3 377.489 0.448 20 0 GCADHN COc1ccc([C@H](CN(C)C)NC(=O)NC2CC(NS(C)(=O)=O)C2)cc1 ZINC000673061465 1199407425 /nfs/dbraw/zinc/40/74/25/1199407425.db2.gz HOYAKULUNILLMK-XUJLQICISA-N 0 3 384.502 0.677 20 0 GCADHN Cc1nc(C)c(CCC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c(=O)[n-]1 ZINC000066464287 1199411746 /nfs/dbraw/zinc/41/17/46/1199411746.db2.gz XPOOUKDISKPPLM-UHFFFAOYSA-N 0 3 399.495 0.927 20 0 GCADHN CC[C@H](NC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000543063530 1199412852 /nfs/dbraw/zinc/41/28/52/1199412852.db2.gz QLLRYJLYLQVFNC-KKBFJZEXSA-N 0 3 385.530 0.845 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1noc3c1COCC3)C2)N(C)C ZINC001003185617 1199443294 /nfs/dbraw/zinc/44/32/94/1199443294.db2.gz FRLALTMFRVNPFL-RZFFKMDDSA-N 0 3 376.457 0.949 20 0 GCADHN CCN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(N(C)C)CCC2)C1 ZINC001003193718 1199450778 /nfs/dbraw/zinc/45/07/78/1199450778.db2.gz NFLZKDODHHMXTC-WCXIOVBPSA-N 0 3 378.517 0.440 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000673148209 1199457428 /nfs/dbraw/zinc/45/74/28/1199457428.db2.gz PGRMKQBRJZWJTD-QGZVFWFLSA-N 0 3 381.448 0.890 20 0 GCADHN Cc1ccncc1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000673188081 1199466326 /nfs/dbraw/zinc/46/63/26/1199466326.db2.gz FXTOIYHNAQJJQP-RDJZCZTQSA-N 0 3 387.484 0.332 20 0 GCADHN CC(C)[C@@H](CNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1)N1CCOCC1 ZINC000079100270 1199476939 /nfs/dbraw/zinc/47/69/39/1199476939.db2.gz CLLASLXTAYHNNR-RTBURBONSA-N 0 3 383.581 0.914 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC(=O)NC1)C2)C1CCC1 ZINC001003289614 1199479232 /nfs/dbraw/zinc/47/92/32/1199479232.db2.gz YFTCERZMILYWSF-SVGFKBNWSA-N 0 3 376.501 0.635 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCNC2=O)C3)CC1 ZINC001003291672 1199480610 /nfs/dbraw/zinc/48/06/10/1199480610.db2.gz PFXWTYNIZNQDAH-HZMVEIRTSA-N 0 3 376.501 0.493 20 0 GCADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCCCN1CCN(C)CC1 ZINC000067246059 1199499283 /nfs/dbraw/zinc/49/92/83/1199499283.db2.gz FODCHYDWTHYTSZ-KRWDZBQOSA-N 0 3 386.504 0.607 20 0 GCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cnnn1 ZINC001003356031 1199507149 /nfs/dbraw/zinc/50/71/49/1199507149.db2.gz MXDJMQHDAJZVQY-LVQVYYBASA-N 0 3 375.477 0.186 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C(=O)N1c1ccccc1 ZINC000673263703 1199507945 /nfs/dbraw/zinc/50/79/45/1199507945.db2.gz BPXWYSWESWBSNW-BPQIPLTHSA-N 0 3 384.480 0.993 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C(=O)N1c1ccccc1 ZINC000673263705 1199508377 /nfs/dbraw/zinc/50/83/77/1199508377.db2.gz BPXWYSWESWBSNW-NJAFHUGGSA-N 0 3 384.480 0.993 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccccc2OCCOC)CC1 ZINC000067345743 1199513856 /nfs/dbraw/zinc/51/38/56/1199513856.db2.gz WOJVFESTRFOCEE-UHFFFAOYSA-N 0 3 378.473 0.404 20 0 GCADHN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000673292965 1199522991 /nfs/dbraw/zinc/52/29/91/1199522991.db2.gz HNPXYPQAZNRLEI-MRXNPFEDSA-N 0 3 378.517 0.886 20 0 GCADHN Cn1nccc1N1CCC[C@@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1=O ZINC000922173093 1199533940 /nfs/dbraw/zinc/53/39/40/1199533940.db2.gz XWTZGYRBHYLRCI-HZPDHXFCSA-N 0 3 390.488 0.468 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCN(C)C1=O)C2)C1CCC1 ZINC001003470130 1199559055 /nfs/dbraw/zinc/55/90/55/1199559055.db2.gz YUKGXHFJEAVSHK-DZUCGIPZSA-N 0 3 376.501 0.587 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C)nc1OC)C2)N(C)C ZINC001003483771 1199564266 /nfs/dbraw/zinc/56/42/66/1199564266.db2.gz FVGKOXSHVVKVPJ-OJLVUWQFSA-N 0 3 375.473 0.996 20 0 GCADHN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000673356865 1199575006 /nfs/dbraw/zinc/57/50/06/1199575006.db2.gz HJUSBXGZDNULLI-MSOLQXFVSA-N 0 3 390.528 0.981 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)[C@H](C)N3C(=O)CCC3=O)cc2)CC1 ZINC000068107450 1199586869 /nfs/dbraw/zinc/58/68/69/1199586869.db2.gz ABXGWTHQWHDSFE-INIZCTEOSA-N 0 3 386.496 0.978 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000265840052 1199601281 /nfs/dbraw/zinc/60/12/81/1199601281.db2.gz QARLWTYIGBHKAC-QGZVFWFLSA-N 0 3 379.457 0.829 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccsc2C(=O)OC)CC1 ZINC000543237985 1199603245 /nfs/dbraw/zinc/60/32/45/1199603245.db2.gz ATEMCVSPCZKILB-GFCCVEGCSA-N 0 3 382.486 0.615 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1)C1=CCN(C)CC1 ZINC000673417936 1199613701 /nfs/dbraw/zinc/61/37/01/1199613701.db2.gz HCUUOUQAADAIIA-ZFWWWQNUSA-N 0 3 375.448 0.682 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1)C1=CCN(C)CC1 ZINC000673417935 1199613740 /nfs/dbraw/zinc/61/37/40/1199613740.db2.gz HCUUOUQAADAIIA-UKRRQHHQSA-N 0 3 375.448 0.682 20 0 GCADHN CN(C)S(=O)(=O)CC(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000543283104 1199627811 /nfs/dbraw/zinc/62/78/11/1199627811.db2.gz VFLXHJQLULVEQD-CQSZACIVSA-N 0 3 382.486 0.214 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000116758675 1199632419 /nfs/dbraw/zinc/63/24/19/1199632419.db2.gz NPQARZIJTLUKRF-UHFFFAOYSA-N 0 3 384.484 0.681 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@]2(C)CCNC(=O)C2)C3)CCC1 ZINC001003709658 1199636836 /nfs/dbraw/zinc/63/68/36/1199636836.db2.gz BFIOMCXIEWGHJH-BKEDOTJMSA-N 0 3 376.501 0.635 20 0 GCADHN C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCO1 ZINC000673433969 1199642340 /nfs/dbraw/zinc/64/23/40/1199642340.db2.gz CGICOPOPCXTRAY-BRWVUGGUSA-N 0 3 394.516 0.073 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[C@@H]2CCCCO2)CC1 ZINC000673441024 1199650518 /nfs/dbraw/zinc/65/05/18/1199650518.db2.gz IHHVGFXZLLFTLC-KRWDZBQOSA-N 0 3 396.532 0.465 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)C2)N(C)C ZINC001003769976 1199657565 /nfs/dbraw/zinc/65/75/65/1199657565.db2.gz SJCJOGFZFCKAHB-OWYFMNJBSA-N 0 3 379.505 0.364 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C3)CCC1 ZINC001003769419 1199657569 /nfs/dbraw/zinc/65/75/69/1199657569.db2.gz LTQCNBPOFWHWKD-KBXIAJHMSA-N 0 3 377.489 0.262 20 0 GCADHN Cc1nnc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@H]3CCCN3C)cn12 ZINC001003809504 1199674257 /nfs/dbraw/zinc/67/42/57/1199674257.db2.gz XNOHMOARHRXKSV-WCXIOVBPSA-N 0 3 382.468 0.994 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CN(C)C)on1)C2)N(C)C ZINC001003808266 1199675876 /nfs/dbraw/zinc/67/58/76/1199675876.db2.gz KVBLAMNEJVCSKG-WNOSKKOXSA-N 0 3 377.489 0.938 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCN2CCCCC2)[C@H](C)O)cc1 ZINC000499735525 1199680146 /nfs/dbraw/zinc/68/01/46/1199680146.db2.gz SDEKKQPAECZUCW-DOTOQJQBSA-N 0 3 383.514 0.625 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCNC2=O)C3)CCC1 ZINC001003952535 1199722019 /nfs/dbraw/zinc/72/20/19/1199722019.db2.gz XUMLKKWDWZXYAU-KFWWJZLASA-N 0 3 377.489 0.134 20 0 GCADHN O=C(CNC(=O)c1ccccc1OC(F)F)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673510951 1199723947 /nfs/dbraw/zinc/72/39/47/1199723947.db2.gz HHJJTTZETDGEQM-CHWSQXEVSA-N 0 3 383.395 0.685 20 0 GCADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673511624 1199724056 /nfs/dbraw/zinc/72/40/56/1199724056.db2.gz UNUXZDHRLWEYIV-KZNAEPCWSA-N 0 3 388.447 0.572 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC000673516911 1199726342 /nfs/dbraw/zinc/72/63/42/1199726342.db2.gz YTGCLBLSOOCRIU-SJORKVTESA-N 0 3 395.525 0.998 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000673521052 1199727723 /nfs/dbraw/zinc/72/77/23/1199727723.db2.gz IZDXSAZMRGMXFA-QGZVFWFLSA-N 0 3 391.493 0.817 20 0 GCADHN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673514648 1199728855 /nfs/dbraw/zinc/72/88/55/1199728855.db2.gz ZOXCGNRTVAITPN-LSDHHAIUSA-N 0 3 376.848 0.661 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN(C)C1CCC1)N1CCOCC1 ZINC001003968007 1199728874 /nfs/dbraw/zinc/72/88/74/1199728874.db2.gz DULFDWXWFRGIQX-HPBDAGMYSA-N 0 3 378.517 0.440 20 0 GCADHN Cn1nnc2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@@H]3CCCN3C)c21 ZINC001003984071 1199734828 /nfs/dbraw/zinc/73/48/28/1199734828.db2.gz SIDLJGWKFZPELM-VZEFYGNVSA-N 0 3 382.468 0.924 20 0 GCADHN CN1CCN(C[C@H](NC(=O)NCCCN2CCOCC2)c2ccccc2)CC1 ZINC000069864704 1199739713 /nfs/dbraw/zinc/73/97/13/1199739713.db2.gz CLMBCCWQDRAELJ-FQEVSTJZSA-N 0 3 389.544 0.997 20 0 GCADHN COc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1S(=O)(=O)NC(C)C ZINC000673533258 1199741331 /nfs/dbraw/zinc/74/13/31/1199741331.db2.gz LDTKUMSWTPEKCX-HNNXBMFYSA-N 0 3 399.513 0.568 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)ccc2oc1=O ZINC000069918068 1199746921 /nfs/dbraw/zinc/74/69/21/1199746921.db2.gz KYLNFBFMLHNWPZ-ZDUSSCGKSA-N 0 3 396.469 0.519 20 0 GCADHN CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nncn3c1)C2)C1CC1 ZINC001004016854 1199750015 /nfs/dbraw/zinc/75/00/15/1199750015.db2.gz LZQXPCHNWDSJKO-XLMAVXFVSA-N 0 3 382.468 0.931 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000499799587 1199762947 /nfs/dbraw/zinc/76/29/47/1199762947.db2.gz RTKDAXOEBFWOTH-IAGOWNOFSA-N 0 3 388.468 0.724 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000499799590 1199763006 /nfs/dbraw/zinc/76/30/06/1199763006.db2.gz RTKDAXOEBFWOTH-SJORKVTESA-N 0 3 388.468 0.724 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000265859288 1199763494 /nfs/dbraw/zinc/76/34/94/1199763494.db2.gz WUQFKASQDWYLBA-INIZCTEOSA-N 0 3 392.500 0.887 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc4nccn4c2)C3)C1 ZINC001004104592 1199774915 /nfs/dbraw/zinc/77/49/15/1199774915.db2.gz VWMYQUOEZZVWSE-DZUCGIPZSA-N 0 3 382.468 0.933 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4cncn4c2)C3)O1 ZINC001004112705 1199777909 /nfs/dbraw/zinc/77/79/09/1199777909.db2.gz JCTBXFLVIPJJTQ-NPIHVYMDSA-N 0 3 397.479 0.915 20 0 GCADHN CCCn1nc(C)c(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)c1C ZINC000673550513 1199782843 /nfs/dbraw/zinc/78/28/43/1199782843.db2.gz YQXRLPMSQAMWQU-INIZCTEOSA-N 0 3 379.505 0.819 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2)CC1=O ZINC000673549936 1199784273 /nfs/dbraw/zinc/78/42/73/1199784273.db2.gz YJDHPUXZOYRYIA-INIZCTEOSA-N 0 3 376.457 0.229 20 0 GCADHN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000673549934 1199784912 /nfs/dbraw/zinc/78/49/12/1199784912.db2.gz YHOXTWSZLUGBIW-HZPDHXFCSA-N 0 3 382.505 0.073 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccccc2-n2ccnn2)CC1=O ZINC000673550109 1199784922 /nfs/dbraw/zinc/78/49/22/1199784922.db2.gz HZJJZRXGHNUNSC-HNNXBMFYSA-N 0 3 386.456 0.176 20 0 GCADHN CN1CCN(c2ncc(CNCCN3Cc4ccccc4OCC3=O)cn2)CC1 ZINC000922464635 1199796554 /nfs/dbraw/zinc/79/65/54/1199796554.db2.gz XPQMTTUNCXFHCA-UHFFFAOYSA-N 0 3 396.495 0.739 20 0 GCADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000499866853 1199798356 /nfs/dbraw/zinc/79/83/56/1199798356.db2.gz DPJHPEVCFIHQLG-KUHUBIRLSA-N 0 3 389.496 0.535 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000041641265 1199799862 /nfs/dbraw/zinc/79/98/62/1199799862.db2.gz JQWXGEBAFJEIGX-AWEZNQCLSA-N 0 3 396.513 0.171 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 ZINC000922518764 1199807905 /nfs/dbraw/zinc/80/79/05/1199807905.db2.gz PMCYIOIOAWFJQK-NBOOPKSLSA-N 0 3 380.489 0.365 20 0 GCADHN C[C@H](c1ccccc1)[C@@H](NCCC(=O)N1CCN(c2ncccn2)CC1)C(N)=O ZINC000428880824 1199814503 /nfs/dbraw/zinc/81/45/03/1199814503.db2.gz LYSSASCOCXIEIS-VQIMIIECSA-N 0 3 396.495 0.763 20 0 GCADHN O=C(Cn1cnc2c1CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1 ZINC001004220941 1199819186 /nfs/dbraw/zinc/81/91/86/1199819186.db2.gz CUCAXVJZZCONBJ-KYJSFNMBSA-N 0 3 382.468 0.976 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C(N)=O)c1)C2)N(C)C ZINC001004272488 1199832144 /nfs/dbraw/zinc/83/21/44/1199832144.db2.gz OSAHTNHEJBSMDY-HGTKMLMNSA-N 0 3 376.457 0.826 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn4cccnc4n2)C3)C1 ZINC001004286527 1199847257 /nfs/dbraw/zinc/84/72/57/1199847257.db2.gz CPODWJXQACPLPE-ANQUJSFKSA-N 0 3 382.468 0.933 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCCN2C(=O)CC2CCS(=O)(=O)CC2)C1=O ZINC001273038971 1199848093 /nfs/dbraw/zinc/84/80/93/1199848093.db2.gz RXFSWCDQNLDLNY-SFHVURJKSA-N 0 3 385.530 0.356 20 0 GCADHN CCN1C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc2cccc(C)c2)CC1=O ZINC000653450592 1199863600 /nfs/dbraw/zinc/86/36/00/1199863600.db2.gz LYPFDRWGXLLCEM-GOSISDBHSA-N 0 3 388.512 0.870 20 0 GCADHN CN(C)CCN1CC[C@]2(CCCN2C(=O)C2CC(O)(C(F)(F)F)C2)C1=O ZINC001273046994 1199866449 /nfs/dbraw/zinc/86/64/49/1199866449.db2.gz HOLXDPFAZBHYSK-DSSZZKGTSA-N 0 3 377.407 0.845 20 0 GCADHN C[NH+]1CCN(C(=N)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)CC1 ZINC001168735284 1199874919 /nfs/dbraw/zinc/87/49/19/1199874919.db2.gz MDNFQHOLWWQYMR-UHFFFAOYSA-N 0 3 375.458 0.871 20 0 GCADHN CNC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC=CCC2)CC1 ZINC001299278028 1199876651 /nfs/dbraw/zinc/87/66/51/1199876651.db2.gz MCPDZUMTGLTMHU-UHFFFAOYSA-N 0 3 399.503 0.402 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1 ZINC000125384811 1199881319 /nfs/dbraw/zinc/88/13/19/1199881319.db2.gz DDJMOSLRPDBOIV-INIZCTEOSA-N 0 3 399.499 0.407 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000265896914 1199889554 /nfs/dbraw/zinc/88/95/54/1199889554.db2.gz HASGQZRNPDPLLU-OAHLLOKOSA-N 0 3 391.497 0.654 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cnnn2-c2ccccc2)CC1 ZINC000625016917 1199890307 /nfs/dbraw/zinc/89/03/07/1199890307.db2.gz HJYCCHAKSRDSFI-INIZCTEOSA-N 0 3 392.529 0.819 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2cnnn2-c2ccccc2)CC1 ZINC000625067276 1199898908 /nfs/dbraw/zinc/89/89/08/1199898908.db2.gz YQGPXPGAJZBSRZ-UHFFFAOYSA-N 0 3 379.486 0.781 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc(Cn2cncn2)c1 ZINC000625083784 1199901601 /nfs/dbraw/zinc/90/16/01/1199901601.db2.gz KQZGISLORMOGSW-SFHVURJKSA-N 0 3 384.484 0.999 20 0 GCADHN CN1C(=O)C[C@@H](NCCC(=O)N2CCN(C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000282412128 1199902619 /nfs/dbraw/zinc/90/26/19/1199902619.db2.gz GCHBXVHMJCCRQP-VQIMIIECSA-N 0 3 380.439 0.990 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@]2(C3CCCC3)CCNC2=O)CC1 ZINC000625108748 1199905583 /nfs/dbraw/zinc/90/55/83/1199905583.db2.gz NRMHTPCVMFYTDJ-UZLBHIALSA-N 0 3 376.501 0.624 20 0 GCADHN COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC[C@@H]2C)nn1C ZINC001004624023 1199906701 /nfs/dbraw/zinc/90/67/01/1199906701.db2.gz AVUYNSYTOYOQAN-NHIYQJMISA-N 0 3 375.473 0.775 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CCOC)n1)C2)N(C)C ZINC001004639772 1199908207 /nfs/dbraw/zinc/90/82/07/1199908207.db2.gz VVHZAJMSYHGIFM-DZUCGIPZSA-N 0 3 377.489 0.731 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(CF)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001004718294 1199917119 /nfs/dbraw/zinc/91/71/19/1199917119.db2.gz PQKKJKSSGXACMC-NBVQCTAOSA-N 0 3 377.460 0.847 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)c(C)c1S(=O)(=O)NC1CC1 ZINC000265911376 1199917865 /nfs/dbraw/zinc/91/78/65/1199917865.db2.gz FCWPHYGIGQCGEE-LBPRGKRZSA-N 0 3 396.513 0.749 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000673785473 1199940697 /nfs/dbraw/zinc/94/06/97/1199940697.db2.gz ZSTULWMFLGBBJU-HNNXBMFYSA-N 0 3 387.440 0.277 20 0 GCADHN CCn1nncc1CNC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000625397368 1199946545 /nfs/dbraw/zinc/94/65/45/1199946545.db2.gz LKFHTDCAAHCXEA-UHFFFAOYSA-N 0 3 376.436 0.644 20 0 GCADHN CCn1nncc1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000625424901 1199952560 /nfs/dbraw/zinc/95/25/60/1199952560.db2.gz BBRRXBWKKWIECB-UHFFFAOYSA-N 0 3 376.436 0.644 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2csc(N(C)C)n2)CC1 ZINC000673880640 1199967237 /nfs/dbraw/zinc/96/72/37/1199967237.db2.gz GPHJEXODIRRWKQ-UHFFFAOYSA-N 0 3 382.534 0.905 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCn2ccnc2C1 ZINC001004815288 1199970025 /nfs/dbraw/zinc/97/00/25/1199970025.db2.gz QZTYAZYHOCIMEG-SRABZTEZSA-N 0 3 382.468 0.968 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cncc(C(N)=O)c1 ZINC001004814883 1199970172 /nfs/dbraw/zinc/97/01/72/1199970172.db2.gz MWKNWCAXBGDVGN-BMFZPTHFSA-N 0 3 382.424 0.316 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCn2cncc2C1 ZINC001004815839 1199970912 /nfs/dbraw/zinc/97/09/12/1199970912.db2.gz XISBXWIFVZJPGI-DTDBQYNISA-N 0 3 382.468 0.968 20 0 GCADHN Cn1nnc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)CN3CCCC3)cc21 ZINC001004833142 1199973441 /nfs/dbraw/zinc/97/34/41/1199973441.db2.gz JFSAMRLZMMHVIA-OIISXLGYSA-N 0 3 382.468 0.926 20 0 GCADHN CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3cccnc13)C2)C1CC1 ZINC001004874659 1199993842 /nfs/dbraw/zinc/99/38/42/1199993842.db2.gz REYVBKROJPBBNK-SIXLDLHFSA-N 0 3 382.468 0.931 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC(=O)N1C)C2)C1CCC1 ZINC001004904096 1200002563 /nfs/dbraw/zinc/00/25/63/1200002563.db2.gz BQSWYTIZJPCGTN-VQHPVUNQSA-N 0 3 376.501 0.730 20 0 GCADHN CN1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)N2CCCC2)C3)C1 ZINC001004906143 1200003875 /nfs/dbraw/zinc/00/38/75/1200003875.db2.gz JYLAACHOOLREQO-NCOADZHNSA-N 0 3 378.517 0.440 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(=O)n1C)C2 ZINC001004946881 1200024320 /nfs/dbraw/zinc/02/43/20/1200024320.db2.gz WZTGUMDUQPCSQS-KBXIAJHMSA-N 0 3 375.473 0.862 20 0 GCADHN CCN1CC[NH+](CCCCNC(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1 ZINC000625553135 1200030623 /nfs/dbraw/zinc/03/06/23/1200030623.db2.gz DHSAXDOBVBSSMA-UHFFFAOYSA-N 0 3 383.518 0.601 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC000625560637 1200037860 /nfs/dbraw/zinc/03/78/60/1200037860.db2.gz FILWUOXWYBOVIX-JKSUJKDBSA-N 0 3 376.505 0.163 20 0 GCADHN NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466575817 1200059401 /nfs/dbraw/zinc/05/94/01/1200059401.db2.gz SWFNWCQHJDRHSC-SJORKVTESA-N 0 3 383.537 0.110 20 0 GCADHN NC(=O)[C@H]1CCCCC[C@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466575812 1200059593 /nfs/dbraw/zinc/05/95/93/1200059593.db2.gz SWFNWCQHJDRHSC-DLBZAZTESA-N 0 3 383.537 0.110 20 0 GCADHN CC[C@](O)(C(=O)N1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2)C(F)(F)F ZINC001273120154 1200065329 /nfs/dbraw/zinc/06/53/29/1200065329.db2.gz WUKDYTGUADWMJN-CABCVRRESA-N 0 3 381.395 0.081 20 0 GCADHN COCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCN2C)cn1 ZINC001005062319 1200075594 /nfs/dbraw/zinc/07/55/94/1200075594.db2.gz PWNSCNNSBNKADE-NCOADZHNSA-N 0 3 375.473 0.485 20 0 GCADHN COCC(=O)NC1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000674038460 1200131998 /nfs/dbraw/zinc/13/19/98/1200131998.db2.gz DPQGORLILMAROD-UHFFFAOYSA-N 0 3 390.484 0.749 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)NCC(C2CCC2)C2CCC2)CC1=O ZINC000625666701 1200132822 /nfs/dbraw/zinc/13/28/22/1200132822.db2.gz FYHFPPQMRBBBMH-UHFFFAOYSA-N 0 3 378.517 0.551 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000674039674 1200134424 /nfs/dbraw/zinc/13/44/24/1200134424.db2.gz RXMJSNZEOVNFMW-UHFFFAOYSA-N 0 3 384.502 0.439 20 0 GCADHN CC(C)(COCc1ccccc1)NC(=O)NCCN1C[C@@H](CO)[C@H](CO)C1 ZINC000625706777 1200161025 /nfs/dbraw/zinc/16/10/25/1200161025.db2.gz BQJQJFGMVDEKHH-ROUUACIJSA-N 0 3 379.501 0.814 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(=O)n(CC)n1)C2)N(C)C ZINC001005115104 1200179640 /nfs/dbraw/zinc/17/96/40/1200179640.db2.gz NPOAUNZNTQATHI-MIGQKNRLSA-N 0 3 375.473 0.465 20 0 GCADHN CC1(C)CC(CN2C[C@@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H](O)C2)C1 ZINC001083853842 1200181471 /nfs/dbraw/zinc/18/14/71/1200181471.db2.gz RCFCYQQFYYHUIM-ZJPYXAASSA-N 0 3 376.501 0.886 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn(-c2ccncc2)n1)c1nnc[nH]1 ZINC001005137444 1200186630 /nfs/dbraw/zinc/18/66/30/1200186630.db2.gz DUDNDMSPIHBRDH-YUELXQCFSA-N 0 3 378.396 0.561 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn(-c2ccncc2)n1)c1ncn[nH]1 ZINC001005137444 1200186639 /nfs/dbraw/zinc/18/66/39/1200186639.db2.gz DUDNDMSPIHBRDH-YUELXQCFSA-N 0 3 378.396 0.561 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn(-c2ccncc2)n1)c1nc[nH]n1 ZINC001005137444 1200186645 /nfs/dbraw/zinc/18/66/45/1200186645.db2.gz DUDNDMSPIHBRDH-YUELXQCFSA-N 0 3 378.396 0.561 20 0 GCADHN CSc1ccncc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000674269464 1200209735 /nfs/dbraw/zinc/20/97/35/1200209735.db2.gz BACARXCUJSNYLG-CQSZACIVSA-N 0 3 393.513 0.801 20 0 GCADHN COC1CCN(CCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000674309976 1200218436 /nfs/dbraw/zinc/21/84/36/1200218436.db2.gz NIXVXIIYJCTYGA-UHFFFAOYSA-N 0 3 381.498 0.849 20 0 GCADHN COC1CCN(CCNC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)CC1 ZINC000674314222 1200218454 /nfs/dbraw/zinc/21/84/54/1200218454.db2.gz COUNGXWJQWXQPZ-AWEZNQCLSA-N 0 3 399.517 0.783 20 0 GCADHN COC1CCN(CCNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000674325966 1200220916 /nfs/dbraw/zinc/22/09/16/1200220916.db2.gz TVTLSICDSQMDOQ-UHFFFAOYSA-N 0 3 384.502 0.287 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CCC(=O)NC1)C2)C1CCC1 ZINC001005270745 1200233717 /nfs/dbraw/zinc/23/37/17/1200233717.db2.gz DLGGIXQDBYOXPT-IHSNIMORSA-N 0 3 376.501 0.635 20 0 GCADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000674472059 1200249323 /nfs/dbraw/zinc/24/93/23/1200249323.db2.gz HMACGCCBPCKJFK-HNNXBMFYSA-N 0 3 388.468 0.936 20 0 GCADHN CCN1C(=O)[C@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CCN2C1=O ZINC000674594279 1200283552 /nfs/dbraw/zinc/28/35/52/1200283552.db2.gz HTDSHMCQMNWSOT-DLBZAZTESA-N 0 3 385.468 0.789 20 0 GCADHN CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ncccn3n1)C2)C1CC1 ZINC001005418910 1200286535 /nfs/dbraw/zinc/28/65/35/1200286535.db2.gz KRKJSRZSODDQLX-AHEZYBDSSA-N 0 3 382.468 0.931 20 0 GCADHN CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001033904024 1200292388 /nfs/dbraw/zinc/29/23/88/1200292388.db2.gz NTSLWRPVTICTPD-CNRFMZSYSA-N 0 3 390.484 0.275 20 0 GCADHN COC1CCN(CCNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1 ZINC000674644230 1200295142 /nfs/dbraw/zinc/29/51/42/1200295142.db2.gz SOFAGHAYLDHCLH-SCLBCKFNSA-N 0 3 381.477 0.117 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CN1C1CC1 ZINC000674689162 1200309212 /nfs/dbraw/zinc/30/92/12/1200309212.db2.gz IJFCHGUWKNWXNL-QWHCGFSZSA-N 0 3 382.486 0.391 20 0 GCADHN COC[C@@](C)(O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000674765757 1200318816 /nfs/dbraw/zinc/31/88/16/1200318816.db2.gz HAODJNGTBKSTTE-YLJYHZDGSA-N 0 3 376.501 0.840 20 0 GCADHN O=C(N[C@H]1CCCCN(CCCN2C(=O)CNC2=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001034325833 1200348639 /nfs/dbraw/zinc/34/86/39/1200348639.db2.gz VQTRLKMIHJJDPC-CNRFMZSYSA-N 0 3 390.484 0.322 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@@H](CO)OC[C@@H]3C)cc2)CC1 ZINC000766099967 1200366363 /nfs/dbraw/zinc/36/63/63/1200366363.db2.gz WPXRAPLKENMTHU-LPHOPBHVSA-N 0 3 376.501 0.849 20 0 GCADHN O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)C2 ZINC001005563927 1200367060 /nfs/dbraw/zinc/36/70/60/1200367060.db2.gz OSYLSDPCZCMLHC-HONMWMINSA-N 0 3 381.396 0.491 20 0 GCADHN C[C@@H](CNC(=O)N(CCO)CCN1CCOCC1)N(C)Cc1ccccc1 ZINC000485600547 1200383192 /nfs/dbraw/zinc/38/31/92/1200383192.db2.gz MOKIEWHYVKBYAI-SFHVURJKSA-N 0 3 378.517 0.843 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O ZINC000246114425 1200387846 /nfs/dbraw/zinc/38/78/46/1200387846.db2.gz MFCAHBJZZCJZHI-QAPCUYQASA-N 0 3 387.484 0.974 20 0 GCADHN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000675402476 1200393474 /nfs/dbraw/zinc/39/34/74/1200393474.db2.gz VBAHQJHMAHCJDO-OAHLLOKOSA-N 0 3 397.472 0.909 20 0 GCADHN CC(C)CCCN1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128993694 1200394524 /nfs/dbraw/zinc/39/45/24/1200394524.db2.gz MRVGRBZPBBAIHS-VQHPVUNQSA-N 0 3 376.505 0.971 20 0 GCADHN CN1CCCC[C@H]1C(=O)N1CC2(C1)SCC[C@@H]2C(=O)NCc1cnc[nH]1 ZINC001273137147 1200411434 /nfs/dbraw/zinc/41/14/34/1200411434.db2.gz GWNLSSABFFYIDI-CABCVRRESA-N 0 3 377.514 0.844 20 0 GCADHN O=C(NCc1ccc(CN[C@H]2CCC(=O)NC2=O)cc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001034819840 1200424815 /nfs/dbraw/zinc/42/48/15/1200424815.db2.gz DIJXQVYQUQEMMW-ORVJBUBXSA-N 0 3 383.448 0.621 20 0 GCADHN NC(=O)c1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)nn1-c1ccccc1 ZINC000675541640 1200428524 /nfs/dbraw/zinc/42/85/24/1200428524.db2.gz YMURJUOAIDHAAW-INIZCTEOSA-N 0 3 383.452 0.954 20 0 GCADHN CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CCN(CCCN2C(=O)CNC2=O)CC1 ZINC001005740803 1200429777 /nfs/dbraw/zinc/42/97/77/1200429777.db2.gz JDDWIZGAOJRHPU-OCABDXPQSA-N 0 3 390.484 0.275 20 0 GCADHN COCCCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001129060396 1200458723 /nfs/dbraw/zinc/45/87/23/1200458723.db2.gz PXRCPSKMWZJXOK-AHCXZYCDSA-N 0 3 387.488 0.963 20 0 GCADHN CC(C)CCN1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001129112235 1200465956 /nfs/dbraw/zinc/46/59/56/1200465956.db2.gz AIPDNYQBTDYEEL-NCOADZHNSA-N 0 3 392.504 0.479 20 0 GCADHN COc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(OC)n1 ZINC000675883356 1200466101 /nfs/dbraw/zinc/46/61/01/1200466101.db2.gz MYVCDAARZVYVIC-AWEZNQCLSA-N 0 3 377.445 0.869 20 0 GCADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](n2ccnn2)C1 ZINC001129112278 1200466270 /nfs/dbraw/zinc/46/62/70/1200466270.db2.gz CVRCBVJJFNXJSN-BDXSIMOUSA-N 0 3 377.489 0.861 20 0 GCADHN Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1S(N)(=O)=O ZINC000675917327 1200468001 /nfs/dbraw/zinc/46/80/01/1200468001.db2.gz DLFQORFGPYOHKT-OAHLLOKOSA-N 0 3 394.497 0.021 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(-c2cccnc2)n1 ZINC000675916828 1200468043 /nfs/dbraw/zinc/46/80/43/1200468043.db2.gz PDQQAUSVQFPEHJ-QGZVFWFLSA-N 0 3 382.468 0.861 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000675968691 1200474798 /nfs/dbraw/zinc/47/47/98/1200474798.db2.gz UTRNQHVSAUGGHG-LJQANCHMSA-N 0 3 385.512 0.950 20 0 GCADHN CN(C)S(=O)(=O)N1CCC2(CN(C(=O)[C@@H]3CCN3C3CCCCC3)C2)C1 ZINC001273142172 1200481642 /nfs/dbraw/zinc/48/16/42/1200481642.db2.gz VAPYCFHFVCFOEY-INIZCTEOSA-N 0 3 384.546 0.734 20 0 GCADHN CNc1nc(N[C@H](C)[C@H]2CN(C)CCO2)nc(N[C@H](C)[C@@H]2CN(C)CCO2)n1 ZINC000676314478 1200544013 /nfs/dbraw/zinc/54/40/13/1200544013.db2.gz AWLFTQXMIRCJKB-TUVASFSCSA-N 0 3 394.524 0.175 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000676343918 1200545738 /nfs/dbraw/zinc/54/57/38/1200545738.db2.gz ZJEDVFXJNTUJRP-OAHLLOKOSA-N 0 3 381.498 0.886 20 0 GCADHN C[C@@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NCCF ZINC000282525402 1200552491 /nfs/dbraw/zinc/55/24/91/1200552491.db2.gz LJAGMQNGDNFHCU-QGZVFWFLSA-N 0 3 393.507 0.968 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CCSC1 ZINC000676552748 1200567209 /nfs/dbraw/zinc/56/72/09/1200567209.db2.gz IFRKFHGOIJFSIM-SFHVURJKSA-N 0 3 388.497 0.818 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CCSC1 ZINC000676552746 1200567403 /nfs/dbraw/zinc/56/74/03/1200567403.db2.gz IFRKFHGOIJFSIM-GOSISDBHSA-N 0 3 388.497 0.818 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000676545485 1200568702 /nfs/dbraw/zinc/56/87/02/1200568702.db2.gz KMUDPKQFPDEHFR-INIZCTEOSA-N 0 3 399.499 0.407 20 0 GCADHN CN(CCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000804178613 1200573883 /nfs/dbraw/zinc/57/38/83/1200573883.db2.gz TZTQEHOYLAFPMC-UHFFFAOYSA-N 0 3 399.536 0.065 20 0 GCADHN CC(C)CCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](n2ccnn2)C1 ZINC001129262430 1200593423 /nfs/dbraw/zinc/59/34/23/1200593423.db2.gz PUFCYARQWHSKRB-TWMKSMIVSA-N 0 3 376.505 0.957 20 0 GCADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(C)(N3CCOCC3)CC2)CCN1C ZINC000625748433 1200599936 /nfs/dbraw/zinc/59/99/36/1200599936.db2.gz YMLPZORZBVDRNH-QGZVFWFLSA-N 0 3 380.533 0.498 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nnc([C@@H]3CCCO3)s2)CC1 ZINC000640731540 1200680999 /nfs/dbraw/zinc/68/09/99/1200680999.db2.gz JOVNKFZZRMIOJW-OLZOCXBDSA-N 0 3 394.501 1.160 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000329926703 1200681312 /nfs/dbraw/zinc/68/13/12/1200681312.db2.gz WJXMDBZTTNOLOX-LLVKDONJSA-N 0 3 386.378 1.266 20 0 GCADHN CN1CCN(CCNC(=O)Nc2ccnc(OCC(F)(F)F)n2)CC1(C)C ZINC000455964148 1200682550 /nfs/dbraw/zinc/68/25/50/1200682550.db2.gz XRUYQQNADGAUFC-UHFFFAOYSA-N 0 3 390.410 1.565 20 0 GCADHN C[C@H]1CN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CCN(C2CC2)C1 ZINC000578413463 1200693084 /nfs/dbraw/zinc/69/30/84/1200693084.db2.gz UQZMBCJLTJHSED-GFCCVEGCSA-N 0 3 386.456 1.325 20 0 GCADHN C[C@H]1CN(C2CCN(C(=O)C(=O)Nc3ccn(-c4ccncc4)n3)CC2)CCO1 ZINC000507148986 1200695627 /nfs/dbraw/zinc/69/56/27/1200695627.db2.gz YOAVPSFDZJGVSM-HNNXBMFYSA-N 0 3 398.467 0.918 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C3)CC1 ZINC001005860027 1200706609 /nfs/dbraw/zinc/70/66/09/1200706609.db2.gz IHBRBAIJORSYED-FMKPAKJESA-N 0 3 375.473 0.719 20 0 GCADHN CCOc1ccc(OC[C@@H](O)CN2CCC(n3cc(C(N)=O)nn3)CC2)cc1 ZINC000625803868 1200713365 /nfs/dbraw/zinc/71/33/65/1200713365.db2.gz PMHNDXNVMWUSGS-HNNXBMFYSA-N 0 3 389.456 0.853 20 0 GCADHN Cn1cnc(-c2ccc(C(=O)NCCCCN3CCN(CCO)CC3)cc2)n1 ZINC000509288696 1200728146 /nfs/dbraw/zinc/72/81/46/1200728146.db2.gz QAHXYWATUHHBLU-UHFFFAOYSA-N 0 3 386.500 0.602 20 0 GCADHN CC(C)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCN(C(C)C)CC3)O2)CC1 ZINC000188120524 1200734070 /nfs/dbraw/zinc/73/40/70/1200734070.db2.gz RIDYUMOTGBOVAM-HDICACEKSA-N 0 3 380.533 0.639 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000429298752 1200735692 /nfs/dbraw/zinc/73/56/92/1200735692.db2.gz FBHPMJZHZXMQMP-SOUVJXGZSA-N 0 3 398.504 0.337 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3csc(Nc4cc(F)cc(F)c4)n3)CCN2C1=O ZINC000580571832 1200742210 /nfs/dbraw/zinc/74/22/10/1200742210.db2.gz GGTVXIOIXQRPRL-OLZOCXBDSA-N 0 3 393.419 1.549 20 0 GCADHN O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NC[C@H]1NCCc2ccccc21 ZINC000582784137 1200750607 /nfs/dbraw/zinc/75/06/07/1200750607.db2.gz IQLHCZCOQXXQTF-OAHLLOKOSA-N 0 3 394.435 1.385 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)nn1C ZINC000429768368 1200801912 /nfs/dbraw/zinc/80/19/12/1200801912.db2.gz GYAOUVVRMXPXCX-QGZVFWFLSA-N 0 3 385.468 1.074 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1ccn(CCC(F)(F)F)n1 ZINC000425783068 1200818082 /nfs/dbraw/zinc/81/80/82/1200818082.db2.gz PNOCEOMLBHYEMG-LBPRGKRZSA-N 0 3 391.394 0.737 20 0 GCADHN Cc1cc(NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)nn1C ZINC000549716785 1200818978 /nfs/dbraw/zinc/81/89/78/1200818978.db2.gz LJCQOHRXTBXKBF-UHFFFAOYSA-N 0 3 386.412 0.775 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000581357503 1200821360 /nfs/dbraw/zinc/82/13/60/1200821360.db2.gz CEYSOWSKGRRQBR-KRWDZBQOSA-N 0 3 398.467 0.750 20 0 GCADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H]1COCCN1 ZINC000625865616 1200828285 /nfs/dbraw/zinc/82/82/85/1200828285.db2.gz UFYSUYMUOFJQKW-HNNXBMFYSA-N 0 3 377.489 0.947 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000563477469 1200891540 /nfs/dbraw/zinc/89/15/40/1200891540.db2.gz XWIWKMMSGLQEFF-UHFFFAOYSA-N 0 3 395.410 0.828 20 0 GCADHN O=C(Nc1nc2n(n1)CCCC2)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425801426 1200897405 /nfs/dbraw/zinc/89/74/05/1200897405.db2.gz AXMBHKFYCBFIKH-DLBZAZTESA-N 0 3 394.479 1.286 20 0 GCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1nc(C)n(C)n1 ZINC000521648667 1200898811 /nfs/dbraw/zinc/89/88/11/1200898811.db2.gz KLNUDZDOWSQJCB-MRXNPFEDSA-N 0 3 385.472 0.970 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3cncc(OC)n3)c(C)c2)CC1 ZINC000566334213 1200902220 /nfs/dbraw/zinc/90/22/20/1200902220.db2.gz QEFYVEPHTHFVLL-UHFFFAOYSA-N 0 3 398.467 1.513 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)Nc3ccn(CCO)n3)c2)CC1 ZINC000566075106 1200902636 /nfs/dbraw/zinc/90/26/36/1200902636.db2.gz ZVOYLTVNEJLHSS-UHFFFAOYSA-N 0 3 386.456 0.595 20 0 GCADHN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@H](C)C2)n1 ZINC000556435289 1200908307 /nfs/dbraw/zinc/90/83/07/1200908307.db2.gz CLYZYHJSGMHZKK-GJZGRUSLSA-N 0 3 377.489 1.362 20 0 GCADHN COC[C@H](C)n1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000548343489 1200911044 /nfs/dbraw/zinc/91/10/44/1200911044.db2.gz ODTPKAOZOMHGCM-HNNXBMFYSA-N 0 3 378.477 0.862 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCC(=O)N1)C2)C1CCC1 ZINC001006020472 1200926020 /nfs/dbraw/zinc/92/60/20/1200926020.db2.gz ZIIRVGVATHKNPN-TWMKSMIVSA-N 0 3 376.501 0.778 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000923287148 1200927152 /nfs/dbraw/zinc/92/71/52/1200927152.db2.gz RRAXDRUMWBTRGK-RCCFBDPRSA-N 0 3 378.517 0.395 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000923309171 1200944469 /nfs/dbraw/zinc/94/44/69/1200944469.db2.gz LUCPOKPQJJVUEC-ZWKOTPCHSA-N 0 3 382.464 0.753 20 0 GCADHN CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000923332835 1200952549 /nfs/dbraw/zinc/95/25/49/1200952549.db2.gz MFQFJQNCTXNJQQ-QZTJIDSGSA-N 0 3 390.484 0.281 20 0 GCADHN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000923332836 1200952677 /nfs/dbraw/zinc/95/26/77/1200952677.db2.gz MFQFJQNCTXNJQQ-ROUUACIJSA-N 0 3 390.484 0.281 20 0 GCADHN COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000536535164 1200966732 /nfs/dbraw/zinc/96/67/32/1200966732.db2.gz NUTHRMBONZZDNI-KRWDZBQOSA-N 0 3 398.467 0.677 20 0 GCADHN CC[C@@H](C)n1nc(NC(=O)C(=O)NC[C@H](C)N2CCN(CC)CC2)cc1C ZINC000553315868 1200988870 /nfs/dbraw/zinc/98/88/70/1200988870.db2.gz FIVZRFJSPJIBSV-ZBFHGGJFSA-N 0 3 378.521 1.243 20 0 GCADHN COc1cncc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)n1 ZINC000568402071 1201026111 /nfs/dbraw/zinc/02/61/11/1201026111.db2.gz QFFBJUDIPARLNM-UHFFFAOYSA-N 0 3 375.404 1.153 20 0 GCADHN COc1cncc(NC(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)n1 ZINC000564662706 1201028461 /nfs/dbraw/zinc/02/84/61/1201028461.db2.gz VEMTXAWDQBRDRA-CYBMUJFWSA-N 0 3 384.440 1.161 20 0 GCADHN C[C@@H]1CN(C(=O)Nc2cc(OC(F)F)n(C)n2)CC[C@@H]1N1CCN(C)CC1 ZINC000548655646 1201077131 /nfs/dbraw/zinc/07/71/31/1201077131.db2.gz UPYBKTQGZWUQBH-OLZOCXBDSA-N 0 3 386.447 1.511 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)c2nc(N)nc(N3CCOCC3)n2)c2ccccc2O1 ZINC000651508603 1201078838 /nfs/dbraw/zinc/07/88/38/1201078838.db2.gz XWADTZIENQIPRC-CYBMUJFWSA-N 0 3 399.455 0.260 20 0 GCADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1nc(N)nc(N(C)C)n1 ZINC000593895766 1201091085 /nfs/dbraw/zinc/09/10/85/1201091085.db2.gz ZAVBWVUVIHPNIZ-ZDUSSCGKSA-N 0 3 393.492 0.400 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CCc2c(C)nc3nc(N)nn3c2C)C1 ZINC000592095810 1201093706 /nfs/dbraw/zinc/09/37/06/1201093706.db2.gz LCOJCVMJEVNERN-CQSZACIVSA-N 0 3 375.477 0.483 20 0 GCADHN CCC(CC)Nc1cc[nH+]cc1[N-]C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000577003719 1201122293 /nfs/dbraw/zinc/12/22/93/1201122293.db2.gz YADSFSFSVLLLGG-UHFFFAOYSA-N 0 3 386.460 0.960 20 0 GCADHN CCC(CC)Nc1ccncc1NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000577003719 1201122295 /nfs/dbraw/zinc/12/22/95/1201122295.db2.gz YADSFSFSVLLLGG-UHFFFAOYSA-N 0 3 386.460 0.960 20 0 GCADHN C[C@@H]1CN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CCN(C2CCC2)C1 ZINC000572127022 1201131604 /nfs/dbraw/zinc/13/16/04/1201131604.db2.gz VFNMFHHFVURIOG-ZDUSSCGKSA-N 0 3 375.477 0.237 20 0 GCADHN COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C(C)C)N(C)C)nn1 ZINC001006154670 1201135129 /nfs/dbraw/zinc/13/51/29/1201135129.db2.gz OGHLDGBFJDUCJQ-UTXMOHQDSA-N 0 3 375.473 0.933 20 0 GCADHN Cc1onc(N)c1S(=O)(=O)[N-]CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000420471007 1201148766 /nfs/dbraw/zinc/14/87/66/1201148766.db2.gz OWENEHUXLIJKHJ-UHFFFAOYSA-N 0 3 379.486 0.837 20 0 GCADHN Nc1nc(C(=O)NC[C@H]2CCN2C2CCCCC2)nc(N2CCOCC2)n1 ZINC000529715137 1201178092 /nfs/dbraw/zinc/17/80/92/1201178092.db2.gz BJMQZNFFFOQNSH-CQSZACIVSA-N 0 3 375.477 0.427 20 0 GCADHN CC(C)CN1CCN(C(=O)COCC(=O)N2CCN(CC(C)C)CC2)CC1 ZINC000073967073 1201184142 /nfs/dbraw/zinc/18/41/42/1201184142.db2.gz WEHNFQOKHGJTRB-UHFFFAOYSA-N 0 3 382.549 0.603 20 0 GCADHN CCOc1ccnc(N2CCCN(C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000486453514 1201191870 /nfs/dbraw/zinc/19/18/70/1201191870.db2.gz VIBCNKQESABSBL-KURKYZTESA-N 0 3 393.532 0.858 20 0 GCADHN CC(C)[C@@H](C(=O)NCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1)N(C)C ZINC001063371268 1201191926 /nfs/dbraw/zinc/19/19/26/1201191926.db2.gz BRWBOJGSESAXLB-LUKYLMHMSA-N 0 3 381.517 0.779 20 0 GCADHN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000495474822 1201194647 /nfs/dbraw/zinc/19/46/47/1201194647.db2.gz SMWAIVTZYLFIQG-GWCDLVAZSA-N 0 3 379.505 0.914 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000499759795 1201196123 /nfs/dbraw/zinc/19/61/23/1201196123.db2.gz PYCRVKRYBVLMDS-UFZUXSKSSA-N 0 3 391.516 0.284 20 0 GCADHN CCOC(=O)CC[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000611038287 1201212787 /nfs/dbraw/zinc/21/27/87/1201212787.db2.gz NXIREIYQGJWEGU-QGZVFWFLSA-N 0 3 396.532 0.274 20 0 GCADHN CCN(CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(=O)OC(C)(C)C ZINC000804254764 1201213667 /nfs/dbraw/zinc/21/36/67/1201213667.db2.gz QFMFUUCZKDAKEI-HNNXBMFYSA-N 0 3 382.505 0.960 20 0 GCADHN CNC(=O)Cn1cc(NC(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cn1 ZINC000611327202 1201232300 /nfs/dbraw/zinc/23/23/00/1201232300.db2.gz OTHGSEKYNGSQMM-INIZCTEOSA-N 0 3 377.493 0.261 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](NCC(N)=O)C2)O1 ZINC001079154424 1201248570 /nfs/dbraw/zinc/24/85/70/1201248570.db2.gz CFKJNUOFMFFJOL-BVPBIZIASA-N 0 3 392.475 0.304 20 0 GCADHN CNC(=O)CN1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245811 1201249991 /nfs/dbraw/zinc/24/99/91/1201249991.db2.gz IWGQDVHTQMTWRX-PNBKFKSVSA-N 0 3 387.484 0.199 20 0 GCADHN CCN(C(=O)CN1CCC[C@@H]1C)C1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001080558493 1201277652 /nfs/dbraw/zinc/27/76/52/1201277652.db2.gz VDTCRKSVRUHYEN-RIVXBTQJSA-N 0 3 379.501 0.582 20 0 GCADHN CCCN(C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001080926473 1201288095 /nfs/dbraw/zinc/28/80/95/1201288095.db2.gz RLLYSJVBSWWDQY-OCABDXPQSA-N 0 3 379.501 0.221 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2nnn(Cc3cc(C)on3)c2C)CC1 ZINC000512333534 1201294877 /nfs/dbraw/zinc/29/48/77/1201294877.db2.gz HAJZUJYTQVEMMS-CYBMUJFWSA-N 0 3 375.477 0.687 20 0 GCADHN CO[C@@H]1CN(CCc2scnc2C)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001081848006 1201307069 /nfs/dbraw/zinc/30/70/69/1201307069.db2.gz GTTZFOOUCBOPBG-DTZQCDIJSA-N 0 3 382.530 0.529 20 0 GCADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCCN(C)CCOC)C2)no1 ZINC000514003587 1201309196 /nfs/dbraw/zinc/30/91/96/1201309196.db2.gz QIUGQGJJZGZNEI-OAHLLOKOSA-N 0 3 396.492 0.343 20 0 GCADHN CO[C@@H]1CN(CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001082142823 1201318475 /nfs/dbraw/zinc/31/84/75/1201318475.db2.gz JTBXPBWPMNQZDA-XMTFNYHQSA-N 0 3 381.517 0.910 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1NCc1cnn(C)c1 ZINC001082594348 1201340593 /nfs/dbraw/zinc/34/05/93/1201340593.db2.gz QDELRIQYBLFREB-ZRJCITRHSA-N 0 3 376.379 0.703 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1NCc1cncn1C ZINC001082657258 1201342396 /nfs/dbraw/zinc/34/23/96/1201342396.db2.gz QCRPKQZLEMXFLD-OWYHZJEWSA-N 0 3 391.516 0.236 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082746662 1201344843 /nfs/dbraw/zinc/34/48/43/1201344843.db2.gz UNSULWYYGLWKMH-WCXIOVBPSA-N 0 3 378.517 0.583 20 0 GCADHN CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(=O)NC)CC2)C1 ZINC001082727610 1201345203 /nfs/dbraw/zinc/34/52/03/1201345203.db2.gz HFKDZEQJRDBTSO-VDHUWJSZSA-N 0 3 392.544 0.844 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)N1CCCc2ccccc21 ZINC001082745259 1201346988 /nfs/dbraw/zinc/34/69/88/1201346988.db2.gz NCHLWZVMJUNJKR-MXASKKJJSA-N 0 3 384.480 0.524 20 0 GCADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C ZINC001082739501 1201347223 /nfs/dbraw/zinc/34/72/23/1201347223.db2.gz ZDSQVNFOKGLNKK-VDNDLQMASA-N 0 3 377.489 0.301 20 0 GCADHN CNC(=O)c1cccc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2C)c1 ZINC001082746254 1201347669 /nfs/dbraw/zinc/34/76/69/1201347669.db2.gz TZCSLDUGTOFPDW-NKGKWGDASA-N 0 3 386.496 0.707 20 0 GCADHN CCC(=O)N1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001006199252 1201353362 /nfs/dbraw/zinc/35/33/62/1201353362.db2.gz OJEFKBNWRODXSK-HZMVEIRTSA-N 0 3 376.501 0.589 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000533456301 1201368641 /nfs/dbraw/zinc/36/86/41/1201368641.db2.gz FNTWKXOVENTNIB-HNNXBMFYSA-N 0 3 392.504 0.636 20 0 GCADHN CC(C)c1nc(CN2C[C@H]3OCCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@H]3C2)n[nH]1 ZINC001083119264 1201379891 /nfs/dbraw/zinc/37/98/91/1201379891.db2.gz JVHIJWPGXFFAPB-QKPAOTATSA-N 0 3 392.504 0.059 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001006204706 1201399312 /nfs/dbraw/zinc/39/93/12/1201399312.db2.gz LYJPXSLGALTBHK-WWNBULGVSA-N 0 3 376.501 0.589 20 0 GCADHN C[C@@H](CCN1CCN(c2ncccn2)CC1)N1CCN(c2ncccn2)CC1 ZINC000173173547 1201406250 /nfs/dbraw/zinc/40/62/50/1201406250.db2.gz ZOUOTXMDEPPBAG-SFHVURJKSA-N 0 3 382.516 0.989 20 0 GCADHN CCN1CCN(c2ccc(C(=O)NCCN3CCCS3(=O)=O)cc2)CC1 ZINC000172722395 1201406637 /nfs/dbraw/zinc/40/66/37/1201406637.db2.gz BYNRIVTZAHFRQB-UHFFFAOYSA-N 0 3 380.514 0.594 20 0 GCADHN CN(CCCN1CCN(C)CC1)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000174729583 1201409392 /nfs/dbraw/zinc/40/93/92/1201409392.db2.gz QYYQPHKKJUGEDS-UHFFFAOYSA-N 0 3 389.529 0.712 20 0 GCADHN CSc1cccc(CC(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)c1 ZINC001273219503 1201414415 /nfs/dbraw/zinc/41/44/15/1201414415.db2.gz DHHIGPFCANCTCF-UHFFFAOYSA-N 0 3 377.510 0.952 20 0 GCADHN CS(=O)(=O)c1ccc(OCCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000730067999 1201433344 /nfs/dbraw/zinc/43/33/44/1201433344.db2.gz ZGHZKRACRZEQQZ-ZBFHGGJFSA-N 0 3 397.497 0.631 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC1 ZINC000730385774 1201448821 /nfs/dbraw/zinc/44/88/21/1201448821.db2.gz YHAFCDGHIHPKHR-UHFFFAOYSA-N 0 3 388.447 0.704 20 0 GCADHN COc1ccc(COC[C@H](O)CN2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000730569851 1201456672 /nfs/dbraw/zinc/45/66/72/1201456672.db2.gz AJSUFYYZZMCISI-HZPDHXFCSA-N 0 3 387.502 0.078 20 0 GCADHN CC(=O)NCSCCC(=O)N1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001273233270 1201462901 /nfs/dbraw/zinc/46/29/01/1201462901.db2.gz XPDOJDXROJSZEI-UHFFFAOYSA-N 0 3 384.546 0.606 20 0 GCADHN O=S(=O)(Cc1ccc(Br)cc1F)N1CCNCCNCC1 ZINC001119617544 1201463566 /nfs/dbraw/zinc/46/35/66/1201463566.db2.gz PYJPFRLVXPMYPU-UHFFFAOYSA-N 0 3 380.283 0.913 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000730785652 1201464305 /nfs/dbraw/zinc/46/43/05/1201464305.db2.gz DCXJBOCXARPCKY-BEFAXECRSA-N 0 3 392.431 0.430 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000730841673 1201465250 /nfs/dbraw/zinc/46/52/50/1201465250.db2.gz NQUPTNJWGBYOSO-RKCSUWQLSA-N 0 3 381.498 0.804 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)NCCCN3C(=O)CNC3=O)cc2)CC1 ZINC000731106469 1201471359 /nfs/dbraw/zinc/47/13/59/1201471359.db2.gz VOOCYYOWLMCSDS-UHFFFAOYSA-N 0 3 388.472 0.892 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(N)=O)co1)C2)N(C)C ZINC001006220149 1201511678 /nfs/dbraw/zinc/51/16/78/1201511678.db2.gz QSWPUMATDMNOJE-NYTXWWLZSA-N 0 3 376.457 0.826 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CCN(CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001084962808 1201512157 /nfs/dbraw/zinc/51/21/57/1201512157.db2.gz JBQWLYRBNPYXOC-AIANPOQGSA-N 0 3 378.473 0.276 20 0 GCADHN O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084963319 1201512597 /nfs/dbraw/zinc/51/25/97/1201512597.db2.gz MCLLIZPEXNHUSG-ANQUJSFKSA-N 0 3 385.468 0.585 20 0 GCADHN Cc1noc(CCCN2CC[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084970185 1201513732 /nfs/dbraw/zinc/51/37/32/1201513732.db2.gz SDGCHMGMBDXUSF-NRSFXHEJSA-N 0 3 391.516 0.953 20 0 GCADHN Cc1nn(C)cc1CN1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970184 1201514399 /nfs/dbraw/zinc/51/43/99/1201514399.db2.gz SCEIUQIRJDDPBT-SKWUIDRYSA-N 0 3 375.517 0.870 20 0 GCADHN O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084992221 1201532373 /nfs/dbraw/zinc/53/23/73/1201532373.db2.gz MQVPSDMSTWZPFK-ZPFYTHJMSA-N 0 3 389.496 0.873 20 0 GCADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000732573531 1201548851 /nfs/dbraw/zinc/54/88/51/1201548851.db2.gz RTUBICLJMLDRGU-ARFHVFGLSA-N 0 3 387.484 0.527 20 0 GCADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001085037216 1201555711 /nfs/dbraw/zinc/55/57/11/1201555711.db2.gz PHKIZAIFGGPTIT-KONPQCLYSA-N 0 3 386.500 0.472 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)Cn3cnnc3[S@@](C)=O)cc2)CC1 ZINC000732717699 1201556263 /nfs/dbraw/zinc/55/62/63/1201556263.db2.gz FMDFMYWEMITCCE-AREMUKBSSA-N 0 3 376.486 0.796 20 0 GCADHN COCCN1CCC(NC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000732884202 1201566306 /nfs/dbraw/zinc/56/63/06/1201566306.db2.gz GVRYKFWVYYSBRH-ZDUSSCGKSA-N 0 3 380.411 0.902 20 0 GCADHN COc1cccc(OC)c1OC[C@H](O)CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000732871341 1201567092 /nfs/dbraw/zinc/56/70/92/1201567092.db2.gz FENDXRMOWJRHKZ-BRWVUGGUSA-N 0 3 380.485 0.975 20 0 GCADHN CCN1CCN(CCC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000733000874 1201571604 /nfs/dbraw/zinc/57/16/04/1201571604.db2.gz FSBMYXKMSQMMER-UHFFFAOYSA-N 0 3 396.504 0.395 20 0 GCADHN CCN1CCN(CCNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)CC1 ZINC000733162709 1201579263 /nfs/dbraw/zinc/57/92/63/1201579263.db2.gz SHXJDVRVKBOAQE-HNNXBMFYSA-N 0 3 377.411 0.314 20 0 GCADHN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@@H](C)Cn2cccn2)C1=O ZINC000733366452 1201586202 /nfs/dbraw/zinc/58/62/02/1201586202.db2.gz UGUHUOPXOQYLAT-LIRRHRJNSA-N 0 3 384.440 0.750 20 0 GCADHN COC(=O)CCc1nc(COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)no1 ZINC000733435266 1201590029 /nfs/dbraw/zinc/59/00/29/1201590029.db2.gz JITQXPSRAHDGOZ-SFYZADRCSA-N 0 3 379.291 0.676 20 0 GCADHN CCN1CCN(CCNC(=O)c2c[nH]nc2I)CC1 ZINC000823116382 1201590231 /nfs/dbraw/zinc/59/02/31/1201590231.db2.gz NDUFFTJHJYUHOZ-UHFFFAOYSA-N 0 3 377.230 0.382 20 0 GCADHN COCCN1CN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1=O ZINC000282610544 1201614920 /nfs/dbraw/zinc/61/49/20/1201614920.db2.gz ZXSAATZULWAGLB-UHFFFAOYSA-N 0 3 388.512 0.777 20 0 GCADHN O=C(CNC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCO1)NCC1CCC1 ZINC001273292374 1201624500 /nfs/dbraw/zinc/62/45/00/1201624500.db2.gz SUACSRUSWFWERE-MJQMVNBJSA-N 0 3 379.501 0.535 20 0 GCADHN O=C(CNC[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCO1)NCC1CCC1 ZINC001273292373 1201624522 /nfs/dbraw/zinc/62/45/22/1201624522.db2.gz SUACSRUSWFWERE-LSTDLKDCSA-N 0 3 379.501 0.535 20 0 GCADHN CN(CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCO1)CC(C)(C)C ZINC001065396446 1201626163 /nfs/dbraw/zinc/62/61/63/1201626163.db2.gz IVUFSTLCDTXVAK-PITCONLNSA-N 0 3 393.528 0.731 20 0 GCADHN CC(C)C[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000177512297 1201632139 /nfs/dbraw/zinc/63/21/39/1201632139.db2.gz KRIPQVASMNWMJI-IBGZPJMESA-N 0 3 394.560 0.748 20 0 GCADHN CN(C)Cc1c2ccccc2oc1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000733927781 1201633666 /nfs/dbraw/zinc/63/36/66/1201633666.db2.gz UGUHQFKLTXTTGG-UHFFFAOYSA-N 0 3 395.481 0.886 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCc2ccccc21 ZINC001085334449 1201672266 /nfs/dbraw/zinc/67/22/66/1201672266.db2.gz NCAUWCDYGWBHAB-YYIAUSFCSA-N 0 3 384.480 0.714 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@]2(C)CCNC2=O)C3)CC1 ZINC001006245024 1201674659 /nfs/dbraw/zinc/67/46/59/1201674659.db2.gz LTEODEONCLEQCZ-DICRZQGBSA-N 0 3 376.501 0.493 20 0 GCADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccco1)N1CCNC(=O)C1 ZINC001085339724 1201676176 /nfs/dbraw/zinc/67/61/76/1201676176.db2.gz CKZRYMNWGBROJJ-KLHDSHLOSA-N 0 3 388.468 0.359 20 0 GCADHN CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001066244887 1201686904 /nfs/dbraw/zinc/68/69/04/1201686904.db2.gz CCTCEYXPSNZRSU-MJQMVNBJSA-N 0 3 381.517 0.875 20 0 GCADHN CS(=O)(=O)NCC(=O)N1CCC[C@@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001273323779 1201690406 /nfs/dbraw/zinc/69/04/06/1201690406.db2.gz YQIQZNJGMGOBQM-KRWDZBQOSA-N 0 3 382.486 0.151 20 0 GCADHN CS(=O)(=O)NCc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735578228 1201692472 /nfs/dbraw/zinc/69/24/72/1201692472.db2.gz WWXVZQPWOHGLEB-JKSUJKDBSA-N 0 3 382.486 0.721 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000735588196 1201693427 /nfs/dbraw/zinc/69/34/27/1201693427.db2.gz RMXMBSZOPYUJEL-IRXDYDNUSA-N 0 3 386.452 0.731 20 0 GCADHN CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735590052 1201693954 /nfs/dbraw/zinc/69/39/54/1201693954.db2.gz OFGHZFSMEWUFPW-DLBZAZTESA-N 0 3 388.468 0.235 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@]2(C)CCNC2=O)C3)C1 ZINC001006249558 1201695265 /nfs/dbraw/zinc/69/52/65/1201695265.db2.gz MIHHDESTOAZQIR-GXNBUGAJSA-N 0 3 376.501 0.493 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000735592152 1201695302 /nfs/dbraw/zinc/69/53/02/1201695302.db2.gz CEXCBQBRNCAPHU-CVEARBPZSA-N 0 3 387.440 0.134 20 0 GCADHN COCCOc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000735596431 1201695502 /nfs/dbraw/zinc/69/55/02/1201695502.db2.gz SMFDFSPDYAQTII-CABCVRRESA-N 0 3 377.441 0.630 20 0 GCADHN COCCOCc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000735595911 1201695528 /nfs/dbraw/zinc/69/55/28/1201695528.db2.gz QIGSOIUNUDWITB-ROUUACIJSA-N 0 3 391.468 0.768 20 0 GCADHN Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000735597336 1201696183 /nfs/dbraw/zinc/69/61/83/1201696183.db2.gz WIGIEIRIKPIJTA-HZPDHXFCSA-N 0 3 384.440 0.494 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1C ZINC000735753522 1201700983 /nfs/dbraw/zinc/70/09/83/1201700983.db2.gz NCIYSJVUCMHREJ-KGLIPLIRSA-N 0 3 382.486 0.936 20 0 GCADHN COC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000735887662 1201703750 /nfs/dbraw/zinc/70/37/50/1201703750.db2.gz VWMHGWVYFKJUPD-AWEZNQCLSA-N 0 3 391.472 0.803 20 0 GCADHN O=C(CNC(=O)C1CCN(C(=O)N2CCCC2)CC1)NCCN1CCCCC1 ZINC000827838812 1201709144 /nfs/dbraw/zinc/70/91/44/1201709144.db2.gz NXMPMGXXEMDWHF-UHFFFAOYSA-N 0 3 393.532 0.633 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)CC1 ZINC000178809994 1201716362 /nfs/dbraw/zinc/71/63/62/1201716362.db2.gz XCAWZQZQCRNQHF-HNNXBMFYSA-N 0 3 378.521 0.966 20 0 GCADHN CN(C)S(=O)(=O)N1CCC2(C1)CCN(C(=O)CN(C)C1CCCC1)CC2 ZINC001273342805 1201716381 /nfs/dbraw/zinc/71/63/81/1201716381.db2.gz GFMAWJGCZOIYDA-UHFFFAOYSA-N 0 3 386.562 0.982 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1F ZINC000737216484 1201723895 /nfs/dbraw/zinc/72/38/95/1201723895.db2.gz HGKMLRNJOLPWNJ-STQMWFEESA-N 0 3 379.388 0.530 20 0 GCADHN CC(C)Cc1cc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)n(C)n1 ZINC000737237612 1201725082 /nfs/dbraw/zinc/72/50/82/1201725082.db2.gz SHCFPUIMGUBWBY-UHFFFAOYSA-N 0 3 378.521 0.701 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCNc3cnccn3)cc2)CC1 ZINC000737237122 1201725143 /nfs/dbraw/zinc/72/51/43/1201725143.db2.gz JFYJNXYNUWAKJU-UHFFFAOYSA-N 0 3 397.483 0.785 20 0 GCADHN Cn1cnc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)CN3CCCC3)nc21 ZINC001006262736 1201731573 /nfs/dbraw/zinc/73/15/73/1201731573.db2.gz WSAYGLRLJFUQKH-XYPHTWIQSA-N 0 3 382.468 0.926 20 0 GCADHN CCN(CC)CC(=O)N1CCN(Cn2ncn(CCCOC)c2=S)CC1 ZINC000738042514 1201733169 /nfs/dbraw/zinc/73/31/69/1201733169.db2.gz UDJGCTPRZDXSDG-UHFFFAOYSA-N 0 3 384.550 0.894 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000738318186 1201736639 /nfs/dbraw/zinc/73/66/39/1201736639.db2.gz PNJKQICZLSVFPN-ROUUACIJSA-N 0 3 396.532 0.862 20 0 GCADHN Cn1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)c(Cl)n1 ZINC001006270424 1201746740 /nfs/dbraw/zinc/74/67/40/1201746740.db2.gz GHPLCARVUIPSHQ-KFWWJZLASA-N 0 3 379.892 0.960 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000740423963 1201747397 /nfs/dbraw/zinc/74/73/97/1201747397.db2.gz XLHXZINZKHQEGA-KVSKMBFKSA-N 0 3 397.541 0.947 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000740423965 1201747630 /nfs/dbraw/zinc/74/76/30/1201747630.db2.gz XLHXZINZKHQEGA-WDYCEAGBSA-N 0 3 397.541 0.947 20 0 GCADHN CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001066383399 1201788817 /nfs/dbraw/zinc/78/88/17/1201788817.db2.gz XTKPGLAGROAAKU-MJQMVNBJSA-N 0 3 381.517 0.877 20 0 GCADHN COc1ccc(CN2C(=O)C(=O)N(CN3CC[C@H](N4CC=CC4)C3)C2=O)cc1 ZINC000742163555 1201790203 /nfs/dbraw/zinc/79/02/03/1201790203.db2.gz UDQPURDPHWRIHO-INIZCTEOSA-N 0 3 384.436 0.890 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000742238880 1201793166 /nfs/dbraw/zinc/79/31/66/1201793166.db2.gz HPVUJRCARGNAPX-CQSZACIVSA-N 0 3 377.489 0.860 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000742238880 1201793170 /nfs/dbraw/zinc/79/31/70/1201793170.db2.gz HPVUJRCARGNAPX-CQSZACIVSA-N 0 3 377.489 0.860 20 0 GCADHN Cn1cc(N2CC[C@H](N[C@H]3C[C@@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001086153338 1201806182 /nfs/dbraw/zinc/80/61/82/1201806182.db2.gz FOKDKQVPIPRDSA-SYIKNJILSA-N 0 3 399.495 0.433 20 0 GCADHN CCOC(=O)[C@H]1CCCCN1C(=O)CN(CCC(=O)OC)C1CCOCC1 ZINC000743872364 1201825181 /nfs/dbraw/zinc/82/51/81/1201825181.db2.gz PKSNVGQKNZFYIJ-MRXNPFEDSA-N 0 3 384.473 0.975 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cc(CC(C)C)nn2C)CC1 ZINC000743893874 1201826618 /nfs/dbraw/zinc/82/66/18/1201826618.db2.gz FDMQPYPGWASSOQ-MRXNPFEDSA-N 0 3 392.548 0.947 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000743933889 1201827607 /nfs/dbraw/zinc/82/76/07/1201827607.db2.gz LKCUKTCEXLCEDA-UHFFFAOYSA-N 0 3 378.429 0.666 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)ccc1C ZINC000743980382 1201831641 /nfs/dbraw/zinc/83/16/41/1201831641.db2.gz ZDNCPBPMJZGFCL-ZDUSSCGKSA-N 0 3 382.486 0.442 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC000743978532 1201831810 /nfs/dbraw/zinc/83/18/10/1201831810.db2.gz JVQGTRIQXOSCOE-CQSZACIVSA-N 0 3 376.457 0.693 20 0 GCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000743978474 1201831976 /nfs/dbraw/zinc/83/19/76/1201831976.db2.gz IQOUMXWCHKSGFP-ZDUSSCGKSA-N 0 3 376.457 0.936 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCC(C)(C)C2)C3)O1 ZINC001006305864 1201872046 /nfs/dbraw/zinc/87/20/46/1201872046.db2.gz JVMYFWVWEKISQF-HSFUPAIVSA-N 0 3 392.544 0.686 20 0 GCADHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000745800676 1201891093 /nfs/dbraw/zinc/89/10/93/1201891093.db2.gz CQVFGARWVKXCIL-GJYPPUQNSA-N 0 3 399.495 0.987 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C3)CC1 ZINC001006316000 1201895210 /nfs/dbraw/zinc/89/52/10/1201895210.db2.gz IHPZORBYMZJKFN-ILOCAZANSA-N 0 3 390.528 0.691 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(C)(C)C1 ZINC001006316818 1201895281 /nfs/dbraw/zinc/89/52/81/1201895281.db2.gz OZHJGDATTDSGAV-JJTUDDRGSA-N 0 3 390.528 0.691 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000746046065 1201896899 /nfs/dbraw/zinc/89/68/99/1201896899.db2.gz MCPRGMIZJOMENR-CYBMUJFWSA-N 0 3 398.485 0.265 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)C1 ZINC000746047185 1201896976 /nfs/dbraw/zinc/89/69/76/1201896976.db2.gz WWJRKVCCEIVVCB-CQSZACIVSA-N 0 3 397.497 0.507 20 0 GCADHN Cc1sc2ncn(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)c(=O)c2c1C ZINC000746106493 1201899608 /nfs/dbraw/zinc/89/96/08/1201899608.db2.gz MPEDMVUWAJWICU-LBPRGKRZSA-N 0 3 377.470 0.555 20 0 GCADHN COC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cc(F)ccc1F ZINC000746202270 1201902888 /nfs/dbraw/zinc/90/28/88/1201902888.db2.gz LVQVRYOOVLNBNI-MEDUHNTESA-N 0 3 383.395 0.705 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1=O ZINC000746253258 1201905047 /nfs/dbraw/zinc/90/50/47/1201905047.db2.gz JLLRVOCDALYUTK-RYUDHWBXSA-N 0 3 378.395 0.018 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1=O ZINC000746290204 1201905572 /nfs/dbraw/zinc/90/55/72/1201905572.db2.gz JFLMFBYRSAQVRP-CABCVRRESA-N 0 3 382.505 0.816 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1=O ZINC000746326025 1201909355 /nfs/dbraw/zinc/90/93/55/1201909355.db2.gz MLVZAUBLWASVDR-HUUCEWRRSA-N 0 3 382.505 0.912 20 0 GCADHN CCNC(=O)CN1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000047008944 1201911994 /nfs/dbraw/zinc/91/19/94/1201911994.db2.gz SFYVWEBCMAFPPX-UHFFFAOYSA-N 0 3 397.589 0.811 20 0 GCADHN Cn1cc(C[C@H]2CC(=O)N(CN3CCC(CN4CCOCC4)CC3)C2=O)cn1 ZINC000746373503 1201915036 /nfs/dbraw/zinc/91/50/36/1201915036.db2.gz TWLCPPIAIGVUSP-SFHVURJKSA-N 0 3 389.500 0.339 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000103122262 1201917480 /nfs/dbraw/zinc/91/74/80/1201917480.db2.gz RISXIVHQRNIXHQ-CYBMUJFWSA-N 0 3 390.406 0.164 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1 ZINC000103122710 1201917499 /nfs/dbraw/zinc/91/74/99/1201917499.db2.gz WFGZJCQXABCTCH-UHFFFAOYSA-N 0 3 382.468 0.707 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000746406926 1201918675 /nfs/dbraw/zinc/91/86/75/1201918675.db2.gz OPTBLQLNYIRSND-QWRGUYRKSA-N 0 3 375.351 0.363 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000746406586 1201919134 /nfs/dbraw/zinc/91/91/34/1201919134.db2.gz KZSQRMVBIRZGET-SJORKVTESA-N 0 3 384.440 0.244 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CCOC[C@H]3C(=O)OC)cc2)CC1 ZINC000752311482 1201924279 /nfs/dbraw/zinc/92/42/79/1201924279.db2.gz MHBOLOGJZSPCBV-SFHVURJKSA-N 0 3 390.484 0.641 20 0 GCADHN CC(C)(C)OC(=O)NCCN(CCO)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC001169079899 1201932305 /nfs/dbraw/zinc/93/23/05/1201932305.db2.gz QPAUINNJVPXAKV-UHFFFAOYSA-N 0 3 394.472 0.933 20 0 GCADHN CO[C@H]1CN([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1F ZINC001169190367 1201934873 /nfs/dbraw/zinc/93/48/73/1201934873.db2.gz FVNATPDTWJBEFB-RDBSUJKOSA-N 0 3 381.452 0.661 20 0 GCADHN COC(=O)[C@H]1CCCN1[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169194074 1201935362 /nfs/dbraw/zinc/93/53/62/1201935362.db2.gz YSZWMQXCGVHJJY-ZIAGYGMSSA-N 0 3 391.472 0.630 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001169192763 1201935598 /nfs/dbraw/zinc/93/55/98/1201935598.db2.gz QNDMFVIPOGRMGT-MELADBBJSA-N 0 3 381.452 0.397 20 0 GCADHN Cc1cc(CN[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nn1C ZINC001169170558 1201937105 /nfs/dbraw/zinc/93/71/05/1201937105.db2.gz XTAGUAHOTXJMIC-CYBMUJFWSA-N 0 3 387.488 0.824 20 0 GCADHN COC(=O)[C@@H]1CCCN1[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169178513 1201937267 /nfs/dbraw/zinc/93/72/67/1201937267.db2.gz YSZWMQXCGVHJJY-KBPBESRZSA-N 0 3 391.472 0.630 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@H]2CC[C@@H]1CO2 ZINC001169215612 1201939057 /nfs/dbraw/zinc/93/90/57/1201939057.db2.gz BFWWZPKSHZXISY-RRFJBIMHSA-N 0 3 375.473 0.856 20 0 GCADHN CCN1CCC(N2C[C@@H]3c4nc(N(C)C)ncc4CS(=O)(=O)[C@@H]3C2)CC1 ZINC001169250696 1201940735 /nfs/dbraw/zinc/94/07/35/1201940735.db2.gz QZIRWFATZYFDCV-JKSUJKDBSA-N 0 3 379.530 0.723 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-n1nncc1CN ZINC001169311370 1201941947 /nfs/dbraw/zinc/94/19/47/1201941947.db2.gz FWALSIMLDJZFBH-UHFFFAOYSA-N 0 3 380.474 0.061 20 0 GCADHN CCOC(=O)[C@H]1CC[C@@H](N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001169370660 1201943910 /nfs/dbraw/zinc/94/39/10/1201943910.db2.gz KVZMVYOGBJKJIM-PQEBFOHHSA-N 0 3 391.468 0.288 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](NCc2cc(N3CCS(=O)(=O)CC3)ccn2)CO1 ZINC001169355428 1201944092 /nfs/dbraw/zinc/94/40/92/1201944092.db2.gz FBTMOGIHXDZWEI-PBHICJAKSA-N 0 3 397.497 0.517 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CO1 ZINC001169388923 1201945264 /nfs/dbraw/zinc/94/52/64/1201945264.db2.gz QYMFFPVBZNTPDU-KFGODFMUSA-N 0 3 396.484 0.293 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)CO1 ZINC001169391579 1201945750 /nfs/dbraw/zinc/94/57/50/1201945750.db2.gz ZQHKFEMWRADMSR-ZOFXXKQRSA-N 0 3 382.457 0.740 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@H]3C(=O)N(CCOC)CCO[C@H]3C2)CO1 ZINC001169398685 1201946012 /nfs/dbraw/zinc/94/60/12/1201946012.db2.gz SUJKZHVDRNDCCJ-NCOADZHNSA-N 0 3 384.473 0.293 20 0 GCADHN CC(=O)N1CC[C@H](N[C@@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)C1 ZINC001169497582 1201949761 /nfs/dbraw/zinc/94/97/61/1201949761.db2.gz YGGAEPSOVLVVRX-UONOGXRCSA-N 0 3 387.502 0.373 20 0 GCADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN([C@@H]1CCN(C(C)=O)C1)CC2 ZINC001169549074 1201950734 /nfs/dbraw/zinc/95/07/34/1201950734.db2.gz KULQCUHEEUXHEJ-IAGOWNOFSA-N 0 3 399.557 0.902 20 0 GCADHN COC(=O)Cc1cc(N2CCCc3ccc(CN)nc32)ccc1S(N)(=O)=O ZINC001169591453 1201951832 /nfs/dbraw/zinc/95/18/32/1201951832.db2.gz JWOORMDEJMOKQX-UHFFFAOYSA-N 0 3 390.465 0.988 20 0 GCADHN CCOC(=O)N1CCC[C@@H](N2CCOC[C@@]3(CN(C(C)=O)CCO3)C2)CC1 ZINC001169690759 1201954648 /nfs/dbraw/zinc/95/46/48/1201954648.db2.gz BGFOBXJEGQSTTR-IEBWSBKVSA-N 0 3 383.489 0.947 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000767086633 1201965770 /nfs/dbraw/zinc/96/57/70/1201965770.db2.gz NZBPNDZPJCRMFE-HNNXBMFYSA-N 0 3 395.504 0.554 20 0 GCADHN C[C@H](c1nccs1)N1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC000767482463 1201975481 /nfs/dbraw/zinc/97/54/81/1201975481.db2.gz OGSONQANGUEXAZ-CQSZACIVSA-N 0 3 392.529 0.795 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cc1ccc(F)cc1 ZINC001108957298 1201984894 /nfs/dbraw/zinc/98/48/94/1201984894.db2.gz NBDAWDYXKSAYCL-XWSJACJDSA-N 0 3 377.460 0.929 20 0 GCADHN COC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cc1ccc(F)cc1 ZINC001108993454 1201987801 /nfs/dbraw/zinc/98/78/01/1201987801.db2.gz COVYNHMFALRXCA-QZWWFDLISA-N 0 3 379.432 0.807 20 0 GCADHN COC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001108996293 1201988224 /nfs/dbraw/zinc/98/82/24/1201988224.db2.gz OVLMURBYNOPULB-VRKREXBASA-N 0 3 381.429 0.235 20 0 GCADHN CCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001109081891 1201993542 /nfs/dbraw/zinc/99/35/42/1201993542.db2.gz JIIJZQJQGFVUPR-NDBYEHHHSA-N 0 3 381.395 0.174 20 0 GCADHN Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC[C@@H]2CCCO2)c1C ZINC001109101259 1201994524 /nfs/dbraw/zinc/99/45/24/1201994524.db2.gz PDWKGCAZRUVAPN-UGUYLWEFSA-N 0 3 375.473 0.657 20 0 GCADHN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C)CC2 ZINC000804362703 1201995386 /nfs/dbraw/zinc/99/53/86/1201995386.db2.gz LTXMTMQKELMAJZ-SFHVURJKSA-N 0 3 398.511 0.650 20 0 GCADHN NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccccc1F ZINC001109111868 1201996081 /nfs/dbraw/zinc/99/60/81/1201996081.db2.gz RUSQPHVXVICUFI-OHFALNGGSA-N 0 3 379.432 0.300 20 0 GCADHN CC1(C)CCCN(CCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000768119346 1202000529 /nfs/dbraw/zinc/00/05/29/1202000529.db2.gz CNTDBNSMHDABIM-CQSZACIVSA-N 0 3 398.529 0.390 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000768079840 1202000768 /nfs/dbraw/zinc/00/07/68/1202000768.db2.gz UWUSGBNJFPAUPD-HOTGVXAUSA-N 0 3 384.440 0.244 20 0 GCADHN CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1cccs1 ZINC001109194417 1202003769 /nfs/dbraw/zinc/00/37/69/1202003769.db2.gz RAPBELAQTPHKLL-VDERGJSUSA-N 0 3 381.498 0.483 20 0 GCADHN CCS(=O)(=O)NCCN[C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768204121 1202006001 /nfs/dbraw/zinc/00/60/01/1202006001.db2.gz YCZRDIGTZMZBGJ-NVXWUHKLSA-N 0 3 399.513 0.941 20 0 GCADHN O=C(CC1(O)CCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001109256404 1202009414 /nfs/dbraw/zinc/00/94/14/1202009414.db2.gz PSKIPPTWKBPWCP-RFGFWPKPSA-N 0 3 380.407 0.953 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccnn1C)C2 ZINC001109359721 1202024820 /nfs/dbraw/zinc/02/48/20/1202024820.db2.gz YYNSTEJRUKGCEO-OWSLCNJRSA-N 0 3 380.489 0.098 20 0 GCADHN CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cc1ccc(F)cc1 ZINC001109375909 1202033967 /nfs/dbraw/zinc/03/39/67/1202033967.db2.gz NFKVQMYFWCVTOS-NCOADZHNSA-N 0 3 378.448 0.380 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccnn1)C2 ZINC001109389957 1202034720 /nfs/dbraw/zinc/03/47/20/1202034720.db2.gz MMMJNGFPAZVRMR-OWSLCNJRSA-N 0 3 379.505 0.813 20 0 GCADHN Cc1nnc(-c2cccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)c2)o1 ZINC000743913995 1202038210 /nfs/dbraw/zinc/03/82/10/1202038210.db2.gz JNQMXFCYAKQKOL-HOTGVXAUSA-N 0 3 385.424 0.963 20 0 GCADHN CCc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)COC)[nH]c(C)c1C(N)=O ZINC001109400777 1202038428 /nfs/dbraw/zinc/03/84/28/1202038428.db2.gz VQHFFBRICAISDU-UXOAXIEHSA-N 0 3 378.473 0.327 20 0 GCADHN CN(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC1CC1)C1CC1 ZINC001109402430 1202039204 /nfs/dbraw/zinc/03/92/04/1202039204.db2.gz QMLFNAUIKANWPU-AESZEHBQSA-N 0 3 377.489 0.036 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000768957552 1202041080 /nfs/dbraw/zinc/04/10/80/1202041080.db2.gz RSXNBSOIBIPLIU-MRXNPFEDSA-N 0 3 381.502 0.723 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001109416594 1202042998 /nfs/dbraw/zinc/04/29/98/1202042998.db2.gz NABWLYIXYLVTGK-AIANPOQGSA-N 0 3 378.473 0.149 20 0 GCADHN CCc1c[nH]c(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOCCNC(C)=O)n1 ZINC001109416480 1202043012 /nfs/dbraw/zinc/04/30/12/1202043012.db2.gz HMMNVOHYCZKGBL-IKGGRYGDSA-N 0 3 377.489 0.389 20 0 GCADHN CN(C)S(=O)(=O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001109420573 1202045052 /nfs/dbraw/zinc/04/50/52/1202045052.db2.gz IBVUDMKJYICAOU-NPCUJANDSA-N 0 3 395.529 0.516 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)C2 ZINC001109420988 1202045434 /nfs/dbraw/zinc/04/54/34/1202045434.db2.gz WPKOLZXYYZSJMP-HOSILWTGSA-N 0 3 375.425 0.360 20 0 GCADHN CCCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109428020 1202047152 /nfs/dbraw/zinc/04/71/52/1202047152.db2.gz IRKQVDPENOSULN-AESZEHBQSA-N 0 3 381.521 0.530 20 0 GCADHN C[C@@H]1CN(C(=O)COCCOCC(=O)N2C[C@H](C)N(C)C[C@@H]2C)[C@H](C)CN1C ZINC000769147292 1202047834 /nfs/dbraw/zinc/04/78/34/1202047834.db2.gz WYCOXLXPAVHMAZ-USTZCAOPSA-N 0 3 398.548 0.122 20 0 GCADHN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000769251344 1202052573 /nfs/dbraw/zinc/05/25/73/1202052573.db2.gz DDVGBADNVKRJHZ-CABCVRRESA-N 0 3 386.452 0.514 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000769268794 1202053464 /nfs/dbraw/zinc/05/34/64/1202053464.db2.gz RZZLJBHAHHFZEM-UHFFFAOYSA-N 0 3 378.429 0.008 20 0 GCADHN CN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)CN2CCOCC2)C3)C1=O ZINC001109447617 1202053552 /nfs/dbraw/zinc/05/35/52/1202053552.db2.gz WZRHSAGPCJHXTK-LTIDMASMSA-N 0 3 378.517 0.297 20 0 GCADHN NC(=O)C1CCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CC1 ZINC000746497794 1202056193 /nfs/dbraw/zinc/05/61/93/1202056193.db2.gz LXMVBOFTLIDMKT-OAQYLSRUSA-N 0 3 399.495 0.728 20 0 GCADHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@@H]1CCOC1 ZINC001109463877 1202056955 /nfs/dbraw/zinc/05/69/55/1202056955.db2.gz BEFNAYTVQMXQHW-YVSFHVDLSA-N 0 3 380.533 0.591 20 0 GCADHN CCCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109466267 1202057076 /nfs/dbraw/zinc/05/70/76/1202057076.db2.gz SDRRQQDJEPIBCS-ILXRZTDVSA-N 0 3 381.521 0.674 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1ccc(OC)cc1)C2 ZINC001109481130 1202060204 /nfs/dbraw/zinc/06/02/04/1202060204.db2.gz UJIANWJMVUCKFK-FPAYPSAMSA-N 0 3 378.469 0.941 20 0 GCADHN C[C@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1CCC3)C2)CS(C)(=O)=O ZINC001109480976 1202060313 /nfs/dbraw/zinc/06/03/13/1202060313.db2.gz LRPUOOGGDVWKJN-MPTQWLOMSA-N 0 3 380.514 0.914 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CNC(C)=O)cc1)C2 ZINC001109491014 1202064474 /nfs/dbraw/zinc/06/44/74/1202064474.db2.gz CEBCYAABVXZULG-YRXWBPOGSA-N 0 3 375.469 0.665 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000769635720 1202065096 /nfs/dbraw/zinc/06/50/96/1202065096.db2.gz OMOJUPXKMZKGQT-UHFFFAOYSA-N 0 3 381.454 0.038 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)cc1C)C2 ZINC001109502753 1202067535 /nfs/dbraw/zinc/06/75/35/1202067535.db2.gz TXRHAECJMDCUAU-OWSLCNJRSA-N 0 3 380.489 0.245 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C(N)=O)cc1)C2 ZINC001109518088 1202070942 /nfs/dbraw/zinc/07/09/42/1202070942.db2.gz SYJFBWJJMVOZLH-OWSLCNJRSA-N 0 3 375.469 0.447 20 0 GCADHN CCc1nc(C)c(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)COC)c(C)n1 ZINC001109537063 1202075216 /nfs/dbraw/zinc/07/52/16/1202075216.db2.gz GLTXQWIUZIQVRD-LMSBXDPUSA-N 0 3 376.501 0.927 20 0 GCADHN CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1C ZINC001109564182 1202081649 /nfs/dbraw/zinc/08/16/49/1202081649.db2.gz FNKWKFZITBIXJR-IKGGRYGDSA-N 0 3 380.514 0.579 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc(C)no1)C2 ZINC001109583102 1202084830 /nfs/dbraw/zinc/08/48/30/1202084830.db2.gz CSTOWMINOSXQOF-PMPSAXMXSA-N 0 3 379.461 0.185 20 0 GCADHN COCCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001109589735 1202086413 /nfs/dbraw/zinc/08/64/13/1202086413.db2.gz CIXIYWBALSEKDI-IKGGRYGDSA-N 0 3 380.533 0.735 20 0 GCADHN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(C)(C)CC(=O)OC)C1=O ZINC000770195139 1202088176 /nfs/dbraw/zinc/08/81/76/1202088176.db2.gz QOGYRSBXJDRBOJ-LJQANCHMSA-N 0 3 390.440 0.806 20 0 GCADHN CC[C@H](N[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C(N)=O ZINC001170013386 1202088880 /nfs/dbraw/zinc/08/88/80/1202088880.db2.gz GHVXAAXDXLRHIS-AVGNSLFASA-N 0 3 386.518 0.751 20 0 GCADHN CN(C)C(=O)CN[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013607 1202089487 /nfs/dbraw/zinc/08/94/87/1202089487.db2.gz IICSUUNQSGTRLS-STQMWFEESA-N 0 3 386.518 0.575 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2COC[C@H]2O)C[C@H]1C(=O)N1CCSC1 ZINC001170013869 1202093916 /nfs/dbraw/zinc/09/39/16/1202093916.db2.gz LQGGZNVWWMVPMG-YIYPIFLZSA-N 0 3 387.502 0.247 20 0 GCADHN COC(=O)N1CC(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000770341898 1202095542 /nfs/dbraw/zinc/09/55/42/1202095542.db2.gz PFBVLALSEGFEEQ-UHFFFAOYSA-N 0 3 389.500 0.944 20 0 GCADHN NS(=O)(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(CO)cc1 ZINC001109657403 1202099777 /nfs/dbraw/zinc/09/97/77/1202099777.db2.gz NRXXWVFNXBTCSF-IKGGRYGDSA-N 0 3 381.498 0.469 20 0 GCADHN COC(=O)c1ccc2c(c1)CN(CN1C(=O)NC3(CCN(C)CC3)C1=O)CC2 ZINC000770652100 1202107494 /nfs/dbraw/zinc/10/74/94/1202107494.db2.gz RPTPUXNMJMHRNR-UHFFFAOYSA-N 0 3 386.452 0.805 20 0 GCADHN Cn1ncc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1C1CC1 ZINC000770714150 1202110178 /nfs/dbraw/zinc/11/01/78/1202110178.db2.gz ABDGIYLKGQIBAA-QGZVFWFLSA-N 0 3 397.479 0.771 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(N)=O)[nH]1)C2 ZINC001109722921 1202112848 /nfs/dbraw/zinc/11/28/48/1202112848.db2.gz LIURCKZPQRYCLK-OMNBBPDLSA-N 0 3 378.473 0.482 20 0 GCADHN Cc1nnc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C3)[n-]1 ZINC001109735648 1202115217 /nfs/dbraw/zinc/11/52/17/1202115217.db2.gz QFRMGUPLVSSXHQ-ORQFMDKSSA-N 0 3 376.505 0.836 20 0 GCADHN CCOCCCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnc[nH]1)C2 ZINC001109762687 1202119524 /nfs/dbraw/zinc/11/95/24/1202119524.db2.gz BACIDBKRKUHLCT-SIXLDLHFSA-N 0 3 377.489 0.605 20 0 GCADHN C[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C2 ZINC001109772724 1202120826 /nfs/dbraw/zinc/12/08/26/1202120826.db2.gz RAXVSYLDAVAXTI-ORQFMDKSSA-N 0 3 380.514 0.865 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1ccnc1)C2 ZINC001109772590 1202120865 /nfs/dbraw/zinc/12/08/65/1202120865.db2.gz OSZBTACVHHTSNC-RANZSIQMSA-N 0 3 377.489 0.708 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(N3CCOCC3)CCCC1)C2 ZINC001109776118 1202121811 /nfs/dbraw/zinc/12/18/11/1202121811.db2.gz BNKBWUONLAGRQO-BDXSIMOUSA-N 0 3 381.517 0.360 20 0 GCADHN CCNC(=O)CN[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170020779 1202122974 /nfs/dbraw/zinc/12/29/74/1202122974.db2.gz RJSWZQOBWIJUED-OLZOCXBDSA-N 0 3 386.518 0.623 20 0 GCADHN CN1CC[C@H](N[C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1=O ZINC001170020848 1202123080 /nfs/dbraw/zinc/12/30/80/1202123080.db2.gz RVOHEFSVUPKLNJ-RDBSUJKOSA-N 0 3 398.529 0.718 20 0 GCADHN CCCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC3(C1)NC(=O)NC3=O)C2 ZINC001109826350 1202130147 /nfs/dbraw/zinc/13/01/47/1202130147.db2.gz DGPQXACMDXYUFW-YOJXYVBWSA-N 0 3 378.473 0.513 20 0 GCADHN CC(C)c1nc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)n[nH]1 ZINC001109848054 1202135117 /nfs/dbraw/zinc/13/51/17/1202135117.db2.gz TYTNJVDTIWQIFA-PMPSAXMXSA-N 0 3 376.505 0.872 20 0 GCADHN CS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3nc[nH]c31)C2 ZINC001109873305 1202139497 /nfs/dbraw/zinc/13/94/97/1202139497.db2.gz QRLFHVPKAUYAAK-UGFHNGPFSA-N 0 3 377.470 0.447 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnccn1)C2 ZINC001109932197 1202152870 /nfs/dbraw/zinc/15/28/70/1202152870.db2.gz FNQZVCCZTSCHIQ-OWSLCNJRSA-N 0 3 378.473 0.155 20 0 GCADHN O=S(=O)(Cc1noc([C@@]2(O)CCN(Cc3ccccc3)C2)n1)NC1CC1 ZINC000771641161 1202155245 /nfs/dbraw/zinc/15/52/45/1202155245.db2.gz NKSRMZCGFRZGFZ-QGZVFWFLSA-N 0 3 378.454 0.745 20 0 GCADHN COCCCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCc2ncnn21 ZINC001109948428 1202156438 /nfs/dbraw/zinc/15/64/38/1202156438.db2.gz QQVOGJPRHVEXQF-NCOADZHNSA-N 0 3 377.489 0.930 20 0 GCADHN CN(C)C1(CNS(=O)(=O)CCNC(=O)OCc2ccccc2)CCOCC1 ZINC000771757629 1202157796 /nfs/dbraw/zinc/15/77/96/1202157796.db2.gz YDXFSTVRBARNGJ-UHFFFAOYSA-N 0 3 399.513 0.943 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)C2 ZINC001109987871 1202167753 /nfs/dbraw/zinc/16/77/53/1202167753.db2.gz MOMANBJQVHKIDU-OWSLCNJRSA-N 0 3 375.469 0.731 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O)C(C)C ZINC001110010173 1202173461 /nfs/dbraw/zinc/17/34/61/1202173461.db2.gz HSLPZJORBOJECC-VUHPKUFZSA-N 0 3 378.517 0.881 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)NC(C)(C)C1=O ZINC001110022392 1202175989 /nfs/dbraw/zinc/17/59/89/1202175989.db2.gz WHLVBPFGCTVTOU-ILXRZTDVSA-N 0 3 379.505 0.380 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3cc[nH]c13)C2 ZINC001110034887 1202178135 /nfs/dbraw/zinc/17/81/35/1202178135.db2.gz RUTXNLYVUBIAAE-VRKREXBASA-N 0 3 377.445 0.021 20 0 GCADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)N(C)CCN(C)C2CC2)n1 ZINC000787575480 1205393852 /nfs/dbraw/zinc/39/38/52/1205393852.db2.gz IBCCSTRETCCKFO-UHFFFAOYSA-N 0 3 399.517 0.117 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000787648373 1205397550 /nfs/dbraw/zinc/39/75/50/1205397550.db2.gz BVXCKEYCEMBJPS-OAHLLOKOSA-N 0 3 382.505 0.960 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000787663642 1205398377 /nfs/dbraw/zinc/39/83/77/1205398377.db2.gz IQZGDTUHBUSTCM-OAHLLOKOSA-N 0 3 382.505 0.960 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000787663998 1205398407 /nfs/dbraw/zinc/39/84/07/1205398407.db2.gz LLMDXMVZKUDJPS-OAHLLOKOSA-N 0 3 382.505 0.818 20 0 GCADHN CC1(CCNC(=O)C(=O)NCCCN2CCc3ccccc3C2)OCCO1 ZINC000787706447 1205399347 /nfs/dbraw/zinc/39/93/47/1205399347.db2.gz AQPMUSCWPXPXLY-UHFFFAOYSA-N 0 3 375.469 0.820 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000787751012 1205399875 /nfs/dbraw/zinc/39/98/75/1205399875.db2.gz JMAJFDMPKURXNY-BPQIPLTHSA-N 0 3 391.516 0.825 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@H](C3(C)OCCO3)C2)CC1 ZINC000787905807 1205406531 /nfs/dbraw/zinc/40/65/31/1205406531.db2.gz ZJQXPWNLQRZIBG-KRWDZBQOSA-N 0 3 396.532 0.132 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000787911631 1205407407 /nfs/dbraw/zinc/40/74/07/1205407407.db2.gz PUSPZWMSAZXDCM-UHFFFAOYSA-N 0 3 381.908 0.538 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000787912987 1205408064 /nfs/dbraw/zinc/40/80/64/1205408064.db2.gz TZXHHTXXLRYXNU-QGZVFWFLSA-N 0 3 396.532 0.322 20 0 GCADHN C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000787978250 1205411729 /nfs/dbraw/zinc/41/17/29/1205411729.db2.gz XLVIDZGCMIUDOE-GOEBONIOSA-N 0 3 376.457 0.092 20 0 GCADHN C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000787978251 1205411819 /nfs/dbraw/zinc/41/18/19/1205411819.db2.gz XLVIDZGCMIUDOE-HOCLYGCPSA-N 0 3 376.457 0.092 20 0 GCADHN CC(C)Oc1ccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000787983513 1205412052 /nfs/dbraw/zinc/41/20/52/1205412052.db2.gz PIYADGVTYGUWAS-CVEARBPZSA-N 0 3 376.457 0.464 20 0 GCADHN C[C@H]1C(=O)NCCCN1CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000788043698 1205412556 /nfs/dbraw/zinc/41/25/56/1205412556.db2.gz HAIRJQUJMTZJGM-KKSFZXQISA-N 0 3 399.495 0.741 20 0 GCADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000788241161 1205416966 /nfs/dbraw/zinc/41/69/66/1205416966.db2.gz CKERRUKCQXTOHR-MAUKXSAKSA-N 0 3 377.514 0.832 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CCSC1 ZINC000788239856 1205416995 /nfs/dbraw/zinc/41/69/95/1205416995.db2.gz ABNAYTGMZPOBBU-KDOFPFPSSA-N 0 3 385.530 0.542 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CCSC1 ZINC000788241224 1205417053 /nfs/dbraw/zinc/41/70/53/1205417053.db2.gz CWLQANMEHLTZJH-YOEHRIQHSA-N 0 3 385.530 0.732 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)NC(=O)OC(C)(C)C ZINC000788242565 1205417087 /nfs/dbraw/zinc/41/70/87/1205417087.db2.gz JQFRLYBKXDZCAL-SJCJKPOMSA-N 0 3 388.534 0.569 20 0 GCADHN O=C(NCc1ccc(Cn2cccn2)cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000788465426 1205423581 /nfs/dbraw/zinc/42/35/81/1205423581.db2.gz XIHWKAARLAKOAM-RBUKOAKNSA-N 0 3 397.479 0.527 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788557071 1205425166 /nfs/dbraw/zinc/42/51/66/1205425166.db2.gz KDFMXMJHQCWNPZ-LLVKDONJSA-N 0 3 396.435 0.121 20 0 GCADHN O=C(NC[C@@H]1CCN(c2ccccc2)C1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000788812825 1205429777 /nfs/dbraw/zinc/42/97/77/1205429777.db2.gz FWFVSEAAFIGGAU-YTQUADARSA-N 0 3 386.496 0.609 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)c3ncnn3C)cc2)CC1 ZINC000789615371 1205443782 /nfs/dbraw/zinc/44/37/82/1205443782.db2.gz XSTMPHMREGIYQO-CQSZACIVSA-N 0 3 385.472 0.773 20 0 GCADHN CCOC(=O)N[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)CC(C)C ZINC000789929130 1205451720 /nfs/dbraw/zinc/45/17/20/1205451720.db2.gz JUGCCHTWPHZTOL-CVEARBPZSA-N 0 3 382.505 0.960 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000790191268 1205458268 /nfs/dbraw/zinc/45/82/68/1205458268.db2.gz MRETUCYDABVATB-HAWMADMCSA-N 0 3 388.578 0.040 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCc2ccccc2OC1)CN1CCN(C)CC1 ZINC000790193977 1205458517 /nfs/dbraw/zinc/45/85/17/1205458517.db2.gz FEUGBLUGOJIFBH-AEFFLSMTSA-N 0 3 388.512 0.496 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2C2OCCO2)CC1 ZINC000790208035 1205458820 /nfs/dbraw/zinc/45/88/20/1205458820.db2.gz GQQXLYGEYQVSMK-DLBZAZTESA-N 0 3 396.532 0.130 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000790193443 1205458921 /nfs/dbraw/zinc/45/89/21/1205458921.db2.gz ARKWQRLUAMULDB-GJZGRUSLSA-N 0 3 399.536 0.016 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000790193445 1205459083 /nfs/dbraw/zinc/45/90/83/1205459083.db2.gz ARKWQRLUAMULDB-LSDHHAIUSA-N 0 3 399.536 0.016 20 0 GCADHN COC(=O)CCN(CN1C[C@]2(CN3CCC2CC3)OC1=O)C1CCOCC1 ZINC000790363443 1205462723 /nfs/dbraw/zinc/46/27/23/1205462723.db2.gz AVMZZNQWXPHSAH-IBGZPJMESA-N 0 3 381.473 0.905 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000790471373 1205465243 /nfs/dbraw/zinc/46/52/43/1205465243.db2.gz JZYFZYMIRZGGMI-CABCVRRESA-N 0 3 380.489 0.809 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001110094314 1205480783 /nfs/dbraw/zinc/48/07/83/1205480783.db2.gz VGSNPVOUEALJBO-PMPSAXMXSA-N 0 3 378.517 0.883 20 0 GCADHN CC(C)N1CCN(CCCOC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC000792034797 1205483632 /nfs/dbraw/zinc/48/36/32/1205483632.db2.gz AACHXUMPNMFVEK-INIZCTEOSA-N 0 3 390.546 0.928 20 0 GCADHN C[C@@H](CNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)N1CCN(C)CC1 ZINC000792168846 1205484429 /nfs/dbraw/zinc/48/44/29/1205484429.db2.gz CFUNBMZRPQZVKZ-KRWDZBQOSA-N 0 3 397.564 0.681 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000792247809 1205485424 /nfs/dbraw/zinc/48/54/24/1205485424.db2.gz DYZKOQLNIARYBX-HNNXBMFYSA-N 0 3 397.520 0.849 20 0 GCADHN C[C@@H](Cc1ccccc1Cl)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001170264317 1205489995 /nfs/dbraw/zinc/48/99/95/1205489995.db2.gz WYRVKXDWZUQFEQ-WFASDCNBSA-N 0 3 380.876 0.453 20 0 GCADHN C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1=O ZINC000793469837 1205498951 /nfs/dbraw/zinc/49/89/51/1205498951.db2.gz SMKPBJNICNXRED-CHWSQXEVSA-N 0 3 392.422 0.314 20 0 GCADHN CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793712438 1205502999 /nfs/dbraw/zinc/50/29/99/1205502999.db2.gz NPELDFMVTMRDEM-IAGOWNOFSA-N 0 3 380.533 0.988 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1)N1CCCCC1 ZINC000793725138 1205503698 /nfs/dbraw/zinc/50/36/98/1205503698.db2.gz PUGZLFWMRFWAQS-KRWDZBQOSA-N 0 3 382.549 0.794 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1)N1CCCCC1 ZINC000793695655 1205504064 /nfs/dbraw/zinc/50/40/64/1205504064.db2.gz DQFNHXMWLTZUIT-LSDHHAIUSA-N 0 3 377.464 0.906 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793698476 1205504082 /nfs/dbraw/zinc/50/40/82/1205504082.db2.gz JRVRBLWLZQABBG-CHWSQXEVSA-N 0 3 392.422 0.647 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1)N1CCCCC1 ZINC000793707259 1205504608 /nfs/dbraw/zinc/50/46/08/1205504608.db2.gz GHIPCGHFEJKLAH-DOTOQJQBSA-N 0 3 391.516 0.683 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)N1CCCCC1 ZINC000793706324 1205504649 /nfs/dbraw/zinc/50/46/49/1205504649.db2.gz GKCMUVNZWPEATF-KURKYZTESA-N 0 3 380.533 0.737 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)NC[C@H](C)N3CCCCC3)CC2)no1 ZINC000793706534 1205504694 /nfs/dbraw/zinc/50/46/94/1205504694.db2.gz FGWRGXKQNZFZOH-HNNXBMFYSA-N 0 3 377.489 0.618 20 0 GCADHN Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000793760299 1205504869 /nfs/dbraw/zinc/50/48/69/1205504869.db2.gz FDHLEGCQBKRGIM-JZXOWHBKSA-N 0 3 375.469 0.858 20 0 GCADHN O=C(NCc1cccc2c1OCCCO2)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793738610 1205505594 /nfs/dbraw/zinc/50/55/94/1205505594.db2.gz WJRATNHDZLKMAK-HZPDHXFCSA-N 0 3 389.452 0.444 20 0 GCADHN COCCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793804200 1205506391 /nfs/dbraw/zinc/50/63/91/1205506391.db2.gz WJUKOTPRHXMEBK-IAGOWNOFSA-N 0 3 391.468 0.307 20 0 GCADHN O=C(NCCN1CCc2sccc2C1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793865350 1205507996 /nfs/dbraw/zinc/50/79/96/1205507996.db2.gz KUFNGDDALGEFOY-HZPDHXFCSA-N 0 3 392.525 0.202 20 0 GCADHN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000793866014 1205508227 /nfs/dbraw/zinc/50/82/27/1205508227.db2.gz NDTRIFIGXYNZEN-CABCVRRESA-N 0 3 392.525 0.999 20 0 GCADHN CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000793903083 1205508979 /nfs/dbraw/zinc/50/89/79/1205508979.db2.gz UFVWYXYOFIDQDU-OWCLPIDISA-N 0 3 382.505 0.960 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000793934733 1205509883 /nfs/dbraw/zinc/50/98/83/1205509883.db2.gz CCCPXYNFXVMARW-ZFWWWQNUSA-N 0 3 382.505 0.959 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000793934730 1205509915 /nfs/dbraw/zinc/50/99/15/1205509915.db2.gz CCCPXYNFXVMARW-DZGCQCFKSA-N 0 3 382.505 0.959 20 0 GCADHN Cc1nc(Cn2nnc(NC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c2C)no1 ZINC000794369848 1205513615 /nfs/dbraw/zinc/51/36/15/1205513615.db2.gz SUUAQFKWHOAKRK-OLZOCXBDSA-N 0 3 376.421 0.311 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)OCC(C)C)CC1 ZINC000804420470 1205515204 /nfs/dbraw/zinc/51/52/04/1205515204.db2.gz JECPFKQPUVFVPT-MRXNPFEDSA-N 0 3 382.505 0.914 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(C)CCN(C)C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000804600734 1205518659 /nfs/dbraw/zinc/51/86/59/1205518659.db2.gz DPAMGFQCXKIOFK-CQSZACIVSA-N 0 3 394.491 0.984 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1)N1CCC[C@H](C)C1 ZINC000804751035 1205523234 /nfs/dbraw/zinc/52/32/34/1205523234.db2.gz SHSIMDVKNKBMSC-KBPBESRZSA-N 0 3 382.505 0.959 20 0 GCADHN Cn1ccnc1[C@H](O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000804728981 1205523968 /nfs/dbraw/zinc/52/39/68/1205523968.db2.gz ATOFJGWUXHMKFV-IAGOWNOFSA-N 0 3 389.500 0.293 20 0 GCADHN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804732992 1205524415 /nfs/dbraw/zinc/52/44/15/1205524415.db2.gz AAFMBWGFVQQBJV-BHYGNILZSA-N 0 3 394.516 0.960 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000804731827 1205524457 /nfs/dbraw/zinc/52/44/57/1205524457.db2.gz WEYDUZHAVXUYIU-BBRMVZONSA-N 0 3 380.489 0.570 20 0 GCADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1n1ccnn1 ZINC001129939712 1205525100 /nfs/dbraw/zinc/52/51/00/1205525100.db2.gz SWCWAKWTNXJXCN-IECFSIQFSA-N 0 3 393.488 0.096 20 0 GCADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H]1n1ccnn1 ZINC001130017677 1205528759 /nfs/dbraw/zinc/52/87/59/1205528759.db2.gz STIQYUAKSFVOPK-VQHPVUNQSA-N 0 3 389.456 0.679 20 0 GCADHN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000804927915 1205528999 /nfs/dbraw/zinc/52/89/99/1205528999.db2.gz KGLZNYKHTAAJPM-CVEARBPZSA-N 0 3 382.505 0.912 20 0 GCADHN CCOC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000805156542 1205532876 /nfs/dbraw/zinc/53/28/76/1205532876.db2.gz ZBIWYRXMUHZDLC-UHFFFAOYSA-N 0 3 398.504 0.293 20 0 GCADHN COC(=O)N1CCC(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000805187119 1205533256 /nfs/dbraw/zinc/53/32/56/1205533256.db2.gz YUFZWDOAINLDIN-MRXNPFEDSA-N 0 3 397.520 0.707 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000747235565 1205534397 /nfs/dbraw/zinc/53/43/97/1205534397.db2.gz DJDSBEGCDANNJN-HOTGVXAUSA-N 0 3 379.482 0.720 20 0 GCADHN CN(CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1=NS(=O)(=O)c2ccccc21 ZINC000747237641 1205534485 /nfs/dbraw/zinc/53/44/85/1205534485.db2.gz YLAAKSCIQFIINA-ZIAGYGMSSA-N 0 3 392.481 0.047 20 0 GCADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)[n-]1 ZINC001130242286 1205539452 /nfs/dbraw/zinc/53/94/52/1205539452.db2.gz PNNHPDZNECDUAO-XQLPTFJDSA-N 0 3 390.488 0.065 20 0 GCADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000806235870 1205552241 /nfs/dbraw/zinc/55/22/41/1205552241.db2.gz DVUISCZERWODDF-KRWDZBQOSA-N 0 3 388.516 0.421 20 0 GCADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000806240232 1205552511 /nfs/dbraw/zinc/55/25/11/1205552511.db2.gz VDTJURXWWYBWFB-QAPCUYQASA-N 0 3 389.500 0.848 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000806327584 1205554507 /nfs/dbraw/zinc/55/45/07/1205554507.db2.gz MKRCWSHMIOLLQC-SQNIBIBYSA-N 0 3 391.516 0.825 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1 ZINC000806329279 1205554534 /nfs/dbraw/zinc/55/45/34/1205554534.db2.gz PPWJFPUTIMZECA-HOCLYGCPSA-N 0 3 382.505 0.960 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000806330662 1205554641 /nfs/dbraw/zinc/55/46/41/1205554641.db2.gz QNPKNIANGPUGCC-BBWFWOEESA-N 0 3 391.516 0.683 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCC2(C)OCCO2)C1 ZINC000806374909 1205556137 /nfs/dbraw/zinc/55/61/37/1205556137.db2.gz QJRRSFDHPVLLOL-KRWDZBQOSA-N 0 3 375.469 0.989 20 0 GCADHN CNC(=O)OC[C@@H]1CCCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000806675668 1205561528 /nfs/dbraw/zinc/56/15/28/1205561528.db2.gz UKZLCGKAHXJDHC-HOTGVXAUSA-N 0 3 397.520 0.849 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000806696756 1205562946 /nfs/dbraw/zinc/56/29/46/1205562946.db2.gz DQPRIIBDDYTMAV-SJORKVTESA-N 0 3 397.516 0.748 20 0 GCADHN O=C(NC[C@H]1COC2(CCOCC2)O1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000806712940 1205564926 /nfs/dbraw/zinc/56/49/26/1205564926.db2.gz FAYPVAYODYKQHX-KRWDZBQOSA-N 0 3 395.500 0.502 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000806718413 1205565570 /nfs/dbraw/zinc/56/55/70/1205565570.db2.gz VPHXSUDQCQWXTE-HNNXBMFYSA-N 0 3 383.489 0.358 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806788616 1205567244 /nfs/dbraw/zinc/56/72/44/1205567244.db2.gz GHCJIFKRFTWOHU-ZDUSSCGKSA-N 0 3 390.406 0.306 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)CC1(C)OCCO1 ZINC000806788436 1205567385 /nfs/dbraw/zinc/56/73/85/1205567385.db2.gz UAJOQVNEAUCGQA-OAHLLOKOSA-N 0 3 384.521 0.034 20 0 GCADHN COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000806918727 1205569255 /nfs/dbraw/zinc/56/92/55/1205569255.db2.gz GXPKARDUORUBBG-CYBMUJFWSA-N 0 3 397.497 0.779 20 0 GCADHN CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000806902642 1205569630 /nfs/dbraw/zinc/56/96/30/1205569630.db2.gz AMJHOVYROAWNND-IAGOWNOFSA-N 0 3 388.468 0.696 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC000807457265 1205581845 /nfs/dbraw/zinc/58/18/45/1205581845.db2.gz ALTLFHMXHJDOKM-UHFFFAOYSA-N 0 3 399.561 0.097 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000807586544 1205585289 /nfs/dbraw/zinc/58/52/89/1205585289.db2.gz CNCCBCVILYQZFK-QGZVFWFLSA-N 0 3 390.484 0.253 20 0 GCADHN CS[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000807765868 1205589773 /nfs/dbraw/zinc/58/97/73/1205589773.db2.gz SPAAVNPFIIZJHK-CABCVRRESA-N 0 3 382.530 0.153 20 0 GCADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000807840938 1205591309 /nfs/dbraw/zinc/59/13/09/1205591309.db2.gz OEFOXQYOKZHNSR-SFHVURJKSA-N 0 3 388.512 0.746 20 0 GCADHN NC(=O)[C@H]1CC(C(=O)N[C@H](CO)CN2CCCCC2)=NN1c1ccc(F)cc1 ZINC000808081455 1205598532 /nfs/dbraw/zinc/59/85/32/1205598532.db2.gz OSSXRNVRSJHVMN-WMLDXEAASA-N 0 3 391.447 0.209 20 0 GCADHN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000808042087 1205598559 /nfs/dbraw/zinc/59/85/59/1205598559.db2.gz FMZQDSFDEYMCRX-JKSUJKDBSA-N 0 3 382.505 0.914 20 0 GCADHN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000808156102 1205600751 /nfs/dbraw/zinc/60/07/51/1205600751.db2.gz ACGCSINYPAMHMF-MRUHUIDDSA-N 0 3 398.463 0.047 20 0 GCADHN CON(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC000808156933 1205600794 /nfs/dbraw/zinc/60/07/94/1205600794.db2.gz DFATVGAQQOBRGB-GJZGRUSLSA-N 0 3 383.470 0.150 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000808175308 1205600985 /nfs/dbraw/zinc/60/09/85/1205600985.db2.gz ZPMSVDQLJXGJQW-ZACQAIPSSA-N 0 3 386.452 0.617 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000808175301 1205601017 /nfs/dbraw/zinc/60/10/17/1205601017.db2.gz ZPMSVDQLJXGJQW-BRWVUGGUSA-N 0 3 386.452 0.617 20 0 GCADHN CCOC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(CC(C)(C)O)[C@H](C)C2)C1=O ZINC000808181006 1205601414 /nfs/dbraw/zinc/60/14/14/1205601414.db2.gz UMRBTANXMUZWMS-AUUYWEPGSA-N 0 3 398.504 0.375 20 0 GCADHN COc1cccc(C[C@H](C(=O)N[C@H](CO)CN2CCCC2)n2nnnc2C)c1 ZINC000808219555 1205602811 /nfs/dbraw/zinc/60/28/11/1205602811.db2.gz OSGZKLAXEWATEQ-FUHWJXTLSA-N 0 3 388.472 0.347 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000808223561 1205603068 /nfs/dbraw/zinc/60/30/68/1205603068.db2.gz NNIXQZSRNSPYCY-BHYGNILZSA-N 0 3 395.500 0.541 20 0 GCADHN NC(=O)C[C@H]1CCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000808227803 1205603155 /nfs/dbraw/zinc/60/31/55/1205603155.db2.gz DNWPHFZXQSOBPU-DYESRHJHSA-N 0 3 399.495 0.728 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)CC1=O ZINC000808269490 1205604463 /nfs/dbraw/zinc/60/44/63/1205604463.db2.gz JQYYWXWSAMYFRB-INIZCTEOSA-N 0 3 386.456 0.176 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccccc2NC(=O)OC)CC1=O ZINC000808269797 1205604520 /nfs/dbraw/zinc/60/45/20/1205604520.db2.gz NSFBRYDXZMYCCY-CQSZACIVSA-N 0 3 392.456 0.774 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc3ccccc3oc2=O)CC1=O ZINC000808270247 1205604570 /nfs/dbraw/zinc/60/45/70/1205604570.db2.gz UIVVMBYNZQJIBR-HNNXBMFYSA-N 0 3 387.436 0.702 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccccc2NC(=O)OC)CC1=O ZINC000808269796 1205604653 /nfs/dbraw/zinc/60/46/53/1205604653.db2.gz NSFBRYDXZMYCCY-AWEZNQCLSA-N 0 3 392.456 0.774 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2c(Cl)nc3ccccn32)CC1=O ZINC000808269848 1205604694 /nfs/dbraw/zinc/60/46/94/1205604694.db2.gz OGVLOUROVHPHHH-CYBMUJFWSA-N 0 3 393.875 0.897 20 0 GCADHN CCOC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000808270484 1205604943 /nfs/dbraw/zinc/60/49/43/1205604943.db2.gz XPMUHJRXOBSCMX-CVEARBPZSA-N 0 3 398.504 0.150 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000747481898 1205605570 /nfs/dbraw/zinc/60/55/70/1205605570.db2.gz KSMRACGRGMPUFV-CQSZACIVSA-N 0 3 381.498 0.813 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CC[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC000808751909 1205611391 /nfs/dbraw/zinc/61/13/91/1205611391.db2.gz ORURXABAQBZVHU-VQIMIIECSA-N 0 3 376.501 0.442 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1COC2=O ZINC000808923352 1205614383 /nfs/dbraw/zinc/61/43/83/1205614383.db2.gz NXHXGGWUJIDEQB-ZDUSSCGKSA-N 0 3 375.425 0.865 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CC(=O)N(C)C[C@H]2C)CC1 ZINC000808934213 1205614654 /nfs/dbraw/zinc/61/46/54/1205614654.db2.gz WOLQXGCDMHKOCG-CABCVRRESA-N 0 3 387.484 0.412 20 0 GCADHN C[C@H](NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)NC(=O)NC1CCCCC1 ZINC001131516569 1205615416 /nfs/dbraw/zinc/61/54/16/1205615416.db2.gz HRUUSWLRRPEMLX-JOWCLZMLSA-N 0 3 392.500 0.663 20 0 GCADHN CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001131531898 1205616399 /nfs/dbraw/zinc/61/63/99/1205616399.db2.gz OFZBWLGGTORKFI-VBYALHQYSA-N 0 3 393.528 0.923 20 0 GCADHN CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001131531764 1205616410 /nfs/dbraw/zinc/61/64/10/1205616410.db2.gz HGZOYRCQCSWFJN-WTPKRDNOSA-N 0 3 377.485 0.142 20 0 GCADHN CN(Cc1ccccc1F)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131522160 1205616818 /nfs/dbraw/zinc/61/68/18/1205616818.db2.gz UZTGKGIJTSVHTR-KSTXQTNUSA-N 0 3 375.444 0.913 20 0 GCADHN COc1ccc(CN(C)C(=O)CNCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001131524103 1205617089 /nfs/dbraw/zinc/61/70/89/1205617089.db2.gz ATSFPJWYMFXRQW-GJNTUIEKSA-N 0 3 387.480 0.783 20 0 GCADHN COc1ccccc1CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131524890 1205617129 /nfs/dbraw/zinc/61/71/29/1205617129.db2.gz WAIFKJCXFFTQTG-KVGGFXGBSA-N 0 3 387.480 0.829 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)N1CCCCC1 ZINC000809008818 1205617342 /nfs/dbraw/zinc/61/73/42/1205617342.db2.gz HGYUYSIXVZVPKT-LZWOXQAQSA-N 0 3 390.488 0.021 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N[C@H]1CCOc2ccccc21 ZINC001131525843 1205617370 /nfs/dbraw/zinc/61/73/70/1205617370.db2.gz NEVRFEHTJPHDCH-ZMSPIWPASA-N 0 3 385.464 0.756 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCCS(C)(=O)=O)CC2)O1 ZINC001131567649 1205618496 /nfs/dbraw/zinc/61/84/96/1205618496.db2.gz MCOZXNKSEAPLHZ-DZUCGIPZSA-N 0 3 388.530 0.584 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000809240104 1205620194 /nfs/dbraw/zinc/62/01/94/1205620194.db2.gz SKHSPJXIVQSWDF-ROUUACIJSA-N 0 3 388.512 0.650 20 0 GCADHN CS(=O)(=O)c1cccc(CNCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1 ZINC001131645481 1205621922 /nfs/dbraw/zinc/62/19/22/1205621922.db2.gz ZHVGOTNPJVSZKO-BHYGNILZSA-N 0 3 382.482 0.347 20 0 GCADHN CCN(C(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CCCCC1 ZINC001131647730 1205622492 /nfs/dbraw/zinc/62/24/92/1205622492.db2.gz CSQGQGRMDLEXCM-VDZJLULYSA-N 0 3 381.517 0.925 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000809798290 1205629512 /nfs/dbraw/zinc/62/95/12/1205629512.db2.gz VQMGNYZLKMBOQL-LBPRGKRZSA-N 0 3 392.447 0.863 20 0 GCADHN CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000747580994 1205631709 /nfs/dbraw/zinc/63/17/09/1205631709.db2.gz LHTANDANRGPUCE-IAGOWNOFSA-N 0 3 398.529 0.108 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810067831 1205633679 /nfs/dbraw/zinc/63/36/79/1205633679.db2.gz YECLZOOFMVIHAS-OCCSQVGLSA-N 0 3 392.422 0.456 20 0 GCADHN COC(=O)c1c(F)ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1F ZINC000810366372 1205635986 /nfs/dbraw/zinc/63/59/86/1205635986.db2.gz JSBXEXARXAFVLN-QWRGUYRKSA-N 0 3 397.378 0.669 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000811744229 1205655085 /nfs/dbraw/zinc/65/50/85/1205655085.db2.gz ZRAAWBFZECWFOL-HKUYNNGSSA-N 0 3 392.544 0.990 20 0 GCADHN COC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(CC3CCOCC3)CC2)C1=O ZINC000811746343 1205655125 /nfs/dbraw/zinc/65/51/25/1205655125.db2.gz IFFLZFPVPXTCAK-IBGZPJMESA-N 0 3 396.488 0.252 20 0 GCADHN COC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(C3CCOCC3)C[C@@H]2C)C1=O ZINC000811769750 1205655983 /nfs/dbraw/zinc/65/59/83/1205655983.db2.gz FTQPUQBEPWIFBA-LIRRHRJNSA-N 0 3 396.488 0.393 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1COc2ccccc2[C@@H]1O ZINC000812022155 1205660362 /nfs/dbraw/zinc/66/03/62/1205660362.db2.gz IQZYKLXMKNJVFK-BQFCYCMXSA-N 0 3 390.484 0.723 20 0 GCADHN COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000812063501 1205661123 /nfs/dbraw/zinc/66/11/23/1205661123.db2.gz SIVUOYZBVBXRBH-QGZVFWFLSA-N 0 3 399.499 0.729 20 0 GCADHN COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000812119454 1205661269 /nfs/dbraw/zinc/66/12/69/1205661269.db2.gz YGEGSBAFQOFXDO-CVEARBPZSA-N 0 3 392.504 0.171 20 0 GCADHN COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000812132193 1205661610 /nfs/dbraw/zinc/66/16/10/1205661610.db2.gz XKDWKVXFPQAKBT-QGZVFWFLSA-N 0 3 399.499 0.729 20 0 GCADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC(C(=O)N(C)OC)CC1 ZINC000812869664 1205670025 /nfs/dbraw/zinc/67/00/25/1205670025.db2.gz IWXKTEXGXSLTBK-RVDMUPIBSA-N 0 3 385.486 0.698 20 0 GCADHN CCCc1nnc(SCC(=O)NC[C@H](C)CN2CCN(CC)CC2)n1N ZINC000813452030 1205676021 /nfs/dbraw/zinc/67/60/21/1205676021.db2.gz UXMLADPIBRBMCH-AWEZNQCLSA-N 0 3 383.566 0.426 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCCc1c(F)cccc1F ZINC001134117565 1205687689 /nfs/dbraw/zinc/68/76/89/1205687689.db2.gz SDRLMXVEFDRBDG-MRRJBJDNSA-N 0 3 381.423 0.897 20 0 GCADHN Cc1cccc(OCCNC(=O)CNCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001134117795 1205687800 /nfs/dbraw/zinc/68/78/00/1205687800.db2.gz XHTANDIKEBNZLJ-KURKYZTESA-N 0 3 375.469 0.763 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CN[C@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000815290962 1205702359 /nfs/dbraw/zinc/70/23/59/1205702359.db2.gz ZBVHROSQPMBFQS-IEBWSBKVSA-N 0 3 383.489 0.633 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(OC(=O)NC)c2)CC1 ZINC000815341859 1205703132 /nfs/dbraw/zinc/70/31/32/1205703132.db2.gz CZSJDBSMOPZJIS-UHFFFAOYSA-N 0 3 377.445 0.097 20 0 GCADHN CNC(=O)Oc1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000815450517 1205704834 /nfs/dbraw/zinc/70/48/34/1205704834.db2.gz FCBXFTBOUSJTRP-INIZCTEOSA-N 0 3 392.456 0.913 20 0 GCADHN CNC(=O)Oc1cccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000815600504 1205707212 /nfs/dbraw/zinc/70/72/12/1205707212.db2.gz VTHVQJSOVKPNQM-UHFFFAOYSA-N 0 3 391.472 0.439 20 0 GCADHN O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NC[C@@]1(CO)COCCN1 ZINC001171662440 1205708650 /nfs/dbraw/zinc/70/86/50/1205708650.db2.gz YTZXEYBOHOSWEQ-LJQANCHMSA-N 0 3 396.919 0.319 20 0 GCADHN CN1CCN(C[C@@H]2Cn3ccnc3CN([C@@H]3CCN(C4CC4)C(=O)C3)C2)CC1 ZINC001172010934 1205711229 /nfs/dbraw/zinc/71/12/29/1205711229.db2.gz ARVLLGPKMICIIA-IEBWSBKVSA-N 0 3 386.544 0.716 20 0 GCADHN CN1CCN(C[C@H]2Cn3ccnc3CN([C@@H]3CCN(C4CC4)C(=O)C3)C2)CC1 ZINC001172010936 1205711517 /nfs/dbraw/zinc/71/15/17/1205711517.db2.gz ARVLLGPKMICIIA-PKOBYXMFSA-N 0 3 386.544 0.716 20 0 GCADHN CCN1CC[C@@H](N2CCc3ncc(CNC(=O)c4cnn(C)c4)n3CC2)CC1=O ZINC001172044052 1205712483 /nfs/dbraw/zinc/71/24/83/1205712483.db2.gz RPFLKEAFJOVWIU-MRXNPFEDSA-N 0 3 399.499 0.416 20 0 GCADHN C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C1C[C@@H]2COC[C@H](C1)N2C ZINC001172139019 1205712857 /nfs/dbraw/zinc/71/28/57/1205712857.db2.gz IMMFIMHBUBHKRM-MVCQKVDPSA-N 0 3 388.560 0.869 20 0 GCADHN COCCNC(=O)[C@H]1Cn2nccc2CN([C@H]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001172173053 1205713795 /nfs/dbraw/zinc/71/37/95/1205713795.db2.gz RDIAFCNTSDYZSH-OWCLPIDISA-N 0 3 375.473 0.231 20 0 GCADHN COC(=O)[C@H]1C[C@H](N[C@H]2CCC(=O)NC2=O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172265629 1205714577 /nfs/dbraw/zinc/71/45/77/1205714577.db2.gz QPJBOLJKRPMCKX-JONQDZQNSA-N 0 3 388.420 0.692 20 0 GCADHN COC(=O)[C@H]1C[C@H](NC[C@@H]2CNC(=O)O2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172269947 1205714848 /nfs/dbraw/zinc/71/48/48/1205714848.db2.gz ZYUPJASPHQNGIV-XUWVNRHRSA-N 0 3 376.409 0.996 20 0 GCADHN COC(=O)[C@H]1C[C@H](N(C)S(=O)(=O)CCN)C[C@H]1C(=O)OCc1ccccc1 ZINC001172267389 1205714863 /nfs/dbraw/zinc/71/48/63/1205714863.db2.gz FDDAWARJTCAXDF-HRCADAONSA-N 0 3 398.481 0.518 20 0 GCADHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN([C@H]1COC(C)(C)C1)C2 ZINC001172283569 1205715470 /nfs/dbraw/zinc/71/54/70/1205715470.db2.gz DXYLZQSURWWHOJ-DNVCBOLYSA-N 0 3 375.473 0.627 20 0 GCADHN COC(=O)[C@H]1C[C@H](NS(=O)(=O)CCN)C[C@H]1C(=O)OCc1ccccc1 ZINC001172264200 1205715681 /nfs/dbraw/zinc/71/56/81/1205715681.db2.gz CCRYURHEEMGUMC-SOUVJXGZSA-N 0 3 384.454 0.176 20 0 GCADHN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N[C@H]2CC[C@@H](c3ccccc3)C2)c(=O)[nH]1 ZINC001172555430 1205716091 /nfs/dbraw/zinc/71/60/91/1205716091.db2.gz ICHOHACUTZXARD-CRMPAWTRSA-N 0 3 387.436 0.494 20 0 GCADHN CC(C)COCC[C@H](C)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001172464750 1205716262 /nfs/dbraw/zinc/71/62/62/1205716262.db2.gz FCESZVGOTJIPIW-SZMVWBNQSA-N 0 3 379.501 0.601 20 0 GCADHN COC(=O)N1CCC(N(Cc2ncn3c2CNCCC3)S(C)(=O)=O)CC1 ZINC001172739021 1205716983 /nfs/dbraw/zinc/71/69/83/1205716983.db2.gz IAIREFGHFDTXNP-UHFFFAOYSA-N 0 3 385.490 0.369 20 0 GCADHN CC(C)OC(=O)CC[C@H](C)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172751569 1205717377 /nfs/dbraw/zinc/71/73/77/1205717377.db2.gz XBYPYKXEANGCED-BBRMVZONSA-N 0 3 379.457 0.615 20 0 GCADHN CC(C)OC(=O)CC[C@@H](C)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O ZINC001172752912 1205717679 /nfs/dbraw/zinc/71/76/79/1205717679.db2.gz NQBNITFXEIHTFW-CJNGLKHVSA-N 0 3 379.457 0.615 20 0 GCADHN COc1ccc(CN2CC[C@@H](N(C)S(=O)(=O)CCN)CC2=O)c(OC)c1 ZINC001173023424 1205718367 /nfs/dbraw/zinc/71/83/67/1205718367.db2.gz DGGURHXAGPLSTQ-CQSZACIVSA-N 0 3 385.486 0.415 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N[C@H]2CCS(=O)(=O)C2)CCN1C(=O)c1ccccc1 ZINC001173483788 1205720896 /nfs/dbraw/zinc/72/08/96/1205720896.db2.gz ITVHPEMDOHIUFQ-JYJNAYRXSA-N 0 3 380.466 0.610 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C[C@@H]1C(=O)OC ZINC001173561087 1205723390 /nfs/dbraw/zinc/72/33/90/1205723390.db2.gz DLQCBMLTVSBTRV-PDWCTOEPSA-N 0 3 386.445 0.297 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C[C@@H]1C(=O)OC ZINC001173567435 1205723748 /nfs/dbraw/zinc/72/37/48/1205723748.db2.gz DLQCBMLTVSBTRV-ZUWCUPBKSA-N 0 3 386.445 0.297 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](n2nc(C(=O)NC(C)C)c3c2CCNC3)C[C@@H]1C(=O)OC ZINC001173576494 1205724579 /nfs/dbraw/zinc/72/45/79/1205724579.db2.gz JAAITAXIJFACNM-XYYAHUGASA-N 0 3 392.456 0.580 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N2CCC(C(=O)N3CCOCC3)CC2)C[C@@H]1C(=O)OC ZINC001173579836 1205724789 /nfs/dbraw/zinc/72/47/89/1205724789.db2.gz PHIYMVXYRHADLL-PHZGNYQRSA-N 0 3 382.457 0.298 20 0 GCADHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173752251 1205727231 /nfs/dbraw/zinc/72/72/31/1205727231.db2.gz KTZCIBUWGDSFDU-XLKGFZLASA-N 0 3 378.477 0.493 20 0 GCADHN COc1cc(OC)nc(CN2CCN([C@@H]3CCC[C@@H](n4ncnn4)C3)CC2)n1 ZINC001173759043 1205727851 /nfs/dbraw/zinc/72/78/51/1205727851.db2.gz IGRCMCXJMUTZIW-HUUCEWRRSA-N 0 3 388.476 0.782 20 0 GCADHN CN1CCN(C[C@H]2Cn3ccnc3CN([C@@H]3CCC[C@@H](n4ncnn4)C3)C2)CC1 ZINC001173760106 1205727884 /nfs/dbraw/zinc/72/78/84/1205727884.db2.gz IBYVOYJGBCCNNF-IPMKNSEASA-N 0 3 399.547 0.733 20 0 GCADHN CNC(=O)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001110181004 1205735086 /nfs/dbraw/zinc/73/50/86/1205735086.db2.gz MTDHCGPTPLXUJX-QZWWFDLISA-N 0 3 377.489 0.272 20 0 GCADHN O=C(N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001175181118 1205736034 /nfs/dbraw/zinc/73/60/34/1205736034.db2.gz RVLRWGWEZJDXAI-YRXWBPOGSA-N 0 3 381.517 0.360 20 0 GCADHN O=C(N[C@H]1CCC[C@@H]1N1CCC(O)CC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001175181116 1205736051 /nfs/dbraw/zinc/73/60/51/1205736051.db2.gz RVLRWGWEZJDXAI-XWSJACJDSA-N 0 3 381.517 0.360 20 0 GCADHN Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001175214850 1205736369 /nfs/dbraw/zinc/73/63/69/1205736369.db2.gz SONAOXCHXRNUQH-KBPBESRZSA-N 0 3 386.456 0.340 20 0 GCADHN Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)cn1 ZINC001175214850 1205736370 /nfs/dbraw/zinc/73/63/70/1205736370.db2.gz SONAOXCHXRNUQH-KBPBESRZSA-N 0 3 386.456 0.340 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccnc1)C2 ZINC001110193204 1205744564 /nfs/dbraw/zinc/74/45/64/1205744564.db2.gz UKJGOKXXOPOBPO-BDXSIMOUSA-N 0 3 380.489 0.409 20 0 GCADHN COC[C@@H](NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C)[C@H]1CCCOC1 ZINC001176201873 1205744968 /nfs/dbraw/zinc/74/49/68/1205744968.db2.gz IGZWEPNDNUAONR-XJKSGUPXSA-N 0 3 385.486 0.612 20 0 GCADHN COC[C@H](NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@H]1CCCOC1 ZINC001176200539 1205745303 /nfs/dbraw/zinc/74/53/03/1205745303.db2.gz CUJXRWCIMDMYDR-HOCLYGCPSA-N 0 3 397.497 0.254 20 0 GCADHN CC(C)Cn1c(N)c(C(=O)CN[C@@H](CCO)C2CCCC2)c(=O)n(C)c1=O ZINC001176505944 1205748714 /nfs/dbraw/zinc/74/87/14/1205748714.db2.gz XGADKYIADKERCJ-AWEZNQCLSA-N 0 3 380.489 0.499 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccnn21 ZINC001176716997 1205752926 /nfs/dbraw/zinc/75/29/26/1205752926.db2.gz NXZQJLYSTJNRST-CVEARBPZSA-N 0 3 393.488 0.964 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccnn21 ZINC001176717002 1205753057 /nfs/dbraw/zinc/75/30/57/1205753057.db2.gz NXZQJLYSTJNRST-JKSUJKDBSA-N 0 3 393.488 0.964 20 0 GCADHN Cc1nc(C)n(CC(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)n1 ZINC001176903595 1205758591 /nfs/dbraw/zinc/75/85/91/1205758591.db2.gz YBUWYHBMIFKDBN-CVEARBPZSA-N 0 3 392.504 0.952 20 0 GCADHN COCCN(C(=O)CN1CCN(c2ncccn2)CC1)C1CCN(C)CC1 ZINC001176980021 1205759139 /nfs/dbraw/zinc/75/91/39/1205759139.db2.gz SDVOFIAVPKVZMY-UHFFFAOYSA-N 0 3 376.505 0.168 20 0 GCADHN CCOC[C@@H](O)CN1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001177057649 1205760845 /nfs/dbraw/zinc/76/08/45/1205760845.db2.gz WMBHBZSALOVRBS-HOTGVXAUSA-N 0 3 385.505 0.928 20 0 GCADHN O=C(CCc1nc(-c2nc[nH]n2)no1)NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001177579695 1205772376 /nfs/dbraw/zinc/77/23/76/1205772376.db2.gz RLTFPCDORUPWJQ-KBPBESRZSA-N 0 3 389.460 0.795 20 0 GCADHN O=S1(=O)CCCN1CCNCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC001177748352 1205776055 /nfs/dbraw/zinc/77/60/55/1205776055.db2.gz AASVJMGURXWGJY-UHFFFAOYSA-N 0 3 378.454 0.973 20 0 GCADHN Cc1cc(CC(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)nn1C ZINC001177890581 1205778938 /nfs/dbraw/zinc/77/89/38/1205778938.db2.gz XKXNSHVZIDIGTD-UHFFFAOYSA-N 0 3 380.456 0.984 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)Cc1cc(OC)cnc1F)CC2 ZINC001178422882 1205787282 /nfs/dbraw/zinc/78/72/82/1205787282.db2.gz GUWSEPSDKBUQEP-UHFFFAOYSA-N 0 3 378.448 0.975 20 0 GCADHN CCn1ccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)n1 ZINC001178571199 1205789961 /nfs/dbraw/zinc/78/99/61/1205789961.db2.gz KEWRGYNDMLOAJF-MRXNPFEDSA-N 0 3 385.516 0.839 20 0 GCADHN CN1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC001178708865 1205792546 /nfs/dbraw/zinc/79/25/46/1205792546.db2.gz IDACVOLSZKOMMR-QXSJWSMHSA-N 0 3 399.557 0.553 20 0 GCADHN CCN1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C(C)(C)C1 ZINC001178861073 1205796384 /nfs/dbraw/zinc/79/63/84/1205796384.db2.gz RCQRDIZDEXWXNP-WFASDCNBSA-N 0 3 396.513 0.299 20 0 GCADHN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001179008688 1205799292 /nfs/dbraw/zinc/79/92/92/1205799292.db2.gz QABGJBWTAIKNRZ-RDTXWAMCSA-N 0 3 386.452 0.774 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC001179074805 1205802205 /nfs/dbraw/zinc/80/22/05/1205802205.db2.gz ZGAYPLQSWCQZLN-KBXCAEBGSA-N 0 3 385.505 0.567 20 0 GCADHN CN1C[C@H](C(=O)NCc2nnc[nH]2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156825 1205804181 /nfs/dbraw/zinc/80/41/81/1205804181.db2.gz UXNBVPILGUATET-CYBMUJFWSA-N 0 3 394.476 0.521 20 0 GCADHN CCC(C)(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H]1C ZINC001179203071 1205804633 /nfs/dbraw/zinc/80/46/33/1205804633.db2.gz XZYPUSZJKQHOMI-IQWQSGHPSA-N 0 3 381.517 0.922 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)C1=NO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001179227406 1205806942 /nfs/dbraw/zinc/80/69/42/1205806942.db2.gz GBTSGFRKMNQZTP-HZSPNIEDSA-N 0 3 382.461 0.397 20 0 GCADHN COc1cc(CNCC[C@@H]2CCCS2(=O)=O)cc(OC)c1OCC(N)=O ZINC001179463148 1205810603 /nfs/dbraw/zinc/81/06/03/1205810603.db2.gz HOKAIIHJYCRPEA-ZDUSSCGKSA-N 0 3 386.470 0.625 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCO[C@@H]21 ZINC001179549315 1205811725 /nfs/dbraw/zinc/81/17/25/1205811725.db2.gz XOPXHRJAQBOIAJ-QKPAOTATSA-N 0 3 383.489 0.800 20 0 GCADHN C[C@](O)(CC(=O)n1ccc(=NCCN2CCOCC2)c(N)c1)C(F)(F)F ZINC001179804311 1205814503 /nfs/dbraw/zinc/81/45/03/1205814503.db2.gz LQVULXBFSOIKRU-HNNXBMFYSA-N 0 3 376.379 0.647 20 0 GCADHN Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001180027046 1205816905 /nfs/dbraw/zinc/81/69/05/1205816905.db2.gz BNHQALUIFSXEAN-HRCADAONSA-N 0 3 385.472 0.346 20 0 GCADHN Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001180027046 1205816907 /nfs/dbraw/zinc/81/69/07/1205816907.db2.gz BNHQALUIFSXEAN-HRCADAONSA-N 0 3 385.472 0.346 20 0 GCADHN COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)Cc1nc(N)n[nH]1)CC2 ZINC001180246447 1205819792 /nfs/dbraw/zinc/81/97/92/1205819792.db2.gz MQULDUYKLQFKRW-INIZCTEOSA-N 0 3 399.499 0.854 20 0 GCADHN CCN(CC)CC(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001180389399 1205823502 /nfs/dbraw/zinc/82/35/02/1205823502.db2.gz WYNLXKCRPSVSKV-UHFFFAOYSA-N 0 3 375.473 0.652 20 0 GCADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H](C)N1CCCC1)C2 ZINC001180578578 1205826101 /nfs/dbraw/zinc/82/61/01/1205826101.db2.gz GQNOZLJNEMPCPY-HRAATJIYSA-N 0 3 399.495 0.732 20 0 GCADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H](C)N1CCCC1)C2 ZINC001180578579 1205826279 /nfs/dbraw/zinc/82/62/79/1205826279.db2.gz GQNOZLJNEMPCPY-IERDGZPVSA-N 0 3 399.495 0.732 20 0 GCADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)CN(C)C1CCCC1)C2 ZINC001180628524 1205828769 /nfs/dbraw/zinc/82/87/69/1205828769.db2.gz TVNBZCOITHALDQ-FQEVSTJZSA-N 0 3 381.517 0.973 20 0 GCADHN CN1CCO[C@@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)C1 ZINC001180761026 1205831593 /nfs/dbraw/zinc/83/15/93/1205831593.db2.gz SUCZQXDZEQRTCF-OWCLPIDISA-N 0 3 382.505 0.374 20 0 GCADHN O=C(CCNC(=O)C1CC1)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001180850874 1205834209 /nfs/dbraw/zinc/83/42/09/1205834209.db2.gz VDPRJAFEHRBTBW-UHFFFAOYSA-N 0 3 383.456 0.616 20 0 GCADHN COCCN1C[C@H](C(=O)N2CCc3c(CN(C)C(C)C)n[nH]c3C2)CC1=O ZINC001180894099 1205835700 /nfs/dbraw/zinc/83/57/00/1205835700.db2.gz UUBHJALMVINFIC-CQSZACIVSA-N 0 3 377.489 0.630 20 0 GCADHN COCCN1C[C@@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)CC1=O ZINC001180895246 1205835904 /nfs/dbraw/zinc/83/59/04/1205835904.db2.gz RGDLPNSJHOHKOL-INIZCTEOSA-N 0 3 394.516 0.074 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)COCCOCCNC(=O)OC(C)(C)C ZINC001181146582 1205839763 /nfs/dbraw/zinc/83/97/63/1205839763.db2.gz MXPCLOKRKOKLRA-OAHLLOKOSA-N 0 3 389.493 0.333 20 0 GCADHN C[C@@H](C(=O)N(Cc1ncn2c1CNCCC2)c1ncccn1)N1CCCC1=O ZINC001181295900 1205841219 /nfs/dbraw/zinc/84/12/19/1205841219.db2.gz RDIUWPFKJWAVPF-AWEZNQCLSA-N 0 3 383.456 0.711 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCOC[C@H]1CN(C)C ZINC001181402955 1205843750 /nfs/dbraw/zinc/84/37/50/1205843750.db2.gz WTSSCVULOHCGHR-MELADBBJSA-N 0 3 386.493 0.193 20 0 GCADHN CC(=O)N/C(=C/c1cccs1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000817550947 1205850632 /nfs/dbraw/zinc/85/06/32/1205850632.db2.gz YYDJYNLXGABRNK-HJUDDPQBSA-N 0 3 390.509 0.990 20 0 GCADHN CN1CCC(O)(C(=O)n2c(C(N)=O)c(N)sc2=Nc2ccccc2)CC1 ZINC001182027521 1205853533 /nfs/dbraw/zinc/85/35/33/1205853533.db2.gz BDFNKPDBKUVFGQ-UHFFFAOYSA-N 0 3 375.454 0.560 20 0 GCADHN CN1CCC(O)(C(=O)N2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)CC1 ZINC001182031030 1205853550 /nfs/dbraw/zinc/85/35/50/1205853550.db2.gz IUQGNAROVOMHAW-GOEBONIOSA-N 0 3 393.509 0.465 20 0 GCADHN CN1CCC(O)(C(=O)N2CC(O)([C@@H]3CCCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001182031611 1205853987 /nfs/dbraw/zinc/85/39/87/1205853987.db2.gz COUZGZJGPAYCCF-HNNXBMFYSA-N 0 3 397.516 0.806 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)CC1 ZINC001182031733 1205854080 /nfs/dbraw/zinc/85/40/80/1205854080.db2.gz OZKNYVNEZQNEAR-KRWDZBQOSA-N 0 3 395.454 0.997 20 0 GCADHN COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)C1(O)CCN(C)CC1 ZINC001182032180 1205854082 /nfs/dbraw/zinc/85/40/82/1205854082.db2.gz BEYVZNHYWOUFIL-UHFFFAOYSA-N 0 3 390.484 0.759 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(OC)nc2Cl)CC1 ZINC000774100412 1205862129 /nfs/dbraw/zinc/86/21/29/1205862129.db2.gz LXSAXOBNXRIJDT-UHFFFAOYSA-N 0 3 383.880 0.826 20 0 GCADHN Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)C2=O)cc1 ZINC000774215879 1205866208 /nfs/dbraw/zinc/86/62/08/1205866208.db2.gz NNYCNMRQXRSCMJ-BPQIPLTHSA-N 0 3 384.480 0.912 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1C[C@H]1C(N)=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001182383734 1205867055 /nfs/dbraw/zinc/86/70/55/1205867055.db2.gz ZKPVESPGVUJTSI-RRFJBIMHSA-N 0 3 382.505 0.898 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cc1ccc(F)cc1 ZINC001110307689 1205871920 /nfs/dbraw/zinc/87/19/20/1205871920.db2.gz NBDAWDYXKSAYCL-MKXGPGLRSA-N 0 3 377.460 0.929 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2 ZINC001182629048 1205877331 /nfs/dbraw/zinc/87/73/31/1205877331.db2.gz WLNGAVBPLYMBLY-AWEZNQCLSA-N 0 3 398.504 0.075 20 0 GCADHN CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N[C@@]2(C)CCCN(C)C2)c(=O)[nH]1 ZINC001182834174 1205881111 /nfs/dbraw/zinc/88/11/11/1205881111.db2.gz CLFTWPSPYBQTAD-SFHVURJKSA-N 0 3 389.460 0.727 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCOC[C@H]1CN(C)C ZINC001182868622 1205882175 /nfs/dbraw/zinc/88/21/75/1205882175.db2.gz ANDDQTHBPYULJA-GXTWGEPZSA-N 0 3 389.905 0.796 20 0 GCADHN COc1ccc(NC(=O)[C@@H]2CCNC2=O)cc1OCCCN1CCN(C)CC1 ZINC001183011531 1205884809 /nfs/dbraw/zinc/88/48/09/1205884809.db2.gz KKLBNMFNTVFXFU-MRXNPFEDSA-N 0 3 390.484 0.786 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183073544 1205886481 /nfs/dbraw/zinc/88/64/81/1205886481.db2.gz WTCSMTCXFUUIKV-GJZGRUSLSA-N 0 3 397.520 0.800 20 0 GCADHN Cn1nnnc1NC(=O)C1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183133750 1205886958 /nfs/dbraw/zinc/88/69/58/1205886958.db2.gz RVGGFBKQIHUAIH-CYBMUJFWSA-N 0 3 379.465 0.870 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)NC3(C(N)=O)CC3)CC2)C1 ZINC001183157680 1205888849 /nfs/dbraw/zinc/88/88/49/1205888849.db2.gz NEBUEVPTCKLQKT-AWEZNQCLSA-N 0 3 380.489 0.842 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)N3C[C@H](O)C[C@@H]3CO)CC2)C1 ZINC001183160283 1205889074 /nfs/dbraw/zinc/88/90/74/1205889074.db2.gz KDUXPRMJKWEOKX-GVDBMIGSSA-N 0 3 397.516 0.662 20 0 GCADHN CN1CCCN(CCNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)CC1 ZINC001183309400 1205890783 /nfs/dbraw/zinc/89/07/83/1205890783.db2.gz NQZKNHDHUROIQC-OAHLLOKOSA-N 0 3 382.505 0.566 20 0 GCADHN CC(C)[C@H](C(=O)N1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21)N(C)C ZINC001183361788 1205891356 /nfs/dbraw/zinc/89/13/56/1205891356.db2.gz AQVWUEVSIMCCPZ-ZJIFWQFVSA-N 0 3 377.489 0.495 20 0 GCADHN Cn1ccnc1[C@@](O)(CC(=O)N[C@@H]1CCCN(CCCO)C1)C(F)(F)F ZINC001183486961 1205892539 /nfs/dbraw/zinc/89/25/39/1205892539.db2.gz QXEYTKZXZKYILS-DOMZBBRYSA-N 0 3 378.395 0.523 20 0 GCADHN C[C@]1(O)C=C[C@H](O)C(C(=O)N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)=C1 ZINC001183541729 1205894373 /nfs/dbraw/zinc/89/43/73/1205894373.db2.gz VHNLBBNNTZEROU-VKRLORBYSA-N 0 3 385.464 0.491 20 0 GCADHN C[C@]1(O)C=C[C@@H](O)C(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)=C1 ZINC001183543806 1205894605 /nfs/dbraw/zinc/89/46/05/1205894605.db2.gz JLFSDYFICSJRPA-XLIONFOSSA-N 0 3 377.485 0.188 20 0 GCADHN O=C(Cn1cc(F)c(=O)[n-]c1=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001183654866 1205896933 /nfs/dbraw/zinc/89/69/33/1205896933.db2.gz KRLLTJCFFKSPTF-UHFFFAOYSA-N 0 3 382.436 0.439 20 0 GCADHN O=C(Cn1cc(F)c(=O)[n-]c1=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001183665358 1205897176 /nfs/dbraw/zinc/89/71/76/1205897176.db2.gz WTVVUTQTIGXDLY-UHFFFAOYSA-N 0 3 375.404 0.511 20 0 GCADHN CC[C@@H]1CCN(CC(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1=O ZINC001183674064 1205897555 /nfs/dbraw/zinc/89/75/55/1205897555.db2.gz VJDZTTWQAXQUQJ-MRXNPFEDSA-N 0 3 378.517 0.838 20 0 GCADHN COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)Cn1cc(F)c(=O)[n-]c1=O)C2 ZINC001183656715 1205898050 /nfs/dbraw/zinc/89/80/50/1205898050.db2.gz JJPOYTAZORVLSC-AUUYWEPGSA-N 0 3 394.447 0.295 20 0 GCADHN COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)Cn1cc(F)c(=O)[n-]c1=O)C2 ZINC001183656715 1205898051 /nfs/dbraw/zinc/89/80/51/1205898051.db2.gz JJPOYTAZORVLSC-AUUYWEPGSA-N 0 3 394.447 0.295 20 0 GCADHN CC1(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)CCS(=O)(=O)CC1 ZINC001183663045 1205898525 /nfs/dbraw/zinc/89/85/25/1205898525.db2.gz FCOXHIJMRXWOTA-UHFFFAOYSA-N 0 3 399.557 0.794 20 0 GCADHN COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)C1(CO)COC1)CC2 ZINC001184042139 1205904310 /nfs/dbraw/zinc/90/43/10/1205904310.db2.gz CUBSEDVUIUMSHX-SFHVURJKSA-N 0 3 389.496 0.920 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000774725545 1205906500 /nfs/dbraw/zinc/90/65/00/1205906500.db2.gz FCLJIKWCXJLRNH-HZPDHXFCSA-N 0 3 391.468 0.342 20 0 GCADHN O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184405421 1205908914 /nfs/dbraw/zinc/90/89/14/1205908914.db2.gz LBHOHEDXVSEPFA-YKJOPOJSSA-N 0 3 382.888 0.771 20 0 GCADHN COCCN1CCO[C@@H]2CN(S(=O)(=O)c3cnc(Cl)nc3)CC[C@@H]2C1 ZINC001185020395 1205915646 /nfs/dbraw/zinc/91/56/46/1205915646.db2.gz JDMDZFCAVWXDGR-TZMCWYRMSA-N 0 3 390.893 0.488 20 0 GCADHN CC(C)(CNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1)N1CCCCC1 ZINC000774891685 1205922917 /nfs/dbraw/zinc/92/29/17/1205922917.db2.gz XDTOAZZKSWQVIN-HNNXBMFYSA-N 0 3 383.489 0.405 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@]2(CCCN(S(=O)(=O)N(C)C)C2)C1)N1CCCC1 ZINC001273505003 1205924576 /nfs/dbraw/zinc/92/45/76/1205924576.db2.gz QTTHLPHBIIEXOV-FUHWJXTLSA-N 0 3 386.562 0.982 20 0 GCADHN C[C@H](C(=O)N1CCC2(CCCN(S(=O)(=O)N(C)C)C2)CC1)N1CCCC1 ZINC001273505285 1205924699 /nfs/dbraw/zinc/92/46/99/1205924699.db2.gz ZGFWQXNAGYXTFZ-MRXNPFEDSA-N 0 3 386.562 0.982 20 0 GCADHN CCOC(=O)N1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000774925667 1205928682 /nfs/dbraw/zinc/92/86/82/1205928682.db2.gz VJOBJQRLDWASEB-QGZVFWFLSA-N 0 3 390.484 0.576 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N1CCC(C2OCCO2)CC1)Cc1ccccc1 ZINC000774924895 1205928713 /nfs/dbraw/zinc/92/87/13/1205928713.db2.gz RMPIBURFYLZCEL-SFHVURJKSA-N 0 3 389.496 0.887 20 0 GCADHN CN(C)C1(C)CN(C(=O)CNC(=O)OCC2=Cc3ccccc3S2(=O)=O)C1 ZINC001185809613 1205929436 /nfs/dbraw/zinc/92/94/36/1205929436.db2.gz GJWCTEGBHPNQOB-UHFFFAOYSA-N 0 3 393.465 0.704 20 0 GCADHN CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NC1(CO)CCN(C)CC1 ZINC001185849146 1205930733 /nfs/dbraw/zinc/93/07/33/1205930733.db2.gz YTICNPKXXDLFBX-CABCVRRESA-N 0 3 399.488 0.358 20 0 GCADHN CCOC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001185879536 1205932109 /nfs/dbraw/zinc/93/21/09/1205932109.db2.gz GYOGSAMGLOGZPV-HOTGVXAUSA-N 0 3 376.457 0.757 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1F ZINC001186277090 1205937301 /nfs/dbraw/zinc/93/73/01/1205937301.db2.gz BBDWMWQZUCPPPM-ZDUSSCGKSA-N 0 3 385.461 0.894 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000775001856 1205938004 /nfs/dbraw/zinc/93/80/04/1205938004.db2.gz FYDCKFPHKJHBSK-CABCVRRESA-N 0 3 382.505 0.960 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]3CCO[C@@H]32)CC1 ZINC001186500052 1205940549 /nfs/dbraw/zinc/94/05/49/1205940549.db2.gz AYYPXRVDNBCLMU-XHSDSOJGSA-N 0 3 397.516 0.831 20 0 GCADHN CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1CCc2c(CN(C)C(C)C)n[nH]c2C1 ZINC001186717625 1205946927 /nfs/dbraw/zinc/94/69/27/1205946927.db2.gz RXPAYNRGSODTED-CHWSQXEVSA-N 0 3 393.488 0.591 20 0 GCADHN C[C@@H](C(=O)N(Cc1ncn2c1CNCCC2)c1ncccn1)N1CCOCC1 ZINC001187165009 1205957309 /nfs/dbraw/zinc/95/73/09/1205957309.db2.gz NASZDMYMCWVOEL-HNNXBMFYSA-N 0 3 385.472 0.420 20 0 GCADHN Cc1oncc1S(=O)(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001187352726 1205961967 /nfs/dbraw/zinc/96/19/67/1205961967.db2.gz YTTHGKKGUMDWCF-UHFFFAOYSA-N 0 3 393.469 0.730 20 0 GCADHN CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cc1ccc(F)cc1 ZINC001110396192 1205968024 /nfs/dbraw/zinc/96/80/24/1205968024.db2.gz MCBUSIPCVOSDAN-XDNAFOTISA-N 0 3 377.460 0.977 20 0 GCADHN COCCn1nccc1C(=O)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001187859907 1205969831 /nfs/dbraw/zinc/96/98/31/1205969831.db2.gz QMZXDRLZNGYYCI-UHFFFAOYSA-N 0 3 396.455 0.856 20 0 GCADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)[C@@H]2C1 ZINC001187971151 1205972615 /nfs/dbraw/zinc/97/26/15/1205972615.db2.gz CICLZJRLLYDQAF-VNTMZGSJSA-N 0 3 386.496 0.871 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CC[C@H]3CN(CCOCC4CC4)C[C@H]32)O1 ZINC001188618829 1205987485 /nfs/dbraw/zinc/98/74/85/1205987485.db2.gz VFVYOIWYYZMEAQ-MLHJIOFPSA-N 0 3 379.501 0.759 20 0 GCADHN CN(C)S(=O)(=O)CCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1 ZINC001188610930 1205987604 /nfs/dbraw/zinc/98/76/04/1205987604.db2.gz UFYGQDCSQBBIRI-VZRUXMCCSA-N 0 3 397.541 0.224 20 0 GCADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)[C@@H]2C1 ZINC001188617118 1205987813 /nfs/dbraw/zinc/98/78/13/1205987813.db2.gz GIMRCIZHKMWLOI-MANSERQUSA-N 0 3 379.501 0.487 20 0 GCADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)[C@@H]2C1 ZINC001188630397 1205988949 /nfs/dbraw/zinc/98/89/49/1205988949.db2.gz NGTAYWMUZRLODQ-DODZYUBVSA-N 0 3 389.500 0.209 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1C)C2 ZINC001110406776 1206001932 /nfs/dbraw/zinc/00/19/32/1206001932.db2.gz DFUNWBFGSZBPFI-FPCVCCKLSA-N 0 3 377.489 0.903 20 0 GCADHN Cn1nc(C(F)(F)F)cc1C(=O)n1ccc(=NCCN2CCOCC2)c(N)c1 ZINC001189594757 1206010939 /nfs/dbraw/zinc/01/09/39/1206010939.db2.gz YWWJMOFRECJESR-UHFFFAOYSA-N 0 3 398.389 0.744 20 0 GCADHN NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccccc1F ZINC001110418398 1206015681 /nfs/dbraw/zinc/01/56/81/1206015681.db2.gz RUSQPHVXVICUFI-WTTBNOFXSA-N 0 3 379.432 0.300 20 0 GCADHN CCOC(=O)CNC(=O)N[C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001189919912 1206021000 /nfs/dbraw/zinc/02/10/00/1206021000.db2.gz BMHDNENQMAZNHA-MRXNPFEDSA-N 0 3 390.484 0.664 20 0 GCADHN CCc1n[nH]cc1C(=O)N1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001190135370 1206026038 /nfs/dbraw/zinc/02/60/38/1206026038.db2.gz CIAMICSEPPCZSG-UHFFFAOYSA-N 0 3 376.505 0.283 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CC(NS(C)(=O)=O)C3)cc2)CC1 ZINC001190840445 1206047935 /nfs/dbraw/zinc/04/79/35/1206047935.db2.gz NROBUOOMBDLGOC-UHFFFAOYSA-N 0 3 380.514 0.198 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CCN(C)C[C@H]3C(=O)OC)cc2)CC1 ZINC001190849161 1206048244 /nfs/dbraw/zinc/04/82/44/1206048244.db2.gz CQZSLAVRRKIWHB-IBGZPJMESA-N 0 3 388.512 0.753 20 0 GCADHN CSC1(CNS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCN(C)CC1 ZINC001190931602 1206050371 /nfs/dbraw/zinc/05/03/71/1206050371.db2.gz ZWZMNDANRYZPII-ZDUSSCGKSA-N 0 3 384.589 0.558 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435236 1206055164 /nfs/dbraw/zinc/05/51/64/1206055164.db2.gz VAFGHKJZVUJWSQ-HZPDHXFCSA-N 0 3 399.536 0.557 20 0 GCADHN COCCN1CCN(C)C2(CCN(c3cc(N(C)C)nc(C)n3)CC2)C1=O ZINC001164633860 719269565 /nfs/dbraw/zinc/26/95/65/719269565.db2.gz IZVGGFWPKUKJMG-UHFFFAOYSA-N 0 3 376.505 0.610 20 0 GCADHN COC(=O)c1cc2c(ncnc2N2CCn3c(CN4CCOCC4)nnc3C2)[nH]1 ZINC001164676900 719571522 /nfs/dbraw/zinc/57/15/22/719571522.db2.gz QMHKOYICZZWBTR-UHFFFAOYSA-N 0 3 398.427 0.140 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1ncnc(C(=O)OC)c1OC)CC2 ZINC001164691348 719756873 /nfs/dbraw/zinc/75/68/73/719756873.db2.gz NNZBRSWIXKIKGY-UHFFFAOYSA-N 0 3 377.445 0.453 20 0 GCADHN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ncc2c(n1)CCNC2 ZINC001164703916 719844455 /nfs/dbraw/zinc/84/44/55/719844455.db2.gz REQUWYYBSCIQHM-DNVCBOLYSA-N 0 3 375.473 0.355 20 0 GCADHN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc2c(nn1)CCNC2 ZINC001164697789 719861309 /nfs/dbraw/zinc/86/13/09/719861309.db2.gz AQHFNMCWBPECGR-HNAYVOBHSA-N 0 3 375.473 0.355 20 0 GCADHN CN(C)Cc1ccnc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)c1 ZINC001164707995 719931002 /nfs/dbraw/zinc/93/10/02/719931002.db2.gz ACUZKMWRQYLQRP-UHFFFAOYSA-N 0 3 397.527 0.827 20 0 GCADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(CN(C)C)ccn3)C2)C1 ZINC001164722321 720299351 /nfs/dbraw/zinc/29/93/51/720299351.db2.gz PUTGENAWOLEHFR-HXUWFJFHSA-N 0 3 375.517 0.808 20 0 GCADHN c1ncc(O[C@H]2C[C@H]3CN(c4cc(N5CCOCC5)ncn4)CCN3C2)cn1 ZINC001164740306 720626509 /nfs/dbraw/zinc/62/65/09/720626509.db2.gz IMNPFGPTAGXJLU-HOTGVXAUSA-N 0 3 383.456 0.445 20 0 GCADHN COC(=O)c1c[nH]c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164742610 720719301 /nfs/dbraw/zinc/71/93/01/720719301.db2.gz WACUZZSLRZWBLY-QWHCGFSZSA-N 0 3 395.423 0.876 20 0 GCADHN c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164744171 720726493 /nfs/dbraw/zinc/72/64/93/720726493.db2.gz RIWQEJRLBPBHJQ-JKSUJKDBSA-N 0 3 383.456 0.445 20 0 GCADHN c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)n1 ZINC001164744165 720726650 /nfs/dbraw/zinc/72/66/50/720726650.db2.gz RIWQEJRLBPBHJQ-CVEARBPZSA-N 0 3 383.456 0.445 20 0 GCADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164739417 720757723 /nfs/dbraw/zinc/75/77/23/720757723.db2.gz IOBQVAAMOFLKCJ-KBPBESRZSA-N 0 3 390.469 0.122 20 0 GCADHN CN1CCN(c2nccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164746654 720789987 /nfs/dbraw/zinc/78/99/87/720789987.db2.gz MGAPQWVKNYBJLM-IRXDYDNUSA-N 0 3 396.499 0.360 20 0 GCADHN NS(=O)(=O)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164878546 721164580 /nfs/dbraw/zinc/16/45/80/721164580.db2.gz QMBYKBZUYCQXTK-HZPDHXFCSA-N 0 3 389.481 0.604 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571259007 945372763 /nfs/dbraw/zinc/37/27/63/945372763.db2.gz GIJSIAUSIMBSEI-GJZGRUSLSA-N 0 3 385.428 0.446 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571259007 945372772 /nfs/dbraw/zinc/37/27/72/945372772.db2.gz GIJSIAUSIMBSEI-GJZGRUSLSA-N 0 3 385.428 0.446 20 0 GCADHN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1COC(=O)N1 ZINC001571260210 945409218 /nfs/dbraw/zinc/40/92/18/945409218.db2.gz YAWGYGMAFBEXLU-KFWWJZLASA-N 0 3 385.428 0.492 20 0 GCADHN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1COC(=O)N1 ZINC001571260210 945409225 /nfs/dbraw/zinc/40/92/25/945409225.db2.gz YAWGYGMAFBEXLU-KFWWJZLASA-N 0 3 385.428 0.492 20 0 GCADHN O=C(c1nc[nH]n1)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571262969 945448134 /nfs/dbraw/zinc/44/81/34/945448134.db2.gz DMSPGFVDLMSTRB-MRXNPFEDSA-N 0 3 385.457 0.785 20 0 GCADHN O=C(c1nc[nH]n1)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571262969 945448137 /nfs/dbraw/zinc/44/81/37/945448137.db2.gz DMSPGFVDLMSTRB-MRXNPFEDSA-N 0 3 385.457 0.785 20 0 GCADHN C[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571264385 945482000 /nfs/dbraw/zinc/48/20/00/945482000.db2.gz NEBRLRMHOURALF-YOEHRIQHSA-N 0 3 385.472 0.135 20 0 GCADHN C[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571264385 945482003 /nfs/dbraw/zinc/48/20/03/945482003.db2.gz NEBRLRMHOURALF-YOEHRIQHSA-N 0 3 385.472 0.135 20 0 GCADHN CN(C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571265533 945513277 /nfs/dbraw/zinc/51/32/77/945513277.db2.gz HWLFNSBCISLBOY-CQSZACIVSA-N 0 3 385.476 0.427 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265905 945523517 /nfs/dbraw/zinc/52/35/17/945523517.db2.gz KQVNLVWKTRAQRO-ZIAGYGMSSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265905 945523525 /nfs/dbraw/zinc/52/35/25/945523525.db2.gz KQVNLVWKTRAQRO-ZIAGYGMSSA-N 0 3 385.476 0.649 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265957 945525826 /nfs/dbraw/zinc/52/58/26/945525826.db2.gz LRZCMPCZQPSOOY-CJNGLKHVSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265957 945525830 /nfs/dbraw/zinc/52/58/30/945525830.db2.gz LRZCMPCZQPSOOY-CJNGLKHVSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265957 945525835 /nfs/dbraw/zinc/52/58/35/945525835.db2.gz LRZCMPCZQPSOOY-CJNGLKHVSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265957 945525838 /nfs/dbraw/zinc/52/58/38/945525838.db2.gz LRZCMPCZQPSOOY-CJNGLKHVSA-N 0 3 385.472 0.940 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571266265 945537241 /nfs/dbraw/zinc/53/72/41/945537241.db2.gz YOTFODKAYYQSSO-ZIAGYGMSSA-N 0 3 385.476 0.792 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571266265 945537244 /nfs/dbraw/zinc/53/72/44/945537244.db2.gz YOTFODKAYYQSSO-ZIAGYGMSSA-N 0 3 385.476 0.792 20 0 GCADHN CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266599 945546638 /nfs/dbraw/zinc/54/66/38/945546638.db2.gz VETARTOKAKFEPU-HIFRSBDPSA-N 0 3 385.476 0.790 20 0 GCADHN CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266599 945546644 /nfs/dbraw/zinc/54/66/44/945546644.db2.gz VETARTOKAKFEPU-HIFRSBDPSA-N 0 3 385.476 0.790 20 0 GCADHN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571266596 945547902 /nfs/dbraw/zinc/54/79/02/945547902.db2.gz UZAQCPZLAINFEY-HNNXBMFYSA-N 0 3 385.476 0.570 20 0 GCADHN CCC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571266596 945547904 /nfs/dbraw/zinc/54/79/04/945547904.db2.gz UZAQCPZLAINFEY-HNNXBMFYSA-N 0 3 385.476 0.570 20 0 GCADHN C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820752522 945550841 /nfs/dbraw/zinc/55/08/41/945550841.db2.gz NXCCQARRCPOJQA-XJKSGUPXSA-N 0 3 397.487 0.576 20 0 GCADHN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820752522 945550849 /nfs/dbraw/zinc/55/08/49/945550849.db2.gz NXCCQARRCPOJQA-XJKSGUPXSA-N 0 3 397.487 0.576 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571266729 945551618 /nfs/dbraw/zinc/55/16/18/945551618.db2.gz YBRXZFKDCMKVDW-KGLIPLIRSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571266729 945551623 /nfs/dbraw/zinc/55/16/23/945551623.db2.gz YBRXZFKDCMKVDW-KGLIPLIRSA-N 0 3 385.476 0.649 20 0 GCADHN CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001571266754 945552401 /nfs/dbraw/zinc/55/24/01/945552401.db2.gz YPHNXWARCRZJNT-AWEZNQCLSA-N 0 3 385.476 0.568 20 0 GCADHN CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001571266754 945552411 /nfs/dbraw/zinc/55/24/11/945552411.db2.gz YPHNXWARCRZJNT-AWEZNQCLSA-N 0 3 385.476 0.568 20 0 GCADHN Cc1nonc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571268832 945606013 /nfs/dbraw/zinc/60/60/13/945606013.db2.gz XSJHKRFODNXCAK-LBPRGKRZSA-N 0 3 386.391 0.949 20 0 GCADHN Cc1nonc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571268832 945606018 /nfs/dbraw/zinc/60/60/18/945606018.db2.gz XSJHKRFODNXCAK-LBPRGKRZSA-N 0 3 386.391 0.949 20 0 GCADHN CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571269172 945614321 /nfs/dbraw/zinc/61/43/21/945614321.db2.gz QZPNPCZLRBESME-KZZUOICLSA-N 0 3 386.431 0.977 20 0 GCADHN CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571269172 945614329 /nfs/dbraw/zinc/61/43/29/945614329.db2.gz QZPNPCZLRBESME-KZZUOICLSA-N 0 3 386.431 0.977 20 0 GCADHN C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001571272182 945655449 /nfs/dbraw/zinc/65/54/49/945655449.db2.gz AHMBJACXNHTDES-CQSZACIVSA-N 0 3 386.460 0.257 20 0 GCADHN C[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001571272182 945655455 /nfs/dbraw/zinc/65/54/55/945655455.db2.gz AHMBJACXNHTDES-CQSZACIVSA-N 0 3 386.460 0.257 20 0 GCADHN O=C(CNc1ccc(-c2nn[n-]n2)cn1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001571272218 945658510 /nfs/dbraw/zinc/65/85/10/945658510.db2.gz BEVIIXZEXNFGFO-OAHLLOKOSA-N 0 3 386.460 0.433 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571272409 945661172 /nfs/dbraw/zinc/66/11/72/945661172.db2.gz CZVPGPBGXCYPQU-TZMCWYRMSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001571272409 945661178 /nfs/dbraw/zinc/66/11/78/945661178.db2.gz CZVPGPBGXCYPQU-TZMCWYRMSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571272409 945661187 /nfs/dbraw/zinc/66/11/87/945661187.db2.gz CZVPGPBGXCYPQU-TZMCWYRMSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001571272409 945661193 /nfs/dbraw/zinc/66/11/93/945661193.db2.gz CZVPGPBGXCYPQU-TZMCWYRMSA-N 0 3 386.460 0.210 20 0 GCADHN C[NH+]1CCC(C(=O)NC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CC1 ZINC001571272621 945667866 /nfs/dbraw/zinc/66/78/66/945667866.db2.gz GGKHLUJUTZWSQH-UHFFFAOYSA-N 0 3 386.460 0.257 20 0 GCADHN C[NH+]1CCC(C(=O)NC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CC1 ZINC001571272621 945667873 /nfs/dbraw/zinc/66/78/73/945667873.db2.gz GGKHLUJUTZWSQH-UHFFFAOYSA-N 0 3 386.460 0.257 20 0 GCADHN O=C(N[C@H]1CCC[N@H+](C[C@@H]2CCNC(=O)CC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272860 945674156 /nfs/dbraw/zinc/67/41/56/945674156.db2.gz JOMFMSABVCANAI-JSGCOSHPSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@H]1CCC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272860 945674161 /nfs/dbraw/zinc/67/41/61/945674161.db2.gz JOMFMSABVCANAI-JSGCOSHPSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@H]1CCC[N@H+](C[C@@H]2CCNC(=O)CC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272860 945674164 /nfs/dbraw/zinc/67/41/64/945674164.db2.gz JOMFMSABVCANAI-JSGCOSHPSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@H]1CCC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272860 945674167 /nfs/dbraw/zinc/67/41/67/945674167.db2.gz JOMFMSABVCANAI-JSGCOSHPSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+]1C[C@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272980 945675386 /nfs/dbraw/zinc/67/53/86/945675386.db2.gz MCPBCHHEZZVPDS-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+]1C[C@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272980 945675390 /nfs/dbraw/zinc/67/53/90/945675390.db2.gz MCPBCHHEZZVPDS-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+]1C[C@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272980 945675394 /nfs/dbraw/zinc/67/53/94/945675394.db2.gz MCPBCHHEZZVPDS-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+]1C[C@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272980 945675396 /nfs/dbraw/zinc/67/53/96/945675396.db2.gz MCPBCHHEZZVPDS-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821350986 945677061 /nfs/dbraw/zinc/67/70/61/945677061.db2.gz IICATHCOHYZEPD-GFCCVEGCSA-N 0 3 393.423 0.417 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821350986 945677068 /nfs/dbraw/zinc/67/70/68/945677068.db2.gz IICATHCOHYZEPD-GFCCVEGCSA-N 0 3 393.423 0.417 20 0 GCADHN CN1CCC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571273034 945677666 /nfs/dbraw/zinc/67/76/66/945677666.db2.gz NPYVJBBIZRLJIE-IUODEOHRSA-N 0 3 386.460 0.210 20 0 GCADHN CN1CCC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571273034 945677672 /nfs/dbraw/zinc/67/76/72/945677672.db2.gz NPYVJBBIZRLJIE-IUODEOHRSA-N 0 3 386.460 0.210 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+]1C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273141 945679541 /nfs/dbraw/zinc/67/95/41/945679541.db2.gz QFDUYMFIBVBUTN-QWHCGFSZSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+]1C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273141 945679548 /nfs/dbraw/zinc/67/95/48/945679548.db2.gz QFDUYMFIBVBUTN-QWHCGFSZSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+]1C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273141 945679553 /nfs/dbraw/zinc/67/95/53/945679553.db2.gz QFDUYMFIBVBUTN-QWHCGFSZSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+]1C[C@@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273141 945679560 /nfs/dbraw/zinc/67/95/60/945679560.db2.gz QFDUYMFIBVBUTN-QWHCGFSZSA-N 0 3 386.460 0.305 20 0 GCADHN CN1CC[C@@H]([NH2+]CC[C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001571273130 945679801 /nfs/dbraw/zinc/67/98/01/945679801.db2.gz PWEGRKVWXWTJIR-ZIAGYGMSSA-N 0 3 386.460 0.400 20 0 GCADHN CN1CC[C@@H]([NH2+]CC[C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001571273130 945679807 /nfs/dbraw/zinc/67/98/07/945679807.db2.gz PWEGRKVWXWTJIR-ZIAGYGMSSA-N 0 3 386.460 0.400 20 0 GCADHN CN1CCC[C@H]([NH2+]C2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001571273256 945683342 /nfs/dbraw/zinc/68/33/42/945683342.db2.gz UBDAHMLCXDUHOI-RUXDESIVSA-N 0 3 386.460 0.446 20 0 GCADHN CC1(NC(=O)[C@@H]2COCCO2)CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571275827 945715976 /nfs/dbraw/zinc/71/59/76/945715976.db2.gz DAYSFIHYRPBWJN-INIZCTEOSA-N 0 3 386.456 0.753 20 0 GCADHN CC1(NC(=O)[C@@H]2COCCO2)CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571275827 945715980 /nfs/dbraw/zinc/71/59/80/945715980.db2.gz DAYSFIHYRPBWJN-INIZCTEOSA-N 0 3 386.456 0.753 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC001571275853 945716869 /nfs/dbraw/zinc/71/68/69/945716869.db2.gz DIVZFXBPCDFOMR-JSGCOSHPSA-N 0 3 386.460 0.257 20 0 GCADHN O=C(NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001571275978 945720561 /nfs/dbraw/zinc/72/05/61/945720561.db2.gz AWXIVVXWQZTBAZ-DOMZBBRYSA-N 0 3 387.419 0.223 20 0 GCADHN O=C(NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001571275978 945720571 /nfs/dbraw/zinc/72/05/71/945720571.db2.gz AWXIVVXWQZTBAZ-DOMZBBRYSA-N 0 3 387.419 0.223 20 0 GCADHN CC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571276555 945731731 /nfs/dbraw/zinc/73/17/31/945731731.db2.gz ILGZRBABAJXCEM-CQROYNQRSA-N 0 3 386.460 0.432 20 0 GCADHN CC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571276555 945731736 /nfs/dbraw/zinc/73/17/36/945731736.db2.gz ILGZRBABAJXCEM-CQROYNQRSA-N 0 3 386.460 0.432 20 0 GCADHN CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001571276642 945734261 /nfs/dbraw/zinc/73/42/61/945734261.db2.gz KASZZHHDMORMOH-IHRRRGAJSA-N 0 3 386.460 0.446 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571276675 945734803 /nfs/dbraw/zinc/73/48/03/945734803.db2.gz JABOGEHETLZSJY-TUUUFIMRSA-N 0 3 387.419 0.112 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571276675 945734816 /nfs/dbraw/zinc/73/48/16/945734816.db2.gz JABOGEHETLZSJY-TUUUFIMRSA-N 0 3 387.419 0.112 20 0 GCADHN CN1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CC1=O ZINC001571277833 945746369 /nfs/dbraw/zinc/74/63/69/945746369.db2.gz UCBWJKYGYSBPCL-OLZOCXBDSA-N 0 3 387.419 0.175 20 0 GCADHN CN1C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CC1=O ZINC001571277833 945746374 /nfs/dbraw/zinc/74/63/74/945746374.db2.gz UCBWJKYGYSBPCL-OLZOCXBDSA-N 0 3 387.419 0.175 20 0 GCADHN NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571277850 945746840 /nfs/dbraw/zinc/74/68/40/945746840.db2.gz UPRHFCQKFSSSSA-FDYHWXHSSA-N 0 3 387.419 0.254 20 0 GCADHN NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571277850 945746848 /nfs/dbraw/zinc/74/68/48/945746848.db2.gz UPRHFCQKFSSSSA-FDYHWXHSSA-N 0 3 387.419 0.254 20 0 GCADHN O=C(NC[C@H]1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1COCCO1 ZINC001571278405 945751765 /nfs/dbraw/zinc/75/17/65/945751765.db2.gz NAWBHGIJZWMIAY-SJORKVTESA-N 0 3 386.456 0.753 20 0 GCADHN CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571278446 945754237 /nfs/dbraw/zinc/75/42/37/945754237.db2.gz NGCLSKDEAZPWSX-TZMCWYRMSA-N 0 3 386.460 0.257 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573448751 945810215 /nfs/dbraw/zinc/81/02/15/945810215.db2.gz LXNAFLMGTYDITH-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573448751 945810221 /nfs/dbraw/zinc/81/02/21/945810221.db2.gz LXNAFLMGTYDITH-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN Cc1nnc(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)[nH]1 ZINC001571282493 945845442 /nfs/dbraw/zinc/84/54/42/945845442.db2.gz ZZOGPQZBGZTPLI-BXKDBHETSA-N 0 3 387.473 0.534 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC001571282803 945861266 /nfs/dbraw/zinc/86/12/66/945861266.db2.gz RLPLAIWEARGADB-CQSZACIVSA-N 0 3 387.463 0.992 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC001571282803 945861276 /nfs/dbraw/zinc/86/12/76/945861276.db2.gz RLPLAIWEARGADB-CQSZACIVSA-N 0 3 387.463 0.992 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573455237 945879473 /nfs/dbraw/zinc/87/94/73/945879473.db2.gz AEZBQBMBOBRJFI-UHFFFAOYSA-N 0 3 385.472 0.860 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573455237 945879490 /nfs/dbraw/zinc/87/94/90/945879490.db2.gz AEZBQBMBOBRJFI-UHFFFAOYSA-N 0 3 385.472 0.860 20 0 GCADHN O=C(C1=COCCO1)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571285310 945913839 /nfs/dbraw/zinc/91/38/39/945913839.db2.gz AVNPGDWHLOKHTC-AWEZNQCLSA-N 0 3 388.403 0.975 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573460661 945917153 /nfs/dbraw/zinc/91/71/53/945917153.db2.gz LLZTWUIPRNJCBW-WDEREUQCSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573464546 945966827 /nfs/dbraw/zinc/96/68/27/945966827.db2.gz LYFNHUOIYVUMCP-SNVBAGLBSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573464546 945966832 /nfs/dbraw/zinc/96/68/32/945966832.db2.gz LYFNHUOIYVUMCP-SNVBAGLBSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573464978 945971528 /nfs/dbraw/zinc/97/15/28/945971528.db2.gz SZXFVJBCIDTWRT-NSHDSACASA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573464978 945971534 /nfs/dbraw/zinc/97/15/34/945971534.db2.gz SZXFVJBCIDTWRT-NSHDSACASA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573467791 945987270 /nfs/dbraw/zinc/98/72/70/945987270.db2.gz IEFJCXMQZBMJTQ-ZSHCYNCHSA-N 0 3 383.456 0.328 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573467791 945987274 /nfs/dbraw/zinc/98/72/74/945987274.db2.gz IEFJCXMQZBMJTQ-ZSHCYNCHSA-N 0 3 383.456 0.328 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573467791 945987281 /nfs/dbraw/zinc/98/72/81/945987281.db2.gz IEFJCXMQZBMJTQ-ZSHCYNCHSA-N 0 3 383.456 0.328 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573467791 945987286 /nfs/dbraw/zinc/98/72/86/945987286.db2.gz IEFJCXMQZBMJTQ-ZSHCYNCHSA-N 0 3 383.456 0.328 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573468559 945996432 /nfs/dbraw/zinc/99/64/32/945996432.db2.gz PFULPAYCTQSIQQ-SJKOYZFVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573468559 945996445 /nfs/dbraw/zinc/99/64/45/945996445.db2.gz PFULPAYCTQSIQQ-SJKOYZFVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573469223 946003885 /nfs/dbraw/zinc/00/38/85/946003885.db2.gz SZBCICNZHLEDGE-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573469223 946003896 /nfs/dbraw/zinc/00/38/96/946003896.db2.gz SZBCICNZHLEDGE-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573469785 946011642 /nfs/dbraw/zinc/01/16/42/946011642.db2.gz XLULDHYEUDPTJT-LLVKDONJSA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573469785 946011654 /nfs/dbraw/zinc/01/16/54/946011654.db2.gz XLULDHYEUDPTJT-LLVKDONJSA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573470091 946018070 /nfs/dbraw/zinc/01/80/70/946018070.db2.gz BBFVZJOPKKUMNU-CZUORRHYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573470091 946018078 /nfs/dbraw/zinc/01/80/78/946018078.db2.gz BBFVZJOPKKUMNU-CZUORRHYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470313 946019620 /nfs/dbraw/zinc/01/96/20/946019620.db2.gz CQVNBBKJVBXCHX-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573470313 946019634 /nfs/dbraw/zinc/01/96/34/946019634.db2.gz CQVNBBKJVBXCHX-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470314 946019796 /nfs/dbraw/zinc/01/97/96/946019796.db2.gz CQVNBBKJVBXCHX-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573470314 946019808 /nfs/dbraw/zinc/01/98/08/946019808.db2.gz CQVNBBKJVBXCHX-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573470969 946040276 /nfs/dbraw/zinc/04/02/76/946040276.db2.gz LJPPEOSPHQAXCN-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573470969 946040290 /nfs/dbraw/zinc/04/02/90/946040290.db2.gz LJPPEOSPHQAXCN-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573471243 946046110 /nfs/dbraw/zinc/04/61/10/946046110.db2.gz NJVXTFFYMUJRSW-ZDUSSCGKSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573471243 946046119 /nfs/dbraw/zinc/04/61/19/946046119.db2.gz NJVXTFFYMUJRSW-ZDUSSCGKSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573471242 946046320 /nfs/dbraw/zinc/04/63/20/946046320.db2.gz NJVXTFFYMUJRSW-CYBMUJFWSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573471242 946046329 /nfs/dbraw/zinc/04/63/29/946046329.db2.gz NJVXTFFYMUJRSW-CYBMUJFWSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573471205 946046894 /nfs/dbraw/zinc/04/68/94/946046894.db2.gz NERPMBUGIPSQJB-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573471205 946046903 /nfs/dbraw/zinc/04/69/03/946046903.db2.gz NERPMBUGIPSQJB-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573471207 946048078 /nfs/dbraw/zinc/04/80/78/946048078.db2.gz NERPMBUGIPSQJB-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573471207 946048089 /nfs/dbraw/zinc/04/80/89/946048089.db2.gz NERPMBUGIPSQJB-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573471680 946056403 /nfs/dbraw/zinc/05/64/03/946056403.db2.gz QFZRTXVYYLRMFX-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472673 946066331 /nfs/dbraw/zinc/06/63/31/946066331.db2.gz XEZNCJICBGLPCX-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472673 946066344 /nfs/dbraw/zinc/06/63/44/946066344.db2.gz XEZNCJICBGLPCX-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472673 946066354 /nfs/dbraw/zinc/06/63/54/946066354.db2.gz XEZNCJICBGLPCX-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472673 946066367 /nfs/dbraw/zinc/06/63/67/946066367.db2.gz XEZNCJICBGLPCX-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573472942 946070825 /nfs/dbraw/zinc/07/08/25/946070825.db2.gz YCWMGSFBJMDPJW-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472999 946072736 /nfs/dbraw/zinc/07/27/36/946072736.db2.gz YUQYLAHIGFFKHS-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573472999 946072747 /nfs/dbraw/zinc/07/27/47/946072747.db2.gz YUQYLAHIGFFKHS-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573473876 946083116 /nfs/dbraw/zinc/08/31/16/946083116.db2.gz GGRRTVPRNJLZQD-GLKRBJQHSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573473876 946083130 /nfs/dbraw/zinc/08/31/30/946083130.db2.gz GGRRTVPRNJLZQD-GLKRBJQHSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573474178 946087814 /nfs/dbraw/zinc/08/78/14/946087814.db2.gz IXWXGKSTZQDLEC-BUXKBTBVSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573474178 946087824 /nfs/dbraw/zinc/08/78/24/946087824.db2.gz IXWXGKSTZQDLEC-BUXKBTBVSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573475719 946104403 /nfs/dbraw/zinc/10/44/03/946104403.db2.gz WVYGABMSESSEDS-BLVKFPJESA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573475719 946104410 /nfs/dbraw/zinc/10/44/10/946104410.db2.gz WVYGABMSESSEDS-BLVKFPJESA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001573475716 946104672 /nfs/dbraw/zinc/10/46/72/946104672.db2.gz AEQXTUMIQXCNHV-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN O=C(NC[C@H]1CC2(CO1)CC[NH+](CCCO)CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571293599 946110620 /nfs/dbraw/zinc/11/06/20/946110620.db2.gz MEOPSUMQJHEHAT-CQSZACIVSA-N 0 3 389.460 0.178 20 0 GCADHN O=C(NC[C@H]1CC2(CO1)CC[NH+](CCCO)CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571293599 946110627 /nfs/dbraw/zinc/11/06/27/946110627.db2.gz MEOPSUMQJHEHAT-CQSZACIVSA-N 0 3 389.460 0.178 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1(C)CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573476193 946116760 /nfs/dbraw/zinc/11/67/60/946116760.db2.gz DJFXLPZBDNMAOH-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573478101 946144874 /nfs/dbraw/zinc/14/48/74/946144874.db2.gz VISOQLAPQQASQP-QFYYESIMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573478101 946144880 /nfs/dbraw/zinc/14/48/80/946144880.db2.gz VISOQLAPQQASQP-QFYYESIMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C ZINC001573478763 946150297 /nfs/dbraw/zinc/15/02/97/946150297.db2.gz YICSRAITFRGKPF-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573479405 946158807 /nfs/dbraw/zinc/15/88/07/946158807.db2.gz CMRKQAKCMVDQRW-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573479405 946158814 /nfs/dbraw/zinc/15/88/14/946158814.db2.gz CMRKQAKCMVDQRW-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573479377 946159399 /nfs/dbraw/zinc/15/93/99/946159399.db2.gz CDPOOCCCGLWWHX-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN O=C([C@H]1COCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571295794 946174052 /nfs/dbraw/zinc/17/40/52/946174052.db2.gz GGDIMCUMWNKARG-BLLLJJGKSA-N 0 3 390.419 0.359 20 0 GCADHN O=C([C@H]1COCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571295794 946174059 /nfs/dbraw/zinc/17/40/59/946174059.db2.gz GGDIMCUMWNKARG-BLLLJJGKSA-N 0 3 390.419 0.359 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573480601 946174915 /nfs/dbraw/zinc/17/49/15/946174915.db2.gz LHMOSOMDYWBJGR-CYBMUJFWSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573480601 946174927 /nfs/dbraw/zinc/17/49/27/946174927.db2.gz LHMOSOMDYWBJGR-CYBMUJFWSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573481855 946187479 /nfs/dbraw/zinc/18/74/79/946187479.db2.gz SCGNWHUBILSTCI-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573481855 946187485 /nfs/dbraw/zinc/18/74/85/946187485.db2.gz SCGNWHUBILSTCI-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001571296190 946187781 /nfs/dbraw/zinc/18/77/81/946187781.db2.gz QBTIJWXWRRCFCZ-CJNGLKHVSA-N 0 3 390.419 0.454 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001571296190 946187785 /nfs/dbraw/zinc/18/77/85/946187785.db2.gz QBTIJWXWRRCFCZ-CJNGLKHVSA-N 0 3 390.419 0.454 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482027 946188626 /nfs/dbraw/zinc/18/86/26/946188626.db2.gz SZLSEMRDLZCUCD-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482027 946188632 /nfs/dbraw/zinc/18/86/32/946188632.db2.gz SZLSEMRDLZCUCD-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573483383 946210039 /nfs/dbraw/zinc/21/00/39/946210039.db2.gz FMVWRFOSPCMLKS-ITDIGPHOSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573483383 946210048 /nfs/dbraw/zinc/21/00/48/946210048.db2.gz FMVWRFOSPCMLKS-ITDIGPHOSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573486456 946240417 /nfs/dbraw/zinc/24/04/17/946240417.db2.gz GHSZQFQGXXSDNN-IXPVHAAZSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573486665 946242485 /nfs/dbraw/zinc/24/24/85/946242485.db2.gz IGNFLGLDTGHWHG-FZQKWOKYSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573486665 946242496 /nfs/dbraw/zinc/24/24/96/946242496.db2.gz IGNFLGLDTGHWHG-FZQKWOKYSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573486972 946246528 /nfs/dbraw/zinc/24/65/28/946246528.db2.gz JVBHSWOFBMVSNS-RCBQFDQVSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573486972 946246535 /nfs/dbraw/zinc/24/65/35/946246535.db2.gz JVBHSWOFBMVSNS-RCBQFDQVSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)NC1(C(=O)NCC[NH2+]Cc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001573488920 946279695 /nfs/dbraw/zinc/27/96/95/946279695.db2.gz PYZLCBNBTGBOSO-UHFFFAOYSA-N 0 3 385.472 0.912 20 0 GCADHN CC(=O)NC1(C(=O)NCC[NH2+]Cc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001573488920 946279704 /nfs/dbraw/zinc/27/97/04/946279704.db2.gz PYZLCBNBTGBOSO-UHFFFAOYSA-N 0 3 385.472 0.912 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573496910 946335267 /nfs/dbraw/zinc/33/52/67/946335267.db2.gz GYRZKRZEJDWGSI-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001573496910 946335278 /nfs/dbraw/zinc/33/52/78/946335278.db2.gz GYRZKRZEJDWGSI-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573498879 946360466 /nfs/dbraw/zinc/36/04/66/946360466.db2.gz ABOLURSKYFPXMK-KRWDZBQOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001573498879 946360477 /nfs/dbraw/zinc/36/04/77/946360477.db2.gz ABOLURSKYFPXMK-KRWDZBQOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001573500375 946371477 /nfs/dbraw/zinc/37/14/77/946371477.db2.gz IMOXQAPKUVSKOL-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C(C)(C)C1 ZINC001573502108 946385584 /nfs/dbraw/zinc/38/55/84/946385584.db2.gz VCDKLPBYYUZADE-HNNXBMFYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573502764 946391176 /nfs/dbraw/zinc/39/11/76/946391176.db2.gz YQAXWCMSVPMVGA-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573502764 946391186 /nfs/dbraw/zinc/39/11/86/946391186.db2.gz YQAXWCMSVPMVGA-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573504552 946410943 /nfs/dbraw/zinc/41/09/43/946410943.db2.gz HJPDWHHFYMAJQM-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573504552 946410945 /nfs/dbraw/zinc/41/09/45/946410945.db2.gz HJPDWHHFYMAJQM-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573504552 946410947 /nfs/dbraw/zinc/41/09/47/946410947.db2.gz HJPDWHHFYMAJQM-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573504552 946410948 /nfs/dbraw/zinc/41/09/48/946410948.db2.gz HJPDWHHFYMAJQM-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573504762 946415121 /nfs/dbraw/zinc/41/51/21/946415121.db2.gz JIGQUVBFSLYXQV-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573504762 946415126 /nfs/dbraw/zinc/41/51/26/946415126.db2.gz JIGQUVBFSLYXQV-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573504812 946415751 /nfs/dbraw/zinc/41/57/51/946415751.db2.gz KPULYGGKFGZTAE-DYVFJYSZSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573504812 946415759 /nfs/dbraw/zinc/41/57/59/946415759.db2.gz KPULYGGKFGZTAE-DYVFJYSZSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573505343 946419310 /nfs/dbraw/zinc/41/93/10/946419310.db2.gz MNXHYDFXLLIISH-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573505343 946419318 /nfs/dbraw/zinc/41/93/18/946419318.db2.gz MNXHYDFXLLIISH-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506792 946438504 /nfs/dbraw/zinc/43/85/04/946438504.db2.gz UHZFVSFXCLZABN-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506792 946438507 /nfs/dbraw/zinc/43/85/07/946438507.db2.gz UHZFVSFXCLZABN-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506792 946438510 /nfs/dbraw/zinc/43/85/10/946438510.db2.gz UHZFVSFXCLZABN-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506792 946438517 /nfs/dbraw/zinc/43/85/17/946438517.db2.gz UHZFVSFXCLZABN-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC([N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573507179 946442474 /nfs/dbraw/zinc/44/24/74/946442474.db2.gz XCFYTWLQCWZFQG-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573507179 946442483 /nfs/dbraw/zinc/44/24/83/946442483.db2.gz XCFYTWLQCWZFQG-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC([N@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573507179 946442491 /nfs/dbraw/zinc/44/24/91/946442491.db2.gz XCFYTWLQCWZFQG-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC([N@@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573507179 946442502 /nfs/dbraw/zinc/44/25/02/946442502.db2.gz XCFYTWLQCWZFQG-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573507607 946446944 /nfs/dbraw/zinc/44/69/44/946446944.db2.gz ZSAIMSQOALPJOP-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573507607 946446946 /nfs/dbraw/zinc/44/69/46/946446946.db2.gz ZSAIMSQOALPJOP-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573507599 946447592 /nfs/dbraw/zinc/44/75/92/946447592.db2.gz ZSAIMSQOALPJOP-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573507599 946447602 /nfs/dbraw/zinc/44/76/02/946447602.db2.gz ZSAIMSQOALPJOP-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573508089 946452134 /nfs/dbraw/zinc/45/21/34/946452134.db2.gz YBSKKFYJAAUMOM-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573508089 946452136 /nfs/dbraw/zinc/45/21/36/946452136.db2.gz YBSKKFYJAAUMOM-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573510227 946473121 /nfs/dbraw/zinc/47/31/21/946473121.db2.gz CDAJCVUWIUJBAM-HNNXBMFYSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573510227 946473126 /nfs/dbraw/zinc/47/31/26/946473126.db2.gz CDAJCVUWIUJBAM-HNNXBMFYSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573510284 946476717 /nfs/dbraw/zinc/47/67/17/946476717.db2.gz DJIBXCUQSHBZSK-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573510284 946476720 /nfs/dbraw/zinc/47/67/20/946476720.db2.gz DJIBXCUQSHBZSK-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@](C)(C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573510387 946477918 /nfs/dbraw/zinc/47/79/18/946477918.db2.gz GOSNYZLAWGOPCY-SFHVURJKSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@](C)(C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573510387 946477926 /nfs/dbraw/zinc/47/79/26/946477926.db2.gz GOSNYZLAWGOPCY-SFHVURJKSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573511041 946482020 /nfs/dbraw/zinc/48/20/20/946482020.db2.gz MCEIRVYMCQVJLD-NSHDSACASA-N 0 3 377.424 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573511996 946493961 /nfs/dbraw/zinc/49/39/61/946493961.db2.gz CUFFMQCKLMYTQJ-UAGQMJEPSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573511996 946493969 /nfs/dbraw/zinc/49/39/69/946493969.db2.gz CUFFMQCKLMYTQJ-UAGQMJEPSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001573511996 946493976 /nfs/dbraw/zinc/49/39/76/946493976.db2.gz CUFFMQCKLMYTQJ-UAGQMJEPSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001573511996 946493984 /nfs/dbraw/zinc/49/39/84/946493984.db2.gz CUFFMQCKLMYTQJ-UAGQMJEPSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573513320 946509689 /nfs/dbraw/zinc/50/96/89/946509689.db2.gz MOVNQKGSFZKSBO-UHFFFAOYSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1-c1nn[n-]n1)C2 ZINC001573513320 946509701 /nfs/dbraw/zinc/50/97/01/946509701.db2.gz MOVNQKGSFZKSBO-UHFFFAOYSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573513957 946518181 /nfs/dbraw/zinc/51/81/81/946518181.db2.gz RWFYKSHBNNNDQE-CABCVRRESA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573513957 946518189 /nfs/dbraw/zinc/51/81/89/946518189.db2.gz RWFYKSHBNNNDQE-CABCVRRESA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573514539 946529227 /nfs/dbraw/zinc/52/92/27/946529227.db2.gz ZQJWJKKCPYLCDK-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573514539 946529238 /nfs/dbraw/zinc/52/92/38/946529238.db2.gz ZQJWJKKCPYLCDK-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573514539 946529244 /nfs/dbraw/zinc/52/92/44/946529244.db2.gz ZQJWJKKCPYLCDK-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573514539 946529252 /nfs/dbraw/zinc/52/92/52/946529252.db2.gz ZQJWJKKCPYLCDK-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573516957 946563914 /nfs/dbraw/zinc/56/39/14/946563914.db2.gz AOOAQYGAKBMPQE-LJQANCHMSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573516957 946563923 /nfs/dbraw/zinc/56/39/23/946563923.db2.gz AOOAQYGAKBMPQE-LJQANCHMSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573516957 946563930 /nfs/dbraw/zinc/56/39/30/946563930.db2.gz AOOAQYGAKBMPQE-LJQANCHMSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573516957 946563934 /nfs/dbraw/zinc/56/39/34/946563934.db2.gz AOOAQYGAKBMPQE-LJQANCHMSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573517458 946574184 /nfs/dbraw/zinc/57/41/84/946574184.db2.gz KORTYBRISFVVTF-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCCC1(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573520839 946602033 /nfs/dbraw/zinc/60/20/33/946602033.db2.gz NMQWBLGUXUGSBH-UHFFFAOYSA-N 0 3 389.435 0.518 20 0 GCADHN CC(=O)NCC(=O)NCCC1(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573520839 946602039 /nfs/dbraw/zinc/60/20/39/946602039.db2.gz NMQWBLGUXUGSBH-UHFFFAOYSA-N 0 3 389.435 0.518 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC001573521233 946607059 /nfs/dbraw/zinc/60/70/59/946607059.db2.gz UNFXUVVRDVACBT-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC001573521233 946607064 /nfs/dbraw/zinc/60/70/64/946607064.db2.gz UNFXUVVRDVACBT-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC001573521233 946607071 /nfs/dbraw/zinc/60/70/71/946607071.db2.gz UNFXUVVRDVACBT-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC001573521233 946607079 /nfs/dbraw/zinc/60/70/79/946607079.db2.gz UNFXUVVRDVACBT-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573521790 946612389 /nfs/dbraw/zinc/61/23/89/946612389.db2.gz HAWHSXSTFGPGNB-HZPDHXFCSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573521790 946612395 /nfs/dbraw/zinc/61/23/95/946612395.db2.gz HAWHSXSTFGPGNB-HZPDHXFCSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573523394 946633800 /nfs/dbraw/zinc/63/38/00/946633800.db2.gz QYLDRMMVFPHDBZ-UHFFFAOYSA-N 0 3 387.488 0.919 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573523394 946633806 /nfs/dbraw/zinc/63/38/06/946633806.db2.gz QYLDRMMVFPHDBZ-UHFFFAOYSA-N 0 3 387.488 0.919 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573536417 946735437 /nfs/dbraw/zinc/73/54/37/946735437.db2.gz WRTZWFAZDHCFPY-CXAGYDPISA-N 0 3 387.488 0.869 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573536417 946735444 /nfs/dbraw/zinc/73/54/44/946735444.db2.gz WRTZWFAZDHCFPY-CXAGYDPISA-N 0 3 387.488 0.869 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)C(C)C ZINC001573536626 946737402 /nfs/dbraw/zinc/73/74/02/946737402.db2.gz ZPRAOHXWBMVBFX-HLLBOEOZSA-N 0 3 385.472 0.764 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)C(C)C ZINC001573536626 946737409 /nfs/dbraw/zinc/73/74/09/946737409.db2.gz ZPRAOHXWBMVBFX-HLLBOEOZSA-N 0 3 385.472 0.764 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573536531 946738076 /nfs/dbraw/zinc/73/80/76/946738076.db2.gz XGDDTXIELFYMPR-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573536531 946738089 /nfs/dbraw/zinc/73/80/89/946738089.db2.gz XGDDTXIELFYMPR-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573536531 946738102 /nfs/dbraw/zinc/73/81/02/946738102.db2.gz XGDDTXIELFYMPR-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573536531 946738110 /nfs/dbraw/zinc/73/81/10/946738110.db2.gz XGDDTXIELFYMPR-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573537074 946742628 /nfs/dbraw/zinc/74/26/28/946742628.db2.gz GMUQOUZLXQSAGT-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573537074 946742632 /nfs/dbraw/zinc/74/26/32/946742632.db2.gz GMUQOUZLXQSAGT-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573537074 946742634 /nfs/dbraw/zinc/74/26/34/946742634.db2.gz GMUQOUZLXQSAGT-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573537074 946742639 /nfs/dbraw/zinc/74/26/39/946742639.db2.gz GMUQOUZLXQSAGT-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573538056 946762773 /nfs/dbraw/zinc/76/27/73/946762773.db2.gz VFGKKJLYPJCCCB-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573538056 946762780 /nfs/dbraw/zinc/76/27/80/946762780.db2.gz VFGKKJLYPJCCCB-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573538055 946763403 /nfs/dbraw/zinc/76/34/03/946763403.db2.gz VFGKKJLYPJCCCB-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573538055 946763411 /nfs/dbraw/zinc/76/34/11/946763411.db2.gz VFGKKJLYPJCCCB-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000826017898 947404233 /nfs/dbraw/zinc/40/42/33/947404233.db2.gz ORCUQZUEJRRVSM-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000826017898 947404241 /nfs/dbraw/zinc/40/42/41/947404241.db2.gz ORCUQZUEJRRVSM-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000826017898 947404245 /nfs/dbraw/zinc/40/42/45/947404245.db2.gz ORCUQZUEJRRVSM-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000826017898 947404250 /nfs/dbraw/zinc/40/42/50/947404250.db2.gz ORCUQZUEJRRVSM-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826028816 947410576 /nfs/dbraw/zinc/41/05/76/947410576.db2.gz ILBSLUANPPHRJA-HUUCEWRRSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826028816 947410581 /nfs/dbraw/zinc/41/05/81/947410581.db2.gz ILBSLUANPPHRJA-HUUCEWRRSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826028816 947410586 /nfs/dbraw/zinc/41/05/86/947410586.db2.gz ILBSLUANPPHRJA-HUUCEWRRSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826028816 947410607 /nfs/dbraw/zinc/41/06/07/947410607.db2.gz ILBSLUANPPHRJA-HUUCEWRRSA-N 0 3 385.476 0.799 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573595180 947417605 /nfs/dbraw/zinc/41/76/05/947417605.db2.gz GCLIXMKXSXMZQC-IAQYHMDHSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573595180 947417607 /nfs/dbraw/zinc/41/76/07/947417607.db2.gz GCLIXMKXSXMZQC-IAQYHMDHSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccn1 ZINC001573596808 947431952 /nfs/dbraw/zinc/43/19/52/947431952.db2.gz LFZPUIYMBQWGPO-CZUORRHYSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC001573596808 947431962 /nfs/dbraw/zinc/43/19/62/947431962.db2.gz LFZPUIYMBQWGPO-CZUORRHYSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573599231 947452680 /nfs/dbraw/zinc/45/26/80/947452680.db2.gz WFMPLTCQCSQQCF-RISCZKNCSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573599231 947452690 /nfs/dbraw/zinc/45/26/90/947452690.db2.gz WFMPLTCQCSQQCF-RISCZKNCSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573620316 947678973 /nfs/dbraw/zinc/67/89/73/947678973.db2.gz ZNKPQBYOZIETFQ-DZGCQCFKSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573620316 947678979 /nfs/dbraw/zinc/67/89/79/947678979.db2.gz ZNKPQBYOZIETFQ-DZGCQCFKSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573622610 947681621 /nfs/dbraw/zinc/68/16/21/947681621.db2.gz BKXPBUKSNVTIFY-LBPRGKRZSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573622610 947681629 /nfs/dbraw/zinc/68/16/29/947681629.db2.gz BKXPBUKSNVTIFY-LBPRGKRZSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573629668 947781532 /nfs/dbraw/zinc/78/15/32/947781532.db2.gz OYZGJNKMSOLNOI-JSGCOSHPSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573639736 947847649 /nfs/dbraw/zinc/84/76/49/947847649.db2.gz BWTYCQJANQMXRL-WCQYABFASA-N 0 3 385.407 0.549 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573639736 947847652 /nfs/dbraw/zinc/84/76/52/947847652.db2.gz BWTYCQJANQMXRL-WCQYABFASA-N 0 3 385.407 0.549 20 0 GCADHN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573647628 947899562 /nfs/dbraw/zinc/89/95/62/947899562.db2.gz QTDLJUIOQVOEND-XJKCOSOUSA-N 0 3 381.444 0.656 20 0 GCADHN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573647628 947899571 /nfs/dbraw/zinc/89/95/71/947899571.db2.gz QTDLJUIOQVOEND-XJKCOSOUSA-N 0 3 381.444 0.656 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573387548 947911050 /nfs/dbraw/zinc/91/10/50/947911050.db2.gz CDLYFODHORVSTM-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC001573387839 947912310 /nfs/dbraw/zinc/91/23/10/947912310.db2.gz FABGCRQKGGJLBV-MRXNPFEDSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC001573387839 947912315 /nfs/dbraw/zinc/91/23/15/947912315.db2.gz FABGCRQKGGJLBV-MRXNPFEDSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573388376 947918314 /nfs/dbraw/zinc/91/83/14/947918314.db2.gz LRQPQFLVLJJHQZ-MEDUHNTESA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573391439 947936327 /nfs/dbraw/zinc/93/63/27/947936327.db2.gz IHOZSBXTNFXYIX-OAHLLOKOSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573391439 947936331 /nfs/dbraw/zinc/93/63/31/947936331.db2.gz IHOZSBXTNFXYIX-OAHLLOKOSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573652631 947945166 /nfs/dbraw/zinc/94/51/66/947945166.db2.gz FOOSJUNJUOMQAX-XHDPSFHLSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573392888 947953106 /nfs/dbraw/zinc/95/31/06/947953106.db2.gz HKYZMZMTOJRRCN-ZDUSSCGKSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573392888 947953113 /nfs/dbraw/zinc/95/31/13/947953113.db2.gz HKYZMZMTOJRRCN-ZDUSSCGKSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573393961 947961028 /nfs/dbraw/zinc/96/10/28/947961028.db2.gz RGWCGEJLPRKOCA-IBGZPJMESA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573393961 947961035 /nfs/dbraw/zinc/96/10/35/947961035.db2.gz RGWCGEJLPRKOCA-IBGZPJMESA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C)([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573395222 947968892 /nfs/dbraw/zinc/96/88/92/947968892.db2.gz XJTSARTYAWCIHK-UHFFFAOYSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C)([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573395222 947968898 /nfs/dbraw/zinc/96/88/98/947968898.db2.gz XJTSARTYAWCIHK-UHFFFAOYSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573395160 947969101 /nfs/dbraw/zinc/96/91/01/947969101.db2.gz XIJUJLNMHDKXCI-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573395160 947969107 /nfs/dbraw/zinc/96/91/07/947969107.db2.gz XIJUJLNMHDKXCI-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001573397844 947977064 /nfs/dbraw/zinc/97/70/64/947977064.db2.gz DYALAVVNGVHSTN-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001573397844 947977072 /nfs/dbraw/zinc/97/70/72/947977072.db2.gz DYALAVVNGVHSTN-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573398527 947982699 /nfs/dbraw/zinc/98/26/99/947982699.db2.gz MDXCSIQUVHIVQD-RYUDHWBXSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573398527 947982704 /nfs/dbraw/zinc/98/27/04/947982704.db2.gz MDXCSIQUVHIVQD-RYUDHWBXSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573398554 947984342 /nfs/dbraw/zinc/98/43/42/947984342.db2.gz MTJRXLOBMRLWQM-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573398554 947984349 /nfs/dbraw/zinc/98/43/49/947984349.db2.gz MTJRXLOBMRLWQM-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573398555 947984579 /nfs/dbraw/zinc/98/45/79/947984579.db2.gz MUZICIQRKYVTNO-GFCCVEGCSA-N 0 3 391.451 0.859 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)CCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573398555 947984595 /nfs/dbraw/zinc/98/45/95/947984595.db2.gz MUZICIQRKYVTNO-GFCCVEGCSA-N 0 3 391.451 0.859 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573403082 948009478 /nfs/dbraw/zinc/00/94/78/948009478.db2.gz LEQOVPPHCXZDDG-JKSUJKDBSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573403082 948009488 /nfs/dbraw/zinc/00/94/88/948009488.db2.gz LEQOVPPHCXZDDG-JKSUJKDBSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573404582 948028034 /nfs/dbraw/zinc/02/80/34/948028034.db2.gz VGZZUSHMCSYYSL-MRXNPFEDSA-N 0 3 391.451 0.715 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001573404582 948028044 /nfs/dbraw/zinc/02/80/44/948028044.db2.gz VGZZUSHMCSYYSL-MRXNPFEDSA-N 0 3 391.451 0.715 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573662836 948029801 /nfs/dbraw/zinc/02/98/01/948029801.db2.gz HHMWYQTWLUCRRQ-XEBKBJJBSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573662836 948029809 /nfs/dbraw/zinc/02/98/09/948029809.db2.gz HHMWYQTWLUCRRQ-XEBKBJJBSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573405559 948045099 /nfs/dbraw/zinc/04/50/99/948045099.db2.gz TVVLTXYNHUJWAO-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573405559 948045110 /nfs/dbraw/zinc/04/51/10/948045110.db2.gz TVVLTXYNHUJWAO-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573664009 948046519 /nfs/dbraw/zinc/04/65/19/948046519.db2.gz QNMVJYWBNYZYFL-DNOWBOINSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573664009 948046524 /nfs/dbraw/zinc/04/65/24/948046524.db2.gz QNMVJYWBNYZYFL-DNOWBOINSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573413256 948078684 /nfs/dbraw/zinc/07/86/84/948078684.db2.gz AJBCHLFAOHLVRL-YVEFUNNKSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573413256 948078691 /nfs/dbraw/zinc/07/86/91/948078691.db2.gz AJBCHLFAOHLVRL-YVEFUNNKSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)[C@H]2C)C1 ZINC001573413328 948079461 /nfs/dbraw/zinc/07/94/61/948079461.db2.gz BUSJQQVYTWZDGI-PXAZEXFGSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)[C@H]2C)C1 ZINC001573413328 948079467 /nfs/dbraw/zinc/07/94/67/948079467.db2.gz BUSJQQVYTWZDGI-PXAZEXFGSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)[C@H]2C)C1 ZINC001573413649 948083234 /nfs/dbraw/zinc/08/32/34/948083234.db2.gz DWRBFLCWEPBWNY-SJKOYZFVSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)[C@H]2C)C1 ZINC001573413649 948083243 /nfs/dbraw/zinc/08/32/43/948083243.db2.gz DWRBFLCWEPBWNY-SJKOYZFVSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)[C@@H]2C)C1 ZINC001573413644 948083421 /nfs/dbraw/zinc/08/34/21/948083421.db2.gz DWRBFLCWEPBWNY-SJCJKPOMSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)[C@@H]2C)C1 ZINC001573413644 948083430 /nfs/dbraw/zinc/08/34/30/948083430.db2.gz DWRBFLCWEPBWNY-SJCJKPOMSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573414068 948088141 /nfs/dbraw/zinc/08/81/41/948088141.db2.gz JCFXUZVQGPCCAP-KRWDZBQOSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573414068 948088149 /nfs/dbraw/zinc/08/81/49/948088149.db2.gz JCFXUZVQGPCCAP-KRWDZBQOSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001573414109 948090830 /nfs/dbraw/zinc/09/08/30/948090830.db2.gz JMARVLCNLXFZCD-BLLLJJGKSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001573414109 948090839 /nfs/dbraw/zinc/09/08/39/948090839.db2.gz JMARVLCNLXFZCD-BLLLJJGKSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573414905 948101418 /nfs/dbraw/zinc/10/14/18/948101418.db2.gz RRKREEVKIBGFJZ-INIZCTEOSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573414905 948101424 /nfs/dbraw/zinc/10/14/24/948101424.db2.gz RRKREEVKIBGFJZ-INIZCTEOSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573418517 948117759 /nfs/dbraw/zinc/11/77/59/948117759.db2.gz GIJSRXKOQITDHS-STQMWFEESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573418517 948117769 /nfs/dbraw/zinc/11/77/69/948117769.db2.gz GIJSRXKOQITDHS-STQMWFEESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573419782 948129289 /nfs/dbraw/zinc/12/92/89/948129289.db2.gz SCFVFGHCGHMURY-LLVKDONJSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573419782 948129295 /nfs/dbraw/zinc/12/92/95/948129295.db2.gz SCFVFGHCGHMURY-LLVKDONJSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCCCC1 ZINC001573677361 948135449 /nfs/dbraw/zinc/13/54/49/948135449.db2.gz CTAULWWDZVJFQB-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573421441 948138274 /nfs/dbraw/zinc/13/82/74/948138274.db2.gz FVZJTYSTZYGEMV-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573421441 948138281 /nfs/dbraw/zinc/13/82/81/948138281.db2.gz FVZJTYSTZYGEMV-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCCC1 ZINC001573677556 948139821 /nfs/dbraw/zinc/13/98/21/948139821.db2.gz XRAUQMCLMJYEHO-ZIAGYGMSSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@H](C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[NH+]1CCCCCC1 ZINC001573677773 948142041 /nfs/dbraw/zinc/14/20/41/948142041.db2.gz DXFZEBGSVPMNJT-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573677986 948145506 /nfs/dbraw/zinc/14/55/06/948145506.db2.gz BTMGGLWOKKVDMV-KOLCDFICSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573677988 948145711 /nfs/dbraw/zinc/14/57/11/948145711.db2.gz BTMGGLWOKKVDMV-MWLCHTKSSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)[NH+]1CCCCCC1 ZINC001573678272 948147575 /nfs/dbraw/zinc/14/75/75/948147575.db2.gz CGSCYBSZLYAFAJ-ZFWWWQNUSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573678358 948148834 /nfs/dbraw/zinc/14/88/34/948148834.db2.gz CZKCKIGQJVMIGX-YPMHNXCESA-N 0 3 388.403 0.969 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573679963 948169562 /nfs/dbraw/zinc/16/95/62/948169562.db2.gz KPINAWPBVMNYNX-JSGCOSHPSA-N 0 3 387.419 0.635 20 0 GCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573430119 948176409 /nfs/dbraw/zinc/17/64/09/948176409.db2.gz ODUMMRINPRGQJE-CALCHBBNSA-N 0 3 382.472 0.926 20 0 GCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573430119 948176413 /nfs/dbraw/zinc/17/64/13/948176413.db2.gz ODUMMRINPRGQJE-CALCHBBNSA-N 0 3 382.472 0.926 20 0 GCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573430119 948176418 /nfs/dbraw/zinc/17/64/18/948176418.db2.gz ODUMMRINPRGQJE-CALCHBBNSA-N 0 3 382.472 0.926 20 0 GCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573430119 948176423 /nfs/dbraw/zinc/17/64/23/948176423.db2.gz ODUMMRINPRGQJE-CALCHBBNSA-N 0 3 382.472 0.926 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)[NH+]1CCCCCC1 ZINC001573681787 948213002 /nfs/dbraw/zinc/21/30/02/948213002.db2.gz XWIQTTSRNDTFFL-ZFWWWQNUSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573689926 948221579 /nfs/dbraw/zinc/22/15/79/948221579.db2.gz AMYXBXHPTVZLEB-GXSJLCMTSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573689926 948221587 /nfs/dbraw/zinc/22/15/87/948221587.db2.gz AMYXBXHPTVZLEB-GXSJLCMTSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573689929 948222030 /nfs/dbraw/zinc/22/20/30/948222030.db2.gz AMYXBXHPTVZLEB-ONGXEEELSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573689929 948222038 /nfs/dbraw/zinc/22/20/38/948222038.db2.gz AMYXBXHPTVZLEB-ONGXEEELSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1)n1cncn1 ZINC001573692335 948260156 /nfs/dbraw/zinc/26/01/56/948260156.db2.gz OHFGXVIKIFSSKB-NSHDSACASA-N 0 3 385.407 0.597 20 0 GCADHN C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573692281 948261204 /nfs/dbraw/zinc/26/12/04/948261204.db2.gz NSRWVJLAVOQDFF-SWLSCSKDSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573692281 948261212 /nfs/dbraw/zinc/26/12/12/948261212.db2.gz NSRWVJLAVOQDFF-SWLSCSKDSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1)n1cncn1 ZINC001573692334 948261607 /nfs/dbraw/zinc/26/16/07/948261607.db2.gz OHFGXVIKIFSSKB-LLVKDONJSA-N 0 3 385.407 0.597 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cccc1 ZINC001573692507 948265925 /nfs/dbraw/zinc/26/59/25/948265925.db2.gz PIBZVRAXJJBPNX-OCCSQVGLSA-N 0 3 387.419 0.635 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573442141 948285886 /nfs/dbraw/zinc/28/58/86/948285886.db2.gz TUNYSQOLGJCDDT-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573442141 948285894 /nfs/dbraw/zinc/28/58/94/948285894.db2.gz TUNYSQOLGJCDDT-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573694318 948293468 /nfs/dbraw/zinc/29/34/68/948293468.db2.gz CMOGRUVAOFFXEG-DNOWBOINSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573694318 948293475 /nfs/dbraw/zinc/29/34/75/948293475.db2.gz CMOGRUVAOFFXEG-DNOWBOINSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573695183 948302643 /nfs/dbraw/zinc/30/26/43/948302643.db2.gz XEEAMQIWHOQTSQ-WCQYABFASA-N 0 3 388.403 0.969 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573695183 948302651 /nfs/dbraw/zinc/30/26/51/948302651.db2.gz XEEAMQIWHOQTSQ-WCQYABFASA-N 0 3 388.403 0.969 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573445241 948321491 /nfs/dbraw/zinc/32/14/91/948321491.db2.gz YXMHSEXMNZSLIX-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573445241 948321497 /nfs/dbraw/zinc/32/14/97/948321497.db2.gz YXMHSEXMNZSLIX-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573446472 948330075 /nfs/dbraw/zinc/33/00/75/948330075.db2.gz HLVPMTXKSRHOQR-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573446472 948330083 /nfs/dbraw/zinc/33/00/83/948330083.db2.gz HLVPMTXKSRHOQR-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573446472 948330093 /nfs/dbraw/zinc/33/00/93/948330093.db2.gz HLVPMTXKSRHOQR-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573446472 948330102 /nfs/dbraw/zinc/33/01/02/948330102.db2.gz HLVPMTXKSRHOQR-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000826496653 948410271 /nfs/dbraw/zinc/41/02/71/948410271.db2.gz CWHASZDICQKTHJ-CJNGLKHVSA-N 0 3 381.433 0.832 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573727671 948555309 /nfs/dbraw/zinc/55/53/09/948555309.db2.gz BGLFPSPTPCHOKM-XNRPHZJLSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573727671 948555311 /nfs/dbraw/zinc/55/53/11/948555311.db2.gz BGLFPSPTPCHOKM-XNRPHZJLSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573731939 948600451 /nfs/dbraw/zinc/60/04/51/948600451.db2.gz ZYNSAMOPQPUEKG-XNRPHZJLSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573731939 948600455 /nfs/dbraw/zinc/60/04/55/948600455.db2.gz ZYNSAMOPQPUEKG-XNRPHZJLSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573749390 948701899 /nfs/dbraw/zinc/70/18/99/948701899.db2.gz ZMCNFNDJLVYTNF-RTXFEEFZSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573749390 948701904 /nfs/dbraw/zinc/70/19/04/948701904.db2.gz ZMCNFNDJLVYTNF-RTXFEEFZSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)n1cncn1 ZINC001573751983 948709240 /nfs/dbraw/zinc/70/92/40/948709240.db2.gz JDLXJZDJNDDOCP-DANNLKNASA-N 0 3 379.428 0.266 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)n1cncn1 ZINC001573751983 948709249 /nfs/dbraw/zinc/70/92/49/948709249.db2.gz JDLXJZDJNDDOCP-DANNLKNASA-N 0 3 379.428 0.266 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)n1cncn1 ZINC001573751983 948709255 /nfs/dbraw/zinc/70/92/55/948709255.db2.gz JDLXJZDJNDDOCP-DANNLKNASA-N 0 3 379.428 0.266 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)n1cncn1 ZINC001573751983 948709263 /nfs/dbraw/zinc/70/92/63/948709263.db2.gz JDLXJZDJNDDOCP-DANNLKNASA-N 0 3 379.428 0.266 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573752054 948710470 /nfs/dbraw/zinc/71/04/70/948710470.db2.gz KWOLSALRAXCBDX-VCOSZWKGSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573752054 948710480 /nfs/dbraw/zinc/71/04/80/948710480.db2.gz KWOLSALRAXCBDX-VCOSZWKGSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573752042 948710579 /nfs/dbraw/zinc/71/05/79/948710579.db2.gz KMSBAHNHNBCDLX-LERXQTSPSA-N 0 3 385.407 0.595 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573752042 948710587 /nfs/dbraw/zinc/71/05/87/948710587.db2.gz KMSBAHNHNBCDLX-LERXQTSPSA-N 0 3 385.407 0.595 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573752355 948712471 /nfs/dbraw/zinc/71/24/71/948712471.db2.gz NCHUOFPLWDXEJG-XKVFNRALSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573752355 948712477 /nfs/dbraw/zinc/71/24/77/948712477.db2.gz NCHUOFPLWDXEJG-XKVFNRALSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCCC1 ZINC001573752300 948713059 /nfs/dbraw/zinc/71/30/59/948713059.db2.gz MPRZMSFBTDCXSS-MGPQQGTHSA-N 0 3 385.476 0.980 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573754011 948724748 /nfs/dbraw/zinc/72/47/48/948724748.db2.gz ZMCNFNDJLVYTNF-RAIGVLPGSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573754011 948724755 /nfs/dbraw/zinc/72/47/55/948724755.db2.gz ZMCNFNDJLVYTNF-RAIGVLPGSA-N 0 3 378.458 0.037 20 0 GCADHN CC(C)(C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[NH+]1CCCC1 ZINC001573762402 948854728 /nfs/dbraw/zinc/85/47/28/948854728.db2.gz WAHBIYLEDPSQCR-UHFFFAOYSA-N 0 3 386.460 0.257 20 0 GCADHN CC(C)(C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCC1 ZINC001573762402 948854747 /nfs/dbraw/zinc/85/47/47/948854747.db2.gz WAHBIYLEDPSQCR-UHFFFAOYSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H](CNC(=O)CCCS(C)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574919227 948874755 /nfs/dbraw/zinc/87/47/55/948874755.db2.gz WWVFNCBWHKABJJ-GFCCVEGCSA-N 0 3 380.474 0.286 20 0 GCADHN C[C@H](CNC(=O)CCCS(C)(=O)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574919227 948874772 /nfs/dbraw/zinc/87/47/72/948874772.db2.gz WWVFNCBWHKABJJ-GFCCVEGCSA-N 0 3 380.474 0.286 20 0 GCADHN C[C@H](CNC(=O)CCc1cncn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574920226 948891685 /nfs/dbraw/zinc/89/16/85/948891685.db2.gz GFXHPVOXORGXEV-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)(C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[NH+]1CCCC1 ZINC001573765250 948903446 /nfs/dbraw/zinc/90/34/46/948903446.db2.gz XOYWYTZEVVAILS-UHFFFAOYSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574920501 948904594 /nfs/dbraw/zinc/90/45/94/948904594.db2.gz MUMAZDWCXOUKIM-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574920501 948904606 /nfs/dbraw/zinc/90/46/06/948904606.db2.gz MUMAZDWCXOUKIM-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574920501 948904613 /nfs/dbraw/zinc/90/46/13/948904613.db2.gz MUMAZDWCXOUKIM-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574920501 948904621 /nfs/dbraw/zinc/90/46/21/948904621.db2.gz MUMAZDWCXOUKIM-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN CC(C)(C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001573765390 948908948 /nfs/dbraw/zinc/90/89/48/948908948.db2.gz BMWOQRUEPWBJON-CYBMUJFWSA-N 0 3 385.476 0.934 20 0 GCADHN CC(C)c1nccn1CC(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574427718 948911107 /nfs/dbraw/zinc/91/11/07/948911107.db2.gz MENNPNZBWPDBQM-ZDUSSCGKSA-N 0 3 383.460 0.963 20 0 GCADHN CC(C)(C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCC1 ZINC001573765958 948929153 /nfs/dbraw/zinc/92/91/53/948929153.db2.gz RIWBAZRGRSFOSZ-ZDUSSCGKSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](CNC(=O)CCn1cnnn1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574924144 948967408 /nfs/dbraw/zinc/96/74/08/948967408.db2.gz XKBJJJFWUDQXKY-LLVKDONJSA-N 0 3 388.411 0.019 20 0 GCADHN C[C@H](CNC(=O)CCn1cnnn1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574924144 948967420 /nfs/dbraw/zinc/96/74/20/948967420.db2.gz XKBJJJFWUDQXKY-LLVKDONJSA-N 0 3 388.411 0.019 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574434406 948980366 /nfs/dbraw/zinc/98/03/66/948980366.db2.gz JBFICOABGOKEEC-LBPRGKRZSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574434406 948980373 /nfs/dbraw/zinc/98/03/73/948980373.db2.gz JBFICOABGOKEEC-LBPRGKRZSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)[NH+]1CCCC1 ZINC001573773590 948987976 /nfs/dbraw/zinc/98/79/76/948987976.db2.gz MTBFTXXZEAITJB-CYBMUJFWSA-N 0 3 388.451 0.970 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575243123 948990363 /nfs/dbraw/zinc/99/03/63/948990363.db2.gz NJLNTHPZJLMRBK-TZMCWYRMSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575243123 948990369 /nfs/dbraw/zinc/99/03/69/948990369.db2.gz NJLNTHPZJLMRBK-TZMCWYRMSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574926189 948991409 /nfs/dbraw/zinc/99/14/09/948991409.db2.gz KFJBRAQWGILMJQ-LBPRGKRZSA-N 0 3 375.481 0.576 20 0 GCADHN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574926189 948991420 /nfs/dbraw/zinc/99/14/20/948991420.db2.gz KFJBRAQWGILMJQ-LBPRGKRZSA-N 0 3 375.481 0.576 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575243242 948995070 /nfs/dbraw/zinc/99/50/70/948995070.db2.gz OWCUPOSVZYNURR-GXTWGEPZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575243242 948995081 /nfs/dbraw/zinc/99/50/81/948995081.db2.gz OWCUPOSVZYNURR-GXTWGEPZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575243242 948995092 /nfs/dbraw/zinc/99/50/92/948995092.db2.gz OWCUPOSVZYNURR-GXTWGEPZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575243242 948995102 /nfs/dbraw/zinc/99/51/02/948995102.db2.gz OWCUPOSVZYNURR-GXTWGEPZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575244003 949003257 /nfs/dbraw/zinc/00/32/57/949003257.db2.gz UQTODUWVDIPEFW-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575244003 949003274 /nfs/dbraw/zinc/00/32/74/949003274.db2.gz UQTODUWVDIPEFW-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575244003 949003294 /nfs/dbraw/zinc/00/32/94/949003294.db2.gz UQTODUWVDIPEFW-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575244003 949003306 /nfs/dbraw/zinc/00/33/06/949003306.db2.gz UQTODUWVDIPEFW-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575244216 949019023 /nfs/dbraw/zinc/01/90/23/949019023.db2.gz YAXOHCCOUZQKNC-STQMWFEESA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575244216 949019037 /nfs/dbraw/zinc/01/90/37/949019037.db2.gz YAXOHCCOUZQKNC-STQMWFEESA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001575244227 949019224 /nfs/dbraw/zinc/01/92/24/949019224.db2.gz YKTYBSBLHLJWLP-UKRRQHHQSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@@H](F)CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001575244227 949019242 /nfs/dbraw/zinc/01/92/42/949019242.db2.gz YKTYBSBLHLJWLP-UKRRQHHQSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@@H](F)CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001575244227 949019284 /nfs/dbraw/zinc/01/92/84/949019284.db2.gz YKTYBSBLHLJWLP-UKRRQHHQSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@@H](F)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001575244227 949019260 /nfs/dbraw/zinc/01/92/60/949019260.db2.gz YKTYBSBLHLJWLP-UKRRQHHQSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574926985 949036424 /nfs/dbraw/zinc/03/64/24/949036424.db2.gz DYDISJJZXMJIMG-NSHDSACASA-N 0 3 390.423 0.015 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926985 949036405 /nfs/dbraw/zinc/03/64/05/949036405.db2.gz DYDISJJZXMJIMG-NSHDSACASA-N 0 3 390.423 0.015 20 0 GCADHN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]cn1 ZINC001573775267 949037643 /nfs/dbraw/zinc/03/76/43/949037643.db2.gz VFDYBKCRNZHGBR-JTQLQIEISA-N 0 3 390.473 0.196 20 0 GCADHN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1c[nH]cn1 ZINC001573775267 949037663 /nfs/dbraw/zinc/03/76/63/949037663.db2.gz VFDYBKCRNZHGBR-JTQLQIEISA-N 0 3 390.473 0.196 20 0 GCADHN CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573779244 949052567 /nfs/dbraw/zinc/05/25/67/949052567.db2.gz DVZODPZYBBGSFC-ZDUSSCGKSA-N 0 3 385.476 0.474 20 0 GCADHN CC(C)(C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH+]1CCCC1 ZINC001573779277 949057768 /nfs/dbraw/zinc/05/77/68/949057768.db2.gz GCCYXFJLBLMRNB-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)(C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCC1 ZINC001573779307 949060239 /nfs/dbraw/zinc/06/02/39/949060239.db2.gz GXJTUBLYINBDEN-CYBMUJFWSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574928886 949063118 /nfs/dbraw/zinc/06/31/18/949063118.db2.gz SCLGELRNIZSGOL-JTQLQIEISA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574928886 949063096 /nfs/dbraw/zinc/06/30/96/949063096.db2.gz SCLGELRNIZSGOL-JTQLQIEISA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CN(C)C(=O)C(C)(C)C(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574694085 949064744 /nfs/dbraw/zinc/06/47/44/949064744.db2.gz KMOVKYFAMMPDNH-SNVBAGLBSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](NC(=O)C(C)(C)C)C(=O)NCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575248501 949072964 /nfs/dbraw/zinc/07/29/64/949072964.db2.gz SUTRPMWYVNUGOR-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H](NC(=O)C(C)(C)C)C(=O)NCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575248501 949072985 /nfs/dbraw/zinc/07/29/85/949072985.db2.gz SUTRPMWYVNUGOR-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575248499 949075488 /nfs/dbraw/zinc/07/54/88/949075488.db2.gz SUTRPMWYVNUGOR-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575248499 949075470 /nfs/dbraw/zinc/07/54/70/949075470.db2.gz SUTRPMWYVNUGOR-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H](CNC(=O)COC[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574929204 949082339 /nfs/dbraw/zinc/08/23/39/949082339.db2.gz ASWXLSXRLNVQBE-ZBFHGGJFSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CNC(=O)COC[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574929204 949082306 /nfs/dbraw/zinc/08/23/06/949082306.db2.gz ASWXLSXRLNVQBE-ZBFHGGJFSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CNC(=O)COC[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574929204 949082320 /nfs/dbraw/zinc/08/23/20/949082320.db2.gz ASWXLSXRLNVQBE-ZBFHGGJFSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CNC(=O)COC[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574929204 949082360 /nfs/dbraw/zinc/08/23/60/949082360.db2.gz ASWXLSXRLNVQBE-ZBFHGGJFSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](F)CC[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575249182 949087670 /nfs/dbraw/zinc/08/76/70/949087670.db2.gz XELSDBPJHGVXEB-GFCCVEGCSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@@H](F)CC[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575249182 949087687 /nfs/dbraw/zinc/08/76/87/949087687.db2.gz XELSDBPJHGVXEB-GFCCVEGCSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574694617 949088803 /nfs/dbraw/zinc/08/88/03/949088803.db2.gz SRJKGJAXNMVYBT-LBPRGKRZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574694845 949095934 /nfs/dbraw/zinc/09/59/34/949095934.db2.gz WZBBGLFFVQISAM-LBPRGKRZSA-N 0 3 388.476 0.646 20 0 GCADHN CC(C)(C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001573781026 949101237 /nfs/dbraw/zinc/10/12/37/949101237.db2.gz AJXIRBSLTZFNHL-UHFFFAOYSA-N 0 3 384.437 0.035 20 0 GCADHN CC(C)(C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573781741 949111102 /nfs/dbraw/zinc/11/11/02/949111102.db2.gz MWDVYJOQPYPCGX-UHFFFAOYSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574931401 949117559 /nfs/dbraw/zinc/11/75/59/949117559.db2.gz OXVGEOHPBNKELD-AAEUAGOBSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574931401 949117565 /nfs/dbraw/zinc/11/75/65/949117565.db2.gz OXVGEOHPBNKELD-AAEUAGOBSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574931555 949121309 /nfs/dbraw/zinc/12/13/09/949121309.db2.gz QQROFIKZFKJABL-NSHDSACASA-N 0 3 392.439 0.428 20 0 GCADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574931555 949121318 /nfs/dbraw/zinc/12/13/18/949121318.db2.gz QQROFIKZFKJABL-NSHDSACASA-N 0 3 392.439 0.428 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574447124 949155358 /nfs/dbraw/zinc/15/53/58/949155358.db2.gz HARIKKLVZCBBCD-SNVBAGLBSA-N 0 3 391.457 0.920 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCC1 ZINC001573787595 949181428 /nfs/dbraw/zinc/18/14/28/949181428.db2.gz YJNSELHLBRLKLT-JOCQHMNTSA-N 0 3 385.476 0.980 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573787888 949186194 /nfs/dbraw/zinc/18/61/94/949186194.db2.gz CXNYXFXNVBMOST-GJZGRUSLSA-N 0 3 385.472 0.753 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573787888 949186204 /nfs/dbraw/zinc/18/62/04/949186204.db2.gz CXNYXFXNVBMOST-GJZGRUSLSA-N 0 3 385.472 0.753 20 0 GCADHN C[C@@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574935125 949196091 /nfs/dbraw/zinc/19/60/91/949196091.db2.gz ZTKGUYBFUFZJLO-ZDUSSCGKSA-N 0 3 384.444 0.411 20 0 GCADHN C[C@@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574935125 949196098 /nfs/dbraw/zinc/19/60/98/949196098.db2.gz ZTKGUYBFUFZJLO-ZDUSSCGKSA-N 0 3 384.444 0.411 20 0 GCADHN C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575255024 949220046 /nfs/dbraw/zinc/22/00/46/949220046.db2.gz OQTWWSCKOUIQSM-LLVKDONJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575255024 949220068 /nfs/dbraw/zinc/22/00/68/949220068.db2.gz OQTWWSCKOUIQSM-LLVKDONJSA-N 0 3 386.460 0.113 20 0 GCADHN CC(C)(C)C(=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573793078 949283334 /nfs/dbraw/zinc/28/33/34/949283334.db2.gz KGUUELNDOMBWDE-NSHDSACASA-N 0 3 378.408 0.188 20 0 GCADHN CC(C)(C)C(=O)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573793078 949283359 /nfs/dbraw/zinc/28/33/59/949283359.db2.gz KGUUELNDOMBWDE-NSHDSACASA-N 0 3 378.408 0.188 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574702417 949283377 /nfs/dbraw/zinc/28/33/77/949283377.db2.gz IVCHQFDYQVISHK-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574702417 949283397 /nfs/dbraw/zinc/28/33/97/949283397.db2.gz IVCHQFDYQVISHK-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H]1CCCC[C@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576153757 949295294 /nfs/dbraw/zinc/29/52/94/949295294.db2.gz AUQNOZUHKVKBQT-KPZWWZAWSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)C1=COCCO1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574703242 949319562 /nfs/dbraw/zinc/31/95/62/949319562.db2.gz AKAZTWHFRVAABV-NSHDSACASA-N 0 3 376.392 0.831 20 0 GCADHN C[C@@H](CN(C)C(=O)C1=COCCO1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574703242 949319584 /nfs/dbraw/zinc/31/95/84/949319584.db2.gz AKAZTWHFRVAABV-NSHDSACASA-N 0 3 376.392 0.831 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574703567 949338618 /nfs/dbraw/zinc/33/86/18/949338618.db2.gz WKCIIEHRGRROTI-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574703567 949338640 /nfs/dbraw/zinc/33/86/40/949338640.db2.gz WKCIIEHRGRROTI-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)n1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)n1 ZINC001574458679 949348398 /nfs/dbraw/zinc/34/83/98/949348398.db2.gz XOMKPKAHBKQYEQ-AWEZNQCLSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)n1 ZINC001574458679 949348419 /nfs/dbraw/zinc/34/84/19/949348419.db2.gz XOMKPKAHBKQYEQ-AWEZNQCLSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704574 949392899 /nfs/dbraw/zinc/39/28/99/949392899.db2.gz DBEAWDXAASYJSJ-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704574 949392919 /nfs/dbraw/zinc/39/29/19/949392919.db2.gz DBEAWDXAASYJSJ-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704573 949395336 /nfs/dbraw/zinc/39/53/36/949395336.db2.gz DBEAWDXAASYJSJ-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704573 949395355 /nfs/dbraw/zinc/39/53/55/949395355.db2.gz DBEAWDXAASYJSJ-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574705247 949416810 /nfs/dbraw/zinc/41/68/10/949416810.db2.gz GPTHALVQSZEWIT-SWLSCSKDSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H](CNC(=O)Cc1cnn(C)c1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574946001 949426037 /nfs/dbraw/zinc/42/60/37/949426037.db2.gz RNHWHWVRBSOTAB-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)Cc1cnn(C)c1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574946001 949426052 /nfs/dbraw/zinc/42/60/52/949426052.db2.gz RNHWHWVRBSOTAB-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574705757 949436038 /nfs/dbraw/zinc/43/60/38/949436038.db2.gz UVVQVXYTNHASRN-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574705757 949436053 /nfs/dbraw/zinc/43/60/53/949436053.db2.gz UVVQVXYTNHASRN-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574948498 949465660 /nfs/dbraw/zinc/46/56/60/949465660.db2.gz JWXXLXWOVSQJPD-LBPRGKRZSA-N 0 3 381.444 0.630 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574708261 949488286 /nfs/dbraw/zinc/48/82/86/949488286.db2.gz UVKHDPTVNDERGH-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574708261 949488295 /nfs/dbraw/zinc/48/82/95/949488295.db2.gz UVKHDPTVNDERGH-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574949994 949525865 /nfs/dbraw/zinc/52/58/65/949525865.db2.gz JESZSQZICYEWJI-BBRMVZONSA-N 0 3 385.472 0.860 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574949994 949525887 /nfs/dbraw/zinc/52/58/87/949525887.db2.gz JESZSQZICYEWJI-BBRMVZONSA-N 0 3 385.472 0.860 20 0 GCADHN C[C@H](CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574472474 949551226 /nfs/dbraw/zinc/55/12/26/949551226.db2.gz VIYCQQOEWGVDJZ-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574951260 949553476 /nfs/dbraw/zinc/55/34/76/949553476.db2.gz YBENXFCSRZIGGE-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574951260 949553489 /nfs/dbraw/zinc/55/34/89/949553489.db2.gz YBENXFCSRZIGGE-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574951262 949554285 /nfs/dbraw/zinc/55/42/85/949554285.db2.gz YBENXFCSRZIGGE-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574951262 949554294 /nfs/dbraw/zinc/55/42/94/949554294.db2.gz YBENXFCSRZIGGE-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574711976 949564125 /nfs/dbraw/zinc/56/41/25/949564125.db2.gz OVSMMFHUJRTDOL-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001574124397 949570160 /nfs/dbraw/zinc/57/01/60/949570160.db2.gz GPJZOMKMTFEQHP-RISCZKNCSA-N 0 3 391.451 0.748 20 0 GCADHN C[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576165919 949572854 /nfs/dbraw/zinc/57/28/54/949572854.db2.gz KKQYIQOQKMEFIE-BNOWGMLFSA-N 0 3 386.460 0.446 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001574126092 949599143 /nfs/dbraw/zinc/59/91/43/949599143.db2.gz ZIKCLIMSVHZDCF-XHSDSOJGSA-N 0 3 385.472 0.751 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001574126092 949599163 /nfs/dbraw/zinc/59/91/63/949599163.db2.gz ZIKCLIMSVHZDCF-XHSDSOJGSA-N 0 3 385.472 0.751 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574713730 949614094 /nfs/dbraw/zinc/61/40/94/949614094.db2.gz BQVYPQSGKOVUOT-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575271423 949617686 /nfs/dbraw/zinc/61/76/86/949617686.db2.gz KHBJXXORISWSLT-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575271423 949617704 /nfs/dbraw/zinc/61/77/04/949617704.db2.gz KHBJXXORISWSLT-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574713911 949618223 /nfs/dbraw/zinc/61/82/23/949618223.db2.gz ZIOIHWDPOMCENE-MLGOLLRUSA-N 0 3 391.451 0.273 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1COCCO1 ZINC001573812817 949621649 /nfs/dbraw/zinc/62/16/49/949621649.db2.gz UVEPBQCQRPCXTL-HZPDHXFCSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1COCCO1 ZINC001573812817 949621664 /nfs/dbraw/zinc/62/16/64/949621664.db2.gz UVEPBQCQRPCXTL-HZPDHXFCSA-N 0 3 388.472 0.903 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575271814 949628344 /nfs/dbraw/zinc/62/83/44/949628344.db2.gz MPAFQQPWOZQGTB-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271814 949628351 /nfs/dbraw/zinc/62/83/51/949628351.db2.gz MPAFQQPWOZQGTB-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573813211 949629876 /nfs/dbraw/zinc/62/98/76/949629876.db2.gz WZQDDGJLUQKEFP-UONOGXRCSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573813211 949629889 /nfs/dbraw/zinc/62/98/89/949629889.db2.gz WZQDDGJLUQKEFP-UONOGXRCSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715495 949657784 /nfs/dbraw/zinc/65/77/84/949657784.db2.gz DFEAJIMKJNUYGC-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715495 949657796 /nfs/dbraw/zinc/65/77/96/949657796.db2.gz DFEAJIMKJNUYGC-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876877 949659004 /nfs/dbraw/zinc/65/90/04/949659004.db2.gz YWBSWAFQLLNOLW-DGCLKSJQSA-N 0 3 384.444 0.010 20 0 GCADHN C[C@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCOC1 ZINC001575548211 949663386 /nfs/dbraw/zinc/66/33/86/949663386.db2.gz UIHPTGJLDWADOH-BEFAXECRSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCOC1 ZINC001575548211 949663398 /nfs/dbraw/zinc/66/33/98/949663398.db2.gz UIHPTGJLDWADOH-BEFAXECRSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575273855 949674614 /nfs/dbraw/zinc/67/46/14/949674614.db2.gz YNOYZDTWJLPCQZ-IUODEOHRSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575273855 949674629 /nfs/dbraw/zinc/67/46/29/949674629.db2.gz YNOYZDTWJLPCQZ-IUODEOHRSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001576169347 949677093 /nfs/dbraw/zinc/67/70/93/949677093.db2.gz GUCLWPSFZXBMCA-OLZOCXBDSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574716123 949686001 /nfs/dbraw/zinc/68/60/01/949686001.db2.gz MPVBRQOMOXYASH-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575880906 949706652 /nfs/dbraw/zinc/70/66/52/949706652.db2.gz VSISYDGIOXGWGR-GXTWGEPZSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575880906 949706669 /nfs/dbraw/zinc/70/66/69/949706669.db2.gz VSISYDGIOXGWGR-GXTWGEPZSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@H](CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574717139 949727338 /nfs/dbraw/zinc/72/73/38/949727338.db2.gz UTBRIOJKMMHFMX-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574717139 949727355 /nfs/dbraw/zinc/72/73/55/949727355.db2.gz UTBRIOJKMMHFMX-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CC(=O)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574480843 949757771 /nfs/dbraw/zinc/75/77/71/949757771.db2.gz KLQNONXVOSNENT-LBPRGKRZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574480843 949757780 /nfs/dbraw/zinc/75/77/80/949757780.db2.gz KLQNONXVOSNENT-LBPRGKRZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574964400 949776169 /nfs/dbraw/zinc/77/61/69/949776169.db2.gz VPLLGGURRBQCQG-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575882878 949798592 /nfs/dbraw/zinc/79/85/92/949798592.db2.gz BKCBLLJCUBYLDD-AAEUAGOBSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575882878 949798606 /nfs/dbraw/zinc/79/86/06/949798606.db2.gz BKCBLLJCUBYLDD-AAEUAGOBSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575281220 949804297 /nfs/dbraw/zinc/80/42/97/949804297.db2.gz DWBREIQNPWYBAH-RYUDHWBXSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575281220 949804321 /nfs/dbraw/zinc/80/43/21/949804321.db2.gz DWBREIQNPWYBAH-RYUDHWBXSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574965658 949806311 /nfs/dbraw/zinc/80/63/11/949806311.db2.gz ISBFDJQOMXMFPE-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574965658 949806337 /nfs/dbraw/zinc/80/63/37/949806337.db2.gz ISBFDJQOMXMFPE-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001575281388 949806520 /nfs/dbraw/zinc/80/65/20/949806520.db2.gz FQBQFBVPLQLKRL-OLZOCXBDSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001575281388 949806543 /nfs/dbraw/zinc/80/65/43/949806543.db2.gz FQBQFBVPLQLKRL-OLZOCXBDSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574965659 949807854 /nfs/dbraw/zinc/80/78/54/949807854.db2.gz ISBFDJQOMXMFPE-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574965659 949807872 /nfs/dbraw/zinc/80/78/72/949807872.db2.gz ISBFDJQOMXMFPE-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576172612 949809293 /nfs/dbraw/zinc/80/92/93/949809293.db2.gz YAAPXDNPDVTFHJ-DOMZBBRYSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576172612 949809315 /nfs/dbraw/zinc/80/93/15/949809315.db2.gz YAAPXDNPDVTFHJ-DOMZBBRYSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281476 949813907 /nfs/dbraw/zinc/81/39/07/949813907.db2.gz GQUVZWDKAUWSEV-GWMXKSKGSA-N 0 3 386.460 0.302 20 0 GCADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574721752 949822595 /nfs/dbraw/zinc/82/25/95/949822595.db2.gz NKJXFFSDXITELX-JTQLQIEISA-N 0 3 378.412 0.001 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574721846 949824020 /nfs/dbraw/zinc/82/40/20/949824020.db2.gz ONBJJMCTMDJHLI-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574721846 949824036 /nfs/dbraw/zinc/82/40/36/949824036.db2.gz ONBJJMCTMDJHLI-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CN(C)C(=O)CCS(C)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574721877 949824366 /nfs/dbraw/zinc/82/43/66/949824366.db2.gz OSAKCFJZTQEQPJ-GFCCVEGCSA-N 0 3 380.474 0.238 20 0 GCADHN C[C@H](CN(C)C(=O)CCS(C)(=O)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574721877 949824391 /nfs/dbraw/zinc/82/43/91/949824391.db2.gz OSAKCFJZTQEQPJ-GFCCVEGCSA-N 0 3 380.474 0.238 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575282199 949826251 /nfs/dbraw/zinc/82/62/51/949826251.db2.gz IYAIUZDMEQAEBQ-NWDGAFQWSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575282201 949826599 /nfs/dbraw/zinc/82/65/99/949826599.db2.gz IYAIUZDMEQAEBQ-RYUDHWBXSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574483991 949855031 /nfs/dbraw/zinc/85/50/31/949855031.db2.gz BMNYGOPONZOUPZ-DOMZBBRYSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574483991 949855046 /nfs/dbraw/zinc/85/50/46/949855046.db2.gz BMNYGOPONZOUPZ-DOMZBBRYSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574967254 949865307 /nfs/dbraw/zinc/86/53/07/949865307.db2.gz FSILYJMAOAXTHZ-LBPRGKRZSA-N 0 3 380.456 0.997 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001574967375 949869832 /nfs/dbraw/zinc/86/98/32/949869832.db2.gz HOQBDEYWOIZNCB-BXUZGUMPSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001574967384 949873424 /nfs/dbraw/zinc/87/34/24/949873424.db2.gz HOQBDEYWOIZNCB-SMDDNHRTSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](NC(=O)C[NH2+][C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)C1CC1 ZINC001575283463 949877193 /nfs/dbraw/zinc/87/71/93/949877193.db2.gz PBZGPWSMCCSYRC-BONVTDFDSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)N1CCC(C)CC1 ZINC001576178219 949883608 /nfs/dbraw/zinc/88/36/08/949883608.db2.gz GNNDDEHAKDNLGZ-QWHCGFSZSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](C[NH2+][C@@H](C)C(=O)N1CCC(C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576178342 949886782 /nfs/dbraw/zinc/88/67/82/949886782.db2.gz HSSRBWMBFSIXDR-STQMWFEESA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574725655 949906491 /nfs/dbraw/zinc/90/64/91/949906491.db2.gz VBABRORHYLCVBV-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574725690 949911390 /nfs/dbraw/zinc/91/13/90/949911390.db2.gz ASAJFIRHJVUMBU-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574725690 949911409 /nfs/dbraw/zinc/91/14/09/949911409.db2.gz ASAJFIRHJVUMBU-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574725909 949912762 /nfs/dbraw/zinc/91/27/62/949912762.db2.gz DHRBUMUFXQNDPT-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574725909 949912780 /nfs/dbraw/zinc/91/27/80/949912780.db2.gz DHRBUMUFXQNDPT-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574485215 949917918 /nfs/dbraw/zinc/91/79/18/949917918.db2.gz VDCMRMAPSHPSBQ-GXTWGEPZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(N)=O ZINC001574485215 949917936 /nfs/dbraw/zinc/91/79/36/949917936.db2.gz VDCMRMAPSHPSBQ-GXTWGEPZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574726023 949924261 /nfs/dbraw/zinc/92/42/61/949924261.db2.gz FPHCAZZLNCHQRN-RHSMWYFYSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284926 949926671 /nfs/dbraw/zinc/92/66/71/949926671.db2.gz XEDUXXZQUWQEGJ-CDWSIMAYSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574487717 949938040 /nfs/dbraw/zinc/93/80/40/949938040.db2.gz BJLDCQKUBVCLNJ-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574487717 949938053 /nfs/dbraw/zinc/93/80/53/949938053.db2.gz BJLDCQKUBVCLNJ-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574726513 949941628 /nfs/dbraw/zinc/94/16/28/949941628.db2.gz JMORMEAGZPNDQE-CYBMUJFWSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001574972513 949941831 /nfs/dbraw/zinc/94/18/31/949941831.db2.gz CJFTXTIKINNWJP-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)NC(N)=O ZINC001574488403 949945957 /nfs/dbraw/zinc/94/59/57/949945957.db2.gz FJCFYFDBGABCRR-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)NC(N)=O ZINC001574488403 949945968 /nfs/dbraw/zinc/94/59/68/949945968.db2.gz FJCFYFDBGABCRR-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)NC(N)=O ZINC001574488401 949947724 /nfs/dbraw/zinc/94/77/24/949947724.db2.gz FJCFYFDBGABCRR-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)NC(N)=O ZINC001574488401 949947743 /nfs/dbraw/zinc/94/77/43/949947743.db2.gz FJCFYFDBGABCRR-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)NC(N)=O ZINC001574488847 949952490 /nfs/dbraw/zinc/95/24/90/949952490.db2.gz GSFBJBUWRMLPCY-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)NC(N)=O ZINC001574488847 949952506 /nfs/dbraw/zinc/95/25/06/949952506.db2.gz GSFBJBUWRMLPCY-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576180572 949961681 /nfs/dbraw/zinc/96/16/81/949961681.db2.gz FGIFAPSQSKGTMX-ZDUSSCGKSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576180572 949961698 /nfs/dbraw/zinc/96/16/98/949961698.db2.gz FGIFAPSQSKGTMX-ZDUSSCGKSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574727273 949961908 /nfs/dbraw/zinc/96/19/08/949961908.db2.gz RDEHPVCHFNTEAV-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574727283 949962269 /nfs/dbraw/zinc/96/22/69/949962269.db2.gz RHGAJSPWNJPXLN-IUODEOHRSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574489677 949969283 /nfs/dbraw/zinc/96/92/83/949969283.db2.gz KQCZPGDDTSGPPZ-LALPHHSUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574489677 949969300 /nfs/dbraw/zinc/96/93/00/949969300.db2.gz KQCZPGDDTSGPPZ-LALPHHSUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576180662 949971664 /nfs/dbraw/zinc/97/16/64/949971664.db2.gz PZTLULIRDRDUIZ-CYBMUJFWSA-N 0 3 388.476 0.600 20 0 GCADHN C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576180662 949971680 /nfs/dbraw/zinc/97/16/80/949971680.db2.gz PZTLULIRDRDUIZ-CYBMUJFWSA-N 0 3 388.476 0.600 20 0 GCADHN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575286382 949977756 /nfs/dbraw/zinc/97/77/56/949977756.db2.gz VUIZSMNGFQNSNH-NWDGAFQWSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575286382 949977773 /nfs/dbraw/zinc/97/77/73/949977773.db2.gz VUIZSMNGFQNSNH-NWDGAFQWSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1cncn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574728464 949983209 /nfs/dbraw/zinc/98/32/09/949983209.db2.gz ATZAFQOVTWAUGG-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1cncn1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574728486 949991153 /nfs/dbraw/zinc/99/11/53/949991153.db2.gz BJRAWTYSOAEHMJ-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574490464 949994880 /nfs/dbraw/zinc/99/48/80/949994880.db2.gz SFNZOYRCHDTOFN-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574490464 949994894 /nfs/dbraw/zinc/99/48/94/949994894.db2.gz SFNZOYRCHDTOFN-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576181388 950003102 /nfs/dbraw/zinc/00/31/02/950003102.db2.gz HVSGJCSVNAPOCG-ZDUSSCGKSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576181388 950003127 /nfs/dbraw/zinc/00/31/27/950003127.db2.gz HVSGJCSVNAPOCG-ZDUSSCGKSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1ccn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574728792 950010564 /nfs/dbraw/zinc/01/05/64/950010564.db2.gz JTGLNFBTEFEUNM-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1ccn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574728791 950010873 /nfs/dbraw/zinc/01/08/73/950010873.db2.gz JTGLNFBTEFEUNM-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1cnn(C)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574729042 950019209 /nfs/dbraw/zinc/01/92/09/950019209.db2.gz MUVHGSQSSUUIGN-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575574781 950027524 /nfs/dbraw/zinc/02/75/24/950027524.db2.gz YXBBEUQIAOLISJ-ZDUSSCGKSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CCC2)CCNC1=O ZINC001575574923 950035607 /nfs/dbraw/zinc/03/56/07/950035607.db2.gz CEDPRGRAGLGQHD-SFHVURJKSA-N 0 3 383.456 0.521 20 0 GCADHN C[C@H](CC(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574491995 950056384 /nfs/dbraw/zinc/05/63/84/950056384.db2.gz HZZGTEXBUPLLGI-LKSINWNRSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574491995 950056408 /nfs/dbraw/zinc/05/64/08/950056408.db2.gz HZZGTEXBUPLLGI-LKSINWNRSA-N 0 3 386.460 0.298 20 0 GCADHN CC(C)C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151425 950074409 /nfs/dbraw/zinc/07/44/09/950074409.db2.gz QZUBLRVFHKZELF-KGLIPLIRSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151426 950075664 /nfs/dbraw/zinc/07/56/64/950075664.db2.gz QZUBLRVFHKZELF-UONOGXRCSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576182983 950077707 /nfs/dbraw/zinc/07/77/07/950077707.db2.gz OFQZIQWXQPBWSE-CYBMUJFWSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1cncn1 ZINC001574151604 950089130 /nfs/dbraw/zinc/08/91/30/950089130.db2.gz WCVIPYSYYYFKEN-INIZCTEOSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1cncn1 ZINC001574151604 950089153 /nfs/dbraw/zinc/08/91/53/950089153.db2.gz WCVIPYSYYYFKEN-INIZCTEOSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1COC(=O)N1 ZINC001574151858 950095821 /nfs/dbraw/zinc/09/58/21/950095821.db2.gz ZNKKNBPUYYQYEF-HUUCEWRRSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1COC(=O)N1 ZINC001574151858 950095840 /nfs/dbraw/zinc/09/58/40/950095840.db2.gz ZNKKNBPUYYQYEF-HUUCEWRRSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574733202 950099552 /nfs/dbraw/zinc/09/95/52/950099552.db2.gz VMZGRZNOQPSNIR-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574152358 950100087 /nfs/dbraw/zinc/10/00/87/950100087.db2.gz AOSTUSDUSMVQLJ-HOTGVXAUSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574152358 950100107 /nfs/dbraw/zinc/10/01/07/950100107.db2.gz AOSTUSDUSMVQLJ-HOTGVXAUSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(N)=O ZINC001574152609 950111910 /nfs/dbraw/zinc/11/19/10/950111910.db2.gz HKHWICQGMGISJW-GXTWGEPZSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(N)=O ZINC001574152609 950111922 /nfs/dbraw/zinc/11/19/22/950111922.db2.gz HKHWICQGMGISJW-GXTWGEPZSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1cn(C)nn1 ZINC001574152576 950112258 /nfs/dbraw/zinc/11/22/58/950112258.db2.gz GMLZPMXQSIVTGY-CQSZACIVSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1cn(C)nn1 ZINC001574152576 950112268 /nfs/dbraw/zinc/11/22/68/950112268.db2.gz GMLZPMXQSIVTGY-CQSZACIVSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1cn(C)nn1 ZINC001574152575 950113658 /nfs/dbraw/zinc/11/36/58/950113658.db2.gz GMLZPMXQSIVTGY-AWEZNQCLSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1cn(C)nn1 ZINC001574152575 950113665 /nfs/dbraw/zinc/11/36/65/950113665.db2.gz GMLZPMXQSIVTGY-AWEZNQCLSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574152598 950113681 /nfs/dbraw/zinc/11/36/81/950113681.db2.gz HECDDUUILUTZHS-ZBFHGGJFSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574152598 950113695 /nfs/dbraw/zinc/11/36/95/950113695.db2.gz HECDDUUILUTZHS-ZBFHGGJFSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001574977123 950114365 /nfs/dbraw/zinc/11/43/65/950114365.db2.gz HOQDCICSRMQQSR-XHDPSFHLSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001574977123 950114379 /nfs/dbraw/zinc/11/43/79/950114379.db2.gz HOQDCICSRMQQSR-XHDPSFHLSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574734402 950131395 /nfs/dbraw/zinc/13/13/95/950131395.db2.gz LUBBRLUSQRYLKG-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574734402 950131406 /nfs/dbraw/zinc/13/14/06/950131406.db2.gz LUBBRLUSQRYLKG-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C1(C(N)=O)CC1 ZINC001574153249 950135419 /nfs/dbraw/zinc/13/54/19/950135419.db2.gz PYPIUOFRJKJRQL-CQSZACIVSA-N 0 3 385.472 0.753 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C1(C(N)=O)CC1 ZINC001574153249 950135434 /nfs/dbraw/zinc/13/54/34/950135434.db2.gz PYPIUOFRJKJRQL-CQSZACIVSA-N 0 3 385.472 0.753 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)Cn1cnnn1 ZINC001574153337 950139050 /nfs/dbraw/zinc/13/90/50/950139050.db2.gz SACIAWBTKLPZDI-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)Cn1cnnn1 ZINC001574153337 950139056 /nfs/dbraw/zinc/13/90/56/950139056.db2.gz SACIAWBTKLPZDI-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)Cn1cnnn1 ZINC001574153336 950139352 /nfs/dbraw/zinc/13/93/52/950139352.db2.gz SACIAWBTKLPZDI-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)Cn1cnnn1 ZINC001574153336 950139361 /nfs/dbraw/zinc/13/93/61/950139361.db2.gz SACIAWBTKLPZDI-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001574979168 950148703 /nfs/dbraw/zinc/14/87/03/950148703.db2.gz WYKRWLPHPZRLCU-XJKSGUPXSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001574979168 950148716 /nfs/dbraw/zinc/14/87/16/950148716.db2.gz WYKRWLPHPZRLCU-XJKSGUPXSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576190388 950160469 /nfs/dbraw/zinc/16/04/69/950160469.db2.gz ARGUYYXPTWKKGM-GXTWGEPZSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576190388 950160489 /nfs/dbraw/zinc/16/04/89/950160489.db2.gz ARGUYYXPTWKKGM-GXTWGEPZSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574738524 950172296 /nfs/dbraw/zinc/17/22/96/950172296.db2.gz GIZSOEDNFDTTHB-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574982784 950183878 /nfs/dbraw/zinc/18/38/78/950183878.db2.gz GWMAQTRZJZKTKT-VIFPVBQESA-N 0 3 386.391 0.341 20 0 GCADHN C[C@H](CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)NC(N)=O ZINC001574494823 950184418 /nfs/dbraw/zinc/18/44/18/950184418.db2.gz OYGATAGRGZZBMD-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)NC(N)=O ZINC001574494823 950184431 /nfs/dbraw/zinc/18/44/31/950184431.db2.gz OYGATAGRGZZBMD-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+][C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573844585 950196116 /nfs/dbraw/zinc/19/61/16/950196116.db2.gz CDYLXBSMKAUDLH-AWEZNQCLSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576191425 950197783 /nfs/dbraw/zinc/19/77/83/950197783.db2.gz HUVKGUQSBWJGNL-DGCLKSJQSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576191425 950197807 /nfs/dbraw/zinc/19/78/07/950197807.db2.gz HUVKGUQSBWJGNL-DGCLKSJQSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1CNCc1cn(C)nn1 ZINC001576191461 950197977 /nfs/dbraw/zinc/19/79/77/950197977.db2.gz HZMUSMFACWCOSE-YPMHNXCESA-N 0 3 384.448 0.211 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574739651 950202454 /nfs/dbraw/zinc/20/24/54/950202454.db2.gz UUTCVSBJNCWFOJ-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN CC(C)(C)CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573844911 950209350 /nfs/dbraw/zinc/20/93/50/950209350.db2.gz NHQPAGVJOYBSRZ-JOCQHMNTSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001576191987 950220126 /nfs/dbraw/zinc/22/01/26/950220126.db2.gz KYFATSZZCCKHLT-UKRRQHHQSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001576191987 950220147 /nfs/dbraw/zinc/22/01/47/950220147.db2.gz KYFATSZZCCKHLT-UKRRQHHQSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@H]1[C@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575901155 950219936 /nfs/dbraw/zinc/21/99/36/950219936.db2.gz LTPCKYBUHOTDBQ-GXFFZTMASA-N 0 3 389.851 0.938 20 0 GCADHN C[C@H]1[C@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901155 950219954 /nfs/dbraw/zinc/21/99/54/950219954.db2.gz LTPCKYBUHOTDBQ-GXFFZTMASA-N 0 3 389.851 0.938 20 0 GCADHN C[C@@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnn(C)n1 ZINC001575901136 950220482 /nfs/dbraw/zinc/22/04/82/950220482.db2.gz LPZNOUNTHGSYAI-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnn(C)n1 ZINC001575901135 950220921 /nfs/dbraw/zinc/22/09/21/950220921.db2.gz LPZNOUNTHGSYAI-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576192139 950228150 /nfs/dbraw/zinc/22/81/50/950228150.db2.gz LXKMKVUPIOJNKR-OLZOCXBDSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@H]1[C@@H]([NH2+]CC(=O)NCC2CCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575901447 950235513 /nfs/dbraw/zinc/23/55/13/950235513.db2.gz NPMPSVWHWFCWKR-FZMZJTMJSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)Cn1ccnc1 ZINC001575901844 950240095 /nfs/dbraw/zinc/24/00/95/950240095.db2.gz QQQYPLUQNMJNTK-MLGOLLRUSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)Cn1ccnc1 ZINC001575901844 950240115 /nfs/dbraw/zinc/24/01/15/950240115.db2.gz QQQYPLUQNMJNTK-MLGOLLRUSA-N 0 3 384.419 0.982 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574741546 950242659 /nfs/dbraw/zinc/24/26/59/950242659.db2.gz JCPDXJNWYUPAGV-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574741546 950242678 /nfs/dbraw/zinc/24/26/78/950242678.db2.gz JCPDXJNWYUPAGV-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575901824 950243038 /nfs/dbraw/zinc/24/30/38/950243038.db2.gz QICQYJXHCULZJY-OCCSQVGLSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576192398 950243400 /nfs/dbraw/zinc/24/34/00/950243400.db2.gz NRTXOFOOOJBYQQ-OLZOCXBDSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576192398 950243424 /nfs/dbraw/zinc/24/34/24/950243424.db2.gz NRTXOFOOOJBYQQ-OLZOCXBDSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574983811 950244144 /nfs/dbraw/zinc/24/41/44/950244144.db2.gz SBZDITCJKCZDNY-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574983811 950244163 /nfs/dbraw/zinc/24/41/63/950244163.db2.gz SBZDITCJKCZDNY-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574983811 950244180 /nfs/dbraw/zinc/24/41/80/950244180.db2.gz SBZDITCJKCZDNY-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574983811 950244200 /nfs/dbraw/zinc/24/42/00/950244200.db2.gz SBZDITCJKCZDNY-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576192465 950245637 /nfs/dbraw/zinc/24/56/37/950245637.db2.gz NFUMBCHJJFQEHE-CYBMUJFWSA-N 0 3 388.476 0.457 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576192465 950245654 /nfs/dbraw/zinc/24/56/54/950245654.db2.gz NFUMBCHJJFQEHE-CYBMUJFWSA-N 0 3 388.476 0.457 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573846410 950251845 /nfs/dbraw/zinc/25/18/45/950251845.db2.gz QXAGQEVDTQDEQH-AULYBMBSSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1ccnc1 ZINC001574497906 950252109 /nfs/dbraw/zinc/25/21/09/950252109.db2.gz GABLOHOHZZNJEV-VXGBXAGGSA-N 0 3 390.473 0.343 20 0 GCADHN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1ccnc1 ZINC001574497906 950252124 /nfs/dbraw/zinc/25/21/24/950252124.db2.gz GABLOHOHZZNJEV-VXGBXAGGSA-N 0 3 390.473 0.343 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574742002 950256820 /nfs/dbraw/zinc/25/68/20/950256820.db2.gz FPROQFLCIDWLHJ-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574742002 950256839 /nfs/dbraw/zinc/25/68/39/950256839.db2.gz FPROQFLCIDWLHJ-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cn(C)nn1 ZINC001575902443 950258089 /nfs/dbraw/zinc/25/80/89/950258089.db2.gz UYQSWIKQKJUUJX-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575902468 950259267 /nfs/dbraw/zinc/25/92/67/950259267.db2.gz VMALLISYQRFORL-ZYHUDNBSSA-N 0 3 389.851 0.938 20 0 GCADHN C[C@@H]1[C@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575902468 950259286 /nfs/dbraw/zinc/25/92/86/950259286.db2.gz VMALLISYQRFORL-ZYHUDNBSSA-N 0 3 389.851 0.938 20 0 GCADHN C[C@H]1[C@H]([NH2+]CC(=O)N(C)CC2CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575902636 950261502 /nfs/dbraw/zinc/26/15/02/950261502.db2.gz WCFHRMBORIKWRO-SMDDNHRTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001576192811 950267282 /nfs/dbraw/zinc/26/72/82/950267282.db2.gz PJTWATGAWISNJY-ZDUSSCGKSA-N 0 3 387.463 0.990 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001576192811 950267301 /nfs/dbraw/zinc/26/73/01/950267301.db2.gz PJTWATGAWISNJY-ZDUSSCGKSA-N 0 3 387.463 0.990 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001576192891 950272713 /nfs/dbraw/zinc/27/27/13/950272713.db2.gz REPVHMDYYIKECG-YPMHNXCESA-N 0 3 384.448 0.211 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001576192891 950272733 /nfs/dbraw/zinc/27/27/33/950272733.db2.gz REPVHMDYYIKECG-YPMHNXCESA-N 0 3 384.448 0.211 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575903265 950276068 /nfs/dbraw/zinc/27/60/68/950276068.db2.gz ZFFLYDSIOINMJG-AUMBKBSLSA-N 0 3 386.431 0.977 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575903265 950276083 /nfs/dbraw/zinc/27/60/83/950276083.db2.gz ZFFLYDSIOINMJG-AUMBKBSLSA-N 0 3 386.431 0.977 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573850899 950282665 /nfs/dbraw/zinc/28/26/65/950282665.db2.gz OAIADDQUYPCDBV-DGCLKSJQSA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573850899 950282686 /nfs/dbraw/zinc/28/26/86/950282686.db2.gz OAIADDQUYPCDBV-DGCLKSJQSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574742398 950282689 /nfs/dbraw/zinc/28/26/89/950282689.db2.gz KLJBTFGQLHTMRT-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574742398 950282711 /nfs/dbraw/zinc/28/27/11/950282711.db2.gz KLJBTFGQLHTMRT-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573851147 950290469 /nfs/dbraw/zinc/29/04/69/950290469.db2.gz SRKOBMNBGZIWSF-NWDGAFQWSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cccn1 ZINC001575905701 950299573 /nfs/dbraw/zinc/29/95/73/950299573.db2.gz DKKROFGCISFSPS-BLLLJJGKSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cccn1 ZINC001575905701 950299591 /nfs/dbraw/zinc/29/95/91/950299591.db2.gz DKKROFGCISFSPS-BLLLJJGKSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575906018 950301995 /nfs/dbraw/zinc/30/19/95/950301995.db2.gz FYXZDYGBIIGKAU-LVPNJAMISA-N 0 3 386.431 0.977 20 0 GCADHN C[C@@]1(C(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCS1(=O)=O ZINC001575593304 950311886 /nfs/dbraw/zinc/31/18/86/950311886.db2.gz NIUYDRBXQYZSJC-KRWDZBQOSA-N 0 3 392.485 0.430 20 0 GCADHN C[C@@]1(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCS1(=O)=O ZINC001575593304 950311907 /nfs/dbraw/zinc/31/19/07/950311907.db2.gz NIUYDRBXQYZSJC-KRWDZBQOSA-N 0 3 392.485 0.430 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCCC(N)=O ZINC001575906570 950314618 /nfs/dbraw/zinc/31/46/18/950314618.db2.gz JHFOHYHFNQVUQL-XHDPSFHLSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574501282 950327888 /nfs/dbraw/zinc/32/78/88/950327888.db2.gz CKZWCDMIWBDZBS-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574501282 950327908 /nfs/dbraw/zinc/32/79/08/950327908.db2.gz CKZWCDMIWBDZBS-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574501282 950327924 /nfs/dbraw/zinc/32/79/24/950327924.db2.gz CKZWCDMIWBDZBS-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574501282 950327952 /nfs/dbraw/zinc/32/79/52/950327952.db2.gz CKZWCDMIWBDZBS-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575907805 950342713 /nfs/dbraw/zinc/34/27/13/950342713.db2.gz QYDLTBSBTZNCQT-IAQYHMDHSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575907805 950342732 /nfs/dbraw/zinc/34/27/32/950342732.db2.gz QYDLTBSBTZNCQT-IAQYHMDHSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574988823 950347585 /nfs/dbraw/zinc/34/75/85/950347585.db2.gz VQSQKXAKWUNZBL-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574988823 950347606 /nfs/dbraw/zinc/34/76/06/950347606.db2.gz VQSQKXAKWUNZBL-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cnn(C)n1 ZINC001575907982 950348973 /nfs/dbraw/zinc/34/89/73/950348973.db2.gz SEIVPSMXLDKIOJ-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574744604 950357841 /nfs/dbraw/zinc/35/78/41/950357841.db2.gz ZVVUIDLRWQLTHP-BIMULSAOSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574989486 950364558 /nfs/dbraw/zinc/36/45/58/950364558.db2.gz ZTALVPZIRPMUMD-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574989486 950364578 /nfs/dbraw/zinc/36/45/78/950364578.db2.gz ZTALVPZIRPMUMD-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574989486 950364600 /nfs/dbraw/zinc/36/46/00/950364600.db2.gz ZTALVPZIRPMUMD-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574989486 950364618 /nfs/dbraw/zinc/36/46/18/950364618.db2.gz ZTALVPZIRPMUMD-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001574744772 950364702 /nfs/dbraw/zinc/36/47/02/950364702.db2.gz AVDKAWNRHIDYKA-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001574744772 950364721 /nfs/dbraw/zinc/36/47/21/950364721.db2.gz AVDKAWNRHIDYKA-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)C1 ZINC001576196663 950366571 /nfs/dbraw/zinc/36/65/71/950366571.db2.gz FPVLUUHSIAAVCN-TZMCWYRMSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)C1 ZINC001576196663 950366597 /nfs/dbraw/zinc/36/65/97/950366597.db2.gz FPVLUUHSIAAVCN-TZMCWYRMSA-N 0 3 385.476 0.647 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573855276 950368037 /nfs/dbraw/zinc/36/80/37/950368037.db2.gz ORJISGJFUMSYTN-NEPJUHHUSA-N 0 3 388.476 0.740 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ccnc1 ZINC001575908591 950369181 /nfs/dbraw/zinc/36/91/81/950369181.db2.gz VOTAGXNWVMMFEG-WBMJQRKESA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ccnc1 ZINC001575908591 950369202 /nfs/dbraw/zinc/36/92/02/950369202.db2.gz VOTAGXNWVMMFEG-WBMJQRKESA-N 0 3 384.419 0.982 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573855277 950369705 /nfs/dbraw/zinc/36/97/05/950369705.db2.gz ORJISGJFUMSYTN-NWDGAFQWSA-N 0 3 388.476 0.740 20 0 GCADHN CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574745711 950384608 /nfs/dbraw/zinc/38/46/08/950384608.db2.gz JSFWVABJRBGYDS-NEPJUHHUSA-N 0 3 376.465 0.500 20 0 GCADHN CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574745720 950388577 /nfs/dbraw/zinc/38/85/77/950388577.db2.gz JSFWVABJRBGYDS-VXGBXAGGSA-N 0 3 376.465 0.500 20 0 GCADHN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574991146 950390244 /nfs/dbraw/zinc/39/02/44/950390244.db2.gz HOFCHSHRMYMDQJ-LBPRGKRZSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574991146 950390265 /nfs/dbraw/zinc/39/02/65/950390265.db2.gz HOFCHSHRMYMDQJ-LBPRGKRZSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575909291 950390449 /nfs/dbraw/zinc/39/04/49/950390449.db2.gz YPESPMMZPBHQNX-BLLLJJGKSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575909291 950390472 /nfs/dbraw/zinc/39/04/72/950390472.db2.gz YPESPMMZPBHQNX-BLLLJJGKSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001575909562 950399476 /nfs/dbraw/zinc/39/94/76/950399476.db2.gz ZFSBWFSANVLNAI-GXSJLCMTSA-N 0 3 388.457 0.760 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503364 950406804 /nfs/dbraw/zinc/40/68/04/950406804.db2.gz UTIXYDWQPCMVIR-OLZOCXBDSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503364 950406817 /nfs/dbraw/zinc/40/68/17/950406817.db2.gz UTIXYDWQPCMVIR-OLZOCXBDSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503364 950406829 /nfs/dbraw/zinc/40/68/29/950406829.db2.gz UTIXYDWQPCMVIR-OLZOCXBDSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503364 950406839 /nfs/dbraw/zinc/40/68/39/950406839.db2.gz UTIXYDWQPCMVIR-OLZOCXBDSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576198466 950408582 /nfs/dbraw/zinc/40/85/82/950408582.db2.gz TUBZRSFXZSUSSA-UONOGXRCSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)C1 ZINC001576198399 950409024 /nfs/dbraw/zinc/40/90/24/950409024.db2.gz SICNYFMHJVMCAX-LBPRGKRZSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)C1 ZINC001576198399 950409040 /nfs/dbraw/zinc/40/90/40/950409040.db2.gz SICNYFMHJVMCAX-LBPRGKRZSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575910448 950422280 /nfs/dbraw/zinc/42/22/80/950422280.db2.gz LBPHHMYANGBZMG-AAEUAGOBSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575910448 950422290 /nfs/dbraw/zinc/42/22/90/950422290.db2.gz LBPHHMYANGBZMG-AAEUAGOBSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576199306 950424965 /nfs/dbraw/zinc/42/49/65/950424965.db2.gz YHHIXYGIIWDJGS-UONOGXRCSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576199306 950424971 /nfs/dbraw/zinc/42/49/71/950424971.db2.gz YHHIXYGIIWDJGS-UONOGXRCSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574506092 950426899 /nfs/dbraw/zinc/42/68/99/950426899.db2.gz BEMQHKAETYSOJV-UXIGCNINSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574506092 950426911 /nfs/dbraw/zinc/42/69/11/950426911.db2.gz BEMQHKAETYSOJV-UXIGCNINSA-N 0 3 386.460 0.298 20 0 GCADHN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574992120 950435119 /nfs/dbraw/zinc/43/51/19/950435119.db2.gz XMUDKKUNAAJZSY-DOMZBBRYSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574992120 950435127 /nfs/dbraw/zinc/43/51/27/950435127.db2.gz XMUDKKUNAAJZSY-DOMZBBRYSA-N 0 3 388.476 0.692 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576203275 950443295 /nfs/dbraw/zinc/44/32/95/950443295.db2.gz GEWBJTXWQIRJCS-KZULUSFZSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576203275 950443302 /nfs/dbraw/zinc/44/33/02/950443302.db2.gz GEWBJTXWQIRJCS-KZULUSFZSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001574992389 950445157 /nfs/dbraw/zinc/44/51/57/950445157.db2.gz BFDFNAZJUCBBGJ-NHYWBVRUSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001574992389 950445176 /nfs/dbraw/zinc/44/51/76/950445176.db2.gz BFDFNAZJUCBBGJ-NHYWBVRUSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575912197 950461091 /nfs/dbraw/zinc/46/10/91/950461091.db2.gz QJPDFECVIKJZQQ-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575912197 950461099 /nfs/dbraw/zinc/46/10/99/950461099.db2.gz QJPDFECVIKJZQQ-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001574507920 950465012 /nfs/dbraw/zinc/46/50/12/950465012.db2.gz KVCXIKZTMHUILZ-UWVGGRQHSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001574507920 950465031 /nfs/dbraw/zinc/46/50/31/950465031.db2.gz KVCXIKZTMHUILZ-UWVGGRQHSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576204617 950470414 /nfs/dbraw/zinc/47/04/14/950470414.db2.gz QPHJQLJCKWOZIA-IYXRBSQSSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576204617 950470426 /nfs/dbraw/zinc/47/04/26/950470426.db2.gz QPHJQLJCKWOZIA-IYXRBSQSSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575912963 950474024 /nfs/dbraw/zinc/47/40/24/950474024.db2.gz RZNVNUCFZYFSIZ-XHDPSFHLSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575912963 950474035 /nfs/dbraw/zinc/47/40/35/950474035.db2.gz RZNVNUCFZYFSIZ-XHDPSFHLSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575912961 950474286 /nfs/dbraw/zinc/47/42/86/950474286.db2.gz RZNVNUCFZYFSIZ-NHYWBVRUSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575912961 950474299 /nfs/dbraw/zinc/47/42/99/950474299.db2.gz RZNVNUCFZYFSIZ-NHYWBVRUSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574752341 950482452 /nfs/dbraw/zinc/48/24/52/950482452.db2.gz BCHQCZLJRUXWDJ-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574752341 950482466 /nfs/dbraw/zinc/48/24/66/950482466.db2.gz BCHQCZLJRUXWDJ-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574752342 950482856 /nfs/dbraw/zinc/48/28/56/950482856.db2.gz BCHQCZLJRUXWDJ-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574752342 950482869 /nfs/dbraw/zinc/48/28/69/950482869.db2.gz BCHQCZLJRUXWDJ-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574752704 950493856 /nfs/dbraw/zinc/49/38/56/950493856.db2.gz FHZMSHMZTBHJQZ-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574752704 950493863 /nfs/dbraw/zinc/49/38/63/950493863.db2.gz FHZMSHMZTBHJQZ-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574995682 950516274 /nfs/dbraw/zinc/51/62/74/950516274.db2.gz GRMJRLVLQUITNT-SNVBAGLBSA-N 0 3 386.391 0.008 20 0 GCADHN CC(C)(C)OCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573866940 950518317 /nfs/dbraw/zinc/51/83/17/950518317.db2.gz ODAIHPIKOVJDSB-INIZCTEOSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575609244 950522941 /nfs/dbraw/zinc/52/29/41/950522941.db2.gz WWEKTRRPPSNSNV-KSMMKXTCSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575609244 950522954 /nfs/dbraw/zinc/52/29/54/950522954.db2.gz WWEKTRRPPSNSNV-KSMMKXTCSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cnnn1 ZINC001575915948 950523617 /nfs/dbraw/zinc/52/36/17/950523617.db2.gz YJGPQDYTSYZPGQ-IUODEOHRSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cnnn1 ZINC001575915948 950523640 /nfs/dbraw/zinc/52/36/40/950523640.db2.gz YJGPQDYTSYZPGQ-IUODEOHRSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575915933 950526530 /nfs/dbraw/zinc/52/65/30/950526530.db2.gz YEHNYHDWWWVUNQ-MLGOLLRUSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575915933 950526544 /nfs/dbraw/zinc/52/65/44/950526544.db2.gz YEHNYHDWWWVUNQ-MLGOLLRUSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@H](CN(C)C(=O)c1cccc(=O)n1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574753828 950546325 /nfs/dbraw/zinc/54/63/25/950546325.db2.gz SZXKKNHZQOMYJE-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1cccc(=O)n1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574753828 950546343 /nfs/dbraw/zinc/54/63/43/950546343.db2.gz SZXKKNHZQOMYJE-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576205964 950549006 /nfs/dbraw/zinc/54/90/06/950549006.db2.gz RVZCRRAWSIOWLG-ZDUSSCGKSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576205964 950549020 /nfs/dbraw/zinc/54/90/20/950549020.db2.gz RVZCRRAWSIOWLG-ZDUSSCGKSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001574512827 950585699 /nfs/dbraw/zinc/58/56/99/950585699.db2.gz DJQHJUSQCXSFKP-VHSXEESVSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575000026 950587315 /nfs/dbraw/zinc/58/73/15/950587315.db2.gz OHSFQNWQFPYVDR-VIFPVBQESA-N 0 3 386.391 0.341 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576207381 950594378 /nfs/dbraw/zinc/59/43/78/950594378.db2.gz GQMGKUUWAXMEOZ-BHPKHCPMSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576207381 950594397 /nfs/dbraw/zinc/59/43/97/950594397.db2.gz GQMGKUUWAXMEOZ-BHPKHCPMSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576208679 950614497 /nfs/dbraw/zinc/61/44/97/950614497.db2.gz SEHLAENQPJPEBT-MELADBBJSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576208679 950614508 /nfs/dbraw/zinc/61/45/08/950614508.db2.gz SEHLAENQPJPEBT-MELADBBJSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574759075 950625645 /nfs/dbraw/zinc/62/56/45/950625645.db2.gz KPAPXUAQSWRXTP-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574515313 950627751 /nfs/dbraw/zinc/62/77/51/950627751.db2.gz COHXTBGNWQPRFA-YUSALJHKSA-N 0 3 390.423 0.190 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574515313 950627762 /nfs/dbraw/zinc/62/77/62/950627762.db2.gz COHXTBGNWQPRFA-YUSALJHKSA-N 0 3 390.423 0.190 20 0 GCADHN C[C@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574759074 950628549 /nfs/dbraw/zinc/62/85/49/950628549.db2.gz KPAPXUAQSWRXTP-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576213692 950642633 /nfs/dbraw/zinc/64/26/33/950642633.db2.gz GQMGKUUWAXMEOZ-XFMPKHEZSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576213692 950642647 /nfs/dbraw/zinc/64/26/47/950642647.db2.gz GQMGKUUWAXMEOZ-XFMPKHEZSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574519505 950680743 /nfs/dbraw/zinc/68/07/43/950680743.db2.gz DYULAYZPXNIWJZ-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574519505 950680756 /nfs/dbraw/zinc/68/07/56/950680756.db2.gz DYULAYZPXNIWJZ-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574760933 950689413 /nfs/dbraw/zinc/68/94/13/950689413.db2.gz OSVSXCZVEWFHDK-LBPRGKRZSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncn1C ZINC001575926774 950724495 /nfs/dbraw/zinc/72/44/95/950724495.db2.gz LVWSNIQFZGYPDG-DOMZBBRYSA-N 0 3 381.444 0.451 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008239 950743017 /nfs/dbraw/zinc/74/30/17/950743017.db2.gz CWPXTHHDRQIQHZ-IUODEOHRSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008239 950743029 /nfs/dbraw/zinc/74/30/29/950743029.db2.gz CWPXTHHDRQIQHZ-IUODEOHRSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574520881 950756305 /nfs/dbraw/zinc/75/63/05/950756305.db2.gz ASWCONNAPUAVKI-KGLIPLIRSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574520881 950756327 /nfs/dbraw/zinc/75/63/27/950756327.db2.gz ASWCONNAPUAVKI-KGLIPLIRSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574521029 950765865 /nfs/dbraw/zinc/76/58/65/950765865.db2.gz CMZUSUDLSZWLBN-NWDGAFQWSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001575009003 950768751 /nfs/dbraw/zinc/76/87/51/950768751.db2.gz LXTZBCOLHMXJEI-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001575009003 950768764 /nfs/dbraw/zinc/76/87/64/950768764.db2.gz LXTZBCOLHMXJEI-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)Cn1ncnn1 ZINC001574521100 950771232 /nfs/dbraw/zinc/77/12/32/950771232.db2.gz DCUBOWWRJPUERY-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)Cn1ncnn1 ZINC001574521100 950771244 /nfs/dbraw/zinc/77/12/44/950771244.db2.gz DCUBOWWRJPUERY-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CCn1ccnn1 ZINC001574523163 950810158 /nfs/dbraw/zinc/81/01/58/950810158.db2.gz MMFFWVVYBGTLBX-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CCn1ccnn1 ZINC001574523163 950810180 /nfs/dbraw/zinc/81/01/80/950810180.db2.gz MMFFWVVYBGTLBX-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)Cn1cnnn1 ZINC001574523408 950813796 /nfs/dbraw/zinc/81/37/96/950813796.db2.gz MYGPNQBTTLOSKV-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574766208 950815409 /nfs/dbraw/zinc/81/54/09/950815409.db2.gz LYLSZOQCKMKRRD-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[N@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766835 950829876 /nfs/dbraw/zinc/82/98/76/950829876.db2.gz LGWZLIJMUNXWTB-BDAKNGLRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766835 950829897 /nfs/dbraw/zinc/82/98/97/950829897.db2.gz LGWZLIJMUNXWTB-BDAKNGLRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574766851 950832213 /nfs/dbraw/zinc/83/22/13/950832213.db2.gz NFFOOUJOTUOWHV-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574766851 950832235 /nfs/dbraw/zinc/83/22/35/950832235.db2.gz NFFOOUJOTUOWHV-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CCn1cncn1 ZINC001574523847 950833152 /nfs/dbraw/zinc/83/31/52/950833152.db2.gz REHXVHFKXFZBHV-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CCn1cncn1 ZINC001574523847 950833167 /nfs/dbraw/zinc/83/31/67/950833167.db2.gz REHXVHFKXFZBHV-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CCn1cnnn1 ZINC001574523963 950841078 /nfs/dbraw/zinc/84/10/78/950841078.db2.gz SPKVNHXVIPOVOO-STQMWFEESA-N 0 3 384.448 0.316 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CCn1cnnn1 ZINC001574523963 950841093 /nfs/dbraw/zinc/84/10/93/950841093.db2.gz SPKVNHXVIPOVOO-STQMWFEESA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCn1ccnn1 ZINC001574523971 950845261 /nfs/dbraw/zinc/84/52/61/950845261.db2.gz SQXFABOAHZFAQO-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCn1ccnn1 ZINC001574523971 950845282 /nfs/dbraw/zinc/84/52/82/950845282.db2.gz SQXFABOAHZFAQO-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574524154 950847071 /nfs/dbraw/zinc/84/70/71/950847071.db2.gz UENULDPPEQYPML-NEPJUHHUSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574524154 950847093 /nfs/dbraw/zinc/84/70/93/950847093.db2.gz UENULDPPEQYPML-NEPJUHHUSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CCn1cncn1 ZINC001574524405 950856926 /nfs/dbraw/zinc/85/69/26/950856926.db2.gz WFTFVAGUWZMLDW-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CCn1cncn1 ZINC001574524405 950856948 /nfs/dbraw/zinc/85/69/48/950856948.db2.gz WFTFVAGUWZMLDW-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1CC[NH+](C)CC1 ZINC001574524664 950867289 /nfs/dbraw/zinc/86/72/89/950867289.db2.gz YFPZCXWDVHYNAV-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1CC[NH+](C)CC1 ZINC001574524664 950867302 /nfs/dbraw/zinc/86/73/02/950867302.db2.gz YFPZCXWDVHYNAV-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CN1CCCC1=O ZINC001574524871 950875364 /nfs/dbraw/zinc/87/53/64/950875364.db2.gz ZVVAZPIINIYFCM-ZIAGYGMSSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CN1CCCC1=O ZINC001574524871 950875379 /nfs/dbraw/zinc/87/53/79/950875379.db2.gz ZVVAZPIINIYFCM-ZIAGYGMSSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575935349 950876653 /nfs/dbraw/zinc/87/66/53/950876653.db2.gz VPGIVIVBFIJJOZ-FZMZJTMJSA-N 0 3 386.435 0.898 20 0 GCADHN C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575935349 950876667 /nfs/dbraw/zinc/87/66/67/950876667.db2.gz VPGIVIVBFIJJOZ-FZMZJTMJSA-N 0 3 386.435 0.898 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575015169 950924039 /nfs/dbraw/zinc/92/40/39/950924039.db2.gz NCBFIUWIQREFBN-OLZOCXBDSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575015169 950924059 /nfs/dbraw/zinc/92/40/59/950924059.db2.gz NCBFIUWIQREFBN-OLZOCXBDSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575015169 950924077 /nfs/dbraw/zinc/92/40/77/950924077.db2.gz NCBFIUWIQREFBN-OLZOCXBDSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575015169 950924092 /nfs/dbraw/zinc/92/40/92/950924092.db2.gz NCBFIUWIQREFBN-OLZOCXBDSA-N 0 3 388.476 0.692 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCC[NH+]1CCCCC1 ZINC001575015160 950925810 /nfs/dbraw/zinc/92/58/10/950925810.db2.gz MWYWGLQLIUOPIB-CYBMUJFWSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCC[NH+]1CCCCC1 ZINC001575015160 950925822 /nfs/dbraw/zinc/92/58/22/950925822.db2.gz MWYWGLQLIUOPIB-CYBMUJFWSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1nccnc1N ZINC001574529580 950955393 /nfs/dbraw/zinc/95/53/93/950955393.db2.gz REJFEMWENADBHK-RYUDHWBXSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1nccnc1N ZINC001574529580 950955414 /nfs/dbraw/zinc/95/54/14/950955414.db2.gz REJFEMWENADBHK-RYUDHWBXSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574529867 950964575 /nfs/dbraw/zinc/96/45/75/950964575.db2.gz ATIDYDDQJZGJOS-VXGBXAGGSA-N 0 3 382.428 0.637 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574529867 950964591 /nfs/dbraw/zinc/96/45/91/950964591.db2.gz ATIDYDDQJZGJOS-VXGBXAGGSA-N 0 3 382.428 0.637 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575017295 950984361 /nfs/dbraw/zinc/98/43/61/950984361.db2.gz CRQDYFPOEDWWBV-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575017295 950984376 /nfs/dbraw/zinc/98/43/76/950984376.db2.gz CRQDYFPOEDWWBV-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575017295 950984399 /nfs/dbraw/zinc/98/43/99/950984399.db2.gz CRQDYFPOEDWWBV-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575017295 950984414 /nfs/dbraw/zinc/98/44/14/950984414.db2.gz CRQDYFPOEDWWBV-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CC(=O)NCC(C)(C)C ZINC001574530670 950992186 /nfs/dbraw/zinc/99/21/86/950992186.db2.gz DHLJDTJOEQZINU-NEPJUHHUSA-N 0 3 390.492 0.844 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001575018334 951019680 /nfs/dbraw/zinc/01/96/80/951019680.db2.gz PKHFBISXPBXINZ-VXGBXAGGSA-N 0 3 383.412 0.743 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575019088 951035787 /nfs/dbraw/zinc/03/57/87/951035787.db2.gz RJSDFFWNIQCBAR-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575019088 951035801 /nfs/dbraw/zinc/03/58/01/951035801.db2.gz RJSDFFWNIQCBAR-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575024279 951098134 /nfs/dbraw/zinc/09/81/34/951098134.db2.gz ZJIQRNLKKXCDRZ-SECBINFHSA-N 0 3 387.375 0.606 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575024279 951098147 /nfs/dbraw/zinc/09/81/47/951098147.db2.gz ZJIQRNLKKXCDRZ-SECBINFHSA-N 0 3 387.375 0.606 20 0 GCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575026702 951145680 /nfs/dbraw/zinc/14/56/80/951145680.db2.gz MDYWWRFSKNIIHN-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575026702 951145687 /nfs/dbraw/zinc/14/56/87/951145687.db2.gz MDYWWRFSKNIIHN-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575034712 951253996 /nfs/dbraw/zinc/25/39/96/951253996.db2.gz CGFSFZWWVRYVQF-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575034712 951254008 /nfs/dbraw/zinc/25/40/08/951254008.db2.gz CGFSFZWWVRYVQF-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575036028 951288598 /nfs/dbraw/zinc/28/85/98/951288598.db2.gz OUMPDZYSJZBHLU-NSHDSACASA-N 0 3 392.423 0.664 20 0 GCADHN C[C@@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575040353 951339614 /nfs/dbraw/zinc/33/96/14/951339614.db2.gz VIQBTXGAJARANV-NSHDSACASA-N 0 3 383.412 0.396 20 0 GCADHN C[C@@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575040353 951339630 /nfs/dbraw/zinc/33/96/30/951339630.db2.gz VIQBTXGAJARANV-NSHDSACASA-N 0 3 383.412 0.396 20 0 GCADHN C[C@@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575046940 951450590 /nfs/dbraw/zinc/45/05/90/951450590.db2.gz VIVOJMCXGWBUHJ-LBPRGKRZSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575046940 951450597 /nfs/dbraw/zinc/45/05/97/951450597.db2.gz VIVOJMCXGWBUHJ-LBPRGKRZSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575059307 951539865 /nfs/dbraw/zinc/53/98/65/951539865.db2.gz ZDKAXUKESPOTNP-SECBINFHSA-N 0 3 387.375 0.606 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575059307 951539871 /nfs/dbraw/zinc/53/98/71/951539871.db2.gz ZDKAXUKESPOTNP-SECBINFHSA-N 0 3 387.375 0.606 20 0 GCADHN C[C@H](CNC(=O)c1nccn2ccnc12)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575067948 951627969 /nfs/dbraw/zinc/62/79/69/951627969.db2.gz STAKXVYIBFZSAM-GFCCVEGCSA-N 0 3 377.412 0.818 20 0 GCADHN C[C@H](CNC(=O)c1nccn2ccnc12)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575067948 951627973 /nfs/dbraw/zinc/62/79/73/951627973.db2.gz STAKXVYIBFZSAM-GFCCVEGCSA-N 0 3 377.412 0.818 20 0 GCADHN C[C@H](C[NH2+][C@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575068549 951634221 /nfs/dbraw/zinc/63/42/21/951634221.db2.gz AKPMGLDSHYJINA-YPMHNXCESA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@](C[NH2+]CC(=O)N1CCCC1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575068892 951637593 /nfs/dbraw/zinc/63/75/93/951637593.db2.gz DOQOLRRRFPTHIG-SFHVURJKSA-N 0 3 386.460 0.305 20 0 GCADHN CC(C)[C@H](C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575069559 951645506 /nfs/dbraw/zinc/64/55/06/951645506.db2.gz KKICANZUCWGGLJ-RYUDHWBXSA-N 0 3 376.465 0.311 20 0 GCADHN CC(C)[C@H](C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575069559 951645507 /nfs/dbraw/zinc/64/55/07/951645507.db2.gz KKICANZUCWGGLJ-RYUDHWBXSA-N 0 3 376.465 0.311 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001575070167 951649006 /nfs/dbraw/zinc/64/90/06/951649006.db2.gz OQJLHGRQAAXDLV-QWHCGFSZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001575070168 951649186 /nfs/dbraw/zinc/64/91/86/951649186.db2.gz OQJLHGRQAAXDLV-STQMWFEESA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](C[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575070912 951656057 /nfs/dbraw/zinc/65/60/57/951656057.db2.gz VRPXCRUSFVWYQO-BXUZGUMPSA-N 0 3 386.460 0.398 20 0 GCADHN C[C@@](C[NH2+]CC(=O)N1CCCC1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575070938 951656079 /nfs/dbraw/zinc/65/60/79/951656079.db2.gz WCOJQCYXWPEIBZ-SFHVURJKSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575077025 951658992 /nfs/dbraw/zinc/65/89/92/951658992.db2.gz AXYOVXIZVCNRIK-SCZZXKLOSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575077025 951658996 /nfs/dbraw/zinc/65/89/96/951658996.db2.gz AXYOVXIZVCNRIK-SCZZXKLOSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077047 951661105 /nfs/dbraw/zinc/66/11/05/951661105.db2.gz BBQZPTYYNWGLNX-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077047 951661109 /nfs/dbraw/zinc/66/11/09/951661109.db2.gz BBQZPTYYNWGLNX-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575077035 951661157 /nfs/dbraw/zinc/66/11/57/951661157.db2.gz AYXSWYFHTOUHMF-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575077035 951661161 /nfs/dbraw/zinc/66/11/61/951661161.db2.gz AYXSWYFHTOUHMF-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077227 951663753 /nfs/dbraw/zinc/66/37/53/951663753.db2.gz ATVJUGQXSCYGQM-XHDPSFHLSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077227 951663760 /nfs/dbraw/zinc/66/37/60/951663760.db2.gz ATVJUGQXSCYGQM-XHDPSFHLSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077255 951663784 /nfs/dbraw/zinc/66/37/84/951663784.db2.gz BGCZXZYMPWGSSG-VXGBXAGGSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077255 951663788 /nfs/dbraw/zinc/66/37/88/951663788.db2.gz BGCZXZYMPWGSSG-VXGBXAGGSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575077269 951665624 /nfs/dbraw/zinc/66/56/24/951665624.db2.gz BQCMRMBNDWFRSL-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NCc1ccco1 ZINC001575077987 951676197 /nfs/dbraw/zinc/67/61/97/951676197.db2.gz IWDLHYPOYURIPS-NSHDSACASA-N 0 3 386.416 0.060 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NCc1ccco1 ZINC001575077987 951676201 /nfs/dbraw/zinc/67/62/01/951676201.db2.gz IWDLHYPOYURIPS-NSHDSACASA-N 0 3 386.416 0.060 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CN1CCCC1=O ZINC001575078429 951680694 /nfs/dbraw/zinc/68/06/94/951680694.db2.gz LNGOVNNXBAMKTR-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078451 951681594 /nfs/dbraw/zinc/68/15/94/951681594.db2.gz LSCUSYXXZKHBCT-FZMZJTMJSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078451 951681600 /nfs/dbraw/zinc/68/16/00/951681600.db2.gz LSCUSYXXZKHBCT-FZMZJTMJSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1ccn(C)n1 ZINC001575078528 951682803 /nfs/dbraw/zinc/68/28/03/951682803.db2.gz MWSZKDILWVHQKT-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078516 951683202 /nfs/dbraw/zinc/68/32/02/951683202.db2.gz MTBZDHBVWOWLCW-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078516 951683206 /nfs/dbraw/zinc/68/32/06/951683206.db2.gz MTBZDHBVWOWLCW-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078682 951684091 /nfs/dbraw/zinc/68/40/91/951684091.db2.gz LKKYBPLFMLWPCV-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078683 951684150 /nfs/dbraw/zinc/68/41/50/951684150.db2.gz LKKYBPLFMLWPCV-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C)c1N ZINC001575078827 951684757 /nfs/dbraw/zinc/68/47/57/951684757.db2.gz AMEQHPSZVMIWBO-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C)c1N ZINC001575078827 951684759 /nfs/dbraw/zinc/68/47/59/951684759.db2.gz AMEQHPSZVMIWBO-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1nccnc1N ZINC001575078911 951685837 /nfs/dbraw/zinc/68/58/37/951685837.db2.gz BBRQYSRODGARIU-JTQLQIEISA-N 0 3 385.407 0.628 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1nccnc1N ZINC001575078911 951685842 /nfs/dbraw/zinc/68/58/42/951685842.db2.gz BBRQYSRODGARIU-JTQLQIEISA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1nccnc1N ZINC001575078915 951686087 /nfs/dbraw/zinc/68/60/87/951686087.db2.gz BBRQYSRODGARIU-SNVBAGLBSA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1nccnc1N ZINC001575078915 951686090 /nfs/dbraw/zinc/68/60/90/951686090.db2.gz BBRQYSRODGARIU-SNVBAGLBSA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575079033 951687395 /nfs/dbraw/zinc/68/73/95/951687395.db2.gz CJDCSEXHMRYSPL-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575079033 951687396 /nfs/dbraw/zinc/68/73/96/951687396.db2.gz CJDCSEXHMRYSPL-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079197 951689488 /nfs/dbraw/zinc/68/94/88/951689488.db2.gz MAVCMNIQVCEOKP-IAQYHMDHSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079197 951689491 /nfs/dbraw/zinc/68/94/91/951689491.db2.gz MAVCMNIQVCEOKP-IAQYHMDHSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079390 951691027 /nfs/dbraw/zinc/69/10/27/951691027.db2.gz DMEQDMSVGQDFPK-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079390 951691034 /nfs/dbraw/zinc/69/10/34/951691034.db2.gz DMEQDMSVGQDFPK-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575079437 951691918 /nfs/dbraw/zinc/69/19/18/951691918.db2.gz FBWZFUNFFVSUAC-ABAIWWIYSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575079437 951691920 /nfs/dbraw/zinc/69/19/20/951691920.db2.gz FBWZFUNFFVSUAC-ABAIWWIYSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](C[NH2+]CCn1cc(Cl)cn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575079711 951696158 /nfs/dbraw/zinc/69/61/58/951696158.db2.gz NWTGEHWFHGAEHQ-SNVBAGLBSA-N 0 3 377.840 0.795 20 0 GCADHN C[C@H](C[NH2+]CCn1cc(Cl)cn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575079711 951696163 /nfs/dbraw/zinc/69/61/63/951696163.db2.gz NWTGEHWFHGAEHQ-SNVBAGLBSA-N 0 3 377.840 0.795 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079885 951699425 /nfs/dbraw/zinc/69/94/25/951699425.db2.gz SFLMNVXLQVHGGO-WFASDCNBSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079885 951699428 /nfs/dbraw/zinc/69/94/28/951699428.db2.gz SFLMNVXLQVHGGO-WFASDCNBSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080014 951702298 /nfs/dbraw/zinc/70/22/98/951702298.db2.gz JHLDBSWQLYUGQN-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080014 951702304 /nfs/dbraw/zinc/70/23/04/951702304.db2.gz JHLDBSWQLYUGQN-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NCCC(C)(C)C ZINC001575080173 951706677 /nfs/dbraw/zinc/70/66/77/951706677.db2.gz PFPBYABVKPAVAZ-LBPRGKRZSA-N 0 3 390.492 0.703 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080381 951708643 /nfs/dbraw/zinc/70/86/43/951708643.db2.gz KLYUFAUEWQQCST-IAQYHMDHSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080381 951708649 /nfs/dbraw/zinc/70/86/49/951708649.db2.gz KLYUFAUEWQQCST-IAQYHMDHSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080752 951713903 /nfs/dbraw/zinc/71/39/03/951713903.db2.gz NLFOMKFVUFXIOG-JTQLQIEISA-N 0 3 385.407 0.534 20 0 GCADHN C[C@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080752 951713911 /nfs/dbraw/zinc/71/39/11/951713911.db2.gz NLFOMKFVUFXIOG-JTQLQIEISA-N 0 3 385.407 0.534 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080742 951714003 /nfs/dbraw/zinc/71/40/03/951714003.db2.gz ZAIYBIJJLPJLCE-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080742 951714013 /nfs/dbraw/zinc/71/40/13/951714013.db2.gz ZAIYBIJJLPJLCE-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080755 951714080 /nfs/dbraw/zinc/71/40/80/951714080.db2.gz NLFOMKFVUFXIOG-SNVBAGLBSA-N 0 3 385.407 0.534 20 0 GCADHN C[C@@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080755 951714087 /nfs/dbraw/zinc/71/40/87/951714087.db2.gz NLFOMKFVUFXIOG-SNVBAGLBSA-N 0 3 385.407 0.534 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575080792 951715814 /nfs/dbraw/zinc/71/58/14/951715814.db2.gz NQTQOKGVEAKHKY-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575080792 951715824 /nfs/dbraw/zinc/71/58/24/951715824.db2.gz NQTQOKGVEAKHKY-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C1=COCCO1 ZINC001575080902 951718786 /nfs/dbraw/zinc/71/87/86/951718786.db2.gz OICKJUHQRGLRGZ-LLVKDONJSA-N 0 3 376.392 0.831 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C1=COCCO1 ZINC001575080902 951718791 /nfs/dbraw/zinc/71/87/91/951718791.db2.gz OICKJUHQRGLRGZ-LLVKDONJSA-N 0 3 376.392 0.831 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575081765 951725865 /nfs/dbraw/zinc/72/58/65/951725865.db2.gz VGTAYJKKQXZTTM-BDAKNGLRSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575081765 951725871 /nfs/dbraw/zinc/72/58/71/951725871.db2.gz VGTAYJKKQXZTTM-BDAKNGLRSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575081768 951726260 /nfs/dbraw/zinc/72/62/60/951726260.db2.gz VGTAYJKKQXZTTM-IUCAKERBSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575081768 951726265 /nfs/dbraw/zinc/72/62/65/951726265.db2.gz VGTAYJKKQXZTTM-IUCAKERBSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575082416 951734792 /nfs/dbraw/zinc/73/47/92/951734792.db2.gz YIJSAKRTQADILS-GTNSWQLSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575082416 951734799 /nfs/dbraw/zinc/73/47/99/951734799.db2.gz YIJSAKRTQADILS-GTNSWQLSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082594 951735861 /nfs/dbraw/zinc/73/58/61/951735861.db2.gz XOGUGQKSHVGWGU-JTQLQIEISA-N 0 3 388.407 0.601 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082594 951735866 /nfs/dbraw/zinc/73/58/66/951735866.db2.gz XOGUGQKSHVGWGU-JTQLQIEISA-N 0 3 388.407 0.601 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088576 951741339 /nfs/dbraw/zinc/74/13/39/951741339.db2.gz BQPPMEQFEOTSFJ-HIFRSBDPSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088576 951741344 /nfs/dbraw/zinc/74/13/44/951741344.db2.gz BQPPMEQFEOTSFJ-HIFRSBDPSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089021 951746127 /nfs/dbraw/zinc/74/61/27/951746127.db2.gz CKQRPAGHSWEBDI-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089021 951746136 /nfs/dbraw/zinc/74/61/36/951746136.db2.gz CKQRPAGHSWEBDI-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089800 951754747 /nfs/dbraw/zinc/75/47/47/951754747.db2.gz IPKNZNICAHGEBZ-WFASDCNBSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089800 951754756 /nfs/dbraw/zinc/75/47/56/951754756.db2.gz IPKNZNICAHGEBZ-WFASDCNBSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090296 951760566 /nfs/dbraw/zinc/76/05/66/951760566.db2.gz KIPXXLGJGFSPHP-ZDUSSCGKSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090296 951760572 /nfs/dbraw/zinc/76/05/72/951760572.db2.gz KIPXXLGJGFSPHP-ZDUSSCGKSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090635 951762245 /nfs/dbraw/zinc/76/22/45/951762245.db2.gz KWMCFYDEOGUBGN-SWLSCSKDSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090635 951762254 /nfs/dbraw/zinc/76/22/54/951762254.db2.gz KWMCFYDEOGUBGN-SWLSCSKDSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575090725 951763703 /nfs/dbraw/zinc/76/37/03/951763703.db2.gz LLRYCHDBJVPRBU-LPHOPBHVSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575090725 951763708 /nfs/dbraw/zinc/76/37/08/951763708.db2.gz LLRYCHDBJVPRBU-LPHOPBHVSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091004 951767040 /nfs/dbraw/zinc/76/70/40/951767040.db2.gz OTXTVSWGDOEAPA-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091004 951767047 /nfs/dbraw/zinc/76/70/47/951767047.db2.gz OTXTVSWGDOEAPA-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091049 951768401 /nfs/dbraw/zinc/76/84/01/951768401.db2.gz NDPCIQUSPZUYNX-BBRMVZONSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091049 951768406 /nfs/dbraw/zinc/76/84/06/951768406.db2.gz NDPCIQUSPZUYNX-BBRMVZONSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575091216 951771484 /nfs/dbraw/zinc/77/14/84/951771484.db2.gz OKSVQABRXAQAIX-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575091205 951771703 /nfs/dbraw/zinc/77/17/03/951771703.db2.gz OKMQQAAINQBKCL-BEFAXECRSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575091205 951771709 /nfs/dbraw/zinc/77/17/09/951771709.db2.gz OKMQQAAINQBKCL-BEFAXECRSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1nccnc1N ZINC001575091258 951772401 /nfs/dbraw/zinc/77/24/01/951772401.db2.gz PHBFNCMUVRIMNC-SNVBAGLBSA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CCNC1=O ZINC001575091569 951778305 /nfs/dbraw/zinc/77/83/05/951778305.db2.gz SGLFKZGUUBISGC-ZWNOBZJWSA-N 0 3 375.408 0.078 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091709 951782190 /nfs/dbraw/zinc/78/21/90/951782190.db2.gz WNFZDDHTZOAMSA-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091709 951782196 /nfs/dbraw/zinc/78/21/96/951782196.db2.gz WNFZDDHTZOAMSA-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091703 951782781 /nfs/dbraw/zinc/78/27/81/951782781.db2.gz WKUOKAVYCXBMBE-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091703 951782786 /nfs/dbraw/zinc/78/27/86/951782786.db2.gz WKUOKAVYCXBMBE-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575091823 951783175 /nfs/dbraw/zinc/78/31/75/951783175.db2.gz VFCUQFRJAYBDLH-GOSISDBHSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575091823 951783185 /nfs/dbraw/zinc/78/31/85/951783185.db2.gz VFCUQFRJAYBDLH-GOSISDBHSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CCCn1cncn1 ZINC001575092167 951790415 /nfs/dbraw/zinc/79/04/15/951790415.db2.gz ANXYTOIKPGOWMX-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CCCn1cncn1 ZINC001575092167 951790425 /nfs/dbraw/zinc/79/04/25/951790425.db2.gz ANXYTOIKPGOWMX-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575092245 951791114 /nfs/dbraw/zinc/79/11/14/951791114.db2.gz BGYONVSEPXBOHD-MAZHCROVSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575092245 951791121 /nfs/dbraw/zinc/79/11/21/951791121.db2.gz BGYONVSEPXBOHD-MAZHCROVSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575092492 951792864 /nfs/dbraw/zinc/79/28/64/951792864.db2.gz CCXWLSBPQXBZJS-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575092492 951792869 /nfs/dbraw/zinc/79/28/69/951792869.db2.gz CCXWLSBPQXBZJS-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575092491 951793122 /nfs/dbraw/zinc/79/31/22/951793122.db2.gz CCXWLSBPQXBZJS-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575092491 951793131 /nfs/dbraw/zinc/79/31/31/951793131.db2.gz CCXWLSBPQXBZJS-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575093040 951795972 /nfs/dbraw/zinc/79/59/72/951795972.db2.gz HNUUGJWPPMKMHQ-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575093040 951795978 /nfs/dbraw/zinc/79/59/78/951795978.db2.gz HNUUGJWPPMKMHQ-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575093389 951799218 /nfs/dbraw/zinc/79/92/18/951799218.db2.gz ILJBIBBRKAWHJH-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575093389 951799226 /nfs/dbraw/zinc/79/92/26/951799226.db2.gz ILJBIBBRKAWHJH-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575093791 951800976 /nfs/dbraw/zinc/80/09/76/951800976.db2.gz KOMFTXSQHCRUJK-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575093791 951800979 /nfs/dbraw/zinc/80/09/79/951800979.db2.gz KOMFTXSQHCRUJK-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575094255 951802244 /nfs/dbraw/zinc/80/22/44/951802244.db2.gz MICQIPATKIESIF-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575094255 951802249 /nfs/dbraw/zinc/80/22/49/951802249.db2.gz MICQIPATKIESIF-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@]1(C)CCNC1=O ZINC001575101333 951857648 /nfs/dbraw/zinc/85/76/48/951857648.db2.gz BQXOGPJECQXOPC-VOJFVSQTSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@]1(C)CCNC1=O ZINC001575101333 951857651 /nfs/dbraw/zinc/85/76/51/951857651.db2.gz BQXOGPJECQXOPC-VOJFVSQTSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102386 951867279 /nfs/dbraw/zinc/86/72/79/951867279.db2.gz MKKQUCZTQDICSM-YPMHNXCESA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102386 951867286 /nfs/dbraw/zinc/86/72/86/951867286.db2.gz MKKQUCZTQDICSM-YPMHNXCESA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575104205 951884536 /nfs/dbraw/zinc/88/45/36/951884536.db2.gz YBLARDBTSSMGJK-OCCSQVGLSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575104205 951884548 /nfs/dbraw/zinc/88/45/48/951884548.db2.gz YBLARDBTSSMGJK-OCCSQVGLSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575104434 951885498 /nfs/dbraw/zinc/88/54/98/951885498.db2.gz CHYXJGDZLQMNHG-WCQGTBRESA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575104434 951885504 /nfs/dbraw/zinc/88/55/04/951885504.db2.gz CHYXJGDZLQMNHG-WCQGTBRESA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H](CNC(=O)CC1CS(=O)(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104840 951888510 /nfs/dbraw/zinc/88/85/10/951888510.db2.gz FEMVTVXKBKYFCR-LBPRGKRZSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@H](CNC(=O)CC1CS(=O)(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104840 951888511 /nfs/dbraw/zinc/88/85/11/951888511.db2.gz FEMVTVXKBKYFCR-LBPRGKRZSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104845 951888534 /nfs/dbraw/zinc/88/85/34/951888534.db2.gz FGLZMDYEQRXEPC-BFUOFWGJSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104845 951888537 /nfs/dbraw/zinc/88/85/37/951888537.db2.gz FGLZMDYEQRXEPC-BFUOFWGJSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnn(C)c1N ZINC001575105872 951900338 /nfs/dbraw/zinc/90/03/38/951900338.db2.gz OWVHRWWFSRZBCI-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnn(C)c1N ZINC001575105872 951900344 /nfs/dbraw/zinc/90/03/44/951900344.db2.gz OWVHRWWFSRZBCI-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575106572 951905077 /nfs/dbraw/zinc/90/50/77/951905077.db2.gz SHNUVARARXPOAE-RDTXWAMCSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575106572 951905083 /nfs/dbraw/zinc/90/50/83/951905083.db2.gz SHNUVARARXPOAE-RDTXWAMCSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575106605 951905796 /nfs/dbraw/zinc/90/57/96/951905796.db2.gz SUQLOILXQRWFBB-YPMHNXCESA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575106605 951905802 /nfs/dbraw/zinc/90/58/02/951905802.db2.gz SUQLOILXQRWFBB-YPMHNXCESA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106756 951907726 /nfs/dbraw/zinc/90/77/26/951907726.db2.gz UHGJQROJTJYECL-CQSZACIVSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106756 951907735 /nfs/dbraw/zinc/90/77/35/951907735.db2.gz UHGJQROJTJYECL-CQSZACIVSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575109208 951928148 /nfs/dbraw/zinc/92/81/48/951928148.db2.gz PISIWGMKLCPTNM-BJJXKVORSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575109208 951928151 /nfs/dbraw/zinc/92/81/51/951928151.db2.gz PISIWGMKLCPTNM-BJJXKVORSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108889 951928231 /nfs/dbraw/zinc/92/82/31/951928231.db2.gz OZGMVFIVBLWWDP-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108889 951928235 /nfs/dbraw/zinc/92/82/35/951928235.db2.gz OZGMVFIVBLWWDP-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575109228 951928751 /nfs/dbraw/zinc/92/87/51/951928751.db2.gz PYDJZLZZJRPIJK-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575109228 951928768 /nfs/dbraw/zinc/92/87/68/951928768.db2.gz PYDJZLZZJRPIJK-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575109533 951930384 /nfs/dbraw/zinc/93/03/84/951930384.db2.gz SCSCNRFVGDBHSQ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575109533 951930386 /nfs/dbraw/zinc/93/03/86/951930386.db2.gz SCSCNRFVGDBHSQ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575109581 951931568 /nfs/dbraw/zinc/93/15/68/951931568.db2.gz STLFFVXTZAGVBB-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575109581 951931574 /nfs/dbraw/zinc/93/15/74/951931574.db2.gz STLFFVXTZAGVBB-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575110038 951936978 /nfs/dbraw/zinc/93/69/78/951936978.db2.gz XIWYRTPRJXAZPL-LBPRGKRZSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575110038 951936986 /nfs/dbraw/zinc/93/69/86/951936986.db2.gz XIWYRTPRJXAZPL-LBPRGKRZSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113387 951939321 /nfs/dbraw/zinc/93/93/21/951939321.db2.gz AKYRSGXRBOPAIR-GFCCVEGCSA-N 0 3 382.428 0.611 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113387 951939324 /nfs/dbraw/zinc/93/93/24/951939324.db2.gz AKYRSGXRBOPAIR-GFCCVEGCSA-N 0 3 382.428 0.611 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113428 951941236 /nfs/dbraw/zinc/94/12/36/951941236.db2.gz BGEHDTNWMRQZSK-JSGCOSHPSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113428 951941240 /nfs/dbraw/zinc/94/12/40/951941240.db2.gz BGEHDTNWMRQZSK-JSGCOSHPSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575114097 951953078 /nfs/dbraw/zinc/95/30/78/951953078.db2.gz MPNULCCGUKETRH-QFBILLFUSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575114097 951953087 /nfs/dbraw/zinc/95/30/87/951953087.db2.gz MPNULCCGUKETRH-QFBILLFUSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114310 951957383 /nfs/dbraw/zinc/95/73/83/951957383.db2.gz OXBSFSLQQMBNHD-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114310 951957390 /nfs/dbraw/zinc/95/73/90/951957390.db2.gz OXBSFSLQQMBNHD-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114601 951959362 /nfs/dbraw/zinc/95/93/62/951959362.db2.gz QSWGAJHYKHRGKQ-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114601 951959371 /nfs/dbraw/zinc/95/93/71/951959371.db2.gz QSWGAJHYKHRGKQ-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115179 951961947 /nfs/dbraw/zinc/96/19/47/951961947.db2.gz VJYSKBRDJDLRDF-CYBMUJFWSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115179 951961956 /nfs/dbraw/zinc/96/19/56/951961956.db2.gz VJYSKBRDJDLRDF-CYBMUJFWSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115554 951967287 /nfs/dbraw/zinc/96/72/87/951967287.db2.gz YFEIAWMZVNYRAP-GFCCVEGCSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115554 951967292 /nfs/dbraw/zinc/96/72/92/951967292.db2.gz YFEIAWMZVNYRAP-GFCCVEGCSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575144078 952161582 /nfs/dbraw/zinc/16/15/82/952161582.db2.gz FZABYRQZNWUSKP-GOSISDBHSA-N 0 3 381.444 0.667 20 0 GCADHN C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575153629 952211146 /nfs/dbraw/zinc/21/11/46/952211146.db2.gz IWYIZXNYMUKAIL-LBPRGKRZSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575153629 952211151 /nfs/dbraw/zinc/21/11/51/952211151.db2.gz IWYIZXNYMUKAIL-LBPRGKRZSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575164038 952285327 /nfs/dbraw/zinc/28/53/27/952285327.db2.gz HIRBZEUHSPJTST-DMDPSCGWSA-N 0 3 376.440 1.000 20 0 GCADHN C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575164038 952285333 /nfs/dbraw/zinc/28/53/33/952285333.db2.gz HIRBZEUHSPJTST-DMDPSCGWSA-N 0 3 376.440 1.000 20 0 GCADHN C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575164038 952285342 /nfs/dbraw/zinc/28/53/42/952285342.db2.gz HIRBZEUHSPJTST-DMDPSCGWSA-N 0 3 376.440 1.000 20 0 GCADHN C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575164038 952285347 /nfs/dbraw/zinc/28/53/47/952285347.db2.gz HIRBZEUHSPJTST-DMDPSCGWSA-N 0 3 376.440 1.000 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575185379 952432712 /nfs/dbraw/zinc/43/27/12/952432712.db2.gz QNBBUKJKECZEKE-NWDGAFQWSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575185379 952432715 /nfs/dbraw/zinc/43/27/15/952432715.db2.gz QNBBUKJKECZEKE-NWDGAFQWSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001575207231 952533721 /nfs/dbraw/zinc/53/37/21/952533721.db2.gz PFDROKNAELJZAV-GFCCVEGCSA-N 0 3 396.459 0.012 20 0 GCADHN C[C@H](Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001575207231 952533724 /nfs/dbraw/zinc/53/37/24/952533724.db2.gz PFDROKNAELJZAV-GFCCVEGCSA-N 0 3 396.459 0.012 20 0 GCADHN CC[C@@H](C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)OC ZINC001571126957 952547764 /nfs/dbraw/zinc/54/77/64/952547764.db2.gz APXHXSSCGBLONS-KBPBESRZSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@@H](C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)OC ZINC001571126957 952547767 /nfs/dbraw/zinc/54/77/67/952547767.db2.gz APXHXSSCGBLONS-KBPBESRZSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@@H](C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)OC ZINC001571126957 952547770 /nfs/dbraw/zinc/54/77/70/952547770.db2.gz APXHXSSCGBLONS-KBPBESRZSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@@H](C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)OC ZINC001571126957 952547773 /nfs/dbraw/zinc/54/77/73/952547773.db2.gz APXHXSSCGBLONS-KBPBESRZSA-N 0 3 377.449 0.441 20 0 GCADHN O=C(CCc1ccncn1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571142509 952643044 /nfs/dbraw/zinc/64/30/44/952643044.db2.gz SRIJUDQRGRYTBT-QGZVFWFLSA-N 0 3 378.440 0.980 20 0 GCADHN O=C(Cn1ccnc1)N1CCC[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001571146561 952649851 /nfs/dbraw/zinc/64/98/51/952649851.db2.gz IQWNRDCUUDUUOW-XJKSGUPXSA-N 0 3 379.428 0.586 20 0 GCADHN Cc1nccn1CC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001571158092 952710158 /nfs/dbraw/zinc/71/01/58/952710158.db2.gz QTQGMUIVIDJFTL-HALDLXJZSA-N 0 3 379.428 0.326 20 0 GCADHN O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571160079 952723409 /nfs/dbraw/zinc/72/34/09/952723409.db2.gz DBWIJTNNAUUSCC-CQSZACIVSA-N 0 3 380.412 0.757 20 0 GCADHN O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571160079 952723412 /nfs/dbraw/zinc/72/34/12/952723412.db2.gz DBWIJTNNAUUSCC-CQSZACIVSA-N 0 3 380.412 0.757 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571160335 952724789 /nfs/dbraw/zinc/72/47/89/952724789.db2.gz HHVKNQYZCDBIBH-CQSZACIVSA-N 0 3 380.412 0.344 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571160335 952724793 /nfs/dbraw/zinc/72/47/93/952724793.db2.gz HHVKNQYZCDBIBH-CQSZACIVSA-N 0 3 380.412 0.344 20 0 GCADHN Cc1cc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2nc[nH]n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571162023 952737495 /nfs/dbraw/zinc/73/74/95/952737495.db2.gz IBBSRHHTVKJJBA-CHWSQXEVSA-N 0 3 380.416 0.572 20 0 GCADHN C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571166618 952762657 /nfs/dbraw/zinc/76/26/57/952762657.db2.gz NSVLWEQKPMJOFC-DYVFJYSZSA-N 0 3 380.456 0.779 20 0 GCADHN C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571166618 952762659 /nfs/dbraw/zinc/76/26/59/952762659.db2.gz NSVLWEQKPMJOFC-DYVFJYSZSA-N 0 3 380.456 0.779 20 0 GCADHN C[C@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571166622 952762864 /nfs/dbraw/zinc/76/28/64/952762864.db2.gz NSVLWEQKPMJOFC-GUYCJALGSA-N 0 3 380.456 0.779 20 0 GCADHN C[C@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571166622 952762869 /nfs/dbraw/zinc/76/28/69/952762869.db2.gz NSVLWEQKPMJOFC-GUYCJALGSA-N 0 3 380.456 0.779 20 0 GCADHN Cn1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001571179580 952854229 /nfs/dbraw/zinc/85/42/29/952854229.db2.gz FZWISNQLSRQJHO-KRWDZBQOSA-N 0 3 381.440 0.836 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC001571183009 952872206 /nfs/dbraw/zinc/87/22/06/952872206.db2.gz LYYYQZSPHBDSKQ-PXAZEXFGSA-N 0 3 381.440 0.937 20 0 GCADHN C[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001571183548 952879781 /nfs/dbraw/zinc/87/97/81/952879781.db2.gz DHIORQKTSNGMHM-HIFRSBDPSA-N 0 3 381.444 0.485 20 0 GCADHN C[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001571183548 952879783 /nfs/dbraw/zinc/87/97/83/952879783.db2.gz DHIORQKTSNGMHM-HIFRSBDPSA-N 0 3 381.444 0.485 20 0 GCADHN CCc1nc[nH]c1C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571183944 952885348 /nfs/dbraw/zinc/88/53/48/952885348.db2.gz NFRPFOPDHPRVLT-MEBBXXQBSA-N 0 3 381.444 0.850 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1cnn(C)n1 ZINC001571184012 952886812 /nfs/dbraw/zinc/88/68/12/952886812.db2.gz ONLBNHHPSMBUQJ-WFASDCNBSA-N 0 3 381.444 0.778 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1cnn(C)n1 ZINC001571184012 952886815 /nfs/dbraw/zinc/88/68/15/952886815.db2.gz ONLBNHHPSMBUQJ-WFASDCNBSA-N 0 3 381.444 0.778 20 0 GCADHN CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC001571184228 952889230 /nfs/dbraw/zinc/88/92/30/952889230.db2.gz UHARFIOWHMHLJD-UHFFFAOYSA-N 0 3 381.444 0.871 20 0 GCADHN CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC001571184228 952889233 /nfs/dbraw/zinc/88/92/33/952889233.db2.gz UHARFIOWHMHLJD-UHFFFAOYSA-N 0 3 381.444 0.871 20 0 GCADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571184289 952890987 /nfs/dbraw/zinc/89/09/87/952890987.db2.gz VMHLIYCCSQHRNE-TZMCWYRMSA-N 0 3 381.444 0.493 20 0 GCADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571184289 952890990 /nfs/dbraw/zinc/89/09/90/952890990.db2.gz VMHLIYCCSQHRNE-TZMCWYRMSA-N 0 3 381.444 0.493 20 0 GCADHN Cc1nnc(CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)[nH]1 ZINC001571188199 952912096 /nfs/dbraw/zinc/91/20/96/952912096.db2.gz IBEBQIPTKQZDEA-AWEZNQCLSA-N 0 3 381.444 0.474 20 0 GCADHN Cc1cc(NC[C@@H]2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188657 952917922 /nfs/dbraw/zinc/91/79/22/952917922.db2.gz MMUAGYXNVXKDBN-OLZOCXBDSA-N 0 3 381.444 0.655 20 0 GCADHN Cc1ncc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571189267 952926801 /nfs/dbraw/zinc/92/68/01/952926801.db2.gz OZNWFGSWFABVAD-RISCZKNCSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1ncc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571189267 952926802 /nfs/dbraw/zinc/92/68/02/952926802.db2.gz OZNWFGSWFABVAD-RISCZKNCSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1cncn1CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189333 952928190 /nfs/dbraw/zinc/92/81/90/952928190.db2.gz VELKMMOWNSHSMA-AWEZNQCLSA-N 0 3 381.444 0.458 20 0 GCADHN O=C(N[C@H]1CC12CC[NH+](CCn1cccn1)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571189408 952929763 /nfs/dbraw/zinc/92/97/63/952929763.db2.gz RBHQIDQKAZIQJN-HNNXBMFYSA-N 0 3 381.444 0.676 20 0 GCADHN O=C(N[C@H]1CC12CC[NH+](CCn1cccn1)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571189408 952929765 /nfs/dbraw/zinc/92/97/65/952929765.db2.gz RBHQIDQKAZIQJN-HNNXBMFYSA-N 0 3 381.444 0.676 20 0 GCADHN Cn1cncc1C[NH2+]C1CC2(CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571189679 952933640 /nfs/dbraw/zinc/93/36/40/952933640.db2.gz RIWMQRVHRILOIK-UHFFFAOYSA-N 0 3 381.444 0.759 20 0 GCADHN Cn1cnc(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C(C)(C)C2)n1 ZINC001571189882 952936752 /nfs/dbraw/zinc/93/67/52/952936752.db2.gz YHCWBNKSYWNDAW-CQSZACIVSA-N 0 3 381.444 0.636 20 0 GCADHN Cn1cnc(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C(C)(C)C2)n1 ZINC001571189882 952936765 /nfs/dbraw/zinc/93/67/65/952936765.db2.gz YHCWBNKSYWNDAW-CQSZACIVSA-N 0 3 381.444 0.636 20 0 GCADHN COc1c(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)cnn1C ZINC001571198502 952990783 /nfs/dbraw/zinc/99/07/83/952990783.db2.gz ADWHWVMLEMNIDV-CQSZACIVSA-N 0 3 382.428 0.613 20 0 GCADHN COc1c(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cnn1C ZINC001571198502 952990790 /nfs/dbraw/zinc/99/07/90/952990790.db2.gz ADWHWVMLEMNIDV-CQSZACIVSA-N 0 3 382.428 0.613 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001571200444 953008490 /nfs/dbraw/zinc/00/84/90/953008490.db2.gz ISHJUFWFQRWYJB-NHYWBVRUSA-N 0 3 382.428 0.144 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001571200444 953008494 /nfs/dbraw/zinc/00/84/94/953008494.db2.gz ISHJUFWFQRWYJB-NHYWBVRUSA-N 0 3 382.428 0.144 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1nnn(C)n1 ZINC001571205678 953041132 /nfs/dbraw/zinc/04/11/32/953041132.db2.gz MWRKJBCNPOKJIH-RISCZKNCSA-N 0 3 382.432 0.173 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1nnn(C)n1 ZINC001571205678 953041137 /nfs/dbraw/zinc/04/11/37/953041137.db2.gz MWRKJBCNPOKJIH-RISCZKNCSA-N 0 3 382.432 0.173 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CN1C(=O)CCn1cnnn1 ZINC001571205912 953043592 /nfs/dbraw/zinc/04/35/92/953043592.db2.gz NZNZTDAHXBLKBD-TZMCWYRMSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CN1C(=O)CCn1cnnn1 ZINC001571205912 953043596 /nfs/dbraw/zinc/04/35/96/953043596.db2.gz NZNZTDAHXBLKBD-TZMCWYRMSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CN1C(=O)CCn1cnnn1 ZINC001571205910 953043777 /nfs/dbraw/zinc/04/37/77/953043777.db2.gz NZNZTDAHXBLKBD-JSGCOSHPSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CN1C(=O)CCn1cnnn1 ZINC001571205910 953043780 /nfs/dbraw/zinc/04/37/80/953043780.db2.gz NZNZTDAHXBLKBD-JSGCOSHPSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571211529 953077819 /nfs/dbraw/zinc/07/78/19/953077819.db2.gz AQLNEEWVSNNKFG-UKRRQHHQSA-N 0 3 382.472 0.864 20 0 GCADHN C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571211529 953077825 /nfs/dbraw/zinc/07/78/25/953077825.db2.gz AQLNEEWVSNNKFG-UKRRQHHQSA-N 0 3 382.472 0.864 20 0 GCADHN CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571211575 953078511 /nfs/dbraw/zinc/07/85/11/953078511.db2.gz BYVICKUFLLEUIV-AWEZNQCLSA-N 0 3 382.472 0.927 20 0 GCADHN CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571211575 953078515 /nfs/dbraw/zinc/07/85/15/953078515.db2.gz BYVICKUFLLEUIV-AWEZNQCLSA-N 0 3 382.472 0.927 20 0 GCADHN CN(c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571213302 953094662 /nfs/dbraw/zinc/09/46/62/953094662.db2.gz RCNKSTMNXKYVMJ-OAHLLOKOSA-N 0 3 382.472 0.785 20 0 GCADHN CN(c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571213302 953094666 /nfs/dbraw/zinc/09/46/66/953094666.db2.gz RCNKSTMNXKYVMJ-OAHLLOKOSA-N 0 3 382.472 0.785 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nc2)CC3)C1 ZINC001571214058 953099264 /nfs/dbraw/zinc/09/92/64/953099264.db2.gz VYHHQCGCLMZDSL-CJNGLKHVSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nc2)CC3)C1 ZINC001571214058 953099269 /nfs/dbraw/zinc/09/92/69/953099269.db2.gz VYHHQCGCLMZDSL-CJNGLKHVSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nc2)CC3)C1 ZINC001571214058 953099273 /nfs/dbraw/zinc/09/92/73/953099273.db2.gz VYHHQCGCLMZDSL-CJNGLKHVSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nc2)CC3)C1 ZINC001571214058 953099277 /nfs/dbraw/zinc/09/92/77/953099277.db2.gz VYHHQCGCLMZDSL-CJNGLKHVSA-N 0 3 382.472 0.689 20 0 GCADHN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CN(C(=O)c2ccon2)CCO1 ZINC001571218871 953119445 /nfs/dbraw/zinc/11/94/45/953119445.db2.gz FXXJSAYTOQPSJG-LRDDRELGSA-N 0 3 383.412 0.874 20 0 GCADHN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CN(C(=O)c2ccon2)CCO1 ZINC001571218871 953119447 /nfs/dbraw/zinc/11/94/47/953119447.db2.gz FXXJSAYTOQPSJG-LRDDRELGSA-N 0 3 383.412 0.874 20 0 GCADHN CN1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1=O ZINC001571230746 953179552 /nfs/dbraw/zinc/17/95/52/953179552.db2.gz IZZKJGNRRPMPGE-QEJZJMRPSA-N 0 3 383.456 0.329 20 0 GCADHN CN1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1=O ZINC001571230746 953179557 /nfs/dbraw/zinc/17/95/57/953179557.db2.gz IZZKJGNRRPMPGE-QEJZJMRPSA-N 0 3 383.456 0.329 20 0 GCADHN CN1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1=O ZINC001571230745 953179676 /nfs/dbraw/zinc/17/96/76/953179676.db2.gz IZZKJGNRRPMPGE-BPLDGKMQSA-N 0 3 383.456 0.329 20 0 GCADHN CN1C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1=O ZINC001571230745 953179678 /nfs/dbraw/zinc/17/96/78/953179678.db2.gz IZZKJGNRRPMPGE-BPLDGKMQSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)[C@@H]2C)C1 ZINC001571230928 953181348 /nfs/dbraw/zinc/18/13/48/953181348.db2.gz NOPQNDJUTGDWBK-SJCJKPOMSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)[C@@H]2C)C1 ZINC001571230928 953181352 /nfs/dbraw/zinc/18/13/52/953181352.db2.gz NOPQNDJUTGDWBK-SJCJKPOMSA-N 0 3 383.456 0.424 20 0 GCADHN C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571232227 953185993 /nfs/dbraw/zinc/18/59/93/953185993.db2.gz CFCHOHKTVAHNBT-QWHCGFSZSA-N 0 3 383.460 0.959 20 0 GCADHN C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571232227 953185996 /nfs/dbraw/zinc/18/59/96/953185996.db2.gz CFCHOHKTVAHNBT-QWHCGFSZSA-N 0 3 383.460 0.959 20 0 GCADHN CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571232410 953186633 /nfs/dbraw/zinc/18/66/33/953186633.db2.gz FCXZCRKQFKJZDX-CQJJVWNLSA-N 0 3 383.460 0.082 20 0 GCADHN CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571232410 953186635 /nfs/dbraw/zinc/18/66/35/953186635.db2.gz FCXZCRKQFKJZDX-CQJJVWNLSA-N 0 3 383.460 0.082 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@@H]1CCNC(=O)C1 ZINC001571232468 953187905 /nfs/dbraw/zinc/18/79/05/953187905.db2.gz GBUVEQZMWLMRFT-OGVSOVDVSA-N 0 3 383.456 0.377 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@@H]1CCNC(=O)C1 ZINC001571232468 953187907 /nfs/dbraw/zinc/18/79/07/953187907.db2.gz GBUVEQZMWLMRFT-OGVSOVDVSA-N 0 3 383.456 0.377 20 0 GCADHN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCNC(=O)CC1 ZINC001571232682 953188400 /nfs/dbraw/zinc/18/84/00/953188400.db2.gz JBRNUJQEZXOHDR-YUELXQCFSA-N 0 3 383.456 0.520 20 0 GCADHN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCNC(=O)CC1 ZINC001571232682 953188402 /nfs/dbraw/zinc/18/84/02/953188402.db2.gz JBRNUJQEZXOHDR-YUELXQCFSA-N 0 3 383.456 0.520 20 0 GCADHN CCn1cc(CC[NH2+]C2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001571233356 953191724 /nfs/dbraw/zinc/19/17/24/953191724.db2.gz SLGOYHBORFXYLW-UHFFFAOYSA-N 0 3 383.460 0.752 20 0 GCADHN CCn1cc(CC[NH2+]C2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001571233356 953191727 /nfs/dbraw/zinc/19/17/27/953191727.db2.gz SLGOYHBORFXYLW-UHFFFAOYSA-N 0 3 383.460 0.752 20 0 GCADHN Cn1nccc1CC[NH+]1CCC(C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571233828 953195893 /nfs/dbraw/zinc/19/58/93/953195893.db2.gz FPIDDVVNTVBNLZ-UHFFFAOYSA-N 0 3 383.460 0.755 20 0 GCADHN Cn1nccc1CC[NH2+]C1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571234116 953199246 /nfs/dbraw/zinc/19/92/46/953199246.db2.gz NJVCWYOEUDGKIN-UHFFFAOYSA-N 0 3 383.460 0.802 20 0 GCADHN Cn1nccc1CC[NH2+]C1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571234116 953199248 /nfs/dbraw/zinc/19/92/48/953199248.db2.gz NJVCWYOEUDGKIN-UHFFFAOYSA-N 0 3 383.460 0.802 20 0 GCADHN C[C@H]1CN(C(=O)c2cncn2C)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571239194 953237082 /nfs/dbraw/zinc/23/70/82/953237082.db2.gz HMGPVGOSFDXLKL-XHDPSFHLSA-N 0 3 384.419 0.990 20 0 GCADHN O=C(Cn1cccn1)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571241614 953248455 /nfs/dbraw/zinc/24/84/55/953248455.db2.gz GFZBWWZDZVZCJD-UHFFFAOYSA-N 0 3 384.419 0.983 20 0 GCADHN CN(C(=O)C[C@H]1COC(=O)C1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571241978 953252481 /nfs/dbraw/zinc/25/24/81/953252481.db2.gz RPCSUYIYBNBXSL-IUDNXUCKSA-N 0 3 384.440 0.899 20 0 GCADHN CN(C(=O)C[C@H]1COC(=O)C1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571241978 953252484 /nfs/dbraw/zinc/25/24/84/953252484.db2.gz RPCSUYIYBNBXSL-IUDNXUCKSA-N 0 3 384.440 0.899 20 0 GCADHN CN(C(=O)C[C@@H]1COC(=O)C1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571241979 953252599 /nfs/dbraw/zinc/25/25/99/953252599.db2.gz RPCSUYIYBNBXSL-JEYLPNPQSA-N 0 3 384.440 0.899 20 0 GCADHN CN(C(=O)C[C@@H]1COC(=O)C1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571241979 953252601 /nfs/dbraw/zinc/25/26/01/953252601.db2.gz RPCSUYIYBNBXSL-JEYLPNPQSA-N 0 3 384.440 0.899 20 0 GCADHN CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001571245379 953272895 /nfs/dbraw/zinc/27/28/95/953272895.db2.gz HDNXVOPUONGCAX-WCQYABFASA-N 0 3 384.448 0.304 20 0 GCADHN CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001571245379 953272896 /nfs/dbraw/zinc/27/28/96/953272896.db2.gz HDNXVOPUONGCAX-WCQYABFASA-N 0 3 384.448 0.304 20 0 GCADHN Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571246276 953281651 /nfs/dbraw/zinc/28/16/51/953281651.db2.gz XGXKLAMPOLURFL-UHFFFAOYSA-N 0 3 384.448 0.296 20 0 GCADHN Cc1nc(C)n(CC[NH2+]C2CC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571246276 953281655 /nfs/dbraw/zinc/28/16/55/953281655.db2.gz XGXKLAMPOLURFL-UHFFFAOYSA-N 0 3 384.448 0.296 20 0 GCADHN O=C(Cc1cnc[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001571247644 953283968 /nfs/dbraw/zinc/28/39/68/953283968.db2.gz BKINZXFSJSPGBH-TXEJJXNPSA-N 0 3 384.469 0.784 20 0 GCADHN O=C(Cc1cnc[nH]1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001571247644 953283973 /nfs/dbraw/zinc/28/39/73/953283973.db2.gz BKINZXFSJSPGBH-TXEJJXNPSA-N 0 3 384.469 0.784 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571252246 953325331 /nfs/dbraw/zinc/32/53/31/953325331.db2.gz IPPBVQDUQYHUHQ-LSDHHAIUSA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571252246 953325336 /nfs/dbraw/zinc/32/53/36/953325336.db2.gz IPPBVQDUQYHUHQ-LSDHHAIUSA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571252246 953325341 /nfs/dbraw/zinc/32/53/41/953325341.db2.gz IPPBVQDUQYHUHQ-LSDHHAIUSA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571252246 953325345 /nfs/dbraw/zinc/32/53/45/953325345.db2.gz IPPBVQDUQYHUHQ-LSDHHAIUSA-N 0 3 384.488 0.997 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571252735 953332667 /nfs/dbraw/zinc/33/26/67/953332667.db2.gz VIZAPFRVDXPLMD-CABCVRRESA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571252735 953332671 /nfs/dbraw/zinc/33/26/71/953332671.db2.gz VIZAPFRVDXPLMD-CABCVRRESA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571252735 953332673 /nfs/dbraw/zinc/33/26/73/953332673.db2.gz VIZAPFRVDXPLMD-CABCVRRESA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571252735 953332675 /nfs/dbraw/zinc/33/26/75/953332675.db2.gz VIZAPFRVDXPLMD-CABCVRRESA-N 0 3 384.488 0.949 20 0 GCADHN Cc1nc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)ccc1-c1nnn[n-]1 ZINC001571252912 953333866 /nfs/dbraw/zinc/33/38/66/953333866.db2.gz YWICTCBWGIUTMW-XOUADPBQSA-N 0 3 384.488 0.994 20 0 GCADHN Cc1nc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)ccc1-c1nnn[n-]1 ZINC001571252912 953333870 /nfs/dbraw/zinc/33/38/70/953333870.db2.gz YWICTCBWGIUTMW-XOUADPBQSA-N 0 3 384.488 0.994 20 0 GCADHN Cc1nc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571252912 953333874 /nfs/dbraw/zinc/33/38/74/953333874.db2.gz YWICTCBWGIUTMW-XOUADPBQSA-N 0 3 384.488 0.994 20 0 GCADHN Cc1nc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571252912 953333877 /nfs/dbraw/zinc/33/38/77/953333877.db2.gz YWICTCBWGIUTMW-XOUADPBQSA-N 0 3 384.488 0.994 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CN1C(=O)c1cnn(C)n1 ZINC001571255858 953357964 /nfs/dbraw/zinc/35/79/64/953357964.db2.gz VETSZFDRKUBDNE-PWSUYJOCSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CN1C(=O)c1cnn(C)n1 ZINC001571255858 953357970 /nfs/dbraw/zinc/35/79/70/953357970.db2.gz VETSZFDRKUBDNE-PWSUYJOCSA-N 0 3 385.407 0.527 20 0 GCADHN COC[C@@]1(C(=O)[O-])CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC001593971114 956617426 /nfs/dbraw/zinc/61/74/26/956617426.db2.gz ONCIAJZQLZKCLD-LJQANCHMSA-N 0 3 398.504 0.057 20 0 GCADHN COC(=O)C1CC2(C1)CN(CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H]2C(=O)[O-] ZINC001574046308 962110390 /nfs/dbraw/zinc/11/03/90/962110390.db2.gz CPZUMBTZJJGOER-CZDRUDQFSA-N 0 3 395.500 0.561 20 0 GCADHN Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC000910180175 981776357 /nfs/dbraw/zinc/77/63/57/981776357.db2.gz SSTGQCOFDCXZMT-JKSUJKDBSA-N 0 3 377.489 0.463 20 0 GCADHN Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC000910180175 981776361 /nfs/dbraw/zinc/77/63/61/981776361.db2.gz SSTGQCOFDCXZMT-JKSUJKDBSA-N 0 3 377.489 0.463 20 0 GCADHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599836001 988743143 /nfs/dbraw/zinc/74/31/43/988743143.db2.gz MYTITKXUMRUSFH-GJZGRUSLSA-N 0 3 395.508 0.595 20 0 GCADHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599836001 988743151 /nfs/dbraw/zinc/74/31/51/988743151.db2.gz MYTITKXUMRUSFH-GJZGRUSLSA-N 0 3 395.508 0.595 20 0 GCADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCC[NH+]2CCC(C(=O)[O-])CC2)cn1 ZINC001598578377 993309009 /nfs/dbraw/zinc/30/90/09/993309009.db2.gz GKGOKSMKFOAEEN-QZTJIDSGSA-N 0 3 391.516 0.758 20 0 GCADHN CN1CCC([NH+]2CCC(NC(=O)N3CCN(C)C[C@@H](C(=O)[O-])C3)CC2)CC1 ZINC001598585866 993381734 /nfs/dbraw/zinc/38/17/34/993381734.db2.gz OBGYFJTZEXJXLC-OAHLLOKOSA-N 0 3 381.521 0.203 20 0 GCADHN C[N@@H+]1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@@H](C(=O)[O-])C1 ZINC001598608494 993720112 /nfs/dbraw/zinc/72/01/12/993720112.db2.gz YWHYPZZIHXGGFU-SFHVURJKSA-N 0 3 389.500 0.951 20 0 GCADHN C[N@H+]1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@@H](C(=O)[O-])C1 ZINC001598608494 993720121 /nfs/dbraw/zinc/72/01/21/993720121.db2.gz YWHYPZZIHXGGFU-SFHVURJKSA-N 0 3 389.500 0.951 20 0 GCADHN COc1cc(C[NH2+]C2CCN(CC(=O)[O-])CC2)ccc1OCC(=O)N(C)C ZINC001599415514 997500752 /nfs/dbraw/zinc/50/07/52/997500752.db2.gz NVZFMUBELGLCBP-UHFFFAOYSA-N 0 3 379.457 0.801 20 0 GCADHN CCCNC(=O)C(C)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000044635701 530114192 /nfs/dbraw/zinc/11/41/92/530114192.db2.gz WCXMNCRBJMJSIK-GFCCVEGCSA-N 0 3 376.500 0.766 20 0 GCADHN CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000583928795 530116636 /nfs/dbraw/zinc/11/66/36/530116636.db2.gz OOLPJTTWNVNCDI-CQSZACIVSA-N 0 3 383.290 0.509 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@@](=O)CC[C@H]1C ZINC000530478209 530120375 /nfs/dbraw/zinc/12/03/75/530120375.db2.gz AVRNWGGZHKASPA-SPSFWMDKSA-N 0 3 376.548 0.593 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@](=O)CC[C@H]1C ZINC000530478208 530120497 /nfs/dbraw/zinc/12/04/97/530120497.db2.gz AVRNWGGZHKASPA-SFDCACGMSA-N 0 3 376.548 0.593 20 0 GCADHN CN(C)CCOc1ccccc1CNS(=O)(=O)CCCS(C)(=O)=O ZINC000607159055 530121700 /nfs/dbraw/zinc/12/17/00/530121700.db2.gz XCODAZOYEJZLRB-UHFFFAOYSA-N 0 3 378.516 0.481 20 0 GCADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000607160755 530122234 /nfs/dbraw/zinc/12/22/34/530122234.db2.gz ASLLRHVDVFHLGX-CHWSQXEVSA-N 0 3 375.516 0.827 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H]3CNCCO3)C2)s1 ZINC000333308801 530124106 /nfs/dbraw/zinc/12/41/06/530124106.db2.gz RIBNCPRZRQZVEC-ZIAGYGMSSA-N 0 3 387.527 0.562 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@@]1(C)CCOC1 ZINC000571517018 530125800 /nfs/dbraw/zinc/12/58/00/530125800.db2.gz YGOJXGDINHIAQH-MRXNPFEDSA-N 0 3 390.527 0.727 20 0 GCADHN COCC[NH2+]CCNC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000262141963 530132259 /nfs/dbraw/zinc/13/22/59/530132259.db2.gz PUWQVVCCZVSIMX-HNNXBMFYSA-N 0 3 375.466 0.481 20 0 GCADHN COCCNc1nc(N[C@H]2CS[C@@H](C)C2)nc(N[C@@H]2CS[C@H](C)C2)n1 ZINC000413519143 530132813 /nfs/dbraw/zinc/13/28/13/530132813.db2.gz OHIASLRHXXJWJR-FNFFVJSTSA-N 0 3 384.575 0.807 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000262259042 530133319 /nfs/dbraw/zinc/13/33/19/530133319.db2.gz XLUOENSKQUYLJM-AWEZNQCLSA-N 0 3 399.289 0.395 20 0 GCADHN CC1CCN(C[C@H](O)CNC(=O)NCC2(CS(C)(=O)=O)CCC2)CC1 ZINC000413845063 530137284 /nfs/dbraw/zinc/13/72/84/530137284.db2.gz JOYVSDPURDQKQX-OAHLLOKOSA-N 0 3 375.535 0.593 20 0 GCADHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)CCC(=O)NC1CCCC1 ZINC000414220340 530140834 /nfs/dbraw/zinc/14/08/34/530140834.db2.gz FOMGESLTLLGGNS-GFCCVEGCSA-N 0 3 376.475 0.306 20 0 GCADHN CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000414216192 530140895 /nfs/dbraw/zinc/14/08/95/530140895.db2.gz YYMOZVBJULCZPU-SNVBAGLBSA-N 0 3 390.483 0.877 20 0 GCADHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)[C@H](C)C(=O)NC1CCCC1 ZINC000414232197 530141700 /nfs/dbraw/zinc/14/17/00/530141700.db2.gz WIBXYSOZHSEXKE-NWDGAFQWSA-N 0 3 376.475 0.305 20 0 GCADHN CC(C)OC(=O)CNC(=O)[C@H](C)S(=O)(=O)C(C)C(=O)NC1CCCC1 ZINC000414232197 530141701 /nfs/dbraw/zinc/14/17/01/530141701.db2.gz WIBXYSOZHSEXKE-NWDGAFQWSA-N 0 3 376.475 0.305 20 0 GCADHN CCN(CCCNCc1ccc(S(N)(=O)=O)c(Cl)c1)S(C)(=O)=O ZINC000414299977 530141976 /nfs/dbraw/zinc/14/19/76/530141976.db2.gz RWYBPPUZGGJGLV-UHFFFAOYSA-N 0 3 383.923 0.749 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cn1cc(Br)cn1 ZINC000263697308 530143656 /nfs/dbraw/zinc/14/36/56/530143656.db2.gz NWCBXNBZTYCASR-CYBMUJFWSA-N 0 3 386.294 0.705 20 0 GCADHN O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)[C@@H]1CN2CCN1CCC2 ZINC000332810697 530157883 /nfs/dbraw/zinc/15/78/83/530157883.db2.gz KDKODXYACRHLDE-GJZGRUSLSA-N 0 3 393.285 0.670 20 0 GCADHN CN1CCN(CCCNC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000263963201 530149884 /nfs/dbraw/zinc/14/98/84/530149884.db2.gz FKGATKQKJICGPD-UHFFFAOYSA-N 0 3 387.278 0.526 20 0 GCADHN CN1CCNC[C@@H]1CNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000648148059 530150821 /nfs/dbraw/zinc/15/08/21/530150821.db2.gz CFCCTTGZCHIUKW-GFCCVEGCSA-N 0 3 390.303 0.243 20 0 GCADHN CN1CCNC[C@H]1CNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000648148060 530150852 /nfs/dbraw/zinc/15/08/52/530150852.db2.gz CFCCTTGZCHIUKW-LBPRGKRZSA-N 0 3 390.303 0.243 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCC(O)CC2)c1 ZINC000265652084 530188045 /nfs/dbraw/zinc/18/80/45/530188045.db2.gz ZLOJWSCYWCONRP-UHFFFAOYSA-N 0 3 389.905 0.825 20 0 GCADHN O=C(CNC(=O)c1cccc(Br)c1)NC[C@@]1(O)CN2CCC1CC2 ZINC000556849856 530188943 /nfs/dbraw/zinc/18/89/43/530188943.db2.gz CPMYLWSEKVWJGD-QGZVFWFLSA-N 0 3 396.285 0.752 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(C[C@H](O)COCc2ccccc2F)C1 ZINC000265770574 530189870 /nfs/dbraw/zinc/18/98/70/530189870.db2.gz CKRADLVQFZVLSH-HIFRSBDPSA-N 0 3 375.466 0.208 20 0 GCADHN C[C@@H](CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)N(C)C1CC1 ZINC000057702008 530196415 /nfs/dbraw/zinc/19/64/15/530196415.db2.gz NFBKKZOGATZUCL-VIFPVBQESA-N 0 3 397.277 0.491 20 0 GCADHN CC(C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000048045245 530197511 /nfs/dbraw/zinc/19/75/11/530197511.db2.gz NYYVJOIBBCFZLG-LBPRGKRZSA-N 0 3 392.474 0.482 20 0 GCADHN CS[C@H]1CN(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@@H]1N(C)C ZINC000516897142 530197548 /nfs/dbraw/zinc/19/75/48/530197548.db2.gz CRGMKUFGTIACRV-STQMWFEESA-N 0 3 376.479 0.982 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000266247887 530198810 /nfs/dbraw/zinc/19/88/10/530198810.db2.gz XGOPBFUXSIRJTD-IUODEOHRSA-N 0 3 375.516 0.555 20 0 GCADHN CN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C1CCN(C)CC1 ZINC000066147214 530207413 /nfs/dbraw/zinc/20/74/13/530207413.db2.gz LTMSJKQBAZXOSI-UHFFFAOYSA-N 0 3 397.277 0.445 20 0 GCADHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000266333140 530200009 /nfs/dbraw/zinc/20/00/09/530200009.db2.gz TWEANPGVKAEQGH-ZDUSSCGKSA-N 0 3 375.516 0.700 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(O)CCN(C)CC2)c1 ZINC000266772529 530204505 /nfs/dbraw/zinc/20/45/05/530204505.db2.gz QIGBJHKGEZKJNK-UHFFFAOYSA-N 0 3 375.878 0.435 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C[C@H](C)S1(=O)=O ZINC000558032583 530204594 /nfs/dbraw/zinc/20/45/94/530204594.db2.gz UPANPWHPKGVEAU-YNEHKIRRSA-N 0 3 381.516 0.393 20 0 GCADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CCN(C)C)c1 ZINC000267062145 530207759 /nfs/dbraw/zinc/20/77/59/530207759.db2.gz BWESZIJJXHLUKX-UHFFFAOYSA-N 0 3 377.894 0.898 20 0 GCADHN COCCN1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000264565798 530161665 /nfs/dbraw/zinc/16/16/65/530161665.db2.gz RLBOHMJJZVRKEI-AWEZNQCLSA-N 0 3 389.905 0.797 20 0 GCADHN COCCN1CCC(NC(=O)c2sccc2S(=O)(=O)N(C)C)CC1 ZINC000264632287 530162853 /nfs/dbraw/zinc/16/28/53/530162853.db2.gz BQMAUHZWBPYFJH-UHFFFAOYSA-N 0 3 375.516 0.839 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000530835173 530163210 /nfs/dbraw/zinc/16/32/10/530163210.db2.gz DDWDNUOBQQPVBJ-CQSZACIVSA-N 0 3 389.543 0.986 20 0 GCADHN COC[C@@]1(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCC[NH2+]1 ZINC000647042495 530167544 /nfs/dbraw/zinc/16/75/44/530167544.db2.gz LSHDKHAAODAORL-ZDUSSCGKSA-N 0 3 381.907 0.565 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC2CCN(C)CC2)c1 ZINC000264781295 530167657 /nfs/dbraw/zinc/16/76/57/530167657.db2.gz UNHSNSRMAGGONJ-UHFFFAOYSA-N 0 3 375.516 0.557 20 0 GCADHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2n[nH]cc2Br)n1 ZINC000533461713 530169634 /nfs/dbraw/zinc/16/96/34/530169634.db2.gz FKNNGGTYPHVXAT-UHFFFAOYSA-N 0 3 384.238 0.185 20 0 GCADHN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C)C[C@H]1CN ZINC000584230467 530206069 /nfs/dbraw/zinc/20/60/69/530206069.db2.gz HIKIDYVHRQIEHC-VHSXEESVSA-N 0 3 389.319 0.730 20 0 GCADHN CN(C)S(=O)(=O)c1ccsc1C(=O)NCCCN1CCC(O)CC1 ZINC000265559116 530185750 /nfs/dbraw/zinc/18/57/50/530185750.db2.gz FRSSCDLSPKVXAT-UHFFFAOYSA-N 0 3 375.516 0.575 20 0 GCADHN O=C(NCCCN1CCC(O)CC1)c1nc2ncc(Br)cn2n1 ZINC000265601727 530186437 /nfs/dbraw/zinc/18/64/37/530186437.db2.gz MJTSHLIMNZWXDS-UHFFFAOYSA-N 0 3 383.250 0.463 20 0 GCADHN Cc1ccc(I)c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000564472076 530251208 /nfs/dbraw/zinc/25/12/08/530251208.db2.gz WIYJWUYNQQENEN-GXFFZTMASA-N 0 3 399.232 0.984 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000588698804 530225353 /nfs/dbraw/zinc/22/53/53/530225353.db2.gz AMNXTWCLLFXISA-ZDUSSCGKSA-N 0 3 384.278 0.586 20 0 GCADHN CN(C)C(=O)CCN1CCC(NC(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000668509450 530225796 /nfs/dbraw/zinc/22/57/96/530225796.db2.gz PZSSIJSPWZWUAS-UHFFFAOYSA-N 0 3 388.515 0.068 20 0 GCADHN Cc1ccc(I)c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000564472078 530251283 /nfs/dbraw/zinc/25/12/83/530251283.db2.gz WIYJWUYNQQENEN-ZWNOBZJWSA-N 0 3 399.232 0.984 20 0 GCADHN COc1ccc(C(=O)N[C@@H](CO)CN(C)C)c(I)c1 ZINC000588866979 530226517 /nfs/dbraw/zinc/22/65/17/530226517.db2.gz ULQWWYZNMLYVSH-SECBINFHSA-N 0 3 378.210 0.952 20 0 GCADHN CN(C)C(=O)CCN1CCC(NC(=O)Cn2cc(Br)cn2)CC1 ZINC000518295253 530227400 /nfs/dbraw/zinc/22/74/00/530227400.db2.gz UTQSIXJIHVFFHC-UHFFFAOYSA-N 0 3 386.294 0.705 20 0 GCADHN CN1CC[C@@H]2OCCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)[C@H]2C1 ZINC000328951553 530232091 /nfs/dbraw/zinc/23/20/91/530232091.db2.gz HUDPQAXYZSAQNH-QWRGUYRKSA-N 0 3 393.918 0.611 20 0 GCADHN CCCCN(C)CCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000569382220 530233571 /nfs/dbraw/zinc/23/35/71/530233571.db2.gz FZZKJSQVQCUMLE-OAHLLOKOSA-N 0 3 377.555 0.678 20 0 GCADHN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000269070338 530234736 /nfs/dbraw/zinc/23/47/36/530234736.db2.gz ZVUXKGWMMHCLKK-TZMCWYRMSA-N 0 3 375.516 0.669 20 0 GCADHN CSCC[C@@H](N)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000269088031 530235134 /nfs/dbraw/zinc/23/51/34/530235134.db2.gz NCHCNTHDNLJPKC-CYBMUJFWSA-N 0 3 391.490 0.866 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000269150737 530235641 /nfs/dbraw/zinc/23/56/41/530235641.db2.gz RSCFCCHJTSTHBR-CZUORRHYSA-N 0 3 387.527 0.700 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000269150738 530235700 /nfs/dbraw/zinc/23/57/00/530235700.db2.gz RSCFCCHJTSTHBR-XJKSGUPXSA-N 0 3 387.527 0.700 20 0 GCADHN O=C(C[C@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000269183600 530236360 /nfs/dbraw/zinc/23/63/60/530236360.db2.gz CYTGPZWNKPXCLR-AWEZNQCLSA-N 0 3 387.889 0.551 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000269199145 530236405 /nfs/dbraw/zinc/23/64/05/530236405.db2.gz DSOQZRGUAFIULL-ZDUSSCGKSA-N 0 3 375.878 0.503 20 0 GCADHN CN1CCN(CCCNC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000093906473 530238957 /nfs/dbraw/zinc/23/89/57/530238957.db2.gz JOTRDAXDQYDCAT-UHFFFAOYSA-N 0 3 381.278 0.859 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(C)s2)C1 ZINC000269387133 530240088 /nfs/dbraw/zinc/24/00/88/530240088.db2.gz ZVXXTUARGSSCTN-CYBMUJFWSA-N 0 3 390.531 0.355 20 0 GCADHN C[NH+](C)C1(CNC(=O)NCC[N-]S(=O)(=O)c2cccs2)CCOCC1 ZINC000269473649 530241764 /nfs/dbraw/zinc/24/17/64/530241764.db2.gz JVFBOKOPMIQSBO-UHFFFAOYSA-N 0 3 390.531 0.436 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccs1)[C@H]1CCCN1C1CCOCC1 ZINC000269675902 530245165 /nfs/dbraw/zinc/24/51/65/530245165.db2.gz NHAARVPESLRMCL-CQSZACIVSA-N 0 3 387.527 0.786 20 0 GCADHN [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C[N-]S(=O)(=O)c3cccs3)C2)C1 ZINC000653189509 530250187 /nfs/dbraw/zinc/25/01/87/530250187.db2.gz YNLHIPDYNCEFMO-MGPQQGTHSA-N 0 3 387.527 0.771 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)CCOCC(F)(F)F)C1 ZINC000558436893 530209691 /nfs/dbraw/zinc/20/96/91/530209691.db2.gz PDRCDKSRQPZTRG-NSHDSACASA-N 0 3 375.413 0.072 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCSC1 ZINC000267211439 530210002 /nfs/dbraw/zinc/21/00/02/530210002.db2.gz SIKCPARUBYTJMP-MRXNPFEDSA-N 0 3 386.543 0.613 20 0 GCADHN C[NH+](C)CCCOC1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000267223386 530210477 /nfs/dbraw/zinc/21/04/77/530210477.db2.gz HTWJXFHNJFDCTJ-UHFFFAOYSA-N 0 3 389.543 0.986 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000267218285 530210496 /nfs/dbraw/zinc/21/04/96/530210496.db2.gz HQDZUKIIVUPEBT-HNNXBMFYSA-N 0 3 390.531 0.107 20 0 GCADHN CC[NH+](CC)CCN(CCOC)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000267646213 530215073 /nfs/dbraw/zinc/21/50/73/530215073.db2.gz ZSOFSOVBWMGUFU-UHFFFAOYSA-N 0 3 375.491 0.927 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)c3ccncc32)c1 ZINC000267728555 530216158 /nfs/dbraw/zinc/21/61/58/530216158.db2.gz FZVCQLMGIZPNGR-UHFFFAOYSA-N 0 3 382.467 0.635 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000267983930 530218835 /nfs/dbraw/zinc/21/88/35/530218835.db2.gz OTMZGMZZUDAYDQ-OLZOCXBDSA-N 0 3 377.532 0.888 20 0 GCADHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000414462960 530220929 /nfs/dbraw/zinc/22/09/29/530220929.db2.gz INJARKTVCBLGLO-HOTGVXAUSA-N 0 3 387.527 0.988 20 0 GCADHN CS(=O)(=O)N(c1ccc(OCCN[C@@H]2CCOC2)cc1)S(C)(=O)=O ZINC000271477428 530272681 /nfs/dbraw/zinc/27/26/81/530272681.db2.gz XANBSTDLEBUKOD-GFCCVEGCSA-N 0 3 378.472 0.170 20 0 GCADHN Cc1nc(Br)ccc1NC(=O)C(=O)NCC1(O)CCN(C)CC1 ZINC000271588198 530273680 /nfs/dbraw/zinc/27/36/80/530273680.db2.gz CTSUXWCFOITSAV-UHFFFAOYSA-N 0 3 385.262 0.664 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000124965637 530276898 /nfs/dbraw/zinc/27/68/98/530276898.db2.gz IQJVOIKYPYHXIZ-NSHDSACASA-N 0 3 385.262 0.687 20 0 GCADHN C[C@@H]1CNCCN1C(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000125045944 530277054 /nfs/dbraw/zinc/27/70/54/530277054.db2.gz DEVFGVVRXLIFJV-MRVPVSSYSA-N 0 3 382.305 0.609 20 0 GCADHN CS[C@@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C[C@@H]1N(C)C ZINC000272028352 530277915 /nfs/dbraw/zinc/27/79/15/530277915.db2.gz MNNVDPGGVCAFFX-LSDHHAIUSA-N 0 3 386.543 0.558 20 0 GCADHN CC(C)NS(=O)(=O)NCCN[C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000562630823 530294365 /nfs/dbraw/zinc/29/43/65/530294365.db2.gz XJLQEIARBFRIBH-HNNXBMFYSA-N 0 3 390.531 0.133 20 0 GCADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cc(Br)cn2C)cn1 ZINC000150898940 530278404 /nfs/dbraw/zinc/27/84/04/530278404.db2.gz UNPRDTSGTYOGBZ-UHFFFAOYSA-N 0 3 397.277 0.914 20 0 GCADHN CCN1CCC(CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000561492534 530279402 /nfs/dbraw/zinc/27/94/02/530279402.db2.gz JEFRVNJLNPCHFR-UHFFFAOYSA-N 0 3 375.516 0.881 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000274223222 530294507 /nfs/dbraw/zinc/29/45/07/530294507.db2.gz OWQJYMVOCMJDMD-UHFFFAOYSA-N 0 3 386.294 0.809 20 0 GCADHN COC[C@]1(C[N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CCC[NH2+]1 ZINC000647297003 530282594 /nfs/dbraw/zinc/28/25/94/530282594.db2.gz HUVBNXNMNVKKDV-XHDPSFHLSA-N 0 3 375.516 0.992 20 0 GCADHN CN(C1C[NH2+]C1)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000647299447 530283777 /nfs/dbraw/zinc/28/37/77/530283777.db2.gz ILHBFXJTORNRGK-UHFFFAOYSA-N 0 3 387.405 0.120 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)N(C)C ZINC000273053369 530285176 /nfs/dbraw/zinc/28/51/76/530285176.db2.gz VTUGICOPHQWGEX-WHOFXGATSA-N 0 3 389.905 0.530 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cnn(C)c1Br ZINC000273198964 530286312 /nfs/dbraw/zinc/28/63/12/530286312.db2.gz JLZVHMZKPIIMMT-GFCCVEGCSA-N 0 3 386.294 0.855 20 0 GCADHN COCCO[C@H]1COCC[C@H]1NC(=O)NCC1(SC)CCN(C)CC1 ZINC000569635241 530287438 /nfs/dbraw/zinc/28/74/38/530287438.db2.gz UJPPDQVPHZXZQA-CABCVRRESA-N 0 3 375.535 0.934 20 0 GCADHN NC(=O)[C@@H](Cc1ccccc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000273471557 530288586 /nfs/dbraw/zinc/28/85/86/530288586.db2.gz QDSIASDEWUUINF-CYBMUJFWSA-N 0 3 379.404 0.987 20 0 GCADHN CSC1(CNC(=O)NCc2cccc(S(N)(=O)=O)c2)CCN(C)CC1 ZINC000562249796 530290169 /nfs/dbraw/zinc/29/01/69/530290169.db2.gz BLOBVSMLKZRGGC-UHFFFAOYSA-N 0 3 386.543 0.961 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000132082263 530290335 /nfs/dbraw/zinc/29/03/35/530290335.db2.gz FTPNBVXDFSLIKI-AWEZNQCLSA-N 0 3 376.226 0.956 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000429201747 530290687 /nfs/dbraw/zinc/29/06/87/530290687.db2.gz SOAQVLNCAMMUAJ-UHFFFAOYSA-N 0 3 377.555 0.582 20 0 GCADHN C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000133383433 530292325 /nfs/dbraw/zinc/29/23/25/530292325.db2.gz KNUNPAZNDQFXBS-JTQLQIEISA-N 0 3 376.276 0.629 20 0 GCADHN CC(C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)S(C)(=O)=O ZINC000107514373 530252822 /nfs/dbraw/zinc/25/28/22/530252822.db2.gz MOASKDXLVWEFRG-GFCCVEGCSA-N 0 3 387.889 0.856 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000269871034 530252907 /nfs/dbraw/zinc/25/29/07/530252907.db2.gz FVIRFSGZOBGBST-DOMZBBRYSA-N 0 3 375.516 0.330 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000269874601 530252969 /nfs/dbraw/zinc/25/29/69/530252969.db2.gz GTHHDJWHKDKRMZ-HNNXBMFYSA-N 0 3 375.516 0.575 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000269871036 530253022 /nfs/dbraw/zinc/25/30/22/530253022.db2.gz FVIRFSGZOBGBST-SWLSCSKDSA-N 0 3 375.516 0.330 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000269871037 530253149 /nfs/dbraw/zinc/25/31/49/530253149.db2.gz FVIRFSGZOBGBST-WFASDCNBSA-N 0 3 375.516 0.330 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000269943020 530254794 /nfs/dbraw/zinc/25/47/94/530254794.db2.gz UICWMUGTVNUKEG-OAHLLOKOSA-N 0 3 377.894 0.633 20 0 GCADHN O=C(N[C@@H]1CNCCC1(F)F)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000564957106 530256581 /nfs/dbraw/zinc/25/65/81/530256581.db2.gz ZQJHZULETCXVPL-LLVKDONJSA-N 0 3 395.453 0.496 20 0 GCADHN CC(C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000560079116 530260267 /nfs/dbraw/zinc/26/02/67/530260267.db2.gz VFBMEKOVTRAQDL-TZMCWYRMSA-N 0 3 389.495 0.689 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000626023961 530262066 /nfs/dbraw/zinc/26/20/66/530262066.db2.gz XEFNLSSWTVUSND-OAGGEKHMSA-N 0 3 375.535 0.664 20 0 GCADHN CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1N(C)C ZINC000270622981 530262350 /nfs/dbraw/zinc/26/23/50/530262350.db2.gz DRCLNRVNUUEOBH-KCPJHIHWSA-N 0 3 386.543 0.638 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000270714443 530263263 /nfs/dbraw/zinc/26/32/63/530263263.db2.gz GYYRYPDWWWTGPG-LSDHHAIUSA-N 0 3 387.527 0.986 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)S(C)(=O)=O ZINC000270875253 530265296 /nfs/dbraw/zinc/26/52/96/530265296.db2.gz NPBNHOAAVCLUIW-JOYOIKCWSA-N 0 3 389.271 0.882 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cnn2cc(Br)cnc12 ZINC000560506506 530266544 /nfs/dbraw/zinc/26/65/44/530266544.db2.gz FHLXJYRUWLMQKN-HNNXBMFYSA-N 0 3 380.246 0.678 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000271027412 530266562 /nfs/dbraw/zinc/26/65/62/530266562.db2.gz FDDWPJPPBSXLHG-GFCCVEGCSA-N 0 3 375.878 0.919 20 0 GCADHN CN(CC[NH+](C)C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000119487150 530267911 /nfs/dbraw/zinc/26/79/11/530267911.db2.gz CQRILFJXDVYEEF-UHFFFAOYSA-N 0 3 384.321 0.809 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)C[C@@H]1O ZINC000560636405 530268061 /nfs/dbraw/zinc/26/80/61/530268061.db2.gz JWTHIFHFAJEQBO-STQMWFEESA-N 0 3 387.527 0.670 20 0 GCADHN CN(C)[C@H]1CN(C(=O)COc2cccc(I)c2)C[C@@H]1O ZINC000560636607 530268137 /nfs/dbraw/zinc/26/81/37/530268137.db2.gz XFPDNIHETWDBPX-STQMWFEESA-N 0 3 390.221 0.803 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000271118482 530268273 /nfs/dbraw/zinc/26/82/73/530268273.db2.gz KJSNGJNOFXCUEG-KGLIPLIRSA-N 0 3 390.531 0.057 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)C[C@@H]1N(C)C ZINC000271137560 530268416 /nfs/dbraw/zinc/26/84/16/530268416.db2.gz OGXYAJPSTUZKJN-WCQYABFASA-N 0 3 375.516 0.956 20 0 GCADHN CN(CC(=O)NCCCNC(=O)CN(C)[C@H]1CCSC1)[C@H]1CCSC1 ZINC000583398209 530269632 /nfs/dbraw/zinc/26/96/32/530269632.db2.gz GHWPMCLGZHTXSJ-GJZGRUSLSA-N 0 3 388.603 0.484 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cc1F ZINC000271226729 530269736 /nfs/dbraw/zinc/26/97/36/530269736.db2.gz RGJIRQBEWRSFQJ-CQSZACIVSA-N 0 3 397.494 0.178 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cc1F ZINC000271226728 530269753 /nfs/dbraw/zinc/26/97/53/530269753.db2.gz RGJIRQBEWRSFQJ-AWEZNQCLSA-N 0 3 397.494 0.178 20 0 GCADHN CC(C)NS(=O)(=O)NCCN[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000277163040 530329686 /nfs/dbraw/zinc/32/96/86/530329686.db2.gz RHCXMMYRPGBKPW-NSHDSACASA-N 0 3 377.898 0.874 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000277175926 530329720 /nfs/dbraw/zinc/32/97/20/530329720.db2.gz ZENXEBJFKMERQD-UHFFFAOYSA-N 0 3 375.495 0.185 20 0 GCADHN C[C@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000274438848 530296367 /nfs/dbraw/zinc/29/63/67/530296367.db2.gz PPJNXIBBBRJNBV-PWSUYJOCSA-N 0 3 375.878 0.874 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000274508802 530297341 /nfs/dbraw/zinc/29/73/41/530297341.db2.gz WDNYTBDQYGRHMD-UHFFFAOYSA-N 0 3 388.262 0.827 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCN(CCOC)CC1 ZINC000141375747 530297527 /nfs/dbraw/zinc/29/75/27/530297527.db2.gz DEVIUDDMSOUYQG-MRXNPFEDSA-N 0 3 375.535 0.808 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000274514179 530297595 /nfs/dbraw/zinc/29/75/95/530297595.db2.gz XFMFVPACNPYAHJ-UHFFFAOYSA-N 0 3 393.669 0.866 20 0 GCADHN CCN(CCO)CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000274531738 530297661 /nfs/dbraw/zinc/29/76/61/530297661.db2.gz ALCIQRSPYXRVHH-UHFFFAOYSA-N 0 3 392.909 0.232 20 0 GCADHN CCN(CCO)CCNC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000274543538 530298088 /nfs/dbraw/zinc/29/80/88/530298088.db2.gz CTGKZGNBHWNGIV-UHFFFAOYSA-N 0 3 392.547 0.257 20 0 GCADHN CC(C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)S(C)(=O)=O ZINC000138991802 530299344 /nfs/dbraw/zinc/29/93/44/530299344.db2.gz BGVNRIDPDQCQSG-GFCCVEGCSA-N 0 3 377.484 0.751 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)CC1 ZINC000444139672 530300507 /nfs/dbraw/zinc/30/05/07/530300507.db2.gz JEJGMJZOJNWWBU-RHSMWYFYSA-N 0 3 375.535 0.839 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC1CCN(CCOC)CC1 ZINC000141335845 530300834 /nfs/dbraw/zinc/30/08/34/530300834.db2.gz OGZAGPXQAKULEG-INIZCTEOSA-N 0 3 375.535 0.808 20 0 GCADHN Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000569678176 530304138 /nfs/dbraw/zinc/30/41/38/530304138.db2.gz ZORTUOBYXXYLJI-AWEZNQCLSA-N 0 3 383.290 0.475 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)c1 ZINC000298495889 530307091 /nfs/dbraw/zinc/30/70/91/530307091.db2.gz OLLPMYLIAOXHBB-HOTGVXAUSA-N 0 3 387.527 0.842 20 0 GCADHN COC(=O)c1csc([C@H](C)NCCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000586789890 530307974 /nfs/dbraw/zinc/30/79/74/530307974.db2.gz MPZWKRQOEOPUQC-LBPRGKRZSA-N 0 3 375.516 0.763 20 0 GCADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC000635864470 530308111 /nfs/dbraw/zinc/30/81/11/530308111.db2.gz IVBCIFSWKSSSLD-HNNXBMFYSA-N 0 3 377.551 0.863 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@H]2CCc3c2cccc3Br)[C@H](CN)C1 ZINC000569795657 530311160 /nfs/dbraw/zinc/31/11/60/530311160.db2.gz ABSDVCXFGXTHMU-ABAIWWIYSA-N 0 3 395.301 0.654 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCC1CC[NH+](C)CC1 ZINC000275387543 530311303 /nfs/dbraw/zinc/31/13/03/530311303.db2.gz AISFEUMIDNYUGY-UHFFFAOYSA-N 0 3 389.543 0.947 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCC1 ZINC000275443257 530312103 /nfs/dbraw/zinc/31/21/03/530312103.db2.gz HHMJTNQPRCKAMD-UHFFFAOYSA-N 0 3 387.527 0.890 20 0 GCADHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000275589336 530313121 /nfs/dbraw/zinc/31/31/21/530313121.db2.gz GBHOLHFZOGWZDR-AWEZNQCLSA-N 0 3 386.543 0.767 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C[C@H]1CSCCN1 ZINC000569967701 530314068 /nfs/dbraw/zinc/31/40/68/530314068.db2.gz XKLMZOVXQRAYEJ-AWEZNQCLSA-N 0 3 387.527 0.011 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000152715758 530314953 /nfs/dbraw/zinc/31/49/53/530314953.db2.gz ZXNWJCGHYGLIKW-CQSZACIVSA-N 0 3 386.250 0.724 20 0 GCADHN CN(C)S(=O)(=O)NCCNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000628274739 530315294 /nfs/dbraw/zinc/31/52/94/530315294.db2.gz KPPMIIRLBZKQCK-UHFFFAOYSA-N 0 3 389.953 0.577 20 0 GCADHN CN(C)CCN1CCC(NC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000153570975 530316396 /nfs/dbraw/zinc/31/63/96/530316396.db2.gz CBTUCYPPMWSIQA-UHFFFAOYSA-N 0 3 398.305 0.925 20 0 GCADHN Cn1ncc(I)c1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000570224471 530317011 /nfs/dbraw/zinc/31/70/11/530317011.db2.gz VGKRSAHLELFRCQ-CYBMUJFWSA-N 0 3 390.225 0.211 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cncc(Br)c1)CN1CCN(C)CC1 ZINC000154144591 530318091 /nfs/dbraw/zinc/31/80/91/530318091.db2.gz CQURMPMDCKFKHX-LBPRGKRZSA-N 0 3 398.305 0.782 20 0 GCADHN CNS(=O)(=O)CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000275964986 530318507 /nfs/dbraw/zinc/31/85/07/530318507.db2.gz IABAZNNONGVGDT-UHFFFAOYSA-N 0 3 386.543 0.949 20 0 GCADHN O=C(NC[C@H]1CNCCO1)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000570562691 530321166 /nfs/dbraw/zinc/32/11/66/530321166.db2.gz SIDRSJRDPARXTF-LLVKDONJSA-N 0 3 391.540 0.204 20 0 GCADHN CN(CC(=O)Nc1ccc(Br)cn1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414736011 530322692 /nfs/dbraw/zinc/32/26/92/530322692.db2.gz CNCRIPNRKPLSJS-GFCCVEGCSA-N 0 3 398.305 0.912 20 0 GCADHN CC(C)[C@@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000157325678 530324538 /nfs/dbraw/zinc/32/45/38/530324538.db2.gz JARJKRPIXKYDOJ-QMMMGPOBSA-N 0 3 384.321 0.888 20 0 GCADHN CN1CCN(C(=O)COc2cccc(I)c2)[C@H](CN)C1 ZINC000570799499 530325123 /nfs/dbraw/zinc/32/51/23/530325123.db2.gz RIRTUTSMGIBVFH-GFCCVEGCSA-N 0 3 389.237 0.771 20 0 GCADHN [NH3+]C1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000157680913 530325231 /nfs/dbraw/zinc/32/52/31/530325231.db2.gz ATEGWAIPRAJFFM-UHFFFAOYSA-N 0 3 382.305 0.739 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)c(OC)c1 ZINC000570842560 530326123 /nfs/dbraw/zinc/32/61/23/530326123.db2.gz YZEPQXGOMJYBOV-GFCCVEGCSA-N 0 3 391.515 0.816 20 0 GCADHN [NH3+][C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000158571936 530327113 /nfs/dbraw/zinc/32/71/13/530327113.db2.gz GPJNRDLIADHTGF-MRVPVSSYSA-N 0 3 382.305 0.739 20 0 GCADHN CN(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000158849272 530327224 /nfs/dbraw/zinc/32/72/24/530327224.db2.gz HBFJELSJMBQZLJ-INIZCTEOSA-N 0 3 397.273 0.894 20 0 GCADHN Cn1cc(CNC[C@H](CO)Cc2cccc(Br)c2)c(=O)n(C)c1=O ZINC000277102229 530329146 /nfs/dbraw/zinc/32/91/46/530329146.db2.gz WNWWRCGQNWVMOW-CYBMUJFWSA-N 0 3 396.285 0.787 20 0 GCADHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000280838312 530355155 /nfs/dbraw/zinc/35/51/55/530355155.db2.gz ZWKKMYUVNQZALL-CYBMUJFWSA-N 0 3 375.516 0.980 20 0 GCADHN CN(C)[C@@]1(CNC(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CCSC1 ZINC000281048137 530356493 /nfs/dbraw/zinc/35/64/93/530356493.db2.gz OMHYDLBOTYSUTD-OAHLLOKOSA-N 0 3 387.531 0.891 20 0 GCADHN CN1CCN(CCNC(=O)c2nc3ncc(Br)cn3n2)CC1(C)C ZINC000281662597 530361533 /nfs/dbraw/zinc/36/15/33/530361533.db2.gz CMEXPIMWBDPDIA-UHFFFAOYSA-N 0 3 396.293 0.643 20 0 GCADHN CN1CCN(CCNC(=O)Cn2cc(Br)ccc2=O)CC1(C)C ZINC000281668708 530361768 /nfs/dbraw/zinc/36/17/68/530361768.db2.gz DBGOGZDBTMUJPJ-UHFFFAOYSA-N 0 3 385.306 0.753 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cncc(Br)c2)CC1(C)C ZINC000281843342 530363515 /nfs/dbraw/zinc/36/35/15/530363515.db2.gz FVKRJTQDROCONH-UHFFFAOYSA-N 0 3 398.305 0.925 20 0 GCADHN CN(C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)[C@@H]1CC[NH2+]C1 ZINC000179123458 530365481 /nfs/dbraw/zinc/36/54/81/530365481.db2.gz VDLFIBQGHRGMKV-MRVPVSSYSA-N 0 3 382.305 0.609 20 0 GCADHN CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1 ZINC000281993980 530365489 /nfs/dbraw/zinc/36/54/89/530365489.db2.gz QYZUCQJZIUXDRV-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1 ZINC000281993980 530365491 /nfs/dbraw/zinc/36/54/91/530365491.db2.gz QYZUCQJZIUXDRV-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000179727104 530366891 /nfs/dbraw/zinc/36/68/91/530366891.db2.gz RBKSNHVHPBTZOF-NSHDSACASA-N 0 3 385.262 0.687 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccnc1Br)CN1CCN(C)CC1 ZINC000179728036 530367028 /nfs/dbraw/zinc/36/70/28/530367028.db2.gz LMPCUCOUGLIAQD-GFCCVEGCSA-N 0 3 398.305 0.782 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000580073818 530332900 /nfs/dbraw/zinc/33/29/00/530332900.db2.gz VOMILEFKNOCRRP-QWRGUYRKSA-N 0 3 383.561 0.634 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)NCc2ccc(S(N)(=O)=O)s2)CCCO1 ZINC000277538653 530333156 /nfs/dbraw/zinc/33/31/56/530333156.db2.gz VGFPZLQPGRCGID-GFCCVEGCSA-N 0 3 390.531 0.696 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)NC(C)(C)C)C1 ZINC000582132917 530368182 /nfs/dbraw/zinc/36/81/82/530368182.db2.gz CGIWJFWJRQSGQS-CYBMUJFWSA-N 0 3 389.543 0.993 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)C[C@@H]2C1 ZINC000278276074 530339955 /nfs/dbraw/zinc/33/99/55/530339955.db2.gz AOYDKXQWZPHNPI-BETUJISGSA-N 0 3 385.511 0.309 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)c(C(=O)OC)s1 ZINC000278368611 530340536 /nfs/dbraw/zinc/34/05/36/530340536.db2.gz KDPKGTJHEBLSKV-AOOOYVTPSA-N 0 3 388.467 0.503 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000278847438 530344112 /nfs/dbraw/zinc/34/41/12/530344112.db2.gz QBMMVBJGXAPCKK-UHFFFAOYSA-N 0 3 377.308 0.760 20 0 GCADHN CCN1CCN(CCNC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000279144828 530345750 /nfs/dbraw/zinc/34/57/50/530345750.db2.gz CMRAQSKLADPMOR-UHFFFAOYSA-N 0 3 397.317 0.933 20 0 GCADHN CSC1(CNC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CCN(C)CC1 ZINC000589630554 530346002 /nfs/dbraw/zinc/34/60/02/530346002.db2.gz LGWTWLNRHXXFPK-ZDUSSCGKSA-N 0 3 378.564 0.537 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000562996534 530346910 /nfs/dbraw/zinc/34/69/10/530346910.db2.gz LLSDWCOUIPPCRJ-GUTXKFCHSA-N 0 3 391.559 0.395 20 0 GCADHN NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c1 ZINC000408010583 530347048 /nfs/dbraw/zinc/34/70/48/530347048.db2.gz PHVFQALFAWKAMI-UHFFFAOYSA-N 0 3 387.527 0.973 20 0 GCADHN CSC1(CNC(=O)NC2CCN(S(C)(=O)=O)CC2)CCN(C)CC1 ZINC000584324449 530348016 /nfs/dbraw/zinc/34/80/16/530348016.db2.gz PRWFCOMPNLMXMH-UHFFFAOYSA-N 0 3 378.564 0.537 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000170722376 530348262 /nfs/dbraw/zinc/34/82/62/530348262.db2.gz PSMVHFDKBNCACG-SNVBAGLBSA-N 0 3 397.277 0.493 20 0 GCADHN CC(C)N(CCCNC(=O)CN(CCO)[C@H]1CC[C@H](C)C1)S(C)(=O)=O ZINC000580261082 530349463 /nfs/dbraw/zinc/34/94/63/530349463.db2.gz RHCJWYSCVMUFGO-HOTGVXAUSA-N 0 3 377.551 0.646 20 0 GCADHN CC(C)[NH+](CCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(C)C ZINC000173609333 530352785 /nfs/dbraw/zinc/35/27/85/530352785.db2.gz UWVKACUVPHMIHR-UHFFFAOYSA-N 0 3 389.294 0.924 20 0 GCADHN CCN(CC)CC(=O)N1CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000173662927 530353067 /nfs/dbraw/zinc/35/30/67/530353067.db2.gz BPKMWMZLHOQWJT-UHFFFAOYSA-N 0 3 388.559 0.674 20 0 GCADHN C[C@H](CCN(C)C)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000580305661 530353796 /nfs/dbraw/zinc/35/37/96/530353796.db2.gz OSZPQHUJZJOQKL-CQSZACIVSA-N 0 3 391.559 0.640 20 0 GCADHN CN1CCN(CCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1(C)C ZINC000282495745 530372351 /nfs/dbraw/zinc/37/23/51/530372351.db2.gz JJDHZKKUVMCZMN-UHFFFAOYSA-N 0 3 388.921 0.743 20 0 GCADHN CO[C@H](CS(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000658379485 530373651 /nfs/dbraw/zinc/37/36/51/530373651.db2.gz PZAYNZMJEFVBNW-ZIAGYGMSSA-N 0 3 387.468 0.947 20 0 GCADHN C[C@H](N)[C@@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000669405862 530374584 /nfs/dbraw/zinc/37/45/84/530374584.db2.gz ZOUOQXHSEKHTIY-FZMZJTMJSA-N 0 3 375.878 0.871 20 0 GCADHN CCOC(=O)c1sc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)cc1C ZINC000282979414 530376318 /nfs/dbraw/zinc/37/63/18/530376318.db2.gz JMEVOTZKTJXJRQ-SECBINFHSA-N 0 3 389.455 0.579 20 0 GCADHN CN1CCC[C@H](CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000601324602 530377507 /nfs/dbraw/zinc/37/75/07/530377507.db2.gz WWVUERZHRPBPBO-HUUCEWRRSA-N 0 3 376.523 0.116 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccc(Br)cc1F ZINC000283182377 530377803 /nfs/dbraw/zinc/37/78/03/530377803.db2.gz XCMSIKJVOMVTTH-ZETCQYMHSA-N 0 3 394.222 0.934 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000283164050 530377895 /nfs/dbraw/zinc/37/78/95/530377895.db2.gz VWVMSFKZBYQVKX-SECBINFHSA-N 0 3 380.451 0.816 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000364067774 530380997 /nfs/dbraw/zinc/38/09/97/530380997.db2.gz XRZJLKKQLMDIIS-CQSZACIVSA-N 0 3 376.548 0.245 20 0 GCADHN C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)C(C)C)c(F)c2)C1 ZINC000497349994 530381810 /nfs/dbraw/zinc/38/18/10/530381810.db2.gz JOAPWVYTOMYINE-LLVKDONJSA-N 0 3 379.479 0.958 20 0 GCADHN CCN(C(=O)NCCCCN1CCN(CC)CC1)[C@H](C)CS(C)(=O)=O ZINC000497352189 530381955 /nfs/dbraw/zinc/38/19/55/530381955.db2.gz IHRDXVJPFXYCFY-MRXNPFEDSA-N 0 3 376.567 0.869 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N(C)Cc2nccn2C(F)F)CCSC1 ZINC000283861920 530382000 /nfs/dbraw/zinc/38/20/00/530382000.db2.gz BFJPDUYUGOQJKM-HNNXBMFYSA-N 0 3 375.445 0.790 20 0 GCADHN COCCN(C)CCCNC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000284070119 530383390 /nfs/dbraw/zinc/38/33/90/530383390.db2.gz NAOFRGPBHRJPNC-ZDUSSCGKSA-N 0 3 386.543 0.844 20 0 GCADHN CCN1CCN(CCCCNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC000500776000 530384231 /nfs/dbraw/zinc/38/42/31/530384231.db2.gz AJEKVOJMZPGVPY-JKSUJKDBSA-N 0 3 376.567 0.867 20 0 GCADHN COC(=O)[C@@H]1CCN(S(=O)(=O)CCCN2CCCC2)[C@@H](C(=O)OC)C1 ZINC000601387829 530384421 /nfs/dbraw/zinc/38/44/21/530384421.db2.gz GYMRZMMAWDNYQR-ZIAGYGMSSA-N 0 3 376.475 0.229 20 0 GCADHN C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000582112345 530386849 /nfs/dbraw/zinc/38/68/49/530386849.db2.gz AQFXTSPJDYLPLZ-IUODEOHRSA-N 0 3 397.317 0.598 20 0 GCADHN CCS(=O)(=O)N(C)CC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364245856 530388055 /nfs/dbraw/zinc/38/80/55/530388055.db2.gz SAHJZSSUZKFMAT-GASCZTMLSA-N 0 3 375.535 0.616 20 0 GCADHN Cn1c2ncn(CCN3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)c2c(=O)n(C)c1=O ZINC000285024726 530389234 /nfs/dbraw/zinc/38/92/34/530389234.db2.gz ZUVRSEJMQCWMEC-ZUZCIYMTSA-N 0 3 386.283 0.949 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)s1 ZINC000282383155 530370502 /nfs/dbraw/zinc/37/05/02/530370502.db2.gz CNJGHTSXPVLYGC-UHFFFAOYSA-N 0 3 388.559 0.689 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)NCc2cn3cc(Br)ccc3n2)C1 ZINC000460264414 530370987 /nfs/dbraw/zinc/37/09/87/530370987.db2.gz JKUWMQOWYGBBEC-OAHLLOKOSA-N 0 3 382.262 0.963 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000503236673 530397135 /nfs/dbraw/zinc/39/71/35/530397135.db2.gz YRUDNVJJSQQOPU-LSDHHAIUSA-N 0 3 394.607 0.047 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000590750814 530400863 /nfs/dbraw/zinc/40/08/63/530400863.db2.gz BXZNBWOTKCHZOF-NWDGAFQWSA-N 0 3 388.408 0.607 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCn1cc(Br)cn1 ZINC000286641841 530402890 /nfs/dbraw/zinc/40/28/90/530402890.db2.gz DAIIXWRUZNBXFO-ZDUSSCGKSA-N 0 3 387.326 0.971 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000364931754 530404415 /nfs/dbraw/zinc/40/44/15/530404415.db2.gz SUFKWAHVIHTAQM-ZBFHGGJFSA-N 0 3 393.575 0.546 20 0 GCADHN C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000287083720 530406134 /nfs/dbraw/zinc/40/61/34/530406134.db2.gz NLPCPQLKMWDUAH-FPIQFJIESA-N 0 3 385.555 0.960 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000591286192 530407444 /nfs/dbraw/zinc/40/74/44/530407444.db2.gz VJQDLEAMTDRSDD-GFCCVEGCSA-N 0 3 375.516 0.507 20 0 GCADHN CNC(=O)CN1CCC(N[C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000591688800 530410277 /nfs/dbraw/zinc/41/02/77/530410277.db2.gz SYDFEBXSDVHNAU-OAHLLOKOSA-N 0 3 383.290 0.776 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000592057635 530413791 /nfs/dbraw/zinc/41/37/91/530413791.db2.gz GZDWKYIIWFUODY-BBBLOLIVSA-N 0 3 375.365 0.941 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCN2CCC([NH+](C)C)CC2)s1 ZINC000288286581 530416496 /nfs/dbraw/zinc/41/64/96/530416496.db2.gz VGOKKIFSHJOIMM-UHFFFAOYSA-N 0 3 375.520 0.406 20 0 GCADHN COC(=O)[C@H]1CNCCCN1Cc1nnnn1-c1ccccc1Br ZINC000592488031 530417225 /nfs/dbraw/zinc/41/72/25/530417225.db2.gz GTOPLULCXSXTHY-CYBMUJFWSA-N 0 3 395.261 0.762 20 0 GCADHN CCCCN(C)C[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000288435825 530418165 /nfs/dbraw/zinc/41/81/65/530418165.db2.gz PZLOZMGZADHFFJ-ZDUSSCGKSA-N 0 3 377.532 0.993 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)cc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000647707230 530421676 /nfs/dbraw/zinc/42/16/76/530421676.db2.gz ZFGLWQUVESOCKP-HUUCEWRRSA-N 0 3 396.285 0.846 20 0 GCADHN CCN(C(=O)CN[C@@H](CC(=O)OC(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000594038477 530426539 /nfs/dbraw/zinc/42/65/39/530426539.db2.gz AFWBSKVHURRABH-GJZGRUSLSA-N 0 3 376.519 0.978 20 0 GCADHN CO[C@H](CN)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000289739602 530427092 /nfs/dbraw/zinc/42/70/92/530427092.db2.gz VSIMMJPIXOWAOO-CYBMUJFWSA-N 0 3 396.296 0.800 20 0 GCADHN O=C(CN1CCNCC1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000638376600 530425361 /nfs/dbraw/zinc/42/53/61/530425361.db2.gz NIHFFTDOADACNN-UHFFFAOYSA-N 0 3 381.318 0.999 20 0 GCADHN CCS(=O)(=O)N(C)CCCN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289547632 530425791 /nfs/dbraw/zinc/42/57/91/530425791.db2.gz BZNJZTQQUPJZGB-INIZCTEOSA-N 0 3 389.543 0.973 20 0 GCADHN CO[C@H](CN)C(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000289569069 530426203 /nfs/dbraw/zinc/42/62/03/530426203.db2.gz LRCSQSZIWFEBLG-LLVKDONJSA-N 0 3 385.471 0.220 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1F ZINC000594529387 530430372 /nfs/dbraw/zinc/43/03/72/530430372.db2.gz CSJWNJIDJONFRA-JTQLQIEISA-N 0 3 379.841 0.529 20 0 GCADHN 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CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000531367806 530452571 /nfs/dbraw/zinc/45/25/71/530452571.db2.gz QMRLZQUDMMZCHY-UKRRQHHQSA-N 0 3 379.548 0.533 20 0 GCADHN CN1CCN(c2cccc(Cl)c2CNC[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC000296542365 530470717 /nfs/dbraw/zinc/47/07/17/530470717.db2.gz BNBMSRHRDHKHIU-KRWDZBQOSA-N 0 3 387.933 0.731 20 0 GCADHN CN1CCN(c2cccc(Cl)c2CNC[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC000296542370 530470897 /nfs/dbraw/zinc/47/08/97/530470897.db2.gz BNBMSRHRDHKHIU-QGZVFWFLSA-N 0 3 387.933 0.731 20 0 GCADHN CCN1CCN(CCNC(=O)c2cnn(C)c2I)CC1 ZINC000294563830 530459269 /nfs/dbraw/zinc/45/92/69/530459269.db2.gz BMUIDUNSJXBPAX-UHFFFAOYSA-N 0 3 391.257 0.392 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)N[C@@H]1CCCN(CCCO)C1 ZINC000295330456 530462795 /nfs/dbraw/zinc/46/27/95/530462795.db2.gz CZRIMVXABVWCEC-LLVKDONJSA-N 0 3 388.262 0.735 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Cc1ccccc1Br ZINC000295422778 530463513 /nfs/dbraw/zinc/46/35/13/530463513.db2.gz UHGUASSXNCIRTO-SECBINFHSA-N 0 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530487200 /nfs/dbraw/zinc/48/72/00/530487200.db2.gz LPIFVTJQPIKJGD-VIFPVBQESA-N 0 3 378.214 0.211 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000299264683 530488753 /nfs/dbraw/zinc/48/87/53/530488753.db2.gz VVSMJVCEBOHBIQ-CYBMUJFWSA-N 0 3 387.527 0.522 20 0 GCADHN Cc1cc(CS(=O)(=O)C(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000299243966 530488801 /nfs/dbraw/zinc/48/88/01/530488801.db2.gz LRPMJXMLVYAIOB-WCQYABFASA-N 0 3 379.525 0.972 20 0 GCADHN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCCCN1CCCN(C)CC1 ZINC000603403346 530489505 /nfs/dbraw/zinc/48/95/05/530489505.db2.gz OTTHMWSGRHPPHW-JKSUJKDBSA-N 0 3 375.535 0.665 20 0 GCADHN O=C(NCCNc1ccncc1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000534523490 530494262 /nfs/dbraw/zinc/49/42/62/530494262.db2.gz VQQZWGZCXFRERF-AWEZNQCLSA-N 0 3 380.495 0.946 20 0 GCADHN O=C(COC1CC[NH2+]CC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000645355719 530495709 /nfs/dbraw/zinc/49/57/09/530495709.db2.gz VBZUSOXMPJAMMI-UHFFFAOYSA-N 0 3 387.527 0.786 20 0 GCADHN O=C1NC(=O)C2(CCN(C[C@H](O)COc3ccc(Br)cc3)CC2)N1 ZINC000534834950 530496625 /nfs/dbraw/zinc/49/66/25/530496625.db2.gz FHKXUHLFTQVKMX-LBPRGKRZSA-N 0 3 398.257 0.863 20 0 GCADHN COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H](C)CN ZINC000415643515 530503509 /nfs/dbraw/zinc/50/35/09/530503509.db2.gz RBGYOQNIABKASI-LURJTMIESA-N 0 3 376.182 0.777 20 0 GCADHN COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H](C)CN ZINC000415641271 530503699 /nfs/dbraw/zinc/50/36/99/530503699.db2.gz KUKCYQNEOUAHAN-LURJTMIESA-N 0 3 376.182 0.777 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@H](N)c1ccccc1)C(F)(F)F ZINC000415729907 530504230 /nfs/dbraw/zinc/50/42/30/530504230.db2.gz UZSGFKUAMWIPGO-NWDGAFQWSA-N 0 3 382.408 0.808 20 0 GCADHN COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)N(C)C1CNC1 ZINC000415728626 530504246 /nfs/dbraw/zinc/50/42/46/530504246.db2.gz AIVIKLWDUPVVNM-UHFFFAOYSA-N 0 3 388.193 0.744 20 0 GCADHN CN(C(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1)C1CNC1 ZINC000415730486 530504258 /nfs/dbraw/zinc/50/42/58/530504258.db2.gz DNBBFHGKDOAVAY-UHFFFAOYSA-N 0 3 379.218 0.399 20 0 GCADHN COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415857503 530504912 /nfs/dbraw/zinc/50/49/12/530504912.db2.gz CTVFZKCBSXLFMY-JTQLQIEISA-N 0 3 386.246 0.809 20 0 GCADHN CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415858358 530504946 /nfs/dbraw/zinc/50/49/46/530504946.db2.gz DVJQLHJGAIPTPV-LLVKDONJSA-N 0 3 386.246 0.891 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N(C)CCN)ccc1Cl ZINC000415847127 530505181 /nfs/dbraw/zinc/50/51/81/530505181.db2.gz BKYBJIGHKUZVOA-UHFFFAOYSA-N 0 3 390.893 0.726 20 0 GCADHN CN(C)C1(CNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000416307214 530506370 /nfs/dbraw/zinc/50/63/70/530506370.db2.gz JPLWZOCMLDDYAU-UHFFFAOYSA-N 0 3 376.276 0.921 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCN1C ZINC000525809918 530508060 /nfs/dbraw/zinc/50/80/60/530508060.db2.gz IXGPRKDZAMMPCJ-ILXRZTDVSA-N 0 3 376.523 0.257 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000606633277 530508395 /nfs/dbraw/zinc/50/83/95/530508395.db2.gz NGVCUDBUBJHNBB-CQSZACIVSA-N 0 3 376.523 0.258 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1 ZINC000416497156 530511047 /nfs/dbraw/zinc/51/10/47/530511047.db2.gz SCUYHYGWTAARRC-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN Cn1cc(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1C(=O)NCC(F)(F)F ZINC000416493191 530511099 /nfs/dbraw/zinc/51/10/99/530511099.db2.gz CWQCNJDCJNJCGZ-JTQLQIEISA-N 0 3 382.408 0.547 20 0 GCADHN COCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CNCCC2(F)F)c1 ZINC000638796343 530501638 /nfs/dbraw/zinc/50/16/38/530501638.db2.gz FLVWHWCBAUCSBY-CYBMUJFWSA-N 0 3 377.413 0.795 20 0 GCADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC(N(C)CCO)CC1 ZINC000330653937 530522680 /nfs/dbraw/zinc/52/26/80/530522680.db2.gz MPMYPPXSZYSRAE-UHFFFAOYSA-N 0 3 390.527 0.476 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000416563377 530512855 /nfs/dbraw/zinc/51/28/55/530512855.db2.gz YDQLHQGSMOUKNE-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@@H]1CNCCO1 ZINC000416823266 530515561 /nfs/dbraw/zinc/51/55/61/530515561.db2.gz GSPZINSFGDDWLW-LBPRGKRZSA-N 0 3 385.262 0.984 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CNCCO2)s1 ZINC000416920970 530515567 /nfs/dbraw/zinc/51/55/67/530515567.db2.gz SBWXZTAZYLHFDD-GFCCVEGCSA-N 0 3 390.531 0.566 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccoc2Br)CC1=O ZINC000425311109 530516779 /nfs/dbraw/zinc/51/67/79/530516779.db2.gz FPALBQCVENJTIZ-LLVKDONJSA-N 0 3 388.262 0.951 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ncccc2Br)CC1=O ZINC000425324400 530516980 /nfs/dbraw/zinc/51/69/80/530516980.db2.gz VYUSFWHTFDIRNH-LBPRGKRZSA-N 0 3 399.289 0.753 20 0 GCADHN COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571061249 530517910 /nfs/dbraw/zinc/51/79/10/530517910.db2.gz RJFQELWXQUEEPO-GXSJLCMTSA-N 0 3 387.845 0.059 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N[C@@H]1CCC[NH2+]C1 ZINC000236625370 530518451 /nfs/dbraw/zinc/51/84/51/530518451.db2.gz MXGKTLGNSPDNPL-MRVPVSSYSA-N 0 3 382.305 0.657 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000366315637 530518832 /nfs/dbraw/zinc/51/88/32/530518832.db2.gz RUZNNDUAOKREQV-RISCZKNCSA-N 0 3 391.490 0.960 20 0 GCADHN Cn1cc(CNCCC(=O)Nc2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000237781920 530519719 /nfs/dbraw/zinc/51/97/19/530519719.db2.gz MXIBEWGDPQQYMA-UHFFFAOYSA-N 0 3 395.257 0.965 20 0 GCADHN C[C@H]1CN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)[C@@H](C)CN1 ZINC000237753626 530519776 /nfs/dbraw/zinc/51/97/76/530519776.db2.gz VZCQXMKAOFUKJE-IUCAKERBSA-N 0 3 383.250 0.101 20 0 GCADHN [NH3+]C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000238064146 530520487 /nfs/dbraw/zinc/52/04/87/530520487.db2.gz GXLDFAWFLRNOOP-MRVPVSSYSA-N 0 3 382.305 0.642 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(OC)c(S(N)(=O)=O)s2)CC1 ZINC000531523615 530521229 /nfs/dbraw/zinc/52/12/29/530521229.db2.gz FYDMXMXIAMRCNI-NSHDSACASA-N 0 3 390.531 0.160 20 0 GCADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000531597555 530521565 /nfs/dbraw/zinc/52/15/65/530521565.db2.gz IPHDWBCJNQFLTJ-MJBXVCDLSA-N 0 3 389.543 0.979 20 0 GCADHN CCO[C@@H]1C[C@@](CO)(NC(=O)C(C)S(=O)(=O)C2CCOCC2)C1(C)C ZINC000444566479 530546342 /nfs/dbraw/zinc/54/63/42/530546342.db2.gz FRSRCEPQZALURT-MRRJBJDNSA-N 0 3 377.503 0.651 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1nc(C(F)(F)F)cs1 ZINC000572587057 530547615 /nfs/dbraw/zinc/54/76/15/530547615.db2.gz PGSJZBOINWFBDY-IUCAKERBSA-N 0 3 379.408 0.440 20 0 GCADHN COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCN1C ZINC000567861663 530549343 /nfs/dbraw/zinc/54/93/43/530549343.db2.gz MPUATIOAYQPEQF-NSHDSACASA-N 0 3 383.495 0.870 20 0 GCADHN CC(C)O[C@@H]1C[C@H](NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000567861523 530549474 /nfs/dbraw/zinc/54/94/74/530549474.db2.gz YTXOTDIWQSBGBR-RWMBFGLXSA-N 0 3 375.491 0.181 20 0 GCADHN CN1CCN(CC2(C)CCN(S(=O)(=O)CCCS(C)(=O)=O)CC2)CC1 ZINC000330833839 530525764 /nfs/dbraw/zinc/52/57/64/530525764.db2.gz HRVMAYWBKHPZER-UHFFFAOYSA-N 0 3 395.591 0.100 20 0 GCADHN Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000563443969 530526402 /nfs/dbraw/zinc/52/64/02/530526402.db2.gz ZPLRLTHWRFFBBJ-WCQYABFASA-N 0 3 388.287 0.690 20 0 GCADHN CN1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@H](CN)C1 ZINC000563521581 530526676 /nfs/dbraw/zinc/52/66/76/530526676.db2.gz YDQXZSWRUVKMLG-CQSZACIVSA-N 0 3 398.305 0.463 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366537286 530527806 /nfs/dbraw/zinc/52/78/06/530527806.db2.gz WOPKHAHGTBZFGS-IIDWOEFGSA-N 0 3 380.289 0.123 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1 ZINC000408447452 530528757 /nfs/dbraw/zinc/52/87/57/530528757.db2.gz FEQXBAKBERSZAV-KFWWJZLASA-N 0 3 381.564 0.593 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1 ZINC000408447454 530528790 /nfs/dbraw/zinc/52/87/90/530528790.db2.gz FEQXBAKBERSZAV-KKUMJFAQSA-N 0 3 381.564 0.593 20 0 GCADHN CCC1(CC)[C@H](NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC000411629755 530529089 /nfs/dbraw/zinc/52/90/89/530529089.db2.gz FFXAMAQLPXBDNU-JHJVBQTASA-N 0 3 375.491 0.183 20 0 GCADHN CCC1(CC)[C@H](NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H]1OC ZINC000411629760 530529178 /nfs/dbraw/zinc/52/91/78/530529178.db2.gz FFXAMAQLPXBDNU-XQQFMLRXSA-N 0 3 375.491 0.183 20 0 GCADHN CC(C)N(CCCNC(=O)CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)S(C)(=O)=O ZINC000412053388 530529776 /nfs/dbraw/zinc/52/97/76/530529776.db2.gz ZMZPQASDOVLYLC-XHSDSOJGSA-N 0 3 375.535 0.256 20 0 GCADHN N[C@H]1C[C@@H]2CN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CCN2C1=O ZINC000566489867 530530654 /nfs/dbraw/zinc/53/06/54/530530654.db2.gz COXXNRRRBDMZBY-KOLCDFICSA-N 0 3 378.376 0.101 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000443287087 530532061 /nfs/dbraw/zinc/53/20/61/530532061.db2.gz IVQZVXYOCDUTCQ-ZDUSSCGKSA-N 0 3 376.500 0.906 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCc2ccccc2Br)[C@@H](CN)C1 ZINC000566551808 530532110 /nfs/dbraw/zinc/53/21/10/530532110.db2.gz YHJIPTJEAADJKG-ZDUSSCGKSA-N 0 3 383.290 0.209 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)s1 ZINC000443299338 530532556 /nfs/dbraw/zinc/53/25/56/530532556.db2.gz WRPALVGAVSZXAQ-CQSZACIVSA-N 0 3 389.543 0.755 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566677753 530532705 /nfs/dbraw/zinc/53/27/05/530532705.db2.gz RYSIDXPFMVIDEH-CHWSQXEVSA-N 0 3 387.527 0.629 20 0 GCADHN CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000154028712 530538468 /nfs/dbraw/zinc/53/84/68/530538468.db2.gz FYRPTTVFIWZVCJ-AWEZNQCLSA-N 0 3 399.289 0.992 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCCNS(=O)(=O)c1ccccc1 ZINC000331146104 530539111 /nfs/dbraw/zinc/53/91/11/530539111.db2.gz AGHPCSRPZAAXIE-GJZGRUSLSA-N 0 3 375.516 0.415 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)C1(C)C ZINC000444129168 530542669 /nfs/dbraw/zinc/54/26/69/530542669.db2.gz HXLUEDAMUXAORJ-RHSMWYFYSA-N 0 3 375.535 0.791 20 0 GCADHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000445773725 530550930 /nfs/dbraw/zinc/55/09/30/530550930.db2.gz LQDIULMVDPHVTJ-ZYHUDNBSSA-N 0 3 388.877 0.560 20 0 GCADHN CN(C)C1(CN(C)C(=O)NCCS(=O)(=O)N2CCSCC2)CCC1 ZINC000446142572 530551587 /nfs/dbraw/zinc/55/15/87/530551587.db2.gz YWQDWFAOXXHRMV-UHFFFAOYSA-N 0 3 378.564 0.491 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000446476684 530552892 /nfs/dbraw/zinc/55/28/92/530552892.db2.gz QTKSIZFOGWBMEW-UHFFFAOYSA-N 0 3 384.278 0.536 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000162560749 530553163 /nfs/dbraw/zinc/55/31/63/530553163.db2.gz AQLOADZVGQDKFN-CQSZACIVSA-N 0 3 386.543 0.426 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000162560879 530553396 /nfs/dbraw/zinc/55/33/96/530553396.db2.gz AQLOADZVGQDKFN-AWEZNQCLSA-N 0 3 386.543 0.426 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000446730781 530554744 /nfs/dbraw/zinc/55/47/44/530554744.db2.gz ZVKSLWCATPGUDU-VXGBXAGGSA-N 0 3 394.540 0.790 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000460220492 530555970 /nfs/dbraw/zinc/55/59/70/530555970.db2.gz HUXYNCQBTWEBDU-INIZCTEOSA-N 0 3 376.567 0.869 20 0 GCADHN CSc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Cl ZINC000568283316 530557829 /nfs/dbraw/zinc/55/78/29/530557829.db2.gz KFUYLOBHQDJYOA-ZYHUDNBSSA-N 0 3 382.873 0.771 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000568268254 530557973 /nfs/dbraw/zinc/55/79/73/530557973.db2.gz UDYNVYZEFZBYFC-SKDRFNHKSA-N 0 3 383.202 0.741 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000447195405 530558476 /nfs/dbraw/zinc/55/84/76/530558476.db2.gz XKRGXELRFIKWOO-CQSZACIVSA-N 0 3 391.559 0.975 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1F ZINC000447242151 530559461 /nfs/dbraw/zinc/55/94/61/530559461.db2.gz FIHSRWVMTLEYRL-ZWNOBZJWSA-N 0 3 379.479 0.945 20 0 GCADHN C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000447241994 530559541 /nfs/dbraw/zinc/55/95/41/530559541.db2.gz DTSPPGFQUYJPSF-VIFPVBQESA-N 0 3 389.421 0.543 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000447248151 530559683 /nfs/dbraw/zinc/55/96/83/530559683.db2.gz SSTFWGPFFZNNSD-NEPJUHHUSA-N 0 3 391.515 0.815 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000563763262 530559815 /nfs/dbraw/zinc/55/98/15/530559815.db2.gz GYQUZCCBAOTPRO-UHFFFAOYSA-N 0 3 387.527 0.711 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000447254623 530560079 /nfs/dbraw/zinc/56/00/79/530560079.db2.gz CCNZWQJYFWNDPE-QWRGUYRKSA-N 0 3 379.479 0.945 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000447254622 530560129 /nfs/dbraw/zinc/56/01/29/530560129.db2.gz CCNZWQJYFWNDPE-MNOVXSKESA-N 0 3 379.479 0.945 20 0 GCADHN CSc1nnc(CNC(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)s1 ZINC000568553490 530561236 /nfs/dbraw/zinc/56/12/36/530561236.db2.gz QFMKMSAQRPDJCS-NSHDSACASA-N 0 3 387.531 0.493 20 0 GCADHN [NH3+]CCCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000568632599 530561243 /nfs/dbraw/zinc/56/12/43/530561243.db2.gz VRODZXZTGPUKLG-UHFFFAOYSA-N 0 3 384.683 0.846 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000673522919 530561669 /nfs/dbraw/zinc/56/16/69/530561669.db2.gz UDOWDIOTRGJOTA-VXGBXAGGSA-N 0 3 384.274 0.841 20 0 GCADHN CO[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H](C[NH3+])C1 ZINC000568763605 530563527 /nfs/dbraw/zinc/56/35/27/530563527.db2.gz XFGDKCRCPJAGQY-NXEZZACHSA-N 0 3 381.907 0.645 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCCC[C@@H]1C[C@H](C)O)S(C)(=O)=O ZINC000447829513 530564077 /nfs/dbraw/zinc/56/40/77/530564077.db2.gz GQZLRJWAMIRRKY-JKSUJKDBSA-N 0 3 377.551 0.788 20 0 GCADHN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000366819067 530564597 /nfs/dbraw/zinc/56/45/97/530564597.db2.gz CLPOQHSYUWASIE-VHSXEESVSA-N 0 3 391.852 0.720 20 0 GCADHN CCN(C(=O)[C@H](C)NCC(CC)(CC)C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000447891410 530564785 /nfs/dbraw/zinc/56/47/85/530564785.db2.gz QFJKXBQLQLWWGD-KBPBESRZSA-N 0 3 376.519 0.980 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCc3nc(C(F)(F)F)cs3)CCN2C1=O ZINC000569003379 530565713 /nfs/dbraw/zinc/56/57/13/530565713.db2.gz NEBDVEMILZOKMF-DTWKUNHWSA-N 0 3 377.392 0.658 20 0 GCADHN CN1CC[C@](O)(CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000450884847 530570654 /nfs/dbraw/zinc/57/06/54/530570654.db2.gz UDRDCYLDUODSGM-HNNXBMFYSA-N 0 3 380.246 0.826 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000450988560 530571058 /nfs/dbraw/zinc/57/10/58/530571058.db2.gz AWKYDLSTHPASNO-RKDXNWHRSA-N 0 3 381.394 0.319 20 0 GCADHN CCO[C@H]1C[C@@H](NCC(=O)NCCCN(C)S(C)(=O)=O)C12CCCC2 ZINC000450961865 530571407 /nfs/dbraw/zinc/57/14/07/530571407.db2.gz BEUPZZYNWDPFIM-CABCVRRESA-N 0 3 375.535 0.712 20 0 GCADHN COC[C@H](C)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000573794538 530583696 /nfs/dbraw/zinc/58/36/96/530583696.db2.gz VGEWKCDSTLZVIC-CYBMUJFWSA-N 0 3 378.516 0.583 20 0 GCADHN COC[C@@H](C)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000573794539 530583742 /nfs/dbraw/zinc/58/37/42/530583742.db2.gz VGEWKCDSTLZVIC-ZDUSSCGKSA-N 0 3 378.516 0.583 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000451169963 530573765 /nfs/dbraw/zinc/57/37/65/530573765.db2.gz NUMWASAEAZHGPC-BDAKNGLRSA-N 0 3 377.337 0.074 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000451169966 530574148 /nfs/dbraw/zinc/57/41/48/530574148.db2.gz NUMWASAEAZHGPC-RKDXNWHRSA-N 0 3 377.337 0.074 20 0 GCADHN CCS[C@@H]1CCC[C@@H]1NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000367015623 530574237 /nfs/dbraw/zinc/57/42/37/530574237.db2.gz LURBTOVBUGYSGW-HRCADAONSA-N 0 3 389.587 0.582 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H](C)CS(=O)(=O)CC ZINC000451189560 530574742 /nfs/dbraw/zinc/57/47/42/530574742.db2.gz WLIBJGJJFSRAAE-VHSXEESVSA-N 0 3 397.437 0.955 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C3=Cc4cc(Br)ccc4OC3)CCN2C1=O ZINC000573138033 530575804 /nfs/dbraw/zinc/57/58/04/530575804.db2.gz DNEUZRKVLSCIAV-ZIAGYGMSSA-N 0 3 392.253 0.995 20 0 GCADHN C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000367064261 530575927 /nfs/dbraw/zinc/57/59/27/530575927.db2.gz BDMBPWXQRONGEL-UWVGGRQHSA-N 0 3 383.442 0.518 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H](CC(=O)OC)C1 ZINC000451282664 530576157 /nfs/dbraw/zinc/57/61/57/530576157.db2.gz CWVWGSUYPLQESO-UWVGGRQHSA-N 0 3 391.364 0.464 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1C[NH2+]CCCO1 ZINC000573251119 530577397 /nfs/dbraw/zinc/57/73/97/530577397.db2.gz XRUYMEZUVQDNTH-SNVBAGLBSA-N 0 3 396.296 0.766 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000573255450 530577709 /nfs/dbraw/zinc/57/77/09/530577709.db2.gz VPBMKJQMUFZICO-CYBMUJFWSA-N 0 3 376.523 0.209 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC000451375781 530578851 /nfs/dbraw/zinc/57/88/51/530578851.db2.gz LAQUCWOLFGJAAF-YUMQZZPRSA-N 0 3 378.394 0.103 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CCO)C1CCOCC1 ZINC000451433544 530580599 /nfs/dbraw/zinc/58/05/99/530580599.db2.gz NIJYMRNDNAMPMD-LLVKDONJSA-N 0 3 377.381 0.674 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000451433958 530580784 /nfs/dbraw/zinc/58/07/84/530580784.db2.gz NVHIZYAWTJQMLO-MNOVXSKESA-N 0 3 376.397 0.199 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000573496116 530581115 /nfs/dbraw/zinc/58/11/15/530581115.db2.gz PCEJQXPXNROEQE-CQSZACIVSA-N 0 3 390.575 0.681 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC000451459296 530581346 /nfs/dbraw/zinc/58/13/46/530581346.db2.gz NNXKSBAZLPVQOT-GHMZBOCLSA-N 0 3 386.392 0.897 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000451476781 530582267 /nfs/dbraw/zinc/58/22/67/530582267.db2.gz GAAIBWGKZWYVKF-VXGBXAGGSA-N 0 3 390.424 0.853 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1Br ZINC000573651884 530582455 /nfs/dbraw/zinc/58/24/55/530582455.db2.gz NVAXYDWAVFTPBG-HNNXBMFYSA-N 0 3 386.246 0.579 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1Br ZINC000573651894 530582503 /nfs/dbraw/zinc/58/25/03/530582503.db2.gz NVAXYDWAVFTPBG-OAHLLOKOSA-N 0 3 386.246 0.579 20 0 GCADHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000445773722 530551147 /nfs/dbraw/zinc/55/11/47/530551147.db2.gz LQDIULMVDPHVTJ-JQWIXIFHSA-N 0 3 388.877 0.560 20 0 GCADHN CCC[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCNCC2)CCN1CCOC ZINC000567981672 530551497 /nfs/dbraw/zinc/55/14/97/530551497.db2.gz TZKDABUECIEBEY-HNNXBMFYSA-N 0 3 375.535 0.113 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)Cc3cccc(Br)c3)CCN2C1=O ZINC000577005878 530614881 /nfs/dbraw/zinc/61/48/81/530614881.db2.gz IDLCBDNJYDQJGG-OLZOCXBDSA-N 0 3 388.287 0.523 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCNc3ncc(Cl)cc3Cl)CCN2C1=O ZINC000574466479 530591962 /nfs/dbraw/zinc/59/19/62/530591962.db2.gz HHHPSEJFKAKGBL-PWSUYJOCSA-N 0 3 387.271 0.754 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ncc(Br)cn1 ZINC000574771908 530594716 /nfs/dbraw/zinc/59/47/16/530594716.db2.gz XXAXRFZEHFJKBD-INTQDDNPSA-N 0 3 383.250 0.254 20 0 GCADHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000536643395 530594846 /nfs/dbraw/zinc/59/48/46/530594846.db2.gz QJLVOQPQZIZJMP-CABCVRRESA-N 0 3 375.535 1.000 20 0 GCADHN CC[C@H]1CCCN(C(C)(C)CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000536643398 530594875 /nfs/dbraw/zinc/59/48/75/530594875.db2.gz QJLVOQPQZIZJMP-LSDHHAIUSA-N 0 3 375.535 1.000 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NCC1=CC[NH2+]CC1 ZINC000417921181 530595431 /nfs/dbraw/zinc/59/54/31/530595431.db2.gz DCORXFJFUAGRDP-UHFFFAOYSA-N 0 3 378.907 0.899 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3OC(F)F)CCN2C1=O ZINC000580572343 530615209 /nfs/dbraw/zinc/61/52/09/530615209.db2.gz SXHGKFDEMAPAIM-ZJUUUORDSA-N 0 3 379.360 0.360 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cccc3c2OC(F)(F)O3)CC1 ZINC000575155833 530598178 /nfs/dbraw/zinc/59/81/78/530598178.db2.gz FJTMHUGPEWCNHH-UHFFFAOYSA-N 0 3 377.413 0.924 20 0 GCADHN CC(C)N(CCCNC(=O)CN(C)[C@@H]1CCN(C(C)C)C1)S(C)(=O)=O ZINC000452112333 530599783 /nfs/dbraw/zinc/59/97/83/530599783.db2.gz FYKNRPXMGTYLOS-MRXNPFEDSA-N 0 3 376.567 0.577 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000519813140 530600924 /nfs/dbraw/zinc/60/09/24/530600924.db2.gz GWNWBNLAVQDLMN-WDEREUQCSA-N 0 3 376.429 0.635 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c(OC)c1 ZINC000519763829 530601260 /nfs/dbraw/zinc/60/12/60/530601260.db2.gz DXRNKESEIQWGLV-UHFFFAOYSA-N 0 3 391.515 0.959 20 0 GCADHN CN1CCN(CCCCNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000098035797 530603227 /nfs/dbraw/zinc/60/32/27/530603227.db2.gz ZZWJVZCXZUCZET-UHFFFAOYSA-N 0 3 396.293 0.644 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)N[C@H]1CCCN(CCCO)C1 ZINC000452384077 530603239 /nfs/dbraw/zinc/60/32/39/530603239.db2.gz PYWUSFICXYBSSZ-AWEZNQCLSA-N 0 3 386.290 0.964 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3COc4ccc(Br)cc43)CCN2C1=O ZINC000576003651 530604307 /nfs/dbraw/zinc/60/43/07/530604307.db2.gz BGOKKBZRPGAXHZ-CYZMBNFOSA-N 0 3 380.242 0.696 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CCN2C1=O ZINC000580580673 530615586 /nfs/dbraw/zinc/61/55/86/530615586.db2.gz FPGMLZFJFRNWKU-ONGXEEELSA-N 0 3 387.845 0.044 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CCN1C[C@@H](C)O ZINC000329184757 530607883 /nfs/dbraw/zinc/60/78/83/530607883.db2.gz GDEGHEJISKWFGI-QLFBSQMISA-N 0 3 376.519 0.272 20 0 GCADHN Cc1ccc(F)c(Br)c1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000453571479 530608080 /nfs/dbraw/zinc/60/80/80/530608080.db2.gz MLIQCJCSTXJYTA-VIFPVBQESA-N 0 3 376.226 0.874 20 0 GCADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)ncc1I ZINC000453739615 530608603 /nfs/dbraw/zinc/60/86/03/530608603.db2.gz BPHKTNLGGNOVJS-VIFPVBQESA-N 0 3 390.225 0.999 20 0 GCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266239491 530612616 /nfs/dbraw/zinc/61/26/16/530612616.db2.gz VVBWGFRLFSOBEX-CJNGLKHVSA-N 0 3 389.543 0.898 20 0 GCADHN O=S1(=O)CCO[C@H](CNC[C@H](O)COc2ccc(Br)cc2)C1 ZINC000576864084 530613139 /nfs/dbraw/zinc/61/31/39/530613139.db2.gz PRWODYHGQCLXDC-GXTWGEPZSA-N 0 3 394.287 0.592 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)CCN2C1=O ZINC000576957491 530614171 /nfs/dbraw/zinc/61/41/71/530614171.db2.gz ODIYEZLCKDIJKN-GXSJLCMTSA-N 0 3 392.250 0.521 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1CCOC ZINC000451562033 530585077 /nfs/dbraw/zinc/58/50/77/530585077.db2.gz DSEBJVRUWLSQAV-MNOVXSKESA-N 0 3 377.381 0.938 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000573905311 530585201 /nfs/dbraw/zinc/58/52/01/530585201.db2.gz KKSYMQRHEXYXSH-WDEREUQCSA-N 0 3 392.934 0.931 20 0 GCADHN CC(C)[C@H](CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1)N1CCCCCC1 ZINC000535797996 530585381 /nfs/dbraw/zinc/58/53/81/530585381.db2.gz NCRFOCLAQNJIGB-CVEARBPZSA-N 0 3 375.535 1.000 20 0 GCADHN CC(C)[C@H](CNC(=O)NC[C@H]1CS(=O)(=O)CCO1)N1CCCCCC1 ZINC000535797997 530585795 /nfs/dbraw/zinc/58/57/95/530585795.db2.gz NCRFOCLAQNJIGB-HOTGVXAUSA-N 0 3 375.535 1.000 20 0 GCADHN COc1ccc(Br)c(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000577734992 530623816 /nfs/dbraw/zinc/62/38/16/530623816.db2.gz RCEMEQBUWRFIPJ-SNVBAGLBSA-N 0 3 378.292 0.721 20 0 GCADHN CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)CC1 ZINC000330036973 530624449 /nfs/dbraw/zinc/62/44/49/530624449.db2.gz CXBOOVKSRFANIS-HUUCEWRRSA-N 0 3 379.548 0.204 20 0 GCADHN CC(C)[C@@H](CNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)N1CCC(C)CC1 ZINC000457672361 530624642 /nfs/dbraw/zinc/62/46/42/530624642.db2.gz BZZUBJQLQZBAFR-WBVHZDCISA-N 0 3 375.535 0.592 20 0 GCADHN CC(C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000330063927 530625487 /nfs/dbraw/zinc/62/54/87/530625487.db2.gz QMJYIPJYGCJGCJ-SUMWQHHRSA-N 0 3 375.487 0.765 20 0 GCADHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330138464 530627300 /nfs/dbraw/zinc/62/73/00/530627300.db2.gz IIDFKFHPIYGFEL-HNNXBMFYSA-N 0 3 381.564 0.261 20 0 GCADHN CCN(CC)C(=O)[C@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330147887 530627942 /nfs/dbraw/zinc/62/79/42/530627942.db2.gz LYHBLEMOOHWSBE-TZMCWYRMSA-N 0 3 392.543 0.739 20 0 GCADHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000330163766 530628660 /nfs/dbraw/zinc/62/86/60/530628660.db2.gz SSNXZHVUYYLXAL-CVEARBPZSA-N 0 3 393.575 0.404 20 0 GCADHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000330163768 530628746 /nfs/dbraw/zinc/62/87/46/530628746.db2.gz SSNXZHVUYYLXAL-HZPDHXFCSA-N 0 3 393.575 0.404 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCN1CC[C@H](O)C1 ZINC000629910326 530629552 /nfs/dbraw/zinc/62/95/52/530629552.db2.gz HYAKJFWACQFEQF-JTQLQIEISA-N 0 3 396.296 0.455 20 0 GCADHN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCCN1CC[C@H](O)C1 ZINC000629910326 530629553 /nfs/dbraw/zinc/62/95/53/530629553.db2.gz HYAKJFWACQFEQF-JTQLQIEISA-N 0 3 396.296 0.455 20 0 GCADHN CC[C@H]1CCCN(C(C)(C)CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC000458382262 530631163 /nfs/dbraw/zinc/63/11/63/530631163.db2.gz QXWSQMMDBJOOIO-WMLDXEAASA-N 0 3 375.535 0.736 20 0 GCADHN Cn1cc(I)c(CNC(=O)N2CCCN(C)CC2)n1 ZINC000331470307 530632568 /nfs/dbraw/zinc/63/25/68/530632568.db2.gz CFSJRIAWFJTDOU-UHFFFAOYSA-N 0 3 377.230 0.872 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)NCCn1cc(Br)ccc1=O ZINC000458928836 530634458 /nfs/dbraw/zinc/63/44/58/530634458.db2.gz SAPCCMPBMPNIRJ-CQSZACIVSA-N 0 3 375.267 0.223 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000331698043 530636188 /nfs/dbraw/zinc/63/61/88/530636188.db2.gz VBZNWFWACKMVSL-JQWIXIFHSA-N 0 3 375.365 0.692 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC000331698041 530636224 /nfs/dbraw/zinc/63/62/24/530636224.db2.gz VBZNWFWACKMVSL-CMPLNLGQSA-N 0 3 375.365 0.692 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000331829547 530637137 /nfs/dbraw/zinc/63/71/37/530637137.db2.gz DGNDQTKRURUJJG-UIBAUYSRSA-N 0 3 379.422 0.901 20 0 GCADHN CO[C@@H]1C[C@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C12CCC2 ZINC000459752355 530638528 /nfs/dbraw/zinc/63/85/28/530638528.db2.gz ILCVLVLEJCRQCY-LSDHHAIUSA-N 0 3 375.535 0.710 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000332021910 530638986 /nfs/dbraw/zinc/63/89/86/530638986.db2.gz ZJVWYGJREMLVAO-LLVKDONJSA-N 0 3 396.293 0.643 20 0 GCADHN C[C@H](NCCCN(C)S(C)(=O)=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627487 530641365 /nfs/dbraw/zinc/64/13/65/530641365.db2.gz MWDYLYZVTHCQCT-ZDUSSCGKSA-N 0 3 377.532 0.869 20 0 GCADHN CN(CCNC(=O)c1cc(S(N)(=O)=O)ccc1Br)C1CC1 ZINC000066924291 530642858 /nfs/dbraw/zinc/64/28/58/530642858.db2.gz BMVRVFMZPVIFSE-UHFFFAOYSA-N 0 3 376.276 0.921 20 0 GCADHN C[NH+](C)CCCC(C)(C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000456211150 530618171 /nfs/dbraw/zinc/61/81/71/530618171.db2.gz XPUOEZXLDYPNSO-UHFFFAOYSA-N 0 3 375.267 0.948 20 0 GCADHN [NH3+]CCc1nc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cs1 ZINC000577397012 530619814 /nfs/dbraw/zinc/61/98/14/530619814.db2.gz ZTOFEBCVLFPJFI-UHFFFAOYSA-N 0 3 390.437 0.631 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c(OC)c1 ZINC000577505827 530621220 /nfs/dbraw/zinc/62/12/20/530621220.db2.gz KXTONKYHTOLGAW-NWDGAFQWSA-N 0 3 391.515 0.957 20 0 GCADHN CS[C@H]1CN(C(=O)CSCC(=O)N2CCOCC2)C[C@H]1N1CCCC1 ZINC000329799587 530621595 /nfs/dbraw/zinc/62/15/95/530621595.db2.gz XXUJGVNVEOWISN-CABCVRRESA-N 0 3 387.571 0.617 20 0 GCADHN CCN1CCC(NC(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000577534906 530621659 /nfs/dbraw/zinc/62/16/59/530621659.db2.gz GQHSQEOOPKPYRN-OAHLLOKOSA-N 0 3 375.539 0.431 20 0 GCADHN C[C@H](O)C[C@@H]1CCCCCN1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639640466 530680458 /nfs/dbraw/zinc/68/04/58/530680458.db2.gz DPWJMURVCSJDCY-HOCLYGCPSA-N 0 3 375.535 0.542 20 0 GCADHN CC[C@@H](C)[C@H](NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000468755202 530682442 /nfs/dbraw/zinc/68/24/42/530682442.db2.gz AEGWTJBGUZNUBI-DOMZBBRYSA-N 0 3 377.507 0.046 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000332357478 530645035 /nfs/dbraw/zinc/64/50/35/530645035.db2.gz WSNPTHVWCNCSDU-MRXNPFEDSA-N 0 3 375.535 0.761 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC[N@@H+](C)C(C)C)s1 ZINC000462098360 530648411 /nfs/dbraw/zinc/64/84/11/530648411.db2.gz OZFKNHGWFQBGJG-UHFFFAOYSA-N 0 3 390.531 0.119 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC[N@H+](C)C(C)C)s1 ZINC000462098360 530648415 /nfs/dbraw/zinc/64/84/15/530648415.db2.gz OZFKNHGWFQBGJG-UHFFFAOYSA-N 0 3 390.531 0.119 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)C2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000332593126 530648906 /nfs/dbraw/zinc/64/89/06/530648906.db2.gz HDGDHAOWCADMDQ-HUUCEWRRSA-N 0 3 375.535 0.664 20 0 GCADHN COCCN(C(=O)NCC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000462508522 530651781 /nfs/dbraw/zinc/65/17/81/530651781.db2.gz CIFOICKAFRMFNW-AWEZNQCLSA-N 0 3 393.575 0.659 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000332689951 530652561 /nfs/dbraw/zinc/65/25/61/530652561.db2.gz QAKFVBCEUVZLFB-OUAUKWLOSA-N 0 3 386.392 0.943 20 0 GCADHN CC(C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000333015646 530653806 /nfs/dbraw/zinc/65/38/06/530653806.db2.gz CAIJVECNIDIDCG-ZIAGYGMSSA-N 0 3 376.519 0.272 20 0 GCADHN O=C1NC(=O)[C@@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]12 ZINC000333030084 530654160 /nfs/dbraw/zinc/65/41/60/530654160.db2.gz BPNHDRLQQNWUAM-FRRDWIJNSA-N 0 3 378.226 0.759 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)CC1 ZINC000333092111 530654536 /nfs/dbraw/zinc/65/45/36/530654536.db2.gz ZRUVPEKPOYTJHW-UHFFFAOYSA-N 0 3 386.909 0.607 20 0 GCADHN CN(C)[C@]1(CNC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCSC1 ZINC000333099736 530654683 /nfs/dbraw/zinc/65/46/83/530654683.db2.gz COAIRZJAGXDRCA-ZBFHGGJFSA-N 0 3 390.575 0.633 20 0 GCADHN O=C1NC(=O)[C@]2(CCCN(C[C@H](O)COc3ccc(Br)cc3)C2)N1 ZINC000333197635 530656204 /nfs/dbraw/zinc/65/62/04/530656204.db2.gz XVPYHXMSUKFGAX-BLLLJJGKSA-N 0 3 398.257 0.863 20 0 GCADHN CCCCN(C)CCNC(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000463369509 530657965 /nfs/dbraw/zinc/65/79/65/530657965.db2.gz SWAZZLYKUSGBRU-AWEZNQCLSA-N 0 3 376.523 0.053 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)Nc3cc(Br)c(=O)n(C)c3)C[C@H]2N)cn1 ZINC000333467441 530659120 /nfs/dbraw/zinc/65/91/20/530659120.db2.gz HRSCHDLGSYHULY-WCQYABFASA-N 0 3 395.261 0.840 20 0 GCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000333503926 530659922 /nfs/dbraw/zinc/65/99/22/530659922.db2.gz OHFFDEFWACBHOD-KGLIPLIRSA-N 0 3 378.564 0.347 20 0 GCADHN CC(C(=O)N1CCN(CC(C)(C)O)C[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000333503906 530660133 /nfs/dbraw/zinc/66/01/33/530660133.db2.gz OGQQKLKIXGULOK-KGLIPLIRSA-N 0 3 376.519 0.272 20 0 GCADHN CN1CCC[C@]2(CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)C2)C1 ZINC000333792487 530663228 /nfs/dbraw/zinc/66/32/28/530663228.db2.gz XZNRNXOXSCPJKX-INIZCTEOSA-N 0 3 390.575 0.492 20 0 GCADHN CN(C)CCN(CCN(C)C)C(=O)CCn1cc(Br)ccc1=O ZINC000103212783 530666558 /nfs/dbraw/zinc/66/65/58/530666558.db2.gz VMWNKLWGDFZBLJ-UHFFFAOYSA-N 0 3 387.322 0.953 20 0 GCADHN COC(=O)CC1(NCC(=O)NCCCN(C)S(C)(=O)=O)CCCCC1 ZINC000532721521 530672292 /nfs/dbraw/zinc/67/22/92/530672292.db2.gz IMMKFGVIWCZNEJ-UHFFFAOYSA-N 0 3 377.507 0.240 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1CCC[NH2+]CC1 ZINC000669579911 530674669 /nfs/dbraw/zinc/67/46/69/530674669.db2.gz ANTRALKLUPQQKB-LBPRGKRZSA-N 0 3 376.429 0.684 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCCCCN1CCN(CC)CC1 ZINC000467551961 530675185 /nfs/dbraw/zinc/67/51/85/530675185.db2.gz COLOVYHRRWGMKC-JKSUJKDBSA-N 0 3 376.567 0.484 20 0 GCADHN Cc1nc(SCC(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)n[nH]1 ZINC000467647439 530676222 /nfs/dbraw/zinc/67/62/22/530676222.db2.gz VDPCZKNKFXDQEF-LBPRGKRZSA-N 0 3 375.520 0.173 20 0 GCADHN Cc1nnc(SCC(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000467647439 530676223 /nfs/dbraw/zinc/67/62/23/530676223.db2.gz VDPCZKNKFXDQEF-LBPRGKRZSA-N 0 3 375.520 0.173 20 0 GCADHN COCCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CC[C@@H](C)C1 ZINC000639611027 530679426 /nfs/dbraw/zinc/67/94/26/530679426.db2.gz ONFULWZHHSOWFO-ZBFHGGJFSA-N 0 3 375.535 0.664 20 0 GCADHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000468421039 530679652 /nfs/dbraw/zinc/67/96/52/530679652.db2.gz VFCNEUPBUWMAOH-KFWWJZLASA-N 0 3 383.580 0.554 20 0 GCADHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000468421041 530679788 /nfs/dbraw/zinc/67/97/88/530679788.db2.gz VFCNEUPBUWMAOH-RBSFLKMASA-N 0 3 383.580 0.554 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000648099944 530685061 /nfs/dbraw/zinc/68/50/61/530685061.db2.gz LYLGRBNAMDJNOV-ZDUSSCGKSA-N 0 3 383.461 0.130 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC2(N(C)C)CCOCC2)C1 ZINC000609916862 530685078 /nfs/dbraw/zinc/68/50/78/530685078.db2.gz KFUYBSUJRAZZLG-CQSZACIVSA-N 0 3 377.507 0.207 20 0 GCADHN C[C@@H](c1cccc(Cl)c1)n1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000640992612 530693506 /nfs/dbraw/zinc/69/35/06/530693506.db2.gz XDFLAWRMLWJISA-LBPRGKRZSA-N 0 3 384.893 0.780 20 0 GCADHN CCN(CCO)CCNC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000470297052 530693567 /nfs/dbraw/zinc/69/35/67/530693567.db2.gz NZXKXQYTHQKHLD-UHFFFAOYSA-N 0 3 378.539 0.050 20 0 GCADHN CCN(CCO)CCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000470590584 530695487 /nfs/dbraw/zinc/69/54/87/530695487.db2.gz IQSLMYIVQPFUPF-UHFFFAOYSA-N 0 3 377.894 0.439 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N(C)CCC(=O)OC ZINC000470764006 530696139 /nfs/dbraw/zinc/69/61/39/530696139.db2.gz DUAWMDTYCCHJDL-OAHLLOKOSA-N 0 3 378.539 0.074 20 0 GCADHN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000472296479 530704054 /nfs/dbraw/zinc/70/40/54/530704054.db2.gz JYGAWBUHUNDNDM-GFCCVEGCSA-N 0 3 396.506 0.864 20 0 GCADHN O=C(CNC(=O)[C@H]1CN2CCN1CCC2)Nc1ccc(Br)cc1 ZINC000362075038 530705177 /nfs/dbraw/zinc/70/51/77/530705177.db2.gz CAWLADGYNUUZNE-CQSZACIVSA-N 0 3 381.274 0.894 20 0 GCADHN COCCCS(=O)(=O)NCCN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000362853708 530707864 /nfs/dbraw/zinc/70/78/64/530707864.db2.gz VEOVRZUQBWEQNI-QGZVFWFLSA-N 0 3 376.567 0.043 20 0 GCADHN CCS[C@@H]1CCC[C@H]1NCC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000503460664 530709750 /nfs/dbraw/zinc/70/97/50/530709750.db2.gz KHSKMGHEYBGKPV-RBSFLKMASA-N 0 3 378.560 0.912 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1nc2ncc(Br)cn2n1 ZINC000363105236 530710320 /nfs/dbraw/zinc/71/03/20/530710320.db2.gz UQEMKRVXPXJRHB-MNOVXSKESA-N 0 3 381.234 0.480 20 0 GCADHN C[NH+](C)CCOC1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000498335504 530710431 /nfs/dbraw/zinc/71/04/31/530710431.db2.gz NSEVQUHFFCXWHT-UHFFFAOYSA-N 0 3 375.516 0.596 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000473273471 530710753 /nfs/dbraw/zinc/71/07/53/530710753.db2.gz QUAIXYXYPCZUQS-MRXNPFEDSA-N 0 3 375.466 0.313 20 0 GCADHN Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000473251064 530711063 /nfs/dbraw/zinc/71/10/63/530711063.db2.gz UBWSJDLMNASBQB-VIFPVBQESA-N 0 3 376.226 0.874 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000473284881 530711120 /nfs/dbraw/zinc/71/11/20/530711120.db2.gz VPJQOYGQWJRPJK-INIZCTEOSA-N 0 3 389.543 0.965 20 0 GCADHN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000367831687 530716900 /nfs/dbraw/zinc/71/69/00/530716900.db2.gz JUWVWUHESOZJKO-STQMWFEESA-N 0 3 394.490 0.478 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000648099943 530684944 /nfs/dbraw/zinc/68/49/44/530684944.db2.gz LYLGRBNAMDJNOV-CYBMUJFWSA-N 0 3 383.461 0.130 20 0 GCADHN CCO[C@@H]1C[C@@](O)(CNC(=O)C(C)S(=O)(=O)C2CCOCC2)C1(C)C ZINC000476850711 530736469 /nfs/dbraw/zinc/73/64/69/530736469.db2.gz KBANPYQTQRLRSN-SUYBPPKGSA-N 0 3 377.503 0.651 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000370080756 530738125 /nfs/dbraw/zinc/73/81/25/530738125.db2.gz GUXARSAKOBIXDH-OAHLLOKOSA-N 0 3 381.564 0.548 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1F ZINC000370100813 530738155 /nfs/dbraw/zinc/73/81/55/530738155.db2.gz HYBYWCQQRNEUMQ-IINYFYTJSA-N 0 3 377.463 0.570 20 0 GCADHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641393422 530738378 /nfs/dbraw/zinc/73/83/78/530738378.db2.gz NXOPIHGGSRRIED-LBPRGKRZSA-N 0 3 392.279 0.083 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3sccc3Br)CCN2C1=O ZINC000579130932 530738441 /nfs/dbraw/zinc/73/84/41/530738441.db2.gz WBBGOFTVFXCVHH-APPZFPTMSA-N 0 3 380.289 0.443 20 0 GCADHN COC[C@H](CS(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1)OC ZINC000641399380 530739248 /nfs/dbraw/zinc/73/92/48/530739248.db2.gz CUBMNNNWQXNXKR-QGZVFWFLSA-N 0 3 377.551 0.468 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)C2(S(C)(=O)=O)CCNCC2)C[C@@H](C)O1 ZINC000579236040 530740015 /nfs/dbraw/zinc/74/00/15/530740015.db2.gz STDZUZBTUCAXAS-HUUCEWRRSA-N 0 3 375.535 0.159 20 0 GCADHN CN1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)[C@H](CN)C1 ZINC000579350931 530741524 /nfs/dbraw/zinc/74/15/24/530741524.db2.gz ABEWDJDCIUINMO-CABCVRRESA-N 0 3 395.301 0.903 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C2CC([NH3+])C2)c(OC)c1 ZINC000579353756 530741595 /nfs/dbraw/zinc/74/15/95/530741595.db2.gz IDONCQUKDKQLNB-UHFFFAOYSA-N 0 3 377.488 0.567 20 0 GCADHN O=C(NCCNC[C@H](O)COc1ccc(Br)cc1)c1cnccn1 ZINC000579464419 530742803 /nfs/dbraw/zinc/74/28/03/530742803.db2.gz QIISIWIKDDHSQU-ZDUSSCGKSA-N 0 3 395.257 0.998 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000475474845 530725174 /nfs/dbraw/zinc/72/51/74/530725174.db2.gz XXZGJGRBIXSFGY-INIZCTEOSA-N 0 3 375.535 0.111 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CCN2C1=O ZINC000578144445 530727011 /nfs/dbraw/zinc/72/70/11/530727011.db2.gz UHDKAARZIBDZNL-CHWSQXEVSA-N 0 3 377.388 0.779 20 0 GCADHN COC[C@H](CS(=O)(=O)NCC1(N2CCC(OC)CC2)CCCC1)OC ZINC000641322556 530727040 /nfs/dbraw/zinc/72/70/40/530727040.db2.gz VGSKFJCJOKZLDD-MRXNPFEDSA-N 0 3 378.535 0.991 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CCN2C1=O ZINC000578144446 530727255 /nfs/dbraw/zinc/72/72/55/530727255.db2.gz UHDKAARZIBDZNL-OLZOCXBDSA-N 0 3 377.388 0.779 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000368976723 530728001 /nfs/dbraw/zinc/72/80/01/530728001.db2.gz YKRPYJCKDDHXDU-CHWSQXEVSA-N 0 3 375.516 0.330 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC[C@@H](O)COCc1ccccc1Cl ZINC000578187564 530728016 /nfs/dbraw/zinc/72/80/16/530728016.db2.gz JFUSXPSNDMVCCW-CQSZACIVSA-N 0 3 379.910 0.640 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]1CNCCO1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000578434329 530731202 /nfs/dbraw/zinc/73/12/02/530731202.db2.gz OSBOZPRSUMJSBY-ONGXEEELSA-N 0 3 396.241 0.538 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000476453814 530733155 /nfs/dbraw/zinc/73/31/55/530733155.db2.gz AAJDUDFFRZZYHG-KBPBESRZSA-N 0 3 389.543 0.624 20 0 GCADHN CC(C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1)S(C)(=O)=O ZINC000476456888 530733226 /nfs/dbraw/zinc/73/32/26/530733226.db2.gz ZWXORPFDQAFEBK-JTQLQIEISA-N 0 3 378.447 0.415 20 0 GCADHN CS[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1N(C)C ZINC000476452574 530733400 /nfs/dbraw/zinc/73/34/00/530733400.db2.gz PJUCSKAKJBHSBB-HOTGVXAUSA-N 0 3 385.555 0.983 20 0 GCADHN CCN1CCC[C@H](NC(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)C1 ZINC000578671042 530733955 /nfs/dbraw/zinc/73/39/55/530733955.db2.gz PDGSLEJLJIUDCS-GJZGRUSLSA-N 0 3 375.539 0.431 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)NC[C@H]1CCC[NH2+]1 ZINC000418163686 530750436 /nfs/dbraw/zinc/75/04/36/530750436.db2.gz GZUZGSNDVUZKKL-LLVKDONJSA-N 0 3 378.857 0.809 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1Br ZINC000580785075 530750513 /nfs/dbraw/zinc/75/05/13/530750513.db2.gz NLPAXDAFNKBGTN-GXFFZTMASA-N 0 3 388.287 0.690 20 0 GCADHN C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418174380 530751378 /nfs/dbraw/zinc/75/13/78/530751378.db2.gz RGXOWEAMWHOUPZ-LBPRGKRZSA-N 0 3 376.429 0.637 20 0 GCADHN COCC[NH2+]CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418175198 530751424 /nfs/dbraw/zinc/75/14/24/530751424.db2.gz SJOSGVPQDMKHMH-UHFFFAOYSA-N 0 3 396.872 0.293 20 0 GCADHN [NH3+][C@@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418171318 530751494 /nfs/dbraw/zinc/75/14/94/530751494.db2.gz NYNZIFGOQVFTIC-LLVKDONJSA-N 0 3 378.857 0.890 20 0 GCADHN CC(C)(CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CN1CCCC1 ZINC000580868297 530751804 /nfs/dbraw/zinc/75/18/04/530751804.db2.gz GLTDJRWCMBKXIN-UHFFFAOYSA-N 0 3 375.516 0.734 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCCn1cccc1 ZINC000580888136 530752043 /nfs/dbraw/zinc/75/20/43/530752043.db2.gz HIDZNXFCVATCEU-UHFFFAOYSA-N 0 3 385.511 0.802 20 0 GCADHN [NH3+]C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000418170776 530752320 /nfs/dbraw/zinc/75/23/20/530752320.db2.gz NLUCZVXFVPVQAC-LBPRGKRZSA-N 0 3 378.857 0.794 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(Br)c1 ZINC000580963206 530752395 /nfs/dbraw/zinc/75/23/95/530752395.db2.gz MPACUXALOOCUNH-PWSUYJOCSA-N 0 3 388.287 0.690 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NCC[C@@H]1CC[NH2+]C1 ZINC000418181171 530752414 /nfs/dbraw/zinc/75/24/14/530752414.db2.gz ZIQYOCXVDVZDRZ-NSHDSACASA-N 0 3 376.429 0.542 20 0 GCADHN CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000580930256 530752522 /nfs/dbraw/zinc/75/25/22/530752522.db2.gz JSHOYQDJBKWJSK-HNNXBMFYSA-N 0 3 375.516 0.451 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)CCOc3cccc(Br)c3)CCN2C1=O ZINC000581141867 530754943 /nfs/dbraw/zinc/75/49/43/530754943.db2.gz CMAULSNPXQYUTK-TZMCWYRMSA-N 0 3 382.258 0.988 20 0 GCADHN C[C@@H]1CN(C(=O)NCc2nn(C)cc2I)[C@@H](C)CN1 ZINC000418243554 530755531 /nfs/dbraw/zinc/75/55/31/530755531.db2.gz AJQJOYNMPXQRBR-BDAKNGLRSA-N 0 3 377.230 0.917 20 0 GCADHN CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000479287324 530756936 /nfs/dbraw/zinc/75/69/36/530756936.db2.gz SENQLAKBSCIITQ-NSHDSACASA-N 0 3 388.262 0.825 20 0 GCADHN C[C@@H]1[C@H](C)NCCN1C(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000581430348 530757919 /nfs/dbraw/zinc/75/79/19/530757919.db2.gz ZQSYEPYWYJKTAI-WDEREUQCSA-N 0 3 390.303 0.936 20 0 GCADHN Cc1cc(CNCCN2CCN(S(C)(=O)=O)CC2)ncc1Br ZINC000623402656 530759237 /nfs/dbraw/zinc/75/92/37/530759237.db2.gz STMXWRRZVUPCFI-UHFFFAOYSA-N 0 3 391.335 0.819 20 0 GCADHN COCCCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000641600386 530760027 /nfs/dbraw/zinc/76/00/27/530760027.db2.gz LOVFNUBUJIODNT-CVEARBPZSA-N 0 3 377.551 0.910 20 0 GCADHN CC[C@H](CS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1)OC ZINC000641599852 530761196 /nfs/dbraw/zinc/76/11/96/530761196.db2.gz FHUKPALSLLRXGZ-XHSDSOJGSA-N 0 3 377.551 0.908 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)CCOC(C)C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000641599985 530761425 /nfs/dbraw/zinc/76/14/25/530761425.db2.gz HDAJSWGUJQZXET-HOTGVXAUSA-N 0 3 377.551 0.908 20 0 GCADHN CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480249006 530763349 /nfs/dbraw/zinc/76/33/49/530763349.db2.gz CSFFWUIRUIHTTR-CQSZACIVSA-N 0 3 392.547 0.259 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000477572094 530745203 /nfs/dbraw/zinc/74/52/03/530745203.db2.gz FIKYJJPDMCMDCO-GXTWGEPZSA-N 0 3 394.563 0.504 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000477572099 530745473 /nfs/dbraw/zinc/74/54/73/530745473.db2.gz FIKYJJPDMCMDCO-OCCSQVGLSA-N 0 3 394.563 0.504 20 0 GCADHN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579615309 530745998 /nfs/dbraw/zinc/74/59/98/530745998.db2.gz DXGBTIYZFGZKKD-VXGBXAGGSA-N 0 3 377.388 0.946 20 0 GCADHN [NH3+]CC1(O)CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000579840870 530747748 /nfs/dbraw/zinc/74/77/48/530747748.db2.gz KGXDQBROOMICRP-UHFFFAOYSA-N 0 3 396.296 0.584 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1Cl ZINC000579853150 530748132 /nfs/dbraw/zinc/74/81/32/530748132.db2.gz DRABNKPFOFPIEJ-ZYHUDNBSSA-N 0 3 386.861 0.096 20 0 GCADHN [NH3+][C@@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000418153755 530749193 /nfs/dbraw/zinc/74/91/93/530749193.db2.gz JBLZAWXDWXHUIK-LBPRGKRZSA-N 0 3 378.857 0.794 20 0 GCADHN COc1cc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Cl ZINC000579973106 530749481 /nfs/dbraw/zinc/74/94/81/530749481.db2.gz WBBGRYPVBJAJNE-KOLCDFICSA-N 0 3 389.861 0.290 20 0 GCADHN COc1cc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Cl ZINC000579973105 530749489 /nfs/dbraw/zinc/74/94/89/530749489.db2.gz WBBGRYPVBJAJNE-GXSJLCMTSA-N 0 3 389.861 0.290 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(CCCO)C2)cc1Cl ZINC000581953192 530769219 /nfs/dbraw/zinc/76/92/19/530769219.db2.gz HRPAXXVNKQTGEV-LBPRGKRZSA-N 0 3 375.878 0.564 20 0 GCADHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C[C@H]1C ZINC000480674596 530769616 /nfs/dbraw/zinc/76/96/16/530769616.db2.gz VCDYCAOAEAVMPK-OLZOCXBDSA-N 0 3 375.516 0.978 20 0 GCADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C[C@@H]1C ZINC000480674597 530769673 /nfs/dbraw/zinc/76/96/73/530769673.db2.gz VCDYCAOAEAVMPK-QWHCGFSZSA-N 0 3 375.516 0.978 20 0 GCADHN COCCCN1CCC(NC(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000654698615 530770261 /nfs/dbraw/zinc/77/02/61/530770261.db2.gz UUXDMARGTFZSSY-UHFFFAOYSA-N 0 3 375.535 0.665 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000654732568 530771362 /nfs/dbraw/zinc/77/13/62/530771362.db2.gz BIMFTCMJSXHMLM-MRXNPFEDSA-N 0 3 375.535 0.617 20 0 GCADHN CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480904302 530772827 /nfs/dbraw/zinc/77/28/27/530772827.db2.gz FTABROFUVAFQLX-NSHDSACASA-N 0 3 380.536 0.163 20 0 GCADHN CCOC(=O)C1CCN(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000481391445 530778029 /nfs/dbraw/zinc/77/80/29/530778029.db2.gz HPNPWRWFLBJQEJ-OAHLLOKOSA-N 0 3 379.548 0.533 20 0 GCADHN CC(C(=O)N(C)CC(=O)NCc1cccs1)S(=O)(=O)C1CCOCC1 ZINC000482180452 530783357 /nfs/dbraw/zinc/78/33/57/530783357.db2.gz PDHAUQLLNOSMGQ-GFCCVEGCSA-N 0 3 388.511 0.805 20 0 GCADHN CN(CCNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000058858547 530784013 /nfs/dbraw/zinc/78/40/13/530784013.db2.gz UFDYSFADTXNZEK-UHFFFAOYSA-N 0 3 387.527 0.656 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)Cn3cc(Br)ccc3=O)C2)nn1 ZINC000582419695 530784700 /nfs/dbraw/zinc/78/47/00/530784700.db2.gz AXGZUGHDJAAINI-CYBMUJFWSA-N 0 3 395.261 0.525 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H](C)c1ccc(F)cc1 ZINC000063409324 530786627 /nfs/dbraw/zinc/78/66/27/530786627.db2.gz WBYSBHUXFJFIJA-GYSYKLTISA-N 0 3 377.459 0.993 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(C)S(=O)(=O)C1CCOCC1)N1CCOCC1 ZINC000480420968 530765090 /nfs/dbraw/zinc/76/50/90/530765090.db2.gz XXDAHQOYHCBPRT-GDBMZVCRSA-N 0 3 376.519 0.442 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000480633812 530767691 /nfs/dbraw/zinc/76/76/91/530767691.db2.gz GXUZSMWHXKTCGC-XTAIUZINSA-N 0 3 376.548 0.592 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000121123731 530768412 /nfs/dbraw/zinc/76/84/12/530768412.db2.gz JCJNCAZPBIRSCG-NSHDSACASA-N 0 3 385.262 0.386 20 0 GCADHN COCCN(C)CCCNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000616098338 530800544 /nfs/dbraw/zinc/80/05/44/530800544.db2.gz QWYAEZPOYOKXCM-HNNXBMFYSA-N 0 3 378.539 0.458 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000374398711 530791458 /nfs/dbraw/zinc/79/14/58/530791458.db2.gz KZDFNRVOVINYQX-MGPQQGTHSA-N 0 3 387.527 0.737 20 0 GCADHN CCCN(C(=O)[C@H](C)N[C@@H]1CCOC[C@H]1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000484614433 530794589 /nfs/dbraw/zinc/79/45/89/530794589.db2.gz CKKPHNLFHSXVTB-ZJIFWQFVSA-N 0 3 376.519 0.584 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000490150914 530827283 /nfs/dbraw/zinc/82/72/83/530827283.db2.gz FPVLWUWYQSZHCZ-RRFJBIMHSA-N 0 3 375.539 0.191 20 0 GCADHN CN(C)S(=O)(=O)c1ccsc1C(=O)NCCCCN1CCN(C)CC1 ZINC000110628614 530827919 /nfs/dbraw/zinc/82/79/19/530827919.db2.gz VVWNBSXAIIJGIY-UHFFFAOYSA-N 0 3 388.559 0.756 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](N(C)C)C1 ZINC000490435439 530828620 /nfs/dbraw/zinc/82/86/20/530828620.db2.gz CWRXOZHUIKRUTF-CYBMUJFWSA-N 0 3 375.516 0.700 20 0 GCADHN CS(=O)(=O)N1CCC[C@@H]1CN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000377812271 530829983 /nfs/dbraw/zinc/82/99/83/530829983.db2.gz USPSIRGCNCXRHP-CZUORRHYSA-N 0 3 387.527 0.725 20 0 GCADHN COc1ccccc1CNC(=O)C(C)S(=O)(=O)CCCS(C)(=O)=O ZINC000492180346 530836159 /nfs/dbraw/zinc/83/61/59/530836159.db2.gz GZWXRXROYVFHFU-LBPRGKRZSA-N 0 3 377.484 0.549 20 0 GCADHN CS[C@@H]1CN(C(=O)Cc2cc(S(N)(=O)=O)cn2C)C[C@@H]1N1CCCC1 ZINC000487147416 530810924 /nfs/dbraw/zinc/81/09/24/530810924.db2.gz JBGIIMJXVBHVRJ-LSDHHAIUSA-N 0 3 386.543 0.253 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H]([C@H]2CCOC2)C1)S(C)(=O)=O ZINC000378239608 530836319 /nfs/dbraw/zinc/83/63/19/530836319.db2.gz WZVCJBDIOBEWFK-CVEARBPZSA-N 0 3 375.535 0.521 20 0 GCADHN O=S(=O)(CC1CCS(=O)(=O)CC1)N1CC[C@H](CN2CCCCC2)C1 ZINC000376360799 530813745 /nfs/dbraw/zinc/81/37/45/530813745.db2.gz USQTUGBYMWEODZ-MRXNPFEDSA-N 0 3 378.560 0.949 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCN(C)C2CC2)C1 ZINC000376453342 530815394 /nfs/dbraw/zinc/81/53/94/530815394.db2.gz DOGFNBSTONHOON-OAHLLOKOSA-N 0 3 376.523 0.163 20 0 GCADHN CS[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)C[C@H]1N(C)C ZINC000619538638 530819396 /nfs/dbraw/zinc/81/93/96/530819396.db2.gz HASJXBILSANXEM-OLZOCXBDSA-N 0 3 387.531 0.841 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000642020413 530820358 /nfs/dbraw/zinc/82/03/58/530820358.db2.gz MKFZINAIURYOMH-UONOGXRCSA-N 0 3 397.273 0.620 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000269127505 530821053 /nfs/dbraw/zinc/82/10/53/530821053.db2.gz KESDJLJWIAUKNY-CJNGLKHVSA-N 0 3 387.527 0.700 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000269127509 530821172 /nfs/dbraw/zinc/82/11/72/530821172.db2.gz KESDJLJWIAUKNY-XJKSGUPXSA-N 0 3 387.527 0.700 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)C(F)(F)F ZINC000377349931 530825426 /nfs/dbraw/zinc/82/54/26/530825426.db2.gz ZYTHNWKIIVLTDV-RYUDHWBXSA-N 0 3 386.440 0.688 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490153517 530826812 /nfs/dbraw/zinc/82/68/12/530826812.db2.gz VFJQSQCHAVRWGG-CQSZACIVSA-N 0 3 375.539 0.335 20 0 GCADHN CC(C)NS(=O)(=O)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000377473905 530826856 /nfs/dbraw/zinc/82/68/56/530826856.db2.gz SFAJCRWMPOFLQI-UHFFFAOYSA-N 0 3 392.591 0.975 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377558620 530826891 /nfs/dbraw/zinc/82/68/91/530826891.db2.gz ADXSWGRGUAKIGB-NSHDSACASA-N 0 3 392.934 0.186 20 0 GCADHN CS(=O)(=O)N1CCC([NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000669618761 530847617 /nfs/dbraw/zinc/84/76/17/530847617.db2.gz VIHHCHOGSBFXFL-UHFFFAOYSA-N 0 3 397.469 0.257 20 0 GCADHN CS[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2F)C[C@H]1N(C)C ZINC000495634059 530849420 /nfs/dbraw/zinc/84/94/20/530849420.db2.gz CPEJQNUEJMLZQR-KGLIPLIRSA-N 0 3 389.518 0.998 20 0 GCADHN CS[C@H]1CN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)C[C@@H]1N(C)C ZINC000495654885 530849896 /nfs/dbraw/zinc/84/98/96/530849896.db2.gz MUAGBJFEPBXFSM-WUCCLRPBSA-N 0 3 377.576 0.989 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000496633035 530850515 /nfs/dbraw/zinc/85/05/15/530850515.db2.gz QYHQBKVGJWXYFB-ILXRZTDVSA-N 0 3 376.523 0.257 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC000498807803 530851841 /nfs/dbraw/zinc/85/18/41/530851841.db2.gz OSTUQYOZAXDAFJ-ONGXEEELSA-N 0 3 381.422 0.571 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC000498807800 530852073 /nfs/dbraw/zinc/85/20/73/530852073.db2.gz OSTUQYOZAXDAFJ-GXSJLCMTSA-N 0 3 381.422 0.571 20 0 GCADHN CN(C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C1CCN(C)CC1 ZINC000068468473 530853431 /nfs/dbraw/zinc/85/34/31/530853431.db2.gz DNPJXPPFBYWFQV-UHFFFAOYSA-N 0 3 386.543 0.918 20 0 GCADHN CC(C)N(CCCNC(=O)CN([C@H](C)CO)C1CCCC1)S(C)(=O)=O ZINC000582923497 530856599 /nfs/dbraw/zinc/85/65/99/530856599.db2.gz PGOFOWUFOWXUFO-OAHLLOKOSA-N 0 3 377.551 0.788 20 0 GCADHN CCOCCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000583063371 530858609 /nfs/dbraw/zinc/85/86/09/530858609.db2.gz HKCUJXHINWMXGJ-UHFFFAOYSA-N 0 3 378.516 0.727 20 0 GCADHN COC1CCN(S(=O)(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000656938069 530861679 /nfs/dbraw/zinc/86/16/79/530861679.db2.gz IZMPBCAXCXIUIL-DLBZAZTESA-N 0 3 375.535 0.700 20 0 GCADHN C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000653061393 530862235 /nfs/dbraw/zinc/86/22/35/530862235.db2.gz NVQIHGAFQPWWBZ-LBPRGKRZSA-N 0 3 382.408 0.745 20 0 GCADHN CC(C)C[C@H](NC(=O)CCCS(C)(=O)=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000646420249 530863683 /nfs/dbraw/zinc/86/36/83/530863683.db2.gz AYHVDWCKNSMAGR-GJZGRUSLSA-N 0 3 375.535 0.505 20 0 GCADHN CC(C)(C)N1CC[C@@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1 ZINC000657033854 530868183 /nfs/dbraw/zinc/86/81/83/530868183.db2.gz ONSKXHHZMYFWAV-LBPRGKRZSA-N 0 3 375.516 0.884 20 0 GCADHN CC(C)(C)N1CC[C@@H](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000657035707 530868718 /nfs/dbraw/zinc/86/87/18/530868718.db2.gz YLEDVAKKNGQDQZ-LBPRGKRZSA-N 0 3 375.516 0.733 20 0 GCADHN CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000501710438 530869928 /nfs/dbraw/zinc/86/99/28/530869928.db2.gz OVUKLLACLDHYSC-NSHDSACASA-N 0 3 391.877 0.111 20 0 GCADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000610414697 530870523 /nfs/dbraw/zinc/87/05/23/530870523.db2.gz IYKNOADHMHLYPG-KGLIPLIRSA-N 0 3 377.507 0.190 20 0 GCADHN CC(C)(CNC(=O)NCCS(=O)(=O)N1CCSCC1)N1CCCCC1 ZINC000502105309 530873026 /nfs/dbraw/zinc/87/30/26/530873026.db2.gz BRBGCJSSMMBXFH-UHFFFAOYSA-N 0 3 392.591 0.929 20 0 GCADHN Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000582480647 530844371 /nfs/dbraw/zinc/84/43/71/530844371.db2.gz FXJUUAMQTLXLFY-HNNXBMFYSA-N 0 3 397.317 0.817 20 0 GCADHN Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)C2CCCS2(=O)=O)s1 ZINC000582555008 530845481 /nfs/dbraw/zinc/84/54/81/530845481.db2.gz FZUNGCUUJDKGDT-UWVGGRQHSA-N 0 3 375.497 0.869 20 0 GCADHN C[C@H](NS(C)(=O)=O)C(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000670396304 530900060 /nfs/dbraw/zinc/90/00/60/530900060.db2.gz UVIWMJPQIKINBM-ZFWWWQNUSA-N 0 3 377.551 0.644 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657802245 530902361 /nfs/dbraw/zinc/90/23/61/530902361.db2.gz XLYJPEUIKQUCLE-UHFFFAOYSA-N 0 3 376.226 0.957 20 0 GCADHN CN(C)CCOCCNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000507392709 530903756 /nfs/dbraw/zinc/90/37/56/530903756.db2.gz UAFQWLORLRWGMS-UHFFFAOYSA-N 0 3 376.523 0.164 20 0 GCADHN CN(C)CCOCCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000502604649 530875612 /nfs/dbraw/zinc/87/56/12/530875612.db2.gz FVJGASBHQFWTCR-AWEZNQCLSA-N 0 3 376.523 0.068 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000502836198 530877314 /nfs/dbraw/zinc/87/73/14/530877314.db2.gz PEFZVVPDMRETBG-PWSUYJOCSA-N 0 3 388.877 0.430 20 0 GCADHN CN1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C)C2)C1 ZINC000349501799 530882902 /nfs/dbraw/zinc/88/29/02/530882902.db2.gz NKUAVPNJRMVRCY-HNNXBMFYSA-N 0 3 381.564 0.452 20 0 GCADHN CCN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349531894 530886649 /nfs/dbraw/zinc/88/66/49/530886649.db2.gz NMMRQTAVYRUEMU-UHFFFAOYSA-N 0 3 376.504 0.339 20 0 GCADHN Nc1nc(N)nc(N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 ZINC000623915447 530910963 /nfs/dbraw/zinc/91/09/63/530910963.db2.gz GWLGPRJGNZRWIF-UHFFFAOYSA-N 0 3 389.894 0.313 20 0 GCADHN Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000657518723 530896529 /nfs/dbraw/zinc/89/65/29/530896529.db2.gz PCVDPXKAJNVMHF-SECBINFHSA-N 0 3 376.226 0.874 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCCOc1ccc(S(N)(=O)=O)cc1 ZINC000510794823 530930208 /nfs/dbraw/zinc/93/02/08/530930208.db2.gz FIMUSKWAHRGRRK-GJZGRUSLSA-N 0 3 391.515 0.163 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000510795176 530930306 /nfs/dbraw/zinc/93/03/06/530930306.db2.gz ITVRSRHOJHEZBF-HOTGVXAUSA-N 0 3 390.527 0.919 20 0 GCADHN NC[C@@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C1CCCC1 ZINC000418630413 530931622 /nfs/dbraw/zinc/93/16/22/530931622.db2.gz XGHBTOWESPBWAU-CHWSQXEVSA-N 0 3 375.516 0.699 20 0 GCADHN NC[C@@H](NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C1CCCC1 ZINC000418630757 530931900 /nfs/dbraw/zinc/93/19/00/530931900.db2.gz XGHBTOWESPBWAU-QWHCGFSZSA-N 0 3 375.516 0.699 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@H](NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000511156528 530933967 /nfs/dbraw/zinc/93/39/67/530933967.db2.gz IANYOEYHHQIPHF-RRFJBIMHSA-N 0 3 382.548 0.420 20 0 GCADHN CN(Cc1ccccc1Br)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000584463837 530915322 /nfs/dbraw/zinc/91/53/22/530915322.db2.gz IGEAIIWNCGAMAP-CYBMUJFWSA-N 0 3 383.290 0.509 20 0 GCADHN C[C@@H](Nc1nc(N)nc(N)n1)c1ccc(Br)cc1OCCCO ZINC000624234802 530922825 /nfs/dbraw/zinc/92/28/25/530922825.db2.gz YPFNRYJLFWXSSM-MRVPVSSYSA-N 0 3 383.250 0.815 20 0 GCADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c1OC ZINC000510041720 530923659 /nfs/dbraw/zinc/92/36/59/530923659.db2.gz KXHLBESQJCSDCH-OAHLLOKOSA-N 0 3 393.893 0.299 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000624338086 530924291 /nfs/dbraw/zinc/92/42/91/530924291.db2.gz SWLMURBTHGFIFN-GFCCVEGCSA-N 0 3 384.278 0.967 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)s1 ZINC000104102784 530924382 /nfs/dbraw/zinc/92/43/82/530924382.db2.gz DWNWPHSJWYZOEN-UHFFFAOYSA-N 0 3 376.548 0.498 20 0 GCADHN COCCCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1CCN(C)CC1 ZINC000627402391 530928771 /nfs/dbraw/zinc/92/87/71/530928771.db2.gz DPRPRYSQFQQIRL-HNNXBMFYSA-N 0 3 375.535 0.617 20 0 GCADHN O=C(NCCc1nc2cc(Cl)ccc2s1)C(=O)NC[C@@H]1CNCCO1 ZINC000419337606 530957630 /nfs/dbraw/zinc/95/76/30/530957630.db2.gz RCEPIJRHGIFVPF-NSHDSACASA-N 0 3 382.873 0.713 20 0 GCADHN O=S(=O)(CCCN1CCCC1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000632086255 530957939 /nfs/dbraw/zinc/95/79/39/530957939.db2.gz KIEFHZNLENBUTD-UHFFFAOYSA-N 0 3 379.548 0.348 20 0 GCADHN [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc([O-])c(Br)c3)C[C@@H]12 ZINC000419413749 530957990 /nfs/dbraw/zinc/95/79/90/530957990.db2.gz SMYLDJFEIGXPRC-DMDPSCGWSA-N 0 3 382.258 0.967 20 0 GCADHN [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)NCc3ccc([O-])c(Br)c3)C[C@H]12 ZINC000419413751 530958106 /nfs/dbraw/zinc/95/81/06/530958106.db2.gz SMYLDJFEIGXPRC-GMXVVIOVSA-N 0 3 382.258 0.967 20 0 GCADHN O=C(NCCNC(=O)c1cccc(Br)c1)C(=O)N1CCCNCC1 ZINC000419432526 530958322 /nfs/dbraw/zinc/95/83/22/530958322.db2.gz GGEOTQXXNMBHNJ-UHFFFAOYSA-N 0 3 397.273 0.117 20 0 GCADHN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC1CNC1 ZINC000517101651 530958333 /nfs/dbraw/zinc/95/83/33/530958333.db2.gz KNVYGANAKUOACZ-AWEZNQCLSA-N 0 3 398.301 0.991 20 0 GCADHN [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCc3ccc([O-])c(Br)c3)C[C@@H]12 ZINC000419413753 530958421 /nfs/dbraw/zinc/95/84/21/530958421.db2.gz SMYLDJFEIGXPRC-NQBHXWOUSA-N 0 3 382.258 0.967 20 0 GCADHN CCN(CC)[C@@H](CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)CC(C)C ZINC000632098072 530958550 /nfs/dbraw/zinc/95/85/50/530958550.db2.gz RSGDTEJQUQGMAH-HZPDHXFCSA-N 0 3 397.607 0.944 20 0 GCADHN CCN(CC)[C@H](CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)CC(C)C ZINC000632098071 530958908 /nfs/dbraw/zinc/95/89/08/530958908.db2.gz RSGDTEJQUQGMAH-HOTGVXAUSA-N 0 3 397.607 0.944 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000419490668 530959084 /nfs/dbraw/zinc/95/90/84/530959084.db2.gz FINVLHVREBRTNZ-UHFFFAOYSA-N 0 3 392.681 0.541 20 0 GCADHN CC(C)O[C@]1(CS(=O)(=O)NCCCCN2CCN(C)CC2)CCOC1 ZINC000659888308 530959116 /nfs/dbraw/zinc/95/91/16/530959116.db2.gz GVHJMDUJDHPAKA-QGZVFWFLSA-N 0 3 377.551 0.518 20 0 GCADHN COCCNCCNC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000420194107 530965679 /nfs/dbraw/zinc/96/56/79/530965679.db2.gz ZRRVGKCOYUNWGV-UHFFFAOYSA-N 0 3 390.253 0.899 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000419438615 530959248 /nfs/dbraw/zinc/95/92/48/530959248.db2.gz OYSUUKVFVOBEDJ-ZDUSSCGKSA-N 0 3 397.273 0.149 20 0 GCADHN CCCC[C@@H](CN)NC(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419574514 530959595 /nfs/dbraw/zinc/95/95/95/530959595.db2.gz UPAKSFDRWSRLIM-ZDUSSCGKSA-N 0 3 389.905 0.864 20 0 GCADHN O=C(NCCNc1ncc(Cl)cc1Cl)C(=O)NC[C@@H]1CNCCO1 ZINC000419572796 530959948 /nfs/dbraw/zinc/95/99/48/530959948.db2.gz QZZQOFRAXVDTQM-JTQLQIEISA-N 0 3 376.244 0.021 20 0 GCADHN COc1cc(Br)c(CNC(=O)C(=O)N(C)[C@@H](C)CN)cc1OC ZINC000419581929 530960314 /nfs/dbraw/zinc/96/03/14/530960314.db2.gz IUGJWULRDZQCEF-VIFPVBQESA-N 0 3 388.262 0.888 20 0 GCADHN Cc1cc(Br)cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000520841422 530960471 /nfs/dbraw/zinc/96/04/71/530960471.db2.gz RAWJKWRKFDMJBG-OLZOCXBDSA-N 0 3 395.257 0.466 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419670679 530961070 /nfs/dbraw/zinc/96/10/70/530961070.db2.gz DHPMVBIELANRRE-UHFFFAOYSA-N 0 3 383.246 0.326 20 0 GCADHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000646813026 530961276 /nfs/dbraw/zinc/96/12/76/530961276.db2.gz NKOLIFOIOVOPEE-MRXNPFEDSA-N 0 3 375.535 0.662 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(Br)s1 ZINC000419710288 530961503 /nfs/dbraw/zinc/96/15/03/530961503.db2.gz NURBLQHREBKINP-BDAKNGLRSA-N 0 3 376.276 0.792 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000419727236 530961682 /nfs/dbraw/zinc/96/16/82/530961682.db2.gz KZHOIIXSUCKYCQ-LLVKDONJSA-N 0 3 376.240 0.895 20 0 GCADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000419786922 530962346 /nfs/dbraw/zinc/96/23/46/530962346.db2.gz RNNNKBQLSQDHND-LBPRGKRZSA-N 0 3 389.905 0.849 20 0 GCADHN C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419835181 530963147 /nfs/dbraw/zinc/96/31/47/530963147.db2.gz YCCZGSGKBOKNBZ-BXUZGUMPSA-N 0 3 384.274 0.601 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 ZINC000632253996 530963692 /nfs/dbraw/zinc/96/36/92/530963692.db2.gz HJCWRBPARJYQFW-UHFFFAOYSA-N 0 3 384.527 0.516 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCOc3cccc(Br)c3)CCN2C1=O ZINC000521070888 530963997 /nfs/dbraw/zinc/96/39/97/530963997.db2.gz QOEYTRBXCRGJRJ-JSGCOSHPSA-N 0 3 397.273 0.781 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000420010247 530964334 /nfs/dbraw/zinc/96/43/34/530964334.db2.gz FESNYEBARMWUHH-JTQLQIEISA-N 0 3 387.267 0.741 20 0 GCADHN CC(C)[C@H](N)CNC(=O)C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000419971348 530964609 /nfs/dbraw/zinc/96/46/09/530964609.db2.gz GEDJKLOWFDBLNB-CHWSQXEVSA-N 0 3 387.889 0.726 20 0 GCADHN O=C(NC[C@H](CO)Cc1ccccc1Br)NC[C@@H]1CNCCO1 ZINC000418754262 530935029 /nfs/dbraw/zinc/93/50/29/530935029.db2.gz AXWAGQPMWLNMQB-OCCSQVGLSA-N 0 3 386.290 0.888 20 0 GCADHN CN(C)C1(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 ZINC000627777947 530937921 /nfs/dbraw/zinc/93/79/21/530937921.db2.gz WWGFWDPBBIARND-UHFFFAOYSA-N 0 3 387.527 0.718 20 0 GCADHN C[C@@H](CCc1ccc(I)cc1)NC(=O)C(=O)NCCN ZINC000418826364 530938210 /nfs/dbraw/zinc/93/82/10/530938210.db2.gz KVXGRLCLMKXXRW-JTQLQIEISA-N 0 3 389.237 0.803 20 0 GCADHN CC1CCN(C[C@@H](O)CNC(=O)NCCC2CCS(=O)(=O)CC2)CC1 ZINC000511567686 530938311 /nfs/dbraw/zinc/93/83/11/530938311.db2.gz QLIMQCQYXQYKEV-INIZCTEOSA-N 0 3 375.535 0.593 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)CCCN1CCCC1 ZINC000631699943 530939484 /nfs/dbraw/zinc/93/94/84/530939484.db2.gz HJQJIDILSIVLBP-UHFFFAOYSA-N 0 3 389.543 0.842 20 0 GCADHN CN1CCC(CNS(=O)(=O)CCOCC2CC2)(N2CCOCC2)CC1 ZINC000425189187 530942550 /nfs/dbraw/zinc/94/25/50/530942550.db2.gz SDSFWHJWGNVMJG-UHFFFAOYSA-N 0 3 375.535 0.129 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000512422543 530942801 /nfs/dbraw/zinc/94/28/01/530942801.db2.gz VJUNKUUTXABWIH-NSHDSACASA-N 0 3 388.456 0.934 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000418866536 530946680 /nfs/dbraw/zinc/94/66/80/530946680.db2.gz NUWABJVNRZJBRT-TZMCWYRMSA-N 0 3 395.301 0.998 20 0 GCADHN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)C(=O)N1CCCNCC1 ZINC000418866555 530946711 /nfs/dbraw/zinc/94/67/11/530946711.db2.gz NXWBXJMKJYSORU-CYBMUJFWSA-N 0 3 395.301 0.966 20 0 GCADHN C[C@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000631973246 530965195 /nfs/dbraw/zinc/96/51/95/530965195.db2.gz LPIUPRCJWUDULQ-DTWKUNHWSA-N 0 3 397.316 0.963 20 0 GCADHN CCN(CCO)CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000183934481 530965305 /nfs/dbraw/zinc/96/53/05/530965305.db2.gz OCHWRLSKAVDWIZ-UHFFFAOYSA-N 0 3 397.273 0.589 20 0 GCADHN C[C@@H](NS(=O)(=O)CCCN(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000631892884 530950211 /nfs/dbraw/zinc/95/02/11/530950211.db2.gz ZDBRTCXLSBAWFF-CYBMUJFWSA-N 0 3 377.532 0.869 20 0 GCADHN NC[C@H]1CCCN1C(=O)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000418922075 530951317 /nfs/dbraw/zinc/95/13/17/530951317.db2.gz DIPMBCARKUTJCT-CYBMUJFWSA-N 0 3 397.273 0.844 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000420032451 530965360 /nfs/dbraw/zinc/96/53/60/530965360.db2.gz HZKHCYUUJIDDKT-SRVKXCTJSA-N 0 3 384.527 0.989 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418951306 530951728 /nfs/dbraw/zinc/95/17/28/530951728.db2.gz XCIZLQHHSRKOJN-OCCSQVGLSA-N 0 3 382.258 0.657 20 0 GCADHN CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631929530 530951976 /nfs/dbraw/zinc/95/19/76/530951976.db2.gz IILCZBBYRCYQBV-UHFFFAOYSA-N 0 3 381.564 0.548 20 0 GCADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCCN)C2=O)ccc1Br ZINC000418968831 530952815 /nfs/dbraw/zinc/95/28/15/530952815.db2.gz UZZHMWXRTLECOI-ZDUSSCGKSA-N 0 3 397.273 0.444 20 0 GCADHN Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@H](CN)C3CC3)nc12 ZINC000419036621 530952857 /nfs/dbraw/zinc/95/28/57/530952857.db2.gz BSSUHONRSWQNFT-CYBMUJFWSA-N 0 3 394.273 0.875 20 0 GCADHN O=C(NCc1cc(Cl)cc(Br)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419078289 530953423 /nfs/dbraw/zinc/95/34/23/530953423.db2.gz YRRHGPPDNRHGRF-LBPRGKRZSA-N 0 3 390.665 0.823 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2CN3)c(Br)c1 ZINC000631970083 530954002 /nfs/dbraw/zinc/95/40/02/530954002.db2.gz KIZZZIDFUXAOKR-IUCAKERBSA-N 0 3 395.300 0.587 20 0 GCADHN CN(CCN)C(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419071432 530954775 /nfs/dbraw/zinc/95/47/75/530954775.db2.gz LEXYOXGYFZUGIQ-LBPRGKRZSA-N 0 3 383.290 0.809 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCN(C)S(=O)(=O)CCCN(C)C)cc1 ZINC000632047959 530956779 /nfs/dbraw/zinc/95/67/79/530956779.db2.gz WQBYVDWEKZBBBP-UHFFFAOYSA-N 0 3 377.532 0.487 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000419187922 530956874 /nfs/dbraw/zinc/95/68/74/530956874.db2.gz NSWUJCSRYMYDGT-HIFRSBDPSA-N 0 3 395.301 0.998 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000632590468 530976114 /nfs/dbraw/zinc/97/61/14/530976114.db2.gz UYLAJHZOSXGLQE-INIZCTEOSA-N 0 3 390.527 0.745 20 0 GCADHN CCN(CCNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000523200392 530979708 /nfs/dbraw/zinc/97/97/08/530979708.db2.gz WBQCWPRVQCMGSM-UHFFFAOYSA-N 0 3 387.527 0.983 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2sc(C)nc2C)CC1=O ZINC000632726657 530980364 /nfs/dbraw/zinc/98/03/64/530980364.db2.gz NCDDWNHISZTLMZ-ZDUSSCGKSA-N 0 3 390.531 0.217 20 0 GCADHN CCN(CCN)C(=O)C(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000633110264 530982322 /nfs/dbraw/zinc/98/23/22/530982322.db2.gz ULTKBCFHLLSHBX-CYBMUJFWSA-N 0 3 392.283 0.999 20 0 GCADHN CCOC(=O)CCCS(=O)(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000523829936 530983710 /nfs/dbraw/zinc/98/37/10/530983710.db2.gz FVGDTZHALUOHKP-UHFFFAOYSA-N 0 3 377.507 0.146 20 0 GCADHN CCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420191407 530966077 /nfs/dbraw/zinc/96/60/77/530966077.db2.gz GXCQJAIZKGNULJ-CYBMUJFWSA-N 0 3 384.274 0.902 20 0 GCADHN CN(C(=O)C(=O)NCC1(N)CCC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000420129834 530966186 /nfs/dbraw/zinc/96/61/86/530966186.db2.gz QFOKCCZHJBFCHF-GFCCVEGCSA-N 0 3 385.873 0.624 20 0 GCADHN CN(Cc1ccc(Br)c(F)c1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420203536 530966489 /nfs/dbraw/zinc/96/64/89/530966489.db2.gz QDOXYFBJNVGDCM-LLVKDONJSA-N 0 3 388.237 0.651 20 0 GCADHN CN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420211980 530966569 /nfs/dbraw/zinc/96/65/69/530966569.db2.gz XOAZFVTVSLEMPD-GFCCVEGCSA-N 0 3 388.237 0.651 20 0 GCADHN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420206301 530967031 /nfs/dbraw/zinc/96/70/31/530967031.db2.gz SMTQFVKWYLTRRL-XHDPSFHLSA-N 0 3 396.285 0.827 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000187192105 530967056 /nfs/dbraw/zinc/96/70/56/530967056.db2.gz DZGNRQGSMTWTTK-ZDUSSCGKSA-N 0 3 379.477 0.700 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](N)CCSC)CC2)cc1 ZINC000262213247 530967446 /nfs/dbraw/zinc/96/74/46/530967446.db2.gz LIGSNHQRVQXGIT-HNNXBMFYSA-N 0 3 387.527 0.609 20 0 GCADHN O=S(=O)(CCCN1CCCC1)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000632339825 530967743 /nfs/dbraw/zinc/96/77/43/530967743.db2.gz GSLRIXKRRNIPBR-OAHLLOKOSA-N 0 3 393.575 0.596 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000420465242 530967996 /nfs/dbraw/zinc/96/79/96/530967996.db2.gz YGBSEMHCBHPVNM-WDEREUQCSA-N 0 3 379.479 0.993 20 0 GCADHN CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000420469564 530968588 /nfs/dbraw/zinc/96/85/88/530968588.db2.gz VTELVKSUFYDYFU-CYBMUJFWSA-N 0 3 379.479 0.864 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CNCCO2)c(Br)c1 ZINC000420478459 530968675 /nfs/dbraw/zinc/96/86/75/530968675.db2.gz LHCIIAGAQYQDSA-SNVBAGLBSA-N 0 3 393.259 0.502 20 0 GCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000632369895 530969039 /nfs/dbraw/zinc/96/90/39/530969039.db2.gz SIJCIGJMHIEAKD-STQMWFEESA-N 0 3 375.516 0.650 20 0 GCADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000632367979 530969044 /nfs/dbraw/zinc/96/90/44/530969044.db2.gz AKNQFWRFGPFBLS-MLGOLLRUSA-N 0 3 387.527 0.840 20 0 GCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000632369894 530969055 /nfs/dbraw/zinc/96/90/55/530969055.db2.gz SIJCIGJMHIEAKD-QWHCGFSZSA-N 0 3 375.516 0.650 20 0 GCADHN O=S(=O)(NC[C@H]1CNCCO1)c1cccc(I)c1 ZINC000420482483 530969310 /nfs/dbraw/zinc/96/93/10/530969310.db2.gz UMPAQCIVBINFMO-SNVBAGLBSA-N 0 3 382.223 0.558 20 0 GCADHN C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@@H]1C[NH3+] ZINC000420482783 530969548 /nfs/dbraw/zinc/96/95/48/530969548.db2.gz VDNUUFAUZQPODO-QWRGUYRKSA-N 0 3 379.479 0.803 20 0 GCADHN CO[C@H](CC(C)C)CS(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000420656709 530970705 /nfs/dbraw/zinc/97/07/05/530970705.db2.gz DXRSPOZFHAGXHV-MRXNPFEDSA-N 0 3 377.551 0.767 20 0 GCADHN CN(C)CCOc1cccc(CNS(=O)(=O)CCCS(C)(=O)=O)c1 ZINC000524891038 530991375 /nfs/dbraw/zinc/99/13/75/530991375.db2.gz VIPQSZVLFVJBCH-UHFFFAOYSA-N 0 3 378.516 0.481 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000261964540 530991985 /nfs/dbraw/zinc/99/19/85/530991985.db2.gz APOYCIACBNQXSB-VIFPVBQESA-N 0 3 397.316 0.883 20 0 GCADHN C[C@H](CN)N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000262012939 530992531 /nfs/dbraw/zinc/99/25/31/530992531.db2.gz HRAMCARTVQBFLF-MRVPVSSYSA-N 0 3 385.305 0.820 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000658778403 530992681 /nfs/dbraw/zinc/99/26/81/530992681.db2.gz NEYALMSCESYQSG-SNVBAGLBSA-N 0 3 385.262 0.687 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC1CC[NH2+]CC1 ZINC000262501698 530993620 /nfs/dbraw/zinc/99/36/20/530993620.db2.gz HMTXFCRAENHQCR-UHFFFAOYSA-N 0 3 382.305 0.657 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1F ZINC000262122632 530993829 /nfs/dbraw/zinc/99/38/29/530993829.db2.gz KJHAHAGBAQOOKU-CQSZACIVSA-N 0 3 379.479 0.991 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1F ZINC000262127223 530994045 /nfs/dbraw/zinc/99/40/45/530994045.db2.gz LMJBMXJPKSDKBV-UHFFFAOYSA-N 0 3 379.479 0.960 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659086718 530994138 /nfs/dbraw/zinc/99/41/38/530994138.db2.gz CEPHTQILMAXZQC-ZETCQYMHSA-N 0 3 378.173 0.770 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)NCCNC(=O)c1ccc(Br)cn1 ZINC000659334840 530994880 /nfs/dbraw/zinc/99/48/80/530994880.db2.gz GISZMLUTHAADAU-LBPRGKRZSA-N 0 3 385.262 0.459 20 0 GCADHN COC[C@]1(C[N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CCC[NH2+]1 ZINC000262284450 530995617 /nfs/dbraw/zinc/99/56/17/530995617.db2.gz MDLBFGJYOHKLLG-CQSZACIVSA-N 0 3 378.472 0.590 20 0 GCADHN COCCNCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000262673051 530998655 /nfs/dbraw/zinc/99/86/55/530998655.db2.gz RYCZQDWBRLKJIH-CYBMUJFWSA-N 0 3 375.516 0.644 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000262373373 530997275 /nfs/dbraw/zinc/99/72/75/530997275.db2.gz MMMIJAACDNOAHY-JKOKRWQUSA-N 0 3 391.490 0.945 20 0 GCADHN COC[C@]1(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CCC[NH2+]1 ZINC000262398193 530997732 /nfs/dbraw/zinc/99/77/32/530997732.db2.gz ZKXBZJDLXKJNQP-CQSZACIVSA-N 0 3 380.463 0.276 20 0 GCADHN CN1CCC(O)(CNC(=O)c2cc(Br)ccc2-n2cnnn2)CC1 ZINC000611696284 530998337 /nfs/dbraw/zinc/99/83/37/530998337.db2.gz NRVHGPRPPDGYHU-UHFFFAOYSA-N 0 3 395.261 0.611 20 0 GCADHN CN(C)[C@]1(CNC(=O)NCc2cccc(CS(N)(=O)=O)c2)CCSC1 ZINC000669653567 530988174 /nfs/dbraw/zinc/98/81/74/530988174.db2.gz PQAMEGOCDHRBFA-INIZCTEOSA-N 0 3 386.543 0.712 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000261687530 530989312 /nfs/dbraw/zinc/98/93/12/530989312.db2.gz HIZHLTGYEOPNJP-AWEZNQCLSA-N 0 3 379.479 0.947 20 0 GCADHN COCCN(CCOC)S(=O)(=O)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000261804440 530990462 /nfs/dbraw/zinc/99/04/62/530990462.db2.gz MDGINCCBCMCNNU-MRXNPFEDSA-N 0 3 375.466 0.612 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000660336737 531006597 /nfs/dbraw/zinc/00/65/97/531006597.db2.gz OJKKPUUGRUBKMN-BZUAXINKSA-N 0 3 375.535 0.854 20 0 GCADHN CN1CCC[C@H](CNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000533103779 531034242 /nfs/dbraw/zinc/03/42/42/531034242.db2.gz JANIGIHCYLTLAX-OLZOCXBDSA-N 0 3 375.516 0.524 20 0 GCADHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)C1 ZINC000660635166 531009199 /nfs/dbraw/zinc/00/91/99/531009199.db2.gz ZTVJVFCPPUERJR-KFWWJZLASA-N 0 3 375.535 0.998 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CCSC1 ZINC000332966739 531010338 /nfs/dbraw/zinc/01/03/38/531010338.db2.gz VDAIJFLGYZXSMI-UKRRQHHQSA-N 0 3 378.564 0.537 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000422169067 531010810 /nfs/dbraw/zinc/01/08/10/531010810.db2.gz UINZODUEBNBUNL-HUUCEWRRSA-N 0 3 376.523 0.211 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCN(C)CCC[NH+](C)C)s1 ZINC000663536307 531034375 /nfs/dbraw/zinc/03/43/75/531034375.db2.gz MGOCTRWKQRCRIB-UHFFFAOYSA-N 0 3 391.563 0.339 20 0 GCADHN CCOC(=O)[C@H]1NCC[C@H]1NCCCNS(=O)(=O)c1ccccc1Cl ZINC000423097534 531016687 /nfs/dbraw/zinc/01/66/87/531016687.db2.gz JGNCQZMKAXYILD-HIFRSBDPSA-N 0 3 389.905 0.892 20 0 GCADHN CCCN1CC[C@@H](NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000661950475 531017747 /nfs/dbraw/zinc/01/77/47/531017747.db2.gz ALVMVPWNPDDUPS-HUUCEWRRSA-N 0 3 376.523 0.258 20 0 GCADHN COCCN(Cc1sccc1Br)C(=O)C(=O)N(C)CCN ZINC000423519482 531017795 /nfs/dbraw/zinc/01/77/95/531017795.db2.gz VMSCBMRMCNMSBZ-UHFFFAOYSA-N 0 3 378.292 0.903 20 0 GCADHN COCCN(Cc1ccc(Br)s1)C(=O)C(=O)N(C)CCN ZINC000423569334 531018031 /nfs/dbraw/zinc/01/80/31/531018031.db2.gz FHXJENHBTUCLIK-UHFFFAOYSA-N 0 3 378.292 0.903 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc(Br)c3F)CCN2C1=O ZINC000580725292 531018430 /nfs/dbraw/zinc/01/84/30/531018430.db2.gz PZGLMJGECXUMCY-WPRPVWTQSA-N 0 3 392.250 0.521 20 0 GCADHN O=C(CS(=O)(=O)Cc1cccc(Br)c1)NC[C@H]1CNCCO1 ZINC000423987350 531019310 /nfs/dbraw/zinc/01/93/10/531019310.db2.gz HOYIEZOBGYPWHS-CYBMUJFWSA-N 0 3 391.287 0.469 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000262589939 531019633 /nfs/dbraw/zinc/01/96/33/531019633.db2.gz CEYMPIWZGDZDDK-LBPRGKRZSA-N 0 3 375.516 0.771 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627252373 531022106 /nfs/dbraw/zinc/02/21/06/531022106.db2.gz RZUBOENSFXECHV-KBPBESRZSA-N 0 3 387.889 0.286 20 0 GCADHN CN(CC(C)(C)[NH3+])C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000662605000 531022913 /nfs/dbraw/zinc/02/29/13/531022913.db2.gz IQAPCAZFQZAKBO-UHFFFAOYSA-N 0 3 384.321 0.985 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)c(OC)c1 ZINC000564209844 531035298 /nfs/dbraw/zinc/03/52/98/531035298.db2.gz KABLPWVZBMLNAK-UHFFFAOYSA-N 0 3 391.515 0.735 20 0 GCADHN C[C@@]1([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)CC[NH2+]C1 ZINC000663313127 531032699 /nfs/dbraw/zinc/03/26/99/531032699.db2.gz RSEIJAYSWJAFBF-GFCCVEGCSA-N 0 3 397.316 0.883 20 0 GCADHN NC[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000415438348 531062333 /nfs/dbraw/zinc/06/23/33/531062333.db2.gz BISCFJCIXNERJQ-ZDUSSCGKSA-N 0 3 392.257 1.427 20 0 GCADHN CNCCNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000262759596 531062347 /nfs/dbraw/zinc/06/23/47/531062347.db2.gz QUJPKXSKFDZJNZ-UHFFFAOYSA-N 0 3 375.516 0.667 20 0 GCADHN NS(=O)(=O)c1cnc(NCCCN2CCN(c3ccncc3)CC2)s1 ZINC000507030050 531063135 /nfs/dbraw/zinc/06/31/35/531063135.db2.gz NOZYKOGVFBUFOO-UHFFFAOYSA-N 0 3 382.515 0.810 20 0 GCADHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000542747290 531068876 /nfs/dbraw/zinc/06/88/76/531068876.db2.gz ZSHYTJILQPNXJE-GFCCVEGCSA-N 0 3 375.516 0.685 20 0 GCADHN COCCNCCNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000262783081 531065509 /nfs/dbraw/zinc/06/55/09/531065509.db2.gz PJMILSMWFONXNS-CYBMUJFWSA-N 0 3 376.450 0.755 20 0 GCADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000477010397 531065617 /nfs/dbraw/zinc/06/56/17/531065617.db2.gz VDCYRWGWEDVNSM-LLVKDONJSA-N 0 3 375.516 0.614 20 0 GCADHN CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000542758770 531068947 /nfs/dbraw/zinc/06/89/47/531068947.db2.gz KKAWCQNOVCPNEG-UHFFFAOYSA-N 0 3 396.506 0.866 20 0 GCADHN CCS(=O)(=O)N1CCC(CNC(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000542547306 531066933 /nfs/dbraw/zinc/06/69/33/531066933.db2.gz DHINCCIRMLSXLW-HNNXBMFYSA-N 0 3 376.523 0.068 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@H](C(C)C)N1CCCCCC1 ZINC000663561624 531035434 /nfs/dbraw/zinc/03/54/34/531035434.db2.gz UQFQSWLRMIZBCM-BZUAXINKSA-N 0 3 375.535 0.998 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC000614838600 531037449 /nfs/dbraw/zinc/03/74/49/531037449.db2.gz KVZDBUVQFIKSRU-LBPRGKRZSA-N 0 3 389.543 0.821 20 0 GCADHN COCCNCCNS(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC000262798819 531068011 /nfs/dbraw/zinc/06/80/11/531068011.db2.gz UTGJFVJVEWHOSE-UHFFFAOYSA-N 0 3 397.291 0.981 20 0 GCADHN C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000119514127 531043054 /nfs/dbraw/zinc/04/30/54/531043054.db2.gz DXEIBANNOKAUJV-IRXDYDNUSA-N 0 3 376.567 0.189 20 0 GCADHN C[C@H](C(=O)N[C@@H](CO)CN(C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000614857654 531043550 /nfs/dbraw/zinc/04/35/50/531043550.db2.gz CNOQYISQQNXFEJ-MWLCHTKSSA-N 0 3 398.257 0.472 20 0 GCADHN COCCNCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000262654177 531043634 /nfs/dbraw/zinc/04/36/34/531043634.db2.gz 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/nfs/dbraw/zinc/14/13/85/531141385.db2.gz NWXNHFPHLVGKHQ-AWEZNQCLSA-N 0 3 383.543 0.535 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1([S@@](C)=O)CCC1 ZINC000435631050 531142148 /nfs/dbraw/zinc/14/21/48/531142148.db2.gz ZNXRVYDNENIUEB-HSZRJFAPSA-N 0 3 376.548 0.641 20 0 GCADHN CC(C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1nc(CC(F)(F)F)no1 ZINC000437261430 531148801 /nfs/dbraw/zinc/14/88/01/531148801.db2.gz YNKDWCGRLRGDSI-IUCAKERBSA-N 0 3 385.364 0.773 20 0 GCADHN COCCN1CCC(NC(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000437440633 531149792 /nfs/dbraw/zinc/14/97/92/531149792.db2.gz SRJHYFVACJIYEX-UHFFFAOYSA-N 0 3 390.531 0.436 20 0 GCADHN O=C(CCNS(=O)(=O)c1ccccc1Cl)NCCN1CC[C@@H](O)C1 ZINC000629178706 531150619 /nfs/dbraw/zinc/15/06/19/531150619.db2.gz GOPLEYIMDLGYQZ-GFCCVEGCSA-N 0 3 375.878 0.191 20 0 GCADHN CN1CCN(CC2CN(C(=O)Cc3cc[nH]c(=O)c3Br)C2)CC1 ZINC000615279855 531150947 /nfs/dbraw/zinc/15/09/47/531150947.db2.gz VSWYQJAGIPMKEO-UHFFFAOYSA-N 0 3 383.290 0.798 20 0 GCADHN Cn1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc(Br)c1=O ZINC000678673825 531152661 /nfs/dbraw/zinc/15/26/61/531152661.db2.gz TYNFJPMBQOMLRN-NSHDSACASA-N 0 3 397.273 0.687 20 0 GCADHN CC(C)(C)N1CCC(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000615292135 531153755 /nfs/dbraw/zinc/15/37/55/531153755.db2.gz CBGBWTNBMFQCNI-UHFFFAOYSA-N 0 3 375.516 0.875 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)NC2CCN(CCCOC)CC2)C1 ZINC000439056929 531158130 /nfs/dbraw/zinc/15/81/30/531158130.db2.gz MQPJDMCOFFPKDY-UHFFFAOYSA-N 0 3 376.523 0.068 20 0 GCADHN COCCNc1nc(N[C@H]2CSC[C@H]2C)nc(N[C@@H]2CSC[C@@H]2C)n1 ZINC000553675026 531155678 /nfs/dbraw/zinc/15/56/78/531155678.db2.gz SYHCJAZFHCXIKZ-FNFFVJSTSA-N 0 3 384.575 0.522 20 0 GCADHN CCN(CCN1CCCCCC1)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000553923520 531158762 /nfs/dbraw/zinc/15/87/62/531158762.db2.gz UTNAWOUVUYHIKA-UHFFFAOYSA-N 0 3 376.567 0.582 20 0 GCADHN C[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000253609869 531163292 /nfs/dbraw/zinc/16/32/92/531163292.db2.gz HXUQPFGMALUAOC-WDEREUQCSA-N 0 3 387.278 0.948 20 0 GCADHN C[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000253609869 531163295 /nfs/dbraw/zinc/16/32/95/531163295.db2.gz HXUQPFGMALUAOC-WDEREUQCSA-N 0 3 387.278 0.948 20 0 GCADHN Cc1ccc(CS(=O)(=O)C(C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC000629325816 531165827 /nfs/dbraw/zinc/16/58/27/531165827.db2.gz OPBPOWRRBRQSBI-YPMHNXCESA-N 0 3 377.459 0.741 20 0 GCADHN Cc1ccc(CS(=O)(=O)C(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000629325815 531165878 /nfs/dbraw/zinc/16/58/78/531165878.db2.gz OPBPOWRRBRQSBI-WCQYABFASA-N 0 3 377.459 0.741 20 0 GCADHN COc1ccccc1CS(=O)(=O)C(C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000555462959 531169542 /nfs/dbraw/zinc/16/95/42/531169542.db2.gz USVOSCJTOFVBOZ-GXTWGEPZSA-N 0 3 389.495 0.644 20 0 GCADHN COc1ccccc1CS(=O)(=O)C(C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000555462960 531169804 /nfs/dbraw/zinc/16/98/04/531169804.db2.gz USVOSCJTOFVBOZ-JSGCOSHPSA-N 0 3 389.495 0.644 20 0 GCADHN CS(=O)(=O)c1cccc(S(=O)(=O)NCCCNCc2cccnc2)c1 ZINC000440355716 531171200 /nfs/dbraw/zinc/17/12/00/531171200.db2.gz HVHNLJWSCKKACQ-UHFFFAOYSA-N 0 3 383.495 0.943 20 0 GCADHN CS(=O)(=O)N1CCC[C@@H]1CN[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000556120494 531172798 /nfs/dbraw/zinc/17/27/98/531172798.db2.gz REZGSRYRWCKLIS-CZUORRHYSA-N 0 3 387.527 0.725 20 0 GCADHN C[C@@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCOC1 ZINC000440510739 531173940 /nfs/dbraw/zinc/17/39/40/531173940.db2.gz QKDSSMZVSPXVFF-ZIAGYGMSSA-N 0 3 390.527 0.725 20 0 GCADHN C[C@@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H]1CCOC1 ZINC000440510317 531173678 /nfs/dbraw/zinc/17/36/78/531173678.db2.gz QKDSSMZVSPXVFF-KGLIPLIRSA-N 0 3 390.527 0.725 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000440836571 531177273 /nfs/dbraw/zinc/17/72/73/531177273.db2.gz HGMCXGNUAXRINV-LLVKDONJSA-N 0 3 377.488 0.345 20 0 GCADHN CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000564827196 531176752 /nfs/dbraw/zinc/17/67/52/531176752.db2.gz FGIBAPQDTOWJFE-LLVKDONJSA-N 0 3 389.319 0.570 20 0 GCADHN C[C@H]1CCNC[C@@H]1NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000440850317 531178102 /nfs/dbraw/zinc/17/81/02/531178102.db2.gz SRRPHHNTAJWSFT-ONGXEEELSA-N 0 3 382.408 0.594 20 0 GCADHN COc1cc(Br)c(S(=O)(=O)NC[C@H]2CNCCO2)cc1OC ZINC000262298568 531179271 /nfs/dbraw/zinc/17/92/71/531179271.db2.gz OICBHNMYYFZNAA-SECBINFHSA-N 0 3 395.275 0.733 20 0 GCADHN C[C@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)CN1C1CC1 ZINC000440945007 531178619 /nfs/dbraw/zinc/17/86/19/531178619.db2.gz ZIJMRDIQPODTMG-STQMWFEESA-N 0 3 376.548 0.289 20 0 GCADHN C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441163587 531179859 /nfs/dbraw/zinc/17/98/59/531179859.db2.gz FAWWGHVOSNMDEB-GFCCVEGCSA-N 0 3 376.429 0.637 20 0 GCADHN C[N@H+]1CCC[C@@H]1CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441163587 531179861 /nfs/dbraw/zinc/17/98/61/531179861.db2.gz FAWWGHVOSNMDEB-GFCCVEGCSA-N 0 3 376.429 0.637 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[S@@](=O)C2)cc1Cl ZINC000441221716 531180669 /nfs/dbraw/zinc/18/06/69/531180669.db2.gz WNGXEOFNUICQGX-UOXLDJKESA-N 0 3 387.889 0.856 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[S@](=O)C2)cc1Cl ZINC000441221726 531180715 /nfs/dbraw/zinc/18/07/15/531180715.db2.gz WNGXEOFNUICQGX-YDBLSZJJSA-N 0 3 387.889 0.856 20 0 GCADHN COc1cc(Cl)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC ZINC000565239186 531182664 /nfs/dbraw/zinc/18/26/64/531182664.db2.gz JSRQCQWTQBJPNU-MWLCHTKSSA-N 0 3 389.861 0.290 20 0 GCADHN COc1cc(Cl)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC ZINC000565239185 531182953 /nfs/dbraw/zinc/18/29/53/531182953.db2.gz JSRQCQWTQBJPNU-KOLCDFICSA-N 0 3 389.861 0.290 20 0 GCADHN Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1Br ZINC000565251630 531183591 /nfs/dbraw/zinc/18/35/91/531183591.db2.gz URDUSTGHUZPGBC-GHMZBOCLSA-N 0 3 395.257 0.466 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCc3ccccc3Br)CCN2C1=O ZINC000565668456 531188513 /nfs/dbraw/zinc/18/85/13/531188513.db2.gz ABHMJFLSZJSCTH-JSGCOSHPSA-N 0 3 381.274 0.945 20 0 GCADHN NC(=O)NC(=O)CCNCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000565654369 531188790 /nfs/dbraw/zinc/18/87/90/531188790.db2.gz KKQLKKWAVVPPNA-UHFFFAOYSA-N 0 3 388.515 0.640 20 0 GCADHN CN1CCCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000442618029 531189159 /nfs/dbraw/zinc/18/91/59/531189159.db2.gz FZYNJAZOVZJIIK-UHFFFAOYSA-N 0 3 376.429 0.590 20 0 GCADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(F)c2)C[C@@H]1N(C)C ZINC000565747083 531190148 /nfs/dbraw/zinc/19/01/48/531190148.db2.gz ZDDFSSJEMLSXJV-KBPBESRZSA-N 0 3 375.491 0.608 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000153422048 531190997 /nfs/dbraw/zinc/19/09/97/531190997.db2.gz QKHMFZPFYBALEE-AWEZNQCLSA-N 0 3 376.251 0.543 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CCSC1 ZINC000565906750 531191602 /nfs/dbraw/zinc/19/16/02/531191602.db2.gz WMPSVCIKBVVXFB-RRQGHBQHSA-N 0 3 387.571 0.711 20 0 GCADHN O=S1(=O)CCO[C@H](CNC[C@H](O)COc2cccc(Br)c2)C1 ZINC000566112187 531194320 /nfs/dbraw/zinc/19/43/20/531194320.db2.gz RRIYMFVEAGRIBE-GXTWGEPZSA-N 0 3 394.287 0.592 20 0 GCADHN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000030496749 531196021 /nfs/dbraw/zinc/19/60/21/531196021.db2.gz VMCGVIHCLDUKOP-UHFFFAOYSA-N 0 3 382.467 0.240 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443101324 531197386 /nfs/dbraw/zinc/19/73/86/531197386.db2.gz HZSLMPULVLUKEE-CABCVRRESA-N 0 3 375.535 0.664 20 0 GCADHN COCCN(C)C[C@@H](O)Cn1nnc(Cc2ccccc2Br)n1 ZINC000566482106 531198384 /nfs/dbraw/zinc/19/83/84/531198384.db2.gz RUQSLYZWNJYTGS-CYBMUJFWSA-N 0 3 384.278 0.966 20 0 GCADHN C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(NC(N)=O)cc1 ZINC000736132698 598837104 /nfs/dbraw/zinc/83/71/04/598837104.db2.gz CGFAIFHCHXKEPY-WDEREUQCSA-N 0 3 382.432 0.946 20 0 GCADHN C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(NC(N)=O)cc1 ZINC000736132698 598837105 /nfs/dbraw/zinc/83/71/05/598837105.db2.gz CGFAIFHCHXKEPY-WDEREUQCSA-N 0 3 382.432 0.946 20 0 GCADHN C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(NC(N)=O)cc1 ZINC000736132693 598837177 /nfs/dbraw/zinc/83/71/77/598837177.db2.gz CGFAIFHCHXKEPY-MNOVXSKESA-N 0 3 382.432 0.946 20 0 GCADHN C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(NC(N)=O)cc1 ZINC000736132693 598837178 /nfs/dbraw/zinc/83/71/78/598837178.db2.gz CGFAIFHCHXKEPY-MNOVXSKESA-N 0 3 382.432 0.946 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]C1CCN(C[C@H]3CCCO3)CC1)C2 ZINC000738450099 598838076 /nfs/dbraw/zinc/83/80/76/598838076.db2.gz OBNVWRRPPLXVSX-UKRRQHHQSA-N 0 3 387.492 0.338 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]C1CCN(C[C@H]3CCCO3)CC1)C2 ZINC000738450099 598838077 /nfs/dbraw/zinc/83/80/77/598838077.db2.gz OBNVWRRPPLXVSX-UKRRQHHQSA-N 0 3 387.492 0.338 20 0 GCADHN C[C@H](Cn1cccn1)[NH2+]CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736079114 598840984 /nfs/dbraw/zinc/84/09/84/598840984.db2.gz NDQVIQQVPOCMKA-CYBMUJFWSA-N 0 3 392.427 0.866 20 0 GCADHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000737488908 598841764 /nfs/dbraw/zinc/84/17/64/598841764.db2.gz AKXWWXGJQWLFDI-UKRRQHHQSA-N 0 3 379.428 0.477 20 0 GCADHN COC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736905073 598872734 /nfs/dbraw/zinc/87/27/34/598872734.db2.gz AAZSAOZRYGACAZ-GDBMZVCRSA-N 0 3 387.440 0.882 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000737296234 598931205 /nfs/dbraw/zinc/93/12/05/598931205.db2.gz GCZACHXYRILLRZ-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000737296234 598931206 /nfs/dbraw/zinc/93/12/06/598931206.db2.gz GCZACHXYRILLRZ-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000737296234 598931207 /nfs/dbraw/zinc/93/12/07/598931207.db2.gz GCZACHXYRILLRZ-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000737296234 598931208 /nfs/dbraw/zinc/93/12/08/598931208.db2.gz GCZACHXYRILLRZ-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000737221754 598950455 /nfs/dbraw/zinc/95/04/55/598950455.db2.gz QFLMOYMQTRYPBP-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000737221754 598950456 /nfs/dbraw/zinc/95/04/56/598950456.db2.gz QFLMOYMQTRYPBP-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000737221754 598950458 /nfs/dbraw/zinc/95/04/58/598950458.db2.gz QFLMOYMQTRYPBP-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000737221754 598950460 /nfs/dbraw/zinc/95/04/60/598950460.db2.gz QFLMOYMQTRYPBP-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN O=C(C1CC1)N1CCC([NH2+][C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000737780815 598960070 /nfs/dbraw/zinc/96/00/70/598960070.db2.gz FQPHOTKQOFTWPK-KRWDZBQOSA-N 0 3 395.467 0.963 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737161939 599010756 /nfs/dbraw/zinc/01/07/56/599010756.db2.gz ODIBKDKNBOSDBO-SDDRHHMPSA-N 0 3 380.478 0.050 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737161939 599010758 /nfs/dbraw/zinc/01/07/58/599010758.db2.gz ODIBKDKNBOSDBO-SDDRHHMPSA-N 0 3 380.478 0.050 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]Cc1ccc(C3OCCO3)cc1)C2 ZINC000738413064 599011187 /nfs/dbraw/zinc/01/11/87/599011187.db2.gz QPSKILSWGQVWFZ-ZDUSSCGKSA-N 0 3 382.428 0.940 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]Cc1ccc(C3OCCO3)cc1)C2 ZINC000738413064 599011189 /nfs/dbraw/zinc/01/11/89/599011189.db2.gz QPSKILSWGQVWFZ-ZDUSSCGKSA-N 0 3 382.428 0.940 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736854223 599035088 /nfs/dbraw/zinc/03/50/88/599035088.db2.gz BSQKEVMXKVNWCY-OAHLLOKOSA-N 0 3 385.472 0.484 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736854223 599035091 /nfs/dbraw/zinc/03/50/91/599035091.db2.gz BSQKEVMXKVNWCY-OAHLLOKOSA-N 0 3 385.472 0.484 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736854223 599035094 /nfs/dbraw/zinc/03/50/94/599035094.db2.gz BSQKEVMXKVNWCY-OAHLLOKOSA-N 0 3 385.472 0.484 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736854223 599035097 /nfs/dbraw/zinc/03/50/97/599035097.db2.gz BSQKEVMXKVNWCY-OAHLLOKOSA-N 0 3 385.472 0.484 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736856026 599035118 /nfs/dbraw/zinc/03/51/18/599035118.db2.gz KGXRAWNYRPGPCD-MRXNPFEDSA-N 0 3 385.472 0.484 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736856026 599035121 /nfs/dbraw/zinc/03/51/21/599035121.db2.gz KGXRAWNYRPGPCD-MRXNPFEDSA-N 0 3 385.472 0.484 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000735560075 599078675 /nfs/dbraw/zinc/07/86/75/599078675.db2.gz PBBSVGFPIBHYQL-AWEZNQCLSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000735560075 599078678 /nfs/dbraw/zinc/07/86/78/599078678.db2.gz PBBSVGFPIBHYQL-AWEZNQCLSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000735560075 599078679 /nfs/dbraw/zinc/07/86/79/599078679.db2.gz PBBSVGFPIBHYQL-AWEZNQCLSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000735560075 599078682 /nfs/dbraw/zinc/07/86/82/599078682.db2.gz PBBSVGFPIBHYQL-AWEZNQCLSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000735560636 599079199 /nfs/dbraw/zinc/07/91/99/599079199.db2.gz DVUSLOGEYUKUJB-YJBOKZPZSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560636 599079202 /nfs/dbraw/zinc/07/92/02/599079202.db2.gz DVUSLOGEYUKUJB-YJBOKZPZSA-N 0 3 398.515 0.906 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736768662 599123341 /nfs/dbraw/zinc/12/33/41/599123341.db2.gz HHJAOQBZWPDKEK-UHFFFAOYSA-N 0 3 380.474 0.598 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736768662 599123344 /nfs/dbraw/zinc/12/33/44/599123344.db2.gz HHJAOQBZWPDKEK-UHFFFAOYSA-N 0 3 380.474 0.598 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736858564 599149604 /nfs/dbraw/zinc/14/96/04/599149604.db2.gz SWHXXGSKPJNIAZ-MRXNPFEDSA-N 0 3 398.471 0.044 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736858564 599149605 /nfs/dbraw/zinc/14/96/05/599149605.db2.gz SWHXXGSKPJNIAZ-MRXNPFEDSA-N 0 3 398.471 0.044 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000736759856 599202371 /nfs/dbraw/zinc/20/23/71/599202371.db2.gz XUWOQSHFUIHOQH-IAGOWNOFSA-N 0 3 385.472 0.625 20 0 GCADHN C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736758689 599210268 /nfs/dbraw/zinc/21/02/68/599210268.db2.gz IIEGDSAPEPOVOJ-JTQLQIEISA-N 0 3 386.865 0.471 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822054467 607272556 /nfs/dbraw/zinc/27/25/56/607272556.db2.gz ZVRRFYYXKJKLPR-CYBMUJFWSA-N 0 3 387.444 0.077 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821689418 607272993 /nfs/dbraw/zinc/27/29/93/607272993.db2.gz ZOQJCAPLIWXIRF-UHFFFAOYSA-N 0 3 375.433 0.198 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821689418 607272994 /nfs/dbraw/zinc/27/29/94/607272994.db2.gz ZOQJCAPLIWXIRF-UHFFFAOYSA-N 0 3 375.433 0.198 20 0 GCADHN Cc1cccc2c1ncc(-c1nn[nH]n1)c2N1CCN(C(=O)CN(C)C)CC1 ZINC000737410958 599270404 /nfs/dbraw/zinc/27/04/04/599270404.db2.gz WIJMHGAPWHJKNN-UHFFFAOYSA-N 0 3 380.456 0.934 20 0 GCADHN C[NH+](C)Cc1ccc(C(N)=O)cc1NC[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821586985 607317740 /nfs/dbraw/zinc/31/77/40/607317740.db2.gz AMTBJJDMSCECEO-LLVKDONJSA-N 0 3 396.459 0.378 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821351131 607343361 /nfs/dbraw/zinc/34/33/61/607343361.db2.gz LOCHDVKRMDIUPF-GFCCVEGCSA-N 0 3 393.423 0.417 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821351131 607343363 /nfs/dbraw/zinc/34/33/63/607343363.db2.gz LOCHDVKRMDIUPF-GFCCVEGCSA-N 0 3 393.423 0.417 20 0 GCADHN CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736847054 598239659 /nfs/dbraw/zinc/23/96/59/598239659.db2.gz DPSCNMUCNKPXQC-LBPRGKRZSA-N 0 3 381.444 0.658 20 0 GCADHN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736847054 598239661 /nfs/dbraw/zinc/23/96/61/598239661.db2.gz DPSCNMUCNKPXQC-LBPRGKRZSA-N 0 3 381.444 0.658 20 0 GCADHN CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736847054 598239663 /nfs/dbraw/zinc/23/96/63/598239663.db2.gz DPSCNMUCNKPXQC-LBPRGKRZSA-N 0 3 381.444 0.658 20 0 GCADHN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736847054 598239665 /nfs/dbraw/zinc/23/96/65/598239665.db2.gz DPSCNMUCNKPXQC-LBPRGKRZSA-N 0 3 381.444 0.658 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000737776402 598260090 /nfs/dbraw/zinc/26/00/90/598260090.db2.gz LZXMNPZHNPOCCL-AWEZNQCLSA-N 0 3 379.428 0.555 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000737776402 598260093 /nfs/dbraw/zinc/26/00/93/598260093.db2.gz LZXMNPZHNPOCCL-AWEZNQCLSA-N 0 3 379.428 0.555 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000737776402 598260095 /nfs/dbraw/zinc/26/00/95/598260095.db2.gz LZXMNPZHNPOCCL-AWEZNQCLSA-N 0 3 379.428 0.555 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000737776402 598260096 /nfs/dbraw/zinc/26/00/96/598260096.db2.gz LZXMNPZHNPOCCL-AWEZNQCLSA-N 0 3 379.428 0.555 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000112907516 598271825 /nfs/dbraw/zinc/27/18/25/598271825.db2.gz LTMJMOFQCJSVDS-IAGOWNOFSA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000112907516 598271827 /nfs/dbraw/zinc/27/18/27/598271827.db2.gz LTMJMOFQCJSVDS-IAGOWNOFSA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736573224 598273206 /nfs/dbraw/zinc/27/32/06/598273206.db2.gz YIMZOYPXBLQQOW-IAGOWNOFSA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736573224 598273208 /nfs/dbraw/zinc/27/32/08/598273208.db2.gz YIMZOYPXBLQQOW-IAGOWNOFSA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736573224 598273210 /nfs/dbraw/zinc/27/32/10/598273210.db2.gz YIMZOYPXBLQQOW-IAGOWNOFSA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736573224 598273211 /nfs/dbraw/zinc/27/32/11/598273211.db2.gz YIMZOYPXBLQQOW-IAGOWNOFSA-N 0 3 397.483 0.816 20 0 GCADHN CC[NH+]1CCC(CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC1 ZINC000736565031 598303338 /nfs/dbraw/zinc/30/33/38/598303338.db2.gz GBIRPLRHRWKWTD-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN CC[NH+]1CCC(CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC1 ZINC000736565031 598303339 /nfs/dbraw/zinc/30/33/39/598303339.db2.gz GBIRPLRHRWKWTD-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736705451 598348779 /nfs/dbraw/zinc/34/87/79/598348779.db2.gz JAYCWZCMSNVQKG-ZIAGYGMSSA-N 0 3 384.444 0.365 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736146136 598349145 /nfs/dbraw/zinc/34/91/45/598349145.db2.gz XLNFCMWQMMGFGI-KBPBESRZSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736146136 598349148 /nfs/dbraw/zinc/34/91/48/598349148.db2.gz XLNFCMWQMMGFGI-KBPBESRZSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736146136 598349149 /nfs/dbraw/zinc/34/91/49/598349149.db2.gz XLNFCMWQMMGFGI-KBPBESRZSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736146136 598349154 /nfs/dbraw/zinc/34/91/54/598349154.db2.gz XLNFCMWQMMGFGI-KBPBESRZSA-N 0 3 387.488 0.971 20 0 GCADHN Cc1oc(NC(=O)CN2CCC([N@@H+](C)C[C@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000737552858 598350345 /nfs/dbraw/zinc/35/03/45/598350345.db2.gz ROWAOWCLLWGNGS-NSHDSACASA-N 0 3 391.476 0.792 20 0 GCADHN Cc1oc(NC(=O)CN2CCC([N@H+](C)C[C@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000737552858 598350348 /nfs/dbraw/zinc/35/03/48/598350348.db2.gz ROWAOWCLLWGNGS-NSHDSACASA-N 0 3 391.476 0.792 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736860246 598350855 /nfs/dbraw/zinc/35/08/55/598350855.db2.gz MWEITTJBEMXXRQ-HZPDHXFCSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736860246 598350857 /nfs/dbraw/zinc/35/08/57/598350857.db2.gz MWEITTJBEMXXRQ-HZPDHXFCSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736860246 598350859 /nfs/dbraw/zinc/35/08/59/598350859.db2.gz MWEITTJBEMXXRQ-HZPDHXFCSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736860246 598350861 /nfs/dbraw/zinc/35/08/61/598350861.db2.gz MWEITTJBEMXXRQ-HZPDHXFCSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@H+](CCO)C1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000736801419 598366357 /nfs/dbraw/zinc/36/63/57/598366357.db2.gz KKEFDYMVMDTPQN-UHFFFAOYSA-N 0 3 393.879 0.847 20 0 GCADHN C[N@@H+](CCO)C1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000736801419 598366358 /nfs/dbraw/zinc/36/63/58/598366358.db2.gz KKEFDYMVMDTPQN-UHFFFAOYSA-N 0 3 393.879 0.847 20 0 GCADHN C[N@H+](CCO)C1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000736801419 598366360 /nfs/dbraw/zinc/36/63/60/598366360.db2.gz KKEFDYMVMDTPQN-UHFFFAOYSA-N 0 3 393.879 0.847 20 0 GCADHN C[N@@H+](CCO)C1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000736801419 598366362 /nfs/dbraw/zinc/36/63/62/598366362.db2.gz KKEFDYMVMDTPQN-UHFFFAOYSA-N 0 3 393.879 0.847 20 0 GCADHN C[N@H+](CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736801150 598404349 /nfs/dbraw/zinc/40/43/49/598404349.db2.gz SLMIZNALLHSSCK-UHFFFAOYSA-N 0 3 385.472 0.977 20 0 GCADHN C[N@@H+](CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736801150 598404351 /nfs/dbraw/zinc/40/43/51/598404351.db2.gz SLMIZNALLHSSCK-UHFFFAOYSA-N 0 3 385.472 0.977 20 0 GCADHN C[N@H+](CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736801150 598404352 /nfs/dbraw/zinc/40/43/52/598404352.db2.gz SLMIZNALLHSSCK-UHFFFAOYSA-N 0 3 385.472 0.977 20 0 GCADHN C[N@@H+](CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736801150 598404354 /nfs/dbraw/zinc/40/43/54/598404354.db2.gz SLMIZNALLHSSCK-UHFFFAOYSA-N 0 3 385.472 0.977 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735881067 598406051 /nfs/dbraw/zinc/40/60/51/598406051.db2.gz GIHCTXCKCZCAIT-CQSZACIVSA-N 0 3 385.472 0.833 20 0 GCADHN CC(C)[N@H+]1CCC[C@H](CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735881067 598406052 /nfs/dbraw/zinc/40/60/52/598406052.db2.gz GIHCTXCKCZCAIT-CQSZACIVSA-N 0 3 385.472 0.833 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735881067 598406054 /nfs/dbraw/zinc/40/60/54/598406054.db2.gz GIHCTXCKCZCAIT-CQSZACIVSA-N 0 3 385.472 0.833 20 0 GCADHN CC(C)[N@H+]1CCC[C@H](CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735881067 598406056 /nfs/dbraw/zinc/40/60/56/598406056.db2.gz GIHCTXCKCZCAIT-CQSZACIVSA-N 0 3 385.472 0.833 20 0 GCADHN COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736980937 598412879 /nfs/dbraw/zinc/41/28/79/598412879.db2.gz HXCCYHFWMGDSGQ-UHFFFAOYSA-N 0 3 387.444 0.422 20 0 GCADHN COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736980937 598412881 /nfs/dbraw/zinc/41/28/81/598412881.db2.gz HXCCYHFWMGDSGQ-UHFFFAOYSA-N 0 3 387.444 0.422 20 0 GCADHN CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736565300 598486580 /nfs/dbraw/zinc/48/65/80/598486580.db2.gz IZJGMUBFWNIAEP-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736565300 598486582 /nfs/dbraw/zinc/48/65/82/598486582.db2.gz IZJGMUBFWNIAEP-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736565300 598486584 /nfs/dbraw/zinc/48/65/84/598486584.db2.gz IZJGMUBFWNIAEP-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736565300 598486585 /nfs/dbraw/zinc/48/65/85/598486585.db2.gz IZJGMUBFWNIAEP-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN c1cnn(-c2cc(C[NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)ccn2)c1 ZINC000738448251 598522592 /nfs/dbraw/zinc/52/25/92/598522592.db2.gz NAWHTNWWJWWKAC-ZDUSSCGKSA-N 0 3 377.416 0.475 20 0 GCADHN c1cnn(-c2cc(C[NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)ccn2)c1 ZINC000738448251 598522594 /nfs/dbraw/zinc/52/25/94/598522594.db2.gz NAWHTNWWJWWKAC-ZDUSSCGKSA-N 0 3 377.416 0.475 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@H]1CCCN(c3ncccn3)C1)C2 ZINC000738446338 598523715 /nfs/dbraw/zinc/52/37/15/598523715.db2.gz WEVIJFQJPZBSPT-STQMWFEESA-N 0 3 381.448 0.154 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@H]1CCCN(c3ncccn3)C1)C2 ZINC000738446338 598523716 /nfs/dbraw/zinc/52/37/16/598523716.db2.gz WEVIJFQJPZBSPT-STQMWFEESA-N 0 3 381.448 0.154 20 0 GCADHN FC(F)(F)CN1CC[C@H](C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737627743 598523788 /nfs/dbraw/zinc/52/37/88/598523788.db2.gz PMJKIADZUJXKNM-GHMZBOCLSA-N 0 3 385.398 0.579 20 0 GCADHN FC(F)(F)CN1CC[C@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737627743 598523789 /nfs/dbraw/zinc/52/37/89/598523789.db2.gz PMJKIADZUJXKNM-GHMZBOCLSA-N 0 3 385.398 0.579 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+][C@@H]1CCCN(c3ncccn3)C1)C2 ZINC000738446335 598523905 /nfs/dbraw/zinc/52/39/05/598523905.db2.gz WEVIJFQJPZBSPT-CHWSQXEVSA-N 0 3 381.448 0.154 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+][C@@H]1CCCN(c3ncccn3)C1)C2 ZINC000738446335 598523907 /nfs/dbraw/zinc/52/39/07/598523907.db2.gz WEVIJFQJPZBSPT-CHWSQXEVSA-N 0 3 381.448 0.154 20 0 GCADHN C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)NCc1ccccc1 ZINC000736133248 598524389 /nfs/dbraw/zinc/52/43/89/598524389.db2.gz GRDCFTIHSVIOND-GXTWGEPZSA-N 0 3 381.444 0.399 20 0 GCADHN CN(C)C(=O)C[C@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000736745321 598525975 /nfs/dbraw/zinc/52/59/75/598525975.db2.gz GASIYCJKVOQOHN-BBRMVZONSA-N 0 3 395.471 0.914 20 0 GCADHN CN(C)C(=O)C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1 ZINC000736745321 598525977 /nfs/dbraw/zinc/52/59/77/598525977.db2.gz GASIYCJKVOQOHN-BBRMVZONSA-N 0 3 395.471 0.914 20 0 GCADHN COc1ccc(OC)c(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737109012 598526208 /nfs/dbraw/zinc/52/62/08/598526208.db2.gz NRWUQBVXPNJKQT-LBPRGKRZSA-N 0 3 384.444 0.954 20 0 GCADHN COc1ccc(OC)c(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737109012 598526210 /nfs/dbraw/zinc/52/62/10/598526210.db2.gz NRWUQBVXPNJKQT-LBPRGKRZSA-N 0 3 384.444 0.954 20 0 GCADHN CCOc1ccc(NC(=O)C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736647814 598526363 /nfs/dbraw/zinc/52/63/63/598526363.db2.gz UHQGYQHLEJBADP-GFCCVEGCSA-N 0 3 397.443 0.732 20 0 GCADHN Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737400949 598526497 /nfs/dbraw/zinc/52/64/97/598526497.db2.gz HQSXSOSLRCTWNQ-KGLIPLIRSA-N 0 3 384.444 0.443 20 0 GCADHN Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737400949 598526498 /nfs/dbraw/zinc/52/64/98/598526498.db2.gz HQSXSOSLRCTWNQ-KGLIPLIRSA-N 0 3 384.444 0.443 20 0 GCADHN O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737967984 598528329 /nfs/dbraw/zinc/52/83/29/598528329.db2.gz CALHSSVYJXCVGW-CYBMUJFWSA-N 0 3 399.434 0.193 20 0 GCADHN O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737967984 598528331 /nfs/dbraw/zinc/52/83/31/598528331.db2.gz CALHSSVYJXCVGW-CYBMUJFWSA-N 0 3 399.434 0.193 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000737776682 598536825 /nfs/dbraw/zinc/53/68/25/598536825.db2.gz PGIUWTMWUOHUIZ-LBPRGKRZSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000737776682 598536826 /nfs/dbraw/zinc/53/68/26/598536826.db2.gz PGIUWTMWUOHUIZ-LBPRGKRZSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000737776682 598536828 /nfs/dbraw/zinc/53/68/28/598536828.db2.gz PGIUWTMWUOHUIZ-LBPRGKRZSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000737776682 598536830 /nfs/dbraw/zinc/53/68/30/598536830.db2.gz PGIUWTMWUOHUIZ-LBPRGKRZSA-N 0 3 393.455 0.849 20 0 GCADHN O=C(C1CCC1)N(CCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C1CC1 ZINC000737783197 598561996 /nfs/dbraw/zinc/56/19/96/598561996.db2.gz IUXFHUVNNGGIFD-ZDUSSCGKSA-N 0 3 399.503 0.876 20 0 GCADHN O=C(C1CCC1)N(CCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C1CC1 ZINC000737783197 598561998 /nfs/dbraw/zinc/56/19/98/598561998.db2.gz IUXFHUVNNGGIFD-ZDUSSCGKSA-N 0 3 399.503 0.876 20 0 GCADHN C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735987279 598563257 /nfs/dbraw/zinc/56/32/57/598563257.db2.gz XQQKCCZJWVVGGB-SECBINFHSA-N 0 3 397.386 0.863 20 0 GCADHN C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735987279 598563259 /nfs/dbraw/zinc/56/32/59/598563259.db2.gz XQQKCCZJWVVGGB-SECBINFHSA-N 0 3 397.386 0.863 20 0 GCADHN C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736754584 598563776 /nfs/dbraw/zinc/56/37/76/598563776.db2.gz ZFSAADVXWFTYRM-UHFFFAOYSA-N 0 3 397.386 0.863 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736745302 598569753 /nfs/dbraw/zinc/56/97/53/598569753.db2.gz FYIKYTCWDUFEJJ-UHFFFAOYSA-N 0 3 399.499 0.858 20 0 GCADHN O=C(CC[N@@H+](CCO)CCCO)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737839877 598620491 /nfs/dbraw/zinc/62/04/91/598620491.db2.gz WGYMMGSLSWISGV-UHFFFAOYSA-N 0 3 394.501 0.812 20 0 GCADHN O=C(CC[N@H+](CCO)CCCO)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737839877 598620492 /nfs/dbraw/zinc/62/04/92/598620492.db2.gz WGYMMGSLSWISGV-UHFFFAOYSA-N 0 3 394.501 0.812 20 0 GCADHN O=C(CC[N@@H+](CCO)CCCO)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737839877 598620497 /nfs/dbraw/zinc/62/04/97/598620497.db2.gz WGYMMGSLSWISGV-UHFFFAOYSA-N 0 3 394.501 0.812 20 0 GCADHN O=C(CC[N@H+](CCO)CCCO)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737839877 598620498 /nfs/dbraw/zinc/62/04/98/598620498.db2.gz WGYMMGSLSWISGV-UHFFFAOYSA-N 0 3 394.501 0.812 20 0 GCADHN O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000738162781 598639852 /nfs/dbraw/zinc/63/98/52/598639852.db2.gz MNXUPHNXOMMMMB-UHFFFAOYSA-N 0 3 387.419 0.935 20 0 GCADHN O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000738162781 598639854 /nfs/dbraw/zinc/63/98/54/598639854.db2.gz MNXUPHNXOMMMMB-UHFFFAOYSA-N 0 3 387.419 0.935 20 0 GCADHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735873933 598639930 /nfs/dbraw/zinc/63/99/30/598639930.db2.gz BUZFXEVQFXKZHB-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735873933 598639931 /nfs/dbraw/zinc/63/99/31/598639931.db2.gz BUZFXEVQFXKZHB-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735873933 598639932 /nfs/dbraw/zinc/63/99/32/598639932.db2.gz BUZFXEVQFXKZHB-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735873933 598639933 /nfs/dbraw/zinc/63/99/33/598639933.db2.gz BUZFXEVQFXKZHB-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN O=C(COc1ccc(-c2nn[nH]n2)cc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000737919051 598671715 /nfs/dbraw/zinc/67/17/15/598671715.db2.gz IZLQXMZUHUAQSR-UHFFFAOYSA-N 0 3 399.455 0.012 20 0 GCADHN O=C(NC1CC[NH+](CCO)CC1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738026736 598733089 /nfs/dbraw/zinc/73/30/89/598733089.db2.gz UWWDDTONAGIPRN-UHFFFAOYSA-N 0 3 385.472 0.997 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nnn[n-]2)C1 ZINC000736848774 598814552 /nfs/dbraw/zinc/81/45/52/598814552.db2.gz NDWCVYUELKSCDG-ZDUSSCGKSA-N 0 3 395.471 0.635 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nnn[n-]2)C1 ZINC000736848774 598814553 /nfs/dbraw/zinc/81/45/53/598814553.db2.gz NDWCVYUELKSCDG-ZDUSSCGKSA-N 0 3 395.471 0.635 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nn[n-]n2)C1 ZINC000736848774 598814554 /nfs/dbraw/zinc/81/45/54/598814554.db2.gz NDWCVYUELKSCDG-ZDUSSCGKSA-N 0 3 395.471 0.635 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nn[n-]n2)C1 ZINC000736848774 598814555 /nfs/dbraw/zinc/81/45/55/598814555.db2.gz NDWCVYUELKSCDG-ZDUSSCGKSA-N 0 3 395.471 0.635 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](CCOc3cccc(-c4nnn[n-]4)c3)C[C@H]2C)CC1 ZINC000735464658 599298290 /nfs/dbraw/zinc/29/82/90/599298290.db2.gz CQATYKYVWWDJGM-BEFAXECRSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](CCOc3cccc(-c4nnn[n-]4)c3)C[C@H]2C)CC1 ZINC000735464658 599298292 /nfs/dbraw/zinc/29/82/92/599298292.db2.gz CQATYKYVWWDJGM-BEFAXECRSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](CCOc3cccc(-c4nn[n-]n4)c3)C[C@H]2C)CC1 ZINC000735464658 599298293 /nfs/dbraw/zinc/29/82/93/599298293.db2.gz CQATYKYVWWDJGM-BEFAXECRSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](CCOc3cccc(-c4nn[n-]n4)c3)C[C@H]2C)CC1 ZINC000735464658 599298295 /nfs/dbraw/zinc/29/82/95/599298295.db2.gz CQATYKYVWWDJGM-BEFAXECRSA-N 0 3 399.499 0.730 20 0 GCADHN C[C@@H](CNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)CN1CCN(C)CC1 ZINC000820275779 599353496 /nfs/dbraw/zinc/35/34/96/599353496.db2.gz RREDLONGUAQIIR-AWEZNQCLSA-N 0 3 393.517 0.170 20 0 GCADHN CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000821442685 599400845 /nfs/dbraw/zinc/40/08/45/599400845.db2.gz VEDJGVKGBUGOAB-UHFFFAOYSA-N 0 3 380.474 0.779 20 0 GCADHN CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000821442685 599400848 /nfs/dbraw/zinc/40/08/48/599400848.db2.gz VEDJGVKGBUGOAB-UHFFFAOYSA-N 0 3 380.474 0.779 20 0 GCADHN c1cc(-c2nnn[n-]2)oc1C[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000823809895 599429707 /nfs/dbraw/zinc/42/97/07/599429707.db2.gz ROOASTIAMLXLPW-UHFFFAOYSA-N 0 3 383.460 0.942 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(=O)N1c1ccccc1 ZINC000820656884 599453822 /nfs/dbraw/zinc/45/38/22/599453822.db2.gz HZDNJIWSSTYDLY-WWGRRREGSA-N 0 3 393.455 0.889 20 0 GCADHN NS(=O)(=O)c1ccc(NC2CC[NH+](CC3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822894559 599487529 /nfs/dbraw/zinc/48/75/29/599487529.db2.gz AZUHFHJIDYHCLS-UHFFFAOYSA-N 0 3 377.474 0.800 20 0 GCADHN NS(=O)(=O)c1ccc(NC2CC[NH+](CC3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822894559 599487530 /nfs/dbraw/zinc/48/75/30/599487530.db2.gz AZUHFHJIDYHCLS-UHFFFAOYSA-N 0 3 377.474 0.800 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738024405 599493795 /nfs/dbraw/zinc/49/37/95/599493795.db2.gz KZVMDAXLNXSDGJ-MRXNPFEDSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738024405 599493799 /nfs/dbraw/zinc/49/37/99/599493799.db2.gz KZVMDAXLNXSDGJ-MRXNPFEDSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738024405 599493801 /nfs/dbraw/zinc/49/38/01/599493801.db2.gz KZVMDAXLNXSDGJ-MRXNPFEDSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738024405 599493803 /nfs/dbraw/zinc/49/38/03/599493803.db2.gz KZVMDAXLNXSDGJ-MRXNPFEDSA-N 0 3 397.487 0.578 20 0 GCADHN COCCC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000821687992 599518912 /nfs/dbraw/zinc/51/89/12/599518912.db2.gz YVPNOBGJRPFTRL-UHFFFAOYSA-N 0 3 395.489 0.427 20 0 GCADHN COCCC[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000821687992 599518913 /nfs/dbraw/zinc/51/89/13/599518913.db2.gz YVPNOBGJRPFTRL-UHFFFAOYSA-N 0 3 395.489 0.427 20 0 GCADHN C[N@H+](CCO)C1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000821602807 599573941 /nfs/dbraw/zinc/57/39/41/599573941.db2.gz VWCWMCUHDFFHCY-UHFFFAOYSA-N 0 3 384.444 0.805 20 0 GCADHN C[N@@H+](CCO)C1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000821602807 599573946 /nfs/dbraw/zinc/57/39/46/599573946.db2.gz VWCWMCUHDFFHCY-UHFFFAOYSA-N 0 3 384.444 0.805 20 0 GCADHN C[N@H+](CCO)C1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000821602807 599573948 /nfs/dbraw/zinc/57/39/48/599573948.db2.gz VWCWMCUHDFFHCY-UHFFFAOYSA-N 0 3 384.444 0.805 20 0 GCADHN C[N@@H+](CCO)C1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000821602807 599573951 /nfs/dbraw/zinc/57/39/51/599573951.db2.gz VWCWMCUHDFFHCY-UHFFFAOYSA-N 0 3 384.444 0.805 20 0 GCADHN C[NH+](C)[C@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C1 ZINC000736757430 599577657 /nfs/dbraw/zinc/57/76/57/599577657.db2.gz SKTZTUBVIAWZEO-HNNXBMFYSA-N 0 3 398.471 0.614 20 0 GCADHN C[NH+](C)[C@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000736757430 599577658 /nfs/dbraw/zinc/57/76/58/599577658.db2.gz SKTZTUBVIAWZEO-HNNXBMFYSA-N 0 3 398.471 0.614 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C1 ZINC000736759472 599581067 /nfs/dbraw/zinc/58/10/67/599581067.db2.gz RVDDIUCPBWLHPZ-ORAYPTAESA-N 0 3 398.471 0.475 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736759472 599581068 /nfs/dbraw/zinc/58/10/68/599581068.db2.gz RVDDIUCPBWLHPZ-ORAYPTAESA-N 0 3 398.471 0.475 20 0 GCADHN COCCOC[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691852 599587358 /nfs/dbraw/zinc/58/73/58/599587358.db2.gz HDJVXGLSFCLABI-GDBMZVCRSA-N 0 3 377.445 0.591 20 0 GCADHN COCCOC[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691852 599587359 /nfs/dbraw/zinc/58/73/59/599587359.db2.gz HDJVXGLSFCLABI-GDBMZVCRSA-N 0 3 377.445 0.591 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1-c1nnn[n-]1 ZINC000822318967 599598370 /nfs/dbraw/zinc/59/83/70/599598370.db2.gz DJHSLMYSSZFHGF-CYBMUJFWSA-N 0 3 387.444 0.077 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1-c1nn[n-]n1 ZINC000822318967 599598372 /nfs/dbraw/zinc/59/83/72/599598372.db2.gz DJHSLMYSSZFHGF-CYBMUJFWSA-N 0 3 387.444 0.077 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000821400581 599609510 /nfs/dbraw/zinc/60/95/10/599609510.db2.gz LVCFLJVCVKGUSS-DGCLKSJQSA-N 0 3 387.444 0.803 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000821400581 599609512 /nfs/dbraw/zinc/60/95/12/599609512.db2.gz LVCFLJVCVKGUSS-DGCLKSJQSA-N 0 3 387.444 0.803 20 0 GCADHN O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823359185 599613871 /nfs/dbraw/zinc/61/38/71/599613871.db2.gz JUFFICZXMOFAND-MRXNPFEDSA-N 0 3 399.455 0.565 20 0 GCADHN CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821180768 599617869 /nfs/dbraw/zinc/61/78/69/599617869.db2.gz HBZOZFPDFXMCEM-LBPRGKRZSA-N 0 3 375.408 0.887 20 0 GCADHN CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821180768 599617871 /nfs/dbraw/zinc/61/78/71/599617871.db2.gz HBZOZFPDFXMCEM-LBPRGKRZSA-N 0 3 375.408 0.887 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820994164 599669007 /nfs/dbraw/zinc/66/90/07/599669007.db2.gz FQJODWAOIRDPHZ-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820994164 599669008 /nfs/dbraw/zinc/66/90/08/599669008.db2.gz FQJODWAOIRDPHZ-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820994164 599669009 /nfs/dbraw/zinc/66/90/09/599669009.db2.gz FQJODWAOIRDPHZ-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820994164 599669010 /nfs/dbraw/zinc/66/90/10/599669010.db2.gz FQJODWAOIRDPHZ-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000823237960 599679259 /nfs/dbraw/zinc/67/92/59/599679259.db2.gz GFNBBVHYIGAOGT-AWEZNQCLSA-N 0 3 377.424 0.652 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1-c1nnn[n-]1 ZINC000820160674 607434352 /nfs/dbraw/zinc/43/43/52/607434352.db2.gz PIMQHKAVAMUASH-UHFFFAOYSA-N 0 3 375.433 0.660 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1-c1nn[n-]n1 ZINC000820160674 607434354 /nfs/dbraw/zinc/43/43/54/607434354.db2.gz PIMQHKAVAMUASH-UHFFFAOYSA-N 0 3 375.433 0.660 20 0 GCADHN Cc1nc(CN2CCC[N@H+](C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)CC2)no1 ZINC000822440298 607442709 /nfs/dbraw/zinc/44/27/09/607442709.db2.gz LNCPZTWVHOQTFP-CYBMUJFWSA-N 0 3 399.463 0.004 20 0 GCADHN Cc1nc(CN2CCC[N@@H+](C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)CC2)no1 ZINC000822440298 607442711 /nfs/dbraw/zinc/44/27/11/607442711.db2.gz LNCPZTWVHOQTFP-CYBMUJFWSA-N 0 3 399.463 0.004 20 0 GCADHN Cc1nc(CN2CCC[N@H+](C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)CC2)no1 ZINC000822440298 607442713 /nfs/dbraw/zinc/44/27/13/607442713.db2.gz LNCPZTWVHOQTFP-CYBMUJFWSA-N 0 3 399.463 0.004 20 0 GCADHN Cc1nc(CN2CCC[N@@H+](C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)CC2)no1 ZINC000822440298 607442715 /nfs/dbraw/zinc/44/27/15/607442715.db2.gz LNCPZTWVHOQTFP-CYBMUJFWSA-N 0 3 399.463 0.004 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824470223 607515100 /nfs/dbraw/zinc/51/51/00/607515100.db2.gz GLYSJEYUAIVDKI-GFCCVEGCSA-N 0 3 397.443 0.441 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824472063 607515274 /nfs/dbraw/zinc/51/52/74/607515274.db2.gz VHWPCRVOHVKPQS-GFCCVEGCSA-N 0 3 397.443 0.441 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000824427751 607538875 /nfs/dbraw/zinc/53/88/75/607538875.db2.gz OCWQXANAEIYHNP-RYUDHWBXSA-N 0 3 391.480 0.855 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000824427751 607538877 /nfs/dbraw/zinc/53/88/77/607538877.db2.gz OCWQXANAEIYHNP-RYUDHWBXSA-N 0 3 391.480 0.855 20 0 GCADHN C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825860301 607618707 /nfs/dbraw/zinc/61/87/07/607618707.db2.gz PGVNAAUXESTPCA-LLVKDONJSA-N 0 3 386.865 0.471 20 0 GCADHN COc1ccc(CNC(=O)NC2CC[NH+](CCO)CC2)cc1-c1nnn[n-]1 ZINC000826199401 607622404 /nfs/dbraw/zinc/62/24/04/607622404.db2.gz XWSPHGPAYUXHFN-UHFFFAOYSA-N 0 3 375.433 0.131 20 0 GCADHN COc1ccc(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1-c1nnn[n-]1 ZINC000826199567 607623821 /nfs/dbraw/zinc/62/38/21/607623821.db2.gz DDBXUZNBRMKRIN-CQSZACIVSA-N 0 3 389.460 0.521 20 0 GCADHN COc1ccc(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1-c1nn[n-]n1 ZINC000826199567 607623823 /nfs/dbraw/zinc/62/38/23/607623823.db2.gz DDBXUZNBRMKRIN-CQSZACIVSA-N 0 3 389.460 0.521 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826490722 607634686 /nfs/dbraw/zinc/63/46/86/607634686.db2.gz FODLEYPXNXHJKY-LBPRGKRZSA-N 0 3 398.464 0.521 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826490722 607634687 /nfs/dbraw/zinc/63/46/87/607634687.db2.gz FODLEYPXNXHJKY-LBPRGKRZSA-N 0 3 398.464 0.521 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826490722 607634688 /nfs/dbraw/zinc/63/46/88/607634688.db2.gz FODLEYPXNXHJKY-LBPRGKRZSA-N 0 3 398.464 0.521 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826490722 607634689 /nfs/dbraw/zinc/63/46/89/607634689.db2.gz FODLEYPXNXHJKY-LBPRGKRZSA-N 0 3 398.464 0.521 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2nnn[n-]2)cc1 ZINC000826490969 607634547 /nfs/dbraw/zinc/63/45/47/607634547.db2.gz OSQPRFADRJLUIW-AWEZNQCLSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nnn[n-]2)cc1 ZINC000826490969 607634549 /nfs/dbraw/zinc/63/45/49/607634549.db2.gz OSQPRFADRJLUIW-AWEZNQCLSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[n-]n2)cc1 ZINC000826490969 607634551 /nfs/dbraw/zinc/63/45/51/607634551.db2.gz OSQPRFADRJLUIW-AWEZNQCLSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nn[n-]n2)cc1 ZINC000826490969 607634553 /nfs/dbraw/zinc/63/45/53/607634553.db2.gz OSQPRFADRJLUIW-AWEZNQCLSA-N 0 3 380.474 0.382 20 0 GCADHN Cn1cc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c(C(F)(F)F)n1 ZINC000826361674 607707756 /nfs/dbraw/zinc/70/77/56/607707756.db2.gz IGIITZCKTUMTDJ-QMMMGPOBSA-N 0 3 382.354 0.647 20 0 GCADHN Cn1cc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c(C(F)(F)F)n1 ZINC000826361674 607707758 /nfs/dbraw/zinc/70/77/58/607707758.db2.gz IGIITZCKTUMTDJ-QMMMGPOBSA-N 0 3 382.354 0.647 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000826504110 607749089 /nfs/dbraw/zinc/74/90/89/607749089.db2.gz NHEFPFZKOKAWJS-HOCLYGCPSA-N 0 3 384.444 0.610 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000826504110 607749090 /nfs/dbraw/zinc/74/90/90/607749090.db2.gz NHEFPFZKOKAWJS-HOCLYGCPSA-N 0 3 384.444 0.610 20 0 GCADHN COc1cc(NCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc(OC)c1 ZINC000826180375 607751867 /nfs/dbraw/zinc/75/18/67/607751867.db2.gz DZFJVZXIGKELIN-LBPRGKRZSA-N 0 3 399.459 0.824 20 0 GCADHN COc1cc(NCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc(OC)c1 ZINC000826180375 607751868 /nfs/dbraw/zinc/75/18/68/607751868.db2.gz DZFJVZXIGKELIN-LBPRGKRZSA-N 0 3 399.459 0.824 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821189746 606144562 /nfs/dbraw/zinc/14/45/62/606144562.db2.gz RXNXEYCAULMAFU-OAHLLOKOSA-N 0 3 394.501 0.988 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821189746 606144564 /nfs/dbraw/zinc/14/45/64/606144564.db2.gz RXNXEYCAULMAFU-OAHLLOKOSA-N 0 3 394.501 0.988 20 0 GCADHN C[NH+](C)[C@]1(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCSC1 ZINC000821581515 606300235 /nfs/dbraw/zinc/30/02/35/606300235.db2.gz NQNZEUAILWIOGB-KRWDZBQOSA-N 0 3 389.485 0.150 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000821700620 606301226 /nfs/dbraw/zinc/30/12/26/606301226.db2.gz TWMYAQIPHNMAST-QGZVFWFLSA-N 0 3 392.485 0.808 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)CC2 ZINC000821509275 606306460 /nfs/dbraw/zinc/30/64/60/606306460.db2.gz FGLOATCETRPYDC-PWSUYJOCSA-N 0 3 399.484 0.792 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)CC2 ZINC000821509275 606306462 /nfs/dbraw/zinc/30/64/62/606306462.db2.gz FGLOATCETRPYDC-PWSUYJOCSA-N 0 3 399.484 0.792 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000823689734 606310276 /nfs/dbraw/zinc/31/02/76/606310276.db2.gz IXZMSFFRKQLLJE-CRAIPNDOSA-N 0 3 389.456 0.876 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000821651635 606323366 /nfs/dbraw/zinc/32/33/66/606323366.db2.gz CSYOIIMBAAIFJD-MSOLQXFVSA-N 0 3 399.499 0.793 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000821651635 606323369 /nfs/dbraw/zinc/32/33/69/606323369.db2.gz CSYOIIMBAAIFJD-MSOLQXFVSA-N 0 3 399.499 0.793 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820759777 606333493 /nfs/dbraw/zinc/33/34/93/606333493.db2.gz NPJBZHCATYCUOH-OCCSQVGLSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820759777 606333495 /nfs/dbraw/zinc/33/34/95/606333495.db2.gz NPJBZHCATYCUOH-OCCSQVGLSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000820759777 606333497 /nfs/dbraw/zinc/33/34/97/606333497.db2.gz NPJBZHCATYCUOH-OCCSQVGLSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000820759777 606333499 /nfs/dbraw/zinc/33/34/99/606333499.db2.gz NPJBZHCATYCUOH-OCCSQVGLSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C[NH+]1CCCC1 ZINC000820262071 606396085 /nfs/dbraw/zinc/39/60/85/606396085.db2.gz RMMVASQNOSFNNR-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C[NH+]1CCCC1 ZINC000820262071 606396086 /nfs/dbraw/zinc/39/60/86/606396086.db2.gz RMMVASQNOSFNNR-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CCCC1 ZINC000821602791 606401170 /nfs/dbraw/zinc/40/11/70/606401170.db2.gz VCYGPQQKIMFINN-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[N@@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CCCC1 ZINC000821602791 606401172 /nfs/dbraw/zinc/40/11/72/606401172.db2.gz VCYGPQQKIMFINN-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CCCC1 ZINC000821602791 606401174 /nfs/dbraw/zinc/40/11/74/606401174.db2.gz VCYGPQQKIMFINN-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[N@@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CCCC1 ZINC000821602791 606401176 /nfs/dbraw/zinc/40/11/76/606401176.db2.gz VCYGPQQKIMFINN-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821686795 606403111 /nfs/dbraw/zinc/40/31/11/606403111.db2.gz AASPEFHKSYBDCQ-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821686795 606403112 /nfs/dbraw/zinc/40/31/12/606403112.db2.gz AASPEFHKSYBDCQ-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821160962 606404311 /nfs/dbraw/zinc/40/43/11/606404311.db2.gz SDCPDUHYRMOQIC-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821160962 606404313 /nfs/dbraw/zinc/40/43/13/606404313.db2.gz SDCPDUHYRMOQIC-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821160962 606404314 /nfs/dbraw/zinc/40/43/14/606404314.db2.gz SDCPDUHYRMOQIC-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821160962 606404316 /nfs/dbraw/zinc/40/43/16/606404316.db2.gz SDCPDUHYRMOQIC-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821581742 606405627 /nfs/dbraw/zinc/40/56/27/606405627.db2.gz UNDXSIORUQIGQT-NEPJUHHUSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821581742 606405628 /nfs/dbraw/zinc/40/56/28/606405628.db2.gz UNDXSIORUQIGQT-NEPJUHHUSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cn1 ZINC000821587451 606517811 /nfs/dbraw/zinc/51/78/11/606517811.db2.gz YBKQCPRYXXWOEH-UHFFFAOYSA-N 0 3 389.445 0.055 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cn1 ZINC000821587451 606517812 /nfs/dbraw/zinc/51/78/12/606517812.db2.gz YBKQCPRYXXWOEH-UHFFFAOYSA-N 0 3 389.445 0.055 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000821649699 606623679 /nfs/dbraw/zinc/62/36/79/606623679.db2.gz BFYBLUSLXKQLOV-RHSMWYFYSA-N 0 3 386.456 0.735 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[N@@H+]1C1CC1 ZINC000820658547 606624916 /nfs/dbraw/zinc/62/49/16/606624916.db2.gz TWODGSBZFIAKKU-AAEUAGOBSA-N 0 3 393.455 0.990 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[N@H+]1C1CC1 ZINC000820658547 606624918 /nfs/dbraw/zinc/62/49/18/606624918.db2.gz TWODGSBZFIAKKU-AAEUAGOBSA-N 0 3 393.455 0.990 20 0 GCADHN CC[N@H+]1C[C@H](NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[C@@H](C)C1 ZINC000821240942 606668514 /nfs/dbraw/zinc/66/85/14/606668514.db2.gz KCSLLNHQWIBFQS-BBRMVZONSA-N 0 3 399.503 0.870 20 0 GCADHN CC[N@@H+]1C[C@H](NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[C@@H](C)C1 ZINC000821240942 606668515 /nfs/dbraw/zinc/66/85/15/606668515.db2.gz KCSLLNHQWIBFQS-BBRMVZONSA-N 0 3 399.503 0.870 20 0 GCADHN CC[N@H+]1C[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)[C@@H](C)C1 ZINC000821242984 606678948 /nfs/dbraw/zinc/67/89/48/606678948.db2.gz YBZLICGMZHZVOM-ZFWWWQNUSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)[C@@H](C)C1 ZINC000821242984 606678949 /nfs/dbraw/zinc/67/89/49/606678949.db2.gz YBZLICGMZHZVOM-ZFWWWQNUSA-N 0 3 385.476 0.434 20 0 GCADHN CC(C)(C)OC(=O)N1CC([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000819933417 606723964 /nfs/dbraw/zinc/72/39/64/606723964.db2.gz QWGYGVXRIXLUIQ-SNVBAGLBSA-N 0 3 375.437 0.314 20 0 GCADHN CC(C)(C)OC(=O)N1CC([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000819933417 606723966 /nfs/dbraw/zinc/72/39/66/606723966.db2.gz QWGYGVXRIXLUIQ-SNVBAGLBSA-N 0 3 375.437 0.314 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820529748 606749933 /nfs/dbraw/zinc/74/99/33/606749933.db2.gz RKRUEDQQZQYJKX-AWEZNQCLSA-N 0 3 388.472 0.986 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H]1CN(CC)C[C@@H]1C ZINC000821401262 606750722 /nfs/dbraw/zinc/75/07/22/606750722.db2.gz UDMLEUULMHFBLV-SMDDNHRTSA-N 0 3 387.444 0.660 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H]1CN(CC)C[C@H]1C ZINC000821401259 606750893 /nfs/dbraw/zinc/75/08/93/606750893.db2.gz UDMLEUULMHFBLV-BXUZGUMPSA-N 0 3 387.444 0.660 20 0 GCADHN O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000822918052 606798876 /nfs/dbraw/zinc/79/88/76/606798876.db2.gz YKPIJWFNHOZCQW-TZMCWYRMSA-N 0 3 385.476 0.486 20 0 GCADHN O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000822918052 606798877 /nfs/dbraw/zinc/79/88/77/606798877.db2.gz YKPIJWFNHOZCQW-TZMCWYRMSA-N 0 3 385.476 0.486 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000820752915 606810452 /nfs/dbraw/zinc/81/04/52/606810452.db2.gz UCYJZMPFXYFCPZ-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000820752915 606810453 /nfs/dbraw/zinc/81/04/53/606810453.db2.gz UCYJZMPFXYFCPZ-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000820752915 606810454 /nfs/dbraw/zinc/81/04/54/606810454.db2.gz UCYJZMPFXYFCPZ-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000820752915 606810455 /nfs/dbraw/zinc/81/04/55/606810455.db2.gz UCYJZMPFXYFCPZ-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)[C@@H](C)C1 ZINC000820752917 606810582 /nfs/dbraw/zinc/81/05/82/606810582.db2.gz UCYJZMPFXYFCPZ-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)[C@@H](C)C1 ZINC000820752917 606810583 /nfs/dbraw/zinc/81/05/83/606810583.db2.gz UCYJZMPFXYFCPZ-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)[C@@H](C)C1 ZINC000820752917 606810586 /nfs/dbraw/zinc/81/05/86/606810586.db2.gz UCYJZMPFXYFCPZ-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)[C@@H](C)C1 ZINC000820752917 606810587 /nfs/dbraw/zinc/81/05/87/606810587.db2.gz UCYJZMPFXYFCPZ-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820750311 606838423 /nfs/dbraw/zinc/83/84/23/606838423.db2.gz ARGPZXUFIWNLEB-YGRLFVJLSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820750311 606838424 /nfs/dbraw/zinc/83/84/24/606838424.db2.gz ARGPZXUFIWNLEB-YGRLFVJLSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820750311 606838428 /nfs/dbraw/zinc/83/84/28/606838428.db2.gz ARGPZXUFIWNLEB-YGRLFVJLSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820750311 606838429 /nfs/dbraw/zinc/83/84/29/606838429.db2.gz ARGPZXUFIWNLEB-YGRLFVJLSA-N 0 3 375.408 0.789 20 0 GCADHN C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000820420697 606843864 /nfs/dbraw/zinc/84/38/64/606843864.db2.gz VSDKSPFVOWYPLZ-MEDUHNTESA-N 0 3 388.453 0.898 20 0 GCADHN CNc1cc(N2CCC[C@H]2C[NH2+]C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC000821637713 606859484 /nfs/dbraw/zinc/85/94/84/606859484.db2.gz QMGYWBMWSCBQTD-JKSUJKDBSA-N 0 3 395.471 0.990 20 0 GCADHN COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696781 606863139 /nfs/dbraw/zinc/86/31/39/606863139.db2.gz PRVGQRCSGJMYGC-NWDGAFQWSA-N 0 3 397.443 0.536 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000821755331 606884521 /nfs/dbraw/zinc/88/45/21/606884521.db2.gz DXZOEOJVKREYCY-QMTHXVAHSA-N 0 3 385.428 0.413 20 0 GCADHN COCCCNC(=O)C1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821687822 606887548 /nfs/dbraw/zinc/88/75/48/606887548.db2.gz QHEMTQBKJWEPOY-KRWDZBQOSA-N 0 3 388.472 0.765 20 0 GCADHN NC(=O)c1cc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000822880319 606906595 /nfs/dbraw/zinc/90/65/95/606906595.db2.gz MPKCBKLHENHEGZ-CJNGLKHVSA-N 0 3 382.428 0.602 20 0 GCADHN NC(=O)c1cc([C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000822880319 606906596 /nfs/dbraw/zinc/90/65/96/606906596.db2.gz MPKCBKLHENHEGZ-CJNGLKHVSA-N 0 3 382.428 0.602 20 0 GCADHN C[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821600629 606910793 /nfs/dbraw/zinc/91/07/93/606910793.db2.gz VYFUARWNWARKBL-UHFFFAOYSA-N 0 3 394.501 0.991 20 0 GCADHN C[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821600629 606910794 /nfs/dbraw/zinc/91/07/94/606910794.db2.gz VYFUARWNWARKBL-UHFFFAOYSA-N 0 3 394.501 0.991 20 0 GCADHN C[N@H+](CCCOc1cccc(-c2nn[n-]n2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821600629 606910796 /nfs/dbraw/zinc/91/07/96/606910796.db2.gz VYFUARWNWARKBL-UHFFFAOYSA-N 0 3 394.501 0.991 20 0 GCADHN C[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821600629 606910799 /nfs/dbraw/zinc/91/07/99/606910799.db2.gz VYFUARWNWARKBL-UHFFFAOYSA-N 0 3 394.501 0.991 20 0 GCADHN C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820751300 606913842 /nfs/dbraw/zinc/91/38/42/606913842.db2.gz FQQMPYIALQBRRE-BZNIZROVSA-N 0 3 393.455 0.847 20 0 GCADHN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820751300 606913844 /nfs/dbraw/zinc/91/38/44/606913844.db2.gz FQQMPYIALQBRRE-BZNIZROVSA-N 0 3 393.455 0.847 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821937213 606919619 /nfs/dbraw/zinc/91/96/19/606919619.db2.gz KGLRRKYQCQRPMR-SWLSCSKDSA-N 0 3 380.474 0.161 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821937216 606919897 /nfs/dbraw/zinc/91/98/97/606919897.db2.gz KGLRRKYQCQRPMR-WFASDCNBSA-N 0 3 380.474 0.161 20 0 GCADHN FC(F)(F)Cn1cc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cn1 ZINC000822718239 606923453 /nfs/dbraw/zinc/92/34/53/606923453.db2.gz DMXWDJBCMDSNMM-VIFPVBQESA-N 0 3 382.354 0.654 20 0 GCADHN FC(F)(F)Cn1cc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cn1 ZINC000822718239 606923455 /nfs/dbraw/zinc/92/34/55/606923455.db2.gz DMXWDJBCMDSNMM-VIFPVBQESA-N 0 3 382.354 0.654 20 0 GCADHN NS(=O)(=O)c1ccc(N2CC[NH+](C3CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895162 607036958 /nfs/dbraw/zinc/03/69/58/607036958.db2.gz MJEFRXJMQHMRHI-UHFFFAOYSA-N 0 3 391.501 0.969 20 0 GCADHN NS(=O)(=O)c1ccc(N2CC[NH+](C3CCCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895162 607036960 /nfs/dbraw/zinc/03/69/60/607036960.db2.gz MJEFRXJMQHMRHI-UHFFFAOYSA-N 0 3 391.501 0.969 20 0 GCADHN CN1CCN(C[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)CCO2)CC1 ZINC000821627406 607064109 /nfs/dbraw/zinc/06/41/09/607064109.db2.gz ZVTUTYPUKWBRBA-INIZCTEOSA-N 0 3 375.452 0.454 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821623288 607083550 /nfs/dbraw/zinc/08/35/50/607083550.db2.gz IGFJYDSVOWRSPO-MRXNPFEDSA-N 0 3 399.455 0.011 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000821755414 607094811 /nfs/dbraw/zinc/09/48/11/607094811.db2.gz GAMXFFUDEQPETF-UKRRQHHQSA-N 0 3 399.455 0.757 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000821755414 607094813 /nfs/dbraw/zinc/09/48/13/607094813.db2.gz GAMXFFUDEQPETF-UKRRQHHQSA-N 0 3 399.455 0.757 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC000821625974 607101491 /nfs/dbraw/zinc/10/14/91/607101491.db2.gz ZNPMSLOYXKBHMC-CABCVRRESA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC000821625974 607101493 /nfs/dbraw/zinc/10/14/93/607101493.db2.gz ZNPMSLOYXKBHMC-CABCVRRESA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC000821625974 607101495 /nfs/dbraw/zinc/10/14/95/607101495.db2.gz ZNPMSLOYXKBHMC-CABCVRRESA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC000821625974 607101497 /nfs/dbraw/zinc/10/14/97/607101497.db2.gz ZNPMSLOYXKBHMC-CABCVRRESA-N 0 3 385.476 0.799 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820314407 607179827 /nfs/dbraw/zinc/17/98/27/607179827.db2.gz ILLBJJJJAOTQMI-GFCCVEGCSA-N 0 3 397.443 0.441 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821689022 607180040 /nfs/dbraw/zinc/18/00/40/607180040.db2.gz IDGDXFRNIHPXFX-UHFFFAOYSA-N 0 3 395.851 0.543 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821689022 607180041 /nfs/dbraw/zinc/18/00/41/607180041.db2.gz IDGDXFRNIHPXFX-UHFFFAOYSA-N 0 3 395.851 0.543 20 0 GCADHN Cc1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1-c1nnn[n-]1 ZINC000822323471 607184091 /nfs/dbraw/zinc/18/40/91/607184091.db2.gz HMBBJQAPZKWROS-UHFFFAOYSA-N 0 3 383.416 0.510 20 0 GCADHN Cc1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1-c1nn[n-]n1 ZINC000822323471 607184092 /nfs/dbraw/zinc/18/40/92/607184092.db2.gz HMBBJQAPZKWROS-UHFFFAOYSA-N 0 3 383.416 0.510 20 0 GCADHN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000825865755 607795864 /nfs/dbraw/zinc/79/58/64/607795864.db2.gz JSKWOARRWSBAAE-INIZCTEOSA-N 0 3 396.455 0.214 20 0 GCADHN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000825865755 607795865 /nfs/dbraw/zinc/79/58/65/607795865.db2.gz JSKWOARRWSBAAE-INIZCTEOSA-N 0 3 396.455 0.214 20 0 GCADHN C[NH+]1CCC([C@@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC000826021919 607914154 /nfs/dbraw/zinc/91/41/54/607914154.db2.gz DZBJREQOOQAPBC-QGZVFWFLSA-N 0 3 397.483 0.787 20 0 GCADHN C[NH+]1CCC([C@@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC000826021919 607914155 /nfs/dbraw/zinc/91/41/55/607914155.db2.gz DZBJREQOOQAPBC-QGZVFWFLSA-N 0 3 397.483 0.787 20 0 GCADHN C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC000826022264 607928730 /nfs/dbraw/zinc/92/87/30/607928730.db2.gz HUGVVWNLJAZIOY-OAHLLOKOSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000825923638 607999278 /nfs/dbraw/zinc/99/92/78/607999278.db2.gz PQDIXDRGAGEBEM-UHFFFAOYSA-N 0 3 379.852 0.834 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000825923638 607999279 /nfs/dbraw/zinc/99/92/79/607999279.db2.gz PQDIXDRGAGEBEM-UHFFFAOYSA-N 0 3 379.852 0.834 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000825923638 607999280 /nfs/dbraw/zinc/99/92/80/607999280.db2.gz PQDIXDRGAGEBEM-UHFFFAOYSA-N 0 3 379.852 0.834 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000825923638 607999281 /nfs/dbraw/zinc/99/92/81/607999281.db2.gz PQDIXDRGAGEBEM-UHFFFAOYSA-N 0 3 379.852 0.834 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000826175097 608014843 /nfs/dbraw/zinc/01/48/43/608014843.db2.gz SRJRTBYWXWTTMR-UHFFFAOYSA-N 0 3 390.444 0.169 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000826175097 608014844 /nfs/dbraw/zinc/01/48/44/608014844.db2.gz SRJRTBYWXWTTMR-UHFFFAOYSA-N 0 3 390.444 0.169 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000826175097 608014845 /nfs/dbraw/zinc/01/48/45/608014845.db2.gz SRJRTBYWXWTTMR-UHFFFAOYSA-N 0 3 390.444 0.169 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000826175097 608014846 /nfs/dbraw/zinc/01/48/46/608014846.db2.gz SRJRTBYWXWTTMR-UHFFFAOYSA-N 0 3 390.444 0.169 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(-n3ccnc3)c2)c1-c1nnn[n-]1 ZINC000826084074 608021693 /nfs/dbraw/zinc/02/16/93/608021693.db2.gz UTCUUUZLOCHJRJ-UHFFFAOYSA-N 0 3 393.415 0.575 20 0 GCADHN CN1C(=O)NC2(CC[NH+](CCC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)C1=O ZINC000826018123 608043497 /nfs/dbraw/zinc/04/34/97/608043497.db2.gz RBDHHRXCDHYVGR-UHFFFAOYSA-N 0 3 398.427 0.212 20 0 GCADHN CN1C(=O)NC2(CC[NH+](CCC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1=O ZINC000826018123 608043498 /nfs/dbraw/zinc/04/34/98/608043498.db2.gz RBDHHRXCDHYVGR-UHFFFAOYSA-N 0 3 398.427 0.212 20 0 GCADHN CS[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000826226780 608088498 /nfs/dbraw/zinc/08/84/98/608088498.db2.gz GIPMKRQEUFMDTR-NEPJUHHUSA-N 0 3 379.490 0.992 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826436259 608107195 /nfs/dbraw/zinc/10/71/95/608107195.db2.gz NYCNTWWLZVBQKZ-LBPRGKRZSA-N 0 3 379.852 0.882 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826436259 608107196 /nfs/dbraw/zinc/10/71/96/608107196.db2.gz NYCNTWWLZVBQKZ-LBPRGKRZSA-N 0 3 379.852 0.882 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826436259 608107197 /nfs/dbraw/zinc/10/71/97/608107197.db2.gz NYCNTWWLZVBQKZ-LBPRGKRZSA-N 0 3 379.852 0.882 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826436259 608107198 /nfs/dbraw/zinc/10/71/98/608107198.db2.gz NYCNTWWLZVBQKZ-LBPRGKRZSA-N 0 3 379.852 0.882 20 0 GCADHN O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826479268 608170438 /nfs/dbraw/zinc/17/04/38/608170438.db2.gz VAYXRZNSZXTDMZ-HOTGVXAUSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826479268 608170440 /nfs/dbraw/zinc/17/04/40/608170440.db2.gz VAYXRZNSZXTDMZ-HOTGVXAUSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824985173 608171015 /nfs/dbraw/zinc/17/10/15/608171015.db2.gz SMWSIADDIAXVFT-MAUKXSAKSA-N 0 3 398.515 0.763 20 0 GCADHN O=C(CNc1ccc(-c2nnn[n-]2)cn1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000826413645 608225170 /nfs/dbraw/zinc/22/51/70/608225170.db2.gz MMSCGTGUELOEOF-ZDUSSCGKSA-N 0 3 386.460 0.291 20 0 GCADHN O=C(CNc1ccc(-c2nn[n-]n2)cn1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000826413645 608225171 /nfs/dbraw/zinc/22/51/71/608225171.db2.gz MMSCGTGUELOEOF-ZDUSSCGKSA-N 0 3 386.460 0.291 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825444414 608356898 /nfs/dbraw/zinc/35/68/98/608356898.db2.gz MTLVJNBKWGXWOT-PWSUYJOCSA-N 0 3 389.464 0.213 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825444414 608356900 /nfs/dbraw/zinc/35/69/00/608356900.db2.gz MTLVJNBKWGXWOT-PWSUYJOCSA-N 0 3 389.464 0.213 20 0 GCADHN CN(CCN(C)S(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CC[NH+](C)CC1 ZINC000826022008 608418369 /nfs/dbraw/zinc/41/83/69/608418369.db2.gz HDSXHANDRSVMAN-UHFFFAOYSA-N 0 3 393.517 0.513 20 0 GCADHN O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000826458655 609314494 /nfs/dbraw/zinc/31/44/94/609314494.db2.gz ZPVOACJNWXCLLS-CQSZACIVSA-N 0 3 397.418 0.520 20 0 GCADHN O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000826458655 609314495 /nfs/dbraw/zinc/31/44/95/609314495.db2.gz ZPVOACJNWXCLLS-CQSZACIVSA-N 0 3 397.418 0.520 20 0 GCADHN Cn1cc(CNC[C@H]2CCCS2(=O)=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361337 609343453 /nfs/dbraw/zinc/34/34/53/609343453.db2.gz UAYDSBKXVSOJDQ-OAHLLOKOSA-N 0 3 387.469 0.934 20 0 GCADHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000826329281 609414691 /nfs/dbraw/zinc/41/46/91/609414691.db2.gz XCDGGAGWRNHNMD-GDBMZVCRSA-N 0 3 393.455 0.867 20 0 GCADHN Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000826329284 609414796 /nfs/dbraw/zinc/41/47/96/609414796.db2.gz XCDGGAGWRNHNMD-ZBFHGGJFSA-N 0 3 393.455 0.867 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@H]2CO)c1Br ZINC000866844695 638431111 /nfs/dbraw/zinc/43/11/11/638431111.db2.gz UQWCFMQWZGZIQG-NSHDSACASA-N 0 3 395.323 0.698 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@H]2CO)c1Br ZINC000866844695 638431116 /nfs/dbraw/zinc/43/11/16/638431116.db2.gz UQWCFMQWZGZIQG-NSHDSACASA-N 0 3 395.323 0.698 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000932962150 638478225 /nfs/dbraw/zinc/47/82/25/638478225.db2.gz IITNDHQLQUTWLE-DGCLKSJQSA-N 0 3 393.303 0.799 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891707985 638509477 /nfs/dbraw/zinc/50/94/77/638509477.db2.gz NKEPOCNKCJJYOW-AOOOYVTPSA-N 0 3 378.907 0.826 20 0 GCADHN CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926283335 638516814 /nfs/dbraw/zinc/51/68/14/638516814.db2.gz JUJLRNRXNOPXJY-UHFFFAOYSA-N 0 3 383.290 0.429 20 0 GCADHN CN(C)CCN1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1=O ZINC000892365612 638563708 /nfs/dbraw/zinc/56/37/08/638563708.db2.gz ZDBPHQCTDYIHQF-UHFFFAOYSA-N 0 3 384.278 0.438 20 0 GCADHN CN1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)[C@H](CN)C1 ZINC000162278509 638588876 /nfs/dbraw/zinc/58/88/76/638588876.db2.gz KKMMOOXCIFAKIP-LLVKDONJSA-N 0 3 390.303 0.568 20 0 GCADHN CN1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)[C@@H](CN)C1 ZINC000162278627 638589063 /nfs/dbraw/zinc/58/90/63/638589063.db2.gz KKMMOOXCIFAKIP-NSHDSACASA-N 0 3 390.303 0.568 20 0 GCADHN C[C@@H](CNC(=O)NCc1ncc(Br)cn1)CN1CCN(C)CC1 ZINC000893238585 638616142 /nfs/dbraw/zinc/61/61/42/638616142.db2.gz UVNOQFRCOAZRCP-LBPRGKRZSA-N 0 3 385.310 0.922 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)s1 ZINC000894356817 638695644 /nfs/dbraw/zinc/69/56/44/638695644.db2.gz NDMMFLNVWYSRQT-ZIAGYGMSSA-N 0 3 387.527 0.892 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CCN1C ZINC000928430767 638708074 /nfs/dbraw/zinc/70/80/74/638708074.db2.gz JHXRGOBTOUUFON-LDYMZIIASA-N 0 3 376.276 0.919 20 0 GCADHN Cn1ncc(I)c1CNC[C@@H]1CCCN1CCCO ZINC000894873783 638715248 /nfs/dbraw/zinc/71/52/48/638715248.db2.gz OGXRXGQODRJUKY-NSHDSACASA-N 0 3 378.258 0.961 20 0 GCADHN COC(=O)[C@@H]1CSCCN1C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000895103146 638727807 /nfs/dbraw/zinc/72/78/07/638727807.db2.gz NRQWPIXKZCHCHN-RYUDHWBXSA-N 0 3 375.491 0.558 20 0 GCADHN Cn1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(Br)n1 ZINC000896009275 639036537 /nfs/dbraw/zinc/03/65/37/639036537.db2.gz JPIFEAACXXATCN-LBPRGKRZSA-N 0 3 384.278 0.737 20 0 GCADHN O=C(NCc1cnc(Br)cn1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000896092086 639038784 /nfs/dbraw/zinc/03/87/84/639038784.db2.gz GJIDYTIVAUHZOI-STQMWFEESA-N 0 3 384.278 0.980 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)c1c[nH]nc1I ZINC000896138038 639039765 /nfs/dbraw/zinc/03/97/65/639039765.db2.gz LPPBKHYVDWIYTC-SECBINFHSA-N 0 3 378.214 0.855 20 0 GCADHN CS[C@H]1CN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)C[C@H]1N(C)C ZINC000897237333 639090321 /nfs/dbraw/zinc/09/03/21/639090321.db2.gz HKARFZQKPKFJBC-KGLIPLIRSA-N 0 3 390.506 0.389 20 0 GCADHN CN(C)CCN1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1=O ZINC000867457441 639109129 /nfs/dbraw/zinc/10/91/29/639109129.db2.gz DXPALIZLDRLSQM-UHFFFAOYSA-N 0 3 381.285 0.783 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)NCCS(=O)(=O)N2CCSCC2)C1(C)C ZINC000262780138 639137961 /nfs/dbraw/zinc/13/79/61/639137961.db2.gz KRXTVAJSJAEDPD-WFASDCNBSA-N 0 3 379.548 0.014 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000897959569 639217898 /nfs/dbraw/zinc/21/78/98/639217898.db2.gz IUMATUZUTYBUFA-HNNXBMFYSA-N 0 3 376.523 0.164 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCS(=O)(=O)N1CCCC1 ZINC000897959570 639217908 /nfs/dbraw/zinc/21/79/08/639217908.db2.gz IUMATUZUTYBUFA-OAHLLOKOSA-N 0 3 376.523 0.164 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ncc(Br)cn1 ZINC000898378864 639226221 /nfs/dbraw/zinc/22/62/21/639226221.db2.gz AXOOFLZZYUIAAE-SNVBAGLBSA-N 0 3 385.266 0.501 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000925327809 639228179 /nfs/dbraw/zinc/22/81/79/639228179.db2.gz RVGVHSOVUNWBRH-HUUCEWRRSA-N 0 3 376.523 0.161 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N(C)Cc2ncc(Br)cn2)CC1=O ZINC000926981423 639235052 /nfs/dbraw/zinc/23/50/52/639235052.db2.gz VKPFPLUKWJUGTA-NSHDSACASA-N 0 3 384.278 0.608 20 0 GCADHN CN(CCO)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000899731760 639271724 /nfs/dbraw/zinc/27/17/24/639271724.db2.gz JNSOIXDYZPQJFC-CYBMUJFWSA-N 0 3 375.516 0.332 20 0 GCADHN CN(CCO)CCNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000899732089 639272451 /nfs/dbraw/zinc/27/24/51/639272451.db2.gz UQLVAVUGRGBSHK-UHFFFAOYSA-N 0 3 390.253 0.748 20 0 GCADHN CN(CCO)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000899726276 639272678 /nfs/dbraw/zinc/27/26/78/639272678.db2.gz JBRWWNNYRUDZJD-UHFFFAOYSA-N 0 3 389.905 0.778 20 0 GCADHN CN(CCO)CCNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000899731850 639272830 /nfs/dbraw/zinc/27/28/30/639272830.db2.gz MWLOZVFFZKZQPZ-UHFFFAOYSA-N 0 3 382.511 0.969 20 0 GCADHN C[C@H](C(=O)NCCN(C)CCO)N1C(=O)c2ccc(Br)cc2C1=O ZINC000899737746 639273489 /nfs/dbraw/zinc/27/34/89/639273489.db2.gz PIUFDVJMQCQZHG-SNVBAGLBSA-N 0 3 398.257 0.474 20 0 GCADHN CN(CCO)CCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000899734695 639273753 /nfs/dbraw/zinc/27/37/53/639273753.db2.gz QGGKSYNMABUQOK-UHFFFAOYSA-N 0 3 375.878 0.388 20 0 GCADHN Cc1[nH]nc(I)c1C(=O)NCCCN1CCN(C)CC1 ZINC000899991378 639279922 /nfs/dbraw/zinc/27/99/22/639279922.db2.gz KNDRMDQAOCFHNG-UHFFFAOYSA-N 0 3 391.257 0.690 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906679446 639328632 /nfs/dbraw/zinc/32/86/32/639328632.db2.gz LUROBCKZBNSXAZ-SNVBAGLBSA-N 0 3 383.861 0.689 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc(Br)cc1-n1cnnn1 ZINC000908208875 639445156 /nfs/dbraw/zinc/44/51/56/639445156.db2.gz VWPZXBKHWKHFCO-GFCCVEGCSA-N 0 3 395.261 0.611 20 0 GCADHN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000908204772 639445203 /nfs/dbraw/zinc/44/52/03/639445203.db2.gz WZEBLGWRVXKOJL-RYUDHWBXSA-N 0 3 387.267 0.786 20 0 GCADHN Cc1c(Br)cccc1CCNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000911310264 639512024 /nfs/dbraw/zinc/51/20/24/639512024.db2.gz LADGPMZMGZGMEG-ZDUSSCGKSA-N 0 3 384.274 0.521 20 0 GCADHN CN1CCNC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000912014066 639527477 /nfs/dbraw/zinc/52/74/77/639527477.db2.gz FNFRWEACOVWREJ-AWEZNQCLSA-N 0 3 386.905 0.967 20 0 GCADHN CN1CCC(NC(=S)NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063875413 639639191 /nfs/dbraw/zinc/63/91/91/639639191.db2.gz HBXOIHKGQKOJMA-UHFFFAOYSA-N 0 3 387.487 0.488 20 0 GCADHN C[NH+](C)CC1(O)CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000913680712 639649403 /nfs/dbraw/zinc/64/94/03/639649403.db2.gz ACJRBAYFIFOHDM-UHFFFAOYSA-N 0 3 395.934 0.595 20 0 GCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000915881339 639815385 /nfs/dbraw/zinc/81/53/85/639815385.db2.gz SRWKXDHKSRQPJH-KBPBESRZSA-N 0 3 376.523 0.808 20 0 GCADHN O=C(CCNS(=O)(=O)N1CCNCC1)Nc1ccc(Br)cc1 ZINC000923598099 639820122 /nfs/dbraw/zinc/82/01/22/639820122.db2.gz RTADIAMZCKDMAX-UHFFFAOYSA-N 0 3 391.291 0.517 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000918698975 639881267 /nfs/dbraw/zinc/88/12/67/639881267.db2.gz LCHXLVIOAPRFGW-GJZGRUSLSA-N 0 3 377.576 0.297 20 0 GCADHN C[NH+](C)C1(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000922348845 640110775 /nfs/dbraw/zinc/11/07/75/640110775.db2.gz OYCQGXDIWKYYOK-UHFFFAOYSA-N 0 3 376.429 0.637 20 0 GCADHN O=S(=O)(N=S1(=O)CCCC1)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000866982693 640173355 /nfs/dbraw/zinc/17/33/55/640173355.db2.gz SJMVIQOPGRMRHN-GJZGRUSLSA-N 0 3 379.548 0.851 20 0 GCADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000838519390 640182866 /nfs/dbraw/zinc/18/28/66/640182866.db2.gz BGGANSOYZOFIOU-KGLIPLIRSA-N 0 3 376.523 0.274 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000839228668 640206624 /nfs/dbraw/zinc/20/66/24/640206624.db2.gz VBIGDMMGUSFWLN-CQSZACIVSA-N 0 3 386.290 0.961 20 0 GCADHN CC1CCC(N2CCN(C(=O)NCCOCCS(C)(=O)=O)CC2)CC1 ZINC000743636505 640257183 /nfs/dbraw/zinc/25/71/83/640257183.db2.gz HZXNPGMTRAOKJW-UHFFFAOYSA-N 0 3 375.535 0.954 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=S)NC2CCN(C)CC2)CC1 ZINC000747666187 640314433 /nfs/dbraw/zinc/31/44/33/640314433.db2.gz QBPANOZEGVOGFT-UHFFFAOYSA-N 0 3 392.591 0.328 20 0 GCADHN C[C@H](NCCOCCS(C)(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000749130519 640337352 /nfs/dbraw/zinc/33/73/52/640337352.db2.gz BXQUEVAXDGVFFS-ZDUSSCGKSA-N 0 3 378.516 0.649 20 0 GCADHN Cc1nc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000804987278 640363657 /nfs/dbraw/zinc/36/36/57/640363657.db2.gz ZAZJBWSTWWIUAR-UHFFFAOYSA-N 0 3 386.905 0.972 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000754941950 640462503 /nfs/dbraw/zinc/46/25/03/640462503.db2.gz FSPCAUQDJBIVRR-SNVBAGLBSA-N 0 3 385.262 0.687 20 0 GCADHN Cc1[nH]nc(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)c1Br ZINC000758271308 640524984 /nfs/dbraw/zinc/52/49/84/640524984.db2.gz NDNXBPQBTASCAW-JTQLQIEISA-N 0 3 393.307 0.672 20 0 GCADHN CS[C@@H]1CN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)C[C@@H]1N(C)C ZINC000759987136 640560070 /nfs/dbraw/zinc/56/00/70/640560070.db2.gz SWZYDJPASJAFHG-NWDGAFQWSA-N 0 3 375.520 0.437 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000769406092 640773062 /nfs/dbraw/zinc/77/30/62/640773062.db2.gz MXXRMZFIRZGJMZ-UHFFFAOYSA-N 0 3 377.898 0.248 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccnc1Br ZINC000770805641 640815411 /nfs/dbraw/zinc/81/54/11/640815411.db2.gz ZRPLMMHPUCMZLN-LBPRGKRZSA-N 0 3 398.305 0.925 20 0 GCADHN CS[C@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C[C@@H]1N(C)C ZINC000772845626 640850309 /nfs/dbraw/zinc/85/03/09/640850309.db2.gz LSQWNXVTOPIVLT-STQMWFEESA-N 0 3 383.495 0.335 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cnc(Br)cc2C)CC1 ZINC000774105376 640877928 /nfs/dbraw/zinc/87/79/28/640877928.db2.gz YYCDJCHVKZJETA-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775191180 641072195 /nfs/dbraw/zinc/07/21/95/641072195.db2.gz FJXJRMQNQDSXLJ-VXGBXAGGSA-N 0 3 393.315 0.355 20 0 GCADHN CNS(=O)(=O)c1ccc([C@@H](C)NCCCS(=O)(=O)CCOC)cc1 ZINC000775237884 641074221 /nfs/dbraw/zinc/07/42/21/641074221.db2.gz DBIBFMMNXWQFMY-CYBMUJFWSA-N 0 3 378.516 0.697 20 0 GCADHN O=C(c1nccn2c(Br)cnc12)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861714889 641163470 /nfs/dbraw/zinc/16/34/70/641163470.db2.gz LYVOSMWHCSZJLZ-MNOVXSKESA-N 0 3 380.246 0.773 20 0 GCADHN C[C@H](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000861910367 641173834 /nfs/dbraw/zinc/17/38/34/641173834.db2.gz JTFLVRPFRRBVML-FJJYHAOUSA-N 0 3 386.905 0.810 20 0 GCADHN CN1CCC(NC(=S)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000779722799 641194528 /nfs/dbraw/zinc/19/45/28/641194528.db2.gz QHVTYEJYECOYHE-HNNXBMFYSA-N 0 3 390.575 0.082 20 0 GCADHN CS(=O)(=O)NC1CN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000863219360 641225293 /nfs/dbraw/zinc/22/52/93/641225293.db2.gz DQLDPDVBZZROMK-UHFFFAOYSA-N 0 3 382.555 0.759 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000865792995 641287242 /nfs/dbraw/zinc/28/72/42/641287242.db2.gz ZVTDATOAMLDLOK-CYBMUJFWSA-N 0 3 385.306 0.753 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000784785320 641294180 /nfs/dbraw/zinc/29/41/80/641294180.db2.gz DGYJZUAUPNRUJK-UHFFFAOYSA-N 0 3 398.305 0.879 20 0 GCADHN CCN(CC)CCNS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000866373158 641295435 /nfs/dbraw/zinc/29/54/35/641295435.db2.gz VTIZTPBVYBXIEP-AWEZNQCLSA-N 0 3 379.523 0.884 20 0 GCADHN NS(=O)(=O)c1cc(Br)cnc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000785794277 641316992 /nfs/dbraw/zinc/31/69/92/641316992.db2.gz LTGBBTULHDBBGG-WDEREUQCSA-N 0 3 391.291 0.767 20 0 GCADHN NS(=O)(=O)c1cc(Br)cnc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000785794274 641317054 /nfs/dbraw/zinc/31/70/54/641317054.db2.gz LTGBBTULHDBBGG-GHMZBOCLSA-N 0 3 391.291 0.767 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C[C@H]2CCCC[NH2+]2)c1I ZINC000866738853 641320927 /nfs/dbraw/zinc/32/09/27/641320927.db2.gz RWROEWQJACXFSS-MRVPVSSYSA-N 0 3 384.243 0.445 20 0 GCADHN COc1c(F)cccc1S(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000866762284 641326837 /nfs/dbraw/zinc/32/68/37/641326837.db2.gz NSZARWUKRYJWSI-GFCCVEGCSA-N 0 3 385.383 0.949 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H]2CC[C@@H](C[NH3+])C2)c1I ZINC000866769207 641328520 /nfs/dbraw/zinc/32/85/20/641328520.db2.gz KAVJKRSUVAQNES-SFYZADRCSA-N 0 3 384.243 0.430 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCC[C@H]2CCC[NH2+]2)c1I ZINC000866768915 641328610 /nfs/dbraw/zinc/32/86/10/641328610.db2.gz GFBKLUYZZSZAQN-SECBINFHSA-N 0 3 398.270 0.835 20 0 GCADHN COc1cccc(Br)c1CS(=O)(=O)NC[C@@H]1CNCCO1 ZINC000866770956 641328906 /nfs/dbraw/zinc/32/89/06/641328906.db2.gz JJNPIARIAPNWKX-JTQLQIEISA-N 0 3 379.276 0.866 20 0 GCADHN COc1cccc(Br)c1CS(=O)(=O)[N-]C[C@@H]1C[NH2+]CCO1 ZINC000866770956 641328909 /nfs/dbraw/zinc/32/89/09/641328909.db2.gz JJNPIARIAPNWKX-JTQLQIEISA-N 0 3 379.276 0.866 20 0 GCADHN CS(=O)(=O)N1CCC[C@H](COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000786484272 641329445 /nfs/dbraw/zinc/32/94/45/641329445.db2.gz AYDZSJGYPPJJNV-AXFHLTTASA-N 0 3 386.392 0.658 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CC2([NH3+])CCCC2)c1I ZINC000866776612 641330200 /nfs/dbraw/zinc/33/02/00/641330200.db2.gz JSPNMBOCVCUGGT-UHFFFAOYSA-N 0 3 384.243 0.575 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CC23CC(C2)C[NH2+]3)c1I ZINC000866778378 641330850 /nfs/dbraw/zinc/33/08/50/641330850.db2.gz DNHFAIQYYYFSNT-UHFFFAOYSA-N 0 3 382.227 0.055 20 0 GCADHN CC(C)[C@H]([NH3+])CC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866779299 641330993 /nfs/dbraw/zinc/33/09/93/641330993.db2.gz OVCZGVRHZNIHPU-MRVPVSSYSA-N 0 3 386.259 0.676 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H]2CC[C@H](C[NH3+])CC2)c1I ZINC000866792727 641333905 /nfs/dbraw/zinc/33/39/05/641333905.db2.gz JRBBVGVCSCSLRI-KYZUINATSA-N 0 3 398.270 0.821 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCNCCC2(C)C)cc1C ZINC000866802663 641334850 /nfs/dbraw/zinc/33/48/50/641334850.db2.gz IFSDIPMVIRFUEN-UHFFFAOYSA-N 0 3 375.516 0.666 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1F ZINC000866827298 641338871 /nfs/dbraw/zinc/33/88/71/641338871.db2.gz KTOZKHCRYUTZJG-UONOGXRCSA-N 0 3 377.463 0.712 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C[C@H]2C[C@@H]([NH+](C)C)C2)c1I ZINC000867485330 641345714 /nfs/dbraw/zinc/34/57/14/641345714.db2.gz RFLZBBTWORRJMQ-DTORHVGOSA-N 0 3 398.270 0.643 20 0 GCADHN CN(C)CCCS(=O)(=O)N[C@H]1COC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000867510432 641349352 /nfs/dbraw/zinc/34/93/52/641349352.db2.gz MKMSJSQCOQDVKE-CYBMUJFWSA-N 0 3 377.507 0.636 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(Cl)nc2)CC1=O ZINC000867708790 641369347 /nfs/dbraw/zinc/36/93/47/641369347.db2.gz CKDMSISANMCRER-GFCCVEGCSA-N 0 3 390.893 0.192 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cccnc2Cl)CC1=O ZINC000867709939 641369367 /nfs/dbraw/zinc/36/93/67/641369367.db2.gz SRPBZWJHVCDIGS-GFCCVEGCSA-N 0 3 390.893 0.192 20 0 GCADHN CCOC(=O)[C@H]1[C@@H](NCCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000788646183 641374270 /nfs/dbraw/zinc/37/42/70/641374270.db2.gz JTEWNIXTGJURMG-QWHCGFSZSA-N 0 3 378.491 0.952 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CC1 ZINC000788675619 641375484 /nfs/dbraw/zinc/37/54/84/641375484.db2.gz NORXGOQUUJIJBL-UHFFFAOYSA-N 0 3 390.893 0.437 20 0 GCADHN C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC[C@@H]21 ZINC000867812277 641380909 /nfs/dbraw/zinc/38/09/09/641380909.db2.gz JCJMIVYGWAYUDN-ABAIWWIYSA-N 0 3 391.490 0.912 20 0 GCADHN C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC[C@@H]21 ZINC000867812277 641380912 /nfs/dbraw/zinc/38/09/12/641380912.db2.gz JCJMIVYGWAYUDN-ABAIWWIYSA-N 0 3 391.490 0.912 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Br)nc1OC ZINC000789585511 641394979 /nfs/dbraw/zinc/39/49/79/641394979.db2.gz CWCLISIETANKMT-UHFFFAOYSA-N 0 3 389.250 0.222 20 0 GCADHN CCc1[nH]nc(C(=O)N2CCN(CC[S@](C)=O)CC2)c1Br ZINC000789961139 641401321 /nfs/dbraw/zinc/40/13/21/641401321.db2.gz GMLNIFPVYRIJPM-NRFANRHFSA-N 0 3 377.308 0.871 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)Cn3ccc(Br)cc3=O)[C@H]2C1 ZINC000868569471 641407191 /nfs/dbraw/zinc/40/71/91/641407191.db2.gz KTZWFLCCOZAGSH-UONOGXRCSA-N 0 3 384.274 0.932 20 0 GCADHN CN(C)CCN1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1=O ZINC000869131232 641417492 /nfs/dbraw/zinc/41/74/92/641417492.db2.gz IIOPGRQTQNUYQN-UHFFFAOYSA-N 0 3 394.273 0.943 20 0 GCADHN CC(C)(O)CN1CC[C@H](NC(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000869783007 641429287 /nfs/dbraw/zinc/42/92/87/641429287.db2.gz UWACSOPEQPBNNK-VIFPVBQESA-N 0 3 382.412 0.289 20 0 GCADHN CN1CCN(c2ccnc(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000870667020 641443421 /nfs/dbraw/zinc/44/34/21/641443421.db2.gz BQXMOSTVLQUVKV-CQSZACIVSA-N 0 3 384.527 0.692 20 0 GCADHN CN([C@@H](C(N)=O)c1cccc(Br)c1)S(=O)(=O)N1CCNCC1 ZINC000923633123 641457528 /nfs/dbraw/zinc/45/75/28/641457528.db2.gz RKQWBBOXGBHHES-GFCCVEGCSA-N 0 3 391.291 0.057 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)nc1Br ZINC000792948934 641458225 /nfs/dbraw/zinc/45/82/25/641458225.db2.gz LZZFXBOLPNLVMW-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@]23CCC[C@@H]2[NH2+]CC3)c1I ZINC000871820551 641460001 /nfs/dbraw/zinc/46/00/01/641460001.db2.gz QNZAZHUYRFDDJW-GXSJLCMTSA-N 0 3 396.254 0.588 20 0 GCADHN Cn1ncc(I)c1CN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000873275651 641502280 /nfs/dbraw/zinc/50/22/80/641502280.db2.gz IQUBLSHXRMUCCT-QWHCGFSZSA-N 0 3 376.242 0.881 20 0 GCADHN CC(C)(O)CN1CC[C@H](NC(=O)C(=O)Nc2cccnc2Br)C1 ZINC000873973342 641514020 /nfs/dbraw/zinc/51/40/20/641514020.db2.gz FMJCGYPRJLXDEZ-JTQLQIEISA-N 0 3 385.262 0.744 20 0 GCADHN CN(CCS(N)(=O)=O)C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000874601250 641530301 /nfs/dbraw/zinc/53/03/01/641530301.db2.gz BSEBDIHHWFRHCE-CQSZACIVSA-N 0 3 375.441 0.891 20 0 GCADHN CN1CCN(C2CCN(C(=O)C(=O)NC[C@@H]3CSCCS3)CC2)CC1 ZINC000875226218 641540835 /nfs/dbraw/zinc/54/08/35/641540835.db2.gz XIBKPOFVVZOTOF-OAHLLOKOSA-N 0 3 386.587 0.190 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)NCc1ncc(Br)s1 ZINC000875263080 641542230 /nfs/dbraw/zinc/54/22/30/641542230.db2.gz JPMHLKCNCXSVTH-UHFFFAOYSA-N 0 3 393.307 0.606 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)Cn1cc(Br)cn1 ZINC000876473626 641563924 /nfs/dbraw/zinc/56/39/24/641563924.db2.gz XXRBVPRLCHMIBN-CQSZACIVSA-N 0 3 375.267 0.451 20 0 GCADHN Cn1ncc(CN)c1C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000876721054 641568938 /nfs/dbraw/zinc/56/89/38/641568938.db2.gz QFWOYPHQEITHFC-UHFFFAOYSA-N 0 3 379.262 0.999 20 0 GCADHN Cc1cc(N2CC[C@@H](NC(=O)[C@@H](N)CN(C)C)C2=O)ccc1Br ZINC000876895100 641571864 /nfs/dbraw/zinc/57/18/64/641571864.db2.gz VQDOQIWEOBUUGK-UONOGXRCSA-N 0 3 383.290 0.868 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000798326883 641582946 /nfs/dbraw/zinc/58/29/46/641582946.db2.gz VUYRHBFRURIOJE-LBPRGKRZSA-N 0 3 388.921 0.743 20 0 GCADHN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)S(=O)(=O)N1CCNCC1 ZINC000923661467 641583758 /nfs/dbraw/zinc/58/37/58/641583758.db2.gz FTJLLJMDSCBXOJ-ZDUSSCGKSA-N 0 3 398.312 0.815 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000878084322 641588942 /nfs/dbraw/zinc/58/89/42/641588942.db2.gz DLJGTZRLPNGWMH-SMDDNHRTSA-N 0 3 392.319 0.988 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC000879561467 641615736 /nfs/dbraw/zinc/61/57/36/641615736.db2.gz PCUMOHHQQLCQMM-GJZGRUSLSA-N 0 3 383.539 0.678 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cc(Br)nn2C)CC1 ZINC000879641938 641617484 /nfs/dbraw/zinc/61/74/84/641617484.db2.gz GOONRARBNDQSIS-LLVKDONJSA-N 0 3 399.293 0.953 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)c1cccnc1I ZINC000879998561 641624256 /nfs/dbraw/zinc/62/42/56/641624256.db2.gz VCGOSPKGAWZJFH-JTQLQIEISA-N 0 3 375.210 0.873 20 0 GCADHN COCCN(CCN(C)C)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000881118773 641640078 /nfs/dbraw/zinc/64/00/78/641640078.db2.gz IQDITNRALLTMHI-UHFFFAOYSA-N 0 3 376.504 0.656 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1nc2c(s1)CSCC2 ZINC000806903766 641657397 /nfs/dbraw/zinc/65/73/97/641657397.db2.gz TXUXWFQXYCYQGD-WDEREUQCSA-N 0 3 382.511 0.850 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@@H]2CSCCS2)CC1=O ZINC000808269012 641683577 /nfs/dbraw/zinc/68/35/77/641683577.db2.gz DHPCSLPYVVPWOP-ZIAGYGMSSA-N 0 3 375.560 0.520 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000882103274 641691914 /nfs/dbraw/zinc/69/19/14/641691914.db2.gz XOIKVHQECAFDOW-LLVKDONJSA-N 0 3 394.277 0.630 20 0 GCADHN COc1cnccc1N1CCN(S(=O)(=O)N=[S@](C)(=O)N(C)C)CC1 ZINC000882147003 641696752 /nfs/dbraw/zinc/69/67/52/641696752.db2.gz HDQPZZQNSQEDLX-QHCPKHFHSA-N 0 3 377.492 0.031 20 0 GCADHN NS(=O)(=O)c1ccc(CNC[C@@H]2COC3(CCOCC3)O2)cc1Cl ZINC000809425730 641706016 /nfs/dbraw/zinc/70/60/16/641706016.db2.gz SBKWPXLBWOBFBC-GFCCVEGCSA-N 0 3 376.862 0.999 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000809524804 641708759 /nfs/dbraw/zinc/70/87/59/641708759.db2.gz FMQPYSUAOHIQBD-MGPQQGTHSA-N 0 3 375.560 0.519 20 0 GCADHN CC(C)(C)OC(=O)NC[C@](C)(O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000810014687 641718369 /nfs/dbraw/zinc/71/83/69/641718369.db2.gz ALRRKLIJUFITMW-INIZCTEOSA-N 0 3 379.523 0.523 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000882633834 641729393 /nfs/dbraw/zinc/72/93/93/641729393.db2.gz DCLRHORXMHZDBK-GRYCIOLGSA-N 0 3 386.392 0.610 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C)(N3CCC3)CC2)cc1 ZINC000882769054 641740307 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C[C@@H](O)[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000661772593 1192179616 /nfs/dbraw/zinc/17/96/16/1192179616.db2.gz KEYSNZMKRJTDAP-RHSMWYFYSA-N 0 3 399.488 0.504 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)c2ccccc2O1 ZINC000652293578 1192180488 /nfs/dbraw/zinc/18/04/88/1192180488.db2.gz ZGCPIVUFWRTATJ-KRWDZBQOSA-N 0 3 388.468 0.471 20 0 GCADHN C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000605875552 1192183154 /nfs/dbraw/zinc/18/31/54/1192183154.db2.gz CIKGKOZYBANCBK-UHFFFAOYSA-N 0 3 394.431 0.792 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1cccc(F)c1F ZINC000636670561 1192187741 /nfs/dbraw/zinc/18/77/41/1192187741.db2.gz AIYNBNILYLQFRZ-OAHLLOKOSA-N 0 3 396.438 0.640 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCc1nnnn1-c1ccccc1 ZINC000511899780 1192191057 /nfs/dbraw/zinc/19/10/57/1192191057.db2.gz YDWZJAUEIQCHTE-INIZCTEOSA-N 0 3 386.504 0.530 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H]([C@H]3CCCCO3)C2)CC1 ZINC000661880561 1192191859 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C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCN1C[C@H]2CCCCN2C1=O ZINC000662004889 1192215508 /nfs/dbraw/zinc/21/55/08/1192215508.db2.gz MMWIKQDYWKUTRZ-HUUCEWRRSA-N 0 3 380.493 0.038 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@](C)(O)Cc2ccccc2)CC1=O ZINC000647721245 1192216503 /nfs/dbraw/zinc/21/65/03/1192216503.db2.gz PRINQVCMKFKTFN-XLIONFOSSA-N 0 3 377.485 0.275 20 0 GCADHN CC[C@H]1c2ccsc2CCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652409814 1192217075 /nfs/dbraw/zinc/21/70/75/1192217075.db2.gz JEHLXCJYCYAWCG-HNNXBMFYSA-N 0 3 392.525 0.816 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000652413565 1192218639 /nfs/dbraw/zinc/21/86/39/1192218639.db2.gz ZFTIGSUAMOWFLL-UHFFFAOYSA-N 0 3 392.525 0.977 20 0 GCADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652425175 1192220773 /nfs/dbraw/zinc/22/07/73/1192220773.db2.gz FJRZGECHZAYIIW-KRWDZBQOSA-N 0 3 380.533 0.942 20 0 GCADHN CCCNC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCC1 ZINC001268038696 1192222945 /nfs/dbraw/zinc/22/29/45/1192222945.db2.gz NPFNFQWTCDCIIA-NMNMXBMNSA-N 0 3 392.500 0.664 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)[C@H](c2ccco2)C1 ZINC000652470207 1192229255 /nfs/dbraw/zinc/22/92/55/1192229255.db2.gz QNBGKOVPRUOYAA-HOTGVXAUSA-N 0 3 390.484 0.812 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCc3c(F)cc(F)cc3C2)CC1=O ZINC000652472546 1192229789 /nfs/dbraw/zinc/22/97/89/1192229789.db2.gz UVUIOKACTMWUQL-UHFFFAOYSA-N 0 3 394.422 0.082 20 0 GCADHN CC[C@@H]1CO[C@@H](CC)CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000652512918 1192234631 /nfs/dbraw/zinc/23/46/31/1192234631.db2.gz SBVPHGVXKYEWKE-SJORKVTESA-N 0 3 394.516 0.169 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1C[C@H](C)[C@](C)(CO)C1 ZINC000662149603 1192245990 /nfs/dbraw/zinc/24/59/90/1192245990.db2.gz NXWAPCMLUMUDCW-IYOUNJFTSA-N 0 3 383.514 0.332 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N1C[C@H](C)[C@](C)(CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000662142837 1192246208 /nfs/dbraw/zinc/24/62/08/1192246208.db2.gz MVNJQEMNWRXLTO-NUXNZHGMSA-N 0 3 383.514 0.850 20 0 GCADHN C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000979119999 1192252197 /nfs/dbraw/zinc/25/21/97/1192252197.db2.gz PSTKEJBDPNDJSO-NXHUNJGVSA-N 0 3 379.501 0.391 20 0 GCADHN CC(=O)NCCOCCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001268044382 1192268391 /nfs/dbraw/zinc/26/83/91/1192268391.db2.gz DPUZWYQYAKZBOI-LFDJNIOPSA-N 0 3 391.512 0.487 20 0 GCADHN Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CN(C)CCN3C)C2)cc1 ZINC000636702842 1192272468 /nfs/dbraw/zinc/27/24/68/1192272468.db2.gz ZUBPGDSTGAIDTN-RTBURBONSA-N 0 3 387.528 0.048 20 0 GCADHN CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)NCC1CC1 ZINC001719826156 1192273316 /nfs/dbraw/zinc/27/33/16/1192273316.db2.gz QDKKNBIQULRTFA-QZWWFDLISA-N 0 3 376.501 0.634 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(F)c(C(=O)OC)c(F)c2)CC1 ZINC000549597376 1192286798 /nfs/dbraw/zinc/28/67/98/1192286798.db2.gz DIZAXRFQNNHDPY-UHFFFAOYSA-N 0 3 398.410 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0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000663394947 1192320813 /nfs/dbraw/zinc/32/08/13/1192320813.db2.gz APGABINZVXBFAC-ZDUSSCGKSA-N 0 3 382.486 0.987 20 0 GCADHN CCN1CCN(CCNc2ccc(C(=O)C3CC3)cc2S(N)(=O)=O)CC1 ZINC000663397534 1192321615 /nfs/dbraw/zinc/32/16/15/1192321615.db2.gz NELSOPRXWZKXFI-UHFFFAOYSA-N 0 3 380.514 0.976 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000663416334 1192329272 /nfs/dbraw/zinc/32/92/72/1192329272.db2.gz MZTXYMXQISVECR-QGZVFWFLSA-N 0 3 397.545 0.859 20 0 GCADHN Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000330291705 1192329583 /nfs/dbraw/zinc/32/95/83/1192329583.db2.gz CWHCKSQQZMELMB-GDBMZVCRSA-N 0 3 376.486 0.982 20 0 GCADHN CCOC(=O)N1CCC(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC000728880757 1192345983 /nfs/dbraw/zinc/34/59/83/1192345983.db2.gz DESSHFLVSADICW-UHFFFAOYSA-N 0 3 382.505 0.868 20 0 GCADHN Cc1sc(=O)n(CCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1C ZINC000604324253 1192352001 /nfs/dbraw/zinc/35/20/01/1192352001.db2.gz LTOOEADCTATENR-HNNXBMFYSA-N 0 3 380.514 0.857 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccccc1SCC(N)=O ZINC000663491382 1192358454 /nfs/dbraw/zinc/35/84/54/1192358454.db2.gz NRJKECLGWIJHBQ-UHFFFAOYSA-N 0 3 381.502 0.748 20 0 GCADHN O=C(NC[C@H](n1cncn1)C(F)(F)F)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000637004513 1192363438 /nfs/dbraw/zinc/36/34/38/1192363438.db2.gz CBAZRTHOUKGXCN-XQQFMLRXSA-N 0 3 388.394 0.631 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCCCn3ccnc3)C2)CC1 ZINC000585683094 1192365512 /nfs/dbraw/zinc/36/55/12/1192365512.db2.gz ZQIORQRGACKTEA-KRWDZBQOSA-N 0 3 376.505 0.016 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000637021238 1192368189 /nfs/dbraw/zinc/36/81/89/1192368189.db2.gz YPZIMZGOKLCEQP-CHWSQXEVSA-N 0 3 390.410 0.734 20 0 GCADHN CC(=O)NC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCN2C)CCCC1 ZINC001719843477 1192374366 /nfs/dbraw/zinc/37/43/66/1192374366.db2.gz KEVABIVFCPMWAM-QZWWFDLISA-N 0 3 376.501 0.778 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000663538176 1192378705 /nfs/dbraw/zinc/37/87/05/1192378705.db2.gz FWYWCRSISKUDGG-UHFFFAOYSA-N 0 3 392.504 0.080 20 0 GCADHN CC1(O)CCN(c2cc(N3CCN(C(=O)CN4CCCC4)CC3)ncn2)CC1 ZINC000663538756 1192379303 /nfs/dbraw/zinc/37/93/03/1192379303.db2.gz KLUZTURLHTXWJA-UHFFFAOYSA-N 0 3 388.516 0.572 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000663551291 1192384928 /nfs/dbraw/zinc/38/49/28/1192384928.db2.gz HLJHWNSDIKWOHP-UHFFFAOYSA-N 0 3 377.489 0.550 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000663562168 1192390965 /nfs/dbraw/zinc/39/09/65/1192390965.db2.gz GHAYJFDIGMSBTB-UHFFFAOYSA-N 0 3 393.488 0.546 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)cc1 ZINC000005739145 1192391686 /nfs/dbraw/zinc/39/16/86/1192391686.db2.gz IXKBDFNXMFDUBB-MRXNPFEDSA-N 0 3 381.498 0.597 20 0 GCADHN C[C@H]1c2ccccc2OCCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000663574421 1192394403 /nfs/dbraw/zinc/39/44/03/1192394403.db2.gz GNRFEGQLHOZXLT-HNNXBMFYSA-N 0 3 388.468 0.201 20 0 GCADHN Cc1nn(C)c(C)c1[C@H]1[C@H](NC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC(=O)N1C ZINC000431947616 1192394484 /nfs/dbraw/zinc/39/44/84/1192394484.db2.gz ALEPJFPICXREOY-SLQVBAIZSA-N 0 3 393.532 0.368 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000585716913 1192396306 /nfs/dbraw/zinc/39/63/06/1192396306.db2.gz DFTKLHLXMUENPG-QWHCGFSZSA-N 0 3 380.411 0.950 20 0 GCADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@H](N2CCOCC2)CC1 ZINC000585716912 1192396594 /nfs/dbraw/zinc/39/65/94/1192396594.db2.gz DFTKLHLXMUENPG-OLZOCXBDSA-N 0 3 380.411 0.950 20 0 GCADHN C[C@@H](CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)NC(=O)c1ccccc1 ZINC000153203159 1192407172 /nfs/dbraw/zinc/40/71/72/1192407172.db2.gz VQFLZYBVNMKXDQ-FUHWJXTLSA-N 0 3 386.496 0.960 20 0 GCADHN CC(C)(CO)N1CCN(c2cnc(N3CCN(C(C)(C)CO)CC3)cn2)CC1 ZINC000663611912 1192417123 /nfs/dbraw/zinc/41/71/23/1192417123.db2.gz NEJAVZKLLKOGMT-UHFFFAOYSA-N 0 3 392.548 0.262 20 0 GCADHN Cc1cccc([C@@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)N2CCOCC2)c1 ZINC000663621216 1192422392 /nfs/dbraw/zinc/42/23/92/1192422392.db2.gz UEPQCAUSVJSHHN-QYZOEREBSA-N 0 3 376.501 0.685 20 0 GCADHN CC(C)C[C@@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268110910 1192428232 /nfs/dbraw/zinc/42/82/32/1192428232.db2.gz KBZUPVJHNXRPMM-JJXSEGSLSA-N 0 3 380.489 0.663 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CN2CCc3ccccc3C2=O)CC1 ZINC000279201785 1192484538 /nfs/dbraw/zinc/48/45/38/1192484538.db2.gz KBUUVMKNRQZHQN-UHFFFAOYSA-N 0 3 386.496 0.698 20 0 GCADHN Cc1nc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)sc1C ZINC000279215028 1192487316 /nfs/dbraw/zinc/48/73/16/1192487316.db2.gz MRDOKMCUMUDHPR-ZDUSSCGKSA-N 0 3 379.486 0.463 20 0 GCADHN CCC[C@@H](C)C(=O)NCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000432504829 1192489689 /nfs/dbraw/zinc/48/96/89/1192489689.db2.gz AAHUZMHKHNZGDB-MRXNPFEDSA-N 0 3 381.521 0.488 20 0 GCADHN CS(=O)(=O)NC1CN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000637270461 1192494738 /nfs/dbraw/zinc/49/47/38/1192494738.db2.gz KEDAHZJYSUJHFN-UHFFFAOYSA-N 0 3 381.502 0.237 20 0 GCADHN CCCC(=O)N1CCCC[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000432522459 1192508322 /nfs/dbraw/zinc/50/83/22/1192508322.db2.gz GEEGJLUANMWKBK-SFHVURJKSA-N 0 3 382.549 0.674 20 0 GCADHN O=C(CN1CCOCC1=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000279333664 1192525090 /nfs/dbraw/zinc/52/50/90/1192525090.db2.gz QKHHLZQMTZWCHP-UHFFFAOYSA-N 0 3 379.432 0.644 20 0 GCADHN O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279342118 1192527757 /nfs/dbraw/zinc/52/77/57/1192527757.db2.gz BSRKFFSLRYFGIN-HXUWFJFHSA-N 0 3 385.468 0.399 20 0 GCADHN Cc1ccn(C[C@](C)(O)C(=O)NC2CCN(CCOC(C)C)CC2)c(=O)c1 ZINC000279386836 1192534703 /nfs/dbraw/zinc/53/47/03/1192534703.db2.gz VKMORWYQUFHNCB-FQEVSTJZSA-N 0 3 379.501 0.913 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@]3(O)CCO[C@H]3C)c2)CC1 ZINC000279420865 1192538729 /nfs/dbraw/zinc/53/87/29/1192538729.db2.gz JGJDNSRPDWFUKZ-YWZLYKJASA-N 0 3 390.484 0.423 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)F)CC1=O ZINC000432532442 1192536001 /nfs/dbraw/zinc/53/60/01/1192536001.db2.gz WPYWTWICPYNPED-BFYDXBDKSA-N 0 3 383.439 0.750 20 0 GCADHN C[C@@H]1Oc2c(cccc2C(=O)NCCCCN2CCN(CCO)CC2)NC1=O ZINC000432532064 1192536882 /nfs/dbraw/zinc/53/68/82/1192536882.db2.gz UFDDCUGNZCSYOM-HNNXBMFYSA-N 0 3 390.484 0.526 20 0 GCADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)NCCN(CC)CCO)c1C ZINC000279415396 1192539074 /nfs/dbraw/zinc/53/90/74/1192539074.db2.gz OKMZNJJVWWBMJS-UHFFFAOYSA-N 0 3 379.461 0.505 20 0 GCADHN CC(=O)Nc1ccc(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000279500605 1192547076 /nfs/dbraw/zinc/54/70/76/1192547076.db2.gz NYXMCLTZGDGTCX-INIZCTEOSA-N 0 3 390.488 0.782 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000432545074 1192549084 /nfs/dbraw/zinc/54/90/84/1192549084.db2.gz ZJCLDGXYJXIMRB-KRWDZBQOSA-N 0 3 392.475 0.758 20 0 GCADHN COC(=O)CN(CCc1ccccc1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000512209306 1192549118 /nfs/dbraw/zinc/54/91/18/1192549118.db2.gz PSSNAFXFOBYBJB-QGZVFWFLSA-N 0 3 375.469 0.641 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cnn(C[C@H](O)CO)c1 ZINC000613991975 1192552678 /nfs/dbraw/zinc/55/26/78/1192552678.db2.gz GHZQFGDZRRIYFU-RBUKOAKNSA-N 0 3 388.468 0.257 20 0 GCADHN CN(C)C(=O)c1cccc(NC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000512218932 1192553526 /nfs/dbraw/zinc/55/35/26/1192553526.db2.gz NSAOWWDEZKTURM-UHFFFAOYSA-N 0 3 391.516 0.900 20 0 GCADHN Cn1cc(CNCCNS(C)(=O)=O)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000051188372 1192583885 /nfs/dbraw/zinc/58/38/85/1192583885.db2.gz CIYAZRFQLXLDBO-UHFFFAOYSA-N 0 3 380.470 0.887 20 0 GCADHN CC1(C)CN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1O ZINC000279739197 1192596113 /nfs/dbraw/zinc/59/61/13/1192596113.db2.gz KJMRHALVOGITHZ-QGZVFWFLSA-N 0 3 384.498 0.789 20 0 GCADHN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000549662937 1192600605 /nfs/dbraw/zinc/60/06/05/1192600605.db2.gz SGCNFKLPTIQBEQ-RHSMWYFYSA-N 0 3 384.502 0.109 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000509738337 1192609505 /nfs/dbraw/zinc/60/95/05/1192609505.db2.gz PMDQUPHYHXQJRE-UHFFFAOYSA-N 0 3 390.528 0.724 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418632148 1192620870 /nfs/dbraw/zinc/62/08/70/1192620870.db2.gz HCUPIMXUSMVYIK-WDYCEAGBSA-N 0 3 377.485 0.929 20 0 GCADHN COCC1(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC[NH2+]CC1 ZINC000418640480 1192623013 /nfs/dbraw/zinc/62/30/13/1192623013.db2.gz OJDYFJBTHAFUEB-UHFFFAOYSA-N 0 3 390.484 0.876 20 0 GCADHN COC(=O)c1cn([C@@H]2CCN(C(=O)NC[C@H]3NCCc4ccccc43)C2)nn1 ZINC000418642213 1192623436 /nfs/dbraw/zinc/62/34/36/1192623436.db2.gz SWKJLSGNWIXCFY-GDBMZVCRSA-N 0 3 384.440 0.908 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000663806917 1192623741 /nfs/dbraw/zinc/62/37/41/1192623741.db2.gz RGRZKRJGCOQIJK-QGZVFWFLSA-N 0 3 391.516 0.867 20 0 GCADHN COC(=O)c1cn([C@@H]2CCN(C(=O)NC[C@@H]3NCCc4ccccc43)C2)nn1 ZINC000418642216 1192623778 /nfs/dbraw/zinc/62/37/78/1192623778.db2.gz SWKJLSGNWIXCFY-ZBFHGGJFSA-N 0 3 384.440 0.908 20 0 GCADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](CO)CN2CCCCC2)cc1C ZINC000512355563 1192628038 /nfs/dbraw/zinc/62/80/38/1192628038.db2.gz ZEJOEBYVKKHQLF-KRWDZBQOSA-N 0 3 397.541 0.887 20 0 GCADHN CCCN(CC)CCn1c(-c2cnn(C)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001745610764 1192629504 /nfs/dbraw/zinc/62/95/04/1192629504.db2.gz PKBVQQVEYWTBSX-UHFFFAOYSA-N 0 3 395.533 0.645 20 0 GCADHN O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)NC[C@@H]1CNCCO1 ZINC000418766505 1192641123 /nfs/dbraw/zinc/64/11/23/1192641123.db2.gz MWBNUYUFSBZQLD-JSGCOSHPSA-N 0 3 377.363 0.733 20 0 GCADHN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000509741322 1192646530 /nfs/dbraw/zinc/64/65/30/1192646530.db2.gz SXKUVNVRSVUPGS-AWEZNQCLSA-N 0 3 391.472 0.404 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000418798756 1192648082 /nfs/dbraw/zinc/64/80/82/1192648082.db2.gz VTEUQASLFSOEBL-STQMWFEESA-N 0 3 398.410 0.088 20 0 GCADHN O=C(NCc1nn(-c2ccccc2)c2c1CCC2)C(=O)NC[C@@H]1CNCCO1 ZINC000418805588 1192649938 /nfs/dbraw/zinc/64/99/38/1192649938.db2.gz BOUCSXSULGCYNX-HNNXBMFYSA-N 0 3 383.452 0.082 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C(=O)N1Cc2ccccc2C1 ZINC000418820945 1192654177 /nfs/dbraw/zinc/65/41/77/1192654177.db2.gz FXWUBKAHAPTRGX-DVOMOZLQSA-N 0 3 388.468 0.263 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCCNCC2)c(OC[C@H]2CCCO2)c1 ZINC000418817877 1192655012 /nfs/dbraw/zinc/65/50/12/1192655012.db2.gz SMMUPSUICJOVCJ-QGZVFWFLSA-N 0 3 375.469 0.991 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000418827317 1192657860 /nfs/dbraw/zinc/65/78/60/1192657860.db2.gz DNPWHBJJYKSCKE-SOUVJXGZSA-N 0 3 378.473 0.762 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2CCN[C@@H](C)C2)N(C)C)cc1OC ZINC000418828742 1192658295 /nfs/dbraw/zinc/65/82/95/1192658295.db2.gz HYXYLLMDWQUSDJ-ZFWWWQNUSA-N 0 3 378.473 0.243 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C[C@H](C)N1 ZINC000418837593 1192662487 /nfs/dbraw/zinc/66/24/87/1192662487.db2.gz AWMXPPMXZIEUNO-ROUUACIJSA-N 0 3 387.528 0.129 20 0 GCADHN O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000418841563 1192663254 /nfs/dbraw/zinc/66/32/54/1192663254.db2.gz GSNUKMGXXVKCIX-BGYRXZFFSA-N 0 3 399.539 0.273 20 0 GCADHN O=C(NCc1cccc(NC(=O)c2ccccn2)c1)C(=O)N1CCCNCC1 ZINC000418852377 1192666477 /nfs/dbraw/zinc/66/64/77/1192666477.db2.gz VFWJBBHNSNNOBK-UHFFFAOYSA-N 0 3 381.436 0.772 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000418860886 1192670705 /nfs/dbraw/zinc/67/07/05/1192670705.db2.gz FQCSGFMLZCKJRM-ZFWWWQNUSA-N 0 3 376.457 0.070 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000418860883 1192671078 /nfs/dbraw/zinc/67/10/78/1192671078.db2.gz FQCSGFMLZCKJRM-DZGCQCFKSA-N 0 3 376.457 0.070 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCOCCc1ccccc1 ZINC000418873569 1192673914 /nfs/dbraw/zinc/67/39/14/1192673914.db2.gz IALHPYMYFXQBCD-RDJZCZTQSA-N 0 3 377.485 0.981 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCOCCc1ccccc1 ZINC000418873568 1192674219 /nfs/dbraw/zinc/67/42/19/1192674219.db2.gz IALHPYMYFXQBCD-NVXWUHKLSA-N 0 3 377.485 0.981 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCOCCc1ccccc1 ZINC000418873561 1192674288 /nfs/dbraw/zinc/67/42/88/1192674288.db2.gz IALHPYMYFXQBCD-DOTOQJQBSA-N 0 3 377.485 0.981 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000418915489 1192688429 /nfs/dbraw/zinc/68/84/29/1192688429.db2.gz UYYYAQCEAYSLFJ-IMJJTQAJSA-N 0 3 394.516 0.656 20 0 GCADHN CC(C)CC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000418926291 1192693249 /nfs/dbraw/zinc/69/32/49/1192693249.db2.gz UNXXKFACPJNLFY-MRXNPFEDSA-N 0 3 376.457 0.392 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000418933059 1192694604 /nfs/dbraw/zinc/69/46/04/1192694604.db2.gz IPRPSXVZDBEBDB-PBHICJAKSA-N 0 3 385.468 0.777 20 0 GCADHN Cc1ccccc1OCCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000418943075 1192696922 /nfs/dbraw/zinc/69/69/22/1192696922.db2.gz YJHDHWIQKFALBU-MRXNPFEDSA-N 0 3 386.456 0.404 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN(C)c1ccccc1F ZINC000418937692 1192697111 /nfs/dbraw/zinc/69/71/11/1192697111.db2.gz OWXDXQVSJQJRRF-ZFWWWQNUSA-N 0 3 380.464 0.997 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000418939287 1192698027 /nfs/dbraw/zinc/69/80/27/1192698027.db2.gz FNBLNVKCUQABHH-WFASDCNBSA-N 0 3 394.447 0.291 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000418959043 1192699801 /nfs/dbraw/zinc/69/98/01/1192699801.db2.gz GSLGUASADQRVHW-DOMZBBRYSA-N 0 3 394.447 0.291 20 0 GCADHN O=C(NCc1nc(-c2ccccc2F)cs1)C(=O)NC[C@@H]1CNCCO1 ZINC000418963620 1192703711 /nfs/dbraw/zinc/70/37/11/1192703711.db2.gz IIWSEBLIPPCLRY-NSHDSACASA-N 0 3 378.429 0.670 20 0 GCADHN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418970169 1192706590 /nfs/dbraw/zinc/70/65/90/1192706590.db2.gz WKVVBWXVQSWGDE-CJNGLKHVSA-N 0 3 381.448 0.840 20 0 GCADHN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418970170 1192706673 /nfs/dbraw/zinc/70/66/73/1192706673.db2.gz WKVVBWXVQSWGDE-CZUORRHYSA-N 0 3 381.448 0.840 20 0 GCADHN Cc1nn(C)c(C)c1[C@H]1[C@H](NC[C@@H](O)COCC(F)(F)F)CC(=O)N1C ZINC000432787423 1192707474 /nfs/dbraw/zinc/70/74/74/1192707474.db2.gz SGBXUMCTJJAMAI-LALPHHSUSA-N 0 3 378.395 0.838 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCCOC3CCCCC3)C2)nn1 ZINC000419008926 1192715836 /nfs/dbraw/zinc/71/58/36/1192715836.db2.gz UXHWFMZSMOKCLT-MRXNPFEDSA-N 0 3 392.504 0.756 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCCOC3CCCCC3)C2)nn1 ZINC000419008924 1192716012 /nfs/dbraw/zinc/71/60/12/1192716012.db2.gz UXHWFMZSMOKCLT-INIZCTEOSA-N 0 3 392.504 0.756 20 0 GCADHN N[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 ZINC000419025915 1192728019 /nfs/dbraw/zinc/72/80/19/1192728019.db2.gz AXLUKDBIBLZBAY-CVEARBPZSA-N 0 3 384.411 0.863 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000432810750 1192733425 /nfs/dbraw/zinc/73/34/25/1192733425.db2.gz ARSCDQNFEFDHIO-CQSZACIVSA-N 0 3 399.517 0.906 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1 ZINC000112917139 1192731253 /nfs/dbraw/zinc/73/12/53/1192731253.db2.gz BEHDKXQMMFXLDR-HZPDHXFCSA-N 0 3 386.500 0.467 20 0 GCADHN CS(=O)(=O)CC[C@H](N)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000237335252 1192739684 /nfs/dbraw/zinc/73/96/84/1192739684.db2.gz ROCSXEGAESNJGC-SFHVURJKSA-N 0 3 396.557 0.073 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCc1ccccc1N1CCOCC1)c1ccccc1 ZINC000419050801 1192749531 /nfs/dbraw/zinc/74/95/31/1192749531.db2.gz ZHWVNCCEHJZTLA-SFHVURJKSA-N 0 3 382.464 0.956 20 0 GCADHN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419057241 1192753467 /nfs/dbraw/zinc/75/34/67/1192753467.db2.gz NQRUVPPNBVLLAM-DOMZBBRYSA-N 0 3 376.432 0.469 20 0 GCADHN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419057244 1192753845 /nfs/dbraw/zinc/75/38/45/1192753845.db2.gz NQRUVPPNBVLLAM-WFASDCNBSA-N 0 3 376.432 0.469 20 0 GCADHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000439954244 1192759744 /nfs/dbraw/zinc/75/97/44/1192759744.db2.gz ZUPULCJGXAXVOF-QSJFSLAZSA-N 0 3 385.530 0.797 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)C[C@H](N)c3ccccc3)CC2)cn1 ZINC000237701581 1192759747 /nfs/dbraw/zinc/75/97/47/1192759747.db2.gz BDZUPESVLSQGDR-KRWDZBQOSA-N 0 3 391.497 0.780 20 0 GCADHN O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)N1CCCNCC1 ZINC000419070339 1192766162 /nfs/dbraw/zinc/76/61/62/1192766162.db2.gz VDXFPNRMKVXTOE-CQSZACIVSA-N 0 3 382.823 0.523 20 0 GCADHN CN(CCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)c1ccccc1 ZINC000419070221 1192766811 /nfs/dbraw/zinc/76/68/11/1192766811.db2.gz HFGXZGLSUYFJLN-QGZVFWFLSA-N 0 3 385.472 0.153 20 0 GCADHN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)C(=O)NC[C@H]1CNCCO1 ZINC000419074965 1192773016 /nfs/dbraw/zinc/77/30/16/1192773016.db2.gz NTKRRNPCIBSTEK-OAHLLOKOSA-N 0 3 388.399 0.734 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)C[C@H](C)N1 ZINC000419078551 1192775100 /nfs/dbraw/zinc/77/51/00/1192775100.db2.gz SUNGQZSCMJTMNU-BBWFWOEESA-N 0 3 388.512 0.732 20 0 GCADHN CC(C)(O)CN1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000728926776 1192775198 /nfs/dbraw/zinc/77/51/98/1192775198.db2.gz TVUUMLXYZBLZPE-UHFFFAOYSA-N 0 3 395.504 0.051 20 0 GCADHN O=C([C@H]1CCCC[NH2+]1)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000237997627 1192775263 /nfs/dbraw/zinc/77/52/63/1192775263.db2.gz QDMQUXZNKIUFAG-CQSZACIVSA-N 0 3 377.470 0.538 20 0 GCADHN Cc1ccc(C[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)c2ccccn2)cc1 ZINC000419079552 1192775612 /nfs/dbraw/zinc/77/56/12/1192775612.db2.gz NENXGVUFXZGJKZ-HKUYNNGSSA-N 0 3 382.464 0.895 20 0 GCADHN C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)N3CCNC(C)(C)C3)c2)CCO1 ZINC000419079002 1192776378 /nfs/dbraw/zinc/77/63/78/1192776378.db2.gz UAXABSLPEUBEPD-MRXNPFEDSA-N 0 3 388.512 0.734 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000509722797 1192779781 /nfs/dbraw/zinc/77/97/81/1192779781.db2.gz UTENCGVQVCEECO-UHFFFAOYSA-N 0 3 380.464 0.559 20 0 GCADHN CN(CCCN(C)C(=O)C(=O)N1CCN2CCOC[C@H]2C1)Cc1ccco1 ZINC000410644130 1192784889 /nfs/dbraw/zinc/78/48/89/1192784889.db2.gz QRGUDELTIVIJNF-MRXNPFEDSA-N 0 3 378.473 0.103 20 0 GCADHN O=C(NCCCO[C@@H]1CCCc2ccccc21)C(=O)NC[C@H]1CNCCO1 ZINC000419087922 1192779951 /nfs/dbraw/zinc/77/99/51/1192779951.db2.gz KAOMLFLYDDCFDG-SJLPKXTDSA-N 0 3 375.469 0.692 20 0 GCADHN COC(=O)COc1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419085977 1192783036 /nfs/dbraw/zinc/78/30/36/1192783036.db2.gz DJNYVIXNZPYOSH-SWLSCSKDSA-N 0 3 393.440 0.084 20 0 GCADHN COC(=O)COc1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419085978 1192783140 /nfs/dbraw/zinc/78/31/40/1192783140.db2.gz DJNYVIXNZPYOSH-WFASDCNBSA-N 0 3 393.440 0.084 20 0 GCADHN COC(=O)COc1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419085976 1192783392 /nfs/dbraw/zinc/78/33/92/1192783392.db2.gz DJNYVIXNZPYOSH-IUODEOHRSA-N 0 3 393.440 0.084 20 0 GCADHN C[C@@H](O)CCN(C)C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000410648794 1192788293 /nfs/dbraw/zinc/78/82/93/1192788293.db2.gz XNVCGAFTYBUVSJ-ZACQAIPSSA-N 0 3 383.533 0.954 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC000410654323 1192793054 /nfs/dbraw/zinc/79/30/54/1192793054.db2.gz PDXAAFKBYAEHCD-GJZGRUSLSA-N 0 3 384.546 0.351 20 0 GCADHN C[C@@H]1CCC[C@@H](C)N(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000410662710 1192794644 /nfs/dbraw/zinc/79/46/44/1192794644.db2.gz CZXPCYFQBBDZJG-IAGOWNOFSA-N 0 3 378.517 0.790 20 0 GCADHN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000419122258 1192794652 /nfs/dbraw/zinc/79/46/52/1192794652.db2.gz WLEMYBAFZDULQN-RDJZCZTQSA-N 0 3 395.525 0.989 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000419123571 1192794754 /nfs/dbraw/zinc/79/47/54/1192794754.db2.gz HBYPRIBAGQEFFV-UKRRQHHQSA-N 0 3 388.468 0.311 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000419122259 1192794984 /nfs/dbraw/zinc/79/49/84/1192794984.db2.gz WLEMYBAFZDULQN-WBVHZDCISA-N 0 3 395.525 0.989 20 0 GCADHN CCSCC[C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000500806709 1192796288 /nfs/dbraw/zinc/79/62/88/1192796288.db2.gz ATGABKUQVYTKGD-HNNXBMFYSA-N 0 3 386.562 0.647 20 0 GCADHN CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)N1CCOCC1 ZINC000419117314 1192802216 /nfs/dbraw/zinc/80/22/16/1192802216.db2.gz MEIDQALFVTZVMH-XIRDDKMYSA-N 0 3 398.548 0.469 20 0 GCADHN C[C@@H]1CCC[C@H](C)N(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000410668807 1192803163 /nfs/dbraw/zinc/80/31/63/1192803163.db2.gz NNAGAWYZZHZEHE-IKGGRYGDSA-N 0 3 378.517 0.789 20 0 GCADHN C[C@@H]1CCC[C@@H](C)N(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000410668809 1192803307 /nfs/dbraw/zinc/80/33/07/1192803307.db2.gz NNAGAWYZZHZEHE-ZACQAIPSSA-N 0 3 378.517 0.789 20 0 GCADHN COc1cc2c(cc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)O[C@H](C)C2 ZINC000419119061 1192803525 /nfs/dbraw/zinc/80/35/25/1192803525.db2.gz AUBZKFHQEOHNDS-XUJVJEKNSA-N 0 3 391.468 0.864 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)C1=O ZINC000500814649 1192808321 /nfs/dbraw/zinc/80/83/21/1192808321.db2.gz RJCOXFVXRDDQFY-HOTGVXAUSA-N 0 3 376.457 0.753 20 0 GCADHN Cc1cccc(N2CCC(NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)n1 ZINC000419136728 1192809715 /nfs/dbraw/zinc/80/97/15/1192809715.db2.gz PNWKVRGXCMLSNM-GDBMZVCRSA-N 0 3 389.500 0.704 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000419142044 1192813000 /nfs/dbraw/zinc/81/30/00/1192813000.db2.gz BOSQPEIHCFXMQK-KRWDZBQOSA-N 0 3 389.477 0.783 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000419146437 1192814605 /nfs/dbraw/zinc/81/46/05/1192814605.db2.gz AYTAYYZXKLQHGG-OCCSQVGLSA-N 0 3 377.441 0.693 20 0 GCADHN CCSCC[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000500831763 1192817438 /nfs/dbraw/zinc/81/74/38/1192817438.db2.gz XDZXFIBEKIHKGB-HUUCEWRRSA-N 0 3 384.546 0.399 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCOC[C@H](C)C3)CC2)C[C@H](C)O1 ZINC000410683305 1192817668 /nfs/dbraw/zinc/81/76/68/1192817668.db2.gz NQPNOFIMVYJBLU-ZACQAIPSSA-N 0 3 381.517 0.829 20 0 GCADHN CCSCC[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000500831762 1192817922 /nfs/dbraw/zinc/81/79/22/1192817922.db2.gz XDZXFIBEKIHKGB-GJZGRUSLSA-N 0 3 384.546 0.399 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000419167078 1192823037 /nfs/dbraw/zinc/82/30/37/1192823037.db2.gz CHQLESYVWBTFCP-GLQYFDAESA-N 0 3 398.454 0.913 20 0 GCADHN CC[C@@H]1CCCCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000410681536 1192824158 /nfs/dbraw/zinc/82/41/58/1192824158.db2.gz GKIMMHXAYLKEGD-SJORKVTESA-N 0 3 378.517 0.933 20 0 GCADHN CC[C@H]1CCCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000410681408 1192824394 /nfs/dbraw/zinc/82/43/94/1192824394.db2.gz IWEWHCNZMHXXJH-KRWDZBQOSA-N 0 3 378.517 0.934 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H](N)c2ccccc2)cc1F ZINC000419176010 1192828888 /nfs/dbraw/zinc/82/88/88/1192828888.db2.gz YBWHRJMOWRQWSY-KRWDZBQOSA-N 0 3 386.427 0.796 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)CCC(F)(F)F ZINC000419200281 1192839570 /nfs/dbraw/zinc/83/95/70/1192839570.db2.gz DZBPVYBXRRDNGE-NEPJUHHUSA-N 0 3 382.427 0.606 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)CCC(F)(F)F ZINC000419200283 1192839736 /nfs/dbraw/zinc/83/97/36/1192839736.db2.gz DZBPVYBXRRDNGE-RYUDHWBXSA-N 0 3 382.427 0.606 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCC(F)(F)C2)CC1 ZINC000512528453 1192840568 /nfs/dbraw/zinc/84/05/68/1192840568.db2.gz GSZGGPIMNZALEM-CQSZACIVSA-N 0 3 386.443 0.305 20 0 GCADHN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000410700550 1192844386 /nfs/dbraw/zinc/84/43/86/1192844386.db2.gz SWWRYMABJBJFSE-GUDVDZBRSA-N 0 3 392.544 0.642 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)OC)c2)CC1 ZINC000473364340 1192877256 /nfs/dbraw/zinc/87/72/56/1192877256.db2.gz DBOKFEXBRMFRKW-CQSZACIVSA-N 0 3 376.457 0.692 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)C(=O)OC)c2)CC1 ZINC000473364339 1192877347 /nfs/dbraw/zinc/87/73/47/1192877347.db2.gz DBOKFEXBRMFRKW-AWEZNQCLSA-N 0 3 376.457 0.692 20 0 GCADHN CCOC(=O)Cn1cc(CN2CCC(C(=O)NC)CC2)c(-c2cnn(C)c2)n1 ZINC000893915260 1192876958 /nfs/dbraw/zinc/87/69/58/1192876958.db2.gz UEHFHERRVSNQEX-UHFFFAOYSA-N 0 3 388.472 0.805 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)[C@@H]3CCOC3)c2)CC1 ZINC000473371277 1192879560 /nfs/dbraw/zinc/87/95/60/1192879560.db2.gz SSLWFGDPOVBSHJ-CRAIPNDOSA-N 0 3 390.484 0.281 20 0 GCADHN CC(C)n1nc2c(c1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)CCC2 ZINC000473365005 1192877425 /nfs/dbraw/zinc/87/74/25/1192877425.db2.gz NZWBWJGNSFHZFI-HNNXBMFYSA-N 0 3 390.532 0.891 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000549796657 1192884472 /nfs/dbraw/zinc/88/44/72/1192884472.db2.gz IBVMRAZRQJVRRU-HZPDHXFCSA-N 0 3 378.517 0.694 20 0 GCADHN CC(C)NC(=O)CN(C)CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000549797031 1192884502 /nfs/dbraw/zinc/88/45/02/1192884502.db2.gz DZTMAOVYNBEGJU-UHFFFAOYSA-N 0 3 389.544 0.507 20 0 GCADHN Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)CN2C[C@H](O)C[C@H](O)C2)cnn1C ZINC000894084607 1192897683 /nfs/dbraw/zinc/89/76/83/1192897683.db2.gz KTFIJOXBYDPAHA-BHYGNILZSA-N 0 3 382.505 0.839 20 0 GCADHN C[C@@H]1CCC[C@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000575238497 1192901812 /nfs/dbraw/zinc/90/18/12/1192901812.db2.gz IFRGODIBAQDZPQ-MSOLQXFVSA-N 0 3 382.549 0.578 20 0 GCADHN C[C@H](O)CN(C(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1)[C@@H](C)CO ZINC000410867410 1192911492 /nfs/dbraw/zinc/91/14/92/1192911492.db2.gz ZKVGVYOKORGUHP-HOTGVXAUSA-N 0 3 385.549 0.936 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)C[C@@H]1O ZINC000663878860 1192918812 /nfs/dbraw/zinc/91/88/12/1192918812.db2.gz MHUOUEFCWKECIC-ROUUACIJSA-N 0 3 389.500 0.042 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000432937501 1192914176 /nfs/dbraw/zinc/91/41/76/1192914176.db2.gz HPZHWXUGOPWUGE-UHFFFAOYSA-N 0 3 394.541 0.677 20 0 GCADHN CCSCC[C@H](C)N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000410932874 1192916844 /nfs/dbraw/zinc/91/68/44/1192916844.db2.gz VJLULZZJPCOCJK-INIZCTEOSA-N 0 3 398.573 0.743 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)[C@H](C)C1 ZINC000410938980 1192917514 /nfs/dbraw/zinc/91/75/14/1192917514.db2.gz QCGTWSDTRQRQBU-IAGOWNOFSA-N 0 3 394.516 0.169 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CCN1 ZINC000419218202 1192918067 /nfs/dbraw/zinc/91/80/67/1192918067.db2.gz RUJBDPZYWVJMNK-ULQDDVLXSA-N 0 3 388.512 0.732 20 0 GCADHN COC[C@H](C)n1ccc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000432966993 1192921021 /nfs/dbraw/zinc/92/10/21/1192921021.db2.gz WCSWWJYVPMSXGQ-GJZGRUSLSA-N 0 3 380.493 1.155 20 0 GCADHN CCN(CCO)CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000274495267 1184077107 /nfs/dbraw/zinc/07/71/07/1184077107.db2.gz CUBKFWNCXUEXFQ-UHFFFAOYSA-N 0 3 383.514 0.905 20 0 GCADHN CCN(CCO)CCNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000274497882 1184077415 /nfs/dbraw/zinc/07/74/15/1184077415.db2.gz DGDOVNDMLXGLFC-UHFFFAOYSA-N 0 3 389.431 0.590 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)OC ZINC000274505278 1184079532 /nfs/dbraw/zinc/07/95/32/1184079532.db2.gz VVCSTSLEAKOLQG-UHFFFAOYSA-N 0 3 383.470 0.781 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@]3(O)CCOC3)c2)CC1 ZINC000274512807 1184082410 /nfs/dbraw/zinc/08/24/10/1184082410.db2.gz LUDFENJQKRVBPC-IBGZPJMESA-N 0 3 376.457 0.035 20 0 GCADHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c(Cl)n1 ZINC000274511012 1184082593 /nfs/dbraw/zinc/08/25/93/1184082593.db2.gz LKYWAPVUZFFQKT-LBPRGKRZSA-N 0 3 383.880 0.824 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1F ZINC000274515994 1184083339 /nfs/dbraw/zinc/08/33/39/1184083339.db2.gz MIXSZZCIVLNFIK-ZDUSSCGKSA-N 0 3 396.463 0.924 20 0 GCADHN COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc2c(c1)CCO2 ZINC000274515713 1184083497 /nfs/dbraw/zinc/08/34/97/1184083497.db2.gz HYNLLGCVERYHQI-YJBOKZPZSA-N 0 3 389.452 0.362 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000274515812 1184083694 /nfs/dbraw/zinc/08/36/94/1184083694.db2.gz XMWOGRWEAXFENP-UHFFFAOYSA-N 0 3 393.412 0.052 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000274519050 1184085171 /nfs/dbraw/zinc/08/51/71/1184085171.db2.gz XZYPEQBZBBMVHU-UHFFFAOYSA-N 0 3 378.429 0.321 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCc1cn2c(n1)SCC2 ZINC000274518848 1184085418 /nfs/dbraw/zinc/08/54/18/1184085418.db2.gz WGLCJZZRONPQTI-OAHLLOKOSA-N 0 3 394.545 0.773 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCCNC(C)=O)c2)CC1 ZINC000274536024 1184090159 /nfs/dbraw/zinc/09/01/59/1184090159.db2.gz QMUUNJYZVOIVMR-UHFFFAOYSA-N 0 3 375.473 0.409 20 0 GCADHN CCN(CCO)CCNC(=O)/C=C/c1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000274538210 1184091434 /nfs/dbraw/zinc/09/14/34/1184091434.db2.gz KCLXHUBGHFGSQW-JXMROGBWSA-N 0 3 383.514 0.817 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1C ZINC000274540537 1184091768 /nfs/dbraw/zinc/09/17/68/1184091768.db2.gz RQOIBETUEIGVPY-OAHLLOKOSA-N 0 3 390.484 0.862 20 0 GCADHN COc1cccc(C(=O)NCCNC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000274538807 1184092236 /nfs/dbraw/zinc/09/22/36/1184092236.db2.gz DICBYWOEKDJEGS-INIZCTEOSA-N 0 3 391.516 0.750 20 0 GCADHN COc1cccc(C(=O)NCCNC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000274538810 1184092322 /nfs/dbraw/zinc/09/23/22/1184092322.db2.gz DICBYWOEKDJEGS-MRXNPFEDSA-N 0 3 391.516 0.750 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000579694017 1184092901 /nfs/dbraw/zinc/09/29/01/1184092901.db2.gz VAPCJFKABVEBHB-FGTMMUONSA-N 0 3 382.549 0.696 20 0 GCADHN CCc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909320215 1184093979 /nfs/dbraw/zinc/09/39/79/1184093979.db2.gz GJGDRXCTOGQAAB-UHFFFAOYSA-N 0 3 395.525 0.984 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000274551050 1184095776 /nfs/dbraw/zinc/09/57/76/1184095776.db2.gz UVKOIJVOJIOYAJ-OAHLLOKOSA-N 0 3 389.500 0.596 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H](Cc1cccc(OC)c1)n1nnnc1C ZINC000274555856 1184098306 /nfs/dbraw/zinc/09/83/06/1184098306.db2.gz NUVJABADUSTQHY-KRWDZBQOSA-N 0 3 376.461 0.204 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000274561417 1184100221 /nfs/dbraw/zinc/10/02/21/1184100221.db2.gz CZPNNVHCHFCJHP-AWEZNQCLSA-N 0 3 382.468 0.932 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccnc1OCC(F)F ZINC000274564911 1184100853 /nfs/dbraw/zinc/10/08/53/1184100853.db2.gz YCBMQPQUFBHLIT-CYBMUJFWSA-N 0 3 399.442 0.806 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCCC(=O)OC)c2)CC1 ZINC000274567064 1184102281 /nfs/dbraw/zinc/10/22/81/1184102281.db2.gz YJFQSBIHCOITLL-UHFFFAOYSA-N 0 3 376.457 0.836 20 0 GCADHN CCN(CCO)CCNC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000274579280 1184109596 /nfs/dbraw/zinc/10/95/96/1184109596.db2.gz SCSKADIOLWBFQC-UHFFFAOYSA-N 0 3 376.501 0.546 20 0 GCADHN CCN(CCO)CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000274598706 1184113624 /nfs/dbraw/zinc/11/36/24/1184113624.db2.gz WMRGCBVWOFQRTK-FQEVSTJZSA-N 0 3 388.468 0.416 20 0 GCADHN CCOCCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000579735360 1184120917 /nfs/dbraw/zinc/12/09/17/1184120917.db2.gz YYLLNNVRJDGZOU-XJKSGUPXSA-N 0 3 383.470 0.034 20 0 GCADHN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579735367 1184120979 /nfs/dbraw/zinc/12/09/79/1184120979.db2.gz ZCAHGIRISSBCOL-KCYZZUKISA-N 0 3 375.473 0.702 20 0 GCADHN CCOCCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000579735359 1184121282 /nfs/dbraw/zinc/12/12/82/1184121282.db2.gz YYLLNNVRJDGZOU-CZUORRHYSA-N 0 3 383.470 0.034 20 0 GCADHN CN1CCC(N(Cc2ccco2)C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000430145588 1184126056 /nfs/dbraw/zinc/12/60/56/1184126056.db2.gz JJYRIVGLASAFNU-UHFFFAOYSA-N 0 3 384.502 0.777 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1 ZINC000616366577 1184138135 /nfs/dbraw/zinc/13/81/35/1184138135.db2.gz QFUSXJXAYGGYHI-INIZCTEOSA-N 0 3 399.499 0.407 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2)n1 ZINC000654805492 1184147150 /nfs/dbraw/zinc/14/71/50/1184147150.db2.gz XXKOLCIPYBMKHH-UHFFFAOYSA-N 0 3 379.848 0.895 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000605243824 1184154254 /nfs/dbraw/zinc/15/42/54/1184154254.db2.gz YAVLRGUDIFCMIS-UHFFFAOYSA-N 0 3 395.485 0.164 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1 ZINC000616374577 1184154728 /nfs/dbraw/zinc/15/47/28/1184154728.db2.gz FHQWXQQAFXQCCW-UHFFFAOYSA-N 0 3 399.499 0.409 20 0 GCADHN Cn1cc(N2CCC[C@@H](N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001020406304 1184155897 /nfs/dbraw/zinc/15/58/97/1184155897.db2.gz QJEVTWYFXRBMOR-MCSCDXIMSA-N 0 3 399.495 0.576 20 0 GCADHN Cn1ccc(N2CCC[C@H](N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001020406312 1184156312 /nfs/dbraw/zinc/15/63/12/1184156312.db2.gz QQETYMUDVHFXGW-JLMATLBDSA-N 0 3 399.495 0.576 20 0 GCADHN Cn1ccc(N2CC[C@H](N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001020408092 1184157355 /nfs/dbraw/zinc/15/73/55/1184157355.db2.gz SJILVKXOKQSHHB-AMAIBGSESA-N 0 3 385.468 0.186 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCN(C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000274657703 1184159189 /nfs/dbraw/zinc/15/91/89/1184159189.db2.gz OUORCKCMEJHLLB-KRWDZBQOSA-N 0 3 375.517 0.287 20 0 GCADHN CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000274670231 1184175643 /nfs/dbraw/zinc/17/56/43/1184175643.db2.gz QZSIJVVOVZRHQQ-OAHLLOKOSA-N 0 3 382.530 0.741 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 ZINC000274712560 1184209838 /nfs/dbraw/zinc/20/98/38/1184209838.db2.gz QQQCAWXGKLZBJE-QZTJIDSGSA-N 0 3 393.484 0.843 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1C[C@H](OC)CN1C(=O)OCc1ccccc1 ZINC000274712563 1184210009 /nfs/dbraw/zinc/21/00/09/1184210009.db2.gz QQQCAWXGKLZBJE-ROUUACIJSA-N 0 3 393.484 0.843 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000890533905 1184212438 /nfs/dbraw/zinc/21/24/38/1184212438.db2.gz WPMYZZGSAOEKDI-OAHLLOKOSA-N 0 3 375.473 0.912 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000654945792 1184217710 /nfs/dbraw/zinc/21/77/10/1184217710.db2.gz FIYDSHWJDRNMPY-LSDHHAIUSA-N 0 3 380.470 0.406 20 0 GCADHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000510069649 1184218234 /nfs/dbraw/zinc/21/82/34/1184218234.db2.gz DOTZZQASGRQHSZ-JTQLQIEISA-N 0 3 399.502 0.001 20 0 GCADHN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1C ZINC000654948271 1184219398 /nfs/dbraw/zinc/21/93/98/1184219398.db2.gz AIOXRHSDSRBYMC-KBPBESRZSA-N 0 3 376.461 0.009 20 0 GCADHN NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000654947783 1184219988 /nfs/dbraw/zinc/21/99/88/1184219988.db2.gz VGJFBOUZYNGELJ-HUUCEWRRSA-N 0 3 398.460 0.545 20 0 GCADHN NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000654949605 1184220590 /nfs/dbraw/zinc/22/05/90/1184220590.db2.gz XJGMRORXXNXTOP-HUUCEWRRSA-N 0 3 380.470 0.406 20 0 GCADHN O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654949525 1184220878 /nfs/dbraw/zinc/22/08/78/1184220878.db2.gz VZBNIHHJOCINIB-NUJGCVRESA-N 0 3 386.452 0.983 20 0 GCADHN O=C(CCN1CCN(C[C@@H]2CCCO2)CC1)N1CCN(c2ccccn2)CC1 ZINC000062361364 1184247280 /nfs/dbraw/zinc/24/72/80/1184247280.db2.gz HAQOIPONBIUTJX-IBGZPJMESA-N 0 3 387.528 0.917 20 0 GCADHN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CC[C@H](CN2CCOCC2)C1 ZINC000172934959 1184261548 /nfs/dbraw/zinc/26/15/48/1184261548.db2.gz DFZUSHKRDCZDID-RTBURBONSA-N 0 3 387.528 0.773 20 0 GCADHN Cc1c(C(=O)N[C@H]2CC(=O)N(C)C2=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000655061013 1184272389 /nfs/dbraw/zinc/27/23/89/1184272389.db2.gz IVAGMSBJIVZAAZ-AWEZNQCLSA-N 0 3 382.424 0.051 20 0 GCADHN Cc1c(C(=O)N[C@@H]2CC(=O)N(C)C2=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000655061014 1184272454 /nfs/dbraw/zinc/27/24/54/1184272454.db2.gz IVAGMSBJIVZAAZ-CQSZACIVSA-N 0 3 382.424 0.051 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000579819218 1184272559 /nfs/dbraw/zinc/27/25/59/1184272559.db2.gz QTVCASXKLSGEPN-UHFFFAOYSA-N 0 3 398.529 0.970 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)C[C@@H]1O ZINC000655093245 1184281631 /nfs/dbraw/zinc/28/16/31/1184281631.db2.gz BPRTVPSZZDOXQF-BZSNNMDCSA-N 0 3 383.448 0.980 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)C2)cc1 ZINC000655093250 1184281973 /nfs/dbraw/zinc/28/19/73/1184281973.db2.gz CNWSLKWWPGRXPO-NJAFHUGGSA-N 0 3 395.525 0.529 20 0 GCADHN CCO[C@H](CN1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C1CC1 ZINC001266288329 1184286684 /nfs/dbraw/zinc/28/66/84/1184286684.db2.gz WADPOILKNHTHBX-FGSPNWDHSA-N 0 3 377.529 0.959 20 0 GCADHN CCO[C@@H](CN1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C1CC1 ZINC001266288338 1184287157 /nfs/dbraw/zinc/28/71/57/1184287157.db2.gz WADPOILKNHTHBX-XUFBONQXSA-N 0 3 377.529 0.959 20 0 GCADHN O=C([C@H]1CNCc2ccccc21)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000579827586 1184302066 /nfs/dbraw/zinc/30/20/66/1184302066.db2.gz MGOGDRZUCAFSAH-SFHVURJKSA-N 0 3 386.477 0.802 20 0 GCADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC000969509387 1184332746 /nfs/dbraw/zinc/33/27/46/1184332746.db2.gz ZQZJKUXXIAFEGG-ANQUJSFKSA-N 0 3 389.500 0.086 20 0 GCADHN Cc1nnc(N(C)CCNS(C)(=O)=O)n1CCN(C)Cc1ccccc1 ZINC001707865743 1184342261 /nfs/dbraw/zinc/34/22/61/1184342261.db2.gz KVMQSBLJEAZSQJ-UHFFFAOYSA-N 0 3 380.518 0.704 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(OCCOC)c2)CC1 ZINC000071012038 1184379509 /nfs/dbraw/zinc/37/95/09/1184379509.db2.gz PAGZZWFFQXRTSV-UHFFFAOYSA-N 0 3 378.473 0.404 20 0 GCADHN CC(=O)N[C@H](CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000579860351 1184379897 /nfs/dbraw/zinc/37/98/97/1184379897.db2.gz DLHCMMOWWUQKNN-ARFHVFGLSA-N 0 3 378.860 0.678 20 0 GCADHN O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCN(C2CCCCC2)CC1 ZINC000154435832 1184396487 /nfs/dbraw/zinc/39/64/87/1184396487.db2.gz XZGGJVCFHXZUJU-UHFFFAOYSA-N 0 3 378.498 0.961 20 0 GCADHN Cc1ccc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1S(N)(=O)=O ZINC000274857540 1184404150 /nfs/dbraw/zinc/40/41/50/1184404150.db2.gz YIRRINLLKFMDFC-AWEZNQCLSA-N 0 3 383.518 0.790 20 0 GCADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000932406823 1184408081 /nfs/dbraw/zinc/40/80/81/1184408081.db2.gz UKADPUOKXAEPHP-IKGGRYGDSA-N 0 3 395.500 0.010 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)CC1=O ZINC000579869810 1184420564 /nfs/dbraw/zinc/42/05/64/1184420564.db2.gz WKLCCNFEZWYONZ-INIZCTEOSA-N 0 3 388.468 0.480 20 0 GCADHN CNC(=O)[C@@]1(C)CCN([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430269357 1184420904 /nfs/dbraw/zinc/42/09/04/1184420904.db2.gz NZNSEFFUHBXXOZ-VLIAUNLRSA-N 0 3 375.469 0.963 20 0 GCADHN O=C(CNC1(CO)CCOCC1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000069247389 1184463312 /nfs/dbraw/zinc/46/33/12/1184463312.db2.gz HRQBAEBVAKFKMI-INIZCTEOSA-N 0 3 388.530 0.466 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(CC(C)C)nn2C)CC1 ZINC000077697565 1184493101 /nfs/dbraw/zinc/49/31/01/1184493101.db2.gz FTIJSBGTXWGHLJ-OAHLLOKOSA-N 0 3 378.521 0.699 20 0 GCADHN Cc1nn(C)c(-n2cccn2)c1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000275084772 1184501900 /nfs/dbraw/zinc/50/19/00/1184501900.db2.gz ACUCSMMLIAAXOQ-HNNXBMFYSA-N 0 3 387.488 0.587 20 0 GCADHN COCCN1C[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1=O ZINC000535632099 1184504367 /nfs/dbraw/zinc/50/43/67/1184504367.db2.gz OEOFKJVTFSPIQF-GUDVDZBRSA-N 0 3 389.496 0.481 20 0 GCADHN COCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@@H](C)N(C)C)ccc21 ZINC000275091031 1184505486 /nfs/dbraw/zinc/50/54/86/1184505486.db2.gz CIFSHSFLOIDXHG-CYBMUJFWSA-N 0 3 376.457 0.617 20 0 GCADHN CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C[C@H]1N1CCCC1 ZINC000275168604 1184540161 /nfs/dbraw/zinc/54/01/61/1184540161.db2.gz WJIPPCCKUQWFNP-HUUCEWRRSA-N 0 3 398.554 0.984 20 0 GCADHN COC(=O)C[C@@](C)(NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccncc1 ZINC000275336956 1184613919 /nfs/dbraw/zinc/61/39/19/1184613919.db2.gz WJCWXCXNMYYVJP-AUUYWEPGSA-N 0 3 376.457 0.386 20 0 GCADHN CN(C)[C@@H]1CCCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C1 ZINC000109806556 1184630383 /nfs/dbraw/zinc/63/03/83/1184630383.db2.gz AXVDDLNICFMREZ-MRXNPFEDSA-N 0 3 399.495 0.386 20 0 GCADHN CN(C)[C@H]1CCCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C1 ZINC000109806553 1184631360 /nfs/dbraw/zinc/63/13/60/1184631360.db2.gz AXVDDLNICFMREZ-INIZCTEOSA-N 0 3 399.495 0.386 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000275379699 1184643305 /nfs/dbraw/zinc/64/33/05/1184643305.db2.gz CYAQHUNDKUPULQ-UHFFFAOYSA-N 0 3 380.420 0.257 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCOCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000748105963 1184643965 /nfs/dbraw/zinc/64/39/65/1184643965.db2.gz FWNSFZLQJAUUQL-QGZVFWFLSA-N 0 3 396.513 0.222 20 0 GCADHN Cc1c(NC(=O)C(=O)N(C)CCN(C)C)cccc1C(=O)N1CCOCC1 ZINC000275387166 1184648945 /nfs/dbraw/zinc/64/89/45/1184648945.db2.gz FPVHIFPWZVCETQ-UHFFFAOYSA-N 0 3 376.457 0.426 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000275396639 1184653222 /nfs/dbraw/zinc/65/32/22/1184653222.db2.gz HRSIDLLLBNSRMD-UHFFFAOYSA-N 0 3 378.454 0.841 20 0 GCADHN Cc1c(NC(=O)C(=O)N(C)CCN(C)C)cccc1S(=O)(=O)NC1CC1 ZINC000275401852 1184653729 /nfs/dbraw/zinc/65/37/29/1184653729.db2.gz IRZMCJYIFKPHRZ-UHFFFAOYSA-N 0 3 382.486 0.394 20 0 GCADHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000275406976 1184656174 /nfs/dbraw/zinc/65/61/74/1184656174.db2.gz CTYPWLWDRWIFCE-LSDHHAIUSA-N 0 3 375.469 0.421 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000275411469 1184657023 /nfs/dbraw/zinc/65/70/23/1184657023.db2.gz KUJSYUZRDHILBD-UHFFFAOYSA-N 0 3 375.473 0.033 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000275422798 1184662278 /nfs/dbraw/zinc/66/22/78/1184662278.db2.gz MRMVUAYTLOQDED-UHFFFAOYSA-N 0 3 376.457 0.646 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CCC1 ZINC000275427483 1184663973 /nfs/dbraw/zinc/66/39/73/1184663973.db2.gz DQMNDTDJKMPOQM-UHFFFAOYSA-N 0 3 381.498 0.922 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1OCC(=O)NC1CC1 ZINC000275442782 1184672162 /nfs/dbraw/zinc/67/21/62/1184672162.db2.gz QTZVEJGUGZTZCP-UHFFFAOYSA-N 0 3 392.456 0.311 20 0 GCADHN Cc1nnc(N(CCS(C)(=O)=O)C2CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001707871159 1184691835 /nfs/dbraw/zinc/69/18/35/1184691835.db2.gz VMCFAPXDCXKMEU-UHFFFAOYSA-N 0 3 398.577 0.626 20 0 GCADHN C[C@H]1CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CCN1CC(C)(C)O ZINC000275525739 1184699308 /nfs/dbraw/zinc/69/93/08/1184699308.db2.gz JTGWVADBSPMTDX-GJZGRUSLSA-N 0 3 375.469 0.421 20 0 GCADHN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCOCC1 ZINC000530627109 1184709327 /nfs/dbraw/zinc/70/93/27/1184709327.db2.gz DHYLXKPYQXBQAG-UHFFFAOYSA-N 0 3 399.488 0.769 20 0 GCADHN CN(C)[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000430426331 1184720544 /nfs/dbraw/zinc/72/05/44/1184720544.db2.gz CCEGDRSSOPELIM-ZDUSSCGKSA-N 0 3 390.469 0.654 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)CC1 ZINC000275579847 1184730425 /nfs/dbraw/zinc/73/04/25/1184730425.db2.gz IUKYSGTYESWFTI-LPHOPBHVSA-N 0 3 391.516 0.819 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000579927957 1184738924 /nfs/dbraw/zinc/73/89/24/1184738924.db2.gz IGBZYMPVBXDGQT-DLBZAZTESA-N 0 3 394.516 0.169 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H]3CCN(C)C3=O)cc2)CC1 ZINC000784963288 1184754196 /nfs/dbraw/zinc/75/41/96/1184754196.db2.gz JCWUFSILQTTYKI-KRWDZBQOSA-N 0 3 387.484 0.456 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C(=O)N1c1cnn(C)c1 ZINC000655625885 1184755425 /nfs/dbraw/zinc/75/54/25/1184755425.db2.gz MSIWHQLKYIQKQX-IJEWVQPXSA-N 0 3 378.477 0.060 20 0 GCADHN CCN1CCN(c2ccc(C(=O)NCCCn3ccc(=O)[nH]c3=O)cc2)CC1 ZINC000890929881 1184774722 /nfs/dbraw/zinc/77/47/22/1184774722.db2.gz JDMOMWQABPIZJH-UHFFFAOYSA-N 0 3 385.468 0.911 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C3CCC2CC3)CC1 ZINC000530865937 1184776206 /nfs/dbraw/zinc/77/62/06/1184776206.db2.gz WZOQASSYJSNQND-UHFFFAOYSA-N 0 3 382.486 0.751 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)N(CCC)[C@@H]2CCN(C)C2)CC1 ZINC000646988691 1184777275 /nfs/dbraw/zinc/77/72/75/1184777275.db2.gz YJBSRJIANQUNET-QGZVFWFLSA-N 0 3 395.548 0.036 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000288131150 1184780734 /nfs/dbraw/zinc/78/07/34/1184780734.db2.gz INYPXYJBLXRUAY-MOPGFXCFSA-N 0 3 388.512 0.729 20 0 GCADHN CCN1CCN(CCNC(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000468038139 1184817740 /nfs/dbraw/zinc/81/77/40/1184817740.db2.gz MKCTZJUZFOXKCW-HNNXBMFYSA-N 0 3 385.505 0.989 20 0 GCADHN CN(C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C1CCN(CCc2ccccn2)CC1 ZINC000471445996 1184844314 /nfs/dbraw/zinc/84/43/14/1184844314.db2.gz ZVUDRFYWULCUBE-QZTJIDSGSA-N 0 3 389.500 0.763 20 0 GCADHN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(CCO)C1CCOCC1 ZINC000275639935 1184849005 /nfs/dbraw/zinc/84/90/05/1184849005.db2.gz WDOCNNBTGRQUBN-SFHVURJKSA-N 0 3 376.453 0.586 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@@H]3CCCN3C)CC2)C1 ZINC000139442148 1184879200 /nfs/dbraw/zinc/87/92/00/1184879200.db2.gz TXQJZGPXFVVFRL-KURKYZTESA-N 0 3 379.549 0.912 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC(CO)(OC)CC1 ZINC000683686136 1184893712 /nfs/dbraw/zinc/89/37/12/1184893712.db2.gz OUGZAHJMLABNMW-UHFFFAOYSA-N 0 3 379.457 0.695 20 0 GCADHN Cc1ccsc1S(=O)(=O)N1C[C@]2(F)CN(CCN(C)C)C(=O)[C@]2(F)C1 ZINC001279218634 1184897026 /nfs/dbraw/zinc/89/70/26/1184897026.db2.gz FULJBDNHWMWKQY-HUUCEWRRSA-N 0 3 393.481 0.881 20 0 GCADHN O=C(NCCN1CCNC1=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000891067367 1184902550 /nfs/dbraw/zinc/90/25/50/1184902550.db2.gz JGFHDTCAGSLBAA-UHFFFAOYSA-N 0 3 375.473 0.338 20 0 GCADHN C[C@H](CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655971122 1184907122 /nfs/dbraw/zinc/90/71/22/1184907122.db2.gz SXOYLUXNRMXEHQ-AIANPOQGSA-N 0 3 379.509 0.581 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCN(c2nccs2)CC1 ZINC000888958453 1184914137 /nfs/dbraw/zinc/91/41/37/1184914137.db2.gz VEAXETROWGJVQT-CYBMUJFWSA-N 0 3 380.518 0.873 20 0 GCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(=O)N(C)C ZINC000275687647 1184929949 /nfs/dbraw/zinc/92/99/49/1184929949.db2.gz LZZGPPVNKFRTKT-INIZCTEOSA-N 0 3 375.473 0.099 20 0 GCADHN COCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1C ZINC000580024515 1184930619 /nfs/dbraw/zinc/93/06/19/1184930619.db2.gz RVXKHXFMDXPYPQ-UHFFFAOYSA-N 0 3 399.517 0.033 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)CC1 ZINC000891101343 1184942395 /nfs/dbraw/zinc/94/23/95/1184942395.db2.gz DEAXRKBOOPLKEJ-ABSDTBQOSA-N 0 3 396.532 0.909 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000275704923 1184945930 /nfs/dbraw/zinc/94/59/30/1184945930.db2.gz LGQSZXAOGLIDPW-HNNXBMFYSA-N 0 3 394.497 0.749 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1O ZINC000970700547 1184973745 /nfs/dbraw/zinc/97/37/45/1184973745.db2.gz UFGSKVMLUARODY-ZSGPHXLJSA-N 0 3 375.469 0.475 20 0 GCADHN CCN1CCN(CCC(=O)N2CCC(CN=[S@@](C)(=O)N(C)C)CC2)CC1 ZINC000891146046 1184986939 /nfs/dbraw/zinc/98/69/39/1184986939.db2.gz VMSPCMBGYWJGGH-AREMUKBSSA-N 0 3 387.594 0.827 20 0 GCADHN COCCN1CC[C@H](NC(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)C1 ZINC001670499944 1184990915 /nfs/dbraw/zinc/99/09/15/1184990915.db2.gz ASDHTGLPCWCDEL-HNNXBMFYSA-N 0 3 377.445 0.134 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@H](Sc2nnnn2CCN(C)C)C(C)C)CC1 ZINC000412995964 1185007015 /nfs/dbraw/zinc/00/70/15/1185007015.db2.gz TVPNDGOMSRTGLP-CQSZACIVSA-N 0 3 383.522 0.042 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCC(Oc2ncc(C)cn2)CC1 ZINC000656070016 1185007589 /nfs/dbraw/zinc/00/75/89/1185007589.db2.gz WVEUMUUUTUDPOR-UHFFFAOYSA-N 0 3 393.488 0.191 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2OC)CC1 ZINC000275749914 1185012901 /nfs/dbraw/zinc/01/29/01/1185012901.db2.gz XNOGDTHWUAZQME-UHFFFAOYSA-N 0 3 393.440 0.647 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275755346 1185027161 /nfs/dbraw/zinc/02/71/61/1185027161.db2.gz ZAIWZZHOGLGNNB-UHFFFAOYSA-N 0 3 387.415 0.849 20 0 GCADHN CN(C)CCn1nccc1NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001670516905 1185031132 /nfs/dbraw/zinc/03/11/32/1185031132.db2.gz HCWAFCZIWBAKGP-CABCVRRESA-N 0 3 399.517 0.645 20 0 GCADHN COc1ncc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1C(N)=O ZINC000275763169 1185035727 /nfs/dbraw/zinc/03/57/27/1185035727.db2.gz VCXQPLCJRPTFCW-CQSZACIVSA-N 0 3 389.456 0.605 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1ncoc1-c1ccccc1)CN1CCN(C)CC1 ZINC000580104296 1185064452 /nfs/dbraw/zinc/06/44/52/1185064452.db2.gz KWAADOFGEVJAEQ-INIZCTEOSA-N 0 3 399.495 0.958 20 0 GCADHN COc1ccccc1OCCCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000642782934 1185068619 /nfs/dbraw/zinc/06/86/19/1185068619.db2.gz HACXYOBSWPLZLB-KGLIPLIRSA-N 0 3 379.457 0.810 20 0 GCADHN CN(C)Cc1ccccc1CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000046583019 1185095224 /nfs/dbraw/zinc/09/52/24/1185095224.db2.gz OPWAMKRDOAABPS-UHFFFAOYSA-N 0 3 381.436 0.624 20 0 GCADHN CN(C)Cc1cccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H](O)C2)c1 ZINC000970848663 1185096801 /nfs/dbraw/zinc/09/68/01/1185096801.db2.gz OUSPFFUFYINKOI-QQXKLLMISA-N 0 3 387.480 0.617 20 0 GCADHN Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCN1CC=CCC1 ZINC001707879830 1185111883 /nfs/dbraw/zinc/11/18/83/1185111883.db2.gz SWNGDFVLFYOMOI-IBGZPJMESA-N 0 3 387.488 0.663 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000255356646 1185149972 /nfs/dbraw/zinc/14/99/72/1185149972.db2.gz YGJBSSCZOMLYBP-IRXDYDNUSA-N 0 3 388.578 0.580 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCNC(=O)[C@@H]3C)cc2)CC1 ZINC000275821587 1185152365 /nfs/dbraw/zinc/15/23/65/1185152365.db2.gz FOGPPGGLKVATMC-HNNXBMFYSA-N 0 3 387.484 0.110 20 0 GCADHN CCOC(=O)[C@@]1(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCc2ccccc21 ZINC000610427809 1185171391 /nfs/dbraw/zinc/17/13/91/1185171391.db2.gz DSDBEVOCYQWWAM-HRAATJIYSA-N 0 3 387.480 0.918 20 0 GCADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655352423 1185179218 /nfs/dbraw/zinc/17/92/18/1185179218.db2.gz ZFEXSLLTRXIGJA-CLCXKQKWSA-N 0 3 392.500 0.735 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000580346405 1185183333 /nfs/dbraw/zinc/18/33/33/1185183333.db2.gz HHBQWOPDXFKGGN-VXGBXAGGSA-N 0 3 392.422 0.502 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1C ZINC000275864263 1185191278 /nfs/dbraw/zinc/19/12/78/1185191278.db2.gz DALAMFRJMMKDII-UHFFFAOYSA-N 0 3 382.486 0.442 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4nc(C5CC5)sc4c3)CCN2C1=O ZINC000580451376 1185234398 /nfs/dbraw/zinc/23/43/98/1185234398.db2.gz FBAWBURTCQSVFI-STQMWFEESA-N 0 3 399.476 0.883 20 0 GCADHN CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(CN(C)C)cc3)CCN2C1=O ZINC000683945155 1185240685 /nfs/dbraw/zinc/24/06/85/1185240685.db2.gz GNTPPSZAOQAEKH-HNNXBMFYSA-N 0 3 380.470 0.405 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000683945202 1185240784 /nfs/dbraw/zinc/24/07/84/1185240784.db2.gz IFIWUCRDYXAQDP-KSSFIOAISA-N 0 3 394.497 0.747 20 0 GCADHN Cc1ncc2c(n1)CCN(C(=O)C(=O)NCC1(N(C)C)Cc3ccccc3C1)C2 ZINC000580469565 1185241205 /nfs/dbraw/zinc/24/12/05/1185241205.db2.gz VKVAMWDQTYKBNE-UHFFFAOYSA-N 0 3 393.491 0.885 20 0 GCADHN Cc1nnc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)CCO2)[nH]1 ZINC000580525613 1185262355 /nfs/dbraw/zinc/26/23/55/1185262355.db2.gz LTSUFWKCNIYODK-CABCVRRESA-N 0 3 376.461 0.100 20 0 GCADHN O=C(NCCc1nnc2n1CCCCC2)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000580586746 1185282270 /nfs/dbraw/zinc/28/22/70/1185282270.db2.gz OEOSIDCROAHJOS-INIZCTEOSA-N 0 3 388.516 0.750 20 0 GCADHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000580651174 1185296871 /nfs/dbraw/zinc/29/68/71/1185296871.db2.gz MZEQCNCAMJTLRS-HOCLYGCPSA-N 0 3 384.502 0.631 20 0 GCADHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000580651172 1185297142 /nfs/dbraw/zinc/29/71/42/1185297142.db2.gz MZEQCNCAMJTLRS-GDBMZVCRSA-N 0 3 384.502 0.631 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(F)c1 ZINC000580660778 1185302475 /nfs/dbraw/zinc/30/24/75/1185302475.db2.gz VDLCVVBZRVWOPD-SMDDNHRTSA-N 0 3 378.404 0.322 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000275932319 1185310645 /nfs/dbraw/zinc/31/06/45/1185310645.db2.gz ADNFUIKGLNKBBH-ZDUSSCGKSA-N 0 3 394.497 0.608 20 0 GCADHN C[C@H](CNC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000610461150 1185335397 /nfs/dbraw/zinc/33/53/97/1185335397.db2.gz LCJDAVZGVFKUSD-HZPDHXFCSA-N 0 3 384.521 0.622 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000656289902 1185340012 /nfs/dbraw/zinc/34/00/12/1185340012.db2.gz UYFUUUBJKULLKR-IAGOWNOFSA-N 0 3 393.509 0.839 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000656289901 1185340375 /nfs/dbraw/zinc/34/03/75/1185340375.db2.gz UYFUUUBJKULLKR-DLBZAZTESA-N 0 3 393.509 0.839 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000656297105 1185357547 /nfs/dbraw/zinc/35/75/47/1185357547.db2.gz SXPNGAAKFPRINA-IRXDYDNUSA-N 0 3 390.484 0.856 20 0 GCADHN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580785004 1185360178 /nfs/dbraw/zinc/36/01/78/1185360178.db2.gz LBTLBUJPWHASFU-HOTGVXAUSA-N 0 3 390.484 0.296 20 0 GCADHN COCCN(CCOC)S(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000375633855 1185364247 /nfs/dbraw/zinc/36/42/47/1185364247.db2.gz DIDPSVAKYOTIRF-SFHVURJKSA-N 0 3 385.530 0.938 20 0 GCADHN O=C(C[C@@H]1CNCCO1)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000430514509 1185365025 /nfs/dbraw/zinc/36/50/25/1185365025.db2.gz KNBSUWLZAZHASK-QAPCUYQASA-N 0 3 389.452 0.312 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2Cc3ccc(OC)cc3C2)CC1 ZINC000656300235 1185365650 /nfs/dbraw/zinc/36/56/50/1185365650.db2.gz MOUMCLXYVCDNPT-MRXNPFEDSA-N 0 3 388.512 0.927 20 0 GCADHN COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)COC1CNC1)CC2 ZINC000430517630 1185372778 /nfs/dbraw/zinc/37/27/78/1185372778.db2.gz GCUWSNIFBOKYLZ-UHFFFAOYSA-N 0 3 391.468 0.473 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656304992 1185378128 /nfs/dbraw/zinc/37/81/28/1185378128.db2.gz MPIAWLZELQFNNU-MCIONIFRSA-N 0 3 376.423 0.872 20 0 GCADHN Cc1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc(S(=O)(=O)N(C)C)c1C ZINC000580849228 1185395449 /nfs/dbraw/zinc/39/54/49/1185395449.db2.gz DOIUKQYZHNBRHZ-IBGZPJMESA-N 0 3 395.525 0.740 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000656316405 1185404071 /nfs/dbraw/zinc/40/40/71/1185404071.db2.gz RNKCDXHTVSOWFW-MANSERQUSA-N 0 3 392.544 0.879 20 0 GCADHN CN(C)c1nc(C(=O)N(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc(=O)[n-]1 ZINC000580894925 1185406538 /nfs/dbraw/zinc/40/65/38/1185406538.db2.gz RLUDGUNSIHUEJU-AWEZNQCLSA-N 0 3 385.472 0.766 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656325092 1185415120 /nfs/dbraw/zinc/41/51/20/1185415120.db2.gz IJUCCRTWRCJASP-LUKYLMHMSA-N 0 3 383.489 0.056 20 0 GCADHN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650300737 1185427458 /nfs/dbraw/zinc/42/74/58/1185427458.db2.gz OFLOTMWRWVJIIH-GOSISDBHSA-N 0 3 392.475 0.813 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656332496 1185429519 /nfs/dbraw/zinc/42/95/19/1185429519.db2.gz XNUIANBQYQQYNJ-DLBZAZTESA-N 0 3 394.516 0.263 20 0 GCADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656336110 1185431051 /nfs/dbraw/zinc/43/10/51/1185431051.db2.gz VIVALVXFTYFDFK-CVEARBPZSA-N 0 3 377.489 0.740 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656342943 1185438767 /nfs/dbraw/zinc/43/87/67/1185438767.db2.gz IIUXQASCKWODPN-ZKXLYKBJSA-N 0 3 382.549 0.979 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656342941 1185438912 /nfs/dbraw/zinc/43/89/12/1185438912.db2.gz IIUXQASCKWODPN-IECFSIQFSA-N 0 3 382.549 0.979 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000580966302 1185451580 /nfs/dbraw/zinc/45/15/80/1185451580.db2.gz QDTTZNOQQZBCJT-INIZCTEOSA-N 0 3 378.517 0.740 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nnn1-c1ccc2ncccc2c1 ZINC000580964161 1185451782 /nfs/dbraw/zinc/45/17/82/1185451782.db2.gz YOIAXONHSKSKQX-HOTGVXAUSA-N 0 3 391.435 0.508 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000656356157 1185451927 /nfs/dbraw/zinc/45/19/27/1185451927.db2.gz RFRWQOHPCRDQHZ-KZNAEPCWSA-N 0 3 378.517 0.443 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000656356181 1185454344 /nfs/dbraw/zinc/45/43/44/1185454344.db2.gz RKZGEDXQMJRABG-RBUKOAKNSA-N 0 3 385.512 0.859 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000656356203 1185454912 /nfs/dbraw/zinc/45/49/12/1185454912.db2.gz RNTPPYHVJJVNEV-MOPGFXCFSA-N 0 3 392.544 0.690 20 0 GCADHN Cc1nccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)n1 ZINC000656357018 1185455378 /nfs/dbraw/zinc/45/53/78/1185455378.db2.gz XYRMZECZUYXHOK-SJORKVTESA-N 0 3 386.500 0.567 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356460 1185457308 /nfs/dbraw/zinc/45/73/08/1185457308.db2.gz DMTIKFPNOMEVQD-UHOSZYNNSA-N 0 3 392.544 0.831 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000656356876 1185457717 /nfs/dbraw/zinc/45/77/17/1185457717.db2.gz HUZHPNAHEBGSSR-FHWLQOOXSA-N 0 3 392.544 0.690 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000656358169 1185458609 /nfs/dbraw/zinc/45/86/09/1185458609.db2.gz IYWNXZVQLSWXJZ-SJORKVTESA-N 0 3 391.541 0.920 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000656356373 1185459126 /nfs/dbraw/zinc/45/91/26/1185459126.db2.gz STBLKTYLCXFQPO-ROUUACIJSA-N 0 3 384.480 0.995 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000656359176 1185461528 /nfs/dbraw/zinc/46/15/28/1185461528.db2.gz WTBFOJTYEFXYDA-NEPJUHHUSA-N 0 3 376.379 0.310 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC2(CCOCC2)O1 ZINC000656358471 1185462239 /nfs/dbraw/zinc/46/22/39/1185462239.db2.gz RHZXJZDYNZRJQJ-IXDOHACOSA-N 0 3 379.501 0.916 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccnc2)CC1 ZINC000580997622 1185465611 /nfs/dbraw/zinc/46/56/11/1185465611.db2.gz FBPBHOHXNUVWPR-MSOLQXFVSA-N 0 3 399.495 0.510 20 0 GCADHN CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000581029842 1185472101 /nfs/dbraw/zinc/47/21/01/1185472101.db2.gz TWTJBZHDVSVHGP-HOTGVXAUSA-N 0 3 385.505 0.302 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000581036478 1185474259 /nfs/dbraw/zinc/47/42/59/1185474259.db2.gz LKCFQRQZILSRGG-FOIQADDNSA-N 0 3 396.532 0.319 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000581066911 1185482602 /nfs/dbraw/zinc/48/26/02/1185482602.db2.gz ZWGJOSLTOOLDPS-ULQDDVLXSA-N 0 3 385.530 0.333 20 0 GCADHN Cc1c(C)c(C)c(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C)c1C ZINC000581082403 1185487847 /nfs/dbraw/zinc/48/78/47/1185487847.db2.gz JZMNWTSBHMZGHC-AEFFLSMTSA-N 0 3 386.496 0.615 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)cc1S(N)(=O)=O ZINC000581082737 1185489337 /nfs/dbraw/zinc/48/93/37/1185489337.db2.gz MXQSEUOTXGHSFU-AWEZNQCLSA-N 0 3 396.513 0.818 20 0 GCADHN CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000581125328 1185504636 /nfs/dbraw/zinc/50/46/36/1185504636.db2.gz MSKNQPCAQHFUQO-RCCFBDPRSA-N 0 3 380.533 0.687 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC000581125588 1185504722 /nfs/dbraw/zinc/50/47/22/1185504722.db2.gz SYBWWKPVEAILMX-CYBMUJFWSA-N 0 3 384.427 0.809 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000581139809 1185510673 /nfs/dbraw/zinc/51/06/73/1185510673.db2.gz HPKXEVWCYFJDCX-HNNXBMFYSA-N 0 3 385.468 0.547 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000581176636 1185523329 /nfs/dbraw/zinc/52/33/29/1185523329.db2.gz VJDQLPOXZHGRNI-ZACQAIPSSA-N 0 3 386.452 0.192 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000581228998 1185544124 /nfs/dbraw/zinc/54/41/24/1185544124.db2.gz JBRFUBJSXNGITP-UHFFFAOYSA-N 0 3 391.497 0.337 20 0 GCADHN CCN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C[C@@H]1c1ncc[nH]1 ZINC000581251316 1185557279 /nfs/dbraw/zinc/55/72/79/1185557279.db2.gz MMYPMBUSKAKIJP-QZTJIDSGSA-N 0 3 396.495 0.700 20 0 GCADHN CC(C)(C)O[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@@H]1n1cccn1 ZINC000581261639 1185561126 /nfs/dbraw/zinc/56/11/26/1185561126.db2.gz MNHQTIMGICICAY-NPJQDHAYSA-N 0 3 390.488 0.334 20 0 GCADHN CC[C@]1(C)CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000276089033 1185562133 /nfs/dbraw/zinc/56/21/33/1185562133.db2.gz UAQYNNDFXRVHRM-GOSISDBHSA-N 0 3 383.514 0.884 20 0 GCADHN Cn1ccc(=O)n(CCCNC(=O)CCN2CCN(c3ccccc3)CC2)c1=O ZINC000684182182 1185564662 /nfs/dbraw/zinc/56/46/62/1185564662.db2.gz YAXMJCWJRLFQST-UHFFFAOYSA-N 0 3 399.495 0.266 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1F ZINC000276101837 1185572517 /nfs/dbraw/zinc/57/25/17/1185572517.db2.gz YQQTUKVKOBAHJO-UHFFFAOYSA-N 0 3 396.463 0.877 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN(C[C@H]3CNc4ccnn4C3)CC2)cc1 ZINC000684195212 1185590375 /nfs/dbraw/zinc/59/03/75/1185590375.db2.gz MWJLHYVKYABOIP-CQSZACIVSA-N 0 3 376.486 0.394 20 0 GCADHN O=C(NCCN1CCCC1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000656494215 1185608807 /nfs/dbraw/zinc/60/88/07/1185608807.db2.gz YQBYGVQWOYKCAX-INIZCTEOSA-N 0 3 381.498 0.970 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CCNCc1nnnn1C1CC1 ZINC001104346714 1185618444 /nfs/dbraw/zinc/61/84/44/1185618444.db2.gz HVQHIIFLDBLCKH-KCYZZUKISA-N 0 3 391.520 0.301 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)N1CCOCC1 ZINC000581383650 1185628893 /nfs/dbraw/zinc/62/88/93/1185628893.db2.gz QCEPEWLVHLFRCX-QZTJIDSGSA-N 0 3 380.533 0.546 20 0 GCADHN COc1cccc(CCNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000668466030 1185650924 /nfs/dbraw/zinc/65/09/24/1185650924.db2.gz NZEXNEQGXXUUOD-QGZVFWFLSA-N 0 3 375.469 0.723 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)[C@@H]1CO ZINC000276181383 1185662902 /nfs/dbraw/zinc/66/29/02/1185662902.db2.gz RNHHLZGAAHLZHP-IUODEOHRSA-N 0 3 390.440 0.324 20 0 GCADHN CC(=O)N1CCC(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000581420542 1185668619 /nfs/dbraw/zinc/66/86/19/1185668619.db2.gz GQNKTZBKVJZFKE-SFHVURJKSA-N 0 3 378.517 0.838 20 0 GCADHN CC(=O)N1CCC(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000581420541 1185668858 /nfs/dbraw/zinc/66/88/58/1185668858.db2.gz GQNKTZBKVJZFKE-GOSISDBHSA-N 0 3 378.517 0.838 20 0 GCADHN CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000066222679 1185671860 /nfs/dbraw/zinc/67/18/60/1185671860.db2.gz ZSHSBZCMHNESOG-MRXNPFEDSA-N 0 3 379.482 0.866 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H]1CO ZINC000276205716 1185682200 /nfs/dbraw/zinc/68/22/00/1185682200.db2.gz OEHGQYNQNJOZLA-NVXWUHKLSA-N 0 3 381.498 0.222 20 0 GCADHN COC(=O)c1ccc(N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)C2)cc1 ZINC000581430260 1185689537 /nfs/dbraw/zinc/68/95/37/1185689537.db2.gz TYHIKKCWKXBYGV-KSSFIOAISA-N 0 3 390.484 0.610 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccc(Cl)c1Cl ZINC000581440468 1185691979 /nfs/dbraw/zinc/69/19/79/1185691979.db2.gz HOZMDJSYBXHNCO-KWBADKCTSA-N 0 3 399.278 0.941 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000684271987 1185711595 /nfs/dbraw/zinc/71/15/95/1185711595.db2.gz YKZXCYAHLLRGGF-OCCSQVGLSA-N 0 3 376.423 0.811 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(C(=O)OC)c(C)cc2C)CC1 ZINC000276285139 1185719550 /nfs/dbraw/zinc/71/95/50/1185719550.db2.gz IKSZHKZLSSDZIU-UHFFFAOYSA-N 0 3 390.484 0.782 20 0 GCADHN COCCn1cc(C(=O)NCC(=O)NCCN2CCCCCC2)c(=O)cc1C ZINC000581494087 1185725276 /nfs/dbraw/zinc/72/52/76/1185725276.db2.gz VIVRINUFWDSBPI-UHFFFAOYSA-N 0 3 392.500 0.525 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)c2)CC1 ZINC000276313103 1185728978 /nfs/dbraw/zinc/72/89/78/1185728978.db2.gz NMWYPSQDIVLSSN-CVEARBPZSA-N 0 3 392.500 0.357 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000581500481 1185730529 /nfs/dbraw/zinc/73/05/29/1185730529.db2.gz UMMRQZZPZQDPBU-SJORKVTESA-N 0 3 384.480 0.385 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)C3CCOCC3)C2)CC1 ZINC000581507787 1185732142 /nfs/dbraw/zinc/73/21/42/1185732142.db2.gz XDVDGRIQSNCUPI-WMZOPIPTSA-N 0 3 380.533 0.545 20 0 GCADHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3nnnn3CCOCC(F)(F)F)[C@H]2C1 ZINC000581511839 1185733592 /nfs/dbraw/zinc/73/35/92/1185733592.db2.gz FFKXOORSSKIIMJ-IHRRRGAJSA-N 0 3 390.410 0.989 20 0 GCADHN CCOC(=O)c1csc(CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 ZINC000276338324 1185743973 /nfs/dbraw/zinc/74/39/73/1185743973.db2.gz LYTJYDYCUFXFPZ-LBPRGKRZSA-N 0 3 382.486 0.389 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000581527375 1185745310 /nfs/dbraw/zinc/74/53/10/1185745310.db2.gz HCIOXAJMBNIGCW-OAHLLOKOSA-N 0 3 390.550 0.122 20 0 GCADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000276344272 1185746708 /nfs/dbraw/zinc/74/67/08/1185746708.db2.gz IZOUKSMEYOJKBQ-UHFFFAOYSA-N 0 3 397.479 0.927 20 0 GCADHN COc1cc(NC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)cc(OC)c1 ZINC000430611263 1185762318 /nfs/dbraw/zinc/76/23/18/1185762318.db2.gz NZBYDBKQNJUIKG-OAHLLOKOSA-N 0 3 390.484 0.786 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CCC(n3cc(C(N)=O)nn3)CC2)n1 ZINC000624539183 1185765124 /nfs/dbraw/zinc/76/51/24/1185765124.db2.gz QFLIODKFSZTJHH-UHFFFAOYSA-N 0 3 388.480 0.468 20 0 GCADHN Cc1ccc(CNC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1F ZINC000430614062 1185768199 /nfs/dbraw/zinc/76/81/99/1185768199.db2.gz XQMVKSOYDFLFEJ-QGZVFWFLSA-N 0 3 376.476 0.894 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)(C)C)cc2)CC1 ZINC000785049155 1185772354 /nfs/dbraw/zinc/77/23/54/1185772354.db2.gz RPCWXHBWOFNVAK-MRXNPFEDSA-N 0 3 389.500 0.783 20 0 GCADHN CC(C)N(CC(F)(F)F)C(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430616799 1185784188 /nfs/dbraw/zinc/78/41/88/1185784188.db2.gz HXEUBVBQQGCECQ-AWEZNQCLSA-N 0 3 378.439 0.930 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)CC1 ZINC000246502638 1185785487 /nfs/dbraw/zinc/78/54/87/1185785487.db2.gz HQVQKVWNMWGKHM-QILLFSRXSA-N 0 3 376.501 0.541 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NCCc1c(F)cccc1F ZINC000430620522 1185796733 /nfs/dbraw/zinc/79/67/33/1185796733.db2.gz IEDUGJUKOSEZSI-OAHLLOKOSA-N 0 3 394.466 0.767 20 0 GCADHN CN(CCNCC(=O)N1CCOC[C@H]1C1CC1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001266779849 1185809062 /nfs/dbraw/zinc/80/90/62/1185809062.db2.gz VVRSKKFYDYHDJT-LSTDLKDCSA-N 0 3 379.501 0.487 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)C2)nn1 ZINC000581666759 1185825673 /nfs/dbraw/zinc/82/56/73/1185825673.db2.gz YPSZAKWVNYBXES-CQSZACIVSA-N 0 3 397.439 0.406 20 0 GCADHN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cc12 ZINC000581676038 1185834554 /nfs/dbraw/zinc/83/45/54/1185834554.db2.gz LQLJZGFVPBOLLF-DRZSPHRISA-N 0 3 379.486 0.195 20 0 GCADHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430641347 1185849861 /nfs/dbraw/zinc/84/98/61/1185849861.db2.gz SJECBNUCJOZRJN-JKSUJKDBSA-N 0 3 376.505 0.508 20 0 GCADHN O=C(CNC1([C@@H]2CCCCO2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000933377117 1185854448 /nfs/dbraw/zinc/85/44/48/1185854448.db2.gz DVACMGMMUOLRJU-HOTGVXAUSA-N 0 3 385.530 0.009 20 0 GCADHN O=C(CNC1([C@H]2CCCCO2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000933377119 1185854644 /nfs/dbraw/zinc/85/46/44/1185854644.db2.gz DVACMGMMUOLRJU-JKSUJKDBSA-N 0 3 385.530 0.009 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NCC1(c2ccccc2)CC1 ZINC000430646132 1185862112 /nfs/dbraw/zinc/86/21/12/1185862112.db2.gz DJPLISDQZVJXOU-SFHVURJKSA-N 0 3 384.524 0.978 20 0 GCADHN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000581716499 1185863143 /nfs/dbraw/zinc/86/31/43/1185863143.db2.gz XLPORBRHVSVVOC-PBHICJAKSA-N 0 3 394.903 0.698 20 0 GCADHN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000581716500 1185863313 /nfs/dbraw/zinc/86/33/13/1185863313.db2.gz XLPORBRHVSVVOC-RHSMWYFYSA-N 0 3 394.903 0.698 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H](CO)COC(C)C ZINC001211518069 1185866498 /nfs/dbraw/zinc/86/64/98/1185866498.db2.gz HOTPEDNZSKOANW-QWRGUYRKSA-N 0 3 379.397 0.918 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H](CO)COC(C)C ZINC001211518068 1185866779 /nfs/dbraw/zinc/86/67/79/1185866779.db2.gz HOTPEDNZSKOANW-MNOVXSKESA-N 0 3 379.397 0.918 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000656890038 1185870328 /nfs/dbraw/zinc/87/03/28/1185870328.db2.gz DPRVWJCFENFCLH-KZNAEPCWSA-N 0 3 391.578 0.716 20 0 GCADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000933391777 1185870507 /nfs/dbraw/zinc/87/05/07/1185870507.db2.gz GSTYRRGAWRSSBL-HZPDHXFCSA-N 0 3 385.472 0.301 20 0 GCADHN CO[C@@H](C)CCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000559025894 1185872734 /nfs/dbraw/zinc/87/27/34/1185872734.db2.gz IFPMJTDDMKJNHV-AWEZNQCLSA-N 0 3 390.484 0.864 20 0 GCADHN CS(=O)(=O)c1cccc(OCCN2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000430651128 1185872834 /nfs/dbraw/zinc/87/28/34/1185872834.db2.gz VRGIZSWIOUYPPZ-MRXNPFEDSA-N 0 3 395.525 0.613 20 0 GCADHN CN(C)CCN(Cc1ccccc1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000079292810 1185873795 /nfs/dbraw/zinc/87/37/95/1185873795.db2.gz NKTKDPPHFDVHTK-UHFFFAOYSA-N 0 3 398.467 0.024 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NC(=O)NCc1cccs1 ZINC000430656027 1185882506 /nfs/dbraw/zinc/88/25/06/1185882506.db2.gz SRTQTEDZCGYZKK-CQSZACIVSA-N 0 3 393.513 0.218 20 0 GCADHN CCCN1CCN(c2cc(C(N)=O)nc(N3CCN(CCC)CC3)n2)CC1 ZINC000891479683 1185887270 /nfs/dbraw/zinc/88/72/70/1185887270.db2.gz LZQCPXFDMUEMTO-UHFFFAOYSA-N 0 3 375.521 0.640 20 0 GCADHN CNc1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)n1 ZINC000471708758 1185899174 /nfs/dbraw/zinc/89/91/74/1185899174.db2.gz GXLDAHUWIGUPEN-NEMWNAMBSA-N 0 3 388.516 0.918 20 0 GCADHN COc1ccc([C@H]2CNCCN2C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000891529244 1185906595 /nfs/dbraw/zinc/90/65/95/1185906595.db2.gz VONNPHYMWVCBST-QFBILLFUSA-N 0 3 375.517 0.987 20 0 GCADHN CSc1ccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2=O)cc1 ZINC000581836021 1185907155 /nfs/dbraw/zinc/90/71/55/1185907155.db2.gz QSXBJJSLFJKZKI-XPKDYRNWSA-N 0 3 388.493 0.532 20 0 GCADHN CN(C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCCC1)Cc1ccccc1 ZINC000891535536 1185908961 /nfs/dbraw/zinc/90/89/61/1185908961.db2.gz UFXDJDPCZIFCDQ-KRWDZBQOSA-N 0 3 382.530 0.884 20 0 GCADHN O=C(CN1CCNC(=O)C1)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000051261110 1185920874 /nfs/dbraw/zinc/92/08/74/1185920874.db2.gz GKWVGWMSNVLMGN-UHFFFAOYSA-N 0 3 387.528 0.132 20 0 GCADHN COc1cccc(CNC(=O)CNCCN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001266841281 1185935737 /nfs/dbraw/zinc/93/57/37/1185935737.db2.gz SICVBFYRNKNEMS-KURKYZTESA-N 0 3 375.469 0.927 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCc2ccccc2F)CC1 ZINC000656939335 1185947378 /nfs/dbraw/zinc/94/73/78/1185947378.db2.gz UUNGXTGPLZULTB-KRWDZBQOSA-N 0 3 383.489 0.936 20 0 GCADHN Nc1ccc(F)c(NC(=O)CCN2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000083170704 1185950749 /nfs/dbraw/zinc/95/07/49/1185950749.db2.gz LBCYRBYJAZLMSU-UHFFFAOYSA-N 0 3 377.464 0.977 20 0 GCADHN CCOc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1OCC(=O)OC ZINC000581895527 1185954358 /nfs/dbraw/zinc/95/43/58/1185954358.db2.gz HZMQKFONYNGEEW-KBPBESRZSA-N 0 3 391.424 0.021 20 0 GCADHN Cc1c(C(=O)Nc2ccc(=O)n(C)n2)nnn1-c1cccc2c1CCN(C)C2 ZINC000891645877 1185956797 /nfs/dbraw/zinc/95/67/97/1185956797.db2.gz HGNPPGSXJRSFRQ-UHFFFAOYSA-N 0 3 379.424 0.910 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)CCN2C1=O ZINC000581895628 1185957636 /nfs/dbraw/zinc/95/76/36/1185957636.db2.gz KUAJLCMECROWFE-KZNAEPCWSA-N 0 3 384.480 0.238 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](CO)CC1 ZINC000293285389 1185959656 /nfs/dbraw/zinc/95/96/56/1185959656.db2.gz VOYQDMLNKBQATI-GDBMZVCRSA-N 0 3 383.514 0.476 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2cnc(N(C)C)n2C)CC1 ZINC000083738690 1185961697 /nfs/dbraw/zinc/96/16/97/1185961697.db2.gz ZFVVMXDYPZJLBJ-UHFFFAOYSA-N 0 3 379.509 0.182 20 0 GCADHN O=C(NCc1ccc(N2CCOCC2)nc1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000891696646 1185981692 /nfs/dbraw/zinc/98/16/92/1185981692.db2.gz UTSHSQKLLMTEHQ-ZWKOTPCHSA-N 0 3 389.500 0.659 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCCCCc3ccc(F)cc3)CCN2C1=O ZINC000581955322 1186005962 /nfs/dbraw/zinc/00/59/62/1186005962.db2.gz ALJVFFGLCGUOCS-IAGOWNOFSA-N 0 3 390.459 0.425 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCCCCc3ccc(F)cc3)CCN2C1=O ZINC000581955324 1186006434 /nfs/dbraw/zinc/00/64/34/1186006434.db2.gz ALJVFFGLCGUOCS-SJORKVTESA-N 0 3 390.459 0.425 20 0 GCADHN Cn1c2ccc(CNCCC(=O)N3CCN(c4ncccn4)CC3)cc2oc1=O ZINC000510522441 1186023218 /nfs/dbraw/zinc/02/32/18/1186023218.db2.gz HRHISAVRUJLYQV-UHFFFAOYSA-N 0 3 396.451 0.750 20 0 GCADHN CCO[C@@H](C)c1noc(CN2CCN(C(=O)CNC[C@H]3CCCO3)CC2)n1 ZINC000430786991 1186029364 /nfs/dbraw/zinc/02/93/64/1186029364.db2.gz DXZPNHMRXLKLND-LSDHHAIUSA-N 0 3 381.477 0.580 20 0 GCADHN O=C(CNC(=O)c1cnc2ccccc2c1[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548391297 1186038365 /nfs/dbraw/zinc/03/83/65/1186038365.db2.gz UDFPCAARYDKTQJ-UHFFFAOYSA-N 0 3 380.408 0.330 20 0 GCADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000430881192 1186045246 /nfs/dbraw/zinc/04/52/46/1186045246.db2.gz ZAZXQHXXBLCUDO-HNNXBMFYSA-N 0 3 396.513 0.012 20 0 GCADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CNC[C@H]3CCCO3)CC2)C1 ZINC000430893107 1186048888 /nfs/dbraw/zinc/04/88/88/1186048888.db2.gz CYYHAAIRRCFKLD-FGTMMUONSA-N 0 3 380.533 0.594 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430904222 1186049843 /nfs/dbraw/zinc/04/98/43/1186049843.db2.gz POATWOZELQEZMO-MRXNPFEDSA-N 0 3 375.473 0.005 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000430909501 1186050708 /nfs/dbraw/zinc/05/07/08/1186050708.db2.gz OIEFWZCZVRMQSE-KRWDZBQOSA-N 0 3 385.472 0.075 20 0 GCADHN COC(=O)C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCC1 ZINC000610596193 1186065663 /nfs/dbraw/zinc/06/56/63/1186065663.db2.gz FZHMBUXHGYICBR-UHFFFAOYSA-N 0 3 380.489 0.669 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)Cc2ccccn2)CC1 ZINC000510723230 1186076073 /nfs/dbraw/zinc/07/60/73/1186076073.db2.gz ZPVXEFJPLDEYHH-UHFFFAOYSA-N 0 3 383.518 0.148 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000562978087 1186086069 /nfs/dbraw/zinc/08/60/69/1186086069.db2.gz WKXGTRKLFCPZQE-SFHVURJKSA-N 0 3 395.525 0.997 20 0 GCADHN COC(=O)C1(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCC1 ZINC000610641222 1186092337 /nfs/dbraw/zinc/09/23/37/1186092337.db2.gz DRSDKKOUYQDTHD-OAHLLOKOSA-N 0 3 382.505 0.962 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)NCCN1CCc2ccccc21 ZINC000510743993 1186096883 /nfs/dbraw/zinc/09/68/83/1186096883.db2.gz CJDCDVLWPZXGPO-SJORKVTESA-N 0 3 394.541 0.615 20 0 GCADHN CO[C@H](C)c1noc(CN2CCCN(C(=O)CNC[C@@H]3CCCO3)CC2)n1 ZINC000431001810 1186097387 /nfs/dbraw/zinc/09/73/87/1186097387.db2.gz LHUPNASMKLPDSV-CABCVRRESA-N 0 3 381.477 0.580 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)NCCOc1ccc(F)cc1 ZINC000510765759 1186103843 /nfs/dbraw/zinc/10/38/43/1186103843.db2.gz PCHFZRJDWNZZLF-CVEARBPZSA-N 0 3 387.477 0.771 20 0 GCADHN Cn1ccnc1[C@@H](O)C1CCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000933846971 1186109313 /nfs/dbraw/zinc/10/93/13/1186109313.db2.gz NCQCSBPBQOMRMD-INIZCTEOSA-N 0 3 391.516 0.540 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)NCc1cccc(OCCN2CCOCC2)c1 ZINC000431041410 1186111044 /nfs/dbraw/zinc/11/10/44/1186111044.db2.gz UMUOYWMXXBIEHO-IBGZPJMESA-N 0 3 377.485 0.782 20 0 GCADHN COc1nccc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 ZINC001087181482 1186117546 /nfs/dbraw/zinc/11/75/46/1186117546.db2.gz ULNWAFPGSQDJMZ-XYVMCAHJSA-N 0 3 391.516 0.921 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891887458 1186133718 /nfs/dbraw/zinc/13/37/18/1186133718.db2.gz KUFDTQVCRGSADT-GVDBMIGSSA-N 0 3 380.514 0.718 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891887459 1186133855 /nfs/dbraw/zinc/13/38/55/1186133855.db2.gz KUFDTQVCRGSADT-ULQDDVLXSA-N 0 3 380.514 0.718 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)Cn3nnc4ccccc4c3=O)C2)CC1 ZINC000610727247 1186151091 /nfs/dbraw/zinc/15/10/91/1186151091.db2.gz QIZWEKLEBBMZJX-INIZCTEOSA-N 0 3 384.484 0.418 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)Cn3nnc4ccccc4c3=O)C2)CC1 ZINC000610727248 1186151284 /nfs/dbraw/zinc/15/12/84/1186151284.db2.gz QIZWEKLEBBMZJX-MRXNPFEDSA-N 0 3 384.484 0.418 20 0 GCADHN Cn1cc(N2CCC[C@@H](N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001022452748 1186175022 /nfs/dbraw/zinc/17/50/22/1186175022.db2.gz QJEVTWYFXRBMOR-BHMYGEIMSA-N 0 3 399.495 0.576 20 0 GCADHN Cc1cc(N2CC[C@@H](N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n(C)n1 ZINC001022452808 1186175118 /nfs/dbraw/zinc/17/51/18/1186175118.db2.gz SBGFWFKQORNWFN-KESYZNALSA-N 0 3 399.495 0.494 20 0 GCADHN Cn1ccc(N2CCC[C@H](N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001022452758 1186175333 /nfs/dbraw/zinc/17/53/33/1186175333.db2.gz QQETYMUDVHFXGW-WCJWXNGTSA-N 0 3 399.495 0.576 20 0 GCADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000933950905 1186177697 /nfs/dbraw/zinc/17/76/97/1186177697.db2.gz XWQDPHKPNUXWOC-NVXWUHKLSA-N 0 3 385.472 0.301 20 0 GCADHN COCCN(C)c1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cn1 ZINC000276971538 1186183506 /nfs/dbraw/zinc/18/35/06/1186183506.db2.gz PPTGBUTTWCJCMN-SFHVURJKSA-N 0 3 391.516 0.187 20 0 GCADHN CN(CCNCC(=O)N1CCC[C@@H](C(N)=O)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001691406183 1186213877 /nfs/dbraw/zinc/21/38/77/1186213877.db2.gz NSMAGWOYHFEJQO-VVLHAWIVSA-N 0 3 378.517 0.585 20 0 GCADHN CC(C)C[C@H]1C(=O)NCCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000458227043 1186218473 /nfs/dbraw/zinc/21/84/73/1186218473.db2.gz OJLOHJGRNVHRKU-IRXDYDNUSA-N 0 3 395.548 0.875 20 0 GCADHN CC(C)C[C@H]1C(=O)NCCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000458227047 1186218746 /nfs/dbraw/zinc/21/87/46/1186218746.db2.gz OJLOHJGRNVHRKU-SJORKVTESA-N 0 3 395.548 0.875 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458232785 1186219401 /nfs/dbraw/zinc/21/94/01/1186219401.db2.gz XFOFQIPZJBNAGE-ZDUSSCGKSA-N 0 3 399.542 0.739 20 0 GCADHN COC(=O)[C@@H]1CN(C[C@@H](O)C2(O)CCCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045966 1186225628 /nfs/dbraw/zinc/22/56/28/1186225628.db2.gz MNLMNCRBXHVPJQ-LSDHHAIUSA-N 0 3 398.500 0.994 20 0 GCADHN COC(=O)[C@H]1CN(CCN2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045906 1186225709 /nfs/dbraw/zinc/22/57/09/1186225709.db2.gz KYDDZFRDEACWRM-OAHLLOKOSA-N 0 3 383.489 0.661 20 0 GCADHN COC(=O)[C@@H]1CN(C[C@H](O)C2(O)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934046540 1186225945 /nfs/dbraw/zinc/22/59/45/1186225945.db2.gz XSWUGRZVNHBDOC-KBPBESRZSA-N 0 3 384.473 0.604 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1 ZINC000277050110 1186232978 /nfs/dbraw/zinc/23/29/78/1186232978.db2.gz FWPICGJTKORBJD-SFHVURJKSA-N 0 3 382.464 0.917 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1=NN(CCO)C(=O)CC1 ZINC000277050246 1186233223 /nfs/dbraw/zinc/23/32/23/1186233223.db2.gz AYSPTEKHBKOKJP-QGZVFWFLSA-N 0 3 388.468 0.364 20 0 GCADHN O=C(CN1CCCS1(=O)=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277081554 1186237271 /nfs/dbraw/zinc/23/72/71/1186237271.db2.gz UQQIPCRGVUQRPO-KRWDZBQOSA-N 0 3 381.498 0.429 20 0 GCADHN CS(=O)(=O)NCCNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000048559060 1186245223 /nfs/dbraw/zinc/24/52/23/1186245223.db2.gz VWXFHWXVHYYVES-UHFFFAOYSA-N 0 3 397.545 0.043 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@H](C[NH2+]Cc2nc(=O)n(C)[n-]2)C1 ZINC001087189235 1186245565 /nfs/dbraw/zinc/24/55/65/1186245565.db2.gz BCMQGRWZOPXGEW-BSWAZPDLSA-N 0 3 391.516 0.888 20 0 GCADHN COC(=O)CCn1nc(C)c(CN(C)C2CCN(S(C)(=O)=O)CC2)c1C ZINC000535849980 1186256172 /nfs/dbraw/zinc/25/61/72/1186256172.db2.gz BFTVMESEUYLFDY-UHFFFAOYSA-N 0 3 386.518 0.919 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H](C[NH2+]Cc2nc(=O)n(C)[n-]2)C1 ZINC001087191976 1186261873 /nfs/dbraw/zinc/26/18/73/1186261873.db2.gz QSLCOOUBWAFLAI-JLHDYFKBSA-N 0 3 377.489 0.640 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2cnc(C)[n-]c2=O)CC1 ZINC000548504740 1186271032 /nfs/dbraw/zinc/27/10/32/1186271032.db2.gz KQGGOHPHEDWVMV-UHFFFAOYSA-N 0 3 380.474 0.773 20 0 GCADHN Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CC1(O)CCOCC1 ZINC001707915153 1186272307 /nfs/dbraw/zinc/27/23/07/1186272307.db2.gz 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ZINC000472086133 1186336691 /nfs/dbraw/zinc/33/66/91/1186336691.db2.gz OPYBABZMSPSYRD-KRWDZBQOSA-N 0 3 376.501 0.575 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000548605610 1186338561 /nfs/dbraw/zinc/33/85/61/1186338561.db2.gz ZVBCQVBZUNFJQB-YDZRNGNQSA-N 0 3 398.548 0.474 20 0 GCADHN CCOC(=O)[C@H]1NC(=O)N(Cc2ccc(CN3CCN(CC)CC3)cc2)C1=O ZINC000277348928 1186344123 /nfs/dbraw/zinc/34/41/23/1186344123.db2.gz NJRCCJKEIQBFEK-KRWDZBQOSA-N 0 3 388.468 0.808 20 0 GCADHN COC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2CN2CC[C@@H](O)C2)C1=O ZINC000277377019 1186353542 /nfs/dbraw/zinc/35/35/42/1186353542.db2.gz ZDOFUPXFOIJZQA-HZPDHXFCSA-N 0 3 375.425 0.627 20 0 GCADHN CCCN1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1=O ZINC000472105085 1186353661 /nfs/dbraw/zinc/35/36/61/1186353661.db2.gz ZIYMKIRHISVXFQ-INIZCTEOSA-N 0 3 381.521 0.583 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000892120901 1186355622 /nfs/dbraw/zinc/35/56/22/1186355622.db2.gz 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ZINC000892135454 1186364610 /nfs/dbraw/zinc/36/46/10/1186364610.db2.gz RTTVACFIPQOSBR-SJORKVTESA-N 0 3 393.484 0.807 20 0 GCADHN Cn1cc(C(=O)NCC2CCN(C(=O)C3(N)Cc4ccccc4C3)CC2)cn1 ZINC000370798689 1186367907 /nfs/dbraw/zinc/36/79/07/1186367907.db2.gz TVZYSBNJOLNXIZ-UHFFFAOYSA-N 0 3 381.480 0.885 20 0 GCADHN CCN1CCN(CCCNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000106172587 1186377714 /nfs/dbraw/zinc/37/77/14/1186377714.db2.gz PBBOOXTUXVEJED-UHFFFAOYSA-N 0 3 394.541 0.885 20 0 GCADHN O=C(CN1CC[C@@H]2[C@@H]1CCCN2CCO)NC[C@@H]1COc2ccccc2O1 ZINC000934252338 1186379980 /nfs/dbraw/zinc/37/99/80/1186379980.db2.gz KRFGTDMLBYGLCS-IXDOHACOSA-N 0 3 375.469 0.474 20 0 GCADHN COc1ccc(CNC(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)cc1OC ZINC000934252880 1186380095 /nfs/dbraw/zinc/38/00/95/1186380095.db2.gz OAGGTXWPHIDJFF-IRXDYDNUSA-N 0 3 377.485 0.851 20 0 GCADHN COc1ccc(CNC(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)cc1OC ZINC000934252884 1186380157 /nfs/dbraw/zinc/38/01/57/1186380157.db2.gz OAGGTXWPHIDJFF-SJORKVTESA-N 0 3 377.485 0.851 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000934254610 1186381491 /nfs/dbraw/zinc/38/14/91/1186381491.db2.gz DFGGHCVULLDZKA-IRXDYDNUSA-N 0 3 382.505 0.255 20 0 GCADHN Cn1c(=O)c2cc(NC(=O)NC[C@@H]3NCCc4ccccc43)cnc2n(C)c1=O ZINC000582050110 1186382198 /nfs/dbraw/zinc/38/21/98/1186382198.db2.gz HXSCLGLXHXFULZ-INIZCTEOSA-N 0 3 394.435 0.641 20 0 GCADHN Cn1c(=O)c2cc(NC(=O)NC[C@H]3NCCc4ccccc43)cnc2n(C)c1=O ZINC000582050111 1186382880 /nfs/dbraw/zinc/38/28/80/1186382880.db2.gz HXSCLGLXHXFULZ-MRXNPFEDSA-N 0 3 394.435 0.641 20 0 GCADHN COCCN(C)CCNC(=O)[C@@](C)(O)CN1c2ccccc2C(C)(C)C1=O ZINC000277446331 1186386816 /nfs/dbraw/zinc/38/68/16/1186386816.db2.gz FPXLTISBBNCKOL-FQEVSTJZSA-N 0 3 377.485 0.756 20 0 GCADHN Cc1ccc(NC(=O)CN(C)C(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000934261368 1186389019 /nfs/dbraw/zinc/38/90/19/1186389019.db2.gz RGMKMPYILKZLBJ-MOPGFXCFSA-N 0 3 388.512 0.923 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000892169938 1186396444 /nfs/dbraw/zinc/39/64/44/1186396444.db2.gz BEWHDIPRIKATLF-ROUUACIJSA-N 0 3 390.484 0.552 20 0 GCADHN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582074080 1186397549 /nfs/dbraw/zinc/39/75/49/1186397549.db2.gz ZMXKHWAUHLESIT-SGMGOOAPSA-N 0 3 394.497 0.804 20 0 GCADHN CC(=O)N[C@H](C)C1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000582090980 1186406676 /nfs/dbraw/zinc/40/66/76/1186406676.db2.gz WEZFHWXOXFHFMB-RHSMWYFYSA-N 0 3 380.533 0.986 20 0 GCADHN CS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000892181877 1186408114 /nfs/dbraw/zinc/40/81/14/1186408114.db2.gz ZCVUSNZAWYZPFA-QZTJIDSGSA-N 0 3 395.525 0.972 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1 ZINC000152168697 1186411213 /nfs/dbraw/zinc/41/12/13/1186411213.db2.gz CPLJQTAUYRJICT-HZPDHXFCSA-N 0 3 393.536 0.312 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1 ZINC000152168623 1186411592 /nfs/dbraw/zinc/41/15/92/1186411592.db2.gz CPLJQTAUYRJICT-JKSUJKDBSA-N 0 3 393.536 0.312 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CCN2C1=O ZINC000582133846 1186430295 /nfs/dbraw/zinc/43/02/95/1186430295.db2.gz PAICGYWXYKPIGR-ZNMIVQPWSA-N 0 3 393.513 0.075 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)CC2CCCCC2)CC1 ZINC000152264161 1186442070 /nfs/dbraw/zinc/44/20/70/1186442070.db2.gz NRTSCYVAXNUYDO-KRWDZBQOSA-N 0 3 378.517 0.838 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000057700096 1186445684 /nfs/dbraw/zinc/44/56/84/1186445684.db2.gz VONIUCVRPUCMJE-UHFFFAOYSA-N 0 3 382.486 0.756 20 0 GCADHN O=C(NC[C@H]1CCCCN1C1CC1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000277504199 1186451386 /nfs/dbraw/zinc/45/13/86/1186451386.db2.gz KNDTYFLMYHXYHH-MRXNPFEDSA-N 0 3 384.488 0.869 20 0 GCADHN CN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000892217847 1186456907 /nfs/dbraw/zinc/45/69/07/1186456907.db2.gz FIVQACITKXNUFU-UHFFFAOYSA-N 0 3 397.907 0.071 20 0 GCADHN CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582189309 1186458294 /nfs/dbraw/zinc/45/82/94/1186458294.db2.gz MCDFSTJIHITZNI-IRXDYDNUSA-N 0 3 392.500 0.479 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CCN2C1=O ZINC000582193216 1186463103 /nfs/dbraw/zinc/46/31/03/1186463103.db2.gz XEGDMEFDSWFZAL-HZPDHXFCSA-N 0 3 397.435 0.985 20 0 GCADHN CCC[C@H](CCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582253171 1186475846 /nfs/dbraw/zinc/47/58/46/1186475846.db2.gz NRMHWOSDEBLFPP-FGTMMUONSA-N 0 3 386.496 0.675 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000582256063 1186476548 /nfs/dbraw/zinc/47/65/48/1186476548.db2.gz ZFOJASLHJYALOC-AWEZNQCLSA-N 0 3 378.439 0.930 20 0 GCADHN CN1CCC[C@H](NC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000892236921 1186482384 /nfs/dbraw/zinc/48/23/84/1186482384.db2.gz HHYZOLWNYQZLCR-KBPBESRZSA-N 0 3 395.504 0.600 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000582311993 1186493595 /nfs/dbraw/zinc/49/35/95/1186493595.db2.gz GCSXXAQFTQVHKK-CHWSQXEVSA-N 0 3 384.358 0.206 20 0 GCADHN COC(=O)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(C(=O)OC)c1 ZINC000582313121 1186494247 /nfs/dbraw/zinc/49/42/47/1186494247.db2.gz ZDSVBXZOAFYGDX-KGLIPLIRSA-N 0 3 390.396 0.036 20 0 GCADHN CN(C[C@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1)S(C)(=O)=O ZINC000511103010 1186502641 /nfs/dbraw/zinc/50/26/41/1186502641.db2.gz AWMMFQSIXHSCFJ-CQSZACIVSA-N 0 3 396.513 0.718 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000559906429 1186504945 /nfs/dbraw/zinc/50/49/45/1186504945.db2.gz BNWGIHQFBDFPRW-ZDUSSCGKSA-N 0 3 376.457 0.822 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2scc3c2OCCO3)CC1=O ZINC000655399926 1186507543 /nfs/dbraw/zinc/50/75/43/1186507543.db2.gz QXDOJAKTLMDWRI-LBPRGKRZSA-N 0 3 383.470 0.428 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnc(N(C)C)c(Cl)c2)CC1=O ZINC000655399880 1186507796 /nfs/dbraw/zinc/50/77/96/1186507796.db2.gz NWDYIGRFRVHTIT-CQSZACIVSA-N 0 3 397.907 0.710 20 0 GCADHN O=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892258815 1186514383 /nfs/dbraw/zinc/51/43/83/1186514383.db2.gz KCPORYHHMJDMFD-ZIFCJYIRSA-N 0 3 398.573 0.435 20 0 GCADHN CC1(C)CCN(CC(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@@H]3C2)C1 ZINC001022729153 1186516408 /nfs/dbraw/zinc/51/64/08/1186516408.db2.gz CIELSXBHSARSAX-LTIDMASMSA-N 0 3 390.528 0.679 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000560013186 1186528868 /nfs/dbraw/zinc/52/88/68/1186528868.db2.gz SROMZZDOMMLPCJ-INIZCTEOSA-N 0 3 379.432 0.951 20 0 GCADHN Cn1cnc2c1c(=O)n(CCCN1CCC[C@@H]1[C@H](O)C(F)(F)F)c(=O)n2C ZINC000111232078 1186530479 /nfs/dbraw/zinc/53/04/79/1186530479.db2.gz USTPLLUDIDCYSG-PWSUYJOCSA-N 0 3 389.378 0.211 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCn3c(nnc3C(C)(C)C)C2)C1 ZINC000582431324 1186531196 /nfs/dbraw/zinc/53/11/96/1186531196.db2.gz ABQIGIBOTZOQMQ-CQSZACIVSA-N 0 3 376.505 0.859 20 0 GCADHN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCCCN1CCN(C)CC1 ZINC000158853030 1186543838 /nfs/dbraw/zinc/54/38/38/1186543838.db2.gz HGSFZIPBNYWBCF-UHFFFAOYSA-N 0 3 394.541 0.902 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)CC1=O ZINC000582494080 1186550901 /nfs/dbraw/zinc/55/09/01/1186550901.db2.gz BBRBFDLIXZJEHZ-AWEZNQCLSA-N 0 3 385.896 0.449 20 0 GCADHN COC[C@H](Nc1nc(NCCO)nc(NC(C)C)n1)c1cccc(Cl)c1 ZINC000582508436 1186555018 /nfs/dbraw/zinc/55/50/18/1186555018.db2.gz NPDKTXZBTNNVMH-AWEZNQCLSA-N 0 3 380.880 0.815 20 0 GCADHN CC(C)CN1C[C@@H]2CN(C(=O)N[C@H](C)CCN3CCN(C)CC3)CCN2C1=O ZINC000582523186 1186557380 /nfs/dbraw/zinc/55/73/80/1186557380.db2.gz DGSAHKQAGFJGCP-MSOLQXFVSA-N 0 3 394.564 0.800 20 0 GCADHN CCN1CCN(Cc2ccc(CNS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000127788714 1186557530 /nfs/dbraw/zinc/55/75/30/1186557530.db2.gz JCEADXOASKJDRQ-UHFFFAOYSA-N 0 3 382.530 0.491 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000582538903 1186560728 /nfs/dbraw/zinc/56/07/28/1186560728.db2.gz KEFMIVOSUILOLU-MQOOWTBDSA-N 0 3 392.544 0.686 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000560219127 1186564197 /nfs/dbraw/zinc/56/41/97/1186564197.db2.gz OYYYDMJHKHEFLW-NNFUDEMPSA-N 0 3 391.516 0.945 20 0 GCADHN COc1ncc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[C@H]2C(N)=O)c(C)n1 ZINC001087214358 1186566139 /nfs/dbraw/zinc/56/61/39/1186566139.db2.gz QWRYGKQHKKEBNR-CAPXZKIUSA-N 0 3 375.473 0.632 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)c1nnnn1-c1ccccc1 ZINC000582565043 1186568306 /nfs/dbraw/zinc/56/83/06/1186568306.db2.gz DQJIVIXFKUNBCJ-HOCLYGCPSA-N 0 3 383.456 0.536 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)CN[C@@H](CO)C2CCOCC2)c1 ZINC000582566018 1186568309 /nfs/dbraw/zinc/56/83/09/1186568309.db2.gz ASOKYRVWKHRCCM-INIZCTEOSA-N 0 3 385.486 0.253 20 0 GCADHN C[C@@]1(C2CCN(CCC(=O)NCC(=O)c3ccccc3)CC2)NC(=O)NC1=O ZINC000511163174 1186569601 /nfs/dbraw/zinc/56/96/01/1186569601.db2.gz VGJILTVLHAIESW-FQEVSTJZSA-N 0 3 386.452 0.686 20 0 GCADHN COc1cccc(OC)c1OC[C@H](O)CN1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277704312 1186571492 /nfs/dbraw/zinc/57/14/92/1186571492.db2.gz HXENDUXFHLAWLZ-BBWFWOEESA-N 0 3 391.468 0.885 20 0 GCADHN Cn1nc(CCNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)c2ccccc21 ZINC000611632758 1186576834 /nfs/dbraw/zinc/57/68/34/1186576834.db2.gz WDSLLAPIFHPHRU-MRXNPFEDSA-N 0 3 399.495 0.602 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)CNS(=O)(=O)c2ccccc2F)CC1 ZINC000582123776 1186579596 /nfs/dbraw/zinc/57/95/96/1186579596.db2.gz JJLBNUPZJWERDH-AWEZNQCLSA-N 0 3 386.493 0.246 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c2ccccc2O1 ZINC000609405045 1186579665 /nfs/dbraw/zinc/57/96/65/1186579665.db2.gz IPLNBZDUXVZEPI-PBHICJAKSA-N 0 3 387.436 0.554 20 0 GCADHN COC(=O)COc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000609405366 1186580754 /nfs/dbraw/zinc/58/07/54/1186580754.db2.gz ZWJHZXANKZPLHU-OAHLLOKOSA-N 0 3 375.425 0.777 20 0 GCADHN CC(C)(O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000892270742 1186582201 /nfs/dbraw/zinc/58/22/01/1186582201.db2.gz JAKZPEGBCSMLGZ-UHFFFAOYSA-N 0 3 383.514 0.600 20 0 GCADHN CN(C)C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000582611091 1186584171 /nfs/dbraw/zinc/58/41/71/1186584171.db2.gz LUMNNEQDCQUGSF-CQSZACIVSA-N 0 3 389.435 0.462 20 0 GCADHN CC(C)(C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]21)N1CCCCC1 ZINC000972296022 1186585662 /nfs/dbraw/zinc/58/56/62/1186585662.db2.gz MJLUXYDRHROHCJ-LVQVYYBASA-N 0 3 376.501 0.432 20 0 GCADHN CCCCn1cc(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)n1 ZINC000582621090 1186588318 /nfs/dbraw/zinc/58/83/18/1186588318.db2.gz CMNLBEORVPDMHG-MRXNPFEDSA-N 0 3 392.548 0.608 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N(C)Cc1ccccc1S(N)(=O)=O ZINC000431465603 1186591067 /nfs/dbraw/zinc/59/10/67/1186591067.db2.gz PFWIJRMPDOLRCD-OAHLLOKOSA-N 0 3 397.545 0.501 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000431467854 1186595043 /nfs/dbraw/zinc/59/50/43/1186595043.db2.gz ARRBXXDFQPRGOX-NVXWUHKLSA-N 0 3 383.514 0.894 20 0 GCADHN CN1CCN(CCNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1(C)C ZINC000582644631 1186597075 /nfs/dbraw/zinc/59/70/75/1186597075.db2.gz PIJJFNWEWWBZNO-UHFFFAOYSA-N 0 3 394.541 0.883 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000582653859 1186598970 /nfs/dbraw/zinc/59/89/70/1186598970.db2.gz CCWLJNNYJZXKSA-MRXNPFEDSA-N 0 3 378.492 0.874 20 0 GCADHN NC(=O)c1cc(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)on1 ZINC000277776865 1186602380 /nfs/dbraw/zinc/60/23/80/1186602380.db2.gz YQBQKSPTTXDIJO-INIZCTEOSA-N 0 3 387.440 0.864 20 0 GCADHN CN1CCN(C)[C@H](CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000277788246 1186610421 /nfs/dbraw/zinc/61/04/21/1186610421.db2.gz ZXXJNDWNXPBUEP-WOJBJXKFSA-N 0 3 389.544 0.823 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000153073738 1186619042 /nfs/dbraw/zinc/61/90/42/1186619042.db2.gz KQVXFCJPYDJKTN-KRWDZBQOSA-N 0 3 386.500 0.458 20 0 GCADHN C[C@@H](CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000074612766 1186625295 /nfs/dbraw/zinc/62/52/95/1186625295.db2.gz WNYOAGNRHBAZPU-DLBZAZTESA-N 0 3 377.537 0.572 20 0 GCADHN C[C@H](CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000074657092 1186626187 /nfs/dbraw/zinc/62/61/87/1186626187.db2.gz YOYXLDSBALTDLS-QZTJIDSGSA-N 0 3 379.549 0.914 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000657607287 1186662343 /nfs/dbraw/zinc/66/23/43/1186662343.db2.gz YKJIEVVKXDPVPB-CXMPNGEBSA-N 0 3 392.477 0.995 20 0 GCADHN CNC(=O)c1cc(O[C@H]2CCCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)ccn1 ZINC000582792601 1186678173 /nfs/dbraw/zinc/67/81/73/1186678173.db2.gz QFQFSKLBYUJHDF-WMZOPIPTSA-N 0 3 387.484 0.201 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cncc(OCC(F)(F)F)n1 ZINC000657650740 1186689314 /nfs/dbraw/zinc/68/93/14/1186689314.db2.gz UDHZJDZCYPAVKZ-JTQLQIEISA-N 0 3 375.351 0.957 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)Cc1ccccc1 ZINC000048834058 1186699938 /nfs/dbraw/zinc/69/99/38/1186699938.db2.gz ZBROVQXOLHNJKJ-QGZVFWFLSA-N 0 3 398.463 0.778 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CN(C)C4CCC4)C[C@H]32)C1 ZINC000972403679 1186704486 /nfs/dbraw/zinc/70/44/86/1186704486.db2.gz ZIUDMQDCUKTBDM-MUIFIZLQSA-N 0 3 376.501 0.445 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H](C)S1 ZINC000582831534 1186705595 /nfs/dbraw/zinc/70/55/95/1186705595.db2.gz XQEXBLOGMSOMOU-GJZGRUSLSA-N 0 3 382.530 0.105 20 0 GCADHN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611726359 1186708840 /nfs/dbraw/zinc/70/88/40/1186708840.db2.gz WCJQPKAWTAURRZ-XDNAFOTISA-N 0 3 391.512 0.820 20 0 GCADHN Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cnn1C1CCOCC1 ZINC000120369028 1186711596 /nfs/dbraw/zinc/71/15/96/1186711596.db2.gz QPEKERKQOWNJPM-GOSISDBHSA-N 0 3 389.500 0.922 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)NCC2(CO)COC2)CC1 ZINC000120524890 1186715496 /nfs/dbraw/zinc/71/54/96/1186715496.db2.gz LVWOMLLZVFELGT-UHFFFAOYSA-N 0 3 376.501 0.632 20 0 GCADHN C[C@H](O)CN1CCN(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC1 ZINC000548777157 1186716336 /nfs/dbraw/zinc/71/63/36/1186716336.db2.gz ASZXVXYQFPFLTB-ICSRJNTNSA-N 0 3 389.544 0.683 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4c(C)nc[n-]c4=O)C[C@H]32)CC[N@@H+]1C ZINC000972432526 1186722110 /nfs/dbraw/zinc/72/21/10/1186722110.db2.gz XIRGDNDLZZBAHL-QKPAOTATSA-N 0 3 387.484 0.894 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)c4c(C)nc[n-]c4=O)C[C@H]32)CC[N@H+]1C ZINC000972432526 1186722112 /nfs/dbraw/zinc/72/21/12/1186722112.db2.gz XIRGDNDLZZBAHL-QKPAOTATSA-N 0 3 387.484 0.894 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000582892988 1186725261 /nfs/dbraw/zinc/72/52/61/1186725261.db2.gz DWEFRCDBRIOFMI-BXUZGUMPSA-N 0 3 376.413 0.811 20 0 GCADHN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582915663 1186729341 /nfs/dbraw/zinc/72/93/41/1186729341.db2.gz INJMPOBLZPCYOU-RYQLBKOJSA-N 0 3 386.496 0.910 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)CCSC1 ZINC000657700301 1186731671 /nfs/dbraw/zinc/73/16/71/1186731671.db2.gz VYNDISNXQWGPLH-GOSISDBHSA-N 0 3 376.482 0.465 20 0 GCADHN CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@]1(O)CN3CCC1CC3)C2=O ZINC000582955838 1186736867 /nfs/dbraw/zinc/73/68/67/1186736867.db2.gz DQSPGBGMXOUBPL-ARHKQHADSA-N 0 3 378.473 0.060 20 0 GCADHN CC[C@H](CNC(=O)CNS(=O)(=O)CCCOC)N1CCc2ccccc2C1 ZINC000431511616 1186739761 /nfs/dbraw/zinc/73/97/61/1186739761.db2.gz BLSBKQURDUDVJB-GOSISDBHSA-N 0 3 397.541 0.895 20 0 GCADHN Cn1c(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc2cccc(Cl)c21 ZINC000582975788 1186740099 /nfs/dbraw/zinc/74/00/99/1186740099.db2.gz KPNVCLFNUUUECD-PWSUYJOCSA-N 0 3 376.848 0.680 20 0 GCADHN Cn1c(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc2cccc(Cl)c21 ZINC000582975787 1186740475 /nfs/dbraw/zinc/74/04/75/1186740475.db2.gz KPNVCLFNUUUECD-JQWIXIFHSA-N 0 3 376.848 0.680 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000582991017 1186742923 /nfs/dbraw/zinc/74/29/23/1186742923.db2.gz TTZAGCJSOVWCFL-ILYVXUQDSA-N 0 3 392.544 0.828 20 0 GCADHN COCc1cccc(CNC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000162234029 1186746955 /nfs/dbraw/zinc/74/69/55/1186746955.db2.gz LETYKPHYXSFWTB-IBGZPJMESA-N 0 3 388.512 0.688 20 0 GCADHN CCN1C[C@H](C)N(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000685074641 1186763978 /nfs/dbraw/zinc/76/39/78/1186763978.db2.gz SZPGTESJCIIYLZ-BZSNNMDCSA-N 0 3 380.533 0.641 20 0 GCADHN CCN1C[C@H](C)N(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000685074644 1186764077 /nfs/dbraw/zinc/76/40/77/1186764077.db2.gz SZPGTESJCIIYLZ-OKZBNKHCSA-N 0 3 380.533 0.641 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000458375929 1186764373 /nfs/dbraw/zinc/76/43/73/1186764373.db2.gz KRCYLSWCWXBKGJ-HNNXBMFYSA-N 0 3 397.545 0.735 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccnn1Cc1ccc(OC)cc1OC ZINC000535925083 1186767254 /nfs/dbraw/zinc/76/72/54/1186767254.db2.gz VEQCFWIKPUHGDS-UHFFFAOYSA-N 0 3 389.456 0.955 20 0 GCADHN Cc1cccc(O[C@H](C)C(=O)N2CCN(CCC(=O)N3CCNCC3)CC2)c1 ZINC000262228169 1186769014 /nfs/dbraw/zinc/76/90/14/1186769014.db2.gz VCMQCMHWDAOCCV-GOSISDBHSA-N 0 3 388.512 0.728 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000583098698 1186770107 /nfs/dbraw/zinc/77/01/07/1186770107.db2.gz VDHSLPXSNLRGCW-INIZCTEOSA-N 0 3 376.505 0.607 20 0 GCADHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@@H](C)C1 ZINC000583098262 1186770447 /nfs/dbraw/zinc/77/04/47/1186770447.db2.gz SGPVFRGBTYKYDN-SQWLQELKSA-N 0 3 383.456 0.790 20 0 GCADHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569622519 1186791407 /nfs/dbraw/zinc/79/14/07/1186791407.db2.gz JVEPQXRFHIORJH-KGLIPLIRSA-N 0 3 389.456 0.563 20 0 GCADHN CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728551682 1186793364 /nfs/dbraw/zinc/79/33/64/1186793364.db2.gz OGHIFWCYUVCERB-XDJHFCHBSA-N 0 3 384.480 0.930 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3cccc(CN4CCCCC4=O)c3)CCN2C1=O ZINC000583215842 1186797724 /nfs/dbraw/zinc/79/77/24/1186797724.db2.gz ZXDRUQZYPXABIA-IAGOWNOFSA-N 0 3 385.468 0.975 20 0 GCADHN CN1CCN(C)CCN(C(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000888985235 1186800179 /nfs/dbraw/zinc/80/01/79/1186800179.db2.gz QFSUITSUOXTOCU-UHFFFAOYSA-N 0 3 397.564 0.681 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cccc(N3CCC3=O)c2)CC1 ZINC000583242160 1186805461 /nfs/dbraw/zinc/80/54/61/1186805461.db2.gz AZHKBYKFIJMRMO-GOSISDBHSA-N 0 3 399.495 0.871 20 0 GCADHN CN(C)C(=O)CNC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000155039089 1186807050 /nfs/dbraw/zinc/80/70/50/1186807050.db2.gz BNQNPLULASPVGT-QGZVFWFLSA-N 0 3 388.516 0.713 20 0 GCADHN Cc1nc(CN2CCN(C(=O)[C@H](C(C)C)N3C[C@@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000125200681 1186810013 /nfs/dbraw/zinc/81/00/13/1186810013.db2.gz VLYUMEVZWLYRRS-DAYGRLMNSA-N 0 3 378.521 0.891 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)co1 ZINC000125190946 1186810282 /nfs/dbraw/zinc/81/02/82/1186810282.db2.gz UOTNJAKJRRKVKA-UHFFFAOYSA-N 0 3 384.502 0.476 20 0 GCADHN CC[C@H](C)[C@H](N)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000262700337 1186815332 /nfs/dbraw/zinc/81/53/32/1186815332.db2.gz HSTKGZCTYXJNEL-BBRMVZONSA-N 0 3 381.498 0.748 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000162820780 1186815956 /nfs/dbraw/zinc/81/59/56/1186815956.db2.gz BUQQGMQNCUGJBZ-INIZCTEOSA-N 0 3 376.526 0.871 20 0 GCADHN O=S(=O)(NCC1CCN(CCO)CC1)c1ccccc1Cn1cncn1 ZINC000511235271 1186816121 /nfs/dbraw/zinc/81/61/21/1186816121.db2.gz QCBQKSKQTMSXCP-UHFFFAOYSA-N 0 3 379.486 0.309 20 0 GCADHN CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@](C)(O)CCOC ZINC001709092007 1186821473 /nfs/dbraw/zinc/82/14/73/1186821473.db2.gz MKIIYCVIRJMARZ-YLJYHZDGSA-N 0 3 394.564 0.844 20 0 GCADHN CCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@@]1(C)COCCO1 ZINC001709091767 1186822390 /nfs/dbraw/zinc/82/23/90/1186822390.db2.gz DRUUUCCGRIWIRZ-PXNSSMCTSA-N 0 3 392.548 0.862 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000685122551 1186830796 /nfs/dbraw/zinc/83/07/96/1186830796.db2.gz FJSFLCGFUFPYSU-CABCVRRESA-N 0 3 387.484 0.460 20 0 GCADHN COCC(=O)N1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000583357442 1186835043 /nfs/dbraw/zinc/83/50/43/1186835043.db2.gz YBLVTDHYUVENFX-HNNXBMFYSA-N 0 3 382.505 0.519 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000892335742 1186848645 /nfs/dbraw/zinc/84/86/45/1186848645.db2.gz VSNAUAZQIQPBCO-FQEVSTJZSA-N 0 3 397.516 0.977 20 0 GCADHN CCCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000049014733 1186856317 /nfs/dbraw/zinc/85/63/17/1186856317.db2.gz VBUFNIGYZKTFLS-UHFFFAOYSA-N 0 3 389.500 0.718 20 0 GCADHN CN1CCN(CCCCNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000531122795 1186859720 /nfs/dbraw/zinc/85/97/20/1186859720.db2.gz VGQZXMPDTQNMJL-FQEVSTJZSA-N 0 3 387.484 0.499 20 0 GCADHN COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1=O ZINC000458540564 1186862234 /nfs/dbraw/zinc/86/22/34/1186862234.db2.gz RKDYCDZZNUZKLG-HZPDHXFCSA-N 0 3 390.484 0.947 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cncc(N2CCOCC2)c1 ZINC000536041647 1186864716 /nfs/dbraw/zinc/86/47/16/1186864716.db2.gz JWRLVUYJVQFGEH-GOSISDBHSA-N 0 3 389.500 0.591 20 0 GCADHN NC(=O)NC1(C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000163102831 1186870008 /nfs/dbraw/zinc/87/00/08/1186870008.db2.gz LYLNGKURVMKGDP-INIZCTEOSA-N 0 3 386.500 0.643 20 0 GCADHN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000329199929 1186874742 /nfs/dbraw/zinc/87/47/42/1186874742.db2.gz XEZGNBUJKRUENY-HNNXBMFYSA-N 0 3 396.557 0.701 20 0 GCADHN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC[C@@H](CCC(N)=O)C1 ZINC000245395565 1186879695 /nfs/dbraw/zinc/87/96/95/1186879695.db2.gz HZVXBBQKWQHZCG-HOTGVXAUSA-N 0 3 390.484 0.930 20 0 GCADHN CCN1CCCN(C(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CC1 ZINC000163212744 1186887226 /nfs/dbraw/zinc/88/72/26/1186887226.db2.gz KCYZAFQNUDMNPV-UHFFFAOYSA-N 0 3 387.528 0.927 20 0 GCADHN O=C(c1cc(CN2CCCC2)on1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000583598541 1186897684 /nfs/dbraw/zinc/89/76/84/1186897684.db2.gz IGQBKALVLYNIRH-UHFFFAOYSA-N 0 3 378.473 0.570 20 0 GCADHN CCc1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCCN1CCN(CC)CC1 ZINC001709109375 1186902697 /nfs/dbraw/zinc/90/26/97/1186902697.db2.gz SCZJRMWKSVSDAE-MRXNPFEDSA-N 0 3 377.537 0.570 20 0 GCADHN Cc1cc(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc(C)n1 ZINC000583624987 1186902843 /nfs/dbraw/zinc/90/28/43/1186902843.db2.gz RLIJQABFNIPSJX-LJQANCHMSA-N 0 3 387.528 0.942 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685175515 1186909628 /nfs/dbraw/zinc/90/96/28/1186909628.db2.gz MKOOIMGLTPLVSB-LZWOXQAQSA-N 0 3 390.488 0.021 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685175331 1186911448 /nfs/dbraw/zinc/91/14/48/1186911448.db2.gz ZLVSKXUFCQTPRY-IIAWOOMASA-N 0 3 390.488 0.021 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c2ccccc2O1 ZINC000583676045 1186915611 /nfs/dbraw/zinc/91/56/11/1186915611.db2.gz RWUKZSJEXVDLBT-RHSMWYFYSA-N 0 3 389.452 0.895 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cnccc3-c3cccc(F)c3)CCN2C1=O ZINC000583704307 1186921735 /nfs/dbraw/zinc/92/17/35/1186921735.db2.gz CAQATGWRLDSMOZ-ZBFHGGJFSA-N 0 3 397.410 0.597 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cnccc3-c3cccc(F)c3)CCN2C1=O ZINC000583704305 1186922198 /nfs/dbraw/zinc/92/21/98/1186922198.db2.gz CAQATGWRLDSMOZ-GOEBONIOSA-N 0 3 397.410 0.597 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4cc(F)cc(F)c4)C3)CCN2C1=O ZINC000583705377 1186923950 /nfs/dbraw/zinc/92/39/50/1186923950.db2.gz WSENYWXMWVBIME-DDWPSWQVSA-N 0 3 392.406 0.097 20 0 GCADHN CCC(O)(CC)CN(C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000626110598 1186927649 /nfs/dbraw/zinc/92/76/49/1186927649.db2.gz JXWCIRWWTUTZFW-CQSZACIVSA-N 0 3 385.530 0.864 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCCS2)CC1 ZINC000685191933 1186928770 /nfs/dbraw/zinc/92/87/70/1186928770.db2.gz BQVIVDURNPPUJY-CABCVRRESA-N 0 3 382.530 0.153 20 0 GCADHN NC(=O)CSc1ccccc1NC(=O)CN[C@H]1CCC(=O)NC12CCC2 ZINC000583740709 1186929222 /nfs/dbraw/zinc/92/92/22/1186929222.db2.gz MFBZCSZENWGEGX-AWEZNQCLSA-N 0 3 376.482 0.993 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)ccc1F ZINC000548808576 1186931163 /nfs/dbraw/zinc/93/11/63/1186931163.db2.gz LPANSFOYPQFXNG-LLVKDONJSA-N 0 3 386.449 0.273 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000130117456 1186933295 /nfs/dbraw/zinc/93/32/95/1186933295.db2.gz FJOMSGWIKPFTSW-INIZCTEOSA-N 0 3 378.454 0.900 20 0 GCADHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000583760504 1186933812 /nfs/dbraw/zinc/93/38/12/1186933812.db2.gz LCHAJSRAVSWOAO-OAHLLOKOSA-N 0 3 396.513 0.782 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3c3ncccn3)CCN2C1=O ZINC000583763727 1186934377 /nfs/dbraw/zinc/93/43/77/1186934377.db2.gz IUGGTTDMMACCSO-UTSKFRMZSA-N 0 3 384.484 0.385 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000583764757 1186934964 /nfs/dbraw/zinc/93/49/64/1186934964.db2.gz SXFGTLQHEUDZMA-CMPLNLGQSA-N 0 3 386.330 0.294 20 0 GCADHN C[C@@H]1[C@H](NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)CCCN1C ZINC000458673419 1186938442 /nfs/dbraw/zinc/93/84/42/1186938442.db2.gz YCPJUJYHCXLTMW-BMFZPTHFSA-N 0 3 389.566 0.723 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000583869112 1186954231 /nfs/dbraw/zinc/95/42/31/1186954231.db2.gz XLQGRGLKNKAELG-LSDHHAIUSA-N 0 3 379.505 0.334 20 0 GCADHN CCc1noc2ncc(C(=O)N[C@@H]3CC(=O)N(CCN(C)CCOC)C3)cc12 ZINC000583893904 1186958198 /nfs/dbraw/zinc/95/81/98/1186958198.db2.gz VMUZVTTVIUYQCG-CQSZACIVSA-N 0 3 389.456 0.694 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000247543553 1186960832 /nfs/dbraw/zinc/96/08/32/1186960832.db2.gz DFMRFBGHHLFQFX-RDTXWAMCSA-N 0 3 376.505 0.686 20 0 GCADHN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CCC[C@@H](n3cc(CN)nn3)C1)CO2 ZINC000583921858 1186962551 /nfs/dbraw/zinc/96/25/51/1186962551.db2.gz DGYJNOIWWIKEAW-ZBFHGGJFSA-N 0 3 384.440 0.459 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C12CCCCC2 ZINC000583945825 1186965478 /nfs/dbraw/zinc/96/54/78/1186965478.db2.gz HPUUOSXVEDBRJC-YHUYYLMFSA-N 0 3 392.500 0.001 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C12CCCCC2 ZINC000583945823 1186965729 /nfs/dbraw/zinc/96/57/29/1186965729.db2.gz HPUUOSXVEDBRJC-LVQVYYBASA-N 0 3 392.500 0.001 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cn(Cc2ccccc2)nn1 ZINC000536176414 1186971219 /nfs/dbraw/zinc/97/12/19/1186971219.db2.gz IRBOHBZIEBHMHB-UHFFFAOYSA-N 0 3 386.500 0.446 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000278538494 1186972619 /nfs/dbraw/zinc/97/26/19/1186972619.db2.gz CHOPVNHECFOJII-HNNXBMFYSA-N 0 3 390.484 0.945 20 0 GCADHN COc1ccc([C@H](CNC(=O)CN2C[C@H](O)[C@@H](O)C2)N2CCCCC2)cc1 ZINC000278543322 1186972976 /nfs/dbraw/zinc/97/29/76/1186972976.db2.gz AIWROIRHBJBJCL-FHWLQOOXSA-N 0 3 377.485 0.376 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000151332583 1186977253 /nfs/dbraw/zinc/97/72/53/1186977253.db2.gz YOGOLKIADIAXLJ-KRWDZBQOSA-N 0 3 388.516 0.836 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000151332507 1186977322 /nfs/dbraw/zinc/97/73/22/1186977322.db2.gz YOGOLKIADIAXLJ-QGZVFWFLSA-N 0 3 388.516 0.836 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1ccc(-n2ccnn2)cc1 ZINC000151383595 1186978678 /nfs/dbraw/zinc/97/86/78/1186978678.db2.gz TVHGNTRJAKEHFD-UHFFFAOYSA-N 0 3 387.488 0.779 20 0 GCADHN COc1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1OC(F)F ZINC000584005941 1186978910 /nfs/dbraw/zinc/97/89/10/1186978910.db2.gz QENVZTBPDPXODY-NEPJUHHUSA-N 0 3 384.383 0.750 20 0 GCADHN CCS(=O)(=O)NCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000536190603 1186979401 /nfs/dbraw/zinc/97/94/01/1186979401.db2.gz HARJBSPDGUAIQN-UHFFFAOYSA-N 0 3 396.513 0.068 20 0 GCADHN O=C(N[C@H]1CCCN(CCCO)C1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000458768974 1186981176 /nfs/dbraw/zinc/98/11/76/1186981176.db2.gz MWRVEOSRYRBDAB-IRXDYDNUSA-N 0 3 381.521 0.813 20 0 GCADHN O=C(NC[C@@H]1CCCN(CCN2C(=O)CCC2=O)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001023496454 1186982152 /nfs/dbraw/zinc/98/21/52/1186982152.db2.gz HSXYYKPMCNASIW-IUVQAAGXSA-N 0 3 377.485 0.779 20 0 GCADHN O=C(NC[C@@H]1CCCN(CCN2CCCC2=O)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001023505406 1186983627 /nfs/dbraw/zinc/98/36/27/1186983627.db2.gz XBLJYRQOYPTQFO-LSTDLKDCSA-N 0 3 379.501 0.489 20 0 GCADHN O=C(NC[C@H]1CCCCN1CCO)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000584038692 1186986287 /nfs/dbraw/zinc/98/62/87/1186986287.db2.gz XZSLPVJEYHLRAO-IAGOWNOFSA-N 0 3 381.521 0.813 20 0 GCADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)C[C@@H](C)O2 ZINC000584039272 1186987827 /nfs/dbraw/zinc/98/78/27/1186987827.db2.gz YRRVCEIXWHUZNJ-NHAYFPRASA-N 0 3 379.501 0.868 20 0 GCADHN COC[C@H](N[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCCO1 ZINC000278608590 1186992653 /nfs/dbraw/zinc/99/26/53/1186992653.db2.gz DIECAWJDSHQKCO-JYJNAYRXSA-N 0 3 379.457 0.736 20 0 GCADHN COC[C@H](N[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1)[C@H]1CCCO1 ZINC000278608585 1186992816 /nfs/dbraw/zinc/99/28/16/1186992816.db2.gz DIECAWJDSHQKCO-HRCADAONSA-N 0 3 379.457 0.736 20 0 GCADHN C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000278627629 1186998273 /nfs/dbraw/zinc/99/82/73/1186998273.db2.gz GPCGQOQQNYILPK-RHSMWYFYSA-N 0 3 383.514 0.539 20 0 GCADHN CC[C@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1CCOCC1 ZINC000584118065 1187001923 /nfs/dbraw/zinc/00/19/23/1187001923.db2.gz GKQCCZGTWILOOV-DLBZAZTESA-N 0 3 396.532 0.367 20 0 GCADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000584123478 1187003227 /nfs/dbraw/zinc/00/32/27/1187003227.db2.gz XJUNHYKAGZHFSK-UHFFFAOYSA-N 0 3 383.518 0.183 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000151673844 1187010635 /nfs/dbraw/zinc/01/06/35/1187010635.db2.gz DXWSAXGCCRWOSM-AWEZNQCLSA-N 0 3 386.518 0.533 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001719758093 1187011983 /nfs/dbraw/zinc/01/19/83/1187011983.db2.gz IHDIOJZFKCCUHB-TWMKSMIVSA-N 0 3 381.517 0.875 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000584193747 1187012622 /nfs/dbraw/zinc/01/26/22/1187012622.db2.gz CYIVKLMVEYUDNG-IEBWSBKVSA-N 0 3 388.447 0.477 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(OCC(=O)OC)cc2)CC1 ZINC000278681655 1187018488 /nfs/dbraw/zinc/01/84/88/1187018488.db2.gz GKHSZUNXQKQOSJ-UHFFFAOYSA-N 0 3 385.486 0.154 20 0 GCADHN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000584232766 1187019170 /nfs/dbraw/zinc/01/91/70/1187019170.db2.gz VNBBYLSXLRWVSS-RDJZCZTQSA-N 0 3 376.457 0.643 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)CN1C1CC1 ZINC000685277348 1187019702 /nfs/dbraw/zinc/01/97/02/1187019702.db2.gz GPSLNLZKSYFYRJ-OAGGEKHMSA-N 0 3 378.517 0.440 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccncc3OCC(F)(F)F)CCN2C1=O ZINC000584243727 1187020715 /nfs/dbraw/zinc/02/07/15/1187020715.db2.gz WQJSCKVLEMMYNA-NWDGAFQWSA-N 0 3 387.362 0.476 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)CCC(=O)N3CCc4sccc4C3)CCN2C1=O ZINC000584243332 1187020879 /nfs/dbraw/zinc/02/08/79/1187020879.db2.gz XHIILAXTJBFKPL-KBPBESRZSA-N 0 3 376.482 0.183 20 0 GCADHN CC(C)O[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1(C)C ZINC000584257600 1187023360 /nfs/dbraw/zinc/02/33/60/1187023360.db2.gz AIHLLDSDOBJIRW-IRXDYDNUSA-N 0 3 382.549 0.791 20 0 GCADHN CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1(C)C ZINC000584257599 1187023535 /nfs/dbraw/zinc/02/35/35/1187023535.db2.gz AIHLLDSDOBJIRW-IAGOWNOFSA-N 0 3 382.549 0.791 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000052931753 1187025340 /nfs/dbraw/zinc/02/53/40/1187025340.db2.gz OEGOYBCXYPHRGY-RDJZCZTQSA-N 0 3 394.516 0.914 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)CCN2C1=O ZINC000584302820 1187028850 /nfs/dbraw/zinc/02/88/50/1187028850.db2.gz OPQGKPUPAYCCPN-GXTWGEPZSA-N 0 3 394.859 0.955 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)CC2CC2)cc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000584360267 1187040254 /nfs/dbraw/zinc/04/02/54/1187040254.db2.gz BOXUNCROPKCQHI-HXUWFJFHSA-N 0 3 392.521 0.986 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000611838174 1187046705 /nfs/dbraw/zinc/04/67/05/1187046705.db2.gz HBZQJSCIHJZPKF-HZPDHXFCSA-N 0 3 378.517 0.694 20 0 GCADHN C[C@@H](Cn1cncn1)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000657857773 1187054564 /nfs/dbraw/zinc/05/45/64/1187054564.db2.gz WJRIDSUCERAERZ-HOCLYGCPSA-N 0 3 379.486 0.914 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cc(=O)n3ccccc3n2)CC1 ZINC000584415227 1187055923 /nfs/dbraw/zinc/05/59/23/1187055923.db2.gz ZEKYUTLPWBHDOD-INIZCTEOSA-N 0 3 398.467 0.143 20 0 GCADHN COc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OC)cc1Cl ZINC000584422213 1187056018 /nfs/dbraw/zinc/05/60/18/1187056018.db2.gz PYBZDMOIWUQXFQ-ONGXEEELSA-N 0 3 396.831 0.066 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)CCN2C1=O ZINC000584422417 1187056740 /nfs/dbraw/zinc/05/67/40/1187056740.db2.gz WLDGLKRVTFLRFD-OCCSQVGLSA-N 0 3 396.900 0.319 20 0 GCADHN CC(C)n1ccc(CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000584427351 1187058823 /nfs/dbraw/zinc/05/88/23/1187058823.db2.gz RLBHGDJEQGGHCP-MRXNPFEDSA-N 0 3 392.504 0.139 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2ncccc2F)CC1)CN1CCN(C)CC1 ZINC000090593652 1187063928 /nfs/dbraw/zinc/06/39/28/1187063928.db2.gz LLUZBGSLLDHMCO-MRXNPFEDSA-N 0 3 378.496 0.936 20 0 GCADHN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000584438104 1187064288 /nfs/dbraw/zinc/06/42/88/1187064288.db2.gz KHJOTYIWPASFRY-SFHVURJKSA-N 0 3 378.517 0.443 20 0 GCADHN COCCN1CCC(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000141462619 1187080633 /nfs/dbraw/zinc/08/06/33/1187080633.db2.gz KOBFXIBIXVGTQR-AUUYWEPGSA-N 0 3 380.489 0.714 20 0 GCADHN COc1ccc(C(=O)NCC(=O)NCCCCN2CCN(C)CC2)cc1OC ZINC000147535051 1187084074 /nfs/dbraw/zinc/08/40/74/1187084074.db2.gz IJFHBLFFJVFXKN-UHFFFAOYSA-N 0 3 392.500 0.577 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)cc1 ZINC000148639589 1187087643 /nfs/dbraw/zinc/08/76/43/1187087643.db2.gz AZLFBSSTNPJPTA-UHFFFAOYSA-N 0 3 376.457 0.602 20 0 GCADHN CN(C)[C@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000032245882 1187089464 /nfs/dbraw/zinc/08/94/64/1187089464.db2.gz NSXDCUCCVGPJEK-INIZCTEOSA-N 0 3 395.463 0.535 20 0 GCADHN COCCN1C(=O)N[C@H]2CN(CCC(=O)N3CCOc4ccccc43)CC[C@H]21 ZINC000564182451 1187090704 /nfs/dbraw/zinc/09/07/04/1187090704.db2.gz WZYNXQLHXPYANW-JKSUJKDBSA-N 0 3 388.468 0.917 20 0 GCADHN COCCN1CCC(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000138562183 1187094770 /nfs/dbraw/zinc/09/47/70/1187094770.db2.gz AFSWHLFAOGKHFU-UHFFFAOYSA-N 0 3 379.457 0.661 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)[C@H]1CN(C)CCO1 ZINC000685338698 1187106992 /nfs/dbraw/zinc/10/69/92/1187106992.db2.gz DZKGJMYFPBLCHW-NWANDNLSSA-N 0 3 390.488 0.223 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)[C@@H]1CN(C)CCO1 ZINC000685338699 1187107298 /nfs/dbraw/zinc/10/72/98/1187107298.db2.gz DZKGJMYFPBLCHW-QEJZJMRPSA-N 0 3 390.488 0.223 20 0 GCADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1CN(C)CCO1 ZINC000685342086 1187107812 /nfs/dbraw/zinc/10/78/12/1187107812.db2.gz VYQHBSXMANTQIW-YJBOKZPZSA-N 0 3 394.491 0.551 20 0 GCADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H]1CN(C)CCO1 ZINC000685344443 1187110339 /nfs/dbraw/zinc/11/03/39/1187110339.db2.gz XACHSGBHFRVLNF-MAUKXSAKSA-N 0 3 394.491 0.551 20 0 GCADHN O=C(CCNC(=O)c1cccc(CN2CCCC2)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000139269998 1187115712 /nfs/dbraw/zinc/11/57/12/1187115712.db2.gz HYNCZKUNNFDPRC-QGZVFWFLSA-N 0 3 393.509 0.706 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCN3C)CC2)cc1 ZINC000139318392 1187116626 /nfs/dbraw/zinc/11/66/26/1187116626.db2.gz ZQEBFXNDIUFKNC-HNNXBMFYSA-N 0 3 396.513 0.805 20 0 GCADHN C[C@H](C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)N1CCN(C)CC1 ZINC000431577167 1187118601 /nfs/dbraw/zinc/11/86/01/1187118601.db2.gz WICVWXGLBHBGMX-MRXNPFEDSA-N 0 3 381.565 0.365 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000685520533 1187143617 /nfs/dbraw/zinc/14/36/17/1187143617.db2.gz JOEMJELXRCINKD-GOSISDBHSA-N 0 3 387.528 0.962 20 0 GCADHN COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000685520998 1187144534 /nfs/dbraw/zinc/14/45/34/1187144534.db2.gz PHPWSSYVKCERFM-MRXNPFEDSA-N 0 3 396.532 0.224 20 0 GCADHN O=C(CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)NC1CC1 ZINC000143044303 1187156887 /nfs/dbraw/zinc/15/68/87/1187156887.db2.gz BOZBYZKEIBJEEK-UHFFFAOYSA-N 0 3 390.509 0.611 20 0 GCADHN C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000143220635 1187159114 /nfs/dbraw/zinc/15/91/14/1187159114.db2.gz VROKVDIADDULSF-INIZCTEOSA-N 0 3 384.484 0.774 20 0 GCADHN NS(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000728598785 1187205898 /nfs/dbraw/zinc/20/58/98/1187205898.db2.gz SSGZDMMZXLPQIE-UHFFFAOYSA-N 0 3 395.485 0.106 20 0 GCADHN Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000548856065 1187225698 /nfs/dbraw/zinc/22/56/98/1187225698.db2.gz BISJWDCZIFEBMQ-CQSZACIVSA-N 0 3 390.513 0.965 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612036962 1187242813 /nfs/dbraw/zinc/24/28/13/1187242813.db2.gz BAPKMDYNZURSAQ-XWTMOSNGSA-N 0 3 382.549 0.837 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612036959 1187242933 /nfs/dbraw/zinc/24/29/33/1187242933.db2.gz BAPKMDYNZURSAQ-TVFCKZIOSA-N 0 3 382.549 0.837 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000612036960 1187243064 /nfs/dbraw/zinc/24/30/64/1187243064.db2.gz BAPKMDYNZURSAQ-XDNAFOTISA-N 0 3 382.549 0.837 20 0 GCADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1=O ZINC000612044320 1187245134 /nfs/dbraw/zinc/24/51/34/1187245134.db2.gz LHYCKJUSLGJLSI-JYJNAYRXSA-N 0 3 378.517 0.883 20 0 GCADHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@H]2CCCc3n[nH]nc32)CC1 ZINC000612053874 1187246023 /nfs/dbraw/zinc/24/60/23/1187246023.db2.gz LAXKEDPWIHZIAM-CQSZACIVSA-N 0 3 376.505 0.968 20 0 GCADHN O=C(C(=O)N1CCN(C2CCCC2)CC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000658146540 1187249065 /nfs/dbraw/zinc/24/90/65/1187249065.db2.gz QHKZKWIKKMVIJM-KRWDZBQOSA-N 0 3 378.517 0.254 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000472356134 1187249915 /nfs/dbraw/zinc/24/99/15/1187249915.db2.gz OMDIAMMRMPSKRV-HNNXBMFYSA-N 0 3 380.455 0.377 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1C ZINC000658262451 1187262824 /nfs/dbraw/zinc/26/28/24/1187262824.db2.gz TVFZJWUXAYUIEA-CYBMUJFWSA-N 0 3 396.513 0.878 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)ccc1C ZINC000658262837 1187262855 /nfs/dbraw/zinc/26/28/55/1187262855.db2.gz WUDSUAASVWUEKS-AWEZNQCLSA-N 0 3 396.513 0.831 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001024134493 1187262916 /nfs/dbraw/zinc/26/29/16/1187262916.db2.gz CJNLYKFSFLLQDE-MKXGPGLRSA-N 0 3 389.496 0.865 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000658262181 1187262995 /nfs/dbraw/zinc/26/29/95/1187262995.db2.gz ATVPJFVZDLNLNP-HNNXBMFYSA-N 0 3 392.504 0.143 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCN1C[C@H](C)OC[C@@H]1C ZINC000658424704 1187294837 /nfs/dbraw/zinc/29/48/37/1187294837.db2.gz PRQHERGVVHVKLA-GJZGRUSLSA-N 0 3 392.500 0.921 20 0 GCADHN CCN1CCN(c2nnc([C@@H]3CN4CCC[C@@H]4CO3)n2C[C@H]2CCOC2)CC1 ZINC000612154363 1187314755 /nfs/dbraw/zinc/31/47/55/1187314755.db2.gz ZZXAACLOBYCUQJ-KURKYZTESA-N 0 3 390.532 0.992 20 0 GCADHN COc1cc(NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)ncn1 ZINC000658481137 1187316246 /nfs/dbraw/zinc/31/62/46/1187316246.db2.gz FYBMEFMPYVABQP-UHFFFAOYSA-N 0 3 384.440 0.847 20 0 GCADHN CCCNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)cc1 ZINC000148654752 1187333487 /nfs/dbraw/zinc/33/34/87/1187333487.db2.gz YXRSWFAQYLYHAP-UHFFFAOYSA-N 0 3 390.484 0.992 20 0 GCADHN Cc1cc(C)cc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000658535809 1187337285 /nfs/dbraw/zinc/33/72/85/1187337285.db2.gz LSOUZFCKBIKCHU-UHFFFAOYSA-N 0 3 386.496 0.686 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@H]3COCCO3)c2)CC1 ZINC000658549436 1187339177 /nfs/dbraw/zinc/33/91/77/1187339177.db2.gz RJHKRCQQGDWBOB-SFHVURJKSA-N 0 3 390.484 0.641 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cc(C)ccc2C)C1 ZINC000685716488 1187344146 /nfs/dbraw/zinc/34/41/46/1187344146.db2.gz RKTQCPXNEKWIEH-MRXNPFEDSA-N 0 3 383.514 0.809 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658605951 1187378793 /nfs/dbraw/zinc/37/87/93/1187378793.db2.gz IQKQJFPSKMHIAG-INIZCTEOSA-N 0 3 394.541 0.571 20 0 GCADHN O=C(Cc1cncn1Cc1ccccc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000685742524 1187395660 /nfs/dbraw/zinc/39/56/60/1187395660.db2.gz HEBHCEMWXXVCRF-FQEVSTJZSA-N 0 3 397.523 0.997 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)Cc3cn(C)nn3)c(C)c2)CC1 ZINC000658675727 1187408613 /nfs/dbraw/zinc/40/86/13/1187408613.db2.gz IMUZHKGAENLHNY-UHFFFAOYSA-N 0 3 399.499 0.863 20 0 GCADHN COCCOc1ccccc1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443126565 1187453828 /nfs/dbraw/zinc/45/38/28/1187453828.db2.gz BDKDTUKLUUTQCM-UHFFFAOYSA-N 0 3 392.500 0.793 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccccc1F ZINC000658775867 1187455437 /nfs/dbraw/zinc/45/54/37/1187455437.db2.gz NBIVPTXASQEMRO-SFHVURJKSA-N 0 3 392.475 0.871 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000658779641 1187456779 /nfs/dbraw/zinc/45/67/79/1187456779.db2.gz SNBIPQMHVTZZRZ-HNNXBMFYSA-N 0 3 376.457 0.693 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(C(=O)c2ccccc2OC)CC1 ZINC000588982502 1187456788 /nfs/dbraw/zinc/45/67/88/1187456788.db2.gz HSDVBTXCZGFMEE-UHFFFAOYSA-N 0 3 378.473 0.741 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000935449955 1187457913 /nfs/dbraw/zinc/45/79/13/1187457913.db2.gz ZRMVQSBQQUDWQB-MSOLQXFVSA-N 0 3 382.549 0.399 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000658779430 1187459906 /nfs/dbraw/zinc/45/99/06/1187459906.db2.gz RIIYPDIKUVKZNH-OAHLLOKOSA-N 0 3 394.497 0.666 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000658779053 1187460501 /nfs/dbraw/zinc/46/05/01/1187460501.db2.gz NIPGXFWVGKNJHN-OAHLLOKOSA-N 0 3 382.486 0.275 20 0 GCADHN Cc1ccc(NC(=O)CSCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000569826347 1187461107 /nfs/dbraw/zinc/46/11/07/1187461107.db2.gz TVHBXQYKOARVHC-LSDHHAIUSA-N 0 3 376.482 0.437 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CC[C@H](Oc3ccccc3)C2)CC1(C)C ZINC000569843626 1187463572 /nfs/dbraw/zinc/46/35/72/1187463572.db2.gz IQGNEOIXJROBEI-SFHVURJKSA-N 0 3 388.512 0.809 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000569848101 1187463905 /nfs/dbraw/zinc/46/39/05/1187463905.db2.gz PIXVYEZFEWFGEJ-KRWDZBQOSA-N 0 3 398.529 0.337 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/nfs/dbraw/zinc/49/70/98/1187497098.db2.gz OYRCVEZROFZYPF-UHFFFAOYSA-N 0 3 383.514 0.809 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000612484286 1187505552 /nfs/dbraw/zinc/50/55/52/1187505552.db2.gz AGKDEBIIAJLAGH-ROUUACIJSA-N 0 3 380.533 0.404 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000612485513 1187505664 /nfs/dbraw/zinc/50/56/64/1187505664.db2.gz MBAHAJCXNFGDLZ-KRWDZBQOSA-N 0 3 390.532 0.301 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000612484455 1187505680 /nfs/dbraw/zinc/50/56/80/1187505680.db2.gz ALOQXUOLVUGWRJ-DLBZAZTESA-N 0 3 394.516 0.073 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000612482500 1187505781 /nfs/dbraw/zinc/50/57/81/1187505781.db2.gz NTFRERWFVVJZTC-GFCCVEGCSA-N 0 3 378.395 0.414 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)CN3CCC(C)CC3)CC2)on1 ZINC000612487313 1187506181 /nfs/dbraw/zinc/50/61/81/1187506181.db2.gz RTFJPNRCUKMXIA-KRWDZBQOSA-N 0 3 391.516 0.864 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000612488180 1187506741 /nfs/dbraw/zinc/50/67/41/1187506741.db2.gz YBASFWUKKDRKSJ-MRXNPFEDSA-N 0 3 390.484 0.801 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000612488150 1187507051 /nfs/dbraw/zinc/50/70/51/1187507051.db2.gz XOINTGCSIVITQF-CQSZACIVSA-N 0 3 378.439 0.930 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)n1 ZINC000570050268 1187511864 /nfs/dbraw/zinc/51/18/64/1187511864.db2.gz ZFNBAVCMHFNNTC-HNNXBMFYSA-N 0 3 392.426 0.876 20 0 GCADHN O=C(Nc1cccc2c1OCCO2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000658800818 1187514421 /nfs/dbraw/zinc/51/44/21/1187514421.db2.gz ARCBEVAWRUGBFS-CQSZACIVSA-N 0 3 375.425 0.766 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000375967510 1187514535 /nfs/dbraw/zinc/51/45/35/1187514535.db2.gz CORUKEVTXYMBQW-ZOBUZTSGSA-N 0 3 391.493 0.025 20 0 GCADHN CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CCN1CCO 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QVRVJZRYOGIJEF-HNNXBMFYSA-N 0 3 379.457 0.283 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)NCc2ccc(OCCO)c(OC)c2)C1 ZINC000612551926 1187521233 /nfs/dbraw/zinc/52/12/33/1187521233.db2.gz QVRVJZRYOGIJEF-OAHLLOKOSA-N 0 3 379.457 0.283 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000612546584 1187522927 /nfs/dbraw/zinc/52/29/27/1187522927.db2.gz UGCFZEMVSLQTBA-MRXNPFEDSA-N 0 3 388.516 0.921 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N(CCOC)Cc2ccc3c(c2)OCO3)C1 ZINC000612547830 1187522955 /nfs/dbraw/zinc/52/29/55/1187522955.db2.gz HJACCTUZCFISQS-INIZCTEOSA-N 0 3 391.468 0.991 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCC(C(=O)NCCCOCC)CC2)C1 ZINC000612553072 1187525371 /nfs/dbraw/zinc/52/53/71/1187525371.db2.gz ZTYXGGMZHASKAQ-KRWDZBQOSA-N 0 3 396.532 0.368 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)N1C(=O)CCC1=O ZINC000612567905 1187529054 /nfs/dbraw/zinc/52/90/54/1187529054.db2.gz QRKQVPWPFYRAIW-ZDUSSCGKSA-N 0 3 386.452 0.860 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000612595332 1187535409 /nfs/dbraw/zinc/53/54/09/1187535409.db2.gz GQZKTYALYMDYEK-OALUTQOASA-N 0 3 387.480 0.956 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCOC2(CCCCC2)C1 ZINC000612595170 1187535484 /nfs/dbraw/zinc/53/54/84/1187535484.db2.gz SVZQPMGTGNGXKX-KRWDZBQOSA-N 0 3 379.501 0.918 20 0 GCADHN CC(C)OC[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 ZINC000612595437 1187535620 /nfs/dbraw/zinc/53/56/20/1187535620.db2.gz WTHMPBSAISFYEM-SJORKVTESA-N 0 3 383.489 0.008 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H]1n1ccnc1 ZINC000612596668 1187536595 /nfs/dbraw/zinc/53/65/95/1187536595.db2.gz RSUUCALZPVIGHF-BPQIPLTHSA-N 0 3 389.500 0.662 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCc2ccccc2[C@@H]1CO ZINC000612596611 1187536614 /nfs/dbraw/zinc/53/66/14/1187536614.db2.gz QHQDSPXMMJSIGT-MJGOQNOKSA-N 0 3 387.480 0.474 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000612598141 1187538555 /nfs/dbraw/zinc/53/85/55/1187538555.db2.gz SDTJIWFXRATSCF-SJLPKXTDSA-N 0 3 379.501 0.631 20 0 GCADHN C[C@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000612598849 1187539313 /nfs/dbraw/zinc/53/93/13/1187539313.db2.gz KEYFNZNTLPIYOO-ZOBUZTSGSA-N 0 3 394.516 0.262 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1F ZINC000570180746 1187543402 /nfs/dbraw/zinc/54/34/02/1187543402.db2.gz MTWKXTKSPUKWTK-KRWDZBQOSA-N 0 3 390.459 0.515 20 0 GCADHN CCN1CC[C@@H](NC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)NCCOC)C2)C1 ZINC000413869961 1187553171 /nfs/dbraw/zinc/55/31/71/1187553171.db2.gz ZKQOUUNZOGNFOX-HUUCEWRRSA-N 0 3 392.504 0.769 20 0 GCADHN NC(=O)c1cn(CCCCNC(=O)N2CCN(C3CCCCC3)CC2)nn1 ZINC000413874603 1187555113 /nfs/dbraw/zinc/55/51/13/1187555113.db2.gz IJYOQMMRPHUCQP-UHFFFAOYSA-N 0 3 377.493 0.817 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)OC)CC1 ZINC000612710163 1187560038 /nfs/dbraw/zinc/56/00/38/1187560038.db2.gz JXTWKPYOROMPCO-ZDUSSCGKSA-N 0 3 379.461 0.190 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)OC)CC1 ZINC000612710160 1187560244 /nfs/dbraw/zinc/56/02/44/1187560244.db2.gz JXTWKPYOROMPCO-CYBMUJFWSA-N 0 3 379.461 0.190 20 0 GCADHN Cn1cc(N2CCN(C(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)cn1 ZINC000584497854 1187570942 /nfs/dbraw/zinc/57/09/42/1187570942.db2.gz MPEBNNQEKMPQMM-MRXNPFEDSA-N 0 3 376.505 0.305 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000413907981 1187577730 /nfs/dbraw/zinc/57/77/30/1187577730.db2.gz UFDXQDUDLFZARZ-KRWDZBQOSA-N 0 3 389.500 0.157 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)CC1 ZINC000376125730 1187620330 /nfs/dbraw/zinc/62/03/30/1187620330.db2.gz DJUUQPWMTKHNBK-IAGOWNOFSA-N 0 3 380.514 0.377 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1=O ZINC000413980868 1187623951 /nfs/dbraw/zinc/62/39/51/1187623951.db2.gz RNUDOKMRBQYAEC-XJKSGUPXSA-N 0 3 376.432 0.457 20 0 GCADHN CCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCN(CC)[C@@H](C)C3)O2)C[C@@H]1C ZINC000612951520 1187624930 /nfs/dbraw/zinc/62/49/30/1187624930.db2.gz FXYNCBZQSKRLOZ-XLAORIBOSA-N 0 3 380.533 0.639 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ncccn3)n2CC2CC2)CC1 ZINC000612955650 1187626188 /nfs/dbraw/zinc/62/61/88/1187626188.db2.gz XMEOVHLRMQENKU-MRXNPFEDSA-N 0 3 396.499 0.888 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CCO)CC1 ZINC000658845811 1187640480 /nfs/dbraw/zinc/64/04/80/1187640480.db2.gz VBDNGKSOLWXVNP-SJORKVTESA-N 0 3 396.532 0.009 20 0 GCADHN CC(C)(C)n1nnc(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000613089044 1187661348 /nfs/dbraw/zinc/66/13/48/1187661348.db2.gz UNPPTZLKQXSMIH-IRXDYDNUSA-N 0 3 386.500 0.970 20 0 GCADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000613088854 1187662464 /nfs/dbraw/zinc/66/24/64/1187662464.db2.gz SVJQFYLOLSGDSE-HYVNUMGLSA-N 0 3 383.514 0.313 20 0 GCADHN CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000511425819 1187665558 /nfs/dbraw/zinc/66/55/58/1187665558.db2.gz NFVGRZPNCXOFCX-MRXNPFEDSA-N 0 3 385.486 0.699 20 0 GCADHN COCCOc1cccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000148645384 1187669080 /nfs/dbraw/zinc/66/90/80/1187669080.db2.gz WABWERRLULIMFY-UHFFFAOYSA-N 0 3 379.457 0.877 20 0 GCADHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cnn(C[C@H](O)CO)c2)cc1 ZINC000613172729 1187687446 /nfs/dbraw/zinc/68/74/46/1187687446.db2.gz IIYIHEBQPPOHFX-HKUYNNGSSA-N 0 3 388.468 0.812 20 0 GCADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cnn(C[C@H](O)CO)c2)cc1 ZINC000613172732 1187687890 /nfs/dbraw/zinc/68/78/90/1187687890.db2.gz IIYIHEBQPPOHFX-PKOBYXMFSA-N 0 3 388.468 0.812 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)N(C)C[C@@H]3C)n[nH]2)[C@H](C)CN1C ZINC000613189868 1187694208 /nfs/dbraw/zinc/69/42/08/1187694208.db2.gz ABSCTGCXNDFOIX-NMWPEEMBSA-N 0 3 376.505 0.739 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)N(C)C[C@@H]3C)[nH]n2)[C@H](C)CN1C ZINC000613189868 1187694214 /nfs/dbraw/zinc/69/42/14/1187694214.db2.gz ABSCTGCXNDFOIX-NMWPEEMBSA-N 0 3 376.505 0.739 20 0 GCADHN CN(C)Cc1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001024917555 1187695797 /nfs/dbraw/zinc/69/57/97/1187695797.db2.gz SLSNLBQIAUMGIJ-IRIQXGSBSA-N 0 3 399.491 0.473 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCCCC1 ZINC001024915599 1187696086 /nfs/dbraw/zinc/69/60/86/1187696086.db2.gz SYVAAQPZNAKZTA-CTISPVFFSA-N 0 3 391.512 0.362 20 0 GCADHN O=C(C(=O)N1CC[C@H](N2CCCC2)C1)N(CCN1CCOCC1)CC1CC1 ZINC000658883641 1187711293 /nfs/dbraw/zinc/71/12/93/1187711293.db2.gz RTWBEJNAIDBRGL-SFHVURJKSA-N 0 3 378.517 0.254 20 0 GCADHN CN(CC(=O)N1CCN(C)CC1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000636317809 1187720920 /nfs/dbraw/zinc/72/09/20/1187720920.db2.gz UYTMLGHAPZGSBL-UHFFFAOYSA-N 0 3 387.528 0.280 20 0 GCADHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)Cn1cccn1 ZINC000414140602 1187736227 /nfs/dbraw/zinc/73/62/27/1187736227.db2.gz QZJQDZSEBGMXOC-XLIONFOSSA-N 0 3 383.452 0.831 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@H]1O)N1CCCC1 ZINC001025000291 1187741832 /nfs/dbraw/zinc/74/18/32/1187741832.db2.gz FMODYKOFUWHKOP-BSDSXHPESA-N 0 3 386.496 0.747 20 0 GCADHN CS(=O)(=O)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000892552867 1187757532 /nfs/dbraw/zinc/75/75/32/1187757532.db2.gz FHRHETYRTGDJOU-ROUUACIJSA-N 0 3 395.525 0.972 20 0 GCADHN NS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000332736991 1187759509 /nfs/dbraw/zinc/75/95/09/1187759509.db2.gz YUVCFERQZMNZRG-SJORKVTESA-N 0 3 396.513 0.350 20 0 GCADHN CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccncc3CO)CC2)c1 ZINC000892554547 1187760056 /nfs/dbraw/zinc/76/00/56/1187760056.db2.gz LFISQDWFTCCENL-UHFFFAOYSA-N 0 3 375.450 0.940 20 0 GCADHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1n[nH]c(=O)n1CCc1ccccc1 ZINC000414221293 1187770561 /nfs/dbraw/zinc/77/05/61/1187770561.db2.gz KKURQQZBMLRWAN-NSHDSACASA-N 0 3 395.441 0.234 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000332786488 1187773097 /nfs/dbraw/zinc/77/30/97/1187773097.db2.gz UIXXGQJBLUWQSH-BRWVUGGUSA-N 0 3 399.557 0.839 20 0 GCADHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1nccn1-c1ccc(OC)cc1 ZINC000414227785 1187778044 /nfs/dbraw/zinc/77/80/44/1187778044.db2.gz XGSVDTIFXVAUMO-NSHDSACASA-N 0 3 380.426 0.889 20 0 GCADHN Cn1cc(-c2nc([C@H]3COCCN3C(=O)N[C@H]3CCN(C4CC4)C3)no2)cn1 ZINC000332863551 1187797401 /nfs/dbraw/zinc/79/74/01/1187797401.db2.gz CRCOKFATBYUBNY-DZGCQCFKSA-N 0 3 387.444 0.790 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCCn3nc(C(C)C)nc32)n1 ZINC000376409309 1187821940 /nfs/dbraw/zinc/82/19/40/1187821940.db2.gz SBMVANCOZNTVNX-LBPRGKRZSA-N 0 3 375.481 0.024 20 0 GCADHN Cc1cnn(C[C@H]2CN(C(=O)N[C@H](C)CCN3CCN(C)CC3)CCO2)c1 ZINC000186100916 1187824034 /nfs/dbraw/zinc/82/40/34/1187824034.db2.gz ZYKVRXQQQDRGEL-QZTJIDSGSA-N 0 3 378.521 0.628 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@H](O)CN[C@@H]1CCCc2c1cnn2CCO ZINC000647519422 1187827432 /nfs/dbraw/zinc/82/74/32/1187827432.db2.gz GSMVCAJFUHXKFG-NVXWUHKLSA-N 0 3 399.451 0.720 20 0 GCADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CN[C@@H]1CCCc2c1cnn2CCO ZINC000647519662 1187829152 /nfs/dbraw/zinc/82/91/52/1187829152.db2.gz SVAHGRPVYFHZJJ-SUMWQHHRSA-N 0 3 384.436 0.500 20 0 GCADHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1C[C@H](O)C1 ZINC000658983817 1187830395 /nfs/dbraw/zinc/83/03/95/1187830395.db2.gz DUAWGZFWGIIWBB-BRWVUGGUSA-N 0 3 383.452 0.908 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCO[C@@H](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000658987314 1187831508 /nfs/dbraw/zinc/83/15/08/1187831508.db2.gz VVQKXUFWQZJUHK-JTDSTZFVSA-N 0 3 393.528 0.972 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)n1 ZINC000658997259 1187836862 /nfs/dbraw/zinc/83/68/62/1187836862.db2.gz XXUWUSKVDKEQQK-UHFFFAOYSA-N 0 3 392.441 0.403 20 0 GCADHN CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659006505 1187841511 /nfs/dbraw/zinc/84/15/11/1187841511.db2.gz BMUMDECCIBBQKE-UHFFFAOYSA-N 0 3 383.405 0.895 20 0 GCADHN Cc1c(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cccc1S(=O)(=O)N(C)C ZINC000659016641 1187843345 /nfs/dbraw/zinc/84/33/45/1187843345.db2.gz KCALFPJFSCYMGP-UHFFFAOYSA-N 0 3 394.457 0.521 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000103122413 1187844610 /nfs/dbraw/zinc/84/46/10/1187844610.db2.gz QBJPTZXSJJNFAX-MRXNPFEDSA-N 0 3 388.468 0.395 20 0 GCADHN O=C([C@H]1CCCS1(=O)=O)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001143475217 1187867133 /nfs/dbraw/zinc/86/71/33/1187867133.db2.gz WNBJBMLEAIYCMJ-OAHLLOKOSA-N 0 3 390.469 0.277 20 0 GCADHN C[C@@H]1CO[C@@H](C)CN1CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000659093942 1187874191 /nfs/dbraw/zinc/87/41/91/1187874191.db2.gz FCUFVCXWTKWZTD-KGLIPLIRSA-N 0 3 376.457 0.333 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCO[C@H](c2ccnn2C)C1 ZINC000892648142 1187876036 /nfs/dbraw/zinc/87/60/36/1187876036.db2.gz COPXHWBVSLZCBF-SJORKVTESA-N 0 3 392.504 0.446 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1OC ZINC000659098474 1187876132 /nfs/dbraw/zinc/87/61/32/1187876132.db2.gz RUPNYVCTUWIBMB-UHFFFAOYSA-N 0 3 398.485 0.783 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCOC[C@H]1C[C@H]1CCCO1 ZINC000892649831 1187878130 /nfs/dbraw/zinc/87/81/30/1187878130.db2.gz NIDGXKCDRMBMKL-KURKYZTESA-N 0 3 396.532 0.909 20 0 GCADHN COC1(C(F)(F)F)CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892648975 1187878420 /nfs/dbraw/zinc/87/84/20/1187878420.db2.gz IGKAFYQYGBEMBX-LBPRGKRZSA-N 0 3 380.411 0.902 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)[C@@H]2C1 ZINC000892649529 1187879325 /nfs/dbraw/zinc/87/93/25/1187879325.db2.gz QDHJQZOCPOEVDE-OVYGPGRDSA-N 0 3 394.516 0.816 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@H](n3cc(C(=O)OC)nn3)C2)n1 ZINC000376488217 1187880818 /nfs/dbraw/zinc/88/08/18/1187880818.db2.gz YPLVAKYNTSKGKY-NSHDSACASA-N 0 3 389.464 0.765 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC3(CCC3)c3c2cccc3F)n1 ZINC000659111009 1187885511 /nfs/dbraw/zinc/88/55/11/1187885511.db2.gz WHJXCYLQURUZQK-UHFFFAOYSA-N 0 3 385.399 0.865 20 0 GCADHN CN(C)c1ccc(Cl)cc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659111022 1187885555 /nfs/dbraw/zinc/88/55/55/1187885555.db2.gz XCFBLIKHROKHIQ-UHFFFAOYSA-N 0 3 378.820 0.615 20 0 GCADHN Cc1nc(CC(C)C)c(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)s1 ZINC000659110799 1187886313 /nfs/dbraw/zinc/88/63/13/1187886313.db2.gz UJKNIKMEZXJRIO-UHFFFAOYSA-N 0 3 378.458 0.859 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2nc3c(s2)CCCCC3)n1 ZINC000659110446 1187886327 /nfs/dbraw/zinc/88/63/27/1187886327.db2.gz INSQSQFDNLIRHC-UHFFFAOYSA-N 0 3 376.442 0.621 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1 ZINC000659110849 1187886624 /nfs/dbraw/zinc/88/66/24/1187886624.db2.gz AGTDKYJMRNSLLS-UHFFFAOYSA-N 0 3 399.407 0.937 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1OC(F)F ZINC000659110481 1187886847 /nfs/dbraw/zinc/88/68/47/1187886847.db2.gz KDPHBCGPHQLQCD-UHFFFAOYSA-N 0 3 381.339 0.806 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCc3c2cccc3C(F)(F)F)n1 ZINC000659111088 1187887451 /nfs/dbraw/zinc/88/74/51/1187887451.db2.gz ZFENVKPULJCLBU-UHFFFAOYSA-N 0 3 395.341 0.865 20 0 GCADHN CCOc1ccc(Cl)c(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659110416 1187887685 /nfs/dbraw/zinc/88/76/85/1187887685.db2.gz GYWJFQSMXPRNQE-UHFFFAOYSA-N 0 3 379.804 0.948 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCN(c2c(F)cccc2F)CC1 ZINC000647559128 1187888427 /nfs/dbraw/zinc/88/84/27/1187888427.db2.gz PHQMUQQCENWNRG-UHFFFAOYSA-N 0 3 398.454 0.650 20 0 GCADHN CN(C)c1c(Cl)cccc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659111776 1187888682 /nfs/dbraw/zinc/88/86/82/1187888682.db2.gz JIHFLXRXNVSGBN-UHFFFAOYSA-N 0 3 378.820 0.615 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccccc2OCC(F)(F)F)n1 ZINC000659113904 1187889926 /nfs/dbraw/zinc/88/99/26/1187889926.db2.gz YZXPDEJOIXNBCO-UHFFFAOYSA-N 0 3 399.329 0.837 20 0 GCADHN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000566479941 1187897227 /nfs/dbraw/zinc/89/72/27/1187897227.db2.gz DCTSRDAAMGTPGD-JTDSTZFVSA-N 0 3 382.468 0.926 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2C2CCC2)CC1 ZINC000647575839 1187898110 /nfs/dbraw/zinc/89/81/10/1187898110.db2.gz NANOHDVCRLCSRO-MSOLQXFVSA-N 0 3 390.528 0.933 20 0 GCADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CCCN(C3CCCC3)CC1)CCO2 ZINC000659132359 1187900466 /nfs/dbraw/zinc/90/04/66/1187900466.db2.gz CCLAXXJQASIOKA-JXFKEZNVSA-N 0 3 379.501 0.870 20 0 GCADHN CC1CCC(N2CCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)CC2)CC1 ZINC000115481321 1187903760 /nfs/dbraw/zinc/90/37/60/1187903760.db2.gz PPSJFPKNYVQQHA-UHFFFAOYSA-N 0 3 383.518 0.421 20 0 GCADHN CN(C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCN(C)C1 ZINC000892668253 1187910998 /nfs/dbraw/zinc/91/09/98/1187910998.db2.gz DWPGXKMSLKXTHC-MRXNPFEDSA-N 0 3 389.504 0.251 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000580180256 1187917204 /nfs/dbraw/zinc/91/72/04/1187917204.db2.gz NNSNQBRZSUIBDK-AWEZNQCLSA-N 0 3 383.452 0.834 20 0 GCADHN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000588007519 1187918286 /nfs/dbraw/zinc/91/82/86/1187918286.db2.gz WPESXYNYRNZYAW-INIZCTEOSA-N 0 3 396.513 0.315 20 0 GCADHN CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000973272179 1187942567 /nfs/dbraw/zinc/94/25/67/1187942567.db2.gz DUUDGXBDWNTGIZ-UGDFAFBOSA-N 0 3 379.501 0.674 20 0 GCADHN Cc1ccc(CN(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc1 ZINC000659325022 1187944045 /nfs/dbraw/zinc/94/40/45/1187944045.db2.gz XBAWRQZSFHEVKB-UHFFFAOYSA-N 0 3 387.484 0.115 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1=O ZINC000178208202 1187944078 /nfs/dbraw/zinc/94/40/78/1187944078.db2.gz MRGOLGLPGWHVDG-XJKSGUPXSA-N 0 3 392.887 0.972 20 0 GCADHN O=C(C(=O)N1CCN(c2ccccc2)C(=O)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000659345416 1187948341 /nfs/dbraw/zinc/94/83/41/1187948341.db2.gz PELDLTQHEZGCPG-SFHVURJKSA-N 0 3 384.480 0.949 20 0 GCADHN Cc1nccnc1N1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000376589769 1187956505 /nfs/dbraw/zinc/95/65/05/1187956505.db2.gz JXCGTJNKCOPLSW-INIZCTEOSA-N 0 3 375.521 0.643 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1F ZINC000659432030 1187957873 /nfs/dbraw/zinc/95/78/73/1187957873.db2.gz VGEHYTNPBRJNEY-UHFFFAOYSA-N 0 3 376.392 0.318 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000782921054 1187958937 /nfs/dbraw/zinc/95/89/37/1187958937.db2.gz USTKOQWZYSQGSI-CQSZACIVSA-N 0 3 378.473 0.862 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1F ZINC000376593147 1187959783 /nfs/dbraw/zinc/95/97/83/1187959783.db2.gz QGSHHKCGLCLTAR-QWHCGFSZSA-N 0 3 386.449 0.719 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCN(C(=O)C2CCC2)C2CC2)n1 ZINC000659452268 1187960390 /nfs/dbraw/zinc/96/03/90/1187960390.db2.gz OHSRPHXKBAGQNQ-UHFFFAOYSA-N 0 3 376.461 0.621 20 0 GCADHN Cc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(N2CCOCC2)c1 ZINC000659468407 1187962816 /nfs/dbraw/zinc/96/28/16/1187962816.db2.gz WOTKGSDFFQGPKM-UHFFFAOYSA-N 0 3 386.456 0.785 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2ccncc2OCC(F)(F)F)n1 ZINC000659490669 1187965255 /nfs/dbraw/zinc/96/52/55/1187965255.db2.gz BLETVWLFHRUXJS-UHFFFAOYSA-N 0 3 386.334 0.976 20 0 GCADHN CC(C)NC(=O)NCCN1CC[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001481104486 1187972348 /nfs/dbraw/zinc/97/23/48/1187972348.db2.gz XMPLNHLNASKSDW-LUKYLMHMSA-N 0 3 382.505 0.184 20 0 GCADHN CC(C)(C)N1C[C@@H](CNC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1=O ZINC000659608325 1187975922 /nfs/dbraw/zinc/97/59/22/1187975922.db2.gz MVPQFBONTDBPNB-HIFRSBDPSA-N 0 3 377.493 0.730 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)n1 ZINC000659628397 1187977042 /nfs/dbraw/zinc/97/70/42/1187977042.db2.gz BVWPFOGNZQUCEW-CQSZACIVSA-N 0 3 384.440 0.489 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CCNCc1cnnn1C ZINC001104674793 1187977358 /nfs/dbraw/zinc/97/73/58/1187977358.db2.gz DPIHDMMWVXQGDP-TXCZRRACSA-N 0 3 392.504 0.025 20 0 GCADHN CN(C(=O)[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1)c1ccccc1 ZINC000659628974 1187977702 /nfs/dbraw/zinc/97/77/02/1187977702.db2.gz BEWCRDMTOXFLRF-CYBMUJFWSA-N 0 3 384.440 0.835 20 0 GCADHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659631402 1187978323 /nfs/dbraw/zinc/97/83/23/1187978323.db2.gz DSFFEOUNWONHMJ-LBPRGKRZSA-N 0 3 378.477 0.725 20 0 GCADHN C[C@@](O)(C1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1)C(F)(F)F ZINC000659630680 1187978531 /nfs/dbraw/zinc/97/85/31/1187978531.db2.gz LSVZCJCBTJBLIT-CQSZACIVSA-N 0 3 377.367 0.876 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000659631185 1187978751 /nfs/dbraw/zinc/97/87/51/1187978751.db2.gz AYVVZFXNVAFKGT-UHFFFAOYSA-N 0 3 388.403 0.448 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000659674211 1187993803 /nfs/dbraw/zinc/99/38/03/1187993803.db2.gz RDWFQDNKQKOHTJ-CJNGLKHVSA-N 0 3 399.451 0.541 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccccc2N2CCCC2)n1 ZINC000659674460 1187993830 /nfs/dbraw/zinc/99/38/30/1187993830.db2.gz SVGDXZYEBBPIIC-UHFFFAOYSA-N 0 3 384.440 0.174 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN ZINC000659684368 1187995666 /nfs/dbraw/zinc/99/56/66/1187995666.db2.gz HPXNQDROJMAPEI-OAGGEKHMSA-N 0 3 395.525 0.941 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000659686024 1187996944 /nfs/dbraw/zinc/99/69/44/1187996944.db2.gz BEKWSXGHLVGXDJ-NXEZZACHSA-N 0 3 389.378 0.742 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000659686035 1187996980 /nfs/dbraw/zinc/99/69/80/1187996980.db2.gz BEKWSXGHLVGXDJ-ZJUUUORDSA-N 0 3 389.378 0.742 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1OC(F)F ZINC000659691062 1187999945 /nfs/dbraw/zinc/99/99/45/1187999945.db2.gz GORAALZDMRJYDB-SECBINFHSA-N 0 3 395.366 0.736 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC000659690956 1188000140 /nfs/dbraw/zinc/00/01/40/1188000140.db2.gz KUZIKSMGSCIUPF-YOEHRIQHSA-N 0 3 385.424 0.294 20 0 GCADHN COc1ccc(Cl)cc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659692300 1188000735 /nfs/dbraw/zinc/00/07/35/1188000735.db2.gz ZPTALCVOJIAWMH-UHFFFAOYSA-N 0 3 379.804 0.236 20 0 GCADHN CCCCOc1cccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659692536 1188001078 /nfs/dbraw/zinc/00/10/78/1188001078.db2.gz SFDSJOSIETUHKS-UHFFFAOYSA-N 0 3 387.440 0.752 20 0 GCADHN CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659697432 1188001400 /nfs/dbraw/zinc/00/14/00/1188001400.db2.gz GVCOADHIJYHTRT-GFCCVEGCSA-N 0 3 387.440 0.922 20 0 GCADHN COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659703855 1188005815 /nfs/dbraw/zinc/00/58/15/1188005815.db2.gz ISSYVBMDQAYGKQ-VIFPVBQESA-N 0 3 377.376 0.282 20 0 GCADHN C[C@H](CNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)CN1CCN(C)CC1 ZINC000135242792 1188006948 /nfs/dbraw/zinc/00/69/48/1188006948.db2.gz DDRWOJWHKCSEFB-SJLPKXTDSA-N 0 3 379.549 0.960 20 0 GCADHN COc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc(S(C)(=O)=O)c1 ZINC000376688183 1188017438 /nfs/dbraw/zinc/01/74/38/1188017438.db2.gz OAGJXJJUGSGIIF-CQSZACIVSA-N 0 3 395.481 0.734 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCNCC2)cc1 ZINC000415310162 1188029587 /nfs/dbraw/zinc/02/95/87/1188029587.db2.gz OHNWPJFQUUKFLG-UHFFFAOYSA-N 0 3 382.486 0.476 20 0 GCADHN CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909322537 1188029956 /nfs/dbraw/zinc/02/99/56/1188029956.db2.gz CVDPNAGPMZXBMT-QGZVFWFLSA-N 0 3 395.548 0.782 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCCNCC2)c(C)c1S(=O)(=O)NC1CC1 ZINC000415319550 1188033259 /nfs/dbraw/zinc/03/32/59/1188033259.db2.gz PDHNQADWBGURLL-UHFFFAOYSA-N 0 3 394.497 0.505 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000377482355 1188034105 /nfs/dbraw/zinc/03/41/05/1188034105.db2.gz VMKSNCDKCDOUHL-GJZGRUSLSA-N 0 3 383.470 0.462 20 0 GCADHN CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415331000 1188046569 /nfs/dbraw/zinc/04/65/69/1188046569.db2.gz ZJNDIPNLHLOKKC-UHFFFAOYSA-N 0 3 396.513 0.665 20 0 GCADHN CCOC(=O)c1c(NC(=O)NC[C@@H]2CNCCO2)cc(OC)c(OC)c1OC ZINC000415345186 1188055044 /nfs/dbraw/zinc/05/50/44/1188055044.db2.gz AAAOJLFMHGNMMY-NSHDSACASA-N 0 3 397.428 0.999 20 0 GCADHN CC(C)[C@H](C(=O)NCC(=O)NCCN1CCCCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000909323069 1188055700 /nfs/dbraw/zinc/05/57/00/1188055700.db2.gz HPKNRLWYPBNKGG-ZIFCJYIRSA-N 0 3 382.549 0.839 20 0 GCADHN Cc1nc2ccnn2c(C)c1CCC(=O)NCC(=O)NCCN1CCCCC1 ZINC000909324594 1188059306 /nfs/dbraw/zinc/05/93/06/1188059306.db2.gz KNJAATITZJAAKL-UHFFFAOYSA-N 0 3 386.500 0.997 20 0 GCADHN O=C(CNC(=O)c1ccccc1OC(F)F)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377513720 1188060520 /nfs/dbraw/zinc/06/05/20/1188060520.db2.gz VUBOPCKYLHJENM-QWHCGFSZSA-N 0 3 383.395 0.997 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000415399532 1188071385 /nfs/dbraw/zinc/07/13/85/1188071385.db2.gz YLUDRKUUINKVRT-GDLCADMTSA-N 0 3 375.429 0.672 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000377553827 1188072463 /nfs/dbraw/zinc/07/24/63/1188072463.db2.gz RETWBRZGVBCBAL-UHFFFAOYSA-N 0 3 390.532 0.958 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000270845476 1188074663 /nfs/dbraw/zinc/07/46/63/1188074663.db2.gz IYWGPLMKFVMBDU-UHFFFAOYSA-N 0 3 386.399 0.891 20 0 GCADHN CN(C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CC(O)C1 ZINC000545393528 1188080629 /nfs/dbraw/zinc/08/06/29/1188080629.db2.gz JGLDRIPWPGQARB-UHFFFAOYSA-N 0 3 388.468 0.304 20 0 GCADHN COCCN1CC[C@H](NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1 ZINC000377586331 1188082240 /nfs/dbraw/zinc/08/22/40/1188082240.db2.gz UROPIUSOUOZHDO-QEEYODRMSA-N 0 3 394.516 0.960 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCc2cccnc2N2CCN(C)CC2)C[C@@H](C)O1 ZINC000644530708 1188083343 /nfs/dbraw/zinc/08/33/43/1188083343.db2.gz HVKUJPVJNCNLOC-LMMKCTJWSA-N 0 3 377.533 0.393 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)NCCCN3C(=O)CNC3=O)CC2)C[C@@H](C)O1 ZINC000377591071 1188084691 /nfs/dbraw/zinc/08/46/91/1188084691.db2.gz OHTNGAFQURCAGB-HUUCEWRRSA-N 0 3 395.504 0.459 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000377602211 1188085422 /nfs/dbraw/zinc/08/54/22/1188085422.db2.gz PCYRJMJPUGZLNS-GFCCVEGCSA-N 0 3 387.488 0.578 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[C@H](CC(N)=O)C1 ZINC000377598949 1188085508 /nfs/dbraw/zinc/08/55/08/1188085508.db2.gz CKFFHRGIUOCLAL-YNEHKIRRSA-N 0 3 382.486 0.097 20 0 GCADHN CC[C@H](NC[C@@H](O)COc1c(OC)cccc1OC)C(=O)N1CCOCC1 ZINC000644586081 1188089990 /nfs/dbraw/zinc/08/99/90/1188089990.db2.gz ALCOCQSKOOTYJE-CABCVRRESA-N 0 3 382.457 0.671 20 0 GCADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN[C@@H]1CCN(C2CCOCC2)C1=O ZINC000644582118 1188090794 /nfs/dbraw/zinc/09/07/94/1188090794.db2.gz YWSWPFJNYCTQRK-RHSMWYFYSA-N 0 3 387.436 0.013 20 0 GCADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000377650977 1188094435 /nfs/dbraw/zinc/09/44/35/1188094435.db2.gz CKOFAPXCNAAPDG-HNNXBMFYSA-N 0 3 382.486 0.227 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccc(-c3cn(C)nn3)c2)CC1 ZINC000565240887 1188113683 /nfs/dbraw/zinc/11/36/83/1188113683.db2.gz IUINXAPEBZDJBM-UHFFFAOYSA-N 0 3 386.456 0.648 20 0 GCADHN CCN(CC)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000377721006 1188114494 /nfs/dbraw/zinc/11/44/94/1188114494.db2.gz DOPGXOICCSAFSN-CVEARBPZSA-N 0 3 375.473 0.846 20 0 GCADHN O=C(N[C@@H]1[C@H]2CN(C[C@H](O)CN3CCCC3=O)C[C@H]21)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001025920080 1188115199 /nfs/dbraw/zinc/11/51/99/1188115199.db2.gz PHSCOMKLTYCFCL-HOZUDEIFSA-N 0 3 375.513 0.842 20 0 GCADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NCC(F)(F)CN ZINC000415604439 1188121762 /nfs/dbraw/zinc/12/17/62/1188121762.db2.gz FRXCASQQEVBFGY-UHFFFAOYSA-N 0 3 399.442 0.486 20 0 GCADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377783171 1188136705 /nfs/dbraw/zinc/13/67/05/1188136705.db2.gz OEKCNPIOVCBECC-HZPDHXFCSA-N 0 3 389.456 0.746 20 0 GCADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377783165 1188136727 /nfs/dbraw/zinc/13/67/27/1188136727.db2.gz OEKCNPIOVCBECC-CVEARBPZSA-N 0 3 389.456 0.746 20 0 GCADHN CN1C(=O)COc2ccc(NC(=O)C(=O)NC[C@H]3NCCc4ccccc43)cc21 ZINC000415704213 1188144372 /nfs/dbraw/zinc/14/43/72/1188144372.db2.gz GKEVFTPHHMDMJP-MRXNPFEDSA-N 0 3 394.431 0.984 20 0 GCADHN Cn1c2ccc(NC(=O)C(=O)NC[C@H]3NCCc4ccccc43)cc2n(C)c1=O ZINC000415712349 1188147100 /nfs/dbraw/zinc/14/71/00/1188147100.db2.gz QVWWURDATCXGGP-MRXNPFEDSA-N 0 3 393.447 0.819 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000415711398 1188149022 /nfs/dbraw/zinc/14/90/22/1188149022.db2.gz PMMROWBQBCLDCM-INIZCTEOSA-N 0 3 380.404 0.959 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000549348906 1188155109 /nfs/dbraw/zinc/15/51/09/1188155109.db2.gz QPNZBJXJOWDYRJ-GOEBONIOSA-N 0 3 388.468 0.965 20 0 GCADHN CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000377860401 1188158076 /nfs/dbraw/zinc/15/80/76/1188158076.db2.gz JZMTVPBKUVVOBD-IAGOWNOFSA-N 0 3 381.498 0.719 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 ZINC000415773506 1188161494 /nfs/dbraw/zinc/16/14/94/1188161494.db2.gz VZTKERANLVLIAS-FZMZJTMJSA-N 0 3 377.445 0.526 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896746 1188165579 /nfs/dbraw/zinc/16/55/79/1188165579.db2.gz AHMBOIRVGQQREP-RTBURBONSA-N 0 3 393.576 0.604 20 0 GCADHN C[C@H](CNC(=O)N1CCNC(=O)[C@H]1c1cccs1)CN1CCN(C)CC1 ZINC000377917515 1189370510 /nfs/dbraw/zinc/37/05/10/1189370510.db2.gz QHVNNGLVGQJKTR-GDBMZVCRSA-N 0 3 379.530 0.814 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000415837362 1189376093 /nfs/dbraw/zinc/37/60/93/1189376093.db2.gz KNHANKILBOOVOS-OAHLLOKOSA-N 0 3 387.440 0.914 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000415853785 1189382354 /nfs/dbraw/zinc/38/23/54/1189382354.db2.gz VAJAWHCIPDTGEE-LBPRGKRZSA-N 0 3 397.357 0.934 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000584543464 1189386874 /nfs/dbraw/zinc/38/68/74/1189386874.db2.gz LEGJSOCRYGZAQB-GOSISDBHSA-N 0 3 396.495 0.414 20 0 GCADHN COC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415857070 1189387082 /nfs/dbraw/zinc/38/70/82/1189387082.db2.gz CCNPCNIMPCGNEK-GFCCVEGCSA-N 0 3 383.470 0.776 20 0 GCADHN COC(=O)c1c2c(sc1NC(=O)C(=O)NC[C@@H]1CNCCO1)CCCC2 ZINC000415866640 1189388484 /nfs/dbraw/zinc/38/84/84/1189388484.db2.gz OHEWGNDEKHCGOO-JTQLQIEISA-N 0 3 381.454 0.457 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@H]2CNCCO2)nn1-c1ccccc1Cl ZINC000415868030 1189388897 /nfs/dbraw/zinc/38/88/97/1189388897.db2.gz PWQSOBAOTGPIKC-GFCCVEGCSA-N 0 3 377.832 0.877 20 0 GCADHN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415868150 1189388997 /nfs/dbraw/zinc/38/89/97/1189388997.db2.gz QAIIEHURMGDMQE-DGCLKSJQSA-N 0 3 385.848 0.797 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000415868222 1189389492 /nfs/dbraw/zinc/38/94/92/1189389492.db2.gz QEAOQHHYPXRJAY-QGZVFWFLSA-N 0 3 383.452 0.930 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c2ccccc2O1 ZINC000415876965 1189392798 /nfs/dbraw/zinc/39/27/98/1189392798.db2.gz HDFKRQZFFZBVAM-DZGCQCFKSA-N 0 3 384.440 0.714 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000415872243 1189392906 /nfs/dbraw/zinc/39/29/06/1189392906.db2.gz WGVDUJNTXQTLLK-QGZVFWFLSA-N 0 3 383.452 0.868 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@@H]2CNCCO2)cnn1-c1ccc(Cl)cc1 ZINC000415871980 1189393529 /nfs/dbraw/zinc/39/35/29/1189393529.db2.gz VTSUOFJSTNXSCS-AWEZNQCLSA-N 0 3 377.832 0.877 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@H]2CNCCO2)cnn1-c1ccc(Cl)cc1 ZINC000415871981 1189394035 /nfs/dbraw/zinc/39/40/35/1189394035.db2.gz VTSUOFJSTNXSCS-CQSZACIVSA-N 0 3 377.832 0.877 20 0 GCADHN C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)CC1(C)OCCO1 ZINC000378178016 1189437371 /nfs/dbraw/zinc/43/73/71/1189437371.db2.gz LWWIWYRMTCDCJS-HOTGVXAUSA-N 0 3 382.505 0.724 20 0 GCADHN COc1cc(OC)c(OC)cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000378184082 1189437955 /nfs/dbraw/zinc/43/79/55/1189437955.db2.gz LJPYXWMIXNZXNG-QWHCGFSZSA-N 0 3 393.440 0.630 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NC(C)C)c(C)c2)CC1 ZINC000049220134 1189439192 /nfs/dbraw/zinc/43/91/92/1189439192.db2.gz GEUGXGNBZHWGPZ-UHFFFAOYSA-N 0 3 389.500 0.716 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)CC1 ZINC000659915617 1189449466 /nfs/dbraw/zinc/44/94/66/1189449466.db2.gz USZXLALTICZYRA-QZTJIDSGSA-N 0 3 391.578 0.764 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000041720334 1189457235 /nfs/dbraw/zinc/45/72/35/1189457235.db2.gz ROXQKMCITDWWAQ-UHFFFAOYSA-N 0 3 385.472 0.350 20 0 GCADHN O=C(COc1ccc(CCNC(=O)[C@H]2CN3CCN2CCC3)cc1)NC1CC1 ZINC000378305866 1189468400 /nfs/dbraw/zinc/46/84/00/1189468400.db2.gz NCXWRPLILJMHKP-LJQANCHMSA-N 0 3 386.496 0.393 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000378309190 1189471733 /nfs/dbraw/zinc/47/17/33/1189471733.db2.gz DZNRTVDLOUZJFM-SFHVURJKSA-N 0 3 394.541 0.722 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC[C@H]1N1CCN(C)CC1 ZINC000378314615 1189473850 /nfs/dbraw/zinc/47/38/50/1189473850.db2.gz HSALOJVUNAHISX-GDBMZVCRSA-N 0 3 398.529 0.427 20 0 GCADHN O=C(COc1ccc(F)cc1)N1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000378313225 1189474062 /nfs/dbraw/zinc/47/40/62/1189474062.db2.gz SFHWFQNOODBEJE-GOSISDBHSA-N 0 3 390.459 0.265 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000378314620 1189474742 /nfs/dbraw/zinc/47/47/42/1189474742.db2.gz HSALOJVUNAHISX-HOCLYGCPSA-N 0 3 398.529 0.427 20 0 GCADHN Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)C2)cn1 ZINC000893218452 1189493330 /nfs/dbraw/zinc/49/33/30/1189493330.db2.gz BXQFVQGNUJSPJR-SZMVWBNQSA-N 0 3 376.505 0.630 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)CCCn1ccc(C(=O)OC)n1 ZINC000893225911 1189497910 /nfs/dbraw/zinc/49/79/10/1189497910.db2.gz JZRYJPMUAQHLDD-GOSISDBHSA-N 0 3 382.461 0.256 20 0 GCADHN CCN1CCN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1=O ZINC000363822186 1189507448 /nfs/dbraw/zinc/50/74/48/1189507448.db2.gz JJZIRTCJDYKOME-UHFFFAOYSA-N 0 3 382.468 0.868 20 0 GCADHN COCCO[C@]12CCC[C@@]1(NC(=O)NC[C@@H](C)CN1CCN(C)CC1)CCO2 ZINC000893237506 1189508804 /nfs/dbraw/zinc/50/88/04/1189508804.db2.gz NGSLBNJSGUOUME-MISYRCLQSA-N 0 3 398.548 0.871 20 0 GCADHN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000363835644 1189513265 /nfs/dbraw/zinc/51/32/65/1189513265.db2.gz YWLMSESCTDLZMI-HZPDHXFCSA-N 0 3 398.467 0.802 20 0 GCADHN C[C@H]1CCSCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660000925 1189519066 /nfs/dbraw/zinc/51/90/66/1189519066.db2.gz JYVHFEVDRZEGAA-HNNXBMFYSA-N 0 3 382.530 0.107 20 0 GCADHN CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(C(=O)N[C@@H](C)CN2CCN(C)CC2)C1 ZINC000567929400 1189525404 /nfs/dbraw/zinc/52/54/04/1189525404.db2.gz PIZGFLICSBDYNQ-IMJJTQAJSA-N 0 3 391.520 0.789 20 0 GCADHN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)N[C@@H](C)CN2CCN(C)CC2)C1 ZINC000567929400 1189525408 /nfs/dbraw/zinc/52/54/08/1189525408.db2.gz PIZGFLICSBDYNQ-IMJJTQAJSA-N 0 3 391.520 0.789 20 0 GCADHN CNS(=O)(=O)c1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000660013693 1189529941 /nfs/dbraw/zinc/52/99/41/1189529941.db2.gz TWJRMNNLGJQAPH-KRWDZBQOSA-N 0 3 380.514 0.333 20 0 GCADHN COCC1(O)CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000660034349 1189544259 /nfs/dbraw/zinc/54/42/59/1189544259.db2.gz FJMJODHDOFSDBA-GOSISDBHSA-N 0 3 389.496 0.719 20 0 GCADHN C[C@H](O)CN1CCN(c2ccnc(N3CCN(C[C@H](C)O)C[C@H]3C)n2)[C@H](C)C1 ZINC000893258903 1189549803 /nfs/dbraw/zinc/54/98/03/1189549803.db2.gz MCTZQDVNTOGFTO-BDXSIMOUSA-N 0 3 392.548 0.259 20 0 GCADHN C[C@H](O)CN1CCN(c2ccnc(N3CCN(C[C@H](C)O)C[C@@H]3C)n2)[C@H](C)C1 ZINC000893258905 1189550115 /nfs/dbraw/zinc/55/01/15/1189550115.db2.gz MCTZQDVNTOGFTO-OWSLCNJRSA-N 0 3 392.548 0.259 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000247120435 1189574704 /nfs/dbraw/zinc/57/47/04/1189574704.db2.gz PRGHOVAVKGBUAD-RDJZCZTQSA-N 0 3 376.501 0.543 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000363954218 1189585970 /nfs/dbraw/zinc/58/59/70/1189585970.db2.gz VOLLVZRFHYDXAW-GJZGRUSLSA-N 0 3 386.518 0.105 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000363954220 1189585980 /nfs/dbraw/zinc/58/59/80/1189585980.db2.gz VOLLVZRFHYDXAW-LSDHHAIUSA-N 0 3 386.518 0.105 20 0 GCADHN CC(C)C[C@@H](CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)N1CCOCC1 ZINC000416934035 1189594550 /nfs/dbraw/zinc/59/45/50/1189594550.db2.gz CLCDLFNJVIDRRI-MSOLQXFVSA-N 0 3 393.536 0.830 20 0 GCADHN CCC[C@H]1CNCCN1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000416946723 1189599372 /nfs/dbraw/zinc/59/93/72/1189599372.db2.gz ISULQYJEBZXQGA-KRWDZBQOSA-N 0 3 375.521 0.772 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C[C@@H](C)O1 ZINC000416949726 1189600103 /nfs/dbraw/zinc/60/01/03/1189600103.db2.gz QQMZPXQFLNZXKF-KZNAEPCWSA-N 0 3 395.548 0.339 20 0 GCADHN O=C(Cn1nc2n(c1=O)CCCC2)NCc1ccccc1CN1CCC(O)CC1 ZINC000651418263 1189608775 /nfs/dbraw/zinc/60/87/75/1189608775.db2.gz FKORRIRYKQDMSL-UHFFFAOYSA-N 0 3 399.495 0.654 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)CCN2C1=O ZINC000584666131 1189616526 /nfs/dbraw/zinc/61/65/26/1189616526.db2.gz LGPVICZRPKONMK-IAGOWNOFSA-N 0 3 385.468 0.245 20 0 GCADHN O=C(NCCCn1nc2n(c1=O)CCCC2)NC[C@H]1NCCc2ccccc21 ZINC000417122666 1189619612 /nfs/dbraw/zinc/61/96/12/1189619612.db2.gz BFGKJNMUQIHAEW-QGZVFWFLSA-N 0 3 384.484 0.957 20 0 GCADHN 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/nfs/dbraw/zinc/92/74/82/1189927482.db2.gz TZWTVKNFTPXCKD-ZJPYXAASSA-N 0 3 384.480 0.543 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(CC(N)=O)cc2)CC1 ZINC000643171430 1189934363 /nfs/dbraw/zinc/93/43/63/1189934363.db2.gz UNGNHHHYWKXTDX-KRWDZBQOSA-N 0 3 387.484 0.162 20 0 GCADHN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660713385 1189939304 /nfs/dbraw/zinc/93/93/04/1189939304.db2.gz RQSJMTKVBLASPP-OLZOCXBDSA-N 0 3 378.395 0.702 20 0 GCADHN O=S(=O)(NCc1ccccc1CN1CCC[C@@H]1CO)N1CCCOCC1 ZINC000651636116 1189949779 /nfs/dbraw/zinc/94/97/79/1189949779.db2.gz YOPYFHLBWMLTBX-GOSISDBHSA-N 0 3 383.514 0.700 20 0 GCADHN CCNS(=O)(=O)c1cccc(C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000120620265 1189950727 /nfs/dbraw/zinc/95/07/27/1189950727.db2.gz LITJQKPOYPTIEZ-UHFFFAOYSA-N 0 3 382.530 0.742 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000660852848 1189956263 /nfs/dbraw/zinc/95/62/63/1189956263.db2.gz JHPOGPTUWXSIQJ-XHSDSOJGSA-N 0 3 379.505 0.239 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000660853170 1189956416 /nfs/dbraw/zinc/95/64/16/1189956416.db2.gz RJXKNHLJOBQRGM-DLBZAZTESA-N 0 3 381.521 0.045 20 0 GCADHN COc1ccc2nccc(N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)c2c1 ZINC000893405972 1189964567 /nfs/dbraw/zinc/96/45/67/1189964567.db2.gz IQSSWNFDSBERLL-UHFFFAOYSA-N 0 3 382.424 0.710 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000660993428 1189979695 /nfs/dbraw/zinc/97/96/95/1189979695.db2.gz GPACONGUTBANDY-BBWFWOEESA-N 0 3 376.501 0.400 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000647706022 1189992189 /nfs/dbraw/zinc/99/21/89/1189992189.db2.gz ALMHPTJJKHMKOV-HOTGVXAUSA-N 0 3 381.498 0.654 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000647706023 1189992471 /nfs/dbraw/zinc/99/24/71/1189992471.db2.gz ALMHPTJJKHMKOV-HZPDHXFCSA-N 0 3 381.498 0.654 20 0 GCADHN O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000647706415 1189994196 /nfs/dbraw/zinc/99/41/96/1189994196.db2.gz IXGUHZDXJBBVBK-SJORKVTESA-N 0 3 379.482 0.508 20 0 GCADHN O=C(CCc1cn[nH]n1)N1CC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@H]2C1 ZINC000976039672 1190006205 /nfs/dbraw/zinc/00/62/05/1190006205.db2.gz HZEKQPDBVBJYQR-CRNXPOROSA-N 0 3 383.456 0.714 20 0 GCADHN Cn1cc(N2CC[C@@H](N3C[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4C3)C2=O)cn1 ZINC000661176389 1190010619 /nfs/dbraw/zinc/01/06/19/1190010619.db2.gz HFBLOJIHIQETQN-FGTMMUONSA-N 0 3 393.447 0.642 20 0 GCADHN CCc1nsc(N2CCCN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CC2)n1 ZINC000661187124 1190010892 /nfs/dbraw/zinc/01/08/92/1190010892.db2.gz SDAOFFGWWZUPOU-UONOGXRCSA-N 0 3 392.529 0.302 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000647707233 1190011519 /nfs/dbraw/zinc/01/15/19/1190011519.db2.gz ZGSSVULWRWKPQC-IAGOWNOFSA-N 0 3 395.525 0.902 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000662750361 1190016835 /nfs/dbraw/zinc/01/68/35/1190016835.db2.gz CHSIYIDYAUSLRS-HNNXBMFYSA-N 0 3 383.452 0.738 20 0 GCADHN CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cs1 ZINC000662750978 1190017446 /nfs/dbraw/zinc/01/74/46/1190017446.db2.gz QQWBMCUORPQSBR-UHFFFAOYSA-N 0 3 378.458 0.941 20 0 GCADHN C[C@@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC001671255617 1190017968 /nfs/dbraw/zinc/01/79/68/1190017968.db2.gz IDURAQSARNFFES-WBVHZDCISA-N 0 3 386.562 0.479 20 0 GCADHN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662751721 1190018241 /nfs/dbraw/zinc/01/82/41/1190018241.db2.gz CYQIATRVJCXIQX-MRXNPFEDSA-N 0 3 375.404 0.851 20 0 GCADHN Cc1sc2ncn(CCC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)c(=O)c2c1C ZINC000662751714 1190018342 /nfs/dbraw/zinc/01/83/42/1190018342.db2.gz CPVDTOCHFGCKQA-UHFFFAOYSA-N 0 3 388.453 0.736 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662749618 1190018349 /nfs/dbraw/zinc/01/83/49/1190018349.db2.gz KBRXEBOGTCTQPU-SECBINFHSA-N 0 3 399.860 0.278 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCCNC(=O)c2ccc(F)cc2F)n1 ZINC000662752079 1190019143 /nfs/dbraw/zinc/01/91/43/1190019143.db2.gz GPGOHMRIRRKYPG-UHFFFAOYSA-N 0 3 379.367 0.746 20 0 GCADHN O=C(NCC1(N2CCOCC2)CCOCC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661305118 1190027864 /nfs/dbraw/zinc/02/78/64/1190027864.db2.gz NJXNELKRNKPWMV-GOSISDBHSA-N 0 3 396.532 0.420 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)C(=O)N3CCN(CC4CCOCC4)CC3)[C@@H]2C1 ZINC000661403657 1190043766 /nfs/dbraw/zinc/04/37/66/1190043766.db2.gz YAIQTOPSSKTITP-ZWKOTPCHSA-N 0 3 378.517 0.110 20 0 GCADHN O=C([C@H]1CN2CCN1CCC2)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000408173588 1190044826 /nfs/dbraw/zinc/04/48/26/1190044826.db2.gz LQAQWVCFFADPIF-DLBZAZTESA-N 0 3 384.546 0.229 20 0 GCADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000408173591 1190044858 /nfs/dbraw/zinc/04/48/58/1190044858.db2.gz LQAQWVCFFADPIF-SJORKVTESA-N 0 3 384.546 0.229 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2nn(C)c(C)c2CN)cc1 ZINC000662837659 1190047525 /nfs/dbraw/zinc/04/75/25/1190047525.db2.gz ULLVYKOICAMIAU-UHFFFAOYSA-N 0 3 393.469 0.697 20 0 GCADHN C[C@@H](CO)[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000661435299 1190047848 /nfs/dbraw/zinc/04/78/48/1190047848.db2.gz RCRRUCINJFERKV-DLBZAZTESA-N 0 3 382.549 0.528 20 0 GCADHN COC[C@H](NCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(OC)c1 ZINC000661473347 1190055440 /nfs/dbraw/zinc/05/54/40/1190055440.db2.gz NDPUHIQCFFRCBI-HNNXBMFYSA-N 0 3 387.440 0.420 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCSC(C)(C)CC2)CC1 ZINC000661475645 1190056546 /nfs/dbraw/zinc/05/65/46/1190056546.db2.gz FWBOIZUQTWQNOZ-HNNXBMFYSA-N 0 3 396.557 0.496 20 0 GCADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)C1 ZINC000411023395 1193723132 /nfs/dbraw/zinc/72/31/32/1193723132.db2.gz KQXGBQVDDBGFSR-DLBZAZTESA-N 0 3 380.533 0.938 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCN(Cc3cscn3)CC2)C1 ZINC000411028008 1193723744 /nfs/dbraw/zinc/72/37/44/1193723744.db2.gz PAPUUPGHEFECGN-INIZCTEOSA-N 0 3 379.530 0.728 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)CCN2C1=O ZINC000575816300 1193724914 /nfs/dbraw/zinc/72/49/14/1193724914.db2.gz NFMOJQCYMWBPJX-VHRBIJSZSA-N 0 3 378.379 0.088 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)CCN2C1=O ZINC000575816298 1193725136 /nfs/dbraw/zinc/72/51/36/1193725136.db2.gz NFMOJQCYMWBPJX-MPKXVKKWSA-N 0 3 378.379 0.088 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(C)(C)[C@@]1(O)CCCOC1 ZINC000663916979 1193726756 /nfs/dbraw/zinc/72/67/56/1193726756.db2.gz UBKXSPKWRIAGNW-OXQOHEQNSA-N 0 3 398.548 0.796 20 0 GCADHN O=C(CNCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCC1)NC1CCOCC1 ZINC001481901017 1193726800 /nfs/dbraw/zinc/72/68/00/1193726800.db2.gz HNJZQLRVGPDRDS-BCDMZGRMSA-N 0 3 391.512 0.724 20 0 GCADHN Cn1c(CNC(=O)NCCCCN2CCN(CCO)CC2)nc2ccccc21 ZINC000512664926 1193729626 /nfs/dbraw/zinc/72/96/26/1193729626.db2.gz CCHRORGESOTTJR-UHFFFAOYSA-N 0 3 388.516 0.763 20 0 GCADHN CCCS(=O)(=O)Nc1cccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000575883502 1193732798 /nfs/dbraw/zinc/73/27/98/1193732798.db2.gz VTYUJJVVDFATKM-GJZGRUSLSA-N 0 3 395.485 0.614 20 0 GCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000433052531 1193737228 /nfs/dbraw/zinc/73/72/28/1193737228.db2.gz LTLQGXMGTNLNBB-UHFFFAOYSA-N 0 3 377.426 0.181 20 0 GCADHN C[C@@H]1CN(c2cnc(N3C[C@@H](C)N(CCO)[C@@H](C)C3)cn2)C[C@H](C)N1CCO ZINC000663973164 1193743481 /nfs/dbraw/zinc/74/34/81/1193743481.db2.gz WXYHSQAVNRJPQW-USTZCAOPSA-N 0 3 392.548 0.259 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCn3cccc3)CC2)C[C@H](C)O1 ZINC000512737639 1193749188 /nfs/dbraw/zinc/74/91/88/1193749188.db2.gz ACXXQJZQLRISRJ-CALCHBBNSA-N 0 3 376.501 0.952 20 0 GCADHN O=C(Nc1cc(N2CCNC2=O)ccc1F)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000411316839 1193749771 /nfs/dbraw/zinc/74/97/71/1193749771.db2.gz XOIBTMREGVEGPZ-CYBMUJFWSA-N 0 3 375.404 0.600 20 0 GCADHN CC[C@@]1(C)COCCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000411428747 1193757943 /nfs/dbraw/zinc/75/79/43/1193757943.db2.gz PENSJXZEZMZKEE-SFHVURJKSA-N 0 3 383.514 0.884 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCN1CCCS1(=O)=O ZINC000248873745 1193762078 /nfs/dbraw/zinc/76/20/78/1193762078.db2.gz QWBHXIRLIOPKQM-DOTOQJQBSA-N 0 3 380.514 0.842 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)N1CCc2sccc2C1 ZINC000419247962 1193764439 /nfs/dbraw/zinc/76/44/39/1193764439.db2.gz XNQALBGZUDPBPN-KCQAQPDRSA-N 0 3 394.541 0.840 20 0 GCADHN Cc1cnn([C@@H]2CCCN(C(=O)NCCCCN3CCN(CCO)CC3)C2)c1 ZINC000512819747 1193778607 /nfs/dbraw/zinc/77/86/07/1193778607.db2.gz HABHZJGQXXVVDI-LJQANCHMSA-N 0 3 392.548 0.928 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c(OC)c1OC ZINC000419274278 1193781199 /nfs/dbraw/zinc/78/11/99/1193781199.db2.gz ILVDTUPAXJDHEH-WCQYABFASA-N 0 3 395.456 0.558 20 0 GCADHN CCn1nc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1C1CC1 ZINC000473482595 1193783542 /nfs/dbraw/zinc/78/35/42/1193783542.db2.gz RCAGNACNIXWALP-AWEZNQCLSA-N 0 3 376.505 0.861 20 0 GCADHN O=C(N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)C(=O)N1CCCNCC1 ZINC000419282410 1193783886 /nfs/dbraw/zinc/78/38/86/1193783886.db2.gz YHMBXVSUKPZZAW-CYBMUJFWSA-N 0 3 398.385 0.749 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1 ZINC000419281970 1193784590 /nfs/dbraw/zinc/78/45/90/1193784590.db2.gz LLOLTDUMZQYGAU-ZWKOTPCHSA-N 0 3 380.448 0.720 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000509819225 1193785153 /nfs/dbraw/zinc/78/51/53/1193785153.db2.gz MHKILGJWLICURJ-LBPRGKRZSA-N 0 3 396.875 0.817 20 0 GCADHN COc1cccc(CC(=O)N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)c1 ZINC000429892487 1193785500 /nfs/dbraw/zinc/78/55/00/1193785500.db2.gz OXELJACETRCQFN-SFHVURJKSA-N 0 3 375.469 0.677 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN[C@@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419283841 1193786272 /nfs/dbraw/zinc/78/62/72/1193786272.db2.gz NQZKZLIIECIHEM-GJZGRUSLSA-N 0 3 391.491 0.575 20 0 GCADHN COc1cc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)ccc1OCCC(C)C ZINC000419295303 1193791175 /nfs/dbraw/zinc/79/11/75/1193791175.db2.gz QKWDLOJSUIBHMV-INIZCTEOSA-N 0 3 393.484 0.841 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000261725104 1193791808 /nfs/dbraw/zinc/79/18/08/1193791808.db2.gz ITEUBNLKBWADHF-SFHVURJKSA-N 0 3 396.495 0.810 20 0 GCADHN CC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000473485976 1193794572 /nfs/dbraw/zinc/79/45/72/1193794572.db2.gz CNGSCRACGSNFDL-AWEZNQCLSA-N 0 3 375.473 0.726 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@@](C(N)=O)(c3ccccc3)C2)C1 ZINC000411966919 1193797670 /nfs/dbraw/zinc/79/76/70/1193797670.db2.gz MJQUPOVQVOQNGW-IERDGZPVSA-N 0 3 387.480 0.917 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@](C(N)=O)(c3ccccc3)C2)C1 ZINC000411966918 1193798036 /nfs/dbraw/zinc/79/80/36/1193798036.db2.gz MJQUPOVQVOQNGW-HRAATJIYSA-N 0 3 387.480 0.917 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@](C(N)=O)(c3ccccc3)C2)C1 ZINC000411966920 1193798050 /nfs/dbraw/zinc/79/80/50/1193798050.db2.gz MJQUPOVQVOQNGW-IIBYNOLFSA-N 0 3 387.480 0.917 20 0 GCADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000419317727 1193808635 /nfs/dbraw/zinc/80/86/35/1193808635.db2.gz NBVXTAHWBHVRQS-DLBZAZTESA-N 0 3 389.500 0.846 20 0 GCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(CCN(C)C)c1ccccc1 ZINC000469036644 1193809991 /nfs/dbraw/zinc/80/99/91/1193809991.db2.gz PUDIAIYHYWDKOF-UHFFFAOYSA-N 0 3 398.529 0.415 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433353687 1193812483 /nfs/dbraw/zinc/81/24/83/1193812483.db2.gz MCLYYZMDTGWUEX-STQMWFEESA-N 0 3 385.486 0.483 20 0 GCADHN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419323175 1193814185 /nfs/dbraw/zinc/81/41/85/1193814185.db2.gz UBKZWMYPSWGKCY-AGIUHOORSA-N 0 3 378.477 0.582 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000664071089 1193815298 /nfs/dbraw/zinc/81/52/98/1193815298.db2.gz SPFZYNGHNSXGTH-HNNXBMFYSA-N 0 3 383.518 0.298 20 0 GCADHN COCCO[C@H]1C[C@H](CO)CN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000433359350 1193815708 /nfs/dbraw/zinc/81/57/08/1193815708.db2.gz HPPVAINBXXRJLC-IRXDYDNUSA-N 0 3 386.514 0.783 20 0 GCADHN CN1CCN(c2ncc(CNC[C@@H](N3CCOCC3)C(F)(F)F)cn2)CC1 ZINC000512977135 1193816171 /nfs/dbraw/zinc/81/61/71/1193816171.db2.gz GVQCSKFPCPBRIB-OAHLLOKOSA-N 0 3 388.438 0.581 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)C(=O)NCCN1CCCCC1 ZINC000412321626 1193818208 /nfs/dbraw/zinc/81/82/08/1193818208.db2.gz NTCPDOYRYXOOGM-ZIAGYGMSSA-N 0 3 378.439 0.977 20 0 GCADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000419327718 1193819551 /nfs/dbraw/zinc/81/95/51/1193819551.db2.gz ZWLJPPTYZLTXDK-ZWKOTPCHSA-N 0 3 397.479 0.876 20 0 GCADHN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000247875392 1193825957 /nfs/dbraw/zinc/82/59/57/1193825957.db2.gz YLJIQUUHKFXQLX-YRXWBPOGSA-N 0 3 381.565 0.906 20 0 GCADHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000614343378 1193831490 /nfs/dbraw/zinc/83/14/90/1193831490.db2.gz UVQFSIWSYMQZHW-INIZCTEOSA-N 0 3 383.514 0.856 20 0 GCADHN COc1ccc2c(c1)[C@@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)CCO2 ZINC000419337852 1193833205 /nfs/dbraw/zinc/83/32/05/1193833205.db2.gz YLULPEADQFEQJV-CQDKDKBSSA-N 0 3 377.441 0.864 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CCN2C1=O ZINC000571344612 1193834962 /nfs/dbraw/zinc/83/49/62/1193834962.db2.gz HWTSNKPVSNNEDS-QKPAOTATSA-N 0 3 377.489 0.121 20 0 GCADHN CN(C)[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)C[C@@H]1O ZINC000664086776 1193845603 /nfs/dbraw/zinc/84/56/03/1193845603.db2.gz XTWHBAADOILQCR-FHWLQOOXSA-N 0 3 376.501 0.246 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(OCCN2CCC(N3CCNC3=O)CC2)cc1 ZINC000052214538 1193850472 /nfs/dbraw/zinc/85/04/72/1193850472.db2.gz UYGWJLWIMZOUBP-UHFFFAOYSA-N 0 3 396.513 0.805 20 0 GCADHN CN(CCCNC(=O)C1CCC1)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000571365607 1193859759 /nfs/dbraw/zinc/85/97/59/1193859759.db2.gz LMZAJPGMZNCHBR-MRXNPFEDSA-N 0 3 380.533 0.988 20 0 GCADHN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)C(=O)NC[C@H]1CNCCO1 ZINC000419362416 1193866100 /nfs/dbraw/zinc/86/61/00/1193866100.db2.gz VBYDEXGYPMGTPS-IAGOWNOFSA-N 0 3 394.903 0.698 20 0 GCADHN COc1ccc(-n2ccc(CNC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)n2)cc1 ZINC000571463729 1193877625 /nfs/dbraw/zinc/87/76/25/1193877625.db2.gz HCXVSCOFIAUFFS-DOTOQJQBSA-N 0 3 384.440 0.334 20 0 GCADHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000419376753 1193877674 /nfs/dbraw/zinc/87/76/74/1193877674.db2.gz BNDVKDDVOPACBB-CABCVRRESA-N 0 3 383.514 0.907 20 0 GCADHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000419376761 1193877683 /nfs/dbraw/zinc/87/76/83/1193877683.db2.gz BNDVKDDVOPACBB-GJZGRUSLSA-N 0 3 383.514 0.907 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c(C)c1 ZINC000052654532 1193884385 /nfs/dbraw/zinc/88/43/85/1193884385.db2.gz HXCPFXYFEDXLOW-UHFFFAOYSA-N 0 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CN1CCO[C@H]([C@@H](NC(=O)C(=O)N2CCCNCC2)c2ccc(Cl)cc2)C1 ZINC000419394488 1193920950 /nfs/dbraw/zinc/92/09/50/1193920950.db2.gz SHYQXSZVVPETBT-IRXDYDNUSA-N 0 3 394.903 0.650 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](N)C3CCOCC3)CC2)c1 ZINC000261653556 1193922436 /nfs/dbraw/zinc/92/24/36/1193922436.db2.gz FIEVQALMANMUGH-GOSISDBHSA-N 0 3 395.525 0.890 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000261754436 1193925236 /nfs/dbraw/zinc/92/52/36/1193925236.db2.gz KKCCLGUZKZOFCD-HNNXBMFYSA-N 0 3 383.470 0.415 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)C(=O)Nc2ccc3nc(N(C)C)oc3c2)CCO1 ZINC000513264811 1193928962 /nfs/dbraw/zinc/92/89/62/1193928962.db2.gz AFYHCOARJDDPAS-ZDUSSCGKSA-N 0 3 375.429 0.621 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC(C)(C)CN1CCOCC1 ZINC000413221068 1193929501 /nfs/dbraw/zinc/92/95/01/1193929501.db2.gz ROKJQDQLTJVLJF-MRXNPFEDSA-N 0 3 383.537 0.339 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](N)C3CCOCC3)CC2)cc1C ZINC000261868488 1193929568 /nfs/dbraw/zinc/92/95/68/1193929568.db2.gz SUHZSFRVLOHELK-GOSISDBHSA-N 0 3 395.525 0.890 20 0 GCADHN N[C@@H](C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261912179 1193931169 /nfs/dbraw/zinc/93/11/69/1193931169.db2.gz XRIAYGFQPVEYAF-QGZVFWFLSA-N 0 3 399.488 0.803 20 0 GCADHN N[C@H](C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)C1CCOCC1 ZINC000261932184 1193931899 /nfs/dbraw/zinc/93/18/99/1193931899.db2.gz ISCOGJVLZHSLJW-KRWDZBQOSA-N 0 3 375.425 0.454 20 0 GCADHN COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@H](N)C2CCOCC2)C1=O ZINC000261945586 1193932465 /nfs/dbraw/zinc/93/24/65/1193932465.db2.gz JRGNGXHDFZNZEN-QWHCGFSZSA-N 0 3 381.454 0.510 20 0 GCADHN CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000261967777 1193933653 /nfs/dbraw/zinc/93/36/53/1193933653.db2.gz BCPTVVVIVPDIOL-INIZCTEOSA-N 0 3 399.517 0.407 20 0 GCADHN N[C@@H](C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000262033094 1193936858 /nfs/dbraw/zinc/93/68/58/1193936858.db2.gz PMTSTTSKKYQQEZ-GOSISDBHSA-N 0 3 378.448 0.662 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)[C@H](N)C3CCOCC3)CC2)cc1OC ZINC000262110810 1193939625 /nfs/dbraw/zinc/93/96/25/1193939625.db2.gz VRECNJSASXOVQR-GOSISDBHSA-N 0 3 391.468 0.742 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000262107921 1193939693 /nfs/dbraw/zinc/93/96/93/1193939693.db2.gz MMMMLZNBUPTLMW-IYOUNJFTSA-N 0 3 390.484 0.974 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000262158514 1193940496 /nfs/dbraw/zinc/94/04/96/1193940496.db2.gz PRBYCVNRYZYHOD-KRWDZBQOSA-N 0 3 376.457 0.633 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000262267331 1193943436 /nfs/dbraw/zinc/94/34/36/1193943436.db2.gz YCQRKQMNJMDHPO-LRDDRELGSA-N 0 3 392.456 0.406 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000262267332 1193943527 /nfs/dbraw/zinc/94/35/27/1193943527.db2.gz YCQRKQMNJMDHPO-WBMJQRKESA-N 0 3 392.456 0.406 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000513428913 1193949950 /nfs/dbraw/zinc/94/99/50/1193949950.db2.gz ORPDOWNBOXTQEW-QGZVFWFLSA-N 0 3 395.525 0.904 20 0 GCADHN C[C@H](Sc1nnnn1C1CC1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000513434558 1193950912 /nfs/dbraw/zinc/95/09/12/1193950912.db2.gz OEMXYKMEMFAXPN-GXTWGEPZSA-N 0 3 395.533 0.548 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1C(=O)COc2ccccc21 ZINC000513438077 1193951333 /nfs/dbraw/zinc/95/13/33/1193951333.db2.gz GLUNFDZBBIYJPF-INIZCTEOSA-N 0 3 388.468 0.471 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000513438100 1193951370 /nfs/dbraw/zinc/95/13/70/1193951370.db2.gz GNEWVJWRZZSUND-GFCCVEGCSA-N 0 3 375.395 0.961 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000513439521 1193951916 /nfs/dbraw/zinc/95/19/16/1193951916.db2.gz NWIUVYLZOSIUDB-RWMBFGLXSA-N 0 3 392.422 0.502 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CSCC(=O)N1CCCCC1 ZINC000513437766 1193951963 /nfs/dbraw/zinc/95/19/63/1193951963.db2.gz FDWCAVSWZDZFMU-INIZCTEOSA-N 0 3 398.573 0.791 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(OCC(N)=O)c1 ZINC000513441098 1193952233 /nfs/dbraw/zinc/95/22/33/1193952233.db2.gz VYEOYZXYYLNYKP-MRXNPFEDSA-N 0 3 376.457 0.223 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000262950583 1193958965 /nfs/dbraw/zinc/95/89/65/1193958965.db2.gz BUJBMDXLVPLMEQ-SFHVURJKSA-N 0 3 376.457 0.726 20 0 GCADHN C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000664205974 1193959258 /nfs/dbraw/zinc/95/92/58/1193959258.db2.gz HZZFRDXXMNSRLS-XGXHKWSGSA-N 0 3 376.501 0.592 20 0 GCADHN CN1CCN(c2ncc(CN[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)cn2)CC1 ZINC000430017738 1193959289 /nfs/dbraw/zinc/95/92/89/1193959289.db2.gz UDNSZRSAEZALMA-CVEARBPZSA-N 0 3 382.534 0.178 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000263109796 1193961926 /nfs/dbraw/zinc/96/19/26/1193961926.db2.gz DLHYTQIEFBVEJN-INIZCTEOSA-N 0 3 396.875 0.850 20 0 GCADHN 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/nfs/dbraw/zinc/97/32/86/1193973286.db2.gz ONJFGMUUYLREJQ-HOTGVXAUSA-N 0 3 380.537 0.662 20 0 GCADHN CC(C)n1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000280231906 1193981604 /nfs/dbraw/zinc/98/16/04/1193981604.db2.gz BXYGMKQZRCKHEA-AWEZNQCLSA-N 0 3 378.477 0.461 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(C(C)C)n2)CC1 ZINC000280448353 1193995640 /nfs/dbraw/zinc/99/56/40/1193995640.db2.gz VYPPSHNUQDBJLR-UHFFFAOYSA-N 0 3 378.477 0.415 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CCSC1 ZINC000280477877 1193998794 /nfs/dbraw/zinc/99/87/94/1193998794.db2.gz NUUIMHSSPASYAZ-FZKQIMNGSA-N 0 3 395.529 0.806 20 0 GCADHN CC1=C(C(=O)NCc2ccccc2CN2CCC(O)CC2)Cn2nnnc2N1C ZINC000280667265 1194012080 /nfs/dbraw/zinc/01/20/80/1194012080.db2.gz BFNIQITZXYTTHQ-UHFFFAOYSA-N 0 3 397.483 0.670 20 0 GCADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@](C)(C(N)=O)C3)CC2)c(F)c1 ZINC000280678891 1194013673 /nfs/dbraw/zinc/01/36/73/1194013673.db2.gz GONIBTYTJJAYGY-FQEVSTJZSA-N 0 3 390.459 0.874 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000419406808 1194021578 /nfs/dbraw/zinc/02/15/78/1194021578.db2.gz JIDFFAXYQRAZFQ-MAZHCROVSA-N 0 3 380.464 0.774 20 0 GCADHN CCCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419426926 1194027243 /nfs/dbraw/zinc/02/72/43/1194027243.db2.gz GLXCUVZZUMBACI-CZUORRHYSA-N 0 3 390.484 0.672 20 0 GCADHN CCCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419426925 1194027516 /nfs/dbraw/zinc/02/75/16/1194027516.db2.gz GLXCUVZZUMBACI-CJNGLKHVSA-N 0 3 390.484 0.672 20 0 GCADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)n(-c2ccccc2)n1 ZINC000419411540 1194029271 /nfs/dbraw/zinc/02/92/71/1194029271.db2.gz PTLUATXFUSEJSX-RDTXWAMCSA-N 0 3 385.468 0.333 20 0 GCADHN NC[C@H](NC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccc2ccccc2c1 ZINC000419416261 1194032087 /nfs/dbraw/zinc/03/20/87/1194032087.db2.gz OMLDLAVBEKLEDQ-YESZJQIVSA-N 0 3 384.436 0.105 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419416460 1194032172 /nfs/dbraw/zinc/03/21/72/1194032172.db2.gz WFTJOXUFIXNAMU-GUTXKFCHSA-N 0 3 380.489 0.265 20 0 GCADHN NC[C@H](NC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)c1ccc2ccccc2c1 ZINC000419416255 1194032442 /nfs/dbraw/zinc/03/24/42/1194032442.db2.gz OMLDLAVBEKLEDQ-IKGGRYGDSA-N 0 3 384.436 0.105 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCCCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000419445108 1194035500 /nfs/dbraw/zinc/03/55/00/1194035500.db2.gz DIPJCEOFVSKLGT-MRXNPFEDSA-N 0 3 396.447 0.735 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)CC1CCCCC1 ZINC000419449537 1194036981 /nfs/dbraw/zinc/03/69/81/1194036981.db2.gz YAZMDMHUFLZFQG-UKRRQHHQSA-N 0 3 382.505 0.418 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N(CCN(C)C)Cc2cccs2)C1=O ZINC000501041975 1194038834 /nfs/dbraw/zinc/03/88/34/1194038834.db2.gz UEYGXWWIZDJWDF-HNNXBMFYSA-N 0 3 396.513 0.985 20 0 GCADHN CCC(CC)[C@@H](CCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)OC ZINC000419480854 1194040347 /nfs/dbraw/zinc/04/03/47/1194040347.db2.gz WJSPUUVGTOGVME-DLBZAZTESA-N 0 3 394.520 0.858 20 0 GCADHN CCC(CC)[C@H](CCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)OC ZINC000419480857 1194040547 /nfs/dbraw/zinc/04/05/47/1194040547.db2.gz WJSPUUVGTOGVME-SJORKVTESA-N 0 3 394.520 0.858 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccco2)C1=O ZINC000501034753 1194042810 /nfs/dbraw/zinc/04/28/10/1194042810.db2.gz LHVMXXPGPBWZRP-OAHLLOKOSA-N 0 3 380.445 0.517 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(-c2cnn(C)c2)c1 ZINC000419509396 1194048252 /nfs/dbraw/zinc/04/82/52/1194048252.db2.gz AFWZDQDVXJIYHW-GUYCJALGSA-N 0 3 385.468 0.933 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(-c2cnn(C)c2)c1 ZINC000419509394 1194048380 /nfs/dbraw/zinc/04/83/80/1194048380.db2.gz AFWZDQDVXJIYHW-CXAGYDPISA-N 0 3 385.468 0.933 20 0 GCADHN COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C2 ZINC000419538611 1194055700 /nfs/dbraw/zinc/05/57/00/1194055700.db2.gz AEEHAHHCQNPFDQ-NJZAAPMLSA-N 0 3 377.441 0.344 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)c(OC2CCCC2)c1 ZINC000419555931 1194058544 /nfs/dbraw/zinc/05/85/44/1194058544.db2.gz IBTNGHGCBFTFBR-KRWDZBQOSA-N 0 3 391.468 0.737 20 0 GCADHN CS(=O)(=O)C1(CNC(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000419574952 1194058867 /nfs/dbraw/zinc/05/88/67/1194058867.db2.gz SWZQVZZNGJHCSH-MRXNPFEDSA-N 0 3 389.477 0.649 20 0 GCADHN Cc1ccc(OCCNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000419569123 1194063035 /nfs/dbraw/zinc/06/30/35/1194063035.db2.gz BBCYUDDTFOTMLI-INIZCTEOSA-N 0 3 386.456 0.404 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1=O ZINC000501120908 1194063419 /nfs/dbraw/zinc/06/34/19/1194063419.db2.gz MXKSRHITTXXHFK-HZPDHXFCSA-N 0 3 394.447 0.892 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H](CN)c1ccc3ccccc3c1)CC2 ZINC000419573981 1194064164 /nfs/dbraw/zinc/06/41/64/1194064164.db2.gz BNZVPVLVWGRGOX-QZTJIDSGSA-N 0 3 392.463 0.987 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccnc1OCC(F)F ZINC000419604462 1194064662 /nfs/dbraw/zinc/06/46/62/1194064662.db2.gz ZORKENMXBHMHGZ-PWSUYJOCSA-N 0 3 386.399 0.571 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccnc1OCC(F)F ZINC000419604458 1194064727 /nfs/dbraw/zinc/06/47/27/1194064727.db2.gz ZORKENMXBHMHGZ-CMPLNLGQSA-N 0 3 386.399 0.571 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC(C)(C)C2(O)CCOCC2)CC1 ZINC000419585927 1194065434 /nfs/dbraw/zinc/06/54/34/1194065434.db2.gz QKTQCGWGAOVVBV-UHFFFAOYSA-N 0 3 398.548 0.750 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)n[nH]1 ZINC000419632345 1194072726 /nfs/dbraw/zinc/07/27/26/1194072726.db2.gz OIFPLGMUWQZEKC-JSGCOSHPSA-N 0 3 378.477 0.032 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C(=O)N1c1ccccc1 ZINC000419665406 1194078294 /nfs/dbraw/zinc/07/82/94/1194078294.db2.gz KQRRNOKXCVYGHW-OCVGTWLNSA-N 0 3 388.468 0.526 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000419672818 1194079382 /nfs/dbraw/zinc/07/93/82/1194079382.db2.gz GPVXGPLGFHAHTL-MJVIPROJSA-N 0 3 390.440 0.424 20 0 GCADHN COc1ccccc1SC[C@@H](C)CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419681658 1194081534 /nfs/dbraw/zinc/08/15/34/1194081534.db2.gz IROCPGOQFANCGI-UONOGXRCSA-N 0 3 381.498 0.644 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccncc1OCC(F)F ZINC000419710329 1194085435 /nfs/dbraw/zinc/08/54/35/1194085435.db2.gz NYCRHNDBQUPVBU-PWSUYJOCSA-N 0 3 386.399 0.571 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000419748425 1194096364 /nfs/dbraw/zinc/09/63/64/1194096364.db2.gz UROHSGOSYOFJIF-CQSZACIVSA-N 0 3 395.887 0.609 20 0 GCADHN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419753004 1194097504 /nfs/dbraw/zinc/09/75/04/1194097504.db2.gz XSDOQSSLDPHNNF-BBWFWOEESA-N 0 3 392.504 0.610 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000419773975 1194102851 /nfs/dbraw/zinc/10/28/51/1194102851.db2.gz JDHNJJZNSXSTIM-ABSDTBQOSA-N 0 3 393.459 0.120 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)Oc1ccccc1 ZINC000419804330 1194107294 /nfs/dbraw/zinc/10/72/94/1194107294.db2.gz CVCCNTDIWYJKER-ZBFHGGJFSA-N 0 3 386.456 0.484 20 0 GCADHN C[C@H]1CN(Cc2ccccc2CNC(=O)C(=O)N2CCCNCC2)C[C@H](C)O1 ZINC000419826167 1194110809 /nfs/dbraw/zinc/11/08/09/1194110809.db2.gz QOSKWCCKCFVOFP-IRXDYDNUSA-N 0 3 388.512 0.734 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)NCC(F)(F)CN)N2CCCC2)cc1 ZINC000419806978 1194111646 /nfs/dbraw/zinc/11/16/46/1194111646.db2.gz FRNIJWKSRUQPHP-HNNXBMFYSA-N 0 3 384.427 0.659 20 0 GCADHN O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000419878516 1194131229 /nfs/dbraw/zinc/13/12/29/1194131229.db2.gz JIIQGYXPJJGQII-CYBMUJFWSA-N 0 3 394.859 0.701 20 0 GCADHN O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000419878517 1194131447 /nfs/dbraw/zinc/13/14/47/1194131447.db2.gz JIIQGYXPJJGQII-ZDUSSCGKSA-N 0 3 394.859 0.701 20 0 GCADHN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)NC[C@H](N)c1ccccc1)CC2 ZINC000419924270 1194139293 /nfs/dbraw/zinc/13/92/93/1194139293.db2.gz HDZXDBHOKCCADB-GVDBMIGSSA-N 0 3 375.469 0.581 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)oc1C ZINC000419924780 1194139884 /nfs/dbraw/zinc/13/98/84/1194139884.db2.gz HXGDPKPRSCISMJ-QGZVFWFLSA-N 0 3 385.468 0.752 20 0 GCADHN CC(C)CN1C[C@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CCN2C1=O ZINC000419929574 1194140328 /nfs/dbraw/zinc/14/03/28/1194140328.db2.gz MQSQJYAKZHJMJD-IAGOWNOFSA-N 0 3 387.484 0.407 20 0 GCADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419929324 1194140352 /nfs/dbraw/zinc/14/03/52/1194140352.db2.gz MGHHVHWWQWQFKB-UZLBHIALSA-N 0 3 391.468 0.621 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)n1 ZINC000419913217 1194142884 /nfs/dbraw/zinc/14/28/84/1194142884.db2.gz MLDATMWARJTQFN-HNNXBMFYSA-N 0 3 388.497 0.701 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000419933479 1194144749 /nfs/dbraw/zinc/14/47/49/1194144749.db2.gz QSCYWJULFXTVSY-SFHVURJKSA-N 0 3 398.438 0.926 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@H](N)c2ccccc2)C[C@@H](C)O1 ZINC000419935790 1194145047 /nfs/dbraw/zinc/14/50/47/1194145047.db2.gz SSIDTNZWRFSRDJ-FPAYPSAMSA-N 0 3 388.512 0.903 20 0 GCADHN COc1ccc2c(c1OC)CCN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C2 ZINC000420022849 1194158323 /nfs/dbraw/zinc/15/83/23/1194158323.db2.gz ABJYUXCQTKKJIP-DOMZBBRYSA-N 0 3 391.468 0.818 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000420024656 1194158775 /nfs/dbraw/zinc/15/87/75/1194158775.db2.gz BJEVKDWIBBSCEQ-FPMFFAJLSA-N 0 3 391.472 0.882 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000420024667 1194158855 /nfs/dbraw/zinc/15/88/55/1194158855.db2.gz BJEVKDWIBBSCEQ-UBHSHLNASA-N 0 3 391.472 0.882 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000420027638 1194159868 /nfs/dbraw/zinc/15/98/68/1194159868.db2.gz DAOXRRODLODCRC-QEOTZNIISA-N 0 3 396.532 0.316 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000420030323 1194160387 /nfs/dbraw/zinc/16/03/87/1194160387.db2.gz GIJRGUUQZVHCHU-BHYGNILZSA-N 0 3 375.469 0.686 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420031927 1194160699 /nfs/dbraw/zinc/16/06/99/1194160699.db2.gz HMNCJZQNFLKGBZ-CJNGLKHVSA-N 0 3 378.448 0.704 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420031930 1194160888 /nfs/dbraw/zinc/16/08/88/1194160888.db2.gz HMNCJZQNFLKGBZ-CZUORRHYSA-N 0 3 378.448 0.704 20 0 GCADHN COc1ccc2c(c1)CCN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)CC2 ZINC000420033821 1194160915 /nfs/dbraw/zinc/16/09/15/1194160915.db2.gz IXCAUXZELCXINE-DYVFJYSZSA-N 0 3 375.469 0.852 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000420032332 1194160969 /nfs/dbraw/zinc/16/09/69/1194160969.db2.gz HVEBNPJVTUXHAI-SRMUXQRQSA-N 0 3 379.432 0.689 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCCN(Cc2cscn2)CC1 ZINC000420035382 1194161593 /nfs/dbraw/zinc/16/15/93/1194161593.db2.gz KFLZSWGVWFURBX-ZFWWWQNUSA-N 0 3 395.529 0.407 20 0 GCADHN Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)c1 ZINC000420012535 1194162021 /nfs/dbraw/zinc/16/20/21/1194162021.db2.gz BAORRPIPYUKPES-HUUCEWRRSA-N 0 3 375.473 0.268 20 0 GCADHN Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)c1 ZINC000420012533 1194162276 /nfs/dbraw/zinc/16/22/76/1194162276.db2.gz BAORRPIPYUKPES-CABCVRRESA-N 0 3 375.473 0.268 20 0 GCADHN CNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000420060331 1194164219 /nfs/dbraw/zinc/16/42/19/1194164219.db2.gz PWPILIIATZVRGH-ROUUACIJSA-N 0 3 382.464 0.940 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000420037159 1194164814 /nfs/dbraw/zinc/16/48/14/1194164814.db2.gz LUKLMDRQCGMGLJ-DOMZBBRYSA-N 0 3 394.447 0.820 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000420037161 1194164832 /nfs/dbraw/zinc/16/48/32/1194164832.db2.gz LUKLMDRQCGMGLJ-SWLSCSKDSA-N 0 3 394.447 0.820 20 0 GCADHN CC(C)(O)CN1CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420062907 1194164945 /nfs/dbraw/zinc/16/49/45/1194164945.db2.gz SCBGMBDCWROQSH-IBGZPJMESA-N 0 3 398.507 0.871 20 0 GCADHN CC(C)OCCOC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420038250 1194165771 /nfs/dbraw/zinc/16/57/71/1194165771.db2.gz MSULXJKDNCQPQM-GOEBONIOSA-N 0 3 385.505 0.648 20 0 GCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c(OC)c1 ZINC000420038937 1194166055 /nfs/dbraw/zinc/16/60/55/1194166055.db2.gz NJVKOWQTGOHWHB-WFASDCNBSA-N 0 3 379.457 0.891 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000420040297 1194166137 /nfs/dbraw/zinc/16/61/37/1194166137.db2.gz OVEHYBBZZQSEDC-RHSMWYFYSA-N 0 3 397.479 0.986 20 0 GCADHN COc1ccccc1N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420039884 1194166284 /nfs/dbraw/zinc/16/62/84/1194166284.db2.gz OJOILDRVQOVKRX-HUUCEWRRSA-N 0 3 390.484 0.573 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000420043377 1194167320 /nfs/dbraw/zinc/16/73/20/1194167320.db2.gz RVEAKGYBBLWPFV-SDDRHHMPSA-N 0 3 380.411 0.311 20 0 GCADHN CCOc1ccc(NC(=O)CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000420043283 1194167478 /nfs/dbraw/zinc/16/74/78/1194167478.db2.gz RQLVDTFJKNKVMH-DOMZBBRYSA-N 0 3 392.456 0.369 20 0 GCADHN CCOc1ccc(NC(=O)CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000420043284 1194167588 /nfs/dbraw/zinc/16/75/88/1194167588.db2.gz RQLVDTFJKNKVMH-IUODEOHRSA-N 0 3 392.456 0.369 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000420045498 1194168044 /nfs/dbraw/zinc/16/80/44/1194168044.db2.gz USIPETOMPBKHAK-KCQAQPDRSA-N 0 3 394.447 0.820 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000420045497 1194168292 /nfs/dbraw/zinc/16/82/92/1194168292.db2.gz USIPETOMPBKHAK-GZBFAFLISA-N 0 3 394.447 0.820 20 0 GCADHN COc1cc2c(cc1OC)CN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)CC2 ZINC000420044805 1194168384 /nfs/dbraw/zinc/16/83/84/1194168384.db2.gz UFADIEAGPRNPFF-DOMZBBRYSA-N 0 3 391.468 0.818 20 0 GCADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000420048096 1194168738 /nfs/dbraw/zinc/16/87/38/1194168738.db2.gz DQLMPKQAICKJNZ-QZTJIDSGSA-N 0 3 399.447 0.746 20 0 GCADHN COC(=O)C[C@H]1CN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000420048098 1194168895 /nfs/dbraw/zinc/16/88/95/1194168895.db2.gz DQLMPKQAICKJNZ-ZWKOTPCHSA-N 0 3 399.447 0.746 20 0 GCADHN COc1cc2c(cc1F)CN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000420046712 1194168907 /nfs/dbraw/zinc/16/89/07/1194168907.db2.gz VUBKUIGCZPNDSY-NHYWBVRUSA-N 0 3 379.432 0.948 20 0 GCADHN COC(=O)C[C@H]1CN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000420048097 1194169028 /nfs/dbraw/zinc/16/90/28/1194169028.db2.gz DQLMPKQAICKJNZ-ROUUACIJSA-N 0 3 399.447 0.746 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)c1ccc2ccccc2c1 ZINC000420048785 1194169432 /nfs/dbraw/zinc/16/94/32/1194169432.db2.gz FKCDFAAJKVWTME-KBXCAEBGSA-N 0 3 397.479 0.863 20 0 GCADHN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)C2)no1 ZINC000420067290 1194171484 /nfs/dbraw/zinc/17/14/84/1194171484.db2.gz RRYMPPMTSVYWIL-XBFCOCLRSA-N 0 3 379.461 0.388 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)c1ccc2ccccc2c1 ZINC000420070414 1194171933 /nfs/dbraw/zinc/17/19/33/1194171933.db2.gz BZAOFSRFHXIODR-SQNIBIBYSA-N 0 3 396.447 0.072 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000420070793 1194172107 /nfs/dbraw/zinc/17/21/07/1194172107.db2.gz VUWINPPEEJTXFJ-PBHICJAKSA-N 0 3 392.475 0.699 20 0 GCADHN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000501500407 1194172771 /nfs/dbraw/zinc/17/27/71/1194172771.db2.gz AOLPTBYMZRRJQC-IKGGRYGDSA-N 0 3 378.521 0.916 20 0 GCADHN CS(=O)(=O)C[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)c1ccccc1 ZINC000420075818 1194173237 /nfs/dbraw/zinc/17/32/37/1194173237.db2.gz UDUVIRSBKIWQBO-JKSUJKDBSA-N 0 3 381.498 0.522 20 0 GCADHN CS(=O)(=O)C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)c1ccccc1 ZINC000420075816 1194173277 /nfs/dbraw/zinc/17/32/77/1194173277.db2.gz UDUVIRSBKIWQBO-HOTGVXAUSA-N 0 3 381.498 0.522 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)cs1 ZINC000420065728 1194176200 /nfs/dbraw/zinc/17/62/00/1194176200.db2.gz PXSSKIHWUPWEGE-DOMZBBRYSA-N 0 3 395.529 0.325 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000420198023 1194202264 /nfs/dbraw/zinc/20/22/64/1194202264.db2.gz KAXKOMSREPTYDW-WFASDCNBSA-N 0 3 385.823 0.484 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000420198021 1194202583 /nfs/dbraw/zinc/20/25/83/1194202583.db2.gz KAXKOMSREPTYDW-SWLSCSKDSA-N 0 3 385.823 0.484 20 0 GCADHN Cc1ccc(Cl)cc1N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420201120 1194203419 /nfs/dbraw/zinc/20/34/19/1194203419.db2.gz NQYXHYHSIOWHEY-OAHLLOKOSA-N 0 3 380.876 0.402 20 0 GCADHN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420201689 1194203513 /nfs/dbraw/zinc/20/35/13/1194203513.db2.gz OGYCDUKDJJHHIS-IAGOWNOFSA-N 0 3 391.468 0.307 20 0 GCADHN COc1cccc([C@H](C)N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000420202073 1194203846 /nfs/dbraw/zinc/20/38/46/1194203846.db2.gz PBQSWEYZTOMDGS-MAUKXSAKSA-N 0 3 390.484 0.005 20 0 GCADHN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420201781 1194204116 /nfs/dbraw/zinc/20/41/16/1194204116.db2.gz OTAHETHZWNWUKO-CVEARBPZSA-N 0 3 385.468 0.440 20 0 GCADHN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420201791 1194204199 /nfs/dbraw/zinc/20/41/99/1194204199.db2.gz OTAHETHZWNWUKO-JKSUJKDBSA-N 0 3 385.468 0.440 20 0 GCADHN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000420206608 1194204673 /nfs/dbraw/zinc/20/46/73/1194204673.db2.gz SQGASVHHTUKWGT-ZWKOTPCHSA-N 0 3 391.468 0.307 20 0 GCADHN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420205790 1194205203 /nfs/dbraw/zinc/20/52/03/1194205203.db2.gz SGVCUTNADORQRT-RHSMWYFYSA-N 0 3 394.903 0.650 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000420187226 1194205793 /nfs/dbraw/zinc/20/57/93/1194205793.db2.gz BKFZCLWTCNEFAL-CQSZACIVSA-N 0 3 383.395 0.439 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000420189310 1194206375 /nfs/dbraw/zinc/20/63/75/1194206375.db2.gz DJPRQSOUEZMLBP-TZMCWYRMSA-N 0 3 390.465 0.301 20 0 GCADHN COCCN(Cc1ccc(F)cc1Cl)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420187736 1194206524 /nfs/dbraw/zinc/20/65/24/1194206524.db2.gz BSRGRYCRYCTUSN-CQSZACIVSA-N 0 3 387.839 0.559 20 0 GCADHN COc1ccc([C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CNCCO2)c(OC)c1 ZINC000420191478 1194207255 /nfs/dbraw/zinc/20/72/55/1194207255.db2.gz HGXMHQXCZAUFGK-ZBFHGGJFSA-N 0 3 377.441 0.472 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000420192833 1194208035 /nfs/dbraw/zinc/20/80/35/1194208035.db2.gz IJOMJXXMZOJIMX-OAHLLOKOSA-N 0 3 381.423 0.851 20 0 GCADHN COc1ccccc1CC1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420193474 1194208331 /nfs/dbraw/zinc/20/83/31/1194208331.db2.gz IZPRZJDZGQVBCK-QGZVFWFLSA-N 0 3 375.469 0.581 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000420194300 1194208494 /nfs/dbraw/zinc/20/84/94/1194208494.db2.gz JRPFFPGMOGIDQY-QZTJIDSGSA-N 0 3 375.469 0.341 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000420196155 1194208753 /nfs/dbraw/zinc/20/87/53/1194208753.db2.gz LDRRXHMVYQJLLA-GJZGRUSLSA-N 0 3 399.394 0.293 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000420195497 1194209119 /nfs/dbraw/zinc/20/91/19/1194209119.db2.gz HJCYNQFOXCIJML-AWEZNQCLSA-N 0 3 381.423 0.851 20 0 GCADHN O=C(CCC1CCCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420208412 1194211580 /nfs/dbraw/zinc/21/15/80/1194211580.db2.gz YDRRRIIIXKPLQW-KRWDZBQOSA-N 0 3 394.516 0.122 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000420209768 1194212294 /nfs/dbraw/zinc/21/22/94/1194212294.db2.gz ZSPFBVHBENFSML-SFHVURJKSA-N 0 3 375.469 0.546 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000420214638 1194213897 /nfs/dbraw/zinc/21/38/97/1194213897.db2.gz ZPZVINPCGUPGSY-ZDUSSCGKSA-N 0 3 376.844 0.742 20 0 GCADHN O=C(NCCCN1CCc2ccccc2C1)NCCS(=O)(=O)NC1CC1 ZINC000501708232 1194223044 /nfs/dbraw/zinc/22/30/44/1194223044.db2.gz GYYIHROQFYWTGZ-UHFFFAOYSA-N 0 3 380.514 0.816 20 0 GCADHN COCCN(C(=O)CN1CCNC[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000420391276 1194226626 /nfs/dbraw/zinc/22/66/26/1194226626.db2.gz AMKKKROGWMGAER-ZWKOTPCHSA-N 0 3 395.525 0.295 20 0 GCADHN COC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1C ZINC000420477534 1194231322 /nfs/dbraw/zinc/23/13/22/1194231322.db2.gz JYIXOPWWZJNLJX-CQSZACIVSA-N 0 3 393.469 0.858 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1C ZINC000420478885 1194233080 /nfs/dbraw/zinc/23/30/80/1194233080.db2.gz MEXIEFMJHHJCLW-AWEZNQCLSA-N 0 3 393.469 0.858 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000420639391 1194252621 /nfs/dbraw/zinc/25/26/21/1194252621.db2.gz QAVSENMNXOKLOD-KBPBESRZSA-N 0 3 394.520 0.744 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)n1 ZINC000420639395 1194252746 /nfs/dbraw/zinc/25/27/46/1194252746.db2.gz QAVSENMNXOKLOD-UONOGXRCSA-N 0 3 394.520 0.744 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(CC(=O)OC)c(F)c2)CC1 ZINC000420718273 1194258050 /nfs/dbraw/zinc/25/80/50/1194258050.db2.gz FPQDMEJOGBIWQB-UHFFFAOYSA-N 0 3 387.477 0.457 20 0 GCADHN COCCN1CCC(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CC1 ZINC000502041749 1194260344 /nfs/dbraw/zinc/26/03/44/1194260344.db2.gz PAHVXLHASIFEKG-VYDXJSESSA-N 0 3 384.546 0.939 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000420769493 1194264298 /nfs/dbraw/zinc/26/42/98/1194264298.db2.gz JADMYQAKQZCBBD-OALUTQOASA-N 0 3 388.512 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ZINC000420849909 1194269030 /nfs/dbraw/zinc/26/90/30/1194269030.db2.gz UWJURLZLLMMMIL-FUHWJXTLSA-N 0 3 376.501 0.967 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1)c1ccccc1 ZINC000420857918 1194269440 /nfs/dbraw/zinc/26/94/40/1194269440.db2.gz IBHMDSWRWUFKSB-JQHSSLGASA-N 0 3 377.485 0.794 20 0 GCADHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000502131241 1194270796 /nfs/dbraw/zinc/27/07/96/1194270796.db2.gz ZZXNKDHPQOFWJI-YCPHGPKFSA-N 0 3 385.472 0.684 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)o1 ZINC000502228289 1194282990 /nfs/dbraw/zinc/28/29/90/1194282990.db2.gz CMCONWBHYNWBGF-IAGOWNOFSA-N 0 3 390.484 0.748 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000421045391 1194288151 /nfs/dbraw/zinc/28/81/51/1194288151.db2.gz UXOOPDRYVILHPR-OALUTQOASA-N 0 3 388.512 0.729 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)Cc2ccccc2C1 ZINC000502273099 1194290119 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/nfs/dbraw/zinc/46/78/78/1194467878.db2.gz GIDMVIXCCZBALD-KEYYUXOJSA-N 0 3 385.468 0.745 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)[C@@H](C)O)cc1 ZINC000272533992 1194470608 /nfs/dbraw/zinc/47/06/08/1194470608.db2.gz XDGDFTYVGLBMRF-ADAWSYLGSA-N 0 3 395.525 0.764 20 0 GCADHN COc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)NC[C@@H]2C)cc1OC ZINC000272558445 1194473169 /nfs/dbraw/zinc/47/31/69/1194473169.db2.gz LKJRJQCTDICFRM-STQMWFEESA-N 0 3 385.486 0.581 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000272613357 1194478503 /nfs/dbraw/zinc/47/85/03/1194478503.db2.gz OMIRODJLHPONPY-KRWDZBQOSA-N 0 3 390.484 0.110 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(F)c(F)cc2C(=O)OC)CC1 ZINC000272628318 1194479855 /nfs/dbraw/zinc/47/98/55/1194479855.db2.gz AHLKVLZRHHGYIE-UHFFFAOYSA-N 0 3 398.410 0.444 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C)cc2C(=O)OC)CC1 ZINC000272653605 1194483348 /nfs/dbraw/zinc/48/33/48/1194483348.db2.gz GDPGHTQJUBPTRO-UHFFFAOYSA-N 0 3 376.457 0.474 20 0 GCADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)CN2CCCS2(=O)=O)cc1 ZINC000272654601 1194483831 /nfs/dbraw/zinc/48/38/31/1194483831.db2.gz NNCVILDPHYRPHG-QGZVFWFLSA-N 0 3 381.498 0.984 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000272661895 1194484313 /nfs/dbraw/zinc/48/43/13/1194484313.db2.gz ROAFDAZGVCTPET-IAGOWNOFSA-N 0 3 386.500 0.458 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@@H](C)O)cc1 ZINC000272711926 1194490136 /nfs/dbraw/zinc/49/01/36/1194490136.db2.gz YABVKPRWGSTBML-FZCLSBEQSA-N 0 3 395.525 0.575 20 0 GCADHN C[C@H](NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C1=CCN(C)CC1 ZINC000272730383 1194492755 /nfs/dbraw/zinc/49/27/55/1194492755.db2.gz KQCKTROVKGEIPS-HNNXBMFYSA-N 0 3 399.495 0.708 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000272736471 1194493613 /nfs/dbraw/zinc/49/36/13/1194493613.db2.gz QFEKDHMSJYJBCO-HNNXBMFYSA-N 0 3 390.484 0.802 20 0 GCADHN COc1ncncc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000272860541 1194512184 /nfs/dbraw/zinc/51/21/84/1194512184.db2.gz IZIWFQOKEXHNSP-CVEARBPZSA-N 0 3 399.451 0.423 20 0 GCADHN CN(CCN1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1)Cc1ccccc1 ZINC000272873930 1194513659 /nfs/dbraw/zinc/51/36/59/1194513659.db2.gz WSOXSOLFKUECKP-UHFFFAOYSA-N 0 3 394.479 0.912 20 0 GCADHN CCOC(=O)c1c(NC(=O)C(=O)NCCN(C)C)cc(OC)c(OC)c1OC ZINC000272881519 1194514648 /nfs/dbraw/zinc/51/46/48/1194514648.db2.gz NMJJVJKDHOEDHX-UHFFFAOYSA-N 0 3 397.428 0.505 20 0 GCADHN CCOC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000272971321 1194525779 /nfs/dbraw/zinc/52/57/79/1194525779.db2.gz XFXPSFHCZVWVTA-OAHLLOKOSA-N 0 3 390.484 0.802 20 0 GCADHN CC1([C@H]2CCCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)OCCO1 ZINC000273135225 1194542194 /nfs/dbraw/zinc/54/21/94/1194542194.db2.gz UJQMLOFOMMRQRZ-INIZCTEOSA-N 0 3 391.468 0.642 20 0 GCADHN CC1([C@@H]2CCCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)OCCO1 ZINC000273135228 1194542238 /nfs/dbraw/zinc/54/22/38/1194542238.db2.gz UJQMLOFOMMRQRZ-MRXNPFEDSA-N 0 3 391.468 0.642 20 0 GCADHN Cn1c2[n-]c(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C3CC3)nc2c(=O)n(C)c1=O ZINC000273240693 1194548530 /nfs/dbraw/zinc/54/85/30/1194548530.db2.gz HJLWLFQCVBZWMY-LLVKDONJSA-N 0 3 392.460 0.353 20 0 GCADHN CCN1CCCN(C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000273283133 1194551889 /nfs/dbraw/zinc/55/18/89/1194551889.db2.gz WYCFTOWAVILWHF-UHFFFAOYSA-N 0 3 379.457 0.996 20 0 GCADHN NC(=O)C[C@@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000273298624 1194552731 /nfs/dbraw/zinc/55/27/31/1194552731.db2.gz NQVAVJLCYUFLEC-OAHLLOKOSA-N 0 3 382.486 0.686 20 0 GCADHN NC(=O)C[C@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000273298620 1194552767 /nfs/dbraw/zinc/55/27/67/1194552767.db2.gz NQVAVJLCYUFLEC-HNNXBMFYSA-N 0 3 382.486 0.686 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000273310168 1194553723 /nfs/dbraw/zinc/55/37/23/1194553723.db2.gz MTFJNZILRRUNRA-UHFFFAOYSA-N 0 3 391.472 0.235 20 0 GCADHN CCOC(=O)COc1ccc(NC(=O)C(=O)NCCN(C)CCCOC)cc1 ZINC000273336668 1194556067 /nfs/dbraw/zinc/55/60/67/1194556067.db2.gz QCAAPOHEXOUVET-UHFFFAOYSA-N 0 3 395.456 0.652 20 0 GCADHN Cn1nnc2cc(C(=O)N[C@H]3CCN(Cc4ccccc4)C[C@H]3CO)cnc21 ZINC000273343489 1194556602 /nfs/dbraw/zinc/55/66/02/1194556602.db2.gz RJCNBBYNXBYMMM-IRXDYDNUSA-N 0 3 380.452 0.976 20 0 GCADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCCN2CCN(C)CC2)no1 ZINC000273410179 1194561633 /nfs/dbraw/zinc/56/16/33/1194561633.db2.gz MRDGZBZVJLQBBI-AWEZNQCLSA-N 0 3 383.518 0.797 20 0 GCADHN CC(C)OCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000273478246 1194566105 /nfs/dbraw/zinc/56/61/05/1194566105.db2.gz ZFJNQPRQWWTVGD-UHFFFAOYSA-N 0 3 378.429 0.636 20 0 GCADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000422256807 1194594412 /nfs/dbraw/zinc/59/44/12/1194594412.db2.gz GHIINVGTVRJPHR-IAGOWNOFSA-N 0 3 398.548 0.029 20 0 GCADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000422267362 1194596123 /nfs/dbraw/zinc/59/61/23/1194596123.db2.gz XUTRJCGGOJPOMD-HIFRSBDPSA-N 0 3 396.513 0.325 20 0 GCADHN COC(=O)[C@H]1CSCCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000422280131 1194599991 /nfs/dbraw/zinc/59/99/91/1194599991.db2.gz URHGBMDLDWJKAK-LSDHHAIUSA-N 0 3 385.530 0.588 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)CN1CCOCC1 ZINC000422281800 1194600773 /nfs/dbraw/zinc/60/07/73/1194600773.db2.gz KANBCGGPIWPECT-MRXNPFEDSA-N 0 3 396.557 0.723 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000422261807 1194601844 /nfs/dbraw/zinc/60/18/44/1194601844.db2.gz PSUXHLBJXZOHAQ-HZPDHXFCSA-N 0 3 383.533 0.907 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1Cc2cccc(F)c2C1 ZINC000422293592 1194605488 /nfs/dbraw/zinc/60/54/88/1194605488.db2.gz LJOITLYRQLYPGX-QGZVFWFLSA-N 0 3 390.459 0.727 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)CC2 ZINC000422292120 1194606031 /nfs/dbraw/zinc/60/60/31/1194606031.db2.gz HVMMKUQWTANKQX-OAHLLOKOSA-N 0 3 390.513 0.669 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H](CC)O1 ZINC000422294363 1194606526 /nfs/dbraw/zinc/60/65/26/1194606526.db2.gz MKPXVXGIONBBCP-ZACQAIPSSA-N 0 3 396.532 0.461 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000422306734 1194610828 /nfs/dbraw/zinc/61/08/28/1194610828.db2.gz DLRUVBHOCVUWGZ-UHFFFAOYSA-N 0 3 392.529 0.754 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NC[C@@]3(C)CCOC3)ccc2oc1=O ZINC000503278045 1194614009 /nfs/dbraw/zinc/61/40/09/1194614009.db2.gz RUQFKHSDBROKSD-LJQANCHMSA-N 0 3 390.440 0.637 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NC[C@]3(C)CCOC3)ccc2oc1=O ZINC000503278044 1194614161 /nfs/dbraw/zinc/61/41/61/1194614161.db2.gz RUQFKHSDBROKSD-IBGZPJMESA-N 0 3 390.440 0.637 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000422324212 1194614284 /nfs/dbraw/zinc/61/42/84/1194614284.db2.gz HRJSZJGSHWCVTA-NEPJUHHUSA-N 0 3 378.395 0.207 20 0 GCADHN COc1cccc2c1C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C2 ZINC000422343519 1194621301 /nfs/dbraw/zinc/62/13/01/1194621301.db2.gz VFGGRKPDJKMCMO-MRXNPFEDSA-N 0 3 388.512 0.421 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)Cc2ccccc2C1 ZINC000422348470 1194621738 /nfs/dbraw/zinc/62/17/38/1194621738.db2.gz FHTCWDGTTKGYKY-MRXNPFEDSA-N 0 3 394.466 0.657 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000503307407 1194626160 /nfs/dbraw/zinc/62/61/60/1194626160.db2.gz DYJQVCPVLAIUKV-KRWDZBQOSA-N 0 3 395.529 0.695 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000503307407 1194626163 /nfs/dbraw/zinc/62/61/63/1194626163.db2.gz DYJQVCPVLAIUKV-KRWDZBQOSA-N 0 3 395.529 0.695 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000422403410 1194628132 /nfs/dbraw/zinc/62/81/32/1194628132.db2.gz VKUYMSRPIMKZRU-NEWSRXKRSA-N 0 3 391.512 0.867 20 0 GCADHN C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000422380138 1194629743 /nfs/dbraw/zinc/62/97/43/1194629743.db2.gz AXSZDBJWLRLACR-HOCLYGCPSA-N 0 3 383.514 0.949 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000422389880 1194632882 /nfs/dbraw/zinc/63/28/82/1194632882.db2.gz ZRLHQTWFLBNRGJ-IAGOWNOFSA-N 0 3 378.517 0.836 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000422391575 1194633541 /nfs/dbraw/zinc/63/35/41/1194633541.db2.gz VWNNYUXJAUREOT-DLBZAZTESA-N 0 3 378.517 0.979 20 0 GCADHN Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(C)C[C@H]3CCCN3C)C2=O)cc1 ZINC000422393310 1194634895 /nfs/dbraw/zinc/63/48/95/1194634895.db2.gz CSHDUCWNOOFUBL-QZTJIDSGSA-N 0 3 386.496 0.765 20 0 GCADHN CC(C)(C)n1nnc(CCN2CC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001028703778 1194637836 /nfs/dbraw/zinc/63/78/36/1194637836.db2.gz JFUGKDNSJOZKKX-CNRFMZSYSA-N 0 3 388.516 0.832 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000422406794 1194639371 /nfs/dbraw/zinc/63/93/71/1194639371.db2.gz YHQCTBRFLOTWTQ-WFASDCNBSA-N 0 3 394.422 0.739 20 0 GCADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000422412366 1194640599 /nfs/dbraw/zinc/64/05/99/1194640599.db2.gz PNDDLZYJUKPESW-UHFFFAOYSA-N 0 3 382.530 0.917 20 0 GCADHN COCC(COC)N1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000422436615 1194644764 /nfs/dbraw/zinc/64/47/64/1194644764.db2.gz WKOBDCONERQONI-QGZVFWFLSA-N 0 3 398.548 0.029 20 0 GCADHN COC(=O)[C@H]1CSCCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000422437104 1194645379 /nfs/dbraw/zinc/64/53/79/1194645379.db2.gz YUQTYFWDGJQPGN-ZIAGYGMSSA-N 0 3 385.530 0.588 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCOCC2CCCC2)CC1 ZINC000422466334 1194645842 /nfs/dbraw/zinc/64/58/42/1194645842.db2.gz SFJIJHIGSLRUEB-UHFFFAOYSA-N 0 3 394.516 0.076 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nc1C ZINC000422469222 1194647052 /nfs/dbraw/zinc/64/70/52/1194647052.db2.gz COHZIUYRSILGFV-QGZVFWFLSA-N 0 3 387.484 0.080 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCc2ccc(C)cn2)CC1 ZINC000422453435 1194648558 /nfs/dbraw/zinc/64/85/58/1194648558.db2.gz JFFPQYGKQIAKNK-UHFFFAOYSA-N 0 3 389.500 0.061 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCOCC2CCCC2)CC1 ZINC000422464037 1194650622 /nfs/dbraw/zinc/65/06/22/1194650622.db2.gz LLHXSRWYBXFDPQ-QGZVFWFLSA-N 0 3 394.516 0.074 20 0 GCADHN CCn1ccc(CNC(=O)C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000422496268 1194652303 /nfs/dbraw/zinc/65/23/03/1194652303.db2.gz QYYPUFILWHQGNR-HOTGVXAUSA-N 0 3 391.516 0.867 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422520665 1194660050 /nfs/dbraw/zinc/66/00/50/1194660050.db2.gz RQVJGDKJBRZEBL-HZPDHXFCSA-N 0 3 376.432 0.600 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000422522064 1194660294 /nfs/dbraw/zinc/66/02/94/1194660294.db2.gz VETYNIPRDWZKLV-IRXDYDNUSA-N 0 3 390.459 0.988 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@@](C)(OC)C2CC2)CC1 ZINC000422535577 1194664308 /nfs/dbraw/zinc/66/43/08/1194664308.db2.gz WGGQKECZAWURAV-MGPUTAFESA-N 0 3 396.532 0.319 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1)N1CCC[C@H](C)C1 ZINC000422577020 1194671140 /nfs/dbraw/zinc/67/11/40/1194671140.db2.gz AKFWWMGGJJOTEF-HOTGVXAUSA-N 0 3 383.533 0.907 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)OC)CC1 ZINC000422578156 1194671173 /nfs/dbraw/zinc/67/11/73/1194671173.db2.gz VRWYMNFTVQJTMK-OAHLLOKOSA-N 0 3 378.473 0.916 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000422581168 1194671500 /nfs/dbraw/zinc/67/15/00/1194671500.db2.gz ORQGQGDYJVTWMU-INIZCTEOSA-N 0 3 399.532 0.240 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H]1CC1(C)C ZINC000422583391 1194672236 /nfs/dbraw/zinc/67/22/36/1194672236.db2.gz WYXPDRPFQNLJLA-PMPSAXMXSA-N 0 3 378.517 0.692 20 0 GCADHN NCC(=O)N1CCC[C@@H](CN2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000414679216 1194682706 /nfs/dbraw/zinc/68/27/06/1194682706.db2.gz RJLDAWAUNHJWEI-INIZCTEOSA-N 0 3 392.475 0.546 20 0 GCADHN CCOC(=O)[C@H]1NCC[C@@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000422708656 1194690985 /nfs/dbraw/zinc/69/09/85/1194690985.db2.gz CEFSQPUYZIUNEE-ROUUACIJSA-N 0 3 380.533 0.594 20 0 GCADHN CC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503627264 1194701693 /nfs/dbraw/zinc/70/16/93/1194701693.db2.gz LMOBIWFHBVHUOO-UHFFFAOYSA-N 0 3 386.452 0.594 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc3cnccc32)CC1 ZINC000503630563 1194702061 /nfs/dbraw/zinc/70/20/61/1194702061.db2.gz WFZYGFVVWYZWDV-UHFFFAOYSA-N 0 3 395.463 0.940 20 0 GCADHN CCOC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)cc1 ZINC000041718400 1194702839 /nfs/dbraw/zinc/70/28/39/1194702839.db2.gz YLVPSCWEMUSNCX-UHFFFAOYSA-N 0 3 376.457 0.556 20 0 GCADHN N[C@H](C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CCC1 ZINC000422946845 1194712193 /nfs/dbraw/zinc/71/21/93/1194712193.db2.gz PLIXDMXDNXSLJO-KRWDZBQOSA-N 0 3 381.498 0.592 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](SC)C2)CC1 ZINC000503802377 1194721856 /nfs/dbraw/zinc/72/18/56/1194721856.db2.gz XYYTZMKVLFSWOY-HZPDHXFCSA-N 0 3 398.573 0.789 20 0 GCADHN CCC[C@@H](C)C(=O)NCCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000458848807 1194725470 /nfs/dbraw/zinc/72/54/70/1194725470.db2.gz SKBCWHMCTYHMCP-MRXNPFEDSA-N 0 3 383.537 0.734 20 0 GCADHN C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000423125046 1194729269 /nfs/dbraw/zinc/72/92/69/1194729269.db2.gz HHAMNGHHQNVETH-AWEZNQCLSA-N 0 3 388.468 0.262 20 0 GCADHN CCC(CC)N(CCOC)C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423144529 1194733699 /nfs/dbraw/zinc/73/36/99/1194733699.db2.gz YYKZZSUOUASHIS-INIZCTEOSA-N 0 3 380.493 0.564 20 0 GCADHN N[C@@H](CC1CCCCC1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000423233315 1194742452 /nfs/dbraw/zinc/74/24/52/1194742452.db2.gz DLYDLGOVDWNMIN-INIZCTEOSA-N 0 3 384.502 0.946 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccc3c2ccn(C)c3=O)CC1 ZINC000504009876 1194743051 /nfs/dbraw/zinc/74/30/51/1194743051.db2.gz YXZHYSSXXDVXLC-UHFFFAOYSA-N 0 3 386.452 0.704 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)CNCCO4)CC2)on1 ZINC000414726206 1194744032 /nfs/dbraw/zinc/74/40/32/1194744032.db2.gz NKKGOBKYOBWGMF-UHFFFAOYSA-N 0 3 399.451 0.748 20 0 GCADHN CC[C@@H](C(=O)OC)N1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000504026951 1194744808 /nfs/dbraw/zinc/74/48/08/1194744808.db2.gz QRIJCFMJLNVHCM-INIZCTEOSA-N 0 3 383.537 0.291 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCc4c(F)cccc4C3)C2)nn1 ZINC000423291352 1194745175 /nfs/dbraw/zinc/74/51/75/1194745175.db2.gz HYGCQFMNJAXFMS-OAHLLOKOSA-N 0 3 386.431 0.624 20 0 GCADHN COC[C@H](O)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504048318 1194747478 /nfs/dbraw/zinc/74/74/78/1194747478.db2.gz JNEHEIWRALAADG-QGZVFWFLSA-N 0 3 378.473 0.279 20 0 GCADHN Cc1nc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc(N2CC[C@@H]3NC(=O)CC[C@H]3C2)n1 ZINC000664344783 1194747502 /nfs/dbraw/zinc/74/75/02/1194747502.db2.gz PLXMTSFNCVRBTD-YVSFHVDLSA-N 0 3 398.511 0.995 20 0 GCADHN Cc1nc(N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)n1 ZINC000664344542 1194748701 /nfs/dbraw/zinc/74/87/01/1194748701.db2.gz PLXMTSFNCVRBTD-VQHPVUNQSA-N 0 3 398.511 0.995 20 0 GCADHN CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000423328780 1194749051 /nfs/dbraw/zinc/74/90/51/1194749051.db2.gz SHRXFKLGPVSPQQ-VBNZEHGJSA-N 0 3 399.488 0.360 20 0 GCADHN C[C@H]1Cc2ccccc2CN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423379079 1194752048 /nfs/dbraw/zinc/75/20/48/1194752048.db2.gz CSWWHBWMWBPWPW-KBXCAEBGSA-N 0 3 382.468 0.874 20 0 GCADHN CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1(C)C ZINC000423383263 1194752417 /nfs/dbraw/zinc/75/24/17/1194752417.db2.gz DYFCEAXZCJXQFI-OWCLPIDISA-N 0 3 392.504 0.562 20 0 GCADHN NCC(=O)N1CCC[C@H](CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000414740947 1194753976 /nfs/dbraw/zinc/75/39/76/1194753976.db2.gz RLPICJMSVNTUCD-OAHLLOKOSA-N 0 3 388.468 0.370 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N2CCC(CCCN3CCOCC3)CC2)C[C@H](C)N1 ZINC000423452016 1194756378 /nfs/dbraw/zinc/75/63/78/1194756378.db2.gz VRKZRLXCAIRJTP-IRXDYDNUSA-N 0 3 380.533 0.546 20 0 GCADHN COC(=O)CN(Cc1cc(OC)cc(OC)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414749009 1194762221 /nfs/dbraw/zinc/76/22/21/1194762221.db2.gz PHAMKLLDAZZNBR-OAHLLOKOSA-N 0 3 393.484 0.876 20 0 GCADHN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423617878 1194774369 /nfs/dbraw/zinc/77/43/69/1194774369.db2.gz YBYDGJHXDKZJSC-CQSZACIVSA-N 0 3 380.439 0.992 20 0 GCADHN CCCN(C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660360 1194781057 /nfs/dbraw/zinc/78/10/57/1194781057.db2.gz KFBFIAOONNCFDB-MRXNPFEDSA-N 0 3 388.468 0.277 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)N(CCN)Cc2ccccc2)C[C@@H](C)S1(=O)=O ZINC000423670791 1194782423 /nfs/dbraw/zinc/78/24/23/1194782423.db2.gz VNYIGCRSKUOAOS-GDBMZVCRSA-N 0 3 381.498 0.398 20 0 GCADHN CC[C@H]1CN(C(=O)C(=O)N(CCN)Cc2ccccc2)C[C@H](C)S1(=O)=O ZINC000423670798 1194782455 /nfs/dbraw/zinc/78/24/55/1194782455.db2.gz VNYIGCRSKUOAOS-HOCLYGCPSA-N 0 3 381.498 0.398 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C[C@@H]1C[NH3+] ZINC000423702964 1194784102 /nfs/dbraw/zinc/78/41/02/1194784102.db2.gz AUKCKGITGFYWPS-CABCVRRESA-N 0 3 388.468 0.120 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)CCN1 ZINC000423675949 1194784546 /nfs/dbraw/zinc/78/45/46/1194784546.db2.gz IGJFCWRTAUVLDT-CQSZACIVSA-N 0 3 382.468 0.998 20 0 GCADHN C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423689021 1194786235 /nfs/dbraw/zinc/78/62/35/1194786235.db2.gz XUNUPPYXXVBVPZ-GOEBONIOSA-N 0 3 388.468 0.405 20 0 GCADHN C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000423729573 1194790159 /nfs/dbraw/zinc/79/01/59/1194790159.db2.gz KLXHQYFDMWVLMA-LSDHHAIUSA-N 0 3 388.468 0.262 20 0 GCADHN C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000423729569 1194790233 /nfs/dbraw/zinc/79/02/33/1194790233.db2.gz KLXHQYFDMWVLMA-GJZGRUSLSA-N 0 3 388.468 0.262 20 0 GCADHN C[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)[C@H]1CN ZINC000423744115 1194791098 /nfs/dbraw/zinc/79/10/98/1194791098.db2.gz WALHSFCGGIRCTJ-GJZGRUSLSA-N 0 3 385.530 0.532 20 0 GCADHN CCN(CCCNC(=O)N(CCN(C)C)Cc1ccccn1)S(C)(=O)=O ZINC000504422184 1194794356 /nfs/dbraw/zinc/79/43/56/1194794356.db2.gz QBGATPGCACFHRQ-UHFFFAOYSA-N 0 3 385.534 0.826 20 0 GCADHN CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CNCCO1 ZINC000423992052 1194797365 /nfs/dbraw/zinc/79/73/65/1194797365.db2.gz NPJQUXRCCZFTBH-ILXRZTDVSA-N 0 3 384.521 0.317 20 0 GCADHN CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@H]1CNCCO1 ZINC000423992053 1194797451 /nfs/dbraw/zinc/79/74/51/1194797451.db2.gz NPJQUXRCCZFTBH-KFWWJZLASA-N 0 3 384.521 0.317 20 0 GCADHN CSCC[C@H](C(=O)NC[C@@H]1CNCCO1)N1C(=O)c2ccccc2C1=O ZINC000423994770 1194797574 /nfs/dbraw/zinc/79/75/74/1194797574.db2.gz TVMMTIFLGZNICO-SWLSCSKDSA-N 0 3 377.466 0.509 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000423990855 1194798325 /nfs/dbraw/zinc/79/83/25/1194798325.db2.gz DCGORUFFKRPCNV-KBPBESRZSA-N 0 3 381.860 0.672 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000423998040 1194798362 /nfs/dbraw/zinc/79/83/62/1194798362.db2.gz ZDYHFZHLAFKTFF-INIZCTEOSA-N 0 3 397.497 0.395 20 0 GCADHN CCCC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000504660186 1194802169 /nfs/dbraw/zinc/80/21/69/1194802169.db2.gz JQHKGZKZFHEIJG-INIZCTEOSA-N 0 3 382.505 0.074 20 0 GCADHN CCCC[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000504636348 1194802217 /nfs/dbraw/zinc/80/22/17/1194802217.db2.gz DKBJMZMBGAFSHE-CVEARBPZSA-N 0 3 382.505 0.073 20 0 GCADHN CCCNC(=S)N1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001279123593 1194808592 /nfs/dbraw/zinc/80/85/92/1194808592.db2.gz RSBNKSQRVZZJNV-IBGZPJMESA-N 0 3 381.590 0.833 20 0 GCADHN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NC[C@H]1CNCCO1 ZINC000414798903 1194825083 /nfs/dbraw/zinc/82/50/83/1194825083.db2.gz ZRECTPSHYFCYGX-GFCCVEGCSA-N 0 3 384.458 0.246 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CCCNC(=O)c2ccco2)CC1 ZINC000505348379 1194835334 /nfs/dbraw/zinc/83/53/34/1194835334.db2.gz HICBNDDBYKIIBK-UHFFFAOYSA-N 0 3 378.473 0.802 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000505374746 1194835479 /nfs/dbraw/zinc/83/54/79/1194835479.db2.gz HWJNFFIEFKHTFH-UHFFFAOYSA-N 0 3 395.504 0.110 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccnc2OCCOC)CC1 ZINC000505356190 1194835490 /nfs/dbraw/zinc/83/54/90/1194835490.db2.gz SCJSWYQTOCRQED-UHFFFAOYSA-N 0 3 378.473 0.733 20 0 GCADHN CCNC(=O)NC1(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CCCC1 ZINC000505356237 1194835695 /nfs/dbraw/zinc/83/56/95/1194835695.db2.gz SRYHBEUFEQJFFH-UHFFFAOYSA-N 0 3 381.521 0.631 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CSc2nnnn2C2CC2)CC1 ZINC000505406302 1194837272 /nfs/dbraw/zinc/83/72/72/1194837272.db2.gz XJLNTLCYAVCQDE-UHFFFAOYSA-N 0 3 381.506 0.113 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000434459001 1194845884 /nfs/dbraw/zinc/84/58/84/1194845884.db2.gz IUPOBRVTDRHLIO-UHFFFAOYSA-N 0 3 381.521 0.047 20 0 GCADHN O=C(NCC1(N2CCOCC2)CC1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000434465409 1194846095 /nfs/dbraw/zinc/84/60/95/1194846095.db2.gz OLLGXAZRLLCCLO-OAQYLSRUSA-N 0 3 388.512 0.787 20 0 GCADHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000514236725 1194858673 /nfs/dbraw/zinc/85/86/73/1194858673.db2.gz XWHCIDBVBGCOBO-HUUCEWRRSA-N 0 3 384.521 0.223 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000332933608 1194861444 /nfs/dbraw/zinc/86/14/44/1194861444.db2.gz UQTAGYSPZTWSFI-BBRMVZONSA-N 0 3 397.501 0.314 20 0 GCADHN COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)C[C@@H]2CNCCO2)c1 ZINC000430081729 1194863565 /nfs/dbraw/zinc/86/35/65/1194863565.db2.gz QRBFLSNHYRVRJH-OAHLLOKOSA-N 0 3 376.417 0.016 20 0 GCADHN CC1=C(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@H](C)n2ncnc2N1C ZINC000281543426 1194867882 /nfs/dbraw/zinc/86/78/82/1194867882.db2.gz IUJLGYIOQSCGFG-GJZGRUSLSA-N 0 3 389.504 0.622 20 0 GCADHN COC[C@@H](NCC(=O)NCc1ccccc1CN1CCOCC1)[C@@H]1CCCO1 ZINC000434790397 1194869752 /nfs/dbraw/zinc/86/97/52/1194869752.db2.gz UIFXYCWQZMVYNW-UXHICEINSA-N 0 3 391.512 0.919 20 0 GCADHN O=C(CCN1CCN(C(=O)CN2CCCC2)CC1)NC(=O)NCC(F)(F)F ZINC000434844849 1194872631 /nfs/dbraw/zinc/87/26/31/1194872631.db2.gz WSZAPNLXRAJESY-UHFFFAOYSA-N 0 3 393.410 0.005 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000434838409 1194873352 /nfs/dbraw/zinc/87/33/52/1194873352.db2.gz KJDLJISBOVHVFM-MRXNPFEDSA-N 0 3 388.468 0.713 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000434841158 1194873392 /nfs/dbraw/zinc/87/33/92/1194873392.db2.gz XJRVGQGQXOYNCG-GDBMZVCRSA-N 0 3 393.488 0.779 20 0 GCADHN CC(C)(C)n1nnc(CCN2CC[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1 ZINC001028817692 1194879277 /nfs/dbraw/zinc/87/92/77/1194879277.db2.gz DRXPJGBHDBEFAW-JJXSEGSLSA-N 0 3 376.505 0.976 20 0 GCADHN C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CCN1Cc1ccccc1 ZINC000366612646 1194879695 /nfs/dbraw/zinc/87/96/95/1194879695.db2.gz YGMJQSHOIUUNPD-YOEHRIQHSA-N 0 3 391.497 0.478 20 0 GCADHN C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000514588413 1194885794 /nfs/dbraw/zinc/88/57/94/1194885794.db2.gz BKJPPHQNUHBMSH-YOEHRIQHSA-N 0 3 388.468 0.429 20 0 GCADHN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)CC1 ZINC000435105018 1194890016 /nfs/dbraw/zinc/89/00/16/1194890016.db2.gz IWVUSISKGCPSIK-RHSMWYFYSA-N 0 3 390.484 0.535 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000514680886 1194892313 /nfs/dbraw/zinc/89/23/13/1194892313.db2.gz MBQDCBLUFKFTAN-UHFFFAOYSA-N 0 3 376.501 0.498 20 0 GCADHN CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000435188330 1194896626 /nfs/dbraw/zinc/89/66/26/1194896626.db2.gz NHROCOGOWSBFQH-HIFRSBDPSA-N 0 3 380.489 0.713 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC(Cn3cncn3)CC2)CC1 ZINC000514717235 1194896826 /nfs/dbraw/zinc/89/68/26/1194896826.db2.gz NUPXDCRVKHSVKQ-UHFFFAOYSA-N 0 3 376.505 0.850 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2OCCc3ccccc32)CC1=O ZINC000425306967 1194904297 /nfs/dbraw/zinc/90/42/97/1194904297.db2.gz AREOTAZTKZIPKE-QFBILLFUSA-N 0 3 375.469 0.596 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccccc2-n2cccn2)CC1=O ZINC000425307670 1194904460 /nfs/dbraw/zinc/90/44/60/1194904460.db2.gz BJDAGWNNARIGPJ-INIZCTEOSA-N 0 3 385.468 0.781 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(NC(C)=O)c2C)CC1=O ZINC000425310371 1194905838 /nfs/dbraw/zinc/90/58/38/1194905838.db2.gz DUVWTNUELLTNKD-INIZCTEOSA-N 0 3 390.484 0.862 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(-c3ccncc3)on2)CC1=O ZINC000425311014 1194906108 /nfs/dbraw/zinc/90/61/08/1194906108.db2.gz FJYWYZITUYQRBQ-OAHLLOKOSA-N 0 3 387.440 0.646 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)CC1=O ZINC000425311877 1194906218 /nfs/dbraw/zinc/90/62/18/1194906218.db2.gz GATOGMCBLGVWOO-KGLIPLIRSA-N 0 3 394.438 0.166 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)CC1=O ZINC000425311866 1194906341 /nfs/dbraw/zinc/90/63/41/1194906341.db2.gz GATOGMCBLGVWOO-KBPBESRZSA-N 0 3 394.438 0.166 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2nn(C)c3c2CCCC3)CC1=O ZINC000425313600 1194906632 /nfs/dbraw/zinc/90/66/32/1194906632.db2.gz IMQKZHMFIHUJLT-CQSZACIVSA-N 0 3 377.489 0.208 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)CC1=O ZINC000425313162 1194906686 /nfs/dbraw/zinc/90/66/86/1194906686.db2.gz HUCGZPINEUTDLQ-HNNXBMFYSA-N 0 3 386.456 0.381 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)CC1=O ZINC000425313163 1194906820 /nfs/dbraw/zinc/90/68/20/1194906820.db2.gz HUCGZPINEUTDLQ-OAHLLOKOSA-N 0 3 386.456 0.381 20 0 GCADHN CCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000514784317 1194908358 /nfs/dbraw/zinc/90/83/58/1194908358.db2.gz AZFRHEDRPWPHMA-IUODEOHRSA-N 0 3 376.457 0.881 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)CCc2cccc3c2OCO3)CC1=O ZINC000425314921 1194908422 /nfs/dbraw/zinc/90/84/22/1194908422.db2.gz JSVWTBBKCTXWSY-INIZCTEOSA-N 0 3 391.468 0.643 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2noc3c2C[C@@H](C)CC3)CC1=O ZINC000425317987 1194909967 /nfs/dbraw/zinc/90/99/67/1194909967.db2.gz NZYQOWYBSKKBIL-KBPBESRZSA-N 0 3 378.473 0.708 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2noc3c2C[C@@H](C)CC3)CC1=O ZINC000425317989 1194910057 /nfs/dbraw/zinc/91/00/57/1194910057.db2.gz NZYQOWYBSKKBIL-UONOGXRCSA-N 0 3 378.473 0.708 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2noc3c2C[C@H](C)CC3)CC1=O ZINC000425317988 1194910267 /nfs/dbraw/zinc/91/02/67/1194910267.db2.gz NZYQOWYBSKKBIL-KGLIPLIRSA-N 0 3 378.473 0.708 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCCN2c2ccccc2)CC1=O ZINC000425325077 1194911682 /nfs/dbraw/zinc/91/16/82/1194911682.db2.gz WZSSWFRHGCPYRY-IEBWSBKVSA-N 0 3 388.512 0.951 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCN2c2ccccc2)CC1=O ZINC000425325076 1194911931 /nfs/dbraw/zinc/91/19/31/1194911931.db2.gz WZSSWFRHGCPYRY-HKUYNNGSSA-N 0 3 388.512 0.951 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1=O ZINC000425326659 1194912498 /nfs/dbraw/zinc/91/24/98/1194912498.db2.gz YWYGSUQUNSBRDN-CQSZACIVSA-N 0 3 389.456 0.188 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(C(C)=O)c(C)nc2C)CC1=O ZINC000425326627 1194912533 /nfs/dbraw/zinc/91/25/33/1194912533.db2.gz YOJSZHDSFFBBDQ-MRXNPFEDSA-N 0 3 390.484 0.810 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2c[nH]c(C(F)(F)F)c2)CC1=O ZINC000425319905 1194913067 /nfs/dbraw/zinc/91/30/67/1194913067.db2.gz QDEBOMSRGREERI-GFCCVEGCSA-N 0 3 376.379 0.942 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2Cc3c(cccc3C)O2)CC1=O ZINC000425321255 1194913594 /nfs/dbraw/zinc/91/35/94/1194913594.db2.gz ROMKFGSMBZECHZ-YJBOKZPZSA-N 0 3 375.469 0.594 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2c(C)nsc2NC2CC2)CC1=O ZINC000425323351 1194914170 /nfs/dbraw/zinc/91/41/70/1194914170.db2.gz UVVRCJSCJNHOES-CQSZACIVSA-N 0 3 395.529 0.935 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ncccc2CSC)CC1=O ZINC000425323723 1194914198 /nfs/dbraw/zinc/91/41/98/1194914198.db2.gz VFZVLQULPURCTB-HNNXBMFYSA-N 0 3 380.514 0.854 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)CC1=O ZINC000425323313 1194914205 /nfs/dbraw/zinc/91/42/05/1194914205.db2.gz UQMYZINQQCZRNG-CQSZACIVSA-N 0 3 388.472 0.186 20 0 GCADHN COc1cc(OC)cc(C(=O)NCC(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000514796112 1194914447 /nfs/dbraw/zinc/91/44/47/1194914447.db2.gz CSDPQOMICFMWAF-IBGZPJMESA-N 0 3 377.441 0.007 20 0 GCADHN CCn1nc(C)c(CC(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)c1C ZINC000425324486 1194914761 /nfs/dbraw/zinc/91/47/61/1194914761.db2.gz WEQUBTYRWFEYIL-MRXNPFEDSA-N 0 3 379.505 0.358 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccnn2-c2ccccc2)CC1=O ZINC000425327258 1194917304 /nfs/dbraw/zinc/91/73/04/1194917304.db2.gz ZNBFRNNWLVPDJI-INIZCTEOSA-N 0 3 385.468 0.781 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)C2CC2)C1 ZINC000505660871 1194918195 /nfs/dbraw/zinc/91/81/95/1194918195.db2.gz TUGFXDFSVDLPLD-OAHLLOKOSA-N 0 3 397.545 0.980 20 0 GCADHN Cc1ccc(Cn2cccc(NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2=O)cc1 ZINC000514873619 1194924005 /nfs/dbraw/zinc/92/40/05/1194924005.db2.gz POKSFXPEJWYORK-IAGOWNOFSA-N 0 3 395.463 0.981 20 0 GCADHN Cn1c(=O)[nH]cc(C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)c1=O ZINC000435364331 1194924732 /nfs/dbraw/zinc/92/47/32/1194924732.db2.gz PFUAVTQWLLDXIA-CYBMUJFWSA-N 0 3 385.424 0.436 20 0 GCADHN Cn1c(=O)[nH]cc(C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)c1=O ZINC000435364332 1194924837 /nfs/dbraw/zinc/92/48/37/1194924837.db2.gz PFUAVTQWLLDXIA-ZDUSSCGKSA-N 0 3 385.424 0.436 20 0 GCADHN COCC(C)(C)N1CCN(Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000425358177 1194925949 /nfs/dbraw/zinc/92/59/49/1194925949.db2.gz ZRASNXGDPBZEDB-GOSISDBHSA-N 0 3 384.546 0.959 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000514927759 1194930017 /nfs/dbraw/zinc/93/00/17/1194930017.db2.gz MTNCIAQEUAFKOW-CABCVRRESA-N 0 3 382.505 0.119 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000514927765 1194930051 /nfs/dbraw/zinc/93/00/51/1194930051.db2.gz MTNCIAQEUAFKOW-LSDHHAIUSA-N 0 3 382.505 0.119 20 0 GCADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425378694 1194930811 /nfs/dbraw/zinc/93/08/11/1194930811.db2.gz BZEVDGHYYZZVNE-YESZJQIVSA-N 0 3 378.517 0.550 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000425378760 1194931046 /nfs/dbraw/zinc/93/10/46/1194931046.db2.gz CIDGIJGQAXNZKQ-KRWDZBQOSA-N 0 3 380.533 0.642 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C(=O)c4ccsc4)CC3)[C@@H]2C1 ZINC000425386814 1194937125 /nfs/dbraw/zinc/93/71/25/1194937125.db2.gz MKXPWERXSQKJAM-GOEBONIOSA-N 0 3 390.509 0.585 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(CCc4cccs4)CC3)[C@@H]2C1 ZINC000425389453 1194938197 /nfs/dbraw/zinc/93/81/97/1194938197.db2.gz PSLHRJVMCNMXJO-FUHWJXTLSA-N 0 3 390.553 0.987 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(C)CC(N)=O)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435503320 1194939666 /nfs/dbraw/zinc/93/96/66/1194939666.db2.gz XHHJBMUXYPTTHF-MRXNPFEDSA-N 0 3 398.467 0.521 20 0 GCADHN CC(=O)NCCNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435534039 1194941161 /nfs/dbraw/zinc/94/11/61/1194941161.db2.gz YTBBYXDXQCVKRV-QGZVFWFLSA-N 0 3 398.467 0.521 20 0 GCADHN CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)[C@@H](C)C1 ZINC000425390536 1194941262 /nfs/dbraw/zinc/94/12/62/1194941262.db2.gz QWOCBGWYCDFHNE-FFZOFVMBSA-N 0 3 398.507 0.799 20 0 GCADHN NC(=O)C1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425394155 1194945243 /nfs/dbraw/zinc/94/52/43/1194945243.db2.gz FRJUKLKDEFTPPU-ZWKOTPCHSA-N 0 3 384.480 0.443 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)CC1 ZINC000435660127 1194951540 /nfs/dbraw/zinc/95/15/40/1194951540.db2.gz RSBZFOYWEWSQOD-UHFFFAOYSA-N 0 3 389.500 0.389 20 0 GCADHN C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425402401 1194956868 /nfs/dbraw/zinc/95/68/68/1194956868.db2.gz MZBGKKHVERALER-FVJLSDCUSA-N 0 3 384.480 0.443 20 0 GCADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCCCN2CCN(C)CC2)C1 ZINC000515208344 1194958629 /nfs/dbraw/zinc/95/86/29/1194958629.db2.gz NOEUGZOGQIBORV-INIZCTEOSA-N 0 3 390.550 0.124 20 0 GCADHN CCOc1cccc(CN(CCO)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425405983 1194961921 /nfs/dbraw/zinc/96/19/21/1194961921.db2.gz RZKYAZATTGVOBW-PKOBYXMFSA-N 0 3 389.496 0.959 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000515395871 1194971395 /nfs/dbraw/zinc/97/13/95/1194971395.db2.gz DUQAHDUFEYXPOR-OLZOCXBDSA-N 0 3 399.538 0.853 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)[C@H](O)c1ccc(Cl)cc1)C2 ZINC001270031894 1194973713 /nfs/dbraw/zinc/97/37/13/1194973713.db2.gz NTMIYDQAFXLGSH-MRXNPFEDSA-N 0 3 381.860 0.375 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000425446720 1194979530 /nfs/dbraw/zinc/97/95/30/1194979530.db2.gz QGBLWCNSBYPILE-CRAIPNDOSA-N 0 3 379.482 0.353 20 0 GCADHN CSCC[C@H](NC(C)=O)C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001270044739 1194982538 /nfs/dbraw/zinc/98/25/38/1194982538.db2.gz FSFBWTHYXKQGDO-ARFHVFGLSA-N 0 3 384.546 0.398 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000515576115 1194985530 /nfs/dbraw/zinc/98/55/30/1194985530.db2.gz CLSBQISOTJUPCJ-LJQANCHMSA-N 0 3 386.456 0.492 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)c3cccs3)CCN2C1=O ZINC000515673033 1194990230 /nfs/dbraw/zinc/99/02/30/1194990230.db2.gz NJYNIQIQLBVYOM-MCIONIFRSA-N 0 3 376.482 0.513 20 0 GCADHN COCC[C@@]1(NCC(=O)NCc2cccc(C(=O)NC3CC3)c2)CCOC1 ZINC000515765911 1194995731 /nfs/dbraw/zinc/99/57/31/1194995731.db2.gz RYBOYILSOQWJJP-HXUWFJFHSA-N 0 3 375.469 0.980 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)COc3ccc(Cl)cc3)C2)OCC1=O ZINC001270075389 1194996763 /nfs/dbraw/zinc/99/67/63/1194996763.db2.gz OCEKTIDDCZUEHR-UHFFFAOYSA-N 0 3 381.860 0.720 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000436353739 1194998863 /nfs/dbraw/zinc/99/88/63/1194998863.db2.gz NRPKBJXJWAWRLN-INIZCTEOSA-N 0 3 387.488 0.493 20 0 GCADHN COC[C@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1ccco1 ZINC000286324183 1194999929 /nfs/dbraw/zinc/99/99/29/1194999929.db2.gz HPERRBYPUBWDIB-LSDHHAIUSA-N 0 3 394.472 0.142 20 0 GCADHN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000515867869 1195003455 /nfs/dbraw/zinc/00/34/55/1195003455.db2.gz ZWUKSYKVXUUFPZ-FPOVZHCZSA-N 0 3 389.496 0.779 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H](c3nnc[nH]3)C2)c(OC)c1 ZINC000425546767 1195005415 /nfs/dbraw/zinc/00/54/15/1195005415.db2.gz LIHCENXXTPVMBQ-ZIAGYGMSSA-N 0 3 376.413 0.829 20 0 GCADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425551607 1195007565 /nfs/dbraw/zinc/00/75/65/1195007565.db2.gz QMRVOQYSVORILQ-VXGBXAGGSA-N 0 3 390.469 0.219 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000653362722 1195009033 /nfs/dbraw/zinc/00/90/33/1195009033.db2.gz WKTQXLNYFXPMGS-UHFFFAOYSA-N 0 3 390.484 0.945 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(Cc2cscn2)CC1 ZINC000546026560 1195017653 /nfs/dbraw/zinc/01/76/53/1195017653.db2.gz PZSIQQXMPKULEG-INIZCTEOSA-N 0 3 380.562 0.996 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N(C)[C@@H]2COC[C@H]2O)CC1 ZINC000287234406 1195022774 /nfs/dbraw/zinc/02/27/74/1195022774.db2.gz WFRBSVKTLNYNSI-RTBURBONSA-N 0 3 376.501 0.725 20 0 GCADHN CCNc1nc(N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)nc(NC(C)(C)C)n1 ZINC000436703187 1195027344 /nfs/dbraw/zinc/02/73/44/1195027344.db2.gz DCONFSWCDYWZHO-GFCCVEGCSA-N 0 3 397.549 0.726 20 0 GCADHN C[C@H](N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1)C(F)(F)F ZINC000516158765 1195027487 /nfs/dbraw/zinc/02/74/87/1195027487.db2.gz SOTSSPUNGXUFTO-UONOGXRCSA-N 0 3 376.423 0.778 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC1)N(C)C ZINC000516198041 1195031099 /nfs/dbraw/zinc/03/10/99/1195031099.db2.gz XBAQRWDMQBSTDN-KRWDZBQOSA-N 0 3 376.501 0.967 20 0 GCADHN Cc1cnccc1CCNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000516203947 1195031884 /nfs/dbraw/zinc/03/18/84/1195031884.db2.gz LCZROYHKMFGDCC-IBGZPJMESA-N 0 3 387.528 0.676 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)NCc3ccn(C)c3)CC2)C[C@H](C)O1 ZINC000287494479 1195032331 /nfs/dbraw/zinc/03/23/31/1195032331.db2.gz KWOZHYATPRTLFZ-HOTGVXAUSA-N 0 3 376.501 0.989 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000505875105 1195032796 /nfs/dbraw/zinc/03/27/96/1195032796.db2.gz RTIBEJOJJXFTFS-NWDGAFQWSA-N 0 3 384.502 0.901 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)N(C)Cc1ccccc1 ZINC000287553916 1195034723 /nfs/dbraw/zinc/03/47/23/1195034723.db2.gz YPMIGUSTONUVKV-KRWDZBQOSA-N 0 3 396.495 0.762 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@H](O)CNC[C@@H]1CCCCS1(=O)=O ZINC000516278533 1195039133 /nfs/dbraw/zinc/03/91/33/1195039133.db2.gz WRNLSTKLRKKVJX-CABCVRRESA-N 0 3 381.454 0.421 20 0 GCADHN CC(C)(C)NC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001270137352 1195044981 /nfs/dbraw/zinc/04/49/81/1195044981.db2.gz XHVOMOIOQWFXNF-YJNKXOJESA-N 0 3 380.489 0.759 20 0 GCADHN CCCn1ccnc1CCCN(C)C(=O)C(=O)NCCN(C)CCCOC ZINC000288285419 1195055700 /nfs/dbraw/zinc/05/57/00/1195055700.db2.gz VNIFAPWBPZYANB-UHFFFAOYSA-N 0 3 381.521 0.769 20 0 GCADHN CCOC(=O)Cn1cnc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)n1 ZINC000425700246 1195061488 /nfs/dbraw/zinc/06/14/88/1195061488.db2.gz JXCIYUWPYQJGQI-UHFFFAOYSA-N 0 3 378.477 1.569 20 0 GCADHN CCOC(=O)Cn1cnc(NC(=O)N(CCN(C)C)Cc2ccsc2)n1 ZINC000425713085 1195065986 /nfs/dbraw/zinc/06/59/86/1195065986.db2.gz PUKKBVGBOLXZFH-UHFFFAOYSA-N 0 3 380.474 1.498 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000288621767 1195066685 /nfs/dbraw/zinc/06/66/85/1195066685.db2.gz VTBNRDWWWRHOQM-ZWKOTPCHSA-N 0 3 390.463 0.867 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664607457 1195069059 /nfs/dbraw/zinc/06/90/59/1195069059.db2.gz MEWKUKZGCAOAJH-LLVKDONJSA-N 0 3 390.410 0.520 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCNC(=O)CCCc3ccccc3)CCN2C1=O ZINC000516584864 1195071162 /nfs/dbraw/zinc/07/11/62/1195071162.db2.gz FBXPCTIBSWTNPA-DLBZAZTESA-N 0 3 387.484 0.079 20 0 GCADHN CCOC(=O)Cn1cnc(NC(=O)N2CCN(CC3CCCCC3)CC2)n1 ZINC000425726761 1195074651 /nfs/dbraw/zinc/07/46/51/1195074651.db2.gz JSLGKDBSVVZHSS-UHFFFAOYSA-N 0 3 378.477 1.571 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccn(CCC(F)(F)F)n2)CCSC1 ZINC000425749225 1195085058 /nfs/dbraw/zinc/08/50/58/1195085058.db2.gz XKEWKOKPGODSGB-CQSZACIVSA-N 0 3 393.435 1.328 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)[C@@H](C)CO1 ZINC000437301724 1195092328 /nfs/dbraw/zinc/09/23/28/1195092328.db2.gz HFSZUBXWMMUOTB-STQMWFEESA-N 0 3 390.440 0.730 20 0 GCADHN CCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000425801484 1195106327 /nfs/dbraw/zinc/10/63/27/1195106327.db2.gz SMNWRHDSNUHMOD-UHFFFAOYSA-N 0 3 387.484 0.805 20 0 GCADHN CCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000425802115 1195107777 /nfs/dbraw/zinc/10/77/77/1195107777.db2.gz WCWBCFLDYISIDD-UHFFFAOYSA-N 0 3 389.456 0.531 20 0 GCADHN CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)N2C(=O)CCCS(N)(=O)=O ZINC001270210785 1195108170 /nfs/dbraw/zinc/10/81/70/1195108170.db2.gz ZNHXRVKGENRAQX-GOOCMWNKSA-N 0 3 383.518 0.583 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[C@@H]2CCCCO2)CC1 ZINC000516887779 1195109346 /nfs/dbraw/zinc/10/93/46/1195109346.db2.gz ICQZFWPTIRAWOP-DLBZAZTESA-N 0 3 394.516 0.217 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000516888508 1195109421 /nfs/dbraw/zinc/10/94/21/1195109421.db2.gz YZOZTDQEBVBOPT-INIZCTEOSA-N 0 3 394.491 0.947 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000516895754 1195110579 /nfs/dbraw/zinc/11/05/79/1195110579.db2.gz MRPXIMCYRBDGDS-CYBMUJFWSA-N 0 3 378.439 0.930 20 0 GCADHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[C@H]1O ZINC000425807026 1195110731 /nfs/dbraw/zinc/11/07/31/1195110731.db2.gz PDQZZWHGVNOAOK-GVDBMIGSSA-N 0 3 383.452 0.908 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)ccc1C ZINC000425805230 1195111312 /nfs/dbraw/zinc/11/13/12/1195111312.db2.gz BUUBNTMENXJJQS-DZGCQCFKSA-N 0 3 394.497 0.394 20 0 GCADHN CN1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H](c4nnc[nH]4)C3)c2)CC1 ZINC000425814423 1195116657 /nfs/dbraw/zinc/11/66/57/1195116657.db2.gz BNYDKXNGXFQWOG-INIZCTEOSA-N 0 3 397.483 0.507 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000516968439 1195118152 /nfs/dbraw/zinc/11/81/52/1195118152.db2.gz QWFHRAUZOPSYGD-MRXNPFEDSA-N 0 3 377.452 0.899 20 0 GCADHN CCOC(=O)c1sc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1C ZINC000516980896 1195119428 /nfs/dbraw/zinc/11/94/28/1195119428.db2.gz DGJNQKWTINIHDA-VXGBXAGGSA-N 0 3 380.470 0.416 20 0 GCADHN Cc1ccc(OC[C@H](O)CNCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 ZINC000516965648 1195120469 /nfs/dbraw/zinc/12/04/69/1195120469.db2.gz FYNBXINMOLOXCJ-SJLPKXTDSA-N 0 3 386.514 0.813 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc([C@@H]4CCCOC4)nn3C)[C@@H]2C1 ZINC000425822753 1195121637 /nfs/dbraw/zinc/12/16/37/1195121637.db2.gz UTNCKIDTPCFHPF-SQWLQELKSA-N 0 3 375.473 0.805 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(CS(C)(=O)=O)cc3)[C@@H]2C1 ZINC000425824323 1195126696 /nfs/dbraw/zinc/12/66/96/1195126696.db2.gz YMGVTMVIPDVWLR-GOEBONIOSA-N 0 3 379.482 0.722 20 0 GCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425824572 1195126812 /nfs/dbraw/zinc/12/68/12/1195126812.db2.gz YVPMBUOGAAEQEA-GOEBONIOSA-N 0 3 388.468 0.888 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(CCS(C)(=O)=O)cc3)[C@@H]2C1 ZINC000425824595 1195126882 /nfs/dbraw/zinc/12/68/82/1195126882.db2.gz ZCFCMPNSHDJEDQ-DOTOQJQBSA-N 0 3 393.509 0.765 20 0 GCADHN CC1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c2)CC1 ZINC000517041527 1195128563 /nfs/dbraw/zinc/12/85/63/1195128563.db2.gz BDNIEUQTXXMDKN-ROUUACIJSA-N 0 3 399.495 0.632 20 0 GCADHN CCCCN1CCc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc21 ZINC000517042564 1195128795 /nfs/dbraw/zinc/12/87/95/1195128795.db2.gz YLOOTYDVRMANEM-IRXDYDNUSA-N 0 3 399.495 0.558 20 0 GCADHN CCN(CCO)CCNC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C ZINC000425843233 1195135026 /nfs/dbraw/zinc/13/50/26/1195135026.db2.gz NRONSYCDLALZLW-MAUKXSAKSA-N 0 3 394.520 0.170 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1)Cc1ccccc1 ZINC000425857606 1195138906 /nfs/dbraw/zinc/13/89/06/1195138906.db2.gz BAOPOLJYIZRQIN-ZWKOTPCHSA-N 0 3 384.484 0.731 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000517136658 1195140751 /nfs/dbraw/zinc/14/07/51/1195140751.db2.gz PSPHYECHCFMICX-SJORKVTESA-N 0 3 383.537 0.291 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425879870 1195145709 /nfs/dbraw/zinc/14/57/09/1195145709.db2.gz BIKRXLQNQVVJGF-ZSYWTGECSA-N 0 3 398.507 0.750 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCC(=O)NCCc2ccccc2OC)C1 ZINC000437717426 1195146649 /nfs/dbraw/zinc/14/66/49/1195146649.db2.gz AUYSBUYRSNLSDM-INIZCTEOSA-N 0 3 378.473 0.374 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCC(=O)NCCc2ccccc2OC)C1 ZINC000437717427 1195146773 /nfs/dbraw/zinc/14/67/73/1195146773.db2.gz AUYSBUYRSNLSDM-MRXNPFEDSA-N 0 3 378.473 0.374 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000517196260 1195149929 /nfs/dbraw/zinc/14/99/29/1195149929.db2.gz NOVLQODJSXSNFX-RDJZCZTQSA-N 0 3 390.484 0.333 20 0 GCADHN COc1ccnc(CNC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)n1 ZINC000425890565 1195151123 /nfs/dbraw/zinc/15/11/23/1195151123.db2.gz HSLKRXJLBPKLQE-UHFFFAOYSA-N 0 3 389.431 0.831 20 0 GCADHN COc1ccnc(CNC(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)n1 ZINC000425899292 1195156842 /nfs/dbraw/zinc/15/68/42/1195156842.db2.gz NVBOLTUWOMOTFK-UHFFFAOYSA-N 0 3 389.431 0.831 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000517224961 1195158146 /nfs/dbraw/zinc/15/81/46/1195158146.db2.gz LTSILKBUAGJLIX-HNNXBMFYSA-N 0 3 377.441 0.751 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000425906156 1195162379 /nfs/dbraw/zinc/16/23/79/1195162379.db2.gz TXJKQXAHOZFDGW-MRXNPFEDSA-N 0 3 392.475 0.701 20 0 GCADHN Cc1csc(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2)n1 ZINC000517247184 1195162939 /nfs/dbraw/zinc/16/29/39/1195162939.db2.gz OHYXXAFFYJNDMG-GJZGRUSLSA-N 0 3 399.476 0.827 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000425909455 1195164943 /nfs/dbraw/zinc/16/49/43/1195164943.db2.gz OXJOSHBGCYTJAE-MRXNPFEDSA-N 0 3 382.549 0.792 20 0 GCADHN COCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000517257129 1195165415 /nfs/dbraw/zinc/16/54/15/1195165415.db2.gz ZUJSSGBAEOJROZ-QGZVFWFLSA-N 0 3 382.549 0.792 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1ccccc1OCCO ZINC000506148536 1195169316 /nfs/dbraw/zinc/16/93/16/1195169316.db2.gz MITOYTRJEUGHCS-KRWDZBQOSA-N 0 3 377.485 0.911 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCCN1CCCCC1=O ZINC000517341415 1195172399 /nfs/dbraw/zinc/17/23/99/1195172399.db2.gz MHELEVKMPBAXOW-MRXNPFEDSA-N 0 3 381.521 0.631 20 0 GCADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000517371596 1195176162 /nfs/dbraw/zinc/17/61/62/1195176162.db2.gz BSBWIQRCAUEYPV-GOSISDBHSA-N 0 3 393.447 0.943 20 0 GCADHN CC(C)Oc1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1C(N)=O ZINC000517395657 1195178518 /nfs/dbraw/zinc/17/85/18/1195178518.db2.gz MABKIRKIOIVECO-GXTWGEPZSA-N 0 3 375.429 0.348 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3nn(-c4ccccc4F)c4c3CCC4)CCN2C1=O ZINC000517395946 1195178531 /nfs/dbraw/zinc/17/85/31/1195178531.db2.gz WGENMIGAKKAYKA-IUODEOHRSA-N 0 3 383.427 0.884 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000517451963 1195183839 /nfs/dbraw/zinc/18/38/39/1195183839.db2.gz ZZKARHJRCRSZHO-HZPDHXFCSA-N 0 3 385.534 0.303 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC000517564576 1195194188 /nfs/dbraw/zinc/19/41/88/1195194188.db2.gz GZJCFZXGUOHFLJ-ZBCRRDGASA-N 0 3 398.533 0.398 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)o1 ZINC000517651140 1195202749 /nfs/dbraw/zinc/20/27/49/1195202749.db2.gz ZLQLQFNRCRHEQJ-UHFFFAOYSA-N 0 3 379.442 0.587 20 0 GCADHN COC(=O)CCCc1nnc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)s1 ZINC000438306350 1195205190 /nfs/dbraw/zinc/20/51/90/1195205190.db2.gz RNIFQHIMCUWBHS-CYBMUJFWSA-N 0 3 398.533 1.039 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C[C@H](C)S1(=O)=O ZINC000517741884 1195212160 /nfs/dbraw/zinc/21/21/60/1195212160.db2.gz HVTAHSCVTSKGNO-DVOMOZLQSA-N 0 3 379.482 0.105 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cccc4ccccc43)CCN2C1=O ZINC000517759252 1195214531 /nfs/dbraw/zinc/21/45/31/1195214531.db2.gz RXRRNFGFDXQUQW-GRGSLBFTSA-N 0 3 392.459 0.582 20 0 GCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000517819243 1195220639 /nfs/dbraw/zinc/22/06/39/1195220639.db2.gz RDXIRMYVRSYUMU-UONOGXRCSA-N 0 3 376.457 0.726 20 0 GCADHN CCCN(CCN(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O ZINC000729430996 1195222200 /nfs/dbraw/zinc/22/22/00/1195222200.db2.gz DJFJRCPNRUSWLS-UHFFFAOYSA-N 0 3 397.497 0.891 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC1([NH+](C)C)CCC1 ZINC000438536134 1195225475 /nfs/dbraw/zinc/22/54/75/1195225475.db2.gz NUOVRIZZEUJTIS-UHFFFAOYSA-N 0 3 377.489 0.860 20 0 GCADHN CCN(CC)CC(=O)N1CCC2(C[C@H]2C(=O)NCCS(=O)(=O)CC)CC1 ZINC001270359156 1195226073 /nfs/dbraw/zinc/22/60/73/1195226073.db2.gz VAVRNHDYBSIJJJ-HNNXBMFYSA-N 0 3 387.546 0.508 20 0 GCADHN CN1CCN(CCCNC(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000518001821 1195237665 /nfs/dbraw/zinc/23/76/65/1195237665.db2.gz DVEWIVOUEOBTHL-UHFFFAOYSA-N 0 3 395.554 0.743 20 0 GCADHN CC(C)C[C@H](CNC(=O)NCCCN1CCC[C@H]1C(N)=O)N1CCOCC1 ZINC000518081826 1195246495 /nfs/dbraw/zinc/24/64/95/1195246495.db2.gz YRVRULBXUIOYJN-SJORKVTESA-N 0 3 383.537 0.372 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)Cc2ccccc2C1 ZINC000506408230 1195259976 /nfs/dbraw/zinc/25/99/76/1195259976.db2.gz VTWCKUGFGBAVBT-QGZVFWFLSA-N 0 3 398.507 0.519 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)[C@@H]1CCCC[C@H]1O ZINC000426210878 1195264779 /nfs/dbraw/zinc/26/47/79/1195264779.db2.gz PABXVPVXENAMRD-KBRIMQKVSA-N 0 3 383.514 0.617 20 0 GCADHN O=C(CN1CCC[C@@H]1CCO)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000426220403 1195265423 /nfs/dbraw/zinc/26/54/23/1195265423.db2.gz PGWYBWWVYZWJTG-OAHLLOKOSA-N 0 3 399.488 0.505 20 0 GCADHN COC(=O)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OC)c(OC)c1 ZINC000518218527 1195267102 /nfs/dbraw/zinc/26/71/02/1195267102.db2.gz NEXXXABFFAFOTM-NEPJUHHUSA-N 0 3 392.412 0.266 20 0 GCADHN O=C(Nc1ccc2c(c1)CNC2)C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000414971050 1195272764 /nfs/dbraw/zinc/27/27/64/1195272764.db2.gz VSUOJZHWIUCTBK-MRXNPFEDSA-N 0 3 388.493 0.795 20 0 GCADHN CSCC(=O)N1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001270422500 1195275334 /nfs/dbraw/zinc/27/53/34/1195275334.db2.gz DHBOGSNTTDOINS-UHFFFAOYSA-N 0 3 382.574 0.828 20 0 GCADHN CCOC(=O)[C@H]1CN(CCN(C)C)C(=O)C12CCN(C(=O)CSC)CC2 ZINC001270425108 1195276671 /nfs/dbraw/zinc/27/66/71/1195276671.db2.gz UBFXRZSFTBVOQR-CQSZACIVSA-N 0 3 385.530 0.541 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000506469823 1195280400 /nfs/dbraw/zinc/28/04/00/1195280400.db2.gz LOKQBFVXEWFGHO-SJORKVTESA-N 0 3 391.520 0.642 20 0 GCADHN O=C(CN1CCC[C@H]1CCO)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000426265348 1195280981 /nfs/dbraw/zinc/28/09/81/1195280981.db2.gz UOWLOBLBFIFRHR-INIZCTEOSA-N 0 3 381.498 0.366 20 0 GCADHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000518398123 1195286780 /nfs/dbraw/zinc/28/67/80/1195286780.db2.gz NQXVLGOBNQWEAX-UMVBOHGHSA-N 0 3 384.436 0.689 20 0 GCADHN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000439204250 1195296421 /nfs/dbraw/zinc/29/64/21/1195296421.db2.gz ZRMARMBFLPQXKP-UHFFFAOYSA-N 0 3 397.497 0.599 20 0 GCADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000439218492 1195296473 /nfs/dbraw/zinc/29/64/73/1195296473.db2.gz VFGCEOSQRMSNPU-UHFFFAOYSA-N 0 3 376.457 0.694 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1-n1nnnc1C ZINC000439210495 1195297391 /nfs/dbraw/zinc/29/73/91/1195297391.db2.gz BHWMEIAGABVOPU-UHFFFAOYSA-N 0 3 387.444 0.472 20 0 GCADHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000439214274 1195298074 /nfs/dbraw/zinc/29/80/74/1195298074.db2.gz XERWYJUJSJVDSM-UHFFFAOYSA-N 0 3 393.440 0.983 20 0 GCADHN N[C@H]1C[C@H]2CN(CC(=O)N3c4ccccc4NC(=O)C34CCCC4)CCN2C1=O ZINC000518563984 1195304357 /nfs/dbraw/zinc/30/43/57/1195304357.db2.gz CBVCJCZXZAIJIX-GJZGRUSLSA-N 0 3 397.479 0.528 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)n1nnc(-c2ccccc2)n1 ZINC000518564048 1195304437 /nfs/dbraw/zinc/30/44/37/1195304437.db2.gz FEEIXNBVSVIFQI-HRCADAONSA-N 0 3 383.456 0.308 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)C[C@@H]1O ZINC000664749269 1195311500 /nfs/dbraw/zinc/31/15/00/1195311500.db2.gz FMLZMKOYBVLQBA-BZSNNMDCSA-N 0 3 378.542 0.920 20 0 GCADHN CN(C)CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CSCC(=O)N1)CC2 ZINC001270475659 1195312276 /nfs/dbraw/zinc/31/22/76/1195312276.db2.gz PYQCXPBAEVKUAM-AWEZNQCLSA-N 0 3 382.530 0.011 20 0 GCADHN CC(C)Cn1c(N)c(C(=O)CN2CCN(C3CC3)C[C@@H](C)C2)c(=O)n(C)c1=O ZINC000296680241 1195317095 /nfs/dbraw/zinc/31/70/95/1195317095.db2.gz IEJVOIOWHSDKMT-AWEZNQCLSA-N 0 3 391.516 0.384 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](OC(C)C)C2)CC1 ZINC000653377301 1195320452 /nfs/dbraw/zinc/32/04/52/1195320452.db2.gz VSORXKDYMGCFSB-ZWKOTPCHSA-N 0 3 382.549 0.792 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)N[C@H]2CCCN(CCCO)C2)ccc1F ZINC000296838063 1195322077 /nfs/dbraw/zinc/32/20/77/1195322077.db2.gz ADBXTDIXZKDZTP-ZDUSSCGKSA-N 0 3 388.465 0.702 20 0 GCADHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664758797 1195332731 /nfs/dbraw/zinc/33/27/31/1195332731.db2.gz LFZUETJCJYDEEH-HNNXBMFYSA-N 0 3 396.517 0.443 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1Cl ZINC000518797842 1195335349 /nfs/dbraw/zinc/33/53/49/1195335349.db2.gz SOSDTFNDGXFWEF-WQVCFCJDSA-N 0 3 392.887 0.924 20 0 GCADHN Cc1nc2ccc(NC(=O)C(=O)N(CCOCCO)CCN(C)C)cc2o1 ZINC000439619279 1195335638 /nfs/dbraw/zinc/33/56/38/1195335638.db2.gz QSLHTNNOBTYOCE-UHFFFAOYSA-N 0 3 378.429 0.474 20 0 GCADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CN1C1CC1 ZINC000518832850 1195338110 /nfs/dbraw/zinc/33/81/10/1195338110.db2.gz WYAKOSHTSBBYJR-ULQDDVLXSA-N 0 3 378.517 0.299 20 0 GCADHN COC(=O)[C@@H]1CC12CCN(C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000506643088 1195339881 /nfs/dbraw/zinc/33/98/81/1195339881.db2.gz NYOCSFCGPJJOAW-HOTGVXAUSA-N 0 3 394.516 0.914 20 0 GCADHN COCC1(O)CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(C)c2)CC1 ZINC000297508766 1195340055 /nfs/dbraw/zinc/34/00/55/1195340055.db2.gz ANNWEAQMCSAWDM-UHFFFAOYSA-N 0 3 391.512 0.885 20 0 GCADHN Cc1ccoc1CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000297614376 1195342373 /nfs/dbraw/zinc/34/23/73/1195342373.db2.gz BLVZKUAAKSMDMA-HNNXBMFYSA-N 0 3 376.457 0.311 20 0 GCADHN C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000297888076 1195349821 /nfs/dbraw/zinc/34/98/21/1195349821.db2.gz VGWMKAYKTLBPBO-KRWDZBQOSA-N 0 3 394.516 0.739 20 0 GCADHN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000519024641 1195361366 /nfs/dbraw/zinc/36/13/66/1195361366.db2.gz YOURFCYVJWGUNR-OLZOCXBDSA-N 0 3 390.406 0.353 20 0 GCADHN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)N(C)CCN(C)C)C2)nc1 ZINC000298160099 1195361813 /nfs/dbraw/zinc/36/18/13/1195361813.db2.gz SFFUDMDSSFHKMJ-OAHLLOKOSA-N 0 3 375.473 0.587 20 0 GCADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C3CC3)C[C@H](C)C2)cn1C ZINC000519082349 1195368121 /nfs/dbraw/zinc/36/81/21/1195368121.db2.gz JWKQVENWEGLBGF-ZDUSSCGKSA-N 0 3 383.518 0.340 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)N1CCC[C@@H](C)C1 ZINC000298583575 1195373377 /nfs/dbraw/zinc/37/33/77/1195373377.db2.gz NZDPIUSJNSHPLO-KGLIPLIRSA-N 0 3 376.457 0.726 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)c(OC)c1 ZINC000519192648 1195379031 /nfs/dbraw/zinc/37/90/31/1195379031.db2.gz NUEGSQMXPOWRNH-LJQANCHMSA-N 0 3 395.525 0.916 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)Cc2ccccc2C(=O)OC)CC1 ZINC000440080627 1195383101 /nfs/dbraw/zinc/38/31/01/1195383101.db2.gz OWPQQEKHVFPWGA-HNNXBMFYSA-N 0 3 383.514 0.919 20 0 GCADHN CN1CC[C@H]([NH+]2CCC(NC(=O)c3[n-]nc4ccc([N+](=O)[O-])cc43)CC2)C1=O ZINC000519219168 1195383234 /nfs/dbraw/zinc/38/32/34/1195383234.db2.gz KDBYGTUHDDBBOQ-HNNXBMFYSA-N 0 3 386.412 0.896 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCCN2CCCCC2=O)CC1 ZINC000519310101 1195391813 /nfs/dbraw/zinc/39/18/13/1195391813.db2.gz KJBRGZHXJDNNIR-UHFFFAOYSA-N 0 3 379.505 0.339 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cccnc1-n1cccn1 ZINC000440280248 1195401134 /nfs/dbraw/zinc/40/11/34/1195401134.db2.gz DUXJGWBYOQGERX-UHFFFAOYSA-N 0 3 385.472 0.302 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000440286483 1195401917 /nfs/dbraw/zinc/40/19/17/1195401917.db2.gz RKZVDDSQIMYYAT-UHFFFAOYSA-N 0 3 399.499 0.361 20 0 GCADHN CCN1CCN(CCCNC(=O)c2ccc(S(=O)(=O)CCOC)cc2)CC1 ZINC000299501043 1195402641 /nfs/dbraw/zinc/40/26/41/1195402641.db2.gz CTHBYVMRJLZTJT-UHFFFAOYSA-N 0 3 397.541 0.864 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000519419184 1195404898 /nfs/dbraw/zinc/40/48/98/1195404898.db2.gz GQFGDAUJENJYPU-HUUCEWRRSA-N 0 3 385.468 0.547 20 0 GCADHN COc1cc(OC)c(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Cl ZINC000519426137 1195405530 /nfs/dbraw/zinc/40/55/30/1195405530.db2.gz FTZRIERMKJCHOG-JQWIXIFHSA-N 0 3 382.848 0.540 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@@H](C)O1 ZINC000550034927 1195416670 /nfs/dbraw/zinc/41/66/70/1195416670.db2.gz OHJHJQIQMBLEHC-NXHRZFHOSA-N 0 3 377.485 0.538 20 0 GCADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000550034162 1195418592 /nfs/dbraw/zinc/41/85/92/1195418592.db2.gz AGAWQPOWRVLVIX-INIZCTEOSA-N 0 3 377.489 0.005 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1nnc2n1CCCCC2)N1CCC[C@H](C)C1 ZINC000550068230 1195426956 /nfs/dbraw/zinc/42/69/56/1195426956.db2.gz HIHDHWOYLDSASZ-GJZGRUSLSA-N 0 3 376.505 0.857 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1nnc2n1CCCCC2)N1CCC[C@H](C)C1 ZINC000550068232 1195426975 /nfs/dbraw/zinc/42/69/75/1195426975.db2.gz HIHDHWOYLDSASZ-LSDHHAIUSA-N 0 3 376.505 0.857 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1nnc2n1CCCCC2)N1CCC[C@@H](C)C1 ZINC000550068231 1195427071 /nfs/dbraw/zinc/42/70/71/1195427071.db2.gz HIHDHWOYLDSASZ-HUUCEWRRSA-N 0 3 376.505 0.857 20 0 GCADHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H](n3cc(CN)nn3)C1)C2=O ZINC000519547027 1195428684 /nfs/dbraw/zinc/42/86/84/1195428684.db2.gz XLCNLQJBWOMOTO-AWEZNQCLSA-N 0 3 382.424 0.505 20 0 GCADHN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000469492798 1195429001 /nfs/dbraw/zinc/42/90/01/1195429001.db2.gz XSDWSSZKEAUUME-RRFJBIMHSA-N 0 3 384.546 0.459 20 0 GCADHN CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000469492800 1195429043 /nfs/dbraw/zinc/42/90/43/1195429043.db2.gz XSDWSSZKEAUUME-ZNMIVQPWSA-N 0 3 384.546 0.459 20 0 GCADHN CCC(CO)(CO)Nc1nccc(CN2CC[C@@H](CO)C2)c1C(OC)OC ZINC001167969609 1195430883 /nfs/dbraw/zinc/43/08/83/1195430883.db2.gz HMOOHIQVDDZTNN-CQSZACIVSA-N 0 3 383.489 0.733 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)CNC(=O)NCc1ccc(F)cc1 ZINC000110866559 1195431978 /nfs/dbraw/zinc/43/19/78/1195431978.db2.gz UUNYVVSOTLBSLT-UHFFFAOYSA-N 0 3 379.480 0.721 20 0 GCADHN CC(C)C(=O)N1CCC(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)CC1 ZINC000550114887 1195440536 /nfs/dbraw/zinc/44/05/36/1195440536.db2.gz HPBXPTIFCQSEKO-MRXNPFEDSA-N 0 3 380.533 0.988 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000550115547 1195440948 /nfs/dbraw/zinc/44/09/48/1195440948.db2.gz ZQSLUZGJTQZUJQ-MRXNPFEDSA-N 0 3 391.468 0.643 20 0 GCADHN C[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C(=O)NCCN1CCCCC1 ZINC000550132758 1195443935 /nfs/dbraw/zinc/44/39/35/1195443935.db2.gz IFZNPYQOBDSQNI-ZIAGYGMSSA-N 0 3 390.550 0.057 20 0 GCADHN Cc1ccc(NC(=O)CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1S(N)(=O)=O ZINC000550140584 1195447329 /nfs/dbraw/zinc/44/73/29/1195447329.db2.gz HWHUJQKZVBYZGQ-ROUUACIJSA-N 0 3 397.497 0.491 20 0 GCADHN O=C(CN[C@H](C1CC1)[C@@]1(CO)CCCO1)Nc1cc(-n2cnnn2)ccc1F ZINC000550141143 1195447718 /nfs/dbraw/zinc/44/77/18/1195447718.db2.gz PVKCSYTWWUVELB-MSOLQXFVSA-N 0 3 390.419 0.650 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)cn1 ZINC000473720905 1195448267 /nfs/dbraw/zinc/44/82/67/1195448267.db2.gz JENIOQRCZFPOGM-UHFFFAOYSA-N 0 3 379.509 0.509 20 0 GCADHN Cn1cc([C@]2(CNC(=O)NCCN3CCN(C)C(C)(C)C3)CCCO2)cn1 ZINC000894601891 1195449739 /nfs/dbraw/zinc/44/97/39/1195449739.db2.gz NKHOWPUJNANYCM-LJQANCHMSA-N 0 3 378.521 0.751 20 0 GCADHN COC(=O)[C@@H]1[C@@H](CN[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1(F)F ZINC000894603653 1195450076 /nfs/dbraw/zinc/45/00/76/1195450076.db2.gz WRRKWBLYOPZPMF-UGFHNGPFSA-N 0 3 399.442 0.851 20 0 GCADHN CCOC(=O)Cn1cc(CN2CC[C@@]3(CNC(=O)C3)C2)c(-c2cnn(C)c2)n1 ZINC000894592943 1195450577 /nfs/dbraw/zinc/45/05/77/1195450577.db2.gz MJBKCDIGFYZACA-LJQANCHMSA-N 0 3 386.456 0.559 20 0 GCADHN C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1nnc2n1CCCC2 ZINC000121306932 1195452516 /nfs/dbraw/zinc/45/25/16/1195452516.db2.gz VKJRTIQOSCVGMI-LSDHHAIUSA-N 0 3 389.504 0.623 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@@H](C)O1 ZINC000550208561 1195461000 /nfs/dbraw/zinc/46/10/00/1195461000.db2.gz FNHHTCOIUXDUQK-ZACQAIPSSA-N 0 3 380.533 0.687 20 0 GCADHN COc1ccc([C@@H]2CCN(CCCO)C[C@@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)cc1 ZINC001087475984 1195463522 /nfs/dbraw/zinc/46/35/22/1195463522.db2.gz MRVILOKZSQMOPM-MHORFTMASA-N 0 3 375.469 0.473 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)C(=O)N1CCNC(=O)[C@@H]1C)c1cccc(OC)c1 ZINC000550237759 1195466497 /nfs/dbraw/zinc/46/64/97/1195466497.db2.gz XVIHSRAFJYEMEF-YOEHRIQHSA-N 0 3 390.484 0.541 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCNC(=O)[C@H]1C)c1cccc(OC)c1 ZINC000550237757 1195466539 /nfs/dbraw/zinc/46/65/39/1195466539.db2.gz XVIHSRAFJYEMEF-RHSMWYFYSA-N 0 3 390.484 0.541 20 0 GCADHN CCO[C@@H]1C[C@](O)(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC000473810781 1195468160 /nfs/dbraw/zinc/46/81/60/1195468160.db2.gz OOUIEFITKSCTKX-YRNRMSPPSA-N 0 3 398.548 0.794 20 0 GCADHN COC(=O)[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC000473828951 1195471780 /nfs/dbraw/zinc/47/17/80/1195471780.db2.gz KRNVEYFLTYMWME-BZUAXINKSA-N 0 3 382.505 0.770 20 0 GCADHN CCCC[N@H+](C)CCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000112309171 1195474020 /nfs/dbraw/zinc/47/40/20/1195474020.db2.gz QVWRAXJNNBSTQE-UHFFFAOYSA-N 0 3 379.505 0.696 20 0 GCADHN CCCC[N@@H+](C)CCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000112309171 1195474024 /nfs/dbraw/zinc/47/40/24/1195474024.db2.gz QVWRAXJNNBSTQE-UHFFFAOYSA-N 0 3 379.505 0.696 20 0 GCADHN Cc1nc(Cn2cc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)nn2)no1 ZINC000426699993 1195476965 /nfs/dbraw/zinc/47/69/65/1195476965.db2.gz NQDDWDKPHCMMTH-LJQANCHMSA-N 0 3 397.439 0.385 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)N(C)[C@H]3CCCOC3)ccc2oc1=O ZINC000507075249 1195490292 /nfs/dbraw/zinc/49/02/92/1195490292.db2.gz CXNOXWVUDOSZBM-AWEZNQCLSA-N 0 3 390.440 0.732 20 0 GCADHN CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@@H](C)S1(=O)=O ZINC000415219950 1195493720 /nfs/dbraw/zinc/49/37/20/1195493720.db2.gz NJERDNGWNYVCPP-DOMZBBRYSA-N 0 3 395.481 0.531 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccncc2)CC1 ZINC000507140995 1195496993 /nfs/dbraw/zinc/49/69/93/1195496993.db2.gz MBGIJLJDXKRPJM-INIZCTEOSA-N 0 3 389.500 0.141 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)c2cccc(O)c2)CC1 ZINC000427072550 1195504175 /nfs/dbraw/zinc/50/41/75/1195504175.db2.gz MWJOKLHHDPWZLZ-UHFFFAOYSA-N 0 3 376.457 0.135 20 0 GCADHN CCn1cc(-c2n[nH]cc2C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000427110077 1195507845 /nfs/dbraw/zinc/50/78/45/1195507845.db2.gz XUAIVXOPYCJXSW-MRXNPFEDSA-N 0 3 387.488 0.966 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)CC1 ZINC000427144872 1195510066 /nfs/dbraw/zinc/51/00/66/1195510066.db2.gz PPXJRGPZMHHSQX-HNNXBMFYSA-N 0 3 399.495 0.619 20 0 GCADHN NC(=O)COc1ccccc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000440499885 1195517672 /nfs/dbraw/zinc/51/76/72/1195517672.db2.gz AULQPHXATKHTOH-NRFANRHFSA-N 0 3 383.448 0.918 20 0 GCADHN CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000507441128 1195519927 /nfs/dbraw/zinc/51/99/27/1195519927.db2.gz KGGSCWQFSFXYNR-KRWDZBQOSA-N 0 3 390.484 0.783 20 0 GCADHN Cc1nc(CCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)sc1C ZINC000507503561 1195527609 /nfs/dbraw/zinc/52/76/09/1195527609.db2.gz AJJKLQLTVUTKIU-UHFFFAOYSA-N 0 3 381.546 0.515 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NCC2(OCCO)CCOCC2)CC1 ZINC000507605454 1195537650 /nfs/dbraw/zinc/53/76/50/1195537650.db2.gz ARTBLUIZXRBGII-UHFFFAOYSA-N 0 3 387.521 0.733 20 0 GCADHN COC(CNC(=O)[C@H]1CCCN1C1CC1)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000427467850 1195543206 /nfs/dbraw/zinc/54/32/06/1195543206.db2.gz XAZIKTWYMNDFBS-QZTJIDSGSA-N 0 3 378.517 0.487 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000507675600 1195545812 /nfs/dbraw/zinc/54/58/12/1195545812.db2.gz YQIPICBPVNLEFN-IRXDYDNUSA-N 0 3 395.548 0.877 20 0 GCADHN CCN1CCN(CCNC(=O)C2CCN(C(=O)[C@@H](C)CSC)CC2)CC1 ZINC000507663696 1195546028 /nfs/dbraw/zinc/54/60/28/1195546028.db2.gz OJLHHIJGHVQSPC-INIZCTEOSA-N 0 3 384.590 0.978 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[C@H]1O ZINC000427507302 1195547370 /nfs/dbraw/zinc/54/73/70/1195547370.db2.gz SKPUNBWVHTYILL-SWLSCSKDSA-N 0 3 390.440 0.324 20 0 GCADHN O=S1(=O)C[C@H](NCCCc2ccc3c(c2)CCO3)[C@H](N2CCOCC2)C1 ZINC000280785917 1195551000 /nfs/dbraw/zinc/55/10/00/1195551000.db2.gz HDFQSPCGRDAHRJ-ZWKOTPCHSA-N 0 3 380.510 0.642 20 0 GCADHN Cc1nnc(CN[C@@H](C)C2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)[nH]1 ZINC001029122840 1195551212 /nfs/dbraw/zinc/55/12/12/1195551212.db2.gz KEOLPAFPWGHHKH-VYSRMENRSA-N 0 3 377.489 0.881 20 0 GCADHN C[C@@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@H](C)CO1 ZINC000664883777 1195551376 /nfs/dbraw/zinc/55/13/76/1195551376.db2.gz MUPDWNFYGLLBMW-VUCRHFMTSA-N 0 3 395.548 0.478 20 0 GCADHN CC(C)OCc1nc([C@@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C)no1 ZINC000664933443 1195556886 /nfs/dbraw/zinc/55/68/86/1195556886.db2.gz IZGQGWPIAVNDKU-CYBMUJFWSA-N 0 3 384.481 0.717 20 0 GCADHN NC(=O)COc1ccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000440514587 1195558187 /nfs/dbraw/zinc/55/81/87/1195558187.db2.gz XLAJRNNAGJOIGF-OAQYLSRUSA-N 0 3 383.448 0.918 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1c(F)cccc1F ZINC000519770944 1195569048 /nfs/dbraw/zinc/56/90/48/1195569048.db2.gz OOEWTIAJNRSZHP-KCPJHIHWSA-N 0 3 381.427 0.521 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1Cl ZINC000519785543 1195571382 /nfs/dbraw/zinc/57/13/82/1195571382.db2.gz VCGPDXLWGAIPOD-UHFFFAOYSA-N 0 3 396.875 0.819 20 0 GCADHN O=C(C(=O)N1CCCN(C(=O)C2CC2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000519809138 1195572318 /nfs/dbraw/zinc/57/23/18/1195572318.db2.gz CABIPRSCBLXQGS-QGZVFWFLSA-N 0 3 376.501 0.544 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(C)o1 ZINC000519826180 1195573640 /nfs/dbraw/zinc/57/36/40/1195573640.db2.gz PAQXVPSDBRITFR-UKRRQHHQSA-N 0 3 385.486 0.855 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(C)o1 ZINC000519826185 1195573733 /nfs/dbraw/zinc/57/37/33/1195573733.db2.gz PAQXVPSDBRITFR-ZFWWWQNUSA-N 0 3 385.486 0.855 20 0 GCADHN CC(C)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n(-c2ncccn2)n1 ZINC000519832943 1195574710 /nfs/dbraw/zinc/57/47/10/1195574710.db2.gz LPMQXCXRFZBWQA-QWHCGFSZSA-N 0 3 384.444 0.561 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)Cc3csc(NC(=O)c4ccco4)n3)CCN2C1=O ZINC000519835984 1195574974 /nfs/dbraw/zinc/57/49/74/1195574974.db2.gz ZKNRNNGYJOKVTJ-RYUDHWBXSA-N 0 3 389.437 0.301 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 ZINC000519932415 1195582645 /nfs/dbraw/zinc/58/26/45/1195582645.db2.gz UJQXJVJORIZGOQ-UHFFFAOYSA-N 0 3 376.457 0.822 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)NCCCN2CCc3ccccc3C2)nn1 ZINC000440800919 1195583084 /nfs/dbraw/zinc/58/30/84/1195583084.db2.gz HAEBGGURWNJPQD-UHFFFAOYSA-N 0 3 386.456 0.699 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000440981778 1195592427 /nfs/dbraw/zinc/59/24/27/1195592427.db2.gz OPVLSYROMCKGOA-OAHLLOKOSA-N 0 3 380.489 0.666 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000440981926 1195592436 /nfs/dbraw/zinc/59/24/36/1195592436.db2.gz KWSYYQQRPHWUGI-HUUCEWRRSA-N 0 3 380.489 0.666 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCCN2CCN(C)CC2)c1 ZINC000248004455 1195592642 /nfs/dbraw/zinc/59/26/42/1195592642.db2.gz BLWMZHDRGGZOPQ-UHFFFAOYSA-N 0 3 396.557 0.726 20 0 GCADHN CCS(=O)(=O)NC1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000440988620 1195594064 /nfs/dbraw/zinc/59/40/64/1195594064.db2.gz ZLUBCLWOWQIBPT-UHFFFAOYSA-N 0 3 389.566 0.126 20 0 GCADHN CN1CCN(CCNC(=O)NCCNS(=O)(=O)c2ccccc2)CC1(C)C ZINC000440991456 1195594318 /nfs/dbraw/zinc/59/43/18/1195594318.db2.gz YCIBJSAZHBRQKV-UHFFFAOYSA-N 0 3 397.545 0.290 20 0 GCADHN C[C@H](CNC(=O)N(C)CC(=O)NCc1ccccc1)CN1CCN(C)CC1 ZINC000441059621 1195599450 /nfs/dbraw/zinc/59/94/50/1195599450.db2.gz HJLPLMAHQGEKSQ-QGZVFWFLSA-N 0 3 375.517 0.828 20 0 GCADHN COC(=O)c1ccc(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)s1 ZINC001270837478 1195608210 /nfs/dbraw/zinc/60/82/10/1195608210.db2.gz QVBLHJYYVLRBHP-UHFFFAOYSA-N 0 3 381.454 0.150 20 0 GCADHN Cc1cc(CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)no1 ZINC000520225180 1195610033 /nfs/dbraw/zinc/61/00/33/1195610033.db2.gz BNHZVEHLDSHUOX-UHFFFAOYSA-N 0 3 387.396 0.707 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccnn3C)[C@H]2C1 ZINC000520271622 1195613325 /nfs/dbraw/zinc/61/33/25/1195613325.db2.gz QCEHKSXOONSXSD-KMANFZQXSA-N 0 3 375.473 0.261 20 0 GCADHN COC(=O)[C@@H](O)C1CCN(C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000441240205 1195613690 /nfs/dbraw/zinc/61/36/90/1195613690.db2.gz AOFCRCQSXFJKPP-WMZOPIPTSA-N 0 3 380.441 0.631 20 0 GCADHN C[C@H]1CN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCN1 ZINC000520373753 1195625698 /nfs/dbraw/zinc/62/56/98/1195625698.db2.gz DVNKJABNCAZJHX-INIZCTEOSA-N 0 3 389.500 0.851 20 0 GCADHN C[C@H](C(=O)N(C)CCCN1CCN(C)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000520359060 1195626280 /nfs/dbraw/zinc/62/62/80/1195626280.db2.gz CCDFREPBMGJGLJ-BRWVUGGUSA-N 0 3 378.517 0.646 20 0 GCADHN CN(C)C(=O)N1CCC([NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000441369884 1195629107 /nfs/dbraw/zinc/62/91/07/1195629107.db2.gz GAXFXBUFLAJZOW-UHFFFAOYSA-N 0 3 390.456 0.979 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1 ZINC000188416053 1195632358 /nfs/dbraw/zinc/63/23/58/1195632358.db2.gz XFRHVYWQBCRYJF-LSDHHAIUSA-N 0 3 376.505 0.935 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1 ZINC000188416072 1195632412 /nfs/dbraw/zinc/63/24/12/1195632412.db2.gz XFRHVYWQBCRYJF-HUUCEWRRSA-N 0 3 376.505 0.935 20 0 GCADHN O=C(NCCN1CCCC1=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000520423541 1195632788 /nfs/dbraw/zinc/63/27/88/1195632788.db2.gz DMPWHNQWLSAHSW-UHFFFAOYSA-N 0 3 396.557 0.593 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](c2ccccc2Cl)N(C)C)n1 ZINC000550334616 1195635752 /nfs/dbraw/zinc/63/57/52/1195635752.db2.gz RKXUPBNIMPVOKP-HNNXBMFYSA-N 0 3 393.923 0.730 20 0 GCADHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)CCn2cnccc2=O)C1 ZINC000550342855 1195636776 /nfs/dbraw/zinc/63/67/76/1195636776.db2.gz PVTFWTXXKCPFLY-INIZCTEOSA-N 0 3 383.452 0.969 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](c2ccco2)N2CCCCC2)n1 ZINC000550345598 1195639191 /nfs/dbraw/zinc/63/91/91/1195639191.db2.gz GXIXHPXLSNCUAM-OAHLLOKOSA-N 0 3 389.504 0.594 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C(C)C)N1CCN(C)CC1 ZINC000550383747 1195651572 /nfs/dbraw/zinc/65/15/72/1195651572.db2.gz RYWHLHVYUJIJQI-QZTJIDSGSA-N 0 3 381.565 0.173 20 0 GCADHN CCc1c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000328692354 1195660842 /nfs/dbraw/zinc/66/08/42/1195660842.db2.gz RPMBKOMYQTXANG-CQSZACIVSA-N 0 3 399.495 0.895 20 0 GCADHN CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)C(=O)N1CCOCC1 ZINC000441425833 1195664825 /nfs/dbraw/zinc/66/48/25/1195664825.db2.gz XMWLYNAUJJVJDK-QGZVFWFLSA-N 0 3 390.484 0.686 20 0 GCADHN CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@H]4CN(C)C[C@H]4C3)cc2CC1 ZINC000328880938 1195674087 /nfs/dbraw/zinc/67/40/87/1195674087.db2.gz LYCPPUDTNXWEEW-HDICACEKSA-N 0 3 377.510 0.816 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000328898226 1195675229 /nfs/dbraw/zinc/67/52/29/1195675229.db2.gz DBYNGMMTUCXMMN-UHFFFAOYSA-N 0 3 395.463 0.613 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCN1CCN(CC)CC1 ZINC000053029745 1195676639 /nfs/dbraw/zinc/67/66/39/1195676639.db2.gz ASYNYGJYIUUVHN-QGZVFWFLSA-N 0 3 388.578 0.725 20 0 GCADHN CSc1nc2nc(C)c(CC(=O)N3CCO[C@H]4CCN(C)C[C@@H]43)c(C)n2n1 ZINC000328934333 1195676712 /nfs/dbraw/zinc/67/67/12/1195676712.db2.gz CEBUBRKYDPVROL-GJZGRUSLSA-N 0 3 390.513 0.937 20 0 GCADHN CCN1CCC[C@@H](CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000328960664 1195682211 /nfs/dbraw/zinc/68/22/11/1195682211.db2.gz PPVPNFFFBFZIGC-NSHDSACASA-N 0 3 381.458 0.044 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c[nH]1 ZINC000330825629 1195709130 /nfs/dbraw/zinc/70/91/30/1195709130.db2.gz FKMWLTUCZHATKF-UHFFFAOYSA-N 0 3 398.529 0.840 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000665017154 1195722935 /nfs/dbraw/zinc/72/29/35/1195722935.db2.gz VAPGYNDIMANBKQ-UHFFFAOYSA-N 0 3 397.545 0.688 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000331295673 1195728072 /nfs/dbraw/zinc/72/80/72/1195728072.db2.gz YRZBYPDIIQGZNN-MRXNPFEDSA-N 0 3 383.514 0.760 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000520448364 1195730680 /nfs/dbraw/zinc/73/06/80/1195730680.db2.gz DGXNKMDABLHLNM-BLLLJJGKSA-N 0 3 397.476 0.645 20 0 GCADHN CS[C@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C[C@H]1N(C)C ZINC000536339386 1195740243 /nfs/dbraw/zinc/74/02/43/1195740243.db2.gz XLZYXYVVYXXIPP-KGLIPLIRSA-N 0 3 390.517 0.240 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000665036852 1195742048 /nfs/dbraw/zinc/74/20/48/1195742048.db2.gz TXWSJKBJVHTFAO-IRXDYDNUSA-N 0 3 377.489 0.963 20 0 GCADHN CCN1CCN(CCCNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000189023750 1195742557 /nfs/dbraw/zinc/74/25/57/1195742557.db2.gz AGTZYQOFVKXGFH-RBUKOAKNSA-N 0 3 392.544 0.571 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NCc1ncnn1C(C)(C)C)Cc1ccccc1 ZINC000550409791 1195743699 /nfs/dbraw/zinc/74/36/99/1195743699.db2.gz AEUCPRFJNCMUSG-INIZCTEOSA-N 0 3 386.500 0.938 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccc(N4CCCCCC4)nc3)CCN2C1=O ZINC000579377040 1195747510 /nfs/dbraw/zinc/74/75/10/1195747510.db2.gz NVOGUIAECBXYFT-SJORKVTESA-N 0 3 386.500 0.915 20 0 GCADHN CCSc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000579376777 1195748435 /nfs/dbraw/zinc/74/84/35/1195748435.db2.gz BWDTVRARHGRLIR-NOLJZWGESA-N 0 3 390.509 0.746 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000579377596 1195748662 /nfs/dbraw/zinc/74/86/62/1195748662.db2.gz SXNWTDUAGZIJGY-RDJZCZTQSA-N 0 3 398.467 0.747 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000579377595 1195748762 /nfs/dbraw/zinc/74/87/62/1195748762.db2.gz SXNWTDUAGZIJGY-NVXWUHKLSA-N 0 3 398.467 0.747 20 0 GCADHN Cn1c2ncn(CCN3CCC(Nc4ccccn4)CC3)c2c(=O)n(C)c1=O ZINC000536367621 1195750321 /nfs/dbraw/zinc/75/03/21/1195750321.db2.gz BWVFCODYNJOGSW-UHFFFAOYSA-N 0 3 383.456 0.405 20 0 GCADHN COCCN(C)CCNC(=O)N(C)CCCN1C(=O)c2ccccc2C1=O ZINC000425448247 1195751884 /nfs/dbraw/zinc/75/18/84/1195751884.db2.gz RDCKYLOHININHD-UHFFFAOYSA-N 0 3 376.457 0.892 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@]1(C)CNC(=O)C1)CC(C)(C)C ZINC001719866443 1195752570 /nfs/dbraw/zinc/75/25/70/1195752570.db2.gz QBSPLZRGQJCMNB-OHNQJVKOSA-N 0 3 378.517 0.739 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CN(C)CCO1)CC(C)(C)C ZINC001719866025 1195753438 /nfs/dbraw/zinc/75/34/38/1195753438.db2.gz CTMDNMNNLWIZIJ-LTIDMASMSA-N 0 3 380.533 0.543 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000729498051 1195754185 /nfs/dbraw/zinc/75/41/85/1195754185.db2.gz UQSVVTMVSRGMDI-WBVHZDCISA-N 0 3 376.457 0.474 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000729504936 1195774533 /nfs/dbraw/zinc/77/45/33/1195774533.db2.gz GLIIJRQQZWWQHS-IRXDYDNUSA-N 0 3 380.489 0.130 20 0 GCADHN C[C@H]1CCN(C(=O)NCCOCCS(N)(=O)=O)CCN1Cc1ccccc1 ZINC000665101767 1195776241 /nfs/dbraw/zinc/77/62/41/1195776241.db2.gz MABPSVKWVSVORP-INIZCTEOSA-N 0 3 398.529 0.598 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)NC2CCN(CCOC(C)C)CC2)nn1 ZINC000441526058 1195778081 /nfs/dbraw/zinc/77/80/81/1195778081.db2.gz SLFVBHMHONODIG-UHFFFAOYSA-N 0 3 382.465 0.140 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C(=O)N1c1cnn(C)c1 ZINC000655625881 1195784500 /nfs/dbraw/zinc/78/45/00/1195784500.db2.gz MSIWHQLKYIQKQX-FMKPAKJESA-N 0 3 378.477 0.060 20 0 GCADHN CS(=O)(=O)CC1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000895080676 1195786902 /nfs/dbraw/zinc/78/69/02/1195786902.db2.gz ONXGUAXAAQLVSI-BHUNQDJPSA-N 0 3 387.546 0.830 20 0 GCADHN COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 ZINC000614611677 1195797611 /nfs/dbraw/zinc/79/76/11/1195797611.db2.gz QGVWOZYNQYMHJY-ZBFHGGJFSA-N 0 3 384.502 0.330 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 ZINC000614618849 1195800559 /nfs/dbraw/zinc/80/05/59/1195800559.db2.gz VGAYMMFWLVAPRH-AWEZNQCLSA-N 0 3 382.530 0.646 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCN1CCOC ZINC000520654939 1195814419 /nfs/dbraw/zinc/81/44/19/1195814419.db2.gz RMKBSXOXBBBNCJ-JFIYKMOQSA-N 0 3 380.533 0.687 20 0 GCADHN CCS(=O)(=O)N1CCC(C(=O)NC(C)(C)CCN2CCN(C)CC2)CC1 ZINC000184191504 1195815834 /nfs/dbraw/zinc/81/58/34/1195815834.db2.gz BNXXCPABSBPQRP-UHFFFAOYSA-N 0 3 388.578 0.580 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)CC(C)(C)C)C1 ZINC001719888881 1195815882 /nfs/dbraw/zinc/81/58/82/1195815882.db2.gz JOUUFGNZZLLORK-ZACQAIPSSA-N 0 3 378.517 0.691 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000665147685 1195819781 /nfs/dbraw/zinc/81/97/81/1195819781.db2.gz TYOKNVCANPYQQJ-MRXNPFEDSA-N 0 3 393.463 0.592 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000441711543 1195823352 /nfs/dbraw/zinc/82/33/52/1195823352.db2.gz DBWDTSAIRLMFHK-AWEZNQCLSA-N 0 3 375.473 0.114 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccc(C(=O)NC)c2)CC1 ZINC000441719144 1195824864 /nfs/dbraw/zinc/82/48/64/1195824864.db2.gz PMZRMROUSUPJRB-OAHLLOKOSA-N 0 3 389.500 0.375 20 0 GCADHN COc1cc(OC)c(CNC(=O)CN2CC[C@H](c3nc[nH]n3)C2)c(OC)c1 ZINC000425552433 1195828701 /nfs/dbraw/zinc/82/87/01/1195828701.db2.gz RTFWFLZHFSCQDP-LBPRGKRZSA-N 0 3 375.429 0.936 20 0 GCADHN CCN1C(=O)C[C@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@H]1c1cccnc1 ZINC000665214574 1195852620 /nfs/dbraw/zinc/85/26/20/1195852620.db2.gz AGLJGWXYCRJWRF-MUQADHOPSA-N 0 3 375.473 0.307 20 0 GCADHN COC1CCN(C2(CNS(=O)(=O)c3cc(C(N)=O)n(C)c3)CCCC2)CC1 ZINC000520779303 1195855084 /nfs/dbraw/zinc/85/50/84/1195855084.db2.gz PQDXUZMSYZMBJC-UHFFFAOYSA-N 0 3 398.529 0.826 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000427702499 1195868077 /nfs/dbraw/zinc/86/80/77/1195868077.db2.gz UAEOBRPJMIMPSA-OAHLLOKOSA-N 0 3 398.467 0.918 20 0 GCADHN CCOC(=O)c1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nc1 ZINC000550448272 1195891383 /nfs/dbraw/zinc/89/13/83/1195891383.db2.gz DGJJXWHEWVRENM-INIZCTEOSA-N 0 3 376.457 0.931 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCc1cccc(C(=O)NC)c1 ZINC000508048882 1195894130 /nfs/dbraw/zinc/89/41/30/1195894130.db2.gz DJIAGCKKVSRJAH-MSOLQXFVSA-N 0 3 386.496 0.790 20 0 GCADHN CCN1CCN(CCC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000508207888 1195906019 /nfs/dbraw/zinc/90/60/19/1195906019.db2.gz VJERECFTKWWCEA-UHFFFAOYSA-N 0 3 379.505 0.385 20 0 GCADHN CN1CCN(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1(C)C ZINC000508285730 1195914406 /nfs/dbraw/zinc/91/44/06/1195914406.db2.gz CNPPBTBPHXUBMK-ZOBUZTSGSA-N 0 3 397.589 0.854 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)sn1 ZINC000508302649 1195917014 /nfs/dbraw/zinc/91/70/14/1195917014.db2.gz DGRNXUMQBDJBEF-YHWZYXNKSA-N 0 3 379.486 0.590 20 0 GCADHN CCc1csc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)n1 ZINC000508325315 1195917067 /nfs/dbraw/zinc/91/70/67/1195917067.db2.gz MUQVTULVJLLUSV-AGUYFDCRSA-N 0 3 393.513 0.844 20 0 GCADHN C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCN(CCN2CCNC2=O)C1 ZINC001270975506 1195923662 /nfs/dbraw/zinc/92/36/62/1195923662.db2.gz ZBKWKIPLOIUMBX-BGJDBYLFSA-N 0 3 376.501 0.653 20 0 GCADHN Cc1c(C(=O)NC[C@H]2CCCNC2=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000665261216 1195925855 /nfs/dbraw/zinc/92/58/55/1195925855.db2.gz XPBPXZRBMCCWBI-CQSZACIVSA-N 0 3 382.468 0.820 20 0 GCADHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000441917195 1195931222 /nfs/dbraw/zinc/93/12/22/1195931222.db2.gz ULPLVMKTMJLDOQ-UHFFFAOYSA-N 0 3 393.440 0.982 20 0 GCADHN COc1ccc(Cl)cc1C(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001271004861 1195932750 /nfs/dbraw/zinc/93/27/50/1195932750.db2.gz PFFFNMMRGHVSME-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2csc3nccn23)CC1=O ZINC000520892940 1195933481 /nfs/dbraw/zinc/93/34/81/1195933481.db2.gz KHUHPCDMJOZPAT-ZDUSSCGKSA-N 0 3 379.486 0.234 20 0 GCADHN CCc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1S(N)(=O)=O ZINC000441939595 1195933640 /nfs/dbraw/zinc/93/36/40/1195933640.db2.gz ZDLZTNTZOJKUME-UHFFFAOYSA-N 0 3 382.486 0.388 20 0 GCADHN CC[C@@H](O)CCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000441950154 1195934865 /nfs/dbraw/zinc/93/48/65/1195934865.db2.gz OHZGFTHUBJGCOF-CQSZACIVSA-N 0 3 392.456 0.762 20 0 GCADHN CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)NCCN(C)C3CC3)cc21 ZINC000441998049 1195937557 /nfs/dbraw/zinc/93/75/57/1195937557.db2.gz NOULLFISSYDUIH-UHFFFAOYSA-N 0 3 385.468 0.878 20 0 GCADHN O=C(Nc1ccc(CCN2CCOCC2)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000441988080 1195939278 /nfs/dbraw/zinc/93/92/78/1195939278.db2.gz MVAXVHIFDHDWFG-GOSISDBHSA-N 0 3 386.496 0.853 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cnn(C3CCOCC3)c2)C1 ZINC000441987951 1195939347 /nfs/dbraw/zinc/93/93/47/1195939347.db2.gz SAXFAURSXFEVLV-CQSZACIVSA-N 0 3 399.517 0.100 20 0 GCADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CCN(C)CC[C@@H]1C ZINC000442034055 1195945560 /nfs/dbraw/zinc/94/55/60/1195945560.db2.gz YPONLFJATKAAKI-LBPRGKRZSA-N 0 3 383.460 0.417 20 0 GCADHN CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000521131785 1195964491 /nfs/dbraw/zinc/96/44/91/1195964491.db2.gz CNFZGSQXJLODSG-AWEZNQCLSA-N 0 3 377.493 0.179 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000442247010 1195965354 /nfs/dbraw/zinc/96/53/54/1195965354.db2.gz CLZCAQPEJWQUMZ-KRWDZBQOSA-N 0 3 386.456 0.867 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)nn1 ZINC000442232951 1195966440 /nfs/dbraw/zinc/96/64/40/1195966440.db2.gz CWBQPITXCBXYIY-UHFFFAOYSA-N 0 3 390.444 0.850 20 0 GCADHN CN(C)C(=O)CCN1CCC(NC(=O)c2nn(C)c3ccccc3c2=O)CC1 ZINC000521179360 1195974147 /nfs/dbraw/zinc/97/41/47/1195974147.db2.gz NHXXJBZOWWSNBP-UHFFFAOYSA-N 0 3 385.468 0.606 20 0 GCADHN COc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1-n1cnnn1 ZINC000442341354 1195979193 /nfs/dbraw/zinc/97/91/93/1195979193.db2.gz ONACMHFBSLQZAE-LBPRGKRZSA-N 0 3 385.428 0.376 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000550457966 1195980722 /nfs/dbraw/zinc/98/07/22/1195980722.db2.gz JOMYTNANFOTWCX-SJORKVTESA-N 0 3 382.549 0.696 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)NCc2nc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc(=O)[n-]2)O1 ZINC000984134706 1195980998 /nfs/dbraw/zinc/98/09/98/1195980998.db2.gz DVBDRJJTQXEANA-QHSBEEBCSA-N 0 3 391.472 0.322 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)NCc2nc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc(=O)[n-]2)O1 ZINC000984134706 1195980999 /nfs/dbraw/zinc/98/09/99/1195980999.db2.gz DVBDRJJTQXEANA-QHSBEEBCSA-N 0 3 391.472 0.322 20 0 GCADHN CCO[C@@H](C)c1noc(CN(C)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)n1 ZINC000521281160 1195983463 /nfs/dbraw/zinc/98/34/63/1195983463.db2.gz KCGPVVVHTULLGX-SJCJKPOMSA-N 0 3 399.517 0.679 20 0 GCADHN COc1ccc([C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C(C)C)cc1 ZINC000521272872 1195984138 /nfs/dbraw/zinc/98/41/38/1195984138.db2.gz HCYWJHSHCQMZDT-DJIMGWMZSA-N 0 3 388.468 0.279 20 0 GCADHN COc1ccc([C@@H](CO)N(C)C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000521392233 1195994021 /nfs/dbraw/zinc/99/40/21/1195994021.db2.gz MWKDMKBOBUHDRL-SJLPKXTDSA-N 0 3 375.469 0.884 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)NCCc3ccn(C)n3)CC2)C[C@H](C)O1 ZINC000521506380 1195999201 /nfs/dbraw/zinc/99/92/01/1195999201.db2.gz UGRGZRICTSGYGR-HOTGVXAUSA-N 0 3 391.516 0.427 20 0 GCADHN CC[C@H](C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000442721133 1196000590 /nfs/dbraw/zinc/00/05/90/1196000590.db2.gz MFSCQJJUIREFMZ-GUYCJALGSA-N 0 3 397.497 0.664 20 0 GCADHN CNS(=O)(=O)CCCN[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000442797791 1196004535 /nfs/dbraw/zinc/00/45/35/1196004535.db2.gz XXWJEZIOAZDSHH-KGLIPLIRSA-N 0 3 391.534 0.483 20 0 GCADHN CNS(=O)(=O)CCCN[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000442797793 1196004596 /nfs/dbraw/zinc/00/45/96/1196004596.db2.gz XXWJEZIOAZDSHH-UONOGXRCSA-N 0 3 391.534 0.483 20 0 GCADHN c1ccc2c(c1)nc(N[C@H]1CCCN(CCN3CCOCC3)C1)c1nnnn12 ZINC000895167084 1196006541 /nfs/dbraw/zinc/00/65/41/1196006541.db2.gz VBXBXBBTLSCONS-HNNXBMFYSA-N 0 3 382.472 0.881 20 0 GCADHN COc1cccc(CN(C)C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000521650823 1196008978 /nfs/dbraw/zinc/00/89/78/1196008978.db2.gz DLYXCUDMTVJBQW-MRXNPFEDSA-N 0 3 376.501 0.653 20 0 GCADHN CC(=O)NCc1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000443110851 1196019794 /nfs/dbraw/zinc/01/97/94/1196019794.db2.gz CAMXWWATQDLTLJ-UHFFFAOYSA-N 0 3 389.500 0.403 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1(C)C ZINC000443110126 1196019857 /nfs/dbraw/zinc/01/98/57/1196019857.db2.gz APUYCUVEEXGFHC-UHFFFAOYSA-N 0 3 385.472 0.348 20 0 GCADHN CN(C)C(=O)c1cccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000443105648 1196020085 /nfs/dbraw/zinc/02/00/85/1196020085.db2.gz CFNYUPQJUFBZQK-UHFFFAOYSA-N 0 3 389.500 0.469 20 0 GCADHN CC(=O)Nc1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)ccc1F ZINC000443113687 1196020979 /nfs/dbraw/zinc/02/09/79/1196020979.db2.gz UVKDCOMDRUZRPC-UHFFFAOYSA-N 0 3 393.463 0.865 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc([S@@](C)=O)cc2)CC1(C)C ZINC000443116047 1196021039 /nfs/dbraw/zinc/02/10/39/1196021039.db2.gz AYZJOCHJBXFBBZ-AREMUKBSSA-N 0 3 380.514 0.505 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccnn2Cc2ccccn2)CC1(C)C ZINC000443120976 1196021618 /nfs/dbraw/zinc/02/16/18/1196021618.db2.gz CAQDXQWHAUMASO-UHFFFAOYSA-N 0 3 399.499 0.407 20 0 GCADHN Cc1c(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cnn1CC(C)C ZINC000443124908 1196021648 /nfs/dbraw/zinc/02/16/48/1196021648.db2.gz ULBNFENOUWTXKD-UHFFFAOYSA-N 0 3 378.521 0.928 20 0 GCADHN Cn1cc(-c2ncccc2NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cn1 ZINC000443130826 1196022106 /nfs/dbraw/zinc/02/21/06/1196022106.db2.gz NZXMOVVTUNASEK-UHFFFAOYSA-N 0 3 399.499 0.563 20 0 GCADHN C[C@@H]1NC(=O)CC[C@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000443253926 1196031449 /nfs/dbraw/zinc/03/14/49/1196031449.db2.gz HGWZEDNTZJYLLB-SWLSCSKDSA-N 0 3 389.456 0.276 20 0 GCADHN CCN(C)C(=O)c1cccc(S(=O)(=O)NCCN2CCN(CC)CC2)c1 ZINC000522010220 1196033902 /nfs/dbraw/zinc/03/39/02/1196033902.db2.gz HKERCRGLIUVEEQ-UHFFFAOYSA-N 0 3 382.530 0.694 20 0 GCADHN O=C(NC1CC1)c1cccc(S(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000443284238 1196035356 /nfs/dbraw/zinc/03/53/56/1196035356.db2.gz OSCXAXHZDXTNLX-UHFFFAOYSA-N 0 3 381.498 0.561 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000522025769 1196035922 /nfs/dbraw/zinc/03/59/22/1196035922.db2.gz WZWGQZDAAKJJDW-HNNXBMFYSA-N 0 3 392.504 0.078 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3nc4c(s3)CCCCC4)CCN2C1=O ZINC000522015210 1196036342 /nfs/dbraw/zinc/03/63/42/1196036342.db2.gz UAAJPLBFFPKWKC-QWRGUYRKSA-N 0 3 377.470 0.121 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000443296619 1196036937 /nfs/dbraw/zinc/03/69/37/1196036937.db2.gz POIPLFCZQVWRQP-GFCCVEGCSA-N 0 3 396.469 0.412 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000550467122 1196041105 /nfs/dbraw/zinc/04/11/05/1196041105.db2.gz NBEYGNHLHBRWJA-UHFFFAOYSA-N 0 3 378.448 0.567 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000522102808 1196044088 /nfs/dbraw/zinc/04/40/88/1196044088.db2.gz FIABAYJEAUXKRJ-DLBZAZTESA-N 0 3 393.532 0.726 20 0 GCADHN COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)n1 ZINC000550470218 1196047953 /nfs/dbraw/zinc/04/79/53/1196047953.db2.gz GKSKVDJBMPVTFE-NSHDSACASA-N 0 3 382.486 0.990 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[C@@](C)(C(N)=O)C1 ZINC000280846143 1196048611 /nfs/dbraw/zinc/04/86/11/1196048611.db2.gz XPVXAOMIMDPRPP-XWCIJXRUSA-N 0 3 382.486 0.097 20 0 GCADHN CC1(C)NC(=O)N(CCCN2C[C@@H]3CCN(C(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)C1=O ZINC001075816626 1196056091 /nfs/dbraw/zinc/05/60/91/1196056091.db2.gz INANDFOJZJOHSR-CJXDPKRBSA-N 0 3 390.484 0.276 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)CCN1CCN1C(=O)CNC1=O ZINC001087653242 1196056815 /nfs/dbraw/zinc/05/68/15/1196056815.db2.gz LWMDGQLKVAWBTC-VVLHAWIVSA-N 0 3 392.500 0.570 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)CC1 ZINC000522187123 1196057271 /nfs/dbraw/zinc/05/72/71/1196057271.db2.gz IABDDBCLGMVYFE-CQSZACIVSA-N 0 3 387.484 0.466 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCN1CCc1cnn(C)c1 ZINC001087669955 1196058576 /nfs/dbraw/zinc/05/85/76/1196058576.db2.gz ZONDILMZQOECMP-LTFXXXRZSA-N 0 3 376.501 0.983 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)ccc1C ZINC000665344683 1196063306 /nfs/dbraw/zinc/06/33/06/1196063306.db2.gz SATKNIPLHCSLPS-UHFFFAOYSA-N 0 3 399.517 0.387 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CCN1CCn1cccn1 ZINC001087724036 1196066468 /nfs/dbraw/zinc/06/64/68/1196066468.db2.gz SGLGZTCZWDJAFA-HZMVEIRTSA-N 0 3 377.489 0.488 20 0 GCADHN 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C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@]2(CCOC2)O1 ZINC000474297174 1196107458 /nfs/dbraw/zinc/10/74/58/1196107458.db2.gz LALKOXKYMNPBKZ-GPMSIDNRSA-N 0 3 382.505 0.519 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)NC2CCN(CCOC)CC2)C1 ZINC000522434084 1196111639 /nfs/dbraw/zinc/11/16/39/1196111639.db2.gz SNYHJWGVFSXZAA-CVEARBPZSA-N 0 3 384.521 0.670 20 0 GCADHN CC[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@]2(CCOC2)O1 ZINC000474383658 1196113438 /nfs/dbraw/zinc/11/34/38/1196113438.db2.gz KSVMJABNETXNNE-QUCCMNQESA-N 0 3 398.548 0.356 20 0 GCADHN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)NCCN2CCC(O)CC2)C1 ZINC000895890051 1196116564 /nfs/dbraw/zinc/11/65/64/1196116564.db2.gz BUQZBMFEDHCNKZ-IBGZPJMESA-N 0 3 389.544 0.559 20 0 GCADHN COCCN(CCN(C)C)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000729550394 1196119299 /nfs/dbraw/zinc/11/92/99/1196119299.db2.gz FOHAQTJYHSATFU-UHFFFAOYSA-N 0 3 388.490 0.910 20 0 GCADHN Cc1cc(NC(=O)CN[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n(C)n1 ZINC001691523760 1196128641 /nfs/dbraw/zinc/12/86/41/1196128641.db2.gz LTJWDJFKCOSSMP-QCODTGAPSA-N 0 3 375.473 0.719 20 0 GCADHN O=C(NCCCCN1CCN(c2ncccn2)CC1)C1CN([C@H]2CCOC2)C1 ZINC000896174300 1196130987 /nfs/dbraw/zinc/13/09/87/1196130987.db2.gz OFLUZANCUBEVGZ-SFHVURJKSA-N 0 3 388.516 0.216 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000143961420 1196131264 /nfs/dbraw/zinc/13/12/64/1196131264.db2.gz FREUPFAYRNQJOO-CQSZACIVSA-N 0 3 375.473 0.200 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000143961420 1196131267 /nfs/dbraw/zinc/13/12/67/1196131267.db2.gz FREUPFAYRNQJOO-CQSZACIVSA-N 0 3 375.473 0.200 20 0 GCADHN CN1CCN(C)CCN(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC000896207196 1196133290 /nfs/dbraw/zinc/13/32/90/1196133290.db2.gz QLUUDDMPHXUFJV-UHFFFAOYSA-N 0 3 397.564 0.681 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)c(C)c2)CC1 ZINC000665444602 1196144236 /nfs/dbraw/zinc/14/42/36/1196144236.db2.gz QKFOOQZBLDIGLT-GUDVDZBRSA-N 0 3 375.469 0.488 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CNS(=O)(=O)N(C)C)c(C)c2)CC1 ZINC000665444638 1196145008 /nfs/dbraw/zinc/14/50/08/1196145008.db2.gz RQFAGFMMJVYDPF-UHFFFAOYSA-N 0 3 383.518 0.471 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1COCCN1CC(F)F ZINC000474723171 1196145935 /nfs/dbraw/zinc/14/59/35/1196145935.db2.gz OEUQWYMCDIMFCO-KGLIPLIRSA-N 0 3 376.448 0.011 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)no2)CC1 ZINC000896403687 1196146707 /nfs/dbraw/zinc/14/67/07/1196146707.db2.gz MBWILHBYQITOSP-SNVBAGLBSA-N 0 3 390.366 0.536 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000474818013 1196152565 /nfs/dbraw/zinc/15/25/65/1196152565.db2.gz RBPFBLKFXLJIEV-IBGZPJMESA-N 0 3 379.505 0.239 20 0 GCADHN CCN1C[C@H](C)N(CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000329011466 1196156156 /nfs/dbraw/zinc/15/61/56/1196156156.db2.gz DTOIBNFCDZRORK-JYJNAYRXSA-N 0 3 397.545 0.904 20 0 GCADHN COc1cc2c(cc1OC)CN(CC(=O)N1CCO[C@@H]3CCN(C)C[C@@H]31)CC2 ZINC000329027725 1196157367 /nfs/dbraw/zinc/15/73/67/1196157367.db2.gz OPICNMABKOYYLW-ZWKOTPCHSA-N 0 3 389.496 0.993 20 0 GCADHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000329033126 1196158363 /nfs/dbraw/zinc/15/83/63/1196158363.db2.gz QHXRZLKTUAVXDN-IXDOHACOSA-N 0 3 389.500 0.746 20 0 GCADHN O=S(=O)(NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cnn([C@H]2CCOC2)c1 ZINC000443781097 1196160068 /nfs/dbraw/zinc/16/00/68/1196160068.db2.gz UMBZOQQICVWPFJ-JQHSSLGASA-N 0 3 398.529 0.891 20 0 GCADHN O=C([C@@H]1CN2CCN1CCC2)N1CCOC[C@H]1c1ncnn1-c1ccccc1 ZINC000329104631 1196163805 /nfs/dbraw/zinc/16/38/05/1196163805.db2.gz GSTHZTKSJAANSL-ROUUACIJSA-N 0 3 382.468 0.557 20 0 GCADHN C[C@@H](NC(=O)CNC(=O)c1cnc2ccccc2c1O)[C@@H]1CN(C)CCN1C ZINC000896573021 1196167965 /nfs/dbraw/zinc/16/79/65/1196167965.db2.gz WLQXYLZNCBUGMU-DYVFJYSZSA-N 0 3 385.468 0.008 20 0 GCADHN O=S1(=O)C[C@H](NC2CCN(c3ccccc3)CC2)[C@@H](N2CCOCC2)C1 ZINC000329225514 1196177829 /nfs/dbraw/zinc/17/78/29/1196177829.db2.gz GJEOSCHUYBQUNV-OALUTQOASA-N 0 3 379.526 0.743 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000329314641 1196184765 /nfs/dbraw/zinc/18/47/65/1196184765.db2.gz HBKUSFIELXNLIE-VVLHAWIVSA-N 0 3 387.546 0.901 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CCCCCC1 ZINC000329384700 1196191310 /nfs/dbraw/zinc/19/13/10/1196191310.db2.gz PNAMENSROHPMGY-IRXDYDNUSA-N 0 3 387.546 0.904 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000896761414 1196204132 /nfs/dbraw/zinc/20/41/32/1196204132.db2.gz NIJLQSMJKWYWGY-AWEZNQCLSA-N 0 3 387.406 0.753 20 0 GCADHN Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H]1CCCCO1 ZINC000329581605 1196206803 /nfs/dbraw/zinc/20/68/03/1196206803.db2.gz AFTJCBHXSIMJJO-IRXDYDNUSA-N 0 3 376.505 0.898 20 0 GCADHN Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H]1CCCCO1 ZINC000329581603 1196206964 /nfs/dbraw/zinc/20/69/64/1196206964.db2.gz 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Cc1ccccc1CN1CCCN(C(=O)CN2CCN3C(=O)N=NC3C2)CC1 ZINC000329990764 1196244755 /nfs/dbraw/zinc/24/47/55/1196244755.db2.gz JGJCWCQHLMYFJI-UHFFFAOYSA-N 0 3 384.484 0.842 20 0 GCADHN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330081896 1196251370 /nfs/dbraw/zinc/25/13/70/1196251370.db2.gz ALHCZWCGWDZZPS-TZMCWYRMSA-N 0 3 393.517 0.254 20 0 GCADHN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330081894 1196251451 /nfs/dbraw/zinc/25/14/51/1196251451.db2.gz ALHCZWCGWDZZPS-JSGCOSHPSA-N 0 3 393.517 0.254 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000330104408 1196253174 /nfs/dbraw/zinc/25/31/74/1196253174.db2.gz GXYZQCIIGYNTCG-OAHLLOKOSA-N 0 3 385.424 0.420 20 0 GCADHN O=S(=O)(NC1CCCC1)C1CN(C[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000330116966 1196254000 /nfs/dbraw/zinc/25/40/00/1196254000.db2.gz WGGRVTCYIHFGMJ-LJQANCHMSA-N 0 3 393.553 0.952 20 0 GCADHN CC(C)n1cnnc1SCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330127230 1196254984 /nfs/dbraw/zinc/25/49/84/1196254984.db2.gz MRSBWEPQANIFQI-CQSZACIVSA-N 0 3 380.518 0.716 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000330140074 1196255907 /nfs/dbraw/zinc/25/59/07/1196255907.db2.gz WRNIYAPVJFZTSW-GJZGRUSLSA-N 0 3 396.557 0.699 20 0 GCADHN CS[C@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@H]1N1CCCC1 ZINC000330179916 1196258319 /nfs/dbraw/zinc/25/83/19/1196258319.db2.gz MWKUGSXNAXVISX-KGLIPLIRSA-N 0 3 389.481 0.686 20 0 GCADHN CC(C)c1ncc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000281106855 1196277757 /nfs/dbraw/zinc/27/77/57/1196277757.db2.gz UKNPVBGACSCQLO-HNNXBMFYSA-N 0 3 388.472 0.304 20 0 GCADHN Cc1nnc(SCC(=O)N2CC[C@]3(CCN(CCN(C)C)C3=O)C2)s1 ZINC001271223809 1196278216 /nfs/dbraw/zinc/27/82/16/1196278216.db2.gz CASBUYXXIYLFHU-MRXNPFEDSA-N 0 3 383.543 0.951 20 0 GCADHN O=S(=O)(N1CCOCC1)N1CCC[C@@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000330362836 1196303104 /nfs/dbraw/zinc/30/31/04/1196303104.db2.gz ZYIXCAPTIGFCHK-OAHLLOKOSA-N 0 3 383.518 0.762 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000522774881 1196312477 /nfs/dbraw/zinc/31/24/77/1196312477.db2.gz OZLXUOLZCROKMI-UHFFFAOYSA-N 0 3 384.864 0.813 20 0 GCADHN CN1CCN(CCNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1(C)C ZINC000281663994 1196319886 /nfs/dbraw/zinc/31/98/86/1196319886.db2.gz CNAGVECBNKBKFE-HZPDHXFCSA-N 0 3 392.525 0.833 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CN1C1CC1 ZINC000281702180 1196324288 /nfs/dbraw/zinc/32/42/88/1196324288.db2.gz WAWJILOBCBBSTK-DZGCQCFKSA-N 0 3 381.498 0.654 20 0 GCADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281789090 1196334091 /nfs/dbraw/zinc/33/40/91/1196334091.db2.gz NUZPKYMKODKPJW-UHFFFAOYSA-N 0 3 388.516 0.563 20 0 GCADHN CNC(=O)COc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1OC ZINC000281827192 1196338469 /nfs/dbraw/zinc/33/84/69/1196338469.db2.gz RQMGYSVDZYKVMZ-UHFFFAOYSA-N 0 3 392.500 0.576 20 0 GCADHN COC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281831628 1196339013 /nfs/dbraw/zinc/33/90/13/1196339013.db2.gz FFPAYKOLZVLFKG-UHFFFAOYSA-N 0 3 391.472 0.946 20 0 GCADHN Cc1nc(C)c(CC(=O)N2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)s1 ZINC001271379414 1196344471 /nfs/dbraw/zinc/34/44/71/1196344471.db2.gz IANCOPCLKIWGOX-SFHVURJKSA-N 0 3 380.514 0.694 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000522829015 1196347775 /nfs/dbraw/zinc/34/77/75/1196347775.db2.gz JACGNYSFBYCTFV-CYBMUJFWSA-N 0 3 393.463 0.253 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1(C)C ZINC000444158251 1196353378 /nfs/dbraw/zinc/35/33/78/1196353378.db2.gz SWKAKXGMELEXJT-YJYMSZOUSA-N 0 3 380.489 0.890 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)C1(C)C ZINC000444167405 1196354876 /nfs/dbraw/zinc/35/48/76/1196354876.db2.gz MTCJYOYBJSQOKK-DNVCBOLYSA-N 0 3 392.504 0.128 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1(C)C ZINC000444174621 1196356865 /nfs/dbraw/zinc/35/68/65/1196356865.db2.gz GOKBLHVXJVCKEF-YJBOKZPZSA-N 0 3 396.513 0.447 20 0 GCADHN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(CC2CCOCC2)CC1 ZINC000522887747 1196359369 /nfs/dbraw/zinc/35/93/69/1196359369.db2.gz JDTLBLSXPUPATN-IAGOWNOFSA-N 0 3 377.485 0.732 20 0 GCADHN CCc1noc(C)c1CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104785 1196360312 /nfs/dbraw/zinc/36/03/12/1196360312.db2.gz ZZSOBGYABDOSOM-IDCJVQTKSA-N 0 3 390.484 0.859 20 0 GCADHN CNC(=O)c1cccc(CN2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)c1 ZINC001088108980 1196363292 /nfs/dbraw/zinc/36/32/92/1196363292.db2.gz DPWQWGAKHYFAML-XDNAFOTISA-N 0 3 384.480 0.448 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001088115169 1196366552 /nfs/dbraw/zinc/36/65/52/1196366552.db2.gz BNWCNUVTQGMNQG-JJTUDDRGSA-N 0 3 375.469 0.483 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000670984850 1196367852 /nfs/dbraw/zinc/36/78/52/1196367852.db2.gz SUACIDFMWPXYPW-NEPJUHHUSA-N 0 3 378.395 0.114 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)C1(C)C ZINC000444261462 1196368934 /nfs/dbraw/zinc/36/89/34/1196368934.db2.gz YBOROJNGGKTLKA-IFXJQAMLSA-N 0 3 376.505 0.724 20 0 GCADHN Cc1cccc(-n2cc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)nn2)c1 ZINC000103121806 1196373500 /nfs/dbraw/zinc/37/35/00/1196373500.db2.gz MKEBAKUIVPGSEF-UHFFFAOYSA-N 0 3 382.468 0.956 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2cnc3c(C)cccc3c2=O)CC1 ZINC000103449360 1196375952 /nfs/dbraw/zinc/37/59/52/1196375952.db2.gz DLXRYCLPUDJFOZ-UHFFFAOYSA-N 0 3 399.495 0.718 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)CC1 ZINC000103530852 1196376950 /nfs/dbraw/zinc/37/69/50/1196376950.db2.gz JBJDRKJBEIVCLR-UHFFFAOYSA-N 0 3 396.438 0.707 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(CC[NH+](C)C)CC(C)C ZINC000104528947 1196384901 /nfs/dbraw/zinc/38/49/01/1196384901.db2.gz AGDCMERAEMCAHV-UHFFFAOYSA-N 0 3 393.532 0.894 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)Cc2nc[nH]c2C)CCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000985217873 1196391105 /nfs/dbraw/zinc/39/11/05/1196391105.db2.gz BLHPOLDABLAOCV-IMYGGXQCSA-N 0 3 390.484 0.808 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)Cc2nc[nH]c2C)CCN1C(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC000985223575 1196392025 /nfs/dbraw/zinc/39/20/25/1196392025.db2.gz FHXAFHSXGWSAIL-WXYCVUISSA-N 0 3 375.473 0.671 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 ZINC000609812796 1196410600 /nfs/dbraw/zinc/41/06/00/1196410600.db2.gz MIQDLVNLJFVSML-YOEHRIQHSA-N 0 3 389.452 0.944 20 0 GCADHN CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)C2 ZINC001719902465 1196415207 /nfs/dbraw/zinc/41/52/07/1196415207.db2.gz GZPMPGRAOJIXNR-TUVASFSCSA-N 0 3 378.473 0.114 20 0 GCADHN CC(C)C(=O)N[C@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000101551983 1196416977 /nfs/dbraw/zinc/41/69/77/1196416977.db2.gz GJJZVWHVXUZKNF-KRWDZBQOSA-N 0 3 388.516 0.752 20 0 GCADHN CN1CCN(CCNC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)CC1(C)C ZINC000282001745 1196417888 /nfs/dbraw/zinc/41/78/88/1196417888.db2.gz QKNQCYLIYZQABD-OAHLLOKOSA-N 0 3 380.514 0.840 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@@H](O)C3)cn2)CC1 ZINC000475442834 1196423004 /nfs/dbraw/zinc/42/30/04/1196423004.db2.gz DSBNOZWGHIZBEP-UKRRQHHQSA-N 0 3 376.457 0.770 20 0 GCADHN CCC[C@@H](O)[C@@H](CO)NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000665642780 1196424150 /nfs/dbraw/zinc/42/41/50/1196424150.db2.gz SPLPEPIRVJIOKN-SJLPKXTDSA-N 0 3 387.484 0.815 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)c1cc3c(s1)CCOC3)C2 ZINC001271602169 1196435227 /nfs/dbraw/zinc/43/52/27/1196435227.db2.gz FLEPGUJYKKGXBQ-UHFFFAOYSA-N 0 3 379.482 0.436 20 0 GCADHN CNS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(F)c1 ZINC000301922077 1196437140 /nfs/dbraw/zinc/43/71/40/1196437140.db2.gz JSFCFKKVFCBCEZ-INIZCTEOSA-N 0 3 384.477 0.477 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC1 ZINC000301983344 1196437476 /nfs/dbraw/zinc/43/74/76/1196437476.db2.gz YKEIJYQABIDTKY-WBVHZDCISA-N 0 3 388.516 0.604 20 0 GCADHN CC(C)(CNC(=O)C1CCN(S(N)(=O)=O)CC1)N1CCc2ccccc2C1 ZINC000024620625 1196463987 /nfs/dbraw/zinc/46/39/87/1196463987.db2.gz JNDLJLHWOGREFN-UHFFFAOYSA-N 0 3 394.541 0.855 20 0 GCADHN CN(C)C[C@H]1CN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CCO1 ZINC000107305131 1196473503 /nfs/dbraw/zinc/47/35/03/1196473503.db2.gz DBJNZDHCFIYULG-IBGZPJMESA-N 0 3 388.512 0.670 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000648106919 1196479134 /nfs/dbraw/zinc/47/91/34/1196479134.db2.gz HYHCGISOQJGJJV-MFKMUULPSA-N 0 3 393.469 0.808 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCN1C(=O)CN(C)C1CCC1 ZINC000985497753 1196480603 /nfs/dbraw/zinc/48/06/03/1196480603.db2.gz MYSQLFNTZAZSDQ-VVLHAWIVSA-N 0 3 378.517 0.691 20 0 GCADHN CN(C)c1cccnc1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000460340301 1196486577 /nfs/dbraw/zinc/48/65/77/1196486577.db2.gz SNLHJGAYDYUOJW-UHFFFAOYSA-N 0 3 378.521 0.337 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC1 ZINC000110537785 1196489794 /nfs/dbraw/zinc/48/97/94/1196489794.db2.gz GEXJASGFGMGOLX-QGZVFWFLSA-N 0 3 388.516 0.430 20 0 GCADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000115565884 1196496055 /nfs/dbraw/zinc/49/60/55/1196496055.db2.gz AVHZLUZYXXCTCZ-SHARSMKWSA-N 0 3 391.516 0.434 20 0 GCADHN CC(=O)NCC(=O)NCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000444541363 1196501733 /nfs/dbraw/zinc/50/17/33/1196501733.db2.gz HQGBEHDVTARGNQ-UHFFFAOYSA-N 0 3 376.457 0.082 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCN1CCOC(C)(C)C1 ZINC000523208970 1196502309 /nfs/dbraw/zinc/50/23/09/1196502309.db2.gz SMRSZSBKSWNDGD-INIZCTEOSA-N 0 3 383.537 0.339 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000523210081 1196502371 /nfs/dbraw/zinc/50/23/71/1196502371.db2.gz KKZFCMHCCKBYLD-JKSUJKDBSA-N 0 3 379.505 0.382 20 0 GCADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000487505547 1196515550 /nfs/dbraw/zinc/51/55/50/1196515550.db2.gz UJDRLLKRSOICSW-HOCLYGCPSA-N 0 3 388.534 0.305 20 0 GCADHN CS(=O)(=O)NCCC(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000523354534 1196516608 /nfs/dbraw/zinc/51/66/08/1196516608.db2.gz DOELSAXQHHLEQC-CQSZACIVSA-N 0 3 382.486 0.262 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523348559 1196517406 /nfs/dbraw/zinc/51/74/06/1196517406.db2.gz TYHIPAHLTZRHKG-QGZVFWFLSA-N 0 3 380.514 0.788 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523348558 1196517630 /nfs/dbraw/zinc/51/76/30/1196517630.db2.gz TYHIPAHLTZRHKG-KRWDZBQOSA-N 0 3 380.514 0.788 20 0 GCADHN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N(C)CC1(O)CCOCC1 ZINC000444755834 1196519721 /nfs/dbraw/zinc/51/97/21/1196519721.db2.gz ZEHDSTOYEWCWDW-CYBMUJFWSA-N 0 3 393.440 0.968 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N(C)CC1(O)CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000444756936 1196519780 /nfs/dbraw/zinc/51/97/80/1196519780.db2.gz SIRFQIJUYOOSIP-KBPBESRZSA-N 0 3 399.513 0.373 20 0 GCADHN CCOC(=O)c1nnc(C2CC[NH+](CCC(=O)N(C)CC(=O)OC)CC2)[n-]1 ZINC000444817275 1196524926 /nfs/dbraw/zinc/52/49/26/1196524926.db2.gz PYHREZRSTCAHTH-UHFFFAOYSA-N 0 3 381.433 0.182 20 0 GCADHN CCOC(=O)c1n[n-]c(C2CC[NH+](CCC(=O)N(C)CC(=O)OC)CC2)n1 ZINC000444817275 1196524931 /nfs/dbraw/zinc/52/49/31/1196524931.db2.gz PYHREZRSTCAHTH-UHFFFAOYSA-N 0 3 381.433 0.182 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cnn(C)c2C(F)(F)F)CC1 ZINC000445040143 1196538430 /nfs/dbraw/zinc/53/84/30/1196538430.db2.gz CYOMZJZNRUABKQ-UHFFFAOYSA-N 0 3 376.383 0.131 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2OC)CC1 ZINC000445052486 1196541026 /nfs/dbraw/zinc/54/10/26/1196541026.db2.gz YVDCQMGVVKDGRA-UHFFFAOYSA-N 0 3 392.456 0.174 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000523664604 1196544963 /nfs/dbraw/zinc/54/49/63/1196544963.db2.gz BDGKCCIGYFPUKQ-CQSZACIVSA-N 0 3 385.534 0.268 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000445090875 1196546958 /nfs/dbraw/zinc/54/69/58/1196546958.db2.gz JXOZDJRABXSIHT-LLVKDONJSA-N 0 3 391.394 0.947 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)CN1CCN(C)CC1 ZINC000523697314 1196550222 /nfs/dbraw/zinc/55/02/22/1196550222.db2.gz JKEXFKNJHVVPEQ-HNNXBMFYSA-N 0 3 387.484 0.458 20 0 GCADHN Cc1ncc2c(n1)CC[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C2 ZINC000523917651 1196566215 /nfs/dbraw/zinc/56/62/15/1196566215.db2.gz WYSDOYGTJNUDGI-WMZOPIPTSA-N 0 3 388.516 0.884 20 0 GCADHN CNC(=O)c1ccc(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000523918360 1196566238 /nfs/dbraw/zinc/56/62/38/1196566238.db2.gz HYJHRXCCXSPSOG-QGZVFWFLSA-N 0 3 389.500 0.788 20 0 GCADHN COc1ccccc1[C@H](CO)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000523917604 1196566326 /nfs/dbraw/zinc/56/63/26/1196566326.db2.gz ZUEWCVZYCZXJTE-IRXDYDNUSA-N 0 3 392.500 0.971 20 0 GCADHN COc1ccccc1[C@@H](CO)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000523917605 1196566785 /nfs/dbraw/zinc/56/67/85/1196566785.db2.gz ZUEWCVZYCZXJTE-SJORKVTESA-N 0 3 392.500 0.971 20 0 GCADHN CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000524035010 1196573370 /nfs/dbraw/zinc/57/33/70/1196573370.db2.gz MDMHLDKKYSANIL-CYBMUJFWSA-N 0 3 393.463 0.722 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000546591790 1196582502 /nfs/dbraw/zinc/58/25/02/1196582502.db2.gz ZKIMCILWIMIMIJ-GOSISDBHSA-N 0 3 396.513 0.337 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000524290198 1196585514 /nfs/dbraw/zinc/58/55/14/1196585514.db2.gz RVRMCUGAUISLET-UHFFFAOYSA-N 0 3 382.530 0.693 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)NCCc2ncn(C)n2)CC1 ZINC000445707370 1196587524 /nfs/dbraw/zinc/58/75/24/1196587524.db2.gz NWVWPHAHYFDORZ-UHFFFAOYSA-N 0 3 385.516 0.995 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000445763040 1196590519 /nfs/dbraw/zinc/59/05/19/1196590519.db2.gz BZUYYIFGUXKORP-HOCLYGCPSA-N 0 3 391.497 0.478 20 0 GCADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000445763773 1196590539 /nfs/dbraw/zinc/59/05/39/1196590539.db2.gz GKFRLBRUHIPEHU-BYCMXARLSA-N 0 3 394.497 0.245 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000445763039 1196590660 /nfs/dbraw/zinc/59/06/60/1196590660.db2.gz BZUYYIFGUXKORP-GOEBONIOSA-N 0 3 391.497 0.478 20 0 GCADHN CCOC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000524408967 1196592855 /nfs/dbraw/zinc/59/28/55/1196592855.db2.gz MNLPBLVJLOHNMF-HNNXBMFYSA-N 0 3 397.497 0.729 20 0 GCADHN C[C@@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)CN1CCN(C)CC1 ZINC000524416896 1196593525 /nfs/dbraw/zinc/59/35/25/1196593525.db2.gz PPKSKPHONRASPY-HNNXBMFYSA-N 0 3 383.496 0.956 20 0 GCADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000524467916 1196598172 /nfs/dbraw/zinc/59/81/72/1196598172.db2.gz YOEBFRHVJKIAHI-IAGOWNOFSA-N 0 3 377.533 0.951 20 0 GCADHN CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000897344899 1196606485 /nfs/dbraw/zinc/60/64/85/1196606485.db2.gz RGFIEUPHEJTOBA-FGTMMUONSA-N 0 3 377.485 0.538 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000524602144 1196609136 /nfs/dbraw/zinc/60/91/36/1196609136.db2.gz BRUVVCSJBWLNIG-UHFFFAOYSA-N 0 3 387.484 0.288 20 0 GCADHN CCN1CC[C@H]1CNC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000897346679 1196613229 /nfs/dbraw/zinc/61/32/29/1196613229.db2.gz XUAMHIIYPUVHOC-IBGZPJMESA-N 0 3 387.528 0.131 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)NCCN1CCNC1=O)c1ccccc1 ZINC000897346700 1196613417 /nfs/dbraw/zinc/61/34/17/1196613417.db2.gz YPZCGHXECKYYOA-MRXNPFEDSA-N 0 3 375.473 0.327 20 0 GCADHN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NC[C@@H](C)N3CCCC3)cc21 ZINC000524717217 1196618588 /nfs/dbraw/zinc/61/85/88/1196618588.db2.gz HNSMJXVAJJBSOJ-CQSZACIVSA-N 0 3 385.468 0.926 20 0 GCADHN CC(C)Cn1c(-c2ncon2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000909635214 1196626853 /nfs/dbraw/zinc/62/68/53/1196626853.db2.gz NCIPWJZCUNZNDC-AWEZNQCLSA-N 0 3 388.476 0.727 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000446256619 1196629082 /nfs/dbraw/zinc/62/90/82/1196629082.db2.gz BNNFCNVYDSPYJH-YRISNDGFSA-N 0 3 392.544 0.676 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446275125 1196629785 /nfs/dbraw/zinc/62/97/85/1196629785.db2.gz JRELYODKWZANTO-WJCADGGCSA-N 0 3 378.517 0.330 20 0 GCADHN COCCNC(=O)Cn1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000446293947 1196632213 /nfs/dbraw/zinc/63/22/13/1196632213.db2.gz SMPSFZUZFNHJQL-DDUZABMNSA-N 0 3 379.461 0.117 20 0 GCADHN CCN(C1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1)S(C)(=O)=O ZINC000446316577 1196633058 /nfs/dbraw/zinc/63/30/58/1196633058.db2.gz WRKUQFMHEJKKTC-RLFYNMQTSA-N 0 3 387.546 0.791 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000446360283 1196636870 /nfs/dbraw/zinc/63/68/70/1196636870.db2.gz QRCQYSLPKMDBJA-CBGDNZLLSA-N 0 3 392.544 0.579 20 0 GCADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446361923 1196637383 /nfs/dbraw/zinc/63/73/83/1196637383.db2.gz DIJAHUQZTHUMCG-PZTGFMGMSA-N 0 3 392.544 0.674 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000446370783 1196638387 /nfs/dbraw/zinc/63/83/87/1196638387.db2.gz UEQYNNBFMJNGHN-FVJLSDCUSA-N 0 3 386.496 0.967 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000446386841 1196639779 /nfs/dbraw/zinc/63/97/79/1196639779.db2.gz SGJWZZIWNZSBNN-RKVPGOIHSA-N 0 3 381.498 0.614 20 0 GCADHN O=C(NCCNC(=O)c1cccnc1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000524994064 1196643218 /nfs/dbraw/zinc/64/32/18/1196643218.db2.gz LZBWVJCVYOYELA-OAQYLSRUSA-N 0 3 397.479 0.748 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000524990837 1196643599 /nfs/dbraw/zinc/64/35/99/1196643599.db2.gz CPCIAKHKEIRXDX-XLIONFOSSA-N 0 3 376.501 0.643 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000446536653 1196647795 /nfs/dbraw/zinc/64/77/95/1196647795.db2.gz AYLFNJOAICKJPA-UHFFFAOYSA-N 0 3 379.848 0.440 20 0 GCADHN O=S(=O)(NC[C@H]1CCN(C2CC2)C1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000525186051 1196654900 /nfs/dbraw/zinc/65/49/00/1196654900.db2.gz FECCQTTTYXKTCI-CYBMUJFWSA-N 0 3 399.538 0.890 20 0 GCADHN Cc1cc(N2CC[C@@H](NC(=O)NCCCCN3CCN(C)CC3)C2=O)n(C)n1 ZINC000525249255 1196659334 /nfs/dbraw/zinc/65/93/34/1196659334.db2.gz MNMUOFIPYGKFAF-MRXNPFEDSA-N 0 3 391.520 0.161 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)NCCCCN3CCN(C)CC3)C2=O)n(C)n1 ZINC000525249244 1196659656 /nfs/dbraw/zinc/65/96/56/1196659656.db2.gz MNMUOFIPYGKFAF-INIZCTEOSA-N 0 3 391.520 0.161 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000525295237 1196665063 /nfs/dbraw/zinc/66/50/63/1196665063.db2.gz IZOPZELQQFPGMX-MRXNPFEDSA-N 0 3 391.516 0.954 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000525295236 1196665309 /nfs/dbraw/zinc/66/53/09/1196665309.db2.gz IZOPZELQQFPGMX-INIZCTEOSA-N 0 3 391.516 0.954 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000525277539 1196666463 /nfs/dbraw/zinc/66/64/63/1196666463.db2.gz RYCQOOZBRNAKPW-FQEVSTJZSA-N 0 3 388.468 0.824 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](O)COc2ccccc2)CC1 ZINC000525305532 1196667019 /nfs/dbraw/zinc/66/70/19/1196667019.db2.gz LFZTYUVNJWOIMD-QZTJIDSGSA-N 0 3 378.517 0.999 20 0 GCADHN COCC(=O)N1CCC(NC(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000475645776 1196675915 /nfs/dbraw/zinc/67/59/15/1196675915.db2.gz OSZZCWVGJFUFSL-UHFFFAOYSA-N 0 3 384.521 0.812 20 0 GCADHN CCN1CC[C@H](N(C)S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@H]1C ZINC000525387119 1196676663 /nfs/dbraw/zinc/67/66/63/1196676663.db2.gz XTPNKAAWVLSCAC-NEPJUHHUSA-N 0 3 395.485 0.527 20 0 GCADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCCN1C(N)=O ZINC001719903804 1196680312 /nfs/dbraw/zinc/68/03/12/1196680312.db2.gz HWVCRPGBXPJGJL-WCVJEAGWSA-N 0 3 379.505 0.508 20 0 GCADHN COc1ccc(CN(C(=O)C[C@H]2CNCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000429695820 1196693208 /nfs/dbraw/zinc/69/32/08/1196693208.db2.gz ISUWYZAKFHNCID-RDJZCZTQSA-N 0 3 382.482 0.589 20 0 GCADHN COc1ccc(CN(C(=O)C[C@@H]2CNCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000429695817 1196693263 /nfs/dbraw/zinc/69/32/63/1196693263.db2.gz ISUWYZAKFHNCID-DOTOQJQBSA-N 0 3 382.482 0.589 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)NCc1ccc2c(c1)OCO2 ZINC000429701373 1196693936 /nfs/dbraw/zinc/69/39/36/1196693936.db2.gz KPJBXQWBGVWSOR-UONOGXRCSA-N 0 3 383.470 0.482 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000525704391 1196702114 /nfs/dbraw/zinc/70/21/14/1196702114.db2.gz PIOURRRXRDTHAA-HUUCEWRRSA-N 0 3 385.468 0.947 20 0 GCADHN CCN1CCN(CCC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC1 ZINC000525692003 1196702847 /nfs/dbraw/zinc/70/28/47/1196702847.db2.gz CLTYGOPTLCRHRM-LJQANCHMSA-N 0 3 393.576 0.559 20 0 GCADHN C[C@H]1CN(CC(C)(C)O)CCN1Cc1nnnn1CCOCC(F)(F)F ZINC000447270543 1196704336 /nfs/dbraw/zinc/70/43/36/1196704336.db2.gz IICDWDYYAXXVGS-LBPRGKRZSA-N 0 3 380.415 0.529 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1F ZINC000447265870 1196704399 /nfs/dbraw/zinc/70/43/99/1196704399.db2.gz TUKUIKFILVYOGC-UHFFFAOYSA-N 0 3 382.436 0.535 20 0 GCADHN FC(F)(F)COCCn1nnnc1CN1CCN(C2CCOCC2)CC1 ZINC000447308683 1196706640 /nfs/dbraw/zinc/70/66/40/1196706640.db2.gz HBSOVCDIOZQVLC-UHFFFAOYSA-N 0 3 378.399 0.549 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000428479114 1196709769 /nfs/dbraw/zinc/70/97/69/1196709769.db2.gz XZHJBLGHWKGCII-QGZVFWFLSA-N 0 3 397.545 0.783 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(Cc2cnn(C)c2)CC1)CN1CCN(C)CC1 ZINC000525818486 1196712912 /nfs/dbraw/zinc/71/29/12/1196712912.db2.gz MVOXHLOSFKTEIY-KRWDZBQOSA-N 0 3 377.537 0.131 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000525883937 1196720735 /nfs/dbraw/zinc/72/07/35/1196720735.db2.gz WNLMWSFKXZZZPH-UHFFFAOYSA-N 0 3 394.497 0.620 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000525884861 1196721273 /nfs/dbraw/zinc/72/12/73/1196721273.db2.gz AWTUTWBEJXDVQP-UHFFFAOYSA-N 0 3 383.452 0.835 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000525885190 1196721368 /nfs/dbraw/zinc/72/13/68/1196721368.db2.gz WPOSKPBFQNEZTQ-HOCLYGCPSA-N 0 3 388.468 0.965 20 0 GCADHN CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000525903256 1196722807 /nfs/dbraw/zinc/72/28/07/1196722807.db2.gz PSHASSCXOPBJLM-HNNXBMFYSA-N 0 3 376.457 0.822 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000447555716 1196731213 /nfs/dbraw/zinc/73/12/13/1196731213.db2.gz CVDZAVMAEMQSJB-FQEVSTJZSA-N 0 3 391.512 0.974 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)NC(=O)NCc1ccccc1 ZINC000429720459 1196736177 /nfs/dbraw/zinc/73/61/77/1196736177.db2.gz QDVMGUYAODJCJY-GJZGRUSLSA-N 0 3 382.486 0.462 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C(=O)OC)cc2F)CC1 ZINC000526042797 1196736699 /nfs/dbraw/zinc/73/66/99/1196736699.db2.gz NUZKJFHEDKSVKS-ZDUSSCGKSA-N 0 3 387.477 0.917 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(C(=O)OC)cc2F)CC1 ZINC000526042796 1196736825 /nfs/dbraw/zinc/73/68/25/1196736825.db2.gz NUZKJFHEDKSVKS-CYBMUJFWSA-N 0 3 387.477 0.917 20 0 GCADHN CCN(C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000526110491 1196741904 /nfs/dbraw/zinc/74/19/04/1196741904.db2.gz LQYXFYNHTUDYTB-AWEZNQCLSA-N 0 3 397.497 0.731 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000526854402 1196748217 /nfs/dbraw/zinc/74/82/17/1196748217.db2.gz IIJUSCVQKIPOCV-ZFWWWQNUSA-N 0 3 379.457 0.694 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CC1=O ZINC000526946284 1196750357 /nfs/dbraw/zinc/75/03/57/1196750357.db2.gz RKFXHGYRVHLOBF-DOTOQJQBSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H](O)C[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000447829555 1196752316 /nfs/dbraw/zinc/75/23/16/1196752316.db2.gz GVXNRQIZXNBONZ-IAGOWNOFSA-N 0 3 382.549 0.671 20 0 GCADHN C[C@@H]1OCC[C@@]12CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H](C)O2 ZINC000447834585 1196752948 /nfs/dbraw/zinc/75/29/48/1196752948.db2.gz RDGDEDCRNPJYPA-QWQRMKEZSA-N 0 3 397.497 0.931 20 0 GCADHN O=C(CN[C@H](CO)[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000447909994 1196756638 /nfs/dbraw/zinc/75/66/38/1196756638.db2.gz DZHVYIDSUIBFPT-QUCCMNQESA-N 0 3 389.496 0.395 20 0 GCADHN O=C(CN[C@@H](CO)[C@@H]1CCCO1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000447920015 1196758780 /nfs/dbraw/zinc/75/87/80/1196758780.db2.gz WOKXTCQCRKTVSM-IRXDYDNUSA-N 0 3 376.457 0.492 20 0 GCADHN C[C@H](N[C@H](CO)[C@@H]1CCCO1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000447900875 1196759766 /nfs/dbraw/zinc/75/97/66/1196759766.db2.gz FHCRRHDTJFJIEG-DBVUQKKJSA-N 0 3 391.512 0.653 20 0 GCADHN C[C@@H]1OCC[C@@]12CN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C[C@@H](C)O2 ZINC000447965893 1196762512 /nfs/dbraw/zinc/76/25/12/1196762512.db2.gz UZKOQEFTMJQZNN-AXVVYFOYSA-N 0 3 396.532 0.907 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC2(CCOCC2)O1 ZINC000447960976 1196763495 /nfs/dbraw/zinc/76/34/95/1196763495.db2.gz DVCBINANEMCYQF-IAGOWNOFSA-N 0 3 396.532 0.909 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC2(CCOCC2)O1 ZINC000447960978 1196763541 /nfs/dbraw/zinc/76/35/41/1196763541.db2.gz DVCBINANEMCYQF-SJORKVTESA-N 0 3 396.532 0.909 20 0 GCADHN C[C@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC2(CCOCC2)O1 ZINC000447960975 1196763589 /nfs/dbraw/zinc/76/35/89/1196763589.db2.gz DVCBINANEMCYQF-DLBZAZTESA-N 0 3 396.532 0.909 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)c2ccccc2O1 ZINC000527125270 1196767366 /nfs/dbraw/zinc/76/73/66/1196767366.db2.gz CIFSSLWYKYZSMI-INIZCTEOSA-N 0 3 375.425 0.508 20 0 GCADHN Cc1c([C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCCC3)C[C@H]2C(N)=O)cnn1C ZINC000624788578 1196768321 /nfs/dbraw/zinc/76/83/21/1196768321.db2.gz WHCKSCLJMYBXQB-RYQLBKOJSA-N 0 3 388.516 0.956 20 0 GCADHN CN1CC[C@](O)(CNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000527289181 1196777549 /nfs/dbraw/zinc/77/75/49/1196777549.db2.gz LSNBDDGHWACZIK-APWZRJJASA-N 0 3 396.438 0.822 20 0 GCADHN C[C@H]1OCC[C@@]12CN(C(=O)NCCCCN1CCN(CCO)CC1)C[C@@H](C)O2 ZINC000448147918 1196777828 /nfs/dbraw/zinc/77/78/28/1196777828.db2.gz ONXQJXUUDXYDNT-QWFCFKBJSA-N 0 3 398.548 0.354 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000448322023 1196792263 /nfs/dbraw/zinc/79/22/63/1196792263.db2.gz PNBRLKQXSSWLLV-MRXNPFEDSA-N 0 3 384.484 1.502 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448323941 1196792923 /nfs/dbraw/zinc/79/29/23/1196792923.db2.gz ZVRXAUMKLOJZOG-LBPRGKRZSA-N 0 3 378.477 0.726 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000527894003 1196822748 /nfs/dbraw/zinc/82/27/48/1196822748.db2.gz OWSLDGDHUNRWIZ-MRXNPFEDSA-N 0 3 381.521 0.487 20 0 GCADHN COCCN1CCC(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000528207205 1196840334 /nfs/dbraw/zinc/84/03/34/1196840334.db2.gz SQGMGSASTKCGNL-UHFFFAOYSA-N 0 3 375.469 1.000 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cc(C(F)(F)F)nn2C)CC1 ZINC000528333958 1196850221 /nfs/dbraw/zinc/85/02/21/1196850221.db2.gz LBTCJYZGYTYZKO-GFCCVEGCSA-N 0 3 397.467 0.991 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)CN3C[C@@H](CO)[C@H](CO)C3)CC2)cc1 ZINC000528606308 1196871963 /nfs/dbraw/zinc/87/19/63/1196871963.db2.gz UXWWJQHYXOMYOR-OALUTQOASA-N 0 3 391.512 0.262 20 0 GCADHN CCN1CCN(C(=O)Cc2ccc(NC(=O)NC[C@@H]3COCCN3)cc2)CC1 ZINC000528682484 1196877474 /nfs/dbraw/zinc/87/74/74/1196877474.db2.gz QQCLTOBGNPVITE-GOSISDBHSA-N 0 3 389.500 0.503 20 0 GCADHN NC(=O)c1ncn(C2CCN(C(=O)Nc3ccc4c(c3)OCCNC4)CC2)c1N ZINC000528702529 1196879506 /nfs/dbraw/zinc/87/95/06/1196879506.db2.gz FVUIKRORWMFCOU-UHFFFAOYSA-N 0 3 399.455 0.915 20 0 GCADHN CCOC(=O)c1cccc(OC[C@H](O)CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1 ZINC000282024077 1196880444 /nfs/dbraw/zinc/88/04/44/1196880444.db2.gz KKZXJVQCIPETKK-LZLYRXPVSA-N 0 3 380.485 0.990 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528717036 1196881216 /nfs/dbraw/zinc/88/12/16/1196881216.db2.gz XULVNXCOZGMMAX-CQSZACIVSA-N 0 3 387.484 0.985 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000528735212 1196885346 /nfs/dbraw/zinc/88/53/46/1196885346.db2.gz RBLFQEJCCDKMEG-UHFFFAOYSA-N 0 3 382.411 0.964 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cn3ccnn3)cc2)CC1 ZINC000528843392 1196890982 /nfs/dbraw/zinc/89/09/82/1196890982.db2.gz GWBQMYDBLFMRSI-GOSISDBHSA-N 0 3 382.468 0.705 20 0 GCADHN CC(C)[C@@H]1CNCCN1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000529294830 1196911090 /nfs/dbraw/zinc/91/10/90/1196911090.db2.gz WNOZUHRVKLNHNT-KRWDZBQOSA-N 0 3 375.521 0.628 20 0 GCADHN Cc1c(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)nnn1-c1cnn(C)c1 ZINC000450122020 1196913081 /nfs/dbraw/zinc/91/30/81/1196913081.db2.gz MEMLBDREQYJMDH-KBPBESRZSA-N 0 3 375.477 0.928 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529349262 1196916904 /nfs/dbraw/zinc/91/69/04/1196916904.db2.gz OWBUKTUSHMFKTH-GOSISDBHSA-N 0 3 375.469 0.736 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN[C@@H](C(C)C)C2)cc1 ZINC000648121375 1196937920 /nfs/dbraw/zinc/93/79/20/1196937920.db2.gz HNVUZVDXAVVPHF-CXAGYDPISA-N 0 3 396.513 0.768 20 0 GCADHN CN(Cc1cc(CN(C)[C@]2(CO)CCOC2)ccc1F)[C@@]1(CO)CCOC1 ZINC000450706875 1196949088 /nfs/dbraw/zinc/94/90/88/1196949088.db2.gz GSBMGGNHCOPOPG-VQTJNVASSA-N 0 3 382.476 0.992 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000529918629 1196952510 /nfs/dbraw/zinc/95/25/10/1196952510.db2.gz TUGZYXFWXGVRJQ-UHFFFAOYSA-N 0 3 394.516 0.219 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCc3cc(F)c(F)c(F)c32)n1 ZINC000450832885 1196956479 /nfs/dbraw/zinc/95/64/79/1196956479.db2.gz JERMZDWSDAHZCY-NSHDSACASA-N 0 3 382.390 0.879 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 ZINC000450866231 1196958095 /nfs/dbraw/zinc/95/80/95/1196958095.db2.gz WPWUCVLWWONWQP-KGLIPLIRSA-N 0 3 399.499 0.140 20 0 GCADHN CC[C@@H](C)N1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000450855450 1196958566 /nfs/dbraw/zinc/95/85/66/1196958566.db2.gz GIIHICCFBQWTBS-MRXNPFEDSA-N 0 3 381.546 0.938 20 0 GCADHN OC[C@H]1CC[C@H](CO)N1Cc1cc(Cl)cc(CN2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000451005709 1196965378 /nfs/dbraw/zinc/96/53/78/1196965378.db2.gz SVQMWYKWFPNGFJ-UAFMIMERSA-N 0 3 398.931 0.975 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cccnc1C(=O)OC ZINC000451147752 1196975675 /nfs/dbraw/zinc/97/56/75/1196975675.db2.gz SDYICWWATVCMNK-OAHLLOKOSA-N 0 3 398.529 0.905 20 0 GCADHN CCn1c(N)c(C(=O)CN(C)C2CCN(Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000121624360 1196976634 /nfs/dbraw/zinc/97/66/34/1196976634.db2.gz RGNJAZRAWLRYBH-UHFFFAOYSA-N 0 3 399.495 0.918 20 0 GCADHN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000530431040 1196987173 /nfs/dbraw/zinc/98/71/73/1196987173.db2.gz MYKZZAWYHFVTEF-BRWVUGGUSA-N 0 3 387.546 0.758 20 0 GCADHN O=C(CN1CCCC1)N1CC[C@@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001059678767 1196987569 /nfs/dbraw/zinc/98/75/69/1196987569.db2.gz ZTLBLRHKGDOCGN-VUHPKUFZSA-N 0 3 379.501 0.489 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CC[C@](COC)(C(=O)OC)C2)C1 ZINC000451336967 1196989097 /nfs/dbraw/zinc/98/90/97/1196989097.db2.gz QETATHHBDVIOOU-CLCXKQKWSA-N 0 3 384.473 0.688 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CC[C@@](COC)(C(=O)OC)C2)C1 ZINC000451336970 1196989213 /nfs/dbraw/zinc/98/92/13/1196989213.db2.gz QETATHHBDVIOOU-SPYBWZPUSA-N 0 3 384.473 0.688 20 0 GCADHN CCO[C@@H]1C[C@H](NCC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C12CCC2 ZINC000451477568 1196993906 /nfs/dbraw/zinc/99/39/06/1196993906.db2.gz XIOLDDBBJZEHOM-OWCLPIDISA-N 0 3 388.530 0.586 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)c(F)c1 ZINC000530533239 1196994608 /nfs/dbraw/zinc/99/46/08/1196994608.db2.gz VOEBGZUZAOKKKQ-AWEZNQCLSA-N 0 3 388.461 0.983 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1-n1nnnc1C ZINC000530567632 1196996643 /nfs/dbraw/zinc/99/66/43/1196996643.db2.gz WHNAMODYLVKKCH-LBPRGKRZSA-N 0 3 387.444 0.376 20 0 GCADHN Cc1c(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000530567140 1196996755 /nfs/dbraw/zinc/99/67/55/1196996755.db2.gz BKBKDASZHRYVKH-AWEZNQCLSA-N 0 3 385.468 0.881 20 0 GCADHN Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000530567971 1196996791 /nfs/dbraw/zinc/99/67/91/1196996791.db2.gz FXYFUAWXCHWBGC-CYBMUJFWSA-N 0 3 381.498 0.936 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000530566963 1196996862 /nfs/dbraw/zinc/99/68/62/1196996862.db2.gz OQZXQOWLIIKIOD-QGZVFWFLSA-N 0 3 388.512 0.958 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1=O ZINC000530565980 1196996864 /nfs/dbraw/zinc/99/68/64/1196996864.db2.gz LVPHCWWLUQHDIT-CYBMUJFWSA-N 0 3 394.497 0.476 20 0 GCADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000530585238 1196998096 /nfs/dbraw/zinc/99/80/96/1196998096.db2.gz KZNXAFHIEPEYLU-AWEZNQCLSA-N 0 3 397.497 0.694 20 0 GCADHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000451593968 1197000107 /nfs/dbraw/zinc/00/01/07/1197000107.db2.gz ULSFZSNXDSXBLG-CABCVRRESA-N 0 3 383.470 0.984 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000530640651 1197003165 /nfs/dbraw/zinc/00/31/65/1197003165.db2.gz MXMXZMHXSJOJEE-XOBRGWDASA-N 0 3 387.484 0.497 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000530680967 1197008728 /nfs/dbraw/zinc/00/87/28/1197008728.db2.gz GADUPWUCNJBITI-CQSZACIVSA-N 0 3 376.457 0.821 20 0 GCADHN COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CCO1 ZINC000530737011 1197013915 /nfs/dbraw/zinc/01/39/15/1197013915.db2.gz ZXLUQOSEMZVTJF-AWEZNQCLSA-N 0 3 393.440 0.486 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC(=O)Nc1cccnc1 ZINC000530767491 1197015018 /nfs/dbraw/zinc/01/50/18/1197015018.db2.gz CIXNNZCVEHMOOE-HNNXBMFYSA-N 0 3 376.461 0.262 20 0 GCADHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000451774960 1197015203 /nfs/dbraw/zinc/01/52/03/1197015203.db2.gz PJZLXHOBLNAWMB-GLQYFDAESA-N 0 3 383.470 0.982 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000451802658 1197015824 /nfs/dbraw/zinc/01/58/24/1197015824.db2.gz ORTIKQPBYJSLIE-MRXNPFEDSA-N 0 3 382.549 0.528 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1=O ZINC000530813761 1197018545 /nfs/dbraw/zinc/01/85/45/1197018545.db2.gz DOXUTCYCTHOQEF-CQSZACIVSA-N 0 3 387.440 0.087 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000122256156 1197020347 /nfs/dbraw/zinc/02/03/47/1197020347.db2.gz LSIICBHFIHVLRV-MRXNPFEDSA-N 0 3 378.521 0.161 20 0 GCADHN O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000530845662 1197022912 /nfs/dbraw/zinc/02/29/12/1197022912.db2.gz WHNLFBCPVLJHTH-MRXNPFEDSA-N 0 3 399.451 0.374 20 0 GCADHN O=C(NCc1nnc2n1CCC2)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000530869257 1197023146 /nfs/dbraw/zinc/02/31/46/1197023146.db2.gz FXDRZZLYHYWKMS-IAGOWNOFSA-N 0 3 384.484 0.907 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)ccc1-n1cnnn1 ZINC000530900856 1197024917 /nfs/dbraw/zinc/02/49/17/1197024917.db2.gz HWAOSPAXWJFYGP-QGZVFWFLSA-N 0 3 389.485 0.463 20 0 GCADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@H]1CCO[C@H](C)C1)C(=O)NCC(N)=O ZINC001168133971 1197029538 /nfs/dbraw/zinc/02/95/38/1197029538.db2.gz YEWJZNCMUAVGOT-UGUYLWEFSA-N 0 3 382.505 0.151 20 0 GCADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@@H]1CCO[C@@H](C)C1)C(=O)NCC(N)=O ZINC001168133970 1197029709 /nfs/dbraw/zinc/02/97/09/1197029709.db2.gz YEWJZNCMUAVGOT-FZKCQIBNSA-N 0 3 382.505 0.151 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CN1C1CC1 ZINC000531006449 1197036081 /nfs/dbraw/zinc/03/60/81/1197036081.db2.gz JKSWKFMPFNSVFC-HUUCEWRRSA-N 0 3 393.513 0.723 20 0 GCADHN C[C@@H](CNC(=O)N[C@H]1CCN(c2ncccc2F)C1)CN1CCN(C)CC1 ZINC000122491422 1197037866 /nfs/dbraw/zinc/03/78/66/1197037866.db2.gz HQAZMLVCCBNIIH-HOTGVXAUSA-N 0 3 378.496 0.982 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)ccc1F ZINC000531045101 1197041906 /nfs/dbraw/zinc/04/19/06/1197041906.db2.gz HOQAVXOGVBDGPX-LLVKDONJSA-N 0 3 375.408 0.506 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000531044224 1197042066 /nfs/dbraw/zinc/04/20/66/1197042066.db2.gz GFYBKHPJIBTSEZ-CQSZACIVSA-N 0 3 386.452 0.732 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1C(=O)OC ZINC000531044655 1197042140 /nfs/dbraw/zinc/04/21/40/1197042140.db2.gz IDMPXOHBYHWQTL-LBPRGKRZSA-N 0 3 391.424 0.656 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000531045075 1197042235 /nfs/dbraw/zinc/04/22/35/1197042235.db2.gz OKCQEXORIWTKRG-OAHLLOKOSA-N 0 3 388.468 0.556 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CCN2CCN(CC)CC2)C1 ZINC000531056314 1197043537 /nfs/dbraw/zinc/04/35/37/1197043537.db2.gz YCJQPJUECHMNDE-KRWDZBQOSA-N 0 3 396.532 0.274 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCN(C)C1=O)C2 ZINC001719905174 1197044056 /nfs/dbraw/zinc/04/40/56/1197044056.db2.gz JMWWODCBSHLEBQ-JJXSEGSLSA-N 0 3 378.517 0.833 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCN(C)C1=O)C2 ZINC001719905173 1197044131 /nfs/dbraw/zinc/04/41/31/1197044131.db2.gz JMWWODCBSHLEBQ-FPCVCCKLSA-N 0 3 378.517 0.833 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000531160239 1197049718 /nfs/dbraw/zinc/04/97/18/1197049718.db2.gz LBZOPJMYSXUJFR-CYBMUJFWSA-N 0 3 382.486 0.845 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC000452344634 1197052708 /nfs/dbraw/zinc/05/27/08/1197052708.db2.gz CYTXFCPEBKQLKP-INIZCTEOSA-N 0 3 383.514 0.950 20 0 GCADHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000452385825 1197055579 /nfs/dbraw/zinc/05/55/79/1197055579.db2.gz DNUIOKZGCYHSCA-ROUUACIJSA-N 0 3 375.469 0.377 20 0 GCADHN Cn1c(C(=O)NC[C@H]2CCCN2CCCO)cc2c1nc1ccccn1c2=O ZINC000452361651 1197056261 /nfs/dbraw/zinc/05/62/61/1197056261.db2.gz KAHSDMUFUIIAFO-CQSZACIVSA-N 0 3 383.452 0.763 20 0 GCADHN CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H]3CCCN(CCCO)C3)ccc21 ZINC000452374778 1197057549 /nfs/dbraw/zinc/05/75/49/1197057549.db2.gz KSUAUPIAUNTUKY-MRXNPFEDSA-N 0 3 381.498 0.585 20 0 GCADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@H]1CCCN(CCCO)C1)C2=O ZINC000452376051 1197057684 /nfs/dbraw/zinc/05/76/84/1197057684.db2.gz NNTNYLQHWOBDGP-SPYBWZPUSA-N 0 3 380.489 0.450 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CCCN(CCCO)C1)C2=O ZINC000452378744 1197058260 /nfs/dbraw/zinc/05/82/60/1197058260.db2.gz XPRUMIOKASVVNZ-NGEICVOHSA-N 0 3 394.516 0.840 20 0 GCADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452378727 1197058406 /nfs/dbraw/zinc/05/84/06/1197058406.db2.gz XOJGCRSRCDCUGM-RDJZCZTQSA-N 0 3 387.488 0.238 20 0 GCADHN COc1ccnc(N2CCC(C(=O)N[C@@H]3CCCN(CCCO)C3)CC2)n1 ZINC000452379257 1197058877 /nfs/dbraw/zinc/05/88/77/1197058877.db2.gz ZGGRIWVWDLKYKJ-MRXNPFEDSA-N 0 3 377.489 0.665 20 0 GCADHN Cc1cc(O)cc(=O)n1CCC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000531241982 1197060101 /nfs/dbraw/zinc/06/01/01/1197060101.db2.gz QYGDSZKYZUTOLX-UHFFFAOYSA-N 0 3 381.473 0.984 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)C1 ZINC000531283208 1197062216 /nfs/dbraw/zinc/06/22/16/1197062216.db2.gz BQIKPAHSLYAOEW-CQSZACIVSA-N 0 3 375.473 0.583 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000531283528 1197062363 /nfs/dbraw/zinc/06/23/63/1197062363.db2.gz QEIKEGOEIYGVPV-CYBMUJFWSA-N 0 3 382.486 0.333 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000531283598 1197062666 /nfs/dbraw/zinc/06/26/66/1197062666.db2.gz XBVQDDDWUFFBPG-OAHLLOKOSA-N 0 3 388.468 0.556 20 0 GCADHN C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000452781823 1197080942 /nfs/dbraw/zinc/08/09/42/1197080942.db2.gz IQSAPBOESCMFTA-UZLBHIALSA-N 0 3 375.469 0.356 20 0 GCADHN O=C(CC1(C(=O)NC[C@H]2CCCN2CCCO)CCCC1)N1CCOCC1 ZINC000452782914 1197081064 /nfs/dbraw/zinc/08/10/64/1197081064.db2.gz KYGWVRKQKAFJFW-QGZVFWFLSA-N 0 3 381.517 0.759 20 0 GCADHN COc1cccc(C[C@H](NC(C)=O)C(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000452789183 1197081389 /nfs/dbraw/zinc/08/13/89/1197081389.db2.gz AKMTYDRLNAYNHU-HKUYNNGSSA-N 0 3 377.485 0.705 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O)N1CCCC1 ZINC000531559364 1197084929 /nfs/dbraw/zinc/08/49/29/1197084929.db2.gz OGVOERXAMPLZIX-CYBMUJFWSA-N 0 3 382.486 0.621 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000531567148 1197084945 /nfs/dbraw/zinc/08/49/45/1197084945.db2.gz BCRCIMXJBSWNFR-IXPVHAAZSA-N 0 3 383.518 0.303 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCCCN3C(=O)CCC3=O)C2)CC1 ZINC000531584695 1197085539 /nfs/dbraw/zinc/08/55/39/1197085539.db2.gz FHGZGSUGLQAXPW-INIZCTEOSA-N 0 3 379.505 0.335 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCS(=O)(=O)CC1 ZINC000531642240 1197089584 /nfs/dbraw/zinc/08/95/84/1197089584.db2.gz IXOTZKFWWUGIEQ-UHFFFAOYSA-N 0 3 383.470 0.342 20 0 GCADHN CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000531644957 1197089600 /nfs/dbraw/zinc/08/96/00/1197089600.db2.gz DLLZGWAINHBWED-OALUTQOASA-N 0 3 379.549 0.214 20 0 GCADHN CNc1nc(NCCc2ccc(C)nc2)nc(NCCc2ccc(C)nc2)n1 ZINC000531823658 1197099662 /nfs/dbraw/zinc/09/96/62/1197099662.db2.gz QZCVDUVUADBFSH-UHFFFAOYSA-N 0 3 378.484 0.895 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCCNC(=O)c3cnccn3)C2)CC1 ZINC000531837967 1197100337 /nfs/dbraw/zinc/10/03/37/1197100337.db2.gz JOPFILLWFWVOBN-INIZCTEOSA-N 0 3 389.504 0.016 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000531841696 1197100351 /nfs/dbraw/zinc/10/03/51/1197100351.db2.gz ADYNBXLMNIIMGJ-UHFFFAOYSA-N 0 3 384.502 0.273 20 0 GCADHN CS(=O)(=O)N1CCN(CC(=O)N(CCN2CCCC2)c2ccccc2)CC1 ZINC000531843099 1197100596 /nfs/dbraw/zinc/10/05/96/1197100596.db2.gz KJTOMYBJANPJOP-UHFFFAOYSA-N 0 3 394.541 0.693 20 0 GCADHN CC1CCC(N2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000531842916 1197100760 /nfs/dbraw/zinc/10/07/60/1197100760.db2.gz FTKISWSWVAIKET-UHFFFAOYSA-N 0 3 386.562 0.287 20 0 GCADHN COc1ncc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1C(N)=O ZINC000531893640 1197103061 /nfs/dbraw/zinc/10/30/61/1197103061.db2.gz GJBHXZCBCOTUAA-UHFFFAOYSA-N 0 3 377.445 0.460 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000531954578 1197105144 /nfs/dbraw/zinc/10/51/44/1197105144.db2.gz GHOFGSDOZUOHOV-OAHLLOKOSA-N 0 3 385.424 0.341 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c1C ZINC000531978419 1197105608 /nfs/dbraw/zinc/10/56/08/1197105608.db2.gz GHWPCJQOUYZBRX-LBPRGKRZSA-N 0 3 382.486 0.300 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 ZINC000531987330 1197105847 /nfs/dbraw/zinc/10/58/47/1197105847.db2.gz YCFYAUPMYZPOPT-SJORKVTESA-N 0 3 387.484 0.551 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)c1C ZINC000531983846 1197106152 /nfs/dbraw/zinc/10/61/52/1197106152.db2.gz BJVOKJPNJQCDKX-GFCCVEGCSA-N 0 3 382.486 0.442 20 0 GCADHN CCc1cccc2c1N(C(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CC2 ZINC000531994814 1197106791 /nfs/dbraw/zinc/10/67/91/1197106791.db2.gz QTDPNHKSFXRVOM-GOSISDBHSA-N 0 3 398.507 0.903 20 0 GCADHN CN1CCN(CCCCNC(=O)NCc2ccc3c(c2)CCS3(=O)=O)CC1 ZINC000532060652 1197110451 /nfs/dbraw/zinc/11/04/51/1197110451.db2.gz LBZXBBSWXYOZTI-UHFFFAOYSA-N 0 3 394.541 0.843 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCc2ccc3c(c2)CCS3(=O)=O)CC1=O ZINC000532078825 1197112109 /nfs/dbraw/zinc/11/21/09/1197112109.db2.gz PMZHGWILGOLRCI-HNNXBMFYSA-N 0 3 379.482 0.043 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000453611810 1197114058 /nfs/dbraw/zinc/11/40/58/1197114058.db2.gz RYMYSEOAIUKTBT-STQMWFEESA-N 0 3 376.457 0.969 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000453614950 1197114187 /nfs/dbraw/zinc/11/41/87/1197114187.db2.gz QIYAAOQGECJKFY-CHWSQXEVSA-N 0 3 376.457 0.969 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC ZINC000453641428 1197115727 /nfs/dbraw/zinc/11/57/27/1197115727.db2.gz IFLXYFNHWJIVHE-CYBMUJFWSA-N 0 3 398.485 0.606 20 0 GCADHN CC(C)c1ncsc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000453667902 1197119010 /nfs/dbraw/zinc/11/90/10/1197119010.db2.gz HWLLHWYUHJQAMQ-CYBMUJFWSA-N 0 3 393.513 0.970 20 0 GCADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000532170868 1197123284 /nfs/dbraw/zinc/12/32/84/1197123284.db2.gz KQHOHOMRAZTKMN-BBWFWOEESA-N 0 3 381.521 0.269 20 0 GCADHN Cc1c(NC(=O)C(=O)N(C)CCN(C)C2CC2)cccc1S(=O)(=O)N(C)C ZINC000453763578 1197128841 /nfs/dbraw/zinc/12/88/41/1197128841.db2.gz VHLNNQYXRADYMB-UHFFFAOYSA-N 0 3 396.513 0.736 20 0 GCADHN COC(=O)COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000532230890 1197128908 /nfs/dbraw/zinc/12/89/08/1197128908.db2.gz WXCBYLABCYQWSP-KRWDZBQOSA-N 0 3 389.452 0.617 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]3C2)O1 ZINC000986131340 1197133330 /nfs/dbraw/zinc/13/33/30/1197133330.db2.gz PUAHSHYMAYVBHI-ZJPYXAASSA-N 0 3 378.517 0.108 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCOC[C@@H](O)C3)c2)CC1 ZINC000453822708 1197137165 /nfs/dbraw/zinc/13/71/65/1197137165.db2.gz NGZKVJDNAZCLDT-SFHVURJKSA-N 0 3 390.484 0.375 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)nn1-c1ccccc1 ZINC000453802046 1197137306 /nfs/dbraw/zinc/13/73/06/1197137306.db2.gz AZKDPJAEZSSCPL-QGZVFWFLSA-N 0 3 385.468 1.082 20 0 GCADHN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453802102 1197137506 /nfs/dbraw/zinc/13/75/06/1197137506.db2.gz BXMUPLIAHSQUIH-CYBMUJFWSA-N 0 3 393.440 0.383 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)nn1-c1ccccc1 ZINC000453801645 1197137726 /nfs/dbraw/zinc/13/77/26/1197137726.db2.gz AZKDPJAEZSSCPL-KRWDZBQOSA-N 0 3 385.468 1.082 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000453806459 1197138817 /nfs/dbraw/zinc/13/88/17/1197138817.db2.gz NFSUHYVHCFPCRH-QGZVFWFLSA-N 0 3 388.468 0.715 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cc(OC)c1C ZINC000453805434 1197138857 /nfs/dbraw/zinc/13/88/57/1197138857.db2.gz LELONLJGMZLAOQ-HNNXBMFYSA-N 0 3 379.457 0.914 20 0 GCADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453809229 1197139661 /nfs/dbraw/zinc/13/96/61/1197139661.db2.gz UKBWRHNTCSMHRV-AWEZNQCLSA-N 0 3 377.441 0.683 20 0 GCADHN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453808175 1197139787 /nfs/dbraw/zinc/13/97/87/1197139787.db2.gz QQCGNLWEBMWSNZ-OAHLLOKOSA-N 0 3 379.505 0.910 20 0 GCADHN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453915317 1197152103 /nfs/dbraw/zinc/15/21/03/1197152103.db2.gz JOKWARFSRITETQ-GOEBONIOSA-N 0 3 388.468 0.888 20 0 GCADHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453916091 1197153555 /nfs/dbraw/zinc/15/35/55/1197153555.db2.gz KMWBKFRFMLENRY-SMDDNHRTSA-N 0 3 391.424 0.591 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1(C)C ZINC000262825350 1197168933 /nfs/dbraw/zinc/16/89/33/1197168933.db2.gz ZPVSAYYKJGWJNP-OXQOHEQNSA-N 0 3 380.533 0.676 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000173097942 1197174290 /nfs/dbraw/zinc/17/42/90/1197174290.db2.gz ITASDLQPQRZSIN-AWEZNQCLSA-N 0 3 385.534 0.552 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1F ZINC000173236018 1197176317 /nfs/dbraw/zinc/17/63/17/1197176317.db2.gz FLRSCCUEQLFZOJ-KGLIPLIRSA-N 0 3 387.419 0.743 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)n1 ZINC000173414235 1197176794 /nfs/dbraw/zinc/17/67/94/1197176794.db2.gz OVYHHWIPAFIJKW-CQSZACIVSA-N 0 3 380.518 0.295 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1Cl ZINC000453921868 1197177337 /nfs/dbraw/zinc/17/73/37/1197177337.db2.gz UAGMZDZMISHQFQ-SMDDNHRTSA-N 0 3 395.843 0.993 20 0 GCADHN C[C@@H](CNC(=O)NCCc1nnc2n1CCCCC2)CN1CCN(C)CC1 ZINC000173631081 1197177706 /nfs/dbraw/zinc/17/77/06/1197177706.db2.gz WJKGPDJSCUNTLF-INIZCTEOSA-N 0 3 377.537 0.730 20 0 GCADHN CCN1CCN(c2ccc(C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000173651109 1197177908 /nfs/dbraw/zinc/17/79/08/1197177908.db2.gz CYPKVSDUXQVEPC-INIZCTEOSA-N 0 3 380.514 0.592 20 0 GCADHN CC(C)[C@H](CNC(=O)N1CCC[C@H]1CN1CCOCC1)N1CCN(C)CC1 ZINC000173684143 1197178396 /nfs/dbraw/zinc/17/83/96/1197178396.db2.gz CDTKJOJPZZYIPO-OALUTQOASA-N 0 3 381.565 0.765 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000666072485 1197184484 /nfs/dbraw/zinc/18/44/84/1197184484.db2.gz ZFFDKSYVQZYSPN-UHFFFAOYSA-N 0 3 399.517 0.932 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177165428 1197188426 /nfs/dbraw/zinc/18/84/26/1197188426.db2.gz SETZYLOPIJLODD-DZGCQCFKSA-N 0 3 389.500 0.589 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177165428 1197188428 /nfs/dbraw/zinc/18/84/28/1197188428.db2.gz SETZYLOPIJLODD-DZGCQCFKSA-N 0 3 389.500 0.589 20 0 GCADHN COc1ccc(N2C[C@@H](NC(=O)N[C@H]3CCCN(CCCO)C3)CC2=O)cc1 ZINC000666090836 1197190391 /nfs/dbraw/zinc/19/03/91/1197190391.db2.gz OZFKGGHTAWQCCW-HOTGVXAUSA-N 0 3 390.484 0.947 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000178066742 1197192918 /nfs/dbraw/zinc/19/29/18/1197192918.db2.gz OTYGDXSLTIXDFE-WBVHZDCISA-N 0 3 399.499 0.513 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cn1 ZINC000428530182 1197193910 /nfs/dbraw/zinc/19/39/10/1197193910.db2.gz APOUXUQAMVZAET-OAHLLOKOSA-N 0 3 376.438 0.548 20 0 GCADHN COCCn1cc(N2C[C@@H](C(=O)N(C)CCN3CCCCC3)CC2=O)cn1 ZINC000652992535 1197195306 /nfs/dbraw/zinc/19/53/06/1197195306.db2.gz SSFMLGBMSUAMMG-INIZCTEOSA-N 0 3 377.489 0.827 20 0 GCADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000120067444 1197200266 /nfs/dbraw/zinc/20/02/66/1197200266.db2.gz BSYCKGHVGSYRLB-SJORKVTESA-N 0 3 380.514 0.984 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1C ZINC000666115436 1197207590 /nfs/dbraw/zinc/20/75/90/1197207590.db2.gz YGFCIBNKXWQWMJ-UHFFFAOYSA-N 0 3 399.517 0.435 20 0 GCADHN Cn1c2ncn(CCN3CC[C@H](Oc4cccc(F)c4)C3)c2c(=O)n(C)c1=O ZINC000183371345 1197208447 /nfs/dbraw/zinc/20/84/47/1197208447.db2.gz CBCXLRNMZLGHGM-HNNXBMFYSA-N 0 3 387.415 0.726 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000475760050 1197210099 /nfs/dbraw/zinc/21/00/99/1197210099.db2.gz RZVWAJYLTZTVBC-RRFJBIMHSA-N 0 3 389.518 0.225 20 0 GCADHN COCC(COC)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000453928741 1197220937 /nfs/dbraw/zinc/22/09/37/1197220937.db2.gz GUBGRMKIKPCCEK-UHFFFAOYSA-N 0 3 392.500 0.933 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1C ZINC000453931221 1197223771 /nfs/dbraw/zinc/22/37/71/1197223771.db2.gz NVDNKXZJHIUCDM-GXTWGEPZSA-N 0 3 380.470 0.004 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C[C@@H]1N(C)C ZINC000760208570 1197225109 /nfs/dbraw/zinc/22/51/09/1197225109.db2.gz NOHZFJAMZSMDTN-OWCLPIDISA-N 0 3 393.488 0.750 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000453936275 1197230394 /nfs/dbraw/zinc/23/03/94/1197230394.db2.gz NVDJGZDOTRIYEC-IYBDPMFKSA-N 0 3 376.501 0.909 20 0 GCADHN CC1CCC(NC(=O)CN2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)CC1 ZINC000188757514 1197233728 /nfs/dbraw/zinc/23/37/28/1197233728.db2.gz GEPHJSXYWRQGKK-UHFFFAOYSA-N 0 3 388.516 0.508 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)CN1CCN(C)CC1 ZINC000189795759 1197238645 /nfs/dbraw/zinc/23/86/45/1197238645.db2.gz OOPILIQHPPJMFR-QYZOEREBSA-N 0 3 392.544 0.427 20 0 GCADHN Cn1cc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1C(N)=O ZINC000192988210 1197249245 /nfs/dbraw/zinc/24/92/45/1197249245.db2.gz OLUCQHVWDXANKW-HNNXBMFYSA-N 0 3 376.482 0.924 20 0 GCADHN NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000666297415 1197258259 /nfs/dbraw/zinc/25/82/59/1197258259.db2.gz LWQWQOFTMCRKMY-IAGOWNOFSA-N 0 3 380.514 0.683 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000666308484 1197261862 /nfs/dbraw/zinc/26/18/62/1197261862.db2.gz GAMKRVLSXQBSOC-GOSISDBHSA-N 0 3 394.541 0.945 20 0 GCADHN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103122824 1197263279 /nfs/dbraw/zinc/26/32/79/1197263279.db2.gz XQCFNSOJYWTWKR-GOSISDBHSA-N 0 3 390.484 0.801 20 0 GCADHN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103122823 1197263395 /nfs/dbraw/zinc/26/33/95/1197263395.db2.gz XQCFNSOJYWTWKR-SFHVURJKSA-N 0 3 390.484 0.801 20 0 GCADHN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103123138 1197263564 /nfs/dbraw/zinc/26/35/64/1197263564.db2.gz KQAHIPQCLDHHNN-UHFFFAOYSA-N 0 3 399.499 0.440 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)c3cnn(C[C@@H](O)CO)c3)cc2)CC1 ZINC000666346075 1197264867 /nfs/dbraw/zinc/26/48/67/1197264867.db2.gz NYMAAFBTQJYJLD-LJQANCHMSA-N 0 3 387.484 0.626 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000103268269 1197269921 /nfs/dbraw/zinc/26/99/21/1197269921.db2.gz JBEURZVGUSRNSS-UHFFFAOYSA-N 0 3 399.539 0.994 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCC(NC(C)=O)CC2)c(OC)c1 ZINC000051580013 1197271401 /nfs/dbraw/zinc/27/14/01/1197271401.db2.gz RIAHWBHDJOQXAS-MRXNPFEDSA-N 0 3 380.441 0.822 20 0 GCADHN Cc1ccc(F)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000103325723 1197271672 /nfs/dbraw/zinc/27/16/72/1197271672.db2.gz KFWAGTFZHDEWFW-UHFFFAOYSA-N 0 3 376.432 0.839 20 0 GCADHN CN(C)CCN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000053152897 1197277086 /nfs/dbraw/zinc/27/70/86/1197277086.db2.gz LUKZFUINAZMMCV-HOCLYGCPSA-N 0 3 385.530 0.355 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H](C3CCC3)C2)CC1 ZINC000666493957 1197283058 /nfs/dbraw/zinc/28/30/58/1197283058.db2.gz HJOQMVNDYJMJAQ-KRWDZBQOSA-N 0 3 376.501 0.402 20 0 GCADHN CNC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000453977750 1197294307 /nfs/dbraw/zinc/29/43/07/1197294307.db2.gz YNXAQSWZUFWYBH-CQSZACIVSA-N 0 3 392.525 0.857 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000988305747 1197304920 /nfs/dbraw/zinc/30/49/20/1197304920.db2.gz KARPSGVBUSSVHP-LVQVYYBASA-N 0 3 378.517 0.739 20 0 GCADHN CC[C@H](O)[C@H](CC)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000454048233 1197319019 /nfs/dbraw/zinc/31/90/19/1197319019.db2.gz NUGFJFYRIKCUFT-ZFWWWQNUSA-N 0 3 392.456 0.760 20 0 GCADHN CC[C@@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)C(=O)NC ZINC000454087683 1197323037 /nfs/dbraw/zinc/32/30/37/1197323037.db2.gz IIGOUOKLKAPIPW-MRXNPFEDSA-N 0 3 389.500 0.716 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000454097237 1197323924 /nfs/dbraw/zinc/32/39/24/1197323924.db2.gz MGQTXEYQDKXCMD-AWEZNQCLSA-N 0 3 396.513 0.783 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)ccc1F ZINC000454095999 1197324354 /nfs/dbraw/zinc/32/43/54/1197324354.db2.gz LYESZZSVUHRMFC-AWEZNQCLSA-N 0 3 389.435 0.989 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C1 ZINC000454083868 1197324617 /nfs/dbraw/zinc/32/46/17/1197324617.db2.gz DIWKWDXDCQFLKE-CQSZACIVSA-N 0 3 396.513 0.962 20 0 GCADHN CC[C@@H](NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1)C(=O)NC ZINC000454102806 1197326046 /nfs/dbraw/zinc/32/60/46/1197326046.db2.gz OZFCLWQIQCUQML-MRXNPFEDSA-N 0 3 375.473 0.408 20 0 GCADHN O=C(CN1CCC[C@@H](CN2CCOCC2)C1)NCCCN1CCCCCC1=O ZINC000112200608 1197333603 /nfs/dbraw/zinc/33/36/03/1197333603.db2.gz DPMSZAOYWGJIMZ-IBGZPJMESA-N 0 3 394.560 0.940 20 0 GCADHN COc1ccc(CN(CCO)C(=O)C(=O)NCCN2CCC(C)CC2)cc1 ZINC000897451176 1197333925 /nfs/dbraw/zinc/33/39/25/1197333925.db2.gz NBAACYRHPJWFPI-UHFFFAOYSA-N 0 3 377.485 0.864 20 0 GCADHN CC(C)N(C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112503705 1197334663 /nfs/dbraw/zinc/33/46/63/1197334663.db2.gz LWXLXJCROXMSCL-MRXNPFEDSA-N 0 3 376.505 0.738 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)N[C@H](C)CN2CCCCC2)n(C)c1C ZINC000897454466 1197335141 /nfs/dbraw/zinc/33/51/41/1197335141.db2.gz FDMZRMSDDUMPRO-CYBMUJFWSA-N 0 3 378.473 0.727 20 0 GCADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000532605089 1197338856 /nfs/dbraw/zinc/33/88/56/1197338856.db2.gz JTDZWNGBZWWRCH-UHFFFAOYSA-N 0 3 378.473 0.974 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)NC[C@]2(C)CCOC3(CCC3)C2)CC1 ZINC000897464736 1197339494 /nfs/dbraw/zinc/33/94/94/1197339494.db2.gz QJTQJYMAYFAFKL-HXUWFJFHSA-N 0 3 394.560 0.986 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)NC[C@@]2(C)CCOC3(CCC3)C2)CC1 ZINC000897464735 1197339588 /nfs/dbraw/zinc/33/95/88/1197339588.db2.gz QJTQJYMAYFAFKL-FQEVSTJZSA-N 0 3 394.560 0.986 20 0 GCADHN CC(C)[C@H](CNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C)N1CCN(C)CC1 ZINC000332821891 1197344707 /nfs/dbraw/zinc/34/47/07/1197344707.db2.gz BCULRJXMZCNFJS-FHWLQOOXSA-N 0 3 381.565 0.763 20 0 GCADHN Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H](C)CN3CCN(C)CC3)C2)nn1 ZINC000332918908 1197346845 /nfs/dbraw/zinc/34/68/45/1197346845.db2.gz ARRPEYDFFXLFGT-FUHWJXTLSA-N 0 3 389.548 0.937 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000332940373 1197347369 /nfs/dbraw/zinc/34/73/69/1197347369.db2.gz SVOKQPCIUMCSID-RVZJWNSFSA-N 0 3 378.473 0.201 20 0 GCADHN C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000332965018 1197348337 /nfs/dbraw/zinc/34/83/37/1197348337.db2.gz LEBSTBYFTOXHAL-YESZJQIVSA-N 0 3 393.532 0.724 20 0 GCADHN C[C@H]([C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N1CCOCC1 ZINC000332971420 1197348461 /nfs/dbraw/zinc/34/84/61/1197348461.db2.gz YKXFKSKXSIJENX-GVDBMIGSSA-N 0 3 381.521 0.044 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)CC1 ZINC000332993705 1197348804 /nfs/dbraw/zinc/34/88/04/1197348804.db2.gz VWXIDVBTGCPXDP-ALKREAHSSA-N 0 3 390.532 0.390 20 0 GCADHN C[C@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[C@@H]1N1CCN(C)CC1 ZINC000536529543 1197353513 /nfs/dbraw/zinc/35/35/13/1197353513.db2.gz HMOWWSIIZNQKOW-HOCLYGCPSA-N 0 3 395.529 0.975 20 0 GCADHN C[C@@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[C@H]1N1CCN(C)CC1 ZINC000536529541 1197353860 /nfs/dbraw/zinc/35/38/60/1197353860.db2.gz HMOWWSIIZNQKOW-GDBMZVCRSA-N 0 3 395.529 0.975 20 0 GCADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729619707 1197354496 /nfs/dbraw/zinc/35/44/96/1197354496.db2.gz SGZXQZRVBYWSGZ-KBMXLJTQSA-N 0 3 396.513 0.900 20 0 GCADHN CN(C)Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000126307172 1197357412 /nfs/dbraw/zinc/35/74/12/1197357412.db2.gz ABDHIBJNPUMIHN-IBGZPJMESA-N 0 3 388.512 0.545 20 0 GCADHN O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000126885368 1197359449 /nfs/dbraw/zinc/35/94/49/1197359449.db2.gz DQIZCWQMJDIFJF-UXHICEINSA-N 0 3 392.463 0.956 20 0 GCADHN CN(C)CCN(CCc1ccccc1)C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC000888215048 1197363521 /nfs/dbraw/zinc/36/35/21/1197363521.db2.gz OIULGOMZMQFFLR-INIZCTEOSA-N 0 3 386.456 0.633 20 0 GCADHN CN(CCCNC(=O)CN1CCC[C@H](Cc2nccn2C)C1)S(C)(=O)=O ZINC000131266536 1197375825 /nfs/dbraw/zinc/37/58/25/1197375825.db2.gz ALUMXIQBFPMIHZ-OAHLLOKOSA-N 0 3 385.534 0.072 20 0 GCADHN CN1C[C@H](C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CC1=O ZINC000131372595 1197376233 /nfs/dbraw/zinc/37/62/33/1197376233.db2.gz WUSBYRPLIPVKLA-ZWKOTPCHSA-N 0 3 385.512 0.921 20 0 GCADHN CNC(=O)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN(C)CC(C)(C)C)C3)CC1 ZINC001719934477 1197376551 /nfs/dbraw/zinc/37/65/51/1197376551.db2.gz FCMBALAAVRNKHP-KFWWJZLASA-N 0 3 378.517 0.739 20 0 GCADHN CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[C@@H](C(N)=O)O1)CC(C)(C)C ZINC001719939468 1197378816 /nfs/dbraw/zinc/37/88/16/1197378816.db2.gz IKXQYXFBTYQJMO-RBGFHDKUSA-N 0 3 394.516 0.245 20 0 GCADHN CN(C)c1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000359875323 1197379306 /nfs/dbraw/zinc/37/93/06/1197379306.db2.gz SDBHEXKRQPZPEE-KRWDZBQOSA-N 0 3 387.484 0.456 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000133485627 1197383088 /nfs/dbraw/zinc/38/30/88/1197383088.db2.gz XKMNGVLRAOHQJM-WBVHZDCISA-N 0 3 398.467 0.595 20 0 GCADHN CC[C@@](C)(NCC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)C(N)=O ZINC000133807548 1197383985 /nfs/dbraw/zinc/38/39/85/1197383985.db2.gz VCJUEHCAGUDKIU-HXUWFJFHSA-N 0 3 376.501 0.973 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2ccccc2I)no1 ZINC001211956297 1197387229 /nfs/dbraw/zinc/38/72/29/1197387229.db2.gz UMDJBDOVAVFFCY-VIFPVBQESA-N 0 3 388.165 0.450 20 0 GCADHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@H](CO)CN(C)C)c(OC)c1 ZINC000614853713 1197388155 /nfs/dbraw/zinc/38/81/55/1197388155.db2.gz GYABYAWTBXQTMC-BBRMVZONSA-N 0 3 379.457 0.347 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000614851526 1197388783 /nfs/dbraw/zinc/38/87/83/1197388783.db2.gz BNMIZRCSUZXCLY-JSGCOSHPSA-N 0 3 382.848 0.584 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000614851727 1197388863 /nfs/dbraw/zinc/38/88/63/1197388863.db2.gz BNMIZRCSUZXCLY-OCCSQVGLSA-N 0 3 382.848 0.584 20 0 GCADHN CC(C)Cc1nnc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000141467404 1197396332 /nfs/dbraw/zinc/39/63/32/1197396332.db2.gz KNOYURSKNNIGDG-AWEZNQCLSA-N 0 3 394.545 0.914 20 0 GCADHN COc1cc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc(OC)c1OC ZINC000418903449 1197396575 /nfs/dbraw/zinc/39/65/75/1197396575.db2.gz BFCCHFOWHIDGNZ-DGCLKSJQSA-N 0 3 395.456 0.558 20 0 GCADHN COc1cc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc(OC)c1OC ZINC000418903451 1197396869 /nfs/dbraw/zinc/39/68/69/1197396869.db2.gz BFCCHFOWHIDGNZ-WCQYABFASA-N 0 3 395.456 0.558 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCOC2(CCC2)C1)CN1CCN(C)CC1 ZINC000897493410 1197401908 /nfs/dbraw/zinc/40/19/08/1197401908.db2.gz AJOLUDRLPDBSPC-FXAWDEMLSA-N 0 3 394.560 0.842 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCOC2(CCC2)C1)CN1CCN(C)CC1 ZINC000897493412 1197402167 /nfs/dbraw/zinc/40/21/67/1197402167.db2.gz AJOLUDRLPDBSPC-XLIONFOSSA-N 0 3 394.560 0.842 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CCC3(COC3)CC2)CC1 ZINC000897495096 1197402886 /nfs/dbraw/zinc/40/28/86/1197402886.db2.gz VAZMNTNPCZUGFV-MRXNPFEDSA-N 0 3 380.533 0.452 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 ZINC000419025921 1197407015 /nfs/dbraw/zinc/40/70/15/1197407015.db2.gz AXLUKDBIBLZBAY-JKSUJKDBSA-N 0 3 384.411 0.863 20 0 GCADHN COC(=O)Cc1ccc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000532774340 1197411542 /nfs/dbraw/zinc/41/15/42/1197411542.db2.gz WODJEHRLCWAVED-INIZCTEOSA-N 0 3 384.498 0.773 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000532814748 1197414304 /nfs/dbraw/zinc/41/43/04/1197414304.db2.gz JWDONHRMAYEJSF-MRXNPFEDSA-N 0 3 390.550 0.410 20 0 GCADHN CCOC(=O)Cn1cccc(NC(=O)NCCCCN2CCN(C)CC2)c1=O ZINC000532841430 1197415331 /nfs/dbraw/zinc/41/53/31/1197415331.db2.gz LIZLHZHEIVOVMO-UHFFFAOYSA-N 0 3 393.488 0.561 20 0 GCADHN CCOc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)cc1 ZINC000632725121 1197418633 /nfs/dbraw/zinc/41/86/33/1197418633.db2.gz CLWSXFWDQPKVNJ-HNNXBMFYSA-N 0 3 399.513 0.543 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000532902647 1197419480 /nfs/dbraw/zinc/41/94/80/1197419480.db2.gz UVKHLUMBXVECIB-HUUCEWRRSA-N 0 3 386.452 0.787 20 0 GCADHN O=C(NCc1ccc(OCCOc2ccccc2)nc1)C(=O)N1CCCNCC1 ZINC000419529286 1197422105 /nfs/dbraw/zinc/42/21/05/1197422105.db2.gz YAWZVSYVVAVEJE-UHFFFAOYSA-N 0 3 398.463 0.978 20 0 GCADHN C[C@H](CNC(=O)N[C@@H](C)C(=O)NCCc1ccccc1)CN1CCN(C)CC1 ZINC000454616380 1197423921 /nfs/dbraw/zinc/42/39/21/1197423921.db2.gz JYWHAKXQHIMMTF-MSOLQXFVSA-N 0 3 389.544 0.917 20 0 GCADHN NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000532992857 1197426812 /nfs/dbraw/zinc/42/68/12/1197426812.db2.gz KNZRPLSYYLXRAY-DYVFJYSZSA-N 0 3 399.538 0.971 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(S(=O)(=O)c3cnn([C@H]4CCOC4)c3)C2)CC1 ZINC000533097818 1197432016 /nfs/dbraw/zinc/43/20/16/1197432016.db2.gz BJNXCDDUEAPKPN-SJORKVTESA-N 0 3 397.545 0.634 20 0 GCADHN O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245819469 1197432734 /nfs/dbraw/zinc/43/27/34/1197432734.db2.gz DQIZCWQMJDIFJF-VQTJNVASSA-N 0 3 392.463 0.956 20 0 GCADHN C[C@H](CNC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)CN1CCOCC1 ZINC000245821829 1197433397 /nfs/dbraw/zinc/43/33/97/1197433397.db2.gz DZRGMBQDQVNAGE-YZGWKJHDSA-N 0 3 390.528 0.889 20 0 GCADHN CN(CC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ncnc2nc[nH]c21 ZINC000245841987 1197434636 /nfs/dbraw/zinc/43/46/36/1197434636.db2.gz HYDBXYIZAKSTQT-HZPDHXFCSA-N 0 3 395.467 0.541 20 0 GCADHN CC(C)C[C@@H](N)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000236726825 1197436089 /nfs/dbraw/zinc/43/60/89/1197436089.db2.gz ITVXEDXUHFHYPI-MRXNPFEDSA-N 0 3 382.530 0.612 20 0 GCADHN Cc1nc2sccn2c1C(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001272089266 1197438116 /nfs/dbraw/zinc/43/81/16/1197438116.db2.gz IXTNXFWUQFHBGV-UHFFFAOYSA-N 0 3 377.470 0.319 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cccnc1N1CCCC1 ZINC000533213274 1197440246 /nfs/dbraw/zinc/44/02/46/1197440246.db2.gz QDVRIWHZDGVTLD-UHFFFAOYSA-N 0 3 375.517 0.802 20 0 GCADHN COC[C@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)[C@H]1CCCOC1 ZINC000897512808 1197445623 /nfs/dbraw/zinc/44/56/23/1197445623.db2.gz BBORXPHRSXDVHO-FHWLQOOXSA-N 0 3 391.512 0.833 20 0 GCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000897514284 1197447475 /nfs/dbraw/zinc/44/74/75/1197447475.db2.gz YJXQVJNMUSEQMJ-ROUUACIJSA-N 0 3 386.496 0.403 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCC(=O)c2cccs2)CC1 ZINC000533483333 1197454536 /nfs/dbraw/zinc/45/45/36/1197454536.db2.gz VQZFBFOUGHXJFF-AWEZNQCLSA-N 0 3 378.498 0.285 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000246238539 1197457561 /nfs/dbraw/zinc/45/75/61/1197457561.db2.gz XHDWBPJVYZPRAM-CGTJXYLNSA-N 0 3 376.501 0.894 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2c(C)nn(CCOC)c2C)CC1 ZINC000533592476 1197461065 /nfs/dbraw/zinc/46/10/65/1197461065.db2.gz BOJCPDZXDQFDPC-CQSZACIVSA-N 0 3 394.520 0.227 20 0 GCADHN CC(=O)c1ccc(F)c(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c1 ZINC001211998209 1197465512 /nfs/dbraw/zinc/46/55/12/1197465512.db2.gz IEUYTCRAUWFXJT-ISVAXAHUSA-N 0 3 377.376 0.328 20 0 GCADHN CSc1cc(F)c(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)cc1F ZINC001211998458 1197466005 /nfs/dbraw/zinc/46/60/05/1197466005.db2.gz PJJSPCKEUHUQRH-WRWORJQWSA-N 0 3 399.423 0.987 20 0 GCADHN COc1ncc(Cl)cc1-c1noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001211998733 1197466207 /nfs/dbraw/zinc/46/62/07/1197466207.db2.gz YZPBOQGBGDRUJZ-OIBJUYFYSA-N 0 3 382.808 0.044 20 0 GCADHN CCN1CCN(C(=O)CC2CCN([C@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000066568161 1197467379 /nfs/dbraw/zinc/46/73/79/1197467379.db2.gz FQFAXXSGQWAUHQ-QGZVFWFLSA-N 0 3 382.549 0.794 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1F ZINC000069936212 1197469183 /nfs/dbraw/zinc/46/91/83/1197469183.db2.gz ZPWDEQOEASELMJ-CQSZACIVSA-N 0 3 387.419 0.745 20 0 GCADHN COc1ccnc(-c2noc([C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)n2)c1 ZINC001212000611 1197469925 /nfs/dbraw/zinc/46/99/25/1197469925.db2.gz PEJRSYIIMMJIPE-HOCLYGCPSA-N 0 3 399.407 0.565 20 0 GCADHN C[C@@H](CNC(=O)N1CCCC[C@H]1CN1CCOCC1)CN1CCN(C)CC1 ZINC000074657095 1197472071 /nfs/dbraw/zinc/47/20/71/1197472071.db2.gz NQPYTKIIOFXEJZ-OALUTQOASA-N 0 3 381.565 0.766 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)N1CCC[C@H](C)C1 ZINC000246783194 1197473955 /nfs/dbraw/zinc/47/39/55/1197473955.db2.gz PAQWEVKRTCRAKG-QWHCGFSZSA-N 0 3 389.435 0.977 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000246733815 1197474394 /nfs/dbraw/zinc/47/43/94/1197474394.db2.gz OTYGDXSLTIXDFE-RDJZCZTQSA-N 0 3 399.499 0.513 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000246964501 1197474512 /nfs/dbraw/zinc/47/45/12/1197474512.db2.gz IBJJLLLUJXPNAU-DOTOQJQBSA-N 0 3 388.468 0.393 20 0 GCADHN COc1cc(Cl)c(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)cc1OC ZINC001212022663 1197474956 /nfs/dbraw/zinc/47/49/56/1197474956.db2.gz ATTBWXIWNOQZKY-XVKPBYJWSA-N 0 3 397.819 0.787 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000249757892 1197483184 /nfs/dbraw/zinc/48/31/84/1197483184.db2.gz ITWOPBRKCFGLBE-MCIONIFRSA-N 0 3 378.439 0.833 20 0 GCADHN C[C@@H]1[C@H](NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CCN1Cc1ccccc1 ZINC000614903044 1197486057 /nfs/dbraw/zinc/48/60/57/1197486057.db2.gz OSXSLISJOQZIQW-HYVNUMGLSA-N 0 3 380.514 0.681 20 0 GCADHN CN(Cc1cccs1)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001482771066 1197489142 /nfs/dbraw/zinc/48/91/42/1197489142.db2.gz ZLXIHYVYMPYINS-XNISGKROSA-N 0 3 381.498 0.341 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N(CCO)Cc2ccc(OC)cc2)CC1 ZINC000897529426 1197491989 /nfs/dbraw/zinc/49/19/89/1197491989.db2.gz KZICCNDQOSSKIS-UHFFFAOYSA-N 0 3 393.484 0.243 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)CC1 ZINC000897529127 1197492519 /nfs/dbraw/zinc/49/25/19/1197492519.db2.gz GENQZARVGTVJKF-RNKNFESXSA-N 0 3 397.516 0.302 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCCNC(=O)c1ccco1 ZINC000116621619 1197509092 /nfs/dbraw/zinc/50/90/92/1197509092.db2.gz USXQKMRINHQSNM-HNNXBMFYSA-N 0 3 378.473 0.849 20 0 GCADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)C1 ZINC000367059273 1197511875 /nfs/dbraw/zinc/51/18/75/1197511875.db2.gz DCMOSFONTRYYCS-QYZOEREBSA-N 0 3 391.560 0.215 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCNC[C@@H]2c2cccc(F)c2)CC1 ZINC000261708833 1197512366 /nfs/dbraw/zinc/51/23/66/1197512366.db2.gz KEXUQYNMSHEHRX-GOSISDBHSA-N 0 3 391.491 0.004 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000261773600 1197514342 /nfs/dbraw/zinc/51/43/42/1197514342.db2.gz ZJEMBRGYLHPLHP-INIZCTEOSA-N 0 3 380.514 0.333 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000261801835 1197515226 /nfs/dbraw/zinc/51/52/26/1197515226.db2.gz RONUFFOAULMQMG-LJQANCHMSA-N 0 3 382.512 0.711 20 0 GCADHN CCN(C(=O)CN1CCNC[C@@H]1c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000261874714 1197516864 /nfs/dbraw/zinc/51/68/64/1197516864.db2.gz XVEMKMVSJGFAAI-IAGOWNOFSA-N 0 3 383.489 0.808 20 0 GCADHN CCN(C(=O)CN1CCNC[C@H]1c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000261874717 1197516967 /nfs/dbraw/zinc/51/69/67/1197516967.db2.gz XVEMKMVSJGFAAI-IRXDYDNUSA-N 0 3 383.489 0.808 20 0 GCADHN O=C(NC[C@H]1CCCN(S(=O)(=O)c2c[n-]c3ncccc23)C1)[C@@H]1CCC[NH2+]1 ZINC000261919617 1197519120 /nfs/dbraw/zinc/51/91/20/1197519120.db2.gz UUZVUBFROUFGLR-HIFRSBDPSA-N 0 3 391.497 0.832 20 0 GCADHN COc1ccc(OC)c(CN2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)c1 ZINC000261970845 1197520867 /nfs/dbraw/zinc/52/08/67/1197520867.db2.gz BJHCKZLEATZGGD-IBGZPJMESA-N 0 3 392.500 0.448 20 0 GCADHN COc1ccc(CCC(=O)N2CCN(CCC(=O)N3CCNCC3)CC2)cc1 ZINC000262079784 1197524341 /nfs/dbraw/zinc/52/43/41/1197524341.db2.gz KOSWCHPIYRMXCW-UHFFFAOYSA-N 0 3 388.512 0.594 20 0 GCADHN COc1ccccc1[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)c1noc(C)n1 ZINC000262166070 1197526287 /nfs/dbraw/zinc/52/62/87/1197526287.db2.gz QDJUFKULTPPGFR-JKSUJKDBSA-N 0 3 375.429 0.692 20 0 GCADHN COc1cccc(CC(=O)N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)c1 ZINC000262185974 1197526872 /nfs/dbraw/zinc/52/68/72/1197526872.db2.gz RINCHWNCELDWQO-IBGZPJMESA-N 0 3 390.484 0.008 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262303577 1197529045 /nfs/dbraw/zinc/52/90/45/1197529045.db2.gz BXFFYDQYKQFYNM-HKUYNNGSSA-N 0 3 386.496 0.170 20 0 GCADHN NC(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000262409623 1197530629 /nfs/dbraw/zinc/53/06/29/1197530629.db2.gz QLOYKDZQRYFDBM-KRWDZBQOSA-N 0 3 387.461 0.562 20 0 GCADHN Cn1c2c(ccn2CC(=O)NC[C@@H]2NCCc3ccccc32)c(=O)n(C)c1=O ZINC000262425685 1197531223 /nfs/dbraw/zinc/53/12/23/1197531223.db2.gz SHSVTRYJLGYZGL-INIZCTEOSA-N 0 3 381.436 0.042 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1Cc2cccc(O)c2C1 ZINC000428579133 1197534220 /nfs/dbraw/zinc/53/42/20/1197534220.db2.gz WOYVYTSOAZCDFI-KRWDZBQOSA-N 0 3 376.501 0.549 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1Cc2cccc(O)c2C1 ZINC000428579135 1197534480 /nfs/dbraw/zinc/53/44/80/1197534480.db2.gz WOYVYTSOAZCDFI-QGZVFWFLSA-N 0 3 376.501 0.549 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000262944466 1197538963 /nfs/dbraw/zinc/53/89/63/1197538963.db2.gz AQFOQQQPSFHINC-KRWDZBQOSA-N 0 3 375.473 0.426 20 0 GCADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282056437 1197547035 /nfs/dbraw/zinc/54/70/35/1197547035.db2.gz QBKMAAWGYNPSGV-UHFFFAOYSA-N 0 3 394.447 0.693 20 0 GCADHN CCN(CCOCCO)C(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000282059107 1197547154 /nfs/dbraw/zinc/54/71/54/1197547154.db2.gz HCPVVEQJBHZCCY-UHFFFAOYSA-N 0 3 392.500 0.624 20 0 GCADHN C[C@@H](NC(=O)Cn1c2ccccc2n(C)c1=O)C(=O)NCCN1CCCCC1 ZINC000508687293 1197549695 /nfs/dbraw/zinc/54/96/95/1197549695.db2.gz CHYYKKWALZGWAY-OAHLLOKOSA-N 0 3 387.484 0.447 20 0 GCADHN NS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000615108219 1197551104 /nfs/dbraw/zinc/55/11/04/1197551104.db2.gz LDPMFIUUDZWFDL-GDBMZVCRSA-N 0 3 382.486 0.107 20 0 GCADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NCCCCn3ccnc3C)C2)CC1 ZINC000508717963 1197557773 /nfs/dbraw/zinc/55/77/73/1197557773.db2.gz MTKDZBXAJZJNAN-SFHVURJKSA-N 0 3 390.532 0.326 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CCCNC(=O)C1CCC1 ZINC000428646184 1197567102 /nfs/dbraw/zinc/56/71/02/1197567102.db2.gz DXJFTAJORNLFJB-QGZVFWFLSA-N 0 3 395.548 0.877 20 0 GCADHN CN(C)CCn1cc(NC(=O)c2cccc(CS(N)(=O)=O)c2)ccc1=O ZINC000533805328 1197568134 /nfs/dbraw/zinc/56/81/34/1197568134.db2.gz JUOWEVDLRHXYIG-UHFFFAOYSA-N 0 3 378.454 0.451 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c(=O)n(C)c1 ZINC000536993699 1197587673 /nfs/dbraw/zinc/58/76/73/1197587673.db2.gz GBZMBDYZSHBTJH-INIZCTEOSA-N 0 3 389.500 0.259 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC000999548554 1198948450 /nfs/dbraw/zinc/94/84/50/1198948450.db2.gz YKZULBAQBGIMRZ-QZWWFDLISA-N 0 3 376.501 0.730 20 0 GCADHN CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2ccn[nH]2)C1 ZINC000999562612 1198950112 /nfs/dbraw/zinc/95/01/12/1198950112.db2.gz WVIOMTXLOUZRPO-LTIDMASMSA-N 0 3 375.473 0.310 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000671994644 1198963530 /nfs/dbraw/zinc/96/35/30/1198963530.db2.gz MTFWMBVOBRTBKV-QGZVFWFLSA-N 0 3 392.475 0.591 20 0 GCADHN O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671994555 1198964411 /nfs/dbraw/zinc/96/44/11/1198964411.db2.gz SESBMIAYNBIXIY-QGZVFWFLSA-N 0 3 390.459 0.201 20 0 GCADHN C[C@H](CNC(=O)NCc1ccc(CS(C)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000465679428 1199019723 /nfs/dbraw/zinc/01/97/23/1199019723.db2.gz DMDVCMWLOXEZMY-MRXNPFEDSA-N 0 3 396.557 0.914 20 0 GCADHN COCCOc1ccc(CNC(=O)N(C)CCCN2CCN(C)CC2)cn1 ZINC000542777640 1199036966 /nfs/dbraw/zinc/03/69/66/1199036966.db2.gz KNNAKYKCLXCHNX-UHFFFAOYSA-N 0 3 379.505 0.886 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 ZINC000172571807 1199038709 /nfs/dbraw/zinc/03/87/09/1199038709.db2.gz WSLZAPZFMMNAQA-OAHLLOKOSA-N 0 3 382.530 0.479 20 0 GCADHN CN1CCN(CCCNC(=O)CN2CCCS2(=O)=O)[C@H](c2ccccc2)C1 ZINC000123122147 1199042980 /nfs/dbraw/zinc/04/29/80/1199042980.db2.gz DBJYRFSVXVDLAT-SFHVURJKSA-N 0 3 394.541 0.517 20 0 GCADHN O=C(N[C@@H]1CCN(c2cccc(CNCCCO)n2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001128112493 1199051651 /nfs/dbraw/zinc/05/16/51/1199051651.db2.gz KAWUOSRIKXMVTD-SGTQZHETSA-N 0 3 386.496 0.672 20 0 GCADHN CC(=O)SC[C@@H](C)C(=O)N1C[C@@]2(F)C(=O)N(CCN(C)C)C[C@@]2(F)C1 ZINC001272879511 1199052685 /nfs/dbraw/zinc/05/26/85/1199052685.db2.gz QSZARJDOXMRQSQ-HFBAOOFYSA-N 0 3 377.457 0.565 20 0 GCADHN C[C@H](CNC(=O)NCCN1C(=O)c2ccccc2C1=O)CN1CCN(C)CC1 ZINC000465763736 1199054643 /nfs/dbraw/zinc/05/46/43/1199054643.db2.gz SUQOOMDQPBZTFR-OAHLLOKOSA-N 0 3 387.484 0.465 20 0 GCADHN COC(=O)COc1ccccc1CNCCC(=O)N1CCN(C(C)=O)CC1 ZINC000921708838 1199060878 /nfs/dbraw/zinc/06/08/78/1199060878.db2.gz MDPRGWHOWIQQAJ-UHFFFAOYSA-N 0 3 377.441 0.409 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c(C)c1 ZINC000656026368 1199064726 /nfs/dbraw/zinc/06/47/26/1199064726.db2.gz FTKVUEATGONHKD-INIZCTEOSA-N 0 3 385.472 0.271 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000428836791 1199068537 /nfs/dbraw/zinc/06/85/37/1199068537.db2.gz FZCPELHHKULXOB-UHFFFAOYSA-N 0 3 393.554 0.007 20 0 GCADHN C[C@H](NC(=O)CN1CCN(CCN(C)Cc2ccccc2)CC1)C(=O)N(C)C ZINC000108865485 1199068822 /nfs/dbraw/zinc/06/88/22/1199068822.db2.gz CPOSRIZORHWNIK-SFHVURJKSA-N 0 3 389.544 0.329 20 0 GCADHN CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1CC[C@@H](N3CCCCC3)C1)CC2 ZINC000672083910 1199075206 /nfs/dbraw/zinc/07/52/06/1199075206.db2.gz DZFBETIGLDSLGB-HZPDHXFCSA-N 0 3 388.516 0.919 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@H]4C3)cc2)CC1 ZINC000765914390 1199081124 /nfs/dbraw/zinc/08/11/24/1199081124.db2.gz LTXSZCJBRSOVFU-SFHVURJKSA-N 0 3 399.495 0.600 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000656078831 1199091326 /nfs/dbraw/zinc/09/13/26/1199091326.db2.gz CJEMXVWHNLHAFC-INIZCTEOSA-N 0 3 382.549 0.623 20 0 GCADHN C[C@@H]1Oc2c(cccc2C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)NC1=O ZINC000269009401 1199101063 /nfs/dbraw/zinc/10/10/63/1199101063.db2.gz XALLQEYRSFCDHP-BBRMVZONSA-N 0 3 386.452 0.785 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@@H](c2ccco2)C1 ZINC000672110891 1199107687 /nfs/dbraw/zinc/10/76/87/1199107687.db2.gz XMBNXKNURVBYHG-HZPDHXFCSA-N 0 3 390.484 0.654 20 0 GCADHN O=C(CN1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1)N1CCOCC1 ZINC000624784602 1199107724 /nfs/dbraw/zinc/10/77/24/1199107724.db2.gz LQRCPHKKEAFUJY-GOSISDBHSA-N 0 3 393.532 0.189 20 0 GCADHN 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Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000673484583 1199704129 /nfs/dbraw/zinc/70/41/29/1199704129.db2.gz BEVXQKBPZGOPSZ-HKUYNNGSSA-N 0 3 388.447 0.477 20 0 GCADHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CN2CCCS2(=O)=O)CC1 ZINC000670395842 1199704290 /nfs/dbraw/zinc/70/42/90/1199704290.db2.gz KUZQGARSEXTLJZ-MRXNPFEDSA-N 0 3 389.562 0.742 20 0 GCADHN C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000673505008 1199716816 /nfs/dbraw/zinc/71/68/16/1199716816.db2.gz SQWBPZJHXKZHMI-HZSPNIEDSA-N 0 3 391.472 0.277 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCCC1=O)C2)N(C)C ZINC001003939948 1199719165 /nfs/dbraw/zinc/71/91/65/1199719165.db2.gz DQZNERDGMZELCF-JEWRLFTDSA-N 0 3 378.517 0.833 20 0 GCADHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673510761 1199724026 /nfs/dbraw/zinc/72/40/26/1199724026.db2.gz CHKVKDWBVBDMIE-SQGPQFPESA-N 0 3 384.480 0.883 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673512580 1199725220 /nfs/dbraw/zinc/72/52/20/1199725220.db2.gz DXOYGXCCKKKUNP-IAGOWNOFSA-N 0 3 395.525 0.998 20 0 GCADHN CS(=O)(=O)N1CCCc2cc(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)ccc21 ZINC000673514417 1199725236 /nfs/dbraw/zinc/72/52/36/1199725236.db2.gz NAXVUHMNSGMGOY-IAGOWNOFSA-N 0 3 393.509 0.680 20 0 GCADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673516772 1199725920 /nfs/dbraw/zinc/72/59/20/1199725920.db2.gz SMLLETPDEKNAJF-CVEARBPZSA-N 0 3 381.498 0.195 20 0 GCADHN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673517939 1199726179 /nfs/dbraw/zinc/72/61/79/1199726179.db2.gz PDOCQHSYEMODFN-HUUCEWRRSA-N 0 3 386.452 0.419 20 0 GCADHN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673519065 1199726890 /nfs/dbraw/zinc/72/68/90/1199726890.db2.gz WDNIUMJHVSVXGS-KGLIPLIRSA-N 0 3 382.420 0.810 20 0 GCADHN O=C([C@H](c1cccc(F)c1)N1CCOCC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673513710 1199728067 /nfs/dbraw/zinc/72/80/67/1199728067.db2.gz JYCCAYFDAIYZRA-FHWLQOOXSA-N 0 3 377.460 0.867 20 0 GCADHN O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673513480 1199728080 /nfs/dbraw/zinc/72/80/80/1199728080.db2.gz QCEWXCXDIQAPEI-HOTGVXAUSA-N 0 3 379.482 0.408 20 0 GCADHN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC000673515610 1199728995 /nfs/dbraw/zinc/72/89/95/1199728995.db2.gz DBCBZDJBJZRORK-CVEARBPZSA-N 0 3 381.498 0.654 20 0 GCADHN CC(C)[C@H](C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)N1C(=O)c2ccccc2C1=O ZINC000673516449 1199729469 /nfs/dbraw/zinc/72/94/69/1199729469.db2.gz RNJLBOCEXNBFAC-HDMKZQKVSA-N 0 3 385.464 0.975 20 0 GCADHN Cc1ccc(C(=O)N[C@H](CO)CN(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000673524052 1199731081 /nfs/dbraw/zinc/73/10/81/1199731081.db2.gz NEQCYQDNWWREKE-INIZCTEOSA-N 0 3 383.514 0.822 20 0 GCADHN CC(=O)NC1(c2noc(CCC(=O)N[C@@H](CO)CN(C)C)n2)CCCCCC1 ZINC000673524472 1199732073 /nfs/dbraw/zinc/73/20/73/1199732073.db2.gz VWIBNNQEUHYLDK-OAHLLOKOSA-N 0 3 395.504 0.727 20 0 GCADHN Cn1nnc2cccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)CN3CCCC3)c21 ZINC001003982996 1199733755 /nfs/dbraw/zinc/73/37/55/1199733755.db2.gz JGCDUVLMVZALKL-XYPHTWIQSA-N 0 3 382.468 0.926 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](CO)CN1CCCC1)C2=O ZINC000673531646 1199734462 /nfs/dbraw/zinc/73/44/62/1199734462.db2.gz OUMWNWNGSXLUBS-HVEKOLDVSA-N 0 3 380.489 0.450 20 0 GCADHN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N[C@@H](CO)CN1CCCC1 ZINC000673531644 1199735125 /nfs/dbraw/zinc/73/51/25/1199735125.db2.gz ORXDVJJTCOBSQS-QGZVFWFLSA-N 0 3 389.500 0.083 20 0 GCADHN C[C@@H](C(=O)N[C@@H](CO)CN1CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000673530017 1199735602 /nfs/dbraw/zinc/73/56/02/1199735602.db2.gz BMNUOHYLQSJKLF-FUHWJXTLSA-N 0 3 378.492 0.909 20 0 GCADHN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC000673529678 1199735989 /nfs/dbraw/zinc/73/59/89/1199735989.db2.gz AYQOHSFCEBLDID-ZBFHGGJFSA-N 0 3 383.514 0.950 20 0 GCADHN COc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1S(=O)(=O)NC(C)C ZINC000673533259 1199741659 /nfs/dbraw/zinc/74/16/59/1199741659.db2.gz LDTKUMSWTPEKCX-OAHLLOKOSA-N 0 3 399.513 0.568 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001004025958 1199754259 /nfs/dbraw/zinc/75/42/59/1199754259.db2.gz SJTZFIXGASYSOJ-MLHJIOFPSA-N 0 3 376.501 0.589 20 0 GCADHN CN1CCN(CCCNC(=O)CCNC(=O)N2CCc3ccccc3C2)CC1 ZINC000118305480 1199759426 /nfs/dbraw/zinc/75/94/26/1199759426.db2.gz JEQPCFVNSPZBPE-UHFFFAOYSA-N 0 3 387.528 0.898 20 0 GCADHN CC(=O)Nc1cccc(OCCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000265857595 1199760413 /nfs/dbraw/zinc/76/04/13/1199760413.db2.gz WARKWDHGMFYQBL-OAHLLOKOSA-N 0 3 376.457 0.550 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)[C@H]2C1 ZINC000272519203 1199774190 /nfs/dbraw/zinc/77/41/90/1199774190.db2.gz YDDIXFIDAJCLFQ-GJZGRUSLSA-N 0 3 376.461 0.300 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)c(OC)c[nH]1)C2)N(C)C ZINC001004106025 1199775034 /nfs/dbraw/zinc/77/50/34/1199775034.db2.gz JDMOKHSBCKUIGW-GBOPCIDUSA-N 0 3 376.457 0.585 20 0 GCADHN COc1coc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)cc1=O ZINC001004106443 1199775067 /nfs/dbraw/zinc/77/50/67/1199775067.db2.gz MUSLAOARSVSYAB-MCIONIFRSA-N 0 3 375.425 0.606 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)CSc2ccc(O)cc2)CC1=O ZINC000673549519 1199781706 /nfs/dbraw/zinc/78/17/06/1199781706.db2.gz JVSHXAQNQRDKIM-AWEZNQCLSA-N 0 3 381.498 0.780 20 0 GCADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000499866854 1199798250 /nfs/dbraw/zinc/79/82/50/1199798250.db2.gz DPJHPEVCFIHQLG-LIRRHRJNSA-N 0 3 389.496 0.535 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000272583975 1199801631 /nfs/dbraw/zinc/80/16/31/1199801631.db2.gz GYOLOAARNCNFJZ-MAUKXSAKSA-N 0 3 393.509 0.874 20 0 GCADHN C[C@H](c1ccccc1)[C@H](NCCC(=O)N1CCN(c2ncccn2)CC1)C(N)=O ZINC000428880818 1199814278 /nfs/dbraw/zinc/81/42/78/1199814278.db2.gz LYSSASCOCXIEIS-APWZRJJASA-N 0 3 396.495 0.763 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=COCCO1)[C@H](C1CC1)N1CCCC1 ZINC001004269756 1199834176 /nfs/dbraw/zinc/83/41/76/1199834176.db2.gz CVUWYBJKEFCLEQ-CBZIJGRNSA-N 0 3 375.469 0.997 20 0 GCADHN CCCN(CCN(C)C)C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000499985599 1199844759 /nfs/dbraw/zinc/84/47/59/1199844759.db2.gz ZIXQHNZERSPSNW-DOTOQJQBSA-N 0 3 385.530 0.823 20 0 GCADHN CC(C)Oc1cncc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000624951545 1199851221 /nfs/dbraw/zinc/85/12/21/1199851221.db2.gz IMNCXQDOJSCTCZ-CQSZACIVSA-N 0 3 384.502 0.735 20 0 GCADHN O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3c1CC(=O)N3)C2 ZINC001004297934 1199851632 /nfs/dbraw/zinc/85/16/32/1199851632.db2.gz GMYAFUQQZDKDSL-DFBGVHRSSA-N 0 3 380.408 0.404 20 0 GCADHN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[C@H](C(=O)N3CCN(C)[C@@H](C)[C@H]3C)O2)CCN1C ZINC000330266821 1199855186 /nfs/dbraw/zinc/85/51/86/1199855186.db2.gz AHMIWDAZIUWHSM-XFZGEKFBSA-N 0 3 380.533 0.636 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3C[C@H](C)N(C)C[C@@H]3C)O2)[C@@H](C)CN1C ZINC000330303621 1199855982 /nfs/dbraw/zinc/85/59/82/1199855982.db2.gz JYTKDZLMXKIFHX-MULDDASSSA-N 0 3 380.533 0.636 20 0 GCADHN CN1CCCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1=O ZINC001004325156 1199860096 /nfs/dbraw/zinc/86/00/96/1199860096.db2.gz FCZGSJBAHJCFDZ-TWMKSMIVSA-N 0 3 376.501 0.589 20 0 GCADHN CCN1C[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc2cccc(C)c2)CC1=O ZINC000653450593 1199863289 /nfs/dbraw/zinc/86/32/89/1199863289.db2.gz LYPFDRWGXLLCEM-SFHVURJKSA-N 0 3 388.512 0.870 20 0 GCADHN CCOC(=O)C(C(=O)OCC)c1ccnc(NC(=N)N2CCN(C)CC2)n1 ZINC001168735233 1199875592 /nfs/dbraw/zinc/87/55/92/1199875592.db2.gz KFJOGLSAHRSYEO-UHFFFAOYSA-N 0 3 378.433 0.280 20 0 GCADHN CC(C)[C@@H]1CN(C)CCN1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000155937498 1199878373 /nfs/dbraw/zinc/87/83/73/1199878373.db2.gz HWQONWXSPWDUAM-SFHVURJKSA-N 0 3 389.548 0.970 20 0 GCADHN Cc1ccn2ncc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@H]3CCCN3C)c2n1 ZINC001004424568 1199879681 /nfs/dbraw/zinc/87/96/81/1199879681.db2.gz AXSZECTUPMRFFW-MXASKKJJSA-N 0 3 382.468 0.994 20 0 GCADHN Cn1c2ccc(S(=O)(=O)NCCN3CCN(C)C(C)(C)C3)cc2oc1=O ZINC000282397935 1199884137 /nfs/dbraw/zinc/88/41/37/1199884137.db2.gz DKENRIKVSFXGLN-UHFFFAOYSA-N 0 3 382.486 0.436 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000673638161 1199899525 /nfs/dbraw/zinc/89/95/25/1199899525.db2.gz SQPTXIXJIQNZQY-HNNXBMFYSA-N 0 3 376.457 0.298 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)C(C)(C)NS(C)(=O)=O)cc2)CC1 ZINC000173102850 1199902167 /nfs/dbraw/zinc/90/21/67/1199902167.db2.gz MWKHFBJIVLHONB-UHFFFAOYSA-N 0 3 382.530 0.378 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]1(C2CCCC2)CCNC1=O ZINC000625083346 1199902249 /nfs/dbraw/zinc/90/22/49/1199902249.db2.gz IDYFEVBDQPEYBW-OXQOHEQNSA-N 0 3 378.517 0.742 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(N)=O)o1)C2)N(C)C ZINC001004609114 1199906536 /nfs/dbraw/zinc/90/65/36/1199906536.db2.gz YEEVBZJTHAXBAF-FOCJUVANSA-N 0 3 376.457 0.826 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CCOC)n1)C2)N(C)C ZINC001004632887 1199907704 /nfs/dbraw/zinc/90/77/04/1199907704.db2.gz VVHZAJMSYHGIFM-SIXLDLHFSA-N 0 3 377.489 0.731 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3n(n1)CCCO3)C2)N(C)C ZINC001004653088 1199910579 /nfs/dbraw/zinc/91/05/79/1199910579.db2.gz ARABLYOCOKUWTF-VDERGJSUSA-N 0 3 375.473 0.868 20 0 GCADHN CN1CCN(CCNS(=O)(=O)c2cnnn2-c2ccccc2)CC1(C)C ZINC000625182308 1199915480 /nfs/dbraw/zinc/91/54/80/1199915480.db2.gz FVZJQSJSVXHUGG-UHFFFAOYSA-N 0 3 378.502 0.572 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(CF)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001004718285 1199917247 /nfs/dbraw/zinc/91/72/47/1199917247.db2.gz PQKKJKSSGXACMC-GCXXMLIUSA-N 0 3 377.460 0.847 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccncc1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001004725616 1199918459 /nfs/dbraw/zinc/91/84/59/1199918459.db2.gz LFFPFIWIPRZIFI-MRXPOVGWSA-N 0 3 382.464 0.807 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)CC1 ZINC000625257890 1199924580 /nfs/dbraw/zinc/92/45/80/1199924580.db2.gz XOQRNQQBUOUTHL-HXUWFJFHSA-N 0 3 378.517 0.696 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccc(Cn3cncn3)c2)CC1 ZINC000625255883 1199926029 /nfs/dbraw/zinc/92/60/29/1199926029.db2.gz DMECREGBGALRRU-UHFFFAOYSA-N 0 3 384.484 0.953 20 0 GCADHN C[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000282437213 1199933841 /nfs/dbraw/zinc/93/38/41/1199933841.db2.gz RSYHTGIPDZJOKA-CQSZACIVSA-N 0 3 397.545 0.720 20 0 GCADHN O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000673783248 1199939975 /nfs/dbraw/zinc/93/99/75/1199939975.db2.gz IWOWJIYXGXHGPO-MRXNPFEDSA-N 0 3 399.451 0.277 20 0 GCADHN Cc1ccc(NC(=O)CN(C)C(=O)CN[C@H](CC(N)=O)C2CCOCC2)cc1 ZINC000543493160 1199963158 /nfs/dbraw/zinc/96/31/58/1199963158.db2.gz OSXBGYFXFCYSAY-QGZVFWFLSA-N 0 3 390.484 0.652 20 0 GCADHN CCCN(CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000282461597 1199969069 /nfs/dbraw/zinc/96/90/69/1199969069.db2.gz JWTZPMCKFUBAJC-MRXNPFEDSA-N 0 3 387.484 0.590 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nccn2ccnc12 ZINC001004815540 1199970248 /nfs/dbraw/zinc/97/02/48/1199970248.db2.gz SQDDMDACBLXITD-YUELXQCFSA-N 0 3 379.424 0.865 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn2cccnc12 ZINC001004815835 1199970698 /nfs/dbraw/zinc/97/06/98/1199970698.db2.gz XDUAHELUVDGTFP-WQVCFCJDSA-N 0 3 379.424 0.865 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C(N)=O)cc1 ZINC001004815860 1199970775 /nfs/dbraw/zinc/97/07/75/1199970775.db2.gz XSXFHUFELRNRLJ-OIISXLGYSA-N 0 3 381.436 0.921 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000673905612 1199974328 /nfs/dbraw/zinc/97/43/28/1199974328.db2.gz GLLHMUJOKIUTJK-MRXNPFEDSA-N 0 3 391.534 0.044 20 0 GCADHN COc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)C2CCC2)cnn1C ZINC001004834592 1199974342 /nfs/dbraw/zinc/97/43/42/1199974342.db2.gz UKJPXZNETGLTDT-BMFZPTHFSA-N 0 3 375.473 0.775 20 0 GCADHN CCn1nc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1C1CC1 ZINC000429164002 1199981177 /nfs/dbraw/zinc/98/11/77/1199981177.db2.gz BKVGHIUQUIUFSF-UHFFFAOYSA-N 0 3 378.521 1.292 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000057553275 1199983862 /nfs/dbraw/zinc/98/38/62/1199983862.db2.gz SNFOCTJHXDOLFX-WFASDCNBSA-N 0 3 394.497 0.665 20 0 GCADHN Cc1c(C(=O)N2CCC(NC(N)=O)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000673942162 1199991256 /nfs/dbraw/zinc/99/12/56/1199991256.db2.gz PGGMJEHQCUJJKU-UHFFFAOYSA-N 0 3 397.483 0.837 20 0 GCADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCN(C)[C@H](C(C)C)C2)CC1 ZINC000625525493 1199999243 /nfs/dbraw/zinc/99/92/43/1199999243.db2.gz VHICTGBLXLUNJH-SFHVURJKSA-N 0 3 394.560 0.888 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCNC(=O)C1)N1CCCC1 ZINC001004906201 1200003450 /nfs/dbraw/zinc/00/34/50/1200003450.db2.gz MTTZYYARUUWSSX-FPCVCCKLSA-N 0 3 376.501 0.635 20 0 GCADHN O=S1(=O)C[C@H](N[C@H]2Cc3[nH]c4ccccc4c3C2)[C@H](N2CCOCC2)C1 ZINC000282473443 1200005493 /nfs/dbraw/zinc/00/54/93/1200005493.db2.gz WMFNLKQFIRFEFO-ZNZDAUKMSA-N 0 3 375.494 0.723 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCC(=O)N2C)C3)CCC1 ZINC001004908802 1200006254 /nfs/dbraw/zinc/00/62/54/1200006254.db2.gz YQYYGVAAYXJLOK-FPCVCCKLSA-N 0 3 376.501 0.730 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCC(=O)N2C)C3)CCC1 ZINC001004908803 1200006479 /nfs/dbraw/zinc/00/64/79/1200006479.db2.gz YQYYGVAAYXJLOK-JJXSEGSLSA-N 0 3 376.501 0.730 20 0 GCADHN Cn1cnc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)CN3CCCC3)cnc21 ZINC001004911186 1200007948 /nfs/dbraw/zinc/00/79/48/1200007948.db2.gz OTEJZQVHNVPKGF-INMHGKMJSA-N 0 3 382.468 0.926 20 0 GCADHN CN1C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)N2CCCC2)C3)NC1=O ZINC001004911596 1200008272 /nfs/dbraw/zinc/00/82/72/1200008272.db2.gz DDUJASVYHVZDLX-TUVASFSCSA-N 0 3 377.489 0.133 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCC(=O)N1)N1CCCC1 ZINC001004913336 1200009115 /nfs/dbraw/zinc/00/91/15/1200009115.db2.gz NSEGMELEGCDECN-FPCVCCKLSA-N 0 3 376.501 0.778 20 0 GCADHN Cn1cnc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@H]3CCCN3C)cnc21 ZINC001004912324 1200009777 /nfs/dbraw/zinc/00/97/77/1200009777.db2.gz XSIWYCCBQLDNBR-TXCZRRACSA-N 0 3 382.468 0.924 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@]1(C)CNC(=O)C1)N1CCCC1 ZINC001004915281 1200011303 /nfs/dbraw/zinc/01/13/03/1200011303.db2.gz YHNCXOUDLDHQSV-GXNBUGAJSA-N 0 3 376.501 0.635 20 0 GCADHN Cn1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)c[nH]c1=O ZINC001004947995 1200024290 /nfs/dbraw/zinc/02/42/90/1200024290.db2.gz CWCAIFHWTQCJCM-MCIONIFRSA-N 0 3 375.473 0.719 20 0 GCADHN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC(N2CCOCC2)CC1 ZINC000625545785 1200026778 /nfs/dbraw/zinc/02/67/78/1200026778.db2.gz YPLLCAJZQNOLOR-GOSISDBHSA-N 0 3 387.528 0.915 20 0 GCADHN CC(=O)N1CCCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000657964344 1200032009 /nfs/dbraw/zinc/03/20/09/1200032009.db2.gz FYHXCSVEXALEDS-IBGZPJMESA-N 0 3 386.496 0.800 20 0 GCADHN C/C=C\C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000625571087 1200049595 /nfs/dbraw/zinc/04/95/95/1200049595.db2.gz PANNYRIFCVVPIO-GUDHTMSVSA-N 0 3 390.528 0.956 20 0 GCADHN COCCN1CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000657968272 1200049851 /nfs/dbraw/zinc/04/98/51/1200049851.db2.gz YKIIPSOLFPNWOR-LJQANCHMSA-N 0 3 388.512 0.510 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCCC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000625572969 1200053238 /nfs/dbraw/zinc/05/32/38/1200053238.db2.gz HXVCDIPXLIUPRB-SFHVURJKSA-N 0 3 384.480 0.995 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2)C1CCC1 ZINC001005045746 1200055334 /nfs/dbraw/zinc/05/53/34/1200055334.db2.gz DPYGXVAHBFCHRY-KVLAAVFHSA-N 0 3 391.512 0.770 20 0 GCADHN CC[C@](O)(C(=O)N1C[C@@]2(F)C(=O)N(CCN(C)C)C[C@@]2(F)C1)C(F)(F)F ZINC001273119521 1200063616 /nfs/dbraw/zinc/06/36/16/1200063616.db2.gz MCLJCGSYYPODTE-MCIONIFRSA-N 0 3 387.349 0.352 20 0 GCADHN CC[C@](O)(C(=O)N1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2)C(F)(F)F ZINC001273120156 1200064794 /nfs/dbraw/zinc/06/47/94/1200064794.db2.gz WUKDYTGUADWMJN-GJZGRUSLSA-N 0 3 381.395 0.081 20 0 GCADHN NC(=O)c1ccc(OCCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000673989897 1200065021 /nfs/dbraw/zinc/06/50/21/1200065021.db2.gz VYCCENOTEQRNJE-KRWDZBQOSA-N 0 3 388.468 0.495 20 0 GCADHN Nc1ccccc1S(=O)(=O)NCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000670448268 1200071714 /nfs/dbraw/zinc/07/17/14/1200071714.db2.gz JJKYNHDLDFKUIT-INIZCTEOSA-N 0 3 388.493 0.938 20 0 GCADHN CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(N(C)C)CCC2)C1 ZINC001005060979 1200074151 /nfs/dbraw/zinc/07/41/51/1200074151.db2.gz GOIUGIPXRKJBDR-VQHPVUNQSA-N 0 3 376.501 0.587 20 0 GCADHN CC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)C2CCC2)C1 ZINC001005062811 1200076459 /nfs/dbraw/zinc/07/64/59/1200076459.db2.gz YVASWUOOGGQONB-DDBAPUKQSA-N 0 3 376.501 0.587 20 0 GCADHN CCCN1CCCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCCC2)CC1=O ZINC000625595320 1200076700 /nfs/dbraw/zinc/07/67/00/1200076700.db2.gz TYHXPWYXVPVEQC-QGZVFWFLSA-N 0 3 378.517 0.981 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)ccc2oc1=O ZINC000058738356 1200096736 /nfs/dbraw/zinc/09/67/36/1200096736.db2.gz KYLNFBFMLHNWPZ-CYBMUJFWSA-N 0 3 396.469 0.519 20 0 GCADHN CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CCN(CCCN2CCCC2=O)C1 ZINC001033294069 1200115025 /nfs/dbraw/zinc/11/50/25/1200115025.db2.gz IIQAEUBQXXPHCZ-MJQMVNBJSA-N 0 3 379.501 0.583 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N3CC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000282509537 1200132880 /nfs/dbraw/zinc/13/28/80/1200132880.db2.gz KIBPADIHPDGQPF-GOSISDBHSA-N 0 3 394.541 0.763 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1=O ZINC000282509825 1200133752 /nfs/dbraw/zinc/13/37/52/1200133752.db2.gz RTIXOVNDFHMFFP-NVXWUHKLSA-N 0 3 387.484 0.819 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000674192795 1200193793 /nfs/dbraw/zinc/19/37/93/1200193793.db2.gz KRZMNVYYJOULSJ-CQSZACIVSA-N 0 3 394.497 0.442 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(C)(C)C1 ZINC001005192848 1200211888 /nfs/dbraw/zinc/21/18/88/1200211888.db2.gz XYQHTUVRLUGSRQ-WCVJEAGWSA-N 0 3 376.501 0.587 20 0 GCADHN COC1CCN(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000674311675 1200218541 /nfs/dbraw/zinc/21/85/41/1200218541.db2.gz KXYIZFFVNWFVDN-IFXJQAMLSA-N 0 3 380.489 0.714 20 0 GCADHN COC1CCN(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000674311676 1200218724 /nfs/dbraw/zinc/21/87/24/1200218724.db2.gz KXYIZFFVNWFVDN-KUHUBIRLSA-N 0 3 380.489 0.714 20 0 GCADHN COC1CCN(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000674311137 1200218973 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CC(C)N(CCN(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000676664461 1200581917 /nfs/dbraw/zinc/58/19/17/1200581917.db2.gz SQTXOOWFLRNGGF-UHFFFAOYSA-N 0 3 386.518 0.458 20 0 GCADHN COc1ccc(COC[C@@H](O)CN2CCN(C(C)(C)CO)CC2)cc1OC ZINC000676701455 1200586078 /nfs/dbraw/zinc/58/60/78/1200586078.db2.gz DXDSQDXTWNSLOJ-KRWDZBQOSA-N 0 3 382.501 0.970 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2nc3n(n2)CCCC3)C1 ZINC000651642568 1200666714 /nfs/dbraw/zinc/66/67/14/1200666714.db2.gz GEZPGAGMBZTPQD-INIZCTEOSA-N 0 3 382.468 1.286 20 0 GCADHN CN(CC1CN(C)C1)C(=O)C(=O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000625781130 1200666858 /nfs/dbraw/zinc/66/68/58/1200666858.db2.gz WIIUGAFHTKPUIR-UHFFFAOYSA-N 0 3 383.496 0.832 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000509277339 1200705840 /nfs/dbraw/zinc/70/58/40/1200705840.db2.gz ASRNMIRIZAONTF-HDICACEKSA-N 0 3 397.564 0.681 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000429293626 1200720810 /nfs/dbraw/zinc/72/08/10/1200720810.db2.gz KPRDYRRHHHBWRB-MRXNPFEDSA-N 0 3 388.512 0.508 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000429298754 1200735107 /nfs/dbraw/zinc/73/51/07/1200735107.db2.gz FBHPMJZHZXMQMP-ZNMIVQPWSA-N 0 3 398.504 0.337 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3csc(Nc4cc(F)cc(F)c4)n3)CCN2C1=O ZINC000580571833 1200741875 /nfs/dbraw/zinc/74/18/75/1200741875.db2.gz GGTVXIOIXQRPRL-QWHCGFSZSA-N 0 3 393.419 1.549 20 0 GCADHN COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)n1 ZINC000425941579 1200897294 /nfs/dbraw/zinc/89/72/94/1200897294.db2.gz ZXIHJNPPADCMDG-WBVHZDCISA-N 0 3 387.484 1.318 20 0 GCADHN CCN1CCN(C[C@H](C)CNc2noc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000647857939 1200900906 /nfs/dbraw/zinc/90/09/06/1200900906.db2.gz UQBVVLPYUXEXNJ-CYBMUJFWSA-N 0 3 381.502 1.161 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC000923264160 1200914041 /nfs/dbraw/zinc/91/40/41/1200914041.db2.gz WEVDFBMJBCRFLD-BBWFWOEESA-N 0 3 390.459 0.424 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000923270921 1200916386 /nfs/dbraw/zinc/91/63/86/1200916386.db2.gz AJOGVOBKHGWPFA-PMUMKWKESA-N 0 3 378.473 0.297 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)[C@H](C)O)cc1 ZINC000923272875 1200918246 /nfs/dbraw/zinc/91/82/46/1200918246.db2.gz AQRBNHWXMKRVBP-UIBIWLFHSA-N 0 3 395.525 0.718 20 0 GCADHN COCCNC(=O)CN1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000625943073 1200933909 /nfs/dbraw/zinc/93/39/09/1200933909.db2.gz DLLZKRBCVCXBJZ-UHFFFAOYSA-N 0 3 391.472 0.081 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000509373442 1200934951 /nfs/dbraw/zinc/93/49/51/1200934951.db2.gz QPJWWHIBCJKMPN-UHFFFAOYSA-N 0 3 395.548 0.975 20 0 GCADHN O=C(NCC1(O)CCC2(CC1)OCCO2)NC1CCN([C@@H]2CCOC2)CC1 ZINC000923322777 1200948521 /nfs/dbraw/zinc/94/85/21/1200948521.db2.gz NSLXXJKMJBOJCO-MRXNPFEDSA-N 0 3 383.489 0.587 20 0 GCADHN O=C(NCC1(O)CCC2(CC1)OCCO2)NC1CCN([C@H]2CCOC2)CC1 ZINC000923322774 1200948658 /nfs/dbraw/zinc/94/86/58/1200948658.db2.gz NSLXXJKMJBOJCO-INIZCTEOSA-N 0 3 383.489 0.587 20 0 GCADHN COc1cc(OC)c2ncnc(NCCCCN3CCN(CCO)CC3)c2c1 ZINC000432837051 1200951719 /nfs/dbraw/zinc/95/17/19/1200951719.db2.gz YEFSHVNIJFUCHV-UHFFFAOYSA-N 0 3 389.500 1.449 20 0 GCADHN CNC(=O)[C@H](NC(=O)CN1CCC(C)(N2CCOCC2)CC1)c1ccccc1 ZINC000625959777 1200954256 /nfs/dbraw/zinc/95/42/56/1200954256.db2.gz VPORIZDCTWMATJ-LJQANCHMSA-N 0 3 388.512 0.777 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000509386551 1200977671 /nfs/dbraw/zinc/97/76/71/1200977671.db2.gz LUBHAFPYWHIJNN-UHFFFAOYSA-N 0 3 383.537 0.293 20 0 GCADHN COC(=O)[C@H]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)[C@H]1C(C)C ZINC000429410238 1200995086 /nfs/dbraw/zinc/99/50/86/1200995086.db2.gz QDOXRBQOYCXEPV-LPHOPBHVSA-N 0 3 391.468 0.686 20 0 GCADHN COc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1S(=O)(=O)N1CCCC1 ZINC000547277751 1201010953 /nfs/dbraw/zinc/01/09/53/1201010953.db2.gz YWIXCFZZCJGNIA-GOSISDBHSA-N 0 3 397.497 0.276 20 0 GCADHN COc1nccc(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000425815410 1201034451 /nfs/dbraw/zinc/03/44/51/1201034451.db2.gz SIRAFBPLMXNBBK-JKSUJKDBSA-N 0 3 381.436 1.157 20 0 GCADHN CN(C)C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000582611090 1201079071 /nfs/dbraw/zinc/07/90/71/1201079071.db2.gz LUMNNEQDCQUGSF-AWEZNQCLSA-N 0 3 389.435 0.462 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(c3nc(N)ns3)CC2)CC1 ZINC000494572927 1201088317 /nfs/dbraw/zinc/08/83/17/1201088317.db2.gz CIDINJGHTUSDEO-CQSZACIVSA-N 0 3 396.565 0.226 20 0 GCADHN CC[C@H](C)N[C@@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccco1 ZINC000622047446 1201115702 /nfs/dbraw/zinc/11/57/02/1201115702.db2.gz TTZCXAMWGKNEEU-STQMWFEESA-N 0 3 389.460 0.743 20 0 GCADHN C[C@H](NS(=O)(=O)N1CCNCC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000923591073 1201171393 /nfs/dbraw/zinc/17/13/93/1201171393.db2.gz MPFXELGCYRLSPE-ZDUSSCGKSA-N 0 3 382.486 0.145 20 0 GCADHN Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000563773221 1201179884 /nfs/dbraw/zinc/17/98/84/1201179884.db2.gz SGEPBJURBAWREE-INIZCTEOSA-N 0 3 397.483 0.720 20 0 GCADHN NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079159121 1201248150 /nfs/dbraw/zinc/24/81/50/1201248150.db2.gz LKACOMPTGSFOQV-YQFWSFKMSA-N 0 3 390.459 0.487 20 0 GCADHN C[C@@H](CCN1CCN(c2cnccn2)CC1)N1CCN(c2cnccn2)CC1 ZINC000269274377 1201251924 /nfs/dbraw/zinc/25/19/24/1201251924.db2.gz KUHGDCRSRFLNJD-SFHVURJKSA-N 0 3 382.516 0.989 20 0 GCADHN CNC(=O)c1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cc1 ZINC001079950328 1201259940 /nfs/dbraw/zinc/25/99/40/1201259940.db2.gz MYSJHCWZBMZFPD-OHDICMOHSA-N 0 3 388.512 0.702 20 0 GCADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001080113760 1201263779 /nfs/dbraw/zinc/26/37/79/1201263779.db2.gz PMCKVJIJAKNURW-XLNGHYISSA-N 0 3 392.500 0.428 20 0 GCADHN CCn1cc(CCN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)cn1 ZINC001080439442 1201273104 /nfs/dbraw/zinc/27/31/04/1201273104.db2.gz WEONFNUGOFMKOP-DDBAPUKQSA-N 0 3 391.516 0.518 20 0 GCADHN C[C@@H]1CN(Cc2ccc3c(c2)CCC(=O)N3C)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080460643 1201274728 /nfs/dbraw/zinc/27/47/28/1201274728.db2.gz KRKDETFZRPGWQX-VDNDLQMASA-N 0 3 384.480 0.654 20 0 GCADHN C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001080598571 1201278114 /nfs/dbraw/zinc/27/81/14/1201278114.db2.gz IZRJPUHOSZOQKI-NXWXRZEISA-N 0 3 386.500 0.701 20 0 GCADHN CCN(CC)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001080925152 1201285963 /nfs/dbraw/zinc/28/59/63/1201285963.db2.gz HUFYSSDXANEQCP-XYJFISCASA-N 0 3 381.517 0.613 20 0 GCADHN CCCN(C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001080925289 1201286028 /nfs/dbraw/zinc/28/60/28/1201286028.db2.gz NCTVJBFCAZYAQY-XYJFISCASA-N 0 3 381.517 0.613 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001080927683 1201287878 /nfs/dbraw/zinc/28/78/78/1201287878.db2.gz NEHGMSWVBNKFRK-ALYAQQCSSA-N 0 3 393.528 0.610 20 0 GCADHN CC(C)N(C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001080927970 1201289392 /nfs/dbraw/zinc/28/93/92/1201289392.db2.gz VPPLWGWLGUEHEV-OCABDXPQSA-N 0 3 379.501 0.220 20 0 GCADHN C[C@H]1CCCN1CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001081022500 1201293812 /nfs/dbraw/zinc/29/38/12/1201293812.db2.gz ATWCSWVBVVPSRQ-HZMVEIRTSA-N 0 3 379.501 0.508 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2nnn(Cc3cc(C)on3)c2C)CC1 ZINC000512318396 1201294637 /nfs/dbraw/zinc/29/46/37/1201294637.db2.gz AARXEXYGONPKPN-AWEZNQCLSA-N 0 3 389.504 0.935 20 0 GCADHN CO[C@@H]1CN(CCCc2cccc(C)c2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001082130349 1201321883 /nfs/dbraw/zinc/32/18/83/1201321883.db2.gz HNNUVIJUUVCYHK-FCGDIQPGSA-N 0 3 389.496 0.776 20 0 GCADHN NC(=O)CNC(=S)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000727082128 1201333161 /nfs/dbraw/zinc/33/31/61/1201333161.db2.gz LSPCPDGKSOJPJX-OAHLLOKOSA-N 0 3 376.530 0.275 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082517239 1201336614 /nfs/dbraw/zinc/33/66/14/1201336614.db2.gz CVTJHIZDGQALAS-QBPKDAKJSA-N 0 3 378.517 0.740 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC001082568870 1201337854 /nfs/dbraw/zinc/33/78/54/1201337854.db2.gz WHUSUVBKEKGWEL-LRHZJYQRSA-N 0 3 376.457 0.800 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082590216 1201339284 /nfs/dbraw/zinc/33/92/84/1201339284.db2.gz KASYXPKCNDTRMH-BRSBDYLESA-N 0 3 380.533 0.545 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001082639335 1201341995 /nfs/dbraw/zinc/34/19/95/1201341995.db2.gz CMDIZZGNGTYNNW-BZZMCLGOSA-N 0 3 379.501 0.344 20 0 GCADHN CCn1nnc(C)c1CN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1C ZINC001082658291 1201343619 /nfs/dbraw/zinc/34/36/19/1201343619.db2.gz VQLGTHFTONJRFG-QGHZAEEISA-N 0 3 377.489 0.594 20 0 GCADHN COc1ncc(CN[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2C)c(C)n1 ZINC001082746530 1201344733 /nfs/dbraw/zinc/34/47/33/1201344733.db2.gz MGSZIZVDRQGSAY-OEYIWLLWSA-N 0 3 375.473 0.632 20 0 GCADHN COc1coc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2C)cc1=O ZINC001082746156 1201348362 /nfs/dbraw/zinc/34/83/62/1201348362.db2.gz NEJKYMRHUSCWSV-REBRKWNGSA-N 0 3 377.441 0.309 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1NCc1cc(CO)ccc1F ZINC001082746222 1201348373 /nfs/dbraw/zinc/34/83/73/1201348373.db2.gz QMXUWIOHJASOPC-GMLZMKKNSA-N 0 3 377.460 0.979 20 0 GCADHN COc1ncc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2C)c(C)n1 ZINC001082746125 1201348383 /nfs/dbraw/zinc/34/83/83/1201348383.db2.gz LAMJQKWANTXVRZ-BQDHKBFISA-N 0 3 375.473 0.454 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC001082753444 1201348522 /nfs/dbraw/zinc/34/85/22/1201348522.db2.gz MUKJTPWWJHOVJY-JOCBIADPSA-N 0 3 390.528 0.550 20 0 GCADHN CC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001006198964 1201350003 /nfs/dbraw/zinc/35/00/03/1201350003.db2.gz KKZHYACAYTUZBV-HZMVEIRTSA-N 0 3 376.501 0.731 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)Nc2ccnn2-c2ccccc2)CC1 ZINC000536619276 1201370691 /nfs/dbraw/zinc/37/06/91/1201370691.db2.gz VIDQMVDEWJJVLJ-UHFFFAOYSA-N 0 3 384.484 0.955 20 0 GCADHN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCO[C@@H]2CN(CCCN3CCCC3=O)C[C@@H]21 ZINC001083111290 1201379060 /nfs/dbraw/zinc/37/90/60/1201379060.db2.gz YMFNZDZPEMSPGR-XYVMCAHJSA-N 0 3 387.484 0.437 20 0 GCADHN CCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)[C@H]2C1 ZINC001083151129 1201392965 /nfs/dbraw/zinc/39/29/65/1201392965.db2.gz KIDCBLODIINKIE-YDZRNGNQSA-N 0 3 381.517 0.578 20 0 GCADHN Cn1c2ccccc2n(CCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1=O ZINC000171340760 1201405291 /nfs/dbraw/zinc/40/52/91/1201405291.db2.gz CBUVRJGOXGOAIL-UHFFFAOYSA-N 0 3 399.495 0.497 20 0 GCADHN O=C(CN1CCN(CC2CCOCC2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000172424999 1201406883 /nfs/dbraw/zinc/40/68/83/1201406883.db2.gz KEFATNAMZLQMPF-UHFFFAOYSA-N 0 3 378.517 0.111 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(Cc4n[nH]c(C(C)(C)C)n4)C[C@H]32)O1 ZINC001084446646 1201413982 /nfs/dbraw/zinc/41/39/82/1201413982.db2.gz HKSDDIQEEXCDRC-KLHDSHLOSA-N 0 3 390.532 0.854 20 0 GCADHN Cn1cc(CCN2CC[C@@H]3CN(C(=O)CC[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)cn1 ZINC001084528873 1201416636 /nfs/dbraw/zinc/41/66/36/1201416636.db2.gz OLIXIFRFSQDVKD-TVFCKZIOSA-N 0 3 389.500 0.308 20 0 GCADHN COCCN1CCC[C@H](NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)C1 ZINC000729981470 1201422944 /nfs/dbraw/zinc/42/29/44/1201422944.db2.gz XQIZGYZSZSUWPI-SWLSCSKDSA-N 0 3 378.395 0.787 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CC[C@H](NC(=O)OC(C)(C)C)C1)C2=O ZINC000730257085 1201440612 /nfs/dbraw/zinc/44/06/12/1201440612.db2.gz FGVHFQFRPPYKIZ-ZDUSSCGKSA-N 0 3 381.477 0.559 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC1 ZINC000730385071 1201446812 /nfs/dbraw/zinc/44/68/12/1201446812.db2.gz MZMOQFZESTYYEG-UHFFFAOYSA-N 0 3 388.447 0.704 20 0 GCADHN COCCN1CC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000730785654 1201464802 /nfs/dbraw/zinc/46/48/02/1201464802.db2.gz DCXJBOCXARPCKY-HNAYVOBHSA-N 0 3 392.431 0.430 20 0 GCADHN O=C(CCN1CCOCC1)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000732113548 1201523040 /nfs/dbraw/zinc/52/30/40/1201523040.db2.gz XDTHXCLTMSFGDG-UHFFFAOYSA-N 0 3 388.512 0.851 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)NCc1ncc(Br)cn1 ZINC001119949557 1201541496 /nfs/dbraw/zinc/54/14/96/1201541496.db2.gz BNXOZNHAUQJWRA-UHFFFAOYSA-N 0 3 384.278 0.800 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000732460061 1201544197 /nfs/dbraw/zinc/54/41/97/1201544197.db2.gz XNAICAUFGORDTR-JKSUJKDBSA-N 0 3 382.505 0.866 20 0 GCADHN 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COC(=O)CNC(=O)[C@H](C)N[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168912979 1201928698 /nfs/dbraw/zinc/92/86/98/1201928698.db2.gz FLYDNXGLZRQZDX-ZFWWWQNUSA-N 0 3 377.441 0.454 20 0 GCADHN COC(=O)CN1CCN([C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168943568 1201929154 /nfs/dbraw/zinc/92/91/54/1201929154.db2.gz XCSBKAXCQATTTJ-KRWDZBQOSA-N 0 3 375.469 0.977 20 0 GCADHN CCOC(=O)C1CN([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC001169203279 1201936427 /nfs/dbraw/zinc/93/64/27/1201936427.db2.gz UNZRJCHSVVSMFU-ZDUSSCGKSA-N 0 3 391.472 0.487 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCc2nn(C)cc2C1 ZINC001169201925 1201936444 /nfs/dbraw/zinc/93/64/44/1201936444.db2.gz MYDFJRNBJRFBAR-AWEZNQCLSA-N 0 3 399.499 0.784 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)Cc1cncnc1 ZINC001169222139 1201939292 /nfs/dbraw/zinc/93/92/92/1201939292.db2.gz XMORHMSSSUHTQG-CQSZACIVSA-N 0 3 385.472 0.915 20 0 GCADHN CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1N[C@@H](CO)C(N)=O ZINC001169324694 1201941997 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1202003727 /nfs/dbraw/zinc/00/37/27/1202003727.db2.gz PUYPYVVOSQMLBB-BDXSIMOUSA-N 0 3 375.469 0.422 20 0 GCADHN O=C(COc1ccccc1CN1CCC(C(=O)NCCO)CC1)NCC1CC1 ZINC000768321848 1202010094 /nfs/dbraw/zinc/01/00/94/1202010094.db2.gz YKIHGLPZHMKEAC-UHFFFAOYSA-N 0 3 389.496 0.912 20 0 GCADHN C[C@@H](C(=O)NC(N)=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCCC1)C2 ZINC001109289243 1202013846 /nfs/dbraw/zinc/01/38/46/1202013846.db2.gz HILXQDXFSHDTKI-XGUBFFRZSA-N 0 3 379.505 0.556 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1)N1CCCCC1 ZINC000768717526 1202028049 /nfs/dbraw/zinc/02/80/49/1202028049.db2.gz UNPVYISDCCTAQD-CYBMUJFWSA-N 0 3 376.461 0.091 20 0 GCADHN Cn1ccnc1-c1csc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000768721991 1202028924 /nfs/dbraw/zinc/02/89/24/1202028924.db2.gz PILIGCZNMOXLNT-NEPJUHHUSA-N 0 3 390.469 0.462 20 0 GCADHN Cn1ccnc1-c1csc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000768721999 1202029111 /nfs/dbraw/zinc/02/91/11/1202029111.db2.gz PILIGCZNMOXLNT-VXGBXAGGSA-N 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COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(OC)ccc1OC)C2 ZINC001109422826 1202043797 /nfs/dbraw/zinc/04/37/97/1202043797.db2.gz KPZGNBFRJYZKMY-LMSBXDPUSA-N 0 3 378.469 0.975 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001109429359 1202047105 /nfs/dbraw/zinc/04/71/05/1202047105.db2.gz VPOWFOFFKRFHLY-WYUUTHIRSA-N 0 3 381.395 0.159 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cc1ccc(F)cc1 ZINC001109429395 1202047171 /nfs/dbraw/zinc/04/71/71/1202047171.db2.gz XFEFCRASEPHBPI-NCOADZHNSA-N 0 3 377.460 0.962 20 0 GCADHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NCCCOC ZINC001109462262 1202056446 /nfs/dbraw/zinc/05/64/46/1202056446.db2.gz HQFXOWNRKWORLK-NCOADZHNSA-N 0 3 382.549 0.979 20 0 GCADHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCO[C@H](C)C1 ZINC001109464373 1202056918 /nfs/dbraw/zinc/05/69/18/1202056918.db2.gz XVCHYQQWCXXNKQ-NCOADZHNSA-N 0 3 380.533 0.686 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCNC1=O)C2 ZINC001109484039 1202059379 /nfs/dbraw/zinc/05/93/79/1202059379.db2.gz BFXDYMMJWODQKR-QZWWFDLISA-N 0 3 382.505 0.157 20 0 GCADHN O=C(CN1CCCNC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO[C@@H]1CCOC1 ZINC001109484273 1202059559 /nfs/dbraw/zinc/05/95/59/1202059559.db2.gz NQVWEYSAELFHKW-NCOADZHNSA-N 0 3 380.489 0.319 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1cccc(OC)c1)C2 ZINC001109481388 1202060899 /nfs/dbraw/zinc/06/08/99/1202060899.db2.gz CVOIJQKCNPOLIU-NEPXVJNWSA-N 0 3 378.469 0.941 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(OC)cccc1OC)C2 ZINC001109490296 1202063768 /nfs/dbraw/zinc/06/37/68/1202063768.db2.gz PBSUCXWFCNJHAM-OHFALNGGSA-N 0 3 378.469 0.975 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3sccn3c1=O)C2 ZINC001109496717 1202065003 /nfs/dbraw/zinc/06/50/03/1202065003.db2.gz LCEVNLYQQUJQJF-XWUBHJNHSA-N 0 3 378.454 0.098 20 0 GCADHN CCOC(=O)C1=C(CN[C@@H]2CCCC[C@H]2N2CCOCC2)NC(=O)N[C@H]1C ZINC000769798339 1202072298 /nfs/dbraw/zinc/07/22/98/1202072298.db2.gz AHLAIFIESBWEME-SQWLQELKSA-N 0 3 380.489 0.738 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nccn1C)C2 ZINC001109549313 1202076881 /nfs/dbraw/zinc/07/68/81/1202076881.db2.gz VHQWJAJCEYOCPE-IKGGRYGDSA-N 0 3 377.489 0.227 20 0 GCADHN NC(=O)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@@H]2CCOC2)co1 ZINC001109550404 1202076957 /nfs/dbraw/zinc/07/69/57/1202076957.db2.gz AHHFNPBXDXWFFY-WCVJEAGWSA-N 0 3 377.441 0.909 20 0 GCADHN NC(=O)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@H]2CCOC2)co1 ZINC001109550403 1202077017 /nfs/dbraw/zinc/07/70/17/1202077017.db2.gz AHHFNPBXDXWFFY-UGUYLWEFSA-N 0 3 377.441 0.909 20 0 GCADHN Cn1cnn(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H]2CC(C)(C)CO2)c1=O ZINC001109556007 1202078194 /nfs/dbraw/zinc/07/81/94/1202078194.db2.gz NSIJFYRUYFHIET-UGUYLWEFSA-N 0 3 377.489 0.509 20 0 GCADHN CCC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCOC)S(N)(=O)=O ZINC001109559458 1202078837 /nfs/dbraw/zinc/07/88/37/1202078837.db2.gz COFLRZJMIAVYHH-FXUDXRNXSA-N 0 3 375.535 0.982 20 0 GCADHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000769994213 1202081708 /nfs/dbraw/zinc/08/17/08/1202081708.db2.gz IHQNEWMWFSFZKW-QBPKDAKJSA-N 0 3 377.489 0.738 20 0 GCADHN C[C@H](CNC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)CN1CCN(C)CC1 ZINC000770033308 1202083028 /nfs/dbraw/zinc/08/30/28/1202083028.db2.gz YLOQONIAJHBSHU-SQNIBIBYSA-N 0 3 392.548 0.759 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCCCC1)C2 ZINC001109592362 1202087298 /nfs/dbraw/zinc/08/72/98/1202087298.db2.gz PVLNBKAVKKKGQZ-WCVJEAGWSA-N 0 3 378.477 0.061 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@@H](N[C@@H]2CCNC2=O)C[C@H]1C(=O)N1CCSC1 ZINC001170013266 1202087451 /nfs/dbraw/zinc/08/74/51/1202087451.db2.gz FJVKBVMBBSCFIO-XQQFMLRXSA-N 0 3 384.502 0.375 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(C)C ZINC001109632762 1202094832 /nfs/dbraw/zinc/09/48/32/1202094832.db2.gz BLEQOYFGFJNBEH-WCVJEAGWSA-N 0 3 378.473 0.859 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(C)C ZINC001109632762 1202094833 /nfs/dbraw/zinc/09/48/33/1202094833.db2.gz BLEQOYFGFJNBEH-WCVJEAGWSA-N 0 3 378.473 0.859 20 0 GCADHN O=C(CCC(=O)N1CCN(c2ncccn2)CC1)OCCN1CCCCC1 ZINC000770407155 1202097350 /nfs/dbraw/zinc/09/73/50/1202097350.db2.gz YLVYQUVTXQMOTA-UHFFFAOYSA-N 0 3 375.473 0.935 20 0 GCADHN CCOC(=O)N1CC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000770540398 1202103261 /nfs/dbraw/zinc/10/32/61/1202103261.db2.gz UVPDTXJEIMVZKC-OAHLLOKOSA-N 0 3 381.477 0.167 20 0 GCADHN COC(=O)Cn1cc([C@H](C)OC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)nn1 ZINC000770700377 1202109413 /nfs/dbraw/zinc/10/94/13/1202109413.db2.gz JYIWDCUGEUNLIX-NRPADANISA-N 0 3 378.307 0.512 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1)C1(CF)CCOCC1 ZINC001109723047 1202110076 /nfs/dbraw/zinc/11/00/76/1202110076.db2.gz QROZCKBGFOYISD-QZWWFDLISA-N 0 3 380.464 0.732 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CCc1ccccc1)C2 ZINC001109729174 1202113293 /nfs/dbraw/zinc/11/32/93/1202113293.db2.gz XLCGBKXPKAZXLJ-ZRNYENFQSA-N 0 3 375.513 0.890 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)ccc1F ZINC000770804545 1202114066 /nfs/dbraw/zinc/11/40/66/1202114066.db2.gz WWZHTMBMBYCMIN-ZDUSSCGKSA-N 0 3 394.447 0.693 20 0 GCADHN O=C(CCc1cnn[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCS(=O)(=O)C1 ZINC001109741616 1202116260 /nfs/dbraw/zinc/11/62/60/1202116260.db2.gz RXFBXONARVSYAX-OJLVUWQFSA-N 0 3 381.502 0.284 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)[nH]c1=O)C2 ZINC001109761887 1202118872 /nfs/dbraw/zinc/11/88/72/1202118872.db2.gz CSSQNRGJQREQSP-PVAVHDDUSA-N 0 3 376.457 0.583 20 0 GCADHN CC(C)OCCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnc[nH]1)C2 ZINC001109763164 1202119821 /nfs/dbraw/zinc/11/98/21/1202119821.db2.gz NBXMBWWZBQFXAI-IKGGRYGDSA-N 0 3 377.489 0.605 20 0 GCADHN O=C(Cc1c[nH]cn1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001109763603 1202120032 /nfs/dbraw/zinc/12/00/32/1202120032.db2.gz SWHNWMUALYERIJ-FZCLSBEQSA-N 0 3 378.473 0.230 20 0 GCADHN C[C@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C2 ZINC001109772725 1202120928 /nfs/dbraw/zinc/12/09/28/1202120928.db2.gz RAXVSYLDAVAXTI-SIXLDLHFSA-N 0 3 380.514 0.865 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(N3CCOCC3)CCCC1)C2 ZINC001109776119 1202121600 /nfs/dbraw/zinc/12/16/00/1202121600.db2.gz BNKBWUONLAGRQO-OWSLCNJRSA-N 0 3 381.517 0.360 20 0 GCADHN CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001109798644 1202124280 /nfs/dbraw/zinc/12/42/80/1202124280.db2.gz LZFFHNCWNWHBCU-UGUYLWEFSA-N 0 3 379.505 0.426 20 0 GCADHN C[C@@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCOCC1)C2 ZINC001109823121 1202130727 /nfs/dbraw/zinc/13/07/27/1202130727.db2.gz PSIZDYANBZUULM-WCVJEAGWSA-N 0 3 378.477 0.061 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)C1CCCCC1)C2 ZINC001109838354 1202131203 /nfs/dbraw/zinc/13/12/03/1202131203.db2.gz DVXBQMSTDDNSIE-OWSLCNJRSA-N 0 3 381.517 0.802 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)C1CCCCC1)C2 ZINC001109838353 1202131206 /nfs/dbraw/zinc/13/12/06/1202131206.db2.gz DVXBQMSTDDNSIE-BDXSIMOUSA-N 0 3 381.517 0.802 20 0 GCADHN CCOC(=O)N1CC[C@@H](NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000771378511 1202136196 /nfs/dbraw/zinc/13/61/96/1202136196.db2.gz IMUYGHOKRGNMQI-OAHLLOKOSA-N 0 3 383.493 0.413 20 0 GCADHN CCCCCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC ZINC001109858217 1202137777 /nfs/dbraw/zinc/13/77/77/1202137777.db2.gz ZWWPOUYQWKJBIU-PMPSAXMXSA-N 0 3 381.521 0.676 20 0 GCADHN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000771583860 1202148228 /nfs/dbraw/zinc/14/82/28/1202148228.db2.gz VSGLUDJIFVKLMY-AWEZNQCLSA-N 0 3 393.465 0.201 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000771562330 1202149371 /nfs/dbraw/zinc/14/93/71/1202149371.db2.gz NCEBFMCEMKQSRF-UHFFFAOYSA-N 0 3 391.457 0.805 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnccn1)C2 ZINC001109932196 1202152656 /nfs/dbraw/zinc/15/26/56/1202152656.db2.gz FNQZVCCZTSCHIQ-BDXSIMOUSA-N 0 3 378.473 0.155 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000771657540 1202153726 /nfs/dbraw/zinc/15/37/26/1202153726.db2.gz NUQOXXNXBSYEAM-XJKSGUPXSA-N 0 3 391.438 0.702 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cncn1)C2 ZINC001109931360 1202154873 /nfs/dbraw/zinc/15/48/73/1202154873.db2.gz RERPPKLWTCXCMP-OWSLCNJRSA-N 0 3 379.505 0.813 20 0 GCADHN O=C(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O)NCC1CC1 ZINC001109944505 1202155779 /nfs/dbraw/zinc/15/57/79/1202155779.db2.gz JZFCFGZNXBCYIJ-IKGGRYGDSA-N 0 3 376.501 0.637 20 0 GCADHN CC(C)CN(C(=O)CN[C@@H](CO)C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000771800975 1202160409 /nfs/dbraw/zinc/16/04/09/1202160409.db2.gz HNUHQKQCOBMBNZ-AWEZNQCLSA-N 0 3 395.504 0.537 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCN(CC[S@](C)=O)CC1)c1ccccc1 ZINC000771764239 1202161553 /nfs/dbraw/zinc/16/15/53/1202161553.db2.gz XKCRFFCZPDOBKG-DWXRJYCRSA-N 0 3 380.558 0.402 20 0 GCADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@@H](CO)C1CC1 ZINC000771804265 1202163147 /nfs/dbraw/zinc/16/31/47/1202163147.db2.gz DELSXCXUCQEXMZ-NHYWBVRUSA-N 0 3 385.486 0.633 20 0 GCADHN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN[C@@H](CO)C1CC1 ZINC000771814531 1202163407 /nfs/dbraw/zinc/16/34/07/1202163407.db2.gz ANECNWWEHDXHAN-INIZCTEOSA-N 0 3 381.498 0.577 20 0 GCADHN CCCNC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001109997651 1202170749 /nfs/dbraw/zinc/17/07/49/1202170749.db2.gz DVVANHNVHRLOLU-QZWWFDLISA-N 0 3 377.489 0.272 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn(C)c1=O)C2 ZINC001109996690 1202171979 /nfs/dbraw/zinc/17/19/79/1202171979.db2.gz NBCPWOXZPLNUKL-LMSBXDPUSA-N 0 3 377.485 0.754 20 0 GCADHN O=C(Cn1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cn1)NC1CCCC1 ZINC000772071205 1202174241 /nfs/dbraw/zinc/17/42/41/1202174241.db2.gz RFZVPGCOEQCRKL-IRXDYDNUSA-N 0 3 375.473 0.535 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)Nc1nnc(C)s1 ZINC001110016142 1202175249 /nfs/dbraw/zinc/17/52/49/1202175249.db2.gz AFBFZBCAIFVLCW-RDBSUJKOSA-N 0 3 380.518 0.848 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@H]1CCCO1 ZINC001110034820 1202178032 /nfs/dbraw/zinc/17/80/32/1202178032.db2.gz PMVQYQAAZXDRMA-JHNDHUHGSA-N 0 3 375.473 0.277 20 0 GCADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)N(C)CCN2CCCC2)n1 ZINC000787560716 1205393390 /nfs/dbraw/zinc/39/33/90/1205393390.db2.gz QIOGDRCJVZEUGR-UHFFFAOYSA-N 0 3 399.517 0.119 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000787753267 1205399719 /nfs/dbraw/zinc/39/97/19/1205399719.db2.gz XQCSGOOEDCJNMT-GJZGRUSLSA-N 0 3 382.505 0.960 20 0 GCADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000787751203 1205399765 /nfs/dbraw/zinc/39/97/65/1205399765.db2.gz KUTLJUQWICGFTC-INIZCTEOSA-N 0 3 382.505 0.914 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000787751237 1205399896 /nfs/dbraw/zinc/39/98/96/1205399896.db2.gz LNXJCTANWCPUJN-QWHCGFSZSA-N 0 3 392.422 0.599 20 0 GCADHN CCc1cc(CNC(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)n[nH]1 ZINC000787736137 1205401467 /nfs/dbraw/zinc/40/14/67/1205401467.db2.gz IVFPXNIMQPOHDJ-IBGZPJMESA-N 0 3 398.511 0.693 20 0 GCADHN COC(=O)[C@H](O)C1CCN([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787732713 1205401516 /nfs/dbraw/zinc/40/15/16/1205401516.db2.gz ZHJYMUSNGIUCFS-QMTMVMCOSA-N 0 3 386.489 0.993 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000788246994 1205417473 /nfs/dbraw/zinc/41/74/73/1205417473.db2.gz TXHCFAIWDTZKDS-SJKOYZFVSA-N 0 3 388.534 0.569 20 0 GCADHN COc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000788404404 1205422896 /nfs/dbraw/zinc/42/28/96/1205422896.db2.gz XOSFGLREIJNJKW-IIDMSEBBSA-N 0 3 391.468 0.558 20 0 GCADHN O=C(NCc1ccc(Cn2cccn2)cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000788465414 1205423578 /nfs/dbraw/zinc/42/35/78/1205423578.db2.gz XIHWKAARLAKOAM-MOPGFXCFSA-N 0 3 397.479 0.527 20 0 GCADHN CCOC(=O)[C@@H]1[C@@H](NC[C@H]2CCS(=O)(=O)C2)CCN1C(=O)OC(C)(C)C ZINC000788692030 1205427978 /nfs/dbraw/zinc/42/79/78/1205427978.db2.gz OWCLRTZIUWLYSK-RDBSUJKOSA-N 0 3 390.502 0.952 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)CC1 ZINC000788884915 1205431643 /nfs/dbraw/zinc/43/16/43/1205431643.db2.gz CUMDPVKEPZHLQW-UHFFFAOYSA-N 0 3 391.493 0.990 20 0 GCADHN CN(CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)OC(C)(C)C ZINC000788893650 1205432049 /nfs/dbraw/zinc/43/20/49/1205432049.db2.gz SZAJCRSDAJOSJF-LSDHHAIUSA-N 0 3 398.504 0.339 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)n[nH]c1C)C2 ZINC001110088604 1205437755 /nfs/dbraw/zinc/43/77/55/1205437755.db2.gz XODLMFRBUNTUJJ-LMSBXDPUSA-N 0 3 380.489 0.314 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000746801447 1205438595 /nfs/dbraw/zinc/43/85/95/1205438595.db2.gz JMQKYPUZMKGEPV-CYBMUJFWSA-N 0 3 387.440 0.277 20 0 GCADHN COc1ccc(CCS(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000790016759 1205454752 /nfs/dbraw/zinc/45/47/52/1205454752.db2.gz RCGKGDBMFTWBBS-UHFFFAOYSA-N 0 3 395.525 0.808 20 0 GCADHN C[C@@H](NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC000790163966 1205457916 /nfs/dbraw/zinc/45/79/16/1205457916.db2.gz HXRYBXSLSFELHD-NVXWUHKLSA-N 0 3 386.504 0.949 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000790185365 1205458235 /nfs/dbraw/zinc/45/82/35/1205458235.db2.gz RCVHJGIQQMMNAV-HUUCEWRRSA-N 0 3 399.536 0.016 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2nccn2C)C1)CN1CCN(C)CC1 ZINC000790186036 1205458464 /nfs/dbraw/zinc/45/84/64/1205458464.db2.gz UDELSOJBPZBTCG-IAGOWNOFSA-N 0 3 390.532 0.126 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H](C)COc1ccccc1)CN1CCN(C)CC1 ZINC000790193913 1205458473 /nfs/dbraw/zinc/45/84/73/1205458473.db2.gz CTGIKHLOCZPEJN-IAGOWNOFSA-N 0 3 376.501 0.570 20 0 GCADHN C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000790193595 1205458840 /nfs/dbraw/zinc/45/88/40/1205458840.db2.gz CTGIKHLOCZPEJN-DLBZAZTESA-N 0 3 376.501 0.570 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)CC2(C)OCCO2)CC1 ZINC000790207642 1205458947 /nfs/dbraw/zinc/45/89/47/1205458947.db2.gz BPJNVSDCZPHEGI-IRXDYDNUSA-N 0 3 398.548 0.282 20 0 GCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000790196053 1205458996 /nfs/dbraw/zinc/45/89/96/1205458996.db2.gz QPRNLQBYTIMKTH-RDTXWAMCSA-N 0 3 388.516 0.278 20 0 GCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000790196033 1205459030 /nfs/dbraw/zinc/45/90/30/1205459030.db2.gz QPRNLQBYTIMKTH-KBXCAEBGSA-N 0 3 388.516 0.278 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000790483041 1205465531 /nfs/dbraw/zinc/46/55/31/1205465531.db2.gz PZCYDAMRLAGEGK-HUUCEWRRSA-N 0 3 380.489 0.713 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000790496008 1205466300 /nfs/dbraw/zinc/46/63/00/1205466300.db2.gz XUEZXUARYBCXJY-SOUVJXGZSA-N 0 3 396.488 0.091 20 0 GCADHN CC(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000747010465 1205477308 /nfs/dbraw/zinc/47/73/08/1205477308.db2.gz GLRMQRQAPXOZCY-AWEZNQCLSA-N 0 3 392.456 0.618 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC000792263440 1205485878 /nfs/dbraw/zinc/48/58/78/1205485878.db2.gz YVZPZZRVXVBKPN-LSDHHAIUSA-N 0 3 397.520 0.848 20 0 GCADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000792971523 1205495281 /nfs/dbraw/zinc/49/52/81/1205495281.db2.gz BIBICPMSUYIABB-INIZCTEOSA-N 0 3 384.521 0.502 20 0 GCADHN O=C(NCCc1cnccn1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000793492044 1205499830 /nfs/dbraw/zinc/49/98/30/1205499830.db2.gz UYTSUACMNSTHCW-LJQANCHMSA-N 0 3 397.479 0.543 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000793629462 1205501271 /nfs/dbraw/zinc/50/12/71/1205501271.db2.gz AAADWFWPRGRJNB-OAHLLOKOSA-N 0 3 382.505 0.960 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000793675407 1205502335 /nfs/dbraw/zinc/50/23/35/1205502335.db2.gz OGSXXADIYULAKG-SSHXOBKSSA-N 0 3 381.473 0.204 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)N1CCCCC1 ZINC000793713901 1205503007 /nfs/dbraw/zinc/50/30/07/1205503007.db2.gz PRRRSCRZKNJRDL-WMZOPIPTSA-N 0 3 386.496 0.894 20 0 GCADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793712439 1205503184 /nfs/dbraw/zinc/50/31/84/1205503184.db2.gz NPELDFMVTMRDEM-IRXDYDNUSA-N 0 3 380.533 0.988 20 0 GCADHN O=C(NCCCOCCc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793715950 1205503475 /nfs/dbraw/zinc/50/34/75/1205503475.db2.gz BDMLSWTXQGODNI-RTBURBONSA-N 0 3 389.496 0.731 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793699882 1205504377 /nfs/dbraw/zinc/50/43/77/1205504377.db2.gz NTAXWJVBGIZZKU-NWDGAFQWSA-N 0 3 378.395 0.256 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)N1CCCCC1 ZINC000793707656 1205504669 /nfs/dbraw/zinc/50/46/69/1205504669.db2.gz IZYQKRYDNYVSQA-IXDOHACOSA-N 0 3 391.516 0.683 20 0 GCADHN Cc1cccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000793800991 1205506490 /nfs/dbraw/zinc/50/64/90/1205506490.db2.gz QSGIEQIUCRVHDS-LZLYRXPVSA-N 0 3 375.469 0.858 20 0 GCADHN CN(CCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000793844929 1205507077 /nfs/dbraw/zinc/50/70/77/1205507077.db2.gz OGMNZUATULLRHS-RTBURBONSA-N 0 3 388.512 0.999 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000793818817 1205507588 /nfs/dbraw/zinc/50/75/88/1205507588.db2.gz XRUTZHMIGDEGNW-ZDUSSCGKSA-N 0 3 386.493 0.243 20 0 GCADHN COc1ccc(OCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000793863148 1205508195 /nfs/dbraw/zinc/50/81/95/1205508195.db2.gz CFWRAQREDOMHJY-CRAIPNDOSA-N 0 3 391.468 0.560 20 0 GCADHN Cc1nc(Cn2nnc(NC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)c2C)no1 ZINC000794369849 1205513517 /nfs/dbraw/zinc/51/35/17/1205513517.db2.gz SUUAQFKWHOAKRK-QWHCGFSZSA-N 0 3 376.421 0.311 20 0 GCADHN O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001110102224 1205513634 /nfs/dbraw/zinc/51/36/34/1205513634.db2.gz WLUPTKVSLMEBPH-KBXIAJHMSA-N 0 3 379.423 0.744 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794398516 1205514430 /nfs/dbraw/zinc/51/44/30/1205514430.db2.gz CPDABCXNLIPWOY-JKSUJKDBSA-N 0 3 384.521 0.501 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)OCC(C)C)CC1 ZINC000804420469 1205515236 /nfs/dbraw/zinc/51/52/36/1205515236.db2.gz JECPFKQPUVFVPT-INIZCTEOSA-N 0 3 382.505 0.914 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000804424611 1205515451 /nfs/dbraw/zinc/51/54/51/1205515451.db2.gz MGHJHLAJPOXJTR-OAHLLOKOSA-N 0 3 382.505 0.960 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000804416499 1205515969 /nfs/dbraw/zinc/51/59/69/1205515969.db2.gz RVVIJVYPNHCIMV-RCCFBDPRSA-N 0 3 391.516 0.825 20 0 GCADHN O=C([C@@H]1C[C@H]1c1ccsc1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129914926 1205523240 /nfs/dbraw/zinc/52/32/40/1205523240.db2.gz NYZBMSLJDWQOSI-HZMVEIRTSA-N 0 3 391.497 0.494 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000804754613 1205523541 /nfs/dbraw/zinc/52/35/41/1205523541.db2.gz BOSMWOOLTWXEMG-HNNXBMFYSA-N 0 3 382.505 0.960 20 0 GCADHN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804732371 1205524117 /nfs/dbraw/zinc/52/41/17/1205524117.db2.gz MIABBXYDEAIJRC-CVEARBPZSA-N 0 3 394.516 0.960 20 0 GCADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000804732066 1205524405 /nfs/dbraw/zinc/52/44/05/1205524405.db2.gz ALDMUOXAVBWGJW-INIZCTEOSA-N 0 3 380.489 0.524 20 0 GCADHN CC(C)(C)[S@](=O)CCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000804735557 1205524474 /nfs/dbraw/zinc/52/44/74/1205524474.db2.gz DROKBTVQQHDPPI-AREMUKBSSA-N 0 3 387.546 0.411 20 0 GCADHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804732994 1205524531 /nfs/dbraw/zinc/52/45/31/1205524531.db2.gz AAFMBWGFVQQBJV-PVAVHDDUSA-N 0 3 394.516 0.960 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NCCOCC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129898398 1205524536 /nfs/dbraw/zinc/52/45/36/1205524536.db2.gz SWVAQQFTPFCUHE-RANZSIQMSA-N 0 3 393.488 0.240 20 0 GCADHN CC(C)NC(=O)NCCN[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@@H]1n1ccnn1 ZINC001129936601 1205524675 /nfs/dbraw/zinc/52/46/75/1205524675.db2.gz GXXWCMCDWXGKPU-OAFZBRQQSA-N 0 3 389.504 0.517 20 0 GCADHN COCCOCCN[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@@H]1n1ccnn1 ZINC001129938418 1205524876 /nfs/dbraw/zinc/52/48/76/1205524876.db2.gz XLZILTQIONXRFP-FJIDUMEYSA-N 0 3 377.489 0.719 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129937861 1205524938 /nfs/dbraw/zinc/52/49/38/1205524938.db2.gz IRTBXAPRVJPPAE-MFAUZPSPSA-N 0 3 397.426 0.325 20 0 GCADHN O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129939413 1205525238 /nfs/dbraw/zinc/52/52/38/1205525238.db2.gz FBTNDFSKTWMEBO-QXCZDIPSSA-N 0 3 389.500 0.861 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129941059 1205525402 /nfs/dbraw/zinc/52/54/02/1205525402.db2.gz HTYKXENEKNTTQI-BDXSIMOUSA-N 0 3 377.489 0.861 20 0 GCADHN CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCCNC(=O)NC(C)C)[C@@H](n2ccnn2)C1 ZINC001129997444 1205527365 /nfs/dbraw/zinc/52/73/65/1205527365.db2.gz MRGHQJKRCCYJNS-VQHPVUNQSA-N 0 3 391.520 0.763 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130014660 1205528401 /nfs/dbraw/zinc/52/84/01/1205528401.db2.gz YNXIIRXPHKHEAX-DZVNLGKHSA-N 0 3 375.473 0.756 20 0 GCADHN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000804927917 1205528880 /nfs/dbraw/zinc/52/88/80/1205528880.db2.gz KGLZNYKHTAAJPM-HZPDHXFCSA-N 0 3 382.505 0.912 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000747237615 1205534373 /nfs/dbraw/zinc/53/43/73/1205534373.db2.gz WVBXPANETKFQCO-SJORKVTESA-N 0 3 379.482 0.820 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000747237614 1205534426 /nfs/dbraw/zinc/53/44/26/1205534426.db2.gz WVBXPANETKFQCO-IAGOWNOFSA-N 0 3 379.482 0.820 20 0 GCADHN Cc1nn(-c2ccccn2)c(C)c1CC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001130497332 1205550139 /nfs/dbraw/zinc/55/01/39/1205550139.db2.gz RLCBVLJRJNGLBO-UHFFFAOYSA-N 0 3 384.484 0.659 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(=O)OCC(C)C)CC1 ZINC000806328689 1205554592 /nfs/dbraw/zinc/55/45/92/1205554592.db2.gz NKMMTYGYUZBQCP-MRXNPFEDSA-N 0 3 382.505 0.914 20 0 GCADHN Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)nc12 ZINC000806537732 1205558324 /nfs/dbraw/zinc/55/83/24/1205558324.db2.gz VCZRVFVZHNCOQT-SJORKVTESA-N 0 3 385.468 0.281 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC1COC(C)(C)OC1 ZINC000806656823 1205560775 /nfs/dbraw/zinc/56/07/75/1205560775.db2.gz QABGQBJMGWJJMH-UHFFFAOYSA-N 0 3 381.448 0.984 20 0 GCADHN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@H]3CN4CCC[C@H]4CO3)c(C)c12 ZINC000747341672 1205560994 /nfs/dbraw/zinc/56/09/94/1205560994.db2.gz GYJBQUBEELGRKV-GJZGRUSLSA-N 0 3 387.484 0.790 20 0 GCADHN CNC(=O)OC[C@@H]1CCCCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000806675670 1205561448 /nfs/dbraw/zinc/56/14/48/1205561448.db2.gz UKZLCGKAHXJDHC-JKSUJKDBSA-N 0 3 397.520 0.849 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1(C)C ZINC000806698150 1205562900 /nfs/dbraw/zinc/56/29/00/1205562900.db2.gz PKLBTBVOEQKAJV-INIZCTEOSA-N 0 3 396.532 0.321 20 0 GCADHN O=C(NC[C@@H]1COC2(CCOCC2)O1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000806712942 1205564845 /nfs/dbraw/zinc/56/48/45/1205564845.db2.gz FAYPVAYODYKQHX-QGZVFWFLSA-N 0 3 395.500 0.502 20 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1205582960 /nfs/dbraw/zinc/58/29/60/1205582960.db2.gz UBJJKHBODAAMQO-GHTZIAJQSA-N 0 3 391.512 0.970 20 0 GCADHN Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NC/C=C\Cl ZINC001131070271 1205591417 /nfs/dbraw/zinc/59/14/17/1205591417.db2.gz NJDLCJFNZJWABC-IDHBQFLESA-N 0 3 381.864 0.090 20 0 GCADHN Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NC/C=C\Cl ZINC001131073553 1205593725 /nfs/dbraw/zinc/59/37/25/1205593725.db2.gz GZYFHJOFQBCPBE-UAWQTTJXSA-N 0 3 379.892 0.958 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCCCS(C)(=O)=O)C1 ZINC001131076749 1205593935 /nfs/dbraw/zinc/59/39/35/1205593935.db2.gz ZAKGAPRACPLDHH-KLHDSHLOSA-N 0 3 382.530 0.785 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCc1ccnn1C ZINC000808019518 1205596907 /nfs/dbraw/zinc/59/69/07/1205596907.db2.gz BSBBNTHGJQSUQV-UHFFFAOYSA-N 0 3 393.438 0.947 20 0 GCADHN CCOC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(C3CCOCC3)CC2)C1=O ZINC000808165407 1205600219 /nfs/dbraw/zinc/60/02/19/1205600219.db2.gz 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O=C(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)[C@H]1CCc2[nH]cnc2C1 ZINC001177182745 1205763943 /nfs/dbraw/zinc/76/39/43/1205763943.db2.gz QQPBHOSBNMEPNQ-ZDUSSCGKSA-N 0 3 389.481 0.461 20 0 GCADHN O=C(CCNC(=O)[C@@H]1CCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001110201879 1205764454 /nfs/dbraw/zinc/76/44/54/1205764454.db2.gz WMPGITIVOOAYFF-UBDQQSCGSA-N 0 3 379.501 0.962 20 0 GCADHN O=C(NC1CC1)[C@H]1CCCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000067485881 1205766529 /nfs/dbraw/zinc/76/65/29/1205766529.db2.gz LCKWTVNKWGALDJ-RDJZCZTQSA-N 0 3 386.452 0.855 20 0 GCADHN Cn1cnnc1CCC(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001177429373 1205770125 /nfs/dbraw/zinc/77/01/25/1205770125.db2.gz CNQMPKYSONKPQN-CABCVRRESA-N 0 3 392.504 0.805 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)[C@H](Cn1cccn1)NC(=O)OC(C)(C)C ZINC001177704821 1205774870 /nfs/dbraw/zinc/77/48/70/1205774870.db2.gz YSYKUNZXNOKGGE-GJZGRUSLSA-N 0 3 381.477 0.565 20 0 GCADHN CN1C[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)(C)C1 ZINC001178703628 1205792665 /nfs/dbraw/zinc/79/26/65/1205792665.db2.gz IFFXWQQDVPARQG-MRXNPFEDSA-N 0 3 381.498 0.778 20 0 GCADHN CN1CCC(CO)(NC(=O)C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O2)CC1 ZINC001179097399 1205802515 /nfs/dbraw/zinc/80/25/15/1205802515.db2.gz KQRVHSTVZSWCBM-ARFHVFGLSA-N 0 3 397.516 0.974 20 0 GCADHN CN1CCC[C@@](C)(NC(=O)[C@@H]2NC(=O)CC23CN(C(=O)OC(C)(C)C)C3)C1 ZINC001179225104 1205806475 /nfs/dbraw/zinc/80/64/75/1205806475.db2.gz UISHMHZJFOXYHO-KBXCAEBGSA-N 0 3 380.489 0.713 20 0 GCADHN NS(=O)(=O)C1(C(=O)N2CCCN(Cc3ccccc3)CCOCC2)CC1 ZINC001179298521 1205807896 /nfs/dbraw/zinc/80/78/96/1205807896.db2.gz FCAMYFOKEILYSH-UHFFFAOYSA-N 0 3 381.498 0.559 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001179373672 1205809247 /nfs/dbraw/zinc/80/92/47/1205809247.db2.gz XTPKUHZXBIXWMH-QLFBSQMISA-N 0 3 383.489 0.441 20 0 GCADHN O=C1c2ccccc2C(=O)N1Cc1n[nH]cc1CN[C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001179602790 1205812464 /nfs/dbraw/zinc/81/24/64/1205812464.db2.gz IKBZQBDYYBEEDN-RBJNIJBHSA-N 0 3 384.436 0.960 20 0 GCADHN Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001180027047 1205816828 /nfs/dbraw/zinc/81/68/28/1205816828.db2.gz BNHQALUIFSXEAN-JYJNAYRXSA-N 0 3 385.472 0.346 20 0 GCADHN Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001180027047 1205816830 /nfs/dbraw/zinc/81/68/30/1205816830.db2.gz BNHQALUIFSXEAN-JYJNAYRXSA-N 0 3 385.472 0.346 20 0 GCADHN Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001180027048 1205816993 /nfs/dbraw/zinc/81/69/93/1205816993.db2.gz BNHQALUIFSXEAN-OWCLPIDISA-N 0 3 385.472 0.346 20 0 GCADHN Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001180027048 1205816994 /nfs/dbraw/zinc/81/69/94/1205816994.db2.gz BNHQALUIFSXEAN-OWCLPIDISA-N 0 3 385.472 0.346 20 0 GCADHN CN(C)CCN(C(=O)Cc1nc(N)n[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001180246045 1205819784 /nfs/dbraw/zinc/81/97/84/1205819784.db2.gz DYQIUZMPWSGSKM-ZDUSSCGKSA-N 0 3 395.508 0.719 20 0 GCADHN CCN(CC)CC(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001180388930 1205823367 /nfs/dbraw/zinc/82/33/67/1205823367.db2.gz RJAYPLHJZREPOT-UHFFFAOYSA-N 0 3 376.505 0.034 20 0 GCADHN CCN(CC)CC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001180389617 1205823396 /nfs/dbraw/zinc/82/33/96/1205823396.db2.gz ZZFVTQKMMUVXMO-UWWQBHOKSA-N 0 3 375.473 0.554 20 0 GCADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CN(C)C2CCCC2)C1 ZINC001180626100 1205827636 /nfs/dbraw/zinc/82/76/36/1205827636.db2.gz DNJUENXKBOULBF-OAHLLOKOSA-N 0 3 377.489 0.479 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)C1 ZINC001180681160 1205829695 /nfs/dbraw/zinc/82/96/95/1205829695.db2.gz FBGJXNOZGUUWMX-MRXNPFEDSA-N 0 3 397.483 0.958 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)CC1=O ZINC001180721545 1205831611 /nfs/dbraw/zinc/83/16/11/1205831611.db2.gz UGCFAHIHKWORHM-MGPUTAFESA-N 0 3 387.484 0.314 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCOC[C@@H]1CN(C)C ZINC001181402954 1205843649 /nfs/dbraw/zinc/84/36/49/1205843649.db2.gz WTSSCVULOHCGHR-IHRRRGAJSA-N 0 3 386.493 0.193 20 0 GCADHN O=C(C1CC2(C1)OCCO2)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001181508197 1205845279 /nfs/dbraw/zinc/84/52/79/1205845279.db2.gz UFNUDHFCSLPVJH-UHFFFAOYSA-N 0 3 384.440 0.853 20 0 GCADHN CCOC(=O)C1(C(=O)NC2(CO)CCN(C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC001181579325 1205847200 /nfs/dbraw/zinc/84/72/00/1205847200.db2.gz LBLUWZUMHZTYNM-UHFFFAOYSA-N 0 3 399.488 0.360 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(C1)COCCN(CC(=O)NC)C2 ZINC001181991548 1205852899 /nfs/dbraw/zinc/85/28/99/1205852899.db2.gz ALAYOTWEDQZRQT-YLJYHZDGSA-N 0 3 380.533 0.548 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001181996260 1205853100 /nfs/dbraw/zinc/85/31/00/1205853100.db2.gz NOGALBAYSJPRBR-GOSISDBHSA-N 0 3 388.512 0.738 20 0 GCADHN CN1CCC(O)(C(=O)N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)CC1 ZINC001182030684 1205853539 /nfs/dbraw/zinc/85/35/39/1205853539.db2.gz FHLXMLJYBKHQBR-IXDOHACOSA-N 0 3 375.469 0.923 20 0 GCADHN CN1CCC(O)(C(=O)N[C@H](CO)[C@H](O)c2ccc(Br)cc2)CC1 ZINC001182029039 1205853729 /nfs/dbraw/zinc/85/37/29/1205853729.db2.gz MBWOXMHHHPNQDO-ZIAGYGMSSA-N 0 3 387.274 0.416 20 0 GCADHN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C3(O)CCN(C)CC3)CC[C@@H]21 ZINC001182030416 1205853748 /nfs/dbraw/zinc/85/37/48/1205853748.db2.gz ANMCJLBNHVXNNS-SQNIBIBYSA-N 0 3 389.500 0.178 20 0 GCADHN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(=O)C2(O)CCN(C)CC2)C1 ZINC001182031051 1205853767 /nfs/dbraw/zinc/85/37/67/1205853767.db2.gz JWUOJMJNFHEYDF-LJQANCHMSA-N 0 3 389.500 0.308 20 0 GCADHN CN1CCC(O)(C(=O)N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)CC1 ZINC001182032896 1205853924 /nfs/dbraw/zinc/85/39/24/1205853924.db2.gz VXVNLVGRGWJUPD-IBGZPJMESA-N 0 3 391.468 0.570 20 0 GCADHN CN1CCC(O)(C(=O)N2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)CC1 ZINC001182033539 1205854024 /nfs/dbraw/zinc/85/40/24/1205854024.db2.gz XYNMPDMYSFKAEN-ZACQAIPSSA-N 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C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000774190678 1205864735 /nfs/dbraw/zinc/86/47/35/1205864735.db2.gz OIAPMQKUALWJTL-KFWWJZLASA-N 0 3 382.505 0.959 20 0 GCADHN CCOC(=O)N[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)CC(C)C ZINC000774179484 1205865427 /nfs/dbraw/zinc/86/54/27/1205865427.db2.gz PLXPKGOYWFDUSJ-XHSDSOJGSA-N 0 3 382.505 0.959 20 0 GCADHN Cc1ccc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)C2=O)cc1 ZINC000774215918 1205866381 /nfs/dbraw/zinc/86/63/81/1205866381.db2.gz NNYCNMRQXRSCMJ-NJAFHUGGSA-N 0 3 384.480 0.912 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1C[C@H]1C(N)=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001182383733 1205867046 /nfs/dbraw/zinc/86/70/46/1205867046.db2.gz ZKPVESPGVUJTSI-RBSFLKMASA-N 0 3 382.505 0.898 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000774283771 1205868889 /nfs/dbraw/zinc/86/88/89/1205868889.db2.gz SPLAYJNVSWXNRW-DZGCQCFKSA-N 0 3 386.452 0.431 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cc1ccc(F)cc1 ZINC001110307688 1205872077 /nfs/dbraw/zinc/87/20/77/1205872077.db2.gz NBDAWDYXKSAYCL-HCXYKTFWSA-N 0 3 377.460 0.929 20 0 GCADHN O=C(CNC(=O)[C@H]1CC(=O)N(CC2CC2)C1)N1CCN(C2CCCCC2)CC1 ZINC001182464497 1205873454 /nfs/dbraw/zinc/87/34/54/1205873454.db2.gz ZEGMXDAVCKXAJW-KRWDZBQOSA-N 0 3 390.528 0.838 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)CC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC001182850612 1205882764 /nfs/dbraw/zinc/88/27/64/1205882764.db2.gz JUOXOHPBRBGVJC-HZPDHXFCSA-N 0 3 390.509 0.846 20 0 GCADHN NC[C@H](NC(=O)[C@@H]1CCNC1=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001183027693 1205885482 /nfs/dbraw/zinc/88/54/82/1205885482.db2.gz VUVZMKNKNBUHAM-MJGOQNOKSA-N 0 3 393.443 0.922 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCCCCCC2)CC1 ZINC000774594223 1205887792 /nfs/dbraw/zinc/88/77/92/1205887792.db2.gz YTNMVZIAOLSNGZ-KRWDZBQOSA-N 0 3 378.517 0.981 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)N[C@H]3COCC[C@@H]3O)CC2)C1 ZINC001183158236 1205888808 /nfs/dbraw/zinc/88/88/08/1205888808.db2.gz PBNOAWNOWJFSIJ-IKGGRYGDSA-N 0 3 397.516 0.974 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)NC[C@@H]3CNC(=O)C3)CC2)C1 ZINC001183157124 1205888870 /nfs/dbraw/zinc/88/88/70/1205888870.db2.gz JKMBKRIXCYDVDA-GOEBONIOSA-N 0 3 394.516 0.960 20 0 GCADHN CC(C)[C@H](C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1)N(C)C ZINC001183360583 1205891397 /nfs/dbraw/zinc/89/13/97/1205891397.db2.gz QDITUKHHZVKIRG-VXIBKDFQSA-N 0 3 381.517 0.543 20 0 GCADHN CC(C)[C@H](C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1)N(C)C ZINC001183366246 1205891825 /nfs/dbraw/zinc/89/18/25/1205891825.db2.gz WPDJKQKLIGRZJY-QGZVFWFLSA-N 0 3 383.514 0.910 20 0 GCADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)C1C=CN=C2N=CC=C21 ZINC001183584812 1205895656 /nfs/dbraw/zinc/89/56/56/1205895656.db2.gz RAXRWPWQSNSXAE-LLVKDONJSA-N 0 3 375.410 0.161 20 0 GCADHN COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cc1ccc(F)cc1 ZINC001110335676 1205895772 /nfs/dbraw/zinc/89/57/72/1205895772.db2.gz COVYNHMFALRXCA-TWMKSMIVSA-N 0 3 379.432 0.807 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000774667484 1205898643 /nfs/dbraw/zinc/89/86/43/1205898643.db2.gz GQDAMHNUBROUKF-HUUCEWRRSA-N 0 3 377.441 0.299 20 0 GCADHN CN(CC(=O)N[C@@H](CO)Cc1cnc[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814196 1205900566 /nfs/dbraw/zinc/90/05/66/1205900566.db2.gz BPYWSHWNPZDKAR-HZPDHXFCSA-N 0 3 395.504 0.761 20 0 GCADHN COC[C@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)C1(CO)COC1)CC2 ZINC001184042138 1205904264 /nfs/dbraw/zinc/90/42/64/1205904264.db2.gz CUBSEDVUIUMSHX-GOSISDBHSA-N 0 3 389.496 0.920 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@@H](NC[C@@]2(CO)COC[C@@H]3CCCN32)C1 ZINC001184374283 1205908686 /nfs/dbraw/zinc/90/86/86/1205908686.db2.gz LHDJSIYCFBQJKF-TXPKVOOTSA-N 0 3 385.505 0.438 20 0 GCADHN O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184405420 1205909060 /nfs/dbraw/zinc/90/90/60/1205909060.db2.gz LBHOHEDXVSEPFA-TWPTVVAISA-N 0 3 382.888 0.771 20 0 GCADHN COCCN(C(=O)CN(C)S(=O)(=O)c1ccccc1)C1CCN(C)CC1 ZINC001184410356 1205909482 /nfs/dbraw/zinc/90/94/82/1205909482.db2.gz ZODDAVWIVRUUJY-UHFFFAOYSA-N 0 3 383.514 0.876 20 0 GCADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NCCOc1ccccc1 ZINC001184433836 1205910447 /nfs/dbraw/zinc/91/04/47/1205910447.db2.gz ODVSDTYIHSFGCS-WEZPBNDISA-N 0 3 399.491 0.796 20 0 GCADHN CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001184423176 1205910582 /nfs/dbraw/zinc/91/05/82/1205910582.db2.gz WVRYXWSMDBZSPC-NUABRCLCSA-N 0 3 387.480 0.866 20 0 GCADHN COc1ccc(CNC(=O)CN[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1 ZINC001184434401 1205910663 /nfs/dbraw/zinc/91/06/63/1205910663.db2.gz XJISKLUHZQAFBL-WEZPBNDISA-N 0 3 399.491 0.925 20 0 GCADHN COc1ccccc1OCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000774816084 1205916225 /nfs/dbraw/zinc/91/62/25/1205916225.db2.gz NUNJIECQBQVYNN-CABCVRRESA-N 0 3 377.441 0.170 20 0 GCADHN CN1CCN(C)[C@H](C(=O)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)C1 ZINC001185251365 1205919417 /nfs/dbraw/zinc/91/94/17/1205919417.db2.gz NPBQANYWOZKJHB-UHOSZYNNSA-N 0 3 376.476 0.735 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2CN(C)CCN2C)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001185255682 1205919793 /nfs/dbraw/zinc/91/97/93/1205919793.db2.gz AHMCUPXJFPXNRE-HYVNUMGLSA-N 0 3 385.516 0.877 20 0 GCADHN C[C@H](C(=O)N1CCC[C@]2(CCCN(S(=O)(=O)N(C)C)C2)C1)N1CCCC1 ZINC001273505002 1205924751 /nfs/dbraw/zinc/92/47/51/1205924751.db2.gz QTTHLPHBIIEXOV-AEFFLSMTSA-N 0 3 386.562 0.982 20 0 GCADHN COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCOC[C@@H]1CN(C)C)C(C)C ZINC001185677285 1205927991 /nfs/dbraw/zinc/92/79/91/1205927991.db2.gz MEOYGCWXNVSAKB-JYJNAYRXSA-N 0 3 398.504 0.147 20 0 GCADHN COC(=O)N1CCC[C@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000774923268 1205929017 /nfs/dbraw/zinc/92/90/17/1205929017.db2.gz MIHAOCKKEPDXFK-DLBZAZTESA-N 0 3 390.484 0.623 20 0 GCADHN CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCOC[C@H]1CN(C)C ZINC001185835908 1205929843 /nfs/dbraw/zinc/92/98/43/1205929843.db2.gz ZJNBOCNNMZKETD-BZUAXINKSA-N 0 3 399.488 0.574 20 0 GCADHN CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NC1(CO)CCN(C)CC1 ZINC001185849222 1205930660 /nfs/dbraw/zinc/93/06/60/1205930660.db2.gz YTICNPKXXDLFBX-GJZGRUSLSA-N 0 3 399.488 0.358 20 0 GCADHN CC(C)Oc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cn1 ZINC001186278533 1205937133 /nfs/dbraw/zinc/93/71/33/1205937133.db2.gz NPGACAQIMUTYPD-CQSZACIVSA-N 0 3 384.502 0.735 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C(N)=O)oc1C ZINC001186357997 1205938606 /nfs/dbraw/zinc/93/86/06/1205938606.db2.gz OJHLHDJGYDSIGW-CQSZACIVSA-N 0 3 386.518 0.724 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]3CCO[C@H]32)CC1 ZINC001186500048 1205940613 /nfs/dbraw/zinc/94/06/13/1205940613.db2.gz AYYPXRVDNBCLMU-BZUAXINKSA-N 0 3 397.516 0.831 20 0 GCADHN CN1CCN(Cc2cccc(CNS(=O)(=O)CCN3CCOC3=O)c2)CC1 ZINC001186524288 1205941471 /nfs/dbraw/zinc/94/14/71/1205941471.db2.gz KQMHPDRXKDBNRO-UHFFFAOYSA-N 0 3 396.513 0.306 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000775027081 1205941538 /nfs/dbraw/zinc/94/15/38/1205941538.db2.gz LXHUYEPXTUFIEH-MRXNPFEDSA-N 0 3 380.489 0.810 20 0 GCADHN CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1C[C@H]2[C@H](C1)CCCN2C)C(C)C ZINC001186615601 1205943270 /nfs/dbraw/zinc/94/32/70/1205943270.db2.gz HMRWBPRIABFDJM-QAETUUGQSA-N 0 3 398.573 0.548 20 0 GCADHN CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCCN2CCCN(C)CC2)C1 ZINC001186805991 1205947651 /nfs/dbraw/zinc/94/76/51/1205947651.db2.gz KOFHVDNHOZONGV-OXJNMPFZSA-N 0 3 395.500 0.248 20 0 GCADHN O=C(CN1CCS(=O)(=O)CC1)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001273528872 1205949698 /nfs/dbraw/zinc/94/96/98/1205949698.db2.gz DEWCMIJJSJBZDE-UHFFFAOYSA-N 0 3 397.463 0.594 20 0 GCADHN CCOC(=O)CCNC(=O)N1Cc2nccn2C[C@H](CN2CCN(C)CC2)C1 ZINC001187194503 1205957071 /nfs/dbraw/zinc/95/70/71/1205957071.db2.gz XHGUEVLZPKBYGG-INIZCTEOSA-N 0 3 392.504 0.225 20 0 GCADHN CCOC(=O)CCNC(=O)NC1(C(N)=O)CCN(Cc2ccccc2)CC1 ZINC001187237278 1205957941 /nfs/dbraw/zinc/95/79/41/1205957941.db2.gz UMNXIMVZNYESSN-UHFFFAOYSA-N 0 3 376.457 0.759 20 0 GCADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C1 ZINC001188247000 1205977103 /nfs/dbraw/zinc/97/71/03/1205977103.db2.gz QQCZVXJNCFXPJE-BVIKNXMNSA-N 0 3 375.473 0.199 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C2CCN(S(=O)(=O)CCC(=O)OC)CC2)C1 ZINC001188363832 1205980519 /nfs/dbraw/zinc/98/05/19/1205980519.db2.gz ZUQKDXZXRJODKW-AWEZNQCLSA-N 0 3 390.502 0.619 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188509773 1205984969 /nfs/dbraw/zinc/98/49/69/1205984969.db2.gz VQPXLSBRMDHJFL-UHFFFAOYSA-N 0 3 385.534 0.032 20 0 GCADHN Cc1n[nH]c(C)c1C(=O)N1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001188588788 1205988538 /nfs/dbraw/zinc/98/85/38/1205988538.db2.gz DNQMMIMTFXUVJN-UHFFFAOYSA-N 0 3 376.505 0.337 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCc3cnccn3)cc2)CC1 ZINC000775201195 1205991749 /nfs/dbraw/zinc/99/17/49/1205991749.db2.gz BQBYRUPEAMBUDD-UHFFFAOYSA-N 0 3 382.468 0.916 20 0 GCADHN COc1cc(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)c(OC)nn1 ZINC001189082817 1205995918 /nfs/dbraw/zinc/99/59/18/1205995918.db2.gz WHBLROPENVCUJG-UHFFFAOYSA-N 0 3 391.472 0.701 20 0 GCADHN CN(C)S(=O)(=O)CCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C1 ZINC001189181600 1205998702 /nfs/dbraw/zinc/99/87/02/1205998702.db2.gz CTTGGRJQUFSPDV-UTSKFRMZSA-N 0 3 385.530 0.368 20 0 GCADHN O=C(NCc1ccc(OC(F)F)cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000775234581 1206002071 /nfs/dbraw/zinc/00/20/71/1206002071.db2.gz RGZYPQFHEFRSBY-HIFRSBDPSA-N 0 3 383.395 0.884 20 0 GCADHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)CCOC1CCOCC1 ZINC001189383001 1206002801 /nfs/dbraw/zinc/00/28/01/1206002801.db2.gz CHPFZVBRRZUPGF-UHFFFAOYSA-N 0 3 377.551 0.470 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)c3cc(=O)n(C)c(=O)n3C)cc2)CC1 ZINC001189430021 1206005389 /nfs/dbraw/zinc/00/53/89/1206005389.db2.gz JSKZVNJNNVJFKL-UHFFFAOYSA-N 0 3 385.468 0.474 20 0 GCADHN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC[C@@H]2CCCO2)c1C ZINC001110409871 1206009711 /nfs/dbraw/zinc/00/97/11/1206009711.db2.gz PDWKGCAZRUVAPN-QXSJWSMHSA-N 0 3 375.473 0.657 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCN(C(=O)c3ncc(Br)cn3)C2)C1=O ZINC001273586780 1206015103 /nfs/dbraw/zinc/01/51/03/1206015103.db2.gz VZQDZFWGCSXLMX-INIZCTEOSA-N 0 3 396.289 0.865 20 0 GCADHN CN(C)CCN1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CCC1=O ZINC001189811535 1206016324 /nfs/dbraw/zinc/01/63/24/1206016324.db2.gz XBISSOGOCOYOBD-UHFFFAOYSA-N 0 3 375.441 0.891 20 0 GCADHN COC(=O)c1ccncc1C(=O)n1ccc(=NCCN2CCOCC2)c(N)c1 ZINC001189792502 1206016350 /nfs/dbraw/zinc/01/63/50/1206016350.db2.gz LUUPUCSMXXUWKF-UHFFFAOYSA-N 0 3 385.424 0.173 20 0 GCADHN C[C@H](NCCNS(=O)(=O)c1cnn(C)c1)c1ccc2c(c1)CC(=O)N2C ZINC000775350640 1206025999 /nfs/dbraw/zinc/02/59/99/1206025999.db2.gz JASHUOKWGFZQEK-LBPRGKRZSA-N 0 3 377.470 0.568 20 0 GCADHN O=C(c1[nH]ncc1Cl)N1C[C@@]2(F)C(=O)N(CCn3ccnc3)C[C@@]2(F)C1 ZINC001273606919 1206046041 /nfs/dbraw/zinc/04/60/41/1206046041.db2.gz QECFPNPVQUVTTP-HUUCEWRRSA-N 0 3 384.774 0.674 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)N[C@@H](CC(C)C)C(=O)OC)CC2 ZINC001190783685 1206046985 /nfs/dbraw/zinc/04/69/85/1206046985.db2.gz IQJQFGGNFYBFRO-HNNXBMFYSA-N 0 3 382.505 0.960 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CC(=O)N(C4CC4)C(=O)C3)cc2)CC1 ZINC001190840541 1206048035 /nfs/dbraw/zinc/04/80/35/1206048035.db2.gz OKHRRFYQMABKJC-UHFFFAOYSA-N 0 3 384.480 0.798 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)NCCN3CCCS3(=O)=O)cc2)CC1 ZINC001190870686 1206049367 /nfs/dbraw/zinc/04/93/67/1206049367.db2.gz QTQKGEHIPQYOPO-UHFFFAOYSA-N 0 3 394.541 0.589 20 0 GCADHN O=c1cc(CN2CCCC2)nc2n1CCCN(S(=O)(=O)c1ccncc1)C2 ZINC001190874793 1206049401 /nfs/dbraw/zinc/04/94/01/1206049401.db2.gz MKPQIOJOFCOJSJ-UHFFFAOYSA-N 0 3 389.481 0.829 20 0 GCADHN COCCN1CC[C@H](NC(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435237 1206054780 /nfs/dbraw/zinc/05/47/80/1206054780.db2.gz VAFGHKJZVUJWSQ-JKSUJKDBSA-N 0 3 399.536 0.557 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775431852 1206055300 /nfs/dbraw/zinc/05/53/00/1206055300.db2.gz YPVNCJZVEGFBBW-HNNXBMFYSA-N 0 3 387.525 0.415 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1nc(C(=O)OC)nc3cnccc31)CC2 ZINC001164685438 719726795 /nfs/dbraw/zinc/72/67/95/719726795.db2.gz KSNHUZGONWJKBP-UHFFFAOYSA-N 0 3 398.467 0.992 20 0 GCADHN CN1CCN(c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)CC1 ZINC001164743678 720620517 /nfs/dbraw/zinc/62/05/17/720620517.db2.gz PZMVCYGWFMOIKX-IAGOWNOFSA-N 0 3 396.499 0.360 20 0 GCADHN CN(C)c1nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2nc[nH]c21 ZINC001164736951 720718745 /nfs/dbraw/zinc/71/87/45/720718745.db2.gz CKXQJSYFJDBOLV-OLZOCXBDSA-N 0 3 381.444 0.551 20 0 GCADHN CCOC(=O)Cc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164742142 720734097 /nfs/dbraw/zinc/73/40/97/720734097.db2.gz NOPFZSUORIVVSL-HOTGVXAUSA-N 0 3 384.440 0.714 20 0 GCADHN c1ncn(-c2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)n1 ZINC001164873603 721158767 /nfs/dbraw/zinc/15/87/67/721158767.db2.gz IXARNDSNYMZGTN-SJORKVTESA-N 0 3 378.440 0.932 20 0 GCADHN Cn1cnc(C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nnn[n-]4)ccc3F)C2)n1 ZINC001571258431 945353810 /nfs/dbraw/zinc/35/38/10/945353810.db2.gz QOAZLIINIPHIGV-NSHDSACASA-N 0 3 385.407 0.386 20 0 GCADHN Cn1cnc(C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)n1 ZINC001571258431 945353819 /nfs/dbraw/zinc/35/38/19/945353819.db2.gz QOAZLIINIPHIGV-NSHDSACASA-N 0 3 385.407 0.386 20 0 GCADHN Cn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)c1N ZINC001571258437 945354429 /nfs/dbraw/zinc/35/44/29/945354429.db2.gz QQWHEEYJPDHYPG-PHIMTYICSA-N 0 3 385.407 0.372 20 0 GCADHN Cn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)c1N ZINC001571258437 945354442 /nfs/dbraw/zinc/35/44/42/945354442.db2.gz QQWHEEYJPDHYPG-PHIMTYICSA-N 0 3 385.407 0.372 20 0 GCADHN Cn1nncc1C(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001571258694 945362505 /nfs/dbraw/zinc/36/25/05/945362505.db2.gz ZKHMCSVVRBXKJX-UHFFFAOYSA-N 0 3 385.407 0.529 20 0 GCADHN Cn1nncc1C(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001571258694 945362518 /nfs/dbraw/zinc/36/25/18/945362518.db2.gz ZKHMCSVVRBXKJX-UHFFFAOYSA-N 0 3 385.407 0.529 20 0 GCADHN CN1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571264701 945490462 /nfs/dbraw/zinc/49/04/62/945490462.db2.gz UQGUPTZEPCVLHR-UKPHBRMFSA-N 0 3 385.472 0.182 20 0 GCADHN CN1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571264701 945490463 /nfs/dbraw/zinc/49/04/63/945490463.db2.gz UQGUPTZEPCVLHR-UKPHBRMFSA-N 0 3 385.472 0.182 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001571264939 945494761 /nfs/dbraw/zinc/49/47/61/945494761.db2.gz BCMZDDMDTLWLMX-OCCSQVGLSA-N 0 3 385.476 0.710 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001571264939 945494765 /nfs/dbraw/zinc/49/47/65/945494765.db2.gz BCMZDDMDTLWLMX-OCCSQVGLSA-N 0 3 385.476 0.710 20 0 GCADHN C[NH+](C)C1(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001571265238 945504076 /nfs/dbraw/zinc/50/40/76/945504076.db2.gz DELGKKPNWBUZHG-ZDUSSCGKSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001571265744 945519112 /nfs/dbraw/zinc/51/91/12/945519112.db2.gz JMLQZLDNPOOFNP-CHWSQXEVSA-N 0 3 385.476 0.932 20 0 GCADHN C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571265744 945519120 /nfs/dbraw/zinc/51/91/20/945519120.db2.gz JMLQZLDNPOOFNP-CHWSQXEVSA-N 0 3 385.476 0.932 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265777 945520803 /nfs/dbraw/zinc/52/08/03/945520803.db2.gz JXENXIMMVNVOBT-UKRRQHHQSA-N 0 3 385.476 0.934 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265777 945520809 /nfs/dbraw/zinc/52/08/09/945520809.db2.gz JXENXIMMVNVOBT-UKRRQHHQSA-N 0 3 385.476 0.934 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265776 945520971 /nfs/dbraw/zinc/52/09/71/945520971.db2.gz JXENXIMMVNVOBT-HIFRSBDPSA-N 0 3 385.476 0.934 20 0 GCADHN CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265776 945520976 /nfs/dbraw/zinc/52/09/76/945520976.db2.gz JXENXIMMVNVOBT-HIFRSBDPSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571266172 945534127 /nfs/dbraw/zinc/53/41/27/945534127.db2.gz XLCNIKILHORZOC-MGPQQGTHSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571266172 945534133 /nfs/dbraw/zinc/53/41/33/945534133.db2.gz XLCNIKILHORZOC-MGPQQGTHSA-N 0 3 385.476 0.647 20 0 GCADHN CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266201 945534405 /nfs/dbraw/zinc/53/44/05/945534405.db2.gz NMOUFZJCFLZNGI-UKRRQHHQSA-N 0 3 385.476 0.934 20 0 GCADHN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266201 945534411 /nfs/dbraw/zinc/53/44/11/945534411.db2.gz NMOUFZJCFLZNGI-UKRRQHHQSA-N 0 3 385.476 0.934 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571266369 945538904 /nfs/dbraw/zinc/53/89/04/945538904.db2.gz PIBNKNHTKDMTEY-HIFRSBDPSA-N 0 3 385.476 0.932 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571266369 945538912 /nfs/dbraw/zinc/53/89/12/945538912.db2.gz PIBNKNHTKDMTEY-HIFRSBDPSA-N 0 3 385.476 0.932 20 0 GCADHN CC[C@@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)[NH+](C)C ZINC001571266461 945541047 /nfs/dbraw/zinc/54/10/47/945541047.db2.gz RBTCHJUVYLLGEA-IPYPFGDCSA-N 0 3 385.476 0.282 20 0 GCADHN O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571269217 945615989 /nfs/dbraw/zinc/61/59/89/945615989.db2.gz SMSWGFLLKKOXRJ-KBPBESRZSA-N 0 3 386.435 0.755 20 0 GCADHN O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571269217 945615990 /nfs/dbraw/zinc/61/59/90/945615990.db2.gz SMSWGFLLKKOXRJ-KBPBESRZSA-N 0 3 386.435 0.755 20 0 GCADHN O=C(N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C12CC[NH+](CC1)C2 ZINC001571269378 945619905 /nfs/dbraw/zinc/61/99/05/945619905.db2.gz WYJRXCNKIFZFFP-ZDUSSCGKSA-N 0 3 386.435 0.582 20 0 GCADHN O=C(N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C12CC[NH+](CC1)C2 ZINC001571269378 945619912 /nfs/dbraw/zinc/61/99/12/945619912.db2.gz WYJRXCNKIFZFFP-ZDUSSCGKSA-N 0 3 386.435 0.582 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571272407 945662596 /nfs/dbraw/zinc/66/25/96/945662596.db2.gz CZVPGPBGXCYPQU-JSGCOSHPSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571272407 945662601 /nfs/dbraw/zinc/66/26/01/945662601.db2.gz CZVPGPBGXCYPQU-JSGCOSHPSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571272407 945662606 /nfs/dbraw/zinc/66/26/06/945662606.db2.gz CZVPGPBGXCYPQU-JSGCOSHPSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571272407 945662611 /nfs/dbraw/zinc/66/26/11/945662611.db2.gz CZVPGPBGXCYPQU-JSGCOSHPSA-N 0 3 386.460 0.210 20 0 GCADHN CN1CC[C@@H]([NH2+]CC[C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001571273129 945678963 /nfs/dbraw/zinc/67/89/63/945678963.db2.gz PWEGRKVWXWTJIR-UONOGXRCSA-N 0 3 386.460 0.400 20 0 GCADHN CN1CC[C@@H]([NH2+]CC[C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001571273129 945678970 /nfs/dbraw/zinc/67/89/70/945678970.db2.gz PWEGRKVWXWTJIR-UONOGXRCSA-N 0 3 386.460 0.400 20 0 GCADHN CN1CC[C@H]([NH2+]CC[C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001571273128 945680162 /nfs/dbraw/zinc/68/01/62/945680162.db2.gz PWEGRKVWXWTJIR-KGLIPLIRSA-N 0 3 386.460 0.400 20 0 GCADHN CN1CC[C@H]([NH2+]CC[C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001571273128 945680165 /nfs/dbraw/zinc/68/01/65/945680165.db2.gz PWEGRKVWXWTJIR-KGLIPLIRSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273359 945685759 /nfs/dbraw/zinc/68/57/59/945685759.db2.gz WDBKLTHTHOMBNX-CHWSQXEVSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273359 945685765 /nfs/dbraw/zinc/68/57/65/945685765.db2.gz WDBKLTHTHOMBNX-CHWSQXEVSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273359 945685770 /nfs/dbraw/zinc/68/57/70/945685770.db2.gz WDBKLTHTHOMBNX-CHWSQXEVSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273359 945685777 /nfs/dbraw/zinc/68/57/77/945685777.db2.gz WDBKLTHTHOMBNX-CHWSQXEVSA-N 0 3 386.460 0.257 20 0 GCADHN O=C(N[C@H]1CCC[C@H]([NH2+]CCN2CCCC2=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571273413 945688114 /nfs/dbraw/zinc/68/81/14/945688114.db2.gz XDQVZLVCIBMWMF-KBPBESRZSA-N 0 3 386.460 0.448 20 0 GCADHN O=C(N[C@H]1CCC[C@H]([NH2+]CCN2CCCC2=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571273413 945688121 /nfs/dbraw/zinc/68/81/21/945688121.db2.gz XDQVZLVCIBMWMF-KBPBESRZSA-N 0 3 386.460 0.448 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000821401059 945689166 /nfs/dbraw/zinc/68/91/66/945689166.db2.gz SYZIEUCQSDLAHT-AAEUAGOBSA-N 0 3 399.455 0.945 20 0 GCADHN CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C1 ZINC001571273496 945690907 /nfs/dbraw/zinc/69/09/07/945690907.db2.gz YOQRXZADUIGSSO-AVGNSLFASA-N 0 3 386.460 0.113 20 0 GCADHN CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C1 ZINC001571273496 945690912 /nfs/dbraw/zinc/69/09/12/945690912.db2.gz YOQRXZADUIGSSO-AVGNSLFASA-N 0 3 386.460 0.113 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[N@H+](C[C@H]2CCNC(=O)CC2)CC1 ZINC001571273539 945690958 /nfs/dbraw/zinc/69/09/58/945690958.db2.gz ZLDSGMVUPQRORA-CYBMUJFWSA-N 0 3 386.460 0.259 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)CC1 ZINC001571273539 945690962 /nfs/dbraw/zinc/69/09/62/945690962.db2.gz ZLDSGMVUPQRORA-CYBMUJFWSA-N 0 3 386.460 0.259 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275780 945716553 /nfs/dbraw/zinc/71/65/53/945716553.db2.gz CDKMDRVQRCBWFV-LSDHHAIUSA-N 0 3 386.456 0.992 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275780 945716559 /nfs/dbraw/zinc/71/65/59/945716559.db2.gz CDKMDRVQRCBWFV-LSDHHAIUSA-N 0 3 386.456 0.992 20 0 GCADHN O=C(CC1(O)CCC1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571275781 945716775 /nfs/dbraw/zinc/71/67/75/945716775.db2.gz CDWJVBHCXQFQGM-INIZCTEOSA-N 0 3 386.456 0.489 20 0 GCADHN CCN(C(=O)[C@@H]1CN(C)CCO1)[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571276137 945725258 /nfs/dbraw/zinc/72/52/58/945725258.db2.gz HXGUGIWRDFIAGX-BBRMVZONSA-N 0 3 386.460 0.020 20 0 GCADHN CCN(C(=O)[C@H]1CN(C)CCO1)[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571276140 945725281 /nfs/dbraw/zinc/72/52/81/945725281.db2.gz HXGUGIWRDFIAGX-XJKSGUPXSA-N 0 3 386.460 0.020 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571276247 945727569 /nfs/dbraw/zinc/72/75/69/945727569.db2.gz GBRZUWLUCWKGCZ-XQQFMLRXSA-N 0 3 387.419 0.065 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571276247 945727579 /nfs/dbraw/zinc/72/75/79/945727579.db2.gz GBRZUWLUCWKGCZ-XQQFMLRXSA-N 0 3 387.419 0.065 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CCC(=O)N1 ZINC001571276316 945730804 /nfs/dbraw/zinc/73/08/04/945730804.db2.gz HLEWFEBEIQIWDR-PZROIBLQSA-N 0 3 387.419 0.411 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCC(=O)N1 ZINC001571276316 945730810 /nfs/dbraw/zinc/73/08/10/945730810.db2.gz HLEWFEBEIQIWDR-PZROIBLQSA-N 0 3 387.419 0.411 20 0 GCADHN O=C(NCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1)[C@@H]1COCCO1 ZINC001571276593 945733216 /nfs/dbraw/zinc/73/32/16/945733216.db2.gz JKHBEXNXGCWPSR-KRWDZBQOSA-N 0 3 386.456 0.610 20 0 GCADHN O=C(NCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1)[C@@H]1COCCO1 ZINC001571276593 945733222 /nfs/dbraw/zinc/73/32/22/945733222.db2.gz JKHBEXNXGCWPSR-KRWDZBQOSA-N 0 3 386.456 0.610 20 0 GCADHN O=C(C[C@@H]1CCCO1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571276629 945733999 /nfs/dbraw/zinc/73/39/99/945733999.db2.gz JWLRXXDSUUTXKQ-HOTGVXAUSA-N 0 3 386.456 0.753 20 0 GCADHN O=C(C[C@@H]1CCCO1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571276629 945734005 /nfs/dbraw/zinc/73/40/05/945734005.db2.gz JWLRXXDSUUTXKQ-HOTGVXAUSA-N 0 3 386.456 0.753 20 0 GCADHN CC(C)N1CC[C@@H]([NH2+]C2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001571277587 945742341 /nfs/dbraw/zinc/74/23/41/945742341.db2.gz MCRLYBBHGJUADW-UXUKBGGZSA-N 0 3 386.460 0.302 20 0 GCADHN CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CC1=O ZINC001571277835 945746490 /nfs/dbraw/zinc/74/64/90/945746490.db2.gz UCBWJKYGYSBPCL-QWHCGFSZSA-N 0 3 387.419 0.175 20 0 GCADHN CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CC1=O ZINC001571277835 945746501 /nfs/dbraw/zinc/74/65/01/945746501.db2.gz UCBWJKYGYSBPCL-QWHCGFSZSA-N 0 3 387.419 0.175 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001571278538 945755608 /nfs/dbraw/zinc/75/56/08/945755608.db2.gz PCGTXSGGPOGDIU-OAHLLOKOSA-N 0 3 386.456 0.871 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1[NH2+]CCN1CCCC1=O ZINC001571279964 945793796 /nfs/dbraw/zinc/79/37/96/945793796.db2.gz YLFNGFVXCWIFAH-CHWSQXEVSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1[NH2+]CCN1CCCC1=O ZINC001571279964 945793803 /nfs/dbraw/zinc/79/38/03/945793803.db2.gz YLFNGFVXCWIFAH-CHWSQXEVSA-N 0 3 386.460 0.257 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573447478 945801963 /nfs/dbraw/zinc/80/19/63/945801963.db2.gz ZEJZDEOSKVDZLA-DOTOQJQBSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573447478 945801981 /nfs/dbraw/zinc/80/19/81/945801981.db2.gz ZEJZDEOSKVDZLA-DOTOQJQBSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573456331 945891222 /nfs/dbraw/zinc/89/12/22/945891222.db2.gz JDJNRFHDADIZNY-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573456331 945891243 /nfs/dbraw/zinc/89/12/43/945891243.db2.gz JDJNRFHDADIZNY-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573456330 945891319 /nfs/dbraw/zinc/89/13/19/945891319.db2.gz JDJNRFHDADIZNY-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573456330 945891334 /nfs/dbraw/zinc/89/13/34/945891334.db2.gz JDJNRFHDADIZNY-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573456819 945898259 /nfs/dbraw/zinc/89/82/59/945898259.db2.gz PIHCOAVJKWCVMZ-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573456819 945898275 /nfs/dbraw/zinc/89/82/75/945898275.db2.gz PIHCOAVJKWCVMZ-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CCc1nc(N[C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571284350 945899428 /nfs/dbraw/zinc/89/94/28/945899428.db2.gz ODMUBFFWVJPACS-JSGCOSHPSA-N 0 3 387.492 0.962 20 0 GCADHN CC(C)[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)[NH+](C)C ZINC001571284247 945900312 /nfs/dbraw/zinc/90/03/12/945900312.db2.gz OCLXEKBIAFHLKO-UKRRQHHQSA-N 0 3 387.492 0.892 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573456903 945900427 /nfs/dbraw/zinc/90/04/27/945900427.db2.gz PVSAJEQZZGOMOT-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573456903 945900433 /nfs/dbraw/zinc/90/04/33/945900433.db2.gz PVSAJEQZZGOMOT-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573456860 945900722 /nfs/dbraw/zinc/90/07/22/945900722.db2.gz PQAOAFXNLFYBNF-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573456860 945900729 /nfs/dbraw/zinc/90/07/29/945900729.db2.gz PQAOAFXNLFYBNF-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(C)[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)[NH+](C)C ZINC001571284722 945905126 /nfs/dbraw/zinc/90/51/26/945905126.db2.gz UQZOWIRBIQMGJF-ZFWWWQNUSA-N 0 3 387.492 0.892 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571285152 945911251 /nfs/dbraw/zinc/91/12/51/945911251.db2.gz YTKWFMNVBXGNBF-UKRRQHHQSA-N 0 3 387.492 0.588 20 0 GCADHN CC[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)[NH+](C)C ZINC001571285110 945911280 /nfs/dbraw/zinc/91/12/80/945911280.db2.gz YMBCCKMXDNGWSB-UKRRQHHQSA-N 0 3 387.492 0.814 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573460658 945917141 /nfs/dbraw/zinc/91/71/41/945917141.db2.gz LLZTWUIPRNJCBW-GHMZBOCLSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573460659 945918533 /nfs/dbraw/zinc/91/85/33/945918533.db2.gz LLZTWUIPRNJCBW-MNOVXSKESA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573461887 945924740 /nfs/dbraw/zinc/92/47/40/945924740.db2.gz SULBMEXBAHGQPJ-WDEREUQCSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573461864 945925365 /nfs/dbraw/zinc/92/53/65/945925365.db2.gz SCUHTIADJWFZCZ-INIZCTEOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573461864 945925372 /nfs/dbraw/zinc/92/53/72/945925372.db2.gz SCUHTIADJWFZCZ-INIZCTEOSA-N 0 3 385.472 0.766 20 0 GCADHN COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285919 945932367 /nfs/dbraw/zinc/93/23/67/945932367.db2.gz RFQSUVOSNMJFQI-OXHZDVMGSA-N 0 3 388.403 0.552 20 0 GCADHN COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571285919 945932376 /nfs/dbraw/zinc/93/23/76/945932376.db2.gz RFQSUVOSNMJFQI-OXHZDVMGSA-N 0 3 388.403 0.552 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573463205 945950843 /nfs/dbraw/zinc/95/08/43/945950843.db2.gz TVKDHGKNZAWWGN-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573463205 945950849 /nfs/dbraw/zinc/95/08/49/945950849.db2.gz TVKDHGKNZAWWGN-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573463349 945955089 /nfs/dbraw/zinc/95/50/89/945955089.db2.gz VLDOPIXWBZRMRV-INIZCTEOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573463349 945955097 /nfs/dbraw/zinc/95/50/97/945955097.db2.gz VLDOPIXWBZRMRV-INIZCTEOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573464554 945965721 /nfs/dbraw/zinc/96/57/21/945965721.db2.gz MESJXSWLNIFUPJ-LLVKDONJSA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573464554 945965730 /nfs/dbraw/zinc/96/57/30/945965730.db2.gz MESJXSWLNIFUPJ-LLVKDONJSA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573465326 945974825 /nfs/dbraw/zinc/97/48/25/945974825.db2.gz YBNRPRXIEKTSLB-KOMQPUFPSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573465326 945974831 /nfs/dbraw/zinc/97/48/31/945974831.db2.gz YBNRPRXIEKTSLB-KOMQPUFPSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573467567 945982408 /nfs/dbraw/zinc/98/24/08/945982408.db2.gz FHZWMXNCCRWMEL-ZSHCYNCHSA-N 0 3 383.456 0.328 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573467567 945982416 /nfs/dbraw/zinc/98/24/16/945982416.db2.gz FHZWMXNCCRWMEL-ZSHCYNCHSA-N 0 3 383.456 0.328 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573468197 945991221 /nfs/dbraw/zinc/99/12/21/945991221.db2.gz LOFBNJOXRLRAIE-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000822222736 946000714 /nfs/dbraw/zinc/00/07/14/946000714.db2.gz RJXZWNCYZKBFKJ-UHFFFAOYSA-N 0 3 394.501 0.906 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573469449 946007927 /nfs/dbraw/zinc/00/79/27/946007927.db2.gz WEIPFJUJTVAGME-GWMXKSKGSA-N 0 3 389.435 0.609 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573469449 946007940 /nfs/dbraw/zinc/00/79/40/946007940.db2.gz WEIPFJUJTVAGME-GWMXKSKGSA-N 0 3 389.435 0.609 20 0 GCADHN CC(C)[C@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[NH+](C)C ZINC001571289565 946008853 /nfs/dbraw/zinc/00/88/53/946008853.db2.gz HQQKPNYIVJRGPP-OAHLLOKOSA-N 0 3 388.476 0.456 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573469901 946010373 /nfs/dbraw/zinc/01/03/73/946010373.db2.gz AAIOHYUOOIVLSU-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573469786 946010963 /nfs/dbraw/zinc/01/09/63/946010963.db2.gz XLULDHYEUDPTJT-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573469786 946010975 /nfs/dbraw/zinc/01/09/75/946010975.db2.gz XLULDHYEUDPTJT-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573469836 946011147 /nfs/dbraw/zinc/01/11/47/946011147.db2.gz XUTAPJBIGNUMJZ-LBPRGKRZSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573469836 946011153 /nfs/dbraw/zinc/01/11/53/946011153.db2.gz XUTAPJBIGNUMJZ-LBPRGKRZSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573469836 946011165 /nfs/dbraw/zinc/01/11/65/946011165.db2.gz XUTAPJBIGNUMJZ-LBPRGKRZSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573469836 946011176 /nfs/dbraw/zinc/01/11/76/946011176.db2.gz XUTAPJBIGNUMJZ-LBPRGKRZSA-N 0 3 391.451 0.811 20 0 GCADHN CC[C@H](OC)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571289699 946014402 /nfs/dbraw/zinc/01/44/02/946014402.db2.gz KOCSGSOLIHMWCI-SJORKVTESA-N 0 3 388.472 0.999 20 0 GCADHN CC[C@H](OC)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571289698 946016189 /nfs/dbraw/zinc/01/61/89/946016189.db2.gz KOCSGSOLIHMWCI-IRXDYDNUSA-N 0 3 388.472 0.999 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573470090 946016948 /nfs/dbraw/zinc/01/69/48/946016948.db2.gz BBFVZJOPKKUMNU-CJNGLKHVSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573470090 946016956 /nfs/dbraw/zinc/01/69/56/946016956.db2.gz BBFVZJOPKKUMNU-CJNGLKHVSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470430 946025387 /nfs/dbraw/zinc/02/53/87/946025387.db2.gz FDKONHVMFGOYDO-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470430 946025395 /nfs/dbraw/zinc/02/53/95/946025395.db2.gz FDKONHVMFGOYDO-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571290065 946029204 /nfs/dbraw/zinc/02/92/04/946029204.db2.gz UMKMQRMMHDPKFJ-QWHCGFSZSA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571290065 946029215 /nfs/dbraw/zinc/02/92/15/946029215.db2.gz UMKMQRMMHDPKFJ-QWHCGFSZSA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571290065 946029228 /nfs/dbraw/zinc/02/92/28/946029228.db2.gz UMKMQRMMHDPKFJ-QWHCGFSZSA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571290065 946029235 /nfs/dbraw/zinc/02/92/35/946029235.db2.gz UMKMQRMMHDPKFJ-QWHCGFSZSA-N 0 3 388.451 0.637 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+](C)C ZINC001571290110 946029805 /nfs/dbraw/zinc/02/98/05/946029805.db2.gz VMCLDDDZQBHWOR-ZFWWWQNUSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571290139 946030511 /nfs/dbraw/zinc/03/05/11/946030511.db2.gz VYGVROAMAXAOAK-JSGCOSHPSA-N 0 3 388.451 0.780 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571290139 946030525 /nfs/dbraw/zinc/03/05/25/946030525.db2.gz VYGVROAMAXAOAK-JSGCOSHPSA-N 0 3 388.451 0.780 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573471698 946054860 /nfs/dbraw/zinc/05/48/60/946054860.db2.gz QKCAQCYZCIIGRY-MFKMUULPSA-N 0 3 375.408 0.221 20 0 GCADHN O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)C12CC[NH+](CC1)C2 ZINC001571291063 946064716 /nfs/dbraw/zinc/06/47/16/946064716.db2.gz ZZDYUPIYGJXELF-LBPRGKRZSA-N 0 3 388.863 0.706 20 0 GCADHN O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)C12CC[NH+](CC1)C2 ZINC001571291063 946064728 /nfs/dbraw/zinc/06/47/28/946064728.db2.gz ZZDYUPIYGJXELF-LBPRGKRZSA-N 0 3 388.863 0.706 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CCC[C@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001571291080 946066560 /nfs/dbraw/zinc/06/65/60/946066560.db2.gz ANEWIXHNKSXISU-GXTWGEPZSA-N 0 3 389.391 0.195 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573472935 946070098 /nfs/dbraw/zinc/07/00/98/946070098.db2.gz XZELEDSNQNRGJR-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573472935 946070114 /nfs/dbraw/zinc/07/01/14/946070114.db2.gz XZELEDSNQNRGJR-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571291185 946072201 /nfs/dbraw/zinc/07/22/01/946072201.db2.gz FRRNMKDKNGSWHZ-RISCZKNCSA-N 0 3 389.391 0.147 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571291185 946072211 /nfs/dbraw/zinc/07/22/11/946072211.db2.gz FRRNMKDKNGSWHZ-RISCZKNCSA-N 0 3 389.391 0.147 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472998 946073118 /nfs/dbraw/zinc/07/31/18/946073118.db2.gz YUQYLAHIGFFKHS-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573472998 946073126 /nfs/dbraw/zinc/07/31/26/946073126.db2.gz YUQYLAHIGFFKHS-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573472961 946074637 /nfs/dbraw/zinc/07/46/37/946074637.db2.gz YKHYCBZLHNFETK-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573472961 946074645 /nfs/dbraw/zinc/07/46/45/946074645.db2.gz YKHYCBZLHNFETK-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573473881 946081587 /nfs/dbraw/zinc/08/15/87/946081587.db2.gz GGRRTVPRNJLZQD-OHUAYANFSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573473881 946081598 /nfs/dbraw/zinc/08/15/98/946081598.db2.gz GGRRTVPRNJLZQD-OHUAYANFSA-N 0 3 389.435 0.467 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571292030 946087415 /nfs/dbraw/zinc/08/74/15/946087415.db2.gz TUIYLFRVUWOQSI-BXUZGUMPSA-N 0 3 389.391 0.195 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571292032 946088166 /nfs/dbraw/zinc/08/81/66/946088166.db2.gz TUIYLFRVUWOQSI-RISCZKNCSA-N 0 3 389.391 0.195 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573474181 946089447 /nfs/dbraw/zinc/08/94/47/946089447.db2.gz IXWXGKSTZQDLEC-CWTRNNRKSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573474181 946089459 /nfs/dbraw/zinc/08/94/59/946089459.db2.gz IXWXGKSTZQDLEC-CWTRNNRKSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573474622 946091470 /nfs/dbraw/zinc/09/14/70/946091470.db2.gz LXUVJCKQAAEBGL-BUXKBTBVSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573474622 946091481 /nfs/dbraw/zinc/09/14/81/946091481.db2.gz LXUVJCKQAAEBGL-BUXKBTBVSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573474808 946094482 /nfs/dbraw/zinc/09/44/82/946094482.db2.gz NYODTLKGWGBKAV-GWCFXTLKSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573474808 946094489 /nfs/dbraw/zinc/09/44/89/946094489.db2.gz NYODTLKGWGBKAV-GWCFXTLKSA-N 0 3 375.408 0.221 20 0 GCADHN CCO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001571293672 946113116 /nfs/dbraw/zinc/11/31/16/946113116.db2.gz OQVQMADJZKRRDZ-XJKCOSOUSA-N 0 3 389.460 0.298 20 0 GCADHN CCO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001571293672 946113128 /nfs/dbraw/zinc/11/31/28/946113128.db2.gz OQVQMADJZKRRDZ-XJKCOSOUSA-N 0 3 389.460 0.298 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573476188 946116875 /nfs/dbraw/zinc/11/68/75/946116875.db2.gz DDZAOAGJOMSXIP-MGPLVRAMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573476188 946116884 /nfs/dbraw/zinc/11/68/84/946116884.db2.gz DDZAOAGJOMSXIP-MGPLVRAMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C ZINC001573478764 946150705 /nfs/dbraw/zinc/15/07/05/946150705.db2.gz YICSRAITFRGKPF-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN Cn1cc(C[C@H]2CC[N@H+](C[C@H](O)COc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822673873 946153794 /nfs/dbraw/zinc/15/37/94/946153794.db2.gz FHDIGRORWLWFLH-PBHICJAKSA-N 0 3 383.456 0.905 20 0 GCADHN Cn1cc(C[C@H]2CC[N@@H+](C[C@H](O)COc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822673873 946153800 /nfs/dbraw/zinc/15/38/00/946153800.db2.gz FHDIGRORWLWFLH-PBHICJAKSA-N 0 3 383.456 0.905 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573479585 946163973 /nfs/dbraw/zinc/16/39/73/946163973.db2.gz FOCLEKLSLMWOSH-DLRQAJBASA-N 0 3 375.408 0.292 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573479826 946168235 /nfs/dbraw/zinc/16/82/35/946168235.db2.gz HTDVGYITOYAKHF-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573479826 946168240 /nfs/dbraw/zinc/16/82/40/946168240.db2.gz HTDVGYITOYAKHF-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCC1 ZINC001573481006 946179541 /nfs/dbraw/zinc/17/95/41/946179541.db2.gz NHVBGWBAPYTBND-NSHDSACASA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCC1 ZINC001573481006 946179551 /nfs/dbraw/zinc/17/95/51/946179551.db2.gz NHVBGWBAPYTBND-NSHDSACASA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573481856 946187294 /nfs/dbraw/zinc/18/72/94/946187294.db2.gz SCGNWHUBILSTCI-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573481856 946187301 /nfs/dbraw/zinc/18/73/01/946187301.db2.gz SCGNWHUBILSTCI-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573481701 946187816 /nfs/dbraw/zinc/18/78/16/946187816.db2.gz RBSBBDJOYRXEIJ-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001573481701 946187823 /nfs/dbraw/zinc/18/78/23/946187823.db2.gz RBSBBDJOYRXEIJ-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC[N@H+](Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573483325 946206093 /nfs/dbraw/zinc/20/60/93/946206093.db2.gz DLGYJRWKAGEJDX-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC[N@@H+](Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573483325 946206103 /nfs/dbraw/zinc/20/61/03/946206103.db2.gz DLGYJRWKAGEJDX-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC[N@H+](Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573483325 946206112 /nfs/dbraw/zinc/20/61/12/946206112.db2.gz DLGYJRWKAGEJDX-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC[N@@H+](Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573483325 946206122 /nfs/dbraw/zinc/20/61/22/946206122.db2.gz DLGYJRWKAGEJDX-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573483685 946211539 /nfs/dbraw/zinc/21/15/39/946211539.db2.gz GXHMEPAOTPUAJC-ISTRZQFTSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573483685 946211549 /nfs/dbraw/zinc/21/15/49/946211549.db2.gz GXHMEPAOTPUAJC-ISTRZQFTSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573485005 946221471 /nfs/dbraw/zinc/22/14/71/946221471.db2.gz OYZJNAOQMLBWSD-LEWSCRJBSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573485005 946221480 /nfs/dbraw/zinc/22/14/80/946221480.db2.gz OYZJNAOQMLBWSD-LEWSCRJBSA-N 0 3 389.435 0.515 20 0 GCADHN O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001571298626 946225811 /nfs/dbraw/zinc/22/58/11/946225811.db2.gz BPIXJXCXVBSMDV-UHFFFAOYSA-N 0 3 390.879 0.769 20 0 GCADHN O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001571298626 946225824 /nfs/dbraw/zinc/22/58/24/946225824.db2.gz BPIXJXCXVBSMDV-UHFFFAOYSA-N 0 3 390.879 0.769 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573485716 946231818 /nfs/dbraw/zinc/23/18/18/946231818.db2.gz XNXXKTIBSMVRGA-HONMWMINSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573485716 946231826 /nfs/dbraw/zinc/23/18/26/946231826.db2.gz XNXXKTIBSMVRGA-HONMWMINSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573486096 946236915 /nfs/dbraw/zinc/23/69/15/946236915.db2.gz CKWDPYXBYCENBP-BPNCWPANSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573486096 946236923 /nfs/dbraw/zinc/23/69/23/946236923.db2.gz CKWDPYXBYCENBP-BPNCWPANSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573487504 946254459 /nfs/dbraw/zinc/25/44/59/946254459.db2.gz PJJWGEUIDNPQAW-OASPWFOLSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573487504 946254466 /nfs/dbraw/zinc/25/44/66/946254466.db2.gz PJJWGEUIDNPQAW-OASPWFOLSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)NC1(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573489068 946285249 /nfs/dbraw/zinc/28/52/49/946285249.db2.gz WOANDAUYKZVOBQ-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573489068 946285257 /nfs/dbraw/zinc/28/52/57/946285257.db2.gz WOANDAUYKZVOBQ-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001573489033 946285423 /nfs/dbraw/zinc/28/54/23/946285423.db2.gz UZIJWZBLMFGYSL-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001573489033 946285428 /nfs/dbraw/zinc/28/54/28/946285428.db2.gz UZIJWZBLMFGYSL-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NCC(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573496893 946335013 /nfs/dbraw/zinc/33/50/13/946335013.db2.gz GQEFFIZGUZYXBF-UHFFFAOYSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573496893 946335021 /nfs/dbraw/zinc/33/50/21/946335021.db2.gz GQEFFIZGUZYXBF-UHFFFAOYSA-N 0 3 375.408 0.221 20 0 GCADHN O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000823210616 946345041 /nfs/dbraw/zinc/34/50/41/946345041.db2.gz CFFXMIFYUVWGKH-HNNXBMFYSA-N 0 3 389.460 0.392 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573499729 946369471 /nfs/dbraw/zinc/36/94/71/946369471.db2.gz FWNYMVDQUYOGAZ-ZUZCIYMTSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573500927 946376644 /nfs/dbraw/zinc/37/66/44/946376644.db2.gz LSQRIQBCBFDLTA-ABAIWWIYSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573500927 946376661 /nfs/dbraw/zinc/37/66/61/946376661.db2.gz LSQRIQBCBFDLTA-ABAIWWIYSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573502411 946384039 /nfs/dbraw/zinc/38/40/39/946384039.db2.gz VGPAGRSAXHJCMU-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573502411 946384046 /nfs/dbraw/zinc/38/40/46/946384046.db2.gz VGPAGRSAXHJCMU-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573502424 946385037 /nfs/dbraw/zinc/38/50/37/946385037.db2.gz VMPFCEIMGFONJE-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573502424 946385051 /nfs/dbraw/zinc/38/50/51/946385051.db2.gz VMPFCEIMGFONJE-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573502410 946385678 /nfs/dbraw/zinc/38/56/78/946385678.db2.gz VGPAGRSAXHJCMU-KRWDZBQOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573502410 946385688 /nfs/dbraw/zinc/38/56/88/946385688.db2.gz VGPAGRSAXHJCMU-KRWDZBQOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H](C)C1 ZINC001573503550 946393351 /nfs/dbraw/zinc/39/33/51/946393351.db2.gz ADXWSNUAYWVBAW-ZBEGNZNMSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)[C@@H](C)C1 ZINC001573503550 946393364 /nfs/dbraw/zinc/39/33/64/946393364.db2.gz ADXWSNUAYWVBAW-ZBEGNZNMSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@H](C)C1 ZINC001573503547 946393734 /nfs/dbraw/zinc/39/37/34/946393734.db2.gz ADXWSNUAYWVBAW-BZNIZROVSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)[C@H](C)C1 ZINC001573503547 946393741 /nfs/dbraw/zinc/39/37/41/946393741.db2.gz ADXWSNUAYWVBAW-BZNIZROVSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573503863 946400146 /nfs/dbraw/zinc/40/01/46/946400146.db2.gz CLBPTNBEHXYVSS-CYBMUJFWSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573503863 946400154 /nfs/dbraw/zinc/40/01/54/946400154.db2.gz CLBPTNBEHXYVSS-CYBMUJFWSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)NCC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573503910 946400948 /nfs/dbraw/zinc/40/09/48/946400948.db2.gz CPTJPLIZBOYCDY-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573503910 946400954 /nfs/dbraw/zinc/40/09/54/946400954.db2.gz CPTJPLIZBOYCDY-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573503908 946401394 /nfs/dbraw/zinc/40/13/94/946401394.db2.gz CPTJPLIZBOYCDY-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573503908 946401400 /nfs/dbraw/zinc/40/14/00/946401400.db2.gz CPTJPLIZBOYCDY-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573503929 946402296 /nfs/dbraw/zinc/40/22/96/946402296.db2.gz CWSJFJNDSFPAGO-BZNIZROVSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573503929 946402304 /nfs/dbraw/zinc/40/23/04/946402304.db2.gz CWSJFJNDSFPAGO-BZNIZROVSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573504841 946414746 /nfs/dbraw/zinc/41/47/46/946414746.db2.gz LMKIMPMWNUODTJ-GOSISDBHSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573504841 946414751 /nfs/dbraw/zinc/41/47/51/946414751.db2.gz LMKIMPMWNUODTJ-GOSISDBHSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573505460 946421313 /nfs/dbraw/zinc/42/13/13/946421313.db2.gz NZPIGGUOEDVPSA-CYBMUJFWSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573505460 946421320 /nfs/dbraw/zinc/42/13/20/946421320.db2.gz NZPIGGUOEDVPSA-CYBMUJFWSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505592 946422161 /nfs/dbraw/zinc/42/21/61/946422161.db2.gz LKRSNBVETSPWBF-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505592 946422169 /nfs/dbraw/zinc/42/21/69/946422169.db2.gz LKRSNBVETSPWBF-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](CN(C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573505811 946423274 /nfs/dbraw/zinc/42/32/74/946423274.db2.gz OKULBZQVQXSRGX-CYBMUJFWSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573505664 946424308 /nfs/dbraw/zinc/42/43/08/946424308.db2.gz MTADPDFEEHHHHL-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573505664 946424320 /nfs/dbraw/zinc/42/43/20/946424320.db2.gz MTADPDFEEHHHHL-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573506290 946430529 /nfs/dbraw/zinc/43/05/29/946430529.db2.gz QIVUXSCDFGVJLI-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573506290 946430539 /nfs/dbraw/zinc/43/05/39/946430539.db2.gz QIVUXSCDFGVJLI-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H]1C ZINC001573506837 946439300 /nfs/dbraw/zinc/43/93/00/946439300.db2.gz UOIFZBOJRLMSPL-ZUZCIYMTSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573507411 946444973 /nfs/dbraw/zinc/44/49/73/946444973.db2.gz XSQSTUAUDFMKLW-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573507411 946444980 /nfs/dbraw/zinc/44/49/80/946444980.db2.gz XSQSTUAUDFMKLW-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573508068 946453448 /nfs/dbraw/zinc/45/34/48/946453448.db2.gz XZVVVMYTJMHCSZ-ZDUSSCGKSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573508068 946453455 /nfs/dbraw/zinc/45/34/55/946453455.db2.gz XZVVVMYTJMHCSZ-ZDUSSCGKSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573509598 946463459 /nfs/dbraw/zinc/46/34/59/946463459.db2.gz OOSHNRQLFFYYDB-MRXNPFEDSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573509598 946463468 /nfs/dbraw/zinc/46/34/68/946463468.db2.gz OOSHNRQLFFYYDB-MRXNPFEDSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573509598 946463478 /nfs/dbraw/zinc/46/34/78/946463478.db2.gz OOSHNRQLFFYYDB-MRXNPFEDSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573509598 946463485 /nfs/dbraw/zinc/46/34/85/946463485.db2.gz OOSHNRQLFFYYDB-MRXNPFEDSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573510169 946470659 /nfs/dbraw/zinc/47/06/59/946470659.db2.gz ATZQHCLSKGDHKB-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573510169 946470667 /nfs/dbraw/zinc/47/06/67/946470667.db2.gz ATZQHCLSKGDHKB-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573510169 946470670 /nfs/dbraw/zinc/47/06/70/946470670.db2.gz ATZQHCLSKGDHKB-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573510169 946470676 /nfs/dbraw/zinc/47/06/76/946470676.db2.gz ATZQHCLSKGDHKB-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573510168 946471032 /nfs/dbraw/zinc/47/10/32/946471032.db2.gz ATZQHCLSKGDHKB-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573510168 946471036 /nfs/dbraw/zinc/47/10/36/946471036.db2.gz ATZQHCLSKGDHKB-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573510168 946471043 /nfs/dbraw/zinc/47/10/43/946471043.db2.gz ATZQHCLSKGDHKB-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573510168 946471048 /nfs/dbraw/zinc/47/10/48/946471048.db2.gz ATZQHCLSKGDHKB-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573510071 946471943 /nfs/dbraw/zinc/47/19/43/946471943.db2.gz XWICBEISKBQCQP-DOTOQJQBSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573510071 946471951 /nfs/dbraw/zinc/47/19/51/946471951.db2.gz XWICBEISKBQCQP-DOTOQJQBSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573510071 946471955 /nfs/dbraw/zinc/47/19/55/946471955.db2.gz XWICBEISKBQCQP-DOTOQJQBSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573510071 946471962 /nfs/dbraw/zinc/47/19/62/946471962.db2.gz XWICBEISKBQCQP-DOTOQJQBSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)CC(C)C ZINC001573511446 946485063 /nfs/dbraw/zinc/48/50/63/946485063.db2.gz QKXXTOYHNUJFCB-AWEZNQCLSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573511581 946487463 /nfs/dbraw/zinc/48/74/63/946487463.db2.gz BTNDDUZAYLVCEP-GDBMZVCRSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573511581 946487469 /nfs/dbraw/zinc/48/74/69/946487469.db2.gz BTNDDUZAYLVCEP-GDBMZVCRSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573511844 946492181 /nfs/dbraw/zinc/49/21/81/946492181.db2.gz SYKBBHFOVLMEBA-HNNXBMFYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573511844 946492186 /nfs/dbraw/zinc/49/21/86/946492186.db2.gz SYKBBHFOVLMEBA-HNNXBMFYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573511998 946493130 /nfs/dbraw/zinc/49/31/30/946493130.db2.gz CUFFMQCKLMYTQJ-XIRDDKMYSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573511998 946493138 /nfs/dbraw/zinc/49/31/38/946493138.db2.gz CUFFMQCKLMYTQJ-XIRDDKMYSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001573511998 946493141 /nfs/dbraw/zinc/49/31/41/946493141.db2.gz CUFFMQCKLMYTQJ-XIRDDKMYSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001573511998 946493152 /nfs/dbraw/zinc/49/31/52/946493152.db2.gz CUFFMQCKLMYTQJ-XIRDDKMYSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573512200 946495153 /nfs/dbraw/zinc/49/51/53/946495153.db2.gz VZOHDLYCZZEMTM-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573512200 946495159 /nfs/dbraw/zinc/49/51/59/946495159.db2.gz VZOHDLYCZZEMTM-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573512200 946495161 /nfs/dbraw/zinc/49/51/61/946495161.db2.gz VZOHDLYCZZEMTM-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573512200 946495168 /nfs/dbraw/zinc/49/51/68/946495168.db2.gz VZOHDLYCZZEMTM-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573512251 946495245 /nfs/dbraw/zinc/49/52/45/946495245.db2.gz WYRPVWUIEAYFPT-OKILXGFUSA-N 0 3 387.419 0.032 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573512251 946495252 /nfs/dbraw/zinc/49/52/52/946495252.db2.gz WYRPVWUIEAYFPT-OKILXGFUSA-N 0 3 387.419 0.032 20 0 GCADHN CC(=O)NCC(=O)NC1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573512959 946506021 /nfs/dbraw/zinc/50/60/21/946506021.db2.gz JNGRSMXNAUZVPT-UHFFFAOYSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)NC1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573512959 946506030 /nfs/dbraw/zinc/50/60/30/946506030.db2.gz JNGRSMXNAUZVPT-UHFFFAOYSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)NC1CCC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573513280 946509826 /nfs/dbraw/zinc/50/98/26/946509826.db2.gz MEQQOEPUYHAKMR-UHFFFAOYSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)NC1CCC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573513280 946509838 /nfs/dbraw/zinc/50/98/38/946509838.db2.gz MEQQOEPUYHAKMR-UHFFFAOYSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573513701 946513094 /nfs/dbraw/zinc/51/30/94/946513094.db2.gz PNAVGZCGQFBODT-ALOPSCKCSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573513701 946513101 /nfs/dbraw/zinc/51/31/01/946513101.db2.gz PNAVGZCGQFBODT-ALOPSCKCSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573513701 946513111 /nfs/dbraw/zinc/51/31/11/946513111.db2.gz PNAVGZCGQFBODT-ALOPSCKCSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573513701 946513115 /nfs/dbraw/zinc/51/31/15/946513115.db2.gz PNAVGZCGQFBODT-ALOPSCKCSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573513877 946515237 /nfs/dbraw/zinc/51/52/37/946515237.db2.gz QMGJGRWSUHOEQH-KGLIPLIRSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573513877 946515247 /nfs/dbraw/zinc/51/52/47/946515247.db2.gz QMGJGRWSUHOEQH-KGLIPLIRSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573513960 946518333 /nfs/dbraw/zinc/51/83/33/946518333.db2.gz RWFYKSHBNNNDQE-LSDHHAIUSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573513960 946518336 /nfs/dbraw/zinc/51/83/36/946518336.db2.gz RWFYKSHBNNNDQE-LSDHHAIUSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573513959 946518463 /nfs/dbraw/zinc/51/84/63/946518463.db2.gz RWFYKSHBNNNDQE-HUUCEWRRSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573513959 946518470 /nfs/dbraw/zinc/51/84/70/946518470.db2.gz RWFYKSHBNNNDQE-HUUCEWRRSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573514152 946521371 /nfs/dbraw/zinc/52/13/71/946521371.db2.gz TTXOEEOYFGAIBI-UAGQMJEPSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573514152 946521378 /nfs/dbraw/zinc/52/13/78/946521378.db2.gz TTXOEEOYFGAIBI-UAGQMJEPSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC001573514152 946521391 /nfs/dbraw/zinc/52/13/91/946521391.db2.gz TTXOEEOYFGAIBI-UAGQMJEPSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC001573514152 946521399 /nfs/dbraw/zinc/52/13/99/946521399.db2.gz TTXOEEOYFGAIBI-UAGQMJEPSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C12CCC2 ZINC001573514279 946525602 /nfs/dbraw/zinc/52/56/02/946525602.db2.gz WMSLIHTUPYTBCB-HOTGVXAUSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C12CCC2 ZINC001573514279 946525612 /nfs/dbraw/zinc/52/56/12/946525612.db2.gz WMSLIHTUPYTBCB-HOTGVXAUSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@H](C)C1 ZINC001573515972 946554534 /nfs/dbraw/zinc/55/45/34/946554534.db2.gz UHROGWIUJHZDCP-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@H](C)C1 ZINC001573515972 946554540 /nfs/dbraw/zinc/55/45/40/946554540.db2.gz UHROGWIUJHZDCP-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573516465 946562960 /nfs/dbraw/zinc/56/29/60/946562960.db2.gz ZXYNYKOHCBKRLU-OAHLLOKOSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573516465 946562964 /nfs/dbraw/zinc/56/29/64/946562964.db2.gz ZXYNYKOHCBKRLU-OAHLLOKOSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573516956 946565520 /nfs/dbraw/zinc/56/55/20/946565520.db2.gz AOOAQYGAKBMPQE-IBGZPJMESA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573516956 946565526 /nfs/dbraw/zinc/56/55/26/946565526.db2.gz AOOAQYGAKBMPQE-IBGZPJMESA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573516956 946565533 /nfs/dbraw/zinc/56/55/33/946565533.db2.gz AOOAQYGAKBMPQE-IBGZPJMESA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573516956 946565541 /nfs/dbraw/zinc/56/55/41/946565541.db2.gz AOOAQYGAKBMPQE-IBGZPJMESA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573517868 946585496 /nfs/dbraw/zinc/58/54/96/946585496.db2.gz TYQCNNYKHNFBQB-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573517868 946585505 /nfs/dbraw/zinc/58/55/05/946585505.db2.gz TYQCNNYKHNFBQB-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573521706 946610722 /nfs/dbraw/zinc/61/07/22/946610722.db2.gz BUZSCQVETFRJFS-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573521706 946610726 /nfs/dbraw/zinc/61/07/26/946610726.db2.gz BUZSCQVETFRJFS-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573522846 946629659 /nfs/dbraw/zinc/62/96/59/946629659.db2.gz LEVFKLGUTKGWNU-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573522846 946629662 /nfs/dbraw/zinc/62/96/62/946629662.db2.gz LEVFKLGUTKGWNU-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573522846 946629664 /nfs/dbraw/zinc/62/96/64/946629664.db2.gz LEVFKLGUTKGWNU-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573522846 946629666 /nfs/dbraw/zinc/62/96/66/946629666.db2.gz LEVFKLGUTKGWNU-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573523201 946634902 /nfs/dbraw/zinc/63/49/02/946634902.db2.gz PPWALMKQFBZZBM-INIZCTEOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537392 946748073 /nfs/dbraw/zinc/74/80/73/946748073.db2.gz MWLFTZVLSHDRDH-NVXWUHKLSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537392 946748086 /nfs/dbraw/zinc/74/80/86/946748086.db2.gz MWLFTZVLSHDRDH-NVXWUHKLSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573537558 946753666 /nfs/dbraw/zinc/75/36/66/946753666.db2.gz OTHCJEFASIVKAJ-QGZVFWFLSA-N 0 3 387.488 0.918 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573537558 946753674 /nfs/dbraw/zinc/75/36/74/946753674.db2.gz OTHCJEFASIVKAJ-QGZVFWFLSA-N 0 3 387.488 0.918 20 0 GCADHN CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000326399060 971289920 /nfs/dbraw/zinc/28/99/20/971289920.db2.gz IAYPMGBOSKWYOS-UHFFFAOYSA-N 0 3 376.504 0.488 20 0 GCADHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826028451 947406466 /nfs/dbraw/zinc/40/64/66/947406466.db2.gz ANHGPUUCHVICDS-DZGCQCFKSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826028451 947406478 /nfs/dbraw/zinc/40/64/78/947406478.db2.gz ANHGPUUCHVICDS-DZGCQCFKSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826028451 947406484 /nfs/dbraw/zinc/40/64/84/947406484.db2.gz ANHGPUUCHVICDS-DZGCQCFKSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826028451 947406490 /nfs/dbraw/zinc/40/64/90/947406490.db2.gz ANHGPUUCHVICDS-DZGCQCFKSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826028814 947410261 /nfs/dbraw/zinc/41/02/61/947410261.db2.gz ILBSLUANPPHRJA-CABCVRRESA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826028814 947410266 /nfs/dbraw/zinc/41/02/66/947410266.db2.gz ILBSLUANPPHRJA-CABCVRRESA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826028814 947410274 /nfs/dbraw/zinc/41/02/74/947410274.db2.gz ILBSLUANPPHRJA-CABCVRRESA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826028814 947410280 /nfs/dbraw/zinc/41/02/80/947410280.db2.gz ILBSLUANPPHRJA-CABCVRRESA-N 0 3 385.476 0.799 20 0 GCADHN C[C@H](C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCCCC1 ZINC001573607309 947544930 /nfs/dbraw/zinc/54/49/30/947544930.db2.gz JIHZUBWXXSUZDZ-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1-c1nnn[n-]1 ZINC000826203015 947602894 /nfs/dbraw/zinc/60/28/94/947602894.db2.gz WGPSTJSSXAHRGU-SUMWQHHRSA-N 0 3 393.469 0.701 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1-c1nn[n-]n1 ZINC000826203015 947602899 /nfs/dbraw/zinc/60/28/99/947602899.db2.gz WGPSTJSSXAHRGU-SUMWQHHRSA-N 0 3 393.469 0.701 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573616296 947621394 /nfs/dbraw/zinc/62/13/94/947621394.db2.gz MPZBUTVPJHSHGH-STQMWFEESA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573616296 947621397 /nfs/dbraw/zinc/62/13/97/947621397.db2.gz MPZBUTVPJHSHGH-STQMWFEESA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1)n1cncn1 ZINC001573617033 947632426 /nfs/dbraw/zinc/63/24/26/947632426.db2.gz KUBNYUMAFUZBRF-ZDUSSCGKSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1)n1cncn1 ZINC001573617033 947632432 /nfs/dbraw/zinc/63/24/32/947632432.db2.gz KUBNYUMAFUZBRF-ZDUSSCGKSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573617389 947634989 /nfs/dbraw/zinc/63/49/89/947634989.db2.gz OZHUKOGVZYWGDV-DZGCQCFKSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573617389 947634995 /nfs/dbraw/zinc/63/49/95/947634995.db2.gz OZHUKOGVZYWGDV-DZGCQCFKSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573618430 947651203 /nfs/dbraw/zinc/65/12/03/947651203.db2.gz QWSVHGPZBMLHJM-RISCZKNCSA-N 0 3 385.407 0.549 20 0 GCADHN C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573618430 947651210 /nfs/dbraw/zinc/65/12/10/947651210.db2.gz QWSVHGPZBMLHJM-RISCZKNCSA-N 0 3 385.407 0.549 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCCC1 ZINC001573625233 947698543 /nfs/dbraw/zinc/69/85/43/947698543.db2.gz OOYJGUIDEHYFNB-KBPBESRZSA-N 0 3 385.476 0.934 20 0 GCADHN Cc1c(Cl)cnc(N2CCO[C@@H](CN3CCN(C)CC3)C2)c1-c1nn[nH]n1 ZINC000826238941 947706577 /nfs/dbraw/zinc/70/65/77/947706577.db2.gz TZGRYBDFRHCUCE-ZDUSSCGKSA-N 0 3 392.895 0.676 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCCC1 ZINC001573627113 947716212 /nfs/dbraw/zinc/71/62/12/947716212.db2.gz YXLIZTNRNIKTKY-KGLIPLIRSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCCC1 ZINC001573627114 947717145 /nfs/dbraw/zinc/71/71/45/947717145.db2.gz YXLIZTNRNIKTKY-UONOGXRCSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573628793 947764905 /nfs/dbraw/zinc/76/49/05/947764905.db2.gz OGGRNZBMFMGCKO-JSGCOSHPSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573630288 947789894 /nfs/dbraw/zinc/78/98/94/947789894.db2.gz XQUCKNVTHFCHNO-BBRMVZONSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573630288 947789901 /nfs/dbraw/zinc/78/99/01/947789901.db2.gz XQUCKNVTHFCHNO-BBRMVZONSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[NH+]1CCCCCC1 ZINC001573644035 947868012 /nfs/dbraw/zinc/86/80/12/947868012.db2.gz XCCCJZDWBLNKAQ-AWEZNQCLSA-N 0 3 385.476 0.570 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573388107 947914281 /nfs/dbraw/zinc/91/42/81/947914281.db2.gz HYKBDLFCVHASAF-UHFFFAOYSA-N 0 3 387.488 0.919 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573388107 947914288 /nfs/dbraw/zinc/91/42/88/947914288.db2.gz HYKBDLFCVHASAF-UHFFFAOYSA-N 0 3 387.488 0.919 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573388119 947914441 /nfs/dbraw/zinc/91/44/41/947914441.db2.gz IDKWMKFWSYVKLV-MEDUHNTESA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573388119 947914449 /nfs/dbraw/zinc/91/44/49/947914449.db2.gz IDKWMKFWSYVKLV-MEDUHNTESA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573389480 947924265 /nfs/dbraw/zinc/92/42/65/947924265.db2.gz RLNFKNLMTKYMBR-UHFFFAOYSA-N 0 3 387.488 0.919 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573389480 947924268 /nfs/dbraw/zinc/92/42/68/947924268.db2.gz RLNFKNLMTKYMBR-UHFFFAOYSA-N 0 3 387.488 0.919 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573389120 947924310 /nfs/dbraw/zinc/92/43/10/947924310.db2.gz QNIHSAMGCZGJSP-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573389530 947926439 /nfs/dbraw/zinc/92/64/39/947926439.db2.gz SCXQWIWLABTZQK-BZNIZROVSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573389522 947926853 /nfs/dbraw/zinc/92/68/53/947926853.db2.gz RZOIWWBLGYTKQU-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573389522 947926856 /nfs/dbraw/zinc/92/68/56/947926856.db2.gz RZOIWWBLGYTKQU-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573390183 947928710 /nfs/dbraw/zinc/92/87/10/947928710.db2.gz XCBDWDHVVCSZHJ-LBPRGKRZSA-N 0 3 377.474 0.439 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573390183 947928712 /nfs/dbraw/zinc/92/87/12/947928712.db2.gz XCBDWDHVVCSZHJ-LBPRGKRZSA-N 0 3 377.474 0.439 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573390672 947932546 /nfs/dbraw/zinc/93/25/46/947932546.db2.gz ZWUGSNQOJGFVOF-DYVFJYSZSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573390672 947932550 /nfs/dbraw/zinc/93/25/50/947932550.db2.gz ZWUGSNQOJGFVOF-DYVFJYSZSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573394454 947964923 /nfs/dbraw/zinc/96/49/23/947964923.db2.gz UMOIVYCEAWMKQS-CYBMUJFWSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573394454 947964931 /nfs/dbraw/zinc/96/49/31/947964931.db2.gz UMOIVYCEAWMKQS-CYBMUJFWSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573394798 947966697 /nfs/dbraw/zinc/96/66/97/947966697.db2.gz WDZIYRZWLOHEKX-CYBMUJFWSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573394798 947966699 /nfs/dbraw/zinc/96/66/99/947966699.db2.gz WDZIYRZWLOHEKX-CYBMUJFWSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573394799 947966800 /nfs/dbraw/zinc/96/68/00/947966800.db2.gz WDZIYRZWLOHEKX-ZDUSSCGKSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573394799 947966801 /nfs/dbraw/zinc/96/68/01/947966801.db2.gz WDZIYRZWLOHEKX-ZDUSSCGKSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573397589 947974956 /nfs/dbraw/zinc/97/49/56/947974956.db2.gz CJJNXRLQQDWDSP-INIZCTEOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573397589 947974960 /nfs/dbraw/zinc/97/49/60/947974960.db2.gz CJJNXRLQQDWDSP-INIZCTEOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573397860 947975726 /nfs/dbraw/zinc/97/57/26/947975726.db2.gz FFAARGNAWBCHOW-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573397860 947975736 /nfs/dbraw/zinc/97/57/36/947975736.db2.gz FFAARGNAWBCHOW-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573398312 947979496 /nfs/dbraw/zinc/97/94/96/947979496.db2.gz JEOUHUKPFQWXML-NWDGAFQWSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573398312 947979500 /nfs/dbraw/zinc/97/95/00/947979500.db2.gz JEOUHUKPFQWXML-NWDGAFQWSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573398340 947980536 /nfs/dbraw/zinc/98/05/36/947980536.db2.gz JWRUADVHTPSJQY-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573398693 947985046 /nfs/dbraw/zinc/98/50/46/947985046.db2.gz OSHMLGUJLWZNKI-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN Cc1onc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1-c1nnn[n-]1 ZINC000826342933 947986069 /nfs/dbraw/zinc/98/60/69/947986069.db2.gz GEGWDWJRFZKPKV-AWEZNQCLSA-N 0 3 388.476 0.333 20 0 GCADHN Cc1onc(CC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1-c1nnn[n-]1 ZINC000826342933 947986076 /nfs/dbraw/zinc/98/60/76/947986076.db2.gz GEGWDWJRFZKPKV-AWEZNQCLSA-N 0 3 388.476 0.333 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)CC(C)C ZINC001573398916 947987617 /nfs/dbraw/zinc/98/76/17/947987617.db2.gz QQINDBPFRVWJNN-MRXNPFEDSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)CC(C)C ZINC001573398916 947987623 /nfs/dbraw/zinc/98/76/23/947987623.db2.gz QQINDBPFRVWJNN-MRXNPFEDSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)CC(C)C ZINC001573399342 947992523 /nfs/dbraw/zinc/99/25/23/947992523.db2.gz VMQMJCBHPOYUKH-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)CC(C)C ZINC001573399342 947992528 /nfs/dbraw/zinc/99/25/28/947992528.db2.gz VMQMJCBHPOYUKH-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573401866 948001074 /nfs/dbraw/zinc/00/10/74/948001074.db2.gz DTOFGUVGCHCZHD-SJORKVTESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573401866 948001080 /nfs/dbraw/zinc/00/10/80/948001080.db2.gz DTOFGUVGCHCZHD-SJORKVTESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573403408 948008281 /nfs/dbraw/zinc/00/82/81/948008281.db2.gz MDUUVIQDQBYSGX-DOTOQJQBSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573403408 948008287 /nfs/dbraw/zinc/00/82/87/948008287.db2.gz MDUUVIQDQBYSGX-DOTOQJQBSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573403410 948008769 /nfs/dbraw/zinc/00/87/69/948008769.db2.gz MDUUVIQDQBYSGX-RDJZCZTQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573403410 948008778 /nfs/dbraw/zinc/00/87/78/948008778.db2.gz MDUUVIQDQBYSGX-RDJZCZTQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C ZINC001573403710 948013900 /nfs/dbraw/zinc/01/39/00/948013900.db2.gz NUFGTZLKJYGSMR-MRXNPFEDSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573404434 948023562 /nfs/dbraw/zinc/02/35/62/948023562.db2.gz DXVJAFQTRYAZOM-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573404434 948023571 /nfs/dbraw/zinc/02/35/71/948023571.db2.gz DXVJAFQTRYAZOM-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NCCC1(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573404433 948023949 /nfs/dbraw/zinc/02/39/49/948023949.db2.gz DVZMHZISRJHRFR-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N(C)CC(=O)NCCC1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573404433 948023960 /nfs/dbraw/zinc/02/39/60/948023960.db2.gz DVZMHZISRJHRFR-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573404759 948031078 /nfs/dbraw/zinc/03/10/78/948031078.db2.gz WCALJYXBAMVBSP-SJORKVTESA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573404759 948031086 /nfs/dbraw/zinc/03/10/86/948031086.db2.gz WCALJYXBAMVBSP-SJORKVTESA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573663463 948037427 /nfs/dbraw/zinc/03/74/27/948037427.db2.gz LYXZTKASZJOIEP-VXGBXAGGSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573663463 948037433 /nfs/dbraw/zinc/03/74/33/948037433.db2.gz LYXZTKASZJOIEP-VXGBXAGGSA-N 0 3 386.460 0.304 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573406418 948052858 /nfs/dbraw/zinc/05/28/58/948052858.db2.gz GNZRRDOTMNFIDO-DOTOQJQBSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573406418 948052866 /nfs/dbraw/zinc/05/28/66/948052866.db2.gz GNZRRDOTMNFIDO-DOTOQJQBSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573406537 948053835 /nfs/dbraw/zinc/05/38/35/948053835.db2.gz JVLBKZUVHYQPJB-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001573406537 948053843 /nfs/dbraw/zinc/05/38/43/948053843.db2.gz JVLBKZUVHYQPJB-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC001573406750 948058737 /nfs/dbraw/zinc/05/87/37/948058737.db2.gz QEYFPDGOWJZOQQ-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC001573406750 948058744 /nfs/dbraw/zinc/05/87/44/948058744.db2.gz QEYFPDGOWJZOQQ-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC001573406750 948058752 /nfs/dbraw/zinc/05/87/52/948058752.db2.gz QEYFPDGOWJZOQQ-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC001573406750 948058762 /nfs/dbraw/zinc/05/87/62/948058762.db2.gz QEYFPDGOWJZOQQ-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573408724 948068908 /nfs/dbraw/zinc/06/89/08/948068908.db2.gz MUDWFRTYQQEDBJ-HDJSIYSDSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573408724 948068918 /nfs/dbraw/zinc/06/89/18/948068918.db2.gz MUDWFRTYQQEDBJ-HDJSIYSDSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573413643 948083999 /nfs/dbraw/zinc/08/39/99/948083999.db2.gz CJYPGBWBIRELOQ-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573413643 948084009 /nfs/dbraw/zinc/08/40/09/948084009.db2.gz CJYPGBWBIRELOQ-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573414907 948102276 /nfs/dbraw/zinc/10/22/76/948102276.db2.gz RRKREEVKIBGFJZ-MRXNPFEDSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573414907 948102286 /nfs/dbraw/zinc/10/22/86/948102286.db2.gz RRKREEVKIBGFJZ-MRXNPFEDSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573415344 948107214 /nfs/dbraw/zinc/10/72/14/948107214.db2.gz XTNWBQHVAKNWGD-OAHLLOKOSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573415344 948107220 /nfs/dbraw/zinc/10/72/20/948107220.db2.gz XTNWBQHVAKNWGD-OAHLLOKOSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)[C@@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573418536 948117671 /nfs/dbraw/zinc/11/76/71/948117671.db2.gz GTCPXNXSERBHJW-MNOVXSKESA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573418638 948119737 /nfs/dbraw/zinc/11/97/37/948119737.db2.gz HRLOYQPHFKOAKB-NSHDSACASA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573418638 948119741 /nfs/dbraw/zinc/11/97/41/948119741.db2.gz HRLOYQPHFKOAKB-NSHDSACASA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573677418 948136556 /nfs/dbraw/zinc/13/65/56/948136556.db2.gz AHFUKEPAUQCJAR-MLGOLLRUSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573677418 948136560 /nfs/dbraw/zinc/13/65/60/948136560.db2.gz AHFUKEPAUQCJAR-MLGOLLRUSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCCCC1 ZINC001573677655 948139564 /nfs/dbraw/zinc/13/95/64/948139564.db2.gz YKPKJQNNDPARFW-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC001573422256 948141384 /nfs/dbraw/zinc/14/13/84/948141384.db2.gz JIDOSSJNWUQWFT-KRWDZBQOSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC001573422256 948141393 /nfs/dbraw/zinc/14/13/93/948141393.db2.gz JIDOSSJNWUQWFT-KRWDZBQOSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)C1 ZINC001573423277 948143840 /nfs/dbraw/zinc/14/38/40/948143840.db2.gz OSEARRLUSZULQN-QGZVFWFLSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)C1 ZINC001573423277 948143845 /nfs/dbraw/zinc/14/38/45/948143845.db2.gz OSEARRLUSZULQN-QGZVFWFLSA-N 0 3 385.472 0.575 20 0 GCADHN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573677984 948145106 /nfs/dbraw/zinc/14/51/06/948145106.db2.gz BTMGGLWOKKVDMV-GXSJLCMTSA-N 0 3 386.378 0.864 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573424229 948147238 /nfs/dbraw/zinc/14/72/38/948147238.db2.gz UKBKRJGSEMHNSI-QZTJIDSGSA-N 0 3 397.483 0.862 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573424229 948147240 /nfs/dbraw/zinc/14/72/40/948147240.db2.gz UKBKRJGSEMHNSI-QZTJIDSGSA-N 0 3 397.483 0.862 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573425987 948154815 /nfs/dbraw/zinc/15/48/15/948154815.db2.gz GEPSOVCEGUOORK-HDJSIYSDSA-N 0 3 387.419 0.221 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001573425987 948154819 /nfs/dbraw/zinc/15/48/19/948154819.db2.gz GEPSOVCEGUOORK-HDJSIYSDSA-N 0 3 387.419 0.221 20 0 GCADHN CC(=O)N1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573429329 948170025 /nfs/dbraw/zinc/17/00/25/948170025.db2.gz HEVRXVCYVYDAAL-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573429329 948170035 /nfs/dbraw/zinc/17/00/35/948170035.db2.gz HEVRXVCYVYDAAL-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573680042 948171646 /nfs/dbraw/zinc/17/16/46/948171646.db2.gz LOXNOEOEHOQASC-BLLLJJGKSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573680042 948171650 /nfs/dbraw/zinc/17/16/50/948171650.db2.gz LOXNOEOEHOQASC-BLLLJJGKSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573681025 948193523 /nfs/dbraw/zinc/19/35/23/948193523.db2.gz RRZBAZAAJWADQN-SCZZXKLOSA-N 0 3 390.341 0.771 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NCC[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573434114 948207824 /nfs/dbraw/zinc/20/78/24/948207824.db2.gz OAIXZYPIPDWXAQ-IBGZPJMESA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NCC[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573434114 948207828 /nfs/dbraw/zinc/20/78/28/948207828.db2.gz OAIXZYPIPDWXAQ-IBGZPJMESA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573435338 948228484 /nfs/dbraw/zinc/22/84/84/948228484.db2.gz VRWUHKLVQYLUNW-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573435338 948228493 /nfs/dbraw/zinc/22/84/93/948228493.db2.gz VRWUHKLVQYLUNW-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573435456 948231219 /nfs/dbraw/zinc/23/12/19/948231219.db2.gz WYQWNAUCIQJQSU-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573435456 948231225 /nfs/dbraw/zinc/23/12/25/948231225.db2.gz WYQWNAUCIQJQSU-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)(F)F ZINC001573690917 948231484 /nfs/dbraw/zinc/23/14/84/948231484.db2.gz GWEMROOXNKEPGC-CABZTGNLSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)(F)F ZINC001573690917 948231490 /nfs/dbraw/zinc/23/14/90/948231490.db2.gz GWEMROOXNKEPGC-CABZTGNLSA-N 0 3 386.378 0.864 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573435723 948234797 /nfs/dbraw/zinc/23/47/97/948234797.db2.gz ZXYWEKFPOZRYDC-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573435723 948234806 /nfs/dbraw/zinc/23/48/06/948234806.db2.gz ZXYWEKFPOZRYDC-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[NH+]1CCCCCC1 ZINC001573691458 948243475 /nfs/dbraw/zinc/24/34/75/948243475.db2.gz HJHQOXMSOMVEED-ZDUSSCGKSA-N 0 3 385.476 0.982 20 0 GCADHN O=C(C[NH2+][C@H](CO)C1CCOCC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826412237 948249564 /nfs/dbraw/zinc/24/95/64/948249564.db2.gz HKEJSXWRQIMMBL-CQSZACIVSA-N 0 3 380.836 0.836 20 0 GCADHN C[C@@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCC1)n1cncn1 ZINC001573693028 948276249 /nfs/dbraw/zinc/27/62/49/948276249.db2.gz URFIWSITNYFRNP-ZDUSSCGKSA-N 0 3 381.444 0.848 20 0 GCADHN C[C@@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCC1)n1cncn1 ZINC001573693028 948276257 /nfs/dbraw/zinc/27/62/57/948276257.db2.gz URFIWSITNYFRNP-ZDUSSCGKSA-N 0 3 381.444 0.848 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)c1ccco1 ZINC001573693839 948289836 /nfs/dbraw/zinc/28/98/36/948289836.db2.gz UKUOFPVDOJQDAR-FZMZJTMJSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)c1ccco1 ZINC001573693839 948289845 /nfs/dbraw/zinc/28/98/45/948289845.db2.gz UKUOFPVDOJQDAR-FZMZJTMJSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCC1)n1cncn1 ZINC001573693846 948290175 /nfs/dbraw/zinc/29/01/75/948290175.db2.gz ZVLDVESVSLLSPQ-CYBMUJFWSA-N 0 3 381.444 0.848 20 0 GCADHN C[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573694209 948291188 /nfs/dbraw/zinc/29/11/88/948291188.db2.gz BGLFPSPTPCHOKM-XEBKBJJBSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573694209 948291208 /nfs/dbraw/zinc/29/12/08/948291208.db2.gz BGLFPSPTPCHOKM-XEBKBJJBSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573695060 948301400 /nfs/dbraw/zinc/30/14/00/948301400.db2.gz WSCFTUOMYVMEHA-PSASIEDQSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573695060 948301409 /nfs/dbraw/zinc/30/14/09/948301409.db2.gz WSCFTUOMYVMEHA-PSASIEDQSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573695186 948303359 /nfs/dbraw/zinc/30/33/59/948303359.db2.gz XEEAMQIWHOQTSQ-YPMHNXCESA-N 0 3 388.403 0.969 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573695186 948303369 /nfs/dbraw/zinc/30/33/69/948303369.db2.gz XEEAMQIWHOQTSQ-YPMHNXCESA-N 0 3 388.403 0.969 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573443049 948303799 /nfs/dbraw/zinc/30/37/99/948303799.db2.gz LRWWHSWGZHKSHF-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573443049 948303807 /nfs/dbraw/zinc/30/38/07/948303807.db2.gz LRWWHSWGZHKSHF-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573695922 948314599 /nfs/dbraw/zinc/31/45/99/948314599.db2.gz YTNCAGAKVIQBAI-SUMWQHHRSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573695922 948314611 /nfs/dbraw/zinc/31/46/11/948314611.db2.gz YTNCAGAKVIQBAI-SUMWQHHRSA-N 0 3 381.440 0.632 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573445080 948323341 /nfs/dbraw/zinc/32/33/41/948323341.db2.gz XZDJJXNNCUCZKQ-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573445080 948323350 /nfs/dbraw/zinc/32/33/50/948323350.db2.gz XZDJJXNNCUCZKQ-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573446717 948335671 /nfs/dbraw/zinc/33/56/71/948335671.db2.gz NZCXUZXZARYSTE-MRXNPFEDSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573446717 948335678 /nfs/dbraw/zinc/33/56/78/948335678.db2.gz NZCXUZXZARYSTE-MRXNPFEDSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573447083 948341433 /nfs/dbraw/zinc/34/14/33/948341433.db2.gz UMOJMJYNORAHMK-BDJLRTHQSA-N 0 3 389.435 0.611 20 0 GCADHN O=S1(=O)CCC[C@H]1C[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826497233 948410808 /nfs/dbraw/zinc/41/08/08/948410808.db2.gz ZBOSVAOXTYFBKH-KRWDZBQOSA-N 0 3 390.513 0.998 20 0 GCADHN C[C@@H](C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCCCC1 ZINC001573715208 948485681 /nfs/dbraw/zinc/48/56/81/948485681.db2.gz QZNYMFFTCOECBW-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573720003 948531393 /nfs/dbraw/zinc/53/13/93/948531393.db2.gz ZRXKEVYOJPXJMO-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573725624 948545178 /nfs/dbraw/zinc/54/51/78/948545178.db2.gz CMOGRUVAOFFXEG-KCQAQPDRSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573725624 948545182 /nfs/dbraw/zinc/54/51/82/948545182.db2.gz CMOGRUVAOFFXEG-KCQAQPDRSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573728269 948559943 /nfs/dbraw/zinc/55/99/43/948559943.db2.gz CMOGRUVAOFFXEG-YDHLFZDLSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573728269 948559949 /nfs/dbraw/zinc/55/99/49/948559949.db2.gz CMOGRUVAOFFXEG-YDHLFZDLSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573729656 948569508 /nfs/dbraw/zinc/56/95/08/948569508.db2.gz HYNZBKVFRURTTL-YRGRVCCFSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573729656 948569515 /nfs/dbraw/zinc/56/95/15/948569515.db2.gz HYNZBKVFRURTTL-YRGRVCCFSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573730223 948579520 /nfs/dbraw/zinc/57/95/20/948579520.db2.gz ZYNSAMOPQPUEKG-XPKDYRNWSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573730223 948579526 /nfs/dbraw/zinc/57/95/26/948579526.db2.gz ZYNSAMOPQPUEKG-XPKDYRNWSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001573732754 948608389 /nfs/dbraw/zinc/60/83/89/948608389.db2.gz WYUWGQYGSOWKMJ-VHSXEESVSA-N 0 3 384.437 0.033 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573732781 948609198 /nfs/dbraw/zinc/60/91/98/948609198.db2.gz XTRWEXCJECGROB-UWVGGRQHSA-N 0 3 384.437 0.033 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573752041 948711007 /nfs/dbraw/zinc/71/10/07/948711007.db2.gz KMSBAHNHNBCDLX-BPNCWPANSA-N 0 3 385.407 0.595 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573752041 948711014 /nfs/dbraw/zinc/71/10/14/948711014.db2.gz KMSBAHNHNBCDLX-BPNCWPANSA-N 0 3 385.407 0.595 20 0 GCADHN C[C@H](C(N)=O)[N@@H+]1CC[C@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573754562 948743204 /nfs/dbraw/zinc/74/32/04/948743204.db2.gz HVNPMKMBAKSCTR-YPMHNXCESA-N 0 3 386.460 0.243 20 0 GCADHN C[C@H](C(N)=O)[N@H+]1CC[C@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573754562 948743211 /nfs/dbraw/zinc/74/32/11/948743211.db2.gz HVNPMKMBAKSCTR-YPMHNXCESA-N 0 3 386.460 0.243 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001575223246 948760344 /nfs/dbraw/zinc/76/03/44/948760344.db2.gz MBGAWBQKWSLXAT-CYBMUJFWSA-N 0 3 380.399 0.869 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001575223246 948760351 /nfs/dbraw/zinc/76/03/51/948760351.db2.gz MBGAWBQKWSLXAT-CYBMUJFWSA-N 0 3 380.399 0.869 20 0 GCADHN CC(C)(C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCCC1 ZINC001573761271 948838324 /nfs/dbraw/zinc/83/83/24/948838324.db2.gz FPHQBRYNURAFRB-UHFFFAOYSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574918387 948847386 /nfs/dbraw/zinc/84/73/86/948847386.db2.gz KFHIZWTYTJQOCY-LBPRGKRZSA-N 0 3 387.423 0.672 20 0 GCADHN C[C@@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574918387 948847409 /nfs/dbraw/zinc/84/74/09/948847409.db2.gz KFHIZWTYTJQOCY-LBPRGKRZSA-N 0 3 387.423 0.672 20 0 GCADHN CC(C)(C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573765230 948901969 /nfs/dbraw/zinc/90/19/69/948901969.db2.gz XCFHSNWARQBRPD-CYBMUJFWSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574920491 948904677 /nfs/dbraw/zinc/90/46/77/948904677.db2.gz MLQCKGYDNDLLBX-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574920491 948904689 /nfs/dbraw/zinc/90/46/89/948904689.db2.gz MLQCKGYDNDLLBX-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)c1nccn1CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574432273 948930839 /nfs/dbraw/zinc/93/08/39/948930839.db2.gz ICPUXLNNIOXWCP-CYBMUJFWSA-N 0 3 381.444 0.717 20 0 GCADHN CC(C)(C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)[NH+]1CCCC1 ZINC001573771688 948945348 /nfs/dbraw/zinc/94/53/48/948945348.db2.gz KXZJARHONZBGIQ-CQSZACIVSA-N 0 3 385.476 0.838 20 0 GCADHN CC(C)c1nccn1CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001574433275 948950059 /nfs/dbraw/zinc/95/00/59/948950059.db2.gz RUZHLKQHWMSLCT-UHFFFAOYSA-N 0 3 381.444 0.764 20 0 GCADHN CC(C)(C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001573772436 948962506 /nfs/dbraw/zinc/96/25/06/948962506.db2.gz BXZVWXSKMZHKTM-LBPRGKRZSA-N 0 3 391.451 0.769 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574925491 948973221 /nfs/dbraw/zinc/97/32/21/948973221.db2.gz AMXYBQHLHQTLJM-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574925491 948973232 /nfs/dbraw/zinc/97/32/32/948973232.db2.gz AMXYBQHLHQTLJM-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574925491 948973240 /nfs/dbraw/zinc/97/32/40/948973240.db2.gz AMXYBQHLHQTLJM-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574925491 948973248 /nfs/dbraw/zinc/97/32/48/948973248.db2.gz AMXYBQHLHQTLJM-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(C)(C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2)CC1)S(C)(=O)=O ZINC001573773495 948985548 /nfs/dbraw/zinc/98/55/48/948985548.db2.gz CJPKMKVKVGNHQK-UHFFFAOYSA-N 0 3 392.485 0.428 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574926227 948992323 /nfs/dbraw/zinc/99/23/23/948992323.db2.gz LHTAWTRYMQCWLV-NSHDSACASA-N 0 3 390.423 0.015 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574926227 948992338 /nfs/dbraw/zinc/99/23/38/948992338.db2.gz LHTAWTRYMQCWLV-NSHDSACASA-N 0 3 390.423 0.015 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574927806 949049392 /nfs/dbraw/zinc/04/93/92/949049392.db2.gz LKEFMRUQNKGLCK-SNVBAGLBSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574927806 949049413 /nfs/dbraw/zinc/04/94/13/949049413.db2.gz LKEFMRUQNKGLCK-SNVBAGLBSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574693738 949061213 /nfs/dbraw/zinc/06/12/13/949061213.db2.gz IIFPKWYSEXKXCW-LBPRGKRZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)N1CCCC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574928964 949068287 /nfs/dbraw/zinc/06/82/87/949068287.db2.gz UMRKVWQRRIVYNP-ZDUSSCGKSA-N 0 3 386.460 0.266 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)N1CCCC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574928964 949068306 /nfs/dbraw/zinc/06/83/06/949068306.db2.gz UMRKVWQRRIVYNP-ZDUSSCGKSA-N 0 3 386.460 0.266 20 0 GCADHN CC(C)c1nocc1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574441897 949080958 /nfs/dbraw/zinc/08/09/58/949080958.db2.gz FBBUUGYAUJDIBJ-AWEZNQCLSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1nocc1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574441897 949080979 /nfs/dbraw/zinc/08/09/79/949080979.db2.gz FBBUUGYAUJDIBJ-AWEZNQCLSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)(C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCC1 ZINC001573780368 949088676 /nfs/dbraw/zinc/08/86/76/949088676.db2.gz XGDTYZFKUBXBDE-ZDUSSCGKSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574931409 949117407 /nfs/dbraw/zinc/11/74/07/949117407.db2.gz OXVGEOHPBNKELD-WCQYABFASA-N 0 3 378.408 0.406 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574931409 949117413 /nfs/dbraw/zinc/11/74/13/949117413.db2.gz OXVGEOHPBNKELD-WCQYABFASA-N 0 3 378.408 0.406 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574931412 949118367 /nfs/dbraw/zinc/11/83/67/949118367.db2.gz OXVGEOHPBNKELD-YPMHNXCESA-N 0 3 378.408 0.406 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574931412 949118374 /nfs/dbraw/zinc/11/83/74/949118374.db2.gz OXVGEOHPBNKELD-YPMHNXCESA-N 0 3 378.408 0.406 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574932000 949124801 /nfs/dbraw/zinc/12/48/01/949124801.db2.gz SSWXZNJAMTVJNT-JSGCOSHPSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574932000 949124815 /nfs/dbraw/zinc/12/48/15/949124815.db2.gz SSWXZNJAMTVJNT-JSGCOSHPSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574697531 949156845 /nfs/dbraw/zinc/15/68/45/949156845.db2.gz AVNSBKFFPGHLFJ-NEPJUHHUSA-N 0 3 380.474 0.236 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)n1cncn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574698195 949177916 /nfs/dbraw/zinc/17/79/16/949177916.db2.gz HDKGWZWPXKGGAM-NEPJUHHUSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574698163 949179247 /nfs/dbraw/zinc/17/92/47/949179247.db2.gz GTBWCAMDXJEALU-RYUDHWBXSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574698163 949179254 /nfs/dbraw/zinc/17/92/54/949179254.db2.gz GTBWCAMDXJEALU-RYUDHWBXSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574698367 949186685 /nfs/dbraw/zinc/18/66/85/949186685.db2.gz JUMZVDJGVSTSBF-NEPJUHHUSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574698367 949186697 /nfs/dbraw/zinc/18/66/97/949186697.db2.gz JUMZVDJGVSTSBF-NEPJUHHUSA-N 0 3 387.423 0.795 20 0 GCADHN CC(C)(C(N)=O)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573787784 949188498 /nfs/dbraw/zinc/18/84/98/949188498.db2.gz APXUEBYDPGCGJM-HAQNSBGRSA-N 0 3 389.435 0.502 20 0 GCADHN CC(C)(C(N)=O)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573787784 949188511 /nfs/dbraw/zinc/18/85/11/949188511.db2.gz APXUEBYDPGCGJM-HAQNSBGRSA-N 0 3 389.435 0.502 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCCC[N@H+](Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573788150 949191067 /nfs/dbraw/zinc/19/10/67/949191067.db2.gz HCFBXBGDMWOQNB-UHFFFAOYSA-N 0 3 385.472 0.849 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCCC[N@@H+](Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573788150 949191083 /nfs/dbraw/zinc/19/10/83/949191083.db2.gz HCFBXBGDMWOQNB-UHFFFAOYSA-N 0 3 385.472 0.849 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCCC[N@H+](Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573788150 949191095 /nfs/dbraw/zinc/19/10/95/949191095.db2.gz HCFBXBGDMWOQNB-UHFFFAOYSA-N 0 3 385.472 0.849 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCCC[N@@H+](Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573788150 949191109 /nfs/dbraw/zinc/19/11/09/949191109.db2.gz HCFBXBGDMWOQNB-UHFFFAOYSA-N 0 3 385.472 0.849 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573787908 949192443 /nfs/dbraw/zinc/19/24/43/949192443.db2.gz DQTFNWPRHYMSGU-PHIMTYICSA-N 0 3 375.408 0.254 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573787908 949192452 /nfs/dbraw/zinc/19/24/52/949192452.db2.gz DQTFNWPRHYMSGU-PHIMTYICSA-N 0 3 375.408 0.254 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573788754 949208612 /nfs/dbraw/zinc/20/86/12/949208612.db2.gz WFWYSWOCXOWCOY-GFCCVEGCSA-N 0 3 375.408 0.208 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573788754 949208623 /nfs/dbraw/zinc/20/86/23/949208623.db2.gz WFWYSWOCXOWCOY-GFCCVEGCSA-N 0 3 375.408 0.208 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001574451996 949252623 /nfs/dbraw/zinc/25/26/23/949252623.db2.gz DKDKQWNFTCUYIC-GFCCVEGCSA-N 0 3 390.473 0.586 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574702416 949282852 /nfs/dbraw/zinc/28/28/52/949282852.db2.gz IVCHQFDYQVISHK-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574702416 949282873 /nfs/dbraw/zinc/28/28/73/949282873.db2.gz IVCHQFDYQVISHK-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574703134 949306589 /nfs/dbraw/zinc/30/65/89/949306589.db2.gz RJUBUWZQSGQDOG-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574703132 949308496 /nfs/dbraw/zinc/30/84/96/949308496.db2.gz RJUBUWZQSGQDOG-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574703243 949319040 /nfs/dbraw/zinc/31/90/40/949319040.db2.gz AKUNGQUQEQCYHS-AAEUAGOBSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574703243 949319056 /nfs/dbraw/zinc/31/90/56/949319056.db2.gz AKUNGQUQEQCYHS-AAEUAGOBSA-N 0 3 389.435 0.421 20 0 GCADHN CC(C)n1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001574457398 949325680 /nfs/dbraw/zinc/32/56/80/949325680.db2.gz KGZDDVMTHGTIFL-LLVKDONJSA-N 0 3 390.473 0.586 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573798392 949347023 /nfs/dbraw/zinc/34/70/23/949347023.db2.gz BAYJDMGAPKBDAA-AWEZNQCLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573798392 949347044 /nfs/dbraw/zinc/34/70/44/949347044.db2.gz BAYJDMGAPKBDAA-AWEZNQCLSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704006 949359839 /nfs/dbraw/zinc/35/98/39/949359839.db2.gz JEIJJYIKGNKOSV-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263783 949406100 /nfs/dbraw/zinc/40/61/00/949406100.db2.gz JMBPOAWBHXQXSR-OCCSQVGLSA-N 0 3 387.463 0.894 20 0 GCADHN C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263783 949406118 /nfs/dbraw/zinc/40/61/18/949406118.db2.gz JMBPOAWBHXQXSR-OCCSQVGLSA-N 0 3 387.463 0.894 20 0 GCADHN C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575264406 949424236 /nfs/dbraw/zinc/42/42/36/949424236.db2.gz NZSNDFHVAPHDPP-NSHDSACASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575264406 949424249 /nfs/dbraw/zinc/42/42/49/949424249.db2.gz NZSNDFHVAPHDPP-NSHDSACASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1CCCC[C@@]1(CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C(N)=O ZINC001576156007 949427667 /nfs/dbraw/zinc/42/76/67/949427667.db2.gz LCGXNSWSFMBCPW-ZMZPIMSZSA-N 0 3 389.435 0.646 20 0 GCADHN C[C@@H]1CCCC[C@]1(CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C(N)=O ZINC001576156001 949428485 /nfs/dbraw/zinc/42/84/85/949428485.db2.gz LCGXNSWSFMBCPW-ADLMAVQZSA-N 0 3 389.435 0.646 20 0 GCADHN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCC(=O)NC1 ZINC001575535733 949453867 /nfs/dbraw/zinc/45/38/67/949453867.db2.gz AETUXBRQIOTFGB-KXBFYZLASA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H](CNC(=O)Cn1ccccc1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574948255 949457689 /nfs/dbraw/zinc/45/76/89/949457689.db2.gz HBTLGZLIDXVVQC-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@H](CNC(=O)Cn1ccccc1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574948255 949457694 /nfs/dbraw/zinc/45/76/94/949457694.db2.gz HBTLGZLIDXVVQC-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@H](CNC(=O)Cn1ccccc1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574948255 949457705 /nfs/dbraw/zinc/45/77/05/949457705.db2.gz HBTLGZLIDXVVQC-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@H](CNC(=O)Cn1ccccc1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574948255 949457712 /nfs/dbraw/zinc/45/77/12/949457712.db2.gz HBTLGZLIDXVVQC-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@H](CNC(=O)Cn1ccccc1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574948847 949470643 /nfs/dbraw/zinc/47/06/43/949470643.db2.gz NRNBZDDRRBQMJU-GFCCVEGCSA-N 0 3 385.403 0.462 20 0 GCADHN C[C@H](CNC(=O)Cn1ccccc1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574948847 949470656 /nfs/dbraw/zinc/47/06/56/949470656.db2.gz NRNBZDDRRBQMJU-GFCCVEGCSA-N 0 3 385.403 0.462 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573804615 949471107 /nfs/dbraw/zinc/47/11/07/949471107.db2.gz YCJMTRSGWMUFAO-SHTZXODSSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573804615 949471119 /nfs/dbraw/zinc/47/11/19/949471119.db2.gz YCJMTRSGWMUFAO-SHTZXODSSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574948694 949471077 /nfs/dbraw/zinc/47/10/77/949471077.db2.gz LXQKFVUOAPLLKQ-LBPRGKRZSA-N 0 3 381.444 0.630 20 0 GCADHN C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574948694 949471091 /nfs/dbraw/zinc/47/10/91/949471091.db2.gz LXQKFVUOAPLLKQ-LBPRGKRZSA-N 0 3 381.444 0.630 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574708249 949487128 /nfs/dbraw/zinc/48/71/28/949487128.db2.gz UTLBVXSYNXKPOC-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574708249 949487140 /nfs/dbraw/zinc/48/71/40/949487140.db2.gz UTLBVXSYNXKPOC-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN CC(C)n1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574470426 949496870 /nfs/dbraw/zinc/49/68/70/949496870.db2.gz QDTOTDOTKWVWHY-HNNXBMFYSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574470426 949496887 /nfs/dbraw/zinc/49/68/87/949496887.db2.gz QDTOTDOTKWVWHY-HNNXBMFYSA-N 0 3 384.444 0.525 20 0 GCADHN C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574470473 949504528 /nfs/dbraw/zinc/50/45/28/949504528.db2.gz BWHWRWZBRQZQBQ-LMWSTFAQSA-N 0 3 386.460 0.393 20 0 GCADHN C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574470473 949504544 /nfs/dbraw/zinc/50/45/44/949504544.db2.gz BWHWRWZBRQZQBQ-LMWSTFAQSA-N 0 3 386.460 0.393 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574949995 949523536 /nfs/dbraw/zinc/52/35/36/949523536.db2.gz JESZSQZICYEWJI-CJNGLKHVSA-N 0 3 385.472 0.860 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574949995 949523555 /nfs/dbraw/zinc/52/35/55/949523555.db2.gz JESZSQZICYEWJI-CJNGLKHVSA-N 0 3 385.472 0.860 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575268737 949527207 /nfs/dbraw/zinc/52/72/07/949527207.db2.gz ONICSDFJCCMMOC-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575268737 949527221 /nfs/dbraw/zinc/52/72/21/949527221.db2.gz ONICSDFJCCMMOC-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575268737 949527235 /nfs/dbraw/zinc/52/72/35/949527235.db2.gz ONICSDFJCCMMOC-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575268737 949527247 /nfs/dbraw/zinc/52/72/47/949527247.db2.gz ONICSDFJCCMMOC-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711219 949529871 /nfs/dbraw/zinc/52/98/71/949529871.db2.gz FGVZMSZMSPFAKH-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711219 949529900 /nfs/dbraw/zinc/52/99/00/949529900.db2.gz FGVZMSZMSPFAKH-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1COCCO1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711338 949532584 /nfs/dbraw/zinc/53/25/84/949532584.db2.gz GJEUFAXMRGSLJZ-XHDPSFHLSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1COCCO1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711338 949532596 /nfs/dbraw/zinc/53/25/96/949532596.db2.gz GJEUFAXMRGSLJZ-XHDPSFHLSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574711418 949537560 /nfs/dbraw/zinc/53/75/60/949537560.db2.gz GZDPOJAHVYPUGC-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574711418 949537577 /nfs/dbraw/zinc/53/75/77/949537577.db2.gz GZDPOJAHVYPUGC-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CC(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574471435 949538510 /nfs/dbraw/zinc/53/85/10/949538510.db2.gz MTXUUOJYSHPZAL-IYXRBSQSSA-N 0 3 381.444 0.933 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574711506 949541256 /nfs/dbraw/zinc/54/12/56/949541256.db2.gz IBRAWFLWKNMQKZ-TVQRCGJNSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575872554 949546598 /nfs/dbraw/zinc/54/65/98/949546598.db2.gz JQIVPRFWGQMRCS-HIFRSBDPSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575872554 949546609 /nfs/dbraw/zinc/54/66/09/949546609.db2.gz JQIVPRFWGQMRCS-HIFRSBDPSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@H]1CCCC[C@H]1NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576164229 949548698 /nfs/dbraw/zinc/54/86/98/949548698.db2.gz FKCPFZHIFBIPCT-GXTWGEPZSA-N 0 3 388.476 0.599 20 0 GCADHN C[C@H]1CCCC[C@H]1NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576164229 949548712 /nfs/dbraw/zinc/54/87/12/949548712.db2.gz FKCPFZHIFBIPCT-GXTWGEPZSA-N 0 3 388.476 0.599 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711701 949552633 /nfs/dbraw/zinc/55/26/33/949552633.db2.gz KQRLMSZYRQLPDR-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574472476 949554223 /nfs/dbraw/zinc/55/42/23/949554223.db2.gz VIYCQQOEWGVDJZ-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711873 949560970 /nfs/dbraw/zinc/56/09/70/949560970.db2.gz NJQDOQBJJSHGPH-BLLLJJGKSA-N 0 3 391.451 0.273 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574711999 949571171 /nfs/dbraw/zinc/57/11/71/949571171.db2.gz PKLUQOULEBTUGY-WCQYABFASA-N 0 3 379.490 0.195 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)Cn1ncnn1 ZINC001573810572 949571371 /nfs/dbraw/zinc/57/13/71/949571371.db2.gz ACPUOTUYVWMUHQ-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)Cn1ncnn1 ZINC001573810572 949571385 /nfs/dbraw/zinc/57/13/85/949571385.db2.gz ACPUOTUYVWMUHQ-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575270054 949572656 /nfs/dbraw/zinc/57/26/56/949572656.db2.gz AMMBSPSIYXICSE-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575270054 949572663 /nfs/dbraw/zinc/57/26/63/949572663.db2.gz AMMBSPSIYXICSE-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1COCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574712368 949573293 /nfs/dbraw/zinc/57/32/93/949573293.db2.gz RLGKGWLPIDMWIY-ABAIWWIYSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H]1CCCCN1C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576165921 949573842 /nfs/dbraw/zinc/57/38/42/949573842.db2.gz KKQYIQOQKMEFIE-FPMFFAJLSA-N 0 3 386.460 0.446 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1COC(=O)N1 ZINC001573811134 949591632 /nfs/dbraw/zinc/59/16/32/949591632.db2.gz HXNKVJMNLNECEB-ZIAGYGMSSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1COC(=O)N1 ZINC001573811134 949591653 /nfs/dbraw/zinc/59/16/53/949591653.db2.gz HXNKVJMNLNECEB-ZIAGYGMSSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1COC(=O)N1 ZINC001573811131 949591869 /nfs/dbraw/zinc/59/18/69/949591869.db2.gz HXNKVJMNLNECEB-KGLIPLIRSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1COC(=O)N1 ZINC001573811131 949591890 /nfs/dbraw/zinc/59/18/90/949591890.db2.gz HXNKVJMNLNECEB-KGLIPLIRSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574125862 949594909 /nfs/dbraw/zinc/59/49/09/949594909.db2.gz USYNNCBZIDEZMV-CJNGLKHVSA-N 0 3 387.488 0.951 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575270533 949594942 /nfs/dbraw/zinc/59/49/42/949594942.db2.gz DOOUAQFWKCYRKU-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270533 949594956 /nfs/dbraw/zinc/59/49/56/949594956.db2.gz DOOUAQFWKCYRKU-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575874088 949599909 /nfs/dbraw/zinc/59/99/09/949599909.db2.gz QYSMYUONFMHVIB-YPMHNXCESA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874088 949599925 /nfs/dbraw/zinc/59/99/25/949599925.db2.gz QYSMYUONFMHVIB-YPMHNXCESA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574957173 949600498 /nfs/dbraw/zinc/60/04/98/949600498.db2.gz RUTWKXSCEBAXIR-YGRLFVJLSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575271429 949619974 /nfs/dbraw/zinc/61/99/74/949619974.db2.gz KHBJXXORISWSLT-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575271429 949619980 /nfs/dbraw/zinc/61/99/80/949619980.db2.gz KHBJXXORISWSLT-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)Cn1cncn1 ZINC001573813189 949627346 /nfs/dbraw/zinc/62/73/46/949627346.db2.gz WNJAQTYFDSNEDZ-HNNXBMFYSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)Cn1cncn1 ZINC001573813189 949627366 /nfs/dbraw/zinc/62/73/66/949627366.db2.gz WNJAQTYFDSNEDZ-HNNXBMFYSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574714567 949631673 /nfs/dbraw/zinc/63/16/73/949631673.db2.gz FMARAINJQOTLQG-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574714567 949631689 /nfs/dbraw/zinc/63/16/89/949631689.db2.gz FMARAINJQOTLQG-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575875852 949635854 /nfs/dbraw/zinc/63/58/54/949635854.db2.gz WIIZXSKYHKBLKI-QWHCGFSZSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574714836 949636605 /nfs/dbraw/zinc/63/66/05/949636605.db2.gz GSKHFSJDUFYWEC-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574714836 949636625 /nfs/dbraw/zinc/63/66/25/949636625.db2.gz GSKHFSJDUFYWEC-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715494 949657586 /nfs/dbraw/zinc/65/75/86/949657586.db2.gz DFEAJIMKJNUYGC-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715494 949657608 /nfs/dbraw/zinc/65/76/08/949657608.db2.gz DFEAJIMKJNUYGC-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575273022 949658394 /nfs/dbraw/zinc/65/83/94/949658394.db2.gz UQVDLVZGFMBKAU-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575273022 949658407 /nfs/dbraw/zinc/65/84/07/949658407.db2.gz UQVDLVZGFMBKAU-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575877703 949666642 /nfs/dbraw/zinc/66/66/42/949666642.db2.gz MNEFWNJGAOMISN-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575877703 949666654 /nfs/dbraw/zinc/66/66/54/949666654.db2.gz MNEFWNJGAOMISN-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574715786 949670130 /nfs/dbraw/zinc/67/01/30/949670130.db2.gz KFUSHAIJEXUCCE-AAEUAGOBSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575877708 949671976 /nfs/dbraw/zinc/67/19/76/949671976.db2.gz MNEFWNJGAOMISN-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575877708 949671987 /nfs/dbraw/zinc/67/19/87/949671987.db2.gz MNEFWNJGAOMISN-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCOC1 ZINC001575548409 949672791 /nfs/dbraw/zinc/67/27/91/949672791.db2.gz ZTMXZWAXLYUELD-VQIMIIECSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574716010 949673701 /nfs/dbraw/zinc/67/37/01/949673701.db2.gz GZTNLAPMLAUCPI-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574716010 949673711 /nfs/dbraw/zinc/67/37/11/949673711.db2.gz GZTNLAPMLAUCPI-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001576169344 949675157 /nfs/dbraw/zinc/67/51/57/949675157.db2.gz GUCLWPSFZXBMCA-CHWSQXEVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716281 949683895 /nfs/dbraw/zinc/68/38/95/949683895.db2.gz IHEHVBOUKGAUIA-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716281 949683909 /nfs/dbraw/zinc/68/39/09/949683909.db2.gz IHEHVBOUKGAUIA-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716281 949683922 /nfs/dbraw/zinc/68/39/22/949683922.db2.gz IHEHVBOUKGAUIA-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716281 949683934 /nfs/dbraw/zinc/68/39/34/949683934.db2.gz IHEHVBOUKGAUIA-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576170507 949720827 /nfs/dbraw/zinc/72/08/27/949720827.db2.gz LOWREBNJJFRBED-IUODEOHRSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576170507 949720850 /nfs/dbraw/zinc/72/08/50/949720850.db2.gz LOWREBNJJFRBED-IUODEOHRSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574717412 949736281 /nfs/dbraw/zinc/73/62/81/949736281.db2.gz PQKIXOXKYMAKHZ-AAEUAGOBSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574717412 949736294 /nfs/dbraw/zinc/73/62/94/949736294.db2.gz PQKIXOXKYMAKHZ-AAEUAGOBSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576171221 949757711 /nfs/dbraw/zinc/75/77/11/949757711.db2.gz PMWXKEGCWLJZBE-ABAIWWIYSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481121 949766937 /nfs/dbraw/zinc/76/69/37/949766937.db2.gz MPSGGMNIBAMGHS-GXFFZTMASA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481121 949766956 /nfs/dbraw/zinc/76/69/56/949766956.db2.gz MPSGGMNIBAMGHS-GXFFZTMASA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574718499 949786246 /nfs/dbraw/zinc/78/62/46/949786246.db2.gz YHFSAYMOVCYCLV-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574964875 949793088 /nfs/dbraw/zinc/79/30/88/949793088.db2.gz BCNYRUWRBGAZJC-BTDLBPIBSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574964875 949793108 /nfs/dbraw/zinc/79/31/08/949793108.db2.gz BCNYRUWRBGAZJC-BTDLBPIBSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576172268 949794867 /nfs/dbraw/zinc/79/48/67/949794867.db2.gz WALAHXNWICFZHO-SWLSCSKDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576172268 949794878 /nfs/dbraw/zinc/79/48/78/949794878.db2.gz WALAHXNWICFZHO-SWLSCSKDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281036 949797106 /nfs/dbraw/zinc/79/71/06/949797106.db2.gz BVIFHOBZIQHSRV-MJVIPROJSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575883056 949798120 /nfs/dbraw/zinc/79/81/20/949798120.db2.gz CFHVGRKQVVIUDU-SMDDNHRTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575883056 949798139 /nfs/dbraw/zinc/79/81/39/949798139.db2.gz CFHVGRKQVVIUDU-SMDDNHRTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574483994 949855379 /nfs/dbraw/zinc/85/53/79/949855379.db2.gz BMNYGOPONZOUPZ-WFASDCNBSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574483994 949855403 /nfs/dbraw/zinc/85/54/03/949855403.db2.gz BMNYGOPONZOUPZ-WFASDCNBSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CN(C)C(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574723715 949856048 /nfs/dbraw/zinc/85/60/48/949856048.db2.gz CACJSVHXYGKIRY-ZDUSSCGKSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CN(C)C(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574723715 949856070 /nfs/dbraw/zinc/85/60/70/949856070.db2.gz CACJSVHXYGKIRY-ZDUSSCGKSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574723958 949862974 /nfs/dbraw/zinc/86/29/74/949862974.db2.gz CODQVFZSNNBPSU-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574723958 949862986 /nfs/dbraw/zinc/86/29/86/949862986.db2.gz CODQVFZSNNBPSU-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCC1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574724078 949867296 /nfs/dbraw/zinc/86/72/96/949867296.db2.gz FHACPDAOZKFBBU-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574724319 949871564 /nfs/dbraw/zinc/87/15/64/949871564.db2.gz GXMAHYWWGIYJAZ-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574724319 949871589 /nfs/dbraw/zinc/87/15/89/949871589.db2.gz GXMAHYWWGIYJAZ-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574724652 949874876 /nfs/dbraw/zinc/87/48/76/949874876.db2.gz INRDSMZGNUXTKX-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574724652 949874893 /nfs/dbraw/zinc/87/48/93/949874893.db2.gz INRDSMZGNUXTKX-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283679 949881919 /nfs/dbraw/zinc/88/19/19/949881919.db2.gz QUPDLCCVLGLEHE-NEPJUHHUSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574724927 949882377 /nfs/dbraw/zinc/88/23/77/949882377.db2.gz MIFWPHQWPODIDG-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1ccnn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574725600 949902118 /nfs/dbraw/zinc/90/21/18/949902118.db2.gz SZBFRCYNCLXDPS-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1ccnn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574725600 949902139 /nfs/dbraw/zinc/90/21/39/949902139.db2.gz SZBFRCYNCLXDPS-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)C12CCC[NH+]1CCC2 ZINC001574968729 949907009 /nfs/dbraw/zinc/90/70/09/949907009.db2.gz RWDSZVUAOZWTTG-GFCCVEGCSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574725868 949912862 /nfs/dbraw/zinc/91/28/62/949912862.db2.gz CUXUAAGYOWSHBQ-HOCLYGCPSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574725868 949912879 /nfs/dbraw/zinc/91/28/79/949912879.db2.gz CUXUAAGYOWSHBQ-HOCLYGCPSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284701 949915398 /nfs/dbraw/zinc/91/53/98/949915398.db2.gz VRESKKWJKHMVKC-GWMXKSKGSA-N 0 3 386.460 0.302 20 0 GCADHN C[C@H](NC(=O)C[NH2+]CC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575284686 949915969 /nfs/dbraw/zinc/91/59/69/949915969.db2.gz VNUHYUKLYOYFBZ-IFQILLTASA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](NC(=O)C[NH2+]CC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284686 949915991 /nfs/dbraw/zinc/91/59/91/949915991.db2.gz VNUHYUKLYOYFBZ-IFQILLTASA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574726027 949926726 /nfs/dbraw/zinc/92/67/26/949926726.db2.gz FPHCAZZLNCHQRN-YOEHRIQHSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284933 949927508 /nfs/dbraw/zinc/92/75/08/949927508.db2.gz XEDUXXZQUWQEGJ-IFQILLTASA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284930 949928107 /nfs/dbraw/zinc/92/81/07/949928107.db2.gz XEDUXXZQUWQEGJ-GYSYKLTISA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574726927 949950637 /nfs/dbraw/zinc/95/06/37/949950637.db2.gz MQHXOOKLADYMKE-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574726927 949950665 /nfs/dbraw/zinc/95/06/65/949950665.db2.gz MQHXOOKLADYMKE-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574489318 949957066 /nfs/dbraw/zinc/95/70/66/949957066.db2.gz IISWZHOPRPBLAB-IHRRRGAJSA-N 0 3 379.428 0.899 20 0 GCADHN C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574489319 949957455 /nfs/dbraw/zinc/95/74/55/949957455.db2.gz IISWZHOPRPBLAB-RDBSUJKOSA-N 0 3 379.428 0.899 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574147985 949967451 /nfs/dbraw/zinc/96/74/51/949967451.db2.gz HZUXYFSLOMLXKY-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574147985 949967477 /nfs/dbraw/zinc/96/74/77/949967477.db2.gz HZUXYFSLOMLXKY-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574147985 949967497 /nfs/dbraw/zinc/96/74/97/949967497.db2.gz HZUXYFSLOMLXKY-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574147985 949967517 /nfs/dbraw/zinc/96/75/17/949967517.db2.gz HZUXYFSLOMLXKY-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576180663 949972566 /nfs/dbraw/zinc/97/25/66/949972566.db2.gz PZTLULIRDRDUIZ-ZDUSSCGKSA-N 0 3 388.476 0.600 20 0 GCADHN C[C@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576180663 949972583 /nfs/dbraw/zinc/97/25/83/949972583.db2.gz PZTLULIRDRDUIZ-ZDUSSCGKSA-N 0 3 388.476 0.600 20 0 GCADHN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574727757 949980449 /nfs/dbraw/zinc/98/04/49/949980449.db2.gz YYCWGAQTIIUZDR-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574727757 949980481 /nfs/dbraw/zinc/98/04/81/949980481.db2.gz YYCWGAQTIIUZDR-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574727782 949983315 /nfs/dbraw/zinc/98/33/15/949983315.db2.gz ZNIGNDNCQLIHRD-GXTWGEPZSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574727782 949983336 /nfs/dbraw/zinc/98/33/36/949983336.db2.gz ZNIGNDNCQLIHRD-GXTWGEPZSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1cncn1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574728485 949989837 /nfs/dbraw/zinc/98/98/37/949989837.db2.gz BJRAWTYSOAEHMJ-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1cncn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574728483 949990630 /nfs/dbraw/zinc/99/06/30/949990630.db2.gz BJLXYFJAGFVFOK-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1cncn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574728484 949992598 /nfs/dbraw/zinc/99/25/98/949992598.db2.gz BJLXYFJAGFVFOK-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574490461 949996631 /nfs/dbraw/zinc/99/66/31/949996631.db2.gz SFNZOYRCHDTOFN-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CC[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574490461 949996645 /nfs/dbraw/zinc/99/66/45/949996645.db2.gz SFNZOYRCHDTOFN-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001574974956 950010907 /nfs/dbraw/zinc/01/09/07/950010907.db2.gz TWNONFWLNHENCF-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001574974956 950010928 /nfs/dbraw/zinc/01/09/28/950010928.db2.gz TWNONFWLNHENCF-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN CC(C)C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574149713 950015202 /nfs/dbraw/zinc/01/52/02/950015202.db2.gz XIFKMJBGCNNOTE-ZDUSSCGKSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574149713 950015220 /nfs/dbraw/zinc/01/52/20/950015220.db2.gz XIFKMJBGCNNOTE-ZDUSSCGKSA-N 0 3 376.465 0.407 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575891728 950027539 /nfs/dbraw/zinc/02/75/39/950027539.db2.gz NEXLSFPBAXGOIF-VXGBXAGGSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575891728 950027562 /nfs/dbraw/zinc/02/75/62/950027562.db2.gz NEXLSFPBAXGOIF-VXGBXAGGSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1ccn(C)n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574730299 950029049 /nfs/dbraw/zinc/02/90/49/950029049.db2.gz QUIRPVOVMDDETG-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN CC1CCN(C(=O)C[NH2+]CCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001576182035 950031478 /nfs/dbraw/zinc/03/14/78/950031478.db2.gz KPZMOFLENIUBBD-UHFFFAOYSA-N 0 3 388.476 0.505 20 0 GCADHN C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183292 950083187 /nfs/dbraw/zinc/08/31/87/950083187.db2.gz PCMMGIBMECAWLL-KBPBESRZSA-N 0 3 385.476 0.649 20 0 GCADHN CC(C)C[C@@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151616 950090217 /nfs/dbraw/zinc/09/02/17/950090217.db2.gz WGERMVKNZCXRKN-RISCZKNCSA-N 0 3 388.476 0.596 20 0 GCADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCCOC1 ZINC001575577886 950090666 /nfs/dbraw/zinc/09/06/66/950090666.db2.gz XXQFQYPSWCFCBO-SCLBCKFNSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574733504 950115768 /nfs/dbraw/zinc/11/57/68/950115768.db2.gz CVYVSJHPKUIEQF-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)COc1ccccc1 ZINC001574977998 950130977 /nfs/dbraw/zinc/13/09/77/950130977.db2.gz PCOSDVHBVIRMPG-OCCSQVGLSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574734401 950133021 /nfs/dbraw/zinc/13/30/21/950133021.db2.gz LUBBRLUSQRYLKG-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574734401 950133034 /nfs/dbraw/zinc/13/30/34/950133034.db2.gz LUBBRLUSQRYLKG-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN CC(C)[C@H](CNC(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574493844 950142265 /nfs/dbraw/zinc/14/22/65/950142265.db2.gz IEDJQXAKNFZPES-WFASDCNBSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)[C@H](CNC(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574493844 950142275 /nfs/dbraw/zinc/14/22/75/950142275.db2.gz IEDJQXAKNFZPES-WFASDCNBSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574493880 950143055 /nfs/dbraw/zinc/14/30/55/950143055.db2.gz IKBPTTFVTKNZAA-IUODEOHRSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574493880 950143065 /nfs/dbraw/zinc/14/30/65/950143065.db2.gz IKBPTTFVTKNZAA-IUODEOHRSA-N 0 3 388.476 0.544 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574734882 950150770 /nfs/dbraw/zinc/15/07/70/950150770.db2.gz UGXBYDTWUIQNJK-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576191013 950178535 /nfs/dbraw/zinc/17/85/35/950178535.db2.gz FYHBWXONWOFSIW-GXTWGEPZSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576191013 950178546 /nfs/dbraw/zinc/17/85/46/950178546.db2.gz FYHBWXONWOFSIW-GXTWGEPZSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574739105 950183561 /nfs/dbraw/zinc/18/35/61/950183561.db2.gz LPRSKBOWJBADSO-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574739105 950183579 /nfs/dbraw/zinc/18/35/79/950183579.db2.gz LPRSKBOWJBADSO-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)n1ccnc1 ZINC001574494843 950189866 /nfs/dbraw/zinc/18/98/66/950189866.db2.gz PDJCRGLVDHKHLZ-MLGOLLRUSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1ccnc1 ZINC001574496517 950214782 /nfs/dbraw/zinc/21/47/82/950214782.db2.gz XDVDBDLATIIRFN-RYUDHWBXSA-N 0 3 390.473 0.343 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191857 950215917 /nfs/dbraw/zinc/21/59/17/950215917.db2.gz KOGYBTNCZPKCKQ-OCCSQVGLSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC001574983396 950218743 /nfs/dbraw/zinc/21/87/43/950218743.db2.gz OISMZXMQRGNCLQ-NWDGAFQWSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC001574983396 950218756 /nfs/dbraw/zinc/21/87/56/950218756.db2.gz OISMZXMQRGNCLQ-NWDGAFQWSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)nn1 ZINC001575901127 950219316 /nfs/dbraw/zinc/21/93/16/950219316.db2.gz LLHWEYAYQIDDLX-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)nn1 ZINC001575901127 950219339 /nfs/dbraw/zinc/21/93/39/950219339.db2.gz LLHWEYAYQIDDLX-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191957 950220749 /nfs/dbraw/zinc/22/07/49/950220749.db2.gz KUZUVSGALKWOMT-WFASDCNBSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191957 950220765 /nfs/dbraw/zinc/22/07/65/950220765.db2.gz KUZUVSGALKWOMT-WFASDCNBSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576192046 950224538 /nfs/dbraw/zinc/22/45/38/950224538.db2.gz JNJNKXHOEYNVHK-CYBMUJFWSA-N 0 3 388.476 0.457 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576192046 950224554 /nfs/dbraw/zinc/22/45/54/950224554.db2.gz JNJNKXHOEYNVHK-CYBMUJFWSA-N 0 3 388.476 0.457 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)C1=COCCO1 ZINC001575901309 950227895 /nfs/dbraw/zinc/22/78/95/950227895.db2.gz NHTLTTAGPAKTQC-XHDPSFHLSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)C1=COCCO1 ZINC001575901309 950227918 /nfs/dbraw/zinc/22/79/18/950227918.db2.gz NHTLTTAGPAKTQC-XHDPSFHLSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001576192319 950238880 /nfs/dbraw/zinc/23/88/80/950238880.db2.gz NIGFAXPVHYZPFQ-OLZOCXBDSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001576192319 950238907 /nfs/dbraw/zinc/23/89/07/950238907.db2.gz NIGFAXPVHYZPFQ-OLZOCXBDSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)Cn1ccnc1 ZINC001575901845 950242269 /nfs/dbraw/zinc/24/22/69/950242269.db2.gz QQQYPLUQNMJNTK-WBMJQRKESA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)Cn1ccnc1 ZINC001575901845 950242292 /nfs/dbraw/zinc/24/22/92/950242292.db2.gz QQQYPLUQNMJNTK-WBMJQRKESA-N 0 3 384.419 0.982 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573845751 950243011 /nfs/dbraw/zinc/24/30/11/950243011.db2.gz KOYXDDOQCHNNPH-AULYBMBSSA-N 0 3 388.476 0.455 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+][C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573846216 950244640 /nfs/dbraw/zinc/24/46/40/950244640.db2.gz PBPILNBOLNOXGS-AWEZNQCLSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@H]1[C@H]([NH2+]CC(=O)NCC(C)(C)C)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575902307 950254103 /nfs/dbraw/zinc/25/41/03/950254103.db2.gz UOFLPIPGWULGJJ-WCQYABFASA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575902467 950257971 /nfs/dbraw/zinc/25/79/71/950257971.db2.gz VMALLISYQRFORL-PWSUYJOCSA-N 0 3 389.851 0.938 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575902467 950257994 /nfs/dbraw/zinc/25/79/94/950257994.db2.gz VMALLISYQRFORL-PWSUYJOCSA-N 0 3 389.851 0.938 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC001574498077 950260320 /nfs/dbraw/zinc/26/03/20/950260320.db2.gz JPSJTOSXLNBTEF-PBHICJAKSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC001574498077 950260339 /nfs/dbraw/zinc/26/03/39/950260339.db2.gz JPSJTOSXLNBTEF-PBHICJAKSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cn(C)nc1C(F)F ZINC001574984142 950261934 /nfs/dbraw/zinc/26/19/34/950261934.db2.gz VWHXTBLHCBAKLW-QMMMGPOBSA-N 0 3 379.375 0.774 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]CC1(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573850382 950271940 /nfs/dbraw/zinc/27/19/40/950271940.db2.gz JEXFNPJOCRFGRY-UHFFFAOYSA-N 0 3 388.476 0.599 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]CC1(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573850382 950271957 /nfs/dbraw/zinc/27/19/57/950271957.db2.gz JEXFNPJOCRFGRY-UHFFFAOYSA-N 0 3 388.476 0.599 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001576192890 950272548 /nfs/dbraw/zinc/27/25/48/950272548.db2.gz REPVHMDYYIKECG-WCQYABFASA-N 0 3 384.448 0.211 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001576192890 950272567 /nfs/dbraw/zinc/27/25/67/950272567.db2.gz REPVHMDYYIKECG-WCQYABFASA-N 0 3 384.448 0.211 20 0 GCADHN C[C@@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)CCNC(N)=O ZINC001575902918 950275021 /nfs/dbraw/zinc/27/50/21/950275021.db2.gz YIQBNELBUDNSDX-QMTHXVAHSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575903269 950276614 /nfs/dbraw/zinc/27/66/14/950276614.db2.gz ZFFLYDSIOINMJG-MJQUHVBXSA-N 0 3 386.431 0.977 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575903269 950276632 /nfs/dbraw/zinc/27/66/32/950276632.db2.gz ZFFLYDSIOINMJG-MJQUHVBXSA-N 0 3 386.431 0.977 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573851353 950286483 /nfs/dbraw/zinc/28/64/83/950286483.db2.gz VOWKEJPRBSSVGK-GFCCVEGCSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574742586 950293812 /nfs/dbraw/zinc/29/38/12/950293812.db2.gz PMEILHJFJLRMLV-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574742586 950293831 /nfs/dbraw/zinc/29/38/31/950293831.db2.gz PMEILHJFJLRMLV-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CN1CCOCC1 ZINC001575906906 950321688 /nfs/dbraw/zinc/32/16/88/950321688.db2.gz KKKSSVFIFZDENJ-YOEHRIQHSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CN1CCOCC1 ZINC001575906906 950321714 /nfs/dbraw/zinc/32/17/14/950321714.db2.gz KKKSSVFIFZDENJ-YOEHRIQHSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[NH+]1CCCCC1 ZINC001574743365 950323937 /nfs/dbraw/zinc/32/39/37/950323937.db2.gz SCYVBCNXIKXACM-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[NH+]1CCCCC1 ZINC001574743365 950323952 /nfs/dbraw/zinc/32/39/52/950323952.db2.gz SCYVBCNXIKXACM-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576194268 950334453 /nfs/dbraw/zinc/33/44/53/950334453.db2.gz YMRWXBLDNFJZIA-CYBMUJFWSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576194268 950334473 /nfs/dbraw/zinc/33/44/73/950334473.db2.gz YMRWXBLDNFJZIA-CYBMUJFWSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cnn(C)n1 ZINC001575907983 950347005 /nfs/dbraw/zinc/34/70/05/950347005.db2.gz SEIVPSMXLDKIOJ-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@](C)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573855170 950356044 /nfs/dbraw/zinc/35/60/44/950356044.db2.gz KJKKOVHEAJUNGP-GOSISDBHSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196281 950362125 /nfs/dbraw/zinc/36/21/25/950362125.db2.gz CGAOPXTUJSGEFB-KBPBESRZSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576196733 950368891 /nfs/dbraw/zinc/36/88/91/950368891.db2.gz GPZLIJMAJKYKOX-CYBMUJFWSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576196733 950368910 /nfs/dbraw/zinc/36/89/10/950368910.db2.gz GPZLIJMAJKYKOX-CYBMUJFWSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)C(=O)NCC1CC1 ZINC001575908544 950369589 /nfs/dbraw/zinc/36/95/89/950369589.db2.gz UYGRYFQXHPLNIU-BLLLJJGKSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574502499 950384100 /nfs/dbraw/zinc/38/41/00/950384100.db2.gz OGSXQTRCEIQSHS-GXTWGEPZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574502499 950384119 /nfs/dbraw/zinc/38/41/19/950384119.db2.gz OGSXQTRCEIQSHS-GXTWGEPZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)c1ncn(C)n1 ZINC001575909246 950391704 /nfs/dbraw/zinc/39/17/04/950391704.db2.gz XYAVHOOGJJRIKZ-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)c1ncn(C)n1 ZINC001575909246 950391729 /nfs/dbraw/zinc/39/17/29/950391729.db2.gz XYAVHOOGJJRIKZ-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574746744 950398770 /nfs/dbraw/zinc/39/87/70/950398770.db2.gz OSJWAONMFCBESU-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001575909566 950399807 /nfs/dbraw/zinc/39/98/07/950399807.db2.gz ZFSBWFSANVLNAI-MWLCHTKSSA-N 0 3 388.457 0.760 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576198806 950412845 /nfs/dbraw/zinc/41/28/45/950412845.db2.gz VPIKDAHNFGUZDS-ZDUSSCGKSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576198806 950412858 /nfs/dbraw/zinc/41/28/58/950412858.db2.gz VPIKDAHNFGUZDS-ZDUSSCGKSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1N ZINC001575910438 950417299 /nfs/dbraw/zinc/41/72/99/950417299.db2.gz LALAURDVFPWJEH-XHDPSFHLSA-N 0 3 381.444 0.575 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1N ZINC001575910438 950417314 /nfs/dbraw/zinc/41/73/14/950417314.db2.gz LALAURDVFPWJEH-XHDPSFHLSA-N 0 3 381.444 0.575 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574750484 950426897 /nfs/dbraw/zinc/42/68/97/950426897.db2.gz AYXURLAVKLTEGY-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574750484 950426909 /nfs/dbraw/zinc/42/69/09/950426909.db2.gz AYXURLAVKLTEGY-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574750484 950426921 /nfs/dbraw/zinc/42/69/21/950426921.db2.gz AYXURLAVKLTEGY-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574750484 950426933 /nfs/dbraw/zinc/42/69/33/950426933.db2.gz AYXURLAVKLTEGY-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574506093 950428424 /nfs/dbraw/zinc/42/84/24/950428424.db2.gz BEMQHKAETYSOJV-WHOFXGATSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574506093 950428435 /nfs/dbraw/zinc/42/84/35/950428435.db2.gz BEMQHKAETYSOJV-WHOFXGATSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NCC[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(N)=O ZINC001574506706 950440759 /nfs/dbraw/zinc/44/07/59/950440759.db2.gz BWKOFLGIQSECPJ-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001576203640 950446375 /nfs/dbraw/zinc/44/63/75/950446375.db2.gz HJJGYZJFGANMFH-VNHYZAJKSA-N 0 3 383.460 0.036 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001576203640 950446389 /nfs/dbraw/zinc/44/63/89/950446389.db2.gz HJJGYZJFGANMFH-VNHYZAJKSA-N 0 3 383.460 0.036 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1nccnc1N ZINC001575911768 950452453 /nfs/dbraw/zinc/45/24/53/950452453.db2.gz PXYNVGGALNSEKX-RISCZKNCSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1nccnc1N ZINC001575911768 950452463 /nfs/dbraw/zinc/45/24/63/950452463.db2.gz PXYNVGGALNSEKX-RISCZKNCSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575912199 950460550 /nfs/dbraw/zinc/46/05/50/950460550.db2.gz QJPDFECVIKJZQQ-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575912199 950460563 /nfs/dbraw/zinc/46/05/63/950460563.db2.gz QJPDFECVIKJZQQ-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]3C2)C1 ZINC001576204371 950461521 /nfs/dbraw/zinc/46/15/21/950461521.db2.gz OYXULBUTYPZOCI-KFWWJZLASA-N 0 3 382.472 0.498 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]3C2)C1 ZINC001576204371 950461535 /nfs/dbraw/zinc/46/15/35/950461535.db2.gz OYXULBUTYPZOCI-KFWWJZLASA-N 0 3 382.472 0.498 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574508056 950469443 /nfs/dbraw/zinc/46/94/43/950469443.db2.gz LYBFWEPOKNNDDH-UXIGCNINSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574508056 950469452 /nfs/dbraw/zinc/46/94/52/950469452.db2.gz LYBFWEPOKNNDDH-UXIGCNINSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204736 950473978 /nfs/dbraw/zinc/47/39/78/950473978.db2.gz BHFHUZBTDCVVCL-ZIAGYGMSSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204736 950473996 /nfs/dbraw/zinc/47/39/96/950473996.db2.gz BHFHUZBTDCVVCL-ZIAGYGMSSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC001574994461 950480042 /nfs/dbraw/zinc/48/00/42/950480042.db2.gz RNEGZBQALQUUJY-PSLIRLAXSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC001574994461 950480051 /nfs/dbraw/zinc/48/00/51/950480051.db2.gz RNEGZBQALQUUJY-PSLIRLAXSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCS(C)(=O)=O ZINC001575913868 950486771 /nfs/dbraw/zinc/48/67/71/950486771.db2.gz UNBAPZXYPHOLQF-DOMZBBRYSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575913868 950486785 /nfs/dbraw/zinc/48/67/85/950486785.db2.gz UNBAPZXYPHOLQF-DOMZBBRYSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCNC(=O)C1 ZINC001575607598 950507760 /nfs/dbraw/zinc/50/77/60/950507760.db2.gz KREIZRXMCPXORJ-DOXZYTNZSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CCNC(=O)C1 ZINC001575607598 950507785 /nfs/dbraw/zinc/50/77/85/950507785.db2.gz KREIZRXMCPXORJ-DOXZYTNZSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575915934 950524802 /nfs/dbraw/zinc/52/48/02/950524802.db2.gz YEHNYHDWWWVUNQ-WBMJQRKESA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575915934 950524814 /nfs/dbraw/zinc/52/48/14/950524814.db2.gz YEHNYHDWWWVUNQ-WBMJQRKESA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574509671 950526107 /nfs/dbraw/zinc/52/61/07/950526107.db2.gz VGQUGOKRNOXFLU-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(N)=O ZINC001574509671 950526124 /nfs/dbraw/zinc/52/61/24/950526124.db2.gz VGQUGOKRNOXFLU-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574997377 950545375 /nfs/dbraw/zinc/54/53/75/950545375.db2.gz UHWQVKAMFAGUBK-SNVBAGLBSA-N 0 3 386.391 0.008 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574997377 950545394 /nfs/dbraw/zinc/54/53/94/950545394.db2.gz UHWQVKAMFAGUBK-SNVBAGLBSA-N 0 3 386.391 0.008 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)CC(F)(F)F ZINC001574753991 950555963 /nfs/dbraw/zinc/55/59/63/950555963.db2.gz JIJKVPDUFGATNX-RKDXNWHRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)CC(F)(F)F ZINC001574753991 950555980 /nfs/dbraw/zinc/55/59/80/950555980.db2.gz JIJKVPDUFGATNX-RKDXNWHRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576209022 950621578 /nfs/dbraw/zinc/62/15/78/950621578.db2.gz YKNHITJNWQSSKR-BFHYXJOUSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576209022 950621588 /nfs/dbraw/zinc/62/15/88/950621588.db2.gz YKNHITJNWQSSKR-BFHYXJOUSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574759060 950627407 /nfs/dbraw/zinc/62/74/07/950627407.db2.gz KENARRSFFUCSRF-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574759060 950627426 /nfs/dbraw/zinc/62/74/26/950627426.db2.gz KENARRSFFUCSRF-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574518276 950649887 /nfs/dbraw/zinc/64/98/87/950649887.db2.gz NFWXMYXDMMVMQE-WHOFXGATSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574518276 950649900 /nfs/dbraw/zinc/64/99/00/950649900.db2.gz NFWXMYXDMMVMQE-WHOFXGATSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574760272 950660466 /nfs/dbraw/zinc/66/04/66/950660466.db2.gz IFDFMJQPYRODSP-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574763764 950729501 /nfs/dbraw/zinc/72/95/01/950729501.db2.gz KCALDUBAJYOBFH-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574763764 950729512 /nfs/dbraw/zinc/72/95/12/950729512.db2.gz KCALDUBAJYOBFH-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C1CS(=O)(=O)C1 ZINC001574521047 950766292 /nfs/dbraw/zinc/76/62/92/950766292.db2.gz CPJJBHWYCKLDSH-VXGBXAGGSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C1CS(=O)(=O)C1 ZINC001574521047 950766304 /nfs/dbraw/zinc/76/63/04/950766304.db2.gz CPJJBHWYCKLDSH-VXGBXAGGSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CNC(=O)C1CC1 ZINC001574521024 950766933 /nfs/dbraw/zinc/76/69/33/950766933.db2.gz CMIOOOBWIBMCHI-CHWSQXEVSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CNC(=O)C1CC1 ZINC001574521024 950766944 /nfs/dbraw/zinc/76/69/44/950766944.db2.gz CMIOOOBWIBMCHI-CHWSQXEVSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574521025 950767803 /nfs/dbraw/zinc/76/78/03/950767803.db2.gz CMIOOOBWIBMCHI-OLZOCXBDSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574521025 950767817 /nfs/dbraw/zinc/76/78/17/950767817.db2.gz CMIOOOBWIBMCHI-OLZOCXBDSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CNC(=O)C1CC1 ZINC001574521027 950767840 /nfs/dbraw/zinc/76/78/40/950767840.db2.gz CMIOOOBWIBMCHI-STQMWFEESA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CNC(=O)C1CC1 ZINC001574521027 950767856 /nfs/dbraw/zinc/76/78/56/950767856.db2.gz CMIOOOBWIBMCHI-STQMWFEESA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001575009002 950770810 /nfs/dbraw/zinc/77/08/10/950770810.db2.gz LXTZBCOLHMXJEI-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001575009002 950770827 /nfs/dbraw/zinc/77/08/27/950770827.db2.gz LXTZBCOLHMXJEI-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC001575009155 950774487 /nfs/dbraw/zinc/77/44/87/950774487.db2.gz OMOABSQMQCQCKP-QWHCGFSZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC001575009154 950776587 /nfs/dbraw/zinc/77/65/87/950776587.db2.gz OMOABSQMQCQCKP-OLZOCXBDSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574765400 950786089 /nfs/dbraw/zinc/78/60/89/950786089.db2.gz HVOUARBKJLJWOC-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574765400 950786112 /nfs/dbraw/zinc/78/61/12/950786112.db2.gz HVOUARBKJLJWOC-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575009613 950791359 /nfs/dbraw/zinc/79/13/59/950791359.db2.gz VNXVJOVRSZTKMV-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575009613 950791369 /nfs/dbraw/zinc/79/13/69/950791369.db2.gz VNXVJOVRSZTKMV-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575009613 950791378 /nfs/dbraw/zinc/79/13/78/950791378.db2.gz VNXVJOVRSZTKMV-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575009613 950791390 /nfs/dbraw/zinc/79/13/90/950791390.db2.gz VNXVJOVRSZTKMV-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575009612 950792950 /nfs/dbraw/zinc/79/29/50/950792950.db2.gz VNXVJOVRSZTKMV-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575009612 950792965 /nfs/dbraw/zinc/79/29/65/950792965.db2.gz VNXVJOVRSZTKMV-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575009612 950792979 /nfs/dbraw/zinc/79/29/79/950792979.db2.gz VNXVJOVRSZTKMV-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575009612 950792993 /nfs/dbraw/zinc/79/29/93/950792993.db2.gz VNXVJOVRSZTKMV-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574523447 950811937 /nfs/dbraw/zinc/81/19/37/950811937.db2.gz NSCYISVFUHJUIJ-OLZOCXBDSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574523447 950811956 /nfs/dbraw/zinc/81/19/56/950811956.db2.gz NSCYISVFUHJUIJ-OLZOCXBDSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)Cn1cnnn1 ZINC001574523409 950814903 /nfs/dbraw/zinc/81/49/03/950814903.db2.gz MYGPNQBTTLOSKV-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C1CC[NH+](C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574523659 950824872 /nfs/dbraw/zinc/82/48/72/950824872.db2.gz OWZIECGXKRGSQG-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[N@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766840 950828162 /nfs/dbraw/zinc/82/81/62/950828162.db2.gz LGWZLIJMUNXWTB-RKDXNWHRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766840 950828182 /nfs/dbraw/zinc/82/81/82/950828182.db2.gz LGWZLIJMUNXWTB-RKDXNWHRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766838 950829300 /nfs/dbraw/zinc/82/93/00/950829300.db2.gz LGWZLIJMUNXWTB-IUCAKERBSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766838 950829319 /nfs/dbraw/zinc/82/93/19/950829319.db2.gz LGWZLIJMUNXWTB-IUCAKERBSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@@H](O)Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767212 950840828 /nfs/dbraw/zinc/84/08/28/950840828.db2.gz NBYVOBFKNYLSDP-ZFWWWQNUSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@@H](O)Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767212 950840854 /nfs/dbraw/zinc/84/08/54/950840854.db2.gz NBYVOBFKNYLSDP-ZFWWWQNUSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)Cn1ncnn1 ZINC001574524488 950861767 /nfs/dbraw/zinc/86/17/67/950861767.db2.gz XINJMIVSMWQEBZ-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)Cn1ncnn1 ZINC001574524488 950861791 /nfs/dbraw/zinc/86/17/91/950861791.db2.gz XINJMIVSMWQEBZ-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574524667 950866806 /nfs/dbraw/zinc/86/68/06/950866806.db2.gz YFPZCXWDVHYNAV-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574524667 950866825 /nfs/dbraw/zinc/86/68/25/950866825.db2.gz YFPZCXWDVHYNAV-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768010 950877841 /nfs/dbraw/zinc/87/78/41/950877841.db2.gz SMSQZJFTTHIWLP-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768010 950877858 /nfs/dbraw/zinc/87/78/58/950877858.db2.gz SMSQZJFTTHIWLP-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cnn(C)c1N ZINC001574527477 950891910 /nfs/dbraw/zinc/89/19/10/950891910.db2.gz CERWZDCOJVAJHW-NWDGAFQWSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cnn(C)c1N ZINC001574527477 950891921 /nfs/dbraw/zinc/89/19/21/950891921.db2.gz CERWZDCOJVAJHW-NWDGAFQWSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)c1cn(C)nn1 ZINC001574527811 950908241 /nfs/dbraw/zinc/90/82/41/950908241.db2.gz HJOVUBRRMJOOIY-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)c1cnn(C)n1 ZINC001574529985 950963299 /nfs/dbraw/zinc/96/32/99/950963299.db2.gz SBEJYZJGPJOBAN-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN CC1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001575938116 950971046 /nfs/dbraw/zinc/97/10/46/950971046.db2.gz JHOILOLSEZSLLZ-KOHJWAIASA-N 0 3 376.436 0.961 20 0 GCADHN CC1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001575938116 950971060 /nfs/dbraw/zinc/97/10/60/950971060.db2.gz JHOILOLSEZSLLZ-KOHJWAIASA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575017105 950978269 /nfs/dbraw/zinc/97/82/69/950978269.db2.gz ABAOVUABYGBUEE-SECBINFHSA-N 0 3 386.391 0.341 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575017105 950978286 /nfs/dbraw/zinc/97/82/86/950978286.db2.gz ABAOVUABYGBUEE-SECBINFHSA-N 0 3 386.391 0.341 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575017294 950985384 /nfs/dbraw/zinc/98/53/84/950985384.db2.gz CRQDYFPOEDWWBV-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575017294 950985396 /nfs/dbraw/zinc/98/53/96/950985396.db2.gz CRQDYFPOEDWWBV-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575017294 950985414 /nfs/dbraw/zinc/98/54/14/950985414.db2.gz CRQDYFPOEDWWBV-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575017294 950985427 /nfs/dbraw/zinc/98/54/27/950985427.db2.gz CRQDYFPOEDWWBV-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575017495 950999258 /nfs/dbraw/zinc/99/92/58/950999258.db2.gz GTLDJGKURUFCDF-LBPRGKRZSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001575017506 950999464 /nfs/dbraw/zinc/99/94/64/950999464.db2.gz KYNXDIWFLUFJBX-BXUZGUMPSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001575017506 950999485 /nfs/dbraw/zinc/99/94/85/950999485.db2.gz KYNXDIWFLUFJBX-BXUZGUMPSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574774454 951003790 /nfs/dbraw/zinc/00/37/90/951003790.db2.gz CSLVTEIJMOSCOK-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCC[NH+](C)C ZINC001574530888 951008357 /nfs/dbraw/zinc/00/83/57/951008357.db2.gz DJZCDSIJLAEUSB-RYUDHWBXSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCC[NH+](C)C ZINC001574530888 951008371 /nfs/dbraw/zinc/00/83/71/951008371.db2.gz DJZCDSIJLAEUSB-RYUDHWBXSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575018113 951014887 /nfs/dbraw/zinc/01/48/87/951014887.db2.gz KUBDXMFSMSGCEN-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575018113 951014901 /nfs/dbraw/zinc/01/49/01/951014901.db2.gz KUBDXMFSMSGCEN-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575018131 951015678 /nfs/dbraw/zinc/01/56/78/951015678.db2.gz LAGCTOMIMYVBEP-JTQLQIEISA-N 0 3 386.391 0.008 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575018608 951021294 /nfs/dbraw/zinc/02/12/94/951021294.db2.gz MSWXRESFMFRVPL-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575018608 951021307 /nfs/dbraw/zinc/02/13/07/951021307.db2.gz MSWXRESFMFRVPL-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575018607 951023150 /nfs/dbraw/zinc/02/31/50/951023150.db2.gz MSWXRESFMFRVPL-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575018607 951023165 /nfs/dbraw/zinc/02/31/65/951023165.db2.gz MSWXRESFMFRVPL-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575019087 951033771 /nfs/dbraw/zinc/03/37/71/951033771.db2.gz RJSDFFWNIQCBAR-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575019087 951033785 /nfs/dbraw/zinc/03/37/85/951033785.db2.gz RJSDFFWNIQCBAR-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575019808 951043034 /nfs/dbraw/zinc/04/30/34/951043034.db2.gz VTGLCJJDRYHOCQ-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575021581 951064656 /nfs/dbraw/zinc/06/46/56/951064656.db2.gz DGUQCZAQXFHBCQ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575021581 951064672 /nfs/dbraw/zinc/06/46/72/951064672.db2.gz DGUQCZAQXFHBCQ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575021581 951064687 /nfs/dbraw/zinc/06/46/87/951064687.db2.gz DGUQCZAQXFHBCQ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575021581 951064697 /nfs/dbraw/zinc/06/46/97/951064697.db2.gz DGUQCZAQXFHBCQ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575022708 951069718 /nfs/dbraw/zinc/06/97/18/951069718.db2.gz ILIYMBZBDIDGFH-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575027987 951165352 /nfs/dbraw/zinc/16/53/52/951165352.db2.gz SJAUUZVYKNYJRQ-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575027987 951165357 /nfs/dbraw/zinc/16/53/57/951165357.db2.gz SJAUUZVYKNYJRQ-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1ccnc2c1nnn2C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575035576 951279164 /nfs/dbraw/zinc/27/91/64/951279164.db2.gz YCNVLIGUWLADEP-LLVKDONJSA-N 0 3 392.427 0.452 20 0 GCADHN C[C@H](CNC(=O)c1ccnc2c1nnn2C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575035576 951279177 /nfs/dbraw/zinc/27/91/77/951279177.db2.gz YCNVLIGUWLADEP-LLVKDONJSA-N 0 3 392.427 0.452 20 0 GCADHN C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575036503 951295832 /nfs/dbraw/zinc/29/58/32/951295832.db2.gz TXGTVZGPWKBCKN-NSHDSACASA-N 0 3 392.423 0.664 20 0 GCADHN C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575036503 951295846 /nfs/dbraw/zinc/29/58/46/951295846.db2.gz TXGTVZGPWKBCKN-NSHDSACASA-N 0 3 392.423 0.664 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575058173 951535583 /nfs/dbraw/zinc/53/55/83/951535583.db2.gz UYSLJQXXAVFWLJ-SECBINFHSA-N 0 3 387.375 0.606 20 0 GCADHN C[C@](C[NH2+]CC(=O)N1CCCC1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575068891 951637988 /nfs/dbraw/zinc/63/79/88/951637988.db2.gz DOQOLRRRFPTHIG-GOSISDBHSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001575068885 951638561 /nfs/dbraw/zinc/63/85/61/951638561.db2.gz DMABJAVVIAUXEQ-QWHCGFSZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001575068885 951638567 /nfs/dbraw/zinc/63/85/67/951638567.db2.gz DMABJAVVIAUXEQ-QWHCGFSZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](C[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575070607 951652236 /nfs/dbraw/zinc/65/22/36/951652236.db2.gz SJTJBKWZWXGKAD-SMDDNHRTSA-N 0 3 386.460 0.398 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001575071272 951657326 /nfs/dbraw/zinc/65/73/26/951657326.db2.gz ZFJDXYVNIYZRKE-OLZOCXBDSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077147 951661953 /nfs/dbraw/zinc/66/19/53/951661953.db2.gz DBNHEPAYWGGFLD-NSHDSACASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077147 951661961 /nfs/dbraw/zinc/66/19/61/951661961.db2.gz DBNHEPAYWGGFLD-NSHDSACASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077146 951662183 /nfs/dbraw/zinc/66/21/83/951662183.db2.gz DBNHEPAYWGGFLD-LLVKDONJSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077146 951662188 /nfs/dbraw/zinc/66/21/88/951662188.db2.gz DBNHEPAYWGGFLD-LLVKDONJSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575077307 951665719 /nfs/dbraw/zinc/66/57/19/951665719.db2.gz FNVGUVIETUKABQ-CJNGLKHVSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575077307 951665726 /nfs/dbraw/zinc/66/57/26/951665726.db2.gz FNVGUVIETUKABQ-CJNGLKHVSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575077315 951665878 /nfs/dbraw/zinc/66/58/78/951665878.db2.gz FOVWTASUVXWBHW-CJNGLKHVSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575077315 951665887 /nfs/dbraw/zinc/66/58/87/951665887.db2.gz FOVWTASUVXWBHW-CJNGLKHVSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077273 951665949 /nfs/dbraw/zinc/66/59/49/951665949.db2.gz BRPXCORDOABOCE-SNVBAGLBSA-N 0 3 385.407 0.534 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077455 951669315 /nfs/dbraw/zinc/66/93/15/951669315.db2.gz DHRJMKKYRAGESL-NWDGAFQWSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077455 951669320 /nfs/dbraw/zinc/66/93/20/951669320.db2.gz DHRJMKKYRAGESL-NWDGAFQWSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](C(=O)N(C)[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F)n1cncn1 ZINC001575077433 951669336 /nfs/dbraw/zinc/66/93/36/951669336.db2.gz CPDYAJLMLZSQIP-NWDGAFQWSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077515 951671539 /nfs/dbraw/zinc/67/15/39/951671539.db2.gz FYXTVACXFZCTRT-SNVBAGLBSA-N 0 3 387.423 0.477 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077870 951676183 /nfs/dbraw/zinc/67/61/83/951676183.db2.gz JDMFOCDTHAOUQC-AAEUAGOBSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077870 951676188 /nfs/dbraw/zinc/67/61/88/951676188.db2.gz JDMFOCDTHAOUQC-AAEUAGOBSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077868 951676325 /nfs/dbraw/zinc/67/63/25/951676325.db2.gz JCUDTZCUBHJMSV-QWRGUYRKSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077868 951676330 /nfs/dbraw/zinc/67/63/30/951676330.db2.gz JCUDTZCUBHJMSV-QWRGUYRKSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078261 951679581 /nfs/dbraw/zinc/67/95/81/951679581.db2.gz KSJKFUJAFFZERS-SNVBAGLBSA-N 0 3 386.391 0.245 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078261 951679587 /nfs/dbraw/zinc/67/95/87/951679587.db2.gz KSJKFUJAFFZERS-SNVBAGLBSA-N 0 3 386.391 0.245 20 0 GCADHN C[C@H](CNC(=O)C1(C(N)=O)CC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078482 951680828 /nfs/dbraw/zinc/68/08/28/951680828.db2.gz KJEIKOYYCBCCSB-JTQLQIEISA-N 0 3 375.408 0.113 20 0 GCADHN C[C@H](CNC(=O)C1(C(N)=O)CC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078482 951680832 /nfs/dbraw/zinc/68/08/32/951680832.db2.gz KJEIKOYYCBCCSB-JTQLQIEISA-N 0 3 375.408 0.113 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575078811 951684544 /nfs/dbraw/zinc/68/45/44/951684544.db2.gz ADIYAHMDKOJRGP-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575078811 951684548 /nfs/dbraw/zinc/68/45/48/951684548.db2.gz ADIYAHMDKOJRGP-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079262 951689626 /nfs/dbraw/zinc/68/96/26/951689626.db2.gz MVWXIXGITYQAHE-QWRGUYRKSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079262 951689632 /nfs/dbraw/zinc/68/96/32/951689632.db2.gz MVWXIXGITYQAHE-QWRGUYRKSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079318 951690051 /nfs/dbraw/zinc/69/00/51/951690051.db2.gz CSOFYAVCCAECSG-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079318 951690055 /nfs/dbraw/zinc/69/00/55/951690055.db2.gz CSOFYAVCCAECSG-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1COCCO1 ZINC001575079445 951692396 /nfs/dbraw/zinc/69/23/96/951692396.db2.gz FBWZFUNFFVSUAC-XHDPSFHLSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1COCCO1 ZINC001575079445 951692400 /nfs/dbraw/zinc/69/24/00/951692400.db2.gz FBWZFUNFFVSUAC-XHDPSFHLSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079496 951692958 /nfs/dbraw/zinc/69/29/58/951692958.db2.gz FPVNKFANKKHFLI-CYBMUJFWSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079496 951692965 /nfs/dbraw/zinc/69/29/65/951692965.db2.gz FPVNKFANKKHFLI-CYBMUJFWSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCn1cnnn1 ZINC001575080174 951705974 /nfs/dbraw/zinc/70/59/74/951705974.db2.gz WQNIUWHCSUOOPY-LLVKDONJSA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575080390 951708354 /nfs/dbraw/zinc/70/83/54/951708354.db2.gz KTPNVMQWVPNFDE-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575080390 951708364 /nfs/dbraw/zinc/70/83/64/951708364.db2.gz KTPNVMQWVPNFDE-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081137 951720822 /nfs/dbraw/zinc/72/08/22/951720822.db2.gz OMPXOGLFVLJOBK-WBMJQRKESA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081137 951720829 /nfs/dbraw/zinc/72/08/29/951720829.db2.gz OMPXOGLFVLJOBK-WBMJQRKESA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081370 951721601 /nfs/dbraw/zinc/72/16/01/951721601.db2.gz UCLZNIRNSWBESE-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081370 951721612 /nfs/dbraw/zinc/72/16/12/951721612.db2.gz UCLZNIRNSWBESE-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575081769 951726407 /nfs/dbraw/zinc/72/64/07/951726407.db2.gz VGTAYJKKQXZTTM-RKDXNWHRSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575081769 951726411 /nfs/dbraw/zinc/72/64/11/951726411.db2.gz VGTAYJKKQXZTTM-RKDXNWHRSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575082412 951733779 /nfs/dbraw/zinc/73/37/79/951733779.db2.gz YIJSAKRTQADILS-APPDUMDISA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575082412 951733784 /nfs/dbraw/zinc/73/37/84/951733784.db2.gz YIJSAKRTQADILS-APPDUMDISA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575088486 951739960 /nfs/dbraw/zinc/73/99/60/951739960.db2.gz ACLDVEYZTZYOIJ-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575088683 951741396 /nfs/dbraw/zinc/74/13/96/951741396.db2.gz AJBCUYAQBZYQAW-JTQLQIEISA-N 0 3 386.391 0.245 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575088683 951741403 /nfs/dbraw/zinc/74/14/03/951741403.db2.gz AJBCUYAQBZYQAW-JTQLQIEISA-N 0 3 386.391 0.245 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089090 951745755 /nfs/dbraw/zinc/74/57/55/951745755.db2.gz DFYXZMJIEWUQJG-IAQYHMDHSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089090 951745760 /nfs/dbraw/zinc/74/57/60/951745760.db2.gz DFYXZMJIEWUQJG-IAQYHMDHSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089567 951750467 /nfs/dbraw/zinc/75/04/67/951750467.db2.gz GOOWEWCYGUFYSB-VXGBXAGGSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089567 951750472 /nfs/dbraw/zinc/75/04/72/951750472.db2.gz GOOWEWCYGUFYSB-VXGBXAGGSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575089680 951751522 /nfs/dbraw/zinc/75/15/22/951751522.db2.gz HJZMLHHPTVACQL-DGCLKSJQSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090241 951758169 /nfs/dbraw/zinc/75/81/69/951758169.db2.gz KEYSJUBHZJGOBH-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090241 951758177 /nfs/dbraw/zinc/75/81/77/951758177.db2.gz KEYSJUBHZJGOBH-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090153 951758959 /nfs/dbraw/zinc/75/89/59/951758959.db2.gz JSZIVTFBFPQZBC-JTQLQIEISA-N 0 3 388.407 0.601 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090153 951758963 /nfs/dbraw/zinc/75/89/63/951758963.db2.gz JSZIVTFBFPQZBC-JTQLQIEISA-N 0 3 388.407 0.601 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575090251 951759017 /nfs/dbraw/zinc/75/90/17/951759017.db2.gz KFEJEKVVUKWLQO-NOZJJQNGSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575090258 951759064 /nfs/dbraw/zinc/75/90/64/951759064.db2.gz KFEJEKVVUKWLQO-ZANVPECISA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090204 951759482 /nfs/dbraw/zinc/75/94/82/951759482.db2.gz KARBBPAPSHMFMY-PIGZYNQJSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090204 951759486 /nfs/dbraw/zinc/75/94/86/951759486.db2.gz KARBBPAPSHMFMY-PIGZYNQJSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575090723 951763663 /nfs/dbraw/zinc/76/36/63/951763663.db2.gz LLRYCHDBJVPRBU-APWZRJJASA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575090723 951763665 /nfs/dbraw/zinc/76/36/65/951763665.db2.gz LLRYCHDBJVPRBU-APWZRJJASA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CN1CCOCC1 ZINC001575091056 951767841 /nfs/dbraw/zinc/76/78/41/951767841.db2.gz NHIPOUPXTHKLKS-ZDUSSCGKSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575091579 951778850 /nfs/dbraw/zinc/77/88/50/951778850.db2.gz SHCJNVBAVAOSOC-WCQYABFASA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091818 951783549 /nfs/dbraw/zinc/78/35/49/951783549.db2.gz VCZJNASLKJLLJZ-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091818 951783557 /nfs/dbraw/zinc/78/35/57/951783557.db2.gz VCZJNASLKJLLJZ-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091863 951785719 /nfs/dbraw/zinc/78/57/19/951785719.db2.gz WEYOVDBVPQLTKH-CZUORRHYSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091863 951785727 /nfs/dbraw/zinc/78/57/27/951785727.db2.gz WEYOVDBVPQLTKH-CZUORRHYSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575092003 951789655 /nfs/dbraw/zinc/78/96/55/951789655.db2.gz XRFDCMVRJDCARD-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CN1CCCNC1=O ZINC001575092208 951790977 /nfs/dbraw/zinc/79/09/77/951790977.db2.gz AWUPEVCPLLEAMG-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CN1CCCNC1=O ZINC001575092208 951790983 /nfs/dbraw/zinc/79/09/83/951790983.db2.gz AWUPEVCPLLEAMG-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001575092196 951791756 /nfs/dbraw/zinc/79/17/56/951791756.db2.gz YZPLKAKRLBXFST-BLLLJJGKSA-N 0 3 391.451 0.273 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575092950 951796799 /nfs/dbraw/zinc/79/67/99/951796799.db2.gz GHKSBIUHJMRIPJ-WQVCFCJDSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575092950 951796804 /nfs/dbraw/zinc/79/68/04/951796804.db2.gz GHKSBIUHJMRIPJ-WQVCFCJDSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575093394 951798595 /nfs/dbraw/zinc/79/85/95/951798595.db2.gz ILJBIBBRKAWHJH-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575093394 951798601 /nfs/dbraw/zinc/79/86/01/951798601.db2.gz ILJBIBBRKAWHJH-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575093447 951799894 /nfs/dbraw/zinc/79/98/94/951799894.db2.gz JWDUSSRMMCBMQJ-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575093447 951799899 /nfs/dbraw/zinc/79/98/99/951799899.db2.gz JWDUSSRMMCBMQJ-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575096189 951818686 /nfs/dbraw/zinc/81/86/86/951818686.db2.gz ZZXAJCRXOWFZGI-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001575101332 951857927 /nfs/dbraw/zinc/85/79/27/951857927.db2.gz BQXOGPJECQXOPC-BBATYDOGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001575101332 951857935 /nfs/dbraw/zinc/85/79/35/951857935.db2.gz BQXOGPJECQXOPC-BBATYDOGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102683 951870477 /nfs/dbraw/zinc/87/04/77/951870477.db2.gz OGHYAWVHTCGZPM-JTQLQIEISA-N 0 3 386.391 0.245 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102683 951870485 /nfs/dbraw/zinc/87/04/85/951870485.db2.gz OGHYAWVHTCGZPM-JTQLQIEISA-N 0 3 386.391 0.245 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104014 951878708 /nfs/dbraw/zinc/87/87/08/951878708.db2.gz AWMITEJCEJMVRA-CJNGLKHVSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104014 951878713 /nfs/dbraw/zinc/87/87/13/951878713.db2.gz AWMITEJCEJMVRA-CJNGLKHVSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575104169 951882270 /nfs/dbraw/zinc/88/22/70/951882270.db2.gz XVWOFZJPFGCZLW-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575104169 951882285 /nfs/dbraw/zinc/88/22/85/951882285.db2.gz XVWOFZJPFGCZLW-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575104253 951883921 /nfs/dbraw/zinc/88/39/21/951883921.db2.gz YNZJRBZERKHZAU-CYBMUJFWSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575104253 951883934 /nfs/dbraw/zinc/88/39/34/951883934.db2.gz YNZJRBZERKHZAU-CYBMUJFWSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1COCCO1 ZINC001575104486 951886631 /nfs/dbraw/zinc/88/66/31/951886631.db2.gz DJCMEFAXZFKARW-XHDPSFHLSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1COCCO1 ZINC001575104486 951886634 /nfs/dbraw/zinc/88/66/34/951886634.db2.gz DJCMEFAXZFKARW-XHDPSFHLSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105388 951894359 /nfs/dbraw/zinc/89/43/59/951894359.db2.gz IPILCWBNQITONN-CYBMUJFWSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105388 951894368 /nfs/dbraw/zinc/89/43/68/951894368.db2.gz IPILCWBNQITONN-CYBMUJFWSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575105597 951895978 /nfs/dbraw/zinc/89/59/78/951895978.db2.gz KXFQPIUHHQNNDM-VQIMIIECSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575105597 951895986 /nfs/dbraw/zinc/89/59/86/951895986.db2.gz KXFQPIUHHQNNDM-VQIMIIECSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105632 951896682 /nfs/dbraw/zinc/89/66/82/951896682.db2.gz LWZXMELJUUPVMB-DOMZBBRYSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105632 951896701 /nfs/dbraw/zinc/89/67/01/951896701.db2.gz LWZXMELJUUPVMB-DOMZBBRYSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575105670 951898461 /nfs/dbraw/zinc/89/84/61/951898461.db2.gz MRIIEYSXBXXIKW-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575105670 951898469 /nfs/dbraw/zinc/89/84/69/951898469.db2.gz MRIIEYSXBXXIKW-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575106233 951902882 /nfs/dbraw/zinc/90/28/82/951902882.db2.gz RHRRYEBLKKBQON-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575106233 951902886 /nfs/dbraw/zinc/90/28/86/951902886.db2.gz RHRRYEBLKKBQON-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575106570 951904185 /nfs/dbraw/zinc/90/41/85/951904185.db2.gz SHNUVARARXPOAE-KDOFPFPSSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575106570 951904191 /nfs/dbraw/zinc/90/41/91/951904191.db2.gz SHNUVARARXPOAE-KDOFPFPSSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575106952 951909987 /nfs/dbraw/zinc/90/99/87/951909987.db2.gz WHSMZRSUKXUAPW-JSGCOSHPSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575106952 951909994 /nfs/dbraw/zinc/90/99/94/951909994.db2.gz WHSMZRSUKXUAPW-JSGCOSHPSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107125 951913052 /nfs/dbraw/zinc/91/30/52/951913052.db2.gz ZLNSXBPQTKCHQC-CYBMUJFWSA-N 0 3 386.460 0.124 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107125 951913055 /nfs/dbraw/zinc/91/30/55/951913055.db2.gz ZLNSXBPQTKCHQC-CYBMUJFWSA-N 0 3 386.460 0.124 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575107114 951913811 /nfs/dbraw/zinc/91/38/11/951913811.db2.gz ZBBAZOAKEXOHDZ-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575107114 951913816 /nfs/dbraw/zinc/91/38/16/951913816.db2.gz ZBBAZOAKEXOHDZ-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCCn1cncn1 ZINC001575107696 951921011 /nfs/dbraw/zinc/92/10/11/951921011.db2.gz HXMUQLJNSRNNKO-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCCn1cncn1 ZINC001575107696 951921017 /nfs/dbraw/zinc/92/10/17/951921017.db2.gz HXMUQLJNSRNNKO-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575107948 951923257 /nfs/dbraw/zinc/92/32/57/951923257.db2.gz JPQFDFYKBGJBNQ-DOMZBBRYSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575107948 951923261 /nfs/dbraw/zinc/92/32/61/951923261.db2.gz JPQFDFYKBGJBNQ-DOMZBBRYSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCS(C)(=O)=O ZINC001575110278 951939538 /nfs/dbraw/zinc/93/95/38/951939538.db2.gz ZDYAJMBNMHMCGA-GFCCVEGCSA-N 0 3 380.474 0.238 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCS(C)(=O)=O ZINC001575110278 951939543 /nfs/dbraw/zinc/93/95/43/951939543.db2.gz ZDYAJMBNMHMCGA-GFCCVEGCSA-N 0 3 380.474 0.238 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575113615 951943510 /nfs/dbraw/zinc/94/35/10/951943510.db2.gz CDMBNMAYEQETLJ-RDTXWAMCSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575113615 951943512 /nfs/dbraw/zinc/94/35/12/951943512.db2.gz CDMBNMAYEQETLJ-RDTXWAMCSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113899 951949555 /nfs/dbraw/zinc/94/95/55/951949555.db2.gz HVEOMDGJGILMEK-BFUOFWGJSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113899 951949559 /nfs/dbraw/zinc/94/95/59/951949559.db2.gz HVEOMDGJGILMEK-BFUOFWGJSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114757 951958257 /nfs/dbraw/zinc/95/82/57/951958257.db2.gz SJBOUSSCRNPWGK-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114757 951958265 /nfs/dbraw/zinc/95/82/65/951958265.db2.gz SJBOUSSCRNPWGK-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001575114616 951958644 /nfs/dbraw/zinc/95/86/44/951958644.db2.gz RGQBGJHYMLMHBM-VXGBXAGGSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001575114616 951958652 /nfs/dbraw/zinc/95/86/52/951958652.db2.gz RGQBGJHYMLMHBM-VXGBXAGGSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575153627 952211422 /nfs/dbraw/zinc/21/14/22/952211422.db2.gz IWYIZXNYMUKAIL-GFCCVEGCSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575153627 952211429 /nfs/dbraw/zinc/21/14/29/952211429.db2.gz IWYIZXNYMUKAIL-GFCCVEGCSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001575184875 952425199 /nfs/dbraw/zinc/42/51/99/952425199.db2.gz GCHZEFHLXMEHNU-GFCCVEGCSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001575207235 952533616 /nfs/dbraw/zinc/53/36/16/952533616.db2.gz PFDROKNAELJZAV-LBPRGKRZSA-N 0 3 396.459 0.012 20 0 GCADHN C[C@@H](Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001575207235 952533621 /nfs/dbraw/zinc/53/36/21/952533621.db2.gz PFDROKNAELJZAV-LBPRGKRZSA-N 0 3 396.459 0.012 20 0 GCADHN CC(F)(F)C(=O)N1CCO[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001575212866 952555253 /nfs/dbraw/zinc/55/52/53/952555253.db2.gz MTDPZPHDYACDLS-GFCCVEGCSA-N 0 3 384.362 0.978 20 0 GCADHN CC(F)(F)C(=O)N1CCO[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001575212866 952555257 /nfs/dbraw/zinc/55/52/57/952555257.db2.gz MTDPZPHDYACDLS-GFCCVEGCSA-N 0 3 384.362 0.978 20 0 GCADHN CC(F)(F)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575213009 952556695 /nfs/dbraw/zinc/55/66/95/952556695.db2.gz QEGAUYJFJFSEIQ-KRWDZBQOSA-N 0 3 380.399 0.965 20 0 GCADHN CC(F)(F)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575213887 952560984 /nfs/dbraw/zinc/56/09/84/952560984.db2.gz WGFLVAQSGAKNSM-NSHDSACASA-N 0 3 384.362 0.978 20 0 GCADHN CC(F)(F)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001575213887 952560989 /nfs/dbraw/zinc/56/09/89/952560989.db2.gz WGFLVAQSGAKNSM-NSHDSACASA-N 0 3 384.362 0.978 20 0 GCADHN O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(-c2nn[n-]n2)ccn1 ZINC001571142070 952638784 /nfs/dbraw/zinc/63/87/84/952638784.db2.gz OUEQROXACXZIHX-IBGZPJMESA-N 0 3 379.424 0.629 20 0 GCADHN O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2nn[n-]n2)ccn1 ZINC001571142070 952638788 /nfs/dbraw/zinc/63/87/88/952638788.db2.gz OUEQROXACXZIHX-IBGZPJMESA-N 0 3 379.424 0.629 20 0 GCADHN Cn1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1=O ZINC001571142392 952641387 /nfs/dbraw/zinc/64/13/87/952641387.db2.gz TVYTWSQVGRLXBG-GASCZTMLSA-N 0 3 379.424 0.616 20 0 GCADHN Cn1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1=O ZINC001571142392 952641391 /nfs/dbraw/zinc/64/13/91/952641391.db2.gz TVYTWSQVGRLXBG-GASCZTMLSA-N 0 3 379.424 0.616 20 0 GCADHN Cc1nn(C)c(N2CC[NH+](CC3(O)CCSCC3)CC2)c1-c1nnn[n-]1 ZINC001571142712 952645519 /nfs/dbraw/zinc/64/55/19/952645519.db2.gz WJXKUPDWWDDOFP-UHFFFAOYSA-N 0 3 378.506 0.289 20 0 GCADHN O=C(Cn1ccnc1)N1CCC[C@H]2[C@H]1CCN2c1ccncc1-c1nn[nH]n1 ZINC001571146261 952648307 /nfs/dbraw/zinc/64/83/07/952648307.db2.gz FGLAPHUFENIGIW-JKSUJKDBSA-N 0 3 379.428 0.728 20 0 GCADHN Nc1nccnc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571146614 952650515 /nfs/dbraw/zinc/65/05/15/952650515.db2.gz JWCQHKSYCMQYDY-XBXGTLAGSA-N 0 3 379.428 0.537 20 0 GCADHN Nc1nccnc1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571146614 952650520 /nfs/dbraw/zinc/65/05/20/952650520.db2.gz JWCQHKSYCMQYDY-XBXGTLAGSA-N 0 3 379.428 0.537 20 0 GCADHN CN(C(=O)c1nccnc1N)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571146914 952653982 /nfs/dbraw/zinc/65/39/82/952653982.db2.gz CTGOGNQCMQQMKG-UHFFFAOYSA-N 0 3 379.428 0.632 20 0 GCADHN CN(C(=O)c1nccnc1N)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571146914 952653986 /nfs/dbraw/zinc/65/39/86/952653986.db2.gz CTGOGNQCMQQMKG-UHFFFAOYSA-N 0 3 379.428 0.632 20 0 GCADHN COc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571158666 952713698 /nfs/dbraw/zinc/71/36/98/952713698.db2.gz LYNBQUDBEZQSLU-CYBMUJFWSA-N 0 3 380.412 0.670 20 0 GCADHN COc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571158666 952713708 /nfs/dbraw/zinc/71/37/08/952713708.db2.gz LYNBQUDBEZQSLU-CYBMUJFWSA-N 0 3 380.412 0.670 20 0 GCADHN NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571161399 952732105 /nfs/dbraw/zinc/73/21/05/952732105.db2.gz UTSQQYCMQHWYAK-TXEJJXNPSA-N 0 3 380.412 0.344 20 0 GCADHN NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571161399 952732109 /nfs/dbraw/zinc/73/21/09/952732109.db2.gz UTSQQYCMQHWYAK-TXEJJXNPSA-N 0 3 380.412 0.344 20 0 GCADHN O=C(NC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001571161634 952734296 /nfs/dbraw/zinc/73/42/96/952734296.db2.gz ZIEQHSGCGFZNLV-GFCCVEGCSA-N 0 3 380.412 0.614 20 0 GCADHN O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001571161634 952734297 /nfs/dbraw/zinc/73/42/97/952734297.db2.gz ZIEQHSGCGFZNLV-GFCCVEGCSA-N 0 3 380.412 0.614 20 0 GCADHN O=C(NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)c1ccc(=O)[nH]n1 ZINC001571161634 952734299 /nfs/dbraw/zinc/73/42/99/952734299.db2.gz ZIEQHSGCGFZNLV-GFCCVEGCSA-N 0 3 380.412 0.614 20 0 GCADHN O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)c1ccc(=O)[nH]n1 ZINC001571161634 952734303 /nfs/dbraw/zinc/73/43/03/952734303.db2.gz ZIEQHSGCGFZNLV-GFCCVEGCSA-N 0 3 380.412 0.614 20 0 GCADHN Cc1cc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cn[nH]n2)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571162314 952742103 /nfs/dbraw/zinc/74/21/03/952742103.db2.gz QDBNPSCPYVJBLQ-TUAOUCFPSA-N 0 3 380.416 0.215 20 0 GCADHN CN(C(=O)Cc1ccn(C)n1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571170458 952786006 /nfs/dbraw/zinc/78/60/06/952786006.db2.gz VCHMKMMORIYVMX-UHFFFAOYSA-N 0 3 380.456 0.922 20 0 GCADHN CN(C(=O)Cc1ccn(C)n1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571170458 952786010 /nfs/dbraw/zinc/78/60/10/952786010.db2.gz VCHMKMMORIYVMX-UHFFFAOYSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001571180927 952861318 /nfs/dbraw/zinc/86/13/18/952861318.db2.gz RKRNAOHXFCZMFJ-XJKSGUPXSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001571180927 952861325 /nfs/dbraw/zinc/86/13/25/952861325.db2.gz RKRNAOHXFCZMFJ-XJKSGUPXSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC001571183010 952872184 /nfs/dbraw/zinc/87/21/84/952872184.db2.gz LYYYQZSPHBDSKQ-SJCJKPOMSA-N 0 3 381.440 0.937 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571183516 952878974 /nfs/dbraw/zinc/87/89/74/952878974.db2.gz CKZBVMIPAGBDSR-DOMZBBRYSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571183516 952878976 /nfs/dbraw/zinc/87/89/76/952878976.db2.gz CKZBVMIPAGBDSR-DOMZBBRYSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571184008 952886614 /nfs/dbraw/zinc/88/66/14/952886614.db2.gz OMLDSQFLPGOWHZ-XJKSGUPXSA-N 0 3 381.444 0.343 20 0 GCADHN C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571184008 952886616 /nfs/dbraw/zinc/88/66/16/952886616.db2.gz OMLDSQFLPGOWHZ-XJKSGUPXSA-N 0 3 381.444 0.343 20 0 GCADHN C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571184777 952897467 /nfs/dbraw/zinc/89/74/67/952897467.db2.gz CYHNYHQALDSYQP-CZUORRHYSA-N 0 3 381.444 0.485 20 0 GCADHN C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571184777 952897472 /nfs/dbraw/zinc/89/74/72/952897472.db2.gz CYHNYHQALDSYQP-CZUORRHYSA-N 0 3 381.444 0.485 20 0 GCADHN CCn1nncc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571185595 952902927 /nfs/dbraw/zinc/90/29/27/952902927.db2.gz NTRYPCKFHNMIGK-SWLSCSKDSA-N 0 3 381.444 0.728 20 0 GCADHN CCn1nncc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571185595 952902937 /nfs/dbraw/zinc/90/29/37/952902937.db2.gz NTRYPCKFHNMIGK-SWLSCSKDSA-N 0 3 381.444 0.728 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001571186133 952905625 /nfs/dbraw/zinc/90/56/25/952905625.db2.gz TWHDZQIONNHFOM-AWEZNQCLSA-N 0 3 381.444 0.730 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001571186133 952905629 /nfs/dbraw/zinc/90/56/29/952905629.db2.gz TWHDZQIONNHFOM-AWEZNQCLSA-N 0 3 381.444 0.730 20 0 GCADHN Cc1c[nH]c(C(=O)N2CC[C@@H](CCNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571187666 952909114 /nfs/dbraw/zinc/90/91/14/952909114.db2.gz AJJCYLYHVOVZHG-CYBMUJFWSA-N 0 3 381.444 0.988 20 0 GCADHN Cc1cc(N[C@@H](C)[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188131 952912076 /nfs/dbraw/zinc/91/20/76/952912076.db2.gz GEVDIWWRNTUJRN-QWHCGFSZSA-N 0 3 381.444 0.607 20 0 GCADHN Cc1cc(N[C@@H]2CN(C(=O)Cn3ccnc3)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188426 952914243 /nfs/dbraw/zinc/91/42/43/952914243.db2.gz KNQHLIJTVPROIL-OAHLLOKOSA-N 0 3 381.444 0.538 20 0 GCADHN Cc1cc(NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188659 952918538 /nfs/dbraw/zinc/91/85/38/952918538.db2.gz MMUAGYXNVXKDBN-QWHCGFSZSA-N 0 3 381.444 0.655 20 0 GCADHN Cc1cc(NC[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188656 952918656 /nfs/dbraw/zinc/91/86/56/952918656.db2.gz MMUAGYXNVXKDBN-CHWSQXEVSA-N 0 3 381.444 0.655 20 0 GCADHN Cn1cc(C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)nn1 ZINC001571188770 952919834 /nfs/dbraw/zinc/91/98/34/952919834.db2.gz IOZBHFPCOCWPMX-UHFFFAOYSA-N 0 3 381.444 0.780 20 0 GCADHN Cn1cc(C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)nn1 ZINC001571188770 952919837 /nfs/dbraw/zinc/91/98/37/952919837.db2.gz IOZBHFPCOCWPMX-UHFFFAOYSA-N 0 3 381.444 0.780 20 0 GCADHN Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571189269 952928432 /nfs/dbraw/zinc/92/84/32/952928432.db2.gz OZNWFGSWFABVAD-SMDDNHRTSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571189269 952928434 /nfs/dbraw/zinc/92/84/34/952928434.db2.gz OZNWFGSWFABVAD-SMDDNHRTSA-N 0 3 381.444 0.934 20 0 GCADHN Cn1cc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571189395 952929114 /nfs/dbraw/zinc/92/91/14/952929114.db2.gz QWPNKSNCGCCQOD-DZGCQCFKSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1cc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571189395 952929118 /nfs/dbraw/zinc/92/91/18/952929118.db2.gz QWPNKSNCGCCQOD-DZGCQCFKSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1cc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571189396 952929777 /nfs/dbraw/zinc/92/97/77/952929777.db2.gz QWPNKSNCGCCQOD-HIFRSBDPSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1cc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571189396 952929781 /nfs/dbraw/zinc/92/97/81/952929781.db2.gz QWPNKSNCGCCQOD-HIFRSBDPSA-N 0 3 381.444 0.684 20 0 GCADHN Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)Cc2ncc[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189501 952930302 /nfs/dbraw/zinc/93/03/02/952930302.db2.gz WETQWESMWSPAFD-TZMCWYRMSA-N 0 3 381.444 0.655 20 0 GCADHN Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571189920 952937991 /nfs/dbraw/zinc/93/79/91/952937991.db2.gz ZHJBMQASDGHYLJ-BXUZGUMPSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571189920 952937997 /nfs/dbraw/zinc/93/79/97/952937997.db2.gz ZHJBMQASDGHYLJ-BXUZGUMPSA-N 0 3 381.444 0.934 20 0 GCADHN COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nn1C ZINC001571198854 952993806 /nfs/dbraw/zinc/99/38/06/952993806.db2.gz HLXYKVNZIXEQDM-HDJSIYSDSA-N 0 3 382.428 0.659 20 0 GCADHN COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nn1C ZINC001571198854 952993812 /nfs/dbraw/zinc/99/38/12/952993812.db2.gz HLXYKVNZIXEQDM-HDJSIYSDSA-N 0 3 382.428 0.659 20 0 GCADHN COc1c(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)cnn1C ZINC001571199412 952999800 /nfs/dbraw/zinc/99/98/00/952999800.db2.gz QAYGDCYOAUDIDI-CYBMUJFWSA-N 0 3 382.428 0.613 20 0 GCADHN COc1c(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)cnn1C ZINC001571199412 952999803 /nfs/dbraw/zinc/99/98/03/952999803.db2.gz QAYGDCYOAUDIDI-CYBMUJFWSA-N 0 3 382.428 0.613 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571205398 953038055 /nfs/dbraw/zinc/03/80/55/953038055.db2.gz JDYLCWGCKFHFAH-CQSZACIVSA-N 0 3 382.428 0.881 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571205398 953038057 /nfs/dbraw/zinc/03/80/57/953038057.db2.gz JDYLCWGCKFHFAH-CQSZACIVSA-N 0 3 382.428 0.881 20 0 GCADHN Cn1c(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c[nH]c1=O ZINC001571205396 953038454 /nfs/dbraw/zinc/03/84/54/953038454.db2.gz IXHQREPQUXQSMJ-AWEZNQCLSA-N 0 3 382.428 0.700 20 0 GCADHN Cn1c(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c[nH]c1=O ZINC001571205396 953038457 /nfs/dbraw/zinc/03/84/57/953038457.db2.gz IXHQREPQUXQSMJ-AWEZNQCLSA-N 0 3 382.428 0.700 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CCn1cnnn1 ZINC001571206244 953049013 /nfs/dbraw/zinc/04/90/13/953049013.db2.gz SOVZQWQIBDTQEE-IUODEOHRSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CCn1cnnn1 ZINC001571206244 953049016 /nfs/dbraw/zinc/04/90/16/953049016.db2.gz SOVZQWQIBDTQEE-IUODEOHRSA-N 0 3 382.432 0.023 20 0 GCADHN Cn1nnc(C(=O)N2CCC([N@H+](C)Cc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC001571207262 953061381 /nfs/dbraw/zinc/06/13/81/953061381.db2.gz PFBBCKLOEAAHKW-UHFFFAOYSA-N 0 3 382.432 0.127 20 0 GCADHN Cn1nnc(C(=O)N2CCC([N@@H+](C)Cc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC001571207262 953061384 /nfs/dbraw/zinc/06/13/84/953061384.db2.gz PFBBCKLOEAAHKW-UHFFFAOYSA-N 0 3 382.432 0.127 20 0 GCADHN Cn1nnc(C(=O)N2CCC([N@H+](C)Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001571207262 953061388 /nfs/dbraw/zinc/06/13/88/953061388.db2.gz PFBBCKLOEAAHKW-UHFFFAOYSA-N 0 3 382.432 0.127 20 0 GCADHN Cn1nnc(C(=O)N2CCC([N@@H+](C)Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001571207262 953061390 /nfs/dbraw/zinc/06/13/90/953061390.db2.gz PFBBCKLOEAAHKW-UHFFFAOYSA-N 0 3 382.432 0.127 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571209879 953068812 /nfs/dbraw/zinc/06/88/12/953068812.db2.gz HNHBLLJAJZCMRY-RAIGVLPGSA-N 0 3 382.432 0.072 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571209879 953068815 /nfs/dbraw/zinc/06/88/15/953068815.db2.gz HNHBLLJAJZCMRY-RAIGVLPGSA-N 0 3 382.432 0.072 20 0 GCADHN Cn1nnc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)n1 ZINC001571210035 953070687 /nfs/dbraw/zinc/07/06/87/953070687.db2.gz MEKCSJVFQVQFQN-JOCQHMNTSA-N 0 3 382.432 0.221 20 0 GCADHN Cn1nnc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)n1 ZINC001571210035 953070690 /nfs/dbraw/zinc/07/06/90/953070690.db2.gz MEKCSJVFQVQFQN-JOCQHMNTSA-N 0 3 382.432 0.221 20 0 GCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ccncc2-c2nn[n-]n2)CC1 ZINC001571212984 953091531 /nfs/dbraw/zinc/09/15/31/953091531.db2.gz PFAHSFOGHSKGJK-IYBDPMFKSA-N 0 3 382.472 0.926 20 0 GCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2ccncc2-c2nn[n-]n2)CC1 ZINC001571212984 953091535 /nfs/dbraw/zinc/09/15/35/953091535.db2.gz PFAHSFOGHSKGJK-IYBDPMFKSA-N 0 3 382.472 0.926 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nc2)CC3)C1 ZINC001571214059 953099435 /nfs/dbraw/zinc/09/94/35/953099435.db2.gz VYHHQCGCLMZDSL-CZUORRHYSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nc2)CC3)C1 ZINC001571214059 953099438 /nfs/dbraw/zinc/09/94/38/953099438.db2.gz VYHHQCGCLMZDSL-CZUORRHYSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nc2)CC3)C1 ZINC001571214059 953099441 /nfs/dbraw/zinc/09/94/41/953099441.db2.gz VYHHQCGCLMZDSL-CZUORRHYSA-N 0 3 382.472 0.689 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nc2)CC3)C1 ZINC001571214059 953099444 /nfs/dbraw/zinc/09/94/44/953099444.db2.gz VYHHQCGCLMZDSL-CZUORRHYSA-N 0 3 382.472 0.689 20 0 GCADHN Cc1cc(N[C@H]2C[C@H](CNC(=O)c3cn(C)c(=O)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571226669 953156650 /nfs/dbraw/zinc/15/66/50/953156650.db2.gz VNVTVGCHFNKPFU-XYPYZODXSA-N 0 3 383.416 0.052 20 0 GCADHN CN(C(=O)[C@H]1CCC(=O)NC1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571230279 953175044 /nfs/dbraw/zinc/17/50/44/953175044.db2.gz CBJKNGCBAJXNDY-FHERZECASA-N 0 3 383.456 0.472 20 0 GCADHN CN(C(=O)[C@H]1CCC(=O)NC1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571230279 953175047 /nfs/dbraw/zinc/17/50/47/953175047.db2.gz CBJKNGCBAJXNDY-FHERZECASA-N 0 3 383.456 0.472 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571230767 953179605 /nfs/dbraw/zinc/17/96/05/953179605.db2.gz JWNQTNVMGDSWJY-INIZCTEOSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571230767 953179609 /nfs/dbraw/zinc/17/96/09/953179609.db2.gz JWNQTNVMGDSWJY-INIZCTEOSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C2CC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571230911 953181048 /nfs/dbraw/zinc/18/10/48/953181048.db2.gz NEIGJXFPNQUQQR-UHFFFAOYSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C2CC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571230911 953181051 /nfs/dbraw/zinc/18/10/51/953181051.db2.gz NEIGJXFPNQUQQR-UHFFFAOYSA-N 0 3 383.456 0.424 20 0 GCADHN O=C(NC1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1CCC(=O)N1 ZINC001571232033 953185615 /nfs/dbraw/zinc/18/56/15/953185615.db2.gz AQNJUUPUFOLGBK-GPANFISMSA-N 0 3 383.456 0.662 20 0 GCADHN O=C(NC1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1CCC(=O)N1 ZINC001571232033 953185617 /nfs/dbraw/zinc/18/56/17/953185617.db2.gz AQNJUUPUFOLGBK-GPANFISMSA-N 0 3 383.456 0.662 20 0 GCADHN O=C(C[C@H]1CCNC1=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571231989 953185621 /nfs/dbraw/zinc/18/56/21/953185621.db2.gz AJZNAQVTLOKAOR-OAHLLOKOSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571232130 953186050 /nfs/dbraw/zinc/18/60/50/953186050.db2.gz BQBGPXJMWHXGFC-HOCLYGCPSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571232130 953186054 /nfs/dbraw/zinc/18/60/54/953186054.db2.gz BQBGPXJMWHXGFC-HOCLYGCPSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571232678 953188393 /nfs/dbraw/zinc/18/83/93/953188393.db2.gz IZWMCWHJZKNQBA-OCCSQVGLSA-N 0 3 383.460 0.544 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCC(=O)N1 ZINC001571232840 953189172 /nfs/dbraw/zinc/18/91/72/953189172.db2.gz KYFXWBZPNVRXEK-KUHUBIRLSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCC(=O)N1 ZINC001571232840 953189174 /nfs/dbraw/zinc/18/91/74/953189174.db2.gz KYFXWBZPNVRXEK-KUHUBIRLSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001571233294 953191510 /nfs/dbraw/zinc/19/15/10/953191510.db2.gz RERVSWIUZJEGOE-XJKSGUPXSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001571233294 953191516 /nfs/dbraw/zinc/19/15/16/953191516.db2.gz RERVSWIUZJEGOE-XJKSGUPXSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001571233294 953191518 /nfs/dbraw/zinc/19/15/18/953191518.db2.gz RERVSWIUZJEGOE-XJKSGUPXSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001571233294 953191524 /nfs/dbraw/zinc/19/15/24/953191524.db2.gz RERVSWIUZJEGOE-XJKSGUPXSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C[NH2+]Cc1cncn1C ZINC001571233427 953192337 /nfs/dbraw/zinc/19/23/37/953192337.db2.gz UYXSSUXRECEOJJ-STQMWFEESA-N 0 3 383.460 0.816 20 0 GCADHN CCn1cc(CC[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571233445 953192751 /nfs/dbraw/zinc/19/27/51/953192751.db2.gz VNFJETIRVXUCBO-GXTWGEPZSA-N 0 3 383.460 0.847 20 0 GCADHN CCn1cc(CC[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571233445 953192752 /nfs/dbraw/zinc/19/27/52/953192752.db2.gz VNFJETIRVXUCBO-GXTWGEPZSA-N 0 3 383.460 0.847 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@@H+]1CCc1ccnn1C ZINC001571233621 953194416 /nfs/dbraw/zinc/19/44/16/953194416.db2.gz YRKCGTWZDVGIMB-CHWSQXEVSA-N 0 3 383.460 0.754 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@H+]1CCc1ccnn1C ZINC001571233621 953194418 /nfs/dbraw/zinc/19/44/18/953194418.db2.gz YRKCGTWZDVGIMB-CHWSQXEVSA-N 0 3 383.460 0.754 20 0 GCADHN Cn1cc(CC[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC001571234323 953200773 /nfs/dbraw/zinc/20/07/73/953200773.db2.gz UKBPBMGDNHZKGE-HNNXBMFYSA-N 0 3 383.460 0.755 20 0 GCADHN Cn1cc(CC[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC001571234323 953200775 /nfs/dbraw/zinc/20/07/75/953200775.db2.gz UKBPBMGDNHZKGE-HNNXBMFYSA-N 0 3 383.460 0.755 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3nonc3C)C2)cc1-c1nnn[n-]1 ZINC001571237529 953222064 /nfs/dbraw/zinc/22/20/64/953222064.db2.gz JWTQZXYUIAFXQB-HAQNSBGRSA-N 0 3 384.400 0.617 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3nonc3C)C2)cc1-c1nn[n-]n1 ZINC001571237529 953222065 /nfs/dbraw/zinc/22/20/65/953222065.db2.gz JWTQZXYUIAFXQB-HAQNSBGRSA-N 0 3 384.400 0.617 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571239062 953235377 /nfs/dbraw/zinc/23/53/77/953235377.db2.gz FSFPEXSXHSWFHK-ABAIWWIYSA-N 0 3 384.419 0.990 20 0 GCADHN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571242250 953254853 /nfs/dbraw/zinc/25/48/53/953254853.db2.gz XXRCVFNKISRPRB-DTZQCDIJSA-N 0 3 384.440 0.660 20 0 GCADHN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571242250 953254857 /nfs/dbraw/zinc/25/48/57/953254857.db2.gz XXRCVFNKISRPRB-DTZQCDIJSA-N 0 3 384.440 0.660 20 0 GCADHN CCn1nnc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571246053 953279330 /nfs/dbraw/zinc/27/93/30/953279330.db2.gz RKATVTHBZPWQDR-AULYBMBSSA-N 0 3 384.448 0.413 20 0 GCADHN CCn1nncc1C[NH2+]C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571245984 953279438 /nfs/dbraw/zinc/27/94/38/953279438.db2.gz PWRRDZNDUMWXLC-LBPRGKRZSA-N 0 3 384.448 0.448 20 0 GCADHN O=C(N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571248529 953294651 /nfs/dbraw/zinc/29/46/51/953294651.db2.gz FSLOKLBIKLSRCG-CYBMUJFWSA-N 0 3 384.444 0.154 20 0 GCADHN O=C(N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571248529 953294653 /nfs/dbraw/zinc/29/46/53/953294653.db2.gz FSLOKLBIKLSRCG-CYBMUJFWSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571253866 953334974 /nfs/dbraw/zinc/33/49/74/953334974.db2.gz AAAWBSZOGLKMKJ-IINYFYTJSA-N 0 3 385.407 0.385 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCO[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001571255792 953355348 /nfs/dbraw/zinc/35/53/48/953355348.db2.gz TYXXVIBYXJCOJV-HNNXBMFYSA-N 0 3 385.403 0.965 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCO[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001571255792 953355355 /nfs/dbraw/zinc/35/53/55/953355355.db2.gz TYXXVIBYXJCOJV-HNNXBMFYSA-N 0 3 385.403 0.965 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CN1C(=O)c1cnn(C)n1 ZINC001571255856 953357928 /nfs/dbraw/zinc/35/79/28/953357928.db2.gz VETSZFDRKUBDNE-JQWIXIFHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CN1C(=O)c1cnn(C)n1 ZINC001571255856 953357936 /nfs/dbraw/zinc/35/79/36/953357936.db2.gz VETSZFDRKUBDNE-JQWIXIFHSA-N 0 3 385.407 0.527 20 0 GCADHN C[NH+]1CCC(N2CCC(NC(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1 ZINC001588869902 962044476 /nfs/dbraw/zinc/04/44/76/962044476.db2.gz BANIROJNOTUGNJ-UHFFFAOYSA-N 0 3 382.505 0.726 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C3)CC2)CC1 ZINC001596407194 983975793 /nfs/dbraw/zinc/97/57/93/983975793.db2.gz APOLVPHLMIGDJT-IAGOWNOFSA-N 0 3 395.500 0.515 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1=O ZINC001596418765 984046611 /nfs/dbraw/zinc/04/66/11/984046611.db2.gz TZDTWKMELVLQQG-JKSUJKDBSA-N 0 3 394.516 0.327 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1=O ZINC001596418765 984046616 /nfs/dbraw/zinc/04/66/16/984046616.db2.gz TZDTWKMELVLQQG-JKSUJKDBSA-N 0 3 394.516 0.327 20 0 GCADHN CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCC(=O)NCC(=O)[O-])C2)ccn1 ZINC001591555450 992747678 /nfs/dbraw/zinc/74/76/78/992747678.db2.gz GKOBHOCDBGQBFQ-KRWDZBQOSA-N 0 3 378.473 0.966 20 0 GCADHN CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCC(=O)NCC(=O)[O-])C2)ccn1 ZINC001591555450 992747679 /nfs/dbraw/zinc/74/76/79/992747679.db2.gz GKOBHOCDBGQBFQ-KRWDZBQOSA-N 0 3 378.473 0.966 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C[NH2+]C2CCN(CC(=O)[O-])CC2)cc1 ZINC001599245235 998128999 /nfs/dbraw/zinc/12/89/99/998128999.db2.gz JIEPTFUSRSBSOQ-UHFFFAOYSA-N 0 3 385.486 0.250 20 0 GCADHN Cn1c2[n-]c(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)nc2c(=O)n(C)c1=O ZINC001308118047 1126163844 /nfs/dbraw/zinc/16/38/44/1126163844.db2.gz QAMMXPYSRNYLSG-SFHVURJKSA-N 0 3 391.859 0.697 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)N(CCOC)CCN(C)C)s1 ZINC000264276756 530155430 /nfs/dbraw/zinc/15/54/30/530155430.db2.gz QPJKOVDLHCQORT-UHFFFAOYSA-N 0 3 378.520 0.376 20 0 GCADHN CN(C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)C1CCN(C)CC1 ZINC000044821067 530118547 /nfs/dbraw/zinc/11/85/47/530118547.db2.gz NPZVXBMCECVIOA-UHFFFAOYSA-N 0 3 387.527 0.935 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000408464220 530122137 /nfs/dbraw/zinc/12/21/37/530122137.db2.gz FZBYRVPWVQXGMY-UONOGXRCSA-N 0 3 375.539 0.335 20 0 GCADHN Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000642712774 530156836 /nfs/dbraw/zinc/15/68/36/530156836.db2.gz GCXXINVGABTCHZ-AWEZNQCLSA-N 0 3 397.317 0.783 20 0 GCADHN N[C@@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1 ZINC000261660562 530129005 /nfs/dbraw/zinc/12/90/05/530129005.db2.gz FPZWTXZZGLQDFA-CQSZACIVSA-N 0 3 375.878 0.488 20 0 GCADHN COCCNCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000262099751 530131666 /nfs/dbraw/zinc/13/16/66/530131666.db2.gz IQBTXRMJQBPUBK-CQSZACIVSA-N 0 3 389.543 0.809 20 0 GCADHN CS(=O)(=O)C1(C(=O)N2CCN(CCc3cccs3)CC2)CCNCC1 ZINC000262354222 530133852 /nfs/dbraw/zinc/13/38/52/530133852.db2.gz JMLUSOJOZNTFDL-UHFFFAOYSA-N 0 3 385.555 0.602 20 0 GCADHN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000413640229 530135771 /nfs/dbraw/zinc/13/57/71/530135771.db2.gz MBCAQDOEJLVIJH-MRXNPFEDSA-N 0 3 389.905 0.999 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000647825194 530135991 /nfs/dbraw/zinc/13/59/91/530135991.db2.gz LRAWZQBCAHWBSL-ZDUSSCGKSA-N 0 3 386.543 0.121 20 0 GCADHN CC1(C)CNCCN1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000647851051 530138229 /nfs/dbraw/zinc/13/82/29/530138229.db2.gz JIWSDDUXKICUNY-AWEZNQCLSA-N 0 3 385.555 0.948 20 0 GCADHN CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)c1ccc(Br)cn1 ZINC000414207031 530141199 /nfs/dbraw/zinc/14/11/99/530141199.db2.gz JHQFNJQCMDVGII-SSDOTTSWSA-N 0 3 376.232 0.995 20 0 GCADHN CN1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 ZINC000263693334 530143730 /nfs/dbraw/zinc/14/37/30/530143730.db2.gz HASVJZOTTZWZQF-UHFFFAOYSA-N 0 3 376.276 0.921 20 0 GCADHN COCCN(C)CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000263816265 530147384 /nfs/dbraw/zinc/14/73/84/530147384.db2.gz YMAOPOSHUSEKNB-UHFFFAOYSA-N 0 3 392.909 0.496 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CCN1C ZINC000533562755 530147356 /nfs/dbraw/zinc/14/73/56/530147356.db2.gz NUYLBWQTLPYNMP-AGIUHOORSA-N 0 3 375.516 0.665 20 0 GCADHN CC(C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000264051216 530150907 /nfs/dbraw/zinc/15/09/07/530150907.db2.gz YHATWMJSGWGGTM-LBPRGKRZSA-N 0 3 387.889 0.538 20 0 GCADHN CC(C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)S(C)(=O)=O ZINC000264126660 530151973 /nfs/dbraw/zinc/15/19/73/530151973.db2.gz DREYQMJTNXLDFQ-AAEUAGOBSA-N 0 3 392.474 0.528 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2([NH3+])CCC2)c(OC)c1 ZINC000565596520 530187958 /nfs/dbraw/zinc/18/79/58/530187958.db2.gz JOVYYBILQDEIRI-UHFFFAOYSA-N 0 3 377.488 0.617 20 0 GCADHN CN(C)CCSCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000533806746 530189326 /nfs/dbraw/zinc/18/93/26/530189326.db2.gz NPZGAMKXAHBYMA-UHFFFAOYSA-N 0 3 389.518 0.953 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000557199017 530193598 /nfs/dbraw/zinc/19/35/98/530193598.db2.gz KMACRZSTVNEJOD-MFKMUULPSA-N 0 3 390.868 0.761 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN(CCO)CCO)c1 ZINC000266168296 530196409 /nfs/dbraw/zinc/19/64/09/530196409.db2.gz VHWVBIONCRZQJQ-UHFFFAOYSA-N 0 3 393.893 0.206 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(NCCN(C)C2CC2)c(S(N)(=O)=O)c1 ZINC000557537327 530197082 /nfs/dbraw/zinc/19/70/82/530197082.db2.gz BOCZPWHALFDZLY-UHFFFAOYSA-N 0 3 376.504 0.090 20 0 GCADHN CCC[C@@H](C(=O)NCC1(N2CCC(OC)CC2)CCCC1)S(N)(=O)=O ZINC000668437764 530198160 /nfs/dbraw/zinc/19/81/60/530198160.db2.gz PTUZKBNAHXLAFK-HNNXBMFYSA-N 0 3 375.535 0.983 20 0 GCADHN CCCN(CC)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000267027046 530207312 /nfs/dbraw/zinc/20/73/12/530207312.db2.gz KTXUDTQRVYLMSD-UHFFFAOYSA-N 0 3 377.532 0.947 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000266247889 530198781 /nfs/dbraw/zinc/19/87/81/530198781.db2.gz XGOPBFUXSIRJTD-WFASDCNBSA-N 0 3 375.516 0.555 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCCN(C)C2)cc1C ZINC000625425193 530199599 /nfs/dbraw/zinc/19/95/99/530199599.db2.gz MOIQQQDROJZVMT-CQSZACIVSA-N 0 3 389.543 0.913 20 0 GCADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000266333104 530200239 /nfs/dbraw/zinc/20/02/39/530200239.db2.gz TWEANPGVKAEQGH-CYBMUJFWSA-N 0 3 375.516 0.700 20 0 GCADHN CN(C)[C@]1(CNC(=O)CCNS(=O)(=O)c2cccs2)CCSC1 ZINC000267077518 530207664 /nfs/dbraw/zinc/20/76/64/530207664.db2.gz FUJUOWMRVZENIW-AWEZNQCLSA-N 0 3 377.557 0.970 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C[C@@H](C)S1(=O)=O ZINC000558032576 530204488 /nfs/dbraw/zinc/20/44/88/530204488.db2.gz UPANPWHPKGVEAU-JHJVBQTASA-N 0 3 381.516 0.393 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C[C@H](C)S1(=O)=O ZINC000558032580 530204493 /nfs/dbraw/zinc/20/44/93/530204493.db2.gz UPANPWHPKGVEAU-RWMBFGLXSA-N 0 3 381.516 0.393 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584183789 530205556 /nfs/dbraw/zinc/20/55/56/530205556.db2.gz VOUMADBOZUESDM-STQMWFEESA-N 0 3 381.274 0.940 20 0 GCADHN C[N@@H+]1CC[C@H](CNC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000264669796 530164053 /nfs/dbraw/zinc/16/40/53/530164053.db2.gz LKMZOMPVAUDYRR-SECBINFHSA-N 0 3 396.332 0.857 20 0 GCADHN C[N@H+]1CC[C@H](CNC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000264669796 530164056 /nfs/dbraw/zinc/16/40/56/530164056.db2.gz LKMZOMPVAUDYRR-SECBINFHSA-N 0 3 396.332 0.857 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1 ZINC000264749958 530166145 /nfs/dbraw/zinc/16/61/45/530166145.db2.gz MMBQDAYAXPRXNF-UHFFFAOYSA-N 0 3 389.543 0.899 20 0 GCADHN CN(C)[C@]1(CNC(=O)NCCS(=O)(=O)N2CCSCC2)CCSC1 ZINC000530889542 530166701 /nfs/dbraw/zinc/16/67/01/530166701.db2.gz OTNNHEDWJKPILR-AWEZNQCLSA-N 0 3 396.604 0.102 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584183786 530205767 /nfs/dbraw/zinc/20/57/67/530205767.db2.gz VOUMADBOZUESDM-CHWSQXEVSA-N 0 3 381.274 0.940 20 0 GCADHN C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000647033863 530167327 /nfs/dbraw/zinc/16/73/27/530167327.db2.gz FTVPZHWDJSBYFU-QWRGUYRKSA-N 0 3 379.404 0.792 20 0 GCADHN COC[C@]1(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCC[NH2+]1 ZINC000647042494 530167389 /nfs/dbraw/zinc/16/73/89/530167389.db2.gz LSHDKHAAODAORL-CYBMUJFWSA-N 0 3 381.907 0.565 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000584057153 530171661 /nfs/dbraw/zinc/17/16/61/530171661.db2.gz SNOOSMOVSGFXFL-CZUORRHYSA-N 0 3 388.559 0.985 20 0 GCADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000643618622 530173665 /nfs/dbraw/zinc/17/36/65/530173665.db2.gz WGMRMMGKWLGQCO-QWHCGFSZSA-N 0 3 388.287 0.629 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)s1 ZINC000265025886 530174709 /nfs/dbraw/zinc/17/47/09/530174709.db2.gz DSATXRPYPHLSKR-UHFFFAOYSA-N 0 3 375.516 0.773 20 0 GCADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000643620292 530174953 /nfs/dbraw/zinc/17/49/53/530174953.db2.gz USPVYHRVGGYMTG-DTWKUNHWSA-N 0 3 394.316 0.691 20 0 GCADHN CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000607253940 530175509 /nfs/dbraw/zinc/17/55/09/530175509.db2.gz XNWGLCJNPXOLCB-BZUAXINKSA-N 0 3 375.535 0.734 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000517915593 530222867 /nfs/dbraw/zinc/22/28/67/530222867.db2.gz PUVSUEBVHVZKRO-AWEZNQCLSA-N 0 3 387.527 0.935 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000588754827 530225828 /nfs/dbraw/zinc/22/58/28/530225828.db2.gz STORXVMBLMVPSN-NSHDSACASA-N 0 3 383.499 0.557 20 0 GCADHN CN(CC(=O)NC(=O)NCc1cccs1)C1CCN(S(C)(=O)=O)CC1 ZINC000268366040 530226125 /nfs/dbraw/zinc/22/61/25/530226125.db2.gz IRUIISAKTXZCML-UHFFFAOYSA-N 0 3 388.515 0.430 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)COc1ccc(I)cc1 ZINC000588864667 530226426 /nfs/dbraw/zinc/22/64/26/530226426.db2.gz MWEYOIHPFWEEKD-LLVKDONJSA-N 0 3 378.210 0.709 20 0 GCADHN COC(=O)C(C)(C)CS(=O)(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000588896015 530226829 /nfs/dbraw/zinc/22/68/29/530226829.db2.gz HVTMZVWCTDGFAO-GJZGRUSLSA-N 0 3 376.519 0.873 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000518330312 530227553 /nfs/dbraw/zinc/22/75/53/530227553.db2.gz DVBCZFFNWIGUJC-CMPLNLGQSA-N 0 3 394.540 0.790 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000268440613 530227638 /nfs/dbraw/zinc/22/76/38/530227638.db2.gz GBXIVWIEPKRMDV-ZDUSSCGKSA-N 0 3 389.543 0.766 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000518330314 530227671 /nfs/dbraw/zinc/22/76/71/530227671.db2.gz DVBCZFFNWIGUJC-PWSUYJOCSA-N 0 3 394.540 0.790 20 0 GCADHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268633188 530230541 /nfs/dbraw/zinc/23/05/41/530230541.db2.gz PJYNUBYWNBQKLJ-HNNXBMFYSA-N 0 3 389.543 0.568 20 0 GCADHN CCN(CCCN[C@H](C)c1cccc(S(=O)(=O)NC)c1)S(C)(=O)=O ZINC000268768742 530232327 /nfs/dbraw/zinc/23/23/27/530232327.db2.gz CYQHFVKEVFUDMT-CYBMUJFWSA-N 0 3 377.532 0.917 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)NC[C@@]1(O)CN2CCC1CC2 ZINC000569391329 530233902 /nfs/dbraw/zinc/23/39/02/530233902.db2.gz ZKQHTODUIDHJHK-OAHLLOKOSA-N 0 3 386.246 0.345 20 0 GCADHN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000269070310 530234723 /nfs/dbraw/zinc/23/47/23/530234723.db2.gz ZVUXKGWMMHCLKK-GXTWGEPZSA-N 0 3 375.516 0.669 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000269150735 530235606 /nfs/dbraw/zinc/23/56/06/530235606.db2.gz RSCFCCHJTSTHBR-BBRMVZONSA-N 0 3 387.527 0.700 20 0 GCADHN O=C(CNC[C@H]1CCCO1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000269216953 530236430 /nfs/dbraw/zinc/23/64/30/530236430.db2.gz FXECAFLDAXLIFI-CQSZACIVSA-N 0 3 387.527 0.786 20 0 GCADHN CN(CC(=O)NCC1(O)CCN(C)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000531097437 530251940 /nfs/dbraw/zinc/25/19/40/530251940.db2.gz RYKHDEBEVJDSNX-UHFFFAOYSA-N 0 3 395.934 0.595 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)CCSC1 ZINC000426963576 530240052 /nfs/dbraw/zinc/24/00/52/530240052.db2.gz MICNGPHWGHDHHS-AWEZNQCLSA-N 0 3 377.417 0.514 20 0 GCADHN COCCCN(C)CCNC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000269387130 530240068 /nfs/dbraw/zinc/24/00/68/530240068.db2.gz ZVMYDTOFZAQXIX-UHFFFAOYSA-N 0 3 392.547 0.636 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)CCSC1 ZINC000426963577 530240261 /nfs/dbraw/zinc/24/02/61/530240261.db2.gz MICNGPHWGHDHHS-CQSZACIVSA-N 0 3 377.417 0.514 20 0 GCADHN COCCN(C)CCNC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000269385099 530240321 /nfs/dbraw/zinc/24/03/21/530240321.db2.gz ZKKBUSYODNPXDY-UHFFFAOYSA-N 0 3 392.547 0.521 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000269447278 530241140 /nfs/dbraw/zinc/24/11/40/530241140.db2.gz UFTWENNGNKPLKP-ZIAGYGMSSA-N 0 3 389.543 0.768 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000269447278 530241142 /nfs/dbraw/zinc/24/11/42/530241142.db2.gz UFTWENNGNKPLKP-ZIAGYGMSSA-N 0 3 389.543 0.768 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000269586998 530243680 /nfs/dbraw/zinc/24/36/80/530243680.db2.gz LYRASUCKHAQHRN-GFCCVEGCSA-N 0 3 389.905 0.825 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccs1)[C@@H]1CCCN1C1CCOCC1 ZINC000269675898 530245152 /nfs/dbraw/zinc/24/51/52/530245152.db2.gz NHAARVPESLRMCL-AWEZNQCLSA-N 0 3 387.527 0.786 20 0 GCADHN CN(C)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ncc1Br ZINC000584302771 530247997 /nfs/dbraw/zinc/24/79/97/530247997.db2.gz NNWSNKCWCQGSPR-KOLCDFICSA-N 0 3 397.277 0.686 20 0 GCADHN CCN1CCC(NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000269801311 530250077 /nfs/dbraw/zinc/25/00/77/530250077.db2.gz RJRMZTLRWISHNI-CYBMUJFWSA-N 0 3 375.516 0.666 20 0 GCADHN C[NH+](C)[C@@]1(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCSC1 ZINC000267165746 530209437 /nfs/dbraw/zinc/20/94/37/530209437.db2.gz ZTSPULYCWPIKKH-CYBMUJFWSA-N 0 3 391.291 0.265 20 0 GCADHN CN(C)[C@]1(CNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCSC1 ZINC000267211435 530210253 /nfs/dbraw/zinc/21/02/53/530210253.db2.gz SIKCPARUBYTJMP-INIZCTEOSA-N 0 3 386.543 0.613 20 0 GCADHN CC(C(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1)S(C)(=O)=O ZINC000267760594 530216645 /nfs/dbraw/zinc/21/66/45/530216645.db2.gz DVXHIHYYOFLIBJ-YPMHNXCESA-N 0 3 377.459 0.775 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000268012765 530219381 /nfs/dbraw/zinc/21/93/81/530219381.db2.gz VATGNAOMEOIDOD-ZDUSSCGKSA-N 0 3 377.532 0.890 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268019202 530219719 /nfs/dbraw/zinc/21/97/19/530219719.db2.gz SLBZXOZGJLJQOW-UHFFFAOYSA-N 0 3 375.491 0.514 20 0 GCADHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000271479766 530272570 /nfs/dbraw/zinc/27/25/70/530272570.db2.gz IVMXKYPZZJQFHD-STQMWFEESA-N 0 3 375.516 0.527 20 0 GCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000271479759 530272724 /nfs/dbraw/zinc/27/27/24/530272724.db2.gz IVMXKYPZZJQFHD-OLZOCXBDSA-N 0 3 375.516 0.527 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000561198606 530274194 /nfs/dbraw/zinc/27/41/94/530274194.db2.gz ZCQPRTGVMATYRX-PHIMTYICSA-N 0 3 390.868 0.618 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nc1Cl ZINC000124904422 530276753 /nfs/dbraw/zinc/27/67/53/530276753.db2.gz KCOZBJLNCRBSRU-NSHDSACASA-N 0 3 375.882 0.001 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)N(C)C1CC1 ZINC000124984603 530277071 /nfs/dbraw/zinc/27/70/71/530277071.db2.gz JOKXIMMPZAFEGV-VIFPVBQESA-N 0 3 385.262 0.685 20 0 GCADHN CS[C@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C[C@H]1N(C)C ZINC000272028349 530277945 /nfs/dbraw/zinc/27/79/45/530277945.db2.gz MNNVDPGGVCAFFX-CABCVRRESA-N 0 3 386.543 0.558 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561553556 530280443 /nfs/dbraw/zinc/28/04/43/530280443.db2.gz VHHFGMCKUMJENX-VXGBXAGGSA-N 0 3 388.456 0.982 20 0 GCADHN CC(C)CSCCCn1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000600968133 530294473 /nfs/dbraw/zinc/29/44/73/530294473.db2.gz NJBQSKHHZYCVHN-UHFFFAOYSA-N 0 3 376.552 0.297 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)[C@H](C)CN1 ZINC000272497642 530281347 /nfs/dbraw/zinc/28/13/47/530281347.db2.gz DFOUWNZFBLTSMC-RNFRBKRXSA-N 0 3 382.305 0.980 20 0 GCADHN C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)[C@@H](C)CN1 ZINC000272497637 530281433 /nfs/dbraw/zinc/28/14/33/530281433.db2.gz DFOUWNZFBLTSMC-BQBZGAKWSA-N 0 3 382.305 0.980 20 0 GCADHN C[C@@H]1CN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)[C@@H](C)CN1 ZINC000272634696 530281638 /nfs/dbraw/zinc/28/16/38/530281638.db2.gz WSHXIEJRARBACF-OLZOCXBDSA-N 0 3 387.527 0.655 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000272634697 530281745 /nfs/dbraw/zinc/28/17/45/530281745.db2.gz WSHXIEJRARBACF-QWHCGFSZSA-N 0 3 387.527 0.655 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CCSC1 ZINC000531128491 530282082 /nfs/dbraw/zinc/28/20/82/530282082.db2.gz RFCHBJYWIGZUCI-SJORKVTESA-N 0 3 388.603 0.931 20 0 GCADHN CN(C1CNC1)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000647299453 530283594 /nfs/dbraw/zinc/28/35/94/530283594.db2.gz JJWKHNAVNARYNR-UHFFFAOYSA-N 0 3 376.232 0.372 20 0 GCADHN CCNC(=O)NC(=O)[C@H](C)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000561788387 530284153 /nfs/dbraw/zinc/28/41/53/530284153.db2.gz YHHYHYDCRKLXEX-OLZOCXBDSA-N 0 3 376.523 0.603 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cnn(C)c1Br ZINC000273198965 530286486 /nfs/dbraw/zinc/28/64/86/530286486.db2.gz JLZVHMZKPIIMMT-LBPRGKRZSA-N 0 3 386.294 0.855 20 0 GCADHN NC(=O)[C@H](Cc1ccccc1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000273485648 530288614 /nfs/dbraw/zinc/28/86/14/530288614.db2.gz MFPXNRXMDJZPTK-AWEZNQCLSA-N 0 3 375.441 0.937 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131325924 530288890 /nfs/dbraw/zinc/28/88/90/530288890.db2.gz BNQOYKNNLQXHBS-LBPRGKRZSA-N 0 3 399.289 0.776 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C)c(C(=O)OC)s1 ZINC000269866014 530252629 /nfs/dbraw/zinc/25/26/29/530252629.db2.gz SUOXDSZUHLGSQI-VIFPVBQESA-N 0 3 378.472 0.940 20 0 GCADHN CCN(CC)CCN(CCOC)S(=O)(=O)c1scnc1C(=O)OC ZINC000274094798 530293156 /nfs/dbraw/zinc/29/31/56/530293156.db2.gz AMMDAAQZLDZXNT-UHFFFAOYSA-N 0 3 379.504 0.909 20 0 GCADHN CN(C(=O)CS[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370832144 530252800 /nfs/dbraw/zinc/25/28/00/530252800.db2.gz XMMCNIALGLMRTI-JKSUJKDBSA-N 0 3 389.587 0.534 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000107302036 530252896 /nfs/dbraw/zinc/25/28/96/530252896.db2.gz KBZRFZUGFJEXND-ZDUSSCGKSA-N 0 3 388.921 0.851 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000269874602 530253155 /nfs/dbraw/zinc/25/31/55/530253155.db2.gz GTHHDJWHKDKRMZ-OAHLLOKOSA-N 0 3 375.516 0.575 20 0 GCADHN CN(C(=O)CS[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370832142 530253182 /nfs/dbraw/zinc/25/31/82/530253182.db2.gz XMMCNIALGLMRTI-HOTGVXAUSA-N 0 3 389.587 0.534 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)cc1Br ZINC000269955431 530255189 /nfs/dbraw/zinc/25/51/89/530255189.db2.gz WOAZORYMOQGLEP-HNNXBMFYSA-N 0 3 388.262 0.825 20 0 GCADHN CCN1CCC(CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000562468080 530293315 /nfs/dbraw/zinc/29/33/15/530293315.db2.gz SVUBWQNPVJRHPK-UHFFFAOYSA-N 0 3 389.543 0.947 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000274140043 530293306 /nfs/dbraw/zinc/29/33/06/530293306.db2.gz DESDALCXAHRLRE-JSGCOSHPSA-N 0 3 389.495 0.864 20 0 GCADHN CCc1[nH]nc(C(=O)N(CCO)CCN2CCOCC2)c1Br ZINC000469209583 530257085 /nfs/dbraw/zinc/25/70/85/530257085.db2.gz KIXDBFQESUUQLM-UHFFFAOYSA-N 0 3 375.267 0.501 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110018462 530257098 /nfs/dbraw/zinc/25/70/98/530257098.db2.gz TUHMMAQWBGGMQA-CQSZACIVSA-N 0 3 388.559 0.511 20 0 GCADHN Cn1ncc(I)c1C(=O)NCCCN1CCC(O)CC1 ZINC000559908646 530257902 /nfs/dbraw/zinc/25/79/02/530257902.db2.gz LOJROGJWBBPVMS-UHFFFAOYSA-N 0 3 392.241 0.601 20 0 GCADHN CC(C(=O)N(C)C)S(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000048721949 530259711 /nfs/dbraw/zinc/25/97/11/530259711.db2.gz DJIAHASGBGXSGU-NSHDSACASA-N 0 3 378.472 0.456 20 0 GCADHN CC(C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000560079114 530260254 /nfs/dbraw/zinc/26/02/54/530260254.db2.gz VFBMEKOVTRAQDL-JSGCOSHPSA-N 0 3 389.495 0.689 20 0 GCADHN CN(C)S(=O)(=O)NCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000668627664 530263174 /nfs/dbraw/zinc/26/31/74/530263174.db2.gz URIOLCBADWCRHF-UHFFFAOYSA-N 0 3 378.564 0.250 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000270868132 530264920 /nfs/dbraw/zinc/26/49/20/530264920.db2.gz BBRMNFMVJWEKFJ-UHFFFAOYSA-N 0 3 387.527 0.778 20 0 GCADHN C[C@@H]1CSC[C@@H]1NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000560492421 530266119 /nfs/dbraw/zinc/26/61/19/530266119.db2.gz WTZGLHSEIXCHHN-TUVASFSCSA-N 0 3 376.544 0.522 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000270952684 530266312 /nfs/dbraw/zinc/26/63/12/530266312.db2.gz VTPAIXXGKPYBLR-NSHDSACASA-N 0 3 387.889 0.967 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cn1 ZINC000271037906 530267145 /nfs/dbraw/zinc/26/71/45/530267145.db2.gz PYAPNUKQKOPBAD-UHFFFAOYSA-N 0 3 384.527 0.820 20 0 GCADHN COCCNCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000271062744 530267151 /nfs/dbraw/zinc/26/71/51/530267151.db2.gz CJVAYBDBTJOAHU-UHFFFAOYSA-N 0 3 380.264 0.062 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000566336766 530267251 /nfs/dbraw/zinc/26/72/51/530267251.db2.gz JJWHLUNNULXFQB-ZNMIVQPWSA-N 0 3 381.564 0.593 20 0 GCADHN CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)C[C@@H]1N(C)C ZINC000271137069 530268128 /nfs/dbraw/zinc/26/81/28/530268128.db2.gz OGXYAJPSTUZKJN-AAEUAGOBSA-N 0 3 375.516 0.956 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)C[C@H]1N(C)C ZINC000271137070 530268345 /nfs/dbraw/zinc/26/83/45/530268345.db2.gz OGXYAJPSTUZKJN-DGCLKSJQSA-N 0 3 375.516 0.956 20 0 GCADHN CC(C(=O)NCCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000120082316 530268916 /nfs/dbraw/zinc/26/89/16/530268916.db2.gz DKNDQWLGBDJCND-VIFPVBQESA-N 0 3 377.260 0.728 20 0 GCADHN COCCN(CCN(C)C)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000120242784 530269298 /nfs/dbraw/zinc/26/92/98/530269298.db2.gz NIBWUYOMKAKLHW-UHFFFAOYSA-N 0 3 376.251 0.809 20 0 GCADHN NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1 ZINC000525697144 530295379 /nfs/dbraw/zinc/29/53/79/530295379.db2.gz UIISMGZLDBFOPC-AWEZNQCLSA-N 0 3 387.527 0.831 20 0 GCADHN CN1CCN(C(=O)Nc2ccncc2I)[C@H](CN)C1 ZINC000562756416 530295498 /nfs/dbraw/zinc/29/54/98/530295498.db2.gz UQMDMVZDLYKTFM-SECBINFHSA-N 0 3 375.214 0.215 20 0 GCADHN [NH3+]C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 ZINC000562841148 530296129 /nfs/dbraw/zinc/29/61/29/530296129.db2.gz NEYUBUOHDRWJDJ-ZIAGYGMSSA-N 0 3 387.527 0.877 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000140416793 530297514 /nfs/dbraw/zinc/29/75/14/530297514.db2.gz NSSAPLWITNMQNP-CQSZACIVSA-N 0 3 376.523 0.068 20 0 GCADHN Cn1cc([C@@H]2CN(S(=O)(=O)c3ncccc3C(F)(F)F)C[C@H]2N)cn1 ZINC000647335565 530297728 /nfs/dbraw/zinc/29/77/28/530297728.db2.gz QJAQJMBJOUMEDZ-CMPLNLGQSA-N 0 3 375.376 0.949 20 0 GCADHN Cc1ccc(Br)cc1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000569678178 530304032 /nfs/dbraw/zinc/30/40/32/530304032.db2.gz ZORTUOBYXXYLJI-CQSZACIVSA-N 0 3 383.290 0.475 20 0 GCADHN CC(C)CN1CCC[C@H](CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000448162959 530305985 /nfs/dbraw/zinc/30/59/85/530305985.db2.gz AKXLINVJPSPBAV-CQSZACIVSA-N 0 3 389.543 0.980 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)cn1 ZINC000275115529 530306603 /nfs/dbraw/zinc/30/66/03/530306603.db2.gz MDPHAHHUMFXNOP-ZIAGYGMSSA-N 0 3 384.527 0.642 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)cn1 ZINC000275115526 530306715 /nfs/dbraw/zinc/30/67/15/530306715.db2.gz MDPHAHHUMFXNOP-UONOGXRCSA-N 0 3 384.527 0.642 20 0 GCADHN CN(CC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)CC(C)(C)C ZINC000635780160 530307096 /nfs/dbraw/zinc/30/70/96/530307096.db2.gz PRCVXQBUGCNFHD-HNNXBMFYSA-N 0 3 375.535 0.617 20 0 GCADHN CN1CCN(CCNC(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1(C)C ZINC000635896969 530307752 /nfs/dbraw/zinc/30/77/52/530307752.db2.gz YSMHDJWEAMQVDS-NWDGAFQWSA-N 0 3 385.452 0.352 20 0 GCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000632367977 530312400 /nfs/dbraw/zinc/31/24/00/530312400.db2.gz AKNQFWRFGPFBLS-BLLLJJGKSA-N 0 3 387.527 0.840 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000275581588 530313125 /nfs/dbraw/zinc/31/31/25/530313125.db2.gz QHTQQDMQHUTMKN-KBPBESRZSA-N 0 3 387.527 0.842 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000569988996 530313714 /nfs/dbraw/zinc/31/37/14/530313714.db2.gz SVUMDBYNJGIOJV-NWDGAFQWSA-N 0 3 381.230 0.158 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc([N-]S(=O)(=O)CCc2cccs2)cn1 ZINC000570134720 530315719 /nfs/dbraw/zinc/31/57/19/530315719.db2.gz CQIQNMPRWJDPTA-UHFFFAOYSA-N 0 3 385.515 0.607 20 0 GCADHN CC(C)[C@H](O)CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000570162421 530316166 /nfs/dbraw/zinc/31/61/66/530316166.db2.gz LQSVTKGJBIGTSR-CQSZACIVSA-N 0 3 392.543 0.707 20 0 GCADHN O=C(C[C@H]1CSCCN1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000570443694 530319778 /nfs/dbraw/zinc/31/97/78/530319778.db2.gz QBRAPTKAMDDQME-LSDHHAIUSA-N 0 3 375.560 0.935 20 0 GCADHN COCCOCCOCCN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000276131920 530320197 /nfs/dbraw/zinc/32/01/97/530320197.db2.gz CVLHMHWLQQGISS-UHFFFAOYSA-N 0 3 376.475 0.324 20 0 GCADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CCN1 ZINC000155248662 530320545 /nfs/dbraw/zinc/32/05/45/530320545.db2.gz RKLRBTHUFBNMGO-MRVPVSSYSA-N 0 3 382.305 0.609 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)Cc3cccc(I)c3)CCN2C1=O ZINC000570698368 530323587 /nfs/dbraw/zinc/32/35/87/530323587.db2.gz FVZUOMCRJDLISA-STQMWFEESA-N 0 3 399.232 0.604 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCC(C)(C)CO ZINC000647516129 530331465 /nfs/dbraw/zinc/33/14/65/530331465.db2.gz OAUWGPMDIZLYKG-UHFFFAOYSA-N 0 3 378.516 0.319 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1C[NH2+]CCC1(F)F ZINC000644150824 530326001 /nfs/dbraw/zinc/32/60/01/530326001.db2.gz DTDZIIYUFMCRSF-JTQLQIEISA-N 0 3 383.367 0.604 20 0 GCADHN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)CN1CCCC1 ZINC000277035389 530328579 /nfs/dbraw/zinc/32/85/79/530328579.db2.gz FJBUQMQHJYUEGK-LBPRGKRZSA-N 0 3 375.516 0.881 20 0 GCADHN CN(C)[C@]1(CNC(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CCSC1 ZINC000281048135 530356449 /nfs/dbraw/zinc/35/64/49/530356449.db2.gz OMHYDLBOTYSUTD-HNNXBMFYSA-N 0 3 387.531 0.891 20 0 GCADHN CCN1CCC[C@H](CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000460492729 530357275 /nfs/dbraw/zinc/35/72/75/530357275.db2.gz QRIJXWXZEWAOKS-OAHLLOKOSA-N 0 3 389.543 0.616 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)s1 ZINC000644472763 530357559 /nfs/dbraw/zinc/35/75/59/530357559.db2.gz WVRVNFUSBAVRAU-BNOWGMLFSA-N 0 3 387.527 0.939 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)s1 ZINC000644472764 530357581 /nfs/dbraw/zinc/35/75/81/530357581.db2.gz WVRVNFUSBAVRAU-YUTCNCBUSA-N 0 3 387.527 0.939 20 0 GCADHN CN(C)CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCC1 ZINC000281609821 530361033 /nfs/dbraw/zinc/36/10/33/530361033.db2.gz SNYWQLBOLCKDHI-UHFFFAOYSA-N 0 3 387.527 0.890 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CCOCC1 ZINC000281934884 530364389 /nfs/dbraw/zinc/36/43/89/530364389.db2.gz QFBQEPIBHQYJKA-UHFFFAOYSA-N 0 3 375.878 0.828 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000580058572 530332181 /nfs/dbraw/zinc/33/21/81/530332181.db2.gz PKTFJHYKEVBLFL-ILXRZTDVSA-N 0 3 381.564 0.593 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@H](O)C1CCC1 ZINC000647537030 530333784 /nfs/dbraw/zinc/33/37/84/530333784.db2.gz DFUGIPCSOKGEFR-AWEZNQCLSA-N 0 3 390.527 0.461 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2c(C)csc2C(=O)OC)CC1 ZINC000278933986 530344972 /nfs/dbraw/zinc/34/49/72/530344972.db2.gz XTQSTXYUTAHINK-UHFFFAOYSA-N 0 3 375.516 0.759 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)S(C)(=O)=O ZINC000407993477 530345607 /nfs/dbraw/zinc/34/56/07/530345607.db2.gz OXGVLIOVZURDPX-CYBMUJFWSA-N 0 3 395.547 0.073 20 0 GCADHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000280063344 530350102 /nfs/dbraw/zinc/35/01/02/530350102.db2.gz OWOYRAIFCWCDOQ-UHFFFAOYSA-N 0 3 375.516 0.978 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000172706244 530351776 /nfs/dbraw/zinc/35/17/76/530351776.db2.gz HDMUYXOMSXLQFA-LBPRGKRZSA-N 0 3 399.289 0.634 20 0 GCADHN COCCCN(C)CCNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000173544856 530352642 /nfs/dbraw/zinc/35/26/42/530352642.db2.gz GRWMUFPNTAAYRM-UHFFFAOYSA-N 0 3 376.251 0.856 20 0 GCADHN CC[NH+](CC)C[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000173577881 530353004 /nfs/dbraw/zinc/35/30/04/530353004.db2.gz PCWMVLQWPWKIFC-LLVKDONJSA-N 0 3 387.278 0.489 20 0 GCADHN CN1CC[C@](O)(CNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623023803 530353348 /nfs/dbraw/zinc/35/33/48/530353348.db2.gz VUVWXVHRXHEZRB-AWEZNQCLSA-N 0 3 381.234 0.221 20 0 GCADHN C[C@@H](CCN(C)C)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000580305660 530353850 /nfs/dbraw/zinc/35/38/50/530353850.db2.gz OSZPQHUJZJOQKL-AWEZNQCLSA-N 0 3 391.559 0.640 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000280752145 530354416 /nfs/dbraw/zinc/35/44/16/530354416.db2.gz CTVGWICCTTXSGB-UONOGXRCSA-N 0 3 399.289 0.995 20 0 GCADHN C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000282493957 530372283 /nfs/dbraw/zinc/37/22/83/530372283.db2.gz JWNSTXZDCUHTQT-ZDUSSCGKSA-N 0 3 375.516 0.700 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000182682072 530373070 /nfs/dbraw/zinc/37/30/70/530373070.db2.gz XOSAOELWEAIBDA-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000185308836 530377257 /nfs/dbraw/zinc/37/72/57/530377257.db2.gz WVPPDTVKMFYEGR-AWEZNQCLSA-N 0 3 388.559 0.559 20 0 GCADHN C[NH+](C)CC1(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCCC1 ZINC000185865415 530378082 /nfs/dbraw/zinc/37/80/82/530378082.db2.gz SHMJXLISLKWJGQ-UHFFFAOYSA-N 0 3 387.278 0.537 20 0 GCADHN CS(=O)(=O)N(CC(F)(F)F)C1CCN(CCCC(=O)NC(N)=O)CC1 ZINC000497363744 530382203 /nfs/dbraw/zinc/38/22/03/530382203.db2.gz HOUNLEOJPDLZTM-UHFFFAOYSA-N 0 3 388.412 0.250 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](C)C[NH2+]C)s1 ZINC000497365284 530382624 /nfs/dbraw/zinc/38/26/24/530382624.db2.gz MQFHXELXZOSYLN-NSHDSACASA-N 0 3 383.561 0.364 20 0 GCADHN COc1ccc(CN(C(=O)C(C)S(C)(=O)=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000497560261 530385553 /nfs/dbraw/zinc/38/55/53/530385553.db2.gz QDLRYLRSZXZQQW-OCCSQVGLSA-N 0 3 389.495 0.644 20 0 GCADHN CS(=O)(=O)NCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285003378 530388671 /nfs/dbraw/zinc/38/86/71/530388671.db2.gz AZOSWSOTYHUDOM-AWEZNQCLSA-N 0 3 375.441 0.809 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1 ZINC000285459907 530394213 /nfs/dbraw/zinc/39/42/13/530394213.db2.gz ZFCMBJLODMSKBE-KGLIPLIRSA-N 0 3 387.527 0.842 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CCCN2CC(F)F)CCSC1 ZINC000636556625 530395632 /nfs/dbraw/zinc/39/56/32/530395632.db2.gz BIWKFTQLMNEPJI-MLGOLLRUSA-N 0 3 378.489 0.386 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000285705455 530396185 /nfs/dbraw/zinc/39/61/85/530396185.db2.gz SQOPFONORIDAGG-PBWFPOADSA-N 0 3 387.527 0.840 20 0 GCADHN CNS(=O)(=O)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285924308 530397800 /nfs/dbraw/zinc/39/78/00/530397800.db2.gz AXQNEGSBJNYSJC-AWEZNQCLSA-N 0 3 375.441 0.809 20 0 GCADHN CCN(CC)CCN(CCOC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000591398159 530408390 /nfs/dbraw/zinc/40/83/90/530408390.db2.gz LVGAWXHFMMQTPE-UHFFFAOYSA-N 0 3 393.531 0.313 20 0 GCADHN CN(CCN1CCCC1)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000590739361 530400546 /nfs/dbraw/zinc/40/05/46/530400546.db2.gz ONBGJXMYCPPDFS-UHFFFAOYSA-N 0 3 386.543 0.920 20 0 GCADHN O=C(NCC1(N2CCSCC2)CCCC1)N(CCO)CCOCCO ZINC000636587896 530402104 /nfs/dbraw/zinc/40/21/04/530402104.db2.gz OSSCICZWGBGNBH-UHFFFAOYSA-N 0 3 375.535 0.361 20 0 GCADHN COCCCN(C)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000364785115 530402155 /nfs/dbraw/zinc/40/21/55/530402155.db2.gz HCGXRVAWKSDJTI-CQSZACIVSA-N 0 3 389.543 0.986 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1 ZINC000286831982 530404060 /nfs/dbraw/zinc/40/40/60/530404060.db2.gz VZWGCPZXISKZDF-CJNGLKHVSA-N 0 3 387.527 0.842 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1 ZINC000286831984 530404284 /nfs/dbraw/zinc/40/42/84/530404284.db2.gz VZWGCPZXISKZDF-CZUORRHYSA-N 0 3 387.527 0.842 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000364931752 530404381 /nfs/dbraw/zinc/40/43/81/530404381.db2.gz SUFKWAHVIHTAQM-HOCLYGCPSA-N 0 3 393.575 0.546 20 0 GCADHN C[N-]S(=O)(=O)c1cc(NC(=O)NCC[N@H+](C)CCCOC)ccc1F ZINC000286983275 530405241 /nfs/dbraw/zinc/40/52/41/530405241.db2.gz CQWCIQVMBOBIQS-UHFFFAOYSA-N 0 3 376.454 0.824 20 0 GCADHN C[N-]S(=O)(=O)c1cc(NC(=O)NCC[N@@H+](C)CCCOC)ccc1F ZINC000286983275 530405242 /nfs/dbraw/zinc/40/52/42/530405242.db2.gz CQWCIQVMBOBIQS-UHFFFAOYSA-N 0 3 376.454 0.824 20 0 GCADHN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000287063491 530405909 /nfs/dbraw/zinc/40/59/09/530405909.db2.gz JUIPDYUETBWDKN-PWSUYJOCSA-N 0 3 385.262 0.797 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000591286125 530407459 /nfs/dbraw/zinc/40/74/59/530407459.db2.gz QNSLELDOMOTHTQ-KGLIPLIRSA-N 0 3 389.543 0.984 20 0 GCADHN C[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000591386399 530408200 /nfs/dbraw/zinc/40/82/00/530408200.db2.gz AIWHRIROADRKLS-ZDUSSCGKSA-N 0 3 375.516 0.877 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000592057637 530413881 /nfs/dbraw/zinc/41/38/81/530413881.db2.gz GZDWKYIIWFUODY-OPRDCNLKSA-N 0 3 375.365 0.941 20 0 GCADHN CNC(=O)c1cccc(NC(=O)C(=O)NCCN(C)C2CC2)c1Br ZINC000287642956 530410761 /nfs/dbraw/zinc/41/07/61/530410761.db2.gz NVTQMGKMOOFPRB-UHFFFAOYSA-N 0 3 397.273 0.958 20 0 GCADHN COCCN1CCC(NC(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC000592033261 530412597 /nfs/dbraw/zinc/41/25/97/530412597.db2.gz VMXWPYWVYMXVFT-UHFFFAOYSA-N 0 3 382.412 0.555 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287866472 530412716 /nfs/dbraw/zinc/41/27/16/530412716.db2.gz YXNPCNIJJKVYFF-UHFFFAOYSA-N 0 3 382.408 0.815 20 0 GCADHN CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC1C[NH2+]C1 ZINC000592540625 530417089 /nfs/dbraw/zinc/41/70/89/530417089.db2.gz CAPMYOCINUXLLU-ZDUSSCGKSA-N 0 3 375.491 0.561 20 0 GCADHN COC(=O)CC[C@@H](N)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000288507553 530418441 /nfs/dbraw/zinc/41/84/41/530418441.db2.gz BRMWGPTXBYXPTP-GFCCVEGCSA-N 0 3 386.246 0.576 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)N[C@@H](CO)CN1CCCCC1 ZINC000288559539 530418906 /nfs/dbraw/zinc/41/89/06/530418906.db2.gz QASGVYFZIDKPIS-LLVKDONJSA-N 0 3 388.262 0.735 20 0 GCADHN COC(=O)CC[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000288732285 530420619 /nfs/dbraw/zinc/42/06/19/530420619.db2.gz LNHKMUYHQAJBCY-LBPRGKRZSA-N 0 3 377.850 0.015 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000594107375 530426840 /nfs/dbraw/zinc/42/68/40/530426840.db2.gz AQWIIXPSSMMZMH-UHFFFAOYSA-N 0 3 376.523 0.211 20 0 GCADHN CO[C@@H](CN)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000289717692 530427339 /nfs/dbraw/zinc/42/73/39/530427339.db2.gz UPKXVIKTVMLFTA-NSHDSACASA-N 0 3 396.296 0.800 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)NCCS(=O)(=O)NC2CC2)CC1 ZINC000594288995 530427644 /nfs/dbraw/zinc/42/76/44/530427644.db2.gz IREGEOWXLJJTKI-UHFFFAOYSA-N 0 3 376.523 0.257 20 0 GCADHN C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N(C)C ZINC000289458712 530424994 /nfs/dbraw/zinc/42/49/94/530424994.db2.gz GGGUNJFUFHKUHY-SNVBAGLBSA-N 0 3 383.392 0.930 20 0 GCADHN C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1)N(C)C ZINC000289454881 530425031 /nfs/dbraw/zinc/42/50/31/530425031.db2.gz FXYKYTYESDRUEI-JTQLQIEISA-N 0 3 378.292 0.794 20 0 GCADHN C[C@H](CNC(=O)CNS(=O)(=O)c1cccc(Br)c1)N(C)C ZINC000289547136 530425809 /nfs/dbraw/zinc/42/58/09/530425809.db2.gz MVNWGGOINWSHDT-SNVBAGLBSA-N 0 3 378.292 0.794 20 0 GCADHN CC(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(F)cccc1F ZINC000290496133 530433646 /nfs/dbraw/zinc/43/36/46/530433646.db2.gz JYLNQMICOXXIQU-WDEREUQCSA-N 0 3 395.449 0.914 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000647710535 530428685 /nfs/dbraw/zinc/42/86/85/530428685.db2.gz DRFIJJBIPFEMLN-SNVBAGLBSA-N 0 3 384.230 0.084 20 0 GCADHN CCC[N@H+](CC)C[C@@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000290834017 530436842 /nfs/dbraw/zinc/43/68/42/530436842.db2.gz BSRILQNPPXYACU-SNVBAGLBSA-N 0 3 375.267 0.948 20 0 GCADHN CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000290834017 530436843 /nfs/dbraw/zinc/43/68/43/530436843.db2.gz BSRILQNPPXYACU-SNVBAGLBSA-N 0 3 375.267 0.948 20 0 GCADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccnc2)C[C@H]1N1CCCC1 ZINC000290600473 530434795 /nfs/dbraw/zinc/43/47/95/530434795.db2.gz DJSTXXFSQVMEEE-CABCVRRESA-N 0 3 384.527 0.398 20 0 GCADHN COc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(OC)c1Br ZINC000594877581 530442530 /nfs/dbraw/zinc/44/25/30/530442530.db2.gz YWVNLINBRBAIKV-MNOVXSKESA-N 0 3 398.257 0.850 20 0 GCADHN Cc1cc(Br)sc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875906 530442795 /nfs/dbraw/zinc/44/27/95/530442795.db2.gz OOZHQLKEEWTXBK-DTWKUNHWSA-N 0 3 394.316 0.752 20 0 GCADHN Cc1cc(Br)sc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875905 530442805 /nfs/dbraw/zinc/44/28/05/530442805.db2.gz OOZHQLKEEWTXBK-BDAKNGLRSA-N 0 3 394.316 0.752 20 0 GCADHN C[C@H](NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(Br)cc1 ZINC000594874640 530443045 /nfs/dbraw/zinc/44/30/45/530443045.db2.gz LIWJEHQZBSTTIH-TUKIKUTGSA-N 0 3 395.301 0.870 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H](C)[NH+](C)C)c(C(=O)OC)s1 ZINC000594817141 530440276 /nfs/dbraw/zinc/44/02/76/530440276.db2.gz OAGBYELSOHXQFC-SECBINFHSA-N 0 3 378.472 0.940 20 0 GCADHN CCN(C)CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000291377617 530440277 /nfs/dbraw/zinc/44/02/77/530440277.db2.gz USQRJHBQYDMCEB-UHFFFAOYSA-N 0 3 378.292 0.795 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000594851657 530441517 /nfs/dbraw/zinc/44/15/17/530441517.db2.gz QVRBQQMPXLFQRO-HBNTYKKESA-N 0 3 386.392 0.801 20 0 GCADHN COCCN1CCC(NC(=O)c2c(I)cnn2C)CC1 ZINC000292346453 530446172 /nfs/dbraw/zinc/44/61/72/530446172.db2.gz TULLMZVMVDADAF-UHFFFAOYSA-N 0 3 392.241 0.865 20 0 GCADHN COC(=O)c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000595112674 530444447 /nfs/dbraw/zinc/44/44/47/530444447.db2.gz ZGFPNLZFZUHJKA-IAZYJMLFSA-N 0 3 375.244 0.732 20 0 GCADHN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595242314 530445224 /nfs/dbraw/zinc/44/52/24/530445224.db2.gz SJPIGMMKILAMHZ-RYUDHWBXSA-N 0 3 395.257 0.466 20 0 GCADHN COC[C@@H](C)OC[C@@H](O)CN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292896451 530450565 /nfs/dbraw/zinc/45/05/65/530450565.db2.gz ZGHNYTBPYGFJHC-KGLIPLIRSA-N 0 3 376.475 0.057 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1c(I)cnn1C ZINC000292679071 530448487 /nfs/dbraw/zinc/44/84/87/530448487.db2.gz GFOYTCPGIFENBR-UHFFFAOYSA-N 0 3 380.230 0.675 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000292809680 530449703 /nfs/dbraw/zinc/44/97/03/530449703.db2.gz NBLNCQAUJUULPA-MRXNPFEDSA-N 0 3 387.527 0.701 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C)c(C(=O)OC)s1 ZINC000292840930 530450043 /nfs/dbraw/zinc/45/00/43/530450043.db2.gz ZVCMVNLOIHQVJP-SECBINFHSA-N 0 3 378.472 0.797 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000596804558 530455090 /nfs/dbraw/zinc/45/50/90/530455090.db2.gz HOCHVHKPLKHAEM-UHFFFAOYSA-N 0 3 389.499 0.400 20 0 GCADHN CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595980003 530452097 /nfs/dbraw/zinc/45/20/97/530452097.db2.gz CDYKILBLOYEHKN-PWSUYJOCSA-N 0 3 384.889 0.520 20 0 GCADHN COC(=O)c1cc(OC)c(S(=O)(=O)N(CCN(C)C)CCN(C)C)s1 ZINC000531380579 530453586 /nfs/dbraw/zinc/45/35/86/530453586.db2.gz NZXFQROVXDVPFZ-UHFFFAOYSA-N 0 3 393.531 0.657 20 0 GCADHN O=C(CN1CCNCC1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638594923 530466659 /nfs/dbraw/zinc/46/66/59/530466659.db2.gz CHONXYGFUYGCLV-CQSZACIVSA-N 0 3 381.274 0.576 20 0 GCADHN Cc1ncsc1CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000296315368 530469517 /nfs/dbraw/zinc/46/95/17/530469517.db2.gz OMEINGWRCGLICH-CQSZACIVSA-N 0 3 386.543 0.562 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)N[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000296569906 530470673 /nfs/dbraw/zinc/47/06/73/530470673.db2.gz SWBQMDFJHQJNPL-WFASDCNBSA-N 0 3 375.516 0.629 20 0 GCADHN CC(C(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O)S(C)(=O)=O ZINC000293894850 530456130 /nfs/dbraw/zinc/45/61/30/530456130.db2.gz GTLPEDUGTPZSQM-GZMMTYOYSA-N 0 3 375.244 0.714 20 0 GCADHN CC(C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O)S(C)(=O)=O ZINC000293894857 530456299 /nfs/dbraw/zinc/45/62/99/530456299.db2.gz GTLPEDUGTPZSQM-KWQFWETISA-N 0 3 375.244 0.714 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)c3sccc3S(N)(=O)=O)C2)CC1 ZINC000597383197 530457562 /nfs/dbraw/zinc/45/75/62/530457562.db2.gz ZFZDNZCDDMYOCY-ZDUSSCGKSA-N 0 3 386.543 0.636 20 0 GCADHN C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C2)C1 ZINC000294166430 530457568 /nfs/dbraw/zinc/45/75/68/530457568.db2.gz OHSISQLFWQMPNN-OAHLLOKOSA-N 0 3 385.262 0.656 20 0 GCADHN C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C2)C1 ZINC000294166430 530457570 /nfs/dbraw/zinc/45/75/70/530457570.db2.gz OHSISQLFWQMPNN-OAHLLOKOSA-N 0 3 385.262 0.656 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000294188617 530457668 /nfs/dbraw/zinc/45/76/68/530457668.db2.gz KGLVEDSUXPAIQN-ZDUSSCGKSA-N 0 3 389.547 0.580 20 0 GCADHN O=S1(=O)CC[C@](O)(CNCc2cccc(I)c2)C1 ZINC000294719960 530460091 /nfs/dbraw/zinc/46/00/91/530460091.db2.gz FICFNXQRBWAMDJ-LBPRGKRZSA-N 0 3 381.235 0.930 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(S(=O)(=O)CCO)cc2)C1 ZINC000294823583 530460312 /nfs/dbraw/zinc/46/03/12/530460312.db2.gz XUXDCIJOUSJQJO-GDBMZVCRSA-N 0 3 375.512 0.898 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CCC2(C[NH3+])CC2)s1 ZINC000652378862 530462123 /nfs/dbraw/zinc/46/21/23/530462123.db2.gz JNPQEOIPITYSQF-UHFFFAOYSA-N 0 3 395.572 0.637 20 0 GCADHN COC(=O)c1ccc(OCCN2C(C)C(=O)N(C)S2(=O)=O)c(Cl)c1 ZINC000295299095 530462178 /nfs/dbraw/zinc/46/21/78/530462178.db2.gz JWVMKQCGNXMRFA-VIFPVBQESA-N 0 3 376.818 0.913 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(I)c[nH]1 ZINC000598186854 530462531 /nfs/dbraw/zinc/46/25/31/530462531.db2.gz NQJRVDLRMRGGBQ-UHFFFAOYSA-N 0 3 392.241 0.711 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCC1CC[NH2+]CC1 ZINC000652385240 530462623 /nfs/dbraw/zinc/46/26/23/530462623.db2.gz QXSONVZSNDFQFB-UHFFFAOYSA-N 0 3 375.516 0.605 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(Br)cn1 ZINC000365195662 530465364 /nfs/dbraw/zinc/46/53/64/530465364.db2.gz FOBARLMHWGRVRI-NEPJUHHUSA-N 0 3 383.246 0.762 20 0 GCADHN COCCN(C)CCCNC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000298370852 530480243 /nfs/dbraw/zinc/48/02/43/530480243.db2.gz DXXGPMLHYBFVKP-UHFFFAOYSA-N 0 3 377.532 0.538 20 0 GCADHN CC(C(=O)NCc1cccs1)S(=O)(=O)CCN1C(=O)NC(C)(C)C1=O ZINC000298364502 530480288 /nfs/dbraw/zinc/48/02/88/530480288.db2.gz IJNHFBSCAFFFGA-SNVBAGLBSA-N 0 3 387.483 0.498 20 0 GCADHN COc1ccc(C)cc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000298397376 530480727 /nfs/dbraw/zinc/48/07/27/530480727.db2.gz VIOATGKVKUVFMJ-GXTWGEPZSA-N 0 3 389.495 0.610 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1 ZINC000298517555 530481483 /nfs/dbraw/zinc/48/14/83/530481483.db2.gz TXDXAOOPLLLFGW-CYBMUJFWSA-N 0 3 387.527 0.700 20 0 GCADHN C[C@@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)CN1CCCC1 ZINC000298834151 530484007 /nfs/dbraw/zinc/48/40/07/530484007.db2.gz YACGUXUURZQCJH-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588768 530484338 /nfs/dbraw/zinc/48/43/38/530484338.db2.gz QFIJABBHDGYBQI-SGMGOOAPSA-N 0 3 387.502 0.798 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Cc3csc(CCC(F)(F)F)n3)CCN2C1=O ZINC000602532524 530484426 /nfs/dbraw/zinc/48/44/26/530484426.db2.gz ZKUJWLWTSWLWCV-WDEREUQCSA-N 0 3 376.404 0.951 20 0 GCADHN CC(C)(N)C(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000602586769 530484569 /nfs/dbraw/zinc/48/45/69/530484569.db2.gz UYUXIIVWBBDPIG-UHFFFAOYSA-N 0 3 375.214 0.467 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000602692582 530484726 /nfs/dbraw/zinc/48/47/26/530484726.db2.gz BFHCWGQQYMNZAW-LBPRGKRZSA-N 0 3 375.878 0.524 20 0 GCADHN CCOC[C@@H]1CN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)CCO1 ZINC000599450100 530473114 /nfs/dbraw/zinc/47/31/14/530473114.db2.gz MMOLSPBYICDGAW-QWRGUYRKSA-N 0 3 377.381 0.938 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)NCCOCCS(N)(=O)=O)c1ccsc1 ZINC000297621437 530475161 /nfs/dbraw/zinc/47/51/61/530475161.db2.gz RTWKXEYNJGCWLZ-AWEZNQCLSA-N 0 3 392.547 0.735 20 0 GCADHN CS(=O)(=O)NC1CN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000636677516 530476157 /nfs/dbraw/zinc/47/61/57/530476157.db2.gz KGKKIWLFKUHYST-UHFFFAOYSA-N 0 3 386.543 0.903 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCCN2CCCC2)c1 ZINC000298159106 530477938 /nfs/dbraw/zinc/47/79/38/530477938.db2.gz NZLQSWFENCFNDZ-UHFFFAOYSA-N 0 3 375.516 0.701 20 0 GCADHN O=C1NC(=O)C2(CCN(C[C@@H](O)COc3ccc(Br)cc3)CC2)N1 ZINC000534834949 530496652 /nfs/dbraw/zinc/49/66/52/530496652.db2.gz FHKXUHLFTQVKMX-GFCCVEGCSA-N 0 3 398.257 0.863 20 0 GCADHN CCOC(=O)C1CCC(O)(CN2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000365252879 530498775 /nfs/dbraw/zinc/49/87/75/530498775.db2.gz CPMLVHNLKDUMJJ-CKDBGZEDSA-N 0 3 376.519 0.873 20 0 GCADHN CO[C@@H]1CCN(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)[C@@H](CN)C1 ZINC000521437050 530486367 /nfs/dbraw/zinc/48/63/67/530486367.db2.gz NFPDYEBESKMUNX-BZUAXINKSA-N 0 3 375.535 0.096 20 0 GCADHN CCN1CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000299253566 530488637 /nfs/dbraw/zinc/48/86/37/530488637.db2.gz FELIQZLTVACMDK-CQSZACIVSA-N 0 3 388.559 0.559 20 0 GCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000522765010 530489013 /nfs/dbraw/zinc/48/90/13/530489013.db2.gz OLZWKMBUEBLGRI-LSDHHAIUSA-N 0 3 392.591 0.785 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000522764291 530489074 /nfs/dbraw/zinc/48/90/74/530489074.db2.gz UGZXRGGQVZUZDI-UHFFFAOYSA-N 0 3 392.591 0.881 20 0 GCADHN C[C@H](CNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)N(C)C ZINC000299289086 530489104 /nfs/dbraw/zinc/48/91/04/530489104.db2.gz PBCSKYFRXPAKSQ-GFCCVEGCSA-N 0 3 375.516 0.512 20 0 GCADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000627378418 530489447 /nfs/dbraw/zinc/48/94/47/530489447.db2.gz LLMTYUQVMFYYSB-ZDUSSCGKSA-N 0 3 383.290 0.951 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)[N-]CCCN2CCC[N@H+](C)CC2)s1 ZINC000603403385 530489564 /nfs/dbraw/zinc/48/95/64/530489564.db2.gz PYTJKDMOLVPGDG-UHFFFAOYSA-N 0 3 375.516 0.841 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)[N-]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000603403385 530489565 /nfs/dbraw/zinc/48/95/65/530489565.db2.gz PYTJKDMOLVPGDG-UHFFFAOYSA-N 0 3 375.516 0.841 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000299334180 530489797 /nfs/dbraw/zinc/48/97/97/530489797.db2.gz CKMBGCJCZDVKSV-CQSZACIVSA-N 0 3 387.527 0.844 20 0 GCADHN CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)N(CC[NH3+])CCO)ccc1F ZINC000415227209 530501030 /nfs/dbraw/zinc/50/10/30/530501030.db2.gz INMUQFCANWDLRV-UHFFFAOYSA-N 0 3 376.454 0.687 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N(C)C)ncc1I ZINC000453570808 530494804 /nfs/dbraw/zinc/49/48/04/530494804.db2.gz DEMKNTSMHRBPBC-SECBINFHSA-N 0 3 390.225 0.999 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)c3nc4ccc(Br)cn4n3)C[C@H]2N)cn1 ZINC000623072490 530495365 /nfs/dbraw/zinc/49/53/65/530495365.db2.gz CEEZOPMJIAZUOI-NWDGAFQWSA-N 0 3 390.245 0.792 20 0 GCADHN CCN(C)C(=O)[C@@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000531950965 530495719 /nfs/dbraw/zinc/49/57/19/530495719.db2.gz PGARGFBBOCXZRQ-AAEUAGOBSA-N 0 3 378.516 0.349 20 0 GCADHN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(C)S(C)(=O)=O ZINC000049620303 530496466 /nfs/dbraw/zinc/49/64/66/530496466.db2.gz VPTJPGXESZSBLE-GFCCVEGCSA-N 0 3 376.500 0.564 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000669201815 530503369 /nfs/dbraw/zinc/50/33/69/530503369.db2.gz WECUPFVRNKLSHH-LLVKDONJSA-N 0 3 387.527 0.757 20 0 GCADHN COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)CN ZINC000415598578 530503587 /nfs/dbraw/zinc/50/35/87/530503587.db2.gz KUKCYQNEOUAHAN-ZCFIWIBFSA-N 0 3 376.182 0.777 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415643262 530503595 /nfs/dbraw/zinc/50/35/95/530503595.db2.gz QNSLGKZLNFFCIG-YFKPBYRVSA-N 0 3 383.136 0.971 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CN)ccc1Cl ZINC000415656998 530503603 /nfs/dbraw/zinc/50/36/03/530503603.db2.gz PSRUVWUCEVDWQK-JTQLQIEISA-N 0 3 390.893 0.772 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000415717015 530504138 /nfs/dbraw/zinc/50/41/38/530504138.db2.gz CVFGBLBXUPTYRJ-GUBZILKMSA-N 0 3 390.428 0.221 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cccc(I)c1 ZINC000415858891 530504867 /nfs/dbraw/zinc/50/48/67/530504867.db2.gz FPOPPKNCEOGTEN-LLVKDONJSA-N 0 3 389.193 0.334 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000415860480 530504941 /nfs/dbraw/zinc/50/49/41/530504941.db2.gz HPPDDHAQTKPVPP-QMMMGPOBSA-N 0 3 378.173 0.770 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cccc(I)c1 ZINC000415858892 530504953 /nfs/dbraw/zinc/50/49/53/530504953.db2.gz FPOPPKNCEOGTEN-NSHDSACASA-N 0 3 389.193 0.334 20 0 GCADHN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415867961 530505171 /nfs/dbraw/zinc/50/51/71/530505171.db2.gz PSDXRRYMUKZYCK-QMMMGPOBSA-N 0 3 390.223 0.823 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1c(F)cc(Br)cc1F ZINC000415872738 530505344 /nfs/dbraw/zinc/50/53/44/530505344.db2.gz XCQSAJZQTOHGJX-QMMMGPOBSA-N 0 3 378.173 0.770 20 0 GCADHN CCS(=O)(=O)NCCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000366802634 530505728 /nfs/dbraw/zinc/50/57/28/530505728.db2.gz XDMUQGDPNQTAEQ-CQSZACIVSA-N 0 3 376.523 0.211 20 0 GCADHN CC1(C)CN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CCN1 ZINC000563161935 530507369 /nfs/dbraw/zinc/50/73/69/530507369.db2.gz CHDMEVWPTOHHBZ-UHFFFAOYSA-N 0 3 390.303 0.938 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCN(C)C2)c1 ZINC000416494224 530510884 /nfs/dbraw/zinc/51/08/84/530510884.db2.gz HWQRBSVCTRMDFP-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000416495904 530511116 /nfs/dbraw/zinc/51/11/16/530511116.db2.gz NIRFHPIEJZFDJX-SECBINFHSA-N 0 3 376.276 0.778 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638923331 530501824 /nfs/dbraw/zinc/50/18/24/530501824.db2.gz PPXQHIMXQWZIBD-DTORHVGOSA-N 0 3 394.316 0.752 20 0 GCADHN CSc1ccc([C@H](CNC(=O)N2CC(NS(C)(=O)=O)C2)N(C)C)cc1 ZINC000637177112 530501928 /nfs/dbraw/zinc/50/19/28/530501928.db2.gz YKCWFRXGRCKCPL-HNNXBMFYSA-N 0 3 386.543 0.954 20 0 GCADHN NCCNC(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000415278132 530502269 /nfs/dbraw/zinc/50/22/69/530502269.db2.gz ZKPOZAKPTBJOEC-UHFFFAOYSA-N 0 3 380.246 0.902 20 0 GCADHN COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)CC1 ZINC000408320887 530502660 /nfs/dbraw/zinc/50/26/60/530502660.db2.gz MMCCLTCJWGACIC-CABCVRRESA-N 0 3 391.559 0.628 20 0 GCADHN CO[C@@H](CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1CCOCC1 ZINC000638942161 530515451 /nfs/dbraw/zinc/51/54/51/530515451.db2.gz SAWXXDWGPSSICX-SJORKVTESA-N 0 3 376.519 0.554 20 0 GCADHN CCN1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000112918211 530516824 /nfs/dbraw/zinc/51/68/24/530516824.db2.gz JFSNNRSIFUFZEC-UHFFFAOYSA-N 0 3 394.950 0.434 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ncccc2Br)CC1=O ZINC000425324398 530517108 /nfs/dbraw/zinc/51/71/08/530517108.db2.gz VYUSFWHTFDIRNH-GFCCVEGCSA-N 0 3 399.289 0.753 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000366184202 530517387 /nfs/dbraw/zinc/51/73/87/530517387.db2.gz TVDUBKKECUFREN-ZDUSSCGKSA-N 0 3 391.515 0.085 20 0 GCADHN COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571061250 530517747 /nfs/dbraw/zinc/51/77/47/530517747.db2.gz RJFQELWXQUEEPO-KOLCDFICSA-N 0 3 387.845 0.059 20 0 GCADHN CN(C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C1CC[NH2+]CC1 ZINC000237077360 530519192 /nfs/dbraw/zinc/51/91/92/530519192.db2.gz QLFUWEXPLXZTEL-UHFFFAOYSA-N 0 3 396.332 0.999 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CN1C1CC1 ZINC000563305850 530520315 /nfs/dbraw/zinc/52/03/15/530520315.db2.gz PUUJKFNRMWFOTN-JFGNBEQYSA-N 0 3 386.440 0.733 20 0 GCADHN COC(=O)C[C@H]1CSCCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330534667 530521495 /nfs/dbraw/zinc/52/14/95/530521495.db2.gz IZWVOTGCDBXBTE-NEPJUHHUSA-N 0 3 379.500 0.476 20 0 GCADHN Cc1nn2cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cnc2c1Cl ZINC000534306081 530523214 /nfs/dbraw/zinc/52/32/14/530523214.db2.gz DXZSIRJMHOFJFH-UHFFFAOYSA-N 0 3 388.925 0.805 20 0 GCADHN CC(C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)C1CCOCC1 ZINC000531707466 530521845 /nfs/dbraw/zinc/52/18/45/530521845.db2.gz FVRZKTWRPIFDHX-YUELXQCFSA-N 0 3 395.543 0.783 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)S(C)(=O)=O ZINC000330572548 530521862 /nfs/dbraw/zinc/52/18/62/530521862.db2.gz GHBCTWFEXWHEKC-BXKDBHETSA-N 0 3 389.271 0.882 20 0 GCADHN Cc1cc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)ccc1Br ZINC000572586666 530546744 /nfs/dbraw/zinc/54/67/44/530546744.db2.gz CZVVZOADCVANKV-CYBMUJFWSA-N 0 3 383.290 0.475 20 0 GCADHN CC(C)(C)[C@H](CO)NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000444701775 530546950 /nfs/dbraw/zinc/54/69/50/530546950.db2.gz IDSJFUWUEOBXTK-KFWWJZLASA-N 0 3 376.519 0.178 20 0 GCADHN O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1nc2cc(Br)cnc2[n-]1 ZINC000567730638 530547521 /nfs/dbraw/zinc/54/75/21/530547521.db2.gz LCDAAQBURMWFFV-SNVBAGLBSA-N 0 3 395.261 0.595 20 0 GCADHN CCO[C@@H]1C[C@](CO)(NCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000444800465 530547778 /nfs/dbraw/zinc/54/77/78/530547778.db2.gz KNIQXEDZWMRQNY-JJRVBVJISA-N 0 3 376.519 0.178 20 0 GCADHN CC[C@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H](C)O ZINC000567877531 530549895 /nfs/dbraw/zinc/54/98/95/530549895.db2.gz PTASQJWHZDGPKO-OLZOCXBDSA-N 0 3 378.516 0.460 20 0 GCADHN C[C@@H](NC(=O)c1c(Cl)cccc1S(C)(=O)=O)C(=O)NCCN(C)C ZINC000563403662 530525046 /nfs/dbraw/zinc/52/50/46/530525046.db2.gz MLGHVMBSKPKZJW-SNVBAGLBSA-N 0 3 375.878 0.540 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CCO1 ZINC000330792314 530525289 /nfs/dbraw/zinc/52/52/89/530525289.db2.gz DHXWWHZYEQJLID-GFCCVEGCSA-N 0 3 375.516 0.242 20 0 GCADHN CSc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Cl ZINC000563443787 530526375 /nfs/dbraw/zinc/52/63/75/530526375.db2.gz YWLFXAYCFISAKJ-JOYOIKCWSA-N 0 3 375.903 0.994 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3csc(-c4ccccc4)n3)CCN2C1=O ZINC000563443913 530526404 /nfs/dbraw/zinc/52/64/04/530526404.db2.gz ZAYDRLGRVCRIOS-CHWSQXEVSA-N 0 3 378.479 0.743 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3csc(-c4ccccc4)n3)CCN2C1=O ZINC000563443914 530526458 /nfs/dbraw/zinc/52/64/58/530526458.db2.gz ZAYDRLGRVCRIOS-OLZOCXBDSA-N 0 3 378.479 0.743 20 0 GCADHN O=C(NCc1ccc(I)cc1Cl)C(=O)NC1CNC1 ZINC000563610977 530527196 /nfs/dbraw/zinc/52/71/96/530527196.db2.gz QIPBPJFTQLFOBC-UHFFFAOYSA-N 0 3 393.612 0.649 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000571202435 530528600 /nfs/dbraw/zinc/52/86/00/530528600.db2.gz FZBJVHFKNOGHQQ-XGZNKIABSA-N 0 3 375.535 0.219 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1nc2ncc(Br)cn2n1 ZINC000366566006 530529927 /nfs/dbraw/zinc/52/99/27/530529927.db2.gz FSPGIEVAKQYDQQ-LBPRGKRZSA-N 0 3 395.261 0.870 20 0 GCADHN Cc1c(I)cccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566495898 530531631 /nfs/dbraw/zinc/53/16/31/530531631.db2.gz LUIDXJMPPIZICQ-GWCFXTLKSA-N 0 3 399.232 0.984 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000443283301 530532108 /nfs/dbraw/zinc/53/21/08/530532108.db2.gz LMBLOQVBUHTFSO-NSHDSACASA-N 0 3 377.488 0.301 20 0 GCADHN CCOc1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1Br ZINC000425952441 530532168 /nfs/dbraw/zinc/53/21/68/530532168.db2.gz PDBGHTPGLCPQAF-NSHDSACASA-N 0 3 388.262 0.825 20 0 GCADHN C[NH2+]CCSCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[n-]1 ZINC000566676323 530532938 /nfs/dbraw/zinc/53/29/38/530532938.db2.gz IKHDUYCLMNGHNV-UHFFFAOYSA-N 0 3 385.467 0.939 20 0 GCADHN CS(=O)(=O)Cc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000443299980 530532950 /nfs/dbraw/zinc/53/29/50/530532950.db2.gz SPXPTLKPXLLWBW-UHFFFAOYSA-N 0 3 390.527 0.214 20 0 GCADHN Cc1ccc(Cl)c(OC[C@H](O)CNCCNS(=O)(=O)NC(C)C)c1 ZINC000566674079 530533035 /nfs/dbraw/zinc/53/30/35/530533035.db2.gz QWPKVIWMIZZQGL-CYBMUJFWSA-N 0 3 379.910 0.810 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)CCN2C1=O ZINC000566984998 530536078 /nfs/dbraw/zinc/53/60/78/530536078.db2.gz ZEVXGTVPXYTFSM-KOLCDFICSA-N 0 3 392.250 0.521 20 0 GCADHN CN(C)CCOCCNC(=O)C(=O)N(C)Cc1ccc(Br)o1 ZINC000566935532 530536292 /nfs/dbraw/zinc/53/62/92/530536292.db2.gz WDDUFAVVEYLYLX-UHFFFAOYSA-N 0 3 376.251 0.695 20 0 GCADHN CC1CCN(C[C@H](O)CNC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000154028613 530538246 /nfs/dbraw/zinc/53/82/46/530538246.db2.gz FYRPTTVFIWZVCJ-CQSZACIVSA-N 0 3 399.289 0.992 20 0 GCADHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000444027606 530540185 /nfs/dbraw/zinc/54/01/85/530540185.db2.gz FLYFNSCTZXUQPG-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccs1)N[C@H](CO)CN1CCCCC1 ZINC000567450405 530542982 /nfs/dbraw/zinc/54/29/82/530542982.db2.gz CHSCKNNTNAIPTM-ZDUSSCGKSA-N 0 3 375.516 0.380 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCCN(C)C(C)C)c(C(=O)OC)s1 ZINC000444169458 530543426 /nfs/dbraw/zinc/54/34/26/530543426.db2.gz KGTUKCYCFCEZCU-UHFFFAOYSA-N 0 3 378.472 0.940 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000156009028 530545265 /nfs/dbraw/zinc/54/52/65/530545265.db2.gz ZSPPZRDJZLQTGV-OWCLPIDISA-N 0 3 376.567 0.340 20 0 GCADHN COC[C@@]1(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC[NH2+]C1 ZINC000567666763 530545918 /nfs/dbraw/zinc/54/59/18/530545918.db2.gz VGUSEWPVBXEWEK-MRXNPFEDSA-N 0 3 387.527 0.644 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000446479415 530552910 /nfs/dbraw/zinc/55/29/10/530552910.db2.gz GRHNLIJKAHHJGE-NSHDSACASA-N 0 3 395.257 0.975 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1OC ZINC000573729243 530582963 /nfs/dbraw/zinc/58/29/63/530582963.db2.gz RRWMGPHBBOFVFC-LLVKDONJSA-N 0 3 391.877 0.399 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1Cl ZINC000568220201 530555147 /nfs/dbraw/zinc/55/51/47/530555147.db2.gz KZGVRCYZGMNTDS-GFCCVEGCSA-N 0 3 375.878 0.564 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](CO)CN(C)C ZINC000673520639 530556104 /nfs/dbraw/zinc/55/61/04/530556104.db2.gz LJKRGIIQLUQPNG-RKDXNWHRSA-N 0 3 378.292 0.668 20 0 GCADHN CS(=O)(=O)CCCCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000425537909 530557559 /nfs/dbraw/zinc/55/75/59/530557559.db2.gz HXTPNGBWZVZMSH-UHFFFAOYSA-N 0 3 376.523 0.103 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)s3)CCN2C1=O ZINC000568268095 530557585 /nfs/dbraw/zinc/55/75/85/530557585.db2.gz RHZRCRCPEIMAFT-JGVFFNPUSA-N 0 3 380.289 0.443 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3Br)CCN2C1=O ZINC000568283134 530557739 /nfs/dbraw/zinc/55/77/39/530557739.db2.gz FHLBYQHHDGOYSA-ONGXEEELSA-N 0 3 399.220 0.297 20 0 GCADHN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568268272 530557771 /nfs/dbraw/zinc/55/77/71/530557771.db2.gz UKNZLHLHNRNYMX-JKOKRWQUSA-N 0 3 382.258 0.987 20 0 GCADHN CSc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Cl ZINC000568283314 530557884 /nfs/dbraw/zinc/55/78/84/530557884.db2.gz KFUYLOBHQDJYOA-JQWIXIFHSA-N 0 3 382.873 0.771 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)CCN2C1=O ZINC000568283530 530557913 /nfs/dbraw/zinc/55/79/13/530557913.db2.gz QPFBUCQRSHFXDM-CABZTGNLSA-N 0 3 399.220 0.297 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC000447200927 530558818 /nfs/dbraw/zinc/55/88/18/530558818.db2.gz RGPLWLNCKWHAIN-ZIAGYGMSSA-N 0 3 383.580 0.602 20 0 GCADHN CC(C(=O)NCc1cccs1)S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000568412900 530559147 /nfs/dbraw/zinc/55/91/47/530559147.db2.gz MVGIDNXMBAMPHC-MRVPVSSYSA-N 0 3 397.404 0.917 20 0 GCADHN C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000447242080 530559512 /nfs/dbraw/zinc/55/95/12/530559512.db2.gz FFGBLUWWFICPJY-VIFPVBQESA-N 0 3 389.421 0.400 20 0 GCADHN C[C@H](CC[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000447241993 530559693 /nfs/dbraw/zinc/55/96/93/530559693.db2.gz DTSPPGFQUYJPSF-SECBINFHSA-N 0 3 389.421 0.543 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000447250202 530559991 /nfs/dbraw/zinc/55/99/91/530559991.db2.gz VSOHUCHQYALADU-MNOVXSKESA-N 0 3 379.479 0.945 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1C(F)(F)F ZINC000563821900 530561799 /nfs/dbraw/zinc/56/17/99/530561799.db2.gz MBLQMCUFPLHWKN-ZWNOBZJWSA-N 0 3 377.388 0.946 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000447749989 530562320 /nfs/dbraw/zinc/56/23/20/530562320.db2.gz GIHYMRYHZKQTCG-HNNXBMFYSA-N 0 3 381.564 0.452 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NCC1(O)CCS(=O)(=O)CC1 ZINC000568751141 530562552 /nfs/dbraw/zinc/56/25/52/530562552.db2.gz ZQUIBCUZVARKIS-CQSZACIVSA-N 0 3 375.512 0.768 20 0 GCADHN COCCNc1nc(NC[C@H]2CCSC2)nc(NC[C@H]2CCSC2)n1 ZINC000447816955 530563091 /nfs/dbraw/zinc/56/30/91/530563091.db2.gz LTITVSWSWPRQED-CHWSQXEVSA-N 0 3 384.575 0.526 20 0 GCADHN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000366819066 530564432 /nfs/dbraw/zinc/56/44/32/530564432.db2.gz CLPOQHSYUWASIE-UWVGGRQHSA-N 0 3 391.852 0.720 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3cc4c(c(Br)c3)OCO4)CCN2C1=O ZINC000568901721 530564713 /nfs/dbraw/zinc/56/47/13/530564713.db2.gz GYSQRJJXKMNUPF-KOLCDFICSA-N 0 3 382.214 0.562 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)CCN2C1=O ZINC000569003010 530565782 /nfs/dbraw/zinc/56/57/82/530565782.db2.gz LOIIXRCQYGSQJH-GXSJLCMTSA-N 0 3 399.220 0.297 20 0 GCADHN CCN(C(=O)NC1CCN(CCN(C)C)CC1)[C@H](C)CS(=O)(=O)CC ZINC000113588768 530583460 /nfs/dbraw/zinc/58/34/60/530583460.db2.gz LVCMYYPHSRRKKY-OAHLLOKOSA-N 0 3 376.567 0.867 20 0 GCADHN COCCOCCS(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000366889542 530571693 /nfs/dbraw/zinc/57/16/93/530571693.db2.gz VHSJFJFZWHPUFG-UHFFFAOYSA-N 0 3 377.551 0.470 20 0 GCADHN O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NC[C@H]1CNCCO1 ZINC000572881735 530571998 /nfs/dbraw/zinc/57/19/98/530571998.db2.gz HRICDHKVTYTJJG-SNVBAGLBSA-N 0 3 381.376 0.088 20 0 GCADHN CCS[C@@H]1CCC[C@H]1NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000367015617 530574220 /nfs/dbraw/zinc/57/42/20/530574220.db2.gz LURBTOVBUGYSGW-ARFHVFGLSA-N 0 3 389.587 0.582 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000451238377 530575413 /nfs/dbraw/zinc/57/54/13/530575413.db2.gz YOWXEYIYPBWKGO-RKDXNWHRSA-N 0 3 381.394 0.319 20 0 GCADHN CCOC(=O)CC1(S(=O)(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000451244779 530575949 /nfs/dbraw/zinc/57/59/49/530575949.db2.gz NMZWFAIGJIAAKH-HNNXBMFYSA-N 0 3 375.535 0.665 20 0 GCADHN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000367052622 530575996 /nfs/dbraw/zinc/57/59/96/530575996.db2.gz LNMJHFGZUOIZSB-CYBMUJFWSA-N 0 3 396.289 0.631 20 0 GCADHN CCOC(=O)CC(C)(C)CCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000573229866 530576766 /nfs/dbraw/zinc/57/67/66/530576766.db2.gz IAIRTUGWUUAHGH-CABCVRRESA-N 0 3 376.519 0.443 20 0 GCADHN O=S(=O)(NCCNC[C@@H](O)Cn1cccn1)c1ccc(F)cc1Cl ZINC000573238219 530577564 /nfs/dbraw/zinc/57/75/64/530577564.db2.gz VFLWHVJNHFFLCZ-GFCCVEGCSA-N 0 3 376.841 0.605 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCN([C@H](C)CO)CC1 ZINC000451447312 530580971 /nfs/dbraw/zinc/58/09/71/530580971.db2.gz SDLLNPWAHIGTMP-VXGBXAGGSA-N 0 3 390.424 0.589 20 0 GCADHN O=S(=O)(CCNC[C@@H](O)Cn1ccnn1)c1cccc(Br)c1 ZINC000573491403 530581154 /nfs/dbraw/zinc/58/11/54/530581154.db2.gz XNVFYAXATUKGIP-GFCCVEGCSA-N 0 3 389.275 0.465 20 0 GCADHN O=C1[C@H](NC[C@H](O)COc2cccc(Br)c2)CCCN1CCO ZINC000583565265 530581246 /nfs/dbraw/zinc/58/12/46/530581246.db2.gz XUCAOAIZBMTZGG-DZGCQCFKSA-N 0 3 387.274 0.762 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000451468142 530581331 /nfs/dbraw/zinc/58/13/31/530581331.db2.gz SZOLRQHLIMRHJD-UWVGGRQHSA-N 0 3 395.421 0.567 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000451470632 530581579 /nfs/dbraw/zinc/58/15/79/530581579.db2.gz WPNIOPFSCLDOKL-VHSXEESVSA-N 0 3 395.421 0.709 20 0 GCADHN CN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)[C@H](CN)C1 ZINC000573568064 530581787 /nfs/dbraw/zinc/58/17/87/530581787.db2.gz PZEOFVZQTAYLSE-MRVPVSSYSA-N 0 3 384.246 0.991 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000451468146 530581819 /nfs/dbraw/zinc/58/18/19/530581819.db2.gz SZOLRQHLIMRHJD-ZJUUUORDSA-N 0 3 395.421 0.567 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000451503817 530582523 /nfs/dbraw/zinc/58/25/23/530582523.db2.gz RNYKJXHLQJKUSE-RKDXNWHRSA-N 0 3 381.394 0.319 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC(n2nc(C)nc2C)C1 ZINC000451508861 530582678 /nfs/dbraw/zinc/58/26/78/530582678.db2.gz YNGYGLLZVLMIJA-LLVKDONJSA-N 0 3 384.380 0.966 20 0 GCADHN CN1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@@H](CN)C1 ZINC000567987076 530551310 /nfs/dbraw/zinc/55/13/10/530551310.db2.gz PBNBMJNPORKWPO-QMMMGPOBSA-N 0 3 384.246 0.991 20 0 GCADHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000574276822 530589017 /nfs/dbraw/zinc/58/90/17/530589017.db2.gz LESHGZIDZQUKGD-QMMMGPOBSA-N 0 3 385.305 0.868 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574466323 530590814 /nfs/dbraw/zinc/59/08/14/530590814.db2.gz DYJXSRPOBXAQIX-RYUDHWBXSA-N 0 3 381.230 0.158 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451888826 530591262 /nfs/dbraw/zinc/59/12/62/530591262.db2.gz KENBVASXYYQZLB-GRYCIOLGSA-N 0 3 390.424 0.587 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC(S(=O)(=O)CC)C1 ZINC000451914716 530592353 /nfs/dbraw/zinc/59/23/53/530592353.db2.gz FWFHLJCCRMFDAM-VIFPVBQESA-N 0 3 381.394 0.319 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ncc(Br)cn1 ZINC000574771906 530594304 /nfs/dbraw/zinc/59/43/04/530594304.db2.gz XXAXRFZEHFJKBD-GDPRMGEGSA-N 0 3 383.250 0.254 20 0 GCADHN [NH3+]CC[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(F)F ZINC000417925918 530596325 /nfs/dbraw/zinc/59/63/25/530596325.db2.gz KEXWDULNYSLFGE-SSDOTTSWSA-N 0 3 390.865 0.962 20 0 GCADHN CC(C)(CN1CCCC1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000452092885 530598983 /nfs/dbraw/zinc/59/89/83/530598983.db2.gz XGRRNQGYHHDJKK-UHFFFAOYSA-N 0 3 389.543 0.759 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3Br)CCN2C1=O ZINC000519785319 530600381 /nfs/dbraw/zinc/60/03/81/530600381.db2.gz XPXNHBFXKPCPON-GXSJLCMTSA-N 0 3 392.250 0.521 20 0 GCADHN CSC1(CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CCN(C)CC1 ZINC000575794357 530600813 /nfs/dbraw/zinc/60/08/13/530600813.db2.gz CGPLTCDCTDGDAX-CYBMUJFWSA-N 0 3 378.564 0.395 20 0 GCADHN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000519827184 530601860 /nfs/dbraw/zinc/60/18/60/530601860.db2.gz MNAMYEJSHXFEPL-STQMWFEESA-N 0 3 375.516 0.875 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@H]1CCC[N@H+]1CCCO ZINC000452347417 530602893 /nfs/dbraw/zinc/60/28/93/530602893.db2.gz ISNFCVYTBJQRPY-LLVKDONJSA-N 0 3 395.934 0.643 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452347417 530602896 /nfs/dbraw/zinc/60/28/96/530602896.db2.gz ISNFCVYTBJQRPY-LLVKDONJSA-N 0 3 395.934 0.643 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)NC[C@@H]1CCCN1CCCO ZINC000452349602 530603327 /nfs/dbraw/zinc/60/33/27/530603327.db2.gz BPPFHGFDHDQBHK-AWEZNQCLSA-N 0 3 386.290 0.964 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452567836 530604980 /nfs/dbraw/zinc/60/49/80/530604980.db2.gz FURDFKLQPLPIHN-UKRRQHHQSA-N 0 3 377.576 0.990 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452567832 530605228 /nfs/dbraw/zinc/60/52/28/530605228.db2.gz FURDFKLQPLPIHN-DZGCQCFKSA-N 0 3 377.576 0.990 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452567837 530605296 /nfs/dbraw/zinc/60/52/96/530605296.db2.gz FURDFKLQPLPIHN-ZFWWWQNUSA-N 0 3 377.576 0.990 20 0 GCADHN COCCOC[C@@H](O)CNCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000576102157 530605351 /nfs/dbraw/zinc/60/53/51/530605351.db2.gz VUMSGTIXWXYBBB-AWEZNQCLSA-N 0 3 376.450 0.479 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)CC1 ZINC000329121921 530606497 /nfs/dbraw/zinc/60/64/97/530606497.db2.gz WJKXJQCFKDFFSQ-LSDHHAIUSA-N 0 3 390.575 0.201 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@H]1CCCCN1CCO ZINC000452800013 530606566 /nfs/dbraw/zinc/60/65/66/530606566.db2.gz QVGZHCNLLSOWEC-KGLIPLIRSA-N 0 3 381.564 0.010 20 0 GCADHN C[C@@H](c1nccs1)N1CCN(C(=O)C2(S(C)(=O)=O)CCNCC2)CC1 ZINC000576228266 530606625 /nfs/dbraw/zinc/60/66/25/530606625.db2.gz CZQMHMKHYQFCSL-ZDUSSCGKSA-N 0 3 386.543 0.515 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)CC1 ZINC000329121918 530606672 /nfs/dbraw/zinc/60/66/72/530606672.db2.gz WJKXJQCFKDFFSQ-CABCVRRESA-N 0 3 390.575 0.201 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)COc3ccc(F)cc3Br)CCN2C1=O ZINC000576292228 530607084 /nfs/dbraw/zinc/60/70/84/530607084.db2.gz HRDJYAHWSSVHDU-ZYHUDNBSSA-N 0 3 386.221 0.737 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)COc3ccc(F)cc3Br)CCN2C1=O ZINC000576292227 530607380 /nfs/dbraw/zinc/60/73/80/530607380.db2.gz HRDJYAHWSSVHDU-PWSUYJOCSA-N 0 3 386.221 0.737 20 0 GCADHN COc1cc(F)c(Br)cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000576361329 530607638 /nfs/dbraw/zinc/60/76/38/530607638.db2.gz PWOUEKICWZDNPH-VIFPVBQESA-N 0 3 396.282 0.860 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CCN1C[C@H](C)O ZINC000329185160 530607702 /nfs/dbraw/zinc/60/77/02/530607702.db2.gz GDEGHEJISKWFGI-SOUVJXGZSA-N 0 3 376.519 0.272 20 0 GCADHN O=S(=O)(CCNC[C@H](O)COCc1ccccc1F)N1CCSCC1 ZINC000576512517 530609162 /nfs/dbraw/zinc/60/91/62/530609162.db2.gz YYQDBBCZXNYOSX-HNNXBMFYSA-N 0 3 392.518 0.671 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(S(C)(=O)=O)c3)C[C@@H]21 ZINC000453917452 530609840 /nfs/dbraw/zinc/60/98/40/530609840.db2.gz MVRNHGLQIYBJJH-MFKMUULPSA-N 0 3 385.873 0.845 20 0 GCADHN CC(C(=O)NC1CCCCC1)S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000576528312 530609846 /nfs/dbraw/zinc/60/98/46/530609846.db2.gz FZTVPVAGIGUJIG-VIFPVBQESA-N 0 3 383.396 0.988 20 0 GCADHN COCCOC1(CNC(=O)NC[C@]2(N(C)C)CCSC2)CCOCC1 ZINC000454594679 530611475 /nfs/dbraw/zinc/61/14/75/530611475.db2.gz CVKQPTBCEPFOCX-MRXNPFEDSA-N 0 3 375.535 0.935 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)CCN2C1=O ZINC000576957493 530614247 /nfs/dbraw/zinc/61/42/47/530614247.db2.gz ODIYEZLCKDIJKN-MWLCHTKSSA-N 0 3 392.250 0.521 20 0 GCADHN Cc1ncsc1CCS(=O)(=O)NCC(=O)NCCN1CCCCCC1 ZINC000451581147 530584633 /nfs/dbraw/zinc/58/46/33/530584633.db2.gz PKCKGXJGGBVGFK-UHFFFAOYSA-N 0 3 388.559 0.906 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000573905310 530585199 /nfs/dbraw/zinc/58/51/99/530585199.db2.gz KKSYMQRHEXYXSH-QWRGUYRKSA-N 0 3 392.934 0.931 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)s1 ZINC000573960629 530585650 /nfs/dbraw/zinc/58/56/50/530585650.db2.gz CMFXOLBSPJEBAM-GFCCVEGCSA-N 0 3 383.499 0.707 20 0 GCADHN CN(C)C(=O)CCN1CCC(NC(=O)c2nn(C)cc2Br)CC1 ZINC000577010479 530614695 /nfs/dbraw/zinc/61/46/95/530614695.db2.gz LAXHRZQHSPVKBW-UHFFFAOYSA-N 0 3 386.294 0.855 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(Cl)c1 ZINC000574055164 530586056 /nfs/dbraw/zinc/58/60/56/530586056.db2.gz SFBKXJPPTZMMDV-PWSUYJOCSA-N 0 3 387.845 0.059 20 0 GCADHN CC[N@H+](CCO)CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000574088744 530587291 /nfs/dbraw/zinc/58/72/91/530587291.db2.gz AIVZTMPAVIBZSV-UHFFFAOYSA-N 0 3 398.312 0.702 20 0 GCADHN CC[N@@H+](CCO)CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000574088744 530587294 /nfs/dbraw/zinc/58/72/94/530587294.db2.gz AIVZTMPAVIBZSV-UHFFFAOYSA-N 0 3 398.312 0.702 20 0 GCADHN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000577651296 530623313 /nfs/dbraw/zinc/62/33/13/530623313.db2.gz FUYPRDATUJYXKE-WDEREUQCSA-N 0 3 382.873 0.771 20 0 GCADHN CN(C)S(=O)(=O)N[C@@H](CNC(=O)NC1CCN(C)CC1)C1CCCC1 ZINC000457446560 530623877 /nfs/dbraw/zinc/62/38/77/530623877.db2.gz CQPGVQUODYGWRX-HNNXBMFYSA-N 0 3 375.539 0.335 20 0 GCADHN CCCN1CCC(N(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330043907 530623952 /nfs/dbraw/zinc/62/39/52/530623952.db2.gz FJYFLIVEURTFRR-UHFFFAOYSA-N 0 3 395.591 0.794 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330053003 530624776 /nfs/dbraw/zinc/62/47/76/530624776.db2.gz PWVJTMHPWPYQEF-CABCVRRESA-N 0 3 395.591 0.698 20 0 GCADHN N[C@@H]1CN(C(=O)C(=O)NCc2n[nH]cc2Br)C[C@H]1c1ccccc1 ZINC000577833377 530625135 /nfs/dbraw/zinc/62/51/35/530625135.db2.gz FYCRQDGCDPJAMD-WCQYABFASA-N 0 3 392.257 0.742 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000457718491 530625369 /nfs/dbraw/zinc/62/53/69/530625369.db2.gz VUYBKRKZPCBSMY-KGLIPLIRSA-N 0 3 375.539 0.477 20 0 GCADHN CC(C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1)S(=O)(=O)C1CCOCC1 ZINC000330092176 530626268 /nfs/dbraw/zinc/62/62/68/530626268.db2.gz YKYCKUJTMIGGHQ-CKEIUWERSA-N 0 3 375.487 0.765 20 0 GCADHN CCN1CC[C@H](N(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000330159240 530627860 /nfs/dbraw/zinc/62/78/60/530627860.db2.gz QKECPKGROVLPRW-HOCLYGCPSA-N 0 3 395.591 0.650 20 0 GCADHN C[C@@H]1CN(CCC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000330210995 530630066 /nfs/dbraw/zinc/63/00/66/530630066.db2.gz CRVMPROAJJMDBV-IYBDPMFKSA-N 0 3 375.535 0.775 20 0 GCADHN CCC1(CC)CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CCS1(=O)=O ZINC000330257074 530630522 /nfs/dbraw/zinc/63/05/22/530630522.db2.gz QNAPMDMHIMNBAS-CYBMUJFWSA-N 0 3 395.543 0.785 20 0 GCADHN CN1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@H](CN)C1 ZINC000577951443 530634046 /nfs/dbraw/zinc/63/40/46/530634046.db2.gz SYUCEHJFSDGTRE-GFCCVEGCSA-N 0 3 394.273 0.260 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000331832765 530637065 /nfs/dbraw/zinc/63/70/65/530637065.db2.gz RDJLJDUFOLQFKF-XHDPSFHLSA-N 0 3 391.490 0.960 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)F)cc2)C1 ZINC000580658398 530617502 /nfs/dbraw/zinc/61/75/02/530617502.db2.gz FUHLTSHJWBMBAM-NSHDSACASA-N 0 3 397.469 0.460 20 0 GCADHN CN(C)[C@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)s2)C[C@@H]1O ZINC000577211252 530617985 /nfs/dbraw/zinc/61/79/85/530617985.db2.gz TXEUFAFWSWQKMH-UWVGGRQHSA-N 0 3 390.303 0.716 20 0 GCADHN O=C(C[NH2+]C[C@@H]1CCCO1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000577382489 530619795 /nfs/dbraw/zinc/61/97/95/530619795.db2.gz FJGJDKJIMRNPNI-LBPRGKRZSA-N 0 3 393.868 0.642 20 0 GCADHN CCc1cccc(OC[C@H](O)CNCCS(=O)(=O)N2CCSCC2)c1 ZINC000577385042 530619841 /nfs/dbraw/zinc/61/98/41/530619841.db2.gz CENPXPDFOKSDMH-MRXNPFEDSA-N 0 3 388.555 0.957 20 0 GCADHN Cn1cc(I)c(CNC(=O)[C@@H]2CN3CCN2CCC3)n1 ZINC000456507008 530619856 /nfs/dbraw/zinc/61/98/56/530619856.db2.gz NQPPLIVBKPCQNT-LBPRGKRZSA-N 0 3 389.241 0.031 20 0 GCADHN CS[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1N1CCCC1 ZINC000329819927 530621195 /nfs/dbraw/zinc/62/11/95/530621195.db2.gz GRMVAQDJTLULHW-CABCVRRESA-N 0 3 375.560 0.696 20 0 GCADHN CSC1(CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCN(C)CC1 ZINC000577493360 530621211 /nfs/dbraw/zinc/62/12/11/530621211.db2.gz AGQRGUOLQHJIQE-AWEZNQCLSA-N 0 3 392.591 0.785 20 0 GCADHN CCOC(=O)C[C@H](C)S(=O)(=O)C(C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000577513027 530621755 /nfs/dbraw/zinc/62/17/55/530621755.db2.gz JUOFSMTYBMTFJC-YNEHKIRRSA-N 0 3 397.515 0.167 20 0 GCADHN CC(C(=O)N(C)CCN1CCOC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000329889769 530622238 /nfs/dbraw/zinc/62/22/38/530622238.db2.gz FBIBOAPRFXVROV-CQSZACIVSA-N 0 3 376.519 0.538 20 0 GCADHN CCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000639645601 530680384 /nfs/dbraw/zinc/68/03/84/530680384.db2.gz JXMMBBXBDDVTTA-OAHLLOKOSA-N 0 3 375.535 0.806 20 0 GCADHN CN(C)[C@H]1CCCN(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)C1 ZINC000461547071 530644444 /nfs/dbraw/zinc/64/44/44/530644444.db2.gz RZUIBKXXQDBXKO-GJZGRUSLSA-N 0 3 375.539 0.383 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](N)CC(F)F)CC2)cc1 ZINC000498195818 530647171 /nfs/dbraw/zinc/64/71/71/530647171.db2.gz NDPVPFPFOFEQFR-ZDUSSCGKSA-N 0 3 377.413 0.511 20 0 GCADHN N[C@H](CC(F)F)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000498196263 530647402 /nfs/dbraw/zinc/64/74/02/530647402.db2.gz RXELDBUALDYLOT-SNVBAGLBSA-N 0 3 383.442 0.368 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC(F)(F)[C@H](CO)C1 ZINC000462152220 530648945 /nfs/dbraw/zinc/64/89/45/530648945.db2.gz SKZFBRXZSCDWHR-ZDUSSCGKSA-N 0 3 380.461 0.700 20 0 GCADHN COCCN(C(=O)NCC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000462508523 530652052 /nfs/dbraw/zinc/65/20/52/530652052.db2.gz CIFOICKAFRMFNW-CQSZACIVSA-N 0 3 393.575 0.659 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000332689947 530652748 /nfs/dbraw/zinc/65/27/48/530652748.db2.gz QAKFVBCEUVZLFB-GMTAPVOTSA-N 0 3 386.392 0.943 20 0 GCADHN CN(C)[C@]1(CNC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CCSC1 ZINC000333099733 530654807 /nfs/dbraw/zinc/65/48/07/530654807.db2.gz COAIRZJAGXDRCA-HOCLYGCPSA-N 0 3 390.575 0.633 20 0 GCADHN COc1ccccc1[C@H](C)S(=O)(=O)C(C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000463063496 530655547 /nfs/dbraw/zinc/65/55/47/530655547.db2.gz GYLODJYOILKJNV-AVGNSLFASA-N 0 3 389.495 0.863 20 0 GCADHN C[C@@H]1CC2(CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O)CC[NH2+]CC2 ZINC000333622234 530661370 /nfs/dbraw/zinc/66/13/70/530661370.db2.gz UNHFSRIOPGHKNY-SNVBAGLBSA-N 0 3 385.262 0.702 20 0 GCADHN C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)CCN(C2CC2)C1 ZINC000333771317 530662242 /nfs/dbraw/zinc/66/22/42/530662242.db2.gz RSCXXQZOUHXDOR-CQSZACIVSA-N 0 3 390.575 0.491 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000465471393 530666374 /nfs/dbraw/zinc/66/63/74/530666374.db2.gz FTOBPSXVFUPRTA-GFCCVEGCSA-N 0 3 390.531 0.648 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000468782810 530683339 /nfs/dbraw/zinc/68/33/39/530683339.db2.gz BAWPYFWCOBQURO-ZFWWWQNUSA-N 0 3 377.551 0.956 20 0 GCADHN CN(C)C1(CNC(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)CCC1 ZINC000580355254 530670315 /nfs/dbraw/zinc/67/03/15/530670315.db2.gz ISLROEHCYXPZSZ-AWEZNQCLSA-N 0 3 375.539 0.431 20 0 GCADHN CN(C)CCNC(=O)Cn1cc(NC(=O)Cn2cc(Br)cn2)cn1 ZINC000580372108 530671375 /nfs/dbraw/zinc/67/13/75/530671375.db2.gz IJKDTQVZOYZTER-UHFFFAOYSA-N 0 3 398.265 0.159 20 0 GCADHN CSC1(CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CCN(C)CC1 ZINC000580374625 530671383 /nfs/dbraw/zinc/67/13/83/530671383.db2.gz XGRDPNHFBPOVEV-UHFFFAOYSA-N 0 3 392.591 0.879 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCN(C)C2)c(C(=O)OC)s1 ZINC000532775609 530673807 /nfs/dbraw/zinc/67/38/07/530673807.db2.gz USRMFNTWSWMRNJ-SNVBAGLBSA-N 0 3 390.483 0.941 20 0 GCADHN CCOC(=O)[C@H]1CSCCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000532873886 530674442 /nfs/dbraw/zinc/67/44/42/530674442.db2.gz WTOSXVBKTVEOLY-DGCLKSJQSA-N 0 3 379.500 0.476 20 0 GCADHN CCOC(=O)[C@@H]1CSCCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000532873888 530674866 /nfs/dbraw/zinc/67/48/66/530674866.db2.gz WTOSXVBKTVEOLY-YPMHNXCESA-N 0 3 379.500 0.476 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000582232166 530678231 /nfs/dbraw/zinc/67/82/31/530678231.db2.gz MFDHCLVGQSZLKI-UHFFFAOYSA-N 0 3 387.527 0.616 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000563946977 530686570 /nfs/dbraw/zinc/68/65/70/530686570.db2.gz HGSUKAMSHHSBAB-FZMZJTMJSA-N 0 3 397.273 0.620 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000469276122 530687825 /nfs/dbraw/zinc/68/78/25/530687825.db2.gz JPJMCDALGZWEGJ-OAGGEKHMSA-N 0 3 375.535 0.664 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000470081045 530692812 /nfs/dbraw/zinc/69/28/12/530692812.db2.gz YTDVWDVWWHQPLM-HOTGVXAUSA-N 0 3 375.535 0.665 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000470080188 530692896 /nfs/dbraw/zinc/69/28/96/530692896.db2.gz UVURICROZPHVSN-GJZGRUSLSA-N 0 3 395.591 0.665 20 0 GCADHN C[C@H](c1cccc(Cl)c1)n1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000640992611 530693698 /nfs/dbraw/zinc/69/36/98/530693698.db2.gz XDFLAWRMLWJISA-GFCCVEGCSA-N 0 3 384.893 0.780 20 0 GCADHN C[C@H](CN)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000470451393 530694160 /nfs/dbraw/zinc/69/41/60/530694160.db2.gz JZSMZUUCGNOJPP-ZWNOBZJWSA-N 0 3 375.878 0.337 20 0 GCADHN O=C(Cn1cnc2ccc(Br)cc2c1=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368183343 530720579 /nfs/dbraw/zinc/72/05/79/530720579.db2.gz HNBBOYASXTUJGQ-QWRGUYRKSA-N 0 3 383.221 0.975 20 0 GCADHN O=S(=O)(NCc1cn(CCc2ccc(Cl)cc2)nn1)N1CCNCC1 ZINC000641034044 530697551 /nfs/dbraw/zinc/69/75/51/530697551.db2.gz XQUUOJONDVANRC-UHFFFAOYSA-N 0 3 384.893 0.414 20 0 GCADHN CN1CCC[C@@H](N2CCN(C(=O)Cn3cc(Br)ccc3=O)CC2)C1 ZINC000360963760 530701291 /nfs/dbraw/zinc/70/12/91/530701291.db2.gz ZRQKUPIONMVSFX-OAHLLOKOSA-N 0 3 397.317 0.849 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000360975827 530702344 /nfs/dbraw/zinc/70/23/44/530702344.db2.gz CMWZUDZVSZKESE-NEPJUHHUSA-N 0 3 388.515 0.319 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472087187 530702375 /nfs/dbraw/zinc/70/23/75/530702375.db2.gz FZFCFTDJYYPLHX-CABCVRRESA-N 0 3 394.607 0.190 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCC(N[C@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000362474077 530706479 /nfs/dbraw/zinc/70/64/79/530706479.db2.gz QKAKNQGMCQNYMD-CYBMUJFWSA-N 0 3 390.527 0.871 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000472882336 530708926 /nfs/dbraw/zinc/70/89/26/530708926.db2.gz RQLDHYOJYAMRDR-HNNXBMFYSA-N 0 3 391.877 0.111 20 0 GCADHN COC(=O)c1sccc1S(=O)(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000363065876 530709050 /nfs/dbraw/zinc/70/90/50/530709050.db2.gz HIQVKCFXCOTDFR-CYBMUJFWSA-N 0 3 387.527 0.935 20 0 GCADHN CCS[C@@H]1CCC[C@@H]1NCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000503460691 530709301 /nfs/dbraw/zinc/70/93/01/530709301.db2.gz KHSKMGHEYBGKPV-SOUVJXGZSA-N 0 3 378.560 0.912 20 0 GCADHN COC(=O)c1sccc1S(=O)(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000363065877 530709399 /nfs/dbraw/zinc/70/93/99/530709399.db2.gz HIQVKCFXCOTDFR-ZDUSSCGKSA-N 0 3 387.527 0.935 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000473259330 530710809 /nfs/dbraw/zinc/71/08/09/530710809.db2.gz DAXWHDCLKYVFKF-CJNGLKHVSA-N 0 3 389.543 0.720 20 0 GCADHN CC(C)NS(=O)(=O)CCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000473947297 530713824 /nfs/dbraw/zinc/71/38/24/530713824.db2.gz JCKCOSTZZOAWBY-UHFFFAOYSA-N 0 3 377.555 0.030 20 0 GCADHN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368219306 530721405 /nfs/dbraw/zinc/72/14/05/530721405.db2.gz ZUMWJBDWTRXMBQ-YDHLFZDLSA-N 0 3 389.518 0.903 20 0 GCADHN CN1CCC(CCO)(NC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000474199005 530715592 /nfs/dbraw/zinc/71/55/92/530715592.db2.gz PEFRUYFGWSSBPD-UHFFFAOYSA-N 0 3 388.262 0.735 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)N1CCc2sccc2C1 ZINC000367757112 530715780 /nfs/dbraw/zinc/71/57/80/530715780.db2.gz KSHZOWSWMRNLKA-LLVKDONJSA-N 0 3 379.525 0.871 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2cccnc2)C1 ZINC000349607394 530717895 /nfs/dbraw/zinc/71/78/95/530717895.db2.gz USSNBWUXMIQSNO-ZDUSSCGKSA-N 0 3 376.504 0.085 20 0 GCADHN Cc1cncc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCN(C)C2)c1 ZINC000349609232 530718774 /nfs/dbraw/zinc/71/87/74/530718774.db2.gz ZYSRSEGKZJWKAY-AWEZNQCLSA-N 0 3 390.531 0.393 20 0 GCADHN CCN1CCN(CCC(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)CC1 ZINC000469016616 530684683 /nfs/dbraw/zinc/68/46/83/530684683.db2.gz QCJYUWHYEGCGJZ-OAHLLOKOSA-N 0 3 386.587 0.491 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000370080755 530738112 /nfs/dbraw/zinc/73/81/12/530738112.db2.gz GUXARSAKOBIXDH-HNNXBMFYSA-N 0 3 381.564 0.548 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N2CCCN(S(C)(=O)=O)CC2)CCCO1 ZINC000370133995 530738911 /nfs/dbraw/zinc/73/89/11/530738911.db2.gz USDUCJUGRONQIV-OAHLLOKOSA-N 0 3 376.523 0.164 20 0 GCADHN COCCN(CCN(C)C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000370328046 530741083 /nfs/dbraw/zinc/74/10/83/530741083.db2.gz ZGJFARZFFBWRIB-UHFFFAOYSA-N 0 3 376.523 0.163 20 0 GCADHN C[NH+](C)CCOCC[N-]S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641416784 530741336 /nfs/dbraw/zinc/74/13/36/530741336.db2.gz ALOWGUBXZVDDPZ-UHFFFAOYSA-N 0 3 392.279 0.348 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000477191490 530741423 /nfs/dbraw/zinc/74/14/23/530741423.db2.gz UOMFMFXODOBZMP-OAHLLOKOSA-N 0 3 376.523 0.116 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000477426557 530743150 /nfs/dbraw/zinc/74/31/50/530743150.db2.gz XCWRHNXRPCHXHU-UHFFFAOYSA-N 0 3 377.551 0.911 20 0 GCADHN CC(C)NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000477466071 530743481 /nfs/dbraw/zinc/74/34/81/530743481.db2.gz KTGLYJJKAIMPLT-INIZCTEOSA-N 0 3 389.543 0.839 20 0 GCADHN CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000477469627 530743680 /nfs/dbraw/zinc/74/36/80/530743680.db2.gz IMLCCUVCWPRSAQ-OAHLLOKOSA-N 0 3 375.516 0.451 20 0 GCADHN CC(C)CN(C(=O)CNS(=O)(=O)CCOC(C)C)C1CCN(C)CC1 ZINC000477490376 530743969 /nfs/dbraw/zinc/74/39/69/530743969.db2.gz GLWCXPVMAWAYQU-UHFFFAOYSA-N 0 3 377.551 0.910 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)C(F)(F)F ZINC000368577339 530724919 /nfs/dbraw/zinc/72/49/19/530724919.db2.gz VVKVUPBLRZGFRH-WOPDTQHZSA-N 0 3 386.440 0.544 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)CCSC1 ZINC000579509687 530744301 /nfs/dbraw/zinc/74/43/01/530744301.db2.gz ZQUSUXTWPZRWFV-GXTWGEPZSA-N 0 3 384.468 0.986 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000475889939 530728581 /nfs/dbraw/zinc/72/85/81/530728581.db2.gz YMXJQMQJSBDTSC-UHFFFAOYSA-N 0 3 376.523 0.211 20 0 GCADHN COC(=O)C[C@@H]1CSCCN1CCN1CCSC[C@@H]1CC(=O)OC ZINC000475898070 530729057 /nfs/dbraw/zinc/72/90/57/530729057.db2.gz NREBMMMQMYMFFB-OKILXGFUSA-N 0 3 376.544 0.947 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000476041184 530729366 /nfs/dbraw/zinc/72/93/66/530729366.db2.gz NFVYZOUWCJAPFC-UHFFFAOYSA-N 0 3 376.523 0.163 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000578284687 530729409 /nfs/dbraw/zinc/72/94/09/530729409.db2.gz IBDYXPDPMOZQMY-RYUDHWBXSA-N 0 3 392.547 0.258 20 0 GCADHN CN(C)[C@]1(CNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)CCSC1 ZINC000579509689 530744438 /nfs/dbraw/zinc/74/44/38/530744438.db2.gz ZQUSUXTWPZRWFV-OCCSQVGLSA-N 0 3 384.468 0.986 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000369322693 530731992 /nfs/dbraw/zinc/73/19/92/530731992.db2.gz SGZANEJEHHJZGV-JKOKRWQUSA-N 0 3 391.490 0.945 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000476399283 530732463 /nfs/dbraw/zinc/73/24/63/530732463.db2.gz TZCIJMQMLGKJCT-CABCVRRESA-N 0 3 376.519 0.873 20 0 GCADHN C[C@H](CN1CCCCCC1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000476615154 530734917 /nfs/dbraw/zinc/73/49/17/530734917.db2.gz XJECIZFPNGURAF-CYBMUJFWSA-N 0 3 375.516 0.877 20 0 GCADHN CCN1CCC(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000476654601 530735425 /nfs/dbraw/zinc/73/54/25/530735425.db2.gz OGMOZYPKGSNGKK-OAHLLOKOSA-N 0 3 376.523 0.258 20 0 GCADHN O=C(NCCCNS(=O)(=O)c1ccccc1Cl)NC[C@@H]1CNCCO1 ZINC000418150686 530749929 /nfs/dbraw/zinc/74/99/29/530749929.db2.gz RBDYDEFEOMKFOX-LBPRGKRZSA-N 0 3 390.893 0.296 20 0 GCADHN CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000580791097 530751020 /nfs/dbraw/zinc/75/10/20/530751020.db2.gz FHLKQOOHADEHAM-CQSZACIVSA-N 0 3 389.543 0.995 20 0 GCADHN [NH3+]C1(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCC1 ZINC000418175865 530751220 /nfs/dbraw/zinc/75/12/20/530751220.db2.gz TZGJOJAPMGWSMS-UHFFFAOYSA-N 0 3 378.857 0.938 20 0 GCADHN Cc1cc(S(=O)(=O)NCCNC(=O)[C@@H]2CN3CCN2CCC3)c(C)s1 ZINC000371309010 530751561 /nfs/dbraw/zinc/75/15/61/530751561.db2.gz UPZPRJPHHKRUMW-AWEZNQCLSA-N 0 3 386.543 0.149 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000580904066 530752370 /nfs/dbraw/zinc/75/23/70/530752370.db2.gz ZVCNGLZTPMEAEQ-KCJUWKMLSA-N 0 3 379.360 0.360 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000580930259 530752625 /nfs/dbraw/zinc/75/26/25/530752625.db2.gz JSHOYQDJBKWJSK-OAHLLOKOSA-N 0 3 375.516 0.451 20 0 GCADHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000371561245 530754747 /nfs/dbraw/zinc/75/47/47/530754747.db2.gz HYQRRAOSUVMMNY-LSDHHAIUSA-N 0 3 390.575 0.491 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)CCOc3cccc(Br)c3)CCN2C1=O ZINC000581141860 530754789 /nfs/dbraw/zinc/75/47/89/530754789.db2.gz CMAULSNPXQYUTK-GXTWGEPZSA-N 0 3 382.258 0.988 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)[C@H](CN)C1 ZINC000581181307 530755344 /nfs/dbraw/zinc/75/53/44/530755344.db2.gz LATXTYANHFNBNM-OSAQELSMSA-N 0 3 395.301 0.523 20 0 GCADHN C[C@H]1NCCN(C(=O)NCc2nn(C)cc2I)[C@@H]1C ZINC000418254925 530755846 /nfs/dbraw/zinc/75/58/46/530755846.db2.gz LFJKJVUCKFQYPQ-RKDXNWHRSA-N 0 3 377.230 0.917 20 0 GCADHN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)C(=O)NC1CNC1 ZINC000581241349 530756026 /nfs/dbraw/zinc/75/60/26/530756026.db2.gz HGHGBFFETJKAIQ-UHFFFAOYSA-N 0 3 380.754 0.727 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479268086 530756845 /nfs/dbraw/zinc/75/68/45/530756845.db2.gz BYXJFNAXGWHKRT-UHFFFAOYSA-N 0 3 385.262 0.704 20 0 GCADHN CCS(=O)(=O)N1CC(CN[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000479450049 530757723 /nfs/dbraw/zinc/75/77/23/530757723.db2.gz FYKNUCYJKKYGHP-CYBMUJFWSA-N 0 3 389.543 0.883 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3cccc(I)c3)CCN2C1=O ZINC000582312471 530758526 /nfs/dbraw/zinc/75/85/26/530758526.db2.gz ZGKRFOFLHAFCAR-NWDGAFQWSA-N 0 3 385.205 0.675 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000641599680 530760435 /nfs/dbraw/zinc/76/04/35/530760435.db2.gz YOMDFWZCAADSSY-XHSDSOJGSA-N 0 3 375.535 0.520 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)C[C@H]1CCCO1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000641599091 530760544 /nfs/dbraw/zinc/76/05/44/530760544.db2.gz TVOXODMOVSZSLP-OAGGEKHMSA-N 0 3 375.535 0.662 20 0 GCADHN CC(C)C[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000641599091 530760547 /nfs/dbraw/zinc/76/05/47/530760547.db2.gz TVOXODMOVSZSLP-OAGGEKHMSA-N 0 3 375.535 0.662 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000372069673 530761938 /nfs/dbraw/zinc/76/19/38/530761938.db2.gz DSADDENIYGMQAS-CABCVRRESA-N 0 3 376.523 0.209 20 0 GCADHN O=C1N[C@@H]2CCCC[C@H]2CC1S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000581677964 530762012 /nfs/dbraw/zinc/76/20/12/530762012.db2.gz VJKNWDWMHVBHGR-IVZWLZJFSA-N 0 3 381.380 0.598 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418157287 530749395 /nfs/dbraw/zinc/74/93/95/530749395.db2.gz BIFSNOYIBFCNFN-IWIIMEHWSA-N 0 3 376.841 0.274 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](O)COCC(C)C ZINC000480674422 530769257 /nfs/dbraw/zinc/76/92/57/530769257.db2.gz XXECRBIDHIAMHB-OAHLLOKOSA-N 0 3 376.523 0.373 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000480804118 530771181 /nfs/dbraw/zinc/77/11/81/530771181.db2.gz MWYUHCDDQDJIKV-NSHDSACASA-N 0 3 380.536 0.163 20 0 GCADHN COc1ccccc1CS(=O)(=O)C(C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000642532817 530772095 /nfs/dbraw/zinc/77/20/95/530772095.db2.gz GHNDQRQDQMEVRZ-YPMHNXCESA-N 0 3 375.468 0.302 20 0 GCADHN COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480882528 530772420 /nfs/dbraw/zinc/77/24/20/530772420.db2.gz PISNOLWQWZIADQ-NSHDSACASA-N 0 3 382.433 0.537 20 0 GCADHN COc1ccccc1CS(=O)(=O)C(C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000642532814 530772473 /nfs/dbraw/zinc/77/24/73/530772473.db2.gz GHNDQRQDQMEVRZ-AAEUAGOBSA-N 0 3 375.468 0.302 20 0 GCADHN CCOCCCNC(=O)C(C)S(=O)(=O)Cc1csc(NC(C)=O)n1 ZINC000642533762 530772587 /nfs/dbraw/zinc/77/25/87/530772587.db2.gz UZVLGMGBJKIEAR-SNVBAGLBSA-N 0 3 377.488 0.948 20 0 GCADHN CCN1CCCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000372765575 530772611 /nfs/dbraw/zinc/77/26/11/530772611.db2.gz BCGLLZQQAWQLHN-HNNXBMFYSA-N 0 3 376.523 0.212 20 0 GCADHN CN(C)Cc1cccc(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000026854701 530773910 /nfs/dbraw/zinc/77/39/10/530773910.db2.gz UCYATCQJMOLFFF-UHFFFAOYSA-N 0 3 383.495 0.874 20 0 GCADHN CCCCNC(=O)[C@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481203765 530776070 /nfs/dbraw/zinc/77/60/70/530776070.db2.gz FCWDTTMJVAYCTE-GXTWGEPZSA-N 0 3 392.543 0.787 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1F ZINC000373060191 530776384 /nfs/dbraw/zinc/77/63/84/530776384.db2.gz WJFMEJDLBGXGCW-ABAIWWIYSA-N 0 3 391.490 0.960 20 0 GCADHN CCN1CCN(CCCNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000041441669 530777264 /nfs/dbraw/zinc/77/72/64/530777264.db2.gz ZIOJOJGWBDOSFM-UHFFFAOYSA-N 0 3 385.306 0.755 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000582377573 530777718 /nfs/dbraw/zinc/77/77/18/530777718.db2.gz NSHYKOPJSXLECV-RDJZCZTQSA-N 0 3 375.535 0.952 20 0 GCADHN CC(C(=O)N1CCCCCC1)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481472663 530778051 /nfs/dbraw/zinc/77/80/51/530778051.db2.gz MVLHEYHPASLMMG-LBPRGKRZSA-N 0 3 388.515 0.940 20 0 GCADHN CC(C(=O)NCC(F)(F)F)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481485120 530778666 /nfs/dbraw/zinc/77/86/66/530778666.db2.gz WZZDEJDYIXZZJM-ZETCQYMHSA-N 0 3 388.393 0.215 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NCC2(CS(C)(=O)=O)CC2)CC1 ZINC000481544389 530778834 /nfs/dbraw/zinc/77/88/34/530778834.db2.gz MESHTKGOJTWURV-UHFFFAOYSA-N 0 3 375.535 1.000 20 0 GCADHN COc1cccc(CS(=O)(=O)C(C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000046140136 530780713 /nfs/dbraw/zinc/78/07/13/530780713.db2.gz QURGVIPXKUZBIT-AAEUAGOBSA-N 0 3 375.468 0.302 20 0 GCADHN CC(C(=O)N(CCN(C)C)C[C@@H]1CCCO1)S(=O)(=O)C1CCOCC1 ZINC000481802054 530781349 /nfs/dbraw/zinc/78/13/49/530781349.db2.gz BKHZGIGSUAXUCT-GJZGRUSLSA-N 0 3 376.519 0.538 20 0 GCADHN CCN(CC)CCN(CC(C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000481868102 530781581 /nfs/dbraw/zinc/78/15/81/530781581.db2.gz MNZNLQZVURMHKC-UHFFFAOYSA-N 0 3 398.595 0.108 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000373773553 530784819 /nfs/dbraw/zinc/78/48/19/530784819.db2.gz AOLWUTNJQLJTFF-HNNXBMFYSA-N 0 3 375.539 0.479 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000482542654 530785308 /nfs/dbraw/zinc/78/53/08/530785308.db2.gz ZHGHGMBBWJIXLD-UHFFFAOYSA-N 0 3 384.474 0.755 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1nc2ncc(Br)cn2n1 ZINC000061649025 530786098 /nfs/dbraw/zinc/78/60/98/530786098.db2.gz UQEMKRVXPXJRHB-QWRGUYRKSA-N 0 3 381.234 0.480 20 0 GCADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000581935854 530766684 /nfs/dbraw/zinc/76/66/84/530766684.db2.gz JXHCREUFXXQQGL-LBPRGKRZSA-N 0 3 387.527 0.568 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCCN1C1CCCCC1 ZINC000373903632 530787231 /nfs/dbraw/zinc/78/72/31/530787231.db2.gz LOZQFAUNGRYKOZ-INIZCTEOSA-N 0 3 395.591 0.984 20 0 GCADHN CC(C)O[C@@]1(CS(=O)(=O)NCCCN2CCCN(C)CC2)CCOC1 ZINC000641651043 530767669 /nfs/dbraw/zinc/76/76/69/530767669.db2.gz ZIRJVJPBQTYONH-KRWDZBQOSA-N 0 3 377.551 0.518 20 0 GCADHN CC(C(=O)N1CCO[C@@H](COCC2CC2)C1)S(=O)(=O)C1CCOCC1 ZINC000485554183 530799536 /nfs/dbraw/zinc/79/95/36/530799536.db2.gz ZHEATUJQUXQRPG-UKRRQHHQSA-N 0 3 375.487 0.623 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(Br)n1 ZINC000375296643 530800576 /nfs/dbraw/zinc/80/05/76/530800576.db2.gz RDJQZVJIFDPGEB-MNOVXSKESA-N 0 3 383.246 0.762 20 0 GCADHN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)CCCS(N)(=O)=O ZINC000485831990 530800717 /nfs/dbraw/zinc/80/07/17/530800717.db2.gz IKPLAHJULPNROS-CYBMUJFWSA-N 0 3 375.516 0.898 20 0 GCADHN COCCN(C[C@@H](O)C(F)(F)F)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000655197285 530804675 /nfs/dbraw/zinc/80/46/75/530804675.db2.gz AQLFBWIRKWQPLM-ZYHUDNBSSA-N 0 3 391.408 0.367 20 0 GCADHN CN(CC(=O)N[C@@H](CO)CN1CCCC1)C(=O)c1ccc(Br)o1 ZINC000646224190 530788619 /nfs/dbraw/zinc/78/86/19/530788619.db2.gz QJOBLZQGEIQMBG-LLVKDONJSA-N 0 3 388.262 0.687 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CN1CCCS1(=O)=O ZINC000065937581 530789572 /nfs/dbraw/zinc/78/95/72/530789572.db2.gz QBVLJXJDULMFHT-UHFFFAOYSA-N 0 3 375.441 0.891 20 0 GCADHN COCCOCCOCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000374706237 530795011 /nfs/dbraw/zinc/79/50/11/530795011.db2.gz UMSUUKCXVMINRG-SJORKVTESA-N 0 3 378.535 0.943 20 0 GCADHN CC(C)(C)[N@@H+]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000069047488 530795610 /nfs/dbraw/zinc/79/56/10/530795610.db2.gz AEVIZMMTGWVLSL-UHFFFAOYSA-N 0 3 387.278 0.632 20 0 GCADHN CC(C)(C)[N@H+]1CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000069047488 530795613 /nfs/dbraw/zinc/79/56/13/530795613.db2.gz AEVIZMMTGWVLSL-UHFFFAOYSA-N 0 3 387.278 0.632 20 0 GCADHN C[C@H]1CN(CCCNC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CCCO1 ZINC000490365094 530827479 /nfs/dbraw/zinc/82/74/79/530827479.db2.gz IJOXJQRGHZHRKP-GJZGRUSLSA-N 0 3 376.523 0.163 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N2CCC(CS(C)(=O)=O)CC2)CCCO1 ZINC000490390626 530828015 /nfs/dbraw/zinc/82/80/15/530828015.db2.gz UJODDUYXKGNGBG-OAHLLOKOSA-N 0 3 375.535 0.954 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000490439200 530828368 /nfs/dbraw/zinc/82/83/68/530828368.db2.gz MKEIEXZEFPPPNI-LLVKDONJSA-N 0 3 379.433 0.014 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377769229 530829388 /nfs/dbraw/zinc/82/93/88/530829388.db2.gz BGGYBWQKYPOGIK-KBPBESRZSA-N 0 3 387.889 0.598 20 0 GCADHN COCCCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2cnn(C)c2)n1 ZINC000620998293 530831677 /nfs/dbraw/zinc/83/16/77/530831677.db2.gz KHBJYBMMNVHEON-NSHDSACASA-N 0 3 386.499 1.000 20 0 GCADHN COCCCS(=O)(=O)NCCN1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000377957859 530832143 /nfs/dbraw/zinc/83/21/43/530832143.db2.gz TZKSBATTXKFLGK-YESZJQIVSA-N 0 3 377.551 0.516 20 0 GCADHN CC(C)[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCN1 ZINC000621149016 530832716 /nfs/dbraw/zinc/83/27/16/530832716.db2.gz ADGLIOMUXGUDSU-ZDUSSCGKSA-N 0 3 387.527 0.839 20 0 GCADHN CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000491531962 530833641 /nfs/dbraw/zinc/83/36/41/530833641.db2.gz OMYPVKVKYOCTKK-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000491531962 530833645 /nfs/dbraw/zinc/83/36/45/530833645.db2.gz OMYPVKVKYOCTKK-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CCCCN(C)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC ZINC000491573833 530833753 /nfs/dbraw/zinc/83/37/53/530833753.db2.gz UJUDAOPSGIVKGX-UHFFFAOYSA-N 0 3 377.532 0.995 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000491581331 530833840 /nfs/dbraw/zinc/83/38/40/530833840.db2.gz LJZHUXFVDPEPRN-KGLIPLIRSA-N 0 3 389.543 0.946 20 0 GCADHN CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000491531960 530833910 /nfs/dbraw/zinc/83/39/10/530833910.db2.gz OMYPVKVKYOCTKK-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000491531960 530833914 /nfs/dbraw/zinc/83/39/14/530833914.db2.gz OMYPVKVKYOCTKK-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN O=C(Cn1cc(Br)ccc1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000378161004 530834661 /nfs/dbraw/zinc/83/46/61/530834661.db2.gz VVPHPRPWABKXRV-CQSZACIVSA-N 0 3 384.274 0.980 20 0 GCADHN CC(C)OCCCNC(=O)C1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000492167229 530835744 /nfs/dbraw/zinc/83/57/44/530835744.db2.gz GUJKFXXIVVLTFI-UHFFFAOYSA-N 0 3 377.551 0.911 20 0 GCADHN COCCN(CCN(C)C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000486819595 530807724 /nfs/dbraw/zinc/80/77/24/530807724.db2.gz HCZRQVPZOJLSGJ-NSHDSACASA-N 0 3 392.444 0.028 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CC1 ZINC000618540511 530807735 /nfs/dbraw/zinc/80/77/35/530807735.db2.gz YTRYWJAFIDTDDT-ZDUSSCGKSA-N 0 3 388.559 0.861 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)C(F)(F)F ZINC000486919920 530809407 /nfs/dbraw/zinc/80/94/07/530809407.db2.gz NHDHMQPECNJVDV-RYUDHWBXSA-N 0 3 388.456 0.792 20 0 GCADHN C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000618993018 530809999 /nfs/dbraw/zinc/80/99/99/530809999.db2.gz WMHUFIRDSOGZBI-LLVKDONJSA-N 0 3 387.278 0.948 20 0 GCADHN CNS(=O)(=O)CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000376283592 530812244 /nfs/dbraw/zinc/81/22/44/530812244.db2.gz NKURKKXWZGDMLP-KBPBESRZSA-N 0 3 376.523 0.066 20 0 GCADHN CNS(=O)(=O)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000376283594 530812269 /nfs/dbraw/zinc/81/22/69/530812269.db2.gz NKURKKXWZGDMLP-ZIAGYGMSSA-N 0 3 376.523 0.066 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)CCSC1 ZINC000487592996 530813641 /nfs/dbraw/zinc/81/36/41/530813641.db2.gz VSWAZHMCMMRUIJ-GOEBONIOSA-N 0 3 390.575 0.633 20 0 GCADHN O=S(=O)(CC1CCS(=O)(=O)CC1)N1CC[C@@H](CN2CCCCC2)C1 ZINC000376360798 530813807 /nfs/dbraw/zinc/81/38/07/530813807.db2.gz USQTUGBYMWEODZ-INIZCTEOSA-N 0 3 378.560 0.949 20 0 GCADHN CC(C(=O)NC[C@@H](O)CN1CCC(C)CC1)S(=O)(=O)C1CCOCC1 ZINC000487758288 530814502 /nfs/dbraw/zinc/81/45/02/530814502.db2.gz CINWXKOJJGKHAI-HUUCEWRRSA-N 0 3 376.519 0.178 20 0 GCADHN CC(C(=O)NC[C@H](O)CN1CCC(C)CC1)S(=O)(=O)C1CCOCC1 ZINC000487758287 530814573 /nfs/dbraw/zinc/81/45/73/530814573.db2.gz CINWXKOJJGKHAI-GJZGRUSLSA-N 0 3 376.519 0.178 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000488814592 530818849 /nfs/dbraw/zinc/81/88/49/530818849.db2.gz ALMCULVDJDIJGO-SQWLQELKSA-N 0 3 375.535 0.662 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000488814586 530819136 /nfs/dbraw/zinc/81/91/36/530819136.db2.gz ALMCULVDJDIJGO-LZWOXQAQSA-N 0 3 375.535 0.662 20 0 GCADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1CCN(CCCOC)CC1 ZINC000489138592 530820858 /nfs/dbraw/zinc/82/08/58/530820858.db2.gz KGWHFGFEKFBHCT-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCn3c(Br)cnc3C2)CC1=O ZINC000377142980 530822719 /nfs/dbraw/zinc/82/27/19/530822719.db2.gz RPLHAYNDUZKROH-NSHDSACASA-N 0 3 384.278 0.398 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)CC2(C(=O)OC)CCCCC2)CC1 ZINC000489659115 530823933 /nfs/dbraw/zinc/82/39/33/530823933.db2.gz DWACMVDXILPORC-UHFFFAOYSA-N 0 3 375.535 0.667 20 0 GCADHN CCCCN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000489684973 530824595 /nfs/dbraw/zinc/82/45/95/530824595.db2.gz KKAVWJBMXKLTFK-UHFFFAOYSA-N 0 3 377.532 0.947 20 0 GCADHN CSCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000489868278 530824975 /nfs/dbraw/zinc/82/49/75/530824975.db2.gz DPTILXMZGCFAAG-CYBMUJFWSA-N 0 3 393.481 0.878 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[C@H](N2CCCC2)C1)C(F)(F)F ZINC000377349930 530825659 /nfs/dbraw/zinc/82/56/59/530825659.db2.gz ZYTHNWKIIVLTDV-NWDGAFQWSA-N 0 3 386.440 0.688 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@@H](CO)C1CC1 ZINC000582666713 530846677 /nfs/dbraw/zinc/84/66/77/530846677.db2.gz YVXDYMSBBMSJNI-AWEZNQCLSA-N 0 3 390.527 0.319 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCN1CCCC1 ZINC000496151454 530849455 /nfs/dbraw/zinc/84/94/55/530849455.db2.gz NXHBMNKJLDTLOZ-UHFFFAOYSA-N 0 3 387.527 0.524 20 0 GCADHN CSCC[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000496409990 530849970 /nfs/dbraw/zinc/84/99/70/530849970.db2.gz FLMCXEYGOBMGGV-LBPRGKRZSA-N 0 3 393.556 0.466 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646380242 530850289 /nfs/dbraw/zinc/85/02/89/530850289.db2.gz UIMLUVRFACGGJH-VXGBXAGGSA-N 0 3 399.289 0.950 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646380233 530850691 /nfs/dbraw/zinc/85/06/91/530850691.db2.gz UIMLUVRFACGGJH-NEPJUHHUSA-N 0 3 399.289 0.950 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@H](C)CS(C)(=O)=O)CC1 ZINC000498763127 530851090 /nfs/dbraw/zinc/85/10/90/530851090.db2.gz KTTGMIVHPFGKJG-SNVBAGLBSA-N 0 3 378.520 0.202 20 0 GCADHN O=C(N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)[C@@]1(F)CCNC1 ZINC000178334499 530851222 /nfs/dbraw/zinc/85/12/22/530851222.db2.gz QJBVTIJVOVPNHD-CYBMUJFWSA-N 0 3 381.882 0.936 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC000498807801 530852037 /nfs/dbraw/zinc/85/20/37/530852037.db2.gz OSTUQYOZAXDAFJ-KOLCDFICSA-N 0 3 381.422 0.571 20 0 GCADHN COC1CCN(S(=O)(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000656938072 530861793 /nfs/dbraw/zinc/86/17/93/530861793.db2.gz IZMPBCAXCXIUIL-IAGOWNOFSA-N 0 3 375.535 0.700 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(Cl)n1 ZINC000189734974 530866553 /nfs/dbraw/zinc/86/65/53/530866553.db2.gz GHQQCYVIBGAIKS-ZDUSSCGKSA-N 0 3 386.905 0.971 20 0 GCADHN C[C@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)N1CCCC[C@H]1C ZINC000502173345 530873646 /nfs/dbraw/zinc/87/36/46/530873646.db2.gz QRKGSBAYXLEVTE-HUUCEWRRSA-N 0 3 392.591 0.927 20 0 GCADHN CCN(CCN)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000627314807 530840258 /nfs/dbraw/zinc/84/02/58/530840258.db2.gz NSJVXTKPAFHOHP-UHFFFAOYSA-N 0 3 382.262 0.829 20 0 GCADHN CC(C)N(CCCNC(=O)CN[C@]1(C)CCO[C@@H]1C1CC1)S(C)(=O)=O ZINC000378649374 530840603 /nfs/dbraw/zinc/84/06/03/530840603.db2.gz MAMZHTXYXIOZKZ-IAGOWNOFSA-N 0 3 375.535 0.710 20 0 GCADHN Cc1cc(Br)ccc1CN(C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000582480648 530844074 /nfs/dbraw/zinc/84/40/74/530844074.db2.gz FXJUUAMQTLXLFY-OAHLLOKOSA-N 0 3 397.317 0.817 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)CCN2C1=O ZINC000582557344 530845706 /nfs/dbraw/zinc/84/57/06/530845706.db2.gz MLNQSWWFWBWLDF-CMPLNLGQSA-N 0 3 396.241 0.604 20 0 GCADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000670396303 530900047 /nfs/dbraw/zinc/90/00/47/530900047.db2.gz UVIWMJPQIKINBM-UKRRQHHQSA-N 0 3 377.551 0.644 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)NCCCN(C)CCOC)CC1 ZINC000504589534 530890611 /nfs/dbraw/zinc/89/06/11/530890611.db2.gz MFPGDWKCDHZWFI-UHFFFAOYSA-N 0 3 378.539 0.458 20 0 GCADHN COc1ncc([C@@H](C)NCCN2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000671295851 530893039 /nfs/dbraw/zinc/89/30/39/530893039.db2.gz BIORDTUUISWEPW-GFCCVEGCSA-N 0 3 376.910 0.971 20 0 GCADHN C[NH+](C)C1(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCOCC1 ZINC000506006255 530896180 /nfs/dbraw/zinc/89/61/80/530896180.db2.gz GDWUELWCUUXWJP-UHFFFAOYSA-N 0 3 395.934 0.907 20 0 GCADHN CN(C)CCn1cc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)cn1 ZINC000622405780 530897538 /nfs/dbraw/zinc/89/75/38/530897538.db2.gz PZHZHDLJAKTSLD-UHFFFAOYSA-N 0 3 385.515 0.850 20 0 GCADHN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510792254 530930120 /nfs/dbraw/zinc/93/01/20/530930120.db2.gz RBAAAYPPQMTZIB-IHRRRGAJSA-N 0 3 377.507 0.140 20 0 GCADHN COCCNCCNC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000418504217 530930486 /nfs/dbraw/zinc/93/04/86/530930486.db2.gz ALESTRFYTRJXIR-AWEZNQCLSA-N 0 3 399.289 0.868 20 0 GCADHN O=C(NC[C@H](CO)Cc1ccc(Br)cc1)NC[C@H]1CNCCO1 ZINC000418762676 530934826 /nfs/dbraw/zinc/93/48/26/530934826.db2.gz JEMCFVRIYYGYSB-UKRRQHHQSA-N 0 3 386.290 0.888 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000610679330 530919294 /nfs/dbraw/zinc/91/92/94/530919294.db2.gz OFLCYOSCGPFXJU-LBPRGKRZSA-N 0 3 388.515 0.330 20 0 GCADHN Cc1cc(N2CC[C@H](Nc3nc(N)nc(N)n3)C2=O)ccc1Br ZINC000624105113 530919551 /nfs/dbraw/zinc/91/95/51/530919551.db2.gz CFBWZSGYVVVMKU-JTQLQIEISA-N 0 3 378.234 0.407 20 0 GCADHN COCCCN1CCC(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000509802629 530921561 /nfs/dbraw/zinc/92/15/61/530921561.db2.gz HTNKITFPDCVXLQ-AWEZNQCLSA-N 0 3 376.523 0.068 20 0 GCADHN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC1CNC1 ZINC000517101652 530957952 /nfs/dbraw/zinc/95/79/52/530957952.db2.gz KNVYGANAKUOACZ-CQSZACIVSA-N 0 3 398.301 0.991 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000419434340 530958277 /nfs/dbraw/zinc/95/82/77/530958277.db2.gz IZOAVBRSDGIJQI-JTQLQIEISA-N 0 3 385.262 0.101 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000419367073 530958313 /nfs/dbraw/zinc/95/83/13/530958313.db2.gz WGGLNYQIYHSCFU-NSHDSACASA-N 0 3 399.289 0.491 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419460576 530958591 /nfs/dbraw/zinc/95/85/91/530958591.db2.gz JBXLGOUNERGPRA-LBPRGKRZSA-N 0 3 396.285 0.702 20 0 GCADHN CCCC[C@H](CN)NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419495170 530958890 /nfs/dbraw/zinc/95/88/90/530958890.db2.gz KDCACZQPTXJAOY-GFCCVEGCSA-N 0 3 390.531 0.119 20 0 GCADHN CC(C)(CNC(=O)C(=O)NC[C@H]1CNCCO1)c1cccc(Br)c1 ZINC000419520221 530958919 /nfs/dbraw/zinc/95/89/19/530958919.db2.gz HEARUIKLPICBRS-CQSZACIVSA-N 0 3 398.301 0.948 20 0 GCADHN C[C@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N(CCN)CCO ZINC000419485501 530959102 /nfs/dbraw/zinc/95/91/02/530959102.db2.gz YTOVEHNKEOPTNS-SNVBAGLBSA-N 0 3 390.253 0.415 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NCCc1ccc(I)s1 ZINC000419584669 530960378 /nfs/dbraw/zinc/96/03/78/530960378.db2.gz PEVRIOIREIRMOV-SSDOTTSWSA-N 0 3 381.239 0.475 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000419641323 530960522 /nfs/dbraw/zinc/96/05/22/530960522.db2.gz HZCQAVYVLPAWTJ-DZGCQCFKSA-N 0 3 395.301 0.998 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C1CC1 ZINC000419641327 530960529 /nfs/dbraw/zinc/96/05/29/530960529.db2.gz HZCQAVYVLPAWTJ-ZFWWWQNUSA-N 0 3 395.301 0.998 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419642103 530960680 /nfs/dbraw/zinc/96/06/80/530960680.db2.gz IDWHZSFAJBJLCO-WCQYABFASA-N 0 3 383.290 0.950 20 0 GCADHN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)C(=O)N1CCCNCC1 ZINC000419658833 530960958 /nfs/dbraw/zinc/96/09/58/530960958.db2.gz XWRSRZFPSXJJNE-AWEZNQCLSA-N 0 3 395.301 0.966 20 0 GCADHN CN(C)CCn1nnnc1SCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000517399416 530961253 /nfs/dbraw/zinc/96/12/53/530961253.db2.gz BQYJQLZWUHNVKA-UHFFFAOYSA-N 0 3 386.503 0.905 20 0 GCADHN COCCN(CCOC)S(=O)(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000517414439 530961284 /nfs/dbraw/zinc/96/12/84/530961284.db2.gz QCOJZKIRFDWTCC-UHFFFAOYSA-N 0 3 381.539 0.305 20 0 GCADHN CN(CCN)C(=O)C(=O)NCc1ccc(Cl)cc1I ZINC000419764139 530962224 /nfs/dbraw/zinc/96/22/24/530962224.db2.gz AXDPLDINZHGTRD-UHFFFAOYSA-N 0 3 395.628 0.978 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000632238717 530963588 /nfs/dbraw/zinc/96/35/88/530963588.db2.gz QYUCWODVZSBIKZ-UHFFFAOYSA-N 0 3 387.453 0.960 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)CC2(C(=O)OC)CCCC2)CC1 ZINC000521118540 530964028 /nfs/dbraw/zinc/96/40/28/530964028.db2.gz ZVFSOMXMGLQJFX-HNNXBMFYSA-N 0 3 375.535 0.665 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000420019452 530964291 /nfs/dbraw/zinc/96/42/91/530964291.db2.gz QWXYSOHGWRTXMW-JTQLQIEISA-N 0 3 389.319 0.618 20 0 GCADHN CCN(C(=O)C(=O)N[C@H](CN)C1CCCCC1)[C@@H](C)CS(=O)(=O)CC ZINC000419961727 530964481 /nfs/dbraw/zinc/96/44/81/530964481.db2.gz GEYMUFWSZFHKII-DZGCQCFKSA-N 0 3 375.535 0.682 20 0 GCADHN CC(C)[C@@H](N)CNC(=O)C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000419971355 530964486 /nfs/dbraw/zinc/96/44/86/530964486.db2.gz GEDJKLOWFDBLNB-QWHCGFSZSA-N 0 3 387.889 0.726 20 0 GCADHN COc1ccc(Br)c(CNC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000418790380 530935741 /nfs/dbraw/zinc/93/57/41/530935741.db2.gz XUYKYMYLWMGSFR-GFCCVEGCSA-N 0 3 386.246 0.179 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418819453 530936780 /nfs/dbraw/zinc/93/67/80/530936780.db2.gz DGSQPXZZKLCGRD-VHRBIJSZSA-N 0 3 382.258 0.526 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418819452 530937017 /nfs/dbraw/zinc/93/70/17/530937017.db2.gz DGSQPXZZKLCGRD-SCDSUCTJSA-N 0 3 382.258 0.526 20 0 GCADHN CCC(CC)[C@H](CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1)N1CCCC1 ZINC000511431267 530937415 /nfs/dbraw/zinc/93/74/15/530937415.db2.gz QZNGDYNYKYEUKJ-CVEARBPZSA-N 0 3 375.535 1.000 20 0 GCADHN Cc1cc(CNC(=O)C(=O)N[C@H](C)CN)ccc1I ZINC000418828992 530938115 /nfs/dbraw/zinc/93/81/15/530938115.db2.gz MUHHKYPODUKREZ-SECBINFHSA-N 0 3 375.210 0.679 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(C)CCN)c1cc2c(cc1Br)OCCO2 ZINC000418830976 530938235 /nfs/dbraw/zinc/93/82/35/530938235.db2.gz YDHCGNBWTDLJDD-SECBINFHSA-N 0 3 386.246 0.815 20 0 GCADHN O=S(=O)(NC[C@H]1CNCCO1)c1ccc(I)cc1 ZINC000134261533 530942619 /nfs/dbraw/zinc/94/26/19/530942619.db2.gz XBXVMJBCQPUIEB-SNVBAGLBSA-N 0 3 382.223 0.558 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N(C)[C@H](C)C[S@](C)=O)CC1 ZINC000131198192 530942848 /nfs/dbraw/zinc/94/28/48/530942848.db2.gz FBNCSZAMJVUTTO-QVQLBTGDSA-N 0 3 376.548 0.878 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000512389394 530942903 /nfs/dbraw/zinc/94/29/03/530942903.db2.gz LHGOAXUWATVJJR-HZPDHXFCSA-N 0 3 375.535 0.544 20 0 GCADHN COCCN(C)CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000171128140 530943658 /nfs/dbraw/zinc/94/36/58/530943658.db2.gz IGUXPMQAGIPHLL-UHFFFAOYSA-N 0 3 397.273 0.853 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000512565151 530943834 /nfs/dbraw/zinc/94/38/34/530943834.db2.gz ORCUBZDTHDVKGB-GHMZBOCLSA-N 0 3 397.544 0.381 20 0 GCADHN CN(C)CCOCCNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000613284917 530945040 /nfs/dbraw/zinc/94/50/40/530945040.db2.gz KFHPZYLHDHEVBJ-UHFFFAOYSA-N 0 3 383.250 0.733 20 0 GCADHN O=S(=O)(CCCN1CCCC1)NCCNS(=O)(=O)c1ccccc1 ZINC000631710948 530945492 /nfs/dbraw/zinc/94/54/92/530945492.db2.gz YFRMNUFXJXDZIP-UHFFFAOYSA-N 0 3 375.516 0.370 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000420035163 530965322 /nfs/dbraw/zinc/96/53/22/530965322.db2.gz YGKXXJHWWZNNED-NSHDSACASA-N 0 3 397.273 0.197 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418942002 530951295 /nfs/dbraw/zinc/95/12/95/530951295.db2.gz LEPUCJJQTUWOBX-AWEZNQCLSA-N 0 3 384.274 0.905 20 0 GCADHN CN(C1CC[NH2+]CC1)S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000631918819 530951423 /nfs/dbraw/zinc/95/14/23/530951423.db2.gz NAVGZCCGVWFGFS-CQSZACIVSA-N 0 3 386.905 0.964 20 0 GCADHN O=C(CCNC(=O)C(=O)N1CCCNCC1)Nc1ccc(Br)cc1 ZINC000418954102 530952086 /nfs/dbraw/zinc/95/20/86/530952086.db2.gz XDFWBHOFNGNZQE-UHFFFAOYSA-N 0 3 397.273 0.716 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC1 ZINC000420024499 530965425 /nfs/dbraw/zinc/96/54/25/530965425.db2.gz ALKZDEKFEKUWLM-ZDUSSCGKSA-N 0 3 386.283 0.891 20 0 GCADHN C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419059751 530953898 /nfs/dbraw/zinc/95/38/98/530953898.db2.gz YFVULIXIQAKLIJ-DGCLKSJQSA-N 0 3 384.274 0.601 20 0 GCADHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3c[nH]nc3C(F)(F)F)CC2)C1 ZINC000631975604 530953867 /nfs/dbraw/zinc/95/38/67/530953867.db2.gz HQPUIDWLPBUJGZ-NSHDSACASA-N 0 3 381.424 0.829 20 0 GCADHN CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419051687 530954033 /nfs/dbraw/zinc/95/40/33/530954033.db2.gz GJRVMAFQXBRRDQ-UONOGXRCSA-N 0 3 398.301 0.991 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CCOCC1 ZINC000631968006 530954285 /nfs/dbraw/zinc/95/42/85/530954285.db2.gz PWXQJRBPUIDRAU-UHFFFAOYSA-N 0 3 385.511 0.989 20 0 GCADHN C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419059749 530954342 /nfs/dbraw/zinc/95/43/42/530954342.db2.gz YFVULIXIQAKLIJ-AAEUAGOBSA-N 0 3 384.274 0.601 20 0 GCADHN O=C(NCCc1ccc(Br)s1)C(=O)NC[C@H]1CNCCO1 ZINC000419114765 530955304 /nfs/dbraw/zinc/95/53/04/530955304.db2.gz NAAVLHJXGXUDFN-SECBINFHSA-N 0 3 376.276 0.274 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000419161671 530955329 /nfs/dbraw/zinc/95/53/29/530955329.db2.gz FAWAQNWKIKUGIM-GFCCVEGCSA-N 0 3 397.317 0.993 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NCCOc1ccc(I)cc1 ZINC000419167896 530955946 /nfs/dbraw/zinc/95/59/46/530955946.db2.gz DPFMCDWIIDZKDB-SECBINFHSA-N 0 3 391.209 0.250 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000419198230 530956078 /nfs/dbraw/zinc/95/60/78/530956078.db2.gz KPPYYCSZRYNNOK-NSHDSACASA-N 0 3 399.289 0.365 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000419164506 530956089 /nfs/dbraw/zinc/95/60/89/530956089.db2.gz MDBXXUAWJGKYLQ-UHFFFAOYSA-N 0 3 378.256 0.406 20 0 GCADHN O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)C(=O)N1CCCNCC1 ZINC000419178520 530956429 /nfs/dbraw/zinc/95/64/29/530956429.db2.gz BQSVIOYVHJEJJL-AWEZNQCLSA-N 0 3 395.301 0.966 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419186567 530956714 /nfs/dbraw/zinc/95/67/14/530956714.db2.gz MEHQYFDRUMHPJC-YPMHNXCESA-N 0 3 383.290 0.950 20 0 GCADHN CO[C@@H](CC(C)C)CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000420688232 530972585 /nfs/dbraw/zinc/97/25/85/530972585.db2.gz FDPDMLGCXUQKMJ-HOTGVXAUSA-N 0 3 375.535 0.616 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000420754074 530973198 /nfs/dbraw/zinc/97/31/98/530973198.db2.gz NYKKNIHZLMQZSP-UWVGGRQHSA-N 0 3 377.381 0.672 20 0 GCADHN CC[NH+](CC)CCCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000195235378 530973495 /nfs/dbraw/zinc/97/34/95/530973495.db2.gz DXIHDUJALPTGPV-UHFFFAOYSA-N 0 3 375.267 0.537 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000420754076 530973921 /nfs/dbraw/zinc/97/39/21/530973921.db2.gz NYKKNIHZLMQZSP-VHSXEESVSA-N 0 3 377.381 0.672 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCC[C@H](CCO)CC1)S(C)(=O)=O ZINC000421018116 530976674 /nfs/dbraw/zinc/97/66/74/530976674.db2.gz OAYGGUVPMWPNDA-INIZCTEOSA-N 0 3 377.551 0.647 20 0 GCADHN CS[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@@H]1N(C)C ZINC000611217385 530979208 /nfs/dbraw/zinc/97/92/08/530979208.db2.gz HKNDAPJHDSLBAN-HOTGVXAUSA-N 0 3 385.555 0.896 20 0 GCADHN COCc1c(Br)cccc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000523215616 530979916 /nfs/dbraw/zinc/97/99/16/530979916.db2.gz WSWYEKOGBQJMDH-JTQLQIEISA-N 0 3 388.262 0.573 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cncc(Cl)c2)CC1=O ZINC000632726056 530980396 /nfs/dbraw/zinc/98/03/96/530980396.db2.gz DOCIZBLBCDZQAV-CYBMUJFWSA-N 0 3 390.893 0.192 20 0 GCADHN CN(CCN)C(=O)C(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000633107929 530982015 /nfs/dbraw/zinc/98/20/15/530982015.db2.gz WHFDCGCVJOGXQN-GFCCVEGCSA-N 0 3 378.256 0.609 20 0 GCADHN CCN(CCN)C(=O)C(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000633110265 530982143 /nfs/dbraw/zinc/98/21/43/530982143.db2.gz ULTKBCFHLLSHBX-ZDUSSCGKSA-N 0 3 392.283 0.999 20 0 GCADHN COc1cc(NC(=O)CCNCCNS(C)(=O)=O)c(OC)cc1Cl ZINC000571875099 530982493 /nfs/dbraw/zinc/98/24/93/530982493.db2.gz IVETXDKQDACXQV-UHFFFAOYSA-N 0 3 379.866 0.825 20 0 GCADHN [NH3+]C[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC12CCOCC2 ZINC000572002263 530983648 /nfs/dbraw/zinc/98/36/48/530983648.db2.gz CUDJEDRRTHDESE-CYBMUJFWSA-N 0 3 387.527 0.630 20 0 GCADHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Br ZINC000572061078 530984069 /nfs/dbraw/zinc/98/40/69/530984069.db2.gz XLGNFVMEQXSIHC-WCQYABFASA-N 0 3 397.273 0.911 20 0 GCADHN CNS(=O)(=O)CCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000633473350 530984365 /nfs/dbraw/zinc/98/43/65/530984365.db2.gz UNAQENHGWLWILZ-UHFFFAOYSA-N 0 3 378.564 0.587 20 0 GCADHN COCCNCCNC(=O)C(=O)N(C)Cc1cc(Br)cs1 ZINC000420180837 530965955 /nfs/dbraw/zinc/96/59/55/530965955.db2.gz HOBIJSMGMHSCCG-UHFFFAOYSA-N 0 3 378.292 0.821 20 0 GCADHN CC(C)N1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000524155590 530984942 /nfs/dbraw/zinc/98/49/42/530984942.db2.gz ZTVQSBSGOHDBIS-GFCCVEGCSA-N 0 3 375.516 0.880 20 0 GCADHN COCCNCCNC(=O)C(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000420179791 530966248 /nfs/dbraw/zinc/96/62/48/530966248.db2.gz GJMOHYYYQMGULQ-UHFFFAOYSA-N 0 3 398.301 0.994 20 0 GCADHN Cc1cc(Br)c2c(c1)CN(C(=O)C(=O)NC[C@@H]1CNCCO1)CC2 ZINC000420213628 530966660 /nfs/dbraw/zinc/96/66/60/530966660.db2.gz YVUPVPKUWXIWTK-ZDUSSCGKSA-N 0 3 396.285 0.747 20 0 GCADHN C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420198401 530966934 /nfs/dbraw/zinc/96/69/34/530966934.db2.gz MQLDDWMHUHAFAM-RYUDHWBXSA-N 0 3 396.285 0.999 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCCO2)c1OC ZINC000420445893 530967631 /nfs/dbraw/zinc/96/76/31/530967631.db2.gz APPUOIISCPSGQX-NSHDSACASA-N 0 3 392.861 0.792 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)c1 ZINC000420463023 530968014 /nfs/dbraw/zinc/96/80/14/530968014.db2.gz NPQNUBIBOGCATH-ZDUSSCGKSA-N 0 3 399.485 0.978 20 0 GCADHN COc1cc(OC)c(S(=O)(=O)NC[C@@H]2CNCCO2)cc1Br ZINC000420476464 530968595 /nfs/dbraw/zinc/96/85/95/530968595.db2.gz IGGFGHZHKDDIMT-VIFPVBQESA-N 0 3 395.275 0.733 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)Cc3ccc(I)cc3)CCN2C1=O ZINC000521645321 530968707 /nfs/dbraw/zinc/96/87/07/530968707.db2.gz FDVVZEXZLOYYSH-OLZOCXBDSA-N 0 3 399.232 0.604 20 0 GCADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000632368472 530968761 /nfs/dbraw/zinc/96/87/61/530968761.db2.gz HWGMLEMSKXOXMJ-MLGOLLRUSA-N 0 3 387.527 0.840 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@@H]2CNCCO2)c1OC ZINC000420477939 530968934 /nfs/dbraw/zinc/96/89/34/530968934.db2.gz KIZTVHOMNYBWBM-JTQLQIEISA-N 0 3 378.834 0.402 20 0 GCADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000632368473 530969048 /nfs/dbraw/zinc/96/90/48/530969048.db2.gz HWGMLEMSKXOXMJ-WBMJQRKESA-N 0 3 387.527 0.840 20 0 GCADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000632367980 530969052 /nfs/dbraw/zinc/96/90/52/530969052.db2.gz AKNQFWRFGPFBLS-WBMJQRKESA-N 0 3 387.527 0.840 20 0 GCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000632367988 530969080 /nfs/dbraw/zinc/96/90/80/530969080.db2.gz AOROAYWELWCPHL-XJKSGUPXSA-N 0 3 387.527 0.940 20 0 GCADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000632369892 530969142 /nfs/dbraw/zinc/96/91/42/530969142.db2.gz SIJCIGJMHIEAKD-CHWSQXEVSA-N 0 3 375.516 0.650 20 0 GCADHN C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@H]1C[NH3+] ZINC000420482779 530969437 /nfs/dbraw/zinc/96/94/37/530969437.db2.gz VDNUUFAUZQPODO-GHMZBOCLSA-N 0 3 379.479 0.803 20 0 GCADHN CO[C@@H](CC(C)C)CS(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000420656708 530970394 /nfs/dbraw/zinc/97/03/94/530970394.db2.gz DXRSPOZFHAGXHV-INIZCTEOSA-N 0 3 377.551 0.767 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000521838727 530970456 /nfs/dbraw/zinc/97/04/56/530970456.db2.gz XJUVJHQZPGUVOI-CQSZACIVSA-N 0 3 387.527 0.701 20 0 GCADHN O=S(=O)(CCCN1CCCC1)NCC1(N2CCOCC2)CCOCC1 ZINC000632439074 530970431 /nfs/dbraw/zinc/97/04/31/530970431.db2.gz KSUQYTGRYZHLLV-UHFFFAOYSA-N 0 3 375.535 0.273 20 0 GCADHN COCCc1nc(CS(=O)(=O)C(C)C(=O)NCCc2cccs2)no1 ZINC000521990518 530972178 /nfs/dbraw/zinc/97/21/78/530972178.db2.gz NUALTYGSEADQNM-NSHDSACASA-N 0 3 387.483 0.982 20 0 GCADHN O=S(=O)([N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnn(CC(F)F)c1 ZINC000261877266 530991156 /nfs/dbraw/zinc/99/11/56/530991156.db2.gz UGQPVRMZBJQKAS-SNVBAGLBSA-N 0 3 391.366 0.263 20 0 GCADHN O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000648825733 530992204 /nfs/dbraw/zinc/99/22/04/530992204.db2.gz QVAUJNHXRKNUEP-LLVKDONJSA-N 0 3 377.413 0.128 20 0 GCADHN CS(=O)(=O)C1(C(=O)NCCNC(=O)c2ccccc2Cl)CCNCC1 ZINC000262004016 530992460 /nfs/dbraw/zinc/99/24/60/530992460.db2.gz BIMVKPJXOXBNSM-UHFFFAOYSA-N 0 3 387.889 0.353 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H](CN)C1CCCC1 ZINC000262044376 530992535 /nfs/dbraw/zinc/99/25/35/530992535.db2.gz LROYPANEMITMNR-CYBMUJFWSA-N 0 3 376.500 0.895 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+]C2)c(Br)c1 ZINC000262036568 530992653 /nfs/dbraw/zinc/99/26/53/530992653.db2.gz KQBZATQRINGHJB-QMMMGPOBSA-N 0 3 383.289 0.493 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000658779470 530993074 /nfs/dbraw/zinc/99/30/74/530993074.db2.gz PXGIUMMEBNNEDF-LLVKDONJSA-N 0 3 385.262 0.687 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C2CC[NH2+]CC2)s1 ZINC000262095430 530993191 /nfs/dbraw/zinc/99/31/91/530993191.db2.gz BNJAGIZHQOLMBJ-UHFFFAOYSA-N 0 3 381.545 0.260 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1F ZINC000262131918 530993694 /nfs/dbraw/zinc/99/36/94/530993694.db2.gz MQLOCSJTZJWOKX-LLVKDONJSA-N 0 3 379.479 0.958 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C[NH2+]C)C2)c(OC)c1 ZINC000262125778 530993836 /nfs/dbraw/zinc/99/38/36/530993836.db2.gz LHHGVICZNWMQSH-GFCCVEGCSA-N 0 3 391.515 0.687 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1)S(C)(=O)=O ZINC000659114337 530994086 /nfs/dbraw/zinc/99/40/86/530994086.db2.gz NEDUVXKVMRYEFF-QMMMGPOBSA-N 0 3 381.376 0.652 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])CC(C)C)s1 ZINC000262147935 530994537 /nfs/dbraw/zinc/99/45/37/530994537.db2.gz QOPUFZVLPSNMHC-GFCCVEGCSA-N 0 3 397.588 0.882 20 0 GCADHN CN[C@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C1 ZINC000262152862 530994555 /nfs/dbraw/zinc/99/45/55/530994555.db2.gz ZBYKKKOTTLZLFI-VIFPVBQESA-N 0 3 397.316 0.835 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000262151510 530994605 /nfs/dbraw/zinc/99/46/05/530994605.db2.gz RTTMCSRDAHUFHM-GFCCVEGCSA-N 0 3 377.488 0.439 20 0 GCADHN COC[C@@]1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCC[NH2+]1 ZINC000262222111 530995222 /nfs/dbraw/zinc/99/52/22/530995222.db2.gz FTIVNPCJHVHHQN-AWEZNQCLSA-N 0 3 395.478 0.244 20 0 GCADHN COC[C@@]1(C[N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)CCC[NH2+]1 ZINC000262289193 530995606 /nfs/dbraw/zinc/99/56/06/530995606.db2.gz MTZOUEHBHCAFKH-HNNXBMFYSA-N 0 3 375.516 0.474 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCn2cc(Br)ccc2=O)n1 ZINC000659498337 530995762 /nfs/dbraw/zinc/99/57/62/530995762.db2.gz KJNODJNVDYYYLU-UHFFFAOYSA-N 0 3 397.233 0.065 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)N ZINC000262202346 530995808 /nfs/dbraw/zinc/99/58/08/530995808.db2.gz DEZDFLZBLSMMAM-AAEUAGOBSA-N 0 3 376.500 0.989 20 0 GCADHN COC[C@@]1(C[N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CCC[NH2+]1 ZINC000262284445 530995937 /nfs/dbraw/zinc/99/59/37/530995937.db2.gz MDLBFGJYOHKLLG-AWEZNQCLSA-N 0 3 378.472 0.590 20 0 GCADHN COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@@]1(COC)CCC[NH2+]1 ZINC000262320276 530996487 /nfs/dbraw/zinc/99/64/87/530996487.db2.gz QFZSILDBDFVEFX-MRXNPFEDSA-N 0 3 376.450 0.898 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000262381352 530997092 /nfs/dbraw/zinc/99/70/92/530997092.db2.gz OMMNAUQDNQYAIN-GAFUQQFSSA-N 0 3 377.463 0.555 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000262373374 530997234 /nfs/dbraw/zinc/99/72/34/530997234.db2.gz MMMIJAACDNOAHY-SUHUHFCYSA-N 0 3 391.490 0.945 20 0 GCADHN CC[NH2+][C@H](C)CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000262455745 530997590 /nfs/dbraw/zinc/99/75/90/530997590.db2.gz LBGOBGNKHZGQDC-MRVPVSSYSA-N 0 3 384.321 0.903 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(OC)c1 ZINC000262480710 530997919 /nfs/dbraw/zinc/99/79/19/530997919.db2.gz RJXCUDNZEXBEIY-TXEJJXNPSA-N 0 3 389.499 0.297 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)CCCS(=O)(=O)C(C)C(N)=O)cc1 ZINC000524486814 530986820 /nfs/dbraw/zinc/98/68/20/530986820.db2.gz WFVALDLQZJDNCS-SNVBAGLBSA-N 0 3 376.456 0.097 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000613523180 530988807 /nfs/dbraw/zinc/98/88/07/530988807.db2.gz RHFZBRYGLRORRO-CQSZACIVSA-N 0 3 381.234 0.221 20 0 GCADHN C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000261783966 530990147 /nfs/dbraw/zinc/99/01/47/530990147.db2.gz KHPBELOFRIDSOC-BDAKNGLRSA-N 0 3 396.332 0.985 20 0 GCADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@H]1C ZINC000524869526 530990780 /nfs/dbraw/zinc/99/07/80/530990780.db2.gz LXSDPCVTAXBQQA-CHWSQXEVSA-N 0 3 375.516 0.827 20 0 GCADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000524869528 530990870 /nfs/dbraw/zinc/99/08/70/530990870.db2.gz LXSDPCVTAXBQQA-QWHCGFSZSA-N 0 3 375.516 0.827 20 0 GCADHN CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000524869529 530990885 /nfs/dbraw/zinc/99/08/85/530990885.db2.gz LXSDPCVTAXBQQA-STQMWFEESA-N 0 3 375.516 0.827 20 0 GCADHN NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN(CC3CC3)C2)cc1 ZINC000660179711 531005493 /nfs/dbraw/zinc/00/54/93/531005493.db2.gz PWAZAYDBXJTSOS-CQSZACIVSA-N 0 3 387.527 0.734 20 0 GCADHN CN1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)[C@H](CN)C1 ZINC000162588420 531006134 /nfs/dbraw/zinc/00/61/34/531006134.db2.gz FFLKJTKWTOHVMN-CQSZACIVSA-N 0 3 383.290 0.670 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C[C@H]1N1CCCC1 ZINC000614278379 531006737 /nfs/dbraw/zinc/00/67/37/531006737.db2.gz ZYOILWZLCOOWFF-RRFJBIMHSA-N 0 3 375.560 0.839 20 0 GCADHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CCNS(C)(=O)=O)CC1 ZINC000614446152 531007872 /nfs/dbraw/zinc/00/78/72/531007872.db2.gz NJZORWXMSOMGEP-OAHLLOKOSA-N 0 3 377.551 0.646 20 0 GCADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000528386559 531010207 /nfs/dbraw/zinc/01/02/07/531010207.db2.gz JLLVXJNXEGEDNS-UHFFFAOYSA-N 0 3 383.440 0.743 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC000627244985 531013298 /nfs/dbraw/zinc/01/32/98/531013298.db2.gz BILOJQCEGMHVSX-NSHDSACASA-N 0 3 375.516 0.573 20 0 GCADHN CN(CCCNC(=O)CN1CCC[C@H]([C@H]2CCCCO2)C1)S(C)(=O)=O ZINC000661872095 531016604 /nfs/dbraw/zinc/01/66/04/531016604.db2.gz AVAYBLIWWGKGNR-JKSUJKDBSA-N 0 3 375.535 0.665 20 0 GCADHN N[C@@H](CC1CCCCC1)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000423184517 531017124 /nfs/dbraw/zinc/01/71/24/531017124.db2.gz UDBNMJKHMUVLFO-CVEARBPZSA-N 0 3 375.535 0.889 20 0 GCADHN COC[C@]1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC[NH2+]C1 ZINC000424001886 531019383 /nfs/dbraw/zinc/01/93/83/531019383.db2.gz SIQZDBUTQVKELP-HNNXBMFYSA-N 0 3 393.868 0.500 20 0 GCADHN O=C(COc1ccc(I)cc1)NC[C@H]1CNCCO1 ZINC000423987298 531019423 /nfs/dbraw/zinc/01/94/23/531019423.db2.gz HGKOBCVAQQAWNV-GFCCVEGCSA-N 0 3 376.194 0.775 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@H]1CNCCO1 ZINC000423991966 531019513 /nfs/dbraw/zinc/01/95/13/531019513.db2.gz NIEYVQQOKVELGF-RKDXNWHRSA-N 0 3 376.276 0.734 20 0 GCADHN O=C(COC1CC[NH2+]CC1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000423984375 531019531 /nfs/dbraw/zinc/01/95/31/531019531.db2.gz CBIYINYEMRYSHG-UHFFFAOYSA-N 0 3 377.413 0.128 20 0 GCADHN O=C(CCNC(=O)c1cc(F)ccc1Br)NC[C@H]1CNCCO1 ZINC000423998663 531019549 /nfs/dbraw/zinc/01/95/49/531019549.db2.gz ZXYTWJLDTZSOLD-LLVKDONJSA-N 0 3 388.237 0.813 20 0 GCADHN 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CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1Cl ZINC000565428495 531185420 /nfs/dbraw/zinc/18/54/20/531185420.db2.gz OYSFOTODRVWDOZ-JTQLQIEISA-N 0 3 378.857 0.701 20 0 GCADHN CN(CC[NH+](C)C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442610632 531188133 /nfs/dbraw/zinc/18/81/33/531188133.db2.gz PUUSZFKUFCSZMY-UHFFFAOYSA-N 0 3 380.873 0.960 20 0 GCADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(F)c2)C[C@H]1N(C)C ZINC000565747084 531190100 /nfs/dbraw/zinc/19/01/00/531190100.db2.gz ZDDFSSJEMLSXJV-KGLIPLIRSA-N 0 3 375.491 0.608 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CCCC[NH3+])c(Br)c1 ZINC000566223626 531196102 /nfs/dbraw/zinc/19/61/02/531196102.db2.gz HOKHWKJLXHRXHB-UHFFFAOYSA-N 0 3 385.305 0.870 20 0 GCADHN COCCN(C)C[C@H](O)CN(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000566417787 531198000 /nfs/dbraw/zinc/19/80/00/531198000.db2.gz YKIPXGTWAMCXGF-LSDHHAIUSA-N 0 3 388.306 0.846 20 0 GCADHN COC(=O)c1sccc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000443087368 531196617 /nfs/dbraw/zinc/19/66/17/531196617.db2.gz RMSIHPWEQAGYPM-NSHDSACASA-N 0 3 389.499 0.400 20 0 GCADHN CC[C@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736401777 598841428 /nfs/dbraw/zinc/84/14/28/598841428.db2.gz YCFOHTRLRXWSPM-INIZCTEOSA-N 0 3 385.472 0.977 20 0 GCADHN CC[C@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736401777 598841430 /nfs/dbraw/zinc/84/14/30/598841430.db2.gz YCFOHTRLRXWSPM-INIZCTEOSA-N 0 3 385.472 0.977 20 0 GCADHN CC[C@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736401777 598841432 /nfs/dbraw/zinc/84/14/32/598841432.db2.gz YCFOHTRLRXWSPM-INIZCTEOSA-N 0 3 385.472 0.977 20 0 GCADHN CC[C@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736401777 598841433 /nfs/dbraw/zinc/84/14/33/598841433.db2.gz YCFOHTRLRXWSPM-INIZCTEOSA-N 0 3 385.472 0.977 20 0 GCADHN CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000736634495 598854098 /nfs/dbraw/zinc/85/40/98/598854098.db2.gz HXTAEKXJDOXHTK-LBPRGKRZSA-N 0 3 387.444 0.614 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000736634495 598854099 /nfs/dbraw/zinc/85/40/99/598854099.db2.gz HXTAEKXJDOXHTK-LBPRGKRZSA-N 0 3 387.444 0.614 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000736761389 598854666 /nfs/dbraw/zinc/85/46/66/598854666.db2.gz DZLSHCROVMQASA-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000736761389 598854667 /nfs/dbraw/zinc/85/46/67/598854667.db2.gz DZLSHCROVMQASA-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN COC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736905075 598873061 /nfs/dbraw/zinc/87/30/61/598873061.db2.gz AAZSAOZRYGACAZ-HOCLYGCPSA-N 0 3 387.440 0.882 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737764286 598898154 /nfs/dbraw/zinc/89/81/54/598898154.db2.gz KHLYAHQZIBPJRN-GFCCVEGCSA-N 0 3 375.458 0.620 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737764286 598898155 /nfs/dbraw/zinc/89/81/55/598898155.db2.gz KHLYAHQZIBPJRN-GFCCVEGCSA-N 0 3 375.458 0.620 20 0 GCADHN O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000738162665 598908438 /nfs/dbraw/zinc/90/84/38/598908438.db2.gz KWRHEUVAOWZPJT-LBPRGKRZSA-N 0 3 387.419 0.889 20 0 GCADHN O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000738162665 598908439 /nfs/dbraw/zinc/90/84/39/598908439.db2.gz KWRHEUVAOWZPJT-LBPRGKRZSA-N 0 3 387.419 0.889 20 0 GCADHN CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735734180 598931243 /nfs/dbraw/zinc/93/12/43/598931243.db2.gz LHODZZYTWGPBLR-OAHLLOKOSA-N 0 3 388.476 0.583 20 0 GCADHN CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735734180 598931246 /nfs/dbraw/zinc/93/12/46/598931246.db2.gz LHODZZYTWGPBLR-OAHLLOKOSA-N 0 3 388.476 0.583 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000737296771 598931788 /nfs/dbraw/zinc/93/17/88/598931788.db2.gz ONXBLJSBTOETRS-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000737296771 598931790 /nfs/dbraw/zinc/93/17/90/598931790.db2.gz ONXBLJSBTOETRS-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000737296771 598931791 /nfs/dbraw/zinc/93/17/91/598931791.db2.gz ONXBLJSBTOETRS-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000737296771 598931793 /nfs/dbraw/zinc/93/17/93/598931793.db2.gz ONXBLJSBTOETRS-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CCCOCC1CCOCC1)C2 ZINC000738450811 599011193 /nfs/dbraw/zinc/01/11/93/599011193.db2.gz XQMBWORZRFIKMQ-AWEZNQCLSA-N 0 3 376.465 0.528 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CCCOCC1CCOCC1)C2 ZINC000738450811 599011195 /nfs/dbraw/zinc/01/11/95/599011195.db2.gz XQMBWORZRFIKMQ-AWEZNQCLSA-N 0 3 376.465 0.528 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CCCOCC1CCOCC1)C2 ZINC000738450813 599011493 /nfs/dbraw/zinc/01/14/93/599011493.db2.gz XQMBWORZRFIKMQ-CQSZACIVSA-N 0 3 376.465 0.528 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CCCOCC1CCOCC1)C2 ZINC000738450813 599011495 /nfs/dbraw/zinc/01/14/95/599011495.db2.gz XQMBWORZRFIKMQ-CQSZACIVSA-N 0 3 376.465 0.528 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859761 599074600 /nfs/dbraw/zinc/07/46/00/599074600.db2.gz JBQSBDPOXIBZFW-MSOLQXFVSA-N 0 3 398.515 0.495 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859761 599074604 /nfs/dbraw/zinc/07/46/04/599074604.db2.gz JBQSBDPOXIBZFW-MSOLQXFVSA-N 0 3 398.515 0.495 20 0 GCADHN C[N@H+](CCCO)C1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736801825 599077596 /nfs/dbraw/zinc/07/75/96/599077596.db2.gz VTZCHCDSVUDNNS-UHFFFAOYSA-N 0 3 387.488 0.262 20 0 GCADHN C[N@@H+](CCCO)C1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736801825 599077599 /nfs/dbraw/zinc/07/75/99/599077599.db2.gz VTZCHCDSVUDNNS-UHFFFAOYSA-N 0 3 387.488 0.262 20 0 GCADHN C[N@H+](CCCO)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736801825 599077602 /nfs/dbraw/zinc/07/76/02/599077602.db2.gz VTZCHCDSVUDNNS-UHFFFAOYSA-N 0 3 387.488 0.262 20 0 GCADHN C[N@@H+](CCCO)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736801825 599077605 /nfs/dbraw/zinc/07/76/05/599077605.db2.gz VTZCHCDSVUDNNS-UHFFFAOYSA-N 0 3 387.488 0.262 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000735560077 599078417 /nfs/dbraw/zinc/07/84/17/599078417.db2.gz PBBSVGFPIBHYQL-CQSZACIVSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000735560077 599078420 /nfs/dbraw/zinc/07/84/20/599078420.db2.gz PBBSVGFPIBHYQL-CQSZACIVSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000735560077 599078423 /nfs/dbraw/zinc/07/84/23/599078423.db2.gz PBBSVGFPIBHYQL-CQSZACIVSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000735560077 599078426 /nfs/dbraw/zinc/07/84/26/599078426.db2.gz PBBSVGFPIBHYQL-CQSZACIVSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000735560249 599078974 /nfs/dbraw/zinc/07/89/74/599078974.db2.gz CQOBQQSLKFQVCU-CVEARBPZSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560249 599078977 /nfs/dbraw/zinc/07/89/77/599078977.db2.gz CQOBQQSLKFQVCU-CVEARBPZSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000735560249 599078980 /nfs/dbraw/zinc/07/89/80/599078980.db2.gz CQOBQQSLKFQVCU-CVEARBPZSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560249 599078982 /nfs/dbraw/zinc/07/89/82/599078982.db2.gz CQOBQQSLKFQVCU-CVEARBPZSA-N 0 3 398.515 0.906 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858873 599080583 /nfs/dbraw/zinc/08/05/83/599080583.db2.gz VJJIFJYSZRKRPC-SJORKVTESA-N 0 3 384.488 0.105 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858873 599080585 /nfs/dbraw/zinc/08/05/85/599080585.db2.gz VJJIFJYSZRKRPC-SJORKVTESA-N 0 3 384.488 0.105 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736859275 599149650 /nfs/dbraw/zinc/14/96/50/599149650.db2.gz YKJCXQJIWDMHOO-MRXNPFEDSA-N 0 3 398.471 0.044 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736859275 599149651 /nfs/dbraw/zinc/14/96/51/599149651.db2.gz YKJCXQJIWDMHOO-MRXNPFEDSA-N 0 3 398.471 0.044 20 0 GCADHN OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738391408 599177512 /nfs/dbraw/zinc/17/75/12/599177512.db2.gz WWEHKAXMWNHWFK-TZMCWYRMSA-N 0 3 393.455 0.779 20 0 GCADHN OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738391408 599177516 /nfs/dbraw/zinc/17/75/16/599177516.db2.gz WWEHKAXMWNHWFK-TZMCWYRMSA-N 0 3 393.455 0.779 20 0 GCADHN OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738391407 599177560 /nfs/dbraw/zinc/17/75/60/599177560.db2.gz WWEHKAXMWNHWFK-OCCSQVGLSA-N 0 3 393.455 0.779 20 0 GCADHN OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738391407 599177561 /nfs/dbraw/zinc/17/75/61/599177561.db2.gz WWEHKAXMWNHWFK-OCCSQVGLSA-N 0 3 393.455 0.779 20 0 GCADHN CN1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)([NH+]2CCCCC2)CC1 ZINC000736847139 599231416 /nfs/dbraw/zinc/23/14/16/599231416.db2.gz FHJOQUGCBVBRQY-UHFFFAOYSA-N 0 3 384.488 0.942 20 0 GCADHN O=C(NCCN1CCCC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000738075212 599283737 /nfs/dbraw/zinc/28/37/37/599283737.db2.gz LJNYHWZDSUNXPT-UHFFFAOYSA-N 0 3 395.370 0.619 20 0 GCADHN CC(C)([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)NCC1CCCC1 ZINC000819987828 607334832 /nfs/dbraw/zinc/33/48/32/607334832.db2.gz NOAKEHQLUCZMQL-CYBMUJFWSA-N 0 3 387.492 0.780 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820128979 607335114 /nfs/dbraw/zinc/33/51/14/607335114.db2.gz UAOVMHTTXAFMRF-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820128979 607335115 /nfs/dbraw/zinc/33/51/15/607335115.db2.gz UAOVMHTTXAFMRF-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820128979 607335117 /nfs/dbraw/zinc/33/51/17/607335117.db2.gz UAOVMHTTXAFMRF-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820128979 607335120 /nfs/dbraw/zinc/33/51/20/607335120.db2.gz UAOVMHTTXAFMRF-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821109156 607335747 /nfs/dbraw/zinc/33/57/47/607335747.db2.gz AMJFAGDWLVZQEE-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821109156 607335749 /nfs/dbraw/zinc/33/57/49/607335749.db2.gz AMJFAGDWLVZQEE-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821109156 607335750 /nfs/dbraw/zinc/33/57/50/607335750.db2.gz AMJFAGDWLVZQEE-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821109156 607335752 /nfs/dbraw/zinc/33/57/52/607335752.db2.gz AMJFAGDWLVZQEE-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN C[N@H+](CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC000821602743 607339177 /nfs/dbraw/zinc/33/91/77/607339177.db2.gz RREMJJJLDWCHFY-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[N@@H+](CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC000821602743 607339179 /nfs/dbraw/zinc/33/91/79/607339179.db2.gz RREMJJJLDWCHFY-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[N@H+](CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000821602743 607339181 /nfs/dbraw/zinc/33/91/81/607339181.db2.gz RREMJJJLDWCHFY-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[N@@H+](CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000821602743 607339183 /nfs/dbraw/zinc/33/91/83/607339183.db2.gz RREMJJJLDWCHFY-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3F)CC[C@@H]21 ZINC000821625843 607344679 /nfs/dbraw/zinc/34/46/79/607344679.db2.gz WVTLJHPNVQWMDN-DOMZBBRYSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3F)CC[C@@H]21 ZINC000821625843 607344681 /nfs/dbraw/zinc/34/46/81/607344681.db2.gz WVTLJHPNVQWMDN-DOMZBBRYSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3F)CC[C@@H]21 ZINC000821625843 607344682 /nfs/dbraw/zinc/34/46/82/607344682.db2.gz WVTLJHPNVQWMDN-DOMZBBRYSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3F)CC[C@@H]21 ZINC000821625843 607344685 /nfs/dbraw/zinc/34/46/85/607344685.db2.gz WVTLJHPNVQWMDN-DOMZBBRYSA-N 0 3 387.419 0.887 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)[N@H+](C)C1CC1 ZINC000736018961 598270209 /nfs/dbraw/zinc/27/02/09/598270209.db2.gz YDAFBTIAYAITIR-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)[N@@H+](C)C1CC1 ZINC000736018961 598270211 /nfs/dbraw/zinc/27/02/11/598270211.db2.gz YDAFBTIAYAITIR-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)[N@H+](C)C1CC1 ZINC000736018961 598270214 /nfs/dbraw/zinc/27/02/14/598270214.db2.gz YDAFBTIAYAITIR-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)[N@@H+](C)C1CC1 ZINC000736018961 598270215 /nfs/dbraw/zinc/27/02/15/598270215.db2.gz YDAFBTIAYAITIR-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736755583 598271180 /nfs/dbraw/zinc/27/11/80/598271180.db2.gz AEOQVXUMMBZQPX-INIZCTEOSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736755583 598271182 /nfs/dbraw/zinc/27/11/82/598271182.db2.gz AEOQVXUMMBZQPX-INIZCTEOSA-N 0 3 399.503 0.966 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000498403917 598272153 /nfs/dbraw/zinc/27/21/53/598272153.db2.gz LTMJMOFQCJSVDS-DLBZAZTESA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000498403917 598272154 /nfs/dbraw/zinc/27/21/54/598272154.db2.gz LTMJMOFQCJSVDS-DLBZAZTESA-N 0 3 397.483 0.816 20 0 GCADHN c1nn2cc(CNCC3([NH+]4CCCC4)CCOCC3)cnc2c1-c1nnn[n-]1 ZINC000738451489 598288358 /nfs/dbraw/zinc/28/83/58/598288358.db2.gz HKJAEFMQYVANRI-UHFFFAOYSA-N 0 3 383.460 0.644 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000738384355 598313504 /nfs/dbraw/zinc/31/35/04/598313504.db2.gz DNKVYOAZQGKIQM-CABCVRRESA-N 0 3 375.429 0.691 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000738384355 598313506 /nfs/dbraw/zinc/31/35/06/598313506.db2.gz DNKVYOAZQGKIQM-CABCVRRESA-N 0 3 375.429 0.691 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736146137 598349135 /nfs/dbraw/zinc/34/91/35/598349135.db2.gz XLNFCMWQMMGFGI-KGLIPLIRSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736146137 598349137 /nfs/dbraw/zinc/34/91/37/598349137.db2.gz XLNFCMWQMMGFGI-KGLIPLIRSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736146137 598349138 /nfs/dbraw/zinc/34/91/38/598349138.db2.gz XLNFCMWQMMGFGI-KGLIPLIRSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736146137 598349140 /nfs/dbraw/zinc/34/91/40/598349140.db2.gz XLNFCMWQMMGFGI-KGLIPLIRSA-N 0 3 387.488 0.971 20 0 GCADHN Cc1oc(NC(=O)[C@@H](C)N2CCC([N@H+](C)CCO)CC2)c(-c2nnn[n-]2)c1C ZINC000737546182 598349866 /nfs/dbraw/zinc/34/98/66/598349866.db2.gz ABXVRODYWSNOLD-GFCCVEGCSA-N 0 3 391.476 0.792 20 0 GCADHN Cc1oc(NC(=O)[C@@H](C)N2CCC([N@@H+](C)CCO)CC2)c(-c2nnn[n-]2)c1C ZINC000737546182 598349868 /nfs/dbraw/zinc/34/98/68/598349868.db2.gz ABXVRODYWSNOLD-GFCCVEGCSA-N 0 3 391.476 0.792 20 0 GCADHN CN1CCN(C[C@H]2CN(CCOc3cccc(-c4nn[nH]n4)c3)CCO2)CC1 ZINC000736864493 598353210 /nfs/dbraw/zinc/35/32/10/598353210.db2.gz REHGXDPHIDIIFJ-SFHVURJKSA-N 0 3 387.488 0.194 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736146273 598366150 /nfs/dbraw/zinc/36/61/50/598366150.db2.gz ZIJIIQPHVKPIFQ-KDOFPFPSSA-N 0 3 399.499 0.749 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736146273 598366151 /nfs/dbraw/zinc/36/61/51/598366151.db2.gz ZIJIIQPHVKPIFQ-KDOFPFPSSA-N 0 3 399.499 0.749 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736146273 598366152 /nfs/dbraw/zinc/36/61/52/598366152.db2.gz ZIJIIQPHVKPIFQ-KDOFPFPSSA-N 0 3 399.499 0.749 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736146273 598366153 /nfs/dbraw/zinc/36/61/53/598366153.db2.gz ZIJIIQPHVKPIFQ-KDOFPFPSSA-N 0 3 399.499 0.749 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737745449 598374531 /nfs/dbraw/zinc/37/45/31/598374531.db2.gz NWVAMGKDQJNNJZ-XVJNWHFHSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737745449 598374533 /nfs/dbraw/zinc/37/45/33/598374533.db2.gz NWVAMGKDQJNNJZ-XVJNWHFHSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737745449 598374535 /nfs/dbraw/zinc/37/45/35/598374535.db2.gz NWVAMGKDQJNNJZ-XVJNWHFHSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737745449 598374536 /nfs/dbraw/zinc/37/45/36/598374536.db2.gz NWVAMGKDQJNNJZ-XVJNWHFHSA-N 0 3 383.456 0.584 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736263965 598402909 /nfs/dbraw/zinc/40/29/09/598402909.db2.gz AFCWQDAUKKEKMA-KGLIPLIRSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000736263965 598402911 /nfs/dbraw/zinc/40/29/11/598402911.db2.gz AFCWQDAUKKEKMA-KGLIPLIRSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736263965 598402913 /nfs/dbraw/zinc/40/29/13/598402913.db2.gz AFCWQDAUKKEKMA-KGLIPLIRSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000736263965 598402914 /nfs/dbraw/zinc/40/29/14/598402914.db2.gz AFCWQDAUKKEKMA-KGLIPLIRSA-N 0 3 385.472 0.833 20 0 GCADHN Cc1oc(NC(=O)[C@H](C)N2CCO[C@@H](C[NH+](C)C)C2)c(-c2nnn[n-]2)c1C ZINC000737550696 598427743 /nfs/dbraw/zinc/42/77/43/598427743.db2.gz BRVCPOFPGMHSTP-AAEUAGOBSA-N 0 3 377.449 0.666 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000737776414 598434881 /nfs/dbraw/zinc/43/48/81/598434881.db2.gz MRYRJWRJCGDLFS-DZGCQCFKSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000737776414 598434882 /nfs/dbraw/zinc/43/48/82/598434882.db2.gz MRYRJWRJCGDLFS-DZGCQCFKSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000737776414 598434883 /nfs/dbraw/zinc/43/48/83/598434883.db2.gz MRYRJWRJCGDLFS-DZGCQCFKSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000737776414 598434884 /nfs/dbraw/zinc/43/48/84/598434884.db2.gz MRYRJWRJCGDLFS-DZGCQCFKSA-N 0 3 393.455 0.991 20 0 GCADHN CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736565301 598486513 /nfs/dbraw/zinc/48/65/13/598486513.db2.gz IZJGMUBFWNIAEP-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736565301 598486515 /nfs/dbraw/zinc/48/65/15/598486515.db2.gz IZJGMUBFWNIAEP-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736565301 598486517 /nfs/dbraw/zinc/48/65/17/598486517.db2.gz IZJGMUBFWNIAEP-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736565301 598486519 /nfs/dbraw/zinc/48/65/19/598486519.db2.gz IZJGMUBFWNIAEP-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN CC(C)CN1CCO[C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735835528 598518122 /nfs/dbraw/zinc/51/81/22/598518122.db2.gz JRKZAJUOMKBVMF-KGLIPLIRSA-N 0 3 375.481 0.051 20 0 GCADHN CC(C)CN1CCO[C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000735835528 598518124 /nfs/dbraw/zinc/51/81/24/598518124.db2.gz JRKZAJUOMKBVMF-KGLIPLIRSA-N 0 3 375.481 0.051 20 0 GCADHN CC(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCOCC1 ZINC000735709679 598519459 /nfs/dbraw/zinc/51/94/59/598519459.db2.gz QUZGBVAVOOKWDL-ZFWWWQNUSA-N 0 3 375.481 0.051 20 0 GCADHN CC(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)N1CCOCC1 ZINC000735709679 598519460 /nfs/dbraw/zinc/51/94/60/598519460.db2.gz QUZGBVAVOOKWDL-ZFWWWQNUSA-N 0 3 375.481 0.051 20 0 GCADHN C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C[C@@H](C)O1 ZINC000736292204 598520036 /nfs/dbraw/zinc/52/00/36/598520036.db2.gz NVUQRPYTQPOBJE-MCIONIFRSA-N 0 3 389.508 0.582 20 0 GCADHN C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C[C@@H](C)O1 ZINC000736292204 598520037 /nfs/dbraw/zinc/52/00/37/598520037.db2.gz NVUQRPYTQPOBJE-MCIONIFRSA-N 0 3 389.508 0.582 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]Cc1ccc(N3CCCC3)nc1)C2 ZINC000738412193 598521890 /nfs/dbraw/zinc/52/18/90/598521890.db2.gz BWZSXWACRZGUGD-CQSZACIVSA-N 0 3 380.460 0.890 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]Cc1ccc(N3CCCC3)nc1)C2 ZINC000738412193 598521891 /nfs/dbraw/zinc/52/18/91/598521891.db2.gz BWZSXWACRZGUGD-CQSZACIVSA-N 0 3 380.460 0.890 20 0 GCADHN c1cn(-c2ccc(C[NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cn2)cn1 ZINC000738445037 598522514 /nfs/dbraw/zinc/52/25/14/598522514.db2.gz BIKOWUAHLBGFJV-CYBMUJFWSA-N 0 3 377.416 0.475 20 0 GCADHN c1cn(-c2ccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cn2)cn1 ZINC000738445037 598522516 /nfs/dbraw/zinc/52/25/16/598522516.db2.gz BIKOWUAHLBGFJV-CYBMUJFWSA-N 0 3 377.416 0.475 20 0 GCADHN C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)NCc1ccccc1 ZINC000736133250 598524378 /nfs/dbraw/zinc/52/43/78/598524378.db2.gz GRDCFTIHSVIOND-OCCSQVGLSA-N 0 3 381.444 0.399 20 0 GCADHN CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736762696 598524486 /nfs/dbraw/zinc/52/44/86/598524486.db2.gz JVRSJCIWCNKKIR-HOTGVXAUSA-N 0 3 381.488 0.867 20 0 GCADHN CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736762696 598524488 /nfs/dbraw/zinc/52/44/88/598524488.db2.gz JVRSJCIWCNKKIR-HOTGVXAUSA-N 0 3 381.488 0.867 20 0 GCADHN COc1ccc(OC)c(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737109011 598526007 /nfs/dbraw/zinc/52/60/07/598526007.db2.gz NRWUQBVXPNJKQT-GFCCVEGCSA-N 0 3 384.444 0.954 20 0 GCADHN COc1ccc(OC)c(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737109011 598526010 /nfs/dbraw/zinc/52/60/10/598526010.db2.gz NRWUQBVXPNJKQT-GFCCVEGCSA-N 0 3 384.444 0.954 20 0 GCADHN O=C(NC1CC1)c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000738022096 598526922 /nfs/dbraw/zinc/52/69/22/598526922.db2.gz RMQRJBMMTMSAHL-CYBMUJFWSA-N 0 3 393.455 0.787 20 0 GCADHN O=C(NC1CC1)c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000738022096 598526924 /nfs/dbraw/zinc/52/69/24/598526924.db2.gz RMQRJBMMTMSAHL-CYBMUJFWSA-N 0 3 393.455 0.787 20 0 GCADHN CC(C)c1nnc2n1C[C@H]([NH2+]C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000735952647 598527511 /nfs/dbraw/zinc/52/75/11/598527511.db2.gz JQXWNWYTCZTYNU-NWDGAFQWSA-N 0 3 383.464 0.424 20 0 GCADHN CC(C)c1nnc2n1C[C@H]([NH2+]C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000735952647 598527513 /nfs/dbraw/zinc/52/75/13/598527513.db2.gz JQXWNWYTCZTYNU-NWDGAFQWSA-N 0 3 383.464 0.424 20 0 GCADHN CC(=O)Nc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000735484123 598528583 /nfs/dbraw/zinc/52/85/83/598528583.db2.gz IBWJGIFJGFHMEI-AWEZNQCLSA-N 0 3 381.444 0.896 20 0 GCADHN CC(=O)Nc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000735484123 598528585 /nfs/dbraw/zinc/52/85/85/598528585.db2.gz IBWJGIFJGFHMEI-AWEZNQCLSA-N 0 3 381.444 0.896 20 0 GCADHN COc1cccc2c1OC[C@H]([NH2+]C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000737142735 598529453 /nfs/dbraw/zinc/52/94/53/598529453.db2.gz MGFZSEYACZRJGJ-WCQYABFASA-N 0 3 382.428 0.707 20 0 GCADHN COc1cccc2c1OC[C@H]([NH2+]C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000737142735 598529455 /nfs/dbraw/zinc/52/94/55/598529455.db2.gz MGFZSEYACZRJGJ-WCQYABFASA-N 0 3 382.428 0.707 20 0 GCADHN O=C(C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCc2ccccc21 ZINC000737895255 598531447 /nfs/dbraw/zinc/53/14/47/598531447.db2.gz NVGYOQAMPHRRQE-LBPRGKRZSA-N 0 3 379.428 0.284 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735876209 598634647 /nfs/dbraw/zinc/63/46/47/598634647.db2.gz WZUAUNOCVIYCJA-UHFFFAOYSA-N 0 3 375.408 0.933 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735876209 598634649 /nfs/dbraw/zinc/63/46/49/598634649.db2.gz WZUAUNOCVIYCJA-UHFFFAOYSA-N 0 3 375.408 0.933 20 0 GCADHN CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000736741568 598697570 /nfs/dbraw/zinc/69/75/70/598697570.db2.gz FTIQVYIKDKBCNM-OAHLLOKOSA-N 0 3 393.455 0.943 20 0 GCADHN CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000736741568 598697572 /nfs/dbraw/zinc/69/75/72/598697572.db2.gz FTIQVYIKDKBCNM-OAHLLOKOSA-N 0 3 393.455 0.943 20 0 GCADHN C[NH+](C)CCN1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736768961 598700792 /nfs/dbraw/zinc/70/07/92/598700792.db2.gz KYPXZXMVKYWOQC-UHFFFAOYSA-N 0 3 375.502 0.665 20 0 GCADHN O=C1CCCN1[C@H]1CCCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738302304 598708473 /nfs/dbraw/zinc/70/84/73/598708473.db2.gz ISTFXLBZCBQQFA-HOTGVXAUSA-N 0 3 386.456 0.693 20 0 GCADHN CCc1cccc(NC(=O)C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736701220 598714301 /nfs/dbraw/zinc/71/43/01/598714301.db2.gz XNALRLFLYYDTPK-ZDUSSCGKSA-N 0 3 381.444 0.896 20 0 GCADHN CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CC[NH+](C)CC1 ZINC000736851633 598717537 /nfs/dbraw/zinc/71/75/37/598717537.db2.gz JTMLKULLMIVTML-UHFFFAOYSA-N 0 3 381.444 0.801 20 0 GCADHN CN(C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CC[NH+](C)CC1 ZINC000736851633 598717539 /nfs/dbraw/zinc/71/75/39/598717539.db2.gz JTMLKULLMIVTML-UHFFFAOYSA-N 0 3 381.444 0.801 20 0 GCADHN O=C1CCCN1C[C@@H](O)C[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738301934 598728440 /nfs/dbraw/zinc/72/84/40/598728440.db2.gz GNBRZORPFZTHDR-HNNXBMFYSA-N 0 3 385.472 0.362 20 0 GCADHN O=C1CCCN1C[C@@H](O)C[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738301934 598728441 /nfs/dbraw/zinc/72/84/41/598728441.db2.gz GNBRZORPFZTHDR-HNNXBMFYSA-N 0 3 385.472 0.362 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736861095 598759276 /nfs/dbraw/zinc/75/92/76/598759276.db2.gz YIUWNCVHPDUFQJ-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736861095 598759279 /nfs/dbraw/zinc/75/92/79/598759279.db2.gz YIUWNCVHPDUFQJ-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736861095 598759280 /nfs/dbraw/zinc/75/92/80/598759280.db2.gz YIUWNCVHPDUFQJ-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736861095 598759282 /nfs/dbraw/zinc/75/92/82/598759282.db2.gz YIUWNCVHPDUFQJ-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1c1ccccc1F ZINC000738294969 598778873 /nfs/dbraw/zinc/77/88/73/598778873.db2.gz GRLTXGPAQNLFIT-RISCZKNCSA-N 0 3 397.418 0.639 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736847814 598785803 /nfs/dbraw/zinc/78/58/03/598785803.db2.gz KCBNOMLNLXKZAR-GXTWGEPZSA-N 0 3 387.469 0.658 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736847814 598785804 /nfs/dbraw/zinc/78/58/04/598785804.db2.gz KCBNOMLNLXKZAR-GXTWGEPZSA-N 0 3 387.469 0.658 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736847823 598785845 /nfs/dbraw/zinc/78/58/45/598785845.db2.gz KCBNOMLNLXKZAR-JSGCOSHPSA-N 0 3 387.469 0.658 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736847823 598785846 /nfs/dbraw/zinc/78/58/46/598785846.db2.gz KCBNOMLNLXKZAR-JSGCOSHPSA-N 0 3 387.469 0.658 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000736281486 599298263 /nfs/dbraw/zinc/29/82/63/599298263.db2.gz SJHUPMDNUYNAGN-TVQRCGJNSA-N 0 3 377.836 0.867 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000736281486 599298265 /nfs/dbraw/zinc/29/82/65/599298265.db2.gz SJHUPMDNUYNAGN-TVQRCGJNSA-N 0 3 377.836 0.867 20 0 GCADHN CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)[C@@H](C)C1 ZINC000735465357 599300477 /nfs/dbraw/zinc/30/04/77/599300477.db2.gz JFTGGQUTUVODQG-ZLIFDBKOSA-N 0 3 383.456 0.819 20 0 GCADHN CN1CCO[C@@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736868979 599318382 /nfs/dbraw/zinc/31/83/82/599318382.db2.gz XUKTXUGQYAEMCA-QGZVFWFLSA-N 0 3 385.472 0.232 20 0 GCADHN O=C(COc1ccc(-c2nn[n-]n2)cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737919572 599391547 /nfs/dbraw/zinc/39/15/47/599391547.db2.gz NYQIBIADBYLTMZ-CQSZACIVSA-N 0 3 386.456 0.863 20 0 GCADHN C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736846776 599510883 /nfs/dbraw/zinc/51/08/83/599510883.db2.gz BPTFGHCJYWXZTK-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736846776 599510886 /nfs/dbraw/zinc/51/08/86/599510886.db2.gz BPTFGHCJYWXZTK-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000735904859 599511041 /nfs/dbraw/zinc/51/10/41/599511041.db2.gz ULMMUQIVBIALPN-LBPRGKRZSA-N 0 3 387.444 0.660 20 0 GCADHN CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000735904859 599511042 /nfs/dbraw/zinc/51/10/42/599511042.db2.gz ULMMUQIVBIALPN-LBPRGKRZSA-N 0 3 387.444 0.660 20 0 GCADHN C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736848421 599511456 /nfs/dbraw/zinc/51/14/56/599511456.db2.gz MKJSAVLICMZMIW-VIFPVBQESA-N 0 3 395.370 0.475 20 0 GCADHN C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736848421 599511459 /nfs/dbraw/zinc/51/14/59/599511459.db2.gz MKJSAVLICMZMIW-VIFPVBQESA-N 0 3 395.370 0.475 20 0 GCADHN C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000736224482 599580190 /nfs/dbraw/zinc/58/01/90/599580190.db2.gz SEGQRKCIGOTJOR-HNAYVOBHSA-N 0 3 396.455 0.371 20 0 GCADHN C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000736224482 599580192 /nfs/dbraw/zinc/58/01/92/599580192.db2.gz SEGQRKCIGOTJOR-HNAYVOBHSA-N 0 3 396.455 0.371 20 0 GCADHN O=C1CN(CN2CC[N@@H+]3CCC[C@H]3C2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738305908 599582444 /nfs/dbraw/zinc/58/24/44/599582444.db2.gz DNZJURNQSFKMHN-INIZCTEOSA-N 0 3 396.455 0.368 20 0 GCADHN O=C1CN(CN2CC[N@H+]3CCC[C@H]3C2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738305908 599582447 /nfs/dbraw/zinc/58/24/47/599582447.db2.gz DNZJURNQSFKMHN-INIZCTEOSA-N 0 3 396.455 0.368 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1-c1nn[n-]n1 ZINC000822319598 599607832 /nfs/dbraw/zinc/60/78/32/599607832.db2.gz UJASBNZYBSPQLK-STQMWFEESA-N 0 3 385.428 0.093 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1-c1nn[n-]n1 ZINC000822319598 599607834 /nfs/dbraw/zinc/60/78/34/599607834.db2.gz UJASBNZYBSPQLK-STQMWFEESA-N 0 3 385.428 0.093 20 0 GCADHN COCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821686845 599610283 /nfs/dbraw/zinc/61/02/83/599610283.db2.gz BSIBTGYKTGKGPJ-UHFFFAOYSA-N 0 3 395.851 0.543 20 0 GCADHN COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821686845 599610285 /nfs/dbraw/zinc/61/02/85/599610285.db2.gz BSIBTGYKTGKGPJ-UHFFFAOYSA-N 0 3 395.851 0.543 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820994165 599668840 /nfs/dbraw/zinc/66/88/40/599668840.db2.gz FQJODWAOIRDPHZ-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820994165 599668841 /nfs/dbraw/zinc/66/88/41/599668841.db2.gz FQJODWAOIRDPHZ-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820994165 599668842 /nfs/dbraw/zinc/66/88/42/599668842.db2.gz FQJODWAOIRDPHZ-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820994165 599668843 /nfs/dbraw/zinc/66/88/43/599668843.db2.gz FQJODWAOIRDPHZ-LSDHHAIUSA-N 0 3 385.476 0.942 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC[N@@H+]1C ZINC000820658617 599676284 /nfs/dbraw/zinc/67/62/84/599676284.db2.gz UJECUBDGZVDWIA-UKRRQHHQSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC[N@H+]1C ZINC000820658617 599676285 /nfs/dbraw/zinc/67/62/85/599676285.db2.gz UJECUBDGZVDWIA-UKRRQHHQSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC[N@@H+]1C ZINC000820658617 599676286 /nfs/dbraw/zinc/67/62/86/599676286.db2.gz UJECUBDGZVDWIA-UKRRQHHQSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC[N@H+]1C ZINC000820658617 599676287 /nfs/dbraw/zinc/67/62/87/599676287.db2.gz UJECUBDGZVDWIA-UKRRQHHQSA-N 0 3 385.476 0.576 20 0 GCADHN NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000822850781 599691223 /nfs/dbraw/zinc/69/12/23/599691223.db2.gz QESWFPSKAXVDPM-GOSISDBHSA-N 0 3 399.499 0.970 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821655797 607443199 /nfs/dbraw/zinc/44/31/99/607443199.db2.gz RSOVLHKNUIIDNH-OSRDXIQISA-N 0 3 386.460 0.911 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821655797 607443200 /nfs/dbraw/zinc/44/32/00/607443200.db2.gz RSOVLHKNUIIDNH-OSRDXIQISA-N 0 3 386.460 0.911 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825848489 607524433 /nfs/dbraw/zinc/52/44/33/607524433.db2.gz DVIUWXLIVKALJM-KURKYZTESA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825848489 607524434 /nfs/dbraw/zinc/52/44/34/607524434.db2.gz DVIUWXLIVKALJM-KURKYZTESA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825848491 607525002 /nfs/dbraw/zinc/52/50/02/607525002.db2.gz DVIUWXLIVKALJM-SQNIBIBYSA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825848491 607525004 /nfs/dbraw/zinc/52/50/04/607525004.db2.gz DVIUWXLIVKALJM-SQNIBIBYSA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825848488 607525056 /nfs/dbraw/zinc/52/50/56/607525056.db2.gz DVIUWXLIVKALJM-FGTMMUONSA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825848488 607525057 /nfs/dbraw/zinc/52/50/57/607525057.db2.gz DVIUWXLIVKALJM-FGTMMUONSA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825849393 607525527 /nfs/dbraw/zinc/52/55/27/607525527.db2.gz LDEQXRPZXUIUMR-KURKYZTESA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825849393 607525529 /nfs/dbraw/zinc/52/55/29/607525529.db2.gz LDEQXRPZXUIUMR-KURKYZTESA-N 0 3 399.499 0.666 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000826183160 607527993 /nfs/dbraw/zinc/52/79/93/607527993.db2.gz GSPLZRJWYBCNFV-KRWDZBQOSA-N 0 3 387.488 0.324 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000825850307 607615081 /nfs/dbraw/zinc/61/50/81/607615081.db2.gz OWAWAIDPTJLXIS-DJIMGWMZSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000825850307 607615082 /nfs/dbraw/zinc/61/50/82/607615082.db2.gz OWAWAIDPTJLXIS-DJIMGWMZSA-N 0 3 386.456 0.956 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)c1-c1nnn[n-]1 ZINC000826301620 607645524 /nfs/dbraw/zinc/64/55/24/607645524.db2.gz KNQIPVIWXCIESI-UHFFFAOYSA-N 0 3 394.501 0.906 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)c1-c1nn[n-]n1 ZINC000826301620 607645525 /nfs/dbraw/zinc/64/55/25/607645525.db2.gz KNQIPVIWXCIESI-UHFFFAOYSA-N 0 3 394.501 0.906 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CCc1nnc(-c3ccccc3)o1)C2 ZINC000826518956 607703918 /nfs/dbraw/zinc/70/39/18/607703918.db2.gz DTRQKRKHWHPGRB-GFCCVEGCSA-N 0 3 392.427 0.987 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CCc1nnc(-c3ccccc3)o1)C2 ZINC000826518956 607703920 /nfs/dbraw/zinc/70/39/20/607703920.db2.gz DTRQKRKHWHPGRB-GFCCVEGCSA-N 0 3 392.427 0.987 20 0 GCADHN Cc1nc(SCC(=O)NC[C@@](C)(O)C[NH+](C)C)c(-c2nnn[n-]2)c(C)c1C ZINC000826327670 607777121 /nfs/dbraw/zinc/77/71/21/607777121.db2.gz PQOKULIUIFQURE-QGZVFWFLSA-N 0 3 393.517 0.708 20 0 GCADHN Cc1nc(SCC(=O)NC[C@@](C)(O)C[NH+](C)C)c(-c2nn[n-]n2)c(C)c1C ZINC000826327670 607777122 /nfs/dbraw/zinc/77/71/22/607777122.db2.gz PQOKULIUIFQURE-QGZVFWFLSA-N 0 3 393.517 0.708 20 0 GCADHN O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000823613420 606085069 /nfs/dbraw/zinc/08/50/69/606085069.db2.gz IOBJKXADWMGKGO-INIZCTEOSA-N 0 3 376.486 0.608 20 0 GCADHN CC(C)OCCN1CCC([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000820145978 606165611 /nfs/dbraw/zinc/16/56/11/606165611.db2.gz HOOJDFVYRFHVEI-CQSZACIVSA-N 0 3 389.508 0.584 20 0 GCADHN CC(C)OCCN1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000820145978 606165613 /nfs/dbraw/zinc/16/56/13/606165613.db2.gz HOOJDFVYRFHVEI-CQSZACIVSA-N 0 3 389.508 0.584 20 0 GCADHN COC1CCN(CCNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000821679948 606198474 /nfs/dbraw/zinc/19/84/74/606198474.db2.gz TXZJAGYNOVIKJR-UHFFFAOYSA-N 0 3 377.424 0.916 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1-c1nnn[n-]1 ZINC000821808419 606225076 /nfs/dbraw/zinc/22/50/76/606225076.db2.gz GKWJBACLUMMQTO-KPZWWZAWSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1-c1nn[n-]n1 ZINC000821808419 606225079 /nfs/dbraw/zinc/22/50/79/606225079.db2.gz GKWJBACLUMMQTO-KPZWWZAWSA-N 0 3 385.428 0.685 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000821651494 606320939 /nfs/dbraw/zinc/32/09/39/606320939.db2.gz AFMNJYGSZFXKQK-SUMWQHHRSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000821651494 606320940 /nfs/dbraw/zinc/32/09/40/606320940.db2.gz AFMNJYGSZFXKQK-SUMWQHHRSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000821651494 606320942 /nfs/dbraw/zinc/32/09/42/606320942.db2.gz AFMNJYGSZFXKQK-SUMWQHHRSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000821651494 606320944 /nfs/dbraw/zinc/32/09/44/606320944.db2.gz AFMNJYGSZFXKQK-SUMWQHHRSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000821651636 606323156 /nfs/dbraw/zinc/32/31/56/606323156.db2.gz CSYOIIMBAAIFJD-QZTJIDSGSA-N 0 3 399.499 0.793 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000821651636 606323158 /nfs/dbraw/zinc/32/31/58/606323158.db2.gz CSYOIIMBAAIFJD-QZTJIDSGSA-N 0 3 399.499 0.793 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000821651638 606323300 /nfs/dbraw/zinc/32/33/00/606323300.db2.gz CSYOIIMBAAIFJD-ZWKOTPCHSA-N 0 3 399.499 0.793 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000821651638 606323303 /nfs/dbraw/zinc/32/33/03/606323303.db2.gz CSYOIIMBAAIFJD-ZWKOTPCHSA-N 0 3 399.499 0.793 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820759776 606333867 /nfs/dbraw/zinc/33/38/67/606333867.db2.gz NPJBZHCATYCUOH-JSGCOSHPSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820759776 606333869 /nfs/dbraw/zinc/33/38/69/606333869.db2.gz NPJBZHCATYCUOH-JSGCOSHPSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000820759776 606333872 /nfs/dbraw/zinc/33/38/72/606333872.db2.gz NPJBZHCATYCUOH-JSGCOSHPSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000820759776 606333873 /nfs/dbraw/zinc/33/38/73/606333873.db2.gz NPJBZHCATYCUOH-JSGCOSHPSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000820542685 606365814 /nfs/dbraw/zinc/36/58/14/606365814.db2.gz QGOQMSXJLOYBGW-CQSZACIVSA-N 0 3 387.488 0.776 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000820542685 606365815 /nfs/dbraw/zinc/36/58/15/606365815.db2.gz QGOQMSXJLOYBGW-CQSZACIVSA-N 0 3 387.488 0.776 20 0 GCADHN O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000823337749 606396960 /nfs/dbraw/zinc/39/69/60/606396960.db2.gz RLBFIPVTTRKQIO-UHFFFAOYSA-N 0 3 387.419 0.935 20 0 GCADHN O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000823337749 606396963 /nfs/dbraw/zinc/39/69/63/606396963.db2.gz RLBFIPVTTRKQIO-UHFFFAOYSA-N 0 3 387.419 0.935 20 0 GCADHN C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821583344 606404795 /nfs/dbraw/zinc/40/47/95/606404795.db2.gz RVPYKIDLRVFLFN-UHFFFAOYSA-N 0 3 393.517 0.312 20 0 GCADHN C[NH+](C)C1CCN(CCNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821583344 606404796 /nfs/dbraw/zinc/40/47/96/606404796.db2.gz RVPYKIDLRVFLFN-UHFFFAOYSA-N 0 3 393.517 0.312 20 0 GCADHN O=C(COc1ccccc1-c1nnn[n-]1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000823050240 606548863 /nfs/dbraw/zinc/54/88/63/606548863.db2.gz SFLNPVHGZLQAIR-UHFFFAOYSA-N 0 3 385.472 0.486 20 0 GCADHN O=C(COc1ccccc1-c1nn[n-]n1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000823050240 606548865 /nfs/dbraw/zinc/54/88/65/606548865.db2.gz SFLNPVHGZLQAIR-UHFFFAOYSA-N 0 3 385.472 0.486 20 0 GCADHN C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821587347 606561559 /nfs/dbraw/zinc/56/15/59/606561559.db2.gz SQOAVQQAHYSRIA-UHFFFAOYSA-N 0 3 377.474 0.458 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000819876947 606623306 /nfs/dbraw/zinc/62/33/06/606623306.db2.gz KWAXFDLSUZNCPD-GJZGRUSLSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819856699 606701639 /nfs/dbraw/zinc/70/16/39/606701639.db2.gz LAAVVZDVPBHNOL-GFCCVEGCSA-N 0 3 375.481 0.828 20 0 GCADHN C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819856699 606701640 /nfs/dbraw/zinc/70/16/40/606701640.db2.gz LAAVVZDVPBHNOL-GFCCVEGCSA-N 0 3 375.481 0.828 20 0 GCADHN Clc1ccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)nc1 ZINC000822578457 606742462 /nfs/dbraw/zinc/74/24/62/606742462.db2.gz IYNDYBHJFUMIBZ-SNVBAGLBSA-N 0 3 375.824 0.822 20 0 GCADHN Clc1ccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)nc1 ZINC000822578457 606742463 /nfs/dbraw/zinc/74/24/63/606742463.db2.gz IYNDYBHJFUMIBZ-SNVBAGLBSA-N 0 3 375.824 0.822 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820129083 606762300 /nfs/dbraw/zinc/76/23/00/606762300.db2.gz WWGYEVBDRXWELG-UHFFFAOYSA-N 0 3 387.444 0.157 20 0 GCADHN C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C[C@@H]1[NH+](C)C ZINC000820760952 606768863 /nfs/dbraw/zinc/76/88/63/606768863.db2.gz UNDIKDZNCNEXST-YFROIQMUSA-N 0 3 398.471 0.473 20 0 GCADHN COc1ccccc1N1CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821897776 606773940 /nfs/dbraw/zinc/77/39/40/606773940.db2.gz KJXHCDUWPWEMOR-ZIAGYGMSSA-N 0 3 395.471 0.982 20 0 GCADHN COc1ccccc1N1CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821897776 606773942 /nfs/dbraw/zinc/77/39/42/606773942.db2.gz KJXHCDUWPWEMOR-ZIAGYGMSSA-N 0 3 395.471 0.982 20 0 GCADHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000820093008 606810524 /nfs/dbraw/zinc/81/05/24/606810524.db2.gz RFKIHJSQPNKMOK-CQSZACIVSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000820093008 606810525 /nfs/dbraw/zinc/81/05/25/606810525.db2.gz RFKIHJSQPNKMOK-CQSZACIVSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000820093008 606810526 /nfs/dbraw/zinc/81/05/26/606810526.db2.gz RFKIHJSQPNKMOK-CQSZACIVSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000820093008 606810527 /nfs/dbraw/zinc/81/05/27/606810527.db2.gz RFKIHJSQPNKMOK-CQSZACIVSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000820093007 606810716 /nfs/dbraw/zinc/81/07/16/606810716.db2.gz RFKIHJSQPNKMOK-AWEZNQCLSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000820093007 606810718 /nfs/dbraw/zinc/81/07/18/606810718.db2.gz RFKIHJSQPNKMOK-AWEZNQCLSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000820093007 606810720 /nfs/dbraw/zinc/81/07/20/606810720.db2.gz RFKIHJSQPNKMOK-AWEZNQCLSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000820093007 606810721 /nfs/dbraw/zinc/81/07/21/606810721.db2.gz RFKIHJSQPNKMOK-AWEZNQCLSA-N 0 3 387.492 0.951 20 0 GCADHN O[C@H](C[NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682947 606858773 /nfs/dbraw/zinc/85/87/73/606858773.db2.gz WIBZUKHBLGZALA-AEFFLSMTSA-N 0 3 390.513 0.698 20 0 GCADHN O[C@H](C[NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682947 606858775 /nfs/dbraw/zinc/85/87/75/606858775.db2.gz WIBZUKHBLGZALA-AEFFLSMTSA-N 0 3 390.513 0.698 20 0 GCADHN O=C([C@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCOCC1 ZINC000822917074 606884236 /nfs/dbraw/zinc/88/42/36/606884236.db2.gz MUQLTDQVXDLGFE-IRXDYDNUSA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCOCC1 ZINC000822917074 606884238 /nfs/dbraw/zinc/88/42/38/606884238.db2.gz MUQLTDQVXDLGFE-IRXDYDNUSA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCOCC1 ZINC000822917074 606884239 /nfs/dbraw/zinc/88/42/39/606884239.db2.gz MUQLTDQVXDLGFE-IRXDYDNUSA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCOCC1 ZINC000822917074 606884241 /nfs/dbraw/zinc/88/42/41/606884241.db2.gz MUQLTDQVXDLGFE-IRXDYDNUSA-N 0 3 386.456 0.471 20 0 GCADHN O=C(C1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1)N1CCOCC1 ZINC000822917737 606885381 /nfs/dbraw/zinc/88/53/81/606885381.db2.gz WBMMGUJHHCPZRN-KRWDZBQOSA-N 0 3 386.456 0.471 20 0 GCADHN COCCCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821687823 606887427 /nfs/dbraw/zinc/88/74/27/606887427.db2.gz QHEMTQBKJWEPOY-QGZVFWFLSA-N 0 3 388.472 0.765 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C)CC1 ZINC000819796468 606904501 /nfs/dbraw/zinc/90/45/01/606904501.db2.gz JFWLUKXRIUFTNI-GDIGMMSISA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C)CC1 ZINC000819796468 606904502 /nfs/dbraw/zinc/90/45/02/606904502.db2.gz JFWLUKXRIUFTNI-GDIGMMSISA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C)CC1 ZINC000819796468 606904505 /nfs/dbraw/zinc/90/45/05/606904505.db2.gz JFWLUKXRIUFTNI-GDIGMMSISA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C)CC1 ZINC000819796468 606904507 /nfs/dbraw/zinc/90/45/07/606904507.db2.gz JFWLUKXRIUFTNI-GDIGMMSISA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C[C@H]2C)CC1 ZINC000819796471 606904668 /nfs/dbraw/zinc/90/46/68/606904668.db2.gz JFWLUKXRIUFTNI-ZMYBRWDISA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C[C@H]2C)CC1 ZINC000819796471 606904671 /nfs/dbraw/zinc/90/46/71/606904671.db2.gz JFWLUKXRIUFTNI-ZMYBRWDISA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C[C@H]2C)CC1 ZINC000819796471 606904672 /nfs/dbraw/zinc/90/46/72/606904672.db2.gz JFWLUKXRIUFTNI-ZMYBRWDISA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C[C@H]2C)CC1 ZINC000819796471 606904674 /nfs/dbraw/zinc/90/46/74/606904674.db2.gz JFWLUKXRIUFTNI-ZMYBRWDISA-N 0 3 399.499 0.385 20 0 GCADHN C[C@]1(C2CC[NH+](CCCOc3cccc(-c4nnn[n-]4)c3)CC2)NC(=O)NC1=O ZINC000820613287 606911073 /nfs/dbraw/zinc/91/10/73/606911073.db2.gz YXPAQETZKQFKIP-LJQANCHMSA-N 0 3 399.455 0.946 20 0 GCADHN C[C@]1(C2CC[NH+](CCCOc3cccc(-c4nn[n-]n4)c3)CC2)NC(=O)NC1=O ZINC000820613287 606911075 /nfs/dbraw/zinc/91/10/75/606911075.db2.gz YXPAQETZKQFKIP-LJQANCHMSA-N 0 3 399.455 0.946 20 0 GCADHN CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820901666 606986867 /nfs/dbraw/zinc/98/68/67/606986867.db2.gz DHRDLPOGASJYDQ-OAHLLOKOSA-N 0 3 399.503 0.968 20 0 GCADHN CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820901666 606986869 /nfs/dbraw/zinc/98/68/69/606986869.db2.gz DHRDLPOGASJYDQ-OAHLLOKOSA-N 0 3 399.503 0.968 20 0 GCADHN CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820902362 606987007 /nfs/dbraw/zinc/98/70/07/606987007.db2.gz KDHUEARHRICKMA-MRXNPFEDSA-N 0 3 399.503 0.968 20 0 GCADHN CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820902362 606987008 /nfs/dbraw/zinc/98/70/08/606987008.db2.gz KDHUEARHRICKMA-MRXNPFEDSA-N 0 3 399.503 0.968 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625431 607030786 /nfs/dbraw/zinc/03/07/86/607030786.db2.gz NMSOAAKPLPNOCP-RISCZKNCSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625431 607030788 /nfs/dbraw/zinc/03/07/88/607030788.db2.gz NMSOAAKPLPNOCP-RISCZKNCSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625431 607030790 /nfs/dbraw/zinc/03/07/90/607030790.db2.gz NMSOAAKPLPNOCP-RISCZKNCSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625431 607030792 /nfs/dbraw/zinc/03/07/92/607030792.db2.gz NMSOAAKPLPNOCP-RISCZKNCSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC[C@@H]21 ZINC000821625151 607095137 /nfs/dbraw/zinc/09/51/37/607095137.db2.gz GQCFVBAZHNVDCC-NHYWBVRUSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC[C@@H]21 ZINC000821625151 607095139 /nfs/dbraw/zinc/09/51/39/607095139.db2.gz GQCFVBAZHNVDCC-NHYWBVRUSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC[C@@H]21 ZINC000821625151 607095141 /nfs/dbraw/zinc/09/51/41/607095141.db2.gz GQCFVBAZHNVDCC-NHYWBVRUSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC[C@@H]21 ZINC000821625151 607095143 /nfs/dbraw/zinc/09/51/43/607095143.db2.gz GQCFVBAZHNVDCC-NHYWBVRUSA-N 0 3 387.419 0.887 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000821755408 607095281 /nfs/dbraw/zinc/09/52/81/607095281.db2.gz GAMXFFUDEQPETF-DZGCQCFKSA-N 0 3 399.455 0.757 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000821755408 607095283 /nfs/dbraw/zinc/09/52/83/607095283.db2.gz GAMXFFUDEQPETF-DZGCQCFKSA-N 0 3 399.455 0.757 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625711 607102981 /nfs/dbraw/zinc/10/29/81/607102981.db2.gz UNVKZRPKNCYHCH-ZFWWWQNUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625711 607102982 /nfs/dbraw/zinc/10/29/82/607102982.db2.gz UNVKZRPKNCYHCH-ZFWWWQNUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625711 607102984 /nfs/dbraw/zinc/10/29/84/607102984.db2.gz UNVKZRPKNCYHCH-ZFWWWQNUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625711 607102986 /nfs/dbraw/zinc/10/29/86/607102986.db2.gz UNVKZRPKNCYHCH-ZFWWWQNUSA-N 0 3 385.476 0.799 20 0 GCADHN COC(=O)CC1([NH2+]CCC(=O)Nc2sccc2-c2nnn[n-]2)CCOCC1 ZINC000821658807 607176191 /nfs/dbraw/zinc/17/61/91/607176191.db2.gz JGNHGTSSDNISNZ-UHFFFAOYSA-N 0 3 394.457 0.959 20 0 GCADHN COC(=O)CC1([NH2+]CCC(=O)Nc2sccc2-c2nn[n-]n2)CCOCC1 ZINC000821658807 607176192 /nfs/dbraw/zinc/17/61/92/607176192.db2.gz JGNHGTSSDNISNZ-UHFFFAOYSA-N 0 3 394.457 0.959 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000826503614 607801868 /nfs/dbraw/zinc/80/18/68/607801868.db2.gz BJWURDOBJVEADD-INIZCTEOSA-N 0 3 384.444 0.610 20 0 GCADHN C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cn1 ZINC000825870669 607944002 /nfs/dbraw/zinc/94/40/02/607944002.db2.gz XQWAHWZDJBHMAQ-UHFFFAOYSA-N 0 3 395.427 0.153 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000826249516 608006474 /nfs/dbraw/zinc/00/64/74/608006474.db2.gz GQNJUNGVNMSXIA-INIZCTEOSA-N 0 3 387.488 0.997 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c(cc2O)OCO3)c1-c1nnn[n-]1 ZINC000826077670 608021178 /nfs/dbraw/zinc/02/11/78/608021178.db2.gz QAHNPBCNYYFHCC-UHFFFAOYSA-N 0 3 386.372 0.428 20 0 GCADHN C[NH+](C)CCOc1cc(CNC(=O)COc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000825870544 608103192 /nfs/dbraw/zinc/10/31/92/608103192.db2.gz QRCIOVWADRDZTG-UHFFFAOYSA-N 0 3 397.439 0.897 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826436258 608107142 /nfs/dbraw/zinc/10/71/42/608107142.db2.gz NYCNTWWLZVBQKZ-GFCCVEGCSA-N 0 3 379.852 0.882 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826436258 608107143 /nfs/dbraw/zinc/10/71/43/608107143.db2.gz NYCNTWWLZVBQKZ-GFCCVEGCSA-N 0 3 379.852 0.882 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826436258 608107144 /nfs/dbraw/zinc/10/71/44/608107144.db2.gz NYCNTWWLZVBQKZ-GFCCVEGCSA-N 0 3 379.852 0.882 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826436258 608107145 /nfs/dbraw/zinc/10/71/45/608107145.db2.gz NYCNTWWLZVBQKZ-GFCCVEGCSA-N 0 3 379.852 0.882 20 0 GCADHN C[NH+](C)CCOc1cc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825870556 608108434 /nfs/dbraw/zinc/10/84/34/608108434.db2.gz RAFQBBWRAQAWDL-UHFFFAOYSA-N 0 3 396.455 0.930 20 0 GCADHN COc1ccc([C@@H](CCO)[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000826188787 608112371 /nfs/dbraw/zinc/11/23/71/608112371.db2.gz GODIXJABUPZNSN-MLGOLLRUSA-N 0 3 384.444 0.827 20 0 GCADHN COc1ccc([C@@H](CCO)[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000826188787 608112372 /nfs/dbraw/zinc/11/23/72/608112372.db2.gz GODIXJABUPZNSN-MLGOLLRUSA-N 0 3 384.444 0.827 20 0 GCADHN CN1C(=O)C(=C(N)NOCc2cccc(-c3nnn[n-]3)c2)C(=[NH2+])C12CCCC2 ZINC000826010300 608150419 /nfs/dbraw/zinc/15/04/19/608150419.db2.gz HUDUECOOEWEUKY-UHFFFAOYSA-N 0 3 382.428 0.863 20 0 GCADHN CN1C(=O)C(=C(N)NOCc2cccc(-c3nn[n-]n3)c2)C(=[NH2+])C12CCCC2 ZINC000826010300 608150421 /nfs/dbraw/zinc/15/04/21/608150421.db2.gz HUDUECOOEWEUKY-UHFFFAOYSA-N 0 3 382.428 0.863 20 0 GCADHN C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[NH+]1CCCCCC1 ZINC000824039195 608212246 /nfs/dbraw/zinc/21/22/46/608212246.db2.gz CODKTUSGMJOGKX-LBPRGKRZSA-N 0 3 375.481 0.828 20 0 GCADHN C[N@H+](CCO)C1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000825941172 608331831 /nfs/dbraw/zinc/33/18/31/608331831.db2.gz CACBHEZYQVZNKT-UHFFFAOYSA-N 0 3 398.464 0.224 20 0 GCADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000825941172 608331833 /nfs/dbraw/zinc/33/18/33/608331833.db2.gz CACBHEZYQVZNKT-UHFFFAOYSA-N 0 3 398.464 0.224 20 0 GCADHN C[N@H+](CCO)C1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000825941172 608331835 /nfs/dbraw/zinc/33/18/35/608331835.db2.gz CACBHEZYQVZNKT-UHFFFAOYSA-N 0 3 398.464 0.224 20 0 GCADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000825941172 608331836 /nfs/dbraw/zinc/33/18/36/608331836.db2.gz CACBHEZYQVZNKT-UHFFFAOYSA-N 0 3 398.464 0.224 20 0 GCADHN CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000824305057 608363319 /nfs/dbraw/zinc/36/33/19/608363319.db2.gz KGNQPFJPOPVVEZ-UHFFFAOYSA-N 0 3 375.408 0.933 20 0 GCADHN CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000824305057 608363322 /nfs/dbraw/zinc/36/33/22/608363322.db2.gz KGNQPFJPOPVVEZ-UHFFFAOYSA-N 0 3 375.408 0.933 20 0 GCADHN COc1ccc2c(c1)OC[C@H]([NH2+]C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000826212881 608450926 /nfs/dbraw/zinc/45/09/26/608450926.db2.gz DJSAAMRAQKVTCJ-DGCLKSJQSA-N 0 3 382.428 0.707 20 0 GCADHN COc1ccc2c(c1)OC[C@H]([NH2+]C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000826212881 608450928 /nfs/dbraw/zinc/45/09/28/608450928.db2.gz DJSAAMRAQKVTCJ-DGCLKSJQSA-N 0 3 382.428 0.707 20 0 GCADHN COc1ccc2c(c1)OC[C@H]([NH2+]C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000826212882 608451493 /nfs/dbraw/zinc/45/14/93/608451493.db2.gz DJSAAMRAQKVTCJ-WCQYABFASA-N 0 3 382.428 0.707 20 0 GCADHN COc1ccc2c(c1)OC[C@H]([NH2+]C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000826212882 608451495 /nfs/dbraw/zinc/45/14/95/608451495.db2.gz DJSAAMRAQKVTCJ-WCQYABFASA-N 0 3 382.428 0.707 20 0 GCADHN O=S1(=O)CCC(CC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000826496326 608569650 /nfs/dbraw/zinc/56/96/50/608569650.db2.gz SIUSYQUQJDBSCZ-UHFFFAOYSA-N 0 3 375.458 0.819 20 0 GCADHN O=S1(=O)CCC(CC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000826496326 608569651 /nfs/dbraw/zinc/56/96/51/608569651.db2.gz SIUSYQUQJDBSCZ-UHFFFAOYSA-N 0 3 375.458 0.819 20 0 GCADHN C[NH+]1CCC2(CCCN2C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826028589 608594919 /nfs/dbraw/zinc/59/49/19/608594919.db2.gz CZHHBFTWPKQQDW-UHFFFAOYSA-N 0 3 383.456 0.683 20 0 GCADHN C[NH+]1CCC2(CCCN2C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826028589 608594920 /nfs/dbraw/zinc/59/49/20/608594920.db2.gz CZHHBFTWPKQQDW-UHFFFAOYSA-N 0 3 383.456 0.683 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826160078 608620690 /nfs/dbraw/zinc/62/06/90/608620690.db2.gz DOQWVOBCQLQSOL-ZFWWWQNUSA-N 0 3 398.471 0.878 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826160078 608620693 /nfs/dbraw/zinc/62/06/93/608620693.db2.gz DOQWVOBCQLQSOL-ZFWWWQNUSA-N 0 3 398.471 0.878 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3cc(-c4nnn[n-]4)cs3)C[C@@H]2C)CC1 ZINC000823980453 608747116 /nfs/dbraw/zinc/74/71/16/608747116.db2.gz DDVIKFBMAVXRFD-BLLLJJGKSA-N 0 3 375.502 0.913 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](Cc3cc(-c4nnn[n-]4)cs3)C[C@@H]2C)CC1 ZINC000823980453 608747119 /nfs/dbraw/zinc/74/71/19/608747119.db2.gz DDVIKFBMAVXRFD-BLLLJJGKSA-N 0 3 375.502 0.913 20 0 GCADHN C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824592444 609141317 /nfs/dbraw/zinc/14/13/17/609141317.db2.gz NCZZBZBBKDEVSB-LBPRGKRZSA-N 0 3 397.480 0.234 20 0 GCADHN C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824592444 609141319 /nfs/dbraw/zinc/14/13/19/609141319.db2.gz NCZZBZBBKDEVSB-LBPRGKRZSA-N 0 3 397.480 0.234 20 0 GCADHN Cc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258932 609164593 /nfs/dbraw/zinc/16/45/93/609164593.db2.gz BNSBYIZZZGGEPN-GOSISDBHSA-N 0 3 384.444 0.403 20 0 GCADHN Cc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258932 609164595 /nfs/dbraw/zinc/16/45/95/609164595.db2.gz BNSBYIZZZGGEPN-GOSISDBHSA-N 0 3 384.444 0.403 20 0 GCADHN CN1CCCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826034462 609203010 /nfs/dbraw/zinc/20/30/10/609203010.db2.gz RKQOFPCVQJFVQY-INIZCTEOSA-N 0 3 398.471 0.709 20 0 GCADHN C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000825856438 609203133 /nfs/dbraw/zinc/20/31/33/609203133.db2.gz WGYUYCSOSIIXIO-HOTGVXAUSA-N 0 3 398.471 0.708 20 0 GCADHN O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826433894 609224778 /nfs/dbraw/zinc/22/47/78/609224778.db2.gz VAUNZWXQQVJWJW-MRXNPFEDSA-N 0 3 386.456 0.661 20 0 GCADHN O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826433894 609224779 /nfs/dbraw/zinc/22/47/79/609224779.db2.gz VAUNZWXQQVJWJW-MRXNPFEDSA-N 0 3 386.456 0.661 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826028950 609231470 /nfs/dbraw/zinc/23/14/70/609231470.db2.gz LCQNHANJIWISDN-DLBZAZTESA-N 0 3 385.472 0.139 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826028950 609231471 /nfs/dbraw/zinc/23/14/71/609231471.db2.gz LCQNHANJIWISDN-DLBZAZTESA-N 0 3 385.472 0.139 20 0 GCADHN Cn1cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361503 609336232 /nfs/dbraw/zinc/33/62/32/609336232.db2.gz ZSVRYABJDFHDFJ-GFCCVEGCSA-N 0 3 387.469 0.792 20 0 GCADHN Cn1cc(C[NH2+]CCC(=O)N2CCOCC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361598 609337954 /nfs/dbraw/zinc/33/79/54/609337954.db2.gz FFRVKXKEZDBHJY-UHFFFAOYSA-N 0 3 396.455 0.606 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000826357844 609376582 /nfs/dbraw/zinc/37/65/82/609376582.db2.gz SVXQOKROHOOBKU-INIZCTEOSA-N 0 3 381.440 0.702 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000826357844 609376585 /nfs/dbraw/zinc/37/65/85/609376585.db2.gz SVXQOKROHOOBKU-INIZCTEOSA-N 0 3 381.440 0.702 20 0 GCADHN O=C1[C@H]([NH2+][C@@H]2CCc3ncnn3C2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476531 609415496 /nfs/dbraw/zinc/41/54/96/609415496.db2.gz JUZGNILCEQVENK-UKRRQHHQSA-N 0 3 379.428 0.558 20 0 GCADHN O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826443470 609417008 /nfs/dbraw/zinc/41/70/08/609417008.db2.gz QMHBXBHSVKIKMU-INIZCTEOSA-N 0 3 379.424 0.758 20 0 GCADHN O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826443470 609417011 /nfs/dbraw/zinc/41/70/11/609417011.db2.gz QMHBXBHSVKIKMU-INIZCTEOSA-N 0 3 379.424 0.758 20 0 GCADHN O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826443470 609417013 /nfs/dbraw/zinc/41/70/13/609417013.db2.gz QMHBXBHSVKIKMU-INIZCTEOSA-N 0 3 379.424 0.758 20 0 GCADHN O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826443470 609417015 /nfs/dbraw/zinc/41/70/15/609417015.db2.gz QMHBXBHSVKIKMU-INIZCTEOSA-N 0 3 379.424 0.758 20 0 GCADHN C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826022820 609625424 /nfs/dbraw/zinc/62/54/24/609625424.db2.gz SPTZYPMLHBDXOQ-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826022820 609625425 /nfs/dbraw/zinc/62/54/25/609625425.db2.gz SPTZYPMLHBDXOQ-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(N)ncc3Cl)CC2)C[C@@H](C)O1 ZINC000891744073 638510182 /nfs/dbraw/zinc/51/01/82/638510182.db2.gz XDXYDKFMXVCBOO-VXGBXAGGSA-N 0 3 389.909 0.793 20 0 GCADHN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866874075 638540734 /nfs/dbraw/zinc/54/07/34/638540734.db2.gz KTOIEWZFHRWPAL-MRVPVSSYSA-N 0 3 386.259 0.643 20 0 GCADHN C[C@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC000893046634 638607649 /nfs/dbraw/zinc/60/76/49/638607649.db2.gz HBUPJUBZYDHBIX-QWHCGFSZSA-N 0 3 387.937 0.845 20 0 GCADHN Cc1ncc(I)c(N(CCN(C)C)CC(=O)N(C)C)n1 ZINC000894547173 638704035 /nfs/dbraw/zinc/70/40/35/638704035.db2.gz SGWBRVVDULUATQ-UHFFFAOYSA-N 0 3 391.257 0.846 20 0 GCADHN COCCN(C)CCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000726977408 638722978 /nfs/dbraw/zinc/72/29/78/638722978.db2.gz URMIKGZJTWMYNU-CYBMUJFWSA-N 0 3 378.926 0.872 20 0 GCADHN Cn1ncc(I)c1CNCCCN1CCC[C@H]1C(N)=O ZINC000895391557 638750005 /nfs/dbraw/zinc/75/00/05/638750005.db2.gz ZELZGZFUXHCENA-NSHDSACASA-N 0 3 391.257 0.454 20 0 GCADHN CS[C@H]1CN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)C[C@@H]1N(C)C ZINC000897237332 639089914 /nfs/dbraw/zinc/08/99/14/639089914.db2.gz HKARFZQKPKFJBC-KBPBESRZSA-N 0 3 390.506 0.389 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCCS(=O)(=O)N2CCSCC2)C1(C)C ZINC000262780136 639138037 /nfs/dbraw/zinc/13/80/37/639138037.db2.gz KRXTVAJSJAEDPD-IUODEOHRSA-N 0 3 379.548 0.014 20 0 GCADHN CN1CCN(CC2CN(C(=O)c3c[nH]nc3I)C2)CC1 ZINC000897840164 639211884 /nfs/dbraw/zinc/21/18/84/639211884.db2.gz AFJOONYIZMPVKL-UHFFFAOYSA-N 0 3 389.241 0.334 20 0 GCADHN CN(CCO)CCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000899731706 639271285 /nfs/dbraw/zinc/27/12/85/639271285.db2.gz HGDTTZTYHTVFTO-GFCCVEGCSA-N 0 3 384.274 0.842 20 0 GCADHN CN(CCO)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000899731761 639271510 /nfs/dbraw/zinc/27/15/10/639271510.db2.gz JNSOIXDYZPQJFC-ZDUSSCGKSA-N 0 3 375.516 0.332 20 0 GCADHN CN(CCO)CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000899731571 639273700 /nfs/dbraw/zinc/27/37/00/639273700.db2.gz ATMWKBAZMNEVJL-UHFFFAOYSA-N 0 3 383.246 0.199 20 0 GCADHN COc1ccc(C(=O)NCCN(C)CCO)cc1I ZINC000899734518 639274475 /nfs/dbraw/zinc/27/44/75/639274475.db2.gz JCOUBTOGZRAHBY-UHFFFAOYSA-N 0 3 378.210 0.954 20 0 GCADHN CN1CCN(CCCNC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000899991412 639279616 /nfs/dbraw/zinc/27/96/16/639279616.db2.gz LYACMIWNBAZLHS-UHFFFAOYSA-N 0 3 381.278 0.859 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC000907746983 639416352 /nfs/dbraw/zinc/41/63/52/639416352.db2.gz BNMYSDRXVZJDDW-AXFHLTTASA-N 0 3 375.365 0.690 20 0 GCADHN O=C(c1c[nH]nc1I)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000908201870 639444282 /nfs/dbraw/zinc/44/42/82/639444282.db2.gz MNVLUFJDJHEJNH-IUCAKERBSA-N 0 3 376.198 0.295 20 0 GCADHN Cn1cc(C(=O)N[C@H](CO)CN2CCCC2)c(I)n1 ZINC000908206827 639445360 /nfs/dbraw/zinc/44/53/60/639445360.db2.gz UBNMTAFWUBBAEP-VIFPVBQESA-N 0 3 378.214 0.211 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)N(CCO)C2CCN(C)CC2)CC1 ZINC000911936621 639525377 /nfs/dbraw/zinc/52/53/77/639525377.db2.gz JGPASMHTAAYIHO-UHFFFAOYSA-N 0 3 375.535 0.400 20 0 GCADHN CN1CCNC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000912055605 639528335 /nfs/dbraw/zinc/52/83/35/639528335.db2.gz AGSGPTNIHCBKDE-CQSZACIVSA-N 0 3 386.905 0.077 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000914091236 639697777 /nfs/dbraw/zinc/69/77/77/639697777.db2.gz XNYHPBSIVHXROL-CQSZACIVSA-N 0 3 376.523 0.810 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000914192898 639706989 /nfs/dbraw/zinc/70/69/89/639706989.db2.gz KDKXMXZEUHIMAY-CQSZACIVSA-N 0 3 390.575 0.668 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000730571420 639732593 /nfs/dbraw/zinc/73/25/93/639732593.db2.gz RDCYKJOYPPZRNM-GXTWGEPZSA-N 0 3 377.894 0.585 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000730571422 639732836 /nfs/dbraw/zinc/73/28/36/639732836.db2.gz RDCYKJOYPPZRNM-JSGCOSHPSA-N 0 3 377.894 0.585 20 0 GCADHN CS(=O)(=O)NCC[C@@H]1CCCCN1CCc1ccc(S(N)(=O)=O)cc1 ZINC000730937702 639747011 /nfs/dbraw/zinc/74/70/11/639747011.db2.gz CVFIKFKJSIKBJQ-HNNXBMFYSA-N 0 3 389.543 0.670 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000916663749 639831610 /nfs/dbraw/zinc/83/16/10/639831610.db2.gz MZZZVTWRMRTKQK-UONOGXRCSA-N 0 3 387.527 0.557 20 0 GCADHN C[NH+](C)CCOCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000788072490 640028591 /nfs/dbraw/zinc/02/85/91/640028591.db2.gz SKKOQJHOWFTHBT-UHFFFAOYSA-N 0 3 390.936 0.662 20 0 GCADHN Cn1nnc(Br)c1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000702587378 640123821 /nfs/dbraw/zinc/12/38/21/640123821.db2.gz NVHLAVWKKHXHQM-MRXNPFEDSA-N 0 3 394.273 0.944 20 0 GCADHN O=C(Nc1ccc(Cl)cn1)C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923591547 640144479 /nfs/dbraw/zinc/14/44/79/640144479.db2.gz 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ZINC000762713927 640613979 /nfs/dbraw/zinc/61/39/79/640613979.db2.gz AUJJJKOIDIQQJY-MRXNPFEDSA-N 0 3 387.889 0.676 20 0 GCADHN CON(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(O)CCN(C)C2)ccc1Cl ZINC000762720730 640614644 /nfs/dbraw/zinc/61/46/44/640614644.db2.gz YXCMHDQGBZIVRZ-OAHLLOKOSA-N 0 3 391.877 0.318 20 0 GCADHN COCCOCCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765328365 640667569 /nfs/dbraw/zinc/66/75/69/640667569.db2.gz RIXOPHBFCDCJNW-CYBMUJFWSA-N 0 3 394.515 0.726 20 0 GCADHN Cc1n[nH]c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1Br ZINC000766345706 640694552 /nfs/dbraw/zinc/69/45/52/640694552.db2.gz UUJFKXJAZHTTQM-NSHDSACASA-N 0 3 384.278 0.859 20 0 GCADHN CCN(CCO)CCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000768946832 640766331 /nfs/dbraw/zinc/76/63/31/640766331.db2.gz VUIDPOSTTFSLAH-ZDUSSCGKSA-N 0 3 378.926 0.608 20 0 GCADHN CS[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C[C@@H]1N(C)C ZINC000772845621 640850296 /nfs/dbraw/zinc/85/02/96/640850296.db2.gz LSQWNXVTOPIVLT-QWHCGFSZSA-N 0 3 383.495 0.335 20 0 GCADHN CN1CCC(NC(=S)NCCOc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000773178867 640859338 /nfs/dbraw/zinc/85/93/38/640859338.db2.gz SUEFWPQURRCREH-UHFFFAOYSA-N 0 3 386.543 0.995 20 0 GCADHN CS[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C[C@@H]1N1CCCC1 ZINC000773305518 640862471 /nfs/dbraw/zinc/86/24/71/640862471.db2.gz GJVYGJGRNUYMPO-LSDHHAIUSA-N 0 3 391.559 0.582 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000775157068 641067843 /nfs/dbraw/zinc/06/78/43/641067843.db2.gz AZPVRLVBRCVXJL-GFCCVEGCSA-N 0 3 391.299 0.063 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775162201 641069298 /nfs/dbraw/zinc/06/92/98/641069298.db2.gz CWVGKADBPIXDPE-STQMWFEESA-N 0 3 379.332 0.686 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000775167088 641070104 /nfs/dbraw/zinc/07/01/04/641070104.db2.gz XUBPKVYXRXFQEM-GFCCVEGCSA-N 0 3 393.315 0.309 20 0 GCADHN O=C(c1cc(I)c[nH]1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861712859 641162312 /nfs/dbraw/zinc/16/23/12/641162312.db2.gz VCLJLONDXICHNU-WDEREUQCSA-N 0 3 375.210 0.900 20 0 GCADHN O=C(CN1C(=S)N=NC1c1cccs1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861710346 641162473 /nfs/dbraw/zinc/16/24/73/641162473.db2.gz OQIBEOCEDGGCKI-NWDGAFQWSA-N 0 3 379.511 0.963 20 0 GCADHN C[C@H]1CCCN1CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000780865121 641220297 /nfs/dbraw/zinc/22/02/97/641220297.db2.gz DDBODUMJKXIEFU-AWEZNQCLSA-N 0 3 375.516 0.369 20 0 GCADHN CN1CCN(C)[C@H](CNC(=O)c2ccc(I)cc2O)C1 ZINC000865706601 641285173 /nfs/dbraw/zinc/28/51/73/641285173.db2.gz XMSIKFGPEGLZSB-LLVKDONJSA-N 0 3 389.237 0.972 20 0 GCADHN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866739849 641321690 /nfs/dbraw/zinc/32/16/90/641321690.db2.gz KOGIVUTXHDVFCT-MRVPVSSYSA-N 0 3 386.259 0.676 20 0 GCADHN C[C@H]1C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866761046 641326191 /nfs/dbraw/zinc/32/61/91/641326191.db2.gz PGLSFYKQSXANIG-YUMQZZPRSA-N 0 3 384.243 0.301 20 0 GCADHN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866765874 641328185 /nfs/dbraw/zinc/32/81/85/641328185.db2.gz CORCAEGSVROKDY-QMMMGPOBSA-N 0 3 386.259 0.821 20 0 GCADHN Cn1ncc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)c1I ZINC000866778995 641330895 /nfs/dbraw/zinc/33/08/95/641330895.db2.gz LEOXZIUHFNQOKV-RNFRBKRXSA-N 0 3 388.206 0.085 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cn1ccc(Br)cc1=O ZINC000867480412 641345596 /nfs/dbraw/zinc/34/55/96/641345596.db2.gz TXWZPQRNFXMEMY-CYBMUJFWSA-N 0 3 385.306 0.753 20 0 GCADHN C[C@@H](CN(C)CCC[NH+](C)C)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867500761 641347809 /nfs/dbraw/zinc/34/78/09/641347809.db2.gz DIVXMMOFARDMJE-NSHDSACASA-N 0 3 396.355 0.733 20 0 GCADHN O=S(=O)(c1nc[nH]c1Br)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000867534748 641351980 /nfs/dbraw/zinc/35/19/80/641351980.db2.gz ZQFPUVLXFHWTFR-SNVBAGLBSA-N 0 3 379.280 0.392 20 0 GCADHN Cn1ncc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1C(F)(F)F ZINC000867533402 641352338 /nfs/dbraw/zinc/35/23/38/641352338.db2.gz BNLYQCIFHBCWNL-LLVKDONJSA-N 0 3 382.408 0.659 20 0 GCADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)CC1(CC(=O)OC)CC1 ZINC000867581016 641358792 /nfs/dbraw/zinc/35/87/92/641358792.db2.gz GQWHAWXDEYXKQB-UHFFFAOYSA-N 0 3 376.519 0.950 20 0 GCADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)CCCN1CCOCC1 ZINC000867581218 641358808 /nfs/dbraw/zinc/35/88/08/641358808.db2.gz KFEBFSZCZNZAEL-UHFFFAOYSA-N 0 3 377.551 0.329 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000788913988 641379311 /nfs/dbraw/zinc/37/93/11/641379311.db2.gz SWPHPRKLZXTFMN-HUUCEWRRSA-N 0 3 376.523 0.715 20 0 GCADHN C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC[C@H]21 ZINC000867812280 641380889 /nfs/dbraw/zinc/38/08/89/641380889.db2.gz JCJMIVYGWAYUDN-XHDPSFHLSA-N 0 3 391.490 0.912 20 0 GCADHN C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC[C@H]21 ZINC000867812280 641380892 /nfs/dbraw/zinc/38/08/92/641380892.db2.gz JCJMIVYGWAYUDN-XHDPSFHLSA-N 0 3 391.490 0.912 20 0 GCADHN CC(C)n1ncc(C(=O)NC[C@@H]2CNCCO2)c1I ZINC000867980302 641392722 /nfs/dbraw/zinc/39/27/22/641392722.db2.gz UTEQZEBFVIAJHT-VIFPVBQESA-N 0 3 378.214 0.787 20 0 GCADHN CC(C)n1ncc(C(=O)N[C@H](CO)CN(C)C)c1I ZINC000868345284 641402444 /nfs/dbraw/zinc/40/24/44/641402444.db2.gz FIWQSCNDUDZPIE-VIFPVBQESA-N 0 3 380.230 0.721 20 0 GCADHN Cn1nc(I)cc1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000868344016 641402561 /nfs/dbraw/zinc/40/25/61/641402561.db2.gz NMZQLEZOIWBVIA-NXEZZACHSA-N 0 3 390.225 0.306 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)CC(F)(F)C(F)(F)F)CC1=O ZINC000868387994 641403737 /nfs/dbraw/zinc/40/37/37/641403737.db2.gz QTBIPZZPKLGPDJ-JTQLQIEISA-N 0 3 375.338 0.869 20 0 GCADHN Cc1ccc(Br)cc1NC(=O)CNS(=O)(=O)N1CCNCC1 ZINC000923606022 641416234 /nfs/dbraw/zinc/41/62/34/641416234.db2.gz OCGQWHWTMGTEBP-UHFFFAOYSA-N 0 3 391.291 0.436 20 0 GCADHN CN(C)CCN1CCN(C(=O)NCc2ncc(Br)s2)CC1=O ZINC000869196345 641418493 /nfs/dbraw/zinc/41/84/93/641418493.db2.gz JQTGCQOHIARJME-UHFFFAOYSA-N 0 3 390.307 0.821 20 0 GCADHN O=C(c1cc2occc2s1)N1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923617454 641433422 /nfs/dbraw/zinc/43/34/22/641433422.db2.gz CWNXGBXIKSXEKC-UHFFFAOYSA-N 0 3 384.483 0.402 20 0 GCADHN O=S(=O)(NCCN1CCN(c2cccc(Cl)c2)CC1)N1CCNCC1 ZINC000923631998 641455480 /nfs/dbraw/zinc/45/54/80/641455480.db2.gz WNJQAGGCUJCKMU-UHFFFAOYSA-N 0 3 387.937 0.202 20 0 GCADHN CN1CCC[C@@H](N2CCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC2)C1 ZINC000872450156 641470165 /nfs/dbraw/zinc/47/01/65/641470165.db2.gz WOHXSDOHBRHVCR-FATZIPQQSA-N 0 3 380.580 0.839 20 0 GCADHN Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCCOCCS(C)(=O)=O ZINC000794819838 641498204 /nfs/dbraw/zinc/49/82/04/641498204.db2.gz XYCCEFXBDLDDSC-ZDUSSCGKSA-N 0 3 378.516 0.663 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=S)NC1CCN(C)CC1)C(F)(F)F ZINC000795109358 641506036 /nfs/dbraw/zinc/50/60/36/641506036.db2.gz YMXKGRBYKMZFAB-JTQLQIEISA-N 0 3 376.470 0.367 20 0 GCADHN CC(C)(O)CN1CC[C@H](NC(=O)C(=O)Nc2nc3c(s2)CSCC3)C1 ZINC000873973128 641514037 /nfs/dbraw/zinc/51/40/37/641514037.db2.gz 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/nfs/dbraw/zinc/56/91/63/641569163.db2.gz JXTJVRZRABTGHY-HNNXBMFYSA-N 0 3 383.290 0.776 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876910821 641571845 /nfs/dbraw/zinc/57/18/45/641571845.db2.gz NIDCZDMDLPWHEP-ZANVPECISA-N 0 3 381.832 0.821 20 0 GCADHN C[NH2+]CCOCCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000877025912 641573679 /nfs/dbraw/zinc/57/36/79/641573679.db2.gz ZVCYVAJBRMIKEA-UHFFFAOYSA-N 0 3 377.413 0.371 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877347270 641578976 /nfs/dbraw/zinc/57/89/76/641578976.db2.gz SGXCUULYLMCARM-CVEARBPZSA-N 0 3 385.555 0.878 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCCN2CCCC2)cc1 ZINC000798463726 641586717 /nfs/dbraw/zinc/58/67/17/641586717.db2.gz ALECRRNJJLVWGP-UHFFFAOYSA-N 0 3 375.516 0.701 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878196713 641590066 /nfs/dbraw/zinc/59/00/66/641590066.db2.gz AALZDRYLLQKFEK-NWDGAFQWSA-N 0 3 387.278 0.709 20 0 GCADHN 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384.322 0.964 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N[C@H](CO)CN1CCCC1 ZINC000808218111 641682122 /nfs/dbraw/zinc/68/21/22/641682122.db2.gz FORCQKGEJXPMBZ-ZDUSSCGKSA-N 0 3 376.425 0.798 20 0 GCADHN CN(CC(=O)N[C@H](CO)CN1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000808224497 641682811 /nfs/dbraw/zinc/68/28/11/641682811.db2.gz SKDDVQXYXRPSEV-AWEZNQCLSA-N 0 3 389.905 0.533 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(Br)n2)CC1=O ZINC000808269837 641683611 /nfs/dbraw/zinc/68/36/11/641683611.db2.gz ODEOLEFEUXDFQI-LBPRGKRZSA-N 0 3 399.289 0.753 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@H]2CSCCS2)CC1=O ZINC000808269010 641683644 /nfs/dbraw/zinc/68/36/44/641683644.db2.gz DHPCSLPYVVPWOP-KGLIPLIRSA-N 0 3 375.560 0.520 20 0 GCADHN CN(C)[S@](C)(=O)=NS(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000882063605 641688418 /nfs/dbraw/zinc/68/84/18/641688418.db2.gz MXDLJZKDQZLRTN-XMMPIXPASA-N 0 3 395.595 0.155 20 0 GCADHN CN(C)S(=O)(=O)CCS(=O)(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000882197060 641700952 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/nfs/dbraw/zinc/82/07/95/641820795.db2.gz NZTMDISHLXNMAN-AXFHLTTASA-N 0 3 386.392 0.895 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885869320 641821455 /nfs/dbraw/zinc/82/14/55/641821455.db2.gz QKUUDUISOASQPQ-HUUCEWRRSA-N 0 3 393.575 0.417 20 0 GCADHN COc1ccc(CNCCN2CCN(S(C)(=O)=O)CC2)c(F)c1OC ZINC000885968910 641822065 /nfs/dbraw/zinc/82/20/65/641822065.db2.gz DUTVNJRCEMOVQU-UHFFFAOYSA-N 0 3 375.466 0.510 20 0 GCADHN CCN(C(=O)[C@H](C)N[C@H](COC)[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000886904445 641850806 /nfs/dbraw/zinc/85/08/06/641850806.db2.gz ZXMXPJJHIOPBEN-XUWVNRHRSA-N 0 3 376.519 0.442 20 0 GCADHN O=C(N[C@@H]1Cc2cc(Br)cnc2NC1=O)[C@H]1CN2CCN1CCC2 ZINC000889812544 641879805 /nfs/dbraw/zinc/87/98/05/641879805.db2.gz ATSWKHURAPZLRF-CHWSQXEVSA-N 0 3 394.273 0.213 20 0 GCADHN CN(C)C[C@H]1NC(=O)N(CCNC(=O)c2cccc(Br)c2)C1=O ZINC000924570276 641906227 /nfs/dbraw/zinc/90/62/27/641906227.db2.gz ODDSKGIHZOCXLN-GFCCVEGCSA-N 0 3 383.246 0.661 20 0 GCADHN CSc1ccc(OC[C@@H](O)CNCCS(=O)(=O)N2CCOCC2)cc1 ZINC000818989823 641925760 /nfs/dbraw/zinc/92/57/60/641925760.db2.gz UVTUYFAUWCWNPH-AWEZNQCLSA-N 0 3 390.527 0.400 20 0 GCADHN CCNS(=O)(=O)CCNC[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819043708 641926509 /nfs/dbraw/zinc/92/65/09/641926509.db2.gz UORDUHOHBRHNEG-INIZCTEOSA-N 0 3 379.523 0.667 20 0 GCADHN O=C(NCC1(n2cc(Br)cn2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000927111731 641929373 /nfs/dbraw/zinc/92/93/73/641929373.db2.gz ILEIYIKBKCZKKA-QWHCGFSZSA-N 0 3 384.278 0.595 20 0 GCADHN CN(C)C[C@@H]1NC(=O)N(c2cc(Br)cc3c2NC(=O)CO3)C1=O ZINC000927266823 641931129 /nfs/dbraw/zinc/93/11/29/641931129.db2.gz UMSOVNKRQMNDEN-QMMMGPOBSA-N 0 3 383.202 0.766 20 0 GCADHN CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCC3(CC2)OCCO3)CCC1 ZINC000929270513 641957251 /nfs/dbraw/zinc/95/72/51/641957251.db2.gz SYIHTEDYWITGEK-CQSZACIVSA-N 0 3 376.519 0.827 20 0 GCADHN CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCC(OCCO)CC2)CCC1 ZINC000930100437 641969049 /nfs/dbraw/zinc/96/90/49/641969049.db2.gz 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ZINC000935819288 642042113 /nfs/dbraw/zinc/04/21/13/642042113.db2.gz RQZIJZZGCBCXBK-UHFFFAOYSA-N 0 3 385.306 0.904 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]1C[NH2+]CCCO1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000825189284 642047207 /nfs/dbraw/zinc/04/72/07/642047207.db2.gz ZPOUAKSHCQVWAX-RYUDHWBXSA-N 0 3 390.893 0.287 20 0 GCADHN NS(=O)(=O)c1ccc(Br)c(C(=O)NCCN2CCCC2)c1 ZINC000192908022 642057477 /nfs/dbraw/zinc/05/74/77/642057477.db2.gz DCDKAKBNATUOMB-UHFFFAOYSA-N 0 3 376.276 0.922 20 0 GCADHN COCCNCCNS(=O)(=O)c1cccc(I)c1 ZINC000193361640 642058463 /nfs/dbraw/zinc/05/84/63/642058463.db2.gz UYAUIJFMJOOMGO-UHFFFAOYSA-N 0 3 384.239 0.806 20 0 GCADHN CSCC[C@@H](N)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000827215530 642072039 /nfs/dbraw/zinc/07/20/39/642072039.db2.gz YRLKTUJMLVVNFH-CYBMUJFWSA-N 0 3 382.511 0.360 20 0 GCADHN Cc1nn(C)c(Br)c1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000801091557 642112524 /nfs/dbraw/zinc/11/25/24/642112524.db2.gz AQEFTOMPDMQQNU-UHFFFAOYSA-N 0 3 398.305 0.871 20 0 GCADHN CSCC[C@@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000829448191 642115042 /nfs/dbraw/zinc/11/50/42/642115042.db2.gz XQGFVXWRSYJKHA-SNVBAGLBSA-N 0 3 377.454 0.745 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccnn2CCN(C)C)s1 ZINC000901151141 642125427 /nfs/dbraw/zinc/12/54/27/642125427.db2.gz VMHGWZVMMRIGRD-UHFFFAOYSA-N 0 3 385.515 0.523 20 0 GCADHN CS[C@@H]1CN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)C[C@@H]1N(C)C ZINC000901228386 642129373 /nfs/dbraw/zinc/12/93/73/642129373.db2.gz GRGVDPYWHCWWFG-UONOGXRCSA-N 0 3 389.568 0.930 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@](F)(C(=O)OC)C1 ZINC000830763504 642145653 /nfs/dbraw/zinc/14/56/53/642145653.db2.gz GFMWMDJNTARFHL-GZMMTYOYSA-N 0 3 379.328 0.787 20 0 GCADHN CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867099360 642207225 /nfs/dbraw/zinc/20/72/25/642207225.db2.gz VLMYVCJKIFHICC-UHFFFAOYSA-N 0 3 383.312 0.819 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=S)NCCNS(C)(=O)=O)C1 ZINC000840808932 642286137 /nfs/dbraw/zinc/28/61/37/642286137.db2.gz HDYKITZOBIRJPS-HNNXBMFYSA-N 0 3 384.571 0.864 20 0 GCADHN O=C(c1c(F)cccc1Cl)N1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923604026 642290267 /nfs/dbraw/zinc/29/02/67/642290267.db2.gz BIVQTMQXBWHBDQ-UHFFFAOYSA-N 0 3 390.868 0.387 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000867264277 642304293 /nfs/dbraw/zinc/30/42/93/642304293.db2.gz GFOYBWRMHFPXEN-LSDHHAIUSA-N 0 3 377.507 0.638 20 0 GCADHN C[C@@H]1NCCN(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H]1C ZINC000841808932 642321808 /nfs/dbraw/zinc/32/18/08/642321808.db2.gz QLFOHKYRIHCBCV-QWRGUYRKSA-N 0 3 386.440 0.940 20 0 GCADHN CNC(=O)[C@@H](O)CNC[C@@H](O)COc1ccc(Cl)cc1Br ZINC000843112542 642364309 /nfs/dbraw/zinc/36/43/09/642364309.db2.gz ZHSVJQYQUSOTMT-KOLCDFICSA-N 0 3 381.654 0.539 20 0 GCADHN C[C@@H]([NH3+])[C@H]1CN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CCO1 ZINC000843357626 642368261 /nfs/dbraw/zinc/36/82/61/642368261.db2.gz SWCZVORQDUEQFH-IJLUTSLNSA-N 0 3 390.893 0.367 20 0 GCADHN COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)c1F ZINC000844227077 642398662 /nfs/dbraw/zinc/39/86/62/642398662.db2.gz TYOXFIKFMAYOGM-UHFFFAOYSA-N 0 3 377.413 0.325 20 0 GCADHN C[C@H](N[C@@H](CO)CCF)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000846210325 642477031 /nfs/dbraw/zinc/47/70/31/642477031.db2.gz YFKJJCMPYPWAHI-WCQYABFASA-N 0 3 382.479 0.783 20 0 GCADHN CON(C)CCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850480094 642681167 /nfs/dbraw/zinc/68/11/67/642681167.db2.gz JZYTUFKTMWQFKI-LBPRGKRZSA-N 0 3 379.504 0.556 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H](O)c2ccccc2Br)n1 ZINC000851679116 642731464 /nfs/dbraw/zinc/73/14/64/642731464.db2.gz VEELFRBFEZCUIW-LBPRGKRZSA-N 0 3 396.245 0.936 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCn3ncc(Br)c3C2)n1 ZINC000851678708 642731798 /nfs/dbraw/zinc/73/17/98/642731798.db2.gz HOVNZVOBWAYPHC-UHFFFAOYSA-N 0 3 382.222 0.325 20 0 GCADHN O=C(Cc1noc(-c2cc3c(s2)CCNC3)n1)N1CCS(=O)(=O)CC1 ZINC000854153220 642816300 /nfs/dbraw/zinc/81/63/00/642816300.db2.gz HLEJUXYAESDEPE-UHFFFAOYSA-N 0 3 382.467 0.243 20 0 GCADHN C[C@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)N1[C@H](C)CC[C@@H]1C ZINC000854832032 642852409 /nfs/dbraw/zinc/85/24/09/642852409.db2.gz KEFXUTLZEQDBTM-HZSPNIEDSA-N 0 3 394.563 0.364 20 0 GCADHN O=C([C@H]1CN2CCN1CCC2)N1CC(O)(c2cccc(Br)c2)C1 ZINC000857418115 642940783 /nfs/dbraw/zinc/94/07/83/642940783.db2.gz AJVPIGDNRYBJMK-OAHLLOKOSA-N 0 3 380.286 0.869 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)n1 ZINC000662947066 1192165422 /nfs/dbraw/zinc/16/54/22/1192165422.db2.gz IJXDWAGHUFABTN-UHFFFAOYSA-N 0 3 399.860 0.279 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000661715510 1192166225 /nfs/dbraw/zinc/16/62/25/1192166225.db2.gz ZJTDGFDJLMQHPZ-UHFFFAOYSA-N 0 3 396.557 0.553 20 0 GCADHN CN(CCN1C(=O)CCC1=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001027499138 1192168418 /nfs/dbraw/zinc/16/84/18/1192168418.db2.gz XCQOJRBBNVEZLL-TVRAHDOYSA-N 0 3 375.469 0.482 20 0 GCADHN C[C@H](CCO)N(C)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000652261005 1192174367 /nfs/dbraw/zinc/17/43/67/1192174367.db2.gz XMFCLJLOZHZTPK-CQSZACIVSA-N 0 3 390.484 0.552 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000278848268 1192176262 /nfs/dbraw/zinc/17/62/62/1192176262.db2.gz DAULVRXZLNCBGO-UHFFFAOYSA-N 0 3 399.499 0.963 20 0 GCADHN Cc1nc(Cn2nnc(NC(=O)C(=O)N(C)CCN3CCCCC3)c2C)no1 ZINC000652289982 1192178690 /nfs/dbraw/zinc/17/86/90/1192178690.db2.gz MPWRYUAABPKZAP-UHFFFAOYSA-N 0 3 390.448 0.209 20 0 GCADHN C[C@@H](O)[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000661769027 1192180226 /nfs/dbraw/zinc/18/02/26/1192180226.db2.gz BNANZLSZAKLHJE-NVXWUHKLSA-N 0 3 381.498 0.365 20 0 GCADHN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000652326954 1192190212 /nfs/dbraw/zinc/19/02/12/1192190212.db2.gz QAMZLIYHCZSUPP-GDBMZVCRSA-N 0 3 385.472 0.860 20 0 GCADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1c1ccccc1 ZINC001211676965 1192203426 /nfs/dbraw/zinc/20/34/26/1192203426.db2.gz XGDJXEUAHILPJS-ZJPYXAASSA-N 0 3 381.480 0.854 20 0 GCADHN NS(=O)(=O)c1cccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000661973401 1192208369 /nfs/dbraw/zinc/20/83/69/1192208369.db2.gz AFYYJUJFDCEKFQ-HNNXBMFYSA-N 0 3 382.486 0.387 20 0 GCADHN COc1ccc(CNC(=O)CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000661976290 1192209406 /nfs/dbraw/zinc/20/94/06/1192209406.db2.gz RLMAKMFWVYYFRB-QGZVFWFLSA-N 0 3 390.484 0.864 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000661975524 1192209418 /nfs/dbraw/zinc/20/94/18/1192209418.db2.gz NPIXVDQPRUPFRI-KRWDZBQOSA-N 0 3 390.484 0.978 20 0 GCADHN O=C(CN1CC[C@@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCCC1 ZINC001481441618 1192210456 /nfs/dbraw/zinc/21/04/56/1192210456.db2.gz JSIGQTZCZDFNAW-VUHPKUFZSA-N 0 3 379.501 0.489 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCN(c2ncc(F)cn2)CC1 ZINC000661980662 1192210671 /nfs/dbraw/zinc/21/06/71/1192210671.db2.gz CWAIJJSPAFYHEM-MRXNPFEDSA-N 0 3 378.452 0.701 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000661980498 1192211015 /nfs/dbraw/zinc/21/10/15/1192211015.db2.gz IFPZIZCBDGYEMZ-KMFMINBZSA-N 0 3 390.488 0.466 20 0 GCADHN O=C(NCCN1C[C@H]2CCCCN2C1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661983627 1192211152 /nfs/dbraw/zinc/21/11/52/1192211152.db2.gz JSMKEXIJRYSACC-SJORKVTESA-N 0 3 379.505 0.829 20 0 GCADHN O=C(NCc1cccc(N2CCOCC2)n1)NC1CCN([C@H]2CCOC2)CC1 ZINC000661985942 1192212101 /nfs/dbraw/zinc/21/21/01/1192212101.db2.gz YTEKGLFLIRGHDQ-SFHVURJKSA-N 0 3 389.500 0.971 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000661986439 1192212112 /nfs/dbraw/zinc/21/21/12/1192212112.db2.gz HELOOYPAMZKUON-MJGOQNOKSA-N 0 3 380.533 0.994 20 0 GCADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)[C@H]3CCS(=O)(=O)N3)CC2)cc1 ZINC000652400397 1192214415 /nfs/dbraw/zinc/21/44/15/1192214415.db2.gz SVGLOQORAGCGES-QGZVFWFLSA-N 0 3 394.497 0.417 20 0 GCADHN CC(C)N(Cc1ccccc1F)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652404446 1192214840 /nfs/dbraw/zinc/21/48/40/1192214840.db2.gz USDISJVVJZMORW-UHFFFAOYSA-N 0 3 392.475 0.795 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000662004888 1192215406 /nfs/dbraw/zinc/21/54/06/1192215406.db2.gz MMWIKQDYWKUTRZ-GJZGRUSLSA-N 0 3 380.493 0.038 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N(CC2CCCCC2)C2CC2)CC1=O ZINC000652412664 1192219484 /nfs/dbraw/zinc/21/94/84/1192219484.db2.gz NFIZKOZNJCYFMB-UHFFFAOYSA-N 0 3 378.517 0.790 20 0 GCADHN COCCOCCN1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000652423787 1192220405 /nfs/dbraw/zinc/22/04/05/1192220405.db2.gz WVYLIZNBCPPGQU-UHFFFAOYSA-N 0 3 398.548 0.126 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](OC(C)C)C2)CC1 ZINC000652431499 1192221368 /nfs/dbraw/zinc/22/13/68/1192221368.db2.gz UOALYOQOLCRVSX-KRWDZBQOSA-N 0 3 396.532 0.415 20 0 GCADHN CCNC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCCC1 ZINC001268038179 1192222257 /nfs/dbraw/zinc/22/22/57/1192222257.db2.gz KDYYTMKOIQMMKP-OFQRWUPVSA-N 0 3 380.489 0.666 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000473163090 1192226491 /nfs/dbraw/zinc/22/64/91/1192226491.db2.gz QGHIQMSPHZDASW-UHFFFAOYSA-N 0 3 376.457 0.290 20 0 GCADHN Cc1cccc([C@H]2CCN(C(=O)C(=O)N3CCN(CCN(C)C)C(=O)C3)C2)c1 ZINC000652473218 1192230359 /nfs/dbraw/zinc/23/03/59/1192230359.db2.gz VNEHQBGJYFALGQ-SFHVURJKSA-N 0 3 386.496 0.543 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(CC(=O)NC(C)(C)CN2CCN(CC)CC2)C1 ZINC000909397662 1192227169 /nfs/dbraw/zinc/22/71/69/1192227169.db2.gz ZMFMINPXTOHUGS-QGZVFWFLSA-N 0 3 382.549 0.794 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652461345 1192228338 /nfs/dbraw/zinc/22/83/38/1192228338.db2.gz XZQIRBPSCOCUNI-KRWDZBQOSA-N 0 3 380.533 0.642 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000652468818 1192229272 /nfs/dbraw/zinc/22/92/72/1192229272.db2.gz SUHRHLFJKYHLRJ-UHFFFAOYSA-N 0 3 382.549 0.748 20 0 GCADHN CC(C)O[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000652471783 1192229887 /nfs/dbraw/zinc/22/98/87/1192229887.db2.gz GWEUWDNRELMIAA-IAGOWNOFSA-N 0 3 394.516 0.167 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCC[C@H](c3ccccc3)C2)CC1=O ZINC000652505457 1192233592 /nfs/dbraw/zinc/23/35/92/1192233592.db2.gz VBIMBNCEVQINJN-SFHVURJKSA-N 0 3 386.496 0.625 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CCc2ccccc21 ZINC000652531577 1192236608 /nfs/dbraw/zinc/23/66/08/1192236608.db2.gz RGNDTMCPNRFEHW-MRXNPFEDSA-N 0 3 386.496 0.407 20 0 GCADHN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000153117644 1192252968 /nfs/dbraw/zinc/25/29/68/1192252968.db2.gz SRANJYQRGNJMSC-SJORKVTESA-N 0 3 378.517 0.933 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)[C@@H]2C1 ZINC000644825842 1192256165 /nfs/dbraw/zinc/25/61/65/1192256165.db2.gz PZGHQTGYBVLYLN-UONOGXRCSA-N 0 3 383.470 0.467 20 0 GCADHN CN1C(=O)COc2cc(NC(=O)C(=O)NC[C@@H]3NCCc4ccccc43)ccc21 ZINC000521408134 1192275047 /nfs/dbraw/zinc/27/50/47/1192275047.db2.gz PFFXLUCGMQGFCW-INIZCTEOSA-N 0 3 394.431 0.984 20 0 GCADHN CC(=O)NC[C@H]1CCCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000636700004 1192269859 /nfs/dbraw/zinc/26/98/59/1192269859.db2.gz JADZVNKQYDQOKA-SJORKVTESA-N 0 3 381.521 0.629 20 0 GCADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)N1CCOCC1 ZINC001719828352 1192285998 /nfs/dbraw/zinc/28/59/98/1192285998.db2.gz QWYAAUQXBLNPML-IKGGRYGDSA-N 0 3 380.533 0.687 20 0 GCADHN O=C(CN1CCOCC1)N1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662365915 1192286357 /nfs/dbraw/zinc/28/63/57/1192286357.db2.gz XZBYPWJXSAAMOA-UHFFFAOYSA-N 0 3 378.498 0.010 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662446233 1192297152 /nfs/dbraw/zinc/29/71/52/1192297152.db2.gz VAIUKCDQDKSRSG-AWEZNQCLSA-N 0 3 394.541 0.693 20 0 GCADHN O=C(c1cccc2c1CNC2)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000662480899 1192303380 /nfs/dbraw/zinc/30/33/80/1192303380.db2.gz YUCJKXOBGZTGGT-UHFFFAOYSA-N 0 3 376.438 0.566 20 0 GCADHN COCCn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN(C)C(C)C)C3)nn1 ZINC001719834112 1192304101 /nfs/dbraw/zinc/30/41/01/1192304101.db2.gz CUKSTIVQNMHWSL-YCPHGPKFSA-N 0 3 378.477 0.126 20 0 GCADHN CCCC[C@@H](NC(N)=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(C)C)C2 ZINC001719835017 1192308106 /nfs/dbraw/zinc/30/81/06/1192308106.db2.gz UWDWCTCQTSRGSA-WCVJEAGWSA-N 0 3 381.521 0.802 20 0 GCADHN O=C(c1cnnn1C1CC[NH2+]CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000662499482 1192308266 /nfs/dbraw/zinc/30/82/66/1192308266.db2.gz DDJYBXIJYHOWPF-UHFFFAOYSA-N 0 3 384.440 0.506 20 0 GCADHN O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000662502979 1192308655 /nfs/dbraw/zinc/30/86/55/1192308655.db2.gz CREUDZKFBAYQNL-OAHLLOKOSA-N 0 3 398.467 0.897 20 0 GCADHN CC(C)[C@H](CNc1nc2cc(S(N)(=O)=O)ccc2[nH]1)N1CCN(C)CC1 ZINC000663376885 1192309318 /nfs/dbraw/zinc/30/93/18/1192309318.db2.gz OBMGLGMZKQTCLV-INIZCTEOSA-N 0 3 380.518 0.894 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000605985793 1192309360 /nfs/dbraw/zinc/30/93/60/1192309360.db2.gz KKEZTMPIJKMJPF-ZWKOTPCHSA-N 0 3 397.564 0.587 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000041720481 1192319316 /nfs/dbraw/zinc/31/93/16/1192319316.db2.gz LVZXTUAKJRXFNK-UHFFFAOYSA-N 0 3 376.457 0.556 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000165465682 1192326026 /nfs/dbraw/zinc/32/60/26/1192326026.db2.gz FKQILONNPINQMV-WMLDXEAASA-N 0 3 378.448 0.675 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000663400329 1192322627 /nfs/dbraw/zinc/32/26/27/1192322627.db2.gz ORBZQVLENKMSBT-KRWDZBQOSA-N 0 3 395.529 0.615 20 0 GCADHN CN(Cc1ncc[nH]1)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000636845550 1192327825 /nfs/dbraw/zinc/32/78/25/1192327825.db2.gz GDCAPGRIFSWDKU-QGZVFWFLSA-N 0 3 385.468 0.775 20 0 GCADHN Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000330291708 1192329439 /nfs/dbraw/zinc/32/94/39/1192329439.db2.gz CWHCKSQQZMELMB-HOCLYGCPSA-N 0 3 376.486 0.982 20 0 GCADHN Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000330291706 1192329764 /nfs/dbraw/zinc/32/97/64/1192329764.db2.gz CWHCKSQQZMELMB-GOEBONIOSA-N 0 3 376.486 0.982 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000663451347 1192342456 /nfs/dbraw/zinc/34/24/56/1192342456.db2.gz ISSYITDIYCXXPL-MRXNPFEDSA-N 0 3 381.502 0.052 20 0 GCADHN CN(CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(C)(C)C ZINC001058850228 1192359996 /nfs/dbraw/zinc/35/99/96/1192359996.db2.gz HVTAAMUFBKLRRL-OCABDXPQSA-N 0 3 381.517 0.325 20 0 GCADHN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000893620751 1192360073 /nfs/dbraw/zinc/36/00/73/1192360073.db2.gz LUGRKPYQXHSVHZ-SZMVWBNQSA-N 0 3 380.510 0.869 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000604873841 1192387825 /nfs/dbraw/zinc/38/78/25/1192387825.db2.gz QMVZPLFNGNWUEA-AEFFLSMTSA-N 0 3 395.525 0.937 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)N2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000663558328 1192388155 /nfs/dbraw/zinc/38/81/55/1192388155.db2.gz OYRWOBHIQCBUKS-SFHVURJKSA-N 0 3 381.565 0.909 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCN1C(=O)CNC1=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001028037524 1192390332 /nfs/dbraw/zinc/39/03/32/1192390332.db2.gz ZSERPEBQIIPMFO-QSJFSLAZSA-N 0 3 378.473 0.324 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000585722978 1192398584 /nfs/dbraw/zinc/39/85/84/1192398584.db2.gz BYNVHRDOCOUZKU-WTNGLUPJSA-N 0 3 385.530 0.778 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CCC[C@@H](C(C)(C)C(=O)OC)C2)CC1 ZINC000585775181 1192410315 /nfs/dbraw/zinc/41/03/15/1192410315.db2.gz PLOCVHQVTXWZGD-OAHLLOKOSA-N 0 3 397.516 0.651 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1CCCC1=O)N(C)C ZINC001719850731 1192420145 /nfs/dbraw/zinc/42/01/45/1192420145.db2.gz RHUSTOFPBNUGEC-PASDCYSWSA-N 0 3 378.517 0.833 20 0 GCADHN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)n2)c1 ZINC000278989523 1192430158 /nfs/dbraw/zinc/43/01/58/1192430158.db2.gz QDKVPVAKJPIWLZ-KBPBESRZSA-N 0 3 385.472 0.762 20 0 GCADHN CC(C)c1nnc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)s1 ZINC000512085703 1192432307 /nfs/dbraw/zinc/43/23/07/1192432307.db2.gz YJPGOLDNFQPLTP-ZDUSSCGKSA-N 0 3 383.518 0.847 20 0 GCADHN N[C@H](Cc1ccccc1)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000167071653 1192432997 /nfs/dbraw/zinc/43/29/97/1192432997.db2.gz ZMOUHBOJBQQQPE-QGZVFWFLSA-N 0 3 382.468 0.202 20 0 GCADHN Cc1nc(Cn2cc(C(=O)NCCCCN3C[C@@H](C)O[C@H](C)C3)nn2)no1 ZINC000279007073 1192434078 /nfs/dbraw/zinc/43/40/78/1192434078.db2.gz HFPUVENZLAPCJD-CHWSQXEVSA-N 0 3 377.449 0.637 20 0 GCADHN Cc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(=O)n1C ZINC000279019498 1192440320 /nfs/dbraw/zinc/44/03/20/1192440320.db2.gz MNXKORNYVNCROF-INIZCTEOSA-N 0 3 375.473 0.142 20 0 GCADHN Cc1ncc([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000637224492 1192452478 /nfs/dbraw/zinc/45/24/78/1192452478.db2.gz FXUFMZVRPZCQQS-GXTWGEPZSA-N 0 3 393.513 0.394 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2cnc(C)s2)CC1 ZINC000637228146 1192460909 /nfs/dbraw/zinc/46/09/09/1192460909.db2.gz JVUPKUDFGZIJAS-ZDUSSCGKSA-N 0 3 395.529 0.641 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000050175532 1192461833 /nfs/dbraw/zinc/46/18/33/1192461833.db2.gz FYLIZZXWBSJUJC-UHFFFAOYSA-N 0 3 389.456 0.043 20 0 GCADHN COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)cc1 ZINC000168552109 1192483786 /nfs/dbraw/zinc/48/37/86/1192483786.db2.gz DGDAPPPPOSSALC-QGZVFWFLSA-N 0 3 376.501 0.943 20 0 GCADHN Cc1nc2c(cnn2C)c(N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)n1 ZINC000168798255 1192487637 /nfs/dbraw/zinc/48/76/37/1192487637.db2.gz BQVIRICQXVSKLE-KRWDZBQOSA-N 0 3 379.468 0.890 20 0 GCADHN O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C12CCCN1CCC2 ZINC000279246974 1192494065 /nfs/dbraw/zinc/49/40/65/1192494065.db2.gz RESGIOFPVHBHED-UHFFFAOYSA-N 0 3 392.481 0.374 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000279259613 1192495893 /nfs/dbraw/zinc/49/58/93/1192495893.db2.gz JDGDYAUFERJNPT-YLJYHZDGSA-N 0 3 378.517 0.298 20 0 GCADHN COc1c(F)cc(F)cc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000473218913 1192497200 /nfs/dbraw/zinc/49/72/00/1192497200.db2.gz ZHXCAELMNNXNRW-GFCCVEGCSA-N 0 3 384.427 0.912 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000432522095 1192508170 /nfs/dbraw/zinc/50/81/70/1192508170.db2.gz BWWFUKONZQTRBL-UHFFFAOYSA-N 0 3 399.495 0.352 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)c3nncn3C)c2)CC1 ZINC000473234464 1192514880 /nfs/dbraw/zinc/51/48/80/1192514880.db2.gz DWOHOEBFOAEWDK-CQSZACIVSA-N 0 3 385.472 0.773 20 0 GCADHN COc1ccc(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)c(OC)c1OC ZINC000663738419 1192517908 /nfs/dbraw/zinc/51/79/08/1192517908.db2.gz HJVSXHJEHDUCII-UHFFFAOYSA-N 0 3 396.488 0.874 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000981977594 1192520542 /nfs/dbraw/zinc/52/05/42/1192520542.db2.gz GTQSSVSYEPYCCJ-LXTVHRRPSA-N 0 3 375.473 0.846 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000981977594 1192520547 /nfs/dbraw/zinc/52/05/47/1192520547.db2.gz GTQSSVSYEPYCCJ-LXTVHRRPSA-N 0 3 375.473 0.846 20 0 GCADHN C[C@@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C2CC2)O1 ZINC000279391122 1192535388 /nfs/dbraw/zinc/53/53/88/1192535388.db2.gz UHFPWEJCSRVXED-KDOFPFPSSA-N 0 3 395.525 0.882 20 0 GCADHN COC(=O)CN(CCc1ccccc1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000512209305 1192549227 /nfs/dbraw/zinc/54/92/27/1192549227.db2.gz PSSNAFXFOBYBJB-KRWDZBQOSA-N 0 3 375.469 0.641 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 ZINC000728906124 1192553591 /nfs/dbraw/zinc/55/35/91/1192553591.db2.gz QMAFJUREZINVBO-GOSISDBHSA-N 0 3 382.530 0.312 20 0 GCADHN COc1cc(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc(OC)c1O ZINC000279557556 1192556806 /nfs/dbraw/zinc/55/68/06/1192556806.db2.gz UWZFOBFZWCIBHJ-OAHLLOKOSA-N 0 3 391.468 0.717 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCc3ccccc3C2=O)CC1 ZINC000279571647 1192558046 /nfs/dbraw/zinc/55/80/46/1192558046.db2.gz VYVSFPWMURIJMT-GOSISDBHSA-N 0 3 384.480 0.450 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)CC2)c1 ZINC000279634467 1192567131 /nfs/dbraw/zinc/56/71/31/1192567131.db2.gz YICAPXOLZTXOAC-NRFANRHFSA-N 0 3 399.495 0.708 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)C(C)(C)C3)cc2)CC1 ZINC000279684477 1192577563 /nfs/dbraw/zinc/57/75/63/1192577563.db2.gz LCHLYERGTLPAOR-GOSISDBHSA-N 0 3 388.512 0.992 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C ZINC000279756176 1192598095 /nfs/dbraw/zinc/59/80/95/1192598095.db2.gz DBSMZRDWXKVTIC-AWEZNQCLSA-N 0 3 381.477 0.289 20 0 GCADHN C[C@@H](O)C[C@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000279759712 1192598594 /nfs/dbraw/zinc/59/85/94/1192598594.db2.gz MDLPJWVNXZRYJA-GDBMZVCRSA-N 0 3 383.514 0.618 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000418636960 1192622001 /nfs/dbraw/zinc/62/20/01/1192622001.db2.gz MUHVVCLTQFQAJW-SFHVURJKSA-N 0 3 399.495 0.350 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418627641 1192622327 /nfs/dbraw/zinc/62/23/27/1192622327.db2.gz BBMMYCQPSSSYMN-INIZCTEOSA-N 0 3 381.502 0.101 20 0 GCADHN NS(=O)(=O)CCCCS(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC001211716314 1192635190 /nfs/dbraw/zinc/63/51/90/1192635190.db2.gz LTFWDESHVPTOLW-INIZCTEOSA-N 0 3 389.543 0.497 20 0 GCADHN COc1cccc(OCCN2CCN(C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000418755505 1192639810 /nfs/dbraw/zinc/63/98/10/1192639810.db2.gz BVRLFNKZHYVWGR-SFHVURJKSA-N 0 3 378.473 0.390 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](CO)CN2CCCCC2)c1 ZINC000512389674 1192642889 /nfs/dbraw/zinc/64/28/89/1192642889.db2.gz PZJUZPZPBLUQTJ-QGZVFWFLSA-N 0 3 397.541 0.935 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C[C@@H]1O ZINC000663820100 1192645315 /nfs/dbraw/zinc/64/53/15/1192645315.db2.gz RQWMGPBMIXAWDC-BZSNNMDCSA-N 0 3 390.484 0.412 20 0 GCADHN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)C(=O)N1CCCNCC1 ZINC000418792460 1192645627 /nfs/dbraw/zinc/64/56/27/1192645627.db2.gz NALLGBUETUAUCZ-CYBMUJFWSA-N 0 3 382.411 0.805 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000509741481 1192646461 /nfs/dbraw/zinc/64/64/61/1192646461.db2.gz DSOBOAWHPSRAIT-JTQLQIEISA-N 0 3 375.408 0.684 20 0 GCADHN CCC[C@H]1CNCCN1C(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000418798096 1192647586 /nfs/dbraw/zinc/64/75/86/1192647586.db2.gz GVENUDMITSDQAF-SFHVURJKSA-N 0 3 394.560 0.986 20 0 GCADHN NCC(F)(F)CNC(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000418802373 1192648801 /nfs/dbraw/zinc/64/88/01/1192648801.db2.gz KERRZAVRTKEVMP-UHFFFAOYSA-N 0 3 376.448 0.096 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000418802886 1192648918 /nfs/dbraw/zinc/64/89/18/1192648918.db2.gz KQSAOANAQKNHFW-DLBZAZTESA-N 0 3 380.533 0.594 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827843 1192657412 /nfs/dbraw/zinc/65/74/12/1192657412.db2.gz HIMPOOJYKUDHNQ-PMACEKPBSA-N 0 3 396.491 0.820 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)N[C@@H](C)C2)N(C)C)cc1OC ZINC000418841986 1192663185 /nfs/dbraw/zinc/66/31/85/1192663185.db2.gz ZKQVKTKVDOSVQB-LZWOXQAQSA-N 0 3 392.500 0.632 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc2c1OCCCO2 ZINC000418845241 1192664530 /nfs/dbraw/zinc/66/45/30/1192664530.db2.gz NXWARZHFWSWYOA-TZMCWYRMSA-N 0 3 377.441 0.693 20 0 GCADHN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)C(=O)NC[C@H]1CNCCO1 ZINC000418852898 1192666265 /nfs/dbraw/zinc/66/62/65/1192666265.db2.gz WAAZLHFXKAMRLG-QGZVFWFLSA-N 0 3 388.468 0.536 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN(C(=O)C1CCC1)C1CC1 ZINC000418855873 1192668127 /nfs/dbraw/zinc/66/81/27/1192668127.db2.gz NKVKZSZRZBJZOS-CJNGLKHVSA-N 0 3 394.516 0.513 20 0 GCADHN COc1cc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc(S(C)(=O)=O)c1 ZINC000500629294 1192676075 /nfs/dbraw/zinc/67/60/75/1192676075.db2.gz DSINDBUBIWYOLK-GFCCVEGCSA-N 0 3 395.481 0.804 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000418904328 1192684425 /nfs/dbraw/zinc/68/44/25/1192684425.db2.gz OMAZURCVGXRSFS-CJNGLKHVSA-N 0 3 386.456 0.172 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000418904330 1192684766 /nfs/dbraw/zinc/68/47/66/1192684766.db2.gz OMAZURCVGXRSFS-XJKSGUPXSA-N 0 3 386.456 0.172 20 0 GCADHN COc1cc(OC)c(OC)cc1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000418920550 1192691618 /nfs/dbraw/zinc/69/16/18/1192691618.db2.gz LEDVDIFGNRNONG-DGCLKSJQSA-N 0 3 395.456 0.558 20 0 GCADHN COc1cc(OC)c(OC)cc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000418920943 1192691965 /nfs/dbraw/zinc/69/19/65/1192691965.db2.gz LEDVDIFGNRNONG-YPMHNXCESA-N 0 3 395.456 0.558 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000418946153 1192698778 /nfs/dbraw/zinc/69/87/78/1192698778.db2.gz MLFGUQYEGCZBJJ-QGZVFWFLSA-N 0 3 386.427 0.878 20 0 GCADHN COc1cc(CN2CC[C@@H](NC(=O)C(=O)N3CCCNCC3)C2)cc(OC)c1 ZINC000418957956 1192701857 /nfs/dbraw/zinc/70/18/57/1192701857.db2.gz FKTGIXBUMRTFCN-MRXNPFEDSA-N 0 3 390.484 0.216 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc(F)ccc4F)CC3)C[C@@H]21 ZINC000410572082 1192719835 /nfs/dbraw/zinc/71/98/35/1192719835.db2.gz DUWJSFHCERQNRQ-DYVFJYSZSA-N 0 3 378.423 0.776 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c(OC)c1 ZINC000419016941 1192723199 /nfs/dbraw/zinc/72/31/99/1192723199.db2.gz GFPWBUORJYJCCV-DOMZBBRYSA-N 0 3 379.457 0.592 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCC(N3CCNC3=O)CC2)cc1 ZINC000051450026 1192723832 /nfs/dbraw/zinc/72/38/32/1192723832.db2.gz GYANNINISOSCAZ-MRXNPFEDSA-N 0 3 377.441 0.703 20 0 GCADHN N[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 ZINC000419025919 1192727729 /nfs/dbraw/zinc/72/77/29/1192727729.db2.gz AXLUKDBIBLZBAY-HZPDHXFCSA-N 0 3 384.411 0.863 20 0 GCADHN N[C@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)c1ccccc1 ZINC000419029120 1192729888 /nfs/dbraw/zinc/72/98/88/1192729888.db2.gz YBZHVTFQSXWXIP-APWZRJJASA-N 0 3 392.525 0.127 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000419030763 1192732404 /nfs/dbraw/zinc/73/24/04/1192732404.db2.gz HYBCBIQGQPMAAH-DLBZAZTESA-N 0 3 389.477 0.649 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N[C@@H]3CSc4ccccc43)C2)nn1 ZINC000419038133 1192736065 /nfs/dbraw/zinc/73/60/65/1192736065.db2.gz SWXXTVRTQXONTI-DZGCQCFKSA-N 0 3 386.481 0.864 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)nc(C)n1 ZINC000419045563 1192742302 /nfs/dbraw/zinc/74/23/02/1192742302.db2.gz WNLVQYDJHHVSBK-GOSISDBHSA-N 0 3 396.495 0.995 20 0 GCADHN C[C@@H](N)C(=O)N1CCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)CC1 ZINC000237456275 1192744469 /nfs/dbraw/zinc/74/44/69/1192744469.db2.gz LDWQBJYKQQJEBM-LLVKDONJSA-N 0 3 375.498 0.855 20 0 GCADHN C[C@]12CN(CCN3CCNC3=O)C[C@@]1(C)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC000982390814 1192745372 /nfs/dbraw/zinc/74/53/72/1192745372.db2.gz SOBRREFMDORCEJ-PXOCHBBISA-N 0 3 388.512 0.605 20 0 GCADHN COc1ccc(C2(CNC(=O)C(=O)N3CCCNCC3)CCOCC2)cc1 ZINC000419059755 1192756129 /nfs/dbraw/zinc/75/61/29/1192756129.db2.gz DISGYKPAFSMSQW-UHFFFAOYSA-N 0 3 375.469 0.682 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cccn1 ZINC000419068879 1192765631 /nfs/dbraw/zinc/76/56/31/1192765631.db2.gz MGFSJRNDKQCIGB-PBHICJAKSA-N 0 3 385.468 0.777 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCCN1C(=O)CCC1=O)c1ccc2ccccc2c1 ZINC000419072244 1192769081 /nfs/dbraw/zinc/76/90/81/1192769081.db2.gz BDNQLEAYXOXJST-INIZCTEOSA-N 0 3 382.420 0.221 20 0 GCADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@H](N)c2ccccc2)C1=O ZINC000419073422 1192769709 /nfs/dbraw/zinc/76/97/09/1192769709.db2.gz YGCAQVUACDGCOW-JKSUJKDBSA-N 0 3 396.447 0.733 20 0 GCADHN CCC[C@H]1CN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CCN1CCOC ZINC000500772220 1192775537 /nfs/dbraw/zinc/77/55/37/1192775537.db2.gz PMYZWOFHNHFOKL-SFHVURJKSA-N 0 3 397.564 0.681 20 0 GCADHN O=C(NCCCN1CCN(c2ncccn2)CC1)[C@@H]1Cc2ccccc2CN1 ZINC000238041537 1192778111 /nfs/dbraw/zinc/77/81/11/1192778111.db2.gz BPHNGRWTAKRIGC-IBGZPJMESA-N 0 3 380.496 0.819 20 0 GCADHN CCN(CC)[C@H](CNC(=O)N1CCO[C@H](C(N)=O)C1)c1cccc(OC)c1 ZINC000051680669 1192781065 /nfs/dbraw/zinc/78/10/65/1192781065.db2.gz NLFSUDHRRBVERX-SJORKVTESA-N 0 3 378.473 0.974 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419089134 1192781568 /nfs/dbraw/zinc/78/15/68/1192781568.db2.gz NPGLHGICIHVOLC-DYVFJYSZSA-N 0 3 391.493 0.895 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000419085138 1192782335 /nfs/dbraw/zinc/78/23/35/1192782335.db2.gz MBRFJLUKFDBGCL-INIZCTEOSA-N 0 3 395.887 0.609 20 0 GCADHN COc1ccc(C)cc1C1(CNC(=O)C(=O)N2CCCNCC2)CCOCC1 ZINC000419084714 1192783174 /nfs/dbraw/zinc/78/31/74/1192783174.db2.gz LRHYOSIKPZOQGT-UHFFFAOYSA-N 0 3 389.496 0.990 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000051684358 1192784317 /nfs/dbraw/zinc/78/43/17/1192784317.db2.gz ARSYEHIPIBKBKB-GOSISDBHSA-N 0 3 389.500 0.220 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000419102343 1192786176 /nfs/dbraw/zinc/78/61/76/1192786176.db2.gz FBFUBGSOTUHEIW-WBMJQRKESA-N 0 3 380.464 0.733 20 0 GCADHN CC(C)n1cc2c(n1)C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000419094880 1192788043 /nfs/dbraw/zinc/78/80/43/1192788043.db2.gz JZPHOVOPTHHLBE-BJJXKVORSA-N 0 3 377.489 0.667 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCSCC[C@H]2C)CC1 ZINC000410652165 1192791780 /nfs/dbraw/zinc/79/17/80/1192791780.db2.gz APRNXBBUHUHIEW-OAHLLOKOSA-N 0 3 384.546 0.353 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1ccc(F)c(F)c1 ZINC000419108645 1192790340 /nfs/dbraw/zinc/79/03/40/1192790340.db2.gz LYJFBGRNFYQFQJ-KMUNFCNLSA-N 0 3 385.411 0.998 20 0 GCADHN Cc1c(N2CCN(c3ncc[nH]3)CC2)ncnc1N1CCN(c2ncc[nH]2)CC1 ZINC000663844336 1192791937 /nfs/dbraw/zinc/79/19/37/1192791937.db2.gz JXHDOPCBHFZWIU-UHFFFAOYSA-N 0 3 394.487 0.884 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000419118766 1192792952 /nfs/dbraw/zinc/79/29/52/1192792952.db2.gz RLYPZFDPFAWADB-WMLDXEAASA-N 0 3 385.468 0.760 20 0 GCADHN C[C@@H]1CCC[C@H](C)N(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000410662712 1192795107 /nfs/dbraw/zinc/79/51/07/1192795107.db2.gz CZXPCYFQBBDZJG-SJORKVTESA-N 0 3 378.517 0.790 20 0 GCADHN CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419121857 1192795133 /nfs/dbraw/zinc/79/51/33/1192795133.db2.gz DYECIOKDNGDDPC-GDBMZVCRSA-N 0 3 390.484 0.381 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1=O ZINC000500804294 1192795621 /nfs/dbraw/zinc/79/56/21/1192795621.db2.gz JBOLGRSNIXYYCT-SJORKVTESA-N 0 3 390.484 0.623 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)N1CCOCC1 ZINC000419124494 1192795924 /nfs/dbraw/zinc/79/59/24/1192795924.db2.gz XKAVLUKVFVLDQG-MSOLQXFVSA-N 0 3 376.501 0.666 20 0 GCADHN CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419127542 1192797422 /nfs/dbraw/zinc/79/74/22/1192797422.db2.gz RAYLWSDXQCTDSY-GOSISDBHSA-N 0 3 382.464 0.968 20 0 GCADHN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000419118260 1192801737 /nfs/dbraw/zinc/80/17/37/1192801737.db2.gz QYCYDDKEBCHVRA-LSDHHAIUSA-N 0 3 383.514 0.845 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCCNCC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000419151945 1192811308 /nfs/dbraw/zinc/81/13/08/1192811308.db2.gz MWYGXVDBJWGJBQ-ROUUACIJSA-N 0 3 384.484 0.893 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000419142046 1192813388 /nfs/dbraw/zinc/81/33/88/1192813388.db2.gz BOSQPEIHCFXMQK-QGZVFWFLSA-N 0 3 389.477 0.783 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000419158368 1192817007 /nfs/dbraw/zinc/81/70/07/1192817007.db2.gz MUHACIXTBYQCEP-HIFRSBDPSA-N 0 3 397.497 0.196 20 0 GCADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)n2C ZINC000419165125 1192822847 /nfs/dbraw/zinc/82/28/47/1192822847.db2.gz FTNAABQOFHRVLF-SMDDNHRTSA-N 0 3 389.456 0.427 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000419168467 1192823651 /nfs/dbraw/zinc/82/36/51/1192823651.db2.gz KNRGEQXKSQVMKI-SWLSCSKDSA-N 0 3 376.457 0.716 20 0 GCADHN CC(=O)Nc1ccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419171306 1192825745 /nfs/dbraw/zinc/82/57/45/1192825745.db2.gz OWTKEOKEIDBZHQ-BLLLJJGKSA-N 0 3 376.457 0.533 20 0 GCADHN CC(=O)Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419171309 1192825949 /nfs/dbraw/zinc/82/59/49/1192825949.db2.gz OWTKEOKEIDBZHQ-WBMJQRKESA-N 0 3 376.457 0.533 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000419195634 1192831747 /nfs/dbraw/zinc/83/17/47/1192831747.db2.gz YHRBVYURCBYAEW-DGCLKSJQSA-N 0 3 384.839 0.279 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000419195635 1192833128 /nfs/dbraw/zinc/83/31/28/1192833128.db2.gz YHRBVYURCBYAEW-WCQYABFASA-N 0 3 384.839 0.279 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000366471558 1192835315 /nfs/dbraw/zinc/83/53/15/1192835315.db2.gz BFMASCLMQNUZCN-CQSZACIVSA-N 0 3 385.486 0.298 20 0 GCADHN C[C@@H]1CN(C2CCN(C(=O)C(=O)N3C[C@H]4CCCCN4C[C@@H]3C)CC2)CCO1 ZINC000410698007 1192837078 /nfs/dbraw/zinc/83/70/78/1192837078.db2.gz MKDOZWJRYQYXIY-YQVWRLOYSA-N 0 3 392.544 0.783 20 0 GCADHN COc1ccnc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3C(C)C)CC2)c1 ZINC000410698335 1192837737 /nfs/dbraw/zinc/83/77/37/1192837737.db2.gz NIXSEHLQUABISE-QGZVFWFLSA-N 0 3 389.500 0.537 20 0 GCADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@H]1C ZINC000410708576 1192844828 /nfs/dbraw/zinc/84/48/28/1192844828.db2.gz JWTGBJLCBHROPT-AUUYWEPGSA-N 0 3 379.457 0.827 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000410710215 1192846009 /nfs/dbraw/zinc/84/60/09/1192846009.db2.gz TZBZDYRGRMALDE-IBGZPJMESA-N 0 3 376.457 0.299 20 0 GCADHN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893775979 1192852700 /nfs/dbraw/zinc/85/27/00/1192852700.db2.gz UHMQHZNMDNKPFY-RDBSUJKOSA-N 0 3 392.422 0.780 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000728930089 1192864981 /nfs/dbraw/zinc/86/49/81/1192864981.db2.gz HZNPHOVQTACFRQ-UHFFFAOYSA-N 0 3 388.472 0.693 20 0 GCADHN CC(C)n1nc2c(c1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)CCC2 ZINC000473365007 1192877484 /nfs/dbraw/zinc/87/74/84/1192877484.db2.gz NZWBWJGNSFHZFI-OAHLLOKOSA-N 0 3 390.532 0.891 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[S@@](=O)[C@H](C)C3)c2)CC1 ZINC000473381146 1192882799 /nfs/dbraw/zinc/88/27/99/1192882799.db2.gz YQJUNYWCWXMMHW-YVORESIASA-N 0 3 392.525 0.746 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)[C@H]3CCOC3)c2)CC1 ZINC000473371280 1192879606 /nfs/dbraw/zinc/87/96/06/1192879606.db2.gz SSLWFGDPOVBSHJ-YJBOKZPZSA-N 0 3 390.484 0.281 20 0 GCADHN C[C@H](O)CN1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)[C@H](C)C1 ZINC000473374331 1192880529 /nfs/dbraw/zinc/88/05/29/1192880529.db2.gz AEWRMZKIKOELAS-KGLIPLIRSA-N 0 3 386.452 0.171 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)COCCOC)c2)CC1 ZINC000473386428 1192881520 /nfs/dbraw/zinc/88/15/20/1192881520.db2.gz UAEGDOKXIWFQBG-MRXNPFEDSA-N 0 3 392.500 0.935 20 0 GCADHN CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)N1CCOCC1 ZINC000549788633 1192883044 /nfs/dbraw/zinc/88/30/44/1192883044.db2.gz NAIAZMUEFCJYAZ-SQNIBIBYSA-N 0 3 380.533 0.545 20 0 GCADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000410728363 1192883440 /nfs/dbraw/zinc/88/34/40/1192883440.db2.gz DZGXGQUPVWIECZ-GUXCAODWSA-N 0 3 395.500 0.500 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)Cn3cccn3)C2)CC1 ZINC000549808550 1192888375 /nfs/dbraw/zinc/88/83/75/1192888375.db2.gz GPLKIWBWBHJIHH-IRXDYDNUSA-N 0 3 376.505 0.015 20 0 GCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000549796656 1192884697 /nfs/dbraw/zinc/88/46/97/1192884697.db2.gz IBVMRAZRQJVRRU-HOTGVXAUSA-N 0 3 378.517 0.694 20 0 GCADHN CCOC(=O)Cn1cc(CN2CCC(O)(COC)CC2)c(-c2cnn(C)c2)n1 ZINC000894034899 1192894438 /nfs/dbraw/zinc/89/44/38/1192894438.db2.gz VMGORZOJRADHIY-UHFFFAOYSA-N 0 3 391.472 0.820 20 0 GCADHN CN(C)CCn1cc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)ccc1=O ZINC000549824045 1192894618 /nfs/dbraw/zinc/89/46/18/1192894618.db2.gz KHBKMFNQZIYKPV-UHFFFAOYSA-N 0 3 389.441 0.186 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)N3C)CCC2 ZINC000549826428 1192894914 /nfs/dbraw/zinc/89/49/14/1192894914.db2.gz GPAHVAUXJBTEQI-IXDOHACOSA-N 0 3 389.500 0.718 20 0 GCADHN C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](C)N1CCO ZINC000894081415 1192897006 /nfs/dbraw/zinc/89/70/06/1192897006.db2.gz XRUTUDXJIXROOK-IYBDPMFKSA-N 0 3 383.514 0.599 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)NCC1CCN(CCO)CC1)OCC(=O)N2 ZINC000429844859 1192907869 /nfs/dbraw/zinc/90/78/69/1192907869.db2.gz JIDQPNGPARRXOJ-UHFFFAOYSA-N 0 3 399.469 0.009 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000549865115 1192908386 /nfs/dbraw/zinc/90/83/86/1192908386.db2.gz SCFAFROKUIUSEV-LJQANCHMSA-N 0 3 388.512 0.736 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCCn1cnc2ccccc21 ZINC000512584164 1192911981 /nfs/dbraw/zinc/91/19/81/1192911981.db2.gz XLBRWVOIDPAVOY-UHFFFAOYSA-N 0 3 388.516 0.726 20 0 GCADHN CN1CCN(CCNC(=O)NCCc2nnnn2-c2ccccc2)CC1(C)C ZINC000512592837 1192914231 /nfs/dbraw/zinc/91/42/31/1192914231.db2.gz PGPYZXFXWAEOPW-UHFFFAOYSA-N 0 3 386.504 0.530 20 0 GCADHN CN1CCN(CCCNC(=O)NCC2(CO)COC2)[C@@H](c2ccccc2)C1 ZINC000246091076 1192916197 /nfs/dbraw/zinc/91/61/97/1192916197.db2.gz IWAUGEDQBFRLQT-GOSISDBHSA-N 0 3 376.501 0.673 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CCN1 ZINC000419218199 1192918238 /nfs/dbraw/zinc/91/82/38/1192918238.db2.gz RUJBDPZYWVJMNK-BRWVUGGUSA-N 0 3 388.512 0.732 20 0 GCADHN CCc1cccc(NC(=O)CNC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000663879722 1192918776 /nfs/dbraw/zinc/91/87/76/1192918776.db2.gz ZWXANZKTEOLHIL-UHFFFAOYSA-N 0 3 377.489 0.849 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000663883444 1192920022 /nfs/dbraw/zinc/92/00/22/1192920022.db2.gz ARARMGKVWNKERY-UHFFFAOYSA-N 0 3 395.479 0.146 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000410942961 1192920284 /nfs/dbraw/zinc/92/02/84/1192920284.db2.gz HCLWMQRKBBZJSX-SQNIBIBYSA-N 0 3 379.501 0.726 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000274503116 1184078789 /nfs/dbraw/zinc/07/87/89/1184078789.db2.gz VHOLTLBQTPNPMD-UHFFFAOYSA-N 0 3 384.864 0.411 20 0 GCADHN CCc1nnc(-c2cccc(NC(=O)C(=O)NCCN(CC)CCO)c2)o1 ZINC000274507192 1184080528 /nfs/dbraw/zinc/08/05/28/1184080528.db2.gz WDJMMKSPWGKZDF-UHFFFAOYSA-N 0 3 375.429 0.668 20 0 GCADHN CCN(CCO)CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C ZINC000274508444 1184081243 /nfs/dbraw/zinc/08/12/43/1184081243.db2.gz GKUVIMQFOZIFKK-UHFFFAOYSA-N 0 3 386.518 0.244 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl ZINC000274509065 1184081862 /nfs/dbraw/zinc/08/18/62/1184081862.db2.gz WHLWAJKXOIBTEV-UHFFFAOYSA-N 0 3 398.891 0.847 20 0 GCADHN COC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc2c(c1)CCO2 ZINC000274515711 1184083278 /nfs/dbraw/zinc/08/32/78/1184083278.db2.gz HYNLLGCVERYHQI-QAPCUYQASA-N 0 3 389.452 0.362 20 0 GCADHN CCN(CCO)CCNC(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C ZINC000274515690 1184083715 /nfs/dbraw/zinc/08/37/15/1184083715.db2.gz HYEGXGVWHBGFDN-UHFFFAOYSA-N 0 3 391.472 0.645 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC3(C)OCCO3)c2)CC1 ZINC000274525736 1184087316 /nfs/dbraw/zinc/08/73/16/1184087316.db2.gz OLRKECXRFMASJO-UHFFFAOYSA-N 0 3 376.457 0.646 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000274530003 1184087911 /nfs/dbraw/zinc/08/79/11/1184087911.db2.gz DETDNVMUQWHXJB-INIZCTEOSA-N 0 3 391.516 0.750 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000274539541 1184092030 /nfs/dbraw/zinc/09/20/30/1184092030.db2.gz KNCZYGIUWCCJMI-AWEZNQCLSA-N 0 3 377.441 0.241 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000274542096 1184092385 /nfs/dbraw/zinc/09/23/85/1184092385.db2.gz KXUZNJNGSKDNTJ-UHFFFAOYSA-N 0 3 383.514 0.905 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000274544245 1184093129 /nfs/dbraw/zinc/09/31/29/1184093129.db2.gz SMSNHAFBWQLCTO-AWEZNQCLSA-N 0 3 376.457 0.539 20 0 GCADHN O=C(CNC(=O)CSc1nnc2ccccn21)NCCN1CCCCC1 ZINC000909320218 1184094046 /nfs/dbraw/zinc/09/40/46/1184094046.db2.gz GLFGVNHAGAXDFW-UHFFFAOYSA-N 0 3 376.486 0.540 20 0 GCADHN CCC[C@H](O)[C@@H](CO)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000413355724 1184095719 /nfs/dbraw/zinc/09/57/19/1184095719.db2.gz SIHOILLAOGQZNL-MOPGFXCFSA-N 0 3 379.501 0.964 20 0 GCADHN CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000274553954 1184097885 /nfs/dbraw/zinc/09/78/85/1184097885.db2.gz VMPOFXQNYNBINO-QGZVFWFLSA-N 0 3 387.484 0.504 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@H](COC)C3)c2)CC1 ZINC000274561098 1184100136 /nfs/dbraw/zinc/10/01/36/1184100136.db2.gz XEJAVMZDMNAQAT-SFHVURJKSA-N 0 3 390.484 0.641 20 0 GCADHN COc1ccc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1-n1cnnn1 ZINC000274571632 1184106671 /nfs/dbraw/zinc/10/66/71/1184106671.db2.gz AYKIWFIOEMGLRO-CQSZACIVSA-N 0 3 388.476 0.818 20 0 GCADHN COc1ccc(C(=O)NCC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1OC ZINC000274581175 1184109307 /nfs/dbraw/zinc/10/93/07/1184109307.db2.gz HERGECKQZAYVCQ-OAHLLOKOSA-N 0 3 392.500 0.576 20 0 GCADHN CNS(=O)(=O)C1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000274579602 1184109369 /nfs/dbraw/zinc/10/93/69/1184109369.db2.gz HFHAMBFAJLEQNJ-QGZVFWFLSA-N 0 3 382.530 0.419 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCC(CS(N)(=O)=O)CC1)c1ccccc1 ZINC000274584014 1184110869 /nfs/dbraw/zinc/11/08/69/1184110869.db2.gz IDVGQAUYDPLIJN-KRWDZBQOSA-N 0 3 382.530 0.406 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594087 1184112764 /nfs/dbraw/zinc/11/27/64/1184112764.db2.gz KSBCLHOCWJGDBL-WBVHZDCISA-N 0 3 382.530 0.406 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000274603779 1184115707 /nfs/dbraw/zinc/11/57/07/1184115707.db2.gz XLWQBSXDYCHBSM-BBWFWOEESA-N 0 3 379.501 0.783 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O ZINC000274606226 1184118377 /nfs/dbraw/zinc/11/83/77/1184118377.db2.gz YIBXUWYAFLAZBQ-UHFFFAOYSA-N 0 3 383.470 0.284 20 0 GCADHN CCN(CCO)CCNC(=O)CN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000274611553 1184120078 /nfs/dbraw/zinc/12/00/78/1184120078.db2.gz ZHVQAEWNLHWIFP-UHFFFAOYSA-N 0 3 379.486 0.673 20 0 GCADHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H](C)C1 ZINC000579747358 1184124834 /nfs/dbraw/zinc/12/48/34/1184124834.db2.gz KOPXUUUHKXCQCC-WOSRLPQWSA-N 0 3 385.468 0.435 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000274626051 1184125299 /nfs/dbraw/zinc/12/52/99/1184125299.db2.gz RFTIORDENSJPLJ-COXVUDFISA-N 0 3 392.525 0.833 20 0 GCADHN CCOC(=O)COc1ccc(CCNC(=O)NCCN(CC)CCO)cc1 ZINC000274636738 1184133224 /nfs/dbraw/zinc/13/32/24/1184133224.db2.gz JGWXFDQNTSFXHY-UHFFFAOYSA-N 0 3 381.473 0.784 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)CC(C)(CO)CO)cc2)CC1 ZINC000784906074 1184133411 /nfs/dbraw/zinc/13/34/11/1184133411.db2.gz GHEIKUUIXCWPDF-UHFFFAOYSA-N 0 3 392.500 0.216 20 0 GCADHN COC(=O)CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC(OC)OC ZINC000274644697 1184140790 /nfs/dbraw/zinc/14/07/90/1184140790.db2.gz LSGMJQXGGRFMBA-KRWDZBQOSA-N 0 3 395.500 0.890 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OCCOC)nc2)CC1 ZINC000616368522 1184146725 /nfs/dbraw/zinc/14/67/25/1184146725.db2.gz SKLGMSXPGJHMEF-OAHLLOKOSA-N 0 3 393.488 0.188 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OCCOC)nc2)CC1 ZINC000616368521 1184146953 /nfs/dbraw/zinc/14/69/53/1184146953.db2.gz SKLGMSXPGJHMEF-HNNXBMFYSA-N 0 3 393.488 0.188 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O ZINC000605304410 1184181519 /nfs/dbraw/zinc/18/15/19/1184181519.db2.gz QRMVVTZRVOUAGT-UHFFFAOYSA-N 0 3 390.484 0.362 20 0 GCADHN COc1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)ccc1OCC(N)=O ZINC000274689446 1184187139 /nfs/dbraw/zinc/18/71/39/1184187139.db2.gz UVTJTDWXAIGDTN-CQSZACIVSA-N 0 3 378.473 0.315 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000654895556 1184188881 /nfs/dbraw/zinc/18/88/81/1184188881.db2.gz YKYJQCVZANSGMI-UHFFFAOYSA-N 0 3 389.460 0.753 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1C[C@H](OC)CN1C(=O)OCc1ccccc1 ZINC000274712564 1184210139 /nfs/dbraw/zinc/21/01/39/1184210139.db2.gz QQQCAWXGKLZBJE-ZWKOTPCHSA-N 0 3 393.484 0.843 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1=O ZINC000430179082 1184211981 /nfs/dbraw/zinc/21/19/81/1184211981.db2.gz NJWRFUBAPIQMBF-OXFYSEKESA-N 0 3 377.460 0.818 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000274715210 1184213684 /nfs/dbraw/zinc/21/36/84/1184213684.db2.gz FTMBVYSRQRQDFW-HOTGVXAUSA-N 0 3 395.525 0.684 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000274715213 1184213851 /nfs/dbraw/zinc/21/38/51/1184213851.db2.gz FTMBVYSRQRQDFW-HZPDHXFCSA-N 0 3 395.525 0.684 20 0 GCADHN CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000654947036 1184219447 /nfs/dbraw/zinc/21/94/47/1184219447.db2.gz QMKCQYQHBYURDR-KBPBESRZSA-N 0 3 380.470 0.557 20 0 GCADHN CN(C)CCn1cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)ccc1=O ZINC000274758379 1184269756 /nfs/dbraw/zinc/26/97/56/1184269756.db2.gz QGBIFANXOSDHKO-UHFFFAOYSA-N 0 3 393.391 0.970 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000655073692 1184275835 /nfs/dbraw/zinc/27/58/35/1184275835.db2.gz BBXXQSLPQBGCRZ-HXPMCKFVSA-N 0 3 379.407 0.891 20 0 GCADHN CC(C)c1nnc(NC(=O)CCC(=O)NC[C@@]2(O)CN3CCC2CC3)s1 ZINC000655073531 1184277395 /nfs/dbraw/zinc/27/73/95/1184277395.db2.gz WEUUIFLMYDPDRD-QGZVFWFLSA-N 0 3 381.502 0.953 20 0 GCADHN CCOC(=O)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)Cc1ccccc1 ZINC001625797444 1184278029 /nfs/dbraw/zinc/27/80/29/1184278029.db2.gz HLBXCFOYJBCXAK-QZTJIDSGSA-N 0 3 389.496 0.935 20 0 GCADHN O=C(NCc1nnc(C2CCOCC2)[nH]1)NC1CCN([C@H]2CCOC2)CC1 ZINC001687117890 1184278116 /nfs/dbraw/zinc/27/81/16/1184278116.db2.gz UDAZNNMSVNGRDA-HNNXBMFYSA-N 0 3 378.477 0.751 20 0 GCADHN CCOC(=O)[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)Cc1ccccc1 ZINC001625797443 1184278200 /nfs/dbraw/zinc/27/82/00/1184278200.db2.gz HLBXCFOYJBCXAK-MSOLQXFVSA-N 0 3 389.496 0.935 20 0 GCADHN COCCn1cc(N2C[C@H](C(=O)N3[C@@H]4CC[C@H]3CCN(C)C4)CC2=O)cn1 ZINC000655090406 1184281528 /nfs/dbraw/zinc/28/15/28/1184281528.db2.gz LYLFHZKOXLEQPM-OWCLPIDISA-N 0 3 375.473 0.578 20 0 GCADHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(OC)c1 ZINC000655093583 1184282364 /nfs/dbraw/zinc/28/23/64/1184282364.db2.gz WVUHYJSJNGUCJJ-ULQDDVLXSA-N 0 3 391.468 0.442 20 0 GCADHN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)n(C)c2)C1 ZINC000655094430 1184283003 /nfs/dbraw/zinc/28/30/03/1184283003.db2.gz BIQSIENBXYHWHV-COXVUDFISA-N 0 3 398.529 0.193 20 0 GCADHN C[C@@H](CNC(=O)NC1CCN(c2cccnn2)CC1)CN1CCN(C)CC1 ZINC000683211765 1184290703 /nfs/dbraw/zinc/29/07/03/1184290703.db2.gz PFQUCBFPRTXSEA-INIZCTEOSA-N 0 3 375.521 0.628 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NC[C@H]3CCc4ccccc4C3)C2)nn1 ZINC000642699662 1184297458 /nfs/dbraw/zinc/29/74/58/1184297458.db2.gz FQMLGANWDMHJCA-KXBFYZLASA-N 0 3 396.495 0.822 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@@H]1O ZINC000969412750 1184299121 /nfs/dbraw/zinc/29/91/21/1184299121.db2.gz KPUPSLWGNWJREC-ABFRBSLYSA-N 0 3 376.457 0.011 20 0 GCADHN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C[C@H]3CNCCO3)C2)cc1 ZINC000430226344 1184304392 /nfs/dbraw/zinc/30/43/92/1184304392.db2.gz MFYWIMMGVUYTCS-SJORKVTESA-N 0 3 395.525 0.890 20 0 GCADHN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)C[C@@H]3CNCCO3)C2)cc1 ZINC000430226340 1184304527 /nfs/dbraw/zinc/30/45/27/1184304527.db2.gz MFYWIMMGVUYTCS-IAGOWNOFSA-N 0 3 395.525 0.890 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC000579835501 1184308802 /nfs/dbraw/zinc/30/88/02/1184308802.db2.gz CHTLSRVXMISVHY-AWEZNQCLSA-N 0 3 375.429 0.559 20 0 GCADHN CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000655147932 1184309514 /nfs/dbraw/zinc/30/95/14/1184309514.db2.gz GJNCQLWRVLGERP-YCPHGPKFSA-N 0 3 385.461 0.160 20 0 GCADHN CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000579836597 1184310612 /nfs/dbraw/zinc/31/06/12/1184310612.db2.gz PFKZTHDLVJLQLM-AWEZNQCLSA-N 0 3 378.458 0.122 20 0 GCADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)CCS2 ZINC000890601829 1184319908 /nfs/dbraw/zinc/31/99/08/1184319908.db2.gz FLTRNAXURACPJF-RQMAVPSVSA-N 0 3 397.541 0.730 20 0 GCADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)CCS2 ZINC000890601831 1184320330 /nfs/dbraw/zinc/32/03/30/1184320330.db2.gz FLTRNAXURACPJF-XNDRKVBMSA-N 0 3 397.541 0.730 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)NCCN3CCCS3(=O)=O)c2)CC1 ZINC000274798117 1184321715 /nfs/dbraw/zinc/32/17/15/1184321715.db2.gz JNGZOHUIDMCVPC-UHFFFAOYSA-N 0 3 395.529 0.986 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)c2)CC1 ZINC000274803786 1184337164 /nfs/dbraw/zinc/33/71/64/1184337164.db2.gz LAUTXTCRRULZJO-IRXDYDNUSA-N 0 3 375.473 0.983 20 0 GCADHN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cs1 ZINC000579853648 1184342914 /nfs/dbraw/zinc/34/29/14/1184342914.db2.gz YAJHIPAMONRVLI-NEPJUHHUSA-N 0 3 379.486 0.441 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1O ZINC000969613600 1184353839 /nfs/dbraw/zinc/35/38/39/1184353839.db2.gz MGBWRAUWNVMWEP-NCOADZHNSA-N 0 3 381.517 0.754 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000471181805 1184364184 /nfs/dbraw/zinc/36/41/84/1184364184.db2.gz HXRIANAFEMSLBC-INIZCTEOSA-N 0 3 383.537 0.027 20 0 GCADHN CC(C)(C)CCN1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000069269438 1184366716 /nfs/dbraw/zinc/36/67/16/1184366716.db2.gz CZDOTRFGMWZWKN-SFHVURJKSA-N 0 3 394.560 0.748 20 0 GCADHN COCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN2CCOC)c1 ZINC000069531863 1184369249 /nfs/dbraw/zinc/36/92/49/1184369249.db2.gz HIZKIUSRTLUQPU-MRXNPFEDSA-N 0 3 399.513 0.452 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OCC ZINC000579860270 1184380015 /nfs/dbraw/zinc/38/00/15/1184380015.db2.gz BHUFUKSJTPPZPF-GXTWGEPZSA-N 0 3 383.470 0.417 20 0 GCADHN C[C@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)C(=O)N1CCCC[C@H]1C ZINC000579861586 1184383419 /nfs/dbraw/zinc/38/34/19/1184383419.db2.gz ZEZVSPBMXSTWKE-SJORKVTESA-N 0 3 395.548 0.036 20 0 GCADHN CNC(=O)[C@]1(C)CCN(CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)C1 ZINC000430256568 1184387001 /nfs/dbraw/zinc/38/70/01/1184387001.db2.gz JEWFKMJCDHYBOV-HXUWFJFHSA-N 0 3 380.533 0.845 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1)N(C)Cc1ccccc1 ZINC000287466854 1184413380 /nfs/dbraw/zinc/41/33/80/1184413380.db2.gz UDQOOMOXFZNEEQ-UAGQMJEPSA-N 0 3 388.468 0.580 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCS(=O)(=O)c3ccccc3C2)CC1=O ZINC000274886429 1184419532 /nfs/dbraw/zinc/41/95/32/1184419532.db2.gz CMNFJIUPQGOZSF-HNNXBMFYSA-N 0 3 379.482 0.213 20 0 GCADHN CN1CCN(Cc2ccc(C(=O)N3CCC[C@H](N4CCNCC4=O)C3)cc2)CC1 ZINC000274952585 1184441593 /nfs/dbraw/zinc/44/15/93/1184441593.db2.gz DTRDNSZRFPEMRA-FQEVSTJZSA-N 0 3 399.539 0.470 20 0 GCADHN COc1cc(CN2CC[C@@H](NC(=O)CN3CCN(C)CC3)C2)cc(OC)c1 ZINC000088251315 1184460172 /nfs/dbraw/zinc/46/01/72/1184460172.db2.gz LJGBVJVOAOPAQM-QGZVFWFLSA-N 0 3 376.501 0.642 20 0 GCADHN COCCCN1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001209055359 1184462580 /nfs/dbraw/zinc/46/25/80/1184462580.db2.gz XBTXWJOXGZPTEG-UHFFFAOYSA-N 0 3 383.474 0.632 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000246214486 1184477979 /nfs/dbraw/zinc/47/79/79/1184477979.db2.gz FEXFFWSXKXKFOX-VQHPVUNQSA-N 0 3 376.501 0.892 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)c(OC)c1 ZINC000430295471 1184483642 /nfs/dbraw/zinc/48/36/42/1184483642.db2.gz CEGOVILJTYWMIH-OAHLLOKOSA-N 0 3 377.441 0.367 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)C[C@H]3CNCCO3)CC2)c(OC)c1 ZINC000430295470 1184484221 /nfs/dbraw/zinc/48/42/21/1184484221.db2.gz CEGOVILJTYWMIH-HNNXBMFYSA-N 0 3 377.441 0.367 20 0 GCADHN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000547759514 1184487857 /nfs/dbraw/zinc/48/78/57/1184487857.db2.gz UMCISYKLUVUAFY-GOEBONIOSA-N 0 3 393.440 0.220 20 0 GCADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000547759516 1184488459 /nfs/dbraw/zinc/48/84/59/1184488459.db2.gz UMCISYKLUVUAFY-ZBFHGGJFSA-N 0 3 393.440 0.220 20 0 GCADHN C[C@@H]1CC[C@H](CNc2nc(NC[C@@H]3CC[C@H](C)O3)nc(N3CCOCC3)n2)O1 ZINC000413373821 1184494331 /nfs/dbraw/zinc/49/43/31/1184494331.db2.gz ICQYNDGGTPTZGY-GEEKYZPCSA-N 0 3 392.504 0.511 20 0 GCADHN CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000535630773 1184503465 /nfs/dbraw/zinc/50/34/65/1184503465.db2.gz IZLPIAJCRSKCJI-IAGOWNOFSA-N 0 3 383.514 0.267 20 0 GCADHN CN(C)S(=O)(=O)N[C@@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CCCC1 ZINC000655548105 1184528919 /nfs/dbraw/zinc/52/89/19/1184528919.db2.gz HNPYBYSIVKLKDX-ZBFHGGJFSA-N 0 3 387.550 0.477 20 0 GCADHN CN1CCN(c2ncc(CN3CC[C@@H](C(=O)NCC(F)(F)F)C3)cn2)CC1 ZINC000275142243 1184531685 /nfs/dbraw/zinc/53/16/85/1184531685.db2.gz OTRODQSXRMAHLA-CQSZACIVSA-N 0 3 386.422 0.729 20 0 GCADHN CCN(CCO)CCNC(=O)c1cccc(I)c1N ZINC001625841851 1184558133 /nfs/dbraw/zinc/55/81/33/1184558133.db2.gz LUBASKNHYWTHTQ-UHFFFAOYSA-N 0 3 377.226 0.917 20 0 GCADHN COCC(=O)N1CCc2cc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)ccc21 ZINC000275274824 1184576385 /nfs/dbraw/zinc/57/63/85/1184576385.db2.gz QXVPIQKQNABAKM-HNNXBMFYSA-N 0 3 388.468 0.571 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246322208 1184579156 /nfs/dbraw/zinc/57/91/56/1184579156.db2.gz CTYGZRMSQLKAQW-MPKXVKKWSA-N 0 3 383.518 0.445 20 0 GCADHN O=S(=O)(c1ccc(OCCN2CCC(CO)CC2)cc1)N1CCOCC1 ZINC000046090549 1184581191 /nfs/dbraw/zinc/58/11/91/1184581191.db2.gz HYZRRIRGMSUARF-UHFFFAOYSA-N 0 3 384.498 0.791 20 0 GCADHN Cc1c([C@H]2OCC[C@@H]2C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cnn1C ZINC000275314024 1184599733 /nfs/dbraw/zinc/59/97/33/1184599733.db2.gz OAQOXWHHUAUJGA-SZMVWBNQSA-N 0 3 391.516 0.865 20 0 GCADHN CC(C)OCCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000510211918 1184611942 /nfs/dbraw/zinc/61/19/42/1184611942.db2.gz SSQCYUGNFDDSQM-UHFFFAOYSA-N 0 3 382.505 0.074 20 0 GCADHN COC(=O)C[C@](C)(NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccncc1 ZINC000275336962 1184613566 /nfs/dbraw/zinc/61/35/66/1184613566.db2.gz WJCWXCXNMYYVJP-LIRRHRJNSA-N 0 3 376.457 0.386 20 0 GCADHN CC(C)OCCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000510217670 1184616045 /nfs/dbraw/zinc/61/60/45/1184616045.db2.gz NXDOPUXJYFCQDV-MRXNPFEDSA-N 0 3 382.505 0.073 20 0 GCADHN CN(C)CCn1c2cc(C(=O)N3CCC[C@H]3c3nc(=N)n(C)[nH]3)ccc2[nH]c1=O ZINC001625861108 1184617054 /nfs/dbraw/zinc/61/70/54/1184617054.db2.gz QVQFYJWNJMMHRH-AWEZNQCLSA-N 0 3 398.471 0.822 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](O)C3(C)C)cc21 ZINC000275343782 1184617671 /nfs/dbraw/zinc/61/76/71/1184617671.db2.gz RIHIOPZWFPGSHI-HUUCEWRRSA-N 0 3 390.440 0.370 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000155344888 1184622439 /nfs/dbraw/zinc/62/24/39/1184622439.db2.gz DLSOKBUWWSZXFU-OAHLLOKOSA-N 0 3 380.514 0.454 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000155344784 1184622639 /nfs/dbraw/zinc/62/26/39/1184622639.db2.gz DLSOKBUWWSZXFU-HNNXBMFYSA-N 0 3 380.514 0.454 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275353159 1184624808 /nfs/dbraw/zinc/62/48/08/1184624808.db2.gz VCJLYYDCFRECTD-JLSDUUJJSA-N 0 3 389.500 0.347 20 0 GCADHN COc1ccc(C(=O)N2CCC(NC(=O)C[C@@H]3CNCCO3)CC2)cc1OC ZINC000430383911 1184635496 /nfs/dbraw/zinc/63/54/96/1184635496.db2.gz HVYYOJVOSBXDAR-MRXNPFEDSA-N 0 3 391.468 0.803 20 0 GCADHN COc1ccc(C(=O)N2CCC(NC(=O)COC3CNC3)CC2)cc1OC ZINC000430391302 1184640450 /nfs/dbraw/zinc/64/04/50/1184640450.db2.gz YZODFNMLBKAEFU-UHFFFAOYSA-N 0 3 377.441 0.413 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1(C)C ZINC000275384345 1184646139 /nfs/dbraw/zinc/64/61/39/1184646139.db2.gz AEMSHIXAFASGDT-OXJNMPFZSA-N 0 3 375.517 0.982 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1(C)C ZINC000275407576 1184655823 /nfs/dbraw/zinc/65/58/23/1184655823.db2.gz CLZXFJKKDLPIJO-OXQOHEQNSA-N 0 3 375.517 0.982 20 0 GCADHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000275406965 1184656119 /nfs/dbraw/zinc/65/61/19/1184656119.db2.gz CTYPWLWDRWIFCE-GJZGRUSLSA-N 0 3 375.469 0.421 20 0 GCADHN COc1cccc(Cn2nccc2NC(=O)C(=O)N(C)CCN(C)C)c1OC ZINC000275417001 1184659348 /nfs/dbraw/zinc/65/93/48/1184659348.db2.gz LSAWHAJNYNINCD-UHFFFAOYSA-N 0 3 389.456 0.907 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000275417060 1184659513 /nfs/dbraw/zinc/65/95/13/1184659513.db2.gz LTXAADKCPNUZIU-UHFFFAOYSA-N 0 3 383.452 0.970 20 0 GCADHN Cc1c([C@H]2OCC[C@@H]2C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cnn1C ZINC000275432744 1184665827 /nfs/dbraw/zinc/66/58/27/1184665827.db2.gz CTQWMTQHZMSECV-JQHSSLGASA-N 0 3 389.500 0.571 20 0 GCADHN COCCO[C@H]1CCN(C[C@@H](O)COc2ccc(C(=O)OC)cc2OC)C1 ZINC000275442720 1184671867 /nfs/dbraw/zinc/67/18/67/1184671867.db2.gz AFLNLDBKNMVHKN-CVEARBPZSA-N 0 3 383.441 0.959 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C)c(C)c1S(=O)(=O)NC1CC1 ZINC000275450445 1184673195 /nfs/dbraw/zinc/67/31/95/1184673195.db2.gz SMJHRFZBHVWJPT-UHFFFAOYSA-N 0 3 396.513 0.703 20 0 GCADHN CCCNC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C)c2ccccc2O1 ZINC000275460881 1184677695 /nfs/dbraw/zinc/67/76/95/1184677695.db2.gz VLZHACJRFZIETQ-MRXNPFEDSA-N 0 3 376.457 0.327 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2c(C)csc2C(=O)OC)CC1 ZINC000275506971 1184694094 /nfs/dbraw/zinc/69/40/94/1184694094.db2.gz SXDKTJAMJOFKCE-UHFFFAOYSA-N 0 3 396.513 0.925 20 0 GCADHN CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCNCC3)c2)CC1 ZINC000579931818 1184738129 /nfs/dbraw/zinc/73/81/29/1184738129.db2.gz INODHBGWEAEZLX-UHFFFAOYSA-N 0 3 381.502 0.450 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000579927960 1184738502 /nfs/dbraw/zinc/73/85/02/1184738502.db2.gz IGBZYMPVBXDGQT-SJORKVTESA-N 0 3 394.516 0.169 20 0 GCADHN O=C(C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N1CC[C@@H](N2CCCC2)C1 ZINC000579927985 1184738672 /nfs/dbraw/zinc/73/86/72/1184738672.db2.gz NASOOFNNEJHAQD-GVDBMIGSSA-N 0 3 384.480 0.491 20 0 GCADHN COc1cccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1OC ZINC000579933600 1184748777 /nfs/dbraw/zinc/74/87/77/1184748777.db2.gz JJDYFOFDTXYZHZ-OCCSQVGLSA-N 0 3 379.457 0.592 20 0 GCADHN CC(C)CNC(=O)C1CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000890898322 1184750676 /nfs/dbraw/zinc/75/06/76/1184750676.db2.gz RTSVROKJGCFZIR-LJQANCHMSA-N 0 3 396.576 0.944 20 0 GCADHN C[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000275592972 1184779984 /nfs/dbraw/zinc/77/99/84/1184779984.db2.gz JRUBKMQDUWOESC-VBNZEHGJSA-N 0 3 396.513 0.898 20 0 GCADHN C[C@H](NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CN(C)CCO1 ZINC000655709912 1184782721 /nfs/dbraw/zinc/78/27/21/1184782721.db2.gz PENPFDGDAGEKCG-IPELMVKDSA-N 0 3 376.501 0.424 20 0 GCADHN COC(=O)c1scc(C)c1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000275597401 1184789141 /nfs/dbraw/zinc/78/91/41/1184789141.db2.gz HHFSPZPBMJEHLF-LBPRGKRZSA-N 0 3 396.513 0.781 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CC[C@H](CF)C3)cc21 ZINC000891023923 1184847448 /nfs/dbraw/zinc/84/74/48/1184847448.db2.gz OSZMIIFRXOFTIV-GFCCVEGCSA-N 0 3 378.404 0.913 20 0 GCADHN Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cn1 ZINC000047056002 1184902151 /nfs/dbraw/zinc/90/21/51/1184902151.db2.gz XRNDYXRGQKWQGS-AWEZNQCLSA-N 0 3 397.526 0.713 20 0 GCADHN CCCN(CCO)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000275674226 1184907634 /nfs/dbraw/zinc/90/76/34/1184907634.db2.gz PKXGUSOHVWJDBK-UHFFFAOYSA-N 0 3 378.429 0.326 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)CC1 ZINC000891101349 1184943412 /nfs/dbraw/zinc/94/34/12/1184943412.db2.gz DEAXRKBOOPLKEJ-ZWOKBUDYSA-N 0 3 396.532 0.909 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)CC1 ZINC000891101345 1184943619 /nfs/dbraw/zinc/94/36/19/1184943619.db2.gz DEAXRKBOOPLKEJ-FUHIMQAGSA-N 0 3 396.532 0.909 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)N1CCC[C@@H](C)C1 ZINC000041652765 1184963501 /nfs/dbraw/zinc/96/35/01/1184963501.db2.gz PQNOPPCAWDKHRD-KGLIPLIRSA-N 0 3 376.457 0.726 20 0 GCADHN COC(=O)[C@@H]1[C@H](CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C1(F)F ZINC000891120035 1184964371 /nfs/dbraw/zinc/96/43/71/1184964371.db2.gz DVGUDUGYKIIZHY-FZMZJTMJSA-N 0 3 399.394 0.866 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 ZINC000041720415 1184964666 /nfs/dbraw/zinc/96/46/66/1184964666.db2.gz RDNZXZMGPYHNQI-UHFFFAOYSA-N 0 3 390.484 0.864 20 0 GCADHN C[C@@H](CNC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1)CN1CCN(C)CC1 ZINC000548017242 1184965740 /nfs/dbraw/zinc/96/57/40/1184965740.db2.gz XHCKUPDIXLIGGE-RYQLBKOJSA-N 0 3 378.521 0.823 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000275726173 1184986882 /nfs/dbraw/zinc/98/68/82/1184986882.db2.gz UUGDQRBSBOOAMW-HNNXBMFYSA-N 0 3 390.484 0.545 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000275742860 1184997695 /nfs/dbraw/zinc/99/76/95/1184997695.db2.gz RIJQZOVBZUEAKF-CQSZACIVSA-N 0 3 390.488 0.967 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N(C)CCN3CCCC3)CC2)nc1 ZINC000656068128 1185004592 /nfs/dbraw/zinc/00/45/92/1185004592.db2.gz PIODGMPVCFAYDL-UHFFFAOYSA-N 0 3 375.473 0.709 20 0 GCADHN COC[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H]1CCCOC1 ZINC000891179574 1185011221 /nfs/dbraw/zinc/01/12/21/1185011221.db2.gz YTZCCPVIKZSVPT-IXDOHACOSA-N 0 3 382.505 0.376 20 0 GCADHN COCCNC(=O)Cn1cc(NC(=O)Nc2ccnn2CCN(C)C)cn1 ZINC001670511375 1185020793 /nfs/dbraw/zinc/02/07/93/1185020793.db2.gz DSDSXQJMAZPVTB-UHFFFAOYSA-N 0 3 378.437 0.048 20 0 GCADHN CS[C@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C[C@@H]1N(C)C ZINC000536339383 1185023780 /nfs/dbraw/zinc/02/37/80/1185023780.db2.gz XLZYXYVVYXXIPP-KBPBESRZSA-N 0 3 390.517 0.240 20 0 GCADHN CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)c1 ZINC000275760467 1185033775 /nfs/dbraw/zinc/03/37/75/1185033775.db2.gz MMOKLZYIHXBDIR-DZGCQCFKSA-N 0 3 383.445 0.075 20 0 GCADHN CO[C@@H](c1ccccc1F)[C@H](C)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000580056843 1185038702 /nfs/dbraw/zinc/03/87/02/1185038702.db2.gz JMIYGHZVUVDGFV-SWLSCSKDSA-N 0 3 378.452 0.689 20 0 GCADHN O=C([C@H]1C[C@H](F)CN1)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000275778200 1185045783 /nfs/dbraw/zinc/04/57/83/1185045783.db2.gz SEYIJCVWHNPQOL-CMPLNLGQSA-N 0 3 399.473 0.946 20 0 GCADHN CC(C)OCCOC[C@@H](O)CN(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000275793070 1185057596 /nfs/dbraw/zinc/05/75/96/1185057596.db2.gz GRFQJMYMQPEVOM-SFHVURJKSA-N 0 3 395.500 0.948 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)NCCNS(C)(=O)=O)cc2)CC1 ZINC000045587606 1185059392 /nfs/dbraw/zinc/05/93/92/1185059392.db2.gz ISMIPFNMEZVZCW-UHFFFAOYSA-N 0 3 397.545 0.173 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 ZINC000275795183 1185064138 /nfs/dbraw/zinc/06/41/38/1185064138.db2.gz DEGMOLBDJQYNFW-UHFFFAOYSA-N 0 3 389.500 0.544 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](O)C1 ZINC000970848557 1185096516 /nfs/dbraw/zinc/09/65/16/1185096516.db2.gz MSZZPYTWYFNUPT-DBDQLMEASA-N 0 3 387.480 0.617 20 0 GCADHN O=C(C(=O)N1CCCN(Cc2cscn2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000580165468 1185098737 /nfs/dbraw/zinc/09/87/37/1185098737.db2.gz PREMOTWFOWTYCB-KRWDZBQOSA-N 0 3 391.541 0.874 20 0 GCADHN O=C(Cc1cccc(F)c1)N1CCCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000580173658 1185104595 /nfs/dbraw/zinc/10/45/95/1185104595.db2.gz SEFKKIHENKZVCX-KRWDZBQOSA-N 0 3 378.448 0.601 20 0 GCADHN O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000580189486 1185111855 /nfs/dbraw/zinc/11/18/55/1185111855.db2.gz RKMVYEPKTBUCBQ-CQSZACIVSA-N 0 3 384.440 0.334 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NCCN1CCOCC1(C)C)Cc1ccccc1 ZINC000580219600 1185121616 /nfs/dbraw/zinc/12/16/16/1185121616.db2.gz SZRWOCAUSUPOAW-SFHVURJKSA-N 0 3 390.528 0.503 20 0 GCADHN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580218085 1185123117 /nfs/dbraw/zinc/12/31/17/1185123117.db2.gz QAELZSPHYRWPMT-PMPSAXMXSA-N 0 3 392.887 0.548 20 0 GCADHN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580218082 1185123190 /nfs/dbraw/zinc/12/31/90/1185123190.db2.gz QAELZSPHYRWPMT-BZUAXINKSA-N 0 3 392.887 0.548 20 0 GCADHN COCc1nc2sc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)c(C)c2c(OC)n1 ZINC000580225160 1185123744 /nfs/dbraw/zinc/12/37/44/1185123744.db2.gz CGSRDXXIZOLUEW-QWRGUYRKSA-N 0 3 380.470 0.902 20 0 GCADHN Cc1ccc(CNC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(=O)n1C ZINC000683848553 1185131053 /nfs/dbraw/zinc/13/10/53/1185131053.db2.gz HXGDQRNNGXTCHR-QAPCUYQASA-N 0 3 375.517 0.861 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCCC2)c2ccccc2O1 ZINC000070965774 1185146078 /nfs/dbraw/zinc/14/60/78/1185146078.db2.gz IKHRZUWERVFOCB-CJNGLKHVSA-N 0 3 375.425 0.554 20 0 GCADHN CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000275826159 1185157803 /nfs/dbraw/zinc/15/78/03/1185157803.db2.gz KUYOZLVWYDCMPS-UHFFFAOYSA-N 0 3 392.525 0.811 20 0 GCADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000580326798 1185166778 /nfs/dbraw/zinc/16/67/78/1185166778.db2.gz NNHZLWHDFLRTSQ-OAHLLOKOSA-N 0 3 390.465 0.856 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC000683878104 1185172312 /nfs/dbraw/zinc/17/23/12/1185172312.db2.gz JQFXAWFDJBYIPD-HNNXBMFYSA-N 0 3 398.467 0.918 20 0 GCADHN Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000580331695 1185172331 /nfs/dbraw/zinc/17/23/31/1185172331.db2.gz FOBMSQUTNZPCOK-SJORKVTESA-N 0 3 382.468 0.943 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)(C)C)c2)CC1 ZINC000275844695 1185177765 /nfs/dbraw/zinc/17/77/65/1185177765.db2.gz AGSFUBNTRKNKMG-MRXNPFEDSA-N 0 3 389.500 0.783 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CCn2c(C)cc(O)cc2=O)CC1 ZINC000275857324 1185187826 /nfs/dbraw/zinc/18/78/26/1185187826.db2.gz XCYAMYXXHQWJLE-UHFFFAOYSA-N 0 3 378.473 0.265 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCOCC1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC001670597121 1185199467 /nfs/dbraw/zinc/19/94/67/1185199467.db2.gz DAKHBMCUMNMSEL-LSDHHAIUSA-N 0 3 397.501 0.618 20 0 GCADHN NC(=O)[C@@H]1CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000051710344 1185217496 /nfs/dbraw/zinc/21/74/96/1185217496.db2.gz ZUOPGIYMKCGKDN-SFHVURJKSA-N 0 3 389.500 0.485 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000580405827 1185220652 /nfs/dbraw/zinc/22/06/52/1185220652.db2.gz ZTZFOEHATPIQMD-INIZCTEOSA-N 0 3 390.484 0.783 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC000275888950 1185237065 /nfs/dbraw/zinc/23/70/65/1185237065.db2.gz HFIVWRUXXRWZMX-UHFFFAOYSA-N 0 3 382.486 0.574 20 0 GCADHN CC(C)Oc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000580467394 1185240715 /nfs/dbraw/zinc/24/07/15/1185240715.db2.gz XSEYNZSXHIKFMF-JLJPHGGASA-N 0 3 388.468 0.421 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000275894533 1185247958 /nfs/dbraw/zinc/24/79/58/1185247958.db2.gz ICNPUHPGQKRFSM-UHFFFAOYSA-N 0 3 386.452 0.827 20 0 GCADHN COc1ncc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1C(N)=O ZINC000275906509 1185264744 /nfs/dbraw/zinc/26/47/44/1185264744.db2.gz PXPDSJOVOLTOPB-WBMJQRKESA-N 0 3 399.451 0.935 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(Cc4ccc(F)cc4)CC3)CCN2C1=O ZINC000580571963 1185278634 /nfs/dbraw/zinc/27/86/34/1185278634.db2.gz JXXSZIGKURKJQF-CVEARBPZSA-N 0 3 388.443 0.035 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000047962102 1185283044 /nfs/dbraw/zinc/28/30/44/1185283044.db2.gz YMZQHZWFKLNONP-UHFFFAOYSA-N 0 3 379.436 0.007 20 0 GCADHN Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c2)n1 ZINC000580658625 1185298344 /nfs/dbraw/zinc/29/83/44/1185298344.db2.gz CXENMQRPAABVNL-IRXDYDNUSA-N 0 3 396.451 0.198 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000610461424 1185331094 /nfs/dbraw/zinc/33/10/94/1185331094.db2.gz UWGLGOOSKFNRNL-INIZCTEOSA-N 0 3 384.521 0.766 20 0 GCADHN C[C@H](CNC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000610461148 1185334944 /nfs/dbraw/zinc/33/49/44/1185334944.db2.gz LCJDAVZGVFKUSD-CVEARBPZSA-N 0 3 384.521 0.622 20 0 GCADHN O=C(NC1CCN(C(=O)C2CC2)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656288641 1185337473 /nfs/dbraw/zinc/33/74/73/1185337473.db2.gz FJAWMCVXPRBYTD-SJORKVTESA-N 0 3 376.501 0.637 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C1=CCN(C)CC1 ZINC000275955597 1185339526 /nfs/dbraw/zinc/33/95/26/1185339526.db2.gz BXBOGVAOOWTDFY-ZDUSSCGKSA-N 0 3 384.440 0.276 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000580762434 1185348924 /nfs/dbraw/zinc/34/89/24/1185348924.db2.gz CBLQPDWPFHOZDW-CQSZACIVSA-N 0 3 387.484 0.985 20 0 GCADHN O=C(C[C@H]1CNCCO1)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000430514510 1185364978 /nfs/dbraw/zinc/36/49/78/1185364978.db2.gz KNBSUWLZAZHASK-YJBOKZPZSA-N 0 3 389.452 0.312 20 0 GCADHN CC(=O)NCC(=O)NCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000058841579 1185365663 /nfs/dbraw/zinc/36/56/63/1185365663.db2.gz KVUWZBXWBTVZCO-OAHLLOKOSA-N 0 3 380.514 0.890 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2Cc3ccc(OC)cc3C2)CC1 ZINC000656300234 1185366114 /nfs/dbraw/zinc/36/61/14/1185366114.db2.gz MOUMCLXYVCDNPT-INIZCTEOSA-N 0 3 388.512 0.927 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656304305 1185378213 /nfs/dbraw/zinc/37/82/13/1185378213.db2.gz VXOVYTJCIPTCII-ICUGJSFKSA-N 0 3 382.549 0.837 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)N(C)Cc1ccccc1 ZINC000656312123 1185389052 /nfs/dbraw/zinc/38/90/52/1185389052.db2.gz GZXKYVNOFCHPNR-AWEZNQCLSA-N 0 3 387.488 0.681 20 0 GCADHN CN(C)C(=O)COc1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1Cl ZINC000580857819 1185396712 /nfs/dbraw/zinc/39/67/12/1185396712.db2.gz DBMDARFNLYDCSL-UHFFFAOYSA-N 0 3 396.875 0.956 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656314797 1185397558 /nfs/dbraw/zinc/39/75/58/1185397558.db2.gz DBDUNTMRXAZNDH-UPJWGTAASA-N 0 3 390.406 0.399 20 0 GCADHN CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000580904546 1185411697 /nfs/dbraw/zinc/41/16/97/1185411697.db2.gz WHMAYPKJGFLCLP-IAGOWNOFSA-N 0 3 387.484 0.873 20 0 GCADHN O=C(NC1CCN(c2cccnn2)CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656324463 1185418820 /nfs/dbraw/zinc/41/88/20/1185418820.db2.gz USSJICANBOIDRT-IRXDYDNUSA-N 0 3 386.500 0.695 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656332499 1185429739 /nfs/dbraw/zinc/42/97/39/1185429739.db2.gz XNUIANBQYQQYNJ-SJORKVTESA-N 0 3 394.516 0.263 20 0 GCADHN CC(C)OCCN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656353316 1185447338 /nfs/dbraw/zinc/44/73/38/1185447338.db2.gz AFDIUXFAIGMSKO-MSOLQXFVSA-N 0 3 380.533 0.689 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N(CCO)CCN2CCOCC2)CN1Cc1ccccc1 ZINC000123351035 1185447477 /nfs/dbraw/zinc/44/74/77/1185447477.db2.gz CHWKSOYWQBPZDR-ICSRJNTNSA-N 0 3 390.528 0.986 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)CCN2C1=O ZINC000580964298 1185451887 /nfs/dbraw/zinc/45/18/87/1185451887.db2.gz WKDUWCBRYIFWMK-MWQQHZPXSA-N 0 3 388.443 0.348 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656357285 1185453085 /nfs/dbraw/zinc/45/30/85/1185453085.db2.gz YPJBSKQOSITGKY-ROUUACIJSA-N 0 3 394.560 0.936 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCN1CC(C)(C)O ZINC000656355729 1185454531 /nfs/dbraw/zinc/45/45/31/1185454531.db2.gz NLAXBGAVWUCLSV-IXDOHACOSA-N 0 3 380.533 0.423 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000656356179 1185454603 /nfs/dbraw/zinc/45/46/03/1185454603.db2.gz RKZGEDXQMJRABG-MOPGFXCFSA-N 0 3 385.512 0.859 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356456 1185457915 /nfs/dbraw/zinc/45/79/15/1185457915.db2.gz DMTIKFPNOMEVQD-NEWSRXKRSA-N 0 3 392.544 0.831 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCOC2(CCOCC2)CC1 ZINC000656356362 1185458359 /nfs/dbraw/zinc/45/83/59/1185458359.db2.gz SNROCSFUARYYJQ-SJORKVTESA-N 0 3 379.501 0.918 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656358553 1185459881 /nfs/dbraw/zinc/45/98/81/1185459881.db2.gz RXQDXCRNBZHTOO-SJORKVTESA-N 0 3 380.533 0.689 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)C[C@H]2CO)cn1 ZINC000656358713 1185460108 /nfs/dbraw/zinc/46/01/08/1185460108.db2.gz UBYNSKMYFMXJAU-XLAORIBOSA-N 0 3 389.500 0.088 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000656358991 1185461445 /nfs/dbraw/zinc/46/14/45/1185461445.db2.gz NWOPFNKCDHIAKG-GVDBMIGSSA-N 0 3 376.501 0.733 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C[C@@H]1O ZINC000581039328 1185475664 /nfs/dbraw/zinc/47/56/64/1185475664.db2.gz BWUQDRGOEZRXFW-NJAFHUGGSA-N 0 3 375.469 0.437 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1)N1CCCC1 ZINC000581046968 1185478888 /nfs/dbraw/zinc/47/88/88/1185478888.db2.gz PDOMUONWGBPBRE-ZDUSSCGKSA-N 0 3 388.424 0.115 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@@H]1CNCCO1 ZINC000581067407 1185482358 /nfs/dbraw/zinc/48/23/58/1185482358.db2.gz JZIXRZHHLAKWLI-HNNXBMFYSA-N 0 3 381.498 0.888 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@H]1CNCCO1 ZINC000581067408 1185482724 /nfs/dbraw/zinc/48/27/24/1185482724.db2.gz JZIXRZHHLAKWLI-OAHLLOKOSA-N 0 3 381.498 0.888 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c2ccccc2O1 ZINC000276019061 1185484053 /nfs/dbraw/zinc/48/40/53/1185484053.db2.gz HRTCYPKWWOKZBO-GUYCJALGSA-N 0 3 386.452 0.293 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)cc1S(N)(=O)=O ZINC000581082739 1185489132 /nfs/dbraw/zinc/48/91/32/1185489132.db2.gz MXQSEUOTXGHSFU-CQSZACIVSA-N 0 3 396.513 0.818 20 0 GCADHN CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000581090752 1185493605 /nfs/dbraw/zinc/49/36/05/1185493605.db2.gz USCRDVDRMPRGAG-HZPDHXFCSA-N 0 3 376.505 1.062 20 0 GCADHN CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000581090752 1185493608 /nfs/dbraw/zinc/49/36/08/1185493608.db2.gz USCRDVDRMPRGAG-HZPDHXFCSA-N 0 3 376.505 1.062 20 0 GCADHN CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000581090750 1185493866 /nfs/dbraw/zinc/49/38/66/1185493866.db2.gz USCRDVDRMPRGAG-HOTGVXAUSA-N 0 3 376.505 1.062 20 0 GCADHN CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000581090750 1185493871 /nfs/dbraw/zinc/49/38/71/1185493871.db2.gz USCRDVDRMPRGAG-HOTGVXAUSA-N 0 3 376.505 1.062 20 0 GCADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000581093935 1185495174 /nfs/dbraw/zinc/49/51/74/1185495174.db2.gz LWJDTDVRVNUKRW-IXDOHACOSA-N 0 3 390.532 0.884 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000510365875 1185497071 /nfs/dbraw/zinc/49/70/71/1185497071.db2.gz ZXHDSPGVKHQHMB-CQSZACIVSA-N 0 3 396.513 0.724 20 0 GCADHN CCc1ccc(CCNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000419399307 1185502876 /nfs/dbraw/zinc/50/28/76/1185502876.db2.gz YRFLCWZSICHVSN-SFHVURJKSA-N 0 3 384.484 0.822 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2)nn1 ZINC000581120583 1185505228 /nfs/dbraw/zinc/50/52/28/1185505228.db2.gz FVCNGEBLNZNITM-SJORKVTESA-N 0 3 383.456 0.889 20 0 GCADHN COC(=O)COc1cccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000276038031 1185513037 /nfs/dbraw/zinc/51/30/37/1185513037.db2.gz JBHLTVUHTOZFER-ZDUSSCGKSA-N 0 3 375.425 0.944 20 0 GCADHN C[C@H](O)CN(C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@@H](C)CO ZINC000276045100 1185516163 /nfs/dbraw/zinc/51/61/63/1185516163.db2.gz NZBPDVNFCOGXFZ-OALUTQOASA-N 0 3 392.544 0.968 20 0 GCADHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O ZINC000581199861 1185528916 /nfs/dbraw/zinc/52/89/16/1185528916.db2.gz KHMYOBMILXJCOK-AUUYWEPGSA-N 0 3 379.457 0.710 20 0 GCADHN CCc1nncn1CCNC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000581241394 1185551144 /nfs/dbraw/zinc/55/11/44/1185551144.db2.gz QVVLAXBQVUFNIC-KRWDZBQOSA-N 0 3 380.452 0.926 20 0 GCADHN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(Cn2ccnn2)CC1 ZINC000156082067 1185553735 /nfs/dbraw/zinc/55/37/35/1185553735.db2.gz AYMNNYIWQWXYFR-INIZCTEOSA-N 0 3 384.488 0.517 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000581299704 1185574574 /nfs/dbraw/zinc/57/45/74/1185574574.db2.gz XVZIWTUFZJSVDS-ROUUACIJSA-N 0 3 395.548 0.197 20 0 GCADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000276106161 1185576093 /nfs/dbraw/zinc/57/60/93/1185576093.db2.gz ZFEPRXHJGAIVNW-UHFFFAOYSA-N 0 3 390.484 0.816 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCc3nnn(C)c3C2)c1 ZINC000933159552 1185593806 /nfs/dbraw/zinc/59/38/06/1185593806.db2.gz YJUVVQDBFKIOCL-KRWDZBQOSA-N 0 3 398.511 0.687 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H](CO)C(C)(C)C)cc21 ZINC000276136454 1185593918 /nfs/dbraw/zinc/59/39/18/1185593918.db2.gz IVIREPQWAHWAIM-HNNXBMFYSA-N 0 3 392.456 0.618 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCOCC2)cc1 ZINC000581358804 1185613171 /nfs/dbraw/zinc/61/31/71/1185613171.db2.gz DDEBFEXGVSILDR-UHFFFAOYSA-N 0 3 397.541 0.908 20 0 GCADHN COc1nccc(CNCC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104346498 1185620158 /nfs/dbraw/zinc/62/01/58/1185620158.db2.gz DOJMTXWBGSEKDS-YFHUEUNASA-N 0 3 391.516 0.779 20 0 GCADHN CCNC(=O)COc1ccc(CNCC(C)(C)NS(C)(=O)=O)cc1OC ZINC000068990162 1185621296 /nfs/dbraw/zinc/62/12/96/1185621296.db2.gz JHWSDYOFDFSROV-UHFFFAOYSA-N 0 3 387.502 0.628 20 0 GCADHN COC(=O)COCCNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000600401401 1185626310 /nfs/dbraw/zinc/62/63/10/1185626310.db2.gz PIIIZWFWNQOXIH-UHFFFAOYSA-N 0 3 387.440 0.483 20 0 GCADHN COc1ccc(OC(C)C)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000581381331 1185627970 /nfs/dbraw/zinc/62/79/70/1185627970.db2.gz XTARFZPVOSQTPI-JSGCOSHPSA-N 0 3 390.440 0.191 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000581385664 1185630778 /nfs/dbraw/zinc/63/07/78/1185630778.db2.gz JEWDDQLRJJLGHL-RHSMWYFYSA-N 0 3 399.538 0.474 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NCCN1CCc2ccccc21 ZINC000430597462 1185674959 /nfs/dbraw/zinc/67/49/59/1185674959.db2.gz AIHHLIAVIQHYFB-LJQANCHMSA-N 0 3 399.539 0.309 20 0 GCADHN O=C(NCc1ccc(N2CCOCC2)nc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000581443362 1185694809 /nfs/dbraw/zinc/69/48/09/1185694809.db2.gz WVDWWGLDYULJGT-KRWDZBQOSA-N 0 3 387.484 0.231 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C[C@@H]1N1CCCC1 ZINC000276248818 1185708093 /nfs/dbraw/zinc/70/80/93/1185708093.db2.gz PJPYMWRAALHZSQ-DLBZAZTESA-N 0 3 389.525 0.670 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000548176750 1185709136 /nfs/dbraw/zinc/70/91/36/1185709136.db2.gz SYKGMRSJNQWPEF-INIZCTEOSA-N 0 3 390.488 0.692 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000684271989 1185711526 /nfs/dbraw/zinc/71/15/26/1185711526.db2.gz YKZXCYAHLLRGGF-TZMCWYRMSA-N 0 3 376.423 0.811 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccn(C3CCCC3)n2)CC1=O ZINC000581504616 1185731396 /nfs/dbraw/zinc/73/13/96/1185731396.db2.gz ZSNIAAWXRVBQEZ-OAHLLOKOSA-N 0 3 377.489 0.907 20 0 GCADHN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)o1 ZINC000581538578 1185748598 /nfs/dbraw/zinc/74/85/98/1185748598.db2.gz VYQCUMPZUMZSDR-INWMFGNUSA-N 0 3 386.456 0.933 20 0 GCADHN CC(C)n1nccc1NC(=O)[C@H](C)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430611934 1185758346 /nfs/dbraw/zinc/75/83/46/1185758346.db2.gz QDFVJIOMOQEZON-JKSUJKDBSA-N 0 3 376.505 0.935 20 0 GCADHN CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCCCN2CCN(C)CC2)C1(C)C ZINC000581563006 1185762469 /nfs/dbraw/zinc/76/24/69/1185762469.db2.gz PLOQOPHUUJJAMM-DLBZAZTESA-N 0 3 382.549 0.792 20 0 GCADHN COCCN1CCC(Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000276365826 1185770429 /nfs/dbraw/zinc/77/04/29/1185770429.db2.gz WIJYXTZSSVZCOV-UHFFFAOYSA-N 0 3 396.513 0.475 20 0 GCADHN CC1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)CC1 ZINC001022017183 1185770499 /nfs/dbraw/zinc/77/04/99/1185770499.db2.gz CSYFFWNUGVRFKV-FCGDIQPGSA-N 0 3 392.544 0.497 20 0 GCADHN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430614092 1185775779 /nfs/dbraw/zinc/77/57/79/1185775779.db2.gz YCSWVXGXUWDFLD-GJZGRUSLSA-N 0 3 388.468 0.886 20 0 GCADHN COc1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c(OC)c1 ZINC000581615130 1185787593 /nfs/dbraw/zinc/78/75/93/1185787593.db2.gz OSJJWGQQCJCCLV-KRWDZBQOSA-N 0 3 393.484 0.889 20 0 GCADHN CN(CCNCC(=O)NC(=O)NC1CCCC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001266779957 1185808922 /nfs/dbraw/zinc/80/89/22/1185808922.db2.gz XBICRTNGFDDKFK-NMNMXBMNSA-N 0 3 378.473 0.226 20 0 GCADHN CC[C@H]1CCCCN1C(=O)CNCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001266785531 1185820710 /nfs/dbraw/zinc/82/07/10/1185820710.db2.gz SNBLSKUNHOEXIB-LSTDLKDCSA-N 0 3 381.517 0.877 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)c3ncnn3C)cc2)CC1 ZINC000276510700 1185850885 /nfs/dbraw/zinc/85/08/85/1185850885.db2.gz TVFAURHEIPEFKR-HNNXBMFYSA-N 0 3 399.499 0.769 20 0 GCADHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430641134 1185852091 /nfs/dbraw/zinc/85/20/91/1185852091.db2.gz SJECBNUCJOZRJN-HZPDHXFCSA-N 0 3 376.505 0.508 20 0 GCADHN COc1ccccc1CCNC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430642206 1185854631 /nfs/dbraw/zinc/85/46/31/1185854631.db2.gz ODQPKYJHWOPUCC-SFHVURJKSA-N 0 3 388.512 0.498 20 0 GCADHN CC[C@@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CCO1 ZINC000510453664 1185858431 /nfs/dbraw/zinc/85/84/31/1185858431.db2.gz BAIBSMWBHOJTKC-HQSKLWIPSA-N 0 3 395.548 0.480 20 0 GCADHN COCc1ccccc1CNC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430645743 1185859769 /nfs/dbraw/zinc/85/97/69/1185859769.db2.gz OFSZONJYAYVFSO-SFHVURJKSA-N 0 3 388.512 0.593 20 0 GCADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000933391780 1185870566 /nfs/dbraw/zinc/87/05/66/1185870566.db2.gz GSTYRRGAWRSSBL-JKSUJKDBSA-N 0 3 385.472 0.301 20 0 GCADHN O=C(CN[C@]12C[C@H]1COC21CCC1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000933393831 1185872295 /nfs/dbraw/zinc/87/22/95/1185872295.db2.gz KZEXJKHRZNUHME-WFXMFSGNSA-N 0 3 398.525 0.482 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCc2c(C)nn(C)c2C)CC1 ZINC000581740932 1185873821 /nfs/dbraw/zinc/87/38/21/1185873821.db2.gz UZPBQHDTMUIWJF-UHFFFAOYSA-N 0 3 379.505 0.659 20 0 GCADHN CC(C)N1CCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000933413588 1185882162 /nfs/dbraw/zinc/88/21/62/1185882162.db2.gz YPFPUIAVBHJGSW-MRXNPFEDSA-N 0 3 383.518 0.562 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCc2sc(CN)nc2C1 ZINC000891481803 1185887447 /nfs/dbraw/zinc/88/74/47/1185887447.db2.gz HFACGNCUOOPMIY-CQSZACIVSA-N 0 3 394.545 0.612 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N3CCOC4(CCCC4)C3)C2)CC1 ZINC000581772016 1185890311 /nfs/dbraw/zinc/89/03/11/1185890311.db2.gz VYQSUFGOESYZNU-SFHVURJKSA-N 0 3 392.544 0.785 20 0 GCADHN C[C@](CO)(Cc1ccc(F)cc1)NCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000933439061 1185893614 /nfs/dbraw/zinc/89/36/14/1185893614.db2.gz LWBLYDMHXZJDRW-HXUWFJFHSA-N 0 3 377.460 0.790 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)NC[C@H]2NCCc3ccccc32)[C@H](C)C1 ZINC000581777432 1185897092 /nfs/dbraw/zinc/89/70/92/1185897092.db2.gz IIQLHFYYZKYZIW-RHSMWYFYSA-N 0 3 380.514 0.939 20 0 GCADHN CN1CCN(C)CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000891505045 1185897755 /nfs/dbraw/zinc/89/77/55/1185897755.db2.gz FDPFSICBQDABFC-FQEVSTJZSA-N 0 3 389.544 0.776 20 0 GCADHN COc1ccc(C[C@@](C)(CO)NCC(=O)N2CCN(C(C)=O)CC2)cc1OC ZINC000933447580 1185897893 /nfs/dbraw/zinc/89/78/93/1185897893.db2.gz ZTTCMCOTVHJANG-FQEVSTJZSA-N 0 3 393.484 0.278 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CO)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000293004938 1185904759 /nfs/dbraw/zinc/90/47/59/1185904759.db2.gz DEUSKRKTFCNYBC-KKUMJFAQSA-N 0 3 383.514 0.994 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(CC)CC3)cc2)CC1 ZINC000127314899 1185905346 /nfs/dbraw/zinc/90/53/46/1185905346.db2.gz PTLBWKQONMYBDC-UHFFFAOYSA-N 0 3 387.528 0.927 20 0 GCADHN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000891538013 1185909526 /nfs/dbraw/zinc/90/95/26/1185909526.db2.gz ZZFFPWJXUXDLHT-FGTMMUONSA-N 0 3 392.500 0.908 20 0 GCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@H]1CS(N)(=O)=O ZINC000891543704 1185912479 /nfs/dbraw/zinc/91/24/79/1185912479.db2.gz SHTHIMSJDQNVIN-HYVNUMGLSA-N 0 3 380.514 0.827 20 0 GCADHN CN(Cc1cc(=O)n(C)c(=O)n1C)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933504869 1185914459 /nfs/dbraw/zinc/91/44/59/1185914459.db2.gz OBHCPFNSEDCTSC-UHFFFAOYSA-N 0 3 396.488 0.590 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc([S@](C)=O)cc2)CC1 ZINC000178180746 1185924448 /nfs/dbraw/zinc/92/44/48/1185924448.db2.gz WQXGPNYPWSJCHT-SOKVYYICSA-N 0 3 392.525 0.872 20 0 GCADHN CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000891579886 1185926621 /nfs/dbraw/zinc/92/66/21/1185926621.db2.gz NTLBECRVNZKQCG-SFHVURJKSA-N 0 3 387.484 0.081 20 0 GCADHN COC1CCN(CCNC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000684455460 1185953599 /nfs/dbraw/zinc/95/35/99/1185953599.db2.gz XITKHIPUVUIGSJ-UHFFFAOYSA-N 0 3 383.514 0.706 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)CCN2C1=O ZINC000581895627 1185957243 /nfs/dbraw/zinc/95/72/43/1185957243.db2.gz KUAJLCMECROWFE-FGTMMUONSA-N 0 3 384.480 0.238 20 0 GCADHN Cc1cc(NC(=O)CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n(C)n1 ZINC001691105229 1185967584 /nfs/dbraw/zinc/96/75/84/1185967584.db2.gz WXVFQUDJKYHPOW-JYDQDUAZSA-N 0 3 387.484 0.575 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C[C@H](C)O1 ZINC000581932909 1185994452 /nfs/dbraw/zinc/99/44/52/1185994452.db2.gz UZGHNFIZGCKWTI-UXLLHSPISA-N 0 3 393.536 0.971 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C[C@H](C)O1 ZINC000581932907 1185994560 /nfs/dbraw/zinc/99/45/60/1185994560.db2.gz UZGHNFIZGCKWTI-HLLBOEOZSA-N 0 3 393.536 0.971 20 0 GCADHN COC[C@@H](O)CNC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000276732259 1186000877 /nfs/dbraw/zinc/00/08/77/1186000877.db2.gz BURXXHNDCMFHKB-SFHVURJKSA-N 0 3 392.500 0.587 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c2ccccc12 ZINC000581955364 1186005788 /nfs/dbraw/zinc/00/57/88/1186005788.db2.gz DKWLIJZCXWTBQS-YJBOKZPZSA-N 0 3 380.448 0.535 20 0 GCADHN CCN1C[C@@H](C)N(C(=O)COCC(=O)N2[C@H](C)CN(CC)C[C@@H]2C)[C@H](C)C1 ZINC000581967562 1186013017 /nfs/dbraw/zinc/01/30/17/1186013017.db2.gz XGHISZHKPBKCJQ-TVFCKZIOSA-N 0 3 382.549 0.885 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)NCCN2CCC(OC)CC2)cc1 ZINC000610572065 1186013032 /nfs/dbraw/zinc/01/30/32/1186013032.db2.gz RUDZKIWCEREXRR-UHFFFAOYSA-N 0 3 392.456 0.822 20 0 GCADHN COCCN1CCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)C[C@H]1C ZINC000430710004 1186021147 /nfs/dbraw/zinc/02/11/47/1186021147.db2.gz PWPQLSPOAGPDLX-XLIONFOSSA-N 0 3 385.512 0.980 20 0 GCADHN COc1ccc([C@@H](CNC(=O)COC2CNC2)N2CCOCC2)cc1OC ZINC000430838548 1186037508 /nfs/dbraw/zinc/03/75/08/1186037508.db2.gz LCNZGQNLALHIGV-MRXNPFEDSA-N 0 3 379.457 0.182 20 0 GCADHN CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)C1(CO)CCOCC1 ZINC000276771876 1186039408 /nfs/dbraw/zinc/03/94/08/1186039408.db2.gz LGSHLLQWFRHREK-UHFFFAOYSA-N 0 3 393.440 0.969 20 0 GCADHN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1CO ZINC000276775701 1186041095 /nfs/dbraw/zinc/04/10/95/1186041095.db2.gz MCIGQAPGQKFQHK-CVEARBPZSA-N 0 3 381.498 0.080 20 0 GCADHN NC(=O)C1CCN(c2ncccc2CNC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000430882966 1186048042 /nfs/dbraw/zinc/04/80/42/1186048042.db2.gz NWADLNOHEVGOII-GOSISDBHSA-N 0 3 381.480 0.970 20 0 GCADHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000430910528 1186050931 /nfs/dbraw/zinc/05/09/31/1186050931.db2.gz VGPQEXUSQJUTAF-IBGZPJMESA-N 0 3 391.479 0.877 20 0 GCADHN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000510690489 1186054782 /nfs/dbraw/zinc/05/47/82/1186054782.db2.gz IUHGUDZKLHOWTN-HUUCEWRRSA-N 0 3 384.546 0.460 20 0 GCADHN CN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C1(CO)CCOCC1 ZINC000276785917 1186057213 /nfs/dbraw/zinc/05/72/13/1186057213.db2.gz NVWSVAXPSYMPAI-UHFFFAOYSA-N 0 3 375.469 0.668 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)N[C@H]2CCN(CCOC)C2)C1=O ZINC000276799411 1186070493 /nfs/dbraw/zinc/07/04/93/1186070493.db2.gz DRCOSMUSUSQNSU-LSDHHAIUSA-N 0 3 378.477 0.418 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)N[C@@H]2CCN(CCOC)C2)C1=O ZINC000276799407 1186070609 /nfs/dbraw/zinc/07/06/09/1186070609.db2.gz DRCOSMUSUSQNSU-HUUCEWRRSA-N 0 3 378.477 0.418 20 0 GCADHN Cc1c(C(=O)N2CC[C@@](C)(C(N)=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000684529994 1186075795 /nfs/dbraw/zinc/07/57/95/1186075795.db2.gz LIOWWJZTCSPTFR-HXUWFJFHSA-N 0 3 382.468 0.901 20 0 GCADHN O=C(NCc1cccnc1N1CCOCC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000891847361 1186088314 /nfs/dbraw/zinc/08/83/14/1186088314.db2.gz XGVIUSDSBKOKOC-ROUUACIJSA-N 0 3 389.500 0.659 20 0 GCADHN CO[C@H](C)c1noc(CN2CCCN(C(=O)CNC[C@H]3CCCO3)CC2)n1 ZINC000431001812 1186098108 /nfs/dbraw/zinc/09/81/08/1186098108.db2.gz LHUPNASMKLPDSV-HUUCEWRRSA-N 0 3 381.477 0.580 20 0 GCADHN COc1ccc(CNC(=O)CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OC ZINC000510754420 1186098656 /nfs/dbraw/zinc/09/86/56/1186098656.db2.gz RZMZCUYWVSIRER-LSDHHAIUSA-N 0 3 399.513 0.770 20 0 GCADHN COc1ccc(CNC(=O)CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1OC ZINC000510754419 1186099004 /nfs/dbraw/zinc/09/90/04/1186099004.db2.gz RZMZCUYWVSIRER-HUUCEWRRSA-N 0 3 399.513 0.770 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000510750570 1186099866 /nfs/dbraw/zinc/09/98/66/1186099866.db2.gz OIZNJOBFLHNXAN-DLBZAZTESA-N 0 3 398.529 0.374 20 0 GCADHN Cc1nc([C@H]2CN(C(=O)[C@@H](N)Cc3cn(Cc4ccccc4)cn3)CCO2)n[nH]1 ZINC000431017017 1186102014 /nfs/dbraw/zinc/10/20/14/1186102014.db2.gz YXXUQIGLRCJKIQ-ZWKOTPCHSA-N 0 3 395.467 0.828 20 0 GCADHN COCc1cccc(CNC(=O)CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000510766527 1186103942 /nfs/dbraw/zinc/10/39/42/1186103942.db2.gz QLEIDYABHKHEES-IRXDYDNUSA-N 0 3 383.514 0.899 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)NCCOc1ccc(F)cc1 ZINC000510765760 1186104531 /nfs/dbraw/zinc/10/45/31/1186104531.db2.gz PCHFZRJDWNZZLF-HOTGVXAUSA-N 0 3 387.477 0.771 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510776205 1186109465 /nfs/dbraw/zinc/10/94/65/1186109465.db2.gz HECXIRLWWMRNHO-KKUMJFAQSA-N 0 3 389.518 0.381 20 0 GCADHN C[C@@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@@H](c1ccccc1)N(C)C ZINC000548432576 1186110312 /nfs/dbraw/zinc/11/03/12/1186110312.db2.gz OTUTYATYHLIOSA-DYVFJYSZSA-N 0 3 397.479 0.997 20 0 GCADHN COCCN1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1=O ZINC000092029313 1186121283 /nfs/dbraw/zinc/12/12/83/1186121283.db2.gz IRHCUCXPJSUXEH-UHFFFAOYSA-N 0 3 388.512 0.906 20 0 GCADHN Cn1cc([C@@]2(CNC(=O)C(=O)NC[C@H]3CCN3C3CCCC3)CCCO2)cn1 ZINC000933909204 1186148831 /nfs/dbraw/zinc/14/88/31/1186148831.db2.gz MDADAGKMACOVEX-XLIONFOSSA-N 0 3 389.500 0.675 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000610727638 1186151062 /nfs/dbraw/zinc/15/10/62/1186151062.db2.gz LJDMJJUESJWPAW-SJORKVTESA-N 0 3 386.562 0.427 20 0 GCADHN Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1S(N)(=O)=O ZINC000610727458 1186151151 /nfs/dbraw/zinc/15/11/51/1186151151.db2.gz JKMXKPMYAYDKBQ-QGZVFWFLSA-N 0 3 394.541 0.883 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000610727637 1186151332 /nfs/dbraw/zinc/15/13/32/1186151332.db2.gz LJDMJJUESJWPAW-IRXDYDNUSA-N 0 3 386.562 0.427 20 0 GCADHN COc1ccc(F)cc1NC(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000510905698 1186153391 /nfs/dbraw/zinc/15/33/91/1186153391.db2.gz SALBJMRGMPEMQX-UHFFFAOYSA-N 0 3 396.463 0.279 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCc3nnnn3-c3ccccc3)C2)CC1 ZINC000610732179 1186154403 /nfs/dbraw/zinc/15/44/03/1186154403.db2.gz DWOSOLUIBIGUBA-GOSISDBHSA-N 0 3 398.515 0.972 20 0 GCADHN CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000564471187 1186177681 /nfs/dbraw/zinc/17/76/81/1186177681.db2.gz NSSMSBWQUJADNQ-LSDHHAIUSA-N 0 3 395.485 0.614 20 0 GCADHN O=C(CN1C[C@@H]2COC[C@@H]2C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000634780945 1186182364 /nfs/dbraw/zinc/18/23/64/1186182364.db2.gz DBSWEBBEINFDMB-HDICACEKSA-N 0 3 393.509 0.239 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H](CNCC(=O)N2CCOCC2)C1 ZINC001691364111 1186193833 /nfs/dbraw/zinc/19/38/33/1186193833.db2.gz VJZYQLXVMYGEJB-XWEXYQFDSA-N 0 3 391.512 0.485 20 0 GCADHN CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001691364241 1186194441 /nfs/dbraw/zinc/19/44/41/1186194441.db2.gz YKHTWJKMEMFVLM-QXSJWSMHSA-N 0 3 382.505 0.152 20 0 GCADHN COCn1nccc1S(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000684585369 1186199191 /nfs/dbraw/zinc/19/91/91/1186199191.db2.gz SOTHPVPPVHURCI-UHFFFAOYSA-N 0 3 385.534 0.666 20 0 GCADHN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CN2CCN1CCC2 ZINC000535716991 1186204906 /nfs/dbraw/zinc/20/49/06/1186204906.db2.gz GTCLPQIYPNFWEI-KRWDZBQOSA-N 0 3 378.498 0.800 20 0 GCADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001707906620 1186208210 /nfs/dbraw/zinc/20/82/10/1186208210.db2.gz FFIOUKMRYWTVSO-HHHXNRCGSA-N 0 3 394.545 0.242 20 0 GCADHN COC(=O)[C@@H]1CN(C[C@@H](O)C2(O)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934046542 1186225779 /nfs/dbraw/zinc/22/57/79/1186225779.db2.gz XSWUGRZVNHBDOC-UONOGXRCSA-N 0 3 384.473 0.604 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000277027926 1186229882 /nfs/dbraw/zinc/22/98/82/1186229882.db2.gz NTLNUAFVSSMLGU-INIZCTEOSA-N 0 3 383.518 0.393 20 0 GCADHN Cc1noc(Cn2cc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)ccc2=O)n1 ZINC000468863836 1186234263 /nfs/dbraw/zinc/23/42/63/1186234263.db2.gz HQCSJAHYLIKPAS-INIZCTEOSA-N 0 3 389.456 0.771 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC2(C(N)=O)C3CC4CC(C3)CC2C4)CC1=O ZINC000458282154 1186253935 /nfs/dbraw/zinc/25/39/35/1186253935.db2.gz LAHWFUSRXFZXHN-IJCKRYMHSA-N 0 3 376.501 0.193 20 0 GCADHN Cc1nnc(N2CCN(c3ncccn3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001707911091 1186265526 /nfs/dbraw/zinc/26/55/26/1186265526.db2.gz CQRJXRGYCRNJEK-UHFFFAOYSA-N 0 3 399.547 0.729 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CC[C@@H](C2CCOCC2)C1 ZINC000535876118 1186268671 /nfs/dbraw/zinc/26/86/71/1186268671.db2.gz LMLITOUYRRXLMF-LJQANCHMSA-N 0 3 382.549 0.835 20 0 GCADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC(=O)NCC1CC1 ZINC001707912942 1186269781 /nfs/dbraw/zinc/26/97/81/1186269781.db2.gz LPCJTZSQWFSXSK-CQSZACIVSA-N 0 3 376.505 0.802 20 0 GCADHN CCN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000785101583 1186289376 /nfs/dbraw/zinc/28/93/76/1186289376.db2.gz DZXIHMRCHKDARQ-UHFFFAOYSA-N 0 3 385.486 0.588 20 0 GCADHN CCn1c(N)c(C(=O)CN2C[C@@H](N3CCCC3)[C@@H](SC)C2)c(=O)[nH]c1=O ZINC000548538984 1186306764 /nfs/dbraw/zinc/30/67/64/1186306764.db2.gz HJMZNKSDQRTQSU-YPMHNXCESA-N 0 3 381.502 0.245 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccnn2[C@@H]2CCOC2)CC1 ZINC000934127504 1186307304 /nfs/dbraw/zinc/30/73/04/1186307304.db2.gz XRUJZENOIFNMGG-CABCVRRESA-N 0 3 376.461 0.615 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccnn1[C@@H]1CCOC1 ZINC000934139249 1186310894 /nfs/dbraw/zinc/31/08/94/1186310894.db2.gz XGWNMCCFUYAFNZ-CABCVRRESA-N 0 3 378.477 0.909 20 0 GCADHN CN1CCN(CCCNC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000375651029 1186324712 /nfs/dbraw/zinc/32/47/12/1186324712.db2.gz LNDOSQPZTJTHSU-MRXNPFEDSA-N 0 3 384.521 0.766 20 0 GCADHN COc1cc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3C)ccc1OCC(N)=O ZINC000892068421 1186327155 /nfs/dbraw/zinc/32/71/55/1186327155.db2.gz NINZABIGYROVKH-LSDHHAIUSA-N 0 3 376.457 0.937 20 0 GCADHN Cc1nnc2n1C[C@@H](NC(=O)N1CC[C@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000611563725 1186327746 /nfs/dbraw/zinc/32/77/46/1186327746.db2.gz QAEREWYDEAXVOV-IRXDYDNUSA-N 0 3 375.521 0.711 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)C[C@H]1N(C)C ZINC000277332084 1186335795 /nfs/dbraw/zinc/33/57/95/1186335795.db2.gz WOSHLBNRSNFQLK-KBRIMQKVSA-N 0 3 379.530 0.699 20 0 GCADHN COCC[NH2+]C1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000653180763 1186335831 /nfs/dbraw/zinc/33/58/31/1186335831.db2.gz VWOGETCTWKDOMT-LBPRGKRZSA-N 0 3 388.490 0.185 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000548605609 1186338507 /nfs/dbraw/zinc/33/85/07/1186338507.db2.gz ZVBCQVBZUNFJQB-INDMIFKZSA-N 0 3 398.548 0.474 20 0 GCADHN O=C(Cn1nnc2ccccc2c1=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000119769585 1186353177 /nfs/dbraw/zinc/35/31/77/1186353177.db2.gz OIKQREGRJILHTI-QGZVFWFLSA-N 0 3 393.447 0.327 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000472106396 1186354586 /nfs/dbraw/zinc/35/45/86/1186354586.db2.gz QNSITWMBNPHREF-OAHLLOKOSA-N 0 3 387.484 0.494 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000892120907 1186355350 /nfs/dbraw/zinc/35/53/50/1186355350.db2.gz NQPIOOXFPCAESQ-ZWKOTPCHSA-N 0 3 390.484 0.666 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H](c2ccncc2)C2CC2)CC1 ZINC000934221044 1186357909 /nfs/dbraw/zinc/35/79/09/1186357909.db2.gz IXOCTEAOHQXEBX-LJQANCHMSA-N 0 3 399.495 0.416 20 0 GCADHN NC(=O)[C@@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000277391250 1186357915 /nfs/dbraw/zinc/35/79/15/1186357915.db2.gz DPWZNCSSMCMGON-IRXDYDNUSA-N 0 3 376.457 0.173 20 0 GCADHN COc1cccc(C[C@H](NC(C)=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000472114150 1186359049 /nfs/dbraw/zinc/35/90/49/1186359049.db2.gz BCGVWCJSEYWOSY-JXFKEZNVSA-N 0 3 390.528 0.885 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCN2C(=O)NC[C@H]2C1 ZINC000277393423 1186359862 /nfs/dbraw/zinc/35/98/62/1186359862.db2.gz DVDFEYYUEFBKLB-ROUUACIJSA-N 0 3 387.484 0.697 20 0 GCADHN COCCN(C)CCNC(=O)[C@](C)(O)CN1c2ccccc2C(C)(C)C1=O ZINC000277446334 1186386593 /nfs/dbraw/zinc/38/65/93/1186386593.db2.gz FPXLTISBBNCKOL-HXUWFJFHSA-N 0 3 377.485 0.756 20 0 GCADHN NC(=O)c1c2c(sc1NC(=O)CN1CC[C@H]3[C@@H]1CCCN3CCO)CCC2 ZINC000934261406 1186388410 /nfs/dbraw/zinc/38/84/10/1186388410.db2.gz RPBMEWPQPMLSIL-KBPBESRZSA-N 0 3 392.525 0.805 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000582078570 1186400098 /nfs/dbraw/zinc/40/00/98/1186400098.db2.gz SBDPQQHHZWFJHS-LJQANCHMSA-N 0 3 395.525 0.545 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000582081069 1186401391 /nfs/dbraw/zinc/40/13/91/1186401391.db2.gz JHQWOUIPUMGBLN-GJZGRUSLSA-N 0 3 382.505 0.071 20 0 GCADHN Cc1ccc(S(=O)(=O)C2CCN(C(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000892183034 1186409982 /nfs/dbraw/zinc/40/99/82/1186409982.db2.gz AXSDYYBPNNBHHD-OAHLLOKOSA-N 0 3 381.498 0.931 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1 ZINC000152168862 1186411150 /nfs/dbraw/zinc/41/11/50/1186411150.db2.gz CPLJQTAUYRJICT-CVEARBPZSA-N 0 3 393.536 0.312 20 0 GCADHN C[C@@H](Sc1ncccc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C(=O)N1CCCC1 ZINC000582131570 1186427533 /nfs/dbraw/zinc/42/75/33/1186427533.db2.gz LFILFRRYQQFRTO-KBMXLJTQSA-N 0 3 392.525 0.932 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)C1 ZINC000582152500 1186443183 /nfs/dbraw/zinc/44/31/83/1186443183.db2.gz YNQYBYXVGVVKFZ-NSHDSACASA-N 0 3 398.410 0.826 20 0 GCADHN COC(=O)Cn1cc(CCN2CCC(NC(=O)c3ccoc3C)CC2)nn1 ZINC000158159370 1186453914 /nfs/dbraw/zinc/45/39/14/1186453914.db2.gz BSUVFCLUKMPVIT-UHFFFAOYSA-N 0 3 375.429 0.789 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CCN2C1=O ZINC000582193214 1186462808 /nfs/dbraw/zinc/46/28/08/1186462808.db2.gz XEGDMEFDSWFZAL-CVEARBPZSA-N 0 3 397.435 0.985 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NCCN(C)CCO)C[C@H](C)O1 ZINC000892221171 1186464406 /nfs/dbraw/zinc/46/44/06/1186464406.db2.gz PAJHRWGECOUMPL-IYBDPMFKSA-N 0 3 392.500 0.275 20 0 GCADHN O=C(C(=O)N1CCN(C(=O)c2ccsc2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000582227573 1186469329 /nfs/dbraw/zinc/46/93/29/1186469329.db2.gz XFDZQKCDGVJXQC-INIZCTEOSA-N 0 3 390.509 0.729 20 0 GCADHN CN1CCN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)[C@H](CN)C1 ZINC000582240228 1186472715 /nfs/dbraw/zinc/47/27/15/1186472715.db2.gz XARJNTRYFDRDFL-MRXNPFEDSA-N 0 3 389.481 0.019 20 0 GCADHN O=C(CN1CC[C@@H](c2nnc[nH]2)C1)NCC1(N2CCOCC2)CCCCC1 ZINC000582237547 1186472903 /nfs/dbraw/zinc/47/29/03/1186472903.db2.gz WNLDOKUDGZFHDM-MRXNPFEDSA-N 0 3 376.505 0.745 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)C1 ZINC000277523666 1186474648 /nfs/dbraw/zinc/47/46/48/1186474648.db2.gz TVKUCTVSQBHGEC-ZDUSSCGKSA-N 0 3 392.485 0.931 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000582256064 1186476454 /nfs/dbraw/zinc/47/64/54/1186476454.db2.gz ZFOJASLHJYALOC-CQSZACIVSA-N 0 3 378.439 0.930 20 0 GCADHN O=C(NCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)c1ccccc1F ZINC000892233380 1186479335 /nfs/dbraw/zinc/47/93/35/1186479335.db2.gz PZUQPSNGCYUURR-IRXDYDNUSA-N 0 3 378.448 0.796 20 0 GCADHN CCN1CCCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000158239919 1186480982 /nfs/dbraw/zinc/48/09/82/1186480982.db2.gz BOCXLFGVEXCIIE-GJZGRUSLSA-N 0 3 382.530 0.927 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C[C@H]1CCN(CCNC(=O)C(=O)Nc2cncc(OCC(F)(F)F)n2)C1 ZINC000657693879 1186724734 /nfs/dbraw/zinc/72/47/34/1186724734.db2.gz UNKDGEINBORTHI-JTQLQIEISA-N 0 3 375.351 0.814 20 0 GCADHN CCCNC(=O)C1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000582905260 1186727569 /nfs/dbraw/zinc/72/75/69/1186727569.db2.gz JSKXJDDPQPKMCP-GOSISDBHSA-N 0 3 386.496 0.836 20 0 GCADHN COCCN1C[C@@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC1=O ZINC000121189844 1186731903 /nfs/dbraw/zinc/73/19/03/1186731903.db2.gz BMKYKFBCHICCHX-IBGZPJMESA-N 0 3 388.512 0.545 20 0 GCADHN CCC(CC)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N1CCOCC1 ZINC000152620501 1186739278 /nfs/dbraw/zinc/73/92/78/1186739278.db2.gz LIONOTYJLNZBJN-MOPGFXCFSA-N 0 3 394.560 0.888 20 0 GCADHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582975636 1186740389 /nfs/dbraw/zinc/74/03/89/1186740389.db2.gz JGZZERICFDFYKX-ZYHUDNBSSA-N 0 3 380.832 0.366 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)CCN2C1=O ZINC000582974929 1186740568 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1186789591 /nfs/dbraw/zinc/78/95/91/1186789591.db2.gz BIFFFQFDDIGSAN-LBPRGKRZSA-N 0 3 398.485 0.415 20 0 GCADHN CCOC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000728551711 1186793240 /nfs/dbraw/zinc/79/32/40/1186793240.db2.gz PPMZEIZZXJQDIB-INIZCTEOSA-N 0 3 380.489 0.622 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000583219988 1186798747 /nfs/dbraw/zinc/79/87/47/1186798747.db2.gz CSSIVFGEVBXZIL-QKPAOTATSA-N 0 3 382.505 0.118 20 0 GCADHN CC(C)N(Cc1ccccn1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000548790476 1186800882 /nfs/dbraw/zinc/80/08/82/1186800882.db2.gz JOJGVWAJDCEQSP-UHFFFAOYSA-N 0 3 375.517 0.961 20 0 GCADHN COc1ccc([C@@H](CO)CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000458438993 1186801875 /nfs/dbraw/zinc/80/18/75/1186801875.db2.gz LSOAINZNIFZFDI-SJLPKXTDSA-N 0 3 378.517 0.954 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCN1CCOCC1)CC1CC1)C1=CCN(C)CC1 ZINC000611758559 1186809462 /nfs/dbraw/zinc/80/94/62/1186809462.db2.gz KRNFMOMFYFQMKC-MRXNPFEDSA-N 0 3 378.517 0.324 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1CCc2c[nH]nc2C1 ZINC000685109150 1186812698 /nfs/dbraw/zinc/81/26/98/1186812698.db2.gz OTQJFTOBKILEBS-SFHVURJKSA-N 0 3 397.479 0.702 20 0 GCADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000685110010 1186813353 /nfs/dbraw/zinc/81/33/53/1186813353.db2.gz RIYLVIIQBFOSKL-RTBURBONSA-N 0 3 389.496 0.623 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000583324727 1186825444 /nfs/dbraw/zinc/82/54/44/1186825444.db2.gz IRVMAHPUENWSRT-AYBZRNKSSA-N 0 3 376.501 0.492 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)CC1 ZINC000148607410 1186834729 /nfs/dbraw/zinc/83/47/29/1186834729.db2.gz JYQVXTGSGYRFLK-UHFFFAOYSA-N 0 3 376.457 0.554 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CCN2C1=O ZINC000583392440 1186843537 /nfs/dbraw/zinc/84/35/37/1186843537.db2.gz GQVHUYWBBIQRQJ-DJIMGWMZSA-N 0 3 388.443 0.448 20 0 GCADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)n(-c2ccc(F)cc2)n1 ZINC000583451721 1186857479 /nfs/dbraw/zinc/85/74/79/1186857479.db2.gz FENALEHCJMSMKC-HZPDHXFCSA-N 0 3 386.431 0.502 20 0 GCADHN COc1ccc(Nc2cc(N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)ncn2)c(OC)c1 ZINC000583451974 1186857634 /nfs/dbraw/zinc/85/76/34/1186857634.db2.gz OOVHZVIYSUXCEC-OCCSQVGLSA-N 0 3 384.440 0.986 20 0 GCADHN COCC[C@@H](Cc1ccco1)NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611769986 1186862556 /nfs/dbraw/zinc/86/25/56/1186862556.db2.gz BBNBLUYAWAIVDC-DLBZAZTESA-N 0 3 393.484 0.713 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(F)c2F)CC1 ZINC000127550724 1186867892 /nfs/dbraw/zinc/86/78/92/1186867892.db2.gz XJDWIJNZDGTIEX-CQSZACIVSA-N 0 3 380.395 0.668 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1 ZINC000278324801 1186889206 /nfs/dbraw/zinc/88/92/06/1186889206.db2.gz KSKYPYJVUJLKNS-WMZOPIPTSA-N 0 3 385.468 0.655 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1F ZINC000635066840 1186890724 /nfs/dbraw/zinc/89/07/24/1186890724.db2.gz FJQFKZOFWBSEPI-UHFFFAOYSA-N 0 3 382.436 0.551 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685167262 1186898746 /nfs/dbraw/zinc/89/87/46/1186898746.db2.gz CBGLEUVMBQTILC-GOEBONIOSA-N 0 3 392.504 0.076 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000148673660 1186899545 /nfs/dbraw/zinc/89/95/45/1186899545.db2.gz NAYJVOBLAUYDTN-UHFFFAOYSA-N 0 3 391.472 0.084 20 0 GCADHN O=C(NCc1cccc(-n2cncn2)c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000561865560 1186907301 /nfs/dbraw/zinc/90/73/01/1186907301.db2.gz VFEMOIGMIKSKKD-GOSISDBHSA-N 0 3 382.468 0.970 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000278361577 1186909943 /nfs/dbraw/zinc/90/99/43/1186909943.db2.gz FIJPUBDOZBXIDE-HNNXBMFYSA-N 0 3 385.468 0.896 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000278367416 1186914894 /nfs/dbraw/zinc/91/48/94/1186914894.db2.gz FZCCOJOOTZRWTC-AWEZNQCLSA-N 0 3 394.497 0.196 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000583700164 1186920862 /nfs/dbraw/zinc/92/08/62/1186920862.db2.gz MAXXSFVDLQIGMS-SFHVURJKSA-N 0 3 383.514 0.723 20 0 GCADHN CO[C@]1(C)C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1(C)C ZINC000685185377 1186921524 /nfs/dbraw/zinc/92/15/24/1186921524.db2.gz HRHLHYVATJYATK-STXHMFSFSA-N 0 3 394.516 0.071 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3cc(F)c(Cl)cc3F)CCN2C1=O ZINC000583705082 1186923772 /nfs/dbraw/zinc/92/37/72/1186923772.db2.gz CHDZVJYVVLAYQQ-ZANVPECISA-N 0 3 386.786 0.005 20 0 GCADHN CN(CCCOc1ccc(F)cc1)C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583704952 1186923859 /nfs/dbraw/zinc/92/38/59/1186923859.db2.gz WZTYRFVOBSVNDZ-WBVHZDCISA-N 0 3 378.448 0.297 20 0 GCADHN CS(=O)(=O)c1ccc([C@@H](O)CN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000728576179 1186934335 /nfs/dbraw/zinc/93/43/35/1186934335.db2.gz OAHUIVNJWCWHKG-SFHVURJKSA-N 0 3 395.525 0.364 20 0 GCADHN CCN(CC(=O)NCc1cccs1)C(=O)CN[C@H]1CCCC[C@H]1C(N)=O ZINC000130500747 1186940865 /nfs/dbraw/zinc/94/08/65/1186940865.db2.gz JFSZVYUBEZBYLP-CABCVRRESA-N 0 3 380.514 0.847 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccnn1C ZINC000611790455 1186946058 /nfs/dbraw/zinc/94/60/58/1186946058.db2.gz WDAOMVYCKVDOSO-IRXDYDNUSA-N 0 3 391.516 0.645 20 0 GCADHN CC(C)N1CCN(C2CCN(S(=O)(=O)N3CCOC(C)(C)C3)CC2)CC1 ZINC000329475010 1186947090 /nfs/dbraw/zinc/94/70/90/1186947090.db2.gz NPQCRQYZKVMYKU-UHFFFAOYSA-N 0 3 388.578 0.832 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000583869111 1186954162 /nfs/dbraw/zinc/95/41/62/1186954162.db2.gz XLQGRGLKNKAELG-HUUCEWRRSA-N 0 3 379.505 0.334 20 0 GCADHN NC(=O)NC(=O)CCNCc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000583866706 1186955341 /nfs/dbraw/zinc/95/53/41/1186955341.db2.gz DQXVQIFCUNVLON-CQSZACIVSA-N 0 3 378.429 0.035 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000562157879 1186955699 /nfs/dbraw/zinc/95/56/99/1186955699.db2.gz QXWLEMLEVNNBLG-IBGZPJMESA-N 0 3 394.560 0.674 20 0 GCADHN COc1cc(CN[C@@]2(CCO)CCOC2)ccc1OCC(=O)N1CCOCC1 ZINC000278530437 1186970089 /nfs/dbraw/zinc/97/00/89/1186970089.db2.gz UYCDYLSCUOJTLN-FQEVSTJZSA-N 0 3 394.468 0.564 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cc2c(cc1F)NC(=O)CC2 ZINC000536177273 1186972656 /nfs/dbraw/zinc/97/26/56/1186972656.db2.gz YVUQNKGBTUMLMG-UHFFFAOYSA-N 0 3 392.475 0.830 20 0 GCADHN COc1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1OC(F)F ZINC000584005944 1186978979 /nfs/dbraw/zinc/97/89/79/1186978979.db2.gz QENVZTBPDPXODY-VXGBXAGGSA-N 0 3 384.383 0.750 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCC(O)(CC)CC2)CC1 ZINC000685253539 1186980605 /nfs/dbraw/zinc/98/06/05/1186980605.db2.gz MSELPDCJWOSCLU-UHFFFAOYSA-N 0 3 396.532 0.199 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000133117886 1186986237 /nfs/dbraw/zinc/98/62/37/1186986237.db2.gz KEIQZTSZLMGZSU-AWEZNQCLSA-N 0 3 396.557 0.954 20 0 GCADHN C[C@@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)NC(=O)C1CCCC1 ZINC000152704470 1187007324 /nfs/dbraw/zinc/00/73/24/1187007324.db2.gz LTKSLXBSIUPCTN-RDJZCZTQSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H](CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)NC(=O)C1CCCC1 ZINC000152704655 1187008864 /nfs/dbraw/zinc/00/88/64/1187008864.db2.gz LTKSLXBSIUPCTN-DOTOQJQBSA-N 0 3 378.517 0.836 20 0 GCADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000584193749 1187012720 /nfs/dbraw/zinc/01/27/20/1187012720.db2.gz CYIVKLMVEYUDNG-PKOBYXMFSA-N 0 3 388.447 0.477 20 0 GCADHN CCN1CCN(CCNC(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000375744591 1187016378 /nfs/dbraw/zinc/01/63/78/1187016378.db2.gz RWZREWGQWHYPPL-MRXNPFEDSA-N 0 3 384.521 0.766 20 0 GCADHN CCc1cccc(OC[C@@H](O)CNCCNS(=O)(=O)c2cccnc2)c1 ZINC000584227276 1187017510 /nfs/dbraw/zinc/01/75/10/1187017510.db2.gz MHMNNVPXNMEETF-INIZCTEOSA-N 0 3 379.482 0.952 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)C[C@@H]1O ZINC000584241685 1187019662 /nfs/dbraw/zinc/01/96/62/1187019662.db2.gz RQKUBRKOGNWUEV-ULQDDVLXSA-N 0 3 377.489 0.151 20 0 GCADHN Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CC2 ZINC000127509219 1187021979 /nfs/dbraw/zinc/02/19/79/1187021979.db2.gz CRPBLQDQFHKZLM-QGZVFWFLSA-N 0 3 384.480 0.649 20 0 GCADHN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000584283678 1187025731 /nfs/dbraw/zinc/02/57/31/1187025731.db2.gz UZHSAWXSUIVAMK-SJORKVTESA-N 0 3 383.533 0.739 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn(C)nn1)C2 ZINC001111517746 1187026128 /nfs/dbraw/zinc/02/61/28/1187026128.db2.gz JJWNBUOLAPUIQI-TVFCKZIOSA-N 0 3 379.505 0.503 20 0 GCADHN CC(C)N1CCCC[C@@H]1C(=O)NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001745111235 1187026157 /nfs/dbraw/zinc/02/61/57/1187026157.db2.gz BZYVAZGAFVUEKZ-WNRNVDISSA-N 0 3 381.517 0.875 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000278711163 1187027985 /nfs/dbraw/zinc/02/79/85/1187027985.db2.gz QXCVGASNGFHBES-CQSZACIVSA-N 0 3 393.488 0.720 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCN(C(=O)Nc4ccccc4)C3)CCN2C1=O ZINC000584302695 1187028664 /nfs/dbraw/zinc/02/86/64/1187028664.db2.gz LLDSAVMGNGAJCP-ARFHVFGLSA-N 0 3 386.456 0.246 20 0 GCADHN Cn1ccnc1[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(F)cc1 ZINC000584362112 1187039913 /nfs/dbraw/zinc/03/99/13/1187039913.db2.gz NSLJBHAUZXXPOB-BZUAXINKSA-N 0 3 386.431 0.602 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)nc1 ZINC000278738690 1187042025 /nfs/dbraw/zinc/04/20/25/1187042025.db2.gz UAGIXIALFLENGL-CYBMUJFWSA-N 0 3 397.501 0.707 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CC1=O ZINC000081410604 1187045573 /nfs/dbraw/zinc/04/55/73/1187045573.db2.gz ATULMCXRLMGCJI-QGZVFWFLSA-N 0 3 378.517 0.648 20 0 GCADHN CN(C)[C@@H](CNC(=O)N(C)C[C@H](O)CN1CCOCC1)Cc1ccccc1 ZINC000083694289 1187051862 /nfs/dbraw/zinc/05/18/62/1187051862.db2.gz UXADPXNPGQIYPU-MOPGFXCFSA-N 0 3 378.517 0.494 20 0 GCADHN CN(C)CC1(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000635540708 1187053345 /nfs/dbraw/zinc/05/33/45/1187053345.db2.gz IIOZMQAHSXWESA-MRXNPFEDSA-N 0 3 387.546 0.066 20 0 GCADHN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584422105 1187056686 /nfs/dbraw/zinc/05/66/86/1187056686.db2.gz MDCKTEFBVOPLNO-ROUUACIJSA-N 0 3 396.495 0.980 20 0 GCADHN COc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OC)cc1Cl ZINC000584422212 1187057277 /nfs/dbraw/zinc/05/72/77/1187057277.db2.gz PYBZDMOIWUQXFQ-MWLCHTKSSA-N 0 3 396.831 0.066 20 0 GCADHN CCOC(=O)[C@@H](CO)NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000611859090 1187061806 /nfs/dbraw/zinc/06/18/06/1187061806.db2.gz JNNYCVQBHBGODY-OAHLLOKOSA-N 0 3 387.440 0.217 20 0 GCADHN CC[C@H](C)N[C@H](CNC(=O)CNS(=O)(=O)c1cn(C)cn1)c1ccco1 ZINC000584442229 1187065667 /nfs/dbraw/zinc/06/56/67/1187065667.db2.gz APUFMVRWYABPER-QWHCGFSZSA-N 0 3 383.474 0.537 20 0 GCADHN CCc1nc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)sc1C ZINC000375759716 1187068097 /nfs/dbraw/zinc/06/80/97/1187068097.db2.gz YFBSBYZODPULHU-AWEZNQCLSA-N 0 3 393.513 0.717 20 0 GCADHN O=C(CN1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1)Nc1nncs1 ZINC000635550641 1187069533 /nfs/dbraw/zinc/06/95/33/1187069533.db2.gz IBXULDBAMSWOKE-CQSZACIVSA-N 0 3 378.502 0.638 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000139647243 1187077383 /nfs/dbraw/zinc/07/73/83/1187077383.db2.gz UHJKWKGVGKMTRH-GOSISDBHSA-N 0 3 385.512 0.997 20 0 GCADHN COCCN1CCC(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000141425812 1187080554 /nfs/dbraw/zinc/08/05/54/1187080554.db2.gz PAHVXLHASIFEKG-ZOBUZTSGSA-N 0 3 384.546 0.939 20 0 GCADHN COCCN1CCC(NC(=O)[C@H](Cc2cccc(OC)c2)NC(C)=O)CC1 ZINC000141350830 1187080867 /nfs/dbraw/zinc/08/08/67/1187080867.db2.gz MIKPQXLWLAXZKS-IBGZPJMESA-N 0 3 377.485 0.969 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000144369570 1187082552 /nfs/dbraw/zinc/08/25/52/1187082552.db2.gz KYYUUXGVJZQVHE-GOEBONIOSA-N 0 3 383.489 0.261 20 0 GCADHN CN(CC(=O)NCCCCN1CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC000147523617 1187085559 /nfs/dbraw/zinc/08/55/59/1187085559.db2.gz RLIAVPNNEAGLNU-UHFFFAOYSA-N 0 3 382.530 0.451 20 0 GCADHN CN1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCCCN2C)CCOCC1 ZINC000635562239 1187092241 /nfs/dbraw/zinc/09/22/41/1187092241.db2.gz MCNGBHBNIZYMKR-IRXDYDNUSA-N 0 3 380.533 0.737 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000685339133 1187102917 /nfs/dbraw/zinc/10/29/17/1187102917.db2.gz DOEWPUDUGDEWPA-MJGOQNOKSA-N 0 3 390.528 0.721 20 0 GCADHN CCc1nn(C)c(CC)c1CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000685347090 1187110380 /nfs/dbraw/zinc/11/03/80/1187110380.db2.gz KEQIBBUSOYEXAS-HNNXBMFYSA-N 0 3 393.532 0.730 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@@H]1CN(C)CCO1 ZINC000685344444 1187110470 /nfs/dbraw/zinc/11/04/70/1187110470.db2.gz XACHSGBHFRVLNF-QAPCUYQASA-N 0 3 394.491 0.551 20 0 GCADHN CCOc1ccc(C(=O)NCC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000618302433 1187112558 /nfs/dbraw/zinc/11/25/58/1187112558.db2.gz PXUBBSZJXCYMHO-UHFFFAOYSA-N 0 3 378.473 0.294 20 0 GCADHN CCN1C[C@H](CN(C)C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)Oc2ccccc21 ZINC000657897115 1187144478 /nfs/dbraw/zinc/14/44/78/1187144478.db2.gz ZXYCVAMNTFDRDV-XYJFISCASA-N 0 3 386.496 0.895 20 0 GCADHN COC1CCN(CCNC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000131491828 1187176242 /nfs/dbraw/zinc/17/62/42/1187176242.db2.gz VGNFPXMXUQYKDE-ZDUSSCGKSA-N 0 3 380.411 0.950 20 0 GCADHN COC1CCN(CCNC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000131491640 1187176360 /nfs/dbraw/zinc/17/63/60/1187176360.db2.gz VGNFPXMXUQYKDE-CYBMUJFWSA-N 0 3 380.411 0.950 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000685602612 1187177614 /nfs/dbraw/zinc/17/76/14/1187177614.db2.gz HGONYXWTNZPILA-QGZVFWFLSA-N 0 3 395.525 0.987 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1 ZINC000972738471 1187209586 /nfs/dbraw/zinc/20/95/86/1187209586.db2.gz ZPIRTHUZZIIKAN-MUIFIZLQSA-N 0 3 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1187326710 /nfs/dbraw/zinc/32/67/10/1187326710.db2.gz XOOFAVCGZAUSBB-UHFFFAOYSA-N 0 3 381.404 0.778 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000658523717 1187330155 /nfs/dbraw/zinc/33/01/55/1187330155.db2.gz ZIGQPPHQNMIYOG-INIZCTEOSA-N 0 3 378.517 0.790 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658535870 1187337268 /nfs/dbraw/zinc/33/72/68/1187337268.db2.gz KAUFGUBETVTUPW-INIZCTEOSA-N 0 3 390.484 0.628 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000658569746 1187350488 /nfs/dbraw/zinc/35/04/88/1187350488.db2.gz CYJJNKFXNROLIT-LJQANCHMSA-N 0 3 394.560 0.890 20 0 GCADHN O=C(Cc1cncn1Cc1ccccc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000685742525 1187395965 /nfs/dbraw/zinc/39/59/65/1187395965.db2.gz HEBHCEMWXXVCRF-HXUWFJFHSA-N 0 3 397.523 0.997 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N2CCO[C@H](CN(C)C)C2)[C@H]1c1ccccc1 ZINC000685744182 1187400988 /nfs/dbraw/zinc/40/09/88/1187400988.db2.gz PVPYISMFGMZOMO-QRQLOZEOSA-N 0 3 375.469 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CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000658779155 1187460307 /nfs/dbraw/zinc/46/03/07/1187460307.db2.gz SKLXEBLNLRYHOH-GDBMZVCRSA-N 0 3 386.452 0.431 20 0 GCADHN CCOC(=O)[C@](C)(O)CN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375898503 1187477367 /nfs/dbraw/zinc/47/73/67/1187477367.db2.gz UDPBUNMUUNQNIW-HNAYVOBHSA-N 0 3 385.505 0.928 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c2ccccc2O1 ZINC000612399617 1187481404 /nfs/dbraw/zinc/48/14/04/1187481404.db2.gz DGKANAVGXMSDDJ-KBPBESRZSA-N 0 3 382.486 0.258 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(CC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000375906481 1187481998 /nfs/dbraw/zinc/48/19/98/1187481998.db2.gz PHWVFBWHGMOKEL-CYBMUJFWSA-N 0 3 379.427 0.475 20 0 GCADHN CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC12CCCCC2 ZINC000569949498 1187485543 /nfs/dbraw/zinc/48/55/43/1187485543.db2.gz YNJCHOQPSNNIGO-HOCLYGCPSA-N 0 3 394.516 0.609 20 0 GCADHN Cn1cc(CCN2CCCC[C@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cn1 ZINC001024573160 1187489384 /nfs/dbraw/zinc/48/93/84/1187489384.db2.gz HHMQPMUCFVPQER-CADBVGFASA-N 0 3 376.501 0.985 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000612479962 1187503527 /nfs/dbraw/zinc/50/35/27/1187503527.db2.gz FMOLWSBERUZIJV-SFHVURJKSA-N 0 3 394.560 0.794 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000612481048 1187504328 /nfs/dbraw/zinc/50/43/28/1187504328.db2.gz OMWBQTIYFNMUMP-RTBURBONSA-N 0 3 394.560 0.794 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CCCNC(=O)C1CCC1 ZINC000612481850 1187504936 /nfs/dbraw/zinc/50/49/36/1187504936.db2.gz GDBXEEFRBNQVDP-INIZCTEOSA-N 0 3 380.533 0.988 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000612485759 1187506173 /nfs/dbraw/zinc/50/61/73/1187506173.db2.gz LGRXICPILBMGDA-ZWKOTPCHSA-N 0 3 380.533 0.546 20 0 GCADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1F ZINC000375955817 1187508604 /nfs/dbraw/zinc/50/86/04/1187508604.db2.gz ZHHXETUAIFARDG-OAHLLOKOSA-N 0 3 398.504 0.632 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](Oc2ccccc2)C(C)(C)O)CC1 ZINC000612522984 1187513772 /nfs/dbraw/zinc/51/37/72/1187513772.db2.gz MBMGDZGADFXXRW-QZTJIDSGSA-N 0 3 389.496 0.970 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413802298 1187518066 /nfs/dbraw/zinc/51/80/66/1187518066.db2.gz UMLFWBMPXTUYFR-SJORKVTESA-N 0 3 379.505 0.446 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000612548950 1187519731 /nfs/dbraw/zinc/51/97/31/1187519731.db2.gz UGKNCXROZNJRMB-XLAORIBOSA-N 0 3 380.533 0.687 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCn3c(nnc3-c3ccccc3)C2)C1 ZINC000612549366 1187520011 /nfs/dbraw/zinc/52/00/11/1187520011.db2.gz XVGPUXLGZBWTIR-INIZCTEOSA-N 0 3 382.468 0.888 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCn3c(nnc3-c3ccccc3)C2)C1 ZINC000612549367 1187520248 /nfs/dbraw/zinc/52/02/48/1187520248.db2.gz XVGPUXLGZBWTIR-MRXNPFEDSA-N 0 3 382.468 0.888 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)COCc2ccccc2)C1 ZINC000612548720 1187520642 /nfs/dbraw/zinc/52/06/42/1187520642.db2.gz QOZAATPFIAKIBT-ZWKOTPCHSA-N 0 3 377.485 0.623 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)c(OC)n1 ZINC000658804863 1187522029 /nfs/dbraw/zinc/52/20/29/1187522029.db2.gz XNOIWLMKQJICGI-CYBMUJFWSA-N 0 3 378.429 0.407 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](N4CCOCC4)C34CCC4)[C@@H]2C1 ZINC000612560052 1187524261 /nfs/dbraw/zinc/52/42/61/1187524261.db2.gz OQWCFLKWZSNVIW-BRSBDYLESA-N 0 3 390.528 0.299 20 0 GCADHN O=C(CNS(=O)(=O)c1cccc(F)c1)NC1CCN([C@H]2CCOC2)CC1 ZINC000685785119 1187529461 /nfs/dbraw/zinc/52/94/61/1187529461.db2.gz KABBDBFQVZWCGU-HNNXBMFYSA-N 0 3 385.461 0.474 20 0 GCADHN CCS(=O)(=O)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000413830089 1187533556 /nfs/dbraw/zinc/53/35/56/1187533556.db2.gz HPAIEXQCDRISDO-MSOLQXFVSA-N 0 3 397.541 0.993 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCOCC2(CCCC2)C1 ZINC000612594355 1187535076 /nfs/dbraw/zinc/53/50/76/1187535076.db2.gz KLSVNEMDYPTQFN-KRWDZBQOSA-N 0 3 379.501 0.775 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)[C@H](C)C1=O ZINC000612594932 1187535380 /nfs/dbraw/zinc/53/53/80/1187535380.db2.gz QFVVEDNKCBEHGB-WBVHZDCISA-N 0 3 394.516 0.071 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000612595334 1187535635 /nfs/dbraw/zinc/53/56/35/1187535635.db2.gz GQZKTYALYMDYEK-RBUKOAKNSA-N 0 3 387.480 0.956 20 0 GCADHN COCCO[C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612595171 1187535884 /nfs/dbraw/zinc/53/58/84/1187535884.db2.gz JYBZDZHIWNYDMF-DLBZAZTESA-N 0 3 383.489 0.010 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@@]2(CCCOC2)O1 ZINC000612596534 1187536687 /nfs/dbraw/zinc/53/66/87/1187536687.db2.gz VXAMKDCKZRHGJP-WRWLIDTKSA-N 0 3 395.500 0.152 20 0 GCADHN CN(C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@H](CO)Cc1ccccc1 ZINC000612592368 1187537074 /nfs/dbraw/zinc/53/70/74/1187537074.db2.gz PKVGGICWGAGTAQ-MOPGFXCFSA-N 0 3 389.496 0.418 20 0 GCADHN COc1ccc2c(c1)CCN(C(=O)C(=O)NC1CCN([C@H]3CCOC3)CC1)C2 ZINC000612592347 1187537168 /nfs/dbraw/zinc/53/71/68/1187537168.db2.gz OUSJHQHSDNIGHO-SFHVURJKSA-N 0 3 387.480 0.949 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC2(CCCC2)O1 ZINC000612592401 1187537814 /nfs/dbraw/zinc/53/78/14/1187537814.db2.gz QDHISRWQKNMNRJ-NVXWUHKLSA-N 0 3 379.501 0.916 20 0 GCADHN CN(C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@@H](CO)Cc1ccccc1 ZINC000612592370 1187537868 /nfs/dbraw/zinc/53/78/68/1187537868.db2.gz PKVGGICWGAGTAQ-RBUKOAKNSA-N 0 3 389.496 0.418 20 0 GCADHN Cc1ccc([C@@H]2COCCN2C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)o1 ZINC000612598307 1187538584 /nfs/dbraw/zinc/53/85/84/1187538584.db2.gz BQXOTPZGIDPQPQ-IRXDYDNUSA-N 0 3 391.468 0.857 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000612599164 1187538673 /nfs/dbraw/zinc/53/86/73/1187538673.db2.gz QEEVDJVNLCXWPB-HOTGVXAUSA-N 0 3 375.473 0.833 20 0 GCADHN C[C@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000612598846 1187538698 /nfs/dbraw/zinc/53/86/98/1187538698.db2.gz KEYFNZNTLPIYOO-HLLBOEOZSA-N 0 3 394.516 0.262 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000612602160 1187540160 /nfs/dbraw/zinc/54/01/60/1187540160.db2.gz WGURUTDGQAUCLL-QGZVFWFLSA-N 0 3 387.484 0.100 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612609026 1187542728 /nfs/dbraw/zinc/54/27/28/1187542728.db2.gz WUIIVDYMNILJOV-OAHLLOKOSA-N 0 3 392.500 0.933 20 0 GCADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000612624466 1187544011 /nfs/dbraw/zinc/54/40/11/1187544011.db2.gz ULCPMBCGRAZGRR-HNNXBMFYSA-N 0 3 384.502 0.198 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@H]2CCN(CC)C2)CCN1CCOC ZINC000658821216 1187553838 /nfs/dbraw/zinc/55/38/38/1187553838.db2.gz KDECBVSFKPRFIS-ROUUACIJSA-N 0 3 382.549 0.888 20 0 GCADHN C[C@H](NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)C1=CCN(C)CC1 ZINC000511363392 1187559482 /nfs/dbraw/zinc/55/94/82/1187559482.db2.gz RIUMKROTOKZZJP-NSHDSACASA-N 0 3 394.453 0.009 20 0 GCADHN CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000570278926 1187559952 /nfs/dbraw/zinc/55/99/52/1187559952.db2.gz UYOWZJAHTDPVTD-OAHLLOKOSA-N 0 3 392.485 0.512 20 0 GCADHN COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000612717532 1187562675 /nfs/dbraw/zinc/56/26/75/1187562675.db2.gz LBJJUUADNZEDDN-ZDUSSCGKSA-N 0 3 380.445 0.617 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CC(C)C)C1 ZINC000413894907 1187568908 /nfs/dbraw/zinc/56/89/08/1187568908.db2.gz PUDSCOHLRHZHNW-GDBMZVCRSA-N 0 3 393.488 0.046 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)C1 ZINC000413904690 1187577222 /nfs/dbraw/zinc/57/72/22/1187577222.db2.gz PWCVMCAADBUMGE-IEBWSBKVSA-N 0 3 389.496 0.748 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)C1 ZINC000413911789 1187582246 /nfs/dbraw/zinc/58/22/46/1187582246.db2.gz ZDUJWBARYLWFGE-LJQANCHMSA-N 0 3 388.512 0.611 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000413911883 1187583941 /nfs/dbraw/zinc/58/39/41/1187583941.db2.gz ZGCVKNXMCJZRAQ-IBGZPJMESA-N 0 3 388.512 0.611 20 0 GCADHN O=C(CO)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000376113267 1187612335 /nfs/dbraw/zinc/61/23/35/1187612335.db2.gz HNLDASJREDBFKC-INIZCTEOSA-N 0 3 381.423 0.807 20 0 GCADHN C[C@@H](NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CN(C)CCO1 ZINC000133577570 1187614353 /nfs/dbraw/zinc/61/43/53/1187614353.db2.gz FAFQTEHWAGCMMM-XLIONFOSSA-N 0 3 389.544 0.952 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000668790761 1187621270 /nfs/dbraw/zinc/62/12/70/1187621270.db2.gz RRJNJTYZFJUMIO-HIFRSBDPSA-N 0 3 396.513 0.372 20 0 GCADHN CCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCN(CC)[C@@H](C)C3)O2)C[C@H]1C ZINC000612951518 1187624963 /nfs/dbraw/zinc/62/49/63/1187624963.db2.gz FXYNCBZQSKRLOZ-USTZCAOPSA-N 0 3 380.533 0.639 20 0 GCADHN Cn1cc(CCCNC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)cn1 ZINC000668791216 1187625825 /nfs/dbraw/zinc/62/58/25/1187625825.db2.gz XIYOHGULAPAMDL-UHFFFAOYSA-N 0 3 398.511 0.892 20 0 GCADHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC000413991323 1187628876 /nfs/dbraw/zinc/62/88/76/1187628876.db2.gz PSBKHJHANHVZOA-HZPDHXFCSA-N 0 3 383.452 0.842 20 0 GCADHN C(C1CC1)n1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000613080439 1187659950 /nfs/dbraw/zinc/65/99/50/1187659950.db2.gz PXOMWYGYOKIZTK-SQNIBIBYSA-N 0 3 388.516 0.745 20 0 GCADHN CC(C)(C)n1nnc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000613089042 1187661597 /nfs/dbraw/zinc/66/15/97/1187661597.db2.gz UNPPTZLKQXSMIH-IAGOWNOFSA-N 0 3 386.500 0.970 20 0 GCADHN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000472511338 1187671774 /nfs/dbraw/zinc/67/17/74/1187671774.db2.gz FRJREOOLOVYWQN-CYBMUJFWSA-N 0 3 389.456 0.230 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1)N1CCCC1 ZINC001024907015 1187678938 /nfs/dbraw/zinc/67/89/38/1187678938.db2.gz GVQFPPOMUPQIOC-BSDSXHPESA-N 0 3 393.528 0.611 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)N(C)C[C@H]3C)n[nH]2)[C@H](C)CN1C ZINC000613189867 1187694751 /nfs/dbraw/zinc/69/47/51/1187694751.db2.gz ABSCTGCXNDFOIX-LXTVHRRPSA-N 0 3 376.505 0.739 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)N(C)C[C@H]3C)[nH]n2)[C@H](C)CN1C ZINC000613189867 1187694757 /nfs/dbraw/zinc/69/47/57/1187694757.db2.gz ABSCTGCXNDFOIX-LXTVHRRPSA-N 0 3 376.505 0.739 20 0 GCADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000376219946 1187697391 /nfs/dbraw/zinc/69/73/91/1187697391.db2.gz OYWHVBSTHQUQKW-OAHLLOKOSA-N 0 3 398.467 0.502 20 0 GCADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000376219946 1187697395 /nfs/dbraw/zinc/69/73/95/1187697395.db2.gz OYWHVBSTHQUQKW-OAHLLOKOSA-N 0 3 398.467 0.502 20 0 GCADHN CC[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000658876282 1187702991 /nfs/dbraw/zinc/70/29/91/1187702991.db2.gz SMLOJZWHYYUVHU-BRWVUGGUSA-N 0 3 378.517 0.789 20 0 GCADHN CN1CCN(c2ccnc(NC(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)c2)CC1 ZINC000636311634 1187716840 /nfs/dbraw/zinc/71/68/40/1187716840.db2.gz HVGPFMSKKULWTB-CVEARBPZSA-N 0 3 383.456 0.202 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@](O)(C(F)(F)F)CC2)n1 ZINC000376262212 1187730542 /nfs/dbraw/zinc/73/05/42/1187730542.db2.gz NCCWRJCONZXSEO-AWEZNQCLSA-N 0 3 378.399 0.224 20 0 GCADHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)Cn1cccn1 ZINC000414140599 1187736469 /nfs/dbraw/zinc/73/64/69/1187736469.db2.gz QZJQDZSEBGMXOC-PXNSSMCTSA-N 0 3 383.452 0.831 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(CC(=O)N3CCO[C@@H](C)C3)CC2)CC1 ZINC000066568387 1187738380 /nfs/dbraw/zinc/73/83/80/1187738380.db2.gz MWXUIVAGONUCIP-KRWDZBQOSA-N 0 3 380.533 0.500 20 0 GCADHN COC(=O)c1cn(C2CCN(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)CC2)nn1 ZINC000376294434 1187751780 /nfs/dbraw/zinc/75/17/80/1187751780.db2.gz BCTDIIIZOXPUHL-SWLSCSKDSA-N 0 3 376.461 0.894 20 0 GCADHN O=C(CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O)NC[C@H]1COc2ccccc2O1 ZINC000332678346 1187754673 /nfs/dbraw/zinc/75/46/73/1187754673.db2.gz CWHLINHEKQPUTI-MWDXBVQZSA-N 0 3 376.453 0.804 20 0 GCADHN CCN(CCO)CCNC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000376322386 1187762074 /nfs/dbraw/zinc/76/20/74/1187762074.db2.gz QAUYLAHKUSAOGT-UHFFFAOYSA-N 0 3 396.532 0.944 20 0 GCADHN CN1C(=O)C[C@H](NC(=O)[C@H]2CN3CCN2CCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000332766714 1187764351 /nfs/dbraw/zinc/76/43/51/1187764351.db2.gz CLCUJNPCFYYXBL-JZXOWHBKSA-N 0 3 378.423 0.743 20 0 GCADHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCCCC2)n1C1CC1 ZINC000414217355 1187767891 /nfs/dbraw/zinc/76/78/91/1187767891.db2.gz BFKOOIXNIWNVSZ-NSHDSACASA-N 0 3 398.489 0.611 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000332786489 1187772896 /nfs/dbraw/zinc/77/28/96/1187772896.db2.gz UIXXGQJBLUWQSH-GVDBMIGSSA-N 0 3 399.557 0.839 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1)N1CCCC1 ZINC001025042313 1187778491 /nfs/dbraw/zinc/77/84/91/1187778491.db2.gz SLVPWMMBXRKLSI-VQHPVUNQSA-N 0 3 379.501 0.364 20 0 GCADHN CCNC(=O)CN1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000332864376 1187796599 /nfs/dbraw/zinc/79/65/99/1187796599.db2.gz HEASDINCMYPZSH-MJGOQNOKSA-N 0 3 387.528 0.970 20 0 GCADHN C[C@H]1CC[C@H](C)N1CC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000332917329 1187817165 /nfs/dbraw/zinc/81/71/65/1187817165.db2.gz CHGCQHIFDYPMSK-KBPBESRZSA-N 0 3 383.518 0.562 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000332917678 1187817333 /nfs/dbraw/zinc/81/73/33/1187817333.db2.gz YUENIKICJDXXJD-YOEHRIQHSA-N 0 3 393.509 0.920 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@@H](O)CN[C@@H]1CCCc2c1cnn2CCO ZINC000647519421 1187827279 /nfs/dbraw/zinc/82/72/79/1187827279.db2.gz GSMVCAJFUHXKFG-DOTOQJQBSA-N 0 3 399.451 0.720 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)Nc2ccccc2C(=O)N2CCOCC2)n1 ZINC000658979902 1187829089 /nfs/dbraw/zinc/82/90/89/1187829089.db2.gz GRDJTDZBMONUIX-UHFFFAOYSA-N 0 3 386.412 0.435 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)CC2)C[C@H](C)O1 ZINC000658987295 1187831126 /nfs/dbraw/zinc/83/11/26/1187831126.db2.gz VVCVPELKYSDRRK-PTIUUAQKSA-N 0 3 393.528 0.564 20 0 GCADHN Cc1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(OCC(=O)N(C)C)c1 ZINC000658988424 1187831277 /nfs/dbraw/zinc/83/12/77/1187831277.db2.gz BWOUPBYUVBRNGC-UHFFFAOYSA-N 0 3 388.428 0.738 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1C ZINC000659004231 1187839602 /nfs/dbraw/zinc/83/96/02/1187839602.db2.gz IUFMMKOWDUSJEF-UHFFFAOYSA-N 0 3 380.430 0.179 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000659027306 1187846449 /nfs/dbraw/zinc/84/64/49/1187846449.db2.gz MERHTYMRMMFCAP-UHFFFAOYSA-N 0 3 380.533 0.500 20 0 GCADHN CN1CCN(CCNC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1(C)C ZINC000376457054 1187850868 /nfs/dbraw/zinc/85/08/68/1187850868.db2.gz ZLIARNHQPHHSOK-QGZVFWFLSA-N 0 3 394.564 0.992 20 0 GCADHN CC1(C2CC2)CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000516351586 1187878833 /nfs/dbraw/zinc/87/88/33/1187878833.db2.gz AECIEPOIZUGFCQ-UHFFFAOYSA-N 0 3 392.544 0.502 20 0 GCADHN O=C(NCCCN1C(=O)COc2ccccc21)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000376485054 1187879807 /nfs/dbraw/zinc/87/98/07/1187879807.db2.gz PLAVLEYJIJAMOR-CVEARBPZSA-N 0 3 388.468 0.965 20 0 GCADHN CCc1nsc(N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)n1 ZINC000376487872 1187880779 /nfs/dbraw/zinc/88/07/79/1187880779.db2.gz YHUAOGBMNSUNFN-ZIAGYGMSSA-N 0 3 380.518 0.795 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(C(F)(F)F)c1 ZINC000659110316 1187886255 /nfs/dbraw/zinc/88/62/55/1187886255.db2.gz BCZRKVBINZQAOP-UHFFFAOYSA-N 0 3 399.329 0.923 20 0 GCADHN COc1cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccc1C(F)(F)F ZINC000659110499 1187886566 /nfs/dbraw/zinc/88/65/66/1187886566.db2.gz KUNFYIRHGURNIY-UHFFFAOYSA-N 0 3 399.329 0.923 20 0 GCADHN COc1cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccc1OC(C)C ZINC000659110806 1187886641 /nfs/dbraw/zinc/88/66/41/1187886641.db2.gz UPEVMPPBIDBNDW-UHFFFAOYSA-N 0 3 389.412 0.692 20 0 GCADHN CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659110698 1187886770 /nfs/dbraw/zinc/88/67/70/1187886770.db2.gz QFKMVMOWHZVFKT-UHFFFAOYSA-N 0 3 399.411 0.933 20 0 GCADHN Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659110461 1187886817 /nfs/dbraw/zinc/88/68/17/1187886817.db2.gz JGRYNILMQICBRB-UHFFFAOYSA-N 0 3 387.444 0.677 20 0 GCADHN COc1ccc(OC(F)F)c(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659111275 1187890820 /nfs/dbraw/zinc/89/08/20/1187890820.db2.gz FLYUJFBECJBUQM-UHFFFAOYSA-N 0 3 397.338 0.506 20 0 GCADHN O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000659132796 1187900354 /nfs/dbraw/zinc/90/03/54/1187900354.db2.gz GSCHXHDNGVSHKT-ROUUACIJSA-N 0 3 379.501 0.870 20 0 GCADHN CN(C)[C@@H](CNC(=O)N1CCN(CC(=O)NC2CC2)CC1)Cc1ccccc1 ZINC000053537967 1187902250 /nfs/dbraw/zinc/90/22/50/1187902250.db2.gz POODVRAIBKBFSY-LJQANCHMSA-N 0 3 387.528 0.765 20 0 GCADHN O=C(C(=O)N1CCn2c(nnc2-c2ccccc2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000659159198 1187904175 /nfs/dbraw/zinc/90/41/75/1187904175.db2.gz BAJGOQUCFUIWEG-KRWDZBQOSA-N 0 3 394.479 0.984 20 0 GCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000642958488 1187922376 /nfs/dbraw/zinc/92/23/76/1187922376.db2.gz DCXUGSQQCPFATK-TZMCWYRMSA-N 0 3 379.457 0.891 20 0 GCADHN CC1CCC(N2CCN(CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)CC2)CC1 ZINC000115565315 1187922572 /nfs/dbraw/zinc/92/25/72/1187922572.db2.gz FHCNEFUAQRJEGV-UHFFFAOYSA-N 0 3 389.500 0.833 20 0 GCADHN C[C@@H](C(=O)NC(N)=O)N(C)CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001267600301 1187923593 /nfs/dbraw/zinc/92/35/93/1187923593.db2.gz OBUXUSJAMFKKIP-JWTRZGPZSA-N 0 3 378.473 0.164 20 0 GCADHN CCOCCNC(=O)CN(C)CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001267600280 1187923821 /nfs/dbraw/zinc/92/38/21/1187923821.db2.gz MYCAOPUPCWNADG-GJNTUIEKSA-N 0 3 393.528 0.733 20 0 GCADHN C[C@H](C(=O)NC(N)=O)N(C)CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001267600300 1187923884 /nfs/dbraw/zinc/92/38/84/1187923884.db2.gz OBUXUSJAMFKKIP-BAGFCZJQSA-N 0 3 378.473 0.164 20 0 GCADHN COC[C@H]1C[C@@H](O)CN1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000650960289 1187927197 /nfs/dbraw/zinc/92/71/97/1187927197.db2.gz CTXWXULNXKZJRF-IEBWSBKVSA-N 0 3 377.485 0.935 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC000588258628 1187927850 /nfs/dbraw/zinc/92/78/50/1187927850.db2.gz WPHDIEFLMAEBRS-CVEARBPZSA-N 0 3 382.505 0.073 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2ccc(OCC(F)(F)F)nc2)n1 ZINC000659434189 1187956940 /nfs/dbraw/zinc/95/69/40/1187956940.db2.gz RKRKJXPQHPZVCT-UHFFFAOYSA-N 0 3 386.334 0.976 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000659425936 1187956950 /nfs/dbraw/zinc/95/69/50/1187956950.db2.gz SDCWLWOVHGKXNJ-ZDUSSCGKSA-N 0 3 392.485 0.575 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H](c2cccs2)N2CCOCC2)n1 ZINC000659425935 1187957036 /nfs/dbraw/zinc/95/70/36/1187957036.db2.gz SDCWLWOVHGKXNJ-CYBMUJFWSA-N 0 3 392.485 0.575 20 0 GCADHN C[C@H]1CN(c2ccc(CNC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)cn2)CCO1 ZINC000659432659 1187957098 /nfs/dbraw/zinc/95/70/98/1187957098.db2.gz IEOHIOIOCWBXAM-LBPRGKRZSA-N 0 3 387.444 0.260 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1F ZINC000376593146 1187959541 /nfs/dbraw/zinc/95/95/41/1187959541.db2.gz QGSHHKCGLCLTAR-OLZOCXBDSA-N 0 3 386.449 0.719 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 ZINC000659457369 1187961224 /nfs/dbraw/zinc/96/12/24/1187961224.db2.gz DZXMWZUFPMJTAL-CYBMUJFWSA-N 0 3 390.831 0.899 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)n1 ZINC000659466335 1187961775 /nfs/dbraw/zinc/96/17/75/1187961775.db2.gz XYEHMXAHXRJQNE-MRXNPFEDSA-N 0 3 398.467 0.674 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)n1 ZINC000659466142 1187962478 /nfs/dbraw/zinc/96/24/78/1187962478.db2.gz DYKPFAWYPDGHRF-OAHLLOKOSA-N 0 3 398.467 0.674 20 0 GCADHN COc1ccccc1N1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1=O ZINC000659467574 1187963129 /nfs/dbraw/zinc/96/31/29/1187963129.db2.gz RJPMVGPBHUMZCN-GFCCVEGCSA-N 0 3 386.412 0.254 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1Cl ZINC000659485005 1187964972 /nfs/dbraw/zinc/96/49/72/1187964972.db2.gz DWYQMXKIVWKMLI-UHFFFAOYSA-N 0 3 399.860 0.697 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCNC(=O)CCCc2ccccc2)n1 ZINC000659557154 1187971220 /nfs/dbraw/zinc/97/12/20/1187971220.db2.gz XRWHBOQLVFCVLL-UHFFFAOYSA-N 0 3 386.456 0.579 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2)nn1 ZINC000659610509 1187976558 /nfs/dbraw/zinc/97/65/58/1187976558.db2.gz MZAHLJOESPBPIT-JKSUJKDBSA-N 0 3 390.492 0.373 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC(Oc3ncccc3F)CC2)n1 ZINC000659628997 1187977784 /nfs/dbraw/zinc/97/77/84/1187977784.db2.gz BSRVRIWVJDDIQV-UHFFFAOYSA-N 0 3 376.392 0.928 20 0 GCADHN CCN(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000659631364 1187978397 /nfs/dbraw/zinc/97/83/97/1187978397.db2.gz DHTJCWGULRPWLB-HNNXBMFYSA-N 0 3 384.440 0.978 20 0 GCADHN CCc1ccc(C(=O)N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)cc1 ZINC000659632795 1187979129 /nfs/dbraw/zinc/97/91/29/1187979129.db2.gz HDXRXXHIHLKNPO-UHFFFAOYSA-N 0 3 398.467 0.871 20 0 GCADHN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000549112594 1187982008 /nfs/dbraw/zinc/98/20/08/1187982008.db2.gz KFGRLLZKFOEFHH-QGZVFWFLSA-N 0 3 378.521 0.487 20 0 GCADHN Cc1n[nH]c(C)c1NC(=O)CNCC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001104690147 1187991548 /nfs/dbraw/zinc/99/15/48/1187991548.db2.gz LHEAEROPNWDHFZ-QZKOUSHUSA-N 0 3 390.488 0.161 20 0 GCADHN C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659676051 1187994615 /nfs/dbraw/zinc/99/46/15/1187994615.db2.gz VFOVIFPOUONGPJ-VIFPVBQESA-N 0 3 395.366 0.119 20 0 GCADHN CC[C@@H](C)Oc1cc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccn1 ZINC000659684262 1187995721 /nfs/dbraw/zinc/99/57/21/1187995721.db2.gz DCFDLWPKJRADNL-LLVKDONJSA-N 0 3 388.428 0.146 20 0 GCADHN COC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000659684945 1187996299 /nfs/dbraw/zinc/99/62/99/1187996299.db2.gz MSSXBWBPUMUFOX-ZDUSSCGKSA-N 0 3 393.831 0.414 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)Nc2nncs2)C1 ZINC001104696154 1187996914 /nfs/dbraw/zinc/99/69/14/1187996914.db2.gz SIDBUEZAEOLFEZ-BHPKHCPMSA-N 0 3 381.502 0.976 20 0 GCADHN Cc1cc([C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C2CC2)ccc1F ZINC000659687189 1187997457 /nfs/dbraw/zinc/99/74/57/1187997457.db2.gz GFTCTNWGQOUBBZ-QGZVFWFLSA-N 0 3 387.415 0.972 20 0 GCADHN CCCOc1cccc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659698091 1187999639 /nfs/dbraw/zinc/99/96/39/1187999639.db2.gz WMCRYELUPRNMCM-UHFFFAOYSA-N 0 3 387.440 0.405 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000659692959 1188000982 /nfs/dbraw/zinc/00/09/82/1188000982.db2.gz BVYFCENDJZPVLR-GXTWGEPZSA-N 0 3 387.415 0.849 20 0 GCADHN COc1ccccc1C1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659697015 1188001636 /nfs/dbraw/zinc/00/16/36/1188001636.db2.gz IRHDUGYUNODWQH-UHFFFAOYSA-N 0 3 385.424 0.114 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)cc1 ZINC000659697638 1188001648 /nfs/dbraw/zinc/00/16/48/1188001648.db2.gz SXGKFIMWLBJYRP-PMPSAXMXSA-N 0 3 395.525 0.859 20 0 GCADHN CC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(F)cc1F ZINC000659697574 1188001665 /nfs/dbraw/zinc/00/16/65/1188001665.db2.gz YKQAMQFVLVSPRH-ZDUSSCGKSA-N 0 3 379.367 0.803 20 0 GCADHN COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659707314 1188002591 /nfs/dbraw/zinc/00/25/91/1188002591.db2.gz UPDKZMYYSAQGIC-ZDUSSCGKSA-N 0 3 399.451 0.502 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)n1 ZINC000659708003 1188002947 /nfs/dbraw/zinc/00/29/47/1188002947.db2.gz LROKGISJRDYYDV-UHFFFAOYSA-N 0 3 398.250 0.923 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C12CCCCC2 ZINC000659702780 1188005542 /nfs/dbraw/zinc/00/55/42/1188005542.db2.gz UNOVESHMJRONOS-UONOGXRCSA-N 0 3 391.472 0.501 20 0 GCADHN C[C@@H](CNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)CN1CCN(C)CC1 ZINC000135242771 1188006874 /nfs/dbraw/zinc/00/68/74/1188006874.db2.gz DDRWOJWHKCSEFB-FUHWJXTLSA-N 0 3 379.549 0.960 20 0 GCADHN O=C(NCc1cccc(COC[C@H]2CCCO2)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000659726060 1188010569 /nfs/dbraw/zinc/01/05/69/1188010569.db2.gz BDZBHPWOFZUHBA-MSOLQXFVSA-N 0 3 391.468 0.103 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000659727945 1188012453 /nfs/dbraw/zinc/01/24/53/1188012453.db2.gz MESSQXQVDAVOQK-CQSZACIVSA-N 0 3 386.477 0.799 20 0 GCADHN Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000376660734 1188015159 /nfs/dbraw/zinc/01/51/59/1188015159.db2.gz SVWFQQZHICXAGR-QWRGUYRKSA-N 0 3 389.378 0.665 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@](O)(C2(C(=O)OC)CCC2)C1 ZINC000892945034 1188027289 /nfs/dbraw/zinc/02/72/89/1188027289.db2.gz YMQSSBHJQDTWGZ-OXQOHEQNSA-N 0 3 397.516 0.977 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@](O)(C2(C(=O)OC)CCC2)C1 ZINC000892945033 1188027321 /nfs/dbraw/zinc/02/73/21/1188027321.db2.gz YMQSSBHJQDTWGZ-OXJNMPFZSA-N 0 3 397.516 0.977 20 0 GCADHN O=C(Cc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1)N1CCSCC1 ZINC000415313051 1188029054 /nfs/dbraw/zinc/02/90/54/1188029054.db2.gz DIFVLYXNXGQTAA-UHFFFAOYSA-N 0 3 390.509 0.565 20 0 GCADHN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377468784 1188030442 /nfs/dbraw/zinc/03/04/42/1188030442.db2.gz CXDWFZXZLQQPKT-KBPBESRZSA-N 0 3 377.441 0.834 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000377482356 1188034298 /nfs/dbraw/zinc/03/42/98/1188034298.db2.gz VMKSNCDKCDOUHL-HUUCEWRRSA-N 0 3 383.470 0.462 20 0 GCADHN CCCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000152946805 1188037264 /nfs/dbraw/zinc/03/72/64/1188037264.db2.gz FCJLUZUEZPEYAE-IAGOWNOFSA-N 0 3 378.517 0.790 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1)N1CCCC1 ZINC001025763500 1188048741 /nfs/dbraw/zinc/04/87/41/1188048741.db2.gz KBMOBUSQDZLUAU-BSDSXHPESA-N 0 3 386.496 0.747 20 0 GCADHN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909322927 1188051858 /nfs/dbraw/zinc/05/18/58/1188051858.db2.gz FVOGBPPUSZJQNH-IAGOWNOFSA-N 0 3 380.533 0.989 20 0 GCADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N1CCNC[C@@H]1C ZINC000415345016 1188054883 /nfs/dbraw/zinc/05/48/83/1188054883.db2.gz OXANOCUUUNVFJG-HNNXBMFYSA-N 0 3 389.500 0.596 20 0 GCADHN C[C@@H]1CNCCN1C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000415343311 1188057833 /nfs/dbraw/zinc/05/78/33/1188057833.db2.gz LCNICXDEZDNEFN-MRXNPFEDSA-N 0 3 389.500 0.072 20 0 GCADHN O=C(CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)NCCN1CCCCC1 ZINC000909324517 1188058051 /nfs/dbraw/zinc/05/80/51/1188058051.db2.gz JLUIQYDMQKABEV-INIZCTEOSA-N 0 3 390.484 0.993 20 0 GCADHN O=C(CNC(=O)[C@H]1CCCCN1C(=O)c1ccco1)NCCN1CCCCC1 ZINC000909324519 1188059250 /nfs/dbraw/zinc/05/92/50/1188059250.db2.gz JLUIQYDMQKABEV-MRXNPFEDSA-N 0 3 390.484 0.993 20 0 GCADHN O=C(CNC(=O)c1ccccc1OC(F)F)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377513718 1188060562 /nfs/dbraw/zinc/06/05/62/1188060562.db2.gz VUBOPCKYLHJENM-CHWSQXEVSA-N 0 3 383.395 0.997 20 0 GCADHN CNC(=O)COc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000377514100 1188060787 /nfs/dbraw/zinc/06/07/87/1188060787.db2.gz XSGCZGIIWQWZRM-HUUCEWRRSA-N 0 3 377.441 0.413 20 0 GCADHN O=C(CNC(=O)c1cc(F)ccc1N1CCOCC1)NCCN1CCCCC1 ZINC000909323257 1188065220 /nfs/dbraw/zinc/06/52/20/1188065220.db2.gz PEOOVYUBRYYISJ-UHFFFAOYSA-N 0 3 392.475 0.994 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)CC1 ZINC000377570858 1188077142 /nfs/dbraw/zinc/07/71/42/1188077142.db2.gz YVWPNLYXLUMBFQ-INIZCTEOSA-N 0 3 396.557 0.701 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCc3cnccn3)c2)CC1 ZINC000472801770 1188077433 /nfs/dbraw/zinc/07/74/33/1188077433.db2.gz FDXBQINUKQZPHU-UHFFFAOYSA-N 0 3 382.468 0.916 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377580882 1188080391 /nfs/dbraw/zinc/08/03/91/1188080391.db2.gz JHCWRXQMWNRPST-HOTGVXAUSA-N 0 3 396.513 0.599 20 0 GCADHN COCCN1CC[C@H](NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C1 ZINC000377587476 1188082035 /nfs/dbraw/zinc/08/20/35/1188082035.db2.gz XLVAQVAKLIDGNT-HNNXBMFYSA-N 0 3 384.436 0.461 20 0 GCADHN O=C(CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)NCCN1CCCCC1 ZINC000909324281 1188084522 /nfs/dbraw/zinc/08/45/22/1188084522.db2.gz CHRJEPPVYVKDAH-UHFFFAOYSA-N 0 3 399.495 0.883 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000377650978 1188094280 /nfs/dbraw/zinc/09/42/80/1188094280.db2.gz CKOFAPXCNAAPDG-OAHLLOKOSA-N 0 3 382.486 0.227 20 0 GCADHN CC(C)[C@@]1(CO)CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000377683952 1188104349 /nfs/dbraw/zinc/10/43/49/1188104349.db2.gz VMROQDFQAJRVSO-KXBFYZLASA-N 0 3 397.541 0.722 20 0 GCADHN COCCOc1ccc(CNC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)o1 ZINC000893032844 1188109452 /nfs/dbraw/zinc/10/94/52/1188109452.db2.gz VKPYXAWYRDLAOL-UHFFFAOYSA-N 0 3 398.485 0.981 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000377723672 1188117500 /nfs/dbraw/zinc/11/75/00/1188117500.db2.gz HJVIEEKCZRZYMM-LSDHHAIUSA-N 0 3 375.425 0.700 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCC(F)(F)CN)c2)CC1 ZINC000415614570 1188128818 /nfs/dbraw/zinc/12/88/18/1188128818.db2.gz PEESXQUSVLMIOU-UHFFFAOYSA-N 0 3 383.443 0.866 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)C1 ZINC000377759960 1188131457 /nfs/dbraw/zinc/13/14/57/1188131457.db2.gz JTNUZTPOHZLDJJ-CABCVRRESA-N 0 3 376.457 0.820 20 0 GCADHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000866881492 1188135908 /nfs/dbraw/zinc/13/59/08/1188135908.db2.gz AFZWRXMXMOMISZ-HNNXBMFYSA-N 0 3 397.520 0.848 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000415693279 1188140632 /nfs/dbraw/zinc/14/06/32/1188140632.db2.gz HTKBNRTVMGAUSO-RISCZKNCSA-N 0 3 377.445 0.478 20 0 GCADHN O=C(CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000377803027 1188141335 /nfs/dbraw/zinc/14/13/35/1188141335.db2.gz QJMHRIVJWQBAOO-QWHCGFSZSA-N 0 3 385.424 0.731 20 0 GCADHN Cn1nc(NC(=O)C(=O)NC[C@H]2NCCc3ccccc32)cc1OC(F)F ZINC000415706843 1188145376 /nfs/dbraw/zinc/14/53/76/1188145376.db2.gz JEKSAEAYCXJVFI-GFCCVEGCSA-N 0 3 379.367 0.963 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000472877861 1188153548 /nfs/dbraw/zinc/15/35/48/1188153548.db2.gz LBSWEPPZNQBDRZ-UHFFFAOYSA-N 0 3 376.457 0.516 20 0 GCADHN Cc1noc2ncc(S(=O)(=O)NCCCN3CCC[C@@H](C(N)=O)C3)cc12 ZINC000590301007 1189367695 /nfs/dbraw/zinc/36/76/95/1189367695.db2.gz ROXIZXKYPKRYCH-GFCCVEGCSA-N 0 3 381.458 0.397 20 0 GCADHN C[C@@H](CNC(=O)N1CCNC(=O)[C@@H]1c1cccs1)CN1CCN(C)CC1 ZINC000377917520 1189370494 /nfs/dbraw/zinc/37/04/94/1189370494.db2.gz QHVNNGLVGQJKTR-HOCLYGCPSA-N 0 3 379.530 0.814 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@H]2CNCCO2)c(OCC(F)(F)F)c1 ZINC000415861122 1189384840 /nfs/dbraw/zinc/38/48/40/1189384840.db2.gz ICXDOQMKZKBFHF-LLVKDONJSA-N 0 3 375.347 0.979 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)c(OCC(F)(F)F)c1 ZINC000415861124 1189385092 /nfs/dbraw/zinc/38/50/92/1189385092.db2.gz ICXDOQMKZKBFHF-NSHDSACASA-N 0 3 375.347 0.979 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@@H]2CNCCO2)cccc1OCC(F)(F)F ZINC000415862405 1189385618 /nfs/dbraw/zinc/38/56/18/1189385618.db2.gz JYZNNJONNAQQRJ-NSHDSACASA-N 0 3 375.347 0.979 20 0 GCADHN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NC[C@H]3CNCCO3)cc2F)n1 ZINC000415857998 1189386672 /nfs/dbraw/zinc/38/66/72/1189386672.db2.gz DHXXXHDYXPGYQU-CQSZACIVSA-N 0 3 375.404 0.671 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@H]2CNCCO2)c(OC[C@H]2CCCO2)c1 ZINC000415858328 1189386803 /nfs/dbraw/zinc/38/68/03/1189386803.db2.gz DQGGIYSACUFZPT-HUUCEWRRSA-N 0 3 377.441 0.596 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000415869973 1189389859 /nfs/dbraw/zinc/38/98/59/1189389859.db2.gz RWDMBPMZTPTCJX-CABCVRRESA-N 0 3 377.441 0.678 20 0 GCADHN COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)c1OC(C)C ZINC000415871523 1189393773 /nfs/dbraw/zinc/39/37/73/1189393773.db2.gz VGWCIUFJROZGTM-LBPRGKRZSA-N 0 3 379.413 0.304 20 0 GCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000472925892 1189402156 /nfs/dbraw/zinc/40/21/56/1189402156.db2.gz MQHYPAYZGVMIHJ-ZWKOTPCHSA-N 0 3 396.580 0.254 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCCN3c4ccccc4C[C@H]3C2)n1 ZINC000378005456 1189404783 /nfs/dbraw/zinc/40/47/83/1189404783.db2.gz NBCADLYKTCBRMJ-INIZCTEOSA-N 0 3 383.500 0.581 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415981688 1189412727 /nfs/dbraw/zinc/41/27/27/1189412727.db2.gz CKQZZIXWCVZVGS-NEPJUHHUSA-N 0 3 378.429 0.746 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)o1 ZINC000378114703 1189417731 /nfs/dbraw/zinc/41/77/31/1189417731.db2.gz UMYWBDQZLZYCBC-AWEZNQCLSA-N 0 3 385.486 0.855 20 0 GCADHN CN1CCN(CCCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000041361739 1189435584 /nfs/dbraw/zinc/43/55/84/1189435584.db2.gz XCZHBGZTDIOCJY-UHFFFAOYSA-N 0 3 376.457 0.289 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378228490 1189448585 /nfs/dbraw/zinc/44/85/85/1189448585.db2.gz NEQYRAXVLSWZMA-IUODEOHRSA-N 0 3 384.502 0.949 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cc1 ZINC000041599366 1189452484 /nfs/dbraw/zinc/45/24/84/1189452484.db2.gz RHBSWUFYKZQLAE-AWEZNQCLSA-N 0 3 396.513 0.912 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000041640730 1189455163 /nfs/dbraw/zinc/45/51/63/1189455163.db2.gz RNIAFYBFXPKLOL-INIZCTEOSA-N 0 3 384.484 0.953 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000041640221 1189455232 /nfs/dbraw/zinc/45/52/32/1189455232.db2.gz VKAGVDPRWBHHHX-AWEZNQCLSA-N 0 3 375.473 0.726 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000041640627 1189455404 /nfs/dbraw/zinc/45/54/04/1189455404.db2.gz BTHCUGCCZCCQHS-CQSZACIVSA-N 0 3 378.473 0.785 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000041640223 1189455540 /nfs/dbraw/zinc/45/55/40/1189455540.db2.gz VKAGVDPRWBHHHX-CQSZACIVSA-N 0 3 375.473 0.726 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000041717973 1189457398 /nfs/dbraw/zinc/45/73/98/1189457398.db2.gz IMWZEOSMCSEQOQ-UHFFFAOYSA-N 0 3 396.513 0.172 20 0 GCADHN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)[C@@H]1CN2CCN1CCC2 ZINC000378302989 1189469269 /nfs/dbraw/zinc/46/92/69/1189469269.db2.gz CXDYGDUEWYGNLG-HNNXBMFYSA-N 0 3 380.470 0.261 20 0 GCADHN CN1C[C@H](NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)[C@H](c2ccccc2)C1 ZINC000378304710 1189470881 /nfs/dbraw/zinc/47/08/81/1189470881.db2.gz ICADSIUWQNOMNQ-KBPBESRZSA-N 0 3 396.451 0.509 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 ZINC000274373411 1189471602 /nfs/dbraw/zinc/47/16/02/1189471602.db2.gz BPVPZJIYJRFDBO-UHFFFAOYSA-N 0 3 384.502 0.971 20 0 GCADHN COC(=O)[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)Cc1ccccc1OC ZINC000378309486 1189471787 /nfs/dbraw/zinc/47/17/87/1189471787.db2.gz NUSXBJANKMOZKO-IAGOWNOFSA-N 0 3 375.469 0.533 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC[C@@H]1N1CCN(C)CC1 ZINC000378314622 1189475126 /nfs/dbraw/zinc/47/51/26/1189475126.db2.gz HSALOJVUNAHISX-ZBFHGGJFSA-N 0 3 398.529 0.427 20 0 GCADHN Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)C2)cn1 ZINC000893218448 1189493428 /nfs/dbraw/zinc/49/34/28/1189493428.db2.gz BXQFVQGNUJSPJR-RYQLBKOJSA-N 0 3 376.505 0.630 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(CN3CCNC3=O)CC2)CC1 ZINC000893237264 1189507798 /nfs/dbraw/zinc/50/77/98/1189507798.db2.gz GPNSBTOERKCMLO-KRWDZBQOSA-N 0 3 394.564 0.707 20 0 GCADHN COCCO[C@]12CCC[C@@]1(NC(=O)NC[C@H](C)CN1CCN(C)CC1)CCO2 ZINC000893237504 1189508315 /nfs/dbraw/zinc/50/83/15/1189508315.db2.gz NGSLBNJSGUOUME-DFQSSKMNSA-N 0 3 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ZINC000660001184 1189520022 /nfs/dbraw/zinc/52/00/22/1189520022.db2.gz AEWGKYUHAPFBJL-CABCVRRESA-N 0 3 382.530 0.105 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000378499224 1189520075 /nfs/dbraw/zinc/52/00/75/1189520075.db2.gz PKKGMRAHIWPWHU-LJQANCHMSA-N 0 3 399.605 0.473 20 0 GCADHN CCCN(CCN1CCCC1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000367435274 1189524525 /nfs/dbraw/zinc/52/45/25/1189524525.db2.gz MSBGAGZENNYEKJ-HNNXBMFYSA-N 0 3 398.529 0.486 20 0 GCADHN CCN(CC)CC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000378518738 1189525019 /nfs/dbraw/zinc/52/50/19/1189525019.db2.gz NLTSQKVSJIUNMZ-UHFFFAOYSA-N 0 3 383.470 0.289 20 0 GCADHN O=C(NC[C@@H]1COC2(CCOCC2)O1)N1CCN(CC2CCOCC2)CC1 ZINC000378517754 1189525182 /nfs/dbraw/zinc/52/51/82/1189525182.db2.gz JNFZYGSGMPGZFL-QGZVFWFLSA-N 0 3 383.489 0.662 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000416493594 1189532782 /nfs/dbraw/zinc/53/27/82/1189532782.db2.gz FMXJVWUVRRQXFL-CQSZACIVSA-N 0 3 395.481 0.170 20 0 GCADHN COc1ccc(S(=O)(=O)NC(C)(C)CN(C)C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000416508865 1189536287 /nfs/dbraw/zinc/53/62/87/1189536287.db2.gz PKYWMHULYDVBCP-QGZVFWFLSA-N 0 3 398.485 0.368 20 0 GCADHN COCC1(O)CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000660034350 1189544245 /nfs/dbraw/zinc/54/42/45/1189544245.db2.gz FJMJODHDOFSDBA-SFHVURJKSA-N 0 3 389.496 0.719 20 0 GCADHN CN1CCC(CNS(=O)(=O)c2cn3c(n2)CCCC3)(N2CCOCC2)CC1 ZINC000416595020 1189558918 /nfs/dbraw/zinc/55/89/18/1189558918.db2.gz XSRWLSAQBMMGPC-UHFFFAOYSA-N 0 3 397.545 0.294 20 0 GCADHN COC(=O)c1cn([C@@H]2CCN(CCC(=O)Nc3sccc3C(N)=O)C2)nn1 ZINC000363907432 1189566756 /nfs/dbraw/zinc/56/67/56/1189566756.db2.gz LLBOCWVXSIASOD-SNVBAGLBSA-N 0 3 392.441 0.501 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CC2)C[C@H](C)O1 ZINC000363914307 1189573630 /nfs/dbraw/zinc/57/36/30/1189573630.db2.gz QXUDUCACKYUHFU-MVJTYMMSSA-N 0 3 396.532 0.940 20 0 GCADHN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000152993152 1189575404 /nfs/dbraw/zinc/57/54/04/1189575404.db2.gz IGIIIVDOBLLSNF-DOTOQJQBSA-N 0 3 378.517 0.836 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000247120424 1189576276 /nfs/dbraw/zinc/57/62/76/1189576276.db2.gz PRGHOVAVKGBUAD-DOTOQJQBSA-N 0 3 376.501 0.543 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)cn1C ZINC000330224791 1189583995 /nfs/dbraw/zinc/58/39/95/1189583995.db2.gz NVOZWXIFADSYDH-HNNXBMFYSA-N 0 3 381.502 0.188 20 0 GCADHN CN(C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)c1ccco1 ZINC000416809639 1189586011 /nfs/dbraw/zinc/58/60/11/1189586011.db2.gz JIJXXDSBLGCNDY-HOTGVXAUSA-N 0 3 377.489 0.736 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000108873395 1189591781 /nfs/dbraw/zinc/59/17/81/1189591781.db2.gz TYFBUDFJNNQFRH-ROUUACIJSA-N 0 3 394.560 0.888 20 0 GCADHN CCO[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@]12CCCO2 ZINC000363977786 1189599851 /nfs/dbraw/zinc/59/98/51/1189599851.db2.gz VEFGJTRGSNHMDS-MBOZVWFJSA-N 0 3 394.516 0.663 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C[C@@H](C)O1 ZINC000416949724 1189600249 /nfs/dbraw/zinc/60/02/49/1189600249.db2.gz QQMZPXQFLNZXKF-KURKYZTESA-N 0 3 395.548 0.339 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N3C[C@H](C)OC4(CCC4)C3)C2)CC1 ZINC000584599525 1189610495 /nfs/dbraw/zinc/61/04/95/1189610495.db2.gz ZUPKXAYPJXHNTJ-ROUUACIJSA-N 0 3 392.544 0.783 20 0 GCADHN COC(=O)NCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000364039628 1189626077 /nfs/dbraw/zinc/62/60/77/1189626077.db2.gz SHSWWAWMZMLVSU-INIZCTEOSA-N 0 3 375.473 0.798 20 0 GCADHN CCOC(=O)CSc1nnc([N-]C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)s1 ZINC000563057385 1189627083 /nfs/dbraw/zinc/62/70/83/1189627083.db2.gz UWABXSPIKNFAKG-SECBINFHSA-N 0 3 397.486 0.789 20 0 GCADHN CNS(=O)(=O)c1ccc(CN2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000660165887 1189628580 /nfs/dbraw/zinc/62/85/80/1189628580.db2.gz WUVRIZRQNNRCNI-UHFFFAOYSA-N 0 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ZINC000584768639 1189657911 /nfs/dbraw/zinc/65/79/11/1189657911.db2.gz QZFNLXJDDHGKFJ-IAGOWNOFSA-N 0 3 382.549 0.933 20 0 GCADHN O=C(NCCNC(=O)N1CCCC(N2CCNC2=O)C1)c1ccccc1F ZINC000364121244 1189664418 /nfs/dbraw/zinc/66/44/18/1189664418.db2.gz KYWDCWUIYIPKEE-ZDUSSCGKSA-N 0 3 377.420 0.755 20 0 GCADHN COC(=O)C(C)(C)c1csc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000584792677 1189669458 /nfs/dbraw/zinc/66/94/58/1189669458.db2.gz OUIXFHWGFRNRMX-VHSXEESVSA-N 0 3 381.458 0.369 20 0 GCADHN O=C(C(=O)N1CCN(C[C@H]2CCOC2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000582108067 1189677068 /nfs/dbraw/zinc/67/70/68/1189677068.db2.gz JORPBOHXXZFQBI-QZTJIDSGSA-N 0 3 378.517 0.254 20 0 GCADHN C[C@H]1CN(CCC2CCN(C(=O)NCCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000364164206 1189686546 /nfs/dbraw/zinc/68/65/46/1189686546.db2.gz BQHAOQBAEHHUKF-GJZGRUSLSA-N 0 3 395.504 0.459 20 0 GCADHN C[C@H]1NCCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)[C@@H]1C ZINC000417624974 1189692807 /nfs/dbraw/zinc/69/28/07/1189692807.db2.gz OZIYTAUWCKANLP-ZIAGYGMSSA-N 0 3 384.502 0.191 20 0 GCADHN O=C(CN1CC[C@H]2OCCN[C@@H]2C1)NCC1(N2CCOCC2)CCCCC1 ZINC000579015766 1189718822 /nfs/dbraw/zinc/71/88/22/1189718822.db2.gz AKMSRSCAJVOXPY-QZTJIDSGSA-N 0 3 380.533 0.200 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)nn1 ZINC000500125709 1189721190 /nfs/dbraw/zinc/72/11/90/1189721190.db2.gz VCHGJKIVFXJANQ-INIZCTEOSA-N 0 3 390.444 0.562 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000660342455 1189722164 /nfs/dbraw/zinc/72/21/64/1189722164.db2.gz BIVVHASHVTVKOF-SJLPKXTDSA-N 0 3 376.501 0.171 20 0 GCADHN CCN1C(=O)[C@H]2CN(CC(=O)NC[C@H](c3ccccc3)N(C)C)CCN2C1=O ZINC000364281549 1189730780 /nfs/dbraw/zinc/73/07/80/1189730780.db2.gz MKZMCWBSQVKMOV-IAGOWNOFSA-N 0 3 387.484 0.374 20 0 GCADHN C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000418163640 1189731118 /nfs/dbraw/zinc/73/11/18/1189731118.db2.gz GNUKLJDQOZDPMY-NWDGAFQWSA-N 0 3 390.456 0.930 20 0 GCADHN COc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CNCCO3)C2=O)c(OC)c1 ZINC000418192774 1189734519 /nfs/dbraw/zinc/73/45/19/1189734519.db2.gz CCSLWSFFVWXVKF-HOTGVXAUSA-N 0 3 392.456 0.092 20 0 GCADHN COc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CNCCO3)C2=O)c(OC)c1 ZINC000418192775 1189734701 /nfs/dbraw/zinc/73/47/01/1189734701.db2.gz CCSLWSFFVWXVKF-HZPDHXFCSA-N 0 3 392.456 0.092 20 0 GCADHN C[C@]1(CNc2nc(NC[C@]3(C)CCOC3)nc(N3CCOCC3)n2)CCOC1 ZINC000500295222 1189762858 /nfs/dbraw/zinc/76/28/58/1189762858.db2.gz BYZNCRZFZOYGJO-KDURUIRLSA-N 0 3 392.504 0.229 20 0 GCADHN COCCCCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105288269 1189766512 /nfs/dbraw/zinc/76/65/12/1189766512.db2.gz GQZXDHJNLMTFJN-WKULXVSPSA-N 0 3 375.473 0.601 20 0 GCADHN CC[C@H](C)CNCc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001105289859 1189768811 /nfs/dbraw/zinc/76/88/11/1189768811.db2.gz KGXKBXCGTHEVMR-DFEHZGFQSA-N 0 3 377.489 0.849 20 0 GCADHN CCN1C[C@H](CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1=O ZINC000652051022 1189773323 /nfs/dbraw/zinc/77/33/23/1189773323.db2.gz SEEMRNILMHQKDE-AWEZNQCLSA-N 0 3 376.457 0.680 20 0 GCADHN CCCCC(=O)N1CSC[C@H]1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909325830 1189788006 /nfs/dbraw/zinc/78/80/06/1189788006.db2.gz RXIWXKFONAXQKO-HNNXBMFYSA-N 0 3 384.546 0.796 20 0 GCADHN O=C(CCn1cnc2ccccc2c1=O)NCC(=O)NCCN1CCCCC1 ZINC000909326623 1189794175 /nfs/dbraw/zinc/79/41/75/1189794175.db2.gz DOYGHABRRMOCNV-UHFFFAOYSA-N 0 3 385.468 0.505 20 0 GCADHN O=C(CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)NCCN1CCCCC1 ZINC000909327356 1189795608 /nfs/dbraw/zinc/79/56/08/1189795608.db2.gz CKFHPMDJQFWWPX-OAHLLOKOSA-N 0 3 376.457 0.346 20 0 GCADHN O=C(CNC(=O)Cc1cc(F)cc2c1OCOC2)NCCN1CCCCC1 ZINC000909327429 1189795818 /nfs/dbraw/zinc/79/58/18/1189795818.db2.gz LWIDUIHDDCCTSP-UHFFFAOYSA-N 0 3 379.432 0.953 20 0 GCADHN COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(CC3CCOCC3)CC1)CC2 ZINC000364426458 1189798967 /nfs/dbraw/zinc/79/89/67/1189798967.db2.gz NDGGPBUPOVLBCC-MRXNPFEDSA-N 0 3 392.504 0.493 20 0 GCADHN O=C(NCCCn1nc2n(c1=O)CCCC2)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660432704 1189805336 /nfs/dbraw/zinc/80/53/36/1189805336.db2.gz VVDJPPYOBNJULU-MRXNPFEDSA-N 0 3 392.504 0.324 20 0 GCADHN O=C(NC[C@]1(N2CCOCC2)CCSC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000660446785 1189820989 /nfs/dbraw/zinc/82/09/89/1189820989.db2.gz JUZOGJSFPCXKKJ-PKOBYXMFSA-N 0 3 398.573 0.747 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)CC1 ZINC000511716894 1189838096 /nfs/dbraw/zinc/83/80/96/1189838096.db2.gz SXIMNPCRTUKJLL-UHFFFAOYSA-N 0 3 389.456 0.214 20 0 GCADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000660470267 1189842444 /nfs/dbraw/zinc/84/24/44/1189842444.db2.gz KPJNKMCQAPIHFE-QGZVFWFLSA-N 0 3 389.500 0.449 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C[C@@H](CO)O1 ZINC000660469729 1189842992 /nfs/dbraw/zinc/84/29/92/1189842992.db2.gz BQBAEQOGGDUJGP-NXHRZFHOSA-N 0 3 375.469 0.328 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C[C@H](C)O1 ZINC000660470702 1189844313 /nfs/dbraw/zinc/84/43/13/1189844313.db2.gz XUQGSQIILULVJS-UHOSZYNNSA-N 0 3 389.496 0.982 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)C1 ZINC000660470745 1189844574 /nfs/dbraw/zinc/84/45/74/1189844574.db2.gz ZCCFAFWHMZXRHZ-MSOLQXFVSA-N 0 3 386.496 0.833 20 0 GCADHN C[C@@H](NC(=O)CN1CCC[C@H](N2CCOCC2)CC1)C(=O)N1CCCCC1 ZINC000660471801 1189845496 /nfs/dbraw/zinc/84/54/96/1189845496.db2.gz DWNFHNNBEPOXEK-MSOLQXFVSA-N 0 3 380.533 0.690 20 0 GCADHN COc1nccc(CNC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n1 ZINC001026969005 1189896996 /nfs/dbraw/zinc/89/69/96/1189896996.db2.gz JSFOSVJQPJWAEG-NXNVCVFFSA-N 0 3 376.457 0.475 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NCCS(=O)(=O)N2CCCC2)CC1 ZINC000893397363 1189899488 /nfs/dbraw/zinc/89/94/88/1189899488.db2.gz ANKBWFDYRNFLCQ-UHFFFAOYSA-N 0 3 390.550 0.601 20 0 GCADHN Cn1nccc1CCN1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C(C)(C)C1 ZINC000974876589 1189904287 /nfs/dbraw/zinc/90/42/87/1189904287.db2.gz IQFRQQFVAJHDTL-DZJNRPSUSA-N 0 3 376.501 0.841 20 0 GCADHN CN1C[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@@H]2C1 ZINC000644813419 1189905534 /nfs/dbraw/zinc/90/55/34/1189905534.db2.gz GDZISFBWXIUMDB-DOTOQJQBSA-N 0 3 379.482 0.484 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc(CC(N)=O)cc2)CC1 ZINC000643171433 1189934282 /nfs/dbraw/zinc/93/42/82/1189934282.db2.gz UNGNHHHYWKXTDX-QGZVFWFLSA-N 0 3 387.484 0.162 20 0 GCADHN O=C(Cn1nc2n(c1=O)CCCC2)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000651605852 1189935756 /nfs/dbraw/zinc/93/57/56/1189935756.db2.gz XBIBVYOTGAWUQN-UHFFFAOYSA-N 0 3 385.468 0.977 20 0 GCADHN CCOC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000049278219 1189954652 /nfs/dbraw/zinc/95/46/52/1189954652.db2.gz VDCPBWKIJZYVKO-UHFFFAOYSA-N 0 3 376.457 0.556 20 0 GCADHN O=C(Cn1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cn1)NCCO ZINC000651659126 1189961849 /nfs/dbraw/zinc/96/18/49/1189961849.db2.gz WYRLHKKKXDSPST-NEPJUHHUSA-N 0 3 378.351 0.678 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](CNC(=O)NCC2CCN(Cc3ccncc3)CC2)O1 ZINC000660895076 1189964338 /nfs/dbraw/zinc/96/43/38/1189964338.db2.gz MUKAVJZXWRIQRN-SJORKVTESA-N 0 3 375.473 0.626 20 0 GCADHN O=C(CCc1cn[nH]n1)N1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]21 ZINC000975779862 1189974472 /nfs/dbraw/zinc/97/44/72/1189974472.db2.gz ORGYXXAVKYWESC-CRNXPOROSA-N 0 3 383.456 0.714 20 0 GCADHN CCS(=O)(=O)NCCCN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661177763 1190007381 /nfs/dbraw/zinc/00/73/81/1190007381.db2.gz SCFTWEKUHLIESD-IYBDPMFKSA-N 0 3 379.482 0.433 20 0 GCADHN CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001098158007 1190009118 /nfs/dbraw/zinc/00/91/18/1190009118.db2.gz CYKNRIMJKMWZHU-YUELXQCFSA-N 0 3 378.473 0.607 20 0 GCADHN CCN1CCN(CCC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)CC1 ZINC000473097402 1190010176 /nfs/dbraw/zinc/01/01/76/1190010176.db2.gz MUZOBNHUSAOIQL-ROUUACIJSA-N 0 3 392.523 0.875 20 0 GCADHN Cn1cc(N2CC[C@H](N3C[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4C3)C2=O)cn1 ZINC000661176390 1190010698 /nfs/dbraw/zinc/01/06/98/1190010698.db2.gz HFBLOJIHIQETQN-KSZLIROESA-N 0 3 393.447 0.642 20 0 GCADHN CN(CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000662751260 1190017079 /nfs/dbraw/zinc/01/70/79/1190017079.db2.gz XOGJMDLJIFERLA-UHFFFAOYSA-N 0 3 399.860 0.231 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000662751271 1190017692 /nfs/dbraw/zinc/01/76/92/1190017692.db2.gz YBLFCZWTJMXLQL-UHFFFAOYSA-N 0 3 396.856 0.917 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)n1 ZINC000662751250 1190017717 /nfs/dbraw/zinc/01/77/17/1190017717.db2.gz XCDFLPQJDPJWOW-GFCCVEGCSA-N 0 3 376.461 0.621 20 0 GCADHN COc1cc2c(cc1OC)CN(CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)CC2 ZINC000662749586 1190018394 /nfs/dbraw/zinc/01/83/94/1190018394.db2.gz FEUGRBKVOOVOLO-UHFFFAOYSA-N 0 3 387.440 0.333 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000661237277 1190019729 /nfs/dbraw/zinc/01/97/29/1190019729.db2.gz AIHWNJFMCSOOJB-OAGGEKHMSA-N 0 3 377.489 0.134 20 0 GCADHN COc1ccc(C(=O)NCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1OC ZINC000647708100 1190025802 /nfs/dbraw/zinc/02/58/02/1190025802.db2.gz ISHHYFHLJPUTHS-LSDHHAIUSA-N 0 3 377.441 0.101 20 0 GCADHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000647708772 1190032002 /nfs/dbraw/zinc/03/20/02/1190032002.db2.gz NUXRWQSVYLSGOH-HZPDHXFCSA-N 0 3 393.509 0.717 20 0 GCADHN COc1ccc(NC(=O)C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)c(OC)n1 ZINC000651811940 1190032744 /nfs/dbraw/zinc/03/27/44/1190032744.db2.gz CNUOOSFFCMJTJQ-UHFFFAOYSA-N 0 3 388.428 0.561 20 0 GCADHN NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC001648928906 1190038012 /nfs/dbraw/zinc/03/80/12/1190038012.db2.gz YXUGNIXGQBWPIE-DLBZAZTESA-N 0 3 394.541 0.772 20 0 GCADHN Cc1c(CN)c(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)nn1C ZINC000662840513 1190049569 /nfs/dbraw/zinc/04/95/69/1190049569.db2.gz BUDGEHVJHXIBNH-UHFFFAOYSA-N 0 3 398.514 0.505 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCSC(C)(C)CC2)CC1 ZINC000661475648 1190056497 /nfs/dbraw/zinc/05/64/97/1190056497.db2.gz FWBOIZUQTWQNOZ-OAHLLOKOSA-N 0 3 396.557 0.496 20 0 GCADHN C[C@H]1CCCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H]1CCO ZINC000661483571 1190056986 /nfs/dbraw/zinc/05/69/86/1190056986.db2.gz CGPDGXGVNLHQTL-DLBZAZTESA-N 0 3 382.549 0.528 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(F)cc1Cl ZINC000595278170 1190069384 /nfs/dbraw/zinc/06/93/84/1190069384.db2.gz FHLKJXFLSKFFIR-NURSFMCSSA-N 0 3 382.823 0.427 20 0 GCADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246482739 1193721326 /nfs/dbraw/zinc/72/13/26/1193721326.db2.gz AGCUTBHFUIMNDW-IAGOWNOFSA-N 0 3 384.488 0.517 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCNC(=O)CC1CCCCC1 ZINC000663902308 1193722401 /nfs/dbraw/zinc/72/24/01/1193722401.db2.gz RHFAITDNXWWLQS-UHFFFAOYSA-N 0 3 383.537 0.734 20 0 GCADHN COC[C@@H]1CCCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000411023492 1193723454 /nfs/dbraw/zinc/72/34/54/1193723454.db2.gz YLWBDBGTKUIDOE-QGZVFWFLSA-N 0 3 394.516 0.028 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC000411025958 1193723609 /nfs/dbraw/zinc/72/36/09/1193723609.db2.gz NBHMDUGKNILCTN-CYBMUJFWSA-N 0 3 396.429 0.972 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3ncccc3F)CC2)C1 ZINC000411025904 1193723629 /nfs/dbraw/zinc/72/36/29/1193723629.db2.gz MUVHGOQGUSIUBE-HNNXBMFYSA-N 0 3 377.464 0.810 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3ncccc3F)CC2)C1 ZINC000411025905 1193723917 /nfs/dbraw/zinc/72/39/17/1193723917.db2.gz MUVHGOQGUSIUBE-OAHLLOKOSA-N 0 3 377.464 0.810 20 0 GCADHN C[C@@H]1CN(CCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@@H](C)CO1 ZINC000663915684 1193725474 /nfs/dbraw/zinc/72/54/74/1193725474.db2.gz GWXHHYCMVQBNIW-BBWFWOEESA-N 0 3 383.537 0.338 20 0 GCADHN CC(=O)N1CCN(c2ccccc2CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000663909385 1193725807 /nfs/dbraw/zinc/72/58/07/1193725807.db2.gz JFYZHEQNVYWMNL-OALUTQOASA-N 0 3 389.500 0.171 20 0 GCADHN COc1cccc([C@@H](CNC(=O)NCCN2CCNC(=O)C2)N2CCCC2)c1 ZINC000512695983 1193734692 /nfs/dbraw/zinc/73/46/92/1193734692.db2.gz XMPXNYRJXNYYRF-GOSISDBHSA-N 0 3 389.500 0.563 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N2CC(S(C)(=O)=O)C2)c1 ZINC000663955858 1193738756 /nfs/dbraw/zinc/73/87/56/1193738756.db2.gz HKNANLURRWTJJR-UHFFFAOYSA-N 0 3 399.513 0.582 20 0 GCADHN O=C(Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000411230720 1193739038 /nfs/dbraw/zinc/73/90/38/1193739038.db2.gz VYQIQXDTBMCJCM-QAPCUYQASA-N 0 3 386.452 0.937 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000152232969 1193743568 /nfs/dbraw/zinc/74/35/68/1193743568.db2.gz GDIOAMZGLDPYPP-GFCCVEGCSA-N 0 3 391.394 0.953 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(CCO)CC[C@@H]2c2cccc(F)c2)O1 ZINC001087456459 1193743680 /nfs/dbraw/zinc/74/36/80/1193743680.db2.gz YILVLAYWOXRUEW-UTRMSSBJSA-N 0 3 379.476 0.811 20 0 GCADHN C[C@H](CS(C)(=O)=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000433090249 1193748689 /nfs/dbraw/zinc/74/86/89/1193748689.db2.gz RHKAQSNAJOETTN-ZBFHGGJFSA-N 0 3 386.489 0.866 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000512749679 1193751193 /nfs/dbraw/zinc/75/11/93/1193751193.db2.gz NFBGANWLBRMYFS-AWEZNQCLSA-N 0 3 376.457 0.554 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(F)ccc2C(=O)OC)CC1 ZINC000512749053 1193751220 /nfs/dbraw/zinc/75/12/20/1193751220.db2.gz KISIYVFLNKSNLO-ZDUSSCGKSA-N 0 3 394.447 0.693 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C)cc2C(=O)OC)CC1 ZINC000512749506 1193751402 /nfs/dbraw/zinc/75/14/02/1193751402.db2.gz MKQXDXPYFJVHIT-HNNXBMFYSA-N 0 3 390.484 0.862 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)N1CCc2ccccc2C1 ZINC000419240226 1193754774 /nfs/dbraw/zinc/75/47/74/1193754774.db2.gz QZNRBGGFRUYDEI-RVKKMQEKSA-N 0 3 388.512 0.779 20 0 GCADHN CCN(C(=O)CN1CCC(CN2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000051957441 1193772847 /nfs/dbraw/zinc/77/28/47/1193772847.db2.gz SWIZNHTWOJYCKT-KRWDZBQOSA-N 0 3 387.546 0.066 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@H](n2cccn2)C1 ZINC000512809112 1193774581 /nfs/dbraw/zinc/77/45/81/1193774581.db2.gz SPSYVZFSYGKTEX-SFHVURJKSA-N 0 3 378.521 0.620 20 0 GCADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCN3CCN(C)CC3)C2)c1 ZINC000279960413 1193774869 /nfs/dbraw/zinc/77/48/69/1193774869.db2.gz MQQCBPWJBPCRAP-IBGZPJMESA-N 0 3 390.484 0.951 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1 ZINC000419266624 1193777134 /nfs/dbraw/zinc/77/71/34/1193777134.db2.gz HEOWFGHPPPMWCG-FQEVSTJZSA-N 0 3 396.491 0.951 20 0 GCADHN CS(=O)(=O)c1ccccc1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512829086 1193781871 /nfs/dbraw/zinc/78/18/71/1193781871.db2.gz SUBKSZYFMKOGLD-UHFFFAOYSA-N 0 3 398.529 0.602 20 0 GCADHN CCOc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000419296226 1193790430 /nfs/dbraw/zinc/79/04/30/1193790430.db2.gz RNEXYWRQAGCLHC-GXTWGEPZSA-N 0 3 379.457 0.939 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000473486513 1193793984 /nfs/dbraw/zinc/79/39/84/1193793984.db2.gz GNJBQCMQXBYREE-MRXNPFEDSA-N 0 3 399.499 0.407 20 0 GCADHN Cc1c(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cnn1CC(C)C ZINC000473485947 1193794489 /nfs/dbraw/zinc/79/44/89/1193794489.db2.gz BZRAIYIECDPTNW-HNNXBMFYSA-N 0 3 378.521 0.928 20 0 GCADHN CC(C)NS(=O)(=O)CCNC(=O)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000419304317 1193796665 /nfs/dbraw/zinc/79/66/65/1193796665.db2.gz URRZRZVMLTYSNM-INIZCTEOSA-N 0 3 398.529 0.370 20 0 GCADHN COc1cccc(C(=O)N2CCN(C(=O)C[C@H]3CNCCO3)CC2)c1OC ZINC000429924561 1193802306 /nfs/dbraw/zinc/80/23/06/1193802306.db2.gz ZACSAKNEOBBCMG-AWEZNQCLSA-N 0 3 377.441 0.367 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000419313977 1193806250 /nfs/dbraw/zinc/80/62/50/1193806250.db2.gz TZWPVMSEESOBEZ-HOCLYGCPSA-N 0 3 389.500 0.917 20 0 GCADHN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000473488475 1193810829 /nfs/dbraw/zinc/81/08/29/1193810829.db2.gz KOAORXSRQYXBJO-OAHLLOKOSA-N 0 3 389.500 0.435 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1cccc(OC(F)(F)F)c1 ZINC000419322568 1193815332 /nfs/dbraw/zinc/81/53/32/1193815332.db2.gz SMVRBDANQMCSDT-GWCFXTLKSA-N 0 3 375.347 0.867 20 0 GCADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000419327715 1193819632 /nfs/dbraw/zinc/81/96/32/1193819632.db2.gz ZWLJPPTYZLTXDK-MSOLQXFVSA-N 0 3 397.479 0.876 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000419330982 1193822901 /nfs/dbraw/zinc/82/29/01/1193822901.db2.gz RFBQOFWGBATGJZ-HIFRSBDPSA-N 0 3 391.468 0.736 20 0 GCADHN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000247875381 1193826406 /nfs/dbraw/zinc/82/64/06/1193826406.db2.gz YLJIQUUHKFXQLX-AKHDSKFASA-N 0 3 381.565 0.906 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000614343379 1193831701 /nfs/dbraw/zinc/83/17/01/1193831701.db2.gz UVQFSIWSYMQZHW-MRXNPFEDSA-N 0 3 383.514 0.856 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000500944405 1193836998 /nfs/dbraw/zinc/83/69/98/1193836998.db2.gz CMJGRBKXWNYJND-OAHLLOKOSA-N 0 3 394.497 0.666 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)CCN2C1=O ZINC000576293265 1193842830 /nfs/dbraw/zinc/84/28/30/1193842830.db2.gz OLBMUMLUNMCATP-OLZOCXBDSA-N 0 3 399.373 0.754 20 0 GCADHN COc1cc(SC)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576293147 1193842875 /nfs/dbraw/zinc/84/28/75/1193842875.db2.gz JQGCFXAYAVJVOE-JQWIXIFHSA-N 0 3 378.454 0.126 20 0 GCADHN O=C(NCc1ccc(NC(=O)c2cccnc2)cc1)C(=O)N1CCCNCC1 ZINC000419348189 1193844160 /nfs/dbraw/zinc/84/41/60/1193844160.db2.gz RPDUJIPALONGAN-UHFFFAOYSA-N 0 3 381.436 0.772 20 0 GCADHN COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000419350911 1193846513 /nfs/dbraw/zinc/84/65/13/1193846513.db2.gz GMLULRAOXZQBCO-IAGOWNOFSA-N 0 3 390.484 0.159 20 0 GCADHN Cc1nnc2n1C[C@H](C(=O)N1CC3(CCCC3)OC[C@H]1CN(C)C)N(C)C2 ZINC000620918363 1193860435 /nfs/dbraw/zinc/86/04/35/1193860435.db2.gz VIWORTFNQRDCSS-HZPDHXFCSA-N 0 3 376.505 0.502 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000419363755 1193865948 /nfs/dbraw/zinc/86/59/48/1193865948.db2.gz VOQVFVPMEQVKNF-YPMHNXCESA-N 0 3 380.514 0.910 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000419363754 1193866146 /nfs/dbraw/zinc/86/61/46/1193866146.db2.gz VOQVFVPMEQVKNF-WCQYABFASA-N 0 3 380.514 0.910 20 0 GCADHN COCCN(C(=O)CN(C)[C@@H](C)C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000030149071 1193893618 /nfs/dbraw/zinc/89/36/18/1193893618.db2.gz XTNRNHOVWJCDBK-AWEZNQCLSA-N 0 3 397.520 0.731 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NCCC3CC(O)C3)cn2)CC1 ZINC000433533522 1193897274 /nfs/dbraw/zinc/89/72/74/1193897274.db2.gz LCLLVIRZPBOXRN-UHFFFAOYSA-N 0 3 376.457 0.770 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C[C@H]1OC ZINC000419390513 1193900802 /nfs/dbraw/zinc/90/08/02/1193900802.db2.gz VERCIFVRSATSKC-BZUAXINKSA-N 0 3 392.504 0.610 20 0 GCADHN COCCOc1cc(C)ccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000052654492 1193903078 /nfs/dbraw/zinc/90/30/78/1193903078.db2.gz FFMRBYBSUFESJH-UHFFFAOYSA-N 0 3 392.500 0.712 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)N2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC000729040501 1193903855 /nfs/dbraw/zinc/90/38/55/1193903855.db2.gz CDCMXZZQZPSELF-UHFFFAOYSA-N 0 3 397.520 0.803 20 0 GCADHN CCCC1N=NC(=S)N1CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000726376101 1193905910 /nfs/dbraw/zinc/90/59/10/1193905910.db2.gz COOFLIIGFRLXFZ-CYBMUJFWSA-N 0 3 382.534 0.578 20 0 GCADHN C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1 ZINC000614445944 1193915622 /nfs/dbraw/zinc/91/56/22/1193915622.db2.gz JYLNLBLXSCDLDG-LBPRGKRZSA-N 0 3 381.477 0.804 20 0 GCADHN N[C@H](C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCOCC1 ZINC000261685255 1193923120 /nfs/dbraw/zinc/92/31/20/1193923120.db2.gz HDTIFNZFDJHXMY-SFHVURJKSA-N 0 3 395.525 0.957 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000261826650 1193928016 /nfs/dbraw/zinc/92/80/16/1193928016.db2.gz YPLRHCMUCJMESU-IBGZPJMESA-N 0 3 382.512 0.954 20 0 GCADHN N[C@H](C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C1CCOCC1 ZINC000261838107 1193928361 /nfs/dbraw/zinc/92/83/61/1193928361.db2.gz QKIUUVIOXNOUOF-SFHVURJKSA-N 0 3 394.903 0.859 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)cc1C ZINC000261868490 1193929408 /nfs/dbraw/zinc/92/94/08/1193929408.db2.gz SUHZSFRVLOHELK-SFHVURJKSA-N 0 3 395.525 0.890 20 0 GCADHN N[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 ZINC000261867267 1193929432 /nfs/dbraw/zinc/92/94/32/1193929432.db2.gz SRHYOBBSTUIJAE-MRXNPFEDSA-N 0 3 383.470 0.400 20 0 GCADHN COCCNC(=O)c1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1Cl ZINC000261956525 1193933301 /nfs/dbraw/zinc/93/33/01/1193933301.db2.gz AFURCEMNVRPVAM-HNNXBMFYSA-N 0 3 384.864 0.754 20 0 GCADHN CN(C)c1nc(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)cc(=O)[n-]1 ZINC000433699139 1193935993 /nfs/dbraw/zinc/93/59/93/1193935993.db2.gz KVKFTMXRFYKURY-ZDUSSCGKSA-N 0 3 375.429 0.802 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N(CCN(C)C)Cc2cccs2)nn1 ZINC000433715062 1193938376 /nfs/dbraw/zinc/93/83/76/1193938376.db2.gz WYQOLPHCWZXOMH-UHFFFAOYSA-N 0 3 380.474 0.786 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000262107925 1193939641 /nfs/dbraw/zinc/93/96/41/1193939641.db2.gz MMMMLZNBUPTLMW-LBTNJELSSA-N 0 3 390.484 0.974 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000262131401 1193940167 /nfs/dbraw/zinc/94/01/67/1193940167.db2.gz OBXIQVBDNZPKPH-JMSVASOKSA-N 0 3 383.518 0.790 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000262252711 1193943078 /nfs/dbraw/zinc/94/30/78/1193943078.db2.gz WZRJPQFOPNRXOC-KRWDZBQOSA-N 0 3 398.529 0.431 20 0 GCADHN C[C@H](Sc1nnnn1C1CC1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000513434563 1193950818 /nfs/dbraw/zinc/95/08/18/1193950818.db2.gz OEMXYKMEMFAXPN-JSGCOSHPSA-N 0 3 395.533 0.548 20 0 GCADHN O=C(CCNC(=O)c1n[nH]c2ccccc21)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000262552859 1193950849 /nfs/dbraw/zinc/95/08/49/1193950849.db2.gz VLVXDMFUVULWKR-CQSZACIVSA-N 0 3 398.467 0.106 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000513439846 1193951704 /nfs/dbraw/zinc/95/17/04/1193951704.db2.gz PGGZRUSEQCQGOR-CQSZACIVSA-N 0 3 395.504 0.156 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000513439518 1193951793 /nfs/dbraw/zinc/95/17/93/1193951793.db2.gz NWIUVYLZOSIUDB-AGIUHOORSA-N 0 3 392.422 0.502 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000513442916 1193952272 /nfs/dbraw/zinc/95/22/72/1193952272.db2.gz DSKXOHCKLHBECG-CHWSQXEVSA-N 0 3 392.422 0.456 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000513442923 1193952282 /nfs/dbraw/zinc/95/22/82/1193952282.db2.gz DSKXOHCKLHBECG-OLZOCXBDSA-N 0 3 392.422 0.456 20 0 GCADHN COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H](N)CCSC)CC2)cc1 ZINC000262696612 1193953930 /nfs/dbraw/zinc/95/39/30/1193953930.db2.gz DXKJWMOCYNYOOH-KRWDZBQOSA-N 0 3 394.541 0.650 20 0 GCADHN CCO[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C12CCC2 ZINC000513468969 1193954234 /nfs/dbraw/zinc/95/42/34/1193954234.db2.gz LXKRXEVQJXPJEU-IRXDYDNUSA-N 0 3 380.533 0.546 20 0 GCADHN CCS(=O)(=O)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000413830098 1193956066 /nfs/dbraw/zinc/95/60/66/1193956066.db2.gz HPAIEXQCDRISDO-ZWKOTPCHSA-N 0 3 397.541 0.993 20 0 GCADHN CCNC(=O)COc1ccc(CNC[C@H]2CCCN2S(C)(=O)=O)cc1OC ZINC000513532603 1193961194 /nfs/dbraw/zinc/96/11/94/1193961194.db2.gz MZUFHLRPOYVANH-OAHLLOKOSA-N 0 3 399.513 0.724 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000263108300 1193961959 /nfs/dbraw/zinc/96/19/59/1193961959.db2.gz DHAPBFQQVQIXLK-BEFAXECRSA-N 0 3 376.501 0.623 20 0 GCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433945652 1193962063 /nfs/dbraw/zinc/96/20/63/1193962063.db2.gz JGCBDGQQIHNPQS-INIZCTEOSA-N 0 3 379.505 0.382 20 0 GCADHN COC[C@H](CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)OC ZINC000513560341 1193963389 /nfs/dbraw/zinc/96/33/89/1193963389.db2.gz NEVYYMIMUFEVCB-SFHVURJKSA-N 0 3 392.500 0.933 20 0 GCADHN C[C@]1(O)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000280136504 1193977234 /nfs/dbraw/zinc/97/72/34/1193977234.db2.gz QVTUJSUYGMOTKT-IBGZPJMESA-N 0 3 395.525 0.756 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cc1OC ZINC000280308367 1193987061 /nfs/dbraw/zinc/98/70/61/1193987061.db2.gz JKBZDCDFYSOZGA-SFHVURJKSA-N 0 3 395.481 0.974 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cc1OC ZINC000280308363 1193987088 /nfs/dbraw/zinc/98/70/88/1193987088.db2.gz JKBZDCDFYSOZGA-GOSISDBHSA-N 0 3 395.481 0.974 20 0 GCADHN O=C(NCCN1CC=CCC1)[C@H]1CC[C@@H](C(=O)NCCN2CC=CCC2)O1 ZINC000280372732 1193989885 /nfs/dbraw/zinc/98/98/85/1193989885.db2.gz ZBKWGPZXKAJJMT-HDICACEKSA-N 0 3 376.501 0.290 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(C(=O)OC)c(OC)c1 ZINC000280469888 1193998208 /nfs/dbraw/zinc/99/82/08/1193998208.db2.gz YGTRMLMCYXAEFL-UHFFFAOYSA-N 0 3 381.429 0.457 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](CO)COC)c(C)c2)CC1 ZINC000280500469 1193999549 /nfs/dbraw/zinc/99/95/49/1193999549.db2.gz RHFSHRQFJXPIQM-OAHLLOKOSA-N 0 3 378.473 0.199 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1=O ZINC000280503124 1193999573 /nfs/dbraw/zinc/99/95/73/1193999573.db2.gz ACXAOKVGJXXMSB-IRXDYDNUSA-N 0 3 386.496 0.908 20 0 GCADHN CNC(=O)[C@@]1(C)CCN([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000280528760 1194001862 /nfs/dbraw/zinc/00/18/62/1194001862.db2.gz CTYLTJNLZGTIOJ-BLVKFPJESA-N 0 3 390.440 0.952 20 0 GCADHN COCCN(C)CCNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000280651387 1194012830 /nfs/dbraw/zinc/01/28/30/1194012830.db2.gz WHXKRTJJBMGRTB-SFHVURJKSA-N 0 3 399.513 0.136 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(CCCO)Cc1ccccn1 ZINC000280752046 1194017371 /nfs/dbraw/zinc/01/73/71/1194017371.db2.gz CSZYCWSSQUPORX-GOSISDBHSA-N 0 3 391.516 0.918 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000419418785 1194022804 /nfs/dbraw/zinc/02/28/04/1194022804.db2.gz RADKYHCCJAGGRP-BZUAXINKSA-N 0 3 376.457 0.075 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCCNCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419423770 1194024706 /nfs/dbraw/zinc/02/47/06/1194024706.db2.gz YZZLDLHJBIVNSW-MOPGFXCFSA-N 0 3 388.512 0.604 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCCNCC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000419426998 1194027656 /nfs/dbraw/zinc/02/76/56/1194027656.db2.gz NWTWTDJHNIRIOE-CQSZACIVSA-N 0 3 388.468 0.343 20 0 GCADHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C(=O)N2CCCNCC2)C1 ZINC000419441895 1194034984 /nfs/dbraw/zinc/03/49/84/1194034984.db2.gz UXDCCUVJPGCQLY-CQSZACIVSA-N 0 3 380.876 0.865 20 0 GCADHN CCC(CC)[C@@H](CCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)OC ZINC000419480855 1194040769 /nfs/dbraw/zinc/04/07/69/1194040769.db2.gz WJSPUUVGTOGVME-IAGOWNOFSA-N 0 3 394.520 0.858 20 0 GCADHN N[C@H](CNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1 ZINC000419491458 1194044407 /nfs/dbraw/zinc/04/44/07/1194044407.db2.gz JSWRLXMEDBBKPN-UXHICEINSA-N 0 3 396.491 0.992 20 0 GCADHN CN1C(=O)C[C@H](NC(=O)C(=O)N2CCCNCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000419499406 1194045943 /nfs/dbraw/zinc/04/59/43/1194045943.db2.gz XYIBDPJBLCQTNB-HOCLYGCPSA-N 0 3 396.850 0.689 20 0 GCADHN CCC(CC)C(=O)N1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419508102 1194048099 /nfs/dbraw/zinc/04/80/99/1194048099.db2.gz QRGDFRXRUAWEOK-CJNGLKHVSA-N 0 3 396.532 0.759 20 0 GCADHN Cc1cccc(N2CCN(CCCNC(=O)C(=O)N3CCN[C@H](C)C3)CC2)c1 ZINC000419513038 1194051688 /nfs/dbraw/zinc/05/16/88/1194051688.db2.gz LDMASCRCBWPONO-GOSISDBHSA-N 0 3 387.528 0.444 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419515951 1194051802 /nfs/dbraw/zinc/05/18/02/1194051802.db2.gz GCWAZDOEFWDBLV-CJNGLKHVSA-N 0 3 379.457 0.557 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419515953 1194051822 /nfs/dbraw/zinc/05/18/22/1194051822.db2.gz GCWAZDOEFWDBLV-XJKSGUPXSA-N 0 3 379.457 0.557 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N3CCNCC3)CC2)c1 ZINC000419517400 1194052578 /nfs/dbraw/zinc/05/25/78/1194052578.db2.gz WTDGXYOPTNTRNN-UHFFFAOYSA-N 0 3 387.528 0.445 20 0 GCADHN CN1C(=O)C[C@H](NC(=O)C(=O)N2CCCNCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000419555810 1194058644 /nfs/dbraw/zinc/05/86/44/1194058644.db2.gz BCPRCKFNQUARSC-HOCLYGCPSA-N 0 3 378.860 0.550 20 0 GCADHN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000419580224 1194060516 /nfs/dbraw/zinc/06/05/16/1194060516.db2.gz KVFDMTPTWVTNDH-KRWDZBQOSA-N 0 3 394.903 0.651 20 0 GCADHN O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(=O)N1CCCNCC1 ZINC000419566579 1194062313 /nfs/dbraw/zinc/06/23/13/1194062313.db2.gz PBYBQRPAEPCKBO-NSHDSACASA-N 0 3 382.823 0.523 20 0 GCADHN COc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419566858 1194062608 /nfs/dbraw/zinc/06/26/08/1194062608.db2.gz HKMBPLKOEFOUKV-XJKCOSOUSA-N 0 3 379.457 0.808 20 0 GCADHN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@H](CN)c1ccc3ccccc3c1)CC2 ZINC000419573983 1194064077 /nfs/dbraw/zinc/06/40/77/1194064077.db2.gz BNZVPVLVWGRGOX-ZWKOTPCHSA-N 0 3 392.463 0.987 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccnc1OCC(F)F ZINC000419604460 1194064703 /nfs/dbraw/zinc/06/47/03/1194064703.db2.gz ZORKENMXBHMHGZ-JQWIXIFHSA-N 0 3 386.399 0.571 20 0 GCADHN C[C@H](NC[C@@H]1CN(C2CC2)CCO1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000501131197 1194065765 /nfs/dbraw/zinc/06/57/65/1194065765.db2.gz DMQFWEKRBJBZSN-MAUKXSAKSA-N 0 3 389.496 0.958 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000419600590 1194069220 /nfs/dbraw/zinc/06/92/20/1194069220.db2.gz VZRCGBYRFNHNNI-OCCSQVGLSA-N 0 3 377.441 0.346 20 0 GCADHN CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419623302 1194071223 /nfs/dbraw/zinc/07/12/23/1194071223.db2.gz FJAHIGNRXXDNSB-REBRKWNGSA-N 0 3 378.477 0.076 20 0 GCADHN COC(=O)c1ccc(CNC(=O)[C@@H](C)NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000501149270 1194073483 /nfs/dbraw/zinc/07/34/83/1194073483.db2.gz OVURTVRAFNZEMM-RDTXWAMCSA-N 0 3 375.469 0.931 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OC1CCCC1 ZINC000419667174 1194078977 /nfs/dbraw/zinc/07/89/77/1194078977.db2.gz XAJCTCAXRGQDDX-INIZCTEOSA-N 0 3 391.468 0.737 20 0 GCADHN N[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@H]1c1cccc(F)c1 ZINC000419674671 1194079980 /nfs/dbraw/zinc/07/99/80/1194079980.db2.gz KGVNWZBIOMFIDY-HRCADAONSA-N 0 3 397.472 0.162 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NCC1(CCOCc2ccccc2)CC1 ZINC000419679504 1194080905 /nfs/dbraw/zinc/08/09/05/1194080905.db2.gz PUZYHCGMDMBLNG-KRWDZBQOSA-N 0 3 375.469 0.594 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000419658422 1194081761 /nfs/dbraw/zinc/08/17/61/1194081761.db2.gz XAHOCJDIZUXXGS-YOEHRIQHSA-N 0 3 385.468 0.777 20 0 GCADHN O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000419704003 1194082464 /nfs/dbraw/zinc/08/24/64/1194082464.db2.gz GRQZKBKSHBJRCV-GHMZBOCLSA-N 0 3 388.394 0.820 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CCN1 ZINC000419725380 1194088505 /nfs/dbraw/zinc/08/85/05/1194088505.db2.gz RYEWTVMHSMXLIV-ZDUSSCGKSA-N 0 3 380.439 0.866 20 0 GCADHN CC1(CNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)Cc2ccccc2C1 ZINC000419731568 1194089921 /nfs/dbraw/zinc/08/99/21/1194089921.db2.gz REKOBDACIMPEBR-SFHVURJKSA-N 0 3 396.495 0.822 20 0 GCADHN COC(=O)c1ccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419719944 1194092295 /nfs/dbraw/zinc/09/22/95/1194092295.db2.gz GZQJTSYSTHYTAU-WFASDCNBSA-N 0 3 377.441 0.361 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000419773977 1194102771 /nfs/dbraw/zinc/10/27/71/1194102771.db2.gz JDHNJJZNSXSTIM-QKLQHJQFSA-N 0 3 393.459 0.120 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCc3ccccc3Cl)C2)nn1 ZINC000419773678 1194102795 /nfs/dbraw/zinc/10/27/95/1194102795.db2.gz HLNDLOLYPKPPOI-CQSZACIVSA-N 0 3 376.848 0.870 20 0 GCADHN O=C(NCCCOc1ccc(C(F)(F)F)cn1)C(=O)NC[C@H]1CNCCO1 ZINC000419778238 1194104231 /nfs/dbraw/zinc/10/42/31/1194104231.db2.gz OIHFUBPELYHTNX-GFCCVEGCSA-N 0 3 390.362 0.090 20 0 GCADHN CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)NCC3(N(C)C)CC3)cc21 ZINC000419794396 1194105144 /nfs/dbraw/zinc/10/51/44/1194105144.db2.gz FZTWHHXFZJMOON-UHFFFAOYSA-N 0 3 385.468 0.878 20 0 GCADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC3(N(C)C)CC3)c2)nn1 ZINC000419814872 1194113205 /nfs/dbraw/zinc/11/32/05/1194113205.db2.gz KNFPCLLMLJRHSO-UHFFFAOYSA-N 0 3 386.412 0.203 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000419913774 1194137782 /nfs/dbraw/zinc/13/77/82/1194137782.db2.gz BERCEFOJLJNSSY-HNNXBMFYSA-N 0 3 386.477 0.849 20 0 GCADHN CCOc1ccc(NC(=O)CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000419919384 1194138677 /nfs/dbraw/zinc/13/86/77/1194138677.db2.gz VMOOJOFKHSBYNX-QGZVFWFLSA-N 0 3 384.436 0.956 20 0 GCADHN CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)C2)n1 ZINC000419916603 1194138704 /nfs/dbraw/zinc/13/87/04/1194138704.db2.gz FICUPTTZJVNTHW-GJZGRUSLSA-N 0 3 386.456 0.658 20 0 GCADHN CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)C2)n1 ZINC000419916604 1194138734 /nfs/dbraw/zinc/13/87/34/1194138734.db2.gz FICUPTTZJVNTHW-HUUCEWRRSA-N 0 3 386.456 0.658 20 0 GCADHN CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419916981 1194138748 /nfs/dbraw/zinc/13/87/48/1194138748.db2.gz FPROKJRBLYGENI-DLBZAZTESA-N 0 3 397.479 0.944 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419927706 1194140362 /nfs/dbraw/zinc/14/03/62/1194140362.db2.gz KCZKWGZCLWQYTB-DJIMGWMZSA-N 0 3 390.484 0.192 20 0 GCADHN CCOC(=O)c1nc(C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC2)n[n-]1 ZINC000419957655 1194143756 /nfs/dbraw/zinc/14/37/56/1194143756.db2.gz PACPAJKHYLBOSQ-CYBMUJFWSA-N 0 3 394.476 0.177 20 0 GCADHN CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC2)[n-]1 ZINC000419957655 1194143759 /nfs/dbraw/zinc/14/37/59/1194143759.db2.gz PACPAJKHYLBOSQ-CYBMUJFWSA-N 0 3 394.476 0.177 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCS(=O)(=O)c2ccccc2C1)C1CCCCC1 ZINC000419980111 1194151368 /nfs/dbraw/zinc/15/13/68/1194151368.db2.gz REGCSUPFVZCONV-INIZCTEOSA-N 0 3 393.509 0.826 20 0 GCADHN COc1ccc2c(c1OC)CCN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C2 ZINC000420022850 1194158314 /nfs/dbraw/zinc/15/83/14/1194158314.db2.gz ABJYUXCQTKKJIP-IUODEOHRSA-N 0 3 391.468 0.818 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000420022971 1194158338 /nfs/dbraw/zinc/15/83/38/1194158338.db2.gz AHGVADHYHGWSSF-GXTWGEPZSA-N 0 3 379.436 0.099 20 0 GCADHN Cc1nc(N2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)sc1C ZINC000420027155 1194159355 /nfs/dbraw/zinc/15/93/55/1194159355.db2.gz CWFJHAGEPLGOAW-GXTWGEPZSA-N 0 3 395.529 0.638 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000420028286 1194159523 /nfs/dbraw/zinc/15/95/23/1194159523.db2.gz DDMCISIDDVFHAZ-JFIYKMOQSA-N 0 3 388.512 0.949 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000420028283 1194159889 /nfs/dbraw/zinc/15/98/89/1194159889.db2.gz DDMCISIDDVFHAZ-BQFCYCMXSA-N 0 3 388.512 0.949 20 0 GCADHN C[C@H](N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1)C(F)(F)F ZINC000420031920 1194160730 /nfs/dbraw/zinc/16/07/30/1194160730.db2.gz HMMIFKMDNTXSDV-SRVKXCTJSA-N 0 3 380.411 0.311 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000420032404 1194160897 /nfs/dbraw/zinc/16/08/97/1194160897.db2.gz HYIRBRRKGFINLP-APHBMKBZSA-N 0 3 380.464 0.774 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000420032408 1194161085 /nfs/dbraw/zinc/16/10/85/1194161085.db2.gz HYIRBRRKGFINLP-RCBQFDQVSA-N 0 3 380.464 0.774 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CCN1CCOC ZINC000420034214 1194161136 /nfs/dbraw/zinc/16/11/36/1194161136.db2.gz JEAJMMLAWVQQKA-ARFHVFGLSA-N 0 3 384.521 0.175 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000420033795 1194161479 /nfs/dbraw/zinc/16/14/79/1194161479.db2.gz IVUWHQJWEMNHPO-RYUDHWBXSA-N 0 3 380.411 0.312 20 0 GCADHN Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)c1 ZINC000420012536 1194161959 /nfs/dbraw/zinc/16/19/59/1194161959.db2.gz BAORRPIPYUKPES-LSDHHAIUSA-N 0 3 375.473 0.268 20 0 GCADHN CN(CCNC(=O)CN(C)S(=O)(=O)c1cccnc1)Cc1ccccc1 ZINC000501457922 1194162033 /nfs/dbraw/zinc/16/20/33/1194162033.db2.gz OFZSPSHSQGMMNV-UHFFFAOYSA-N 0 3 376.482 0.950 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCC[C@H](OCCO)C1)c1ccc2ccccc2c1 ZINC000420058051 1194163632 /nfs/dbraw/zinc/16/36/32/1194163632.db2.gz NVZDEVDFGHYTGF-RBUKOAKNSA-N 0 3 385.464 0.956 20 0 GCADHN CCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420057850 1194163699 /nfs/dbraw/zinc/16/36/99/1194163699.db2.gz JMQWELXRBNVGGV-TZMCWYRMSA-N 0 3 377.441 0.993 20 0 GCADHN CNC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000420060334 1194164517 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CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCN1Cc1ccccc1 ZINC000420194303 1194208401 /nfs/dbraw/zinc/20/84/01/1194208401.db2.gz JRTSRYMVSDUAPW-MOPGFXCFSA-N 0 3 388.512 0.604 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000420194299 1194208510 /nfs/dbraw/zinc/20/85/10/1194208510.db2.gz JRPFFPGMOGIDQY-MSOLQXFVSA-N 0 3 375.469 0.341 20 0 GCADHN CN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000420209143 1194211638 /nfs/dbraw/zinc/21/16/38/1194211638.db2.gz VIVBXXIGBXUKAI-IUODEOHRSA-N 0 3 394.859 0.008 20 0 GCADHN COc1cc(OC)cc(OCCCN(C)C(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000420209825 1194212351 /nfs/dbraw/zinc/21/23/51/1194212351.db2.gz VSQYXXDNXPQJLN-KRWDZBQOSA-N 0 3 395.456 0.036 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000420212542 1194212803 /nfs/dbraw/zinc/21/28/03/1194212803.db2.gz YDGMEERZKOTSNW-HNNXBMFYSA-N 0 3 376.844 0.742 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000420212544 1194213033 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GCADHN CO[C@@H](Cc1ccccc1)CS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000420658468 1194252393 /nfs/dbraw/zinc/25/23/93/1194252393.db2.gz CCMMVTAEKLJSDP-MSOLQXFVSA-N 0 3 397.541 0.751 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000420771569 1194261577 /nfs/dbraw/zinc/26/15/77/1194261577.db2.gz SEEXNFSLWFACKU-KRWDZBQOSA-N 0 3 380.533 0.690 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000420769500 1194264373 /nfs/dbraw/zinc/26/43/73/1194264373.db2.gz JADMYQAKQZCBBD-RTBURBONSA-N 0 3 388.512 0.556 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000502104351 1194268189 /nfs/dbraw/zinc/26/81/89/1194268189.db2.gz IXCLNZLAHXRGRQ-INMHGKMJSA-N 0 3 397.483 0.925 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1)Cc1ccccc1 ZINC000420849114 1194268307 /nfs/dbraw/zinc/26/83/07/1194268307.db2.gz YHTMBCOILQVCRU-HZPDHXFCSA-N 0 3 382.455 0.731 20 0 GCADHN CCCN1C[C@H](CNC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1=O ZINC000420849175 1194268440 /nfs/dbraw/zinc/26/84/40/1194268440.db2.gz YJYRTBXOHVTQJG-ROUUACIJSA-N 0 3 388.512 0.650 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)c1nnnn1-c1ccccc1 ZINC000502135835 1194271413 /nfs/dbraw/zinc/27/14/13/1194271413.db2.gz BQZKJHQJOOCONR-KBPBESRZSA-N 0 3 383.456 0.606 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420913948 1194276522 /nfs/dbraw/zinc/27/65/22/1194276522.db2.gz JIYYRWIYHLDXFO-GOSISDBHSA-N 0 3 382.530 0.524 20 0 GCADHN C[C@H]1C[C@@H](CO)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420951379 1194276959 /nfs/dbraw/zinc/27/69/59/1194276959.db2.gz XCQBYFPFCXWJMO-DLBZAZTESA-N 0 3 395.525 0.470 20 0 GCADHN COc1cc(CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc(OC)c1OC ZINC000420946763 1194277285 /nfs/dbraw/zinc/27/72/85/1194277285.db2.gz OBIDSUXTQWLHHD-AWEZNQCLSA-N 0 3 379.457 0.881 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)o1 ZINC000502228293 1194282853 /nfs/dbraw/zinc/28/28/53/1194282853.db2.gz CMCONWBHYNWBGF-SJORKVTESA-N 0 3 390.484 0.748 20 0 GCADHN O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000502247137 1194284340 /nfs/dbraw/zinc/28/43/40/1194284340.db2.gz XHABXXUJSXDEBG-GVDBMIGSSA-N 0 3 376.501 0.733 20 0 GCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502263480 1194287122 /nfs/dbraw/zinc/28/71/22/1194287122.db2.gz AFPMLYRMODVFHB-NJAFHUGGSA-N 0 3 386.496 0.893 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000421045390 1194288364 /nfs/dbraw/zinc/28/83/64/1194288364.db2.gz UXOOPDRYVILHPR-MOPGFXCFSA-N 0 3 388.512 0.729 20 0 GCADHN CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000502286891 1194291950 /nfs/dbraw/zinc/29/19/50/1194291950.db2.gz GMNCEQRJYHYHNV-MSOLQXFVSA-N 0 3 389.496 0.512 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 ZINC000414498829 1194294555 /nfs/dbraw/zinc/29/45/55/1194294555.db2.gz XCNUPXBBJSZYML-CQSZACIVSA-N 0 3 395.456 0.105 20 0 GCADHN CCO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC000983013497 1194298765 /nfs/dbraw/zinc/29/87/65/1194298765.db2.gz PSQGLRRBKNJIGG-LFEHRJTNSA-N 0 3 381.517 0.875 20 0 GCADHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1O[C@H]1CC(=O)N1 ZINC000421177227 1194301756 /nfs/dbraw/zinc/30/17/56/1194301756.db2.gz GYYSMWLHHXNRHZ-GUYCJALGSA-N 0 3 376.457 0.942 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000421276962 1194319597 /nfs/dbraw/zinc/31/95/97/1194319597.db2.gz PTVXVLNAVZDPDZ-DLBZAZTESA-N 0 3 387.484 0.537 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000421307698 1194321557 /nfs/dbraw/zinc/32/15/57/1194321557.db2.gz XOHKYRZYSBHQKV-ZDUSSCGKSA-N 0 3 394.497 0.500 20 0 GCADHN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000421293435 1194323320 /nfs/dbraw/zinc/32/33/20/1194323320.db2.gz DEEBVGZYHQTKTR-CQSZACIVSA-N 0 3 388.468 0.713 20 0 GCADHN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421293434 1194323700 /nfs/dbraw/zinc/32/37/00/1194323700.db2.gz DEEBVGZYHQTKTR-AWEZNQCLSA-N 0 3 388.468 0.713 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000421292762 1194323829 /nfs/dbraw/zinc/32/38/29/1194323829.db2.gz BQZGRGXJGFCDKZ-OAHLLOKOSA-N 0 3 376.457 0.693 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000421299676 1194325586 /nfs/dbraw/zinc/32/55/86/1194325586.db2.gz NWVSFCTZXKSTSZ-HNNXBMFYSA-N 0 3 390.875 1.471 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)[C@H]3CCCCN3C(=O)[C@@H]3CCCO3)[C@H]2C1 ZINC000502499566 1194326323 /nfs/dbraw/zinc/32/63/23/1194326323.db2.gz RUTQIKTVAMRMEM-XDNAFOTISA-N 0 3 379.501 0.868 20 0 GCADHN C[C@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@H]3CCCN3C)cn2)CCO1 ZINC000421405591 1194336102 /nfs/dbraw/zinc/33/61/02/1194336102.db2.gz IFTXOBIGPSZFFY-DOTOQJQBSA-N 0 3 389.500 0.476 20 0 GCADHN CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000421407404 1194336595 /nfs/dbraw/zinc/33/65/95/1194336595.db2.gz LSGGCUCMJILDJU-MRXNPFEDSA-N 0 3 390.484 0.322 20 0 GCADHN CS(=O)(=O)[N-]c1cncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000502624935 1194340360 /nfs/dbraw/zinc/34/03/60/1194340360.db2.gz FHFLVOOONOWCOK-SJORKVTESA-N 0 3 396.513 0.951 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)C1 ZINC000421523466 1194344180 /nfs/dbraw/zinc/34/41/80/1194344180.db2.gz TVBOMIVUQMQXDZ-IAGOWNOFSA-N 0 3 378.517 0.838 20 0 GCADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCC2CN(S(C)(=O)=O)C2)cc1 ZINC000502683704 1194347555 /nfs/dbraw/zinc/34/75/55/1194347555.db2.gz YFBLSDAJLXCBMF-MRXNPFEDSA-N 0 3 384.502 0.489 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000502841370 1194360399 /nfs/dbraw/zinc/36/03/99/1194360399.db2.gz NCNPDYUNCQLXTI-DGCLKSJQSA-N 0 3 377.836 0.759 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000502835763 1194361793 /nfs/dbraw/zinc/36/17/93/1194361793.db2.gz GWUCMWAQNFPBOY-APHBMKBZSA-N 0 3 378.448 0.623 20 0 GCADHN COC(=O)c1ccc2c(c1)nc(CSc1nnnn1CCN(C)C)[nH]c2=O ZINC000502844712 1194362348 /nfs/dbraw/zinc/36/23/48/1194362348.db2.gz UHZYFERROOVWBM-UHFFFAOYSA-N 0 3 389.441 0.962 20 0 GCADHN CC[C@H](C)N[C@H](CNC(=O)NCCNS(=O)(=O)NC(C)C)c1ccco1 ZINC000502930416 1194368005 /nfs/dbraw/zinc/36/80/05/1194368005.db2.gz PRMIJAMYUUGDER-UONOGXRCSA-N 0 3 389.522 0.840 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN3CC[C@H]4OCCN[C@H]4C3)CC2)cc1 ZINC000584236669 1194370408 /nfs/dbraw/zinc/37/04/08/1194370408.db2.gz RQOSGCWURVXWPA-VQTJNVASSA-N 0 3 388.512 0.402 20 0 GCADHN NC(=O)c1cccc(CCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503058183 1194377903 /nfs/dbraw/zinc/37/79/03/1194377903.db2.gz ZJLIZKSFPBBXKT-UHFFFAOYSA-N 0 3 387.484 0.278 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)n1 ZINC000422099417 1194384099 /nfs/dbraw/zinc/38/40/99/1194384099.db2.gz COXITIIGFHWUQI-CQSZACIVSA-N 0 3 380.518 0.438 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000422104854 1194386977 /nfs/dbraw/zinc/38/69/77/1194386977.db2.gz PHOOUEFPXMTHKA-QGZVFWFLSA-N 0 3 395.475 0.714 20 0 GCADHN COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000422112489 1194392423 /nfs/dbraw/zinc/39/24/23/1194392423.db2.gz FBSWNBYIQJNENP-MRXNPFEDSA-N 0 3 393.484 0.577 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000422111511 1194392805 /nfs/dbraw/zinc/39/28/05/1194392805.db2.gz DFRDZFKHSUPGAS-SJLPKXTDSA-N 0 3 375.469 0.845 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000422115422 1194393553 /nfs/dbraw/zinc/39/35/53/1194393553.db2.gz JTVBOZUWWKLKRP-KRWDZBQOSA-N 0 3 390.484 0.322 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000422122005 1194395832 /nfs/dbraw/zinc/39/58/32/1194395832.db2.gz WCEWVXHABOZPPN-DNVCBOLYSA-N 0 3 383.489 0.357 20 0 GCADHN Cc1nc(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)sc1C ZINC000422120842 1194396035 /nfs/dbraw/zinc/39/60/35/1194396035.db2.gz QIQFNNWQFCFOEX-HNNXBMFYSA-N 0 3 379.530 0.961 20 0 GCADHN Cc1nc(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)sc1C ZINC000422120846 1194396247 /nfs/dbraw/zinc/39/62/47/1194396247.db2.gz QIQFNNWQFCFOEX-OAHLLOKOSA-N 0 3 379.530 0.961 20 0 GCADHN COc1ccccc1CN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422134970 1194397284 /nfs/dbraw/zinc/39/72/84/1194397284.db2.gz JVUZPETVYFVDRV-SFHVURJKSA-N 0 3 388.512 0.892 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000422140914 1194398257 /nfs/dbraw/zinc/39/82/57/1194398257.db2.gz OTSWEDXGIDKIKI-JKSUJKDBSA-N 0 3 399.532 0.849 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000422145534 1194399377 /nfs/dbraw/zinc/39/93/77/1194399377.db2.gz UUDWOGFJXAPRNZ-LBPRGKRZSA-N 0 3 382.402 0.584 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@@H](C)O1 ZINC000422145316 1194399488 /nfs/dbraw/zinc/39/94/88/1194399488.db2.gz ULNFTKRJEVEGSO-BDXSIMOUSA-N 0 3 380.533 0.639 20 0 GCADHN CC(=O)N[C@@](C)(C(=O)N(C)[C@@H]1CCCN(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000280768729 1194402023 /nfs/dbraw/zinc/40/20/23/1194402023.db2.gz IVWXJPOGUQRNEZ-VQIMIIECSA-N 0 3 395.525 0.994 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1 ZINC000271721827 1194407182 /nfs/dbraw/zinc/40/71/82/1194407182.db2.gz NYKFPDLDFGCSDE-UHFFFAOYSA-N 0 3 375.473 0.095 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1c(OC)ncnc1N(C)C ZINC000271723536 1194407364 /nfs/dbraw/zinc/40/73/64/1194407364.db2.gz YFYDNLOLTJRCLM-ZDUSSCGKSA-N 0 3 378.477 0.870 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C[C@H]1O ZINC000271735263 1194408110 /nfs/dbraw/zinc/40/81/10/1194408110.db2.gz PLHJIOGPIQONQK-IUODEOHRSA-N 0 3 390.440 0.324 20 0 GCADHN COC(=O)c1ccc(CNC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)o1 ZINC000271793960 1194412699 /nfs/dbraw/zinc/41/26/99/1194412699.db2.gz HINGQBISJJXTTI-UHFFFAOYSA-N 0 3 382.442 0.743 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)c1 ZINC000272026742 1194431337 /nfs/dbraw/zinc/43/13/37/1194431337.db2.gz OCMYGXZDWIFQIO-INIZCTEOSA-N 0 3 377.441 0.725 20 0 GCADHN CN(CCN1CCN(S(=O)(=O)c2ccnn2C)CC1)Cc1ccccc1 ZINC000545909965 1194431806 /nfs/dbraw/zinc/43/18/06/1194431806.db2.gz ABLYUFRDQINQIM-UHFFFAOYSA-N 0 3 377.514 0.858 20 0 GCADHN CS[C@H]1CN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C[C@@H]1N(C)C ZINC000272070326 1194434048 /nfs/dbraw/zinc/43/40/48/1194434048.db2.gz ULGOEFXHRXHOCV-HOTGVXAUSA-N 0 3 380.514 0.144 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000272163962 1194439711 /nfs/dbraw/zinc/43/97/11/1194439711.db2.gz ZFSSHPCOWWNXJE-LBPRGKRZSA-N 0 3 394.476 0.279 20 0 GCADHN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000272274774 1194445437 /nfs/dbraw/zinc/44/54/37/1194445437.db2.gz BZWNFNPCMOIKTB-WMLDXEAASA-N 0 3 387.484 0.678 20 0 GCADHN COC[C@@H](NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C1CC1 ZINC000272364576 1194453634 /nfs/dbraw/zinc/45/36/34/1194453634.db2.gz SUMUVELFQGQEOT-UZLBHIALSA-N 0 3 388.468 0.976 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)[C@H]2C1 ZINC000272371446 1194454579 /nfs/dbraw/zinc/45/45/79/1194454579.db2.gz GSQXNUZFGNIANV-HOCLYGCPSA-N 0 3 376.461 0.300 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000272385253 1194455463 /nfs/dbraw/zinc/45/54/63/1194455463.db2.gz GDBAINQHPNPIPG-IAGOWNOFSA-N 0 3 392.525 0.787 20 0 GCADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000272414221 1194457966 /nfs/dbraw/zinc/45/79/66/1194457966.db2.gz JGJGSUPXTMMHSB-MEDUHNTESA-N 0 3 390.440 0.370 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)NCCCN3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000272468738 1194463592 /nfs/dbraw/zinc/46/35/92/1194463592.db2.gz PURUZROCRZKZPQ-QZTJIDSGSA-N 0 3 387.532 0.724 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@@H]2C1 ZINC000272468347 1194463625 /nfs/dbraw/zinc/46/36/25/1194463625.db2.gz LCKAJANPHQYRBY-CRAIPNDOSA-N 0 3 393.509 0.874 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H]1CCCC[C@H]1O ZINC000272498156 1194466939 /nfs/dbraw/zinc/46/69/39/1194466939.db2.gz ILLXJNXOGDOAOM-UWWQBHOKSA-N 0 3 397.541 0.864 20 0 GCADHN C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H](C)CN1 ZINC000272551754 1194472413 /nfs/dbraw/zinc/47/24/13/1194472413.db2.gz KSRHQWLYKDCYLP-KGLIPLIRSA-N 0 3 397.497 0.725 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)[C@H](C)O)cc1 ZINC000272561911 1194473701 /nfs/dbraw/zinc/47/37/01/1194473701.db2.gz BYITXDHCHNBMML-NONVJHHQSA-N 0 3 395.525 0.622 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000272613358 1194478822 /nfs/dbraw/zinc/47/88/22/1194478822.db2.gz OMIRODJLHPONPY-QGZVFWFLSA-N 0 3 390.484 0.110 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000272625764 1194479924 /nfs/dbraw/zinc/47/99/24/1194479924.db2.gz VMWJKTWLGHOXCV-JKSUJKDBSA-N 0 3 395.525 0.849 20 0 GCADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCN1CCNC(=O)C1 ZINC000272655061 1194483772 /nfs/dbraw/zinc/48/37/72/1194483772.db2.gz BDACPUPUCAAWFH-UHFFFAOYSA-N 0 3 381.908 0.845 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000272661892 1194484249 /nfs/dbraw/zinc/48/42/49/1194484249.db2.gz ROAFDAZGVCTPET-DLBZAZTESA-N 0 3 386.500 0.458 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)[C@H]2CCCN(C)C2)[C@@H](C)O)cc1 ZINC000272702795 1194489119 /nfs/dbraw/zinc/48/91/19/1194489119.db2.gz WONHIRHNKXWUAN-VYDXJSESSA-N 0 3 383.514 0.575 20 0 GCADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000272737690 1194493945 /nfs/dbraw/zinc/49/39/45/1194493945.db2.gz AOXWINGZGXTIOP-ZDUSSCGKSA-N 0 3 394.447 0.551 20 0 GCADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000272737687 1194494052 /nfs/dbraw/zinc/49/40/52/1194494052.db2.gz AOXWINGZGXTIOP-CYBMUJFWSA-N 0 3 394.447 0.551 20 0 GCADHN O=S1(=O)C[C@H](NC2CCN(c3ccccn3)CC2)[C@@H](N2CCOCC2)C1 ZINC000272828652 1194507103 /nfs/dbraw/zinc/50/71/03/1194507103.db2.gz HKKCEXUTJWQLGA-IRXDYDNUSA-N 0 3 380.514 0.138 20 0 GCADHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccn2c(=O)[nH]nc12 ZINC000272889251 1194515378 /nfs/dbraw/zinc/51/53/78/1194515378.db2.gz AMZQSWATOVWOHJ-WBVHZDCISA-N 0 3 381.436 0.635 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)C1CC1 ZINC000272896662 1194516418 /nfs/dbraw/zinc/51/64/18/1194516418.db2.gz PGFBVGCMGRUHDU-UHFFFAOYSA-N 0 3 387.440 0.813 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)n1 ZINC000272948078 1194522695 /nfs/dbraw/zinc/52/26/95/1194522695.db2.gz JPMNLRMVJVOZOA-MRXNPFEDSA-N 0 3 389.548 0.809 20 0 GCADHN C[C@@H](NC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)C1=CCN(C)CC1 ZINC000273070604 1194536475 /nfs/dbraw/zinc/53/64/75/1194536475.db2.gz ZKSXYXPGVCVLMC-HUUCEWRRSA-N 0 3 384.488 0.995 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000273085381 1194537582 /nfs/dbraw/zinc/53/75/82/1194537582.db2.gz RMUIJIDDFVDYHY-IAGOWNOFSA-N 0 3 383.470 0.828 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CSc2nnc3ccccn32)CC1 ZINC000273119254 1194540543 /nfs/dbraw/zinc/54/05/43/1194540543.db2.gz XUHJXAXQZLWPIC-UHFFFAOYSA-N 0 3 390.513 0.834 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000273180505 1194545486 /nfs/dbraw/zinc/54/54/86/1194545486.db2.gz LPRYFXCKJXYAEO-OAHLLOKOSA-N 0 3 382.486 0.407 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000273217610 1194547485 /nfs/dbraw/zinc/54/74/85/1194547485.db2.gz CNPCVEYUZSRKKT-DLBZAZTESA-N 0 3 390.484 0.922 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000273285271 1194551829 /nfs/dbraw/zinc/55/18/29/1194551829.db2.gz HNUQLAVNHXPSMW-UHFFFAOYSA-N 0 3 387.484 0.998 20 0 GCADHN C[C@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000273366881 1194558067 /nfs/dbraw/zinc/55/80/67/1194558067.db2.gz DMUBQQOUDIMWCQ-WMLDXEAASA-N 0 3 397.497 0.803 20 0 GCADHN CC(C)(CC(N)=O)NCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000273384187 1194559623 /nfs/dbraw/zinc/55/96/23/1194559623.db2.gz CZUHCTJUZSPVGJ-UHFFFAOYSA-N 0 3 393.463 0.152 20 0 GCADHN COC(=O)c1coc(CNC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000273430584 1194563359 /nfs/dbraw/zinc/56/33/59/1194563359.db2.gz TUYNPIZVAYNNPF-UHFFFAOYSA-N 0 3 382.442 0.743 20 0 GCADHN COC[C@H](NCC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)C1CC1 ZINC000273437489 1194563927 /nfs/dbraw/zinc/56/39/27/1194563927.db2.gz VMBPFLNGYGZZEJ-KXBFYZLASA-N 0 3 390.440 0.508 20 0 GCADHN CS[C@@H]1CN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H]1N(C)C ZINC000273696958 1194584009 /nfs/dbraw/zinc/58/40/09/1194584009.db2.gz MEPUDNXZFKKJQC-ZIAGYGMSSA-N 0 3 396.517 0.251 20 0 GCADHN CS[C@H]1CN(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)C[C@@H]1N(C)C ZINC000273776233 1194588051 /nfs/dbraw/zinc/58/80/51/1194588051.db2.gz WLVALJSNHYNMEW-GJZGRUSLSA-N 0 3 393.513 0.801 20 0 GCADHN CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000503192966 1194588769 /nfs/dbraw/zinc/58/87/69/1194588769.db2.gz TYOIEAGNQBJHBB-UHFFFAOYSA-N 0 3 390.484 0.708 20 0 GCADHN C[C@H](CN1CCCC1=O)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000422268107 1194596787 /nfs/dbraw/zinc/59/67/87/1194596787.db2.gz JPUIJOYLOGYEGG-CQSZACIVSA-N 0 3 380.514 0.765 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C2(OC)CCOCC2)CC1 ZINC000422261734 1194601382 /nfs/dbraw/zinc/60/13/82/1194601382.db2.gz FNZAJYVZBILOEN-INIZCTEOSA-N 0 3 384.521 0.766 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000422262748 1194601772 /nfs/dbraw/zinc/60/17/72/1194601772.db2.gz RMZBMCMWHCQGAE-APWZRJJASA-N 0 3 398.573 0.252 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c(OC)c1OC ZINC000422262568 1194601909 /nfs/dbraw/zinc/60/19/09/1194601909.db2.gz RBQUKBDWUGTODX-HNNXBMFYSA-N 0 3 393.484 0.924 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000422303083 1194609968 /nfs/dbraw/zinc/60/99/68/1194609968.db2.gz HGMDYJVHTRJYGQ-HNNXBMFYSA-N 0 3 381.498 0.697 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)N(C)Cc1ccccc1 ZINC000422314875 1194611490 /nfs/dbraw/zinc/61/14/90/1194611490.db2.gz HZCCPGYMSFWWHI-RDJZCZTQSA-N 0 3 377.485 0.621 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000422320477 1194613150 /nfs/dbraw/zinc/61/31/50/1194613150.db2.gz AZOUVCQALJPTSH-ZBFHGGJFSA-N 0 3 390.459 0.988 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000422324215 1194614337 /nfs/dbraw/zinc/61/43/37/1194614337.db2.gz HRJSZJGSHWCVTA-RYUDHWBXSA-N 0 3 378.395 0.207 20 0 GCADHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000422368452 1194624398 /nfs/dbraw/zinc/62/43/98/1194624398.db2.gz VCNONTVAAHHGJI-QGZVFWFLSA-N 0 3 378.517 0.886 20 0 GCADHN Cc1ccc([C@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)N2CCOCC2)s1 ZINC000664312910 1194629350 /nfs/dbraw/zinc/62/93/50/1194629350.db2.gz FWRQHPUDMXDORE-JYJNAYRXSA-N 0 3 382.530 0.746 20 0 GCADHN C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000422380136 1194629786 /nfs/dbraw/zinc/62/97/86/1194629786.db2.gz AXSZDBJWLRLACR-GOEBONIOSA-N 0 3 383.514 0.949 20 0 GCADHN CCN1CCN(CCNC(=O)c2ccccc2S(=O)(=O)CCN(C)C)CC1 ZINC000503334661 1194636813 /nfs/dbraw/zinc/63/68/13/1194636813.db2.gz YZXJJODPANKEQQ-UHFFFAOYSA-N 0 3 396.557 0.389 20 0 GCADHN CC(C)(C)n1nnc(CCN2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001028703780 1194638132 /nfs/dbraw/zinc/63/81/32/1194638132.db2.gz JFUGKDNSJOZKKX-NTCWUJLTSA-N 0 3 388.516 0.832 20 0 GCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N(C)C[C@H]1CCCN1C)CCC2 ZINC000422425083 1194638181 /nfs/dbraw/zinc/63/81/81/1194638181.db2.gz LPVRHPIJOUMDFG-CVEARBPZSA-N 0 3 377.489 0.576 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000422412532 1194640569 /nfs/dbraw/zinc/64/05/69/1194640569.db2.gz JFQZTENHKBPLCK-HUUCEWRRSA-N 0 3 380.514 0.669 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000422434734 1194644600 /nfs/dbraw/zinc/64/46/00/1194644600.db2.gz AGJYIZRLDWVGPJ-IKGGRYGDSA-N 0 3 378.517 0.835 20 0 GCADHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000422440895 1194645629 /nfs/dbraw/zinc/64/56/29/1194645629.db2.gz IVDXOUCJNNYIQP-IAGOWNOFSA-N 0 3 396.532 0.463 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H](C2CC2)C2CCC2)CC1 ZINC000422466094 1194645682 /nfs/dbraw/zinc/64/56/82/1194645682.db2.gz OASZZSSAPUEARQ-SJORKVTESA-N 0 3 376.501 0.446 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H](C2CC2)C2CCC2)CC1 ZINC000422469230 1194646839 /nfs/dbraw/zinc/64/68/39/1194646839.db2.gz URSQFHYHXGTYON-SFHVURJKSA-N 0 3 376.501 0.448 20 0 GCADHN COc1cccc2c1C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C2 ZINC000422493030 1194651813 /nfs/dbraw/zinc/65/18/13/1194651813.db2.gz XFBYZGPKYCXKNE-DLBZAZTESA-N 0 3 389.496 0.848 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nccs1 ZINC000422500576 1194652971 /nfs/dbraw/zinc/65/29/71/1194652971.db2.gz NINQQYBLSLYKSJ-STQMWFEESA-N 0 3 379.486 0.085 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)N(C)CCN2CCCC2)cn1 ZINC000422514995 1194658263 /nfs/dbraw/zinc/65/82/63/1194658263.db2.gz AOKMMZRTVMPPDC-DOTOQJQBSA-N 0 3 377.489 0.651 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422520664 1194660144 /nfs/dbraw/zinc/66/01/44/1194660144.db2.gz RQVJGDKJBRZEBL-HOTGVXAUSA-N 0 3 376.432 0.600 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422520663 1194660205 /nfs/dbraw/zinc/66/02/05/1194660205.db2.gz RQVJGDKJBRZEBL-CVEARBPZSA-N 0 3 376.432 0.600 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000422589535 1194669767 /nfs/dbraw/zinc/66/97/67/1194669767.db2.gz MLIBNXCCBYFPOE-KBPBESRZSA-N 0 3 376.448 0.011 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1)N1CCC[C@H](C)C1 ZINC000422577022 1194671261 /nfs/dbraw/zinc/67/12/61/1194671261.db2.gz AKFWWMGGJJOTEF-JKSUJKDBSA-N 0 3 383.533 0.907 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1CC1(C)C ZINC000422583390 1194672082 /nfs/dbraw/zinc/67/20/82/1194672082.db2.gz WYXPDRPFQNLJLA-OWCLPIDISA-N 0 3 378.517 0.692 20 0 GCADHN CCCN1C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1=O ZINC000422606304 1194674090 /nfs/dbraw/zinc/67/40/90/1194674090.db2.gz SDAYNJCFQRFHRX-MRXNPFEDSA-N 0 3 392.500 0.853 20 0 GCADHN CCCN1C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC1=O ZINC000422605802 1194674296 /nfs/dbraw/zinc/67/42/96/1194674296.db2.gz QVWWEILFXGGMEW-OAHLLOKOSA-N 0 3 378.473 0.545 20 0 GCADHN COC1([C@@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CCOCC1 ZINC000422636754 1194679836 /nfs/dbraw/zinc/67/98/36/1194679836.db2.gz PPVYXBDYVQURSN-CVEARBPZSA-N 0 3 385.505 0.256 20 0 GCADHN COCc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503600292 1194700298 /nfs/dbraw/zinc/70/02/98/1194700298.db2.gz AKJKPDPZGGQJOX-UHFFFAOYSA-N 0 3 388.468 0.538 20 0 GCADHN NCC(=O)N1CCC[C@@H](CN2CCN(C(=O)c3c(F)cccc3F)CC2)C1 ZINC000414698684 1194703659 /nfs/dbraw/zinc/70/36/59/1194703659.db2.gz XTELZOCKQIOONK-AWEZNQCLSA-N 0 3 380.439 0.920 20 0 GCADHN [NH3+]Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000414702495 1194706949 /nfs/dbraw/zinc/70/69/49/1194706949.db2.gz HUUFKFZVJWQMOU-UHFFFAOYSA-N 0 3 382.420 0.774 20 0 GCADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@H](N)C3CCC3)CC2)c1 ZINC000422942546 1194710201 /nfs/dbraw/zinc/71/02/01/1194710201.db2.gz WPHLVLDJWGQRHS-QGZVFWFLSA-N 0 3 397.497 0.664 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C12CCCC2 ZINC000503702041 1194711360 /nfs/dbraw/zinc/71/13/60/1194711360.db2.gz HSNJDIRKFGWXOL-ZWKOTPCHSA-N 0 3 394.560 0.936 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](N)CC2CCCCC2)c1 ZINC000423145795 1194730640 /nfs/dbraw/zinc/73/06/40/1194730640.db2.gz MMAMNCSTZLIASF-MRXNPFEDSA-N 0 3 396.513 0.947 20 0 GCADHN C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000423138839 1194733111 /nfs/dbraw/zinc/73/31/11/1194733111.db2.gz YGIBIRSHNQRXFW-OAHLLOKOSA-N 0 3 388.468 0.135 20 0 GCADHN CS[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000503912316 1194733722 /nfs/dbraw/zinc/73/37/22/1194733722.db2.gz NEGPPSHPNKDFKG-HOTGVXAUSA-N 0 3 396.557 0.543 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCN(Cc2cccnc2)CC1 ZINC000414725434 1194740178 /nfs/dbraw/zinc/74/01/78/1194740178.db2.gz MCEVBFZOEHLLJN-UHFFFAOYSA-N 0 3 395.463 0.847 20 0 GCADHN CN1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)Cc2ccccc21 ZINC000423255420 1194743946 /nfs/dbraw/zinc/74/39/46/1194743946.db2.gz CATKNMKKXITXGG-KRWDZBQOSA-N 0 3 397.483 0.379 20 0 GCADHN CN(CCN(C)c1ccccc1)C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423281249 1194744834 /nfs/dbraw/zinc/74/48/34/1194744834.db2.gz BARLTYUGSOBLSU-SFHVURJKSA-N 0 3 399.499 0.495 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3COCCO3)c2)CC1 ZINC000504043896 1194746966 /nfs/dbraw/zinc/74/69/66/1194746966.db2.gz MBCRDDPAIKXPLP-GOSISDBHSA-N 0 3 390.484 0.687 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCc4cc(F)ccc4C3)C2)nn1 ZINC000423316010 1194747080 /nfs/dbraw/zinc/74/70/80/1194747080.db2.gz BLLKVUHUFLLBDR-QGZVFWFLSA-N 0 3 386.431 0.624 20 0 GCADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000423330107 1194749436 /nfs/dbraw/zinc/74/94/36/1194749436.db2.gz TXIQDTAXPICAEW-LMRQPLJMSA-N 0 3 399.488 0.359 20 0 GCADHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1(C)C ZINC000423383261 1194752483 /nfs/dbraw/zinc/75/24/83/1194752483.db2.gz DYFCEAXZCJXQFI-BZUAXINKSA-N 0 3 392.504 0.562 20 0 GCADHN COc1cc(C(=O)N2CCN(C[C@H]3CCCN(C(=O)CN)C3)CC2)ccc1C ZINC000414741093 1194754066 /nfs/dbraw/zinc/75/40/66/1194754066.db2.gz HCXBYMUZJQELAI-QGZVFWFLSA-N 0 3 388.512 0.959 20 0 GCADHN CC(C)(C)NC(=O)CNC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCC1 ZINC001482225136 1194756051 /nfs/dbraw/zinc/75/60/51/1194756051.db2.gz KWJWKMXRIGPZLE-YQQAZPJKSA-N 0 3 381.517 0.971 20 0 GCADHN NCC(=O)N1CCC[C@H](CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000414743923 1194756448 /nfs/dbraw/zinc/75/64/48/1194756448.db2.gz VRELUVLXZBLJLS-OAHLLOKOSA-N 0 3 398.504 0.329 20 0 GCADHN CCOC(=O)Cn1cc(CN[C@@H]2CC(=O)N(C(C)C)C2)c(-c2cnn(C)c2)n1 ZINC000894281724 1194757250 /nfs/dbraw/zinc/75/72/50/1194757250.db2.gz ZLWGDBICGQKGBX-MRXNPFEDSA-N 0 3 388.472 0.946 20 0 GCADHN CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)C(=O)N1CCCNCC1 ZINC000423602275 1194772041 /nfs/dbraw/zinc/77/20/41/1194772041.db2.gz CUVWRPOKTSNPRL-UHFFFAOYSA-N 0 3 397.497 0.139 20 0 GCADHN COc1cccc(OCCN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)c1 ZINC000423609813 1194772782 /nfs/dbraw/zinc/77/27/82/1194772782.db2.gz LSVCDQOEQJTJAM-UHFFFAOYSA-N 0 3 390.484 0.040 20 0 GCADHN CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423611191 1194773599 /nfs/dbraw/zinc/77/35/99/1194773599.db2.gz NKGCLMGBAUSHSC-UHFFFAOYSA-N 0 3 388.468 0.192 20 0 GCADHN NS(=O)(=O)CCCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000504280542 1194773823 /nfs/dbraw/zinc/77/38/23/1194773823.db2.gz JRTGOCHBWDVKCU-UHFFFAOYSA-N 0 3 382.530 0.774 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(CCCN3CCOCC3)CC2)[C@@H](C)CN1 ZINC000423650428 1194779001 /nfs/dbraw/zinc/77/90/01/1194779001.db2.gz KSUKRVQEXPRMRQ-SJORKVTESA-N 0 3 380.533 0.546 20 0 GCADHN CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C[C@H](C)S1(=O)=O ZINC000423650667 1194779442 /nfs/dbraw/zinc/77/94/42/1194779442.db2.gz LPENVIDTTBJCPA-QSPRXWTASA-N 0 3 393.509 0.364 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCOC2)cc1)[C@H]1CCCN(C)C1 ZINC000504326336 1194784480 /nfs/dbraw/zinc/78/44/80/1194784480.db2.gz WAZCVFKBLIOLLM-SJORKVTESA-N 0 3 388.468 0.696 20 0 GCADHN C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000423708782 1194786998 /nfs/dbraw/zinc/78/69/98/1194786998.db2.gz VQVRVNALFAYAOS-OAHLLOKOSA-N 0 3 388.468 0.135 20 0 GCADHN O=C(NCc1cccc(N2CCOCC2)n1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894285749 1194793426 /nfs/dbraw/zinc/79/34/26/1194793426.db2.gz PPYVDXDDQAUKRJ-ROUUACIJSA-N 0 3 389.500 0.659 20 0 GCADHN CSCC[C@@H](C(=O)NC[C@@H]1CNCCO1)N1C(=O)c2ccccc2C1=O ZINC000423994771 1194797722 /nfs/dbraw/zinc/79/77/22/1194797722.db2.gz TVMMTIFLGZNICO-WFASDCNBSA-N 0 3 377.466 0.509 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CNCCO3)CC2)c(C)c1 ZINC000423993705 1194797758 /nfs/dbraw/zinc/79/77/58/1194797758.db2.gz QYWQVKLKRXQNCL-QGZVFWFLSA-N 0 3 395.525 0.809 20 0 GCADHN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)NC[C@@H]2CNCCO2)C1 ZINC000423984782 1194798420 /nfs/dbraw/zinc/79/84/20/1194798420.db2.gz CENWLCTZTNAECJ-AEFFLSMTSA-N 0 3 375.469 0.799 20 0 GCADHN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)NC[C@@H]2CNCCO2)C1 ZINC000423984788 1194798437 /nfs/dbraw/zinc/79/84/37/1194798437.db2.gz CENWLCTZTNAECJ-WMZOPIPTSA-N 0 3 375.469 0.799 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424070550 1194800817 /nfs/dbraw/zinc/80/08/17/1194800817.db2.gz CPKYCZZMTXDHIE-RISCZKNCSA-N 0 3 378.454 0.875 20 0 GCADHN CCCC[C@H](COC)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000504636352 1194802124 /nfs/dbraw/zinc/80/21/24/1194802124.db2.gz DKBJMZMBGAFSHE-HZPDHXFCSA-N 0 3 382.505 0.073 20 0 GCADHN O=C(CC1CCCC1)NCCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414783154 1194809103 /nfs/dbraw/zinc/80/91/03/1194809103.db2.gz PLBCAIHVEZVQFW-UHFFFAOYSA-N 0 3 388.468 0.920 20 0 GCADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424388433 1194810064 /nfs/dbraw/zinc/81/00/64/1194810064.db2.gz HBAQZPHLDVSZJC-LSDHHAIUSA-N 0 3 398.510 0.247 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000664388004 1194811059 /nfs/dbraw/zinc/81/10/59/1194811059.db2.gz XNCPNUBCHZCQQX-CQSZACIVSA-N 0 3 380.468 0.461 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)CC(N)=O)c2)CC1 ZINC000505007860 1194822738 /nfs/dbraw/zinc/82/27/38/1194822738.db2.gz VVIIRDCLQVIQHQ-CQSZACIVSA-N 0 3 375.473 0.536 20 0 GCADHN CC1(C)COCCN1CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414799255 1194825940 /nfs/dbraw/zinc/82/59/40/1194825940.db2.gz GIMAIVJPPFBMOF-UHFFFAOYSA-N 0 3 376.457 0.334 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001269701441 1194828475 /nfs/dbraw/zinc/82/84/75/1194828475.db2.gz OIQLDLCVOCPEBQ-OAHLLOKOSA-N 0 3 384.521 0.224 20 0 GCADHN O=C(NCCn1c(=O)oc2ccccc21)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414818809 1194831055 /nfs/dbraw/zinc/83/10/55/1194831055.db2.gz WPPPRAJIRQWNSZ-UHFFFAOYSA-N 0 3 396.403 0.831 20 0 GCADHN C[C@@H]1OCC[C@]1(O)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000434281247 1194838487 /nfs/dbraw/zinc/83/84/87/1194838487.db2.gz HBLHJFCGRLZMJT-YWZLYKJASA-N 0 3 377.485 0.982 20 0 GCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434350116 1194840831 /nfs/dbraw/zinc/84/08/31/1194840831.db2.gz PABKFULEGUOABF-QGZVFWFLSA-N 0 3 381.521 0.093 20 0 GCADHN C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000366585888 1194848640 /nfs/dbraw/zinc/84/86/40/1194848640.db2.gz OCECTMFIUAMBLE-DZUCGIPZSA-N 0 3 377.485 0.920 20 0 GCADHN Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)C1 ZINC000427354022 1194857180 /nfs/dbraw/zinc/85/71/80/1194857180.db2.gz FHLGBDCGFSOOSQ-OAHLLOKOSA-N 0 3 399.499 0.650 20 0 GCADHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000514236724 1194858871 /nfs/dbraw/zinc/85/88/71/1194858871.db2.gz XWHCIDBVBGCOBO-GJZGRUSLSA-N 0 3 384.521 0.223 20 0 GCADHN COc1ccccc1COC[C@H](O)CN1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000434718247 1194863544 /nfs/dbraw/zinc/86/35/44/1194863544.db2.gz OZJASPGBSUXUMJ-UYAOXDASSA-N 0 3 392.496 0.924 20 0 GCADHN COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)C[C@H]2CNCCO2)c1 ZINC000430081727 1194863572 /nfs/dbraw/zinc/86/35/72/1194863572.db2.gz QRBFLSNHYRVRJH-HNNXBMFYSA-N 0 3 376.417 0.016 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000434841163 1194873477 /nfs/dbraw/zinc/87/34/77/1194873477.db2.gz XJRVGQGQXOYNCG-ZBFHGGJFSA-N 0 3 393.488 0.779 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000664452896 1194873624 /nfs/dbraw/zinc/87/36/24/1194873624.db2.gz VVFWBHBNCOXPIT-UHFFFAOYSA-N 0 3 378.399 0.607 20 0 GCADHN CCc1csc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000434854684 1194874621 /nfs/dbraw/zinc/87/46/21/1194874621.db2.gz WZVZDAQSKQGOBM-UHFFFAOYSA-N 0 3 379.486 0.411 20 0 GCADHN CC1(C)NC(=O)N(CCN2CC[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1=O ZINC001028820872 1194883124 /nfs/dbraw/zinc/88/31/24/1194883124.db2.gz VBLSAKFPOYPCRC-YJNKXOJESA-N 0 3 378.473 0.322 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)C[C@@H]1O ZINC000664463900 1194883342 /nfs/dbraw/zinc/88/33/42/1194883342.db2.gz SQCPTQQNESRUIB-ROUUACIJSA-N 0 3 395.935 0.778 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3c[nH]cc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000514615185 1194887972 /nfs/dbraw/zinc/88/79/72/1194887972.db2.gz RSFJKHLCWAYBCI-CZUORRHYSA-N 0 3 382.420 0.837 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n1 ZINC000425277231 1194888657 /nfs/dbraw/zinc/88/86/57/1194888657.db2.gz DQPZGVCPOUPGAW-HUUCEWRRSA-N 0 3 392.891 0.906 20 0 GCADHN CCCn1c(N)c(C(=O)CN2CCN(C3CCCCC3)CC2)c(=O)[nH]c1=O ZINC000141712329 1194891166 /nfs/dbraw/zinc/89/11/66/1194891166.db2.gz JCZIZAKKWAUVTB-UHFFFAOYSA-N 0 3 377.489 0.662 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000116198675 1194893132 /nfs/dbraw/zinc/89/31/32/1194893132.db2.gz FBDDVUPROAYQEK-NSHDSACASA-N 0 3 384.462 0.355 20 0 GCADHN C[C@@H](O)CCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000435160461 1194894513 /nfs/dbraw/zinc/89/45/13/1194894513.db2.gz HSWVOOWVVQPNJE-GFCCVEGCSA-N 0 3 378.429 0.372 20 0 GCADHN CCOC(=O)CNC(=O)C1CCN(C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000435175682 1194895879 /nfs/dbraw/zinc/89/58/79/1194895879.db2.gz CMRDYLQHEYLPFY-UHFFFAOYSA-N 0 3 398.504 0.198 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000514728920 1194900885 /nfs/dbraw/zinc/90/08/85/1194900885.db2.gz DDVYKFOWELGRSR-MRXNPFEDSA-N 0 3 376.505 0.753 20 0 GCADHN C[C@@]1(NC(=O)CN2CCN(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 ZINC000514736517 1194902234 /nfs/dbraw/zinc/90/22/34/1194902234.db2.gz MAJCHPIYZZYKST-LJQANCHMSA-N 0 3 394.541 0.344 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(-c3ccccc3)nn2C)CC1=O ZINC000425309175 1194905283 /nfs/dbraw/zinc/90/52/83/1194905283.db2.gz CXQLDZCIEOVAEG-KRWDZBQOSA-N 0 3 399.495 0.996 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2cccc(N3CCC3=O)c2)CC1 ZINC000514774696 1194906766 /nfs/dbraw/zinc/90/67/66/1194906766.db2.gz QTBQVRHQXIQLFV-UHFFFAOYSA-N 0 3 399.495 0.873 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C2(c3ccccc3)CC(=O)C2)CC1=O ZINC000425313151 1194906781 /nfs/dbraw/zinc/90/67/81/1194906781.db2.gz HRBPBBCDTVMXNJ-QGZVFWFLSA-N 0 3 387.480 0.583 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccnn2C2CCCC2)CC1=O ZINC000425308474 1194907380 /nfs/dbraw/zinc/90/73/80/1194907380.db2.gz BYVORMLNGFTHBM-HNNXBMFYSA-N 0 3 377.489 0.907 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)CC1=O ZINC000425316249 1194909154 /nfs/dbraw/zinc/90/91/54/1194909154.db2.gz LGCXJKLGVWXSFK-HNNXBMFYSA-N 0 3 394.447 0.693 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)cn1 ZINC000514787443 1194909179 /nfs/dbraw/zinc/90/91/79/1194909179.db2.gz ULLYZWXILKLWDN-INIZCTEOSA-N 0 3 378.473 0.664 20 0 GCADHN C[C@@H]1[C@H](NC(=O)N2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)CCCN1C ZINC000435266450 1194909218 /nfs/dbraw/zinc/90/92/18/1194909218.db2.gz GYQPHLBEPCOKEX-OWCLPIDISA-N 0 3 392.504 0.110 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCC(=O)c3cccn32)CC1=O ZINC000425318745 1194909520 /nfs/dbraw/zinc/90/95/20/1194909520.db2.gz PBNMDIJWROWPOD-ZBFHGGJFSA-N 0 3 376.457 0.301 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)c3cccn32)CC1=O ZINC000425318744 1194909703 /nfs/dbraw/zinc/90/97/03/1194909703.db2.gz PBNMDIJWROWPOD-HOCLYGCPSA-N 0 3 376.457 0.301 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2Cc3ccccc3S2)CC1=O ZINC000425318368 1194909948 /nfs/dbraw/zinc/90/99/48/1194909948.db2.gz OMJXRYJFCPANAD-NVXWUHKLSA-N 0 3 377.510 0.999 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnn(-c3cccnc3)c2)CC1=O ZINC000425319452 1194910050 /nfs/dbraw/zinc/91/00/50/1194910050.db2.gz QALNUKYBHJDLFW-INIZCTEOSA-N 0 3 386.456 0.176 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c(C)nsc2NC2CC2)CC1=O ZINC000425323350 1194914020 /nfs/dbraw/zinc/91/40/20/1194914020.db2.gz UVVRCJSCJNHOES-AWEZNQCLSA-N 0 3 395.529 0.935 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)nn1 ZINC000514860280 1194921799 /nfs/dbraw/zinc/92/17/99/1194921799.db2.gz MXSCKAMMKUWHGS-RTBURBONSA-N 0 3 384.484 0.801 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)Cc1ccccc1 ZINC000514877795 1194922283 /nfs/dbraw/zinc/92/22/83/1194922283.db2.gz RAXLDJYODMZCFL-GOSISDBHSA-N 0 3 397.479 0.217 20 0 GCADHN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000514873236 1194923903 /nfs/dbraw/zinc/92/39/03/1194923903.db2.gz MAUJXCSLKXLUMD-VNQPRFMTSA-N 0 3 390.509 0.826 20 0 GCADHN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000514873233 1194923952 /nfs/dbraw/zinc/92/39/52/1194923952.db2.gz MAUJXCSLKXLUMD-FVQBIDKESA-N 0 3 390.509 0.826 20 0 GCADHN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425378716 1194931152 /nfs/dbraw/zinc/93/11/52/1194931152.db2.gz CAKWPWNENIIQAR-IRRNSTBUSA-N 0 3 377.510 0.935 20 0 GCADHN CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425378170 1194931300 /nfs/dbraw/zinc/93/13/00/1194931300.db2.gz BPECRKMFSWWZCR-IPMKNSEASA-N 0 3 389.496 0.575 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000425378187 1194931337 /nfs/dbraw/zinc/93/13/37/1194931337.db2.gz BRJLJFIBDHGXAB-GBESFXJTSA-N 0 3 387.480 0.593 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)CCN2C1=O ZINC000514951566 1194932851 /nfs/dbraw/zinc/93/28/51/1194932851.db2.gz SKQCAWCQRRDMCZ-SJORKVTESA-N 0 3 379.420 0.718 20 0 GCADHN O=C(C(=O)N1CCn2cncc2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425379272 1194933515 /nfs/dbraw/zinc/93/35/15/1194933515.db2.gz AJGQEEZHGVIXLY-PKOBYXMFSA-N 0 3 379.464 0.958 20 0 GCADHN C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425383674 1194934589 /nfs/dbraw/zinc/93/45/89/1194934589.db2.gz ISBIAWWFUFFBJJ-NZSAHSFTSA-N 0 3 385.512 0.839 20 0 GCADHN COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)NC[C@H]2CCCN2C)c1 ZINC000435610824 1194947238 /nfs/dbraw/zinc/94/72/38/1194947238.db2.gz NCMDCEQOIYWYMO-CYBMUJFWSA-N 0 3 389.460 0.915 20 0 GCADHN CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425396312 1194948028 /nfs/dbraw/zinc/94/80/28/1194948028.db2.gz YMQSDQDCRIRCBN-YESZJQIVSA-N 0 3 378.517 0.694 20 0 GCADHN CC(=O)N[C@@H](CC(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C(N)=O ZINC000435637875 1194948992 /nfs/dbraw/zinc/94/89/92/1194948992.db2.gz QHQFFJFHTUMEPQ-IRXDYDNUSA-N 0 3 398.467 0.649 20 0 GCADHN C[C@@H](O)CN(C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@@H](C)CO ZINC000425404278 1194959083 /nfs/dbraw/zinc/95/90/83/1194959083.db2.gz POVWPKZPTOPADJ-OGWHTMIXSA-N 0 3 389.496 0.310 20 0 GCADHN C[C@@H](O)CN(C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@H](C)CO ZINC000425404284 1194959349 /nfs/dbraw/zinc/95/93/49/1194959349.db2.gz POVWPKZPTOPADJ-ZAWLATJESA-N 0 3 389.496 0.310 20 0 GCADHN Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000515247629 1194960878 /nfs/dbraw/zinc/96/08/78/1194960878.db2.gz QSMKOSKAIWDSAP-INIZCTEOSA-N 0 3 390.532 0.838 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000664501334 1194962891 /nfs/dbraw/zinc/96/28/91/1194962891.db2.gz UILVHLXWCCMPGU-UHFFFAOYSA-N 0 3 388.472 0.941 20 0 GCADHN C[C@@]1(NC(=O)C2CCN(S(N)(=O)=O)CC2)CCN(Cc2ccccc2)C1 ZINC000515306834 1194965449 /nfs/dbraw/zinc/96/54/49/1194965449.db2.gz BULXAQLHDHBDKI-GOSISDBHSA-N 0 3 380.514 0.683 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CC1 ZINC000435803254 1194966158 /nfs/dbraw/zinc/96/61/58/1194966158.db2.gz CZRJANCYBSLXAR-INIZCTEOSA-N 0 3 397.564 0.464 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000515373364 1194969976 /nfs/dbraw/zinc/96/99/76/1194969976.db2.gz QPKBZPGNDLYXGY-OXQOHEQNSA-N 0 3 395.500 0.501 20 0 GCADHN Cn1nccc1[C@H]1[C@H](NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC(=O)N1C1CC1 ZINC000284896277 1194970993 /nfs/dbraw/zinc/97/09/93/1194970993.db2.gz GGFLZSQGDPCTAK-OIWLHUINSA-N 0 3 386.500 0.960 20 0 GCADHN CC(=O)CCc1ccc(OC[C@H](O)CNC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000515414146 1194973631 /nfs/dbraw/zinc/97/36/31/1194973631.db2.gz CVVPCTKAKGVKJD-SJLPKXTDSA-N 0 3 385.482 0.351 20 0 GCADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000515535350 1194981915 /nfs/dbraw/zinc/98/19/15/1194981915.db2.gz PUUINXOEGSWJMS-HZPDHXFCSA-N 0 3 385.505 0.256 20 0 GCADHN COCC(C)(C)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000436090666 1194984699 /nfs/dbraw/zinc/98/46/99/1194984699.db2.gz RVCZADGLRUPXNZ-UHFFFAOYSA-N 0 3 399.513 0.338 20 0 GCADHN COCC(C)(C)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000436094442 1194985518 /nfs/dbraw/zinc/98/55/18/1194985518.db2.gz ZHMKOIPRHJBFSC-UHFFFAOYSA-N 0 3 387.477 0.673 20 0 GCADHN COCC(C)(C)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000436095063 1194985922 /nfs/dbraw/zinc/98/59/22/1194985922.db2.gz ZSYKNMSDPARBFQ-UHFFFAOYSA-N 0 3 385.486 0.661 20 0 GCADHN Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)nc(C)n1 ZINC000515673322 1194990283 /nfs/dbraw/zinc/99/02/83/1194990283.db2.gz UXGQLEZIUOWBGM-JKSUJKDBSA-N 0 3 387.488 0.016 20 0 GCADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000515704085 1194992405 /nfs/dbraw/zinc/99/24/05/1194992405.db2.gz LEEZSYUPMSNSDA-OAHLLOKOSA-N 0 3 399.561 0.761 20 0 GCADHN CN1CCN(CCC(=O)N2CC3(C2)SCC[C@H]3C(=O)NC(C)(C)C)CC1 ZINC001270067905 1194993215 /nfs/dbraw/zinc/99/32/15/1194993215.db2.gz RHGRVEIFMCCLKO-HNNXBMFYSA-N 0 3 382.574 0.873 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000664541268 1194995317 /nfs/dbraw/zinc/99/53/17/1194995317.db2.gz QDUURGRHSBMCGY-IRXDYDNUSA-N 0 3 398.529 0.437 20 0 GCADHN CC[C@@](C)(CO)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000515754443 1194995443 /nfs/dbraw/zinc/99/54/43/1194995443.db2.gz SELMZXQVBQBOPX-FQEVSTJZSA-N 0 3 390.484 0.600 20 0 GCADHN CN(CCN1CCN(C(=O)CN2CCN(C)C(=O)C2)CC1)Cc1ccccc1 ZINC000436331387 1194997254 /nfs/dbraw/zinc/99/72/54/1194997254.db2.gz FYFCGCCESZCPDT-UHFFFAOYSA-N 0 3 387.528 0.037 20 0 GCADHN CON(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000286295570 1194999141 /nfs/dbraw/zinc/99/91/41/1194999141.db2.gz GBYHTWCUBYNGLT-QGZVFWFLSA-N 0 3 390.484 0.636 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)NC2CCN(Cc3ccncc3)CC2)CC1 ZINC000515840948 1195001453 /nfs/dbraw/zinc/00/14/53/1195001453.db2.gz BJEJDOKIYUAEIS-UHFFFAOYSA-N 0 3 388.516 0.556 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccnc1OCC(F)F ZINC000664554186 1195001864 /nfs/dbraw/zinc/00/18/64/1195001864.db2.gz IHBYVGXFMPBILP-UHFFFAOYSA-N 0 3 387.431 0.887 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000515886965 1195005028 /nfs/dbraw/zinc/00/50/28/1195005028.db2.gz UINALWGLDWQKHS-UHFFFAOYSA-N 0 3 389.500 0.215 20 0 GCADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425551600 1195007427 /nfs/dbraw/zinc/00/74/27/1195007427.db2.gz QMRVOQYSVORILQ-NEPJUHHUSA-N 0 3 390.469 0.219 20 0 GCADHN CCN(CC(=O)NCc1cccs1)C(=O)CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425553865 1195008364 /nfs/dbraw/zinc/00/83/64/1195008364.db2.gz VCDNWJDXCYMCHB-CYBMUJFWSA-N 0 3 376.486 0.820 20 0 GCADHN CSCC[C@H](C(=O)NCCN(C)CCO)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000925009312 1195015080 /nfs/dbraw/zinc/01/50/80/1195015080.db2.gz JSFWQUDOCKVOAQ-SOUVJXGZSA-N 0 3 385.530 0.324 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]3COCCO3)cc2)CC1 ZINC000516064226 1195018835 /nfs/dbraw/zinc/01/88/35/1195018835.db2.gz LSYCZEHIKVVKSH-GOSISDBHSA-N 0 3 390.484 0.294 20 0 GCADHN CC(=O)NCC[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000516065782 1195019644 /nfs/dbraw/zinc/01/96/44/1195019644.db2.gz SNIWDFPUHCPTLU-QFBILLFUSA-N 0 3 386.496 0.836 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)NC[C@H]2C)c1 ZINC000505857876 1195023527 /nfs/dbraw/zinc/02/35/27/1195023527.db2.gz WMKSRWPNBUJJBH-ZIAGYGMSSA-N 0 3 384.502 0.088 20 0 GCADHN Cc1ccc(C(=O)NCCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000436677654 1195024599 /nfs/dbraw/zinc/02/45/99/1195024599.db2.gz YNNSQSDRAZGQOY-HNNXBMFYSA-N 0 3 390.484 0.524 20 0 GCADHN Cc1ccc(C(=O)NCCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000436677654 1195024602 /nfs/dbraw/zinc/02/46/02/1195024602.db2.gz YNNSQSDRAZGQOY-HNNXBMFYSA-N 0 3 390.484 0.524 20 0 GCADHN C[C@@H](N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1)C(F)(F)F ZINC000516158764 1195027140 /nfs/dbraw/zinc/02/71/40/1195027140.db2.gz SOTSSPUNGXUFTO-KGLIPLIRSA-N 0 3 376.423 0.778 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccnn1CCN(C)C ZINC000436711482 1195028592 /nfs/dbraw/zinc/02/85/92/1195028592.db2.gz IMVYENYACVETCW-NSHDSACASA-N 0 3 384.462 0.355 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)c1nnc2n1CCC2 ZINC000516189896 1195032230 /nfs/dbraw/zinc/03/22/30/1195032230.db2.gz WQIKNTWMBZWIRT-ZBFHGGJFSA-N 0 3 384.484 0.691 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(C(F)(F)F)nn2C)CC1 ZINC000664584718 1195038863 /nfs/dbraw/zinc/03/88/63/1195038863.db2.gz IWZDAKTVIDNGQA-NSHDSACASA-N 0 3 390.410 0.520 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664589212 1195045409 /nfs/dbraw/zinc/04/54/09/1195045409.db2.gz XCTJTZAFLVPRAE-NSHDSACASA-N 0 3 391.394 0.947 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)nn2C)CC1 ZINC000664589659 1195046574 /nfs/dbraw/zinc/04/65/74/1195046574.db2.gz FEIBMRAAJZOCMV-UHFFFAOYSA-N 0 3 377.367 0.604 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000366657231 1195048691 /nfs/dbraw/zinc/04/86/91/1195048691.db2.gz UQHSJTVPFZKHDQ-HOTGVXAUSA-N 0 3 381.498 0.351 20 0 GCADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@@H]1O ZINC000664594800 1195053438 /nfs/dbraw/zinc/05/34/38/1195053438.db2.gz HIDCEJONBHVBRH-KKUMJFAQSA-N 0 3 384.839 0.901 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000288247379 1195053709 /nfs/dbraw/zinc/05/37/09/1195053709.db2.gz SRPVFTFDNAFZQU-UHFFFAOYSA-N 0 3 396.435 0.905 20 0 GCADHN O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436991616 1195054441 /nfs/dbraw/zinc/05/44/41/1195054441.db2.gz RTELFTBLLOABDN-AWEZNQCLSA-N 0 3 384.440 0.506 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CO1 ZINC000516465273 1195056881 /nfs/dbraw/zinc/05/68/81/1195056881.db2.gz AVQDYMCPOKPROK-WCQYABFASA-N 0 3 376.413 0.388 20 0 GCADHN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c2)n1 ZINC000516584983 1195071096 /nfs/dbraw/zinc/07/10/96/1195071096.db2.gz HNEOOYVGKQFNGB-GJZGRUSLSA-N 0 3 397.435 0.667 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN1CCSCC1 ZINC000288794533 1195074426 /nfs/dbraw/zinc/07/44/26/1195074426.db2.gz ZPDYSPAHTACPEK-AEFFLSMTSA-N 0 3 390.553 0.788 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)N2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000437244808 1195087881 /nfs/dbraw/zinc/08/78/81/1195087881.db2.gz NSIUANRZXJSXHU-IXDOHACOSA-N 0 3 386.562 0.920 20 0 GCADHN Cn1nc(C(F)(F)F)cc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000664621598 1195090762 /nfs/dbraw/zinc/09/07/62/1195090762.db2.gz KPNPKOAUDLLZLW-SNVBAGLBSA-N 0 3 377.367 0.340 20 0 GCADHN Cc1cn2c(n1)[C@@H](CNC(=O)NCCCCN1CCN(CCO)CC1)CCC2 ZINC000506032765 1195097923 /nfs/dbraw/zinc/09/79/23/1195097923.db2.gz OOQMQFCZSTWDQT-GOSISDBHSA-N 0 3 392.548 0.758 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425811384 1195113985 /nfs/dbraw/zinc/11/39/85/1195113985.db2.gz LDYKZSTVQBMSIE-XJKSGUPXSA-N 0 3 394.497 0.428 20 0 GCADHN CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425818129 1195120408 /nfs/dbraw/zinc/12/04/08/1195120408.db2.gz IKDFBZODXTWBGH-WMLDXEAASA-N 0 3 388.468 0.645 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)ccc1F ZINC000425823032 1195121443 /nfs/dbraw/zinc/12/14/43/1195121443.db2.gz VHYCTRXJSTUAMF-SMDDNHRTSA-N 0 3 398.460 0.225 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c(OC)c1 ZINC000425823644 1195123801 /nfs/dbraw/zinc/12/38/01/1195123801.db2.gz WXPFMNASLBAHAS-DZGCQCFKSA-N 0 3 375.425 0.973 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000517029566 1195126243 /nfs/dbraw/zinc/12/62/43/1195126243.db2.gz VSONKZQAUUFJJN-JSGCOSHPSA-N 0 3 389.460 0.153 20 0 GCADHN CCOC(=O)Cn1nc(C)c(CN2CCN(C(=O)CN3CCCC3)CC2)c1C ZINC000437599362 1195128073 /nfs/dbraw/zinc/12/80/73/1195128073.db2.gz GBPCOZLTKORBSB-UHFFFAOYSA-N 0 3 391.516 0.803 20 0 GCADHN CCCCN1CCc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc21 ZINC000517042563 1195128709 /nfs/dbraw/zinc/12/87/09/1195128709.db2.gz YLOOTYDVRMANEM-IAGOWNOFSA-N 0 3 399.495 0.558 20 0 GCADHN Cc1cc(N2CCC(NC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)CC2)n[nH]1 ZINC000894339002 1195130841 /nfs/dbraw/zinc/13/08/41/1195130841.db2.gz XDLICVIESASODD-SJORKVTESA-N 0 3 376.505 0.928 20 0 GCADHN CS(=O)(=O)CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000425847174 1195134478 /nfs/dbraw/zinc/13/44/78/1195134478.db2.gz RZFYVIRWZRZUDR-QZTJIDSGSA-N 0 3 397.541 0.993 20 0 GCADHN COC(=O)CC[C@@H](N)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000290473740 1195136013 /nfs/dbraw/zinc/13/60/13/1195136013.db2.gz XCIKVENVMJFRBS-IAGOWNOFSA-N 0 3 379.457 0.465 20 0 GCADHN Cc1ncc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(=O)[nH]1 ZINC000517108634 1195137056 /nfs/dbraw/zinc/13/70/56/1195137056.db2.gz FQQZCXNFRXSCHL-GOOCMWNKSA-N 0 3 376.461 0.373 20 0 GCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCSCC3)c2)CC1 ZINC000517113317 1195139235 /nfs/dbraw/zinc/13/92/35/1195139235.db2.gz NIYCETAWTYBSCA-UHFFFAOYSA-N 0 3 390.509 0.898 20 0 GCADHN O=C(c1ccc2c(c1)CNC2)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000517140210 1195141132 /nfs/dbraw/zinc/14/11/32/1195141132.db2.gz QYBCWPCPNJGKSJ-KRWDZBQOSA-N 0 3 379.482 0.556 20 0 GCADHN COCCOCCCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425865537 1195141657 /nfs/dbraw/zinc/14/16/57/1195141657.db2.gz OUZYYKINXIOBLX-RBUKOAKNSA-N 0 3 389.496 0.889 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000549994856 1195142767 /nfs/dbraw/zinc/14/27/67/1195142767.db2.gz RLIMYSCFVUKNCQ-HZPDHXFCSA-N 0 3 396.557 0.940 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(N2CCCC2=O)CC1 ZINC000517148199 1195143155 /nfs/dbraw/zinc/14/31/55/1195143155.db2.gz HEIGUMIBZRMMDU-QGZVFWFLSA-N 0 3 393.532 0.726 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)Cc2ccccc2C1 ZINC000425891129 1195151334 /nfs/dbraw/zinc/15/13/34/1195151334.db2.gz SNHIHTPVJPHHPY-SFHVURJKSA-N 0 3 396.495 0.657 20 0 GCADHN CC(C)N1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1=O ZINC000425894660 1195153687 /nfs/dbraw/zinc/15/36/87/1195153687.db2.gz ZDIJXNCGDVYLBL-IPMKNSEASA-N 0 3 398.507 0.845 20 0 GCADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425893883 1195156055 /nfs/dbraw/zinc/15/60/55/1195156055.db2.gz SQDKWKXCDKZJBK-IPMKNSEASA-N 0 3 398.507 0.846 20 0 GCADHN CN1CC[C@@H](CNC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1=O ZINC000425900185 1195157322 /nfs/dbraw/zinc/15/73/22/1195157322.db2.gz DPXAMCCGPWIQID-CEXWTWQISA-N 0 3 398.507 0.704 20 0 GCADHN COc1ccnc(CNC(=O)C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)n1 ZINC000425902564 1195160938 /nfs/dbraw/zinc/16/09/38/1195160938.db2.gz VXVNPDSVGJHXNO-INIZCTEOSA-N 0 3 398.467 0.477 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1ccccc1OCCO)N1CCC[C@H](C)C1 ZINC000506154952 1195170280 /nfs/dbraw/zinc/17/02/80/1195170280.db2.gz DEMSHMYXOQJTSU-JKSUJKDBSA-N 0 3 377.485 0.911 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000517314567 1195170751 /nfs/dbraw/zinc/17/07/51/1195170751.db2.gz YODNKMCMDXJHKF-QZTJIDSGSA-N 0 3 390.528 0.933 20 0 GCADHN Nc1noc(CCNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000437915898 1195173149 /nfs/dbraw/zinc/17/31/49/1195173149.db2.gz MKOLBMANLBKQEK-UHFFFAOYSA-N 0 3 387.488 0.701 20 0 GCADHN CN1CCN([C@H](C(=O)NCCCN2CCC[C@@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407248 1195180326 /nfs/dbraw/zinc/18/03/26/1195180326.db2.gz SMZVJMAQSIXRTR-MOPGFXCFSA-N 0 3 387.528 0.431 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000517451962 1195183625 /nfs/dbraw/zinc/18/36/25/1195183625.db2.gz ZZKARHJRCRSZHO-HOTGVXAUSA-N 0 3 385.534 0.303 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)C[C@@H]1O ZINC000664675848 1195185871 /nfs/dbraw/zinc/18/58/71/1195185871.db2.gz WBNZMMYGNBSYFS-HOTGVXAUSA-N 0 3 382.486 0.043 20 0 GCADHN CCOC(=O)Cn1nc(C)c(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1C ZINC000438119578 1195186423 /nfs/dbraw/zinc/18/64/23/1195186423.db2.gz KASFRFZDLLSGMG-IBGZPJMESA-N 0 3 391.472 0.873 20 0 GCADHN CS(=O)(=O)N1CCC(CNC(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000517538377 1195189289 /nfs/dbraw/zinc/18/92/89/1195189289.db2.gz IRPMVDMGEXZUID-KRWDZBQOSA-N 0 3 380.514 0.844 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC3(CO)COC3)c(C)c2)CC1 ZINC000438253133 1195200472 /nfs/dbraw/zinc/20/04/72/1195200472.db2.gz QDSREVINWRXSAA-UHFFFAOYSA-N 0 3 390.484 0.201 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438334294 1195206590 /nfs/dbraw/zinc/20/65/90/1195206590.db2.gz YTBGFOMXSWCELL-KRWDZBQOSA-N 0 3 394.520 0.790 20 0 GCADHN CN(CCNC(=O)Nc1ccn(CCN2CCOCC2)n1)Cc1ccccc1 ZINC000438324449 1195206798 /nfs/dbraw/zinc/20/67/98/1195206798.db2.gz LETRGKYQDBBAOQ-UHFFFAOYSA-N 0 3 386.500 1.469 20 0 GCADHN COC(=O)CCc1nnc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)s1 ZINC000438323011 1195207095 /nfs/dbraw/zinc/20/70/95/1195207095.db2.gz OVUQMGQVWVWDDZ-LBPRGKRZSA-N 0 3 385.490 1.218 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000517773655 1195215870 /nfs/dbraw/zinc/21/58/70/1195215870.db2.gz RAFIRUVNNTUSRX-UHFFFAOYSA-N 0 3 396.580 0.304 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000517819245 1195220397 /nfs/dbraw/zinc/22/03/97/1195220397.db2.gz RDXIRMYVRSYUMU-ZIAGYGMSSA-N 0 3 376.457 0.726 20 0 GCADHN CCN1CCN(CCC(=O)N(Cc2ccccc2)[C@H](C(=O)OC)[C@@H](C)O)CC1 ZINC000426120796 1195240867 /nfs/dbraw/zinc/24/08/67/1195240867.db2.gz URSFNVWBGCCABU-XLIONFOSSA-N 0 3 391.512 0.965 20 0 GCADHN COC(=O)C1CCN(C(=O)[C@@H](C)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426123519 1195241768 /nfs/dbraw/zinc/24/17/68/1195241768.db2.gz NSULHEBTWPPQSB-YPMHNXCESA-N 0 3 393.406 0.787 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2nnc3n2CCC3)CC1 ZINC000518126015 1195250573 /nfs/dbraw/zinc/25/05/73/1195250573.db2.gz YPKKUKPAPBZEPS-CQSZACIVSA-N 0 3 377.493 0.481 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426161546 1195252400 /nfs/dbraw/zinc/25/24/00/1195252400.db2.gz NVRMNAUPTGORLU-CYBMUJFWSA-N 0 3 393.406 0.789 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)Cc2ccccc2C1 ZINC000506400048 1195258130 /nfs/dbraw/zinc/25/81/30/1195258130.db2.gz JHUNNEPSWPAVIV-ZWKOTPCHSA-N 0 3 398.507 0.471 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOC3(CNC3)C2)C(C)C)cc1 ZINC000664726091 1195262219 /nfs/dbraw/zinc/26/22/19/1195262219.db2.gz NYYPIOAVJXKVFU-MRXNPFEDSA-N 0 3 397.497 0.199 20 0 GCADHN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438880952 1195265449 /nfs/dbraw/zinc/26/54/49/1195265449.db2.gz CVLHATXQNAHAPG-KRWDZBQOSA-N 0 3 382.468 1.205 20 0 GCADHN O=C(CN1CCC[C@H]1CCO)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000426218548 1195266454 /nfs/dbraw/zinc/26/64/54/1195266454.db2.gz UFDIXNXMUJCXRW-SFHVURJKSA-N 0 3 395.525 0.507 20 0 GCADHN COCCN(C)C[C@H](O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000518217397 1195268418 /nfs/dbraw/zinc/26/84/18/1195268418.db2.gz QWAHDVOBBMUFHS-IFXJQAMLSA-N 0 3 393.440 0.207 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000518225827 1195270232 /nfs/dbraw/zinc/27/02/32/1195270232.db2.gz BVOKNKLIPURAPF-IBGZPJMESA-N 0 3 392.525 0.258 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)C[C@](C)(O)C(F)(F)F)C2)OCC1=O ZINC001270414182 1195270255 /nfs/dbraw/zinc/27/02/55/1195270255.db2.gz KMMFJKGFKYBCPH-GJZGRUSLSA-N 0 3 381.395 0.081 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)C[C@](C)(O)C(F)(F)F)C2)OCC1=O ZINC001270414189 1195270395 /nfs/dbraw/zinc/27/03/95/1195270395.db2.gz KMMFJKGFKYBCPH-LSDHHAIUSA-N 0 3 381.395 0.081 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000729431481 1195271123 /nfs/dbraw/zinc/27/11/23/1195271123.db2.gz JRWUSUKSYWOMNU-ZDUSSCGKSA-N 0 3 376.461 0.571 20 0 GCADHN CSCC(=O)N1C[C@]2(F)CN(CCCN3CCN(C)CC3)C(=O)[C@]2(F)C1 ZINC001270422984 1195275105 /nfs/dbraw/zinc/27/51/05/1195275105.db2.gz GQRKQUGOCPFAJI-IAGOWNOFSA-N 0 3 390.500 0.088 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCN3)CC1 ZINC000414977460 1195280820 /nfs/dbraw/zinc/28/08/20/1195280820.db2.gz PVHRVMUVRKLQNX-QGZVFWFLSA-N 0 3 385.468 0.358 20 0 GCADHN O=C(CN1CCC[C@@H]1CCO)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000426265349 1195280833 /nfs/dbraw/zinc/28/08/33/1195280833.db2.gz UOWLOBLBFIFRHR-MRXNPFEDSA-N 0 3 381.498 0.366 20 0 GCADHN C[C@H](c1ccc(NC(=O)NCC(=O)N2CCNCC2)cc1)N1CCOCC1 ZINC000518339442 1195282008 /nfs/dbraw/zinc/28/20/08/1195282008.db2.gz NBTYSTWMQRZUHB-OAHLLOKOSA-N 0 3 375.473 0.633 20 0 GCADHN CN(c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CCCC1 ZINC000518398711 1195286545 /nfs/dbraw/zinc/28/65/45/1195286545.db2.gz ZBJXVBLTGHJYTO-CVEARBPZSA-N 0 3 399.495 0.774 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000518422044 1195289694 /nfs/dbraw/zinc/28/96/94/1195289694.db2.gz DMQBGRDFYPYKSI-UHFFFAOYSA-N 0 3 387.484 0.448 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000518471173 1195293337 /nfs/dbraw/zinc/29/33/37/1195293337.db2.gz PNKAGLVCNLDNTR-GOSISDBHSA-N 0 3 395.548 0.293 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000439195435 1195294184 /nfs/dbraw/zinc/29/41/84/1195294184.db2.gz BLAKAISUWYVPPL-UHFFFAOYSA-N 0 3 382.486 0.229 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000439206692 1195294732 /nfs/dbraw/zinc/29/47/32/1195294732.db2.gz RMFMGIGCXSFKIQ-UHFFFAOYSA-N 0 3 394.497 0.620 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000439204159 1195296429 /nfs/dbraw/zinc/29/64/29/1195296429.db2.gz PZGOODVTCUTNDK-HNNXBMFYSA-N 0 3 386.452 0.385 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O ZINC000439211141 1195297293 /nfs/dbraw/zinc/29/72/93/1195297293.db2.gz NISQNLUANXSYJH-UHFFFAOYSA-N 0 3 385.461 0.863 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000439221738 1195298479 /nfs/dbraw/zinc/29/84/79/1195298479.db2.gz IVCWEZQSTRRMBN-UHFFFAOYSA-N 0 3 381.498 0.766 20 0 GCADHN C[C@H](C[C@H]1CCCC(=O)N1)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000638602066 1195299940 /nfs/dbraw/zinc/29/99/40/1195299940.db2.gz KKSVWFQLTXHHDU-GDBMZVCRSA-N 0 3 383.514 0.836 20 0 GCADHN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518561899 1195303786 /nfs/dbraw/zinc/30/37/86/1195303786.db2.gz SYLXHZJAAPMUAE-ULQDDVLXSA-N 0 3 395.525 0.437 20 0 GCADHN N[C@H]1C[C@@H]2CN(CC(=O)N3c4ccccc4NC(=O)C34CCCC4)CCN2C1=O ZINC000518563983 1195304386 /nfs/dbraw/zinc/30/43/86/1195304386.db2.gz CBVCJCZXZAIJIX-CABCVRRESA-N 0 3 397.479 0.528 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cccc(C(=O)NC2CC2)c1 ZINC000439340905 1195309878 /nfs/dbraw/zinc/30/98/78/1195309878.db2.gz NXYIJNMCUDCIEJ-UHFFFAOYSA-N 0 3 388.512 0.699 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000518633330 1195313899 /nfs/dbraw/zinc/31/38/99/1195313899.db2.gz RRCXHWPRUQTKPK-UHFFFAOYSA-N 0 3 394.447 0.869 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N(CCO)CC3CC3)cn2)CC1 ZINC000506565191 1195317206 /nfs/dbraw/zinc/31/72/06/1195317206.db2.gz USLDMAMTLJOMNZ-UHFFFAOYSA-N 0 3 376.457 0.724 20 0 GCADHN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nn1C ZINC000439454220 1195322922 /nfs/dbraw/zinc/32/29/22/1195322922.db2.gz QXBZSTONRZPGCV-SJORKVTESA-N 0 3 385.468 0.666 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000518738475 1195325128 /nfs/dbraw/zinc/32/51/28/1195325128.db2.gz QNGHCXAQLRHLBZ-SFHVURJKSA-N 0 3 375.469 0.668 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)nn1C ZINC000439483327 1195326347 /nfs/dbraw/zinc/32/63/47/1195326347.db2.gz IHQLFXZZAUHBLP-UHFFFAOYSA-N 0 3 398.511 1.386 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(CCOCCO)CCN(C)C)c2cccnc12 ZINC000439632846 1195337334 /nfs/dbraw/zinc/33/73/34/1195337334.db2.gz JWSDMNNJUZCBER-UHFFFAOYSA-N 0 3 388.468 0.881 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CN1C1CC1 ZINC000518832849 1195338167 /nfs/dbraw/zinc/33/81/67/1195338167.db2.gz WYAKOSHTSBBYJR-IXDOHACOSA-N 0 3 378.517 0.299 20 0 GCADHN Cc1cc2cccnc2c(NC(=O)C(=O)N(CCOCCO)CCN(C)C)c1 ZINC000439630785 1195338754 /nfs/dbraw/zinc/33/87/54/1195338754.db2.gz ZLDVKISCTQYSPH-UHFFFAOYSA-N 0 3 388.468 0.881 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000439630722 1195338924 /nfs/dbraw/zinc/33/89/24/1195338924.db2.gz DJRUFFFSPBMLQW-UHFFFAOYSA-N 0 3 377.363 0.442 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)N1CCCc2ccc(F)cc21 ZINC000439626134 1195339013 /nfs/dbraw/zinc/33/90/13/1195339013.db2.gz VNQSCKWISPMVRX-UHFFFAOYSA-N 0 3 381.448 0.504 20 0 GCADHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccccn1)C(=O)N1CCOCC1 ZINC000439646093 1195339555 /nfs/dbraw/zinc/33/95/55/1195339555.db2.gz LSAPWJBWMNFPLN-QGZVFWFLSA-N 0 3 377.489 0.792 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(CCOCCO)CCN(C)C)c2ccccc2O1 ZINC000439656341 1195339826 /nfs/dbraw/zinc/33/98/26/1195339826.db2.gz ZKWJCTNCKISLIB-OAHLLOKOSA-N 0 3 379.457 0.200 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000426512982 1195359717 /nfs/dbraw/zinc/35/97/17/1195359717.db2.gz ZKDQHIJIIYQQQN-UHFFFAOYSA-N 0 3 380.420 0.305 20 0 GCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000519099486 1195369577 /nfs/dbraw/zinc/36/95/77/1195369577.db2.gz WMQMBCZUQIZCRB-UHFFFAOYSA-N 0 3 391.472 0.605 20 0 GCADHN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)[C@@H]1CCCN1C1CCCC1 ZINC000439974924 1195371574 /nfs/dbraw/zinc/37/15/74/1195371574.db2.gz YOFCQWLTHMNYCQ-IRXDYDNUSA-N 0 3 387.546 0.998 20 0 GCADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)C(F)(F)C(F)(F)F)C2 ZINC001270555262 1195373053 /nfs/dbraw/zinc/37/30/53/1195373053.db2.gz MFJOVKLLSXUAGQ-CYBMUJFWSA-N 0 3 387.349 0.823 20 0 GCADHN C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000519166618 1195377386 /nfs/dbraw/zinc/37/73/86/1195377386.db2.gz VLASUFZPAGUMPX-UHFFFAOYSA-N 0 3 394.431 0.792 20 0 GCADHN COC[C@@H](C)n1ccc(NC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)n1 ZINC000426561379 1195381412 /nfs/dbraw/zinc/38/14/12/1195381412.db2.gz VNIUASGFFJKHNQ-CQSZACIVSA-N 0 3 395.504 1.035 20 0 GCADHN COCC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000440091067 1195382321 /nfs/dbraw/zinc/38/23/21/1195382321.db2.gz JJZUIUMOIXTPFH-CQSZACIVSA-N 0 3 380.445 0.007 20 0 GCADHN CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000440092356 1195384103 /nfs/dbraw/zinc/38/41/03/1195384103.db2.gz OEMYXKRNTOQKQN-CYBMUJFWSA-N 0 3 387.502 0.933 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000519240745 1195385611 /nfs/dbraw/zinc/38/56/11/1195385611.db2.gz LSBGOGWICBEUJI-UHFFFAOYSA-N 0 3 388.468 0.761 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000519288519 1195389190 /nfs/dbraw/zinc/38/91/90/1195389190.db2.gz BRRGMDOZPNYQQK-LSDHHAIUSA-N 0 3 398.573 0.993 20 0 GCADHN CCOC(=O)Cn1cc(CN[C@@H]2CC(=O)N(C3CC3)C2)c(-c2cnn(C)c2)n1 ZINC000894396834 1195392219 /nfs/dbraw/zinc/39/22/19/1195392219.db2.gz MZPFZINKJPVFKG-OAHLLOKOSA-N 0 3 386.456 0.700 20 0 GCADHN CCOC(=O)c1cc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cn1C ZINC000546170808 1195393337 /nfs/dbraw/zinc/39/33/37/1195393337.db2.gz QJVAGRBIVRSRAR-AWEZNQCLSA-N 0 3 387.502 0.573 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)C1 ZINC000519369242 1195396281 /nfs/dbraw/zinc/39/62/81/1195396281.db2.gz DVMZWZAMEGDGFS-MRXNPFEDSA-N 0 3 397.497 0.395 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cn1 ZINC000440268213 1195398591 /nfs/dbraw/zinc/39/85/91/1195398591.db2.gz RFBMLVZBGZICKA-UHFFFAOYSA-N 0 3 393.488 0.141 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@H](C)O1 ZINC000550034928 1195416438 /nfs/dbraw/zinc/41/64/38/1195416438.db2.gz OHJHJQIQMBLEHC-SZMVWBNQSA-N 0 3 377.485 0.538 20 0 GCADHN Cc1nnc2n1C[C@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)CC2 ZINC000550035533 1195418874 /nfs/dbraw/zinc/41/88/74/1195418874.db2.gz SKAQGMBINXQIMY-ROUUACIJSA-N 0 3 398.511 0.554 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N[C@@H](CC2CC2)c2ccccc2)CC1=O ZINC000653398842 1195420351 /nfs/dbraw/zinc/42/03/51/1195420351.db2.gz SEEIPKKFHGJFGG-SFHVURJKSA-N 0 3 386.496 0.876 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)NCCOC2CCCCCC2)CC1=O ZINC000653399804 1195421226 /nfs/dbraw/zinc/42/12/26/1195421226.db2.gz LPKFVXRXOQLGIY-UHFFFAOYSA-N 0 3 382.505 0.074 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N[C@H]2CC(C)(C)c3ccccc32)CC1=O ZINC000653401296 1195422237 /nfs/dbraw/zinc/42/22/37/1195422237.db2.gz XLHUSNRUBAHLOQ-KRWDZBQOSA-N 0 3 386.496 0.758 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)c3cn4ccsc4n3)C2)OCC1=O ZINC001270624583 1195422777 /nfs/dbraw/zinc/42/27/77/1195422777.db2.gz ICKZPNCCQMOGSF-QGZVFWFLSA-N 0 3 377.470 0.401 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3cn4ccsc4n3)C[C@@]2(F)C1=O ZINC001270624943 1195423249 /nfs/dbraw/zinc/42/32/49/1195423249.db2.gz KLXYFGVKNYQQBM-HZPDHXFCSA-N 0 3 383.424 0.672 20 0 GCADHN Cn1nnnc1CCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000894435541 1195425104 /nfs/dbraw/zinc/42/51/04/1195425104.db2.gz CULRGUVFRYOLMV-KRWDZBQOSA-N 0 3 387.488 0.733 20 0 GCADHN Cn1nnnc1CCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000894435542 1195425204 /nfs/dbraw/zinc/42/52/04/1195425204.db2.gz CULRGUVFRYOLMV-QGZVFWFLSA-N 0 3 387.488 0.733 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1nnc2n1CCCCC2)N1CCC[C@@H](C)C1 ZINC000550068229 1195426938 /nfs/dbraw/zinc/42/69/38/1195426938.db2.gz HIHDHWOYLDSASZ-CABCVRRESA-N 0 3 376.505 0.857 20 0 GCADHN CN1CCN(CCNC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1(C)C ZINC000664814514 1195427638 /nfs/dbraw/zinc/42/76/38/1195427638.db2.gz GGUKXCSCJOABAX-QZTJIDSGSA-N 0 3 393.576 0.955 20 0 GCADHN CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000469492797 1195429267 /nfs/dbraw/zinc/42/92/67/1195429267.db2.gz XSDWSSZKEAUUME-KKUMJFAQSA-N 0 3 384.546 0.459 20 0 GCADHN Cn1ccnc1[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)C(C)(C)CO ZINC000664815957 1195430220 /nfs/dbraw/zinc/43/02/20/1195430220.db2.gz YFZYALFLJBZPDC-OAHLLOKOSA-N 0 3 380.537 0.805 20 0 GCADHN CCC(CO)(CO)Nc1nccc(CN2CC[C@H](CO)C2)c1C(OC)OC ZINC001167969608 1195430674 /nfs/dbraw/zinc/43/06/74/1195430674.db2.gz HMOOHIQVDDZTNN-AWEZNQCLSA-N 0 3 383.489 0.733 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)c1ncnc2c1nnn2Cc1ccccc1 ZINC000894546557 1195443681 /nfs/dbraw/zinc/44/36/81/1195443681.db2.gz GJSKTPFJTKMSGH-UHFFFAOYSA-N 0 3 382.472 0.726 20 0 GCADHN Cc1ccc(NC(=O)CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1S(N)(=O)=O ZINC000550140582 1195447115 /nfs/dbraw/zinc/44/71/15/1195447115.db2.gz HWHUJQKZVBYZGQ-QZTJIDSGSA-N 0 3 397.497 0.491 20 0 GCADHN O=C(CN[C@H](C1CC1)[C@]1(CO)CCCO1)Nc1cc(-n2cnnn2)ccc1F ZINC000550141144 1195447666 /nfs/dbraw/zinc/44/76/66/1195447666.db2.gz PVKCSYTWWUVELB-QZTJIDSGSA-N 0 3 390.419 0.650 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 ZINC000473711969 1195447975 /nfs/dbraw/zinc/44/79/75/1195447975.db2.gz BXLCVOWKFXIRHN-UHFFFAOYSA-N 0 3 398.529 0.951 20 0 GCADHN Cc1c(C(=O)NCCN2CCNC2=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000894579466 1195448230 /nfs/dbraw/zinc/44/82/30/1195448230.db2.gz LPVWYEPYTSJJDX-UHFFFAOYSA-N 0 3 383.456 0.319 20 0 GCADHN COC(=O)[C@@H]1[C@H](CN[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1(F)F ZINC000894603651 1195449711 /nfs/dbraw/zinc/44/97/11/1195449711.db2.gz WRRKWBLYOPZPMF-CQDKDKBSSA-N 0 3 399.442 0.851 20 0 GCADHN COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000894601190 1195450061 /nfs/dbraw/zinc/45/00/61/1195450061.db2.gz INTQOFOKCIHWKR-CQSZACIVSA-N 0 3 392.504 0.830 20 0 GCADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)N3C)n2C ZINC000550190493 1195456496 /nfs/dbraw/zinc/45/64/96/1195456496.db2.gz USWUUGJPRFLSMF-KGLIPLIRSA-N 0 3 385.468 0.893 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H](C)O1 ZINC000550208558 1195460855 /nfs/dbraw/zinc/46/08/55/1195460855.db2.gz FNHHTCOIUXDUQK-BBWFWOEESA-N 0 3 380.533 0.687 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000102047702 1195468219 /nfs/dbraw/zinc/46/82/19/1195468219.db2.gz DEDAVBPLGPUXTJ-ZIAGYGMSSA-N 0 3 393.454 0.865 20 0 GCADHN C[C@@H](CNCC(=O)N(C)Cc1cnn(C)c1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001482312424 1195469227 /nfs/dbraw/zinc/46/92/27/1195469227.db2.gz FGYHNCYWMHJFFW-QZFZTSDASA-N 0 3 389.500 0.238 20 0 GCADHN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000653414450 1195472393 /nfs/dbraw/zinc/47/23/93/1195472393.db2.gz TVQNRENAGWKLQY-DNVCBOLYSA-N 0 3 386.496 0.659 20 0 GCADHN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894809849 1195474533 /nfs/dbraw/zinc/47/45/33/1195474533.db2.gz BLXBOEDFTAIYRX-ZNMIVQPWSA-N 0 3 394.438 0.490 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)N1CCOCC1 ZINC000550275737 1195474938 /nfs/dbraw/zinc/47/49/38/1195474938.db2.gz DGIVUPUYSVDCOI-IAGOWNOFSA-N 0 3 382.549 0.696 20 0 GCADHN COC[C@@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)n1 ZINC000426711669 1195479068 /nfs/dbraw/zinc/47/90/68/1195479068.db2.gz QKPCGHMMXMLSKD-CABCVRRESA-N 0 3 381.477 0.598 20 0 GCADHN C[C@@H]1CCC[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000519586994 1195488321 /nfs/dbraw/zinc/48/83/21/1195488321.db2.gz NEIKIRUNFWSIGB-SJORKVTESA-N 0 3 378.517 0.790 20 0 GCADHN COc1ccc(CCNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1S(N)(=O)=O ZINC000507409592 1195517657 /nfs/dbraw/zinc/51/76/57/1195517657.db2.gz ROAPUXPSMFWIAZ-CABCVRRESA-N 0 3 396.513 0.621 20 0 GCADHN CN(C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1COC[C@H]1O ZINC000507627693 1195540928 /nfs/dbraw/zinc/54/09/28/1195540928.db2.gz CSPMKDUNXVZDJZ-IAGOWNOFSA-N 0 3 393.509 0.435 20 0 GCADHN COC[C@H](CNC(=O)[C@H]1CCCN1C1CC1)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000427496242 1195545938 /nfs/dbraw/zinc/54/59/38/1195545938.db2.gz VELUTEDSDBBYIP-QGTPRVQTSA-N 0 3 378.517 0.487 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000507704691 1195548742 /nfs/dbraw/zinc/54/87/42/1195548742.db2.gz SINDPKKMWBOWBU-UHFFFAOYSA-N 0 3 381.521 0.631 20 0 GCADHN Cc1nnc(CN[C@H](C)C2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)[nH]1 ZINC001029122839 1195551321 /nfs/dbraw/zinc/55/13/21/1195551321.db2.gz KEOLPAFPWGHHKH-BLBBIFAFSA-N 0 3 377.489 0.881 20 0 GCADHN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000519617874 1195558198 /nfs/dbraw/zinc/55/81/98/1195558198.db2.gz QFWLYXOKJGWTOF-CABCVRRESA-N 0 3 396.451 0.198 20 0 GCADHN COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000519621678 1195558957 /nfs/dbraw/zinc/55/89/57/1195558957.db2.gz RCAWSQGDOSSMAI-KBAYOESNSA-N 0 3 385.505 0.702 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC000519633578 1195559829 /nfs/dbraw/zinc/55/98/29/1195559829.db2.gz JILAOABPKFXBFZ-GVDBMIGSSA-N 0 3 396.532 0.367 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccc(C(=O)OC)c2)CC1=O ZINC000519665684 1195562983 /nfs/dbraw/zinc/56/29/83/1195562983.db2.gz VZVPFLAOWRJOCQ-MRXNPFEDSA-N 0 3 377.441 0.382 20 0 GCADHN COc1cccc([C@H](CNC(=O)C(=O)N(C)CCN2CCCC2)N(C)C)c1 ZINC000519706680 1195566351 /nfs/dbraw/zinc/56/63/51/1195566351.db2.gz RDIGBWGMWMDWCL-SFHVURJKSA-N 0 3 376.501 0.968 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4nc(C5CC5)oc4c3)CCN2C1=O ZINC000519770747 1195568755 /nfs/dbraw/zinc/56/87/55/1195568755.db2.gz JTEUMWNSMWAIFK-QWHCGFSZSA-N 0 3 383.408 0.414 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Cc3csc(NC(=O)c4ccco4)n3)CCN2C1=O ZINC000519835979 1195575009 /nfs/dbraw/zinc/57/50/09/1195575009.db2.gz ZKNRNNGYJOKVTJ-NWDGAFQWSA-N 0 3 389.437 0.301 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Cc3csc(NC(=O)c4ccco4)n3)CCN2C1=O ZINC000519835986 1195575319 /nfs/dbraw/zinc/57/53/19/1195575319.db2.gz ZKNRNNGYJOKVTJ-VXGBXAGGSA-N 0 3 389.437 0.301 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)[C@@]3(F)CCCCC3(F)F)C2)OCC1=O ZINC001270816033 1195578848 /nfs/dbraw/zinc/57/88/48/1195578848.db2.gz AOHIRVZDZBDLCH-INIZCTEOSA-N 0 3 377.407 0.905 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000519861169 1195578945 /nfs/dbraw/zinc/57/89/45/1195578945.db2.gz KULPJLNLCZIHLM-MRXNPFEDSA-N 0 3 398.529 0.905 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CN1C1CC1 ZINC000440908138 1195589719 /nfs/dbraw/zinc/58/97/19/1195589719.db2.gz BZIYABLANDIMCH-IIYDPXPESA-N 0 3 398.463 0.658 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000440975605 1195593546 /nfs/dbraw/zinc/59/35/46/1195593546.db2.gz AHWVHKNFZYCQEE-ZDUSSCGKSA-N 0 3 395.485 0.069 20 0 GCADHN COC(=O)CCN1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC000440993255 1195594376 /nfs/dbraw/zinc/59/43/76/1195594376.db2.gz QJGQMYPSMLISGV-INIZCTEOSA-N 0 3 383.537 0.291 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)c1 ZINC000441155470 1195606273 /nfs/dbraw/zinc/60/62/73/1195606273.db2.gz LOWKVFTUQBDQRU-YJBOKZPZSA-N 0 3 392.500 0.967 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC[S@](=O)C3)c2)CC1 ZINC000441193081 1195608877 /nfs/dbraw/zinc/60/88/77/1195608877.db2.gz FXDIZURCFGKZKS-OQRWROFFSA-N 0 3 392.525 0.793 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)[C@H]2C1 ZINC000520271623 1195613100 /nfs/dbraw/zinc/61/31/00/1195613100.db2.gz QCEHKSXOONSXSD-NOVWEMISSA-N 0 3 375.473 0.261 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000520273074 1195613151 /nfs/dbraw/zinc/61/31/51/1195613151.db2.gz ZZPDGMLMDMHABZ-UHFFFAOYSA-N 0 3 382.530 0.477 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N[C@H]1CC[S@](=O)C1 ZINC000441225878 1195614484 /nfs/dbraw/zinc/61/44/84/1195614484.db2.gz FHSJTMKJOWWWEU-QMTYFTJSSA-N 0 3 395.550 0.854 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000441284489 1195618685 /nfs/dbraw/zinc/61/86/85/1195618685.db2.gz KFBZFUUJYDOBLO-ULQDDVLXSA-N 0 3 395.548 0.480 20 0 GCADHN O=C(CN1CCC(=O)NC1=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000520305680 1195618859 /nfs/dbraw/zinc/61/88/59/1195618859.db2.gz ZIPDTVKSHAANGC-UHFFFAOYSA-N 0 3 387.484 0.252 20 0 GCADHN COCC[C@@]1(NCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CCOC1 ZINC000520332210 1195621530 /nfs/dbraw/zinc/62/15/30/1195621530.db2.gz IACHVNAPGLKZNL-YLJYHZDGSA-N 0 3 376.453 0.898 20 0 GCADHN Cn1cc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)c(=O)[nH]c1=O ZINC000520358819 1195626298 /nfs/dbraw/zinc/62/62/98/1195626298.db2.gz WZPXQGCJOILQFY-UHFFFAOYSA-N 0 3 399.451 0.242 20 0 GCADHN C[C@H](C(=O)N(C)CCCN1CCN(C)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000520359062 1195626604 /nfs/dbraw/zinc/62/66/04/1195626604.db2.gz CCDFREPBMGJGLJ-IKGGRYGDSA-N 0 3 378.517 0.646 20 0 GCADHN CS(=O)(=O)NCCC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000520362845 1195626945 /nfs/dbraw/zinc/62/69/45/1195626945.db2.gz AZVVSICTHUXQOD-UHFFFAOYSA-N 0 3 382.530 0.644 20 0 GCADHN CO[C@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C)C1 ZINC000441380355 1195629744 /nfs/dbraw/zinc/62/97/44/1195629744.db2.gz QPUSFWSBGQVIBV-GJZGRUSLSA-N 0 3 387.488 0.511 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(F)cc(C(=O)OC)c2F)CC1 ZINC000280799397 1195635966 /nfs/dbraw/zinc/63/59/66/1195635966.db2.gz RXRYXLOZWOSZFT-UHFFFAOYSA-N 0 3 398.410 0.444 20 0 GCADHN CSC1(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC[NH+](C)CC1 ZINC000894950797 1195638638 /nfs/dbraw/zinc/63/86/38/1195638638.db2.gz DFUUPGHZTMNKBL-ZDUSSCGKSA-N 0 3 380.518 0.888 20 0 GCADHN CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)N1CCOCC1 ZINC000550345954 1195639647 /nfs/dbraw/zinc/63/96/47/1195639647.db2.gz NIDKMXJPNMZKKY-IPELMVKDSA-N 0 3 394.560 0.839 20 0 GCADHN COc1ccccc1C(=O)NCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000473926176 1195640169 /nfs/dbraw/zinc/64/01/69/1195640169.db2.gz BTRJDBFXPQHTCE-UHFFFAOYSA-N 0 3 388.468 0.192 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1)N1CCC[C@@H](C)C1 ZINC000550358471 1195643722 /nfs/dbraw/zinc/64/37/22/1195643722.db2.gz UBHCRRBYWLRCJH-CABCVRRESA-N 0 3 378.517 0.740 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)N1CCCCC1 ZINC000550364374 1195645007 /nfs/dbraw/zinc/64/50/07/1195645007.db2.gz BAYRTTFXODXSFO-UHFFFAOYSA-N 0 3 376.505 0.435 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000112922206 1195645778 /nfs/dbraw/zinc/64/57/78/1195645778.db2.gz KXZIKNCPAMHDDU-HNNXBMFYSA-N 0 3 382.530 0.598 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1F ZINC000550372583 1195646176 /nfs/dbraw/zinc/64/61/76/1195646176.db2.gz KPIFRJVQUXXBHY-CQSZACIVSA-N 0 3 390.459 0.747 20 0 GCADHN CCN(CCCN1CCCC1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000473943742 1195647561 /nfs/dbraw/zinc/64/75/61/1195647561.db2.gz HTMMWOTWPOJPGX-UHFFFAOYSA-N 0 3 395.485 0.531 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)CC1 ZINC000520430110 1195647883 /nfs/dbraw/zinc/64/78/83/1195647883.db2.gz AUHNLZPASWRHBF-UHFFFAOYSA-N 0 3 387.444 0.136 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000550386134 1195653448 /nfs/dbraw/zinc/65/34/48/1195653448.db2.gz BUHHMMAQZSBNKT-HUUCEWRRSA-N 0 3 392.891 0.957 20 0 GCADHN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN(CCO)C3CCOCC3)CC2)C1 ZINC000328624039 1195656644 /nfs/dbraw/zinc/65/66/44/1195656644.db2.gz ZGTXYEWHIVUUSM-KRWDZBQOSA-N 0 3 395.544 0.957 20 0 GCADHN COC(=O)c1ncoc1COCC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001648957858 1195667827 /nfs/dbraw/zinc/66/78/27/1195667827.db2.gz ZCVRDWLBDYVCEL-UHFFFAOYSA-N 0 3 380.445 0.216 20 0 GCADHN CN(C(=O)c1ccc2cncn2c1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000328800338 1195669056 /nfs/dbraw/zinc/66/90/56/1195669056.db2.gz IFNDQONRQITEAN-UHFFFAOYSA-N 0 3 398.511 0.645 20 0 GCADHN C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000983804105 1195674510 /nfs/dbraw/zinc/67/45/10/1195674510.db2.gz HLTZESKLBICHGF-ZJPYXAASSA-N 0 3 380.533 0.545 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@H](O)CN1CCC[C@@H]1CN1CCOCC1 ZINC000441429714 1195675771 /nfs/dbraw/zinc/67/57/71/1195675771.db2.gz OQZJFNBWDPXFHY-QZTJIDSGSA-N 0 3 388.468 0.661 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C[C@H]1N(C)C ZINC000328991086 1195684620 /nfs/dbraw/zinc/68/46/20/1195684620.db2.gz DDKIOPVBBQMMKX-BRWVUGGUSA-N 0 3 377.510 0.918 20 0 GCADHN CN1CCC(NC(=O)c2cn3c(n2)CN(C(=O)/C=C/Br)CC3)CC1 ZINC001270858579 1195703498 /nfs/dbraw/zinc/70/34/98/1195703498.db2.gz GRBFBLCUWKDSET-GORDUTHDSA-N 0 3 396.289 0.958 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](CN(C)C)C2)cc1C ZINC000330841030 1195710894 /nfs/dbraw/zinc/71/08/94/1195710894.db2.gz XVAAKVAMLOLWJC-MRXNPFEDSA-N 0 3 383.514 0.761 20 0 GCADHN CCN(C(=O)NCCNS(=O)(=O)N(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000665010991 1195711624 /nfs/dbraw/zinc/71/16/24/1195711624.db2.gz IGHSUZZSXDEKKL-KRWDZBQOSA-N 0 3 397.545 0.688 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000330988011 1195716243 /nfs/dbraw/zinc/71/62/43/1195716243.db2.gz GOARTDDUQPVIGD-KRWDZBQOSA-N 0 3 381.498 0.760 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000550405771 1195729787 /nfs/dbraw/zinc/72/97/87/1195729787.db2.gz JSBWPDMAVXJHRN-OAHLLOKOSA-N 0 3 379.482 0.403 20 0 GCADHN CS[C@@H]1CN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C[C@@H]1N(C)C ZINC000536339387 1195740334 /nfs/dbraw/zinc/74/03/34/1195740334.db2.gz XLZYXYVVYXXIPP-UONOGXRCSA-N 0 3 390.517 0.240 20 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1195999241 /nfs/dbraw/zinc/99/92/41/1195999241.db2.gz OXOIQFHFQOAPJG-DOTOQJQBSA-N 0 3 388.468 0.835 20 0 GCADHN Cn1cccc1CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000442666216 1195999251 /nfs/dbraw/zinc/99/92/51/1195999251.db2.gz PUAYVXKPRLFESD-UHFFFAOYSA-N 0 3 397.479 0.977 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCc3ccn(C)n3)CC2)C[C@@H](C)O1 ZINC000521506381 1195999336 /nfs/dbraw/zinc/99/93/36/1195999336.db2.gz UGRGZRICTSGYGR-HZPDHXFCSA-N 0 3 391.516 0.427 20 0 GCADHN CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](NCCC(=O)N2CCOCC2)C1=O ZINC000442779602 1196003029 /nfs/dbraw/zinc/00/30/29/1196003029.db2.gz DFNWMCRIWYEHDX-RDJZCZTQSA-N 0 3 397.516 0.792 20 0 GCADHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000521585900 1196004142 /nfs/dbraw/zinc/00/41/42/1196004142.db2.gz FDJAGRWVOLVZHK-PNBKFKSVSA-N 0 3 385.530 0.797 20 0 GCADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000521626782 1196008637 /nfs/dbraw/zinc/00/86/37/1196008637.db2.gz 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C[C@H]1NC(=O)CC[C@@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000443253924 1196031691 /nfs/dbraw/zinc/03/16/91/1196031691.db2.gz HGWZEDNTZJYLLB-DOMZBBRYSA-N 0 3 389.456 0.276 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NCC3([S@](C)=O)CC3)cn2)CC1 ZINC000443275841 1196034601 /nfs/dbraw/zinc/03/46/01/1196034601.db2.gz YGSWGPBVKNOHOS-MHZLTWQESA-N 0 3 394.497 0.520 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NCC3([S@@](C)=O)CC3)cn2)CC1 ZINC000443275840 1196034792 /nfs/dbraw/zinc/03/47/92/1196034792.db2.gz YGSWGPBVKNOHOS-HHHXNRCGSA-N 0 3 394.497 0.520 20 0 GCADHN Cc1sc2ncn(CCC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c(=O)c2c1C ZINC000522015095 1196036211 /nfs/dbraw/zinc/03/62/11/1196036211.db2.gz SAXHTPPPJPHEBH-CHWSQXEVSA-N 0 3 389.481 0.235 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCC2CCN(CCO)CC2)ccc1OC ZINC000443301381 1196038367 /nfs/dbraw/zinc/03/83/67/1196038367.db2.gz MSLPWYCREAWUCJ-UHFFFAOYSA-N 0 3 386.470 0.464 20 0 GCADHN C[C@H]1CN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@@H](C(N)=O)O1 ZINC000624357648 1196040382 /nfs/dbraw/zinc/04/03/82/1196040382.db2.gz ZWRYSCRTCKRWGG-YOEHRIQHSA-N 0 3 375.473 0.578 20 0 GCADHN CCN(CC)S(=O)(=O)CCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000474044658 1196047549 /nfs/dbraw/zinc/04/75/49/1196047549.db2.gz OESZMJQWDHYVQK-UHFFFAOYSA-N 0 3 391.582 0.373 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000550469658 1196049149 /nfs/dbraw/zinc/04/91/49/1196049149.db2.gz PRAIAQDBDSLUHE-CQSZACIVSA-N 0 3 376.505 0.857 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)CCN1CCN1C(=O)CNC1=O ZINC001087577885 1196049177 /nfs/dbraw/zinc/04/91/77/1196049177.db2.gz ONLYGAIYZJTHPS-VVLHAWIVSA-N 0 3 385.468 0.706 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)CC1 ZINC000522187122 1196057369 /nfs/dbraw/zinc/05/73/69/1196057369.db2.gz IABDDBCLGMVYFE-AWEZNQCLSA-N 0 3 387.484 0.466 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCN1Cc1ccn(C)c(=O)c1 ZINC001087669772 1196057944 /nfs/dbraw/zinc/05/79/44/1196057944.db2.gz PNHHIKWUDWYCHS-KVIJGQROSA-N 0 3 389.496 0.906 20 0 GCADHN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)COC3CNC3)CC2)cc1 ZINC000429676855 1196060477 /nfs/dbraw/zinc/06/04/77/1196060477.db2.gz LWIXKUHEDWDJOS-UHFFFAOYSA-N 0 3 395.525 0.805 20 0 GCADHN O=C(NCc1nnnn1CC1CC1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000474090514 1196069333 /nfs/dbraw/zinc/06/93/33/1196069333.db2.gz SVCXEBCCRXWBQY-LJQANCHMSA-N 0 3 385.472 0.519 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000840003816 1196071697 /nfs/dbraw/zinc/07/16/97/1196071697.db2.gz PHTYJDFGGPOBBM-AZUAARDMSA-N 0 3 376.501 0.354 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1cn2ccsc2n1 ZINC000550519541 1196072882 /nfs/dbraw/zinc/07/28/82/1196072882.db2.gz HJRIGMUJBKZUNZ-AWEZNQCLSA-N 0 3 379.486 0.581 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1cn2ccsc2n1 ZINC000550519542 1196072923 /nfs/dbraw/zinc/07/29/23/1196072923.db2.gz HJRIGMUJBKZUNZ-CQSZACIVSA-N 0 3 379.486 0.581 20 0 GCADHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000522290172 1196072992 /nfs/dbraw/zinc/07/29/92/1196072992.db2.gz NUTZTRRYJWBTIW-AWEZNQCLSA-N 0 3 379.486 0.334 20 0 GCADHN CCOc1ncccc1CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000550540990 1196081199 /nfs/dbraw/zinc/08/11/99/1196081199.db2.gz OPWDLHZYOCZIDE-MRXNPFEDSA-N 0 3 378.473 0.666 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000550556129 1196085123 /nfs/dbraw/zinc/08/51/23/1196085123.db2.gz ZFIKBDTVPSKIOV-UHFFFAOYSA-N 0 3 375.473 0.089 20 0 GCADHN C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccccc1)CN1CCN(C)CC1 ZINC000114140934 1196095367 /nfs/dbraw/zinc/09/53/67/1196095367.db2.gz ZMVKATLYHCEEFV-MRXNPFEDSA-N 0 3 382.530 0.307 20 0 GCADHN OCCN1CCN(CCCCNc2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000114450852 1196099240 /nfs/dbraw/zinc/09/92/40/1196099240.db2.gz HSUSYNJWZSNONT-KRWDZBQOSA-N 0 3 378.521 0.240 20 0 GCADHN CC[C@H](O)[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000114460200 1196099743 /nfs/dbraw/zinc/09/97/43/1196099743.db2.gz ILXCKTNWYWKPIO-IRXDYDNUSA-N 0 3 382.549 0.671 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000443723575 1196105222 /nfs/dbraw/zinc/10/52/22/1196105222.db2.gz XWUKXSPMOXMAAX-UHFFFAOYSA-N 0 3 396.513 0.393 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000114593014 1196106245 /nfs/dbraw/zinc/10/62/45/1196106245.db2.gz CQGBRWAZOQIOKQ-HNNXBMFYSA-N 0 3 395.470 0.312 20 0 GCADHN CN(C)c1ncccc1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000114587279 1196106250 /nfs/dbraw/zinc/10/62/50/1196106250.db2.gz NDRXCJFWBVEJRS-UHFFFAOYSA-N 0 3 378.521 0.337 20 0 GCADHN CC(=O)N1CCC[C@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000474296493 1196107367 /nfs/dbraw/zinc/10/73/67/1196107367.db2.gz HIQMMDVCPXUTQN-SJORKVTESA-N 0 3 381.521 0.487 20 0 GCADHN CN(C)S(=O)(=O)N[C@@H](CNC(=O)N(C)[C@@H]1CCCN(C)C1)C1CCCC1 ZINC000895692662 1196107685 /nfs/dbraw/zinc/10/76/85/1196107685.db2.gz OHTNESIOZAIBHH-CVEARBPZSA-N 0 3 389.566 0.677 20 0 GCADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)N(C)[C@H]1CCCN(C)C1)C1CCCC1 ZINC000895692669 1196107908 /nfs/dbraw/zinc/10/79/08/1196107908.db2.gz OHTNESIOZAIBHH-JKSUJKDBSA-N 0 3 389.566 0.677 20 0 GCADHN Cn1cc([C@@]2(CNC(=O)NC3CCN([C@H]4CCOC4)CC3)CCCO2)cn1 ZINC000895850909 1196115186 /nfs/dbraw/zinc/11/51/86/1196115186.db2.gz LUMOYRASCFJRID-HKUYNNGSSA-N 0 3 377.489 0.978 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000053091825 1196116158 /nfs/dbraw/zinc/11/61/58/1196116158.db2.gz YGJBSSCZOMLYBP-SJORKVTESA-N 0 3 388.578 0.580 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H](CO)c1cccc(F)c1 ZINC000522443076 1196121471 /nfs/dbraw/zinc/12/14/71/1196121471.db2.gz POVGLPNEQAIHAK-SFHVURJKSA-N 0 3 382.480 0.548 20 0 GCADHN CC(C)(C)N1CCC[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000896010434 1196122086 /nfs/dbraw/zinc/12/20/86/1196122086.db2.gz PYTBYDCBSPPGLV-CVEARBPZSA-N 0 3 378.517 0.964 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000522445076 1196123075 /nfs/dbraw/zinc/12/30/75/1196123075.db2.gz SMBLRVRGNCPQKX-LSDHHAIUSA-N 0 3 382.509 0.019 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000522445075 1196123156 /nfs/dbraw/zinc/12/31/56/1196123156.db2.gz SMBLRVRGNCPQKX-HUUCEWRRSA-N 0 3 382.509 0.019 20 0 GCADHN O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000896158204 1196129092 /nfs/dbraw/zinc/12/90/92/1196129092.db2.gz VIJZFVCZSQWZRS-SJORKVTESA-N 0 3 395.500 0.454 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1COCCN1CC(F)F ZINC000474723172 1196145873 /nfs/dbraw/zinc/14/58/73/1196145873.db2.gz OEUQWYMCDIMFCO-UONOGXRCSA-N 0 3 376.448 0.011 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000474720446 1196145906 /nfs/dbraw/zinc/14/59/06/1196145906.db2.gz BVUIZLUIGOOGLD-ROUUACIJSA-N 0 3 380.533 0.546 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1COCCN1CC1CCC1 ZINC000474720447 1196146103 /nfs/dbraw/zinc/14/61/03/1196146103.db2.gz BVUIZLUIGOOGLD-ZWKOTPCHSA-N 0 3 380.533 0.546 20 0 GCADHN Cn1cc(-c2ncc(CNCCN3CCN(C(=O)C4CCC4)CC3)cn2)cn1 ZINC000474732690 1196146541 /nfs/dbraw/zinc/14/65/41/1196146541.db2.gz WAPDRRQKWWMCBT-UHFFFAOYSA-N 0 3 383.500 0.911 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)no2)CC1 ZINC000896403686 1196147109 /nfs/dbraw/zinc/14/71/09/1196147109.db2.gz MBWILHBYQITOSP-JTQLQIEISA-N 0 3 390.366 0.536 20 0 GCADHN Cn1cc(CN2CCC3(CC2)CNC(=O)c2ccccc2O3)c(=O)n(C)c1=O ZINC000896442273 1196148352 /nfs/dbraw/zinc/14/83/52/1196148352.db2.gz RIJYLSFKUWFFIF-UHFFFAOYSA-N 0 3 384.436 0.241 20 0 GCADHN CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000474784883 1196149761 /nfs/dbraw/zinc/14/97/61/1196149761.db2.gz OQPZMXPGAIROCC-HNNXBMFYSA-N 0 3 382.530 0.741 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC000474797586 1196150033 /nfs/dbraw/zinc/15/00/33/1196150033.db2.gz FWZIOMQNOCIGPV-MUQADHOPSA-N 0 3 397.589 0.854 20 0 GCADHN CC(=O)N1CCC[C@](O)(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000329142728 1196167626 /nfs/dbraw/zinc/16/76/26/1196167626.db2.gz VEJMDASIWAAMPH-TWOQFEAHSA-N 0 3 381.517 0.708 20 0 GCADHN C[C@H](NC(=O)CNC(=O)c1cnc2ccccc2c1O)[C@H]1CN(C)CCN1C ZINC000896573025 1196168046 /nfs/dbraw/zinc/16/80/46/1196168046.db2.gz WLQXYLZNCBUGMU-SUMWQHHRSA-N 0 3 385.468 0.008 20 0 GCADHN C[C@@]1(n2cc(CN3CCN(C[C@@H]4CCOC4)CC3)cn2)CCS(=O)(=O)C1 ZINC000329183176 1196172832 /nfs/dbraw/zinc/17/28/32/1196172832.db2.gz OTRHLCUVQCBAPQ-FUHWJXTLSA-N 0 3 382.530 0.571 20 0 GCADHN CC[N@@H+]1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CC1 ZINC000329243034 1196179291 /nfs/dbraw/zinc/17/92/91/1196179291.db2.gz SPNHHINKZFHTFI-UHFFFAOYSA-N 0 3 377.489 0.814 20 0 GCADHN CC[N@H+]1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CC1 ZINC000329243034 1196179295 /nfs/dbraw/zinc/17/92/95/1196179295.db2.gz SPNHHINKZFHTFI-UHFFFAOYSA-N 0 3 377.489 0.814 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000329249470 1196179751 /nfs/dbraw/zinc/17/97/51/1196179751.db2.gz ASMMBGJXBUDHTA-QZTJIDSGSA-N 0 3 378.517 0.395 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000329314614 1196184616 /nfs/dbraw/zinc/18/46/16/1196184616.db2.gz HBKUSFIELXNLIE-TWMKSMIVSA-N 0 3 387.546 0.901 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000474896040 1196189750 /nfs/dbraw/zinc/18/97/50/1196189750.db2.gz OQIXDHBOFYJTCY-UHFFFAOYSA-N 0 3 387.546 0.584 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 ZINC000329379112 1196190262 /nfs/dbraw/zinc/19/02/62/1196190262.db2.gz MUNHEUMIJGJPCL-ZIAGYGMSSA-N 0 3 392.422 0.015 20 0 GCADHN Cn1cc([C@@]2(CNC(=O)NC[C@@H]3CCN3C3CCOCC3)CCCO2)cn1 ZINC000896749290 1196203335 /nfs/dbraw/zinc/20/33/35/1196203335.db2.gz POBDZIDHUOATQA-HKUYNNGSSA-N 0 3 377.489 0.978 20 0 GCADHN CCN1C[C@@H](C)N(CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000329581856 1196206760 /nfs/dbraw/zinc/20/67/60/1196206760.db2.gz LIMSCOKIUSHBQW-OWCLPIDISA-N 0 3 397.545 0.904 20 0 GCADHN COc1c2cnn(C)c2ncc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000329588355 1196207439 /nfs/dbraw/zinc/20/74/39/1196207439.db2.gz XPQRXMKCKYENKH-OAHLLOKOSA-N 0 3 386.456 0.356 20 0 GCADHN Cc1nnc(CN(C)CC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)n1C ZINC000329597444 1196207733 /nfs/dbraw/zinc/20/77/33/1196207733.db2.gz WDHOKICLRYUCNB-HOTGVXAUSA-N 0 3 392.548 0.903 20 0 GCADHN CCn1nnc(C)c1CN1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011935 1196217186 /nfs/dbraw/zinc/21/71/86/1196217186.db2.gz KOLACIRHPXECCX-VYCZESIESA-N 0 3 390.532 0.606 20 0 GCADHN COc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@@H]3C2)nn1 ZINC001088011942 1196217203 /nfs/dbraw/zinc/21/72/03/1196217203.db2.gz LAQGIBCPJVFZRY-XLMAVXFVSA-N 0 3 389.500 0.485 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([C@H]2CCOC2)n1 ZINC000329865023 1196234981 /nfs/dbraw/zinc/23/49/81/1196234981.db2.gz TWGZAKWRRBADCJ-HOCLYGCPSA-N 0 3 375.473 0.303 20 0 GCADHN CC(C)(C)C(=O)Cn1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1 ZINC000329877978 1196235720 /nfs/dbraw/zinc/23/57/20/1196235720.db2.gz KAUMOGFETSKNSG-UHFFFAOYSA-N 0 3 390.488 0.274 20 0 GCADHN CC1CCN(CC(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000329944018 1196241373 /nfs/dbraw/zinc/24/13/73/1196241373.db2.gz DXKKORCYBXFGCU-UHFFFAOYSA-N 0 3 393.576 0.415 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(C2CCOCC2)C[C@H]1C)N1CCCS1(=O)=O ZINC000329955310 1196242221 /nfs/dbraw/zinc/24/22/21/1196242221.db2.gz OHRBCYJWBUVFHY-WBVHZDCISA-N 0 3 387.546 0.758 20 0 GCADHN CC(C)N1CCCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000330029421 1196247436 /nfs/dbraw/zinc/24/74/36/1196247436.db2.gz PYRJSXBVDGHSEW-GOSISDBHSA-N 0 3 380.489 0.749 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)CC1 ZINC000330100677 1196253025 /nfs/dbraw/zinc/25/30/25/1196253025.db2.gz DQIWCWBKNBZERA-HZPDHXFCSA-N 0 3 394.541 0.453 20 0 GCADHN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330133128 1196255525 /nfs/dbraw/zinc/25/55/25/1196255525.db2.gz QXPHSYZPDITMEC-GDBMZVCRSA-N 0 3 379.505 0.387 20 0 GCADHN O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC000330156550 1196256515 /nfs/dbraw/zinc/25/65/15/1196256515.db2.gz OTTYXGDWFVRVOV-GOSISDBHSA-N 0 3 392.544 0.644 20 0 GCADHN CCn1cc(-c2n[nH]cc2C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000330207623 1196259255 /nfs/dbraw/zinc/25/92/55/1196259255.db2.gz AJHCOYJPFHVDNX-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000330216565 1196259762 /nfs/dbraw/zinc/25/97/62/1196259762.db2.gz NGGZMISKBKSGDG-HNNXBMFYSA-N 0 3 382.486 0.751 20 0 GCADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000330218643 1196260211 /nfs/dbraw/zinc/26/02/11/1196260211.db2.gz JNPOSNPYRNHIOS-QGZVFWFLSA-N 0 3 392.525 0.870 20 0 GCADHN CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C[C@@H]1CCOC1 ZINC000330254020 1196261476 /nfs/dbraw/zinc/26/14/76/1196261476.db2.gz JEXOXPWIKDMMKT-HNNXBMFYSA-N 0 3 399.488 0.627 20 0 GCADHN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000281077836 1196275722 /nfs/dbraw/zinc/27/57/22/1196275722.db2.gz RHROEMZNBZKQBR-OAHLLOKOSA-N 0 3 390.488 0.247 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c(C)c1 ZINC000281080388 1196276268 /nfs/dbraw/zinc/27/62/68/1196276268.db2.gz ROUUYDWCCGGGIT-UHFFFAOYSA-N 0 3 376.457 0.611 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c(C)c1 ZINC000281107104 1196277808 /nfs/dbraw/zinc/27/78/08/1196277808.db2.gz ULHORDWFDKCFAN-AWEZNQCLSA-N 0 3 388.468 0.825 20 0 GCADHN CNC(=O)[C@]1(C)CCN([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000281144594 1196278200 /nfs/dbraw/zinc/27/82/00/1196278200.db2.gz OYOGTBJJGDSDRD-SNUQEOBHSA-N 0 3 396.513 0.358 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1 ZINC000281180683 1196283804 /nfs/dbraw/zinc/28/38/04/1196283804.db2.gz QWMMNVWJSFAAOU-IBGZPJMESA-N 0 3 379.457 0.787 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(OCCN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281212945 1196284380 /nfs/dbraw/zinc/28/43/80/1196284380.db2.gz DHFIHXTTWPELGJ-CJNGLKHVSA-N 0 3 383.470 0.746 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c(OC)c1 ZINC000281345661 1196290478 /nfs/dbraw/zinc/29/04/78/1196290478.db2.gz MSTZDENQDXPZGO-KFWWJZLASA-N 0 3 394.424 0.652 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(NC(=O)OC)c2C)CC1 ZINC000281404311 1196293960 /nfs/dbraw/zinc/29/39/60/1196293960.db2.gz MQJCUBZBHMBKQP-UHFFFAOYSA-N 0 3 391.472 0.866 20 0 GCADHN C[C@@H](CNC(=O)/C=C/c1ccc(S(N)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000281520912 1196301520 /nfs/dbraw/zinc/30/15/20/1196301520.db2.gz JCELSPMCXAGWDK-PXTSUWAFSA-N 0 3 380.514 0.347 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1OCCO ZINC000281512936 1196302345 /nfs/dbraw/zinc/30/23/45/1196302345.db2.gz IRWACQDCBDCPOL-MRXNPFEDSA-N 0 3 391.468 0.445 20 0 GCADHN CCN(C(=O)[C@H](C)NC[C@H]1CCCN1c1cccnn1)[C@H]1CCS(=O)(=O)C1 ZINC000522691004 1196303045 /nfs/dbraw/zinc/30/30/45/1196303045.db2.gz FZIZFZPHYIWJAX-XHSDSOJGSA-N 0 3 395.529 0.459 20 0 GCADHN CC1=C(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@H](C)n2ncnc2N1C ZINC000281543431 1196303578 /nfs/dbraw/zinc/30/35/78/1196303578.db2.gz IUJLGYIOQSCGFG-LSDHHAIUSA-N 0 3 389.504 0.622 20 0 GCADHN CCc1ccc([C@@H](CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)N(C)C)cc1 ZINC000665536370 1196307288 /nfs/dbraw/zinc/30/72/88/1196307288.db2.gz PGVBRAJJUSAYQI-DLBZAZTESA-N 0 3 382.530 0.883 20 0 GCADHN COc1cc(NC(=O)C(=O)NCCN(C)C)ccc1NC(=O)c1cccnc1 ZINC000522772453 1196307599 /nfs/dbraw/zinc/30/75/99/1196307599.db2.gz FRGAGNZKYPNNGZ-UHFFFAOYSA-N 0 3 385.424 0.959 20 0 GCADHN CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN(C)CC)c1 ZINC000522773076 1196308356 /nfs/dbraw/zinc/30/83/56/1196308356.db2.gz NFLVEXFVOHNONS-UHFFFAOYSA-N 0 3 384.502 0.771 20 0 GCADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000281594139 1196311555 /nfs/dbraw/zinc/31/15/55/1196311555.db2.gz NZTPFVHTSSSEFL-KNQAVFIVSA-N 0 3 399.491 0.443 20 0 GCADHN C[C@H]1NC(C(=O)NCCN2CCN(C)C(C)(C)C2)=NN(c2ccccc2)C1=O ZINC000281671997 1196318922 /nfs/dbraw/zinc/31/89/22/1196318922.db2.gz DKEJTIVLAOMTHG-OAHLLOKOSA-N 0 3 386.500 0.467 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(OC)c(OCCO)c2)CC1 ZINC000281656435 1196319349 /nfs/dbraw/zinc/31/93/49/1196319349.db2.gz SDMAPTPYCXQASB-UHFFFAOYSA-N 0 3 393.484 0.693 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)c3cc4scnc4[nH]3)C2)OCC1=O ZINC001271336392 1196319793 /nfs/dbraw/zinc/31/97/93/1196319793.db2.gz FENOJQWMMKQFFA-KRWDZBQOSA-N 0 3 377.470 0.630 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1(C)C ZINC000281750869 1196330326 /nfs/dbraw/zinc/33/03/26/1196330326.db2.gz ADTQBWSQXWQCAE-UHFFFAOYSA-N 0 3 384.484 0.953 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C ZINC000281773328 1196332303 /nfs/dbraw/zinc/33/23/03/1196332303.db2.gz YHYUBAVVLJLSJP-MRXNPFEDSA-N 0 3 376.457 0.611 20 0 GCADHN COCCOc1ncccc1CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281812623 1196335877 /nfs/dbraw/zinc/33/58/77/1196335877.db2.gz LEUQEBNBIJQCJJ-UHFFFAOYSA-N 0 3 379.505 0.932 20 0 GCADHN Cc1ccc([C@H](CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)N(C)C)cc1 ZINC000281820966 1196338026 /nfs/dbraw/zinc/33/80/26/1196338026.db2.gz GRDWJRHAZHDHDG-KRWDZBQOSA-N 0 3 397.545 0.213 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(C(=O)NCCN2CCN(C)C(C)(C)C2)c1C ZINC000281866995 1196342792 /nfs/dbraw/zinc/34/27/92/1196342792.db2.gz VZJMIYJFPNFPGG-UHFFFAOYSA-N 0 3 382.530 0.707 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cn1 ZINC000281874200 1196343381 /nfs/dbraw/zinc/34/33/81/1196343381.db2.gz WPXYYHZKUWCHAT-UHFFFAOYSA-N 0 3 383.518 0.088 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3ncn4ccsc34)C[C@@]2(F)C1=O ZINC001271379266 1196343887 /nfs/dbraw/zinc/34/38/87/1196343887.db2.gz BIFCWWKJBRORKU-HZPDHXFCSA-N 0 3 383.424 0.672 20 0 GCADHN CN1CCN(CCNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1(C)C ZINC000281881729 1196344073 /nfs/dbraw/zinc/34/40/73/1196344073.db2.gz XJBXEHQFZMPXBT-KRWDZBQOSA-N 0 3 386.500 0.249 20 0 GCADHN NC(=O)CSCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000522821390 1196346094 /nfs/dbraw/zinc/34/60/94/1196346094.db2.gz VKQJPWGVVBQBAR-UHFFFAOYSA-N 0 3 378.498 0.347 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1(C)C ZINC000444126690 1196347629 /nfs/dbraw/zinc/34/76/29/1196347629.db2.gz JGMLIKONAYFRKN-JSNMRZPZSA-N 0 3 388.468 0.890 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1(C)C ZINC000444126693 1196347683 /nfs/dbraw/zinc/34/76/83/1196347683.db2.gz JGMLIKONAYFRKN-XMCHAPAWSA-N 0 3 388.468 0.890 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)CN1CCN(C)CC1 ZINC000522830627 1196348149 /nfs/dbraw/zinc/34/81/49/1196348149.db2.gz KEESKQKSCJBVKF-HNNXBMFYSA-N 0 3 385.472 0.206 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3nccnc3c2)CC1 ZINC000522829106 1196348600 /nfs/dbraw/zinc/34/86/00/1196348600.db2.gz OWYZLOSOSXKOQH-HNNXBMFYSA-N 0 3 384.484 0.958 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000281949766 1196351534 /nfs/dbraw/zinc/35/15/34/1196351534.db2.gz AIHJZXOGIGYPOR-HUUCEWRRSA-N 0 3 393.513 0.672 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000281949771 1196351646 /nfs/dbraw/zinc/35/16/46/1196351646.db2.gz AIHJZXOGIGYPOR-LSDHHAIUSA-N 0 3 393.513 0.672 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1(C)C ZINC000444158243 1196353652 /nfs/dbraw/zinc/35/36/52/1196353652.db2.gz SWKAKXGMELEXJT-BFUOFWGJSA-N 0 3 380.489 0.890 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000262403716 1196355949 /nfs/dbraw/zinc/35/59/49/1196355949.db2.gz PUELBLIJZDWPAJ-KRWDZBQOSA-N 0 3 392.467 0.739 20 0 GCADHN O=C(NC[C@H]1NCCc2ccccc21)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000262403720 1196356167 /nfs/dbraw/zinc/35/61/67/1196356167.db2.gz PUELBLIJZDWPAJ-QGZVFWFLSA-N 0 3 392.467 0.739 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1(C)C ZINC000444175075 1196356948 /nfs/dbraw/zinc/35/69/48/1196356948.db2.gz YXRRFDKATVDATP-UTKZUKDTSA-N 0 3 394.560 0.922 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1(C)C ZINC000444175073 1196357187 /nfs/dbraw/zinc/35/71/87/1196357187.db2.gz YXRRFDKATVDATP-DYESRHJHSA-N 0 3 394.560 0.922 20 0 GCADHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)CN2CSCC2=O)C1 ZINC000522873707 1196357661 /nfs/dbraw/zinc/35/76/61/1196357661.db2.gz IIOJROGFVIAJLN-CQSZACIVSA-N 0 3 376.482 0.855 20 0 GCADHN Cc1nn(C)cc1CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104315 1196359284 /nfs/dbraw/zinc/35/92/84/1196359284.db2.gz CWHJNTPVGCFTFT-BSWAZPDLSA-N 0 3 375.473 0.042 20 0 GCADHN O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(S(=O)(=O)N2CCOCC2)c[n-]1 ZINC000444256140 1196368764 /nfs/dbraw/zinc/36/87/64/1196368764.db2.gz IOBKNELFTMWCBA-UHFFFAOYSA-N 0 3 390.465 0.569 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)C1(C)C ZINC000444261463 1196369154 /nfs/dbraw/zinc/36/91/54/1196369154.db2.gz YBOROJNGGKTLKA-KUHUBIRLSA-N 0 3 376.505 0.724 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)NCCN2CCN(c3ncccn3)CC2)C1(C)C ZINC000444274106 1196369924 /nfs/dbraw/zinc/36/99/24/1196369924.db2.gz XRSHWWUBMNVRBB-HNAYVOBHSA-N 0 3 376.505 0.247 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCCN2CCN(c3ncccn3)CC2)C1(C)C ZINC000444274104 1196370428 /nfs/dbraw/zinc/37/04/28/1196370428.db2.gz XRSHWWUBMNVRBB-BEFAXECRSA-N 0 3 376.505 0.247 20 0 GCADHN O=C(CN1CCN(C(=O)CN2CCCC2)CC1)NCc1cc(F)cc(F)c1 ZINC000103150431 1196374176 /nfs/dbraw/zinc/37/41/76/1196374176.db2.gz KKFJEYLLHFCGHQ-UHFFFAOYSA-N 0 3 380.439 0.821 20 0 GCADHN O=C(CN1CCCC1)N1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000103165957 1196374307 /nfs/dbraw/zinc/37/43/07/1196374307.db2.gz YTUOJDSEUISIRE-KRWDZBQOSA-N 0 3 388.443 0.698 20 0 GCADHN CN(C)[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccco1 ZINC000103297799 1196374564 /nfs/dbraw/zinc/37/45/64/1196374564.db2.gz CBNUTQBXIQLTOC-INIZCTEOSA-N 0 3 377.489 0.832 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000103311870 1196375429 /nfs/dbraw/zinc/37/54/29/1196375429.db2.gz PHQGAQKHNICMAQ-CQSZACIVSA-N 0 3 391.438 0.573 20 0 GCADHN CCN(CC)CC(=O)N1CCN([C@H](C)C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000103492698 1196376490 /nfs/dbraw/zinc/37/64/90/1196376490.db2.gz DDPUBJQHTJDHRZ-MRXNPFEDSA-N 0 3 378.521 0.850 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[S@](=O)C2)c1 ZINC000475092636 1196379043 /nfs/dbraw/zinc/37/90/43/1196379043.db2.gz FBRXGYAJMXCIOE-DXPJPUQTSA-N 0 3 383.514 0.964 20 0 GCADHN CCn1c2ccc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)cc2[nH]c(=O)c1=O ZINC000104531725 1196384992 /nfs/dbraw/zinc/38/49/92/1196384992.db2.gz AGXKXSQZWYKHMX-HNNXBMFYSA-N 0 3 388.468 0.893 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cnn(CC(F)F)c2)CC1 ZINC000475161202 1196385879 /nfs/dbraw/zinc/38/58/79/1196385879.db2.gz HMFMIIULPSNNPY-CYBMUJFWSA-N 0 3 386.447 0.477 20 0 GCADHN COc1ncc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1C(N)=O ZINC000475183377 1196388368 /nfs/dbraw/zinc/38/83/68/1196388368.db2.gz ANQRXHXJXSVIMP-RYUDHWBXSA-N 0 3 377.445 0.507 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1OC ZINC000523025224 1196413608 /nfs/dbraw/zinc/41/36/08/1196413608.db2.gz YOGWNUXSRMCAQN-UHFFFAOYSA-N 0 3 386.474 0.463 20 0 GCADHN C[C@H](O)CCN(C)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000475435336 1196416924 /nfs/dbraw/zinc/41/69/24/1196416924.db2.gz OYYYQZBHGHZDLE-AWEZNQCLSA-N 0 3 390.484 0.552 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@H](O)C3)cn2)CC1 ZINC000475442835 1196423091 /nfs/dbraw/zinc/42/30/91/1196423091.db2.gz DSBNOZWGHIZBEP-ZFWWWQNUSA-N 0 3 376.457 0.770 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](O)C3)cn2)CC1 ZINC000475442832 1196423186 /nfs/dbraw/zinc/42/31/86/1196423186.db2.gz DSBNOZWGHIZBEP-DZGCQCFKSA-N 0 3 376.457 0.770 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)c3cc4n[nH]cc4s3)C2)OCC1=O ZINC001271518488 1196426061 /nfs/dbraw/zinc/42/60/61/1196426061.db2.gz GCQNDUSENWPNBT-KRWDZBQOSA-N 0 3 377.470 0.630 20 0 GCADHN CCN1CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000665669260 1196431779 /nfs/dbraw/zinc/43/17/79/1196431779.db2.gz TWTKGXSMQSYOOY-UONOGXRCSA-N 0 3 397.497 0.725 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](O)C1CCOCC1 ZINC000523045491 1196434125 /nfs/dbraw/zinc/43/41/25/1196434125.db2.gz OWMBJHXJSFQSRQ-INIZCTEOSA-N 0 3 379.457 0.599 20 0 GCADHN CSc1cccc(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000523045625 1196434233 /nfs/dbraw/zinc/43/42/33/1196434233.db2.gz VWTRGJKHFQTKNB-UHFFFAOYSA-N 0 3 394.541 0.853 20 0 GCADHN CN1CCN(c2cc(NC[C@@H]3C[C@@H](O)CN3Cc3ccccc3)ncn2)CC1=O ZINC000302372619 1196441955 /nfs/dbraw/zinc/44/19/55/1196441955.db2.gz CNLZOCGPAFTKTI-ZWKOTPCHSA-N 0 3 396.495 0.802 20 0 GCADHN CCn1cc(NC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)ccc1=O ZINC000523075285 1196455608 /nfs/dbraw/zinc/45/56/08/1196455608.db2.gz VRCYBIQLMDGIEB-UHFFFAOYSA-N 0 3 378.473 0.812 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000609951615 1196466065 /nfs/dbraw/zinc/46/60/65/1196466065.db2.gz QNQVPEYCUAPTHZ-UHFFFAOYSA-N 0 3 376.457 0.556 20 0 GCADHN CNC(=O)NC(=O)CN(C)CCC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001482505706 1196471335 /nfs/dbraw/zinc/47/13/35/1196471335.db2.gz UHVZQUWPCIUTBE-OCABDXPQSA-N 0 3 392.500 0.426 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)CC2CCC2)CC1 ZINC000111298793 1196490954 /nfs/dbraw/zinc/49/09/54/1196490954.db2.gz MLJOCELXLYMXSG-UHFFFAOYSA-N 0 3 384.502 0.856 20 0 GCADHN Cn1cccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1=O ZINC000444516226 1196499956 /nfs/dbraw/zinc/49/99/56/1196499956.db2.gz SCOZZAXSTTYRKZ-SJORKVTESA-N 0 3 398.463 0.323 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000523188626 1196501280 /nfs/dbraw/zinc/50/12/80/1196501280.db2.gz ZIQQFARNVAEFNW-UHFFFAOYSA-N 0 3 381.458 0.630 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1nnc2n1CCCC2 ZINC000523208877 1196502266 /nfs/dbraw/zinc/50/22/66/1196502266.db2.gz PCSMRNBKUOLABL-CQSZACIVSA-N 0 3 377.493 0.356 20 0 GCADHN CC(C)[C@H](CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)N1CCOCC1 ZINC000523208163 1196502399 /nfs/dbraw/zinc/50/23/99/1196502399.db2.gz NWIOXLDSCWFYHA-MSOLQXFVSA-N 0 3 397.564 0.585 20 0 GCADHN C[C@H]1CN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CCN1CC(C)(C)O ZINC000444759796 1196518414 /nfs/dbraw/zinc/51/84/14/1196518414.db2.gz JTRPPUKETFREHD-DOTOQJQBSA-N 0 3 390.484 0.641 20 0 GCADHN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H](CO)CN1CCCCC1)C2=O ZINC000665886546 1196520732 /nfs/dbraw/zinc/52/07/32/1196520732.db2.gz HCTDAJCWNKWZLD-QRWLVFNGSA-N 0 3 394.516 0.840 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000523385511 1196521437 /nfs/dbraw/zinc/52/14/37/1196521437.db2.gz OZEXUWXEOHHDGE-NSHDSACASA-N 0 3 376.383 0.927 20 0 GCADHN CCO[C@H]1C[C@](CO)(NCC(=O)N2CCN(C(=O)c3ccco3)CC2)C1(C)C ZINC000444803107 1196522181 /nfs/dbraw/zinc/52/21/81/1196522181.db2.gz NHIKXFCVTSVWCP-OXJNMPFZSA-N 0 3 393.484 0.720 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523529073 1196530949 /nfs/dbraw/zinc/53/09/49/1196530949.db2.gz AYQOHWRIIMHQCX-DLBZAZTESA-N 0 3 395.529 0.325 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523529074 1196531035 /nfs/dbraw/zinc/53/10/35/1196531035.db2.gz AYQOHWRIIMHQCX-IAGOWNOFSA-N 0 3 395.529 0.325 20 0 GCADHN COCCN1CCC(NC(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000523595151 1196536684 /nfs/dbraw/zinc/53/66/84/1196536684.db2.gz UABCAEJCHVEAOH-UHFFFAOYSA-N 0 3 380.464 0.894 20 0 GCADHN CC(=O)NC[C@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523626630 1196537415 /nfs/dbraw/zinc/53/74/15/1196537415.db2.gz LKZXSWOZSZTKKN-IAGOWNOFSA-N 0 3 381.521 0.487 20 0 GCADHN CC(=O)NC[C@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523626632 1196538076 /nfs/dbraw/zinc/53/80/76/1196538076.db2.gz LKZXSWOZSZTKKN-SJORKVTESA-N 0 3 381.521 0.487 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000523655647 1196543589 /nfs/dbraw/zinc/54/35/89/1196543589.db2.gz XLUKLKANVLQUKP-UHFFFAOYSA-N 0 3 380.514 0.205 20 0 GCADHN Cc1ncc2c(n1)CC[C@@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C2 ZINC000523917648 1196566157 /nfs/dbraw/zinc/56/61/57/1196566157.db2.gz WYSDOYGTJNUDGI-AEFFLSMTSA-N 0 3 388.516 0.884 20 0 GCADHN COCCN(C)CCOc1cccc(CNS(=O)(=O)c2cn(C)cn2)c1 ZINC000524331442 1196589075 /nfs/dbraw/zinc/58/90/75/1196589075.db2.gz KXWDUWIPQOVCSC-UHFFFAOYSA-N 0 3 382.486 0.856 20 0 GCADHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000445768567 1196589183 /nfs/dbraw/zinc/58/91/83/1196589183.db2.gz WTSFWLNUSWZBFB-BRWVUGGUSA-N 0 3 399.557 0.969 20 0 GCADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@H]1CCCC[C@H]1C(N)=O ZINC000445763775 1196590253 /nfs/dbraw/zinc/59/02/53/1196590253.db2.gz GKFRLBRUHIPEHU-DFBGVHRSSA-N 0 3 394.497 0.245 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)CN[C@H]2CCCC[C@H]2C(N)=O)ccc1C ZINC000445779238 1196590501 /nfs/dbraw/zinc/59/05/01/1196590501.db2.gz DJRUWVBAISJSOY-KGLIPLIRSA-N 0 3 382.486 0.475 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)CN1CCN(C)CC1 ZINC000524416923 1196593490 /nfs/dbraw/zinc/59/34/90/1196593490.db2.gz WIBVOPWBJQRGIY-YYIAUSFCSA-N 0 3 378.517 0.550 20 0 GCADHN Cc1ncc2c(n1)CC[C@@H](NC(=O)NCCCCN1CCN(CCO)CC1)C2 ZINC000524421578 1196594286 /nfs/dbraw/zinc/59/42/86/1196594286.db2.gz NKBQFPGSUKWHBL-GOSISDBHSA-N 0 3 390.532 0.332 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC(=O)N1CCCCC1 ZINC000524433935 1196595092 /nfs/dbraw/zinc/59/50/92/1196595092.db2.gz VXFGRJFAAYIYFT-UHFFFAOYSA-N 0 3 376.457 0.824 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2)Cc1ccccc1 ZINC000897343960 1196599816 /nfs/dbraw/zinc/59/98/16/1196599816.db2.gz DOWKVLXXOCDOEC-KSZLIROESA-N 0 3 386.496 0.497 20 0 GCADHN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000445914056 1196600440 /nfs/dbraw/zinc/60/04/40/1196600440.db2.gz XTZZPZHKVQQDOM-CQSZACIVSA-N 0 3 398.529 0.863 20 0 GCADHN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NC[C@H](C)N3CCCC3)cc21 ZINC000524717216 1196618446 /nfs/dbraw/zinc/61/84/46/1196618446.db2.gz HNSMJXVAJJBSOJ-AWEZNQCLSA-N 0 3 385.468 0.926 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000446195455 1196621147 /nfs/dbraw/zinc/62/11/47/1196621147.db2.gz IXZYUOQAUINISF-MFCZKXCZSA-N 0 3 379.501 0.616 20 0 GCADHN O=C([C@H]1C[C@H](F)CN1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000446200829 1196621943 /nfs/dbraw/zinc/62/19/43/1196621943.db2.gz MGNCGOZXXNKRFY-DOTOQJQBSA-N 0 3 381.473 0.708 20 0 GCADHN CN(C)CCN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)C1CCCC1 ZINC000524771847 1196623487 /nfs/dbraw/zinc/62/34/87/1196623487.db2.gz ROMUFUNVGQLIKS-UHFFFAOYSA-N 0 3 375.473 0.372 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000446256616 1196629333 /nfs/dbraw/zinc/62/93/33/1196629333.db2.gz BNNFCNVYDSPYJH-BLIXFSHQSA-N 0 3 392.544 0.676 20 0 GCADHN Cn1c2ncc(NC(=O)[C@]3(N)[C@H]4CCCO[C@@H]4C3(C)C)cc2c(=O)n(C)c1=O ZINC000446258592 1196629752 /nfs/dbraw/zinc/62/97/52/1196629752.db2.gz NJEXZQFAASSPRW-WTOJCKNJSA-N 0 3 387.440 0.103 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446265265 1196631175 /nfs/dbraw/zinc/63/11/75/1196631175.db2.gz DCRMQZGBOAWJIP-STXHMFSFSA-N 0 3 399.499 0.544 20 0 GCADHN CCN(CC)C(=O)CN1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446289165 1196631737 /nfs/dbraw/zinc/63/17/37/1196631737.db2.gz PNTUIDZZDQROCE-WRWLIDTKSA-N 0 3 380.533 0.532 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446371011 1196638373 /nfs/dbraw/zinc/63/83/73/1196638373.db2.gz NXUKFKRAQNQTTH-GMBSWORKSA-N 0 3 377.489 0.686 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446371019 1196638662 /nfs/dbraw/zinc/63/86/62/1196638662.db2.gz NXUKFKRAQNQTTH-ZSZQSSIHSA-N 0 3 377.489 0.686 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000446378258 1196638797 /nfs/dbraw/zinc/63/87/97/1196638797.db2.gz ZXFIOWYXKBXTHO-DDUZABMNSA-N 0 3 394.497 0.724 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446383789 1196639061 /nfs/dbraw/zinc/63/90/61/1196639061.db2.gz JZZKOZZWWZBWSA-HDMKZQKVSA-N 0 3 387.546 0.839 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446383791 1196639285 /nfs/dbraw/zinc/63/92/85/1196639285.db2.gz JZZKOZZWWZBWSA-RLFYNMQTSA-N 0 3 387.546 0.839 20 0 GCADHN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)CCO2)n1 ZINC000446374414 1196640502 /nfs/dbraw/zinc/64/05/02/1196640502.db2.gz JVPATIYEPKUUEL-CYJAXWMASA-N 0 3 377.489 0.655 20 0 GCADHN CN(CCNC(=O)C1CCN(C(=O)Cn2cnnn2)CC1)Cc1ccccc1 ZINC000525084625 1196647845 /nfs/dbraw/zinc/64/78/45/1196647845.db2.gz PFZRROIMVXBHCY-UHFFFAOYSA-N 0 3 385.472 0.160 20 0 GCADHN C[C@H]1CCN(CCNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000525293263 1196665294 /nfs/dbraw/zinc/66/52/94/1196665294.db2.gz JWAZMWPELBUNIP-HNNXBMFYSA-N 0 3 381.498 0.779 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCNC(=O)[C@H]2c2cccs2)CC1 ZINC000525302728 1196666197 /nfs/dbraw/zinc/66/61/97/1196666197.db2.gz NKNYUCWIVBYNIQ-MRXNPFEDSA-N 0 3 379.530 0.958 20 0 GCADHN CCn1nccc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000446815361 1196673068 /nfs/dbraw/zinc/67/30/68/1196673068.db2.gz SYMSTGAQRJDRHP-SJORKVTESA-N 0 3 385.468 0.841 20 0 GCADHN COc1ccc([C@@H](CCn2cncn2)NC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000446925531 1196682922 /nfs/dbraw/zinc/68/29/22/1196682922.db2.gz PQRNUNBQFCZEFN-IAGOWNOFSA-N 0 3 380.470 0.821 20 0 GCADHN COC[C@H](NCc1ccccc1S(=O)(=O)N(C)CCO)C1CCOCC1 ZINC000446927978 1196683516 /nfs/dbraw/zinc/68/35/16/1196683516.db2.gz JFPFJKXSHNCVRT-KRWDZBQOSA-N 0 3 386.514 0.831 20 0 GCADHN C[C@H](CCCO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000447010616 1196688006 /nfs/dbraw/zinc/68/80/06/1196688006.db2.gz KSGIAVUYAKAWMK-GFCCVEGCSA-N 0 3 378.429 0.372 20 0 GCADHN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000429701608 1196693875 /nfs/dbraw/zinc/69/38/75/1196693875.db2.gz VDZZQSZEWJUXPB-INIZCTEOSA-N 0 3 388.534 0.018 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(F)c(OC)cc2OC)CC1 ZINC000447260104 1196703936 /nfs/dbraw/zinc/70/39/36/1196703936.db2.gz XKRZYICGYAENQQ-CYBMUJFWSA-N 0 3 396.463 0.924 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000428478763 1196705946 /nfs/dbraw/zinc/70/59/46/1196705946.db2.gz HHSOBALAGQUEFD-DOTOQJQBSA-N 0 3 397.545 0.954 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1cnn(-c2ccccn2)c1 ZINC000525743653 1196705967 /nfs/dbraw/zinc/70/59/67/1196705967.db2.gz SSFUZVXXDHGBEA-UHFFFAOYSA-N 0 3 387.488 0.779 20 0 GCADHN CCN1CCN([C@@H]2CCN(Cc3nnnn3CCOCC(F)(F)F)C2)CC1 ZINC000447348901 1196710094 /nfs/dbraw/zinc/71/00/94/1196710094.db2.gz LAGQYJZRQMJBLS-CQSZACIVSA-N 0 3 391.442 0.464 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000525791898 1196712407 /nfs/dbraw/zinc/71/24/07/1196712407.db2.gz ANDGVCPHKFQQCJ-UHFFFAOYSA-N 0 3 385.486 0.422 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000525815638 1196712769 /nfs/dbraw/zinc/71/27/69/1196712769.db2.gz FNWZTTILBFZTTI-ZACQAIPSSA-N 0 3 388.578 0.915 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000525815637 1196713085 /nfs/dbraw/zinc/71/30/85/1196713085.db2.gz FNWZTTILBFZTTI-IXDOHACOSA-N 0 3 388.578 0.915 20 0 GCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000525821814 1196713274 /nfs/dbraw/zinc/71/32/74/1196713274.db2.gz PVIHWNZKBAOZJS-MRXNPFEDSA-N 0 3 398.529 0.240 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c2ccccc2O1 ZINC000525909968 1196723913 /nfs/dbraw/zinc/72/39/13/1196723913.db2.gz WEZQXXOWMDGQLH-CXAGYDPISA-N 0 3 387.436 0.720 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)cs1 ZINC000525921139 1196726083 /nfs/dbraw/zinc/72/60/83/1196726083.db2.gz KHXVOQYHPAROHU-CYBMUJFWSA-N 0 3 399.542 0.704 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)cs1 ZINC000525921140 1196726099 /nfs/dbraw/zinc/72/60/99/1196726099.db2.gz KHXVOQYHPAROHU-ZDUSSCGKSA-N 0 3 399.542 0.704 20 0 GCADHN CN(CCN1CCN(C(=O)CN2CSCC2=O)CC1)Cc1ccccc1 ZINC000171519410 1196728516 /nfs/dbraw/zinc/72/85/16/1196728516.db2.gz IKIBRYRQUYHTGF-UHFFFAOYSA-N 0 3 376.526 0.796 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cnnn1-c1cccc(F)c1 ZINC000447559744 1196731339 /nfs/dbraw/zinc/73/13/39/1196731339.db2.gz VJKIIZSELLHDPR-UHFFFAOYSA-N 0 3 390.463 0.526 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)N2CCN(c3ccncc3OC)CC2)C1 ZINC000525982414 1196731594 /nfs/dbraw/zinc/73/15/94/1196731594.db2.gz SYFPDEWFTJZHDH-UHFFFAOYSA-N 0 3 397.501 0.203 20 0 GCADHN CC(C)CCn1nccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000526414063 1196745253 /nfs/dbraw/zinc/74/52/53/1196745253.db2.gz ZMHWMVAQCVIYKZ-UHFFFAOYSA-N 0 3 378.521 0.964 20 0 GCADHN CCN1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)[C@@H](C)C1=O ZINC000526595285 1196746064 /nfs/dbraw/zinc/74/60/64/1196746064.db2.gz UBTOEVXDBLKUEG-ZDUSSCGKSA-N 0 3 376.457 0.775 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CC1=O ZINC000526946285 1196750273 /nfs/dbraw/zinc/75/02/73/1196750273.db2.gz RKFXHGYRVHLOBF-NVXWUHKLSA-N 0 3 378.517 0.836 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CC1=O ZINC000526946287 1196750287 /nfs/dbraw/zinc/75/02/87/1196750287.db2.gz RKFXHGYRVHLOBF-WBVHZDCISA-N 0 3 378.517 0.836 20 0 GCADHN C[C@H]1OCC[C@]12CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H](C)O2 ZINC000447834583 1196752818 /nfs/dbraw/zinc/75/28/18/1196752818.db2.gz RDGDEDCRNPJYPA-LBTNJELSSA-N 0 3 397.497 0.931 20 0 GCADHN Cc1cc(N2CCN(C(=O)CN[C@@H](CO)[C@@H]3CCCO3)CC2)nc(C(C)C)n1 ZINC000447907685 1196756342 /nfs/dbraw/zinc/75/63/42/1196756342.db2.gz ALGUWRASAFCATE-IRXDYDNUSA-N 0 3 391.516 0.687 20 0 GCADHN O=C(CN[C@@H](CO)[C@H]1CCCO1)NCc1ccccc1CN1CCOCC1 ZINC000447908911 1196756982 /nfs/dbraw/zinc/75/69/82/1196756982.db2.gz AVTRATORSYEKFH-RBUKOAKNSA-N 0 3 377.485 0.265 20 0 GCADHN O=C(CN[C@H](CO)[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000447909996 1196757059 /nfs/dbraw/zinc/75/70/59/1196757059.db2.gz DZHVYIDSUIBFPT-UYAOXDASSA-N 0 3 389.496 0.395 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN[C@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447901462 1196759699 /nfs/dbraw/zinc/75/96/99/1196759699.db2.gz BYFLXJKEYXJRHM-MOPGFXCFSA-N 0 3 377.485 0.469 20 0 GCADHN CCN1CCCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1=O ZINC000527060327 1196759864 /nfs/dbraw/zinc/75/98/64/1196759864.db2.gz AYJIIXPXLWMORZ-UHFFFAOYSA-N 0 3 376.457 0.776 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N[C@@H](CO)[C@H]3CCCO3)cc2)CC1 ZINC000447968651 1196762621 /nfs/dbraw/zinc/76/26/21/1196762621.db2.gz QZYGZYYIKNDCIR-RBUKOAKNSA-N 0 3 376.501 0.773 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)c2ccccc2O1 ZINC000527147989 1196767793 /nfs/dbraw/zinc/76/77/93/1196767793.db2.gz AUUCRXUYJHRJBJ-MRXNPFEDSA-N 0 3 375.425 0.506 20 0 GCADHN CN1CCN(CCCCNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000527138431 1196769376 /nfs/dbraw/zinc/76/93/76/1196769376.db2.gz HOFQYPAPYIAUTI-RTBURBONSA-N 0 3 392.544 0.571 20 0 GCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000448255794 1196783830 /nfs/dbraw/zinc/78/38/30/1196783830.db2.gz KIXADPPJBRTSCU-MRXNPFEDSA-N 0 3 383.537 0.197 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000448285857 1196788909 /nfs/dbraw/zinc/78/89/09/1196788909.db2.gz QGAAJMJXNBQPHB-BMGDILEWSA-N 0 3 397.541 0.486 20 0 GCADHN CC(C)n1nccc1[C@@H]1OCC[C@H]1NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000624794966 1196789112 /nfs/dbraw/zinc/78/91/12/1196789112.db2.gz HKBIQZDEILWRRH-CRAIPNDOSA-N 0 3 392.504 0.709 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000448285858 1196789172 /nfs/dbraw/zinc/78/91/72/1196789172.db2.gz QGAAJMJXNBQPHB-JCGIZDLHSA-N 0 3 397.541 0.486 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C[C@@H](C)O1 ZINC000527495454 1196791102 /nfs/dbraw/zinc/79/11/02/1196791102.db2.gz IVICDSSVHMJSFB-HIFRSBDPSA-N 0 3 379.457 0.958 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000448322022 1196792330 /nfs/dbraw/zinc/79/23/30/1196792330.db2.gz PNBRLKQXSSWLLV-INIZCTEOSA-N 0 3 384.484 1.502 20 0 GCADHN COc1c(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cccc1C(N)=O ZINC000448322576 1196792373 /nfs/dbraw/zinc/79/23/73/1196792373.db2.gz SCRDBEKKICQAGE-AWEZNQCLSA-N 0 3 376.457 0.969 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@H]3CCCO3)cn2)CC1 ZINC000448403696 1196798924 /nfs/dbraw/zinc/79/89/24/1196798924.db2.gz HZHAIXAGHBSNEN-JKSUJKDBSA-N 0 3 392.456 0.149 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448467422 1196804047 /nfs/dbraw/zinc/80/40/47/1196804047.db2.gz QMCZDYQUBPAHCO-OAHLLOKOSA-N 0 3 399.517 0.112 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448471094 1196804854 /nfs/dbraw/zinc/80/48/54/1196804854.db2.gz BLROFSVALWBIBT-UHFFFAOYSA-N 0 3 395.485 0.726 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000528117630 1196834162 /nfs/dbraw/zinc/83/41/62/1196834162.db2.gz KWAJQRXBOPIFTE-UHFFFAOYSA-N 0 3 383.522 0.550 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n(C2CCOCC2)n1 ZINC000528415099 1196857539 /nfs/dbraw/zinc/85/75/39/1196857539.db2.gz QLDWEEOOJFLKHC-UHFFFAOYSA-N 0 3 389.500 0.923 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cnn(C3CCCC3)c2)CC1 ZINC000632112741 1196858377 /nfs/dbraw/zinc/85/83/77/1196858377.db2.gz GYAWYGBFYKADCS-KRWDZBQOSA-N 0 3 395.529 0.925 20 0 GCADHN CCN(C(=O)CN1CCC(C)(N2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000528731193 1196883190 /nfs/dbraw/zinc/88/31/90/1196883190.db2.gz RNLBXTGZKLTUHU-INIZCTEOSA-N 0 3 387.546 0.209 20 0 GCADHN CCN1C[C@@H](NCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CC1=O ZINC000449518050 1196884782 /nfs/dbraw/zinc/88/47/82/1196884782.db2.gz MJYFQZCOXIKHOH-INIZCTEOSA-N 0 3 391.468 0.643 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CC1 ZINC000120020099 1196898434 /nfs/dbraw/zinc/89/84/34/1196898434.db2.gz UAWYSXJWWNRDMW-CQSZACIVSA-N 0 3 399.499 0.861 20 0 GCADHN CC(C)[C@H]1CNCCN1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000529299598 1196911527 /nfs/dbraw/zinc/91/15/27/1196911527.db2.gz LLFJECVSHYWNID-QGZVFWFLSA-N 0 3 388.516 0.760 20 0 GCADHN CC(C)[C@@H]1CNCCN1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000529299597 1196911708 /nfs/dbraw/zinc/91/17/08/1196911708.db2.gz LLFJECVSHYWNID-KRWDZBQOSA-N 0 3 388.516 0.760 20 0 GCADHN CC(=O)NC[C@H](CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)CC(C)C ZINC000450149035 1196916416 /nfs/dbraw/zinc/91/64/16/1196916416.db2.gz RMHNOLCQGBYGSU-ZWKOTPCHSA-N 0 3 380.533 0.940 20 0 GCADHN COCCn1cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)ccc1=O ZINC000149000358 1196921159 /nfs/dbraw/zinc/92/11/59/1196921159.db2.gz WTXOYIPWBMOJQS-LSDHHAIUSA-N 0 3 378.473 0.670 20 0 GCADHN O=C(NCCc1ccc(OC(F)F)cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000785412833 1196925907 /nfs/dbraw/zinc/92/59/07/1196925907.db2.gz VOSYHZHCDVPRLA-ZBFHGGJFSA-N 0 3 397.422 0.926 20 0 GCADHN O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000529725712 1196934678 /nfs/dbraw/zinc/93/46/78/1196934678.db2.gz NVNZRCPLFROUEI-QGZVFWFLSA-N 0 3 392.525 0.930 20 0 GCADHN CC[C@H](C)N1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000450855449 1196958595 /nfs/dbraw/zinc/95/85/95/1196958595.db2.gz GIIHICCFBQWTBS-INIZCTEOSA-N 0 3 381.546 0.938 20 0 GCADHN CC1(N2CCOCC2)CCN(CN2C[C@](CO)(c3ccccn3)CC2=O)CC1 ZINC000530102901 1196961849 /nfs/dbraw/zinc/96/18/49/1196961849.db2.gz CQZLFPVNQSWSLO-OAQYLSRUSA-N 0 3 388.512 0.688 20 0 GCADHN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@H]1CN2CCN1CCC2 ZINC000530350948 1196980868 /nfs/dbraw/zinc/98/08/68/1196980868.db2.gz SDUCYFHZYDQYAF-QZTJIDSGSA-N 0 3 392.450 0.962 20 0 GCADHN CNS(=O)(=O)[C@H]1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000121763429 1196985113 /nfs/dbraw/zinc/98/51/13/1196985113.db2.gz UFERPNJDOKPUPY-SFHVURJKSA-N 0 3 394.541 0.657 20 0 GCADHN COCCN(C(=O)CN[C@@H]1C[C@H](OC(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000451493683 1196995475 /nfs/dbraw/zinc/99/54/75/1196995475.db2.gz JONHVEOYLLXODJ-XHSDSOJGSA-N 0 3 390.546 0.830 20 0 GCADHN CCc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1S(N)(=O)=O ZINC000530568150 1196996850 /nfs/dbraw/zinc/99/68/50/1196996850.db2.gz RRAFJEXFPNIKSY-LBPRGKRZSA-N 0 3 382.486 0.293 20 0 GCADHN COC(=O)c1ccc(OCCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000530577673 1196998732 /nfs/dbraw/zinc/99/87/32/1196998732.db2.gz YOQJKLPHIPYWSO-OAHLLOKOSA-N 0 3 377.441 0.378 20 0 GCADHN CO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1C ZINC000451563119 1196998993 /nfs/dbraw/zinc/99/89/93/1196998993.db2.gz JPZGBVHBQUTGRY-WMZOPIPTSA-N 0 3 395.525 0.876 20 0 GCADHN CC(C)Cn1c(N)c(C(=O)CN[C@H]([C@H](CO)C2CC2)C2CC2)c(=O)[nH]c1=O ZINC000451616461 1197002882 /nfs/dbraw/zinc/00/28/82/1197002882.db2.gz VSISWWXBFQPGDJ-CJNGLKHVSA-N 0 3 378.473 0.757 20 0 GCADHN CC[C@@H]1CN(CC)CCN1Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000451727738 1197011096 /nfs/dbraw/zinc/01/10/96/1197011096.db2.gz BOPKRAIYPPXJGO-CQSZACIVSA-N 0 3 378.502 0.982 20 0 GCADHN CN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H](CO)CC(C)(C)C ZINC000451783624 1197015366 /nfs/dbraw/zinc/01/53/66/1197015366.db2.gz SENICKSNKUZCKB-INIZCTEOSA-N 0 3 384.565 0.774 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000451802655 1197015762 /nfs/dbraw/zinc/01/57/62/1197015762.db2.gz ORTIKQPBYJSLIE-INIZCTEOSA-N 0 3 382.549 0.528 20 0 GCADHN COC[C@](C)(O)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000530782369 1197016699 /nfs/dbraw/zinc/01/66/99/1197016699.db2.gz YZTXXZNDXAAVJC-NRFANRHFSA-N 0 3 391.512 0.871 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000530806628 1197017414 /nfs/dbraw/zinc/01/74/14/1197017414.db2.gz WRZKPDGREAMQMH-CYBMUJFWSA-N 0 3 394.497 0.524 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000530906616 1197027224 /nfs/dbraw/zinc/02/72/24/1197027224.db2.gz WGEUJFYTPKAMFG-OAHLLOKOSA-N 0 3 376.505 0.122 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1C ZINC000282033044 1197031839 /nfs/dbraw/zinc/03/18/39/1197031839.db2.gz PBLCDJORPABRDO-UHFFFAOYSA-N 0 3 390.484 0.862 20 0 GCADHN CCO[C@@H]1CCC[C@H]1NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000452027329 1197033705 /nfs/dbraw/zinc/03/37/05/1197033705.db2.gz WBSLHEJBAAVJFH-QBPKDAKJSA-N 0 3 388.530 0.728 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCOC[C@H]2CC(N)=O)CC1 ZINC000452078841 1197038168 /nfs/dbraw/zinc/03/81/68/1197038168.db2.gz FGMLFSNXYIRNBQ-LJQANCHMSA-N 0 3 388.512 0.606 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)Cc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000531013834 1197038879 /nfs/dbraw/zinc/03/88/79/1197038879.db2.gz OSGQVXHSKMHSQH-GJZGRUSLSA-N 0 3 383.514 0.882 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000531044223 1197041876 /nfs/dbraw/zinc/04/18/76/1197041876.db2.gz GFYBKHPJIBTSEZ-AWEZNQCLSA-N 0 3 386.452 0.732 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000531088891 1197044988 /nfs/dbraw/zinc/04/49/88/1197044988.db2.gz CLOIKBBPPHIAHQ-CYBMUJFWSA-N 0 3 376.457 0.809 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@H](O)CN1CCN(C2CCOCC2)CC1 ZINC000531103911 1197045414 /nfs/dbraw/zinc/04/54/14/1197045414.db2.gz ASMWTVGPVFBZMS-GOSISDBHSA-N 0 3 388.468 0.661 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000531108387 1197046045 /nfs/dbraw/zinc/04/60/45/1197046045.db2.gz AZYDCTNQUPVAAB-OAHLLOKOSA-N 0 3 388.534 0.305 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cccc(N3CCCNC3=O)c2)CC1 ZINC000531112540 1197046658 /nfs/dbraw/zinc/04/66/58/1197046658.db2.gz GYNBRAGOAQSJOM-UHFFFAOYSA-N 0 3 399.495 0.987 20 0 GCADHN CC1(C)CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCN1 ZINC000531115197 1197047925 /nfs/dbraw/zinc/04/79/25/1197047925.db2.gz KHIFBMPFDILMNQ-UHFFFAOYSA-N 0 3 397.497 0.727 20 0 GCADHN NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000665989493 1197048821 /nfs/dbraw/zinc/04/88/21/1197048821.db2.gz MJQBHLPLMZOYJA-IAGOWNOFSA-N 0 3 380.514 0.855 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1)CN1CCN(C)CC1 ZINC000531182409 1197052339 /nfs/dbraw/zinc/05/23/39/1197052339.db2.gz QLGZPCODIPTAAA-HNNXBMFYSA-N 0 3 385.472 0.206 20 0 GCADHN CC(C)NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000452350367 1197053421 /nfs/dbraw/zinc/05/34/21/1197053421.db2.gz ODBVWHFUKUGCQV-MRXNPFEDSA-N 0 3 383.514 0.950 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000452348964 1197053698 /nfs/dbraw/zinc/05/36/98/1197053698.db2.gz LXVMTLSRSQBLKW-KRWDZBQOSA-N 0 3 395.525 0.952 20 0 GCADHN COc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1S(=O)(=O)N(C)C ZINC000452354706 1197054316 /nfs/dbraw/zinc/05/43/16/1197054316.db2.gz WFNCZNYANIOZCT-HNNXBMFYSA-N 0 3 399.513 0.522 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000452384850 1197055687 /nfs/dbraw/zinc/05/56/87/1197055687.db2.gz SBSXCAWGIQUKLE-SQNIBIBYSA-N 0 3 379.501 0.391 20 0 GCADHN C[C@H]1Cc2cc(C(=O)N[C@@H]3CCCN(CCCO)C3)ccc2N1S(C)(=O)=O ZINC000452378718 1197057881 /nfs/dbraw/zinc/05/78/81/1197057881.db2.gz XMBOHTRXLIJCPI-WMLDXEAASA-N 0 3 395.525 0.974 20 0 GCADHN NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCCN1CCO ZINC000452389210 1197060697 /nfs/dbraw/zinc/06/06/97/1197060697.db2.gz LPDXCWXPRQLHBN-MAUKXSAKSA-N 0 3 387.484 0.710 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000531283597 1197062436 /nfs/dbraw/zinc/06/24/36/1197062436.db2.gz XBVQDDDWUFFBPG-HNNXBMFYSA-N 0 3 388.468 0.556 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c1C ZINC000531283569 1197062516 /nfs/dbraw/zinc/06/25/16/1197062516.db2.gz URLKYUUHKBVUBZ-LLVKDONJSA-N 0 3 382.486 0.347 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000531283389 1197062573 /nfs/dbraw/zinc/06/25/73/1197062573.db2.gz LKSIHDVOZNLLFA-CYBMUJFWSA-N 0 3 383.452 0.739 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000531283457 1197062629 /nfs/dbraw/zinc/06/26/29/1197062629.db2.gz YYMBNQREKKNUPX-AWEZNQCLSA-N 0 3 376.457 0.550 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000531396890 1197073175 /nfs/dbraw/zinc/07/31/75/1197073175.db2.gz BVMZQKSKDHLAER-UHFFFAOYSA-N 0 3 392.500 0.610 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC000531482239 1197077533 /nfs/dbraw/zinc/07/75/33/1197077533.db2.gz SAXVUDJHVLMZNU-IAGOWNOFSA-N 0 3 386.562 0.765 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452780060 1197080478 /nfs/dbraw/zinc/08/04/78/1197080478.db2.gz HAVWUDCZHQVQBX-ZWKOTPCHSA-N 0 3 390.463 0.867 20 0 GCADHN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H]3CCCN3CCCO)cnc21 ZINC000452784087 1197081094 /nfs/dbraw/zinc/08/10/94/1197081094.db2.gz NQZJZQLVYNQUJI-AWEZNQCLSA-N 0 3 389.456 0.484 20 0 GCADHN O=C(CC1(C(=O)NC[C@@H]2CCCN2CCCO)CCCC1)N1CCOCC1 ZINC000452782913 1197081205 /nfs/dbraw/zinc/08/12/05/1197081205.db2.gz KYGWVRKQKAFJFW-KRWDZBQOSA-N 0 3 381.517 0.759 20 0 GCADHN NS(=O)(=O)c1cccc2c1ccnc2C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452793660 1197081988 /nfs/dbraw/zinc/08/19/88/1197081988.db2.gz DRBYSMVOGQCWHC-CYBMUJFWSA-N 0 3 392.481 0.459 20 0 GCADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000531556181 1197082529 /nfs/dbraw/zinc/08/25/29/1197082529.db2.gz MPXPWWJTJFYGTI-JFIYKMOQSA-N 0 3 393.532 0.044 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCCCN3C(=O)CCC3=O)C2)CC1 ZINC000531584701 1197085545 /nfs/dbraw/zinc/08/55/45/1197085545.db2.gz FHGZGSUGLQAXPW-MRXNPFEDSA-N 0 3 379.505 0.335 20 0 GCADHN C[C@@H](NCCNC(=O)c1cnccn1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000531708546 1197093239 /nfs/dbraw/zinc/09/32/39/1197093239.db2.gz HIZPWOOIOXZCSS-CYBMUJFWSA-N 0 3 377.470 0.808 20 0 GCADHN Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000531939710 1197104744 /nfs/dbraw/zinc/10/47/44/1197104744.db2.gz OBLVTSBUWWJTAN-GOEBONIOSA-N 0 3 376.486 0.982 20 0 GCADHN CNC(=O)c1cc(S(=O)(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cn1C ZINC000532089209 1197111027 /nfs/dbraw/zinc/11/10/27/1197111027.db2.gz TYGLRZFQCRFOMC-OAHLLOKOSA-N 0 3 397.545 0.174 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532078170 1197112094 /nfs/dbraw/zinc/11/20/94/1197112094.db2.gz WDWHXAOIMXJTKT-CXAGYDPISA-N 0 3 389.500 0.859 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532078170 1197112095 /nfs/dbraw/zinc/11/20/95/1197112095.db2.gz WDWHXAOIMXJTKT-CXAGYDPISA-N 0 3 389.500 0.859 20 0 GCADHN Cc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000532094673 1197113270 /nfs/dbraw/zinc/11/32/70/1197113270.db2.gz AJLPLRUYNBQARK-IRXDYDNUSA-N 0 3 375.521 0.711 20 0 GCADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000532097727 1197113507 /nfs/dbraw/zinc/11/35/07/1197113507.db2.gz KESIPIBDKHGJAN-WMZOPIPTSA-N 0 3 394.541 0.515 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000453620645 1197114643 /nfs/dbraw/zinc/11/46/43/1197114643.db2.gz DYMDFYCDBRSQQF-CQSZACIVSA-N 0 3 392.456 0.302 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)CCCC2=O ZINC000453710929 1197124763 /nfs/dbraw/zinc/12/47/63/1197124763.db2.gz LEYDJIKLCVWSAG-UHFFFAOYSA-N 0 3 391.468 0.543 20 0 GCADHN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@H]3CCCN3CCCO)c2)n[nH]1 ZINC000453809717 1197134043 /nfs/dbraw/zinc/13/40/43/1197134043.db2.gz VIBLZEJSDDNJCV-MRXNPFEDSA-N 0 3 386.456 0.682 20 0 GCADHN CN1CCN(CCCCNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000532277389 1197134270 /nfs/dbraw/zinc/13/42/70/1197134270.db2.gz HXNBSZHTCWQXHC-HXUWFJFHSA-N 0 3 387.484 0.499 20 0 GCADHN CN1CCOc2ccc(NC(=O)C(=O)NC[C@@H]3CCCN3CCCO)cc21 ZINC000453810895 1197134749 /nfs/dbraw/zinc/13/47/49/1197134749.db2.gz YKXOMKLJRMASES-HNNXBMFYSA-N 0 3 376.457 0.417 20 0 GCADHN CCOC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453802136 1197137290 /nfs/dbraw/zinc/13/72/90/1197137290.db2.gz CIWDNGCJUGIZIN-AWEZNQCLSA-N 0 3 377.441 0.765 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000453801563 1197137525 /nfs/dbraw/zinc/13/75/25/1197137525.db2.gz AILPKUHLCUYFRZ-INIZCTEOSA-N 0 3 389.431 0.913 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c(OC)c1 ZINC000453808134 1197139601 /nfs/dbraw/zinc/13/96/01/1197139601.db2.gz QMSDCTTZRZGDIM-AWEZNQCLSA-N 0 3 393.440 0.383 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cc1F ZINC000453810142 1197140068 /nfs/dbraw/zinc/14/00/68/1197140068.db2.gz WVEJBTOCAWBRII-GFCCVEGCSA-N 0 3 383.420 0.744 20 0 GCADHN C[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000453897923 1197146539 /nfs/dbraw/zinc/14/65/39/1197146539.db2.gz LLYBGPPQEBBYBX-CJNGLKHVSA-N 0 3 376.457 0.865 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 ZINC000532350729 1197147492 /nfs/dbraw/zinc/14/74/92/1197147492.db2.gz HRPAUOJMDYUQBR-GFCCVEGCSA-N 0 3 385.461 0.767 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC000986313206 1197164129 /nfs/dbraw/zinc/16/41/29/1197164129.db2.gz RSUBFZGEBPRHAD-ZMMAXQRCSA-N 0 3 393.528 0.829 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC000986317340 1197164792 /nfs/dbraw/zinc/16/47/92/1197164792.db2.gz NMXMVPRQRDIVDA-RCJHGTSTSA-N 0 3 379.501 0.582 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cc4nnc5n4CCC5)cc3)C[C@@H]21 ZINC000453921174 1197173986 /nfs/dbraw/zinc/17/39/86/1197173986.db2.gz SJLRKFGRQFEKKT-WBVHZDCISA-N 0 3 394.479 0.916 20 0 GCADHN Cc1c(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cccc1S(=O)(=O)N(C)C ZINC000453921080 1197175331 /nfs/dbraw/zinc/17/53/31/1197175331.db2.gz SBIMXJPHEISTLW-DZGCQCFKSA-N 0 3 394.497 0.346 20 0 GCADHN CN1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H](N4CC=CC4)C3)c2)CC1 ZINC000173215059 1197175922 /nfs/dbraw/zinc/17/59/22/1197175922.db2.gz YENYFNHGFQNOJO-HXUWFJFHSA-N 0 3 397.523 0.845 20 0 GCADHN CC(C)[C@@H](CNC(=O)N1CCC[C@H]1CN1CCOCC1)N1CCN(C)CC1 ZINC000173684129 1197178153 /nfs/dbraw/zinc/17/81/53/1197178153.db2.gz CDTKJOJPZZYIPO-RBUKOAKNSA-N 0 3 381.565 0.765 20 0 GCADHN CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1CN1CCOCC1)N1CCN(C)CC1 ZINC000173684102 1197178236 /nfs/dbraw/zinc/17/82/36/1197178236.db2.gz CDTKJOJPZZYIPO-RTBURBONSA-N 0 3 381.565 0.765 20 0 GCADHN CCn1c(N)c(C(=O)CN2CC[C@@H](C)N(Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000173994644 1197180500 /nfs/dbraw/zinc/18/05/00/1197180500.db2.gz GIZUJLCXMSJMTH-OAHLLOKOSA-N 0 3 399.495 0.918 20 0 GCADHN Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428524222 1197183643 /nfs/dbraw/zinc/18/36/43/1197183643.db2.gz JBGAQMUQBULLPK-CQSZACIVSA-N 0 3 378.454 0.491 20 0 GCADHN CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000897379997 1197187036 /nfs/dbraw/zinc/18/70/36/1197187036.db2.gz BOEXJPKCUMYDDG-UHFFFAOYSA-N 0 3 384.488 0.751 20 0 GCADHN CN1CC[C@H](NC(=O)NC[C@](C)(O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000179464417 1197198105 /nfs/dbraw/zinc/19/81/05/1197198105.db2.gz AJABIKWWGVTVRG-NSHGMRRFSA-N 0 3 376.501 0.814 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000475760049 1197210039 /nfs/dbraw/zinc/21/00/39/1197210039.db2.gz RZVWAJYLTZTVBC-RBSFLKMASA-N 0 3 389.518 0.225 20 0 GCADHN CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)C[C@@H]3C2)CCC1 ZINC000986685728 1197217195 /nfs/dbraw/zinc/21/71/95/1197217195.db2.gz VHVWYKLLMLLMTN-TWMKSMIVSA-N 0 3 390.528 0.679 20 0 GCADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC000986695384 1197219176 /nfs/dbraw/zinc/21/91/76/1197219176.db2.gz VOBMNVJWRGAPJB-YALNPMBYSA-N 0 3 382.468 0.796 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C[C@H]1N(C)C ZINC000760208680 1197225007 /nfs/dbraw/zinc/22/50/07/1197225007.db2.gz RAVGDIPGOFGAEO-BZUAXINKSA-N 0 3 375.498 0.611 20 0 GCADHN CC(=O)NC[C@H]1CN(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000666152956 1197226325 /nfs/dbraw/zinc/22/63/25/1197226325.db2.gz LRXXLIULIGSYBX-IBGZPJMESA-N 0 3 389.500 0.840 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(C(N)=O)cc2F)CC1 ZINC000475801660 1197237457 /nfs/dbraw/zinc/23/74/57/1197237457.db2.gz QRRFBCBRTVABGS-UHFFFAOYSA-N 0 3 379.436 0.943 20 0 GCADHN Cc1nc(S(=O)(=O)NCCC(=O)N(CCN(C)C)c2ccccc2)cn1C ZINC000102638567 1197238034 /nfs/dbraw/zinc/23/80/34/1197238034.db2.gz KSWNYNZXSGXTFJ-UHFFFAOYSA-N 0 3 393.513 0.992 20 0 GCADHN CC(C)N(C)CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001059789863 1197257047 /nfs/dbraw/zinc/25/70/47/1197257047.db2.gz BUGFAFGLNQJEKU-VUHPKUFZSA-N 0 3 381.517 0.733 20 0 GCADHN Cc1nc(C)c(CCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(=O)[nH]1 ZINC000103122898 1197263234 /nfs/dbraw/zinc/26/32/34/1197263234.db2.gz SXYKKWDKSBOCIT-UHFFFAOYSA-N 0 3 375.473 0.086 20 0 GCADHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150841 1197264998 /nfs/dbraw/zinc/26/49/98/1197264998.db2.gz RVVBBNQIGIWHHO-INIZCTEOSA-N 0 3 376.505 0.604 20 0 GCADHN NS(=O)(=O)c1cnn(CCC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 ZINC000428553436 1197271337 /nfs/dbraw/zinc/27/13/37/1197271337.db2.gz OWSKQTGFFKWWCG-OAHLLOKOSA-N 0 3 393.469 0.126 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC(NC(C)=O)CC2)c(OC)c1 ZINC000051580011 1197271588 /nfs/dbraw/zinc/27/15/88/1197271588.db2.gz RIAHWBHDJOQXAS-INIZCTEOSA-N 0 3 380.441 0.822 20 0 GCADHN CC(=O)Nc1ccc(CCNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1 ZINC000888157580 1197276321 /nfs/dbraw/zinc/27/63/21/1197276321.db2.gz KFZRMRBERRBYJW-AWEZNQCLSA-N 0 3 375.473 0.949 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)CC(=O)NC)cc2)CC1 ZINC000453967707 1197276739 /nfs/dbraw/zinc/27/67/39/1197276739.db2.gz IDIQTWILWDQHAY-OAHLLOKOSA-N 0 3 389.500 0.403 20 0 GCADHN O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000643470480 1197277072 /nfs/dbraw/zinc/27/70/72/1197277072.db2.gz IQYBBLFJCCAQOU-GOSISDBHSA-N 0 3 399.495 0.157 20 0 GCADHN CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@H]1O ZINC000453973076 1197291770 /nfs/dbraw/zinc/29/17/70/1197291770.db2.gz VPUCGZCHPCPNJA-IAGOWNOFSA-N 0 3 393.509 0.435 20 0 GCADHN C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1nnc2n1CCCCC2 ZINC000888164594 1197291968 /nfs/dbraw/zinc/29/19/68/1197291968.db2.gz PSGVMMRELNLJFE-KGLIPLIRSA-N 0 3 377.493 0.827 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@H]1CN3CCC[C@@H]3CO1)CCO2 ZINC000888167337 1197303055 /nfs/dbraw/zinc/30/30/55/1197303055.db2.gz HWSRBUVQVCYALK-ZRUZRRJWSA-N 0 3 381.473 0.650 20 0 GCADHN COC(=O)C1([C@@]2(O)CCCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)C2)CCC1 ZINC000888203410 1197313425 /nfs/dbraw/zinc/31/34/25/1197313425.db2.gz NFDANTJFJGQCLQ-FOIQADDNSA-N 0 3 395.500 0.093 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000171211093 1197315543 /nfs/dbraw/zinc/31/55/43/1197315543.db2.gz ANAQHYBUOADOSB-UHFFFAOYSA-N 0 3 376.501 0.970 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c2ccccc2O1 ZINC000454087648 1197322960 /nfs/dbraw/zinc/32/29/60/1197322960.db2.gz GSBHPNQSRZGRLR-WMLDXEAASA-N 0 3 388.468 0.468 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)ccc1C ZINC000454094850 1197324143 /nfs/dbraw/zinc/32/41/43/1197324143.db2.gz LITOCANUXUBTHU-OAHLLOKOSA-N 0 3 396.513 0.783 20 0 GCADHN CCc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1S(N)(=O)=O ZINC000454096014 1197324207 /nfs/dbraw/zinc/32/42/07/1197324207.db2.gz LYMOGFQZNPXQKT-HNNXBMFYSA-N 0 3 396.513 0.776 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000454096093 1197324279 /nfs/dbraw/zinc/32/42/79/1197324279.db2.gz MBPKVAIRCNUVSX-ZDUSSCGKSA-N 0 3 375.408 0.681 20 0 GCADHN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000104411370 1197325946 /nfs/dbraw/zinc/32/59/46/1197325946.db2.gz KDVBSIDGZSWSNK-HXUWFJFHSA-N 0 3 398.507 0.726 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000532551768 1197326652 /nfs/dbraw/zinc/32/66/52/1197326652.db2.gz OVRMEWMTTXRGRN-UONOGXRCSA-N 0 3 391.438 0.571 20 0 GCADHN CC[C@@H](NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)C(=O)NC ZINC000454113226 1197328224 /nfs/dbraw/zinc/32/82/24/1197328224.db2.gz VPTSJDLXAABPCT-MRXNPFEDSA-N 0 3 392.525 0.857 20 0 GCADHN C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)C(=O)NCCN3CCC[C@@H](C)C3)O2)[C@H]1C ZINC000897451976 1197333773 /nfs/dbraw/zinc/33/37/73/1197333773.db2.gz QRXSSNINQSMLJK-ZPFYTHJMSA-N 0 3 381.517 0.923 20 0 GCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCc2ncncc2C1 ZINC000897453455 1197333956 /nfs/dbraw/zinc/33/39/56/1197333956.db2.gz LNWHFFPEOAAJEN-UHFFFAOYSA-N 0 3 379.464 0.926 20 0 GCADHN COCc1ccccc1CNC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000429729610 1197335775 /nfs/dbraw/zinc/33/57/75/1197335775.db2.gz ZOKFJWNDLVOHTH-DLBZAZTESA-N 0 3 383.514 0.899 20 0 GCADHN CCN1CC[C@H]1CNC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000897462056 1197337914 /nfs/dbraw/zinc/33/79/14/1197337914.db2.gz DXBYPIMEFDNSLE-IBGZPJMESA-N 0 3 387.528 0.525 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000119293015 1197340048 /nfs/dbraw/zinc/34/00/48/1197340048.db2.gz MRALKZWJKXIMND-CFVMTHIKSA-N 0 3 384.502 0.901 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000119293015 1197340050 /nfs/dbraw/zinc/34/00/50/1197340050.db2.gz MRALKZWJKXIMND-CFVMTHIKSA-N 0 3 384.502 0.901 20 0 GCADHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000120479103 1197342123 /nfs/dbraw/zinc/34/21/23/1197342123.db2.gz TYKNZGWFBLFAOP-CABCVRRESA-N 0 3 375.477 0.369 20 0 GCADHN CCS(=O)(=O)N[C@H](C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000666648035 1197342558 /nfs/dbraw/zinc/34/25/58/1197342558.db2.gz UHUFKSWSQDIFIC-CYBMUJFWSA-N 0 3 396.513 0.650 20 0 GCADHN C[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)CN1CCN(C)CC1 ZINC000332920385 1197346754 /nfs/dbraw/zinc/34/67/54/1197346754.db2.gz AXTNITQRGATRHK-ROUUACIJSA-N 0 3 395.548 0.150 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000332967193 1197348592 /nfs/dbraw/zinc/34/85/92/1197348592.db2.gz PGBYKEHZRWDEGR-GJZGRUSLSA-N 0 3 379.505 0.334 20 0 GCADHN CCc1nnc(N2CCO[C@@H](COC)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001709163223 1197352921 /nfs/dbraw/zinc/35/29/21/1197352921.db2.gz VIYLEDVTKMEMMO-DLBZAZTESA-N 0 3 380.537 0.718 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000729618519 1197353729 /nfs/dbraw/zinc/35/37/29/1197353729.db2.gz CKRRGWVEVPYZPM-DLBZAZTESA-N 0 3 379.505 0.783 20 0 GCADHN CCOCCN(Cc1ccc(C(=O)OC)o1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000536537280 1197355374 /nfs/dbraw/zinc/35/53/74/1197355374.db2.gz FLWZOOPZIFRNMF-INIZCTEOSA-N 0 3 379.457 0.821 20 0 GCADHN CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cc2)CC1 ZINC000536539874 1197355924 /nfs/dbraw/zinc/35/59/24/1197355924.db2.gz RVZMUFNXSGMRPQ-FQEVSTJZSA-N 0 3 399.539 0.722 20 0 GCADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001709132054 1197361171 /nfs/dbraw/zinc/36/11/71/1197361171.db2.gz WYDQACCEKIKQHH-OXQOHEQNSA-N 0 3 390.532 0.744 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)n(C)c1C ZINC000897475156 1197365841 /nfs/dbraw/zinc/36/58/41/1197365841.db2.gz LXKVLLNMDJSATO-GOSISDBHSA-N 0 3 396.513 0.290 20 0 GCADHN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)C(=O)NC[C@@]3(N(C)C)CCSC3)O2)[C@H]1C ZINC000897475086 1197366022 /nfs/dbraw/zinc/36/60/22/1197366022.db2.gz KDLBKAFXEKVBTO-IJCKYZCQSA-N 0 3 399.557 0.629 20 0 GCADHN CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)cn1)N(C)C ZINC001719919121 1197367145 /nfs/dbraw/zinc/36/71/45/1197367145.db2.gz MDMNYCXRJVWQKA-LGWLGOQQSA-N 0 3 375.473 0.228 20 0 GCADHN CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)N1C(C)C)C2 ZINC001719924983 1197370879 /nfs/dbraw/zinc/37/08/79/1197370879.db2.gz UUJATTGTUROUNE-NCOADZHNSA-N 0 3 378.517 0.976 20 0 GCADHN CN1C[C@@H](C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CC1=O ZINC000131372388 1197376576 /nfs/dbraw/zinc/37/65/76/1197376576.db2.gz WUSBYRPLIPVKLA-MSOLQXFVSA-N 0 3 385.512 0.921 20 0 GCADHN CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C(N)=O)C2 ZINC001719936060 1197377243 /nfs/dbraw/zinc/37/72/43/1197377243.db2.gz MINSTQFMNYQVAJ-WCVJEAGWSA-N 0 3 379.505 0.508 20 0 GCADHN CN(C)c1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000359875326 1197379149 /nfs/dbraw/zinc/37/91/49/1197379149.db2.gz SDBHEXKRQPZPEE-QGZVFWFLSA-N 0 3 387.484 0.456 20 0 GCADHN C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000359958117 1197379703 /nfs/dbraw/zinc/37/97/03/1197379703.db2.gz JFOJZWLSRUPQQR-QZTJIDSGSA-N 0 3 381.542 0.845 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000521474449 1197383245 /nfs/dbraw/zinc/38/32/45/1197383245.db2.gz ZYGKDMOLPXZQKV-IXDOHACOSA-N 0 3 378.517 0.836 20 0 GCADHN CN(Cc1ccccc1)C[C@@H](O)Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O ZINC000151876869 1197386030 /nfs/dbraw/zinc/38/60/30/1197386030.db2.gz NGGBLXFJPCCMHG-WBVHZDCISA-N 0 3 377.416 0.951 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2cccc(I)c2)no1 ZINC001211955971 1197386354 /nfs/dbraw/zinc/38/63/54/1197386354.db2.gz CZDHJCOSUJFMNE-VIFPVBQESA-N 0 3 388.165 0.450 20 0 GCADHN Cc1nccn1CC(=O)c1cccc(-c2noc([C@H](CO)NC(=O)CN)n2)c1 ZINC001211958648 1197386790 /nfs/dbraw/zinc/38/67/90/1197386790.db2.gz BLZUBDARQMRZPW-AWEZNQCLSA-N 0 3 384.396 0.233 20 0 GCADHN COc1c(Br)cc(F)cc1-c1noc([C@H](CO)NC(=O)CN)n1 ZINC001211958948 1197386924 /nfs/dbraw/zinc/38/69/24/1197386924.db2.gz RSEVRDGTWUXZJM-VIFPVBQESA-N 0 3 389.181 0.755 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 ZINC000614845105 1197387178 /nfs/dbraw/zinc/38/71/78/1197387178.db2.gz BOAGLXUOGKUVCP-ZDUSSCGKSA-N 0 3 378.454 0.682 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2ccn3c(Br)cnc3c2)no1 ZINC001211958927 1197387256 /nfs/dbraw/zinc/38/72/56/1197387256.db2.gz QQCJLLJLSIOHBX-QMMMGPOBSA-N 0 3 381.190 0.255 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 ZINC000614845103 1197387341 /nfs/dbraw/zinc/38/73/41/1197387341.db2.gz BOAGLXUOGKUVCP-CYBMUJFWSA-N 0 3 378.454 0.682 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2ccc([C@H]3CCc4cncn43)c(F)c2)no1 ZINC001211958832 1197387479 /nfs/dbraw/zinc/38/74/79/1197387479.db2.gz LNIVJSHXMJJIJK-LSDHHAIUSA-N 0 3 386.387 0.716 20 0 GCADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614851924 1197388180 /nfs/dbraw/zinc/38/81/80/1197388180.db2.gz MLFLZDQZTJCBLY-LBELIVKGSA-N 0 3 391.390 0.011 20 0 GCADHN NC(=O)c1cc(CNC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)on1 ZINC001670849506 1197388494 /nfs/dbraw/zinc/38/84/94/1197388494.db2.gz WNFATJVDMLPHFS-UHFFFAOYSA-N 0 3 387.440 0.600 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000614851728 1197388790 /nfs/dbraw/zinc/38/87/90/1197388790.db2.gz BNMIZRCSUZXCLY-TZMCWYRMSA-N 0 3 382.848 0.584 20 0 GCADHN COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H](CO)CN(C)C ZINC000614859092 1197390406 /nfs/dbraw/zinc/39/04/06/1197390406.db2.gz NPGDSNAVLMNQIM-CYBMUJFWSA-N 0 3 379.486 0.715 20 0 GCADHN COc1cccc(-n2c(C)nnc2SCC(=O)N[C@@H](CO)CN(C)C)c1 ZINC000614857464 1197390678 /nfs/dbraw/zinc/39/06/78/1197390678.db2.gz BPKIEUXMTIJSJI-CYBMUJFWSA-N 0 3 379.486 0.715 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000136767554 1197390732 /nfs/dbraw/zinc/39/07/32/1197390732.db2.gz BODDDVJIDZDTHL-QGZVFWFLSA-N 0 3 397.483 0.715 20 0 GCADHN CCNC(=O)CNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000195004737 1197400303 /nfs/dbraw/zinc/40/03/03/1197400303.db2.gz NZWAUMDBAHGYEN-KRWDZBQOSA-N 0 3 388.516 0.761 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCOC2(CCC2)C1)CN1CCN(C)CC1 ZINC000897493411 1197402121 /nfs/dbraw/zinc/40/21/21/1197402121.db2.gz AJOLUDRLPDBSPC-PXNSSMCTSA-N 0 3 394.560 0.842 20 0 GCADHN COc1ccc(NC(=O)C[C@H]2CNCCO2)cc1S(=O)(=O)N1CCOCC1 ZINC000429740843 1197404533 /nfs/dbraw/zinc/40/45/33/1197404533.db2.gz VJCNMTIDPHFUMY-AWEZNQCLSA-N 0 3 399.469 0.033 20 0 GCADHN COc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1S(=O)(=O)N1CCOCC1 ZINC000429740845 1197404620 /nfs/dbraw/zinc/40/46/20/1197404620.db2.gz VJCNMTIDPHFUMY-CQSZACIVSA-N 0 3 399.469 0.033 20 0 GCADHN O=C(C[C@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000429733634 1197405033 /nfs/dbraw/zinc/40/50/33/1197405033.db2.gz DUNDHOLHYANVOA-KRWDZBQOSA-N 0 3 393.509 0.387 20 0 GCADHN COC(=O)Cc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000532774343 1197411590 /nfs/dbraw/zinc/41/15/90/1197411590.db2.gz WODJEHRLCWAVED-MRXNPFEDSA-N 0 3 384.498 0.773 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000454639494 1197423739 /nfs/dbraw/zinc/42/37/39/1197423739.db2.gz CDRREYHLDRQRAC-XHSDSOJGSA-N 0 3 379.505 0.382 20 0 GCADHN CN(C)C(=O)N[C@@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000454642092 1197424506 /nfs/dbraw/zinc/42/45/06/1197424506.db2.gz FWSFXCCWHOZUMD-CVEARBPZSA-N 0 3 396.536 0.374 20 0 GCADHN CC(C)n1cc([C@]2(O)CCCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)C2)nn1 ZINC000375723231 1197426219 /nfs/dbraw/zinc/42/62/19/1197426219.db2.gz OPIDRPHWXFIRLA-KXBFYZLASA-N 0 3 392.504 0.079 20 0 GCADHN NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000532992858 1197426711 /nfs/dbraw/zinc/42/67/11/1197426711.db2.gz KNZRPLSYYLXRAY-GUYCJALGSA-N 0 3 399.538 0.971 20 0 GCADHN NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000532992859 1197426828 /nfs/dbraw/zinc/42/68/28/1197426828.db2.gz KNZRPLSYYLXRAY-SUMWQHHRSA-N 0 3 399.538 0.971 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)CCCN1C ZINC000454782493 1197431935 /nfs/dbraw/zinc/43/19/35/1197431935.db2.gz KMUIHKLNUJECDY-PBHICJAKSA-N 0 3 397.545 0.894 20 0 GCADHN Cn1cnc2cc(S(=O)(=O)NCCCN3CCC[C@H](C(N)=O)C3)ccc21 ZINC000533308679 1197443156 /nfs/dbraw/zinc/44/31/56/1197443156.db2.gz UNGSZDNSEZTKEU-ZDUSSCGKSA-N 0 3 379.486 0.439 20 0 GCADHN CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000897512887 1197445575 /nfs/dbraw/zinc/44/55/75/1197445575.db2.gz CJWOEQFVTQXVKJ-FGTMMUONSA-N 0 3 377.485 0.538 20 0 GCADHN COC[C@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C)[C@@H]1CCCOC1 ZINC000897512811 1197445638 /nfs/dbraw/zinc/44/56/38/1197445638.db2.gz BBORXPHRSXDVHO-QYZOEREBSA-N 0 3 391.512 0.833 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000246122267 1197449184 /nfs/dbraw/zinc/44/91/84/1197449184.db2.gz AATNUYSRWREMRZ-IRXDYDNUSA-N 0 3 380.514 0.683 20 0 GCADHN CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C1CCOCC1 ZINC000533447727 1197451485 /nfs/dbraw/zinc/45/14/85/1197451485.db2.gz RNLVWMSRQOKBHK-UHFFFAOYSA-N 0 3 375.469 0.886 20 0 GCADHN CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCOCC1 ZINC000533447256 1197452921 /nfs/dbraw/zinc/45/29/21/1197452921.db2.gz XHGSJQZIFPFLBS-UHFFFAOYSA-N 0 3 395.525 0.771 20 0 GCADHN Cn1cc([C@H]2CN(C(=O)NC[C@@H]3N(C)CCCC3(C)C)C[C@@H]2C(N)=O)cn1 ZINC000375775916 1197458295 /nfs/dbraw/zinc/45/82/95/1197458295.db2.gz PKUGTUZUJKNKFW-PMPSAXMXSA-N 0 3 376.505 0.751 20 0 GCADHN COc1cc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)ccc1Cl ZINC001211998005 1197465229 /nfs/dbraw/zinc/46/52/29/1197465229.db2.gz AGMGSXJKCFBRFN-GZMMTYOYSA-N 0 3 381.820 0.649 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ncccc2Br)no1)C(N)=O ZINC001211998088 1197465326 /nfs/dbraw/zinc/46/53/26/1197465326.db2.gz BTUMAPGQHPKASJ-IONNQARKSA-N 0 3 397.233 0.144 20 0 GCADHN CC(=O)c1ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c(F)c1 ZINC001211998198 1197465386 /nfs/dbraw/zinc/46/53/86/1197465386.db2.gz HSYGMFNFTDIVNF-ISVAXAHUSA-N 0 3 377.376 0.328 20 0 GCADHN O=C(CN1CCC[C@H](CN2CCOCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000069803499 1197468878 /nfs/dbraw/zinc/46/88/78/1197468878.db2.gz XMPVDUWOFPZSKN-QGZVFWFLSA-N 0 3 378.517 0.111 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cccc(-c3ccccn3)n2)no1)C(N)=O ZINC001212000480 1197470031 /nfs/dbraw/zinc/47/00/31/1197470031.db2.gz ITPQBLSRNUBTMQ-SMDDNHRTSA-N 0 3 395.423 0.444 20 0 GCADHN C[C@@H](CNC(=O)N1CCCC[C@@H]1CN1CCOCC1)CN1CCN(C)CC1 ZINC000074657093 1197471883 /nfs/dbraw/zinc/47/18/83/1197471883.db2.gz NQPYTKIIOFXEJZ-RBUKOAKNSA-N 0 3 381.565 0.766 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000246820686 1197474006 /nfs/dbraw/zinc/47/40/06/1197474006.db2.gz SNSHXWMBDWAVJG-OLZOCXBDSA-N 0 3 389.435 0.977 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccco1 ZINC000246932674 1197474979 /nfs/dbraw/zinc/47/49/79/1197474979.db2.gz GPIFSTKWMZOHRI-JKSUJKDBSA-N 0 3 377.489 0.830 20 0 GCADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)c1nc(-c2ccncc2Br)no1 ZINC001212022695 1197475126 /nfs/dbraw/zinc/47/51/26/1197475126.db2.gz BOFJATAHTSXHGG-RCOVLWMOSA-N 0 3 383.206 0.274 20 0 GCADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)c1nc(-c2ccc(C3OCCO3)cc2)no1 ZINC001212022813 1197475146 /nfs/dbraw/zinc/47/51/46/1197475146.db2.gz FXJVGZNPVJRPFZ-CABZTGNLSA-N 0 3 375.385 0.162 20 0 GCADHN COc1cc(F)c(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)cc1OC ZINC001212023069 1197475489 /nfs/dbraw/zinc/47/54/89/1197475489.db2.gz PAUBZQQGSPCMCI-XVKPBYJWSA-N 0 3 381.364 0.273 20 0 GCADHN COc1cc(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)cc(Cl)c1OC ZINC001212022982 1197475767 /nfs/dbraw/zinc/47/57/67/1197475767.db2.gz LPUMAFGVKMQMLX-XVKPBYJWSA-N 0 3 397.819 0.787 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000248840673 1197480267 /nfs/dbraw/zinc/48/02/67/1197480267.db2.gz NSGOJHJZLUOVPU-RHSMWYFYSA-N 0 3 391.497 0.335 20 0 GCADHN Cc1ccc(CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001482753755 1197487786 /nfs/dbraw/zinc/48/77/86/1197487786.db2.gz XMOZQKOZGWQZBF-SGTQZHETSA-N 0 3 387.480 0.101 20 0 GCADHN Cc1ccsc1CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001482769535 1197489052 /nfs/dbraw/zinc/48/90/52/1197489052.db2.gz HHRIWAXJOFPYCT-YJNKXOJESA-N 0 3 381.498 0.307 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)CC1 ZINC000897529171 1197492492 /nfs/dbraw/zinc/49/24/92/1197492492.db2.gz HDMWHLZBDHPJPD-ALKREAHSSA-N 0 3 383.489 0.056 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)CC1 ZINC000897529173 1197492555 /nfs/dbraw/zinc/49/25/55/1197492555.db2.gz HDMWHLZBDHPJPD-SIXWZSSISA-N 0 3 383.489 0.056 20 0 GCADHN CCN(CCCn1c(C)nnc1N1CCCC(n2cncn2)C1)S(C)(=O)=O ZINC001746308583 1197495041 /nfs/dbraw/zinc/49/50/41/1197495041.db2.gz JPSRURGMJGBUJU-HNNXBMFYSA-N 0 3 396.521 0.691 20 0 GCADHN CCC1(CC)NC(=O)N(CC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1=O ZINC000116621795 1197508944 /nfs/dbraw/zinc/50/89/44/1197508944.db2.gz GJPQMXLBSQQTEX-AWEZNQCLSA-N 0 3 395.504 0.156 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)o1 ZINC000261853465 1197516367 /nfs/dbraw/zinc/51/63/67/1197516367.db2.gz RTPFOFJGEWVLNS-LBPRGKRZSA-N 0 3 399.391 0.489 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCC(CNC(=O)[C@@H](C)N)CC2)cc1OC ZINC000261885139 1197517388 /nfs/dbraw/zinc/51/73/88/1197517388.db2.gz SIXSDWRINIMNHU-GFCCVEGCSA-N 0 3 385.486 0.568 20 0 GCADHN O=C(CCN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)N1CCNCC1 ZINC000262014557 1197522868 /nfs/dbraw/zinc/52/28/68/1197522868.db2.gz FRZKNJHANDFXLP-INIZCTEOSA-N 0 3 398.504 0.390 20 0 GCADHN O=C(CCN1CCN(C(=O)COc2ccc(F)cc2)CC1)N1CCNCC1 ZINC000262150583 1197526301 /nfs/dbraw/zinc/52/63/01/1197526301.db2.gz PDYKYINMKQPVAP-UHFFFAOYSA-N 0 3 378.448 0.171 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC000262177965 1197527043 /nfs/dbraw/zinc/52/70/43/1197527043.db2.gz QUZZZZMHXOQCGP-INIZCTEOSA-N 0 3 398.529 0.943 20 0 GCADHN O=C(CCN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)N1CCNCC1 ZINC000262202219 1197528627 /nfs/dbraw/zinc/52/86/27/1197528627.db2.gz SJJGVJCMYITOJN-IBGZPJMESA-N 0 3 385.512 0.231 20 0 GCADHN CC[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)c1ccccc1OCC(=O)N(C)C ZINC000262202195 1197528722 /nfs/dbraw/zinc/52/87/22/1197528722.db2.gz SIDMWZGYLUUMOX-KXBFYZLASA-N 0 3 392.500 0.820 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000428583300 1197545982 /nfs/dbraw/zinc/54/59/82/1197545982.db2.gz RRMFIOCGFLCXTF-HNNXBMFYSA-N 0 3 385.534 0.639 20 0 GCADHN C[C@@H](NC(=O)CCNC(=O)c1cccs1)C(=O)NCCN1CCCCC1 ZINC000508694526 1197550175 /nfs/dbraw/zinc/55/01/75/1197550175.db2.gz MWIFQWNITIMRQS-CQSZACIVSA-N 0 3 380.514 0.975 20 0 GCADHN C[C@@H](NC(=O)[C@@H](C)n1nnnc1C(C)(C)C)C(=O)NCCN1CCCCC1 ZINC000508704217 1197554199 /nfs/dbraw/zinc/55/41/99/1197554199.db2.gz QKBJKXWFYKRHMC-ZIAGYGMSSA-N 0 3 379.509 0.638 20 0 GCADHN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)CC1 ZINC000533780451 1197562761 /nfs/dbraw/zinc/56/27/61/1197562761.db2.gz FVPALGXOZCXNRU-UHFFFAOYSA-N 0 3 384.502 0.410 20 0 GCADHN COC(=O)c1cccc(NC(=O)C[C@@H](C)NCC(=O)N2CCN(C)CC2)c1 ZINC000611963291 1197568176 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GCADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000265727042 1199053629 /nfs/dbraw/zinc/05/36/29/1199053629.db2.gz AKYTZGZRZNAUSJ-UHFFFAOYSA-N 0 3 391.468 0.958 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)ccc1F ZINC000108619061 1199060990 /nfs/dbraw/zinc/06/09/90/1199060990.db2.gz OOUCBSWDAWJYCO-AWEZNQCLSA-N 0 3 387.419 0.649 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000265730950 1199071645 /nfs/dbraw/zinc/07/16/45/1199071645.db2.gz SHHNFEUDBWDWBO-MOPGFXCFSA-N 0 3 376.501 0.907 20 0 GCADHN CC(C)c1nnc2n1C[C@@H](NC(=O)C(=O)N1CC[C@@H](N3CCCCC3)C1)CC2 ZINC000672083911 1199075473 /nfs/dbraw/zinc/07/54/73/1199075473.db2.gz DZFBETIGLDSLGB-JKSUJKDBSA-N 0 3 388.516 0.919 20 0 GCADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N[C@H]2CCN(CCOC)C2)c1 ZINC000265733248 1199085887 /nfs/dbraw/zinc/08/58/87/1199085887.db2.gz KYQLYRDYYTUKMI-ZFWWWQNUSA-N 0 3 384.502 0.676 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cn(C)c1=O ZINC000542877180 1199085911 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389.500 0.407 20 0 GCADHN CCO[C@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672110759 1199108546 /nfs/dbraw/zinc/10/85/46/1199108546.db2.gz AZFNFAZAFIWZKE-JKSUJKDBSA-N 0 3 382.505 0.073 20 0 GCADHN O=C(Cn1ccc(=O)[nH]c1=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000265745326 1199109583 /nfs/dbraw/zinc/10/95/83/1199109583.db2.gz HPAAVFCAUPKINB-UHFFFAOYSA-N 0 3 390.415 0.748 20 0 GCADHN O=C(CN1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1)N1CCCC1 ZINC000624787534 1199109817 /nfs/dbraw/zinc/10/98/17/1199109817.db2.gz ZKZXLNVJTSNZRR-GOSISDBHSA-N 0 3 377.533 0.953 20 0 GCADHN COC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000265752546 1199122041 /nfs/dbraw/zinc/12/20/41/1199122041.db2.gz FULRCMUVDOYAPZ-GOSISDBHSA-N 0 3 395.525 0.629 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000265764901 1199140061 /nfs/dbraw/zinc/14/00/61/1199140061.db2.gz RNMPGRSSAAPXJV-ZIAGYGMSSA-N 0 3 381.429 0.175 20 0 GCADHN C[C@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000110966643 1199145534 /nfs/dbraw/zinc/14/55/34/1199145534.db2.gz RQJLAGWWASLQSI-CQSZACIVSA-N 0 3 379.486 0.335 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)N3CCCCC3)CC2)n1 ZINC000672159046 1199146497 /nfs/dbraw/zinc/14/64/97/1199146497.db2.gz KWBWQXZGLRRDEY-UHFFFAOYSA-N 0 3 392.508 0.824 20 0 GCADHN Cc1ccccc1OCCN[C@H](CO)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001486020093 1199147803 /nfs/dbraw/zinc/14/78/03/1199147803.db2.gz SNOCXFWXMHLHAL-LSTDLKDCSA-N 0 3 378.469 0.492 20 0 GCADHN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN[C@@H](CO)C1CCCCC1 ZINC000542911957 1199153178 /nfs/dbraw/zinc/15/31/78/1199153178.db2.gz QWLYCYYIHCRYCZ-INIZCTEOSA-N 0 3 381.498 0.754 20 0 GCADHN CC1(C)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1NCC(=O)NCC(F)(F)F ZINC001486239225 1199156510 /nfs/dbraw/zinc/15/65/10/1199156510.db2.gz YXVYOGIDUHCRGN-WZUGGRCDSA-N 0 3 389.418 0.915 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672204488 1199159411 /nfs/dbraw/zinc/15/94/11/1199159411.db2.gz 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C[C@H](c1nccs1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672311923 1199203090 /nfs/dbraw/zinc/20/30/90/1199203090.db2.gz VYJGDLXHNXKPHL-GDBMZVCRSA-N 0 3 391.541 0.949 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc2c1OCCO2)CN1CCN(C)CC1 ZINC000265789223 1199204127 /nfs/dbraw/zinc/20/41/27/1199204127.db2.gz IHONUSGXDRBPHI-CQSZACIVSA-N 0 3 376.457 0.396 20 0 GCADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672311626 1199205023 /nfs/dbraw/zinc/20/50/23/1199205023.db2.gz MFCRYPYFMKKKKL-IRXDYDNUSA-N 0 3 378.517 0.598 20 0 GCADHN COCCN(CCN(C)C)C(=O)CCc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC000172779118 1199207514 /nfs/dbraw/zinc/20/75/14/1199207514.db2.gz ZTPDLYDZCSTMGT-UHFFFAOYSA-N 0 3 377.489 0.848 20 0 GCADHN CCOC(=O)CCN(CC(=O)N1CCN(c2cnccn2)CC1)CC1CC1 ZINC000064568900 1199213243 /nfs/dbraw/zinc/21/32/43/1199213243.db2.gz DOFKHJCCSFWVBV-UHFFFAOYSA-N 0 3 375.473 0.790 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 ZINC000672370074 1199223023 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ZINC000672547413 1199263217 /nfs/dbraw/zinc/26/32/17/1199263217.db2.gz HHMASZYKPZJWRD-UHFFFAOYSA-N 0 3 386.500 0.332 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC000921992433 1199263958 /nfs/dbraw/zinc/26/39/58/1199263958.db2.gz VUGUJTJHXBNDNP-HYVNUMGLSA-N 0 3 380.514 0.827 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C ZINC001128285613 1199280316 /nfs/dbraw/zinc/28/03/16/1199280316.db2.gz DWKMIJPQSGZXAG-XHSDSOJGSA-N 0 3 384.521 0.811 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000672625788 1199283969 /nfs/dbraw/zinc/28/39/69/1199283969.db2.gz XFKPZBNBGKOACX-NEPJUHHUSA-N 0 3 378.395 0.256 20 0 GCADHN Cc1cc(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)ncn1 ZINC000672634042 1199286438 /nfs/dbraw/zinc/28/64/38/1199286438.db2.gz WSFKMLYBQMKXSH-LJQANCHMSA-N 0 3 397.479 0.809 20 0 GCADHN CC(C)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1=O ZINC000672657411 1199311122 /nfs/dbraw/zinc/31/11/22/1199311122.db2.gz 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CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnnn1)N1CCCCC1 ZINC001002909821 1199340630 /nfs/dbraw/zinc/34/06/30/1199340630.db2.gz MDUPDROUVXWMLF-KFWWJZLASA-N 0 3 375.477 0.186 20 0 GCADHN CC1(C)CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000672844724 1199348157 /nfs/dbraw/zinc/34/81/57/1199348157.db2.gz RNBPLAZESDGBDN-MRXNPFEDSA-N 0 3 378.517 0.838 20 0 GCADHN COc1ccc([C@H](CN(C)C)NC(=O)NCC(C)(C)NS(C)(=O)=O)cc1 ZINC000672851717 1199351274 /nfs/dbraw/zinc/35/12/74/1199351274.db2.gz YEVQJPVXUMCDTA-HNNXBMFYSA-N 0 3 386.518 0.925 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000065939616 1199368735 /nfs/dbraw/zinc/36/87/35/1199368735.db2.gz HLUJVVUJOAPUGJ-UHFFFAOYSA-N 0 3 397.476 0.428 20 0 GCADHN COc1c(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cccc1C(N)=O ZINC000543034466 1199389808 /nfs/dbraw/zinc/38/98/08/1199389808.db2.gz PHMGZQPVGNTNPL-QWHCGFSZSA-N 0 3 376.457 0.969 20 0 GCADHN COc1ccc([C@@H](CN(C)C)NC(=O)NC2CC(NS(C)(=O)=O)C2)cc1 ZINC000673061466 1199407555 /nfs/dbraw/zinc/40/75/55/1199407555.db2.gz HOYAKULUNILLMK-ZBCRRDGASA-N 0 3 384.502 0.677 20 0 GCADHN CCOCCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001272978524 1199416183 /nfs/dbraw/zinc/41/61/83/1199416183.db2.gz CWPPGRURYPZYPZ-MJQMVNBJSA-N 0 3 381.517 0.925 20 0 GCADHN O=C(NC[C@H]1COCCN1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000627339129 1199421486 /nfs/dbraw/zinc/42/14/86/1199421486.db2.gz ZTQSVDRFWFDAPA-KRWDZBQOSA-N 0 3 378.448 0.011 20 0 GCADHN O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000114739794 1199422541 /nfs/dbraw/zinc/42/25/41/1199422541.db2.gz PPZLGUSOQWRIJP-UHFFFAOYSA-N 0 3 377.470 0.492 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000114739794 1199422543 /nfs/dbraw/zinc/42/25/43/1199422543.db2.gz PPZLGUSOQWRIJP-UHFFFAOYSA-N 0 3 377.470 0.492 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1OC ZINC000265818921 1199432135 /nfs/dbraw/zinc/43/21/35/1199432135.db2.gz MLISMOLMUVVAIY-AWEZNQCLSA-N 0 3 378.473 0.642 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000066697147 1199435516 /nfs/dbraw/zinc/43/55/16/1199435516.db2.gz KUMFVHAJZRDWDX-UHFFFAOYSA-N 0 3 395.510 0.620 20 0 GCADHN CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001272981975 1199451822 /nfs/dbraw/zinc/45/18/22/1199451822.db2.gz KVBOAZPJWRLFOK-JALIKCBVSA-N 0 3 381.502 0.206 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CN(C)CCO1 ZINC000673174331 1199464004 /nfs/dbraw/zinc/46/40/04/1199464004.db2.gz FHRXMQNPAUFOBB-NEPXVJNWSA-N 0 3 388.512 0.458 20 0 GCADHN CC(C)[C@H](CNC(=O)NC[C@H](C(C)C)N1CCOCC1)N1CCN(C)CC1 ZINC000079100279 1199476738 /nfs/dbraw/zinc/47/67/38/1199476738.db2.gz CLLASLXTAYHNNR-RBUKOAKNSA-N 0 3 383.581 0.914 20 0 GCADHN CC(C)[C@H](CNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)N1CCOCC1 ZINC000079100267 1199476853 /nfs/dbraw/zinc/47/68/53/1199476853.db2.gz CLLASLXTAYHNNR-OALUTQOASA-N 0 3 383.581 0.914 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000466132168 1199481479 /nfs/dbraw/zinc/48/14/79/1199481479.db2.gz BRSOSBXKUZRSGC-OKZBNKHCSA-N 0 3 397.564 0.443 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C(C)(C)C)n1)C2 ZINC001003301569 1199487173 /nfs/dbraw/zinc/48/71/73/1199487173.db2.gz MJODAMJXMWKUSG-YIYPIFLZSA-N 0 3 375.477 0.384 20 0 GCADHN CCOC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000265824645 1199488105 /nfs/dbraw/zinc/48/81/05/1199488105.db2.gz NKVMUJUBWFQFQP-OAHLLOKOSA-N 0 3 390.484 0.802 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](CN2CCC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001003340105 1199499506 /nfs/dbraw/zinc/49/95/06/1199499506.db2.gz AWXAGTGZBVMQNR-ZIVXASGVSA-N 0 3 397.541 0.272 20 0 GCADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)[nH]1 ZINC001003356448 1199506832 /nfs/dbraw/zinc/50/68/32/1199506832.db2.gz QOBNMXHNJWJXTJ-VDERGJSUSA-N 0 3 375.473 0.862 20 0 GCADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n(C)o1 ZINC001003357461 1199507602 /nfs/dbraw/zinc/50/76/02/1199507602.db2.gz VPXZBQIOWNDPFD-KBXIAJHMSA-N 0 3 376.457 0.714 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1)N1CCCCC1=O ZINC001003360832 1199510384 /nfs/dbraw/zinc/51/03/84/1199510384.db2.gz VWKLCBZZJZWBJB-HZMVEIRTSA-N 0 3 376.501 0.731 20 0 GCADHN CCn1c(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)nc2ccccc21 ZINC000785463769 1199512167 /nfs/dbraw/zinc/51/21/67/1199512167.db2.gz UXDRWUNRCKAELB-GJZGRUSLSA-N 0 3 385.468 0.652 20 0 GCADHN CCn1c(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)nc2ccccc21 ZINC000785463770 1199512210 /nfs/dbraw/zinc/51/22/10/1199512210.db2.gz UXDRWUNRCKAELB-HUUCEWRRSA-N 0 3 385.468 0.652 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC(=O)N(C)C2)C3)CCC1 ZINC001003381390 1199516455 /nfs/dbraw/zinc/51/64/55/1199516455.db2.gz FZDKPJOJDKEKQN-JJXSEGSLSA-N 0 3 376.501 0.587 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000673285536 1199521576 /nfs/dbraw/zinc/52/15/76/1199521576.db2.gz QVLJZUOXHAWRQW-LJQANCHMSA-N 0 3 387.528 0.385 20 0 GCADHN C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000673292964 1199522715 /nfs/dbraw/zinc/52/27/15/1199522715.db2.gz HNPXYPQAZNRLEI-INIZCTEOSA-N 0 3 378.517 0.886 20 0 GCADHN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000673306597 1199530908 /nfs/dbraw/zinc/53/09/08/1199530908.db2.gz VISGTMOCNCFUGQ-SJORKVTESA-N 0 3 376.501 0.590 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000673326296 1199540520 /nfs/dbraw/zinc/54/05/20/1199540520.db2.gz VGNQEMUYZAHVHY-JFRXWTBNSA-N 0 3 388.512 0.601 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2)N(C)C ZINC001003536840 1199583342 /nfs/dbraw/zinc/58/33/42/1199583342.db2.gz JYSKGMWXNWPIKK-NYTXWWLZSA-N 0 3 377.489 0.172 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2)N(C)C ZINC001003536839 1199583654 /nfs/dbraw/zinc/58/36/54/1199583654.db2.gz JYSKGMWXNWPIKK-HGTKMLMNSA-N 0 3 377.489 0.172 20 0 GCADHN CCn1ncnc1CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000673406626 1199599314 /nfs/dbraw/zinc/59/93/14/1199599314.db2.gz YPWUZYGTLTWNFC-UHFFFAOYSA-N 0 3 394.426 0.783 20 0 GCADHN CNC(=O)c1cccc(NC(=O)[C@@H](C)N[C@H]2CCc3nc(COC)nn3C2)c1 ZINC000466300353 1199609133 /nfs/dbraw/zinc/60/91/33/1199609133.db2.gz UYJPGPMBLKKZMF-DOMZBBRYSA-N 0 3 386.456 0.716 20 0 GCADHN COCc1nn(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCN1C ZINC001003650891 1199611667 /nfs/dbraw/zinc/61/16/67/1199611667.db2.gz FYFNMIVUWMHJRS-QIJZBDPFSA-N 0 3 375.473 0.522 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)COCCNC(=O)c1ccccc1 ZINC000543279199 1199625745 /nfs/dbraw/zinc/62/57/45/1199625745.db2.gz YNNVWKLVNZNCIT-UHFFFAOYSA-N 0 3 376.501 0.529 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C3)CC1 ZINC001003706580 1199641447 /nfs/dbraw/zinc/64/14/47/1199641447.db2.gz RSYIYPSZJJJFOA-IEWDOMPSSA-N 0 3 392.544 0.686 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)NCCCN1CCc2ccccc2C1 ZINC000466346629 1199642212 /nfs/dbraw/zinc/64/22/12/1199642212.db2.gz LMGUUWYTRHRZSB-UHFFFAOYSA-N 0 3 383.514 0.507 20 0 GCADHN COC(CNC(=O)CN1CCC(C)CC1)CNC(=O)CN1CCC(C)CC1 ZINC000543330841 1199659146 /nfs/dbraw/zinc/65/91/46/1199659146.db2.gz ZLZVPMGPJRIBHT-UHFFFAOYSA-N 0 3 382.549 0.698 20 0 GCADHN CN(C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCN2C)no1 ZINC001003809651 1199676055 /nfs/dbraw/zinc/67/60/55/1199676055.db2.gz JFVUUVALTDDACY-IRWJRLHMSA-N 0 3 375.473 0.692 20 0 GCADHN CN(C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCN2C)no1 ZINC001003807939 1199676186 /nfs/dbraw/zinc/67/61/86/1199676186.db2.gz JFVUUVALTDDACY-QIJZBDPFSA-N 0 3 375.473 0.692 20 0 GCADHN CCc1c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000158203980 1199716858 /nfs/dbraw/zinc/71/68/58/1199716858.db2.gz IYYWNIZTDMYVGU-NEPJUHHUSA-N 0 3 385.468 0.550 20 0 GCADHN O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673514028 1199722523 /nfs/dbraw/zinc/72/25/23/1199722523.db2.gz UZAOKQJEUBTPPL-KKUMJFAQSA-N 0 3 399.538 0.569 20 0 GCADHN COc1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc(Cl)c1OCC(N)=O ZINC000673510876 1199723716 /nfs/dbraw/zinc/72/37/16/1199723716.db2.gz FQWZHHDUTMYZJN-QWHCGFSZSA-N 0 3 397.859 0.494 20 0 GCADHN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673510760 1199723794 /nfs/dbraw/zinc/72/37/94/1199723794.db2.gz CHKVKDWBVBDMIE-MBOZVWFJSA-N 0 3 384.480 0.883 20 0 GCADHN O=C([C@H](c1ccccc1F)N1CCOCC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673513183 1199724856 /nfs/dbraw/zinc/72/48/56/1199724856.db2.gz LTZLJTNOASGZJW-GJYPPUQNSA-N 0 3 377.460 0.867 20 0 GCADHN O=C([C@H](c1cccc(F)c1)N1CCOCC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673513713 1199727806 /nfs/dbraw/zinc/72/78/06/1199727806.db2.gz JYCCAYFDAIYZRA-QYZOEREBSA-N 0 3 377.460 0.867 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000673519675 1199727818 /nfs/dbraw/zinc/72/78/18/1199727818.db2.gz AAFGVXWWDNOMIP-IRXDYDNUSA-N 0 3 377.485 0.733 20 0 GCADHN CCCCS(=O)(=O)N1CCC(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CC1 ZINC000673514472 1199728410 /nfs/dbraw/zinc/72/84/10/1199728410.db2.gz HAYRJJNPSFHCIX-IRXDYDNUSA-N 0 3 387.546 0.496 20 0 GCADHN Cc1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000673524053 1199731308 /nfs/dbraw/zinc/73/13/08/1199731308.db2.gz NEQCYQDNWWREKE-MRXNPFEDSA-N 0 3 383.514 0.822 20 0 GCADHN COc1ccc(CCN2C[C@@H](C(=O)N[C@@H](CO)CN(C)C)CC2=O)cc1OC ZINC000673523924 1199731311 /nfs/dbraw/zinc/73/13/11/1199731311.db2.gz XFUFRBKGHGIICE-JKSUJKDBSA-N 0 3 393.484 0.134 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)CN(C)C)CC2)cc1 ZINC000673524592 1199732226 /nfs/dbraw/zinc/73/22/26/1199732226.db2.gz ZVPMQFLTSYOGLR-HNNXBMFYSA-N 0 3 399.513 0.135 20 0 GCADHN CC(C)C[C@H](C(=O)N[C@H](CO)CN1CCCC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000673531467 1199733970 /nfs/dbraw/zinc/73/39/70/1199733970.db2.gz PFPFRMPQWWMAAX-WNRNVDISSA-N 0 3 391.512 0.925 20 0 GCADHN COc1cc(C(=O)N[C@@H](CO)CN2CCCC2)cc(Cl)c1OCC(N)=O ZINC000673530011 1199735978 /nfs/dbraw/zinc/73/59/78/1199735978.db2.gz GRAFAKYIRUORND-GFCCVEGCSA-N 0 3 385.848 0.399 20 0 GCADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H](CO)CN2CCCC2)c1 ZINC000673530974 1199736590 /nfs/dbraw/zinc/73/65/90/1199736590.db2.gz NRFIJAHCPDPCGR-INIZCTEOSA-N 0 3 397.497 0.131 20 0 GCADHN COc1ccc(CN2C[C@H](C(=O)N[C@@H](CO)CN3CCCC3)CC2=O)cc1 ZINC000673532537 1199742855 /nfs/dbraw/zinc/74/28/55/1199742855.db2.gz FZTIKBHNEDKUFB-IAGOWNOFSA-N 0 3 375.469 0.617 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCC(=O)N2)C3)C1 ZINC001004008287 1199746747 /nfs/dbraw/zinc/74/67/47/1199746747.db2.gz BZJPUZXBKBTEKB-FPCVCCKLSA-N 0 3 376.501 0.635 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4nncn4c2)C3)C1 ZINC001004016905 1199749972 /nfs/dbraw/zinc/74/99/72/1199749972.db2.gz MOCZHEBBWULYDN-DZUCGIPZSA-N 0 3 382.468 0.933 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc4nccn4c2)C3)C1 ZINC001004104593 1199775325 /nfs/dbraw/zinc/77/53/25/1199775325.db2.gz VWMYQUOEZZVWSE-SVGFKBNWSA-N 0 3 382.468 0.933 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@](C)(O)[C@H](C)c2ccccc2)CC1=O ZINC000673549537 1199781582 /nfs/dbraw/zinc/78/15/82/1199781582.db2.gz MEGKWTZMBKKTBG-BLIXFSHQSA-N 0 3 391.512 0.836 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)CSc2nc(C)cc(C)n2)CC1=O ZINC000673549653 1199784699 /nfs/dbraw/zinc/78/46/99/1199784699.db2.gz HGRFABAATGQLIU-OAHLLOKOSA-N 0 3 395.529 0.481 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)CC1=O ZINC000673549902 1199784762 /nfs/dbraw/zinc/78/47/62/1199784762.db2.gz VJNNAZZPXUCBLG-GFCCVEGCSA-N 0 3 391.394 0.197 20 0 GCADHN CN1CCN(CCCCNC(=O)NC[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000154031733 1199785618 /nfs/dbraw/zinc/78/56/18/1199785618.db2.gz HFTIEFPYJGWGQQ-QGZVFWFLSA-N 0 3 382.480 0.892 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)N2CC[C@H](CS(N)(=O)=O)C2)CCN1Cc1ccccc1 ZINC000922501864 1199804794 /nfs/dbraw/zinc/80/47/94/1199804794.db2.gz MJJZDOATJZBCRE-PVAVHDDUSA-N 0 3 380.514 0.969 20 0 GCADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnc3ccccc3n1)C2 ZINC001004200271 1199809996 /nfs/dbraw/zinc/80/99/96/1199809996.db2.gz VLJYDAJSUBOZSS-VZEFYGNVSA-N 0 3 380.452 0.981 20 0 GCADHN C[C@@H](c1ccccc1)[C@H](NCCC(=O)N1CCN(c2ncccn2)CC1)C(N)=O ZINC000428880820 1199814248 /nfs/dbraw/zinc/81/42/48/1199814248.db2.gz LYSSASCOCXIEIS-LPHOPBHVSA-N 0 3 396.495 0.763 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=COCCO1)[C@@H](C1CC1)N1CCCC1 ZINC001004269763 1199834238 /nfs/dbraw/zinc/83/42/38/1199834238.db2.gz CVUWYBJKEFCLEQ-XLMAVXFVSA-N 0 3 375.469 0.997 20 0 GCADHN Cc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)n[nH]1 ZINC000508985373 1199846906 /nfs/dbraw/zinc/84/69/06/1199846906.db2.gz ZNYNRAQRDYSSGD-ZDUSSCGKSA-N 0 3 386.456 0.804 20 0 GCADHN CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3cccnc3n1)C2)C1CC1 ZINC001004292550 1199850050 /nfs/dbraw/zinc/85/00/50/1199850050.db2.gz GQHUTLCDPJOEPE-JHNDHUHGSA-N 0 3 382.468 0.931 20 0 GCADHN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[C@H](C(=O)N3CCN(C)[C@@H](C)[C@@H]3C)O2)CCN1C ZINC000330266819 1199855213 /nfs/dbraw/zinc/85/52/13/1199855213.db2.gz AHMIWDAZIUWHSM-MULDDASSSA-N 0 3 380.533 0.636 20 0 GCADHN O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn3c(=O)[nH]nc13)C2 ZINC001004330601 1199859346 /nfs/dbraw/zinc/85/93/46/1199859346.db2.gz FRYLYEDGYLDEPJ-BNOWGMLFSA-N 0 3 381.396 0.262 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1 ZINC000125384973 1199881482 /nfs/dbraw/zinc/88/14/82/1199881482.db2.gz DDJMOSLRPDBOIV-MRXNPFEDSA-N 0 3 399.499 0.407 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)NCCN3CCN(C)C(C)(C)C3)C2=O)n(C)n1 ZINC000282396885 1199883730 /nfs/dbraw/zinc/88/37/30/1199883730.db2.gz XBRREZYZKHUSFQ-HNNXBMFYSA-N 0 3 391.520 0.159 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(Cn2cncn2)c1 ZINC000625083782 1199901768 /nfs/dbraw/zinc/90/17/68/1199901768.db2.gz KQZGISLORMOGSW-GOSISDBHSA-N 0 3 384.484 0.999 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3C[C@@H](C)[C@@H](O)C3)CC2)cc1 ZINC000509084998 1199904825 /nfs/dbraw/zinc/90/48/25/1199904825.db2.gz QEJFAGRKZBEFBF-RYRKJORJSA-N 0 3 395.525 0.529 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@]2(C3CCCC3)CCNC2=O)CC1 ZINC000625108745 1199905573 /nfs/dbraw/zinc/90/55/73/1199905573.db2.gz NRMHTPCVMFYTDJ-JXFKEZNVSA-N 0 3 376.501 0.624 20 0 GCADHN COc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C(C)C)N(C)C)nc1 ZINC001004622640 1199906949 /nfs/dbraw/zinc/90/69/49/1199906949.db2.gz PQFPNPNRVRZSRT-OJLVUWQFSA-N 0 3 375.473 0.933 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccn1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001004724327 1199917232 /nfs/dbraw/zinc/91/72/32/1199917232.db2.gz GOHKXJKWLZTWLS-AAHRNQBGSA-N 0 3 382.464 0.807 20 0 GCADHN CC(C)(O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001004727973 1199918384 /nfs/dbraw/zinc/91/83/84/1199918384.db2.gz SREXHKBVXBUKBS-GCXXMLIUSA-N 0 3 377.485 0.259 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(C3CCCC3)CCNC2=O)CC1 ZINC000625257882 1199924715 /nfs/dbraw/zinc/92/47/15/1199924715.db2.gz XOQRNQQBUOUTHL-FQEVSTJZSA-N 0 3 378.517 0.696 20 0 GCADHN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000673783804 1199940591 /nfs/dbraw/zinc/94/05/91/1199940591.db2.gz NJYCSMPSQPCZTB-INIZCTEOSA-N 0 3 399.451 0.277 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000673871873 1199963690 /nfs/dbraw/zinc/96/36/90/1199963690.db2.gz DLTZAEAXTDMBDA-UHFFFAOYSA-N 0 3 393.536 0.363 20 0 GCADHN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000673872351 1199963806 /nfs/dbraw/zinc/96/38/06/1199963806.db2.gz FOCDYTUHXNEWSX-AWEZNQCLSA-N 0 3 376.505 0.605 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2nncn2c1 ZINC001004810059 1199967531 /nfs/dbraw/zinc/96/75/31/1199967531.db2.gz OTOMSHBSPBZSLF-BMFZPTHFSA-N 0 3 379.424 0.865 20 0 GCADHN O=C(NCc1nnnn1C1CC1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000673881094 1199967584 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20 0 GCADHN CC(C)n1ccc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000366584291 1200785076 /nfs/dbraw/zinc/78/50/76/1200785076.db2.gz FDHUKUGZXGWLPH-INIZCTEOSA-N 0 3 376.505 1.029 20 0 GCADHN C[C@@H](NC(=O)COc1ccccc1)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000509314373 1200803567 /nfs/dbraw/zinc/80/35/67/1200803567.db2.gz OVPCTWUJIWNFNR-DLBZAZTESA-N 0 3 376.501 0.712 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)NC(=O)COc1ccccc1 ZINC000509314376 1200803757 /nfs/dbraw/zinc/80/37/57/1200803757.db2.gz OVPCTWUJIWNFNR-IRXDYDNUSA-N 0 3 376.501 0.712 20 0 GCADHN COCCCn1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000522993317 1200859191 /nfs/dbraw/zinc/85/91/91/1200859191.db2.gz GOBVMJLJEGXQDG-UHFFFAOYSA-N 0 3 378.477 0.692 20 0 GCADHN O=C(Nc1ccn(-c2ccncc2)n1)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000603771440 1200863365 /nfs/dbraw/zinc/86/33/65/1200863365.db2.gz KLIYWPJFNKXNLP-KRWDZBQOSA-N 0 3 398.467 0.919 20 0 GCADHN COCCN1CCC(NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000497638283 1200866221 /nfs/dbraw/zinc/86/62/21/1200866221.db2.gz QWPPJCMXTKXNFS-UHFFFAOYSA-N 0 3 390.444 0.609 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCCNc2ccc(-c3ccccc3)nn2)C1 ZINC000443501470 1200866647 /nfs/dbraw/zinc/86/66/47/1200866647.db2.gz MWZOTTUOMMECBD-QGZVFWFLSA-N 0 3 384.484 1.575 20 0 GCADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC[C@]2(O)CN3CCC2CC3)no1 ZINC000552025181 1200889344 /nfs/dbraw/zinc/88/93/44/1200889344.db2.gz CDUBHELDVAFGFR-PXAZEXFGSA-N 0 3 382.486 0.616 20 0 GCADHN COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)n1 ZINC000425941577 1200896237 /nfs/dbraw/zinc/89/62/37/1200896237.db2.gz ZXIHJNPPADCMDG-NVXWUHKLSA-N 0 3 387.484 1.318 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1 ZINC000923269130 1200913968 /nfs/dbraw/zinc/91/39/68/1200913968.db2.gz ULBAERCKISDRRN-CVEARBPZSA-N 0 3 381.498 0.608 20 0 GCADHN Cn1cnc2c1nccc2C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCN1C ZINC001006006363 1200914784 /nfs/dbraw/zinc/91/47/84/1200914784.db2.gz XGJYPJFIZWQSFC-OJLVUWQFSA-N 0 3 382.468 0.924 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000923269574 1200916657 /nfs/dbraw/zinc/91/66/57/1200916657.db2.gz OWOKSJDJIYAGQN-QWHCGFSZSA-N 0 3 377.470 0.536 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923283060 1200925024 /nfs/dbraw/zinc/92/50/24/1200925024.db2.gz ZJHPAESXELKMHB-YUELXQCFSA-N 0 3 383.518 0.399 20 0 GCADHN CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000625943686 1200932337 /nfs/dbraw/zinc/93/23/37/1200932337.db2.gz YLWDOYWYPPQLNW-UHFFFAOYSA-N 0 3 389.456 0.371 20 0 GCADHN CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000923332837 1200953478 /nfs/dbraw/zinc/95/34/78/1200953478.db2.gz MFQFJQNCTXNJQQ-ZWKOTPCHSA-N 0 3 390.484 0.281 20 0 GCADHN CCOc1ccc(OC[C@@H](O)CN2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000923331752 1200956509 /nfs/dbraw/zinc/95/65/09/1200956509.db2.gz FXTGXEFOQHYMGJ-IRXDYDNUSA-N 0 3 377.485 0.721 20 0 GCADHN CC[C@H](C)n1nc(NC(=O)C(=O)NC[C@@H](C)N2CCN(CC)CC2)cc1C ZINC000553315866 1201011230 /nfs/dbraw/zinc/01/12/30/1201011230.db2.gz FIVZRFJSPJIBSV-GOEBONIOSA-N 0 3 378.521 1.243 20 0 GCADHN COc1cncc(NC(=O)C(=O)N(C)C2CCN(CCc3ccccn3)CC2)n1 ZINC000583568877 1201024918 /nfs/dbraw/zinc/02/49/18/1201024918.db2.gz AGAFZUSOFQRWSH-UHFFFAOYSA-N 0 3 398.467 0.984 20 0 GCADHN COc1cncc(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000582729258 1201028825 /nfs/dbraw/zinc/02/88/25/1201028825.db2.gz IOFYUDPZHBUQTP-MRXNPFEDSA-N 0 3 399.451 0.831 20 0 GCADHN Cc1nc(NCC[C@]2(O)CCCOC2)cc(NCC[C@@]2(O)CCCOC2)n1 ZINC000651470558 1201032032 /nfs/dbraw/zinc/03/20/32/1201032032.db2.gz VAFNTQZMNBSSNJ-KDURUIRLSA-N 0 3 380.489 1.472 20 0 GCADHN COc1ccc([C@@H](CCn2cncn2)NCCNS(=O)(=O)NC(C)C)cc1 ZINC000429429287 1201034862 /nfs/dbraw/zinc/03/48/62/1201034862.db2.gz KGLYCGMTTYKRNW-QGZVFWFLSA-N 0 3 396.517 0.840 20 0 GCADHN CS[C@@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H]1N(C)C ZINC000329570435 1201045913 /nfs/dbraw/zinc/04/59/13/1201045913.db2.gz MGSXFVVGURSMSQ-HUUCEWRRSA-N 0 3 382.534 0.725 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)c3nc(N)nc(N(C)C)n3)cc2)CC1 ZINC000552980321 1201088917 /nfs/dbraw/zinc/08/89/17/1201088917.db2.gz VTGHSBGTJAUVOY-UHFFFAOYSA-N 0 3 384.488 0.910 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)NCCc2nc(N)no2)CC1 ZINC000437920964 1201089231 /nfs/dbraw/zinc/08/92/31/1201089231.db2.gz OIVGLIQJBGCHFW-UHFFFAOYSA-N 0 3 387.488 0.831 20 0 GCADHN COCc1ncc(CNC(=O)CCN2CCN(c3ccccc3)CC2)c(N)n1 ZINC000558429040 1201116631 /nfs/dbraw/zinc/11/66/31/1201116631.db2.gz HNSFLQUVSONLMF-UHFFFAOYSA-N 0 3 384.484 1.034 20 0 GCADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2nc(N)nc(N3CCOCC3)n2)C1 ZINC000573377969 1201143173 /nfs/dbraw/zinc/14/31/73/1201143173.db2.gz ZUEIRCSRKMFTBP-GDBMZVCRSA-N 0 3 397.483 0.856 20 0 GCADHN Cc1c(C(=O)NCc2nccc(N)n2)nnn1-c1cccc2c1CCN(C)C2 ZINC000372070440 1201150049 /nfs/dbraw/zinc/15/00/49/1201150049.db2.gz NSCDFPLZJYCRCR-UHFFFAOYSA-N 0 3 378.440 0.866 20 0 GCADHN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)N1CCNCC1 ZINC000923578423 1201152977 /nfs/dbraw/zinc/15/29/77/1201152977.db2.gz FIEQKLGKYBXLML-UHFFFAOYSA-N 0 3 394.419 0.904 20 0 GCADHN O=C(Nc1ccc(F)cc1)NC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923590515 1201171504 /nfs/dbraw/zinc/17/15/04/1201171504.db2.gz YYMVEIRXNMEJAK-UHFFFAOYSA-N 0 3 385.465 0.562 20 0 GCADHN Nc1nc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)nc(N2CCOCC2)n1 ZINC000553179330 1201178185 /nfs/dbraw/zinc/17/81/85/1201178185.db2.gz ZGXGMFMJPZWTHD-MRXNPFEDSA-N 0 3 397.483 0.857 20 0 GCADHN Nc1nc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000568633230 1201179435 /nfs/dbraw/zinc/17/94/35/1201179435.db2.gz FXWIFSPYGZKBSA-INIZCTEOSA-N 0 3 397.483 0.857 20 0 GCADHN CCOc1ccnc(N2CCCN(C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000486453511 1201191443 /nfs/dbraw/zinc/19/14/43/1201191443.db2.gz VIBCNKQESABSBL-BZSNNMDCSA-N 0 3 393.532 0.858 20 0 GCADHN CN(C)[C@H](C(=O)NCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1)C1CC1 ZINC001063362703 1201191745 /nfs/dbraw/zinc/19/17/45/1201191745.db2.gz AIQUSPJHXFZVOA-LUKYLMHMSA-N 0 3 379.501 0.533 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000499759788 1201194273 /nfs/dbraw/zinc/19/42/73/1201194273.db2.gz PYCRVKRYBVLMDS-CDUMDVBJSA-N 0 3 391.516 0.284 20 0 GCADHN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000495474825 1201194577 /nfs/dbraw/zinc/19/45/77/1201194577.db2.gz SMWAIVTZYLFIQG-PXGUKHNGSA-N 0 3 379.505 0.914 20 0 GCADHN CCOC(=O)Cc1nnc(NC(=O)NCCCCN2CCN(C)CC2)s1 ZINC000611051562 1201213912 /nfs/dbraw/zinc/21/39/12/1201213912.db2.gz TYWXKWOZXHCWBA-UHFFFAOYSA-N 0 3 384.506 0.793 20 0 GCADHN COC(=O)c1ccc(N2CCN(C(=O)[C@H]3CN4CCN3CCC4)[C@@H](C)C2)cc1 ZINC000611202647 1201224128 /nfs/dbraw/zinc/22/41/28/1201224128.db2.gz AAOZSRSQOJMWKQ-QFBILLFUSA-N 0 3 386.496 0.900 20 0 GCADHN COC(=O)CCN1CCN(C(=O)NCC(C)(C)N2CCN(C)CC2)[C@H](C)C1 ZINC000611394963 1201235733 /nfs/dbraw/zinc/23/57/33/1201235733.db2.gz YAFAXEGYDWDQLL-MRXNPFEDSA-N 0 3 383.537 0.291 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCC(N)=O)C1 ZINC001079153352 1201247044 /nfs/dbraw/zinc/24/70/44/1201247044.db2.gz BUJWWAUNIUAFEA-PTOXDTDZSA-N 0 3 379.432 0.389 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000491425275 1201253300 /nfs/dbraw/zinc/25/33/00/1201253300.db2.gz XDVQRZOPIMFGNF-UHFFFAOYSA-N 0 3 386.537 0.212 20 0 GCADHN C[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001079727790 1201255102 /nfs/dbraw/zinc/25/51/02/1201255102.db2.gz HEKKQKIYWSHPGO-XLNGHYISSA-N 0 3 385.468 0.564 20 0 GCADHN C[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC001079719866 1201255230 /nfs/dbraw/zinc/25/52/30/1201255230.db2.gz HHGDROXCHMMIKR-BRSBDYLESA-N 0 3 383.500 0.882 20 0 GCADHN C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001079961466 1201261290 /nfs/dbraw/zinc/26/12/90/1201261290.db2.gz WIWGHYMLQDCZHK-NGFQHRJXSA-N 0 3 390.406 0.745 20 0 GCADHN C[C@@H]1CN(CCc2ccc3c(c2)CCO3)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001080436174 1201271577 /nfs/dbraw/zinc/27/15/77/1201271577.db2.gz LVCSQTCJPAQMHR-VLDUQVBPSA-N 0 3 387.480 0.633 20 0 GCADHN Cc1cccc(OCCN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 ZINC001080434952 1201271626 /nfs/dbraw/zinc/27/16/26/1201271626.db2.gz JOVHRJLPOLABHS-NRSFXHEJSA-N 0 3 375.469 0.843 20 0 GCADHN C[C@@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001080454571 1201275356 /nfs/dbraw/zinc/27/53/56/1201275356.db2.gz RBNBAOIDIJQZSG-DUFGSWQCSA-N 0 3 384.484 0.629 20 0 GCADHN CC[C@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)N(C)C ZINC001080902732 1201284391 /nfs/dbraw/zinc/28/43/91/1201284391.db2.gz JRRMRYNBZBWHAY-NEMWNAMBSA-N 0 3 379.501 0.220 20 0 GCADHN CC[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)N(C)C ZINC001080926238 1201287176 /nfs/dbraw/zinc/28/71/76/1201287176.db2.gz HAXXMOYNIGCKJR-DZTUFKMZSA-N 0 3 379.501 0.220 20 0 GCADHN CN(C)C1(C(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CCC1 ZINC001080926388 1201287509 /nfs/dbraw/zinc/28/75/09/1201287509.db2.gz NKHYBSUNBISYQV-ALYAQQCSSA-N 0 3 391.512 0.364 20 0 GCADHN CN(C)C1(C(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CCC1 ZINC001081021416 1201293111 /nfs/dbraw/zinc/29/31/11/1201293111.db2.gz DBTAONPXMAGPCB-OAGGEKHMSA-N 0 3 379.501 0.508 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC001081022861 1201293574 /nfs/dbraw/zinc/29/35/74/1201293574.db2.gz PUAVPJUPLXKRMZ-VQHPVUNQSA-N 0 3 379.501 0.365 20 0 GCADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1ccccc1 ZINC001081182293 1201295965 /nfs/dbraw/zinc/29/59/65/1201295965.db2.gz OQVBRYVPMUQUEW-YDZRNGNQSA-N 0 3 381.480 0.934 20 0 GCADHN CO[C@@H]1CN(Cc2ccccc2N(C)C)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001081846639 1201307157 /nfs/dbraw/zinc/30/71/57/1201307157.db2.gz CNAMUJCXIPOXHB-RARDXLECSA-N 0 3 390.528 0.787 20 0 GCADHN COc1ccc(CCN2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081848081 1201308590 /nfs/dbraw/zinc/30/85/90/1201308590.db2.gz LGQZTMIAVGGBAZ-HUYLIWGRSA-N 0 3 391.512 0.772 20 0 GCADHN CCCCn1c(N)c(N(C(=O)CN[C@H](CC)CO)C2CCCC2)c(=O)[nH]c1=O ZINC000727057616 1201332368 /nfs/dbraw/zinc/33/23/68/1201332368.db2.gz BKHCSGZCIPEJNQ-CYBMUJFWSA-N 0 3 395.504 0.967 20 0 GCADHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N(CCO)CCN1CCOCC1 ZINC000163967779 1201334841 /nfs/dbraw/zinc/33/48/41/1201334841.db2.gz YBYQCRLQIJIOGK-FQEVSTJZSA-N 0 3 390.528 0.987 20 0 GCADHN CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001082517537 1201335955 /nfs/dbraw/zinc/33/59/55/1201335955.db2.gz SEICPHFRBBOMSD-VUNQQRPYSA-N 0 3 392.500 0.082 20 0 GCADHN CNC(=O)c1cccc(CN[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2C)c1 ZINC001082569188 1201338791 /nfs/dbraw/zinc/33/87/91/1201338791.db2.gz RCGNLBHUVLYEFC-NONVJHHQSA-N 0 3 375.469 0.787 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1NCc1cncn1C ZINC001082594392 1201340216 /nfs/dbraw/zinc/34/02/16/1201340216.db2.gz SMMZMOWNJAKXQX-ZRJCITRHSA-N 0 3 376.379 0.703 20 0 GCADHN CC(=O)N1CCN(C(=O)CN[C@@H]2CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]2C)CC1 ZINC001082653734 1201342844 /nfs/dbraw/zinc/34/28/44/1201342844.db2.gz ARMWZOSVYPWXNH-WVSUBDOOSA-N 0 3 376.501 0.304 20 0 GCADHN COc1cc(CN[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)ccn1 ZINC001082651371 1201343038 /nfs/dbraw/zinc/34/30/38/1201343038.db2.gz ZSUIWYCMQGNJKS-DZUCGIPZSA-N 0 3 390.484 0.840 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082658945 1201344126 /nfs/dbraw/zinc/34/41/26/1201344126.db2.gz JLMPULXLPBBXJS-FZMABENVSA-N 0 3 388.512 0.847 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001082657934 1201344311 /nfs/dbraw/zinc/34/43/11/1201344311.db2.gz DFLMCQMVSFIXBJ-YNIRGQLTSA-N 0 3 375.473 0.670 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC001082746425 1201345227 /nfs/dbraw/zinc/34/52/27/1201345227.db2.gz GKWMRFPQEGPANF-OEYIWLLWSA-N 0 3 387.484 0.898 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001082739483 1201346583 /nfs/dbraw/zinc/34/65/83/1201346583.db2.gz YGPWIBRWIOXINL-REBRKWNGSA-N 0 3 390.488 0.254 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082746262 1201348117 /nfs/dbraw/zinc/34/81/17/1201348117.db2.gz UNOJCSIIGQSKKI-WCXIOVBPSA-N 0 3 378.517 0.550 20 0 GCADHN CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001082752562 1201348497 /nfs/dbraw/zinc/34/84/97/1201348497.db2.gz OPCAGUZPECTYCA-VDHUWJSZSA-N 0 3 392.544 0.829 20 0 GCADHN CC(=O)N1CCN(C(=O)CN[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@H]2C)CC1 ZINC001082797659 1201348977 /nfs/dbraw/zinc/34/89/77/1201348977.db2.gz IJOYRNYYDCIMCJ-ZWQIFLOQSA-N 0 3 390.528 0.550 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCc2cccc(C)n2)CC1 ZINC000284167335 1201376227 /nfs/dbraw/zinc/37/62/27/1201376227.db2.gz FZODFVMCRSXEFF-MRXNPFEDSA-N 0 3 375.517 0.439 20 0 GCADHN Cc1cc(C)n(CCN2C[C@H]3OCCN(C(=O)[C@@H]4C[C@H]4c4cnc[nH]4)[C@H]3C2)n1 ZINC001083111285 1201379720 /nfs/dbraw/zinc/37/97/20/1201379720.db2.gz YCNKBDIPWRAWGO-ZAWLATJESA-N 0 3 384.484 0.938 20 0 GCADHN CCN(CC)CC(=O)N1CCN(Cn2nnn(C3CCOCC3)c2=S)CC1 ZINC000729983972 1201423060 /nfs/dbraw/zinc/42/30/60/1201423060.db2.gz RHYLBORWYWCKRK-UHFFFAOYSA-N 0 3 397.549 0.604 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)C3(C(=O)NC)CC3)cc2)CC1 ZINC000730043620 1201429222 /nfs/dbraw/zinc/42/92/22/1201429222.db2.gz LPCSZNYJUOSXRS-UHFFFAOYSA-N 0 3 388.468 0.836 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)C3COC(C)(C)OC3)C[C@@]2(F)C1=O ZINC001273225272 1201429573 /nfs/dbraw/zinc/42/95/73/1201429573.db2.gz IDMAGUFWEKVUBF-IAGOWNOFSA-N 0 3 375.416 0.048 20 0 GCADHN CS(=O)(=O)c1ccc(OCCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000730067998 1201433787 /nfs/dbraw/zinc/43/37/87/1201433787.db2.gz ZGHZKRACRZEQQZ-HOCLYGCPSA-N 0 3 397.497 0.631 20 0 GCADHN COc1ccc(COC[C@@H](O)CN2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000730569847 1201456155 /nfs/dbraw/zinc/45/61/55/1201456155.db2.gz AJSUFYYZZMCISI-CVEARBPZSA-N 0 3 387.502 0.078 20 0 GCADHN CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2nnc(-c3ccccc3)[n-]2)CC1 ZINC000731762539 1201502094 /nfs/dbraw/zinc/50/20/94/1201502094.db2.gz VNCOWTOKWKJBIK-UHFFFAOYSA-N 0 3 385.472 0.824 20 0 GCADHN CN(C)C(=O)CN1CCC(NC(=O)NCc2nnc(-c3ccccc3)[nH]2)CC1 ZINC000731762539 1201502100 /nfs/dbraw/zinc/50/21/00/1201502100.db2.gz VNCOWTOKWKJBIK-UHFFFAOYSA-N 0 3 385.472 0.824 20 0 GCADHN CC(C)(C)N1NC=C2C[NH+]=C(NN/C=C3/C(=O)[N-]C(=O)c4ccccc43)N=C21 ZINC000732046879 1201512824 /nfs/dbraw/zinc/51/28/24/1201512824.db2.gz NVHXWMRRYOHIMZ-GXDHUFHOSA-N 0 3 379.424 0.662 20 0 GCADHN O=C([C@@H]1CCO[C@H]1C1CC1)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001084994219 1201531445 /nfs/dbraw/zinc/53/14/45/1201531445.db2.gz DUXNPEGLIUKACB-BGTYHANMSA-N 0 3 376.501 0.750 20 0 GCADHN Cc1nc(C)n(CCN2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(=O)N(C)C)C[C@@H]32)n1 ZINC001085033950 1201552908 /nfs/dbraw/zinc/55/29/08/1201552908.db2.gz KPRLMNIATCNYDL-BDXSIMOUSA-N 0 3 388.516 0.542 20 0 GCADHN Cc1noc(CCCN2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(=O)N(C)C)C[C@@H]32)n1 ZINC001085034015 1201552950 /nfs/dbraw/zinc/55/29/50/1201552950.db2.gz OZGWDFGYCTYSNP-NCOADZHNSA-N 0 3 389.500 0.958 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001085040135 1201557167 /nfs/dbraw/zinc/55/71/67/1201557167.db2.gz ORJACYSSKFSTDD-MTSZKFMLSA-N 0 3 375.469 0.626 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)o1 ZINC000733158914 1201578400 /nfs/dbraw/zinc/57/84/00/1201578400.db2.gz UBLXFVWUJGEELK-AWEZNQCLSA-N 0 3 385.486 0.903 20 0 GCADHN CN1CCN(CCNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1(C)C ZINC000282568898 1201612532 /nfs/dbraw/zinc/61/25/32/1201612532.db2.gz OTTRZKYNAAMYEN-UHFFFAOYSA-N 0 3 380.514 0.277 20 0 GCADHN CN(C)C(=O)c1cccc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000282583175 1201613943 /nfs/dbraw/zinc/61/39/43/1201613943.db2.gz PPKFOCABITTWEG-UHFFFAOYSA-N 0 3 382.530 0.693 20 0 GCADHN CN(C)Cc1ccc(NC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)c(F)c1 ZINC001299307220 1201614683 /nfs/dbraw/zinc/61/46/83/1201614683.db2.gz WTWLKCRQMMOQHV-UHFFFAOYSA-N 0 3 377.376 0.277 20 0 GCADHN CN(CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)CC(C)(C)C ZINC001065628765 1201629574 /nfs/dbraw/zinc/62/95/74/1201629574.db2.gz AMGQOURFTHNKBN-VQHPVUNQSA-N 0 3 381.517 0.875 20 0 GCADHN C[C@H](CNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F)CN1CCN(C)CC1 ZINC000733976181 1201635932 /nfs/dbraw/zinc/63/59/32/1201635932.db2.gz IXBXZYFBGAICRP-CJNGLKHVSA-N 0 3 391.438 0.560 20 0 GCADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)N1CCNC(=O)C1 ZINC001085282770 1201656499 /nfs/dbraw/zinc/65/64/99/1201656499.db2.gz LYBAURSULACIAC-QXDIGNSFSA-N 0 3 390.528 0.788 20 0 GCADHN NC(=O)CNC(=O)c1cccc(OC(=O)C2CC[C@H](C(F)(F)F)NC2=O)c1 ZINC000734714094 1201659858 /nfs/dbraw/zinc/65/98/58/1201659858.db2.gz FUXUDKSMHTWFNI-GHMZBOCLSA-N 0 3 387.314 0.264 20 0 GCADHN NC(=O)CNC(=O)c1ccc(OC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)cc1 ZINC000734719796 1201661167 /nfs/dbraw/zinc/66/11/67/1201661167.db2.gz GOUCXYYYXHUEIU-MNOVXSKESA-N 0 3 387.314 0.264 20 0 GCADHN Cn1cc(-c2cc(CN[C@@H]3CCCC[C@H]3NC(=O)[C@H]3C[C@H]3C(N)=O)on2)cn1 ZINC001085335339 1201671192 /nfs/dbraw/zinc/67/11/92/1201671192.db2.gz NJPSINHILJTWFM-QKPAOTATSA-N 0 3 386.456 0.714 20 0 GCADHN COc1coc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)cc1=O ZINC001085335516 1201676313 /nfs/dbraw/zinc/67/63/13/1201676313.db2.gz ZKQVDPJREIQYSP-ZJIFWQFVSA-N 0 3 391.468 0.890 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000735588199 1201693165 /nfs/dbraw/zinc/69/31/65/1201693165.db2.gz RMXMBSZOPYUJEL-SJORKVTESA-N 0 3 386.452 0.731 20 0 GCADHN Cn1cnnc1-c1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735591267 1201694324 /nfs/dbraw/zinc/69/43/24/1201694324.db2.gz YZFNEZYWQUGYGB-CVEARBPZSA-N 0 3 384.440 0.400 20 0 GCADHN Cn1cnnc1-c1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000735591273 1201694362 /nfs/dbraw/zinc/69/43/62/1201694362.db2.gz YZFNEZYWQUGYGB-JKSUJKDBSA-N 0 3 384.440 0.400 20 0 GCADHN CCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735589649 1201694741 /nfs/dbraw/zinc/69/47/41/1201694741.db2.gz JBXBROHFZDNWDT-GJZGRUSLSA-N 0 3 395.481 0.398 20 0 GCADHN COC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735594416 1201695399 /nfs/dbraw/zinc/69/53/99/1201695399.db2.gz LXOVZWMXADIIRO-CABCVRRESA-N 0 3 376.413 0.783 20 0 GCADHN Cc1nc(-c2ccccc2NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000735592831 1201695466 /nfs/dbraw/zinc/69/54/66/1201695466.db2.gz GFFIKOGTQGFCFU-UONOGXRCSA-N 0 3 385.424 0.963 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@]2(C)CCNC2=O)C3)C1 ZINC001006249561 1201695537 /nfs/dbraw/zinc/69/55/37/1201695537.db2.gz MIHHDESTOAZQIR-ZOZBEKFXSA-N 0 3 376.501 0.493 20 0 GCADHN NC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1Cl ZINC000735596320 1201695818 /nfs/dbraw/zinc/69/58/18/1201695818.db2.gz RGVQTWPFMBSMHH-VXGBXAGGSA-N 0 3 380.832 0.357 20 0 GCADHN CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735593366 1201695848 /nfs/dbraw/zinc/69/58/48/1201695848.db2.gz IFRVZVMCUJVJCR-NEPJUHHUSA-N 0 3 399.444 0.147 20 0 GCADHN Cc1cc(CN2CCC3(C2)CCN(C(=O)CNS(C)(=O)=O)CC3)n(C)n1 ZINC001273325550 1201696539 /nfs/dbraw/zinc/69/65/39/1201696539.db2.gz KZNFQVAJYNVUHI-UHFFFAOYSA-N 0 3 383.518 0.092 20 0 GCADHN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@@H](CO)C(C)(C)C)C1=O ZINC000735873298 1201703425 /nfs/dbraw/zinc/70/34/25/1201703425.db2.gz HRFQWCQNKREDHV-LIRRHRJNSA-N 0 3 376.457 0.872 20 0 GCADHN O=C(NCc1ccc(-n2cncn2)nc1)N1CCN(CC2CCOCC2)CC1 ZINC000737035018 1201719907 /nfs/dbraw/zinc/71/99/07/1201719907.db2.gz KYKPTXXXQYIYQU-UHFFFAOYSA-N 0 3 385.472 0.916 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(C(=O)OC)c2)CC1 ZINC000737092068 1201720435 /nfs/dbraw/zinc/72/04/35/1201720435.db2.gz SXOQCUHRJBBYCU-UHFFFAOYSA-N 0 3 380.420 0.305 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)N1CCCCC1 ZINC000737139406 1201722160 /nfs/dbraw/zinc/72/21/60/1201722160.db2.gz OZTCXHSGOJAOBB-AWEZNQCLSA-N 0 3 396.513 0.665 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2)CC1 ZINC000737184809 1201722432 /nfs/dbraw/zinc/72/24/32/1201722432.db2.gz PMGZBFAVUQOBQB-UHFFFAOYSA-N 0 3 379.848 0.440 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000737215950 1201724067 /nfs/dbraw/zinc/72/40/67/1201724067.db2.gz CVQYZTCYWAUWNR-HZPDHXFCSA-N 0 3 384.440 0.244 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000737215948 1201724252 /nfs/dbraw/zinc/72/42/52/1201724252.db2.gz CVQYZTCYWAUWNR-CVEARBPZSA-N 0 3 384.440 0.244 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000737215951 1201724266 /nfs/dbraw/zinc/72/42/66/1201724266.db2.gz CVQYZTCYWAUWNR-JKSUJKDBSA-N 0 3 384.440 0.244 20 0 GCADHN CCc1cc(CNC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)[nH]n1 ZINC000737299884 1201727287 /nfs/dbraw/zinc/72/72/87/1201727287.db2.gz UIAVPTITOBKUEY-UHFFFAOYSA-N 0 3 384.484 0.974 20 0 GCADHN CCc1cc(CNC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)n[nH]1 ZINC000737299884 1201727290 /nfs/dbraw/zinc/72/72/90/1201727290.db2.gz UIAVPTITOBKUEY-UHFFFAOYSA-N 0 3 384.484 0.974 20 0 GCADHN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000738108056 1201734125 /nfs/dbraw/zinc/73/41/25/1201734125.db2.gz ATCQGHZPVUCMLR-AWEZNQCLSA-N 0 3 395.504 0.901 20 0 GCADHN CC[C@]1(C(C)C)NC(=O)N(CN2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000738160640 1201734915 /nfs/dbraw/zinc/73/49/15/1201734915.db2.gz LEDGXJDFAJAICC-LJQANCHMSA-N 0 3 379.505 0.541 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@](C)(O)CSC)cc2)CC1 ZINC000739134546 1201740582 /nfs/dbraw/zinc/74/05/82/1201740582.db2.gz ADQYYCHYUMMGFR-LJQANCHMSA-N 0 3 394.541 0.997 20 0 GCADHN CCN1C[C@@H](C)N(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C[C@@H]1C ZINC000766255359 1201749778 /nfs/dbraw/zinc/74/97/78/1201749778.db2.gz WYJQRKMBMFMKCC-UARSRXHTSA-N 0 3 379.505 0.933 20 0 GCADHN Cc1cccc(F)c1CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000804259540 1201753896 /nfs/dbraw/zinc/75/38/96/1201753896.db2.gz WTPMPMPIMUFPOS-KRWDZBQOSA-N 0 3 392.475 0.809 20 0 GCADHN CN(C)CCCCC(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000741214975 1201763220 /nfs/dbraw/zinc/76/32/20/1201763220.db2.gz UYBWHZAFVSMDGW-KRWDZBQOSA-N 0 3 389.562 0.456 20 0 GCADHN C[S@](=O)CCN1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000741290348 1201772195 /nfs/dbraw/zinc/77/21/95/1201772195.db2.gz FABONJHCEBXBNI-QYBDOPJKSA-N 0 3 378.542 0.816 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccnn2-c2ccccc2)CC1 ZINC000179957090 1201780226 /nfs/dbraw/zinc/78/02/26/1201780226.db2.gz OOMGYKGJOVJMOB-INIZCTEOSA-N 0 3 384.484 0.953 20 0 GCADHN COc1ccc(CN2C(=O)C(=O)N(CN3CC[C@@H](N4CC=CC4)C3)C2=O)cc1 ZINC000742163556 1201790323 /nfs/dbraw/zinc/79/03/23/1201790323.db2.gz UDQPURDPHWRIHO-MRXNPFEDSA-N 0 3 384.436 0.890 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)c2ncccc12 ZINC000742255238 1201794491 /nfs/dbraw/zinc/79/44/91/1201794491.db2.gz SQPQCMFNTJKHAF-HOCLYGCPSA-N 0 3 376.482 0.918 20 0 GCADHN CCn1nnc(C)c1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001086157198 1201808343 /nfs/dbraw/zinc/80/83/43/1201808343.db2.gz ILJSRHVPBYJKNS-RNGZQALNSA-N 0 3 377.489 0.642 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743208611 1201814696 /nfs/dbraw/zinc/81/46/96/1201814696.db2.gz PARWXJHHAGRYAM-AWEZNQCLSA-N 0 3 387.506 0.502 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCn3c(nnc3-c3ccccc3)C1)C2=O ZINC000743410481 1201817675 /nfs/dbraw/zinc/81/76/75/1201817675.db2.gz BUCXILSNZJHSPO-UHFFFAOYSA-N 0 3 395.467 0.734 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN(CCC(=O)OC)C1CCOCC1 ZINC000743872363 1201825225 /nfs/dbraw/zinc/82/52/25/1201825225.db2.gz PKSNVGQKNZFYIJ-INIZCTEOSA-N 0 3 384.473 0.975 20 0 GCADHN COCCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)C1 ZINC000743919366 1201828491 /nfs/dbraw/zinc/82/84/91/1201828491.db2.gz HMYAXGQHXYSTED-INIZCTEOSA-N 0 3 389.500 0.214 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1C(=O)OC ZINC000743978907 1201831449 /nfs/dbraw/zinc/83/14/49/1201831449.db2.gz BHJXMDPXJAZNSV-GFCCVEGCSA-N 0 3 391.424 0.799 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c1 ZINC000743978188 1201831860 /nfs/dbraw/zinc/83/18/60/1201831860.db2.gz FLZBHQYFADGVPX-AWEZNQCLSA-N 0 3 376.457 0.741 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1 ZINC000743977903 1201831916 /nfs/dbraw/zinc/83/19/16/1201831916.db2.gz AKEVWXAHOJFEDB-CYBMUJFWSA-N 0 3 398.485 0.408 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000743981906 1201832407 /nfs/dbraw/zinc/83/24/07/1201832407.db2.gz MBJAXUVWGNPGSL-ZDUSSCGKSA-N 0 3 382.486 0.275 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000743982790 1201832420 /nfs/dbraw/zinc/83/24/20/1201832420.db2.gz ZGLWBUBYJSKLIQ-CQSZACIVSA-N 0 3 394.497 0.766 20 0 GCADHN CSc1nnnn1-c1cccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c1 ZINC000743980984 1201832754 /nfs/dbraw/zinc/83/27/54/1201832754.db2.gz PMISXWHMASVFIK-LBPRGKRZSA-N 0 3 389.485 0.923 20 0 GCADHN COC(=O)CCN(CC(=O)N1CCN(Cc2ccco2)CC1)C1CCOCC1 ZINC000744427291 1201842550 /nfs/dbraw/zinc/84/25/50/1201842550.db2.gz PVSZYXGBQWXQLE-UHFFFAOYSA-N 0 3 393.484 0.968 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2nn(C)c(=O)c3ccccc32)CC1 ZINC000766335663 1201891591 /nfs/dbraw/zinc/89/15/91/1201891591.db2.gz LJNGTUJUAZFSBS-INIZCTEOSA-N 0 3 383.452 0.312 20 0 GCADHN C[C@@H](CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)CN1CCN(C)CC1 ZINC000745863987 1201892026 /nfs/dbraw/zinc/89/20/26/1201892026.db2.gz ZYKQZFKEVGJWMY-KBPBESRZSA-N 0 3 393.454 0.675 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000746041496 1201897313 /nfs/dbraw/zinc/89/73/13/1201897313.db2.gz SWLPVHOOCIHXGV-CQSZACIVSA-N 0 3 375.473 0.726 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCC(=O)OCc2ccccc2Cl)CC1=O ZINC000746261764 1201904062 /nfs/dbraw/zinc/90/40/62/1201904062.db2.gz ZLUHFJMSVBLNMP-CQSZACIVSA-N 0 3 381.860 0.910 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000746267862 1201905333 /nfs/dbraw/zinc/90/53/33/1201905333.db2.gz VRGGXBXQWXRDBC-LSDHHAIUSA-N 0 3 382.505 0.912 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C3)C1 ZINC001006330388 1201909846 /nfs/dbraw/zinc/90/98/46/1201909846.db2.gz YOWHYMFWISFFGL-JJTUDDRGSA-N 0 3 390.528 0.868 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2)C1CCC1 ZINC001006330909 1201910328 /nfs/dbraw/zinc/91/03/28/1201910328.db2.gz FOGQPSDNYYSRBT-IEHFGQBSSA-N 0 3 376.501 0.620 20 0 GCADHN Cn1cc(C[C@@H]2CC(=O)N(CN3CCN(CC4CCOCC4)CC3)C2=O)cn1 ZINC000746378280 1201916244 /nfs/dbraw/zinc/91/62/44/1201916244.db2.gz QXHBDZHHRFOHMZ-GOSISDBHSA-N 0 3 389.500 0.339 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccnn2CC2CC2)CC1 ZINC000746395900 1201917675 /nfs/dbraw/zinc/91/76/75/1201917675.db2.gz OBIGVEJFAPDCIQ-UHFFFAOYSA-N 0 3 390.488 0.244 20 0 GCADHN Cn1c2ccccc2n(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1=O ZINC000103122633 1201917811 /nfs/dbraw/zinc/91/78/11/1201917811.db2.gz BJRBARMBCLUQKH-UHFFFAOYSA-N 0 3 385.468 0.107 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000746406029 1201918507 /nfs/dbraw/zinc/91/85/07/1201918507.db2.gz JVDJSPRJZBHPID-IRXDYDNUSA-N 0 3 384.440 0.244 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000746406030 1201918546 /nfs/dbraw/zinc/91/85/46/1201918546.db2.gz JVDJSPRJZBHPID-SJORKVTESA-N 0 3 384.440 0.244 20 0 GCADHN CC(C)CN1N=C(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCC1=O ZINC000766435268 1201924600 /nfs/dbraw/zinc/92/46/00/1201924600.db2.gz CGQWSWXGKVSMFG-MRXNPFEDSA-N 0 3 377.489 0.386 20 0 GCADHN CNC(=O)CN1CCO[C@H]2CN([C@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001168851899 1201927312 /nfs/dbraw/zinc/92/73/12/1201927312.db2.gz BFFOEMIMQWVFBQ-QXSJWSMHSA-N 0 3 382.505 0.515 20 0 GCADHN CN(C(F)(F)c1nc(Cl)cc(N2CCOCC2)n1)S(=O)(=O)CCN ZINC001156232529 1201927966 /nfs/dbraw/zinc/92/79/66/1201927966.db2.gz XBCRIGCPJNDROW-UHFFFAOYSA-N 0 3 385.824 0.236 20 0 GCADHN CCS(=O)(=O)c1cc(C(F)(F)N(C)S(=O)(=O)CCN)cnc1Cl ZINC001156240386 1201930072 /nfs/dbraw/zinc/93/00/72/1201930072.db2.gz NZPAWXYFWWXKEY-UHFFFAOYSA-N 0 3 391.849 0.798 20 0 GCADHN CN(C)c1ncc2c(n1)[C@H]1CN([C@H]3C[C@H]4CC[C@@H](C3)N4C)C[C@H]1S(=O)(=O)C2 ZINC001169128523 1201932711 /nfs/dbraw/zinc/93/27/11/1201932711.db2.gz FALIONXIGWKYGV-JZAWBGDQSA-N 0 3 391.541 0.864 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001169191431 1201935090 /nfs/dbraw/zinc/93/50/90/1201935090.db2.gz NNOMLTXVLYCOIW-ILXRZTDVSA-N 0 3 395.479 0.645 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@H](F)C[C@H]1CO ZINC001169193834 1201935749 /nfs/dbraw/zinc/93/57/49/1201935749.db2.gz WFNAGPOVINNMRX-MCIONIFRSA-N 0 3 381.452 0.397 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C1CC1)C1COC1 ZINC001169207770 1201938228 /nfs/dbraw/zinc/93/82/28/1201938228.db2.gz LVPZWIADXDWTPN-ZDUSSCGKSA-N 0 3 375.473 0.856 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCN(CCF)CC1 ZINC001169209571 1201938272 /nfs/dbraw/zinc/93/82/72/1201938272.db2.gz ZFXJQOFPSVCDCZ-HNNXBMFYSA-N 0 3 394.495 0.580 20 0 GCADHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NC[C@H]1CNC(=O)CO1 ZINC001169270964 1201941770 /nfs/dbraw/zinc/94/17/70/1201941770.db2.gz KTDPPVFKFCWSKN-UKRRQHHQSA-N 0 3 394.472 0.114 20 0 GCADHN CCOC(=O)[C@H]1CC[C@@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)CO1 ZINC001169399779 1201946191 /nfs/dbraw/zinc/94/61/91/1201946191.db2.gz WSCQBPZTRUXUBE-HZPDHXFCSA-N 0 3 378.473 0.621 20 0 GCADHN CCOC(=O)[C@H]1CC[C@H](N2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)CO1 ZINC001169399224 1201946329 /nfs/dbraw/zinc/94/63/29/1201946329.db2.gz VCWIZYMCVBTUQS-IGKNDFSCSA-N 0 3 396.484 0.988 20 0 GCADHN CCOCCN1CCN(C(=O)[C@H]2CCN(C)[C@@H]2CC)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001108474631 1201947004 /nfs/dbraw/zinc/94/70/04/1201947004.db2.gz UXRYIODRSXXJBK-VVLHAWIVSA-N 0 3 387.546 0.063 20 0 GCADHN CC(=O)N1CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001169531597 1201950207 /nfs/dbraw/zinc/95/02/07/1201950207.db2.gz HURTUOLNKOEBPN-QYZOEREBSA-N 0 3 388.512 0.824 20 0 GCADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN([C@H]1CCN(C(C)=O)C1)CC2 ZINC001169549073 1201950767 /nfs/dbraw/zinc/95/07/67/1201950767.db2.gz KULQCUHEEUXHEJ-DLBZAZTESA-N 0 3 399.557 0.902 20 0 GCADHN CCOC(=O)N1CCC[C@H](N2CCOC[C@@]3(CN(C(C)=O)CCO3)C2)CC1 ZINC001169690763 1201954796 /nfs/dbraw/zinc/95/47/96/1201954796.db2.gz BGFOBXJEGQSTTR-PKOBYXMFSA-N 0 3 383.489 0.947 20 0 GCADHN CNC(=O)CN1CCO[C@H]2CN([C@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]21 ZINC001169774426 1201956090 /nfs/dbraw/zinc/95/60/90/1201956090.db2.gz YRIWFEWBRWYUTC-OTWHNJEPSA-N 0 3 386.496 0.422 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F)C1=COCCO1 ZINC001108888316 1201979042 /nfs/dbraw/zinc/97/90/42/1201979042.db2.gz NGNFZWZNIYLNPN-VOAKCMCISA-N 0 3 380.363 0.536 20 0 GCADHN O=C(Cn1cccn1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001108925792 1201981485 /nfs/dbraw/zinc/98/14/85/1201981485.db2.gz DPBWUBVKSSXODM-LMSBXDPUSA-N 0 3 378.473 0.161 20 0 GCADHN NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1cccs1 ZINC001108916988 1201982094 /nfs/dbraw/zinc/98/20/94/1201982094.db2.gz UBZKHAHYIIDGOR-UXOAXIEHSA-N 0 3 382.486 0.015 20 0 GCADHN CS(=O)(=O)Nc1ccc(N2CCN(CCC(=O)N3CCOCC3)CC2)cc1 ZINC000767754914 1201986473 /nfs/dbraw/zinc/98/64/73/1201986473.db2.gz WFIDEADJMGFSHO-UHFFFAOYSA-N 0 3 396.513 0.429 20 0 GCADHN CCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001109081894 1201993828 /nfs/dbraw/zinc/99/38/28/1201993828.db2.gz JIIJZQJQGFVUPR-VOAKCMCISA-N 0 3 381.395 0.174 20 0 GCADHN CC(C)(C)NC(=O)NCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc[nH]n1)C2 ZINC001109127101 1201997656 /nfs/dbraw/zinc/99/76/56/1201997656.db2.gz FYIGEASORKKQQA-RDBSUJKOSA-N 0 3 377.493 0.557 20 0 GCADHN CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001109181177 1202001930 /nfs/dbraw/zinc/00/19/30/1202001930.db2.gz ZQKVGKUQBIVEAX-OHFALNGGSA-N 0 3 379.457 0.405 20 0 GCADHN CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000768166664 1202004921 /nfs/dbraw/zinc/00/49/21/1202004921.db2.gz NAAGCJXFZAMOFK-KBPBESRZSA-N 0 3 392.431 0.445 20 0 GCADHN CC(C)(C)OC(=O)NCCN(CCO)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000768324540 1202009997 /nfs/dbraw/zinc/00/99/97/1202009997.db2.gz IGPFNBYVLLSKBY-GJZGRUSLSA-N 0 3 386.493 0.378 20 0 GCADHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC(C(=O)NCCO)CC1 ZINC000768318641 1202012023 /nfs/dbraw/zinc/01/20/23/1202012023.db2.gz MWVRQDYAYGPSFL-UHFFFAOYSA-N 0 3 380.489 0.772 20 0 GCADHN Cn1nccc1CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1ccncc1)C2 ZINC001109314130 1202021670 /nfs/dbraw/zinc/02/16/70/1202021670.db2.gz FVJRIZLSLFMCDD-SQNIBIBYSA-N 0 3 382.468 0.509 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccncn1)C2 ZINC001109355041 1202023361 /nfs/dbraw/zinc/02/33/61/1202023361.db2.gz IFOCRKLGAWYLAS-SQNIBIBYSA-N 0 3 375.473 0.283 20 0 GCADHN CC(C)C(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001109365688 1202026561 /nfs/dbraw/zinc/02/65/61/1202026561.db2.gz YGHIZKPSDONDII-QZWWFDLISA-N 0 3 377.489 0.080 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO[C@@H]1CCOC1)C(=O)C1CC1 ZINC001109368310 1202028442 /nfs/dbraw/zinc/02/84/42/1202028442.db2.gz NFSYDVIZABTCBR-BDXSIMOUSA-N 0 3 379.501 0.772 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(=O)C1CC1)C2 ZINC001109368466 1202028466 /nfs/dbraw/zinc/02/84/66/1202028466.db2.gz WGMAGZNNNVIBCI-BDXSIMOUSA-N 0 3 381.517 0.610 20 0 GCADHN CCCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NCC ZINC001109371746 1202031538 /nfs/dbraw/zinc/03/15/38/1202031538.db2.gz SLZVCRREYWWIJP-UGUYLWEFSA-N 0 3 379.505 0.428 20 0 GCADHN CN(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(F)(F)F)C1CC1 ZINC001109401631 1202038179 /nfs/dbraw/zinc/03/81/79/1202038179.db2.gz BVKUVYWMTSAEFB-OSFYFWSMSA-N 0 3 376.423 0.727 20 0 GCADHN CN(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C(C)(C)C)n1)C1CC1 ZINC001109406208 1202039548 /nfs/dbraw/zinc/03/95/48/1202039548.db2.gz RFOOPFSLXFNQFE-AESZEHBQSA-N 0 3 375.521 0.990 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1CCCC1=O)C1CCC1 ZINC001109410745 1202039605 /nfs/dbraw/zinc/03/96/05/1202039605.db2.gz SXQYFOVPKWZCOO-BDXSIMOUSA-N 0 3 378.517 0.176 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn(C)nc1C)C2 ZINC001109409700 1202039764 /nfs/dbraw/zinc/03/97/64/1202039764.db2.gz POIIZOCBPFUOPF-BDXSIMOUSA-N 0 3 380.489 0.016 20 0 GCADHN COCCc1nc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)N(C)C)C3)no1 ZINC001109406021 1202039815 /nfs/dbraw/zinc/03/98/15/1202039815.db2.gz LGRUYZGVIAQCKZ-LLDVTBCESA-N 0 3 377.489 0.820 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(OC)ccc1OC)C2 ZINC001109422825 1202043878 /nfs/dbraw/zinc/04/38/78/1202043878.db2.gz KPZGNBFRJYZKMY-FZCLSBEQSA-N 0 3 378.469 0.975 20 0 GCADHN Cc1cc(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)Cn2cccn2)no1 ZINC001109421060 1202045535 /nfs/dbraw/zinc/04/55/35/1202045535.db2.gz ZDTQOBMEMMKUKV-UGUYLWEFSA-N 0 3 375.429 0.341 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)N(C)CCO3)C2 ZINC001109443807 1202052388 /nfs/dbraw/zinc/05/23/88/1202052388.db2.gz FXKNHCSKBNRGKK-QZWWFDLISA-N 0 3 375.469 0.858 20 0 GCADHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@H]1CCOC1 ZINC001109463876 1202056745 /nfs/dbraw/zinc/05/67/45/1202056745.db2.gz BEFNAYTVQMXQHW-NCOADZHNSA-N 0 3 380.533 0.591 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCNC1=O)C2 ZINC001109484038 1202059606 /nfs/dbraw/zinc/05/96/06/1202059606.db2.gz BFXDYMMJWODQKR-NCOADZHNSA-N 0 3 382.505 0.157 20 0 GCADHN O=C(CN1CCCNC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO[C@H]1CCOC1 ZINC001109484274 1202059647 /nfs/dbraw/zinc/05/96/47/1202059647.db2.gz NQVWEYSAELFHKW-QZWWFDLISA-N 0 3 380.489 0.319 20 0 GCADHN NS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000769583286 1202063237 /nfs/dbraw/zinc/06/32/37/1202063237.db2.gz MAGIHEBKPIFREZ-IAGOWNOFSA-N 0 3 380.514 0.963 20 0 GCADHN NC(=O)NCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCc2ncnn21 ZINC001109498039 1202065579 /nfs/dbraw/zinc/06/55/79/1202065579.db2.gz URCLRDWFZNJWLH-KBXIAJHMSA-N 0 3 375.477 0.326 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000769653232 1202066744 /nfs/dbraw/zinc/06/67/44/1202066744.db2.gz KUYDKJWFNSLSMI-UHFFFAOYSA-N 0 3 398.510 0.342 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnoc1-c1cnn(C)c1)C2 ZINC001109549064 1202077029 /nfs/dbraw/zinc/07/70/29/1202077029.db2.gz HPEMXYHIUNEYHI-VDERGJSUSA-N 0 3 375.429 0.418 20 0 GCADHN COCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](CN3CCOCC3)O1)C2 ZINC001109544789 1202077981 /nfs/dbraw/zinc/07/79/81/1202077981.db2.gz MYKZJTUMVMKORM-GFEQUFNTSA-N 0 3 381.517 0.624 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cncc(C)c1)C2 ZINC001109561859 1202080853 /nfs/dbraw/zinc/08/08/53/1202080853.db2.gz RFVDFSHPJCFJTN-XWSJACJDSA-N 0 3 377.485 0.678 20 0 GCADHN COC[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCN2CCCC2=O)CCOC1 ZINC001109563351 1202081018 /nfs/dbraw/zinc/08/10/18/1202081018.db2.gz RADKMKSWYYKTRM-YLAKUSLOSA-N 0 3 379.501 0.774 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cncc(C)c1)C2 ZINC001109561860 1202081149 /nfs/dbraw/zinc/08/11/49/1202081149.db2.gz RFVDFSHPJCFJTN-YRXWBPOGSA-N 0 3 377.485 0.678 20 0 GCADHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000769994216 1202081366 /nfs/dbraw/zinc/08/13/66/1202081366.db2.gz IHQNEWMWFSFZKW-WCXIOVBPSA-N 0 3 377.489 0.738 20 0 GCADHN CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)c(C)c1 ZINC001109564637 1202081415 /nfs/dbraw/zinc/08/14/15/1202081415.db2.gz ZPTKWIYSTCLLJW-IKGGRYGDSA-N 0 3 380.514 0.579 20 0 GCADHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000769994210 1202081598 /nfs/dbraw/zinc/08/15/98/1202081598.db2.gz IHQNEWMWFSFZKW-LTIDMASMSA-N 0 3 377.489 0.738 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)C2 ZINC001109585332 1202085426 /nfs/dbraw/zinc/08/54/26/1202085426.db2.gz PPGNZHGSZJPFLI-BDXSIMOUSA-N 0 3 381.517 0.610 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c(C)csc3n1)C2 ZINC001109588662 1202086697 /nfs/dbraw/zinc/08/66/97/1202086697.db2.gz OZFLCMLYZVVYGN-WCVJEAGWSA-N 0 3 378.498 0.976 20 0 GCADHN CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOCC(F)(F)F)NC1=O ZINC001109601844 1202087708 /nfs/dbraw/zinc/08/77/08/1202087708.db2.gz RISLMJBUDYXLCZ-XQHKEYJVSA-N 0 3 378.395 0.701 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ncccc1F)C2 ZINC001109642769 1202095791 /nfs/dbraw/zinc/09/57/91/1202095791.db2.gz VKNFELKRTQOKQI-BODMPHMZSA-N 0 3 381.448 0.509 20 0 GCADHN NC(=O)CC[C@H](C(=O)OCCN1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000770387218 1202098553 /nfs/dbraw/zinc/09/85/53/1202098553.db2.gz DKDRXSAPLRTLOG-MRXNPFEDSA-N 0 3 387.436 0.946 20 0 GCADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000770443375 1202099030 /nfs/dbraw/zinc/09/90/30/1202099030.db2.gz QZCMTFBFTGFPIS-CABCVRRESA-N 0 3 389.566 0.453 20 0 GCADHN CCCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001109686797 1202104252 /nfs/dbraw/zinc/10/42/52/1202104252.db2.gz IRKQVDPENOSULN-WBTNSWJXSA-N 0 3 381.521 0.530 20 0 GCADHN CC(C)(C)NC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001109688371 1202104706 /nfs/dbraw/zinc/10/47/06/1202104706.db2.gz LQFWHXFBKNPYQC-USWWRNFRSA-N 0 3 380.424 0.508 20 0 GCADHN NC(=O)c1coc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@@H]2CCOC2)c1 ZINC001109709111 1202106978 /nfs/dbraw/zinc/10/69/78/1202106978.db2.gz CVPVZTSIVDPQFJ-WCVJEAGWSA-N 0 3 377.441 0.909 20 0 GCADHN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)CCN(C)C2CC2)C1=O ZINC000770684247 1202107053 /nfs/dbraw/zinc/10/70/53/1202107053.db2.gz BCQFKCIBQMUXAU-FQEVSTJZSA-N 0 3 387.484 0.901 20 0 GCADHN CCc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)COCCOC)ccn1C ZINC001109718405 1202107342 /nfs/dbraw/zinc/10/73/42/1202107342.db2.gz GNETYNMWDHNMPQ-YEWFCNIMSA-N 0 3 379.501 0.947 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CCC(N)=O)cc1)C2 ZINC001109700171 1202107376 /nfs/dbraw/zinc/10/73/76/1202107376.db2.gz ACXINEKWJKEQLD-OWSLCNJRSA-N 0 3 375.469 0.447 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccnc1C)C2 ZINC001109717270 1202108748 /nfs/dbraw/zinc/10/87/48/1202108748.db2.gz JAIPCZLSXPGBAR-XWSJACJDSA-N 0 3 377.485 0.678 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cc(C)on1)C2 ZINC001109712705 1202109610 /nfs/dbraw/zinc/10/96/10/1202109610.db2.gz BERVCHOZJLGTAU-OWSLCNJRSA-N 0 3 381.473 0.661 20 0 GCADHN CNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CC(C)(C)C)C2 ZINC001109729182 1202113187 /nfs/dbraw/zinc/11/31/87/1202113187.db2.gz XVQMAWCAWPRNHX-KBXIAJHMSA-N 0 3 381.521 0.530 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O)CC(C)(C)C ZINC001109729100 1202113233 /nfs/dbraw/zinc/11/32/33/1202113233.db2.gz USZKFWIRRGOXCH-ILXRZTDVSA-N 0 3 379.505 0.238 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CCc1ccccc1)C2 ZINC001109729173 1202113379 /nfs/dbraw/zinc/11/33/79/1202113379.db2.gz XLCGBKXPKAZXLJ-FYQPLNBISA-N 0 3 375.513 0.890 20 0 GCADHN O=C(CCc1cnn[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCS(=O)(=O)C1 ZINC001109741618 1202116222 /nfs/dbraw/zinc/11/62/22/1202116222.db2.gz RXFBXONARVSYAX-UKMLZYKCSA-N 0 3 381.502 0.284 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@@H](n2nncc2CN)C[C@H]1C(=O)N1CCSC1 ZINC001170022234 1202126434 /nfs/dbraw/zinc/12/64/34/1202126434.db2.gz OQNIOPFUUHDLOZ-AAEUAGOBSA-N 0 3 382.490 0.820 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COc1ccccc1F)c1nnc[nH]1 ZINC001109861737 1202139094 /nfs/dbraw/zinc/13/90/94/1202139094.db2.gz YQLZKCWMCYOYAX-DHMWGJHJSA-N 0 3 375.404 0.719 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COc1ccccc1F)c1ncn[nH]1 ZINC001109861737 1202139096 /nfs/dbraw/zinc/13/90/96/1202139096.db2.gz YQLZKCWMCYOYAX-DHMWGJHJSA-N 0 3 375.404 0.719 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COc1ccccc1F)c1nc[nH]n1 ZINC001109861737 1202139098 /nfs/dbraw/zinc/13/90/98/1202139098.db2.gz YQLZKCWMCYOYAX-DHMWGJHJSA-N 0 3 375.404 0.719 20 0 GCADHN C[C@@H]1[C@H](C)N(C(=O)COCCOCC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)CCN1C ZINC000771392753 1202139420 /nfs/dbraw/zinc/13/94/20/1202139420.db2.gz AIFNHGLSSGPWDB-MHORFTMASA-N 0 3 398.548 0.122 20 0 GCADHN COCCN(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O ZINC000771435285 1202142511 /nfs/dbraw/zinc/14/25/11/1202142511.db2.gz AQAMAIMUCZFTGU-IBGZPJMESA-N 0 3 392.456 0.157 20 0 GCADHN CCCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C2 ZINC001109926211 1202151192 /nfs/dbraw/zinc/15/11/92/1202151192.db2.gz YDABVTLHHRXQPN-ILXRZTDVSA-N 0 3 380.489 0.855 20 0 GCADHN COCCCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001109949896 1202156882 /nfs/dbraw/zinc/15/68/82/1202156882.db2.gz AXXVAANYOVNQOD-OWSLCNJRSA-N 0 3 380.489 0.409 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]c1=O)CCOC3)C2 ZINC001109962344 1202160886 /nfs/dbraw/zinc/16/08/86/1202160886.db2.gz WJESGZMIVKFIMB-OMNBBPDLSA-N 0 3 377.441 0.202 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCN(CC[S@@](C)=O)CC1)c1ccccc1 ZINC000771764248 1202161373 /nfs/dbraw/zinc/16/13/73/1202161373.db2.gz XKCRFFCZPDOBKG-WXTAPIANSA-N 0 3 380.558 0.402 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC(F)F)c1cc(=O)n2[nH]cnc2n1 ZINC001109973870 1202166945 /nfs/dbraw/zinc/16/69/45/1202166945.db2.gz ZHQMOJYVOBMMCR-SCVCMEIPSA-N 0 3 382.371 0.034 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C2 ZINC001109987788 1202167998 /nfs/dbraw/zinc/16/79/98/1202167998.db2.gz KBMMBYZJVXLVRY-BDXSIMOUSA-N 0 3 375.469 0.731 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn(C)c1=O)C2 ZINC001109996689 1202172027 /nfs/dbraw/zinc/17/20/27/1202172027.db2.gz NBCPWOXZPLNUKL-FZCLSBEQSA-N 0 3 377.485 0.754 20 0 GCADHN CCCNC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O ZINC001109996509 1202172152 /nfs/dbraw/zinc/17/21/52/1202172152.db2.gz DMEZKXFATADZRG-IKGGRYGDSA-N 0 3 382.505 0.167 20 0 GCADHN O=C(Cn1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1)NC1CCCC1 ZINC000772071202 1202174215 /nfs/dbraw/zinc/17/42/15/1202174215.db2.gz RFZVPGCOEQCRKL-IAGOWNOFSA-N 0 3 375.473 0.535 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3cc[nH]c13)C2 ZINC001110034886 1202178001 /nfs/dbraw/zinc/17/80/01/1202178001.db2.gz RUTXNLYVUBIAAE-VDERGJSUSA-N 0 3 377.445 0.021 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CCn3ccnn3)cc2)CC1 ZINC000787628918 1205395735 /nfs/dbraw/zinc/39/57/35/1205395735.db2.gz MSBOWYZNXHZSEJ-UHFFFAOYSA-N 0 3 386.456 0.992 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000787673014 1205396831 /nfs/dbraw/zinc/39/68/31/1205396831.db2.gz XJTSAZWJXOEQIF-HUUCEWRRSA-N 0 3 382.505 0.818 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000787673013 1205396908 /nfs/dbraw/zinc/39/69/08/1205396908.db2.gz XJTSAZWJXOEQIF-GJZGRUSLSA-N 0 3 382.505 0.818 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N(CCO)Cc2cccnc2Cl)C1 ZINC000787667472 1205398309 /nfs/dbraw/zinc/39/83/09/1205398309.db2.gz DAJKMFDFWYAUEG-CQSZACIVSA-N 0 3 382.892 0.904 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000787668925 1205398425 /nfs/dbraw/zinc/39/84/25/1205398425.db2.gz IMYGWZLGAQNXCI-LSDHHAIUSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000787671781 1205398571 /nfs/dbraw/zinc/39/85/71/1205398571.db2.gz RECHVDNANASUOT-OLZOCXBDSA-N 0 3 392.422 0.456 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000787671780 1205398741 /nfs/dbraw/zinc/39/87/41/1205398741.db2.gz RECHVDNANASUOT-CHWSQXEVSA-N 0 3 392.422 0.456 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000787671680 1205398768 /nfs/dbraw/zinc/39/87/68/1205398768.db2.gz PBKMLTHOIOQOLE-CQSZACIVSA-N 0 3 382.505 0.818 20 0 GCADHN CN1C(=O)NC2(CCN([C@H]3CN(C(=O)OC(C)(C)C)CC[C@@]3(C)O)CC2)C1=O ZINC000787730300 1205401095 /nfs/dbraw/zinc/40/10/95/1205401095.db2.gz NIQHUDONXJLACQ-SCLBCKFNSA-N 0 3 396.488 0.763 20 0 GCADHN Cc1cc(Cl)nc(CNC(=O)C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000787904218 1205406240 /nfs/dbraw/zinc/40/62/40/1205406240.db2.gz PXSKUYQZCRYPMC-UHFFFAOYSA-N 0 3 381.908 0.803 20 0 GCADHN COc1c(C)cnc(CNC(=O)C(=O)NCCCCN2CCN(C)CC2)c1C ZINC000787908207 1205407210 /nfs/dbraw/zinc/40/72/10/1205407210.db2.gz HNITXEOGGMMNMG-UHFFFAOYSA-N 0 3 391.516 0.467 20 0 GCADHN C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000787951537 1205409491 /nfs/dbraw/zinc/40/94/91/1205409491.db2.gz IVVJBOQXKLAAEJ-HNNXBMFYSA-N 0 3 376.457 0.093 20 0 GCADHN COCCOc1ncccc1CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000787981102 1205412080 /nfs/dbraw/zinc/41/20/80/1205412080.db2.gz UNKJNGKNMJKPKR-HNNXBMFYSA-N 0 3 378.473 0.714 20 0 GCADHN CC(C)(C)SCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000788370005 1205421012 /nfs/dbraw/zinc/42/10/12/1205421012.db2.gz DJYDGGFRTVOQAE-UHFFFAOYSA-N 0 3 384.546 0.401 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCSC(C)(C)C)CC1 ZINC000788378832 1205421045 /nfs/dbraw/zinc/42/10/45/1205421045.db2.gz HMTZPTAMUHUPJV-CQSZACIVSA-N 0 3 384.546 0.399 20 0 GCADHN O=C(NCc1ccc(-n2cccn2)cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000788380451 1205421403 /nfs/dbraw/zinc/42/14/03/1205421403.db2.gz RBEZOFSDANPJNP-MSOLQXFVSA-N 0 3 383.452 0.468 20 0 GCADHN Cc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000788401039 1205422840 /nfs/dbraw/zinc/42/28/40/1205422840.db2.gz JFAWHIFSCWWRJA-JFIYKMOQSA-N 0 3 375.469 0.858 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)CCNC(=O)OCc2ccccc2)CC1 ZINC000788674413 1205427591 /nfs/dbraw/zinc/42/75/91/1205427591.db2.gz FBFVDZVQQAIGMW-UHFFFAOYSA-N 0 3 398.529 0.470 20 0 GCADHN C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000788655860 1205427965 /nfs/dbraw/zinc/42/79/65/1205427965.db2.gz BSCUNNNQLOWABL-JZXOWHBKSA-N 0 3 387.484 0.939 20 0 GCADHN COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000789061567 1205434493 /nfs/dbraw/zinc/43/44/93/1205434493.db2.gz LWWULTOYDMNXLL-AEGPPILISA-N 0 3 379.432 0.991 20 0 GCADHN O=C(NCc1cccc(N2CCOC2=O)c1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000789542337 1205442379 /nfs/dbraw/zinc/44/23/79/1205442379.db2.gz SCUCWLXXERWQRH-KRWDZBQOSA-N 0 3 386.452 0.956 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000790019954 1205454954 /nfs/dbraw/zinc/45/49/54/1205454954.db2.gz UYSVYNGIGIVIIV-UHFFFAOYSA-N 0 3 391.449 0.731 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC(c2cn[nH]c2)CC1)CN1CCN(C)CC1 ZINC000790184308 1205458029 /nfs/dbraw/zinc/45/80/29/1205458029.db2.gz JPFWSAHOCXHJEU-OAHLLOKOSA-N 0 3 376.505 0.115 20 0 GCADHN Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)no1 ZINC000790194945 1205458666 /nfs/dbraw/zinc/45/86/66/1205458666.db2.gz KTNKSDLOEOGUIT-PBHICJAKSA-N 0 3 377.489 0.646 20 0 GCADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000790196051 1205458863 /nfs/dbraw/zinc/45/88/63/1205458863.db2.gz QPRNLQBYTIMKTH-KSSFIOAISA-N 0 3 388.516 0.278 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000790193444 1205458897 /nfs/dbraw/zinc/45/88/97/1205458897.db2.gz ARKWQRLUAMULDB-HUUCEWRRSA-N 0 3 399.536 0.016 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCC[C@H]2C2OCCO2)CC1 ZINC000790208038 1205458940 /nfs/dbraw/zinc/45/89/40/1205458940.db2.gz GQQXLYGEYQVSMK-IRXDYDNUSA-N 0 3 396.532 0.130 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)CC2(C)OCCO2)CC1 ZINC000790207643 1205459019 /nfs/dbraw/zinc/45/90/19/1205459019.db2.gz BPJNVSDCZPHEGI-SJORKVTESA-N 0 3 398.548 0.282 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000790471374 1205465285 /nfs/dbraw/zinc/46/52/85/1205465285.db2.gz JZYFZYMIRZGGMI-GJZGRUSLSA-N 0 3 380.489 0.809 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000790496009 1205466370 /nfs/dbraw/zinc/46/63/70/1205466370.db2.gz XUEZXUARYBCXJY-ZNMIVQPWSA-N 0 3 396.488 0.091 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C2=NN(CCO)C(=O)CC2)c1 ZINC000791335662 1205476101 /nfs/dbraw/zinc/47/61/01/1205476101.db2.gz HELQZAJPYCDNEL-UHFFFAOYSA-N 0 3 376.457 0.556 20 0 GCADHN CC(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000747010466 1205477354 /nfs/dbraw/zinc/47/73/54/1205477354.db2.gz GLRMQRQAPXOZCY-CQSZACIVSA-N 0 3 392.456 0.618 20 0 GCADHN CCN1CCN(CCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792170753 1205484631 /nfs/dbraw/zinc/48/46/31/1205484631.db2.gz FYLHXSNRYQRWOW-UHFFFAOYSA-N 0 3 397.564 0.683 20 0 GCADHN C[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000792247810 1205485403 /nfs/dbraw/zinc/48/54/03/1205485403.db2.gz DYZKOQLNIARYBX-OAHLLOKOSA-N 0 3 397.520 0.849 20 0 GCADHN Cc1nc(Cn2cc(C(=O)OCCCN3CCN(C(C)C)CC3)nn2)no1 ZINC000792253536 1205485663 /nfs/dbraw/zinc/48/56/63/1205485663.db2.gz GSEFKFAUXKNAEI-UHFFFAOYSA-N 0 3 377.449 0.591 20 0 GCADHN CC[C@]1(NCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CCOC1 ZINC000792429533 1205487221 /nfs/dbraw/zinc/48/72/21/1205487221.db2.gz ZUXQFMOJGGUPND-OALUTQOASA-N 0 3 390.440 0.652 20 0 GCADHN CC[C@]1(NCC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)CCOC1 ZINC000792418129 1205487280 /nfs/dbraw/zinc/48/72/80/1205487280.db2.gz IWBUPHOWKZAZNR-MOPGFXCFSA-N 0 3 390.440 0.652 20 0 GCADHN CC[C@]1(NCC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)CCOC1 ZINC000792418131 1205487357 /nfs/dbraw/zinc/48/73/57/1205487357.db2.gz IWBUPHOWKZAZNR-OALUTQOASA-N 0 3 390.440 0.652 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NCC1CN(C)C1 ZINC001170259263 1205489991 /nfs/dbraw/zinc/48/99/91/1205489991.db2.gz SEPKNJYOENDIMZ-UHFFFAOYSA-N 0 3 382.530 0.995 20 0 GCADHN CC[C@H](C)N1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001170316003 1205490797 /nfs/dbraw/zinc/49/07/97/1205490797.db2.gz SPUXWFCAXPCLFC-JKSUJKDBSA-N 0 3 396.557 0.797 20 0 GCADHN CC[C@@H](C)N1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001170316002 1205490907 /nfs/dbraw/zinc/49/09/07/1205490907.db2.gz SPUXWFCAXPCLFC-HZPDHXFCSA-N 0 3 396.557 0.797 20 0 GCADHN CCOC(=O)C(C(=O)OCC)c1ccnc(-n2[n-]c(=O)c(CC[NH3+])c2C)n1 ZINC001170338652 1205491089 /nfs/dbraw/zinc/49/10/89/1205491089.db2.gz VNLGAIQIHZVOHY-UHFFFAOYSA-N 0 3 377.401 0.387 20 0 GCADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CCCO)C[C@H]2c2ccccc2)O1 ZINC001086609590 1205494260 /nfs/dbraw/zinc/49/42/60/1205494260.db2.gz NTRHKKFIKJDOPT-MANSERQUSA-N 0 3 389.496 0.589 20 0 GCADHN C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC1=O ZINC000793469842 1205498782 /nfs/dbraw/zinc/49/87/82/1205498782.db2.gz SMKPBJNICNXRED-QWHCGFSZSA-N 0 3 392.422 0.314 20 0 GCADHN O=C(NCCc1cnccn1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000793492043 1205499809 /nfs/dbraw/zinc/49/98/09/1205499809.db2.gz UYTSUACMNSTHCW-IBGZPJMESA-N 0 3 397.479 0.543 20 0 GCADHN C[C@@H](O)c1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000793640799 1205501484 /nfs/dbraw/zinc/50/14/84/1205501484.db2.gz VNWHHTVVCJOTEJ-CRAIPNDOSA-N 0 3 377.485 0.925 20 0 GCADHN C[C@@H](O)c1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000793640801 1205501754 /nfs/dbraw/zinc/50/17/54/1205501754.db2.gz VNWHHTVVCJOTEJ-QAPCUYQASA-N 0 3 377.485 0.925 20 0 GCADHN C[C@H](O)c1ccc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000793646451 1205501791 /nfs/dbraw/zinc/50/17/91/1205501791.db2.gz SZTHAAPHLRVGRU-HNNXBMFYSA-N 0 3 376.501 0.498 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000793715621 1205503389 /nfs/dbraw/zinc/50/33/89/1205503389.db2.gz IDPUZRTZBGMFDL-LSDHHAIUSA-N 0 3 383.489 0.546 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000793716667 1205503407 /nfs/dbraw/zinc/50/34/07/1205503407.db2.gz KSYYHBWERQWINI-INIZCTEOSA-N 0 3 395.525 0.957 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)N1CCCCC1 ZINC000793698486 1205504058 /nfs/dbraw/zinc/50/40/58/1205504058.db2.gz JSSBTWHWBOJPPD-NVXWUHKLSA-N 0 3 378.517 0.884 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793703590 1205504534 /nfs/dbraw/zinc/50/45/34/1205504534.db2.gz YFAMINSBGXEXIB-IAGOWNOFSA-N 0 3 395.548 0.036 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793709373 1205504888 /nfs/dbraw/zinc/50/48/88/1205504888.db2.gz LSBUOIJEUWRZGF-OLZOCXBDSA-N 0 3 392.422 0.599 20 0 GCADHN Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000793765209 1205505112 /nfs/dbraw/zinc/50/51/12/1205505112.db2.gz ARUXCENNUHVTHU-SFHVURJKSA-N 0 3 390.528 0.974 20 0 GCADHN Cc1nccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793802835 1205506446 /nfs/dbraw/zinc/50/64/46/1205506446.db2.gz ORXIANUHTUYHBB-IRXDYDNUSA-N 0 3 398.467 0.171 20 0 GCADHN C[C@H](COc1cccc(F)c1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793779941 1205506891 /nfs/dbraw/zinc/50/68/91/1205506891.db2.gz ANPPRZYVZSQEEQ-FRFSOERESA-N 0 3 379.432 0.689 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@@H]2CCCc3nc(C)ncc32)CC1 ZINC000793817340 1205507565 /nfs/dbraw/zinc/50/75/65/1205507565.db2.gz PUPCAQXKMQZONK-QGZVFWFLSA-N 0 3 375.473 0.506 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@H]2CCCc3nc(C)ncc32)CC1 ZINC000793817339 1205507634 /nfs/dbraw/zinc/50/76/34/1205507634.db2.gz PUPCAQXKMQZONK-KRWDZBQOSA-N 0 3 375.473 0.506 20 0 GCADHN CCOC(=O)N1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000793901659 1205508844 /nfs/dbraw/zinc/50/88/44/1205508844.db2.gz OEIYHXRULBKRQI-HOTGVXAUSA-N 0 3 382.505 0.914 20 0 GCADHN CN(CCNC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000793935094 1205509875 /nfs/dbraw/zinc/50/98/75/1205509875.db2.gz CXLGLWKBHZTPCY-UHFFFAOYSA-N 0 3 388.468 0.678 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CCO1 ZINC000793940107 1205510589 /nfs/dbraw/zinc/51/05/89/1205510589.db2.gz YTJUQZQINABAMU-ZFWWWQNUSA-N 0 3 398.504 0.337 20 0 GCADHN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000793938857 1205510650 /nfs/dbraw/zinc/51/06/50/1205510650.db2.gz VCMYEQHVDVYXBR-KBPBESRZSA-N 0 3 382.505 0.959 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1 ZINC000804418652 1205515171 /nfs/dbraw/zinc/51/51/71/1205515171.db2.gz SEYOWAMXSFKCRV-ZBFHGGJFSA-N 0 3 382.505 0.960 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000804424203 1205515523 /nfs/dbraw/zinc/51/55/23/1205515523.db2.gz HDLUJGFMEGARPQ-QWHCGFSZSA-N 0 3 392.422 0.599 20 0 GCADHN COCCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@@H]1n1ccnn1 ZINC001129850031 1205520802 /nfs/dbraw/zinc/52/08/02/1205520802.db2.gz LBOOUHCAMHNKMX-BDXSIMOUSA-N 0 3 386.456 0.439 20 0 GCADHN O=C(NCCN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@H]1n1ccnn1)C1CC1 ZINC001129857854 1205521310 /nfs/dbraw/zinc/52/13/10/1205521310.db2.gz HQHLNMVNOLZCNE-CGHHPOIWSA-N 0 3 398.511 0.748 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](NCCC(F)(F)F)[C@@H](n3ccnn3)C2)O1 ZINC001129912576 1205522864 /nfs/dbraw/zinc/52/28/64/1205522864.db2.gz PSHJOUFMZJYXKR-YIYPIFLZSA-N 0 3 390.410 0.291 20 0 GCADHN CN(CCN(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(=O)OC(C)(C)C ZINC000804732439 1205523959 /nfs/dbraw/zinc/52/39/59/1205523959.db2.gz NYICBFKCVPSWHP-OAHLLOKOSA-N 0 3 382.505 0.912 20 0 GCADHN Cc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cc1 ZINC000804730737 1205523963 /nfs/dbraw/zinc/52/39/63/1205523963.db2.gz ATVNCDZJOATYJD-AEFFLSMTSA-N 0 3 384.480 0.817 20 0 GCADHN Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cn1 ZINC000804730069 1205524001 /nfs/dbraw/zinc/52/40/01/1205524001.db2.gz WTSOFCGYASTCGN-RCCFBDPRSA-N 0 3 389.500 0.435 20 0 GCADHN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804729756 1205524075 /nfs/dbraw/zinc/52/40/75/1205524075.db2.gz QOHPCLLUBYADFH-LSDHHAIUSA-N 0 3 380.489 0.713 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000804731631 1205524177 /nfs/dbraw/zinc/52/41/77/1205524177.db2.gz OTMHKHZRLBFSQG-MOPGFXCFSA-N 0 3 398.507 0.894 20 0 GCADHN Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cn1 ZINC000804730068 1205524242 /nfs/dbraw/zinc/52/42/42/1205524242.db2.gz WTSOFCGYASTCGN-OKZBNKHCSA-N 0 3 389.500 0.435 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000804731829 1205524312 /nfs/dbraw/zinc/52/43/12/1205524312.db2.gz WEYDUZHAVXUYIU-CZUORRHYSA-N 0 3 380.489 0.570 20 0 GCADHN CN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000804732777 1205524375 /nfs/dbraw/zinc/52/43/75/1205524375.db2.gz ZAZPMKLGZPYWRI-MOPGFXCFSA-N 0 3 398.507 0.846 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000804731828 1205524512 /nfs/dbraw/zinc/52/45/12/1205524512.db2.gz WEYDUZHAVXUYIU-CJNGLKHVSA-N 0 3 380.489 0.570 20 0 GCADHN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804731819 1205524619 /nfs/dbraw/zinc/52/46/19/1205524619.db2.gz WBVVCLQPFMONON-AWEZNQCLSA-N 0 3 383.452 0.894 20 0 GCADHN CC(C)=CCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1n1ccnn1 ZINC001129939805 1205525182 /nfs/dbraw/zinc/52/51/82/1205525182.db2.gz XPYNVNIFQRIZTN-IECFSIQFSA-N 0 3 375.473 0.637 20 0 GCADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129930349 1205525639 /nfs/dbraw/zinc/52/56/39/1205525639.db2.gz DXUWRDSYSTUQCT-VQHPVUNQSA-N 0 3 379.505 0.965 20 0 GCADHN COC[C@]1(CNC(=O)[C@H]2CN3CCN2CCC3)CCCN1C(=O)OC(C)(C)C ZINC000804789323 1205526099 /nfs/dbraw/zinc/52/60/99/1205526099.db2.gz GRDGEMPRQJAHNW-OXQOHEQNSA-N 0 3 396.532 0.909 20 0 GCADHN CC(C)COCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1 ZINC001130014185 1205528418 /nfs/dbraw/zinc/52/84/18/1205528418.db2.gz DOEALLLVRURSRB-DZVNLGKHSA-N 0 3 377.489 0.860 20 0 GCADHN C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000805196141 1205533215 /nfs/dbraw/zinc/53/32/15/1205533215.db2.gz OJAYGUBMZRCAOP-HRAATJIYSA-N 0 3 386.496 0.846 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCCCCN2CCN(C)CC2)ccc1F ZINC000747242593 1205536181 /nfs/dbraw/zinc/53/61/81/1205536181.db2.gz IDDGHYCXQWKGMV-UHFFFAOYSA-N 0 3 387.477 0.918 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000805734929 1205543701 /nfs/dbraw/zinc/54/37/01/1205543701.db2.gz YRDZXRZWAGMUEV-LSDHHAIUSA-N 0 3 382.505 0.960 20 0 GCADHN O=C(NCc1c[nH]nc1[C@H]1CCN(CCOCCO)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001130428298 1205545857 /nfs/dbraw/zinc/54/58/57/1205545857.db2.gz WNUPBVSHJNFXCA-SVGFKBNWSA-N 0 3 378.473 0.392 20 0 GCADHN C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000806205418 1205551414 /nfs/dbraw/zinc/55/14/14/1205551414.db2.gz XVKAMKUNTRNVBX-HNNXBMFYSA-N 0 3 396.557 0.543 20 0 GCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000806240231 1205552471 /nfs/dbraw/zinc/55/24/71/1205552471.db2.gz VDTJURXWWYBWFB-MAUKXSAKSA-N 0 3 389.500 0.848 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1 ZINC000806329280 1205554424 /nfs/dbraw/zinc/55/44/24/1205554424.db2.gz PPWJFPUTIMZECA-ZBFHGGJFSA-N 0 3 382.505 0.960 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1 ZINC000806329277 1205554437 /nfs/dbraw/zinc/55/44/37/1205554437.db2.gz PPWJFPUTIMZECA-GDBMZVCRSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)NC2COC(C)(C)OC2)CC1 ZINC000806655590 1205560533 /nfs/dbraw/zinc/56/05/33/1205560533.db2.gz DPUCOHWRUWMZMV-CQSZACIVSA-N 0 3 390.484 0.991 20 0 GCADHN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c(C)c12 ZINC000747341671 1205560962 /nfs/dbraw/zinc/56/09/62/1205560962.db2.gz GYJBQUBEELGRKV-CABCVRRESA-N 0 3 387.484 0.790 20 0 GCADHN CCCN(CCN1CCCCC1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000806644414 1205561275 /nfs/dbraw/zinc/56/12/75/1205561275.db2.gz UYJZUAGAQXYYSU-UHFFFAOYSA-N 0 3 390.550 0.556 20 0 GCADHN Cn1ccnc1[C@](O)(CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(F)(F)F ZINC000747343764 1205561467 /nfs/dbraw/zinc/56/14/67/1205561467.db2.gz SRJGAWRGWKZWQW-LALPHHSUSA-N 0 3 376.379 0.540 20 0 GCADHN O=C(NC[C@H]1COC2(CCOCC2)O1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000806712141 1205564619 /nfs/dbraw/zinc/56/46/19/1205564619.db2.gz BJGXKIKINDBIOZ-CVEARBPZSA-N 0 3 381.473 0.112 20 0 GCADHN C[C@]1(C[C@@H]2CCCN2C(=O)NC[C@H]2CN3CCC[C@H]3CO2)NC(=O)NC1=O ZINC000806736469 1205565957 /nfs/dbraw/zinc/56/59/57/1205565957.db2.gz KOMHXMMABIWZGO-WZTLGTBRSA-N 0 3 379.461 0.012 20 0 GCADHN C[C@]1(C[C@@H]2CCCN2C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)NC(=O)NC1=O ZINC000806736465 1205566062 /nfs/dbraw/zinc/56/60/62/1205566062.db2.gz KOMHXMMABIWZGO-UYAYXHRUSA-N 0 3 379.461 0.012 20 0 GCADHN Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)no1 ZINC000806788606 1205567319 /nfs/dbraw/zinc/56/73/19/1205567319.db2.gz WMOIPSRWYCBEBB-INIZCTEOSA-N 0 3 377.489 0.789 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806792199 1205567439 /nfs/dbraw/zinc/56/74/39/1205567439.db2.gz KTPJVCILGGFROU-CYBMUJFWSA-N 0 3 392.422 0.552 20 0 GCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c1 ZINC000806918954 1205569117 /nfs/dbraw/zinc/56/91/17/1205569117.db2.gz KCYYGWVFZQUPOQ-AWEZNQCLSA-N 0 3 376.457 0.602 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCC[C@H]2C)ccc1F ZINC000806918471 1205569186 /nfs/dbraw/zinc/56/91/86/1205569186.db2.gz AOVHQVAMVMRPFU-LLVKDONJSA-N 0 3 386.449 0.273 20 0 GCADHN O=C(NCCOC1CCC1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000807163617 1205576196 /nfs/dbraw/zinc/57/61/96/1205576196.db2.gz BYBSBPKYUKOKMA-UHFFFAOYSA-N 0 3 389.496 0.945 20 0 GCADHN CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000807130704 1205576528 /nfs/dbraw/zinc/57/65/28/1205576528.db2.gz KZABXSRRISBRIR-MOPGFXCFSA-N 0 3 391.512 0.930 20 0 GCADHN COc1cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)c(C(=O)N(C)C)cc1OC ZINC000807461162 1205582186 /nfs/dbraw/zinc/58/21/86/1205582186.db2.gz QXZJIYYJCDLDCA-NSHDSACASA-N 0 3 380.445 0.410 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000807828689 1205591995 /nfs/dbraw/zinc/59/19/95/1205591995.db2.gz BQTFMBNEVPCODP-GOEBONIOSA-N 0 3 380.489 0.666 20 0 GCADHN CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NC[C@H]2CCCN2CC)CC1 ZINC000807828936 1205592167 /nfs/dbraw/zinc/59/21/67/1205592167.db2.gz SKGQHHXUJUJGDA-GDBMZVCRSA-N 0 3 382.505 0.960 20 0 GCADHN CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)NC[C@@H]2CCCN2CC)CC1 ZINC000807828938 1205592205 /nfs/dbraw/zinc/59/22/05/1205592205.db2.gz SKGQHHXUJUJGDA-HOCLYGCPSA-N 0 3 382.505 0.960 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000807834240 1205592838 /nfs/dbraw/zinc/59/28/38/1205592838.db2.gz JRVVTPMVIVXJOF-HNNXBMFYSA-N 0 3 382.505 0.912 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000807835384 1205593034 /nfs/dbraw/zinc/59/30/34/1205593034.db2.gz WZGQTVVDXQGIMR-UONOGXRCSA-N 0 3 380.489 0.736 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000807835383 1205593046 /nfs/dbraw/zinc/59/30/46/1205593046.db2.gz WZGQTVVDXQGIMR-KGLIPLIRSA-N 0 3 380.489 0.736 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCc1ccnn1C ZINC000808020913 1205597013 /nfs/dbraw/zinc/59/70/13/1205597013.db2.gz SJKGEFMYQOSFTG-UHFFFAOYSA-N 0 3 375.448 0.808 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000808175305 1205600994 /nfs/dbraw/zinc/60/09/94/1205600994.db2.gz ZPMSVDQLJXGJQW-YESZJQIVSA-N 0 3 386.452 0.617 20 0 GCADHN O=C(OCC(F)(F)F)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000808161759 1205601155 /nfs/dbraw/zinc/60/11/55/1205601155.db2.gz YPFPQXBLPVJOBL-AGIUHOORSA-N 0 3 379.379 0.817 20 0 GCADHN CN(Cc1nncn1C)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000808215204 1205602065 /nfs/dbraw/zinc/60/20/65/1205602065.db2.gz KCMFQQJFGHFIBA-HXUWFJFHSA-N 0 3 397.483 0.791 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000808218994 1205602348 /nfs/dbraw/zinc/60/23/48/1205602348.db2.gz YTGNRKSSIUKTQP-SFHVURJKSA-N 0 3 386.496 0.846 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1=O ZINC000808270684 1205604946 /nfs/dbraw/zinc/60/49/46/1205604946.db2.gz YKTREUUQHUVXTK-NBUZRDOWSA-N 0 3 389.452 0.724 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1=O ZINC000808270371 1205604955 /nfs/dbraw/zinc/60/49/55/1205604955.db2.gz VWTWXKHFVIOYFR-WMZOPIPTSA-N 0 3 388.468 0.475 20 0 GCADHN COC(=O)[C@@H]1CC[C@H](N2Cc3nccn3C[C@@H](CN3CCN(C)CC3)C2)C1 ZINC001170550978 1205606600 /nfs/dbraw/zinc/60/66/00/1205606600.db2.gz QCOHMLOSDIAXNA-KURKYZTESA-N 0 3 375.517 0.904 20 0 GCADHN CC(C)NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001131503327 1205613391 /nfs/dbraw/zinc/61/33/91/1205613391.db2.gz YLLYQRJAFJRZFZ-WQDJSCAQSA-N 0 3 379.501 0.533 20 0 GCADHN CCCCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001131502793 1205613414 /nfs/dbraw/zinc/61/34/14/1205613414.db2.gz KWFSEIJANYWPMU-NZGUISNBSA-N 0 3 393.528 0.925 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)OC3)CC1 ZINC000808922686 1205614334 /nfs/dbraw/zinc/61/43/34/1205614334.db2.gz XPFQZQKVBJGNFP-CQSZACIVSA-N 0 3 388.468 0.685 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCC3(C2)OCCO3)CC1 ZINC000808933035 1205614660 /nfs/dbraw/zinc/61/46/60/1205614660.db2.gz FADHXXXEGSLKIX-HNNXBMFYSA-N 0 3 388.468 0.699 20 0 GCADHN COCc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001131516586 1205615344 /nfs/dbraw/zinc/61/53/44/1205615344.db2.gz IJDBNPXJUYCFTE-GJNTUIEKSA-N 0 3 387.480 0.578 20 0 GCADHN Cc1cccc(OCCNC(=O)CNCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001131524635 1205617236 /nfs/dbraw/zinc/61/72/36/1205617236.db2.gz LLQQZOCGDVZFAK-GJNTUIEKSA-N 0 3 387.480 0.619 20 0 GCADHN C[C@H](Nc1ncc(C(=O)N2CCC[C@H]2C(N)=O)cc1Cl)[C@@H]1CNCCO1 ZINC001170574462 1205620538 /nfs/dbraw/zinc/62/05/38/1205620538.db2.gz WFYXHTGNCNVYCM-BPNCWPANSA-N 0 3 381.864 0.614 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCc1ccc(F)cc1 ZINC001131640952 1205621286 /nfs/dbraw/zinc/62/12/86/1205621286.db2.gz BSXSOFKEXZJIAC-QILLFSRXSA-N 0 3 379.432 0.199 20 0 GCADHN Cc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)s1 ZINC001131645045 1205621836 /nfs/dbraw/zinc/62/18/36/1205621836.db2.gz OCYAGMUVVMLEQT-JLJPHGGASA-N 0 3 381.498 0.430 20 0 GCADHN C[C@H](NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NCC1CCCCC1 ZINC001131647720 1205622508 /nfs/dbraw/zinc/62/25/08/1205622508.db2.gz CCBHCRBFZKZLHP-LEUOFYLZSA-N 0 3 381.517 0.829 20 0 GCADHN C[C@@H](NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NCc1cccs1 ZINC001131648428 1205622666 /nfs/dbraw/zinc/62/26/66/1205622666.db2.gz XAGKGSCTBYPFGB-BFJAYTPKSA-N 0 3 381.498 0.510 20 0 GCADHN C[C@H](NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C)[C@@H]1CN(C)CCO1 ZINC000809440161 1205624844 /nfs/dbraw/zinc/62/48/44/1205624844.db2.gz DZCNEVZKLPAPRS-HKUYNNGSSA-N 0 3 390.528 0.455 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C)[C@@H]1CN(C)CCO1 ZINC000809440166 1205624875 /nfs/dbraw/zinc/62/48/75/1205624875.db2.gz DZCNEVZKLPAPRS-MJGOQNOKSA-N 0 3 390.528 0.455 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1)C1=CCN(C)CC1 ZINC000809706528 1205628890 /nfs/dbraw/zinc/62/88/90/1205628890.db2.gz BPBDUOYQVROXNH-WBAXXEDZSA-N 0 3 389.500 0.601 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809942702 1205631738 /nfs/dbraw/zinc/63/17/38/1205631738.db2.gz MUAXWSYKLLBIRH-LJQANCHMSA-N 0 3 386.537 0.748 20 0 GCADHN COC(=O)c1cn([C@@H]2CCN(C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)nn1 ZINC000809977658 1205632338 /nfs/dbraw/zinc/63/23/38/1205632338.db2.gz ONRZLNJJPIXRQO-PXAZEXFGSA-N 0 3 383.449 0.587 20 0 GCADHN Cn1nncc1NC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000810349167 1205635939 /nfs/dbraw/zinc/63/59/39/1205635939.db2.gz KBCVRMIIXUKGMS-UHFFFAOYSA-N 0 3 385.472 0.472 20 0 GCADHN Cn1nncc1NC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000810347321 1205636019 /nfs/dbraw/zinc/63/60/19/1205636019.db2.gz AFKDGLAQYZIUTB-MRXNPFEDSA-N 0 3 385.472 0.249 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2cnnn2C)CC1 ZINC000810348562 1205636170 /nfs/dbraw/zinc/63/61/70/1205636170.db2.gz XMPICUIRDNVAHU-UHFFFAOYSA-N 0 3 385.472 0.208 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](NC2(C(N)=O)CCOCC2)CN1C(=O)OC(C)(C)C ZINC001170612299 1205640586 /nfs/dbraw/zinc/64/05/86/1205640586.db2.gz FPBXOQBNZQAPTC-KBPBESRZSA-N 0 3 399.488 0.942 20 0 GCADHN COc1cncc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)n1 ZINC001086698582 1205658106 /nfs/dbraw/zinc/65/81/06/1205658106.db2.gz NPEKGFUPGLYGRC-HLPPOEQASA-N 0 3 375.473 0.774 20 0 GCADHN CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C2 ZINC001110103238 1205658290 /nfs/dbraw/zinc/65/82/90/1205658290.db2.gz KRKWJYZSPGWJFP-KBMXLJTQSA-N 0 3 378.473 0.884 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC(=O)Nc1ccccc1F ZINC001134102646 1205687218 /nfs/dbraw/zinc/68/72/18/1205687218.db2.gz UVGCXLWYZZEQPZ-JMSVASOKSA-N 0 3 378.404 0.747 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC(=O)NCc1cccs1 ZINC001134117702 1205687642 /nfs/dbraw/zinc/68/76/42/1205687642.db2.gz UNNFXTHZSHBCSF-BNOWGMLFSA-N 0 3 380.470 0.347 20 0 GCADHN CN(Cc1ccccc1S(N)(=O)=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000814296629 1205689718 /nfs/dbraw/zinc/68/97/18/1205689718.db2.gz ILPYGSVSAKNNKV-CABCVRRESA-N 0 3 382.486 0.339 20 0 GCADHN CC(C)(C)OC(=O)N1CCN(CCN2CCC[C@@H](n3cc(CO)nn3)C2)CC1 ZINC000815142527 1205698747 /nfs/dbraw/zinc/69/87/47/1205698747.db2.gz VHDPISHKXJRNKR-QGZVFWFLSA-N 0 3 394.520 0.960 20 0 GCADHN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000815286506 1205702113 /nfs/dbraw/zinc/70/21/13/1205702113.db2.gz NOBMCGTWHZDHMD-MSOLQXFVSA-N 0 3 385.530 0.954 20 0 GCADHN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000815286509 1205702338 /nfs/dbraw/zinc/70/23/38/1205702338.db2.gz NOBMCGTWHZDHMD-ZWKOTPCHSA-N 0 3 385.530 0.954 20 0 GCADHN Cn1c2[nH]c(COC(=O)[C@H]3CCCCN3C3CCCC3)nc2c(=O)n(C)c1=O ZINC000815447531 1205703870 /nfs/dbraw/zinc/70/38/70/1205703870.db2.gz UDUYEVMUUPIHQF-CYBMUJFWSA-N 0 3 389.456 0.801 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](C(=O)OC)CN([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1 ZINC001171713165 1205709229 /nfs/dbraw/zinc/70/92/29/1205709229.db2.gz GJFGZFCSJGEAKH-UPJWGTAASA-N 0 3 384.429 0.807 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](C(=O)OC)CN([C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1 ZINC001171713164 1205709319 /nfs/dbraw/zinc/70/93/19/1205709319.db2.gz GJFGZFCSJGEAKH-JHJVBQTASA-N 0 3 384.429 0.807 20 0 GCADHN C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001171942765 1205710693 /nfs/dbraw/zinc/71/06/93/1205710693.db2.gz LYKUIRCUMBJEAG-TUKIKUTGSA-N 0 3 396.875 0.084 20 0 GCADHN CCN1CC[C@@H](NCC(=O)NC[C@@H](O)c2cc(OC)ccc2OC)CC1=O ZINC001172033727 1205711927 /nfs/dbraw/zinc/71/19/27/1205711927.db2.gz SJXJNMUNFJPJHY-CZUORRHYSA-N 0 3 379.457 0.454 20 0 GCADHN CCN1CC[C@@H](NCC(=O)NC[C@H](O)c2cc(OC)ccc2OC)CC1=O ZINC001172033726 1205712126 /nfs/dbraw/zinc/71/21/26/1205712126.db2.gz SJXJNMUNFJPJHY-CJNGLKHVSA-N 0 3 379.457 0.454 20 0 GCADHN CN(C)c1ncc2c(n1)[C@H]1CN(C3C[C@H]4CC[C@@H](C3)O4)C[C@H]1S(=O)(=O)C2 ZINC001172224682 1205714345 /nfs/dbraw/zinc/71/43/45/1205714345.db2.gz LVZLZTGRWWRGKZ-GWONACJQSA-N 0 3 378.498 0.949 20 0 GCADHN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N[C@@H]2CC[C@@H](c3ccccc3)C2)c(=O)[nH]1 ZINC001172555429 1205716093 /nfs/dbraw/zinc/71/60/93/1205716093.db2.gz ICHOHACUTZXARD-BNKGTRELSA-N 0 3 387.436 0.494 20 0 GCADHN COC(=O)[C@@H]1CCC[C@H](NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001172610231 1205716292 /nfs/dbraw/zinc/71/62/92/1205716292.db2.gz IZEKBDLYWNWYII-YCPHGPKFSA-N 0 3 377.441 0.226 20 0 GCADHN COC(=O)[C@H]1CCC[C@@H](N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001172614837 1205716548 /nfs/dbraw/zinc/71/65/48/1205716548.db2.gz YTVHETLNAASMAV-LLLHUVSDSA-N 0 3 375.469 0.909 20 0 GCADHN CC(C)(C)OC(=O)[C@@H]1C[C@H](NS(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001172691236 1205716783 /nfs/dbraw/zinc/71/67/83/1205716783.db2.gz MLJZNTKGMAQHFF-RYUDHWBXSA-N 0 3 393.506 0.584 20 0 GCADHN COC(=O)N1CCC(N2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001172737652 1205716929 /nfs/dbraw/zinc/71/69/29/1205716929.db2.gz KYMHMFQFIXRVHG-FVQBIDKESA-N 0 3 375.429 0.136 20 0 GCADHN COc1cccc2c1C[C@@H](N1C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C1)CO2 ZINC001173166066 1205718719 /nfs/dbraw/zinc/71/87/19/1205718719.db2.gz KKDKHIBCCHBCSX-WBVHZDCISA-N 0 3 387.480 0.867 20 0 GCADHN C[C@H](CC(c1ccccc1)c1ccccc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001173209856 1205718999 /nfs/dbraw/zinc/71/89/99/1205718999.db2.gz GUMDYAGXNVNEQY-MGOVIWOVSA-N 0 3 387.476 0.987 20 0 GCADHN CCN1CC[C@@H](N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001173355421 1205720032 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377.441 0.705 20 0 GCADHN O=C(CC1CC(=O)NC(=O)C1)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001182179720 1205858434 /nfs/dbraw/zinc/85/84/34/1205858434.db2.gz MNTKJFJUKRFJQV-UHFFFAOYSA-N 0 3 378.473 0.022 20 0 GCADHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)NC2(CO)CCN(C)CC2)C1 ZINC001182313848 1205863586 /nfs/dbraw/zinc/86/35/86/1205863586.db2.gz DCENKLOFULARPH-MRXNPFEDSA-N 0 3 398.548 0.891 20 0 GCADHN O=C(Cn1cccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001110280329 1205865049 /nfs/dbraw/zinc/86/50/49/1205865049.db2.gz WGTUOOVXRXYNML-RQJABVFESA-N 0 3 376.379 0.544 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccnc2Cl)CC1 ZINC000774212539 1205865340 /nfs/dbraw/zinc/86/53/40/1205865340.db2.gz HIIACJXJKYIOPO-UHFFFAOYSA-N 0 3 379.848 0.440 20 0 GCADHN CCOC(=O)N[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)CC(C)C ZINC000774179480 1205865495 /nfs/dbraw/zinc/86/54/95/1205865495.db2.gz PLXPKGOYWFDUSJ-OAGGEKHMSA-N 0 3 382.505 0.959 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)c(Cl)n1 ZINC000774250039 1205867118 /nfs/dbraw/zinc/86/71/18/1205867118.db2.gz CPJYIVJREJGHOT-UHFFFAOYSA-N 0 3 383.880 0.826 20 0 GCADHN CN(C)C(=O)CN1CCCC2(CCN(C(=O)[C@H]3CSCC(=O)N3)CC2)C1 ZINC001273474869 1205867857 /nfs/dbraw/zinc/86/78/57/1205867857.db2.gz UGHPZVYBLYTCIN-CQSZACIVSA-N 0 3 382.530 0.011 20 0 GCADHN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]1CCCN1CC1CC1)C2 ZINC001182555897 1205875745 /nfs/dbraw/zinc/87/57/45/1205875745.db2.gz DVRCZFPNPSPXIG-RXVVDRJESA-N 0 3 393.528 0.973 20 0 GCADHN NC[C@@H](NC(=O)[C@H]1CCNC1=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001183027694 1205885470 /nfs/dbraw/zinc/88/54/70/1205885470.db2.gz VUVZMKNKNBUHAM-PKOBYXMFSA-N 0 3 393.443 0.922 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)NC(C)(C)C)CC1)C2=O ZINC000774569673 1205887168 /nfs/dbraw/zinc/88/71/68/1205887168.db2.gz MTDWNPTVILJZKQ-UHFFFAOYSA-N 0 3 380.493 0.086 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)NC3(CCO)COC3)CC2)C1 ZINC001183158373 1205888826 /nfs/dbraw/zinc/88/88/26/1205888826.db2.gz QDMQWASOXPIIIN-MRXNPFEDSA-N 0 3 397.516 0.975 20 0 GCADHN CC(C)[C@H](C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21)N(C)C ZINC001183359138 1205891279 /nfs/dbraw/zinc/89/12/79/1205891279.db2.gz AJFAZJOCVALVLH-VDHUWJSZSA-N 0 3 389.500 0.799 20 0 GCADHN CC(C)[C@H](C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1)N(C)C ZINC001183359994 1205891316 /nfs/dbraw/zinc/89/13/16/1205891316.db2.gz MPCBJUDYEASIEE-GOSISDBHSA-N 0 3 390.532 0.279 20 0 GCADHN CC(C)C(=O)N1CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001183362108 1205891427 /nfs/dbraw/zinc/89/14/27/1205891427.db2.gz FRQAAJXRXFWEHO-YLJYHZDGSA-N 0 3 380.533 0.938 20 0 GCADHN Cn1ccnc1[C@](O)(CC(=O)N[C@H]1CCCN(CCCO)C1)C(F)(F)F ZINC001183486963 1205892485 /nfs/dbraw/zinc/89/24/85/1205892485.db2.gz QXEYTKZXZKYILS-SWLSCSKDSA-N 0 3 378.395 0.523 20 0 GCADHN CC(C)N(C(=O)Cn1cc(F)c(=O)[n-]c1=O)c1ncnc2c1CC[NH2+]CC2 ZINC001183653236 1205896763 /nfs/dbraw/zinc/89/67/63/1205896763.db2.gz CZCAGKYFIDGZBY-UHFFFAOYSA-N 0 3 376.392 0.008 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000774667475 1205897807 /nfs/dbraw/zinc/89/78/07/1205897807.db2.gz GQDAMHNUBROUKF-CABCVRRESA-N 0 3 377.441 0.299 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@H](O)Cc1ccc(O)cc1)CC2 ZINC001183897982 1205902070 /nfs/dbraw/zinc/90/20/70/1205902070.db2.gz SNQCZYRURQIJNY-QGZVFWFLSA-N 0 3 375.469 0.499 20 0 GCADHN C[C@@H]1NC(=O)[C@H](CCC(=O)NCC2CCN(Cc3ccncc3)CC2)NC1=O ZINC001184101473 1205904966 /nfs/dbraw/zinc/90/49/66/1205904966.db2.gz LSUYWPKBBFEVTH-YOEHRIQHSA-N 0 3 387.484 0.193 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@@H](O)Cc1cccc(F)c1)CC2 ZINC001184150810 1205905386 /nfs/dbraw/zinc/90/53/86/1205905386.db2.gz KAQIBMDFAZXQRB-KRWDZBQOSA-N 0 3 377.460 0.932 20 0 GCADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NC(=O)NC1CCCC1 ZINC001184424871 1205910587 /nfs/dbraw/zinc/91/05/87/1205910587.db2.gz OVPVUXQDZDUMSC-NTCWUJLTSA-N 0 3 390.484 0.369 20 0 GCADHN CN1CCN(C)[C@@H](C(=O)N(c2nc(N3CCCC3)nc3c2CNCC3)C2CC2)C1 ZINC001185250459 1205918791 /nfs/dbraw/zinc/91/87/91/1205918791.db2.gz GQHRRUHVNUICKW-GOSISDBHSA-N 0 3 399.543 0.464 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccs1 ZINC000774853024 1205920983 /nfs/dbraw/zinc/92/09/83/1205920983.db2.gz GILADBXISDJWCS-RBSFLKMASA-N 0 3 380.514 0.446 20 0 GCADHN O=C(NC[C@@H](c1ccco1)N1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000774865216 1205921885 /nfs/dbraw/zinc/92/18/85/1205921885.db2.gz HNQCGWXNFIGLRD-BBWFWOEESA-N 0 3 390.484 0.512 20 0 GCADHN CC(C)(C)OC(=O)N1CC(=O)CC[C@@H]1C(=O)N(c1ncccn1)C1CNC1 ZINC001185505624 1205923113 /nfs/dbraw/zinc/92/31/13/1205923113.db2.gz KLASARIXYGPFKB-CQSZACIVSA-N 0 3 375.429 0.750 20 0 GCADHN C[C@@H](C(=O)N1CCC2(CCCN(S(=O)(=O)N(C)C)C2)CC1)N1CCCC1 ZINC001273505284 1205924509 /nfs/dbraw/zinc/92/45/09/1205924509.db2.gz ZGFWQXNAGYXTFZ-INIZCTEOSA-N 0 3 386.562 0.982 20 0 GCADHN C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)NCC(F)(F)F)N1CCCC1 ZINC001273505316 1205924631 /nfs/dbraw/zinc/92/46/31/1205924631.db2.gz ZSUXECYAQWNMBH-UPJWGTAASA-N 0 3 378.395 0.654 20 0 GCADHN C[C@@H](C(=O)N1CC2(C1)CCN(S(=O)(=O)c1cn(C)cn1)C2)N1CCCC1 ZINC001273505223 1205924644 /nfs/dbraw/zinc/92/46/44/1205924644.db2.gz XSPHZJBKLCIVFC-AWEZNQCLSA-N 0 3 381.502 0.127 20 0 GCADHN COC(=O)CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185584921 1205924847 /nfs/dbraw/zinc/92/48/47/1205924847.db2.gz YEEVHIPJRJJWMB-UHFFFAOYSA-N 0 3 396.473 0.372 20 0 GCADHN COC(=O)CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185584921 1205924849 /nfs/dbraw/zinc/92/48/49/1205924849.db2.gz YEEVHIPJRJJWMB-UHFFFAOYSA-N 0 3 396.473 0.372 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N(C)Cc1nnc2ccccn21)Cc1ccccc1 ZINC000774916404 1205927971 /nfs/dbraw/zinc/92/79/71/1205927971.db2.gz CFOPIBNCYAZTLC-QGZVFWFLSA-N 0 3 394.479 0.977 20 0 GCADHN COCCN1CCO[C@@H]2CN(S(=O)(=O)c3ccc4n[nH]cc4c3)CC[C@@H]2C1 ZINC001185970743 1205932896 /nfs/dbraw/zinc/93/28/96/1205932896.db2.gz IWNFEZFGBAWKJA-RDTXWAMCSA-N 0 3 394.497 0.921 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)c1ccc(OCC(N)=O)cc1)CC2 ZINC001186052118 1205934484 /nfs/dbraw/zinc/93/44/84/1205934484.db2.gz TYLNGVAKKOMQDU-UHFFFAOYSA-N 0 3 388.468 0.367 20 0 GCADHN Cc1cc2n[nH]cc2cc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC001186279329 1205937224 /nfs/dbraw/zinc/93/72/24/1205937224.db2.gz VWXVTUHIGXINBV-CYBMUJFWSA-N 0 3 379.486 0.737 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001186277821 1205937318 /nfs/dbraw/zinc/93/73/18/1205937318.db2.gz HRRCNBTXQSENHJ-LSDHHAIUSA-N 0 3 397.497 0.333 20 0 GCADHN CCN(CCN[C@H](C)C(=O)NC(=O)NCC(C)C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001273521712 1205940197 /nfs/dbraw/zinc/94/01/97/1205940197.db2.gz QCWDQFIXYFCSLV-JHMPBIJASA-N 0 3 394.516 0.718 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]3CCO[C@@H]32)CC1 ZINC001186500050 1205940742 /nfs/dbraw/zinc/94/07/42/1205940742.db2.gz AYYPXRVDNBCLMU-OAGGEKHMSA-N 0 3 397.516 0.831 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001186576850 1205942182 /nfs/dbraw/zinc/94/21/82/1205942182.db2.gz LTGPJHPCPPHYMO-CABCVRRESA-N 0 3 398.504 0.291 20 0 GCADHN COC(=O)c1ncccc1S(=O)(=O)NCC1(N2CCCC2)CCOCC1 ZINC001186697548 1205945699 /nfs/dbraw/zinc/94/56/99/1205945699.db2.gz NZISYJUGEVGFMW-UHFFFAOYSA-N 0 3 383.470 0.792 20 0 GCADHN COCCN(C)CCN1C[C@@H](Nc2nc(Cl)nc3[nH]c(=O)[nH]c32)CC1=O ZINC001186757241 1205946914 /nfs/dbraw/zinc/94/69/14/1205946914.db2.gz OOZSEKYZKUDNTO-VIFPVBQESA-N 0 3 383.840 0.303 20 0 GCADHN CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCN2CCCN(C)CC2)C1 ZINC001186805996 1205947682 /nfs/dbraw/zinc/94/76/82/1205947682.db2.gz KOFHVDNHOZONGV-UZLBHIALSA-N 0 3 395.500 0.248 20 0 GCADHN CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCCN2CCCN(C)CC2)C1 ZINC001186805987 1205947713 /nfs/dbraw/zinc/94/77/13/1205947713.db2.gz KOFHVDNHOZONGV-JXFKEZNVSA-N 0 3 395.500 0.248 20 0 GCADHN CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)N(c2ncccn2)C2CNC2)C1 ZINC001186795160 1205948834 /nfs/dbraw/zinc/94/88/34/1205948834.db2.gz JFSZQLMAAUSHLM-AUUYWEPGSA-N 0 3 388.424 0.289 20 0 GCADHN COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3-c3nnn[n-]3)CC[C@@H]2C1 ZINC001186992417 1205954094 /nfs/dbraw/zinc/95/40/94/1205954094.db2.gz OVRHADBMAZZDOS-RHSMWYFYSA-N 0 3 386.456 0.676 20 0 GCADHN COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3-c3nnn[n-]3)CC[C@@H]2C1 ZINC001186992417 1205954096 /nfs/dbraw/zinc/95/40/96/1205954096.db2.gz OVRHADBMAZZDOS-RHSMWYFYSA-N 0 3 386.456 0.676 20 0 GCADHN COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3-c3nn[n-]n3)CC[C@@H]2C1 ZINC001186992417 1205954098 /nfs/dbraw/zinc/95/40/98/1205954098.db2.gz OVRHADBMAZZDOS-RHSMWYFYSA-N 0 3 386.456 0.676 20 0 GCADHN COCC[N@H+]1CCO[C@@H]2CN(C(=O)c3ccccc3-c3nn[n-]n3)CC[C@@H]2C1 ZINC001186992417 1205954100 /nfs/dbraw/zinc/95/41/00/1205954100.db2.gz OVRHADBMAZZDOS-RHSMWYFYSA-N 0 3 386.456 0.676 20 0 GCADHN CN(C)Cc1ccc(C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)cc1 ZINC001187279477 1205958863 /nfs/dbraw/zinc/95/88/63/1205958863.db2.gz MCGKHTUUBWJOIY-UHFFFAOYSA-N 0 3 398.467 0.834 20 0 GCADHN Cc1nc2ccccc2n1CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000775109416 1205959412 /nfs/dbraw/zinc/95/94/12/1205959412.db2.gz UALLCPMWVYYUOQ-SJORKVTESA-N 0 3 399.495 0.830 20 0 GCADHN CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NC2(CO)CCN(C)CC2)C1 ZINC001187410103 1205962211 /nfs/dbraw/zinc/96/22/11/1205962211.db2.gz XQXJMHANCBAWJB-GJZGRUSLSA-N 0 3 385.505 0.974 20 0 GCADHN CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC2(CO)CCN(C)CC2)C1 ZINC001187410105 1205962368 /nfs/dbraw/zinc/96/23/68/1205962368.db2.gz XQXJMHANCBAWJB-LSDHHAIUSA-N 0 3 385.505 0.974 20 0 GCADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(S(=O)(=O)c4c[nH]cn4)C3)O2)CC1 ZINC001187746846 1205968602 /nfs/dbraw/zinc/96/86/02/1205968602.db2.gz BQJBCPQNIRYFQD-NVXWUHKLSA-N 0 3 383.518 0.359 20 0 GCADHN CC(C)N1CCN(CCNS(=O)(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC001188552000 1205985562 /nfs/dbraw/zinc/98/55/62/1205985562.db2.gz YAEXRATZFSDLAB-UHFFFAOYSA-N 0 3 397.545 0.223 20 0 GCADHN COc1cc(OC)nc(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC001189236806 1206000851 /nfs/dbraw/zinc/00/08/51/1206000851.db2.gz UZAKNJSKEXZVSI-UHFFFAOYSA-N 0 3 391.472 0.701 20 0 GCADHN Cc1cc(CN2CCC3(C2)CCN(C(=O)CCS(N)(=O)=O)CC3)n(C)n1 ZINC001273580831 1206004624 /nfs/dbraw/zinc/00/46/24/1206004624.db2.gz ISGVRSGDVOBYPN-UHFFFAOYSA-N 0 3 383.518 0.222 20 0 GCADHN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC[C@H]2CCOC2)c1C ZINC001110408302 1206005496 /nfs/dbraw/zinc/00/54/96/1206005496.db2.gz ZJNCDYMOOQIINE-FPCVCCKLSA-N 0 3 375.473 0.514 20 0 GCADHN Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC[C@H]2CCCO2)c1C ZINC001110409870 1206009356 /nfs/dbraw/zinc/00/93/56/1206009356.db2.gz PDWKGCAZRUVAPN-FPCVCCKLSA-N 0 3 375.473 0.657 20 0 GCADHN CN(C)CCN1CC[C@]2(CCN(C(=O)c3ncc(Br)cn3)C2)C1=O ZINC001273586781 1206015375 /nfs/dbraw/zinc/01/53/75/1206015375.db2.gz VZQDZFWGCSXLMX-MRXNPFEDSA-N 0 3 396.289 0.865 20 0 GCADHN CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001273586788 1206015478 /nfs/dbraw/zinc/01/54/78/1206015478.db2.gz WHLLQBZTIDCKOR-AVGNSLFASA-N 0 3 378.395 0.384 20 0 GCADHN CN(C)c1ncc(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)cn1 ZINC001189843637 1206019822 /nfs/dbraw/zinc/01/98/22/1206019822.db2.gz IAWKAGDKXOOYLZ-UHFFFAOYSA-N 0 3 393.455 0.869 20 0 GCADHN CCn1nc(C(=O)N2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)cc1C ZINC001190110786 1206027013 /nfs/dbraw/zinc/02/70/13/1206027013.db2.gz OJKYQSMCERNYTG-UHFFFAOYSA-N 0 3 390.532 0.522 20 0 GCADHN COc1ccc(C(=O)n2ccc(=NCCN3CCOCC3)c(N)c2)c(OC)n1 ZINC001190241018 1206031490 /nfs/dbraw/zinc/03/14/90/1206031490.db2.gz LUIGWQLWCRPHAT-UHFFFAOYSA-N 0 3 387.440 0.404 20 0 GCADHN COC(=O)[C@H](C)NC(=O)N[C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001190557952 1206038211 /nfs/dbraw/zinc/03/82/11/1206038211.db2.gz KGPLNKINWPUTCD-GOEBONIOSA-N 0 3 390.484 0.662 20 0 GCADHN CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2cnc(-c3ccccn3)[n-]c2=O)CC1 ZINC001190637327 1206041402 /nfs/dbraw/zinc/04/14/02/1206041402.db2.gz FDPKNLHNKYDICO-HDJSIYSDSA-N 0 3 398.467 0.963 20 0 GCADHN C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2cnc(-c3ccccn3)[n-]c2=O)CC1 ZINC001190637327 1206041404 /nfs/dbraw/zinc/04/14/04/1206041404.db2.gz FDPKNLHNKYDICO-HDJSIYSDSA-N 0 3 398.467 0.963 20 0 GCADHN CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(S(=O)(=O)c4ncc[n-]4)C3)O2)CC1 ZINC001190704706 1206042345 /nfs/dbraw/zinc/04/23/45/1206042345.db2.gz JYAWUCTVEZPEOK-NVXWUHKLSA-N 0 3 383.518 0.359 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)NCCC(=O)N3CCOCC3)cc2)CC1 ZINC001190831284 1206047707 /nfs/dbraw/zinc/04/77/07/1206047707.db2.gz INGSPMJINRMCPW-UHFFFAOYSA-N 0 3 388.512 0.803 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CC(N4CCNC(=O)C4)C3)cc2)CC1 ZINC001190840409 1206048060 /nfs/dbraw/zinc/04/80/60/1206048060.db2.gz MKUHNYKCIZETKY-UHFFFAOYSA-N 0 3 385.512 0.080 20 0 GCADHN CON(C)C(=O)c1cccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744601 720735889 /nfs/dbraw/zinc/73/58/89/720735889.db2.gz RPJYXCCLIQMELS-GJZGRUSLSA-N 0 3 384.440 0.847 20 0 GCADHN Cc1nc(-n2cncn2)cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164744033 720797311 /nfs/dbraw/zinc/79/73/11/720797311.db2.gz HECPPXFRQYERNN-LSDHHAIUSA-N 0 3 379.428 0.498 20 0 GCADHN NS(=O)(=O)c1cccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870017 721190704 /nfs/dbraw/zinc/19/07/04/721190704.db2.gz SFTDGOGSJHOOLE-HOTGVXAUSA-N 0 3 389.481 0.604 20 0 GCADHN Cn1cc(CN2CC[C@H]3CN(c4ccnc(N5CCN(C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164762503 721222691 /nfs/dbraw/zinc/22/26/91/721222691.db2.gz CNBVPRSTNZURKX-OALUTQOASA-N 0 3 396.543 0.920 20 0 GCADHN O=C(Cn1cncn1)N1CC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001571258423 945351853 /nfs/dbraw/zinc/35/18/53/945351853.db2.gz QLDBDXQHGVVRCS-LBPRGKRZSA-N 0 3 385.407 0.236 20 0 GCADHN O=C(Cn1cncn1)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571258423 945351864 /nfs/dbraw/zinc/35/18/64/945351864.db2.gz QLDBDXQHGVVRCS-LBPRGKRZSA-N 0 3 385.407 0.236 20 0 GCADHN O=C(Cn1cncn1)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571258494 945355414 /nfs/dbraw/zinc/35/54/14/945355414.db2.gz TUMAOJZZTYUKMG-UHFFFAOYSA-N 0 3 385.407 0.282 20 0 GCADHN O=C(Cn1cncn1)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571258494 945355424 /nfs/dbraw/zinc/35/54/24/945355424.db2.gz TUMAOJZZTYUKMG-UHFFFAOYSA-N 0 3 385.407 0.282 20 0 GCADHN CC1(C)CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571258635 945362206 /nfs/dbraw/zinc/36/22/06/945362206.db2.gz XZFDALHUMHTTNL-KBPBESRZSA-N 0 3 385.428 0.302 20 0 GCADHN CC1(C)CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571258635 945362215 /nfs/dbraw/zinc/36/22/15/945362215.db2.gz XZFDALHUMHTTNL-KBPBESRZSA-N 0 3 385.428 0.302 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571258868 945366392 /nfs/dbraw/zinc/36/63/92/945366392.db2.gz DGRKSEONLDMPRB-SWLSCSKDSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571258868 945366403 /nfs/dbraw/zinc/36/64/03/945366403.db2.gz DGRKSEONLDMPRB-SWLSCSKDSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571258868 945366413 /nfs/dbraw/zinc/36/64/13/945366413.db2.gz DGRKSEONLDMPRB-SWLSCSKDSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571258868 945366422 /nfs/dbraw/zinc/36/64/22/945366422.db2.gz DGRKSEONLDMPRB-SWLSCSKDSA-N 0 3 385.428 0.255 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571259008 945373265 /nfs/dbraw/zinc/37/32/65/945373265.db2.gz GIJSIAUSIMBSEI-LSDHHAIUSA-N 0 3 385.428 0.446 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571259008 945373277 /nfs/dbraw/zinc/37/32/77/945373277.db2.gz GIJSIAUSIMBSEI-LSDHHAIUSA-N 0 3 385.428 0.446 20 0 GCADHN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1)[C@H]1COC(=O)N1 ZINC001571260211 945410441 /nfs/dbraw/zinc/41/04/41/945410441.db2.gz YAWGYGMAFBEXLU-RBSFLKMASA-N 0 3 385.428 0.492 20 0 GCADHN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1)[C@H]1COC(=O)N1 ZINC001571260211 945410445 /nfs/dbraw/zinc/41/04/45/945410445.db2.gz YAWGYGMAFBEXLU-RBSFLKMASA-N 0 3 385.428 0.492 20 0 GCADHN CN1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001571264007 945473414 /nfs/dbraw/zinc/47/34/14/945473414.db2.gz DNBVUMDIQIVBJW-QGZVFWFLSA-N 0 3 385.472 0.278 20 0 GCADHN CN1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001571264007 945473419 /nfs/dbraw/zinc/47/34/19/945473419.db2.gz DNBVUMDIQIVBJW-QGZVFWFLSA-N 0 3 385.472 0.278 20 0 GCADHN CN(C(=O)[C@H]1CN(C)CCO1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571264088 945475787 /nfs/dbraw/zinc/47/57/87/945475787.db2.gz FTXWDGYWHGEEHG-OFLPRAFFSA-N 0 3 385.472 0.276 20 0 GCADHN CN(C(=O)[C@H]1CN(C)CCO1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571264088 945475791 /nfs/dbraw/zinc/47/57/91/945475791.db2.gz FTXWDGYWHGEEHG-OFLPRAFFSA-N 0 3 385.472 0.276 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001571265688 945518274 /nfs/dbraw/zinc/51/82/74/945518274.db2.gz ORYLWXHSBMBRPV-OAHLLOKOSA-N 0 3 385.476 0.710 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001571265688 945518281 /nfs/dbraw/zinc/51/82/81/945518281.db2.gz ORYLWXHSBMBRPV-OAHLLOKOSA-N 0 3 385.476 0.710 20 0 GCADHN C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001571265745 945519252 /nfs/dbraw/zinc/51/92/52/945519252.db2.gz JMLQZLDNPOOFNP-OLZOCXBDSA-N 0 3 385.476 0.932 20 0 GCADHN C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571265745 945519261 /nfs/dbraw/zinc/51/92/61/945519261.db2.gz JMLQZLDNPOOFNP-OLZOCXBDSA-N 0 3 385.476 0.932 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265914 945522941 /nfs/dbraw/zinc/52/29/41/945522941.db2.gz KUVZKOJDBGGVFI-SSDMNJCBSA-N 0 3 385.476 0.838 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265914 945522946 /nfs/dbraw/zinc/52/29/46/945522946.db2.gz KUVZKOJDBGGVFI-SSDMNJCBSA-N 0 3 385.476 0.838 20 0 GCADHN CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)[NH+](C)C ZINC001571265906 945525203 /nfs/dbraw/zinc/52/52/03/945525203.db2.gz KRZGKAPLUXPIDV-ILXRZTDVSA-N 0 3 385.476 0.567 20 0 GCADHN CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266173 945532826 /nfs/dbraw/zinc/53/28/26/945532826.db2.gz NCWLLVBJIYXRDG-ZFWWWQNUSA-N 0 3 385.476 0.568 20 0 GCADHN CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266173 945532834 /nfs/dbraw/zinc/53/28/34/945532834.db2.gz NCWLLVBJIYXRDG-ZFWWWQNUSA-N 0 3 385.476 0.568 20 0 GCADHN CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571266597 945546886 /nfs/dbraw/zinc/54/68/86/945546886.db2.gz UZAQCPZLAINFEY-OAHLLOKOSA-N 0 3 385.476 0.570 20 0 GCADHN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571266597 945546890 /nfs/dbraw/zinc/54/68/90/945546890.db2.gz UZAQCPZLAINFEY-OAHLLOKOSA-N 0 3 385.476 0.570 20 0 GCADHN Cc1nonc1C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571267703 945577216 /nfs/dbraw/zinc/57/72/16/945577216.db2.gz CIHDFOAPSQQHPU-UHFFFAOYSA-N 0 3 386.391 0.995 20 0 GCADHN COC(=O)c1cccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)c1-c1nnn[n-]1 ZINC001571267836 945579968 /nfs/dbraw/zinc/57/99/68/945579968.db2.gz GFYIMHFYPZZTTC-AWEZNQCLSA-N 0 3 386.412 0.038 20 0 GCADHN Cc1nnc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)o1 ZINC001571268070 945586178 /nfs/dbraw/zinc/58/61/78/945586178.db2.gz MVXKBNWCXXXPJY-HAQNSBGRSA-N 0 3 386.391 0.677 20 0 GCADHN Cc1nnc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)o1 ZINC001571268070 945586188 /nfs/dbraw/zinc/58/61/88/945586188.db2.gz MVXKBNWCXXXPJY-HAQNSBGRSA-N 0 3 386.391 0.677 20 0 GCADHN O=C(c1cnsn1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571270627 945639450 /nfs/dbraw/zinc/63/94/50/945639450.db2.gz XCPPYZNAFNJJBK-CYBMUJFWSA-N 0 3 386.441 0.349 20 0 GCADHN O=C(c1cnsn1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571270627 945639454 /nfs/dbraw/zinc/63/94/54/945639454.db2.gz XCPPYZNAFNJJBK-CYBMUJFWSA-N 0 3 386.441 0.349 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+]1C[C@@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272978 945676460 /nfs/dbraw/zinc/67/64/60/945676460.db2.gz MCPBCHHEZZVPDS-JSGCOSHPSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+]1C[C@@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272978 945676466 /nfs/dbraw/zinc/67/64/66/945676466.db2.gz MCPBCHHEZZVPDS-JSGCOSHPSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+]1C[C@@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272978 945676472 /nfs/dbraw/zinc/67/64/72/945676472.db2.gz MCPBCHHEZZVPDS-JSGCOSHPSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+]1C[C@@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272978 945676475 /nfs/dbraw/zinc/67/64/75/945676475.db2.gz MCPBCHHEZZVPDS-JSGCOSHPSA-N 0 3 386.460 0.305 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821351251 945676760 /nfs/dbraw/zinc/67/67/60/945676760.db2.gz NYCBCAYKRYPCQK-ZDUSSCGKSA-N 0 3 389.460 0.587 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821351251 945676764 /nfs/dbraw/zinc/67/67/64/945676764.db2.gz NYCBCAYKRYPCQK-ZDUSSCGKSA-N 0 3 389.460 0.587 20 0 GCADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001571273164 945681357 /nfs/dbraw/zinc/68/13/57/945681357.db2.gz QYTCEWZKONTXLA-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001571273164 945681361 /nfs/dbraw/zinc/68/13/61/945681361.db2.gz QYTCEWZKONTXLA-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN CN1CC[C@@H]([NH2+]CC[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001571273234 945681839 /nfs/dbraw/zinc/68/18/39/945681839.db2.gz TUAQKNVTBSZORM-TZMCWYRMSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@@H+]1C ZINC001571273230 945682263 /nfs/dbraw/zinc/68/22/63/945682263.db2.gz SXIRVAJYTDDKPT-MHDGFBEUSA-N 0 3 386.460 0.160 20 0 GCADHN C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@H+]1C ZINC001571273230 945682270 /nfs/dbraw/zinc/68/22/70/945682270.db2.gz SXIRVAJYTDDKPT-MHDGFBEUSA-N 0 3 386.460 0.160 20 0 GCADHN C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@@H+]1C ZINC001571273230 945682279 /nfs/dbraw/zinc/68/22/79/945682279.db2.gz SXIRVAJYTDDKPT-MHDGFBEUSA-N 0 3 386.460 0.160 20 0 GCADHN C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@H+]1C ZINC001571273230 945682290 /nfs/dbraw/zinc/68/22/90/945682290.db2.gz SXIRVAJYTDDKPT-MHDGFBEUSA-N 0 3 386.460 0.160 20 0 GCADHN C[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001571273282 945683136 /nfs/dbraw/zinc/68/31/36/945683136.db2.gz UQUCRWWEWVMXSI-AULYBMBSSA-N 0 3 386.460 0.161 20 0 GCADHN C[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001571273282 945683141 /nfs/dbraw/zinc/68/31/41/945683141.db2.gz UQUCRWWEWVMXSI-AULYBMBSSA-N 0 3 386.460 0.161 20 0 GCADHN O=C(N[C@H]1CC[C@H]([NH2+]CCN2CCCC2=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571273365 945686165 /nfs/dbraw/zinc/68/61/65/945686165.db2.gz WFKAWQNJTWSZDS-HDJSIYSDSA-N 0 3 386.460 0.448 20 0 GCADHN O=C(N[C@H]1CC[C@H]([NH2+]CCN2CCCC2=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571273365 945686168 /nfs/dbraw/zinc/68/61/68/945686168.db2.gz WFKAWQNJTWSZDS-HDJSIYSDSA-N 0 3 386.460 0.448 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@@H+]1C ZINC001571273393 945686898 /nfs/dbraw/zinc/68/68/98/945686898.db2.gz WWKMHXFKUDVIIB-KCQAQPDRSA-N 0 3 386.460 0.256 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@H+]1C ZINC001571273393 945686902 /nfs/dbraw/zinc/68/69/02/945686902.db2.gz WWKMHXFKUDVIIB-KCQAQPDRSA-N 0 3 386.460 0.256 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@@H+]1C ZINC001571273393 945686906 /nfs/dbraw/zinc/68/69/06/945686906.db2.gz WWKMHXFKUDVIIB-KCQAQPDRSA-N 0 3 386.460 0.256 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@H+]1C ZINC001571273393 945686910 /nfs/dbraw/zinc/68/69/10/945686910.db2.gz WWKMHXFKUDVIIB-KCQAQPDRSA-N 0 3 386.460 0.256 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000821401061 945688133 /nfs/dbraw/zinc/68/81/33/945688133.db2.gz SYZIEUCQSDLAHT-DGCLKSJQSA-N 0 3 399.455 0.945 20 0 GCADHN COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275707 945714578 /nfs/dbraw/zinc/71/45/78/945714578.db2.gz BDUJDSQKJSSCRB-HUUCEWRRSA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275707 945714587 /nfs/dbraw/zinc/71/45/87/945714587.db2.gz BDUJDSQKJSSCRB-HUUCEWRRSA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275707 945714593 /nfs/dbraw/zinc/71/45/93/945714593.db2.gz BDUJDSQKJSSCRB-HUUCEWRRSA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275707 945714601 /nfs/dbraw/zinc/71/46/01/945714601.db2.gz BDUJDSQKJSSCRB-HUUCEWRRSA-N 0 3 386.456 0.850 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001571275855 945718563 /nfs/dbraw/zinc/71/85/63/945718563.db2.gz DIVZFXBPCDFOMR-TZMCWYRMSA-N 0 3 386.460 0.257 20 0 GCADHN O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001571275979 945720166 /nfs/dbraw/zinc/72/01/66/945720166.db2.gz AWXIVVXWQZTBAZ-WFASDCNBSA-N 0 3 387.419 0.223 20 0 GCADHN O=C(NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001571275979 945720171 /nfs/dbraw/zinc/72/01/71/945720171.db2.gz AWXIVVXWQZTBAZ-WFASDCNBSA-N 0 3 387.419 0.223 20 0 GCADHN O=C([C@@H]1CCC(=O)NC1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571276254 945730849 /nfs/dbraw/zinc/73/08/49/945730849.db2.gz GEJPHTOBMASHCF-OLZOCXBDSA-N 0 3 387.419 0.223 20 0 GCADHN O=C([C@@H]1CCC(=O)NC1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571276254 945730853 /nfs/dbraw/zinc/73/08/53/945730853.db2.gz GEJPHTOBMASHCF-OLZOCXBDSA-N 0 3 387.419 0.223 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC001571276583 945732011 /nfs/dbraw/zinc/73/20/11/945732011.db2.gz IYYWMGGKFFMDBG-GOEBONIOSA-N 0 3 386.456 0.992 20 0 GCADHN Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000821627130 945755461 /nfs/dbraw/zinc/75/54/61/945755461.db2.gz OMQDNTNIGXKKDS-UHFFFAOYSA-N 0 3 388.480 0.092 20 0 GCADHN CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(N)=O ZINC001571278537 945755866 /nfs/dbraw/zinc/75/58/66/945755866.db2.gz PBZQHLGXLVLZJW-WVMKXHBISA-N 0 3 386.460 0.574 20 0 GCADHN C[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571281596 945807782 /nfs/dbraw/zinc/80/77/82/945807782.db2.gz JNKJSQYSGYGHAR-WDEREUQCSA-N 0 3 387.473 0.473 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573449320 945815248 /nfs/dbraw/zinc/81/52/48/945815248.db2.gz YTZRRMPFILYRTE-BDJLRTHQSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573449320 945815260 /nfs/dbraw/zinc/81/52/60/945815260.db2.gz YTZRRMPFILYRTE-BDJLRTHQSA-N 0 3 389.435 0.611 20 0 GCADHN CC(C)[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)[NH+](C)C ZINC001571283340 945884802 /nfs/dbraw/zinc/88/48/02/945884802.db2.gz CUUQFDIDKJPMRN-YJBOKZPZSA-N 0 3 387.492 0.893 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573456579 945895042 /nfs/dbraw/zinc/89/50/42/945895042.db2.gz MGRAJMCWICFXTB-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573456579 945895060 /nfs/dbraw/zinc/89/50/60/945895060.db2.gz MGRAJMCWICFXTB-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573457315 945905664 /nfs/dbraw/zinc/90/56/64/945905664.db2.gz VRGFRYCIYCKFFB-AWEZNQCLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573457315 945905674 /nfs/dbraw/zinc/90/56/74/945905674.db2.gz VRGFRYCIYCKFFB-AWEZNQCLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573458997 945910492 /nfs/dbraw/zinc/91/04/92/945910492.db2.gz CGAISDRQQQUVIZ-HNNXBMFYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573458997 945910504 /nfs/dbraw/zinc/91/05/04/945910504.db2.gz CGAISDRQQQUVIZ-HNNXBMFYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573460237 945918572 /nfs/dbraw/zinc/91/85/72/945918572.db2.gz KFTWEFZTQHQGAK-MRXNPFEDSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573460237 945918581 /nfs/dbraw/zinc/91/85/81/945918581.db2.gz KFTWEFZTQHQGAK-MRXNPFEDSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573461886 945924689 /nfs/dbraw/zinc/92/46/89/945924689.db2.gz SULBMEXBAHGQPJ-QWRGUYRKSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573461970 945926757 /nfs/dbraw/zinc/92/67/57/945926757.db2.gz URAZWXQUCPHDTP-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573461970 945926766 /nfs/dbraw/zinc/92/67/66/945926766.db2.gz URAZWXQUCPHDTP-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)C1=COCCO1 ZINC001571285991 945932233 /nfs/dbraw/zinc/93/22/33/945932233.db2.gz UGAWRVZLZCUHBO-BETUJISGSA-N 0 3 388.403 0.878 20 0 GCADHN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)C1=COCCO1 ZINC001571285991 945932246 /nfs/dbraw/zinc/93/22/46/945932246.db2.gz UGAWRVZLZCUHBO-BETUJISGSA-N 0 3 388.403 0.878 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573462230 945934182 /nfs/dbraw/zinc/93/41/82/945934182.db2.gz DBCMZPBNJUKNNI-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573462230 945934190 /nfs/dbraw/zinc/93/41/90/945934190.db2.gz DBCMZPBNJUKNNI-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573463524 945956031 /nfs/dbraw/zinc/95/60/31/945956031.db2.gz YBNRPRXIEKTSLB-UHFFFAOYSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573463524 945956034 /nfs/dbraw/zinc/95/60/34/945956034.db2.gz YBNRPRXIEKTSLB-UHFFFAOYSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573463475 945956804 /nfs/dbraw/zinc/95/68/04/945956804.db2.gz WWDBTAROBZVSAC-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573463475 945956815 /nfs/dbraw/zinc/95/68/15/945956815.db2.gz WWDBTAROBZVSAC-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573464148 945964529 /nfs/dbraw/zinc/96/45/29/945964529.db2.gz GQGCOWMJNNYSMQ-LLVKDONJSA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573464545 945965886 /nfs/dbraw/zinc/96/58/86/945965886.db2.gz LYFNHUOIYVUMCP-JTQLQIEISA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573464545 945965892 /nfs/dbraw/zinc/96/58/92/945965892.db2.gz LYFNHUOIYVUMCP-JTQLQIEISA-N 0 3 377.424 0.515 20 0 GCADHN CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1F)[NH+](C)C ZINC001571287189 945967767 /nfs/dbraw/zinc/96/77/67/945967767.db2.gz ADOIUZCBEZLYNI-YDHLFZDLSA-N 0 3 388.451 0.777 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573467770 945983469 /nfs/dbraw/zinc/98/34/69/945983469.db2.gz HLCDSSFGDWQKMF-LBPRGKRZSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573467770 945983481 /nfs/dbraw/zinc/98/34/81/945983481.db2.gz HLCDSSFGDWQKMF-LBPRGKRZSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573468557 945995328 /nfs/dbraw/zinc/99/53/28/945995328.db2.gz PFULPAYCTQSIQQ-PXAZEXFGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573468557 945995338 /nfs/dbraw/zinc/99/53/38/945995338.db2.gz PFULPAYCTQSIQQ-PXAZEXFGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573468917 945999744 /nfs/dbraw/zinc/99/97/44/945999744.db2.gz RNESMLKPPJTFRR-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573468917 945999750 /nfs/dbraw/zinc/99/97/50/945999750.db2.gz RNESMLKPPJTFRR-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573470003 946013168 /nfs/dbraw/zinc/01/31/68/946013168.db2.gz ARTGETLYCHMPML-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573470003 946013176 /nfs/dbraw/zinc/01/31/76/946013176.db2.gz ARTGETLYCHMPML-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573470003 946013191 /nfs/dbraw/zinc/01/31/91/946013191.db2.gz ARTGETLYCHMPML-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573470003 946013200 /nfs/dbraw/zinc/01/32/00/946013200.db2.gz ARTGETLYCHMPML-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470111 946017878 /nfs/dbraw/zinc/01/78/78/946017878.db2.gz BGGMMYFBXNDQND-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573470111 946017888 /nfs/dbraw/zinc/01/78/88/946017888.db2.gz BGGMMYFBXNDQND-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)(O)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571290291 946033808 /nfs/dbraw/zinc/03/38/08/946033808.db2.gz ZUFBHTXXRPJWEH-INIZCTEOSA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)(O)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571290291 946033821 /nfs/dbraw/zinc/03/38/21/946033821.db2.gz ZUFBHTXXRPJWEH-INIZCTEOSA-N 0 3 388.472 0.735 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573470971 946039119 /nfs/dbraw/zinc/03/91/19/946039119.db2.gz LJPPEOSPHQAXCN-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573470971 946039132 /nfs/dbraw/zinc/03/91/32/946039132.db2.gz LJPPEOSPHQAXCN-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573470973 946039497 /nfs/dbraw/zinc/03/94/97/946039497.db2.gz LJPPEOSPHQAXCN-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573470973 946039506 /nfs/dbraw/zinc/03/95/06/946039506.db2.gz LJPPEOSPHQAXCN-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573471402 946050490 /nfs/dbraw/zinc/05/04/90/946050490.db2.gz ORUFWLKZIMYMDD-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573471402 946050503 /nfs/dbraw/zinc/05/05/03/946050503.db2.gz ORUFWLKZIMYMDD-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571291183 946072390 /nfs/dbraw/zinc/07/23/90/946072390.db2.gz FRRNMKDKNGSWHZ-BXUZGUMPSA-N 0 3 389.391 0.147 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571291183 946072403 /nfs/dbraw/zinc/07/24/03/946072403.db2.gz FRRNMKDKNGSWHZ-BXUZGUMPSA-N 0 3 389.391 0.147 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@H]1COC(=O)N1 ZINC001571291406 946075205 /nfs/dbraw/zinc/07/52/05/946075205.db2.gz JAIFCISTKOYOPF-WIQPZXRYSA-N 0 3 389.391 0.099 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573474621 946093056 /nfs/dbraw/zinc/09/30/56/946093056.db2.gz LXUVJCKQAAEBGL-BLVKFPJESA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573474621 946093065 /nfs/dbraw/zinc/09/30/65/946093065.db2.gz LXUVJCKQAAEBGL-BLVKFPJESA-N 0 3 385.472 0.766 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571292257 946093863 /nfs/dbraw/zinc/09/38/63/946093863.db2.gz WTCMIHYNMMWCLC-JSGCOSHPSA-N 0 3 389.391 0.195 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571292257 946093871 /nfs/dbraw/zinc/09/38/71/946093871.db2.gz WTCMIHYNMMWCLC-JSGCOSHPSA-N 0 3 389.391 0.195 20 0 GCADHN COCC[NH+]1CCC2(CO[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001571293938 946120607 /nfs/dbraw/zinc/12/06/07/946120607.db2.gz WOTURZPKIKMOMF-CQSZACIVSA-N 0 3 389.460 0.442 20 0 GCADHN COCC[NH+]1CCC2(CO[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001571293938 946120618 /nfs/dbraw/zinc/12/06/18/946120618.db2.gz WOTURZPKIKMOMF-CQSZACIVSA-N 0 3 389.460 0.442 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573477063 946127645 /nfs/dbraw/zinc/12/76/45/946127645.db2.gz LYMXONXGYZHRNO-AXOLYNHLSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573477063 946127660 /nfs/dbraw/zinc/12/76/60/946127660.db2.gz LYMXONXGYZHRNO-AXOLYNHLSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573478099 946145244 /nfs/dbraw/zinc/14/52/44/946145244.db2.gz VISOQLAPQQASQP-MGPLVRAMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573478099 946145246 /nfs/dbraw/zinc/14/52/46/946145246.db2.gz VISOQLAPQQASQP-MGPLVRAMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C ZINC001573478761 946149469 /nfs/dbraw/zinc/14/94/69/946149469.db2.gz YICSRAITFRGKPF-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C ZINC001573478762 946150909 /nfs/dbraw/zinc/15/09/09/946150909.db2.gz YICSRAITFRGKPF-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC[C@H](C(=O)N1CCCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[NH+](C)C ZINC001571295043 946152017 /nfs/dbraw/zinc/15/20/17/946152017.db2.gz NWJWLQDEEGDXGO-GXTWGEPZSA-N 0 3 389.464 0.026 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573479382 946158891 /nfs/dbraw/zinc/15/88/91/946158891.db2.gz CJIZNOIKAQFVAU-CYBMUJFWSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573479382 946158896 /nfs/dbraw/zinc/15/88/96/946158896.db2.gz CJIZNOIKAQFVAU-CYBMUJFWSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479816 946167682 /nfs/dbraw/zinc/16/76/82/946167682.db2.gz HRFJNHOFXSHVOW-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479816 946167690 /nfs/dbraw/zinc/16/76/90/946167690.db2.gz HRFJNHOFXSHVOW-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479816 946167695 /nfs/dbraw/zinc/16/76/95/946167695.db2.gz HRFJNHOFXSHVOW-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479816 946167702 /nfs/dbraw/zinc/16/77/02/946167702.db2.gz HRFJNHOFXSHVOW-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573480719 946177555 /nfs/dbraw/zinc/17/75/55/946177555.db2.gz MCYFWERZOWEQQN-ZDUSSCGKSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573480719 946177563 /nfs/dbraw/zinc/17/75/63/946177563.db2.gz MCYFWERZOWEQQN-ZDUSSCGKSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573481393 946183283 /nfs/dbraw/zinc/18/32/83/946183283.db2.gz PBDAXNAMFOUXKB-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573481393 946183289 /nfs/dbraw/zinc/18/32/89/946183289.db2.gz PBDAXNAMFOUXKB-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573481393 946183298 /nfs/dbraw/zinc/18/32/98/946183298.db2.gz PBDAXNAMFOUXKB-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573481393 946183306 /nfs/dbraw/zinc/18/33/06/946183306.db2.gz PBDAXNAMFOUXKB-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573482912 946205316 /nfs/dbraw/zinc/20/53/16/946205316.db2.gz BURSOHZJSMNIBT-YLQAJVPDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573482912 946205326 /nfs/dbraw/zinc/20/53/26/946205326.db2.gz BURSOHZJSMNIBT-YLQAJVPDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573486971 946245446 /nfs/dbraw/zinc/24/54/46/946245446.db2.gz JVBHSWOFBMVSNS-DAXOMENPSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573486971 946245455 /nfs/dbraw/zinc/24/54/55/946245455.db2.gz JVBHSWOFBMVSNS-DAXOMENPSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573487289 946249733 /nfs/dbraw/zinc/24/97/33/946249733.db2.gz LYMXONXGYZHRNO-CSMYWGQOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573487289 946249743 /nfs/dbraw/zinc/24/97/43/946249743.db2.gz LYMXONXGYZHRNO-CSMYWGQOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573487505 946254238 /nfs/dbraw/zinc/25/42/38/946254238.db2.gz PJJWGEUIDNPQAW-TVYUQYBPSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573487505 946254246 /nfs/dbraw/zinc/25/42/46/946254246.db2.gz PJJWGEUIDNPQAW-TVYUQYBPSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)NCC(=O)N(C)C1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573498432 946359750 /nfs/dbraw/zinc/35/97/50/946359750.db2.gz YWALVGSGQHLTLN-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N(C)C1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573498432 946359762 /nfs/dbraw/zinc/35/97/62/946359762.db2.gz YWALVGSGQHLTLN-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573498880 946361480 /nfs/dbraw/zinc/36/14/80/946361480.db2.gz ABOLURSKYFPXMK-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001573498880 946361490 /nfs/dbraw/zinc/36/14/90/946361490.db2.gz ABOLURSKYFPXMK-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H](C)C1 ZINC001573499721 946369013 /nfs/dbraw/zinc/36/90/13/946369013.db2.gz FWNYMVDQUYOGAZ-BONVTDFDSA-N 0 3 375.408 0.078 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571305823 946375698 /nfs/dbraw/zinc/37/56/98/946375698.db2.gz KZMGCPXTLHUMIC-CHWSQXEVSA-N 0 3 391.501 0.197 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571305823 946375709 /nfs/dbraw/zinc/37/57/09/946375709.db2.gz KZMGCPXTLHUMIC-CHWSQXEVSA-N 0 3 391.501 0.197 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C(C)(C)C1 ZINC001573502406 946384424 /nfs/dbraw/zinc/38/44/24/946384424.db2.gz VCDKLPBYYUZADE-OAHLLOKOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573502544 946386636 /nfs/dbraw/zinc/38/66/36/946386636.db2.gz XFLUDUIWKXVPPM-UHFFFAOYSA-N 0 3 391.451 0.716 20 0 GCADHN CC(=O)NCC(=O)N(C)CC(C)(C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573502544 946386649 /nfs/dbraw/zinc/38/66/49/946386649.db2.gz XFLUDUIWKXVPPM-UHFFFAOYSA-N 0 3 391.451 0.716 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H]1C ZINC001573502761 946389322 /nfs/dbraw/zinc/38/93/22/946389322.db2.gz YQAXWCMSVPMVGA-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1C ZINC001573502761 946389330 /nfs/dbraw/zinc/38/93/30/946389330.db2.gz YQAXWCMSVPMVGA-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H](C)C1 ZINC001573503549 946392328 /nfs/dbraw/zinc/39/23/28/946392328.db2.gz ADXWSNUAYWVBAW-MEDUHNTESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)[C@@H](C)C1 ZINC001573503549 946392337 /nfs/dbraw/zinc/39/23/37/946392337.db2.gz ADXWSNUAYWVBAW-MEDUHNTESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573505124 946416491 /nfs/dbraw/zinc/41/64/91/946416491.db2.gz KABNRVMJBZZTLB-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573505124 946416499 /nfs/dbraw/zinc/41/64/99/946416499.db2.gz KABNRVMJBZZTLB-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573505096 946416620 /nfs/dbraw/zinc/41/66/20/946416620.db2.gz JNLNBRWDNYSROY-HNNXBMFYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573505096 946416628 /nfs/dbraw/zinc/41/66/28/946416628.db2.gz JNLNBRWDNYSROY-HNNXBMFYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573505097 946417846 /nfs/dbraw/zinc/41/78/46/946417846.db2.gz JNLNBRWDNYSROY-OAHLLOKOSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573505097 946417853 /nfs/dbraw/zinc/41/78/53/946417853.db2.gz JNLNBRWDNYSROY-OAHLLOKOSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C[C@@H]1C ZINC001573505260 946419795 /nfs/dbraw/zinc/41/97/95/946419795.db2.gz LPZBXYIUYKDMKH-NHYWBVRUSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1C ZINC001573505260 946419796 /nfs/dbraw/zinc/41/97/96/946419796.db2.gz LPZBXYIUYKDMKH-NHYWBVRUSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573505603 946421846 /nfs/dbraw/zinc/42/18/46/946421846.db2.gz LTYKEIOAWQGJND-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573505603 946421855 /nfs/dbraw/zinc/42/18/55/946421855.db2.gz LTYKEIOAWQGJND-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505934 946426197 /nfs/dbraw/zinc/42/61/97/946426197.db2.gz PNLKKPRHNQTILV-DYVFJYSZSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505934 946426202 /nfs/dbraw/zinc/42/62/02/946426202.db2.gz PNLKKPRHNQTILV-DYVFJYSZSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573506409 946432524 /nfs/dbraw/zinc/43/25/24/946432524.db2.gz QPEVNDHEOPCNEU-HNNXBMFYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573506409 946432540 /nfs/dbraw/zinc/43/25/40/946432540.db2.gz QPEVNDHEOPCNEU-HNNXBMFYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001573507195 946443670 /nfs/dbraw/zinc/44/36/70/946443670.db2.gz XEPAAMVXQVSGOR-BONVTDFDSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001573507195 946443675 /nfs/dbraw/zinc/44/36/75/946443675.db2.gz XEPAAMVXQVSGOR-BONVTDFDSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573507260 946446245 /nfs/dbraw/zinc/44/62/45/946446245.db2.gz WFCSPCRLNFBLPD-AWEZNQCLSA-N 0 3 375.408 0.223 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21)c1c[nH]c(=O)cn1 ZINC001571309512 946447502 /nfs/dbraw/zinc/44/75/02/946447502.db2.gz CDLHCTQYXVLRRK-QKDCVEJESA-N 0 3 392.423 0.058 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21)c1c[nH]c(=O)cn1 ZINC001571309512 946447510 /nfs/dbraw/zinc/44/75/10/946447510.db2.gz CDLHCTQYXVLRRK-QKDCVEJESA-N 0 3 392.423 0.058 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21)c1c[nH]c(=O)cn1 ZINC001571309512 946447517 /nfs/dbraw/zinc/44/75/17/946447517.db2.gz CDLHCTQYXVLRRK-QKDCVEJESA-N 0 3 392.423 0.058 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21)c1c[nH]c(=O)cn1 ZINC001571309512 946447526 /nfs/dbraw/zinc/44/75/26/946447526.db2.gz CDLHCTQYXVLRRK-QKDCVEJESA-N 0 3 392.423 0.058 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573509342 946461843 /nfs/dbraw/zinc/46/18/43/946461843.db2.gz KOPGQKRAJFISSW-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573509342 946461850 /nfs/dbraw/zinc/46/18/50/946461850.db2.gz KOPGQKRAJFISSW-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)cn1 ZINC001571310143 946463853 /nfs/dbraw/zinc/46/38/53/946463853.db2.gz WPRAUAKEGVPXEZ-AWEZNQCLSA-N 0 3 392.423 0.365 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)cn1 ZINC001571310143 946463862 /nfs/dbraw/zinc/46/38/62/946463862.db2.gz WPRAUAKEGVPXEZ-AWEZNQCLSA-N 0 3 392.423 0.365 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573510046 946468594 /nfs/dbraw/zinc/46/85/94/946468594.db2.gz WTTCYJXXNLXJKP-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573510046 946468605 /nfs/dbraw/zinc/46/86/05/946468605.db2.gz WTTCYJXXNLXJKP-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001573510046 946468609 /nfs/dbraw/zinc/46/86/09/946468609.db2.gz WTTCYJXXNLXJKP-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001573510046 946468613 /nfs/dbraw/zinc/46/86/13/946468613.db2.gz WTTCYJXXNLXJKP-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573510282 946476532 /nfs/dbraw/zinc/47/65/32/946476532.db2.gz DJIBXCUQSHBZSK-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573510282 946476536 /nfs/dbraw/zinc/47/65/36/946476536.db2.gz DJIBXCUQSHBZSK-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573510717 946480074 /nfs/dbraw/zinc/48/00/74/946480074.db2.gz JYUSGCJRCJKVFZ-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573510717 946480079 /nfs/dbraw/zinc/48/00/79/946480079.db2.gz JYUSGCJRCJKVFZ-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)CC[C@@H]2C1 ZINC001573510789 946481094 /nfs/dbraw/zinc/48/10/94/946481094.db2.gz KZSOPOZLDCBNSW-SJORKVTESA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)CC[C@@H]2C1 ZINC001573510789 946481103 /nfs/dbraw/zinc/48/11/03/946481103.db2.gz KZSOPOZLDCBNSW-SJORKVTESA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)CC[C@@H]2C1 ZINC001573510789 946481110 /nfs/dbraw/zinc/48/11/10/946481110.db2.gz KZSOPOZLDCBNSW-SJORKVTESA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)CC[C@@H]2C1 ZINC001573510789 946481118 /nfs/dbraw/zinc/48/11/18/946481118.db2.gz KZSOPOZLDCBNSW-SJORKVTESA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC001573511432 946484975 /nfs/dbraw/zinc/48/49/75/946484975.db2.gz PZRWSTDBVALNFT-KRWDZBQOSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC001573511432 946484980 /nfs/dbraw/zinc/48/49/80/946484980.db2.gz PZRWSTDBVALNFT-KRWDZBQOSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573511643 946489743 /nfs/dbraw/zinc/48/97/43/946489743.db2.gz CBETYJDCKOGVFD-MQVJKMGUSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573511643 946489749 /nfs/dbraw/zinc/48/97/49/946489749.db2.gz CBETYJDCKOGVFD-MQVJKMGUSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573511643 946489751 /nfs/dbraw/zinc/48/97/51/946489751.db2.gz CBETYJDCKOGVFD-MQVJKMGUSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573511643 946489758 /nfs/dbraw/zinc/48/97/58/946489758.db2.gz CBETYJDCKOGVFD-MQVJKMGUSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573512203 946496389 /nfs/dbraw/zinc/49/63/89/946496389.db2.gz VZOHDLYCZZEMTM-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573512203 946496395 /nfs/dbraw/zinc/49/63/95/946496395.db2.gz VZOHDLYCZZEMTM-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573512203 946496404 /nfs/dbraw/zinc/49/64/04/946496404.db2.gz VZOHDLYCZZEMTM-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573512203 946496414 /nfs/dbraw/zinc/49/64/14/946496414.db2.gz VZOHDLYCZZEMTM-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573513352 946510885 /nfs/dbraw/zinc/51/08/85/946510885.db2.gz MUXRFEZJFCFVBM-CZUORRHYSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573513352 946510887 /nfs/dbraw/zinc/51/08/87/946510887.db2.gz MUXRFEZJFCFVBM-CZUORRHYSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573513739 946515306 /nfs/dbraw/zinc/51/53/06/946515306.db2.gz PQGVAZZOJGNEGC-AWEZNQCLSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573513739 946515317 /nfs/dbraw/zinc/51/53/17/946515317.db2.gz PQGVAZZOJGNEGC-AWEZNQCLSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573513958 946518921 /nfs/dbraw/zinc/51/89/21/946518921.db2.gz RWFYKSHBNNNDQE-GJZGRUSLSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573513958 946518930 /nfs/dbraw/zinc/51/89/30/946518930.db2.gz RWFYKSHBNNNDQE-GJZGRUSLSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C12CCC2 ZINC001573514280 946524800 /nfs/dbraw/zinc/52/48/00/946524800.db2.gz WMSLIHTUPYTBCB-HZPDHXFCSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C12CCC2 ZINC001573514280 946524808 /nfs/dbraw/zinc/52/48/08/946524808.db2.gz WMSLIHTUPYTBCB-HZPDHXFCSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573514526 946527709 /nfs/dbraw/zinc/52/77/09/946527709.db2.gz ZHODADATFLCQBI-SJORKVTESA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573514526 946527713 /nfs/dbraw/zinc/52/77/13/946527713.db2.gz ZHODADATFLCQBI-SJORKVTESA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573516420 946561268 /nfs/dbraw/zinc/56/12/68/946561268.db2.gz ZDFKDMOKCIWBME-HNNXBMFYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573516420 946561274 /nfs/dbraw/zinc/56/12/74/946561274.db2.gz ZDFKDMOKCIWBME-HNNXBMFYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NCC1(C)CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573517022 946564823 /nfs/dbraw/zinc/56/48/23/946564823.db2.gz CUGKFVUQIGFHMB-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NCC1(C)CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573517022 946564836 /nfs/dbraw/zinc/56/48/36/946564836.db2.gz CUGKFVUQIGFHMB-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN Cn1cc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)cn1 ZINC001571316639 946584318 /nfs/dbraw/zinc/58/43/18/946584318.db2.gz IZJSRKRYQFFGGA-FUHWJXTLSA-N 0 3 392.467 0.876 20 0 GCADHN Cn1cc(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)cn1 ZINC001571316639 946584325 /nfs/dbraw/zinc/58/43/25/946584325.db2.gz IZJSRKRYQFFGGA-FUHWJXTLSA-N 0 3 392.467 0.876 20 0 GCADHN Cn1cc(CC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)cn1 ZINC001571316639 946584329 /nfs/dbraw/zinc/58/43/29/946584329.db2.gz IZJSRKRYQFFGGA-FUHWJXTLSA-N 0 3 392.467 0.876 20 0 GCADHN Cn1cc(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)cn1 ZINC001571316639 946584337 /nfs/dbraw/zinc/58/43/37/946584337.db2.gz IZJSRKRYQFFGGA-FUHWJXTLSA-N 0 3 392.467 0.876 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573520239 946592597 /nfs/dbraw/zinc/59/25/97/946592597.db2.gz FIZVERNCOILCBH-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573520239 946592606 /nfs/dbraw/zinc/59/26/06/946592606.db2.gz FIZVERNCOILCBH-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573520239 946592617 /nfs/dbraw/zinc/59/26/17/946592617.db2.gz FIZVERNCOILCBH-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573520239 946592626 /nfs/dbraw/zinc/59/26/26/946592626.db2.gz FIZVERNCOILCBH-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000824141039 946600239 /nfs/dbraw/zinc/60/02/39/946600239.db2.gz AWNHAFXUJDELMM-LLVKDONJSA-N 0 3 387.448 0.063 20 0 GCADHN CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000824141039 946600244 /nfs/dbraw/zinc/60/02/44/946600244.db2.gz AWNHAFXUJDELMM-LLVKDONJSA-N 0 3 387.448 0.063 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573522042 946620257 /nfs/dbraw/zinc/62/02/57/946620257.db2.gz WYOMRYSCAFDXCE-SHTZXODSSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573522042 946620264 /nfs/dbraw/zinc/62/02/64/946620264.db2.gz WYOMRYSCAFDXCE-SHTZXODSSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573522368 946625373 /nfs/dbraw/zinc/62/53/73/946625373.db2.gz DNMQFZCSIFKPBM-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573522368 946625377 /nfs/dbraw/zinc/62/53/77/946625377.db2.gz DNMQFZCSIFKPBM-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573523130 946633841 /nfs/dbraw/zinc/63/38/41/946633841.db2.gz OUHGFCPEBOZJHA-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573527565 946644397 /nfs/dbraw/zinc/64/43/97/946644397.db2.gz DASBKEPDLQJIJN-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573527771 946647766 /nfs/dbraw/zinc/64/77/66/946647766.db2.gz HPWJWFKGFHKMFM-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573527771 946647773 /nfs/dbraw/zinc/64/77/73/946647773.db2.gz HPWJWFKGFHKMFM-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573528079 946655433 /nfs/dbraw/zinc/65/54/33/946655433.db2.gz SURXXKQTMIGLKB-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573528079 946655434 /nfs/dbraw/zinc/65/54/34/946655434.db2.gz SURXXKQTMIGLKB-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573535930 946728094 /nfs/dbraw/zinc/72/80/94/946728094.db2.gz LHZYXKGEQPNUDH-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573535930 946728107 /nfs/dbraw/zinc/72/81/07/946728107.db2.gz LHZYXKGEQPNUDH-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573536623 946737600 /nfs/dbraw/zinc/73/76/00/946737600.db2.gz ZMOUBKQDUNZRGJ-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573536623 946737605 /nfs/dbraw/zinc/73/76/05/946737605.db2.gz ZMOUBKQDUNZRGJ-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000824737138 946919277 /nfs/dbraw/zinc/91/92/77/946919277.db2.gz CGNXGDJWIDBVFT-GOEBONIOSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000824737138 946919285 /nfs/dbraw/zinc/91/92/85/946919285.db2.gz CGNXGDJWIDBVFT-GOEBONIOSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573593297 947367053 /nfs/dbraw/zinc/36/70/53/947367053.db2.gz JPTALWPJAMAFIE-JQRITLKVSA-N 0 3 381.444 0.798 20 0 GCADHN C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573593297 947367067 /nfs/dbraw/zinc/36/70/67/947367067.db2.gz JPTALWPJAMAFIE-JQRITLKVSA-N 0 3 381.444 0.798 20 0 GCADHN CN(CCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cc[nH+]cc1 ZINC000825914448 947367470 /nfs/dbraw/zinc/36/74/70/947367470.db2.gz FTXFTOKETCUOMA-UHFFFAOYSA-N 0 3 393.455 0.832 20 0 GCADHN C[C@@H](C(=O)N(C)C)[N@H+](C)CC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573594989 947412763 /nfs/dbraw/zinc/41/27/63/947412763.db2.gz VYUNUEBUVSMCRR-LBPRGKRZSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@@H](C(=O)N(C)C)[N@@H+](C)CC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573594989 947412770 /nfs/dbraw/zinc/41/27/70/947412770.db2.gz VYUNUEBUVSMCRR-LBPRGKRZSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC001573595698 947424198 /nfs/dbraw/zinc/42/41/98/947424198.db2.gz HIXKJDHUJSPYTA-GXFFZTMASA-N 0 3 386.378 0.974 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC001573595698 947424206 /nfs/dbraw/zinc/42/42/06/947424206.db2.gz HIXKJDHUJSPYTA-GXFFZTMASA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccn1 ZINC001573596807 947431540 /nfs/dbraw/zinc/43/15/40/947431540.db2.gz LFZPUIYMBQWGPO-CJNGLKHVSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC001573596807 947431548 /nfs/dbraw/zinc/43/15/48/947431548.db2.gz LFZPUIYMBQWGPO-CJNGLKHVSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC001573599001 947446990 /nfs/dbraw/zinc/44/69/90/947446990.db2.gz UADFCLCXXVQAKZ-ZYHUDNBSSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC001573599001 947446998 /nfs/dbraw/zinc/44/69/98/947446998.db2.gz UADFCLCXXVQAKZ-ZYHUDNBSSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573599230 947451866 /nfs/dbraw/zinc/45/18/66/947451866.db2.gz WFMPLTCQCSQQCF-FZMZJTMJSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573599230 947451873 /nfs/dbraw/zinc/45/18/73/947451873.db2.gz WFMPLTCQCSQQCF-FZMZJTMJSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573599750 947460414 /nfs/dbraw/zinc/46/04/14/947460414.db2.gz ZXFIGSWBYPWHMF-GWCFXTLKSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573599750 947460423 /nfs/dbraw/zinc/46/04/23/947460423.db2.gz ZXFIGSWBYPWHMF-GWCFXTLKSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH+]1CCCCCC1 ZINC001573602667 947471424 /nfs/dbraw/zinc/47/14/24/947471424.db2.gz GRWKVWLPURSUOA-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](C(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC001573603208 947481677 /nfs/dbraw/zinc/48/16/77/947481677.db2.gz DWJFIYHICPIJNN-LLVKDONJSA-N 0 3 386.378 0.976 20 0 GCADHN C[C@H](C(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC001573603208 947481683 /nfs/dbraw/zinc/48/16/83/947481683.db2.gz DWJFIYHICPIJNN-LLVKDONJSA-N 0 3 386.378 0.976 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1-c1nnn[n-]1 ZINC000826203012 947603108 /nfs/dbraw/zinc/60/31/08/947603108.db2.gz WGPSTJSSXAHRGU-CXAGYDPISA-N 0 3 393.469 0.701 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1-c1nn[n-]n1 ZINC000826203012 947603111 /nfs/dbraw/zinc/60/31/11/947603111.db2.gz WGPSTJSSXAHRGU-CXAGYDPISA-N 0 3 393.469 0.701 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573620319 947678259 /nfs/dbraw/zinc/67/82/59/947678259.db2.gz ZNKPQBYOZIETFQ-HIFRSBDPSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573620319 947678266 /nfs/dbraw/zinc/67/82/66/947678266.db2.gz ZNKPQBYOZIETFQ-HIFRSBDPSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573629669 947781741 /nfs/dbraw/zinc/78/17/41/947781741.db2.gz OYZGJNKMSOLNOI-OCCSQVGLSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)n1cncn1 ZINC001573639766 947849045 /nfs/dbraw/zinc/84/90/45/947849045.db2.gz CPQVUHIVYCSWBB-DGCLKSJQSA-N 0 3 385.407 0.549 20 0 GCADHN C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573645854 947871762 /nfs/dbraw/zinc/87/17/62/947871762.db2.gz BWTYCQJANQMXRL-YPMHNXCESA-N 0 3 385.407 0.549 20 0 GCADHN C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573645854 947871765 /nfs/dbraw/zinc/87/17/65/947871765.db2.gz BWTYCQJANQMXRL-YPMHNXCESA-N 0 3 385.407 0.549 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC001573387534 947910092 /nfs/dbraw/zinc/91/00/92/947910092.db2.gz BUUVZUMXFALYGR-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573388379 947918325 /nfs/dbraw/zinc/91/83/25/947918325.db2.gz LRVPWFJUGIZFNA-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573388379 947918330 /nfs/dbraw/zinc/91/83/30/947918330.db2.gz LRVPWFJUGIZFNA-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573388381 947918481 /nfs/dbraw/zinc/91/84/81/947918481.db2.gz LRVPWFJUGIZFNA-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573388381 947918486 /nfs/dbraw/zinc/91/84/86/947918486.db2.gz LRVPWFJUGIZFNA-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573388728 947922094 /nfs/dbraw/zinc/92/20/94/947922094.db2.gz OGOXBIHSXSATIA-QGZVFWFLSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573388728 947922100 /nfs/dbraw/zinc/92/21/00/947922100.db2.gz OGOXBIHSXSATIA-QGZVFWFLSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573389133 947923654 /nfs/dbraw/zinc/92/36/54/947923654.db2.gz QRCBVFUFNVVXSL-BZNIZROVSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573389133 947923658 /nfs/dbraw/zinc/92/36/58/947923658.db2.gz QRCBVFUFNVVXSL-BZNIZROVSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573389495 947924430 /nfs/dbraw/zinc/92/44/30/947924430.db2.gz RRIAKBQUYPYSSD-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573389495 947924431 /nfs/dbraw/zinc/92/44/31/947924431.db2.gz RRIAKBQUYPYSSD-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573389104 947924762 /nfs/dbraw/zinc/92/47/62/947924762.db2.gz QCEKDDLXWSEWTL-BXUZGUMPSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573389104 947924767 /nfs/dbraw/zinc/92/47/67/947924767.db2.gz QCEKDDLXWSEWTL-BXUZGUMPSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573389601 947926633 /nfs/dbraw/zinc/92/66/33/947926633.db2.gz UUEDAGCOCLKIKO-UHFFFAOYSA-N 0 3 391.451 0.764 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573389601 947926635 /nfs/dbraw/zinc/92/66/35/947926635.db2.gz UUEDAGCOCLKIKO-UHFFFAOYSA-N 0 3 391.451 0.764 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573389520 947926764 /nfs/dbraw/zinc/92/67/64/947926764.db2.gz RZOIWWBLGYTKQU-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573389520 947926768 /nfs/dbraw/zinc/92/67/68/947926768.db2.gz RZOIWWBLGYTKQU-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573391952 947938931 /nfs/dbraw/zinc/93/89/31/947938931.db2.gz MQUDQQNCHDPDNM-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573391952 947938939 /nfs/dbraw/zinc/93/89/39/947938939.db2.gz MQUDQQNCHDPDNM-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573391993 947940671 /nfs/dbraw/zinc/94/06/71/947940671.db2.gz OCTWNVWALAODOM-OAHLLOKOSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@H]1C ZINC001573394387 947962324 /nfs/dbraw/zinc/96/23/24/947962324.db2.gz SRMGKZPZPYPIFS-BDJLRTHQSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@H]1C ZINC001573394387 947962330 /nfs/dbraw/zinc/96/23/30/947962330.db2.gz SRMGKZPZPYPIFS-BDJLRTHQSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573394416 947964742 /nfs/dbraw/zinc/96/47/42/947964742.db2.gz TVWYDHKDDAGEQO-UHFFFAOYSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573394416 947964749 /nfs/dbraw/zinc/96/47/49/947964749.db2.gz TVWYDHKDDAGEQO-UHFFFAOYSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573394416 947964754 /nfs/dbraw/zinc/96/47/54/947964754.db2.gz TVWYDHKDDAGEQO-UHFFFAOYSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573394416 947964758 /nfs/dbraw/zinc/96/47/58/947964758.db2.gz TVWYDHKDDAGEQO-UHFFFAOYSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573397494 947973079 /nfs/dbraw/zinc/97/30/79/947973079.db2.gz AUMGQHGIQNBETH-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573397494 947973089 /nfs/dbraw/zinc/97/30/89/947973089.db2.gz AUMGQHGIQNBETH-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573398102 947977741 /nfs/dbraw/zinc/97/77/41/947977741.db2.gz GPQFLNCCUFXNCA-LJQANCHMSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573398102 947977749 /nfs/dbraw/zinc/97/77/49/947977749.db2.gz GPQFLNCCUFXNCA-LJQANCHMSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573398187 947978058 /nfs/dbraw/zinc/97/80/58/947978058.db2.gz IDUMMERQAVYPLH-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)NC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573398392 947982099 /nfs/dbraw/zinc/98/20/99/947982099.db2.gz KSWLNSZIQNFELH-UHFFFAOYSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573398553 947985053 /nfs/dbraw/zinc/98/50/53/947985053.db2.gz MTJRXLOBMRLWQM-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573398553 947985055 /nfs/dbraw/zinc/98/50/55/947985055.db2.gz MTJRXLOBMRLWQM-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573399344 947992205 /nfs/dbraw/zinc/99/22/05/947992205.db2.gz VMVDJINTLXUFCD-UHFFFAOYSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)NC1(C)CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573399344 947992211 /nfs/dbraw/zinc/99/22/11/947992211.db2.gz VMVDJINTLXUFCD-UHFFFAOYSA-N 0 3 385.472 0.816 20 0 GCADHN Cc1onc(CC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1-c1nnn[n-]1 ZINC000826343703 947995816 /nfs/dbraw/zinc/99/58/16/947995816.db2.gz KQTWLPSNVUDAPI-UHFFFAOYSA-N 0 3 388.476 0.192 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CC1(C)C ZINC001573403707 948012743 /nfs/dbraw/zinc/01/27/43/948012743.db2.gz NUFGTZLKJYGSMR-INIZCTEOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573403828 948013597 /nfs/dbraw/zinc/01/35/97/948013597.db2.gz OQUQNPWGLRCJLE-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573403828 948013606 /nfs/dbraw/zinc/01/36/06/948013606.db2.gz OQUQNPWGLRCJLE-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573403828 948013610 /nfs/dbraw/zinc/01/36/10/948013610.db2.gz OQUQNPWGLRCJLE-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573403828 948013621 /nfs/dbraw/zinc/01/36/21/948013621.db2.gz OQUQNPWGLRCJLE-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573404327 948021890 /nfs/dbraw/zinc/02/18/90/948021890.db2.gz RXTKFTGIHFHXND-GDBMZVCRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573404327 948021900 /nfs/dbraw/zinc/02/19/00/948021900.db2.gz RXTKFTGIHFHXND-GDBMZVCRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573404470 948023731 /nfs/dbraw/zinc/02/37/31/948023731.db2.gz FRLAZQUKDSJNQU-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573404470 948023740 /nfs/dbraw/zinc/02/37/40/948023740.db2.gz FRLAZQUKDSJNQU-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573404470 948023749 /nfs/dbraw/zinc/02/37/49/948023749.db2.gz FRLAZQUKDSJNQU-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573404470 948023759 /nfs/dbraw/zinc/02/37/59/948023759.db2.gz FRLAZQUKDSJNQU-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573405099 948037570 /nfs/dbraw/zinc/03/75/70/948037570.db2.gz XTQYUSIQSHTVEV-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573405099 948037578 /nfs/dbraw/zinc/03/75/78/948037578.db2.gz XTQYUSIQSHTVEV-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573405099 948037583 /nfs/dbraw/zinc/03/75/83/948037583.db2.gz XTQYUSIQSHTVEV-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573405099 948037590 /nfs/dbraw/zinc/03/75/90/948037590.db2.gz XTQYUSIQSHTVEV-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573663461 948037602 /nfs/dbraw/zinc/03/76/02/948037602.db2.gz LYXZTKASZJOIEP-NWDGAFQWSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573663461 948037609 /nfs/dbraw/zinc/03/76/09/948037609.db2.gz LYXZTKASZJOIEP-NWDGAFQWSA-N 0 3 386.460 0.304 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573405918 948048898 /nfs/dbraw/zinc/04/88/98/948048898.db2.gz YSGBPDGOWUXLLX-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573405918 948048912 /nfs/dbraw/zinc/04/89/12/948048912.db2.gz YSGBPDGOWUXLLX-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001573405918 948048923 /nfs/dbraw/zinc/04/89/23/948048923.db2.gz YSGBPDGOWUXLLX-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001573405918 948048936 /nfs/dbraw/zinc/04/89/36/948048936.db2.gz YSGBPDGOWUXLLX-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573405925 948049291 /nfs/dbraw/zinc/04/92/91/948049291.db2.gz YTIIXMOIVVAWJI-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573405925 948049298 /nfs/dbraw/zinc/04/92/98/948049298.db2.gz YTIIXMOIVVAWJI-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573406370 948050960 /nfs/dbraw/zinc/05/09/60/948050960.db2.gz BTYFQMGQGQJSSH-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573406370 948050971 /nfs/dbraw/zinc/05/09/71/948050971.db2.gz BTYFQMGQGQJSSH-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573406576 948056245 /nfs/dbraw/zinc/05/62/45/948056245.db2.gz LMMNCDUMVSJHIT-QAQDUYKDSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573406576 948056251 /nfs/dbraw/zinc/05/62/51/948056251.db2.gz LMMNCDUMVSJHIT-QAQDUYKDSA-N 0 3 385.472 0.862 20 0 GCADHN Cc1onc(CC(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826347673 948058099 /nfs/dbraw/zinc/05/80/99/948058099.db2.gz ZNHAVGWUYXBXJJ-RYUDHWBXSA-N 0 3 377.449 0.711 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573408517 948067456 /nfs/dbraw/zinc/06/74/56/948067456.db2.gz IWNWJKYMCXQVHC-NNUKFRKNSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573413613 948082198 /nfs/dbraw/zinc/08/21/98/948082198.db2.gz DNFIWKYLIDJQNF-CQSZACIVSA-N 0 3 387.419 0.175 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)[C@@H](C)C2)C1 ZINC001573413416 948082480 /nfs/dbraw/zinc/08/24/80/948082480.db2.gz DMTQTFNYWJDNLN-SJCJKPOMSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)[C@@H](C)C2)C1 ZINC001573413416 948082487 /nfs/dbraw/zinc/08/24/87/948082487.db2.gz DMTQTFNYWJDNLN-SJCJKPOMSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573415188 948104011 /nfs/dbraw/zinc/10/40/11/948104011.db2.gz WJVKPFYIIOVUJS-KRWDZBQOSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573415188 948104021 /nfs/dbraw/zinc/10/40/21/948104021.db2.gz WJVKPFYIIOVUJS-KRWDZBQOSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573419907 948130693 /nfs/dbraw/zinc/13/06/93/948130693.db2.gz VFVIIWIDCFAYMA-NSHDSACASA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573419907 948130695 /nfs/dbraw/zinc/13/06/95/948130695.db2.gz VFVIIWIDCFAYMA-NSHDSACASA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573419893 948130847 /nfs/dbraw/zinc/13/08/47/948130847.db2.gz UYETZYFEJBZFFL-LJQANCHMSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573419893 948130852 /nfs/dbraw/zinc/13/08/52/948130852.db2.gz UYETZYFEJBZFFL-LJQANCHMSA-N 0 3 383.456 0.426 20 0 GCADHN C[C@H](C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCCCC1 ZINC001573677360 948135373 /nfs/dbraw/zinc/13/53/73/948135373.db2.gz CTAULWWDZVJFQB-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573422383 948141338 /nfs/dbraw/zinc/14/13/38/948141338.db2.gz KRSXTQQCOVIMSD-UHFFFAOYSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573422383 948141343 /nfs/dbraw/zinc/14/13/43/948141343.db2.gz KRSXTQQCOVIMSD-UHFFFAOYSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573422395 948142035 /nfs/dbraw/zinc/14/20/35/948142035.db2.gz KXYOUAHRGLXLDK-JTQLQIEISA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573422395 948142042 /nfs/dbraw/zinc/14/20/42/948142042.db2.gz KXYOUAHRGLXLDK-JTQLQIEISA-N 0 3 375.408 0.078 20 0 GCADHN C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)[NH+]1CCCCCC1 ZINC001573678265 948147133 /nfs/dbraw/zinc/14/71/33/948147133.db2.gz CGSCYBSZLYAFAJ-DZGCQCFKSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573679191 948158620 /nfs/dbraw/zinc/15/86/20/948158620.db2.gz JUCPYEWCYMDOLO-KBPBESRZSA-N 0 3 387.492 0.862 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccnc1 ZINC001573679453 948162075 /nfs/dbraw/zinc/16/20/75/948162075.db2.gz IXKLINARGQWPHO-YPMHNXCESA-N 0 3 387.469 0.694 20 0 GCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573431036 948178850 /nfs/dbraw/zinc/17/88/50/948178850.db2.gz UPZXWAHWSYOWOR-IYBDPMFKSA-N 0 3 382.472 0.926 20 0 GCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573431036 948178853 /nfs/dbraw/zinc/17/88/53/948178853.db2.gz UPZXWAHWSYOWOR-IYBDPMFKSA-N 0 3 382.472 0.926 20 0 GCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573431036 948178859 /nfs/dbraw/zinc/17/88/59/948178859.db2.gz UPZXWAHWSYOWOR-IYBDPMFKSA-N 0 3 382.472 0.926 20 0 GCADHN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573431036 948178862 /nfs/dbraw/zinc/17/88/62/948178862.db2.gz UPZXWAHWSYOWOR-IYBDPMFKSA-N 0 3 382.472 0.926 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573435454 948229072 /nfs/dbraw/zinc/22/90/72/948229072.db2.gz WYQWNAUCIQJQSU-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573435454 948229080 /nfs/dbraw/zinc/22/90/80/948229080.db2.gz WYQWNAUCIQJQSU-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573435725 948235064 /nfs/dbraw/zinc/23/50/64/948235064.db2.gz ZXYWEKFPOZRYDC-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573435725 948235072 /nfs/dbraw/zinc/23/50/72/948235072.db2.gz ZXYWEKFPOZRYDC-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573691871 948249119 /nfs/dbraw/zinc/24/91/19/948249119.db2.gz KOGHNGPTCLKTML-YPMHNXCESA-N 0 3 388.407 0.030 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573691871 948249127 /nfs/dbraw/zinc/24/91/27/948249127.db2.gz KOGHNGPTCLKTML-YPMHNXCESA-N 0 3 388.407 0.030 20 0 GCADHN C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573692277 948260822 /nfs/dbraw/zinc/26/08/22/948260822.db2.gz NSRWVJLAVOQDFF-DOMZBBRYSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573692277 948260832 /nfs/dbraw/zinc/26/08/32/948260832.db2.gz NSRWVJLAVOQDFF-DOMZBBRYSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCC1)n1cncn1 ZINC001573693721 948285387 /nfs/dbraw/zinc/28/53/87/948285387.db2.gz YMMREEHOEQQXAN-ZDUSSCGKSA-N 0 3 381.444 0.848 20 0 GCADHN C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCC1)n1cncn1 ZINC001573693721 948285394 /nfs/dbraw/zinc/28/53/94/948285394.db2.gz YMMREEHOEQQXAN-ZDUSSCGKSA-N 0 3 381.444 0.848 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)c1ccco1 ZINC001573693843 948288566 /nfs/dbraw/zinc/28/85/66/948288566.db2.gz UKUOFPVDOJQDAR-SMDDNHRTSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)c1ccco1 ZINC001573693843 948288581 /nfs/dbraw/zinc/28/85/81/948288581.db2.gz UKUOFPVDOJQDAR-SMDDNHRTSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)n1cccn1 ZINC001573694479 948296158 /nfs/dbraw/zinc/29/61/58/948296158.db2.gz WBHACJVVHKLCBE-BXUZGUMPSA-N 0 3 388.407 0.030 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573695061 948299653 /nfs/dbraw/zinc/29/96/53/948299653.db2.gz WSCFTUOMYVMEHA-SCZZXKLOSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573695061 948299662 /nfs/dbraw/zinc/29/96/62/948299662.db2.gz WSCFTUOMYVMEHA-SCZZXKLOSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573696886 948336312 /nfs/dbraw/zinc/33/63/12/948336312.db2.gz ZEFQUEKRHKDNLI-ZOODHJKOSA-N 0 3 392.485 0.284 20 0 GCADHN O=S1(=O)CC[C@@H](C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000826496970 948411357 /nfs/dbraw/zinc/41/13/57/948411357.db2.gz PQWKMNRSUWTNFM-HNNXBMFYSA-N 0 3 390.513 0.855 20 0 GCADHN O=S1(=O)CC[C@@H](C[NH2+]C2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826496970 948411363 /nfs/dbraw/zinc/41/13/63/948411363.db2.gz PQWKMNRSUWTNFM-HNNXBMFYSA-N 0 3 390.513 0.855 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573716488 948499482 /nfs/dbraw/zinc/49/94/82/948499482.db2.gz GPNIAPDMWFPVIL-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573716576 948500418 /nfs/dbraw/zinc/50/04/18/948500418.db2.gz IGCRJCYCHVQWPJ-NWDGAFQWSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)n1cncn1 ZINC001573716576 948500427 /nfs/dbraw/zinc/50/04/27/948500427.db2.gz IGCRJCYCHVQWPJ-NWDGAFQWSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573716933 948502828 /nfs/dbraw/zinc/50/28/28/948502828.db2.gz KHSGLBKFKQTXEK-RYUDHWBXSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573716933 948502836 /nfs/dbraw/zinc/50/28/36/948502836.db2.gz KHSGLBKFKQTXEK-RYUDHWBXSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573725574 948544223 /nfs/dbraw/zinc/54/42/23/948544223.db2.gz BGLFPSPTPCHOKM-XPKDYRNWSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573725574 948544230 /nfs/dbraw/zinc/54/42/30/948544230.db2.gz BGLFPSPTPCHOKM-XPKDYRNWSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCCCC1 ZINC001573732594 948604512 /nfs/dbraw/zinc/60/45/12/948604512.db2.gz SGYPYGVLKBZJPR-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573746754 948684371 /nfs/dbraw/zinc/68/43/71/948684371.db2.gz KWOLSALRAXCBDX-BQDHKBFISA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573746754 948684375 /nfs/dbraw/zinc/68/43/75/948684375.db2.gz KWOLSALRAXCBDX-BQDHKBFISA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573748476 948696677 /nfs/dbraw/zinc/69/66/77/948696677.db2.gz UQDTXLGCXMSSDT-WHOFXGATSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573748476 948696682 /nfs/dbraw/zinc/69/66/82/948696682.db2.gz UQDTXLGCXMSSDT-WHOFXGATSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573753899 948723169 /nfs/dbraw/zinc/72/31/69/948723169.db2.gz YCOTUTKEGDARCL-RAEVTNRLSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573753899 948723176 /nfs/dbraw/zinc/72/31/76/948723176.db2.gz YCOTUTKEGDARCL-RAEVTNRLSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573753897 948723553 /nfs/dbraw/zinc/72/35/53/948723553.db2.gz YCOTUTKEGDARCL-DDWPSWQVSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573753897 948723564 /nfs/dbraw/zinc/72/35/64/948723564.db2.gz YCOTUTKEGDARCL-DDWPSWQVSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(N)=O)[N@@H+]1CC[C@H](C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573754178 948739097 /nfs/dbraw/zinc/73/90/97/948739097.db2.gz CRUKLHINZDIVQT-YPMHNXCESA-N 0 3 386.460 0.243 20 0 GCADHN C[C@H](C(N)=O)[N@H+]1CC[C@H](C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573754178 948739104 /nfs/dbraw/zinc/73/91/04/948739104.db2.gz CRUKLHINZDIVQT-YPMHNXCESA-N 0 3 386.460 0.243 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574916573 948779365 /nfs/dbraw/zinc/77/93/65/948779365.db2.gz DPDUEHLUEXRTBX-LLVKDONJSA-N 0 3 387.423 0.361 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574916573 948779374 /nfs/dbraw/zinc/77/93/74/948779374.db2.gz DPDUEHLUEXRTBX-LLVKDONJSA-N 0 3 387.423 0.361 20 0 GCADHN C[C@@H](CNC(=O)CCc1ccn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574916778 948791042 /nfs/dbraw/zinc/79/10/42/948791042.db2.gz JINDCDNRUWLEGC-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@@H](CNC(=O)CCc1ccn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574916778 948791056 /nfs/dbraw/zinc/79/10/56/948791056.db2.gz JINDCDNRUWLEGC-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1ccnn1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574916881 948793770 /nfs/dbraw/zinc/79/37/70/948793770.db2.gz LUKIXMMUKQQFSB-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1ccnn1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574916881 948793787 /nfs/dbraw/zinc/79/37/87/948793787.db2.gz LUKIXMMUKQQFSB-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)(C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573761299 948841130 /nfs/dbraw/zinc/84/11/30/948841130.db2.gz GOEAXIFQTCMPKN-CYBMUJFWSA-N 0 3 385.476 0.792 20 0 GCADHN CC(C)(C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[NH+]1CCCC1 ZINC001573761739 948847663 /nfs/dbraw/zinc/84/76/63/948847663.db2.gz LURDDLRGRZSWIZ-UHFFFAOYSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H](CNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574918765 948859873 /nfs/dbraw/zinc/85/98/73/948859873.db2.gz PZQCJANQSWLHKY-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574918765 948859886 /nfs/dbraw/zinc/85/98/86/948859886.db2.gz PZQCJANQSWLHKY-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCC1 ZINC001573763933 948878442 /nfs/dbraw/zinc/87/84/42/948878442.db2.gz IUYWMNGJPRPIIY-CYBMUJFWSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@H](CNC(=O)CCc1cncn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574921120 948917174 /nfs/dbraw/zinc/91/71/74/948917174.db2.gz SPQYFDIWAHFEBB-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCC1 ZINC001573766020 948930352 /nfs/dbraw/zinc/93/03/52/948930352.db2.gz UHGHDWMGLYQPBT-STQMWFEESA-N 0 3 383.460 0.321 20 0 GCADHN CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001573771705 948947584 /nfs/dbraw/zinc/94/75/84/948947584.db2.gz LEXNTQDOTLDEPO-ZDUSSCGKSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccccc1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574923471 948948554 /nfs/dbraw/zinc/94/85/54/948948554.db2.gz NNGOKHDXPSMWLI-AWEZNQCLSA-N 0 3 381.440 0.713 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccccc1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574923471 948948565 /nfs/dbraw/zinc/94/85/65/948948565.db2.gz NNGOKHDXPSMWLI-AWEZNQCLSA-N 0 3 381.440 0.713 20 0 GCADHN CC(C)(C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCC1 ZINC001573772756 948965243 /nfs/dbraw/zinc/96/52/43/948965243.db2.gz DNKZRNCPOMIGEX-ZDUSSCGKSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCC1 ZINC001573772755 948965606 /nfs/dbraw/zinc/96/56/06/948965606.db2.gz DNKZRNCPOMIGEX-CYBMUJFWSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)(C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1c[nH]cn1 ZINC001573773422 948982585 /nfs/dbraw/zinc/98/25/85/948982585.db2.gz BJZDBVIFHAKCDC-AWEZNQCLSA-N 0 3 381.444 0.691 20 0 GCADHN CC(C)(C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573774091 948999185 /nfs/dbraw/zinc/99/91/85/948999185.db2.gz KBKQWQWELADBPO-CYBMUJFWSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574926527 949006073 /nfs/dbraw/zinc/00/60/73/949006073.db2.gz SZHMUCHIGMUTPW-LBPRGKRZSA-N 0 3 389.435 0.613 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575244213 949012264 /nfs/dbraw/zinc/01/22/64/949012264.db2.gz YAXOHCCOUZQKNC-CHWSQXEVSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575244213 949012278 /nfs/dbraw/zinc/01/22/78/949012278.db2.gz YAXOHCCOUZQKNC-CHWSQXEVSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCCC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574926839 949024686 /nfs/dbraw/zinc/02/46/86/949024686.db2.gz YNBBORNZKOHJPN-CQSZACIVSA-N 0 3 385.472 0.864 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCCC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574926839 949024703 /nfs/dbraw/zinc/02/47/03/949024703.db2.gz YNBBORNZKOHJPN-CQSZACIVSA-N 0 3 385.472 0.864 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574927565 949043286 /nfs/dbraw/zinc/04/32/86/949043286.db2.gz KFTDMFNEYRSCRZ-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574927565 949043272 /nfs/dbraw/zinc/04/32/72/949043272.db2.gz KFTDMFNEYRSCRZ-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574928306 949057665 /nfs/dbraw/zinc/05/76/65/949057665.db2.gz OPIYLPBHAIUNQA-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574928306 949057676 /nfs/dbraw/zinc/05/76/76/949057676.db2.gz OPIYLPBHAIUNQA-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574928306 949057644 /nfs/dbraw/zinc/05/76/44/949057644.db2.gz OPIYLPBHAIUNQA-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574928306 949057696 /nfs/dbraw/zinc/05/76/96/949057696.db2.gz OPIYLPBHAIUNQA-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H](CN(C)C(=O)C(C)(C)C(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574694084 949065809 /nfs/dbraw/zinc/06/58/09/949065809.db2.gz KMOVKYFAMMPDNH-JTQLQIEISA-N 0 3 377.424 0.454 20 0 GCADHN C[C@@H](CNC(=O)COC[C@H]1CCCO1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574929202 949082542 /nfs/dbraw/zinc/08/25/42/949082542.db2.gz ASWXLSXRLNVQBE-GOEBONIOSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CNC(=O)COC[C@H]1CCCO1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574929202 949082599 /nfs/dbraw/zinc/08/25/99/949082599.db2.gz ASWXLSXRLNVQBE-GOEBONIOSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CNC(=O)COC[C@H]1CCCO1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574929202 949082560 /nfs/dbraw/zinc/08/25/60/949082560.db2.gz ASWXLSXRLNVQBE-GOEBONIOSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CNC(=O)COC[C@H]1CCCO1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574929202 949082580 /nfs/dbraw/zinc/08/25/80/949082580.db2.gz ASWXLSXRLNVQBE-GOEBONIOSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574929801 949100453 /nfs/dbraw/zinc/10/04/53/949100453.db2.gz HUFYLAYHPOXUDY-AAEUAGOBSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574929848 949105652 /nfs/dbraw/zinc/10/56/52/949105652.db2.gz IIYVMFCNAGAUBD-FZMZJTMJSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574929848 949105665 /nfs/dbraw/zinc/10/56/65/949105665.db2.gz IIYVMFCNAGAUBD-FZMZJTMJSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574931072 949113503 /nfs/dbraw/zinc/11/35/03/949113503.db2.gz NDPAIYGMHHKJLP-ZDUSSCGKSA-N 0 3 388.476 0.313 20 0 GCADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574931072 949113491 /nfs/dbraw/zinc/11/34/91/949113491.db2.gz NDPAIYGMHHKJLP-ZDUSSCGKSA-N 0 3 388.476 0.313 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574446911 949144726 /nfs/dbraw/zinc/14/47/26/949144726.db2.gz AQQWEFUEGQCPDM-CQSZACIVSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574446911 949144741 /nfs/dbraw/zinc/14/47/41/949144741.db2.gz AQQWEFUEGQCPDM-CQSZACIVSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001573786830 949149524 /nfs/dbraw/zinc/14/95/24/949149524.db2.gz DWDSIHOPEBZYPG-JOCQHMNTSA-N 0 3 385.476 0.838 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574447123 949153924 /nfs/dbraw/zinc/15/39/24/949153924.db2.gz HARIKKLVZCBBCD-JTQLQIEISA-N 0 3 391.457 0.920 20 0 GCADHN C[C@H](CNC(=O)COCc1nccn1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574934750 949176697 /nfs/dbraw/zinc/17/66/97/949176697.db2.gz PVCAIAXCAAOYCO-CYBMUJFWSA-N 0 3 384.444 0.411 20 0 GCADHN C[C@H](CNC(=O)COCc1nccn1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574934750 949176707 /nfs/dbraw/zinc/17/67/07/949176707.db2.gz PVCAIAXCAAOYCO-CYBMUJFWSA-N 0 3 384.444 0.411 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573787588 949182277 /nfs/dbraw/zinc/18/22/77/949182277.db2.gz YDLVNNGEFDVDBZ-OKILXGFUSA-N 0 3 392.485 0.427 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573787588 949182288 /nfs/dbraw/zinc/18/22/88/949182288.db2.gz YDLVNNGEFDVDBZ-OKILXGFUSA-N 0 3 392.485 0.427 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573788595 949198462 /nfs/dbraw/zinc/19/84/62/949198462.db2.gz OKAPYROTKANWFL-ZDUSSCGKSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573788595 949198471 /nfs/dbraw/zinc/19/84/71/949198471.db2.gz OKAPYROTKANWFL-ZDUSSCGKSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573788595 949198485 /nfs/dbraw/zinc/19/84/85/949198485.db2.gz OKAPYROTKANWFL-ZDUSSCGKSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573788595 949198499 /nfs/dbraw/zinc/19/84/99/949198499.db2.gz OKAPYROTKANWFL-ZDUSSCGKSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NC[C@@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001573788586 949199645 /nfs/dbraw/zinc/19/96/45/949199645.db2.gz OBOAQZVXQIVYDW-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574451122 949217400 /nfs/dbraw/zinc/21/74/00/949217400.db2.gz CQCMGLUNTDEVQY-ZDUSSCGKSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574451122 949217420 /nfs/dbraw/zinc/21/74/20/949217420.db2.gz CQCMGLUNTDEVQY-ZDUSSCGKSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001574452909 949273108 /nfs/dbraw/zinc/27/31/08/949273108.db2.gz RDCPCAUHEICNMZ-MRXNPFEDSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001574452909 949273128 /nfs/dbraw/zinc/27/31/28/949273128.db2.gz RDCPCAUHEICNMZ-MRXNPFEDSA-N 0 3 384.444 0.525 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574702375 949276659 /nfs/dbraw/zinc/27/66/59/949276659.db2.gz HXBYMFMGLRVWTC-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574702375 949276677 /nfs/dbraw/zinc/27/66/77/949276677.db2.gz HXBYMFMGLRVWTC-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574702418 949283709 /nfs/dbraw/zinc/28/37/09/949283709.db2.gz IVCHQFDYQVISHK-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574702418 949283730 /nfs/dbraw/zinc/28/37/30/949283730.db2.gz IVCHQFDYQVISHK-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)Cc1cncn1C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574941232 949301113 /nfs/dbraw/zinc/30/11/13/949301113.db2.gz BXMVYDCGFYBUSV-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CNC(=O)Cc1cncn1C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574941232 949301140 /nfs/dbraw/zinc/30/11/40/949301140.db2.gz BXMVYDCGFYBUSV-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001575863406 949351270 /nfs/dbraw/zinc/35/12/70/949351270.db2.gz CEXKXCISTADONS-SNVBAGLBSA-N 0 3 378.462 0.190 20 0 GCADHN C[C@H](CN(C)C(=O)C1=COCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574704473 949387566 /nfs/dbraw/zinc/38/75/66/949387566.db2.gz NEHNBVZDUKGJIR-LLVKDONJSA-N 0 3 376.392 0.831 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574705136 949416893 /nfs/dbraw/zinc/41/68/93/949416893.db2.gz RNRLJNJAZAJVGJ-FZMZJTMJSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265564 949450616 /nfs/dbraw/zinc/45/06/16/949450616.db2.gz USWCLEBOXGDOGU-VXGBXAGGSA-N 0 3 375.502 0.816 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265564 949450625 /nfs/dbraw/zinc/45/06/25/949450625.db2.gz USWCLEBOXGDOGU-VXGBXAGGSA-N 0 3 375.502 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574708263 949490029 /nfs/dbraw/zinc/49/00/29/949490029.db2.gz UVKHDPTVNDERGH-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574708263 949490042 /nfs/dbraw/zinc/49/00/42/949490042.db2.gz UVKHDPTVNDERGH-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H]1CCCC[C@@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576158178 949494658 /nfs/dbraw/zinc/49/46/58/949494658.db2.gz SMYNHSNOZHFGJC-XIKOKIGWSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CC(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574470475 949501887 /nfs/dbraw/zinc/50/18/87/949501887.db2.gz BWHWRWZBRQZQBQ-XGNXJENSSA-N 0 3 386.460 0.393 20 0 GCADHN C[C@@H](CC(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574470475 949501895 /nfs/dbraw/zinc/50/18/95/949501895.db2.gz BWHWRWZBRQZQBQ-XGNXJENSSA-N 0 3 386.460 0.393 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575268739 949525706 /nfs/dbraw/zinc/52/57/06/949525706.db2.gz ONICSDFJCCMMOC-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575268739 949525721 /nfs/dbraw/zinc/52/57/21/949525721.db2.gz ONICSDFJCCMMOC-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575268739 949525752 /nfs/dbraw/zinc/52/57/52/949525752.db2.gz ONICSDFJCCMMOC-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575268739 949525775 /nfs/dbraw/zinc/52/57/75/949525775.db2.gz ONICSDFJCCMMOC-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574950226 949534485 /nfs/dbraw/zinc/53/44/85/949534485.db2.gz MVEPZNLACQDLQR-BBRMVZONSA-N 0 3 385.472 0.860 20 0 GCADHN C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574471762 949537448 /nfs/dbraw/zinc/53/74/48/949537448.db2.gz MZUZFQKRQDVZOB-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574471762 949537462 /nfs/dbraw/zinc/53/74/62/949537462.db2.gz MZUZFQKRQDVZOB-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574711455 949537702 /nfs/dbraw/zinc/53/77/02/949537702.db2.gz HJSPZZXJTAEHBO-YPMHNXCESA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574711455 949537718 /nfs/dbraw/zinc/53/77/18/949537718.db2.gz HJSPZZXJTAEHBO-YPMHNXCESA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574471767 949538843 /nfs/dbraw/zinc/53/88/43/949538843.db2.gz MZUZFQKRQDVZOB-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574471767 949538859 /nfs/dbraw/zinc/53/88/59/949538859.db2.gz MZUZFQKRQDVZOB-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN CC(C)c1nnnn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574950764 949544895 /nfs/dbraw/zinc/54/48/95/949544895.db2.gz UCAPSLODDNFODY-LBPRGKRZSA-N 0 3 384.448 0.271 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711803 949556254 /nfs/dbraw/zinc/55/62/54/949556254.db2.gz MLDMSBQELMJGBO-CHWSQXEVSA-N 0 3 381.444 0.402 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711875 949558918 /nfs/dbraw/zinc/55/89/18/949558918.db2.gz NJQDOQBJJSHGPH-MLGOLLRUSA-N 0 3 391.451 0.273 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574712236 949575629 /nfs/dbraw/zinc/57/56/29/949575629.db2.gz QWMZHFDXRJRPGZ-TVQRCGJNSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1COCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574712371 949576503 /nfs/dbraw/zinc/57/65/03/949576503.db2.gz RLGKGWLPIDMWIY-XHDPSFHLSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574712438 949581341 /nfs/dbraw/zinc/58/13/41/949581341.db2.gz SKORCFMOPYWKJI-NOZJJQNGSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574712438 949581359 /nfs/dbraw/zinc/58/13/59/949581359.db2.gz SKORCFMOPYWKJI-NOZJJQNGSA-N 0 3 377.380 0.051 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1COCCO1 ZINC001573810813 949582536 /nfs/dbraw/zinc/58/25/36/949582536.db2.gz DCHVVUSCHYTOEE-JKSUJKDBSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1COCCO1 ZINC001573810813 949582557 /nfs/dbraw/zinc/58/25/57/949582557.db2.gz DCHVVUSCHYTOEE-JKSUJKDBSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]CCN1CCCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573811322 949596613 /nfs/dbraw/zinc/59/66/13/949596613.db2.gz KFORYDXRCUFAPT-AWEZNQCLSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]CCN1CCCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573811322 949596629 /nfs/dbraw/zinc/59/66/29/949596629.db2.gz KFORYDXRCUFAPT-AWEZNQCLSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001575270535 949598382 /nfs/dbraw/zinc/59/83/82/949598382.db2.gz DOOUAQFWKCYRKU-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001575270535 949598399 /nfs/dbraw/zinc/59/83/99/949598399.db2.gz DOOUAQFWKCYRKU-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574957172 949600198 /nfs/dbraw/zinc/60/01/98/949600198.db2.gz RUTWKXSCEBAXIR-HZMBPMFUSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874104 949602190 /nfs/dbraw/zinc/60/21/90/949602190.db2.gz RFHFOGVQCJAGTK-FZMZJTMJSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575271067 949609624 /nfs/dbraw/zinc/60/96/24/949609624.db2.gz HUDUTPAKABIPDH-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575271067 949609636 /nfs/dbraw/zinc/60/96/36/949609636.db2.gz HUDUTPAKABIPDH-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575271071 949611786 /nfs/dbraw/zinc/61/17/86/949611786.db2.gz HVCRDHAZFBVXOQ-WFASDCNBSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575271071 949611796 /nfs/dbraw/zinc/61/17/96/949611796.db2.gz HVCRDHAZFBVXOQ-WFASDCNBSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CC(=O)N(C)C[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F)NC(N)=O ZINC001574713727 949613758 /nfs/dbraw/zinc/61/37/58/949613758.db2.gz BQVYPQSGKOVUOT-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CC(=O)N(C)C[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F)NC(N)=O ZINC001574713729 949614278 /nfs/dbraw/zinc/61/42/78/949614278.db2.gz BQVYPQSGKOVUOT-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874811 949622625 /nfs/dbraw/zinc/62/26/25/949622625.db2.gz HCNDURHPPDYXMD-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874811 949622639 /nfs/dbraw/zinc/62/26/39/949622639.db2.gz HCNDURHPPDYXMD-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575273826 949673847 /nfs/dbraw/zinc/67/38/47/949673847.db2.gz YGGWJSQDDBNBJV-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575273826 949673872 /nfs/dbraw/zinc/67/38/72/949673872.db2.gz YGGWJSQDDBNBJV-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716585 949698037 /nfs/dbraw/zinc/69/80/37/949698037.db2.gz KQMXJCCECCVDOI-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716585 949698043 /nfs/dbraw/zinc/69/80/43/949698043.db2.gz KQMXJCCECCVDOI-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574716462 949698369 /nfs/dbraw/zinc/69/83/69/949698369.db2.gz OZACHMRTKZEVNI-CZUORRHYSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574716795 949706178 /nfs/dbraw/zinc/70/61/78/949706178.db2.gz LYMMEQBBXJQQPL-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574716795 949706195 /nfs/dbraw/zinc/70/61/95/949706195.db2.gz LYMMEQBBXJQQPL-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574959358 949706998 /nfs/dbraw/zinc/70/69/98/949706998.db2.gz QIFWZPQMIXIRPX-DAXOMENPSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574959358 949707014 /nfs/dbraw/zinc/70/70/14/949707014.db2.gz QIFWZPQMIXIRPX-DAXOMENPSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716879 949711960 /nfs/dbraw/zinc/71/19/60/949711960.db2.gz MFUDMHBJXWXOBY-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716879 949711968 /nfs/dbraw/zinc/71/19/68/949711968.db2.gz MFUDMHBJXWXOBY-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574962945 949744890 /nfs/dbraw/zinc/74/48/90/949744890.db2.gz FZNPAFFMDOTFEO-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574962945 949744899 /nfs/dbraw/zinc/74/48/99/949744899.db2.gz FZNPAFFMDOTFEO-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574962945 949744911 /nfs/dbraw/zinc/74/49/11/949744911.db2.gz FZNPAFFMDOTFEO-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574962945 949744924 /nfs/dbraw/zinc/74/49/24/949744924.db2.gz FZNPAFFMDOTFEO-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575882005 949748138 /nfs/dbraw/zinc/74/81/38/949748138.db2.gz FEPGMAXHSIFRLI-CJNGLKHVSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574718013 949755700 /nfs/dbraw/zinc/75/57/00/949755700.db2.gz REFXYMAQUPGIIH-RYUDHWBXSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576171299 949757867 /nfs/dbraw/zinc/75/78/67/949757867.db2.gz QDDNCFGGPBHWLA-XJKSGUPXSA-N 0 3 381.444 0.619 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574964558 949780092 /nfs/dbraw/zinc/78/00/92/949780092.db2.gz YBENXFCSRZIGGE-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574964558 949780106 /nfs/dbraw/zinc/78/01/06/949780106.db2.gz YBENXFCSRZIGGE-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574720490 949791512 /nfs/dbraw/zinc/79/15/12/949791512.db2.gz APUVFQQGZNZNCV-JTQLQIEISA-N 0 3 378.412 0.001 20 0 GCADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574720490 949791523 /nfs/dbraw/zinc/79/15/23/949791523.db2.gz APUVFQQGZNZNCV-JTQLQIEISA-N 0 3 378.412 0.001 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281017 949796859 /nfs/dbraw/zinc/79/68/59/949796859.db2.gz BPKZPCDCWFRLBB-CDWSIMAYSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576172269 949797236 /nfs/dbraw/zinc/79/72/36/949797236.db2.gz WALAHXNWICFZHO-WFASDCNBSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576172269 949797253 /nfs/dbraw/zinc/79/72/53/949797253.db2.gz WALAHXNWICFZHO-WFASDCNBSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575281221 949803233 /nfs/dbraw/zinc/80/32/33/949803233.db2.gz DWBREIQNPWYBAH-VXGBXAGGSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575281221 949803251 /nfs/dbraw/zinc/80/32/51/949803251.db2.gz DWBREIQNPWYBAH-VXGBXAGGSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281290 949809247 /nfs/dbraw/zinc/80/92/47/949809247.db2.gz FGWVWNBXJYCJKJ-STQMWFEESA-N 0 3 388.476 0.678 20 0 GCADHN C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281290 949809268 /nfs/dbraw/zinc/80/92/68/949809268.db2.gz FGWVWNBXJYCJKJ-STQMWFEESA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574722161 949831523 /nfs/dbraw/zinc/83/15/23/949831523.db2.gz QLAUYKDWRSASJD-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574722161 949831535 /nfs/dbraw/zinc/83/15/35/949831535.db2.gz QLAUYKDWRSASJD-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574722139 949833082 /nfs/dbraw/zinc/83/30/82/949833082.db2.gz PYPFTGKTERCHMG-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574722139 949833098 /nfs/dbraw/zinc/83/30/98/949833098.db2.gz PYPFTGKTERCHMG-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574724839 949876370 /nfs/dbraw/zinc/87/63/70/949876370.db2.gz KMAJFVXOGAAMCL-GFCCVEGCSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574724839 949876389 /nfs/dbraw/zinc/87/63/89/949876389.db2.gz KMAJFVXOGAAMCL-GFCCVEGCSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@@H](NC(=O)C[NH2+][C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)C1CC1 ZINC001575283504 949877311 /nfs/dbraw/zinc/87/73/11/949877311.db2.gz PBZGPWSMCCSYRC-MEBBXXQBSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](C[NH2+][C@H](C)C(=O)N1CCC(C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576178217 949880756 /nfs/dbraw/zinc/88/07/56/949880756.db2.gz GNNDDEHAKDNLGZ-CHWSQXEVSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](C[NH2+][C@@H](C)C(=O)N1CCC(C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576178220 949882244 /nfs/dbraw/zinc/88/22/44/949882244.db2.gz GNNDDEHAKDNLGZ-STQMWFEESA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574725048 949888799 /nfs/dbraw/zinc/88/87/99/949888799.db2.gz OESCQJDIFTXWCV-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968420 949899495 /nfs/dbraw/zinc/89/94/95/949899495.db2.gz PFXZYPJFRUSAMG-SWLSCSKDSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968420 949899510 /nfs/dbraw/zinc/89/95/10/949899510.db2.gz PFXZYPJFRUSAMG-SWLSCSKDSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1ccnn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574725301 949900639 /nfs/dbraw/zinc/90/06/39/949900639.db2.gz RIHUTUBUCBTTRM-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1ccnn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574725301 949900654 /nfs/dbraw/zinc/90/06/54/949900654.db2.gz RIHUTUBUCBTTRM-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574725644 949903362 /nfs/dbraw/zinc/90/33/62/949903362.db2.gz UQRJFTLBSKSWPM-GFCCVEGCSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574725644 949903378 /nfs/dbraw/zinc/90/33/78/949903378.db2.gz UQRJFTLBSKSWPM-GFCCVEGCSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574725654 949905879 /nfs/dbraw/zinc/90/58/79/949905879.db2.gz VBABRORHYLCVBV-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574725716 949910936 /nfs/dbraw/zinc/91/09/36/949910936.db2.gz BPMUCGAAKOKSRK-DOMZBBRYSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574725716 949910948 /nfs/dbraw/zinc/91/09/48/949910948.db2.gz BPMUCGAAKOKSRK-DOMZBBRYSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574725852 949913180 /nfs/dbraw/zinc/91/31/80/949913180.db2.gz CUXUAAGYOWSHBQ-GDBMZVCRSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574725852 949913201 /nfs/dbraw/zinc/91/32/01/949913201.db2.gz CUXUAAGYOWSHBQ-GDBMZVCRSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575284688 949916165 /nfs/dbraw/zinc/91/61/65/949916165.db2.gz VNUHYUKLYOYFBZ-JTNHKYCSSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284688 949916188 /nfs/dbraw/zinc/91/61/88/949916188.db2.gz VNUHYUKLYOYFBZ-JTNHKYCSSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574485219 949919046 /nfs/dbraw/zinc/91/90/46/949919046.db2.gz VDCMRMAPSHPSBQ-TZMCWYRMSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(N)=O ZINC001574485219 949919063 /nfs/dbraw/zinc/91/90/63/949919063.db2.gz VDCMRMAPSHPSBQ-TZMCWYRMSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001574487646 949930019 /nfs/dbraw/zinc/93/00/19/949930019.db2.gz APFCHPYUFAAHFP-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001574487646 949930025 /nfs/dbraw/zinc/93/00/25/949930025.db2.gz APFCHPYUFAAHFP-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](CC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574487622 949932800 /nfs/dbraw/zinc/93/28/00/949932800.db2.gz AMMZMUHMTMNLSW-KPZWWZAWSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574487622 949932814 /nfs/dbraw/zinc/93/28/14/949932814.db2.gz AMMZMUHMTMNLSW-KPZWWZAWSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574726298 949934807 /nfs/dbraw/zinc/93/48/07/949934807.db2.gz YSYMUSIKEIKYRS-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574726298 949934830 /nfs/dbraw/zinc/93/48/30/949934830.db2.gz YSYMUSIKEIKYRS-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@H](C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001574487720 949937023 /nfs/dbraw/zinc/93/70/23/949937023.db2.gz BJLDCQKUBVCLNJ-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001574487720 949937043 /nfs/dbraw/zinc/93/70/43/949937043.db2.gz BJLDCQKUBVCLNJ-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575285543 949946059 /nfs/dbraw/zinc/94/60/59/949946059.db2.gz OJBFHDFBYRRXQW-KBPBESRZSA-N 0 3 387.492 0.718 20 0 GCADHN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575285543 949946084 /nfs/dbraw/zinc/94/60/84/949946084.db2.gz OJBFHDFBYRRXQW-KBPBESRZSA-N 0 3 387.492 0.718 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576180177 949946907 /nfs/dbraw/zinc/94/69/07/949946907.db2.gz CQGBEZHBRCPYOV-QWHCGFSZSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574726926 949949800 /nfs/dbraw/zinc/94/98/00/949949800.db2.gz MMWNKGIVTQKLIH-YOEHRIQHSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574726926 949949820 /nfs/dbraw/zinc/94/98/20/949949820.db2.gz MMWNKGIVTQKLIH-YOEHRIQHSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574726923 949950051 /nfs/dbraw/zinc/95/00/51/949950051.db2.gz MMWNKGIVTQKLIH-PBHICJAKSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574726923 949950073 /nfs/dbraw/zinc/95/00/73/949950073.db2.gz MMWNKGIVTQKLIH-PBHICJAKSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574489332 949958965 /nfs/dbraw/zinc/95/89/65/949958965.db2.gz INQCKMKIQXUXAW-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574489332 949958981 /nfs/dbraw/zinc/95/89/81/949958981.db2.gz INQCKMKIQXUXAW-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147959 949963771 /nfs/dbraw/zinc/96/37/71/949963771.db2.gz HDPTUJPNUFBSBP-OLZOCXBDSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147959 949963791 /nfs/dbraw/zinc/96/37/91/949963791.db2.gz HDPTUJPNUFBSBP-OLZOCXBDSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147959 949963816 /nfs/dbraw/zinc/96/38/16/949963816.db2.gz HDPTUJPNUFBSBP-OLZOCXBDSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147959 949963836 /nfs/dbraw/zinc/96/38/36/949963836.db2.gz HDPTUJPNUFBSBP-OLZOCXBDSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147960 949967113 /nfs/dbraw/zinc/96/71/13/949967113.db2.gz HDPTUJPNUFBSBP-QWHCGFSZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147960 949967129 /nfs/dbraw/zinc/96/71/29/949967129.db2.gz HDPTUJPNUFBSBP-QWHCGFSZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147960 949967152 /nfs/dbraw/zinc/96/71/52/949967152.db2.gz HDPTUJPNUFBSBP-QWHCGFSZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147960 949967169 /nfs/dbraw/zinc/96/71/69/949967169.db2.gz HDPTUJPNUFBSBP-QWHCGFSZSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1cncn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574728463 949982992 /nfs/dbraw/zinc/98/29/92/949982992.db2.gz ATZAFQOVTWAUGG-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN CC(C)C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574148478 949989697 /nfs/dbraw/zinc/98/96/97/949989697.db2.gz OCJGMRSYDMQUAS-CYBMUJFWSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148478 949989719 /nfs/dbraw/zinc/98/97/19/949989719.db2.gz OCJGMRSYDMQUAS-CYBMUJFWSA-N 0 3 376.465 0.407 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001574975000 950014389 /nfs/dbraw/zinc/01/43/89/950014389.db2.gz UOSVMXRROYAZBW-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1ccn(C)n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574730297 950025017 /nfs/dbraw/zinc/02/50/17/950025017.db2.gz QUIRPVOVMDDETG-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575574780 950025404 /nfs/dbraw/zinc/02/54/04/950025404.db2.gz YXBBEUQIAOLISJ-CYBMUJFWSA-N 0 3 392.435 0.389 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cnnn1C ZINC001574150589 950029409 /nfs/dbraw/zinc/02/94/09/950029409.db2.gz BYTIVIDWKUIGTB-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cnnn1C ZINC001574150589 950029428 /nfs/dbraw/zinc/02/94/28/950029428.db2.gz BYTIVIDWKUIGTB-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150409 950029747 /nfs/dbraw/zinc/02/97/47/950029747.db2.gz ZOAQLXSFRUKLCI-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150409 950029763 /nfs/dbraw/zinc/02/97/63/950029763.db2.gz ZOAQLXSFRUKLCI-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150409 950029784 /nfs/dbraw/zinc/02/97/84/950029784.db2.gz ZOAQLXSFRUKLCI-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150409 950029807 /nfs/dbraw/zinc/02/98/07/950029807.db2.gz ZOAQLXSFRUKLCI-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cn(C)nn1 ZINC001574150960 950044578 /nfs/dbraw/zinc/04/45/78/950044578.db2.gz ICVWXFCEJSWCHE-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cn(C)nn1 ZINC001574150960 950044600 /nfs/dbraw/zinc/04/46/00/950044600.db2.gz ICVWXFCEJSWCHE-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575892143 950055389 /nfs/dbraw/zinc/05/53/89/950055389.db2.gz SBPVIMZZWSWOCX-WCQYABFASA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H](CC(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1)NC(N)=O ZINC001574492158 950064994 /nfs/dbraw/zinc/06/49/94/950064994.db2.gz JYRRXDFVFZFBTL-GFCCVEGCSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575576542 950070801 /nfs/dbraw/zinc/07/08/01/950070801.db2.gz QWOGUDGWKAQRIM-ACJLOTCBSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575576542 950070818 /nfs/dbraw/zinc/07/08/18/950070818.db2.gz QWOGUDGWKAQRIM-ACJLOTCBSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@H](CC(=O)NC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574492258 950072873 /nfs/dbraw/zinc/07/28/73/950072873.db2.gz LOOOLTPTBABYQH-GFCCVEGCSA-N 0 3 386.460 0.394 20 0 GCADHN CC(C)C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151424 950073521 /nfs/dbraw/zinc/07/35/21/950073521.db2.gz QZUBLRVFHKZELF-KBPBESRZSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575892752 950081327 /nfs/dbraw/zinc/08/13/27/950081327.db2.gz ZFCJYOLSKJQNSS-NEPJUHHUSA-N 0 3 384.444 0.010 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1COCCO1 ZINC001574151531 950086228 /nfs/dbraw/zinc/08/62/28/950086228.db2.gz UMWRJKSIWBFGFI-SJORKVTESA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1COCCO1 ZINC001574151531 950086256 /nfs/dbraw/zinc/08/62/56/950086256.db2.gz UMWRJKSIWBFGFI-SJORKVTESA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574976740 950096046 /nfs/dbraw/zinc/09/60/46/950096046.db2.gz ZPYRQSOKUVKAKU-OCCSQVGLSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574976740 950096065 /nfs/dbraw/zinc/09/60/65/950096065.db2.gz ZPYRQSOKUVKAKU-OCCSQVGLSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574976740 950096084 /nfs/dbraw/zinc/09/60/84/950096084.db2.gz ZPYRQSOKUVKAKU-OCCSQVGLSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574976740 950096103 /nfs/dbraw/zinc/09/61/03/950096103.db2.gz ZPYRQSOKUVKAKU-OCCSQVGLSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574151857 950096645 /nfs/dbraw/zinc/09/66/45/950096645.db2.gz ZNKKNBPUYYQYEF-GJZGRUSLSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574151857 950096675 /nfs/dbraw/zinc/09/66/75/950096675.db2.gz ZNKKNBPUYYQYEF-GJZGRUSLSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1cn(C)nn1 ZINC001574152365 950099528 /nfs/dbraw/zinc/09/95/28/950099528.db2.gz APWKLRZUQAAPKO-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1cn(C)nn1 ZINC001574152365 950099545 /nfs/dbraw/zinc/09/95/45/950099545.db2.gz APWKLRZUQAAPKO-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC001574977994 950130357 /nfs/dbraw/zinc/13/03/57/950130357.db2.gz PCOSDVHBVIRMPG-GXTWGEPZSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576184605 950132957 /nfs/dbraw/zinc/13/29/57/950132957.db2.gz WEDCHTCGILDANB-TZMCWYRMSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576184605 950132969 /nfs/dbraw/zinc/13/29/69/950132969.db2.gz WEDCHTCGILDANB-TZMCWYRMSA-N 0 3 388.476 0.361 20 0 GCADHN CC(C)[C@H](CNC(=O)C[C@@H](C)NC(N)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574493840 950143474 /nfs/dbraw/zinc/14/34/74/950143474.db2.gz IEDJQXAKNFZPES-DOMZBBRYSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)[C@H](CNC(=O)C[C@@H](C)NC(N)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574493840 950143490 /nfs/dbraw/zinc/14/34/90/950143490.db2.gz IEDJQXAKNFZPES-DOMZBBRYSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574153671 950147066 /nfs/dbraw/zinc/14/70/66/950147066.db2.gz VRGLAGSVUQZSOZ-HIFRSBDPSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574153671 950147079 /nfs/dbraw/zinc/14/70/79/950147079.db2.gz VRGLAGSVUQZSOZ-HIFRSBDPSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@@H](CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574493935 950147292 /nfs/dbraw/zinc/14/72/92/950147292.db2.gz VLTUANKTTZNAAC-ZOODHJKOSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574493935 950147306 /nfs/dbraw/zinc/14/73/06/950147306.db2.gz VLTUANKTTZNAAC-ZOODHJKOSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C[NH2+]Cc1cnns1 ZINC001576190701 950166868 /nfs/dbraw/zinc/16/68/68/950166868.db2.gz DFRVMQFJCJBHRZ-PWSUYJOCSA-N 0 3 387.473 0.934 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001576190702 950171245 /nfs/dbraw/zinc/17/12/45/950171245.db2.gz DFRVMQFJCJBHRZ-ZYHUDNBSSA-N 0 3 387.473 0.934 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574738348 950171736 /nfs/dbraw/zinc/17/17/36/950171736.db2.gz FGGROVQXYUTROK-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574154754 950180174 /nfs/dbraw/zinc/18/01/74/950180174.db2.gz HBLGRCCVNBAJIL-ZIAGYGMSSA-N 0 3 387.492 0.941 20 0 GCADHN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001574154754 950180181 /nfs/dbraw/zinc/18/01/81/950180181.db2.gz HBLGRCCVNBAJIL-ZIAGYGMSSA-N 0 3 387.492 0.941 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574739162 950186511 /nfs/dbraw/zinc/18/65/11/950186511.db2.gz MEGJSBPDIAIELJ-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574739162 950186519 /nfs/dbraw/zinc/18/65/19/950186519.db2.gz MEGJSBPDIAIELJ-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574739173 950188038 /nfs/dbraw/zinc/18/80/38/950188038.db2.gz MHPSVGNDSHVXIU-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574739173 950188052 /nfs/dbraw/zinc/18/80/52/950188052.db2.gz MHPSVGNDSHVXIU-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CCn1cc(Cl)cn1 ZINC001574739231 950191570 /nfs/dbraw/zinc/19/15/70/950191570.db2.gz NIHDFOYRYUCVIP-JTQLQIEISA-N 0 3 377.840 0.795 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+][C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573844586 950196889 /nfs/dbraw/zinc/19/68/89/950196889.db2.gz CDYLXBSMKAUDLH-CQSZACIVSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)C12CCC[NH+]1CCC2 ZINC001574983210 950205810 /nfs/dbraw/zinc/20/58/10/950205810.db2.gz MNRLHHQQTGONAM-LBPRGKRZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)C12CCC[NH+]1CCC2 ZINC001574983210 950205827 /nfs/dbraw/zinc/20/58/27/950205827.db2.gz MNRLHHQQTGONAM-LBPRGKRZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1ccnc1 ZINC001574496520 950218629 /nfs/dbraw/zinc/21/86/29/950218629.db2.gz XDVDBDLATIIRFN-VXGBXAGGSA-N 0 3 390.473 0.343 20 0 GCADHN C[C@@H]1[C@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575901157 950218652 /nfs/dbraw/zinc/21/86/52/950218652.db2.gz LTPCKYBUHOTDBQ-ZWNOBZJWSA-N 0 3 389.851 0.938 20 0 GCADHN C[C@@H]1[C@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901157 950218673 /nfs/dbraw/zinc/21/86/73/950218673.db2.gz LTPCKYBUHOTDBQ-ZWNOBZJWSA-N 0 3 389.851 0.938 20 0 GCADHN C[C@H]1[C@@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575901154 950221292 /nfs/dbraw/zinc/22/12/92/950221292.db2.gz LTPCKYBUHOTDBQ-GWCFXTLKSA-N 0 3 389.851 0.938 20 0 GCADHN C[C@H]1[C@@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901154 950221301 /nfs/dbraw/zinc/22/13/01/950221301.db2.gz LTPCKYBUHOTDBQ-GWCFXTLKSA-N 0 3 389.851 0.938 20 0 GCADHN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@H+](C)C(C)C ZINC001574156034 950221510 /nfs/dbraw/zinc/22/15/10/950221510.db2.gz UVMJLRNZYVWWRH-CYBMUJFWSA-N 0 3 375.481 0.940 20 0 GCADHN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@@H+](C)C(C)C ZINC001574156034 950221535 /nfs/dbraw/zinc/22/15/35/950221535.db2.gz UVMJLRNZYVWWRH-CYBMUJFWSA-N 0 3 375.481 0.940 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983624 950226647 /nfs/dbraw/zinc/22/66/47/950226647.db2.gz QNXCMJQBHKTVBT-WFASDCNBSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983624 950226668 /nfs/dbraw/zinc/22/66/68/950226668.db2.gz QNXCMJQBHKTVBT-WFASDCNBSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576192402 950242317 /nfs/dbraw/zinc/24/23/17/950242317.db2.gz NRTXOFOOOJBYQQ-STQMWFEESA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576192402 950242341 /nfs/dbraw/zinc/24/23/41/950242341.db2.gz NRTXOFOOOJBYQQ-STQMWFEESA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1ccnc1 ZINC001574497905 950249802 /nfs/dbraw/zinc/24/98/02/950249802.db2.gz GABLOHOHZZNJEV-RYUDHWBXSA-N 0 3 390.473 0.343 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1ccnc1 ZINC001574497905 950249818 /nfs/dbraw/zinc/24/98/18/950249818.db2.gz GABLOHOHZZNJEV-RYUDHWBXSA-N 0 3 390.473 0.343 20 0 GCADHN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1ccnc1 ZINC001574157752 950254915 /nfs/dbraw/zinc/25/49/15/950254915.db2.gz HVJXTBUTJCYWPO-CQSZACIVSA-N 0 3 383.460 0.913 20 0 GCADHN C[C@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ncn(C)n1 ZINC001575902250 950255522 /nfs/dbraw/zinc/25/55/22/950255522.db2.gz UALIBGBKTVOZFU-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573846768 950255981 /nfs/dbraw/zinc/25/59/81/950255981.db2.gz VKDFKDFEDCAIST-UHFFFAOYSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574741837 950259047 /nfs/dbraw/zinc/25/90/47/950259047.db2.gz DWDRSFLYPCVDCZ-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576192606 950259238 /nfs/dbraw/zinc/25/92/38/950259238.db2.gz NZLCAJJOKIODJH-JSGCOSHPSA-N 0 3 381.444 0.873 20 0 GCADHN C[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576192606 950259258 /nfs/dbraw/zinc/25/92/58/950259258.db2.gz NZLCAJJOKIODJH-JSGCOSHPSA-N 0 3 381.444 0.873 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574741837 950259066 /nfs/dbraw/zinc/25/90/66/950259066.db2.gz DWDRSFLYPCVDCZ-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574741837 950259083 /nfs/dbraw/zinc/25/90/83/950259083.db2.gz DWDRSFLYPCVDCZ-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574741837 950259101 /nfs/dbraw/zinc/25/91/01/950259101.db2.gz DWDRSFLYPCVDCZ-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574742003 950259567 /nfs/dbraw/zinc/25/95/67/950259567.db2.gz FPROQFLCIDWLHJ-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574742003 950259586 /nfs/dbraw/zinc/25/95/86/950259586.db2.gz FPROQFLCIDWLHJ-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC001574498080 950262021 /nfs/dbraw/zinc/26/20/21/950262021.db2.gz JPSJTOSXLNBTEF-YOEHRIQHSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC001574498080 950262034 /nfs/dbraw/zinc/26/20/34/950262034.db2.gz JPSJTOSXLNBTEF-YOEHRIQHSA-N 0 3 383.456 0.886 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573849867 950265873 /nfs/dbraw/zinc/26/58/73/950265873.db2.gz DFQWJPRYNDEDDQ-VXGBXAGGSA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573849864 950266324 /nfs/dbraw/zinc/26/63/24/950266324.db2.gz DFQWJPRYNDEDDQ-NEPJUHHUSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)C1 ZINC001576192843 950271847 /nfs/dbraw/zinc/27/18/47/950271847.db2.gz PXUHERILAOCJJQ-SWLSCSKDSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)C1 ZINC001576192843 950271862 /nfs/dbraw/zinc/27/18/62/950271862.db2.gz PXUHERILAOCJJQ-SWLSCSKDSA-N 0 3 385.476 0.647 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573850898 950285293 /nfs/dbraw/zinc/28/52/93/950285293.db2.gz OAIADDQUYPCDBV-AAEUAGOBSA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573850898 950285309 /nfs/dbraw/zinc/28/53/09/950285309.db2.gz OAIADDQUYPCDBV-AAEUAGOBSA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+]CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573851454 950294381 /nfs/dbraw/zinc/29/43/81/950294381.db2.gz YJEKWPCDGSYBOZ-UHFFFAOYSA-N 0 3 377.453 0.002 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+]CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573851454 950294400 /nfs/dbraw/zinc/29/44/00/950294400.db2.gz YJEKWPCDGSYBOZ-UHFFFAOYSA-N 0 3 377.453 0.002 20 0 GCADHN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccc1 ZINC001574499073 950296023 /nfs/dbraw/zinc/29/60/23/950296023.db2.gz RXNYDWHZMGLWDQ-GOEBONIOSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cccc1 ZINC001574499073 950296043 /nfs/dbraw/zinc/29/60/43/950296043.db2.gz RXNYDWHZMGLWDQ-GOEBONIOSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574987808 950303853 /nfs/dbraw/zinc/30/38/53/950303853.db2.gz HORHROWSLFOXFD-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574987808 950303876 /nfs/dbraw/zinc/30/38/76/950303876.db2.gz HORHROWSLFOXFD-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574987808 950303899 /nfs/dbraw/zinc/30/38/99/950303899.db2.gz HORHROWSLFOXFD-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574987808 950303912 /nfs/dbraw/zinc/30/39/12/950303912.db2.gz HORHROWSLFOXFD-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576193645 950306169 /nfs/dbraw/zinc/30/61/69/950306169.db2.gz VDNMYDVDDMKTOT-LMWSTFAQSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576193645 950306189 /nfs/dbraw/zinc/30/61/89/950306189.db2.gz VDNMYDVDDMKTOT-LMWSTFAQSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C12CCC[NH+]1CCC2 ZINC001574742899 950306599 /nfs/dbraw/zinc/30/65/99/950306599.db2.gz QFIRAJQLCUUDDF-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C12CCC[NH+]1CCC2 ZINC001574742899 950306623 /nfs/dbraw/zinc/30/66/23/950306623.db2.gz QFIRAJQLCUUDDF-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574988009 950306444 /nfs/dbraw/zinc/30/64/44/950306444.db2.gz KKSLIJIRLBDYMJ-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574988009 950306466 /nfs/dbraw/zinc/30/64/66/950306466.db2.gz KKSLIJIRLBDYMJ-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574988009 950306485 /nfs/dbraw/zinc/30/64/85/950306485.db2.gz KKSLIJIRLBDYMJ-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574988009 950306505 /nfs/dbraw/zinc/30/65/05/950306505.db2.gz KKSLIJIRLBDYMJ-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cccn1 ZINC001575906509 950311590 /nfs/dbraw/zinc/31/15/90/950311590.db2.gz IKEOFPBHFDKWFX-MLGOLLRUSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cncn1 ZINC001575906363 950311949 /nfs/dbraw/zinc/31/19/49/950311949.db2.gz HYVOVHNYEHMUFA-ABAIWWIYSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CN1CCCC1=O ZINC001575906526 950314666 /nfs/dbraw/zinc/31/46/66/950314666.db2.gz ISXDVCDQIAXJBK-XJKSGUPXSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CN1CCCC1=O ZINC001575906526 950314690 /nfs/dbraw/zinc/31/46/90/950314690.db2.gz ISXDVCDQIAXJBK-XJKSGUPXSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001574743742 950336879 /nfs/dbraw/zinc/33/68/79/950336879.db2.gz VQKNSZDGRIXDJR-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575907600 950340680 /nfs/dbraw/zinc/34/06/80/950340680.db2.gz PJPMKSXCLMASIX-BXUZGUMPSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575907600 950340703 /nfs/dbraw/zinc/34/07/03/950340703.db2.gz PJPMKSXCLMASIX-BXUZGUMPSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCNC(N)=O ZINC001575907773 950341336 /nfs/dbraw/zinc/34/13/36/950341336.db2.gz QJQFBCBBZFZRAQ-IINYFYTJSA-N 0 3 390.423 0.143 20 0 GCADHN CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574744096 950343055 /nfs/dbraw/zinc/34/30/55/950343055.db2.gz WSOBIJJBVKNXEM-FZMZJTMJSA-N 0 3 376.465 0.358 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574744102 950344767 /nfs/dbraw/zinc/34/47/67/950344767.db2.gz WWKOGXXKZAIWOF-MCIONIFRSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574744102 950344781 /nfs/dbraw/zinc/34/47/81/950344781.db2.gz WWKOGXXKZAIWOF-MCIONIFRSA-N 0 3 385.472 0.705 20 0 GCADHN CC(C)[C@@H](C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574744098 950345272 /nfs/dbraw/zinc/34/52/72/950345272.db2.gz WSOBIJJBVKNXEM-RISCZKNCSA-N 0 3 376.465 0.358 20 0 GCADHN CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573854685 950348344 /nfs/dbraw/zinc/34/83/44/950348344.db2.gz BYWNYSXQPPKHOH-QGZVFWFLSA-N 0 3 392.439 0.253 20 0 GCADHN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573854685 950348375 /nfs/dbraw/zinc/34/83/75/950348375.db2.gz BYWNYSXQPPKHOH-QGZVFWFLSA-N 0 3 392.439 0.253 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574988824 950348979 /nfs/dbraw/zinc/34/89/79/950348979.db2.gz VQSQKXAKWUNZBL-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574988824 950348996 /nfs/dbraw/zinc/34/89/96/950348996.db2.gz VQSQKXAKWUNZBL-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN CC1CC[NH+](CC(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001576196256 950352649 /nfs/dbraw/zinc/35/26/49/950352649.db2.gz BSRHZUXMSYTAQC-CQSZACIVSA-N 0 3 385.476 0.426 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574988979 950352653 /nfs/dbraw/zinc/35/26/53/950352653.db2.gz WXSMKWNJOVVGGR-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574988979 950352675 /nfs/dbraw/zinc/35/26/75/950352675.db2.gz WXSMKWNJOVVGGR-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN CC1CC[NH+](CC(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001576196264 950356635 /nfs/dbraw/zinc/35/66/35/950356635.db2.gz BVAKXIBRLDYGNC-CQSZACIVSA-N 0 3 385.476 0.649 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574988981 950357031 /nfs/dbraw/zinc/35/70/31/950357031.db2.gz WXSMKWNJOVVGGR-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574988981 950357052 /nfs/dbraw/zinc/35/70/52/950357052.db2.gz WXSMKWNJOVVGGR-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@](C)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573855171 950356918 /nfs/dbraw/zinc/35/69/18/950356918.db2.gz KJKKOVHEAJUNGP-SFHVURJKSA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573855210 950361925 /nfs/dbraw/zinc/36/19/25/950361925.db2.gz LTNQHPHWPUGGBA-SFHVURJKSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cncn1C ZINC001575908433 950362677 /nfs/dbraw/zinc/36/26/77/950362677.db2.gz BZRRKPOYZLOGTQ-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cncn1C ZINC001575908433 950362686 /nfs/dbraw/zinc/36/26/86/950362686.db2.gz BZRRKPOYZLOGTQ-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001574744770 950363988 /nfs/dbraw/zinc/36/39/88/950363988.db2.gz AVDKAWNRHIDYKA-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001574744770 950364008 /nfs/dbraw/zinc/36/40/08/950364008.db2.gz AVDKAWNRHIDYKA-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574502200 950364652 /nfs/dbraw/zinc/36/46/52/950364652.db2.gz KIEHOXJQUDQBIG-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574502200 950364672 /nfs/dbraw/zinc/36/46/72/950364672.db2.gz KIEHOXJQUDQBIG-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574502200 950364693 /nfs/dbraw/zinc/36/46/93/950364693.db2.gz KIEHOXJQUDQBIG-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574502200 950364718 /nfs/dbraw/zinc/36/47/18/950364718.db2.gz KIEHOXJQUDQBIG-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574989485 950365894 /nfs/dbraw/zinc/36/58/94/950365894.db2.gz ZTALVPZIRPMUMD-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001574989485 950365915 /nfs/dbraw/zinc/36/59/15/950365915.db2.gz ZTALVPZIRPMUMD-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574989485 950365934 /nfs/dbraw/zinc/36/59/34/950365934.db2.gz ZTALVPZIRPMUMD-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001574989485 950365953 /nfs/dbraw/zinc/36/59/53/950365953.db2.gz ZTALVPZIRPMUMD-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)C1=COCCO1 ZINC001575908846 950377981 /nfs/dbraw/zinc/37/79/81/950377981.db2.gz WEEAHVCIMNOIJT-NHYWBVRUSA-N 0 3 388.403 0.973 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@](C)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573855505 950380765 /nfs/dbraw/zinc/38/07/65/950380765.db2.gz WJQFEYSIMOSLEV-GOSISDBHSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575908893 950383235 /nfs/dbraw/zinc/38/32/35/950383235.db2.gz WXHYUDBTRKGQIA-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)c1ncn(C)n1 ZINC001575909247 950391236 /nfs/dbraw/zinc/39/12/36/950391236.db2.gz XYAVHOOGJJRIKZ-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)c1ncn(C)n1 ZINC001575909247 950391252 /nfs/dbraw/zinc/39/12/52/950391252.db2.gz XYAVHOOGJJRIKZ-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576197910 950401391 /nfs/dbraw/zinc/40/13/91/950401391.db2.gz PLVZAOCJWMMQET-SCLBCKFNSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576197910 950401400 /nfs/dbraw/zinc/40/14/00/950401400.db2.gz PLVZAOCJWMMQET-SCLBCKFNSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)C1=COCCO1 ZINC001575909599 950403476 /nfs/dbraw/zinc/40/34/76/950403476.db2.gz ZJVJXVCFVKWEAH-ABAIWWIYSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)C1=COCCO1 ZINC001575909599 950403500 /nfs/dbraw/zinc/40/35/00/950403500.db2.gz ZJVJXVCFVKWEAH-ABAIWWIYSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575909616 950404145 /nfs/dbraw/zinc/40/41/45/950404145.db2.gz ZSXCBHFBDQANFU-LVPNJAMISA-N 0 3 386.431 0.977 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575909616 950404159 /nfs/dbraw/zinc/40/41/59/950404159.db2.gz ZSXCBHFBDQANFU-LVPNJAMISA-N 0 3 386.431 0.977 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)C1=COCCO1 ZINC001575909600 950405607 /nfs/dbraw/zinc/40/56/07/950405607.db2.gz ZJVJXVCFVKWEAH-IAQYHMDHSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)C1=COCCO1 ZINC001575909600 950405620 /nfs/dbraw/zinc/40/56/20/950405620.db2.gz ZJVJXVCFVKWEAH-IAQYHMDHSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199504 950422554 /nfs/dbraw/zinc/42/25/54/950422554.db2.gz ZVIZQGSGIDHUQB-FZKQIMNGSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199504 950422574 /nfs/dbraw/zinc/42/25/74/950422574.db2.gz ZVIZQGSGIDHUQB-FZKQIMNGSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576199304 950425145 /nfs/dbraw/zinc/42/51/45/950425145.db2.gz YHHIXYGIIWDJGS-KGLIPLIRSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576199304 950425158 /nfs/dbraw/zinc/42/51/58/950425158.db2.gz YHHIXYGIIWDJGS-KGLIPLIRSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCn1cncn1 ZINC001575910624 950426338 /nfs/dbraw/zinc/42/63/38/950426338.db2.gz MNPLWAAZCISGRR-BBRMVZONSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCn1cncn1 ZINC001575910624 950426353 /nfs/dbraw/zinc/42/63/53/950426353.db2.gz MNPLWAAZCISGRR-BBRMVZONSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574506132 950428181 /nfs/dbraw/zinc/42/81/81/950428181.db2.gz BPCWDLOXGQJICU-SGMGOOAPSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574506132 950428199 /nfs/dbraw/zinc/42/81/99/950428199.db2.gz BPCWDLOXGQJICU-SGMGOOAPSA-N 0 3 386.460 0.298 20 0 GCADHN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574992121 950437758 /nfs/dbraw/zinc/43/77/58/950437758.db2.gz XMUDKKUNAAJZSY-IUODEOHRSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574992121 950437774 /nfs/dbraw/zinc/43/77/74/950437774.db2.gz XMUDKKUNAAJZSY-IUODEOHRSA-N 0 3 388.476 0.692 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc2n(n1)CCO2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574750929 950448069 /nfs/dbraw/zinc/44/80/69/950448069.db2.gz JFHSIJVFWWCTFW-GFCCVEGCSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc2n(n1)CCO2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574750929 950448077 /nfs/dbraw/zinc/44/80/77/950448077.db2.gz JFHSIJVFWWCTFW-GFCCVEGCSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)C1 ZINC001576204486 950465126 /nfs/dbraw/zinc/46/51/26/950465126.db2.gz PCRGANAHIWHISY-GFCCVEGCSA-N 0 3 390.879 0.906 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)C1 ZINC001576204486 950465137 /nfs/dbraw/zinc/46/51/37/950465137.db2.gz PCRGANAHIWHISY-GFCCVEGCSA-N 0 3 390.879 0.906 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCC[NH+]1CCCC1 ZINC001574751936 950470374 /nfs/dbraw/zinc/47/03/74/950470374.db2.gz RTDGFTGMFKXRAB-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCC[NH+]1CCCC1 ZINC001574751936 950470381 /nfs/dbraw/zinc/47/03/81/950470381.db2.gz RTDGFTGMFKXRAB-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574752554 950490227 /nfs/dbraw/zinc/49/02/27/950490227.db2.gz DATAXXVPBXLGQE-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574752554 950490244 /nfs/dbraw/zinc/49/02/44/950490244.db2.gz DATAXXVPBXLGQE-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc[n+]([O-])cc1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574752653 950495993 /nfs/dbraw/zinc/49/59/93/950495993.db2.gz ZCZMPZGHDWVXEJ-GFCCVEGCSA-N 0 3 385.403 0.890 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc[n+]([O-])cc1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574752653 950496006 /nfs/dbraw/zinc/49/60/06/950496006.db2.gz ZCZMPZGHDWVXEJ-GFCCVEGCSA-N 0 3 385.403 0.890 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CN1CCOCC1 ZINC001575914738 950499000 /nfs/dbraw/zinc/49/90/00/950499000.db2.gz VURIENPSAOSUEJ-RHSMWYFYSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CN1CCOCC1 ZINC001575914738 950499013 /nfs/dbraw/zinc/49/90/13/950499013.db2.gz VURIENPSAOSUEJ-RHSMWYFYSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576205268 950507540 /nfs/dbraw/zinc/50/75/40/950507540.db2.gz IDZZZYSEHPJXQS-KBPBESRZSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576205268 950507556 /nfs/dbraw/zinc/50/75/56/950507556.db2.gz IDZZZYSEHPJXQS-KBPBESRZSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574752975 950508443 /nfs/dbraw/zinc/50/84/43/950508443.db2.gz HNCDQNOKKMEYSG-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001574995645 950511694 /nfs/dbraw/zinc/51/16/94/950511694.db2.gz FTJQRDNDBOICDJ-LLVKDONJSA-N 0 3 383.412 0.874 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001574995645 950511714 /nfs/dbraw/zinc/51/17/14/950511714.db2.gz FTJQRDNDBOICDJ-LLVKDONJSA-N 0 3 383.412 0.874 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575916420 950538438 /nfs/dbraw/zinc/53/84/38/950538438.db2.gz ZODVJXIXYCDUIA-FZMZJTMJSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575916420 950538461 /nfs/dbraw/zinc/53/84/61/950538461.db2.gz ZODVJXIXYCDUIA-FZMZJTMJSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NCCC2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576206024 950552876 /nfs/dbraw/zinc/55/28/76/950552876.db2.gz SRSUGAAVYVGGLB-CYBMUJFWSA-N 0 3 385.476 0.697 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NCCC2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576206024 950552891 /nfs/dbraw/zinc/55/28/91/950552891.db2.gz SRSUGAAVYVGGLB-CYBMUJFWSA-N 0 3 385.476 0.697 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001574753988 950554528 /nfs/dbraw/zinc/55/45/28/950554528.db2.gz JIJKVPDUFGATNX-BDAKNGLRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001574753988 950554542 /nfs/dbraw/zinc/55/45/42/950554542.db2.gz JIJKVPDUFGATNX-BDAKNGLRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1cc(CN(C)C)on1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574999666 950583438 /nfs/dbraw/zinc/58/34/38/950583438.db2.gz LHKOKJXOHMFYDT-GFCCVEGCSA-N 0 3 384.444 0.824 20 0 GCADHN C[C@H](CNC(=O)c1cc(CN(C)C)on1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574999666 950583449 /nfs/dbraw/zinc/58/34/49/950583449.db2.gz LHKOKJXOHMFYDT-GFCCVEGCSA-N 0 3 384.444 0.824 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575000029 950594492 /nfs/dbraw/zinc/59/44/92/950594492.db2.gz OIHYNQSIDCGYIL-VIFPVBQESA-N 0 3 386.391 0.341 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575000029 950594510 /nfs/dbraw/zinc/59/45/10/950594510.db2.gz OIHYNQSIDCGYIL-VIFPVBQESA-N 0 3 386.391 0.341 20 0 GCADHN CC(C)(C)OCC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573871806 950626409 /nfs/dbraw/zinc/62/64/09/950626409.db2.gz XALPNARFMRBWGQ-UHFFFAOYSA-N 0 3 388.476 0.315 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574517709 950647599 /nfs/dbraw/zinc/64/75/99/950647599.db2.gz LNPWMPPCCPOXEU-XDTLVQLUSA-N 0 3 390.423 0.190 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574517709 950647614 /nfs/dbraw/zinc/64/76/14/950647614.db2.gz LNPWMPPCCPOXEU-XDTLVQLUSA-N 0 3 390.423 0.190 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574760324 950663794 /nfs/dbraw/zinc/66/37/94/950663794.db2.gz VRVHHLSWKHUTML-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574760324 950663808 /nfs/dbraw/zinc/66/38/08/950663808.db2.gz VRVHHLSWKHUTML-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574519506 950680190 /nfs/dbraw/zinc/68/01/90/950680190.db2.gz DYULAYZPXNIWJZ-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574519506 950680203 /nfs/dbraw/zinc/68/02/03/950680203.db2.gz DYULAYZPXNIWJZ-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCCO2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575005374 950680866 /nfs/dbraw/zinc/68/08/66/950680866.db2.gz CKYDEICDTKFCJS-GFCCVEGCSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCCO2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575005374 950680875 /nfs/dbraw/zinc/68/08/75/950680875.db2.gz CKYDEICDTKFCJS-GFCCVEGCSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn[nH]c(=O)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574761009 950688606 /nfs/dbraw/zinc/68/86/06/950688606.db2.gz QBPSDCWEOKJKKG-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574760947 950688634 /nfs/dbraw/zinc/68/86/34/950688634.db2.gz PGSFQSCCWDBUIN-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574760947 950688648 /nfs/dbraw/zinc/68/86/48/950688648.db2.gz PGSFQSCCWDBUIN-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncn1C ZINC001575926775 950721741 /nfs/dbraw/zinc/72/17/41/950721741.db2.gz LVWSNIQFZGYPDG-IUODEOHRSA-N 0 3 381.444 0.451 20 0 GCADHN CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008938 950764647 /nfs/dbraw/zinc/76/46/47/950764647.db2.gz KVFGANXCQQKXSI-RYUDHWBXSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574521031 950764936 /nfs/dbraw/zinc/76/49/36/950764936.db2.gz CMZUSUDLSZWLBN-VXGBXAGGSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCC[NH+](C)C ZINC001574521059 950768074 /nfs/dbraw/zinc/76/80/74/950768074.db2.gz CSEZSAUYLDQVAI-VXGBXAGGSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCC[NH+](C)C ZINC001574521059 950768087 /nfs/dbraw/zinc/76/80/87/950768087.db2.gz CSEZSAUYLDQVAI-VXGBXAGGSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574521101 950769515 /nfs/dbraw/zinc/76/95/15/950769515.db2.gz DCUBOWWRJPUERY-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574521101 950769529 /nfs/dbraw/zinc/76/95/29/950769529.db2.gz DCUBOWWRJPUERY-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CNC(=O)C1CC1 ZINC001574521108 950770058 /nfs/dbraw/zinc/77/00/58/950770058.db2.gz DDHNJIVBVUHUMI-CHWSQXEVSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CNC(=O)C1CC1 ZINC001574521108 950770078 /nfs/dbraw/zinc/77/00/78/950770078.db2.gz DDHNJIVBVUHUMI-CHWSQXEVSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574521109 950772156 /nfs/dbraw/zinc/77/21/56/950772156.db2.gz DDHNJIVBVUHUMI-OLZOCXBDSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574521109 950772169 /nfs/dbraw/zinc/77/21/69/950772169.db2.gz DDHNJIVBVUHUMI-OLZOCXBDSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575009586 950789124 /nfs/dbraw/zinc/78/91/24/950789124.db2.gz VFCKWRSNOMICNW-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575009586 950789143 /nfs/dbraw/zinc/78/91/43/950789143.db2.gz VFCKWRSNOMICNW-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CCn1ccnn1 ZINC001574523165 950809922 /nfs/dbraw/zinc/80/99/22/950809922.db2.gz MMFFWVVYBGTLBX-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CCn1ccnn1 ZINC001574523165 950809941 /nfs/dbraw/zinc/80/99/41/950809941.db2.gz MMFFWVVYBGTLBX-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](CN(C)C(=O)c1nccnc1N)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574766181 950810369 /nfs/dbraw/zinc/81/03/69/950810369.db2.gz LLJKDVYEQANNBT-SNVBAGLBSA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](CN(C)C(=O)c1nccnc1N)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574766181 950810387 /nfs/dbraw/zinc/81/03/87/950810387.db2.gz LLJKDVYEQANNBT-SNVBAGLBSA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574523615 950816116 /nfs/dbraw/zinc/81/61/16/950816116.db2.gz OKYCTINWBWPNNO-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574523615 950816146 /nfs/dbraw/zinc/81/61/46/950816146.db2.gz OKYCTINWBWPNNO-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523654 950824353 /nfs/dbraw/zinc/82/43/53/950824353.db2.gz OVPNLZJLSVHSNO-RYUDHWBXSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523654 950824372 /nfs/dbraw/zinc/82/43/72/950824372.db2.gz OVPNLZJLSVHSNO-RYUDHWBXSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574523793 950829128 /nfs/dbraw/zinc/82/91/28/950829128.db2.gz QMPZBQUSCCDBMC-NWDGAFQWSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574523793 950829149 /nfs/dbraw/zinc/82/91/49/950829149.db2.gz QMPZBQUSCCDBMC-NWDGAFQWSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1ccnn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574523969 950840290 /nfs/dbraw/zinc/84/02/90/950840290.db2.gz SQXFABOAHZFAQO-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1ccnn1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574523969 950840317 /nfs/dbraw/zinc/84/03/17/950840317.db2.gz SQXFABOAHZFAQO-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1nc[nH]n1 ZINC001574524716 950871836 /nfs/dbraw/zinc/87/18/36/950871836.db2.gz YVDVXEQHGJKHOU-NXEZZACHSA-N 0 3 375.462 0.662 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC001575011978 950874861 /nfs/dbraw/zinc/87/48/61/950874861.db2.gz VBKBVRLVASHPHE-UKRRQHHQSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC001575011978 950874877 /nfs/dbraw/zinc/87/48/77/950874877.db2.gz VBKBVRLVASHPHE-UKRRQHHQSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1nccnc1N ZINC001574527434 950886653 /nfs/dbraw/zinc/88/66/53/950886653.db2.gz BPJKESUSOVURJP-RYUDHWBXSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1nccnc1N ZINC001574527434 950886673 /nfs/dbraw/zinc/88/66/73/950886673.db2.gz BPJKESUSOVURJP-RYUDHWBXSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)c1cnn(C)n1 ZINC001574527482 950891645 /nfs/dbraw/zinc/89/16/45/950891645.db2.gz CFIRIXYGWGVEFW-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)c1cnn(C)n1 ZINC001574527482 950891658 /nfs/dbraw/zinc/89/16/58/950891658.db2.gz CFIRIXYGWGVEFW-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)c1cn(C)nn1 ZINC001574527808 950911138 /nfs/dbraw/zinc/91/11/38/950911138.db2.gz HJOVUBRRMJOOIY-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)c1cnnn1C ZINC001574528000 950918366 /nfs/dbraw/zinc/91/83/66/950918366.db2.gz JRRFGCLXZHVENI-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)c1cnnn1C ZINC001574528000 950918381 /nfs/dbraw/zinc/91/83/81/950918381.db2.gz JRRFGCLXZHVENI-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576228081 950928197 /nfs/dbraw/zinc/92/81/97/950928197.db2.gz IUNUAYVFQFIPBZ-IAQYHMDHSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576228081 950928213 /nfs/dbraw/zinc/92/82/13/950928213.db2.gz IUNUAYVFQFIPBZ-IAQYHMDHSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576228083 950931209 /nfs/dbraw/zinc/93/12/09/950931209.db2.gz IUNUAYVFQFIPBZ-NHYWBVRUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576228083 950931226 /nfs/dbraw/zinc/93/12/26/950931226.db2.gz IUNUAYVFQFIPBZ-NHYWBVRUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)c1cnnn1C ZINC001574528574 950936487 /nfs/dbraw/zinc/93/64/87/950936487.db2.gz NJMJZGGGZAKDSY-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)c1cnnn1C ZINC001574528574 950936503 /nfs/dbraw/zinc/93/65/03/950936503.db2.gz NJMJZGGGZAKDSY-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575015861 950950331 /nfs/dbraw/zinc/95/03/31/950950331.db2.gz WZVBULLCFPNLAP-GFCCVEGCSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575015861 950950348 /nfs/dbraw/zinc/95/03/48/950950348.db2.gz WZVBULLCFPNLAP-GFCCVEGCSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)n1 ZINC001574530027 950969647 /nfs/dbraw/zinc/96/96/47/950969647.db2.gz SKXWTAKOLWTDDZ-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)n1 ZINC001574530027 950969663 /nfs/dbraw/zinc/96/96/63/950969663.db2.gz SKXWTAKOLWTDDZ-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575017490 951001613 /nfs/dbraw/zinc/00/16/13/951001613.db2.gz GTLDJGKURUFCDF-GFCCVEGCSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001575018324 951017883 /nfs/dbraw/zinc/01/78/83/951017883.db2.gz PKHFBISXPBXINZ-NEPJUHHUSA-N 0 3 383.412 0.743 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001575018330 951018596 /nfs/dbraw/zinc/01/85/96/951018596.db2.gz PKHFBISXPBXINZ-RYUDHWBXSA-N 0 3 383.412 0.743 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575019056 951030162 /nfs/dbraw/zinc/03/01/62/951030162.db2.gz QHGULUDCDPNGQW-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575019056 951030172 /nfs/dbraw/zinc/03/01/72/951030172.db2.gz QHGULUDCDPNGQW-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1cccnc1C(N)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575031885 951208458 /nfs/dbraw/zinc/20/84/58/951208458.db2.gz LGFJCYBEVKBOBL-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1cccnc1C(N)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575031885 951208471 /nfs/dbraw/zinc/20/84/71/951208471.db2.gz LGFJCYBEVKBOBL-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575035528 951275534 /nfs/dbraw/zinc/27/55/34/951275534.db2.gz JYHPTWFHJRNVGJ-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575035528 951275548 /nfs/dbraw/zinc/27/55/48/951275548.db2.gz JYHPTWFHJRNVGJ-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001575036234 951287686 /nfs/dbraw/zinc/28/76/86/951287686.db2.gz PXYCVESCRZHILZ-LBPRGKRZSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001575036234 951287702 /nfs/dbraw/zinc/28/77/02/951287702.db2.gz PXYCVESCRZHILZ-LBPRGKRZSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575036025 951288237 /nfs/dbraw/zinc/28/82/37/951288237.db2.gz OUMPDZYSJZBHLU-LLVKDONJSA-N 0 3 392.423 0.664 20 0 GCADHN C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575036502 951296334 /nfs/dbraw/zinc/29/63/34/951296334.db2.gz TXGTVZGPWKBCKN-LLVKDONJSA-N 0 3 392.423 0.664 20 0 GCADHN C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575036502 951296343 /nfs/dbraw/zinc/29/63/43/951296343.db2.gz TXGTVZGPWKBCKN-LLVKDONJSA-N 0 3 392.423 0.664 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575041778 951348051 /nfs/dbraw/zinc/34/80/51/951348051.db2.gz CBMAFAAWLHBTJT-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575045390 951424359 /nfs/dbraw/zinc/42/43/59/951424359.db2.gz BKONQQXGBXJDBO-GFCCVEGCSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cnn2cc[nH]c12)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575055056 951499687 /nfs/dbraw/zinc/49/96/87/951499687.db2.gz MTCQOSMWFUOODB-JTQLQIEISA-N 0 3 383.391 0.890 20 0 GCADHN C[C@@H](CNC(=O)c1cnn2cc[nH]c12)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575055056 951499691 /nfs/dbraw/zinc/49/96/91/951499691.db2.gz MTCQOSMWFUOODB-JTQLQIEISA-N 0 3 383.391 0.890 20 0 GCADHN C[C@@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575055514 951506840 /nfs/dbraw/zinc/50/68/40/951506840.db2.gz WAZYHJJAZQWBMN-LBPRGKRZSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575055514 951506847 /nfs/dbraw/zinc/50/68/47/951506847.db2.gz WAZYHJJAZQWBMN-LBPRGKRZSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@H](CNC(=O)c1noc2c1COCC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575064846 951580258 /nfs/dbraw/zinc/58/02/58/951580258.db2.gz DUAQEVKDYXDFAF-LLVKDONJSA-N 0 3 383.412 0.836 20 0 GCADHN C[C@H](CNC(=O)c1noc2c1COCC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575064846 951580265 /nfs/dbraw/zinc/58/02/65/951580265.db2.gz DUAQEVKDYXDFAF-LLVKDONJSA-N 0 3 383.412 0.836 20 0 GCADHN C[C@H](C[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575070602 951651988 /nfs/dbraw/zinc/65/19/88/951651988.db2.gz SJTJBKWZWXGKAD-BXUZGUMPSA-N 0 3 386.460 0.398 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NC1CCCCC1 ZINC001575070537 951652027 /nfs/dbraw/zinc/65/20/27/951652027.db2.gz RFEMPBJZKSMARI-GFCCVEGCSA-N 0 3 388.476 0.599 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001575071270 951657352 /nfs/dbraw/zinc/65/73/52/951657352.db2.gz ZFJDXYVNIYZRKE-CHWSQXEVSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001575071274 951657559 /nfs/dbraw/zinc/65/75/59/951657559.db2.gz ZFJDXYVNIYZRKE-QWHCGFSZSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575077411 951667704 /nfs/dbraw/zinc/66/77/04/951667704.db2.gz CKYSQBRGEWUUKG-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575077410 951667831 /nfs/dbraw/zinc/66/78/31/951667831.db2.gz CKYSQBRGEWUUKG-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575077460 951670109 /nfs/dbraw/zinc/67/01/09/951670109.db2.gz DKPFCSSOFLZDKW-BIMULSAOSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575077662 951672232 /nfs/dbraw/zinc/67/22/32/951672232.db2.gz HWNSRRJRGKLBOK-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575077662 951672242 /nfs/dbraw/zinc/67/22/42/951672242.db2.gz HWNSRRJRGKLBOK-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575077824 951674623 /nfs/dbraw/zinc/67/46/23/951674623.db2.gz IEMWDHJTGGYODW-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078070 951677172 /nfs/dbraw/zinc/67/71/72/951677172.db2.gz JUHKFYGTTKHINV-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078246 951679477 /nfs/dbraw/zinc/67/94/77/951679477.db2.gz KJQCCXLPEPDIPP-LLVKDONJSA-N 0 3 376.392 0.736 20 0 GCADHN C[C@@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078246 951679481 /nfs/dbraw/zinc/67/94/81/951679481.db2.gz KJQCCXLPEPDIPP-LLVKDONJSA-N 0 3 376.392 0.736 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078580 951683090 /nfs/dbraw/zinc/68/30/90/951683090.db2.gz KTRMTAAJWJNWEP-QWRGUYRKSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078580 951683095 /nfs/dbraw/zinc/68/30/95/951683095.db2.gz KTRMTAAJWJNWEP-QWRGUYRKSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575078985 951686233 /nfs/dbraw/zinc/68/62/33/951686233.db2.gz OKMRFTPGYSBSTO-BXUZGUMPSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079078 951687573 /nfs/dbraw/zinc/68/75/73/951687573.db2.gz PPKBGPYMRVAKLJ-IAQYHMDHSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079078 951687578 /nfs/dbraw/zinc/68/75/78/951687578.db2.gz PPKBGPYMRVAKLJ-IAQYHMDHSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCn1cncn1 ZINC001575079871 951699448 /nfs/dbraw/zinc/69/94/48/951699448.db2.gz RQZJUSOWGMILNP-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079884 951699505 /nfs/dbraw/zinc/69/95/05/951699505.db2.gz SFLMNVXLQVHGGO-SWLSCSKDSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079884 951699508 /nfs/dbraw/zinc/69/95/08/951699508.db2.gz SFLMNVXLQVHGGO-SWLSCSKDSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575079979 951700512 /nfs/dbraw/zinc/70/05/12/951700512.db2.gz IFAYIHSOUYQPSR-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575079979 951700517 /nfs/dbraw/zinc/70/05/17/951700517.db2.gz IFAYIHSOUYQPSR-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCn1cnnn1 ZINC001575080056 951702250 /nfs/dbraw/zinc/70/22/50/951702250.db2.gz KAERLLIUTCDHAF-LLVKDONJSA-N 0 3 388.411 0.019 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCn1cnnn1 ZINC001575080056 951702263 /nfs/dbraw/zinc/70/22/63/951702263.db2.gz KAERLLIUTCDHAF-LLVKDONJSA-N 0 3 388.411 0.019 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575080388 951707821 /nfs/dbraw/zinc/70/78/21/951707821.db2.gz KTPNVMQWVPNFDE-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575080388 951707824 /nfs/dbraw/zinc/70/78/24/951707824.db2.gz KTPNVMQWVPNFDE-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575080532 951711841 /nfs/dbraw/zinc/71/18/41/951711841.db2.gz XYAGUYUIUHXPMJ-NOZJJQNGSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575080816 951716408 /nfs/dbraw/zinc/71/64/08/951716408.db2.gz NSNQHCKVRRFBMX-RYUDHWBXSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575080816 951716410 /nfs/dbraw/zinc/71/64/10/951716410.db2.gz NSNQHCKVRRFBMX-RYUDHWBXSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NCc1ccco1 ZINC001575080919 951718300 /nfs/dbraw/zinc/71/83/00/951718300.db2.gz SKKGFOHMZICSGT-LLVKDONJSA-N 0 3 386.416 0.060 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081148 951720192 /nfs/dbraw/zinc/72/01/92/951720192.db2.gz OWKQTDLRWRFHTC-VOJFVSQTSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081148 951720196 /nfs/dbraw/zinc/72/01/96/951720196.db2.gz OWKQTDLRWRFHTC-VOJFVSQTSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082214 951731364 /nfs/dbraw/zinc/73/13/64/951731364.db2.gz VVPLJALHVVLJAB-DGCLKSJQSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082214 951731376 /nfs/dbraw/zinc/73/13/76/951731376.db2.gz VVPLJALHVVLJAB-DGCLKSJQSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082544 951733882 /nfs/dbraw/zinc/73/38/82/951733882.db2.gz WZUBVJRRZGZVCE-JTQLQIEISA-N 0 3 388.407 0.601 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)Nc1nccs1 ZINC001575082420 951734014 /nfs/dbraw/zinc/73/40/14/951734014.db2.gz YILLQIMNEIKJRN-SECBINFHSA-N 0 3 389.445 0.246 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001575082720 951737559 /nfs/dbraw/zinc/73/75/59/951737559.db2.gz YTEIAYSITRPBOF-VXGBXAGGSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)n1cncn1 ZINC001575082720 951737569 /nfs/dbraw/zinc/73/75/69/951737569.db2.gz YTEIAYSITRPBOF-VXGBXAGGSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575088527 951739236 /nfs/dbraw/zinc/73/92/36/951739236.db2.gz AXLYWBZZFMTNRV-SFHVURJKSA-N 0 3 386.460 0.300 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575088527 951739242 /nfs/dbraw/zinc/73/92/42/951739242.db2.gz AXLYWBZZFMTNRV-SFHVURJKSA-N 0 3 386.460 0.300 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)Cc1cncn1C ZINC001575088521 951740126 /nfs/dbraw/zinc/74/01/26/951740126.db2.gz ATSJYAJWUOYAQQ-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088885 951744148 /nfs/dbraw/zinc/74/41/48/951744148.db2.gz CKDPEHCQZRABHE-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088885 951744151 /nfs/dbraw/zinc/74/41/51/951744151.db2.gz CKDPEHCQZRABHE-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088882 951744687 /nfs/dbraw/zinc/74/46/87/951744687.db2.gz CKDPEHCQZRABHE-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088882 951744695 /nfs/dbraw/zinc/74/46/95/951744695.db2.gz CKDPEHCQZRABHE-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089023 951746237 /nfs/dbraw/zinc/74/62/37/951746237.db2.gz CKQRPAGHSWEBDI-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089023 951746244 /nfs/dbraw/zinc/74/62/44/951746244.db2.gz CKQRPAGHSWEBDI-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575090710 951763623 /nfs/dbraw/zinc/76/36/23/951763623.db2.gz LGPIXBNPLLNZJF-OCCSQVGLSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091097 951768726 /nfs/dbraw/zinc/76/87/26/951768726.db2.gz PBXIJVOPICYVMD-QMTHXVAHSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091097 951768729 /nfs/dbraw/zinc/76/87/29/951768729.db2.gz PBXIJVOPICYVMD-QMTHXVAHSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575091427 951775566 /nfs/dbraw/zinc/77/55/66/951775566.db2.gz QYKSVICNOKSHQR-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091415 951775582 /nfs/dbraw/zinc/77/55/82/951775582.db2.gz SOVOGOZYMIPTHS-IUODEOHRSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091415 951775589 /nfs/dbraw/zinc/77/55/89/951775589.db2.gz SOVOGOZYMIPTHS-IUODEOHRSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091817 951784184 /nfs/dbraw/zinc/78/41/84/951784184.db2.gz VCZJNASLKJLLJZ-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091817 951784192 /nfs/dbraw/zinc/78/41/92/951784192.db2.gz VCZJNASLKJLLJZ-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575092505 951792799 /nfs/dbraw/zinc/79/27/99/951792799.db2.gz CKJHEQKMIWBTHI-DOMZBBRYSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575092505 951792803 /nfs/dbraw/zinc/79/28/03/951792803.db2.gz CKJHEQKMIWBTHI-DOMZBBRYSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1cccc(=O)n1C ZINC001575093417 951798679 /nfs/dbraw/zinc/79/86/79/951798679.db2.gz ISNLAKVJKGFEBE-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1cccc(=O)n1C ZINC001575093417 951798689 /nfs/dbraw/zinc/79/86/89/951798689.db2.gz ISNLAKVJKGFEBE-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575093824 951802173 /nfs/dbraw/zinc/80/21/73/951802173.db2.gz KYSFRKBQTFKJFE-LBPRGKRZSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575093824 951802178 /nfs/dbraw/zinc/80/21/78/951802178.db2.gz KYSFRKBQTFKJFE-LBPRGKRZSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575093821 951802510 /nfs/dbraw/zinc/80/25/10/951802510.db2.gz KYGVBRXKMYYMFO-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575093821 951802514 /nfs/dbraw/zinc/80/25/14/951802514.db2.gz KYGVBRXKMYYMFO-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575094361 951804091 /nfs/dbraw/zinc/80/40/91/951804091.db2.gz NEXNHDNJSBHETK-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575094361 951804101 /nfs/dbraw/zinc/80/41/01/951804101.db2.gz NEXNHDNJSBHETK-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575096013 951817796 /nfs/dbraw/zinc/81/77/96/951817796.db2.gz YKKLYVLOJCETPA-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575096013 951817804 /nfs/dbraw/zinc/81/78/04/951817804.db2.gz YKKLYVLOJCETPA-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001575098111 951818663 /nfs/dbraw/zinc/81/86/63/951818663.db2.gz ASJZSTDUZIXEJK-YPMHNXCESA-N 0 3 379.490 0.195 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575102362 951866969 /nfs/dbraw/zinc/86/69/69/951866969.db2.gz LPBDDPHCEFEPNE-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575102362 951866973 /nfs/dbraw/zinc/86/69/73/951866973.db2.gz LPBDDPHCEFEPNE-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102385 951867441 /nfs/dbraw/zinc/86/74/41/951867441.db2.gz MKKQUCZTQDICSM-WCQYABFASA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102385 951867447 /nfs/dbraw/zinc/86/74/47/951867447.db2.gz MKKQUCZTQDICSM-WCQYABFASA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103367 951876299 /nfs/dbraw/zinc/87/62/99/951876299.db2.gz SSUIFIQKUOHVRQ-NWDGAFQWSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103367 951876308 /nfs/dbraw/zinc/87/63/08/951876308.db2.gz SSUIFIQKUOHVRQ-NWDGAFQWSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CCCC(N)=O ZINC001575104454 951885978 /nfs/dbraw/zinc/88/59/78/951885978.db2.gz CTVFJYHJHSOPMC-NSHDSACASA-N 0 3 377.424 0.598 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CCCC(N)=O ZINC001575104454 951885987 /nfs/dbraw/zinc/88/59/87/951885987.db2.gz CTVFJYHJHSOPMC-NSHDSACASA-N 0 3 377.424 0.598 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575104484 951886683 /nfs/dbraw/zinc/88/66/83/951886683.db2.gz DJCMEFAXZFKARW-NHYWBVRUSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575104484 951886690 /nfs/dbraw/zinc/88/66/90/951886690.db2.gz DJCMEFAXZFKARW-NHYWBVRUSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575104569 951887622 /nfs/dbraw/zinc/88/76/22/951887622.db2.gz DYHROLPVJHEUJI-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575104569 951887629 /nfs/dbraw/zinc/88/76/29/951887629.db2.gz DYHROLPVJHEUJI-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575104907 951890217 /nfs/dbraw/zinc/89/02/17/951890217.db2.gz GQYGSGPIUIDEMN-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575104907 951890223 /nfs/dbraw/zinc/89/02/23/951890223.db2.gz GQYGSGPIUIDEMN-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001575104898 951890826 /nfs/dbraw/zinc/89/08/26/951890826.db2.gz GNFHWKCVGZQDGP-VXGBXAGGSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001575104898 951890830 /nfs/dbraw/zinc/89/08/30/951890830.db2.gz GNFHWKCVGZQDGP-VXGBXAGGSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105826 951901005 /nfs/dbraw/zinc/90/10/05/951901005.db2.gz OHAQTLGFJNSTOV-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105826 951901012 /nfs/dbraw/zinc/90/10/12/951901012.db2.gz OHAQTLGFJNSTOV-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575106235 951902898 /nfs/dbraw/zinc/90/28/98/951902898.db2.gz RHRRYEBLKKBQON-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575106235 951902902 /nfs/dbraw/zinc/90/29/02/951902902.db2.gz RHRRYEBLKKBQON-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575106762 951907439 /nfs/dbraw/zinc/90/74/39/951907439.db2.gz UJCVAQGJZRBRLQ-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575106762 951907441 /nfs/dbraw/zinc/90/74/41/951907441.db2.gz UJCVAQGJZRBRLQ-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)Cc1ccn(C)n1 ZINC001575107137 951913124 /nfs/dbraw/zinc/91/31/24/951913124.db2.gz ZVYBAHNEQKHEPS-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)Cc1ccn(C)n1 ZINC001575107137 951913129 /nfs/dbraw/zinc/91/31/29/951913129.db2.gz ZVYBAHNEQKHEPS-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575107976 951922372 /nfs/dbraw/zinc/92/23/72/951922372.db2.gz KFYNITYUEQVYOD-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575107976 951922374 /nfs/dbraw/zinc/92/23/74/951922374.db2.gz KFYNITYUEQVYOD-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575107978 951922439 /nfs/dbraw/zinc/92/24/39/951922439.db2.gz KFYNITYUEQVYOD-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575107978 951922441 /nfs/dbraw/zinc/92/24/41/951922441.db2.gz KFYNITYUEQVYOD-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108408 951924409 /nfs/dbraw/zinc/92/44/09/951924409.db2.gz MCEOVZIPFXEZGY-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108408 951924419 /nfs/dbraw/zinc/92/44/19/951924419.db2.gz MCEOVZIPFXEZGY-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575109229 951927921 /nfs/dbraw/zinc/92/79/21/951927921.db2.gz PYDJZLZZJRPIJK-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575109229 951927927 /nfs/dbraw/zinc/92/79/27/951927927.db2.gz PYDJZLZZJRPIJK-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575110011 951935827 /nfs/dbraw/zinc/93/58/27/951935827.db2.gz XFNGIBSXIBCSBC-WMLDXEAASA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575110011 951935832 /nfs/dbraw/zinc/93/58/32/951935832.db2.gz XFNGIBSXIBCSBC-WMLDXEAASA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCS(C)(=O)=O ZINC001575110282 951939979 /nfs/dbraw/zinc/93/99/79/951939979.db2.gz ZDYAJMBNMHMCGA-LBPRGKRZSA-N 0 3 380.474 0.238 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCS(C)(=O)=O ZINC001575110282 951939986 /nfs/dbraw/zinc/93/99/86/951939986.db2.gz ZDYAJMBNMHMCGA-LBPRGKRZSA-N 0 3 380.474 0.238 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575113612 951943344 /nfs/dbraw/zinc/94/33/44/951943344.db2.gz CDMBNMAYEQETLJ-KDOFPFPSSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575113612 951943348 /nfs/dbraw/zinc/94/33/48/951943348.db2.gz CDMBNMAYEQETLJ-KDOFPFPSSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575113614 951943611 /nfs/dbraw/zinc/94/36/11/951943611.db2.gz CDMBNMAYEQETLJ-KSSFIOAISA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575113614 951943616 /nfs/dbraw/zinc/94/36/16/951943616.db2.gz CDMBNMAYEQETLJ-KSSFIOAISA-N 0 3 385.428 0.350 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113958 951951648 /nfs/dbraw/zinc/95/16/48/951951648.db2.gz JCDMVZXEYXVUEY-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113958 951951655 /nfs/dbraw/zinc/95/16/55/951951655.db2.gz JCDMVZXEYXVUEY-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114554 951957085 /nfs/dbraw/zinc/95/70/85/951957085.db2.gz QDMSOQOCGAFVCJ-CQSZACIVSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114554 951957090 /nfs/dbraw/zinc/95/70/90/951957090.db2.gz QDMSOQOCGAFVCJ-CQSZACIVSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575128200 952062928 /nfs/dbraw/zinc/06/29/28/952062928.db2.gz GQZVFTCVKACXCI-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575128200 952062938 /nfs/dbraw/zinc/06/29/38/952062938.db2.gz GQZVFTCVKACXCI-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575185948 952436759 /nfs/dbraw/zinc/43/67/59/952436759.db2.gz WYOUZOPSFYUFTC-CQDKDKBSSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575185948 952436763 /nfs/dbraw/zinc/43/67/63/952436763.db2.gz WYOUZOPSFYUFTC-CQDKDKBSSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](Cc1ccco1)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575197219 952480290 /nfs/dbraw/zinc/48/02/90/952480290.db2.gz QJLZHGKPPPZDCA-DZGCQCFKSA-N 0 3 384.440 0.905 20 0 GCADHN C[C@@H](Cc1ccco1)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575197219 952480294 /nfs/dbraw/zinc/48/02/94/952480294.db2.gz QJLZHGKPPPZDCA-DZGCQCFKSA-N 0 3 384.440 0.905 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571123128 952529015 /nfs/dbraw/zinc/52/90/15/952529015.db2.gz PUJFWWPYHHEGSX-ZYHUDNBSSA-N 0 3 376.852 0.880 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571123128 952529017 /nfs/dbraw/zinc/52/90/17/952529017.db2.gz PUJFWWPYHHEGSX-ZYHUDNBSSA-N 0 3 376.852 0.880 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571123128 952529018 /nfs/dbraw/zinc/52/90/18/952529018.db2.gz PUJFWWPYHHEGSX-ZYHUDNBSSA-N 0 3 376.852 0.880 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571123128 952529021 /nfs/dbraw/zinc/52/90/21/952529021.db2.gz PUJFWWPYHHEGSX-ZYHUDNBSSA-N 0 3 376.852 0.880 20 0 GCADHN CC(F)(F)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575213012 952556038 /nfs/dbraw/zinc/55/60/38/952556038.db2.gz QEGAUYJFJFSEIQ-QGZVFWFLSA-N 0 3 380.399 0.965 20 0 GCADHN COCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571135894 952609825 /nfs/dbraw/zinc/60/98/25/952609825.db2.gz HHJHKEFOTYMQJF-IAQYHMDHSA-N 0 3 378.408 0.358 20 0 GCADHN Cn1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nnn[n-]5)c4)C[C@H]32)n1 ZINC001571140500 952626974 /nfs/dbraw/zinc/62/69/74/952626974.db2.gz BKZFWMWFBQWRRM-PHZGNYQRSA-N 0 3 378.440 0.708 20 0 GCADHN Cn1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nnn[n-]5)c4)C[C@H]32)n1 ZINC001571140500 952626977 /nfs/dbraw/zinc/62/69/77/952626977.db2.gz BKZFWMWFBQWRRM-PHZGNYQRSA-N 0 3 378.440 0.708 20 0 GCADHN Cn1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[n-]n5)c4)C[C@H]32)n1 ZINC001571140500 952626981 /nfs/dbraw/zinc/62/69/81/952626981.db2.gz BKZFWMWFBQWRRM-PHZGNYQRSA-N 0 3 378.440 0.708 20 0 GCADHN Cn1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[n-]n5)c4)C[C@H]32)n1 ZINC001571140500 952626985 /nfs/dbraw/zinc/62/69/85/952626985.db2.gz BKZFWMWFBQWRRM-PHZGNYQRSA-N 0 3 378.440 0.708 20 0 GCADHN O=C(Cn1ccccc1=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571141274 952633027 /nfs/dbraw/zinc/63/30/27/952633027.db2.gz JNAKXULDWAEQRK-GASCZTMLSA-N 0 3 379.424 0.465 20 0 GCADHN O=C(Cn1ccccc1=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571141274 952633031 /nfs/dbraw/zinc/63/30/31/952633031.db2.gz JNAKXULDWAEQRK-GASCZTMLSA-N 0 3 379.424 0.465 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1nccnc1N ZINC001571147720 952663227 /nfs/dbraw/zinc/66/32/27/952663227.db2.gz PBDIXUPIDAALOB-SMDDNHRTSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1nccnc1N ZINC001571147720 952663231 /nfs/dbraw/zinc/66/32/31/952663231.db2.gz PBDIXUPIDAALOB-SMDDNHRTSA-N 0 3 379.428 0.632 20 0 GCADHN CN(C(=O)c1c[nH]c(=O)cn1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571154997 952691248 /nfs/dbraw/zinc/69/12/48/952691248.db2.gz DKJMNUGFBAKZML-UHFFFAOYSA-N 0 3 380.412 0.343 20 0 GCADHN CN(C(=O)c1c[nH]c(=O)cn1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571154997 952691251 /nfs/dbraw/zinc/69/12/51/952691251.db2.gz DKJMNUGFBAKZML-UHFFFAOYSA-N 0 3 380.412 0.343 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571155732 952700107 /nfs/dbraw/zinc/70/01/07/952700107.db2.gz YOCOCSZMGISNNB-AWEZNQCLSA-N 0 3 380.412 0.709 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571155732 952700110 /nfs/dbraw/zinc/70/01/10/952700110.db2.gz YOCOCSZMGISNNB-AWEZNQCLSA-N 0 3 380.412 0.709 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571155732 952700113 /nfs/dbraw/zinc/70/01/13/952700113.db2.gz YOCOCSZMGISNNB-AWEZNQCLSA-N 0 3 380.412 0.709 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571155732 952700116 /nfs/dbraw/zinc/70/01/16/952700116.db2.gz YOCOCSZMGISNNB-AWEZNQCLSA-N 0 3 380.412 0.709 20 0 GCADHN O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571160332 952725244 /nfs/dbraw/zinc/72/52/44/952725244.db2.gz HHFYKPCOJLTJOB-CYBMUJFWSA-N 0 3 380.412 0.757 20 0 GCADHN O=C(c1ccc(=O)[nH]n1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571160332 952725246 /nfs/dbraw/zinc/72/52/46/952725246.db2.gz HHFYKPCOJLTJOB-CYBMUJFWSA-N 0 3 380.412 0.757 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571160843 952728391 /nfs/dbraw/zinc/72/83/91/952728391.db2.gz MYOQMPABHIUUDJ-UHFFFAOYSA-N 0 3 380.412 0.344 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571160843 952728395 /nfs/dbraw/zinc/72/83/95/952728395.db2.gz MYOQMPABHIUUDJ-UHFFFAOYSA-N 0 3 380.412 0.344 20 0 GCADHN O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)c1cn[nH]c(=O)c1 ZINC001571160876 952729233 /nfs/dbraw/zinc/72/92/33/952729233.db2.gz NYQQCMYMQHLZPV-YEORSEQZSA-N 0 3 380.412 0.661 20 0 GCADHN O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)c1cn[nH]c(=O)c1 ZINC001571160876 952729236 /nfs/dbraw/zinc/72/92/36/952729236.db2.gz NYQQCMYMQHLZPV-YEORSEQZSA-N 0 3 380.412 0.661 20 0 GCADHN O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001571161635 952734183 /nfs/dbraw/zinc/73/41/83/952734183.db2.gz ZIEQHSGCGFZNLV-LBPRGKRZSA-N 0 3 380.412 0.614 20 0 GCADHN O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001571161635 952734187 /nfs/dbraw/zinc/73/41/87/952734187.db2.gz ZIEQHSGCGFZNLV-LBPRGKRZSA-N 0 3 380.412 0.614 20 0 GCADHN O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)c1ccc(=O)[nH]n1 ZINC001571161635 952734191 /nfs/dbraw/zinc/73/41/91/952734191.db2.gz ZIEQHSGCGFZNLV-LBPRGKRZSA-N 0 3 380.412 0.614 20 0 GCADHN O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)c1ccc(=O)[nH]n1 ZINC001571161635 952734194 /nfs/dbraw/zinc/73/41/94/952734194.db2.gz ZIEQHSGCGFZNLV-LBPRGKRZSA-N 0 3 380.412 0.614 20 0 GCADHN Cc1cc(N2C[C@@H]3CN(C(=O)c4cn[nH]n4)C[C@]3(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571162013 952737272 /nfs/dbraw/zinc/73/72/72/952737272.db2.gz HQUUUFZRVLZPPC-DIFFPNOSSA-N 0 3 380.416 0.287 20 0 GCADHN Cc1cc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cn[nH]n2)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571162313 952741843 /nfs/dbraw/zinc/74/18/43/952741843.db2.gz QDBNPSCPYVJBLQ-SRVKXCTJSA-N 0 3 380.416 0.215 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571165852 952755598 /nfs/dbraw/zinc/75/55/98/952755598.db2.gz HTVQXXJWICPYQY-YGTFVGLLSA-N 0 3 380.452 0.981 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571165852 952755600 /nfs/dbraw/zinc/75/56/00/952755600.db2.gz HTVQXXJWICPYQY-YGTFVGLLSA-N 0 3 380.452 0.981 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571165857 952755999 /nfs/dbraw/zinc/75/59/99/952755999.db2.gz HWISVFHZDHYWQN-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571165857 952756003 /nfs/dbraw/zinc/75/60/03/952756003.db2.gz HWISVFHZDHYWQN-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571167041 952768647 /nfs/dbraw/zinc/76/86/47/952768647.db2.gz UDQMYNKNKPGEHL-ZXXIGWHRSA-N 0 3 380.452 0.981 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)n1 ZINC001571170163 952783972 /nfs/dbraw/zinc/78/39/72/952783972.db2.gz ULRHWAVTSWPSSW-FICVDOATSA-N 0 3 380.456 0.217 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)n1 ZINC001571170163 952783974 /nfs/dbraw/zinc/78/39/74/952783974.db2.gz ULRHWAVTSWPSSW-FICVDOATSA-N 0 3 380.456 0.217 20 0 GCADHN Cc1cc(N[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571175753 952825673 /nfs/dbraw/zinc/82/56/73/952825673.db2.gz YLYRUCZLKQGQDE-ZWNOBZJWSA-N 0 3 381.400 0.203 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001571180922 952861052 /nfs/dbraw/zinc/86/10/52/952861052.db2.gz RKRNAOHXFCZMFJ-BBRMVZONSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001571180922 952861056 /nfs/dbraw/zinc/86/10/56/952861056.db2.gz RKRNAOHXFCZMFJ-BBRMVZONSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001571180925 952861559 /nfs/dbraw/zinc/86/15/59/952861559.db2.gz RKRNAOHXFCZMFJ-CZUORRHYSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001571180925 952861562 /nfs/dbraw/zinc/86/15/62/952861562.db2.gz RKRNAOHXFCZMFJ-CZUORRHYSA-N 0 3 381.444 0.800 20 0 GCADHN CC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN(C(=O)Cn2cncn2)CC1 ZINC001571183485 952878362 /nfs/dbraw/zinc/87/83/62/952878362.db2.gz BLVABDWLOILTJL-UHFFFAOYSA-N 0 3 381.444 0.629 20 0 GCADHN CC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN(C(=O)Cn2cncn2)CC1 ZINC001571183485 952878370 /nfs/dbraw/zinc/87/83/70/952878370.db2.gz BLVABDWLOILTJL-UHFFFAOYSA-N 0 3 381.444 0.629 20 0 GCADHN C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571183985 952885593 /nfs/dbraw/zinc/88/55/93/952885593.db2.gz OCELMNGUAWHJHF-WFASDCNBSA-N 0 3 381.444 0.493 20 0 GCADHN C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571183985 952885596 /nfs/dbraw/zinc/88/55/96/952885596.db2.gz OCELMNGUAWHJHF-WFASDCNBSA-N 0 3 381.444 0.493 20 0 GCADHN Cc1c(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C)nnn1C ZINC001571185557 952901902 /nfs/dbraw/zinc/90/19/02/952901902.db2.gz NCYRVNBQNOOCBN-FZMZJTMJSA-N 0 3 381.444 0.696 20 0 GCADHN Cc1c(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C)nnn1C ZINC001571185557 952901906 /nfs/dbraw/zinc/90/19/06/952901906.db2.gz NCYRVNBQNOOCBN-FZMZJTMJSA-N 0 3 381.444 0.696 20 0 GCADHN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001571185466 952901988 /nfs/dbraw/zinc/90/19/88/952901988.db2.gz MEHRUGRJCFGDKD-UHFFFAOYSA-N 0 3 381.444 0.969 20 0 GCADHN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001571185466 952901990 /nfs/dbraw/zinc/90/19/90/952901990.db2.gz MEHRUGRJCFGDKD-UHFFFAOYSA-N 0 3 381.444 0.969 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571186263 952905588 /nfs/dbraw/zinc/90/55/88/952905588.db2.gz URHYAYNOKYZKPR-UKRRQHHQSA-N 0 3 381.444 0.343 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571186263 952905590 /nfs/dbraw/zinc/90/55/90/952905590.db2.gz URHYAYNOKYZKPR-UKRRQHHQSA-N 0 3 381.444 0.343 20 0 GCADHN Cc1nccn1CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571187762 952910203 /nfs/dbraw/zinc/91/02/03/952910203.db2.gz BSKAOFVFBZGWST-AWEZNQCLSA-N 0 3 381.444 0.458 20 0 GCADHN Cc1cc(N[C@@H](C)[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188132 952912567 /nfs/dbraw/zinc/91/25/67/952912567.db2.gz GEVDIWWRNTUJRN-STQMWFEESA-N 0 3 381.444 0.607 20 0 GCADHN O=C(CCn1cncn1)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571188679 952918747 /nfs/dbraw/zinc/91/87/47/952918747.db2.gz GDCBCANUUJOTRS-OAHLLOKOSA-N 0 3 381.444 0.487 20 0 GCADHN O=C(CCn1cncn1)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571188679 952918750 /nfs/dbraw/zinc/91/87/50/952918750.db2.gz GDCBCANUUJOTRS-OAHLLOKOSA-N 0 3 381.444 0.487 20 0 GCADHN Cn1ncc(C(=O)N2CCC([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)c1N ZINC001571188743 952919633 /nfs/dbraw/zinc/91/96/33/952919633.db2.gz HJTUUFYSLYFZED-UHFFFAOYSA-N 0 3 381.444 0.577 20 0 GCADHN Cn1ncc(C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)c1N ZINC001571188743 952919638 /nfs/dbraw/zinc/91/96/38/952919638.db2.gz HJTUUFYSLYFZED-UHFFFAOYSA-N 0 3 381.444 0.577 20 0 GCADHN O=C(Cn1cncn1)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571189257 952926715 /nfs/dbraw/zinc/92/67/15/952926715.db2.gz OWGBLMRTMMFHEV-INIZCTEOSA-N 0 3 381.444 0.629 20 0 GCADHN O=C(Cn1cncn1)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571189257 952926717 /nfs/dbraw/zinc/92/67/17/952926717.db2.gz OWGBLMRTMMFHEV-INIZCTEOSA-N 0 3 381.444 0.629 20 0 GCADHN Cn1ncc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001571189806 952934754 /nfs/dbraw/zinc/93/47/54/952934754.db2.gz VNRTZVCZTKRBNV-ZFWWWQNUSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1ncc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001571189806 952934759 /nfs/dbraw/zinc/93/47/59/952934759.db2.gz VNRTZVCZTKRBNV-ZFWWWQNUSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1ncc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001571189805 952935339 /nfs/dbraw/zinc/93/53/39/952935339.db2.gz VNRTZVCZTKRBNV-UKRRQHHQSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1ncc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001571189805 952935346 /nfs/dbraw/zinc/93/53/46/952935346.db2.gz VNRTZVCZTKRBNV-UKRRQHHQSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)nn1 ZINC001571189928 952937051 /nfs/dbraw/zinc/93/70/51/952937051.db2.gz ZODROOLPMVWDLZ-CYBMUJFWSA-N 0 3 381.444 0.637 20 0 GCADHN Cn1cc(C(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC001571189928 952937066 /nfs/dbraw/zinc/93/70/66/952937066.db2.gz ZODROOLPMVWDLZ-CYBMUJFWSA-N 0 3 381.444 0.637 20 0 GCADHN Cn1cc(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)nn1 ZINC001571189929 952937880 /nfs/dbraw/zinc/93/78/80/952937880.db2.gz ZODROOLPMVWDLZ-ZDUSSCGKSA-N 0 3 381.444 0.637 20 0 GCADHN Cn1cc(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC001571189929 952937887 /nfs/dbraw/zinc/93/78/87/952937887.db2.gz ZODROOLPMVWDLZ-ZDUSSCGKSA-N 0 3 381.444 0.637 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3[nH]cnc3C)C2)cc1-c1nnn[n-]1 ZINC001571199515 953000656 /nfs/dbraw/zinc/00/06/56/953000656.db2.gz TXBSPSVCSRDPNI-JOCQHMNTSA-N 0 3 382.428 0.957 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3[nH]cnc3C)C2)cc1-c1nn[n-]n1 ZINC001571199515 953000661 /nfs/dbraw/zinc/00/06/61/953000661.db2.gz TXBSPSVCSRDPNI-JOCQHMNTSA-N 0 3 382.428 0.957 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571199604 953002008 /nfs/dbraw/zinc/00/20/08/953002008.db2.gz WHSVXNRKBJGAQV-ZDUSSCGKSA-N 0 3 382.428 0.850 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571199604 953002017 /nfs/dbraw/zinc/00/20/17/953002017.db2.gz WHSVXNRKBJGAQV-ZDUSSCGKSA-N 0 3 382.428 0.850 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571205027 953034410 /nfs/dbraw/zinc/03/44/10/953034410.db2.gz FPOKPWOHIDEHST-HNNXBMFYSA-N 0 3 382.428 0.881 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571205027 953034415 /nfs/dbraw/zinc/03/44/15/953034415.db2.gz FPOKPWOHIDEHST-HNNXBMFYSA-N 0 3 382.428 0.881 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571206802 953056482 /nfs/dbraw/zinc/05/64/82/953056482.db2.gz XMXMQHXNQUFESJ-DOMZBBRYSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCn2cncn2)C1 ZINC001571210732 953073533 /nfs/dbraw/zinc/07/35/33/953073533.db2.gz WCCHHXZKFBETTA-IUODEOHRSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCn2cncn2)C1 ZINC001571210732 953073537 /nfs/dbraw/zinc/07/35/37/953073537.db2.gz WCCHHXZKFBETTA-IUODEOHRSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCn2cncn2)C1 ZINC001571210732 953073543 /nfs/dbraw/zinc/07/35/43/953073543.db2.gz WCCHHXZKFBETTA-IUODEOHRSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCn2cncn2)C1 ZINC001571210732 953073548 /nfs/dbraw/zinc/07/35/48/953073548.db2.gz WCCHHXZKFBETTA-IUODEOHRSA-N 0 3 382.432 0.023 20 0 GCADHN Cc1nc(N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)ccc1-c1nnn[n-]1 ZINC001571211569 953078361 /nfs/dbraw/zinc/07/83/61/953078361.db2.gz BVPSMUCOHXDKAV-AWEZNQCLSA-N 0 3 382.472 0.608 20 0 GCADHN Cc1nc(N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)ccc1-c1nn[n-]n1 ZINC001571211569 953078365 /nfs/dbraw/zinc/07/83/65/953078365.db2.gz BVPSMUCOHXDKAV-AWEZNQCLSA-N 0 3 382.472 0.608 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)C1 ZINC001571211789 953081661 /nfs/dbraw/zinc/08/16/61/953081661.db2.gz GRYZDBQBLORYLU-GRDNDAEWSA-N 0 3 382.472 0.641 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)C1 ZINC001571211789 953081664 /nfs/dbraw/zinc/08/16/64/953081664.db2.gz GRYZDBQBLORYLU-GRDNDAEWSA-N 0 3 382.472 0.641 20 0 GCADHN O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571216908 953104222 /nfs/dbraw/zinc/10/42/22/953104222.db2.gz BYVOYLLIHZDTQG-ZBFHGGJFSA-N 0 3 382.472 0.689 20 0 GCADHN O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571216908 953104225 /nfs/dbraw/zinc/10/42/25/953104225.db2.gz BYVOYLLIHZDTQG-ZBFHGGJFSA-N 0 3 382.472 0.689 20 0 GCADHN O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571216907 953104715 /nfs/dbraw/zinc/10/47/15/953104715.db2.gz BYVOYLLIHZDTQG-HOCLYGCPSA-N 0 3 382.472 0.689 20 0 GCADHN O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001571216907 953104718 /nfs/dbraw/zinc/10/47/18/953104718.db2.gz BYVOYLLIHZDTQG-HOCLYGCPSA-N 0 3 382.472 0.689 20 0 GCADHN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CN(C(=O)c2ccon2)CCO1 ZINC001571218873 953119714 /nfs/dbraw/zinc/11/97/14/953119714.db2.gz FXXJSAYTOQPSJG-WBMJQRKESA-N 0 3 383.412 0.874 20 0 GCADHN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CN(C(=O)c2ccon2)CCO1 ZINC001571218873 953119718 /nfs/dbraw/zinc/11/97/18/953119718.db2.gz FXXJSAYTOQPSJG-WBMJQRKESA-N 0 3 383.412 0.874 20 0 GCADHN Cc1cc(NCC2CC(NC(=O)c3cn(C)c(=O)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571226606 953156091 /nfs/dbraw/zinc/15/60/91/953156091.db2.gz SPQGFTFRGMTODA-UHFFFAOYSA-N 0 3 383.416 0.052 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571230502 953177479 /nfs/dbraw/zinc/17/74/79/953177479.db2.gz FNDJAZQMWZKZEC-BFYDXBDKSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571230502 953177481 /nfs/dbraw/zinc/17/74/81/953177481.db2.gz FNDJAZQMWZKZEC-BFYDXBDKSA-N 0 3 383.456 0.614 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571230720 953179487 /nfs/dbraw/zinc/17/94/87/953179487.db2.gz IQKBOGCIQMZQJA-HOCLYGCPSA-N 0 3 383.456 0.426 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571230720 953179491 /nfs/dbraw/zinc/17/94/91/953179491.db2.gz IQKBOGCIQMZQJA-HOCLYGCPSA-N 0 3 383.456 0.426 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001571230904 953181066 /nfs/dbraw/zinc/18/10/66/953181066.db2.gz NCHUOFPLWDXEJG-ZIEJDFEHSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001571230904 953181069 /nfs/dbraw/zinc/18/10/69/953181069.db2.gz NCHUOFPLWDXEJG-ZIEJDFEHSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001571230903 953181476 /nfs/dbraw/zinc/18/14/76/953181476.db2.gz NCHUOFPLWDXEJG-YYWXWVFPSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001571230903 953181479 /nfs/dbraw/zinc/18/14/79/953181479.db2.gz NCHUOFPLWDXEJG-YYWXWVFPSA-N 0 3 383.456 0.518 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571231203 953183902 /nfs/dbraw/zinc/18/39/02/953183902.db2.gz VEICRVYQLSXKET-KRWDZBQOSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571231203 953183905 /nfs/dbraw/zinc/18/39/05/953183905.db2.gz VEICRVYQLSXKET-KRWDZBQOSA-N 0 3 383.456 0.426 20 0 GCADHN CN1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1=O ZINC001571231561 953185583 /nfs/dbraw/zinc/18/55/83/953185583.db2.gz ZUSDYFGNPRTJKE-QEJZJMRPSA-N 0 3 383.456 0.329 20 0 GCADHN CN1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1=O ZINC001571231561 953185585 /nfs/dbraw/zinc/18/55/85/953185585.db2.gz ZUSDYFGNPRTJKE-QEJZJMRPSA-N 0 3 383.456 0.329 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571232309 953187047 /nfs/dbraw/zinc/18/70/47/953187047.db2.gz DLFGVVVPGDJUPK-LSDHHAIUSA-N 0 3 383.456 0.616 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571232309 953187048 /nfs/dbraw/zinc/18/70/48/953187048.db2.gz DLFGVVVPGDJUPK-LSDHHAIUSA-N 0 3 383.456 0.616 20 0 GCADHN C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571232679 953188409 /nfs/dbraw/zinc/18/84/09/953188409.db2.gz IZWMCWHJZKNQBA-TZMCWYRMSA-N 0 3 383.460 0.544 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@@H+]1CCc1cnn(C)c1 ZINC001571233028 953189767 /nfs/dbraw/zinc/18/97/67/953189767.db2.gz NKPBJYHJCZDPLZ-IUODEOHRSA-N 0 3 383.460 0.754 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@H+]1CCc1cnn(C)c1 ZINC001571233028 953189770 /nfs/dbraw/zinc/18/97/70/953189770.db2.gz NKPBJYHJCZDPLZ-IUODEOHRSA-N 0 3 383.460 0.754 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571233122 953190651 /nfs/dbraw/zinc/19/06/51/953190651.db2.gz PBNLRDQOWQWGLQ-OGVSOVDVSA-N 0 3 383.456 0.520 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571233122 953190655 /nfs/dbraw/zinc/19/06/55/953190655.db2.gz PBNLRDQOWQWGLQ-OGVSOVDVSA-N 0 3 383.456 0.520 20 0 GCADHN O=C([C@H]1CCCC(=O)N1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571233256 953190943 /nfs/dbraw/zinc/19/09/43/953190943.db2.gz QLJUDFSHYBVYQC-HZPDHXFCSA-N 0 3 383.456 0.616 20 0 GCADHN O=C([C@H]1CCCC(=O)N1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571233256 953190944 /nfs/dbraw/zinc/19/09/44/953190944.db2.gz QLJUDFSHYBVYQC-HZPDHXFCSA-N 0 3 383.456 0.616 20 0 GCADHN CC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1[NH2+]CCn1cccn1 ZINC001571233431 953192176 /nfs/dbraw/zinc/19/21/76/953192176.db2.gz VBFFXERQQCYFSY-ZIAGYGMSSA-N 0 3 383.460 0.922 20 0 GCADHN CC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1[NH2+]CCn1cccn1 ZINC001571233431 953192178 /nfs/dbraw/zinc/19/21/78/953192178.db2.gz VBFFXERQQCYFSY-ZIAGYGMSSA-N 0 3 383.460 0.922 20 0 GCADHN O=C([C@@H]1CCNC(=O)CC1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571233418 953192408 /nfs/dbraw/zinc/19/24/08/953192408.db2.gz UWJRGVHXLSSJEF-GOEBONIOSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@@H]1CCNC(=O)CC1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571233418 953192410 /nfs/dbraw/zinc/19/24/10/953192410.db2.gz UWJRGVHXLSSJEF-GOEBONIOSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@@H]1CCC(=O)NC1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571233499 953193315 /nfs/dbraw/zinc/19/33/15/953193315.db2.gz WSBJVEARDMEWCF-UKRRQHHQSA-N 0 3 383.456 0.331 20 0 GCADHN O=C([C@@H]1CCC(=O)NC1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571233499 953193317 /nfs/dbraw/zinc/19/33/17/953193317.db2.gz WSBJVEARDMEWCF-UKRRQHHQSA-N 0 3 383.456 0.331 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@@H+]1CCc1ccnn1C ZINC001571233622 953194397 /nfs/dbraw/zinc/19/43/97/953194397.db2.gz YRKCGTWZDVGIMB-OLZOCXBDSA-N 0 3 383.460 0.754 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[N@H+]1CCc1ccnn1C ZINC001571233622 953194399 /nfs/dbraw/zinc/19/43/99/953194399.db2.gz YRKCGTWZDVGIMB-OLZOCXBDSA-N 0 3 383.460 0.754 20 0 GCADHN NC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571233632 953194701 /nfs/dbraw/zinc/19/47/01/953194701.db2.gz ZALYLTQCSBCHEF-DTZQCDIJSA-N 0 3 383.456 0.363 20 0 GCADHN NC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571233632 953194704 /nfs/dbraw/zinc/19/47/04/953194704.db2.gz ZALYLTQCSBCHEF-DTZQCDIJSA-N 0 3 383.456 0.363 20 0 GCADHN Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571233780 953195765 /nfs/dbraw/zinc/19/57/65/953195765.db2.gz CZHBENLZDWVQDC-SWLSCSKDSA-N 0 3 383.460 0.925 20 0 GCADHN Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571233780 953195768 /nfs/dbraw/zinc/19/57/68/953195768.db2.gz CZHBENLZDWVQDC-SWLSCSKDSA-N 0 3 383.460 0.925 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC001571241544 953247279 /nfs/dbraw/zinc/24/72/79/953247279.db2.gz COQYIWJPPOGDJA-INIZCTEOSA-N 0 3 384.440 0.913 20 0 GCADHN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571242313 953255709 /nfs/dbraw/zinc/25/57/09/953255709.db2.gz ZEKLJYKUDAVDMD-HOTGVXAUSA-N 0 3 384.440 0.756 20 0 GCADHN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571242313 953255711 /nfs/dbraw/zinc/25/57/11/953255711.db2.gz ZEKLJYKUDAVDMD-HOTGVXAUSA-N 0 3 384.440 0.756 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571242621 953258651 /nfs/dbraw/zinc/25/86/51/953258651.db2.gz KIGWQIDDOMKGHM-RRFJBIMHSA-N 0 3 384.444 0.017 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571242621 953258652 /nfs/dbraw/zinc/25/86/52/953258652.db2.gz KIGWQIDDOMKGHM-RRFJBIMHSA-N 0 3 384.444 0.017 20 0 GCADHN CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001571245376 953273146 /nfs/dbraw/zinc/27/31/46/953273146.db2.gz HDNXVOPUONGCAX-AAEUAGOBSA-N 0 3 384.448 0.304 20 0 GCADHN CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001571245376 953273148 /nfs/dbraw/zinc/27/31/48/953273148.db2.gz HDNXVOPUONGCAX-AAEUAGOBSA-N 0 3 384.448 0.304 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1CNCc1cn(C)nn1 ZINC001571246136 953280112 /nfs/dbraw/zinc/28/01/12/953280112.db2.gz UVYOBUGDPDMLCQ-RYUDHWBXSA-N 0 3 384.448 0.211 20 0 GCADHN Cc1nc(C)n(CCN2CCC(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n1 ZINC001571246205 953280706 /nfs/dbraw/zinc/28/07/06/953280706.db2.gz VZDQCIQMQXFTLQ-UHFFFAOYSA-N 0 3 384.448 0.298 20 0 GCADHN CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001571246372 953282401 /nfs/dbraw/zinc/28/24/01/953282401.db2.gz ZJHMNDTXTDAXEW-QWHCGFSZSA-N 0 3 384.448 0.317 20 0 GCADHN CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001571246372 953282403 /nfs/dbraw/zinc/28/24/03/953282403.db2.gz ZJHMNDTXTDAXEW-QWHCGFSZSA-N 0 3 384.448 0.317 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571252736 953333056 /nfs/dbraw/zinc/33/30/56/953333056.db2.gz VIZAPFRVDXPLMD-GJZGRUSLSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571252736 953333061 /nfs/dbraw/zinc/33/30/61/953333061.db2.gz VIZAPFRVDXPLMD-GJZGRUSLSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571252736 953333064 /nfs/dbraw/zinc/33/30/64/953333064.db2.gz VIZAPFRVDXPLMD-GJZGRUSLSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571252736 953333069 /nfs/dbraw/zinc/33/30/69/953333069.db2.gz VIZAPFRVDXPLMD-GJZGRUSLSA-N 0 3 384.488 0.949 20 0 GCADHN C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571253865 953334583 /nfs/dbraw/zinc/33/45/83/953334583.db2.gz AAAWBSZOGLKMKJ-HZMBPMFUSA-N 0 3 385.407 0.385 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC001571254267 953337063 /nfs/dbraw/zinc/33/70/63/953337063.db2.gz FGOZREJRUMKEDE-BBRMVZONSA-N 0 3 385.403 0.872 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571255164 953345922 /nfs/dbraw/zinc/34/59/22/953345922.db2.gz LWBAFKJKBYOOGQ-IAQYHMDHSA-N 0 3 385.407 0.234 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571255164 953345924 /nfs/dbraw/zinc/34/59/24/953345924.db2.gz LWBAFKJKBYOOGQ-IAQYHMDHSA-N 0 3 385.407 0.234 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CN1C(=O)c1cn(C)nn1 ZINC001571255221 953346645 /nfs/dbraw/zinc/34/66/45/953346645.db2.gz MVJJAZKDAIPWKF-CMPLNLGQSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CN1C(=O)c1cn(C)nn1 ZINC001571255221 953346647 /nfs/dbraw/zinc/34/66/47/953346647.db2.gz MVJJAZKDAIPWKF-CMPLNLGQSA-N 0 3 385.407 0.527 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCO[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001571255793 953355594 /nfs/dbraw/zinc/35/55/94/953355594.db2.gz TYXXVIBYXJCOJV-OAHLLOKOSA-N 0 3 385.403 0.965 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCO[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001571255793 953355601 /nfs/dbraw/zinc/35/56/01/953355601.db2.gz TYXXVIBYXJCOJV-OAHLLOKOSA-N 0 3 385.403 0.965 20 0 GCADHN COC[C@@]1(C(=O)[O-])CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001593962761 956505597 /nfs/dbraw/zinc/50/55/97/956505597.db2.gz PGRRPSNTBAHQBO-LJQANCHMSA-N 0 3 382.505 0.678 20 0 GCADHN COC[C@]1(C(=O)[O-])CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC001593962760 956505796 /nfs/dbraw/zinc/50/57/96/956505796.db2.gz PGRRPSNTBAHQBO-IBGZPJMESA-N 0 3 382.505 0.678 20 0 GCADHN COC[C@]1(C(=O)[O-])CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC001593971112 956617133 /nfs/dbraw/zinc/61/71/33/956617133.db2.gz ONCIAJZQLZKCLD-IBGZPJMESA-N 0 3 398.504 0.057 20 0 GCADHN C[C@H](C(=O)NCC(=O)[O-])N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000736209683 978309771 /nfs/dbraw/zinc/30/97/71/978309771.db2.gz USGOQMPJWAZRON-QAPCUYQASA-N 0 3 377.485 0.953 20 0 GCADHN CC(C)(C)OC(=O)CN1CCCC[C@H]([NH2+]C2CCN(CC(=O)[O-])CC2)C1=O ZINC001589890029 988569256 /nfs/dbraw/zinc/56/92/56/988569256.db2.gz HWALSPAJARRQPO-HNNXBMFYSA-N 0 3 383.489 0.848 20 0 GCADHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599836002 988743027 /nfs/dbraw/zinc/74/30/27/988743027.db2.gz MYTITKXUMRUSFH-LSDHHAIUSA-N 0 3 395.508 0.595 20 0 GCADHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001599836002 988743035 /nfs/dbraw/zinc/74/30/35/988743035.db2.gz MYTITKXUMRUSFH-LSDHHAIUSA-N 0 3 395.508 0.595 20 0 GCADHN C[NH+]1CCC(N2CCC(NC(=O)N3CC(c4cc(C(=O)[O-])n[nH]4)C3)CC2)CC1 ZINC001598585346 993374901 /nfs/dbraw/zinc/37/49/01/993374901.db2.gz JSOQFWUPBHJQPF-UHFFFAOYSA-N 0 3 390.488 0.775 20 0 GCADHN CN1CCC([NH+]2CCC(NC(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)CC2)CC1 ZINC001598586195 993387034 /nfs/dbraw/zinc/38/70/34/993387034.db2.gz QHMBHLJAJOYVRC-UHFFFAOYSA-N 0 3 395.548 0.735 20 0 GCADHN Cn1c2[n-]c(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)nc2c(=O)n(C)c1=O ZINC001655736790 1126255982 /nfs/dbraw/zinc/25/59/82/1126255982.db2.gz TZPHBSFIVYEJCO-SFHVURJKSA-N 0 3 375.404 0.183 20 0 GCADHN O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1C[NH2+]CCO1 ZINC000643603271 530152947 /nfs/dbraw/zinc/15/29/47/530152947.db2.gz ZCXZQZIVHFGZQS-JTQLQIEISA-N 0 3 396.296 0.766 20 0 GCADHN CNCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000237203821 530153281 /nfs/dbraw/zinc/15/32/81/530153281.db2.gz HCXIHMUHEORQSS-UHFFFAOYSA-N 0 3 376.276 0.501 20 0 GCADHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000264179856 530153373 /nfs/dbraw/zinc/15/33/73/530153373.db2.gz YKJWQURMQOYGNM-ZDUSSCGKSA-N 0 3 377.532 0.946 20 0 GCADHN CS(=O)(=O)NCCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000070059839 530117533 /nfs/dbraw/zinc/11/75/33/530117533.db2.gz RYOADYKDJDXYND-UHFFFAOYSA-N 0 3 378.564 0.587 20 0 GCADHN CC(C)N(C)CCNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000605247949 530117816 /nfs/dbraw/zinc/11/78/16/530117816.db2.gz LZRYRSSQJPKWKN-UHFFFAOYSA-N 0 3 377.413 0.763 20 0 GCADHN COCCC[N@H+](C)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000607701927 530121522 /nfs/dbraw/zinc/12/15/22/530121522.db2.gz DKOASEQHUCKNMN-LBPRGKRZSA-N 0 3 376.479 0.043 20 0 GCADHN COCCC[N@@H+](C)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000607701927 530121524 /nfs/dbraw/zinc/12/15/24/530121524.db2.gz DKOASEQHUCKNMN-LBPRGKRZSA-N 0 3 376.479 0.043 20 0 GCADHN Cc1cc(Br)cc(C)c1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000642712776 530156900 /nfs/dbraw/zinc/15/69/00/530156900.db2.gz GCXXINVGABTCHZ-CQSZACIVSA-N 0 3 397.317 0.783 20 0 GCADHN COCC1(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC[NH2+]CC1 ZINC000261808879 530130075 /nfs/dbraw/zinc/13/00/75/530130075.db2.gz WNJOQIFQJWEMNS-LBPRGKRZSA-N 0 3 375.516 0.547 20 0 GCADHN CCOC1(CS(=O)(=O)NCCCCN2CCC[C@H]2CO)CCOCC1 ZINC000625000489 530131397 /nfs/dbraw/zinc/13/13/97/530131397.db2.gz GVVQUMFCCWQGLX-INIZCTEOSA-N 0 3 378.535 0.728 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000262138936 530132610 /nfs/dbraw/zinc/13/26/10/530132610.db2.gz ONKMFUOBRQTDRF-HNNXBMFYSA-N 0 3 399.289 0.993 20 0 GCADHN CN(C)S(=O)(=O)c1ccsc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000370777942 530134096 /nfs/dbraw/zinc/13/40/96/530134096.db2.gz APVXNDYJBRVZET-ZDUSSCGKSA-N 0 3 387.527 0.982 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)N[C@@H](CO)CN1CCCCC1 ZINC000413794597 530137706 /nfs/dbraw/zinc/13/77/06/530137706.db2.gz AHZZABSPVLHOGM-CQSZACIVSA-N 0 3 386.290 0.964 20 0 GCADHN CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)c1ncccc1Br ZINC000414215292 530140716 /nfs/dbraw/zinc/14/07/16/530140716.db2.gz WTJQETWMGFFAEI-SSDOTTSWSA-N 0 3 376.232 0.995 20 0 GCADHN CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)C(C)C(=O)NCC(=O)OC(C)C ZINC000414227941 530140840 /nfs/dbraw/zinc/14/08/40/530140840.db2.gz PSOSSMSGDUFNLH-NEPJUHHUSA-N 0 3 378.491 0.551 20 0 GCADHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)[C@H](C)C(=O)NCC(=O)OC(C)C ZINC000414227941 530140841 /nfs/dbraw/zinc/14/08/41/530140841.db2.gz PSOSSMSGDUFNLH-NEPJUHHUSA-N 0 3 378.491 0.551 20 0 GCADHN NS(=O)(=O)c1ccc(CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)s1 ZINC000625181116 530141193 /nfs/dbraw/zinc/14/11/93/530141193.db2.gz DJBIFFKFGVKRRK-CYBMUJFWSA-N 0 3 387.527 0.651 20 0 GCADHN C[C@@H]([NH3+])[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000647878388 530142511 /nfs/dbraw/zinc/14/25/11/530142511.db2.gz BHEUNOLFPMPGES-BXKDBHETSA-N 0 3 396.296 0.846 20 0 GCADHN CCO[C@H](CS(=O)(=O)NCC(=O)NCCN1CCCCCC1)C1CC1 ZINC000625228103 530144011 /nfs/dbraw/zinc/14/40/11/530144011.db2.gz WQTXVDXQWPTLDH-MRXNPFEDSA-N 0 3 375.535 0.713 20 0 GCADHN COCCN(C)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000263708429 530144568 /nfs/dbraw/zinc/14/45/68/530144568.db2.gz DANSWHXDVKLEIF-CQSZACIVSA-N 0 3 389.543 0.904 20 0 GCADHN O=C(N[C@H]1CN(c2ccc(Br)cc2)C1=O)[C@H]1CN2CCN1CCC2 ZINC000332810698 530157762 /nfs/dbraw/zinc/15/77/62/530157762.db2.gz KDKODXYACRHLDE-LSDHHAIUSA-N 0 3 393.285 0.670 20 0 GCADHN COCCN(C)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000263804877 530146689 /nfs/dbraw/zinc/14/66/89/530146689.db2.gz UNTVRRSGFZQVBQ-UHFFFAOYSA-N 0 3 377.894 0.898 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)c1 ZINC000046036544 530148137 /nfs/dbraw/zinc/14/81/37/530148137.db2.gz OLLPMYLIAOXHBB-HZPDHXFCSA-N 0 3 387.527 0.842 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000264027952 530150360 /nfs/dbraw/zinc/15/03/60/530150360.db2.gz JKZUTWKTGLCFDF-UHFFFAOYSA-N 0 3 386.294 0.658 20 0 GCADHN CC(C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)S(C)(=O)=O ZINC000264126664 530152286 /nfs/dbraw/zinc/15/22/86/530152286.db2.gz DREYQMJTNXLDFQ-WCQYABFASA-N 0 3 392.474 0.528 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2occc2Br)CC1=O ZINC000556926307 530190254 /nfs/dbraw/zinc/19/02/54/530190254.db2.gz CDMKUPLDTDRGMV-NSHDSACASA-N 0 3 388.262 0.951 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)cc1 ZINC000265799298 530190512 /nfs/dbraw/zinc/19/05/12/530190512.db2.gz NUDKDXYOTLOHPU-CQSZACIVSA-N 0 3 387.527 0.701 20 0 GCADHN Cc1nc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)sc1SCC(N)=O ZINC000265878625 530192093 /nfs/dbraw/zinc/19/20/93/530192093.db2.gz IJWJRVRDISPDLS-SNVBAGLBSA-N 0 3 385.515 0.378 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000564829215 530192758 /nfs/dbraw/zinc/19/27/58/530192758.db2.gz ZZXJZIAGHRJZJV-VXGBXAGGSA-N 0 3 382.258 0.907 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000564829213 530192925 /nfs/dbraw/zinc/19/29/25/530192925.db2.gz ZZXJZIAGHRJZJV-RYUDHWBXSA-N 0 3 382.258 0.907 20 0 GCADHN CC(C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O ZINC000048006614 530196343 /nfs/dbraw/zinc/19/63/43/530196343.db2.gz KUWXDRWBNJJCLP-CYBMUJFWSA-N 0 3 388.511 0.911 20 0 GCADHN COCCC[N@H+](C)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000266167609 530196394 /nfs/dbraw/zinc/19/63/94/530196394.db2.gz RSYHDOXOCBKBTB-ZDUSSCGKSA-N 0 3 375.466 0.577 20 0 GCADHN COCCC[N@@H+](C)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000266167609 530196396 /nfs/dbraw/zinc/19/63/96/530196396.db2.gz RSYHDOXOCBKBTB-ZDUSSCGKSA-N 0 3 375.466 0.577 20 0 GCADHN COCCCN(C)CCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000266185858 530197036 /nfs/dbraw/zinc/19/70/36/530197036.db2.gz ZTDHNZFVSQZAOX-UHFFFAOYSA-N 0 3 375.466 0.579 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N(C)Cc2cc(Br)cn2C)n1 ZINC000557626810 530198134 /nfs/dbraw/zinc/19/81/34/530198134.db2.gz IWRJJXYVSQJNJL-UHFFFAOYSA-N 0 3 398.309 0.677 20 0 GCADHN CCCN(C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000266229032 530198249 /nfs/dbraw/zinc/19/82/49/530198249.db2.gz TUYAQRHVAXCALX-CYBMUJFWSA-N 0 3 389.543 0.906 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCCN(C)C2)c1 ZINC000625419957 530198581 /nfs/dbraw/zinc/19/85/81/530198581.db2.gz MXLBOVSHKRWOBZ-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NC[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000558209729 530207496 /nfs/dbraw/zinc/20/74/96/530207496.db2.gz YOHRTNJOXGOYDW-OAHLLOKOSA-N 0 3 375.535 1.000 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCCCC1 ZINC000070829464 530205570 /nfs/dbraw/zinc/20/55/70/530205570.db2.gz XHCVXAPQINYXIK-UHFFFAOYSA-N 0 3 375.516 0.877 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000584057152 530171192 /nfs/dbraw/zinc/17/11/92/530171192.db2.gz SNOOSMOVSGFXFL-CJNGLKHVSA-N 0 3 388.559 0.985 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000265197212 530177108 /nfs/dbraw/zinc/17/71/08/530177108.db2.gz IQOXFNPIPCVZPM-CQSZACIVSA-N 0 3 389.543 0.899 20 0 GCADHN CN1CC[C@H]2OCCN(C(=O)CCn3cc(Br)ccc3=O)[C@H]2C1 ZINC000556711520 530186571 /nfs/dbraw/zinc/18/65/71/530186571.db2.gz PSSDFEYOTSMRQR-UONOGXRCSA-N 0 3 384.274 0.932 20 0 GCADHN CN1CC[C@@H]2OCCN(C(=O)CCn3cc(Br)ccc3=O)[C@@H]2C1 ZINC000556711519 530186724 /nfs/dbraw/zinc/18/67/24/530186724.db2.gz PSSDFEYOTSMRQR-KGLIPLIRSA-N 0 3 384.274 0.932 20 0 GCADHN COCCCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000564630051 530206758 /nfs/dbraw/zinc/20/67/58/530206758.db2.gz ZESXPUQMGLUNAH-UHFFFAOYSA-N 0 3 378.516 0.727 20 0 GCADHN CCCCN1CCCC[C@H]1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408433654 530187413 /nfs/dbraw/zinc/18/74/13/530187413.db2.gz NETLOGYMDHENEH-HNNXBMFYSA-N 0 3 396.579 0.053 20 0 GCADHN CCN(CC)[C@H](C)CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268193984 530222913 /nfs/dbraw/zinc/22/29/13/530222913.db2.gz XEAHRVRBUBSRJA-CQSZACIVSA-N 0 3 377.532 0.615 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000559161557 530223732 /nfs/dbraw/zinc/22/37/32/530223732.db2.gz VGBJVNBCNLZQKR-ZJUUUORDSA-N 0 3 379.422 0.778 20 0 GCADHN CC(C)N1CCC(N(C)S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000105688444 530251225 /nfs/dbraw/zinc/25/12/25/530251225.db2.gz PDHNWEIZHYOWCG-UHFFFAOYSA-N 0 3 375.516 0.827 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000268361097 530225573 /nfs/dbraw/zinc/22/55/73/530225573.db2.gz HBCQEYUKBYZJCN-UHFFFAOYSA-N 0 3 388.559 0.216 20 0 GCADHN COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000588894404 530226942 /nfs/dbraw/zinc/22/69/42/530226942.db2.gz CROXVSUWEGQNIL-OAHLLOKOSA-N 0 3 375.535 0.616 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)NCC2(O)CCN(C(C)C)CC2)s1 ZINC000269836224 530251340 /nfs/dbraw/zinc/25/13/40/530251340.db2.gz PQEVQQULNUYZLJ-UHFFFAOYSA-N 0 3 389.543 0.898 20 0 GCADHN O=C(CNC[C@H](O)COc1ccc(Cl)cc1Br)NCCO ZINC000518376063 530228011 /nfs/dbraw/zinc/22/80/11/530228011.db2.gz WPEJFWRPWVHXFY-JTQLQIEISA-N 0 3 381.654 0.540 20 0 GCADHN O=S(=O)(CCNS(=O)(=O)c1ccccc1)NC[C@@H]1CCN(C2CC2)C1 ZINC000268613763 530230386 /nfs/dbraw/zinc/23/03/86/530230386.db2.gz MWTKAOGPSHEGBJ-AWEZNQCLSA-N 0 3 387.527 0.369 20 0 GCADHN C[C@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)CN1CCCC1 ZINC000268660468 530230993 /nfs/dbraw/zinc/23/09/93/530230993.db2.gz WUDGMKIPZJXLBJ-OAHLLOKOSA-N 0 3 389.543 0.616 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCCNC2CC2)c1 ZINC000647210371 530231083 /nfs/dbraw/zinc/23/10/83/530231083.db2.gz CLDKQEYLZHCKNF-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CCSC1 ZINC000268689998 530231879 /nfs/dbraw/zinc/23/18/79/530231879.db2.gz PMMGBAYXDZHDAF-ZDUSSCGKSA-N 0 3 379.408 0.937 20 0 GCADHN CCS(=O)(=O)N(C)CCCN[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000268808266 530232671 /nfs/dbraw/zinc/23/26/71/530232671.db2.gz JVOXDOUGZGBVSG-CYBMUJFWSA-N 0 3 377.532 0.917 20 0 GCADHN CNS(=O)(=O)c1cccc([C@H](C)NCC2CCN(S(C)(=O)=O)CC2)c1 ZINC000268855337 530233273 /nfs/dbraw/zinc/23/32/73/530233273.db2.gz ZALBKRDYKXOHMC-ZDUSSCGKSA-N 0 3 389.543 0.917 20 0 GCADHN CSCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000269085143 530235372 /nfs/dbraw/zinc/23/53/72/530235372.db2.gz MDZXZFQWTMXWNO-AWEZNQCLSA-N 0 3 375.491 0.739 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000518605736 530235674 /nfs/dbraw/zinc/23/56/74/530235674.db2.gz VCKLSELJSIFNMO-LLVKDONJSA-N 0 3 395.934 0.859 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000269199144 530236298 /nfs/dbraw/zinc/23/62/98/530236298.db2.gz DSOQZRGUAFIULL-CYBMUJFWSA-N 0 3 375.878 0.503 20 0 GCADHN CN(C)Cc1cccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000026854567 530236414 /nfs/dbraw/zinc/23/64/14/530236414.db2.gz CXTGSJVEKKFLBP-UHFFFAOYSA-N 0 3 383.495 0.874 20 0 GCADHN O=C(C[C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000269183603 530236456 /nfs/dbraw/zinc/23/64/56/530236456.db2.gz CYTGPZWNKPXCLR-CQSZACIVSA-N 0 3 387.889 0.551 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)c(C)s1 ZINC000269271452 530236708 /nfs/dbraw/zinc/23/67/08/530236708.db2.gz XOTLHKHNDBSGAT-CQSZACIVSA-N 0 3 387.527 0.576 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000269276006 530237100 /nfs/dbraw/zinc/23/71/00/530237100.db2.gz NZCOQVKUVXLHCM-UHFFFAOYSA-N 0 3 375.491 0.434 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000410428534 530237848 /nfs/dbraw/zinc/23/78/48/530237848.db2.gz YSQAZZWPXZHNAY-GFCCVEGCSA-N 0 3 398.305 0.925 20 0 GCADHN N[C@@H]1C[C@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707491 530241737 /nfs/dbraw/zinc/24/17/37/530241737.db2.gz BGNNBRUZVNLZPE-GUTXKFCHSA-N 0 3 393.285 0.946 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CCSC1 ZINC000269552804 530243097 /nfs/dbraw/zinc/24/30/97/530243097.db2.gz FZJQHHQQSVULBG-CYBMUJFWSA-N 0 3 379.408 0.937 20 0 GCADHN CN1CCC(NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000269684813 530244879 /nfs/dbraw/zinc/24/48/79/530244879.db2.gz UUYDCEZSGVNBIN-UHFFFAOYSA-N 0 3 376.276 0.921 20 0 GCADHN C[C@H](CNC(=O)c1nc2ncc(Br)cn2n1)CN1CCN(C)CC1 ZINC000098035913 530245320 /nfs/dbraw/zinc/24/53/20/530245320.db2.gz LHROSWAGSRAYKX-LLVKDONJSA-N 0 3 396.293 0.500 20 0 GCADHN COCCN(CCN(C)C)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000269709008 530245680 /nfs/dbraw/zinc/24/56/80/530245680.db2.gz SOZBYXAHPJBFOY-UHFFFAOYSA-N 0 3 378.520 0.246 20 0 GCADHN CN(C)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ncc1Br ZINC000584302770 530247920 /nfs/dbraw/zinc/24/79/20/530247920.db2.gz NNWSNKCWCQGSPR-GXSJLCMTSA-N 0 3 397.277 0.686 20 0 GCADHN CN(C)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ncc1Br ZINC000584302772 530247947 /nfs/dbraw/zinc/24/79/47/530247947.db2.gz NNWSNKCWCQGSPR-MWLCHTKSSA-N 0 3 397.277 0.686 20 0 GCADHN COCCN(C)CCCNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000269767661 530248252 /nfs/dbraw/zinc/24/82/52/530248252.db2.gz AOEBDWZOUCKSSS-ZDUSSCGKSA-N 0 3 393.531 0.150 20 0 GCADHN CCN1CCC(NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000269802300 530250002 /nfs/dbraw/zinc/25/00/02/530250002.db2.gz RJRMZTLRWISHNI-ZDUSSCGKSA-N 0 3 375.516 0.666 20 0 GCADHN CN1CC[C@H](CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 ZINC000624485101 530208937 /nfs/dbraw/zinc/20/89/37/530208937.db2.gz LNCZVPAGJPZLKZ-GFCCVEGCSA-N 0 3 387.527 0.575 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000069044433 530210140 /nfs/dbraw/zinc/21/01/40/530210140.db2.gz LCABWHXTIUJMAI-LLVKDONJSA-N 0 3 387.278 0.536 20 0 GCADHN CC(C)[N@H+]1CCC[C@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000069044433 530210142 /nfs/dbraw/zinc/21/01/42/530210142.db2.gz LCABWHXTIUJMAI-LLVKDONJSA-N 0 3 387.278 0.536 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@]2(N(C)C)CCSC2)s1 ZINC000267194794 530210246 /nfs/dbraw/zinc/21/02/46/530210246.db2.gz PJJYXYLVKAUUBH-CQSZACIVSA-N 0 3 392.572 0.893 20 0 GCADHN CSC1(CNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CCN(C)CC1 ZINC000558555834 530211640 /nfs/dbraw/zinc/21/16/40/530211640.db2.gz UCOJDFALMFNBPZ-UHFFFAOYSA-N 0 3 386.543 0.889 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000269827504 530251119 /nfs/dbraw/zinc/25/11/19/530251119.db2.gz ZKYSEYYZARFKCA-LBPRGKRZSA-N 0 3 387.893 0.244 20 0 GCADHN C[C@H](CNC(=O)Cn1cc(Br)ccc1=O)CN1CCN(C)CC1 ZINC000121802630 530271872 /nfs/dbraw/zinc/27/18/72/530271872.db2.gz JLBKCUYUBDBQLM-CYBMUJFWSA-N 0 3 385.306 0.611 20 0 GCADHN C[C@@H](CNC(=O)Cn1cc(Br)ccc1=O)CN1CCN(C)CC1 ZINC000121802461 530271926 /nfs/dbraw/zinc/27/19/26/530271926.db2.gz JLBKCUYUBDBQLM-ZDUSSCGKSA-N 0 3 385.306 0.611 20 0 GCADHN COC[C@@H](C)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271412011 530272383 /nfs/dbraw/zinc/27/23/83/530272383.db2.gz YPBXFRBFVYZJCT-GFCCVEGCSA-N 0 3 380.488 0.416 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C1CC1 ZINC000271615911 530273818 /nfs/dbraw/zinc/27/38/18/530273818.db2.gz HSQMDFYAVGEJDG-UHFFFAOYSA-N 0 3 388.877 0.860 20 0 GCADHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000124977853 530276843 /nfs/dbraw/zinc/27/68/43/530276843.db2.gz XFPZYKFVHQPYMS-JTQLQIEISA-N 0 3 387.278 0.933 20 0 GCADHN CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@@H](CN)C1 ZINC000572600430 530276985 /nfs/dbraw/zinc/27/69/85/530276985.db2.gz UYTLDSGUMJJJDS-WFASDCNBSA-N 0 3 395.301 0.903 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000124965416 530277046 /nfs/dbraw/zinc/27/70/46/530277046.db2.gz IQJVOIKYPYHXIZ-LLVKDONJSA-N 0 3 385.262 0.687 20 0 GCADHN C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000272207708 530279580 /nfs/dbraw/zinc/27/95/80/530279580.db2.gz HGQGLWFLQKITKZ-RKDXNWHRSA-N 0 3 396.332 0.985 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)NC(C)(C)CCN2CCN(C)CC2)s1 ZINC000561530715 530280048 /nfs/dbraw/zinc/28/00/48/530280048.db2.gz YHSSXGYTCMTLQJ-UHFFFAOYSA-N 0 3 389.547 0.796 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000272497640 530281342 /nfs/dbraw/zinc/28/13/42/530281342.db2.gz DFOUWNZFBLTSMC-NKWVEPMBSA-N 0 3 382.305 0.980 20 0 GCADHN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000565043551 530282547 /nfs/dbraw/zinc/28/25/47/530282547.db2.gz GGSRSCQJOOZNSD-LBPRGKRZSA-N 0 3 375.878 0.698 20 0 GCADHN COc1cc(Br)cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000565044317 530282550 /nfs/dbraw/zinc/28/25/50/530282550.db2.gz NNVWZKFYLKZOPU-NSHDSACASA-N 0 3 378.292 0.721 20 0 GCADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000561784550 530283797 /nfs/dbraw/zinc/28/37/97/530283797.db2.gz JSNXIZRATDEZOJ-ZBFHGGJFSA-N 0 3 375.535 0.664 20 0 GCADHN CCNC(=O)NC(=O)[C@H](C)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000561788390 530284072 /nfs/dbraw/zinc/28/40/72/530284072.db2.gz YHHYHYDCRKLXEX-STQMWFEESA-N 0 3 376.523 0.603 20 0 GCADHN CN(C1CNC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000647299631 530284169 /nfs/dbraw/zinc/28/41/69/530284169.db2.gz YAWYUTCLNRCLFA-UHFFFAOYSA-N 0 3 387.527 0.844 20 0 GCADHN CC(C)NS(=O)(=O)NCCN[C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000562630824 530294636 /nfs/dbraw/zinc/29/46/36/530294636.db2.gz XJLQEIARBFRIBH-OAHLLOKOSA-N 0 3 390.531 0.133 20 0 GCADHN COCCNc1nc(NC[C@H]2CCCS2)nc(NC[C@H]2CCCS2)n1 ZINC000448132222 530287551 /nfs/dbraw/zinc/28/75/51/530287551.db2.gz IQHGUIJZQHFVEV-CHWSQXEVSA-N 0 3 384.575 0.811 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000131941919 530290101 /nfs/dbraw/zinc/29/01/01/530290101.db2.gz BOSIKUMXQWUGBB-CQSZACIVSA-N 0 3 376.226 0.956 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000131986257 530290146 /nfs/dbraw/zinc/29/01/46/530290146.db2.gz INAPKEXGFSLANM-INIZCTEOSA-N 0 3 384.274 0.767 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000132082089 530290476 /nfs/dbraw/zinc/29/04/76/530290476.db2.gz FTPNBVXDFSLIKI-CQSZACIVSA-N 0 3 376.226 0.956 20 0 GCADHN CN1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)[C@@H](CN)C1 ZINC000566797923 530290773 /nfs/dbraw/zinc/29/07/73/530290773.db2.gz QTMXZFAZSWIPNA-LBPRGKRZSA-N 0 3 390.303 0.324 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CC[NH+](C)C)c(C(=O)OC)s1 ZINC000269866012 530252648 /nfs/dbraw/zinc/25/26/48/530252648.db2.gz SUOXDSZUHLGSQI-SECBINFHSA-N 0 3 378.472 0.940 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000270395480 530259271 /nfs/dbraw/zinc/25/92/71/530259271.db2.gz UCZIINNDSVDWFG-UHFFFAOYSA-N 0 3 375.516 0.332 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000270395480 530259273 /nfs/dbraw/zinc/25/92/73/530259273.db2.gz UCZIINNDSVDWFG-UHFFFAOYSA-N 0 3 375.516 0.332 20 0 GCADHN CCCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000048722031 530259868 /nfs/dbraw/zinc/25/98/68/530259868.db2.gz BJPFFEYANRAZOB-LBPRGKRZSA-N 0 3 392.499 0.894 20 0 GCADHN CC(C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000560079113 530260115 /nfs/dbraw/zinc/26/01/15/530260115.db2.gz VFBMEKOVTRAQDL-GXTWGEPZSA-N 0 3 389.495 0.689 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000112922391 530261411 /nfs/dbraw/zinc/26/14/11/530261411.db2.gz IPMHPAYDUTZQOE-CQSZACIVSA-N 0 3 388.559 0.416 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)CN1CCN(C)CC1 ZINC000114141072 530262355 /nfs/dbraw/zinc/26/23/55/530262355.db2.gz JKUMWDJGFAWDBE-ZIAGYGMSSA-N 0 3 388.559 0.415 20 0 GCADHN C[C@@H](CCO)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000564975959 530263879 /nfs/dbraw/zinc/26/38/79/530263879.db2.gz PSIIGECHAYMAOP-ZDUSSCGKSA-N 0 3 378.516 0.319 20 0 GCADHN CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)C[C@H]1N(C)C ZINC000270790303 530264011 /nfs/dbraw/zinc/26/40/11/530264011.db2.gz UXAUDJSSOUCQKH-HUUCEWRRSA-N 0 3 389.518 0.998 20 0 GCADHN COCCN(C)CCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000588934473 530266883 /nfs/dbraw/zinc/26/68/83/530266883.db2.gz MEYZAHVJRONBHX-UHFFFAOYSA-N 0 3 377.894 0.703 20 0 GCADHN CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@@H]1N(C)C ZINC000271129713 530268374 /nfs/dbraw/zinc/26/83/74/530268374.db2.gz MPCDMQRALKZLMM-NWDGAFQWSA-N 0 3 377.557 0.921 20 0 GCADHN CC(C(=O)NCCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000120082480 530268871 /nfs/dbraw/zinc/26/88/71/530268871.db2.gz DKNDQWLGBDJCND-SECBINFHSA-N 0 3 377.260 0.728 20 0 GCADHN CCN(CC)CCN(C(=O)CNC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000564994535 530270251 /nfs/dbraw/zinc/27/02/51/530270251.db2.gz CFIPAWBMUQIODT-JKSUJKDBSA-N 0 3 375.535 0.113 20 0 GCADHN CCN(CC)CCN(C(=O)CNC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000564994534 530270464 /nfs/dbraw/zinc/27/04/64/530270464.db2.gz CFIPAWBMUQIODT-HZPDHXFCSA-N 0 3 375.535 0.113 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000562872933 530296817 /nfs/dbraw/zinc/29/68/17/530296817.db2.gz LWDSWHMPUZUHRJ-NWDGAFQWSA-N 0 3 388.456 0.982 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000274528669 530297528 /nfs/dbraw/zinc/29/75/28/530297528.db2.gz ZRPNBZUNTSRFAP-UHFFFAOYSA-N 0 3 388.262 0.827 20 0 GCADHN CCN(CCO)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000274543090 530297803 /nfs/dbraw/zinc/29/78/03/530297803.db2.gz LBMBUNAXAZXHLS-UHFFFAOYSA-N 0 3 389.543 0.506 20 0 GCADHN Cc1[nH]c(=O)c(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1Br ZINC000618307660 530300077 /nfs/dbraw/zinc/30/00/77/530300077.db2.gz 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ZINC000570842562 530326287 /nfs/dbraw/zinc/32/62/87/530326287.db2.gz YZEPQXGOMJYBOV-LBPRGKRZSA-N 0 3 391.515 0.816 20 0 GCADHN O=S1(=O)CCO[C@@H](CNC[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000570920647 530327796 /nfs/dbraw/zinc/32/77/96/530327796.db2.gz SYLOLSRCXLSGSH-RYUDHWBXSA-N 0 3 383.388 0.848 20 0 GCADHN Cn1cc(CNC[C@@H](CO)Cc2cccc(Br)c2)c(=O)n(C)c1=O ZINC000277102233 530329084 /nfs/dbraw/zinc/32/90/84/530329084.db2.gz WNWWRCGQNWVMOW-ZDUSSCGKSA-N 0 3 396.285 0.787 20 0 GCADHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000281338471 530358303 /nfs/dbraw/zinc/35/83/03/530358303.db2.gz BGDFLRQLSUPMQL-GFCCVEGCSA-N 0 3 375.516 0.836 20 0 GCADHN COc1nc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)ncc1Br ZINC000176139964 530359358 /nfs/dbraw/zinc/35/93/58/530359358.db2.gz PGZJWTHBZCTHBN-GFCCVEGCSA-N 0 3 384.278 0.991 20 0 GCADHN O=S1(=O)CCO[C@@H](CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644612640 530359662 /nfs/dbraw/zinc/35/96/62/530359662.db2.gz SGKGLQHFWOAMBC-OCCSQVGLSA-N 0 3 383.388 0.848 20 0 GCADHN COCC[C@@H](C)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000644669248 530359962 /nfs/dbraw/zinc/35/99/62/530359962.db2.gz KDBODCPAWVNMEY-CQSZACIVSA-N 0 3 392.543 0.973 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000178147305 530363691 /nfs/dbraw/zinc/36/36/91/530363691.db2.gz FQGMYTFZNOYMQB-CYBMUJFWSA-N 0 3 397.273 0.516 20 0 GCADHN CN(C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)[C@H]1CC[NH2+]C1 ZINC000179123466 530365759 /nfs/dbraw/zinc/36/57/59/530365759.db2.gz VDLFIBQGHRGMKV-QMMMGPOBSA-N 0 3 382.305 0.609 20 0 GCADHN CCCN(CC)CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000179820934 530367559 /nfs/dbraw/zinc/36/75/59/530367559.db2.gz RUPKDJYOFRLIMB-UHFFFAOYSA-N 0 3 387.278 0.934 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000332920486 530331975 /nfs/dbraw/zinc/33/19/75/530331975.db2.gz ICMMMDBYDUJSRF-NHCYSSNCSA-N 0 3 390.531 0.813 20 0 GCADHN C[C@@H]1NCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)[C@H]1C ZINC000277436500 530332113 /nfs/dbraw/zinc/33/21/13/530332113.db2.gz CZIUUSXKYMWJDJ-IUCAKERBSA-N 0 3 376.276 0.919 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@H]1CC[C@H](O)C1 ZINC000647529020 530333180 /nfs/dbraw/zinc/33/31/80/530333180.db2.gz ULGDRGKEVQFONG-KBPBESRZSA-N 0 3 390.527 0.461 20 0 GCADHN CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](CN)C1 ZINC000580190125 530338026 /nfs/dbraw/zinc/33/80/26/530338026.db2.gz UCSZAFFMSZEMSS-STQMWFEESA-N 0 3 395.301 0.903 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NCCN(C)C)cc(Br)c1F ZINC000278336866 530340751 /nfs/dbraw/zinc/34/07/51/530340751.db2.gz JVBVZZREGHWAKR-UHFFFAOYSA-N 0 3 390.209 0.991 20 0 GCADHN COC(=O)C1CCN(S(=O)(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000589296253 530344493 /nfs/dbraw/zinc/34/44/93/530344493.db2.gz ZYZMVXHYZLXDPM-UHFFFAOYSA-N 0 3 379.548 0.533 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC1(SC)CCN(C)CC1 ZINC000589624412 530346139 /nfs/dbraw/zinc/34/61/39/530346139.db2.gz HAAVEYHITFWQAE-CYBMUJFWSA-N 0 3 397.632 0.991 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCCN1CCCC1 ZINC000642977362 530349912 /nfs/dbraw/zinc/34/99/12/530349912.db2.gz WOVAACRZDRAHBV-UHFFFAOYSA-N 0 3 390.303 0.939 20 0 GCADHN O=C(CNS(=O)(=O)c1cccc(Br)c1)NCCN1CCCC1 ZINC000642977322 530350015 /nfs/dbraw/zinc/35/00/15/530350015.db2.gz HFBUJRCQGDKYEE-UHFFFAOYSA-N 0 3 390.303 0.939 20 0 GCADHN CC[NH+](CC)C[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000173577870 530353021 /nfs/dbraw/zinc/35/30/21/530353021.db2.gz PCWMVLQWPWKIFC-NSHDSACASA-N 0 3 387.278 0.489 20 0 GCADHN CO[C@H](CS(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000658379483 530373665 /nfs/dbraw/zinc/37/36/65/530373665.db2.gz PZAYNZMJEFVBNW-KGLIPLIRSA-N 0 3 387.468 0.947 20 0 GCADHN CN(C)C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000282849040 530375065 /nfs/dbraw/zinc/37/50/65/530375065.db2.gz LJMHIVYLFVEYAF-OAHLLOKOSA-N 0 3 388.921 0.974 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccc(Br)cc1 ZINC000283127480 530377418 /nfs/dbraw/zinc/37/74/18/530377418.db2.gz SZGIHNDSRCSOLG-QMMMGPOBSA-N 0 3 376.232 0.795 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cscc3Br)CCN2C1=O ZINC000601343105 530379313 /nfs/dbraw/zinc/37/93/13/530379313.db2.gz KVEBBNQKGVIFBO-VXNVDRBHSA-N 0 3 380.289 0.443 20 0 GCADHN CN(C)[C@H]1CCCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000601354114 530380477 /nfs/dbraw/zinc/38/04/77/530380477.db2.gz MJGKUMYBECXGKO-GJZGRUSLSA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)CCOCCNC(=O)C(=O)NCc1ccsc1Br ZINC000497319892 530381433 /nfs/dbraw/zinc/38/14/33/530381433.db2.gz IPQMGBSEXWZTJH-UHFFFAOYSA-N 0 3 378.292 0.821 20 0 GCADHN CCOCCCNC(=O)C(C)S(=O)(=O)CC(=O)Nc1nc(C)cs1 ZINC000283758253 530381813 /nfs/dbraw/zinc/38/18/13/530381813.db2.gz HGSPQNLNADLGSZ-LLVKDONJSA-N 0 3 377.488 0.736 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([NH2+]C)C2)c(OC)c1 ZINC000497352096 530381915 /nfs/dbraw/zinc/38/19/15/530381915.db2.gz HBQVDRYREAFEPF-LBPRGKRZSA-N 0 3 377.488 0.439 20 0 GCADHN CCN(C(=O)NCCCCN1CCN(CC)CC1)[C@@H](C)CS(C)(=O)=O ZINC000497352188 530381937 /nfs/dbraw/zinc/38/19/37/530381937.db2.gz IHRDXVJPFXYCFY-INIZCTEOSA-N 0 3 376.567 0.869 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[NH2+]CC2)c(OC)c1 ZINC000497350508 530381942 /nfs/dbraw/zinc/38/19/42/530381942.db2.gz SQDKTYMOCVXEHC-UHFFFAOYSA-N 0 3 391.515 0.831 20 0 GCADHN CCN1CCN(CCCCNC(=O)N(C)[C@H](C)CS(=O)(=O)CC)CC1 ZINC000500783556 530384145 /nfs/dbraw/zinc/38/41/45/530384145.db2.gz VMVLHRLJWVUDDZ-MRXNPFEDSA-N 0 3 376.567 0.869 20 0 GCADHN COc1ccc(CS(=O)(=O)C(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000498780108 530384625 /nfs/dbraw/zinc/38/46/25/530384625.db2.gz HMMLDWZZFDZVMO-ZYHUDNBSSA-N 0 3 393.458 0.441 20 0 GCADHN COc1ccc(CS(=O)(=O)C(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000498780105 530384873 /nfs/dbraw/zinc/38/48/73/530384873.db2.gz HMMLDWZZFDZVMO-CMPLNLGQSA-N 0 3 393.458 0.441 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1F ZINC000364218883 530387090 /nfs/dbraw/zinc/38/70/90/530387090.db2.gz ULPSKKDEIUYSGR-LLVKDONJSA-N 0 3 395.478 0.326 20 0 GCADHN NS(=O)(=O)CCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285060260 530389191 /nfs/dbraw/zinc/38/91/91/530389191.db2.gz IKULVVULLAQKHS-CQSZACIVSA-N 0 3 375.441 0.939 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](N)CCSC)cc1 ZINC000497725786 530389286 /nfs/dbraw/zinc/38/92/86/530389286.db2.gz PAERJUANNUEPDG-AWEZNQCLSA-N 0 3 375.516 0.308 20 0 GCADHN CN(CCN(C)S(=O)(=O)c1cc(Cl)cnc1N)C1CCN(C)CC1 ZINC000181072382 530370312 /nfs/dbraw/zinc/37/03/12/530370312.db2.gz DMIKKXTVPKUUJU-UHFFFAOYSA-N 0 3 375.926 0.964 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000181446904 530371267 /nfs/dbraw/zinc/37/12/67/530371267.db2.gz WHANUYYLLXKWRY-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000282422120 530371315 /nfs/dbraw/zinc/37/13/15/530371315.db2.gz FONDADVBCNSYEH-CYBMUJFWSA-N 0 3 389.543 0.946 20 0 GCADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](N)CCSC)CC1 ZINC000497946675 530395795 /nfs/dbraw/zinc/39/57/95/530395795.db2.gz SUGBIVFRXWNVQN-ZDUSSCGKSA-N 0 3 386.543 0.324 20 0 GCADHN CS(=O)(=O)C1(C(=O)NCC(=O)OCc2ccccc2Cl)CCNCC1 ZINC000285690878 530396399 /nfs/dbraw/zinc/39/63/99/530396399.db2.gz AQTCDHWPNVXMQT-UHFFFAOYSA-N 0 3 388.873 0.666 20 0 GCADHN CC(=O)NCCc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)s1 ZINC000605787714 530397418 /nfs/dbraw/zinc/39/74/18/530397418.db2.gz XNQWULDMWYVFOG-UHFFFAOYSA-N 0 3 389.543 0.816 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195244541 530397518 /nfs/dbraw/zinc/39/75/18/530397518.db2.gz AZVYKAQZFUJUJU-DTORHVGOSA-N 0 3 394.316 0.467 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(CCO)C(C)(C)C1 ZINC000590755571 530401192 /nfs/dbraw/zinc/40/11/92/530401192.db2.gz KRECYTCGPXYSBZ-NSHDSACASA-N 0 3 390.424 0.589 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1 ZINC000286591768 530402010 /nfs/dbraw/zinc/40/20/10/530402010.db2.gz GJFOCCCAWIRSQR-XJKSGUPXSA-N 0 3 387.527 0.842 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000286820192 530404034 /nfs/dbraw/zinc/40/40/34/530404034.db2.gz WHVDLTNHWFJRMP-UHFFFAOYSA-N 0 3 375.491 0.516 20 0 GCADHN C[C@H](C[S@@](C)=O)NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000286930589 530404774 /nfs/dbraw/zinc/40/47/74/530404774.db2.gz DHGISKSYBTWJJE-YMXBGEKHSA-N 0 3 385.555 0.960 20 0 GCADHN CCCCS(=O)(=O)N1CCC(C(=O)N(CCOC)CCN(C)C)CC1 ZINC000591302217 530407050 /nfs/dbraw/zinc/40/70/50/530407050.db2.gz ZUSQZYXYESPTJW-UHFFFAOYSA-N 0 3 377.551 0.865 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000591286127 530407521 /nfs/dbraw/zinc/40/75/21/530407521.db2.gz QNSLELDOMOTHTQ-ZIAGYGMSSA-N 0 3 389.543 0.984 20 0 GCADHN C[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000591386398 530408117 /nfs/dbraw/zinc/40/81/17/530408117.db2.gz AIWHRIROADRKLS-CYBMUJFWSA-N 0 3 375.516 0.877 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)N(C)CC2CCN(C[C@H](C)O)CC2)s1 ZINC000287650229 530410748 /nfs/dbraw/zinc/41/07/48/530410748.db2.gz CFLRJFYMMDNUOS-NSHDSACASA-N 0 3 390.531 0.815 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)s1 ZINC000287650226 530410752 /nfs/dbraw/zinc/41/07/52/530410752.db2.gz CFLRJFYMMDNUOS-LLVKDONJSA-N 0 3 390.531 0.815 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cnc(NC(C)=O)s2)CC1 ZINC000288088866 530414741 /nfs/dbraw/zinc/41/47/41/530414741.db2.gz KKMOBYCQUXQFKN-LBPRGKRZSA-N 0 3 389.547 0.653 20 0 GCADHN CSCC[C@@H](N)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000592137619 530414835 /nfs/dbraw/zinc/41/48/35/530414835.db2.gz LXTVSMLXIFUWEU-CYBMUJFWSA-N 0 3 387.531 0.182 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000288368475 530417457 /nfs/dbraw/zinc/41/74/57/530417457.db2.gz YVUIEGCMRQXTGQ-LBPRGKRZSA-N 0 3 376.504 0.617 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000288368475 530417458 /nfs/dbraw/zinc/41/74/58/530417458.db2.gz YVUIEGCMRQXTGQ-LBPRGKRZSA-N 0 3 376.504 0.617 20 0 GCADHN COC(=O)CC[C@H](N)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000288507554 530418443 /nfs/dbraw/zinc/41/84/43/530418443.db2.gz BRMWGPTXBYXPTP-LBPRGKRZSA-N 0 3 386.246 0.576 20 0 GCADHN COC(=O)CC[C@H](N)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000288526773 530418943 /nfs/dbraw/zinc/41/89/43/530418943.db2.gz DEWPEMAAAHIBDU-JQWIXIFHSA-N 0 3 389.246 0.586 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000288646163 530419675 /nfs/dbraw/zinc/41/96/75/530419675.db2.gz XUCDSDIPBRGSLE-CHWSQXEVSA-N 0 3 375.516 0.378 20 0 GCADHN CNC(=O)CN1CCC(NCc2cnn3cc(Br)cnc23)CC1 ZINC000638358479 530422880 /nfs/dbraw/zinc/42/28/80/530422880.db2.gz ZZRWDLAFDBYMIH-UHFFFAOYSA-N 0 3 381.278 0.792 20 0 GCADHN C[C@H](NC(=O)c1ccc(I)cn1)C(=O)NCCN(C)C ZINC000594359526 530427900 /nfs/dbraw/zinc/42/79/00/530427900.db2.gz MGLYVXPMUQALIM-VIFPVBQESA-N 0 3 390.225 0.482 20 0 GCADHN CCCCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000593925032 530425661 /nfs/dbraw/zinc/42/56/61/530425661.db2.gz IYNZBMTZROMNKT-INIZCTEOSA-N 0 3 375.535 0.665 20 0 GCADHN CO[C@H](CN)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000289931922 530428845 /nfs/dbraw/zinc/42/88/45/530428845.db2.gz KZZGEDVXLLFXFY-CMPLNLGQSA-N 0 3 394.209 0.121 20 0 GCADHN CS(=O)(=O)CCOCCN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290823733 530436588 /nfs/dbraw/zinc/43/65/88/530436588.db2.gz XENGTMFIXIYYRM-OAHLLOKOSA-N 0 3 376.500 0.362 20 0 GCADHN CS(=O)(=O)CCOCCN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290823731 530436736 /nfs/dbraw/zinc/43/67/36/530436736.db2.gz XENGTMFIXIYYRM-HNNXBMFYSA-N 0 3 376.500 0.362 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)NCCOc1cccc(C)c1 ZINC000290940791 530437665 /nfs/dbraw/zinc/43/76/65/530437665.db2.gz KRHZNJSGSSKFLH-CQSZACIVSA-N 0 3 391.511 0.728 20 0 GCADHN CCCC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000290661962 530435300 /nfs/dbraw/zinc/43/53/00/530435300.db2.gz RVLKXNFPBGVUKG-SNVBAGLBSA-N 0 3 375.267 0.948 20 0 GCADHN CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000290661962 530435302 /nfs/dbraw/zinc/43/53/02/530435302.db2.gz RVLKXNFPBGVUKG-SNVBAGLBSA-N 0 3 375.267 0.948 20 0 GCADHN Cn1nc2cc(Br)ccc2c1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594878278 530442623 /nfs/dbraw/zinc/44/26/23/530442623.db2.gz XXIHUOUTSULEMC-CMPLNLGQSA-N 0 3 392.257 0.720 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000594875778 530442765 /nfs/dbraw/zinc/44/27/65/530442765.db2.gz PHIAJHHPAXQQDA-WCQYABFASA-N 0 3 387.845 0.059 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3sc4c(c3Br)CNC4)CCN2C1=O ZINC000594880151 530442821 /nfs/dbraw/zinc/44/28/21/530442821.db2.gz TZGIYMVNEBPNCW-APPZFPTMSA-N 0 3 385.287 0.498 20 0 GCADHN CN(C)S(=O)(=O)NCCNCc1cnc2ccc(Br)cn12 ZINC000291454920 530440529 /nfs/dbraw/zinc/44/05/29/530440529.db2.gz MPICXXXAWXGPEC-UHFFFAOYSA-N 0 3 376.280 0.582 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000595279005 530445684 /nfs/dbraw/zinc/44/56/84/530445684.db2.gz WLGDUKLXZHZPJW-ZWNOBZJWSA-N 0 3 385.251 0.380 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292131244 530444847 /nfs/dbraw/zinc/44/48/47/530444847.db2.gz XWIIVZZCCWGJEU-INIZCTEOSA-N 0 3 387.527 0.653 20 0 GCADHN CN(C(=O)C(=O)Nc1ccc(I)cc1F)C1CNC1 ZINC000595239408 530445109 /nfs/dbraw/zinc/44/51/09/530445109.db2.gz ULKQMWXODOBCOJ-UHFFFAOYSA-N 0 3 377.157 0.799 20 0 GCADHN CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595240365 530445352 /nfs/dbraw/zinc/44/53/52/530445352.db2.gz IQPHUVQTQROBQL-WDEREUQCSA-N 0 3 382.873 0.771 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)N[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000296569896 530470700 /nfs/dbraw/zinc/47/07/00/530470700.db2.gz SWBQMDFJHQJNPL-IUODEOHRSA-N 0 3 375.516 0.629 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)N[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000296569901 530470749 /nfs/dbraw/zinc/47/07/49/530470749.db2.gz SWBQMDFJHQJNPL-SWLSCSKDSA-N 0 3 375.516 0.629 20 0 GCADHN CC(C(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O)S(C)(=O)=O ZINC000293894859 530456214 /nfs/dbraw/zinc/45/62/14/530456214.db2.gz GTLPEDUGTPZSQM-LDYMZIIASA-N 0 3 375.244 0.714 20 0 GCADHN NS(=O)(=O)CCOCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000294298620 530458599 /nfs/dbraw/zinc/45/85/99/530458599.db2.gz UAYOCISXHOGAGN-CYBMUJFWSA-N 0 3 390.531 0.489 20 0 GCADHN CNc1cc(I)ccc1C(=O)N[C@@H](CO)CN(C)C ZINC000597653823 530459021 /nfs/dbraw/zinc/45/90/21/530459021.db2.gz NBRDUXJLSRNLLZ-SNVBAGLBSA-N 0 3 377.226 0.985 20 0 GCADHN COc1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1I ZINC000597652396 530459023 /nfs/dbraw/zinc/45/90/23/530459023.db2.gz ATRZWSHKQXMWPO-SNVBAGLBSA-N 0 3 378.210 0.952 20 0 GCADHN CN1CCN(CC2CN(C(=O)c3cc(I)c[nH]3)C2)CC1 ZINC000597693969 530459313 /nfs/dbraw/zinc/45/93/13/530459313.db2.gz HLSQAZSZSQZKIP-UHFFFAOYSA-N 0 3 388.253 0.939 20 0 GCADHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1nc2ncc(Br)cn2n1 ZINC000294703587 530459932 /nfs/dbraw/zinc/45/99/32/530459932.db2.gz REEKRTKFLAVQCW-MWLCHTKSSA-N 0 3 383.250 0.414 20 0 GCADHN O=S1(=O)CC[C@@](O)(CNCc2ccc(I)cc2)C1 ZINC000294878846 530460356 /nfs/dbraw/zinc/46/03/56/530460356.db2.gz VIQSZQODOPHQHQ-GFCCVEGCSA-N 0 3 381.235 0.930 20 0 GCADHN Cc1csc(=O)n1CCN(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295147612 530461393 /nfs/dbraw/zinc/46/13/93/530461393.db2.gz CUJPENPSPJNPFW-UHFFFAOYSA-N 0 3 384.527 0.934 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000598097818 530462027 /nfs/dbraw/zinc/46/20/27/530462027.db2.gz TWBSTLGDGZPTFH-UHFFFAOYSA-N 0 3 378.539 0.503 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(Br)cn1 ZINC000365195665 530465525 /nfs/dbraw/zinc/46/55/25/530465525.db2.gz FOBARLMHWGRVRI-VXGBXAGGSA-N 0 3 383.246 0.762 20 0 GCADHN COC(=O)[C@@H]1CN(c2nc(N)nc(N)n2)C[C@H]1c1ccc(Br)cc1 ZINC000599092633 530466032 /nfs/dbraw/zinc/46/60/32/530466032.db2.gz ZULUMBKFUMGWCS-WDEREUQCSA-N 0 3 393.245 0.852 20 0 GCADHN CCN1CCN(CCNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000298450802 530480924 /nfs/dbraw/zinc/48/09/24/530480924.db2.gz JVVWQAVUVPIFAG-UHFFFAOYSA-N 0 3 388.559 0.207 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nc2ccccc2s1 ZINC000298686998 530482689 /nfs/dbraw/zinc/48/26/89/530482689.db2.gz LYOYZHDDPPEOFJ-ZJUUUORDSA-N 0 3 388.492 0.762 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000298822331 530483775 /nfs/dbraw/zinc/48/37/75/530483775.db2.gz TYZSUVAYIAGDII-LLVKDONJSA-N 0 3 394.902 0.606 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CCN2C1=O ZINC000602528615 530483902 /nfs/dbraw/zinc/48/39/02/530483902.db2.gz RYLHVMZMMNZRLS-PWSUYJOCSA-N 0 3 390.241 0.776 20 0 GCADHN C[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)CN1CCCC1 ZINC000298834155 530484203 /nfs/dbraw/zinc/48/42/03/530484203.db2.gz YACGUXUURZQCJH-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN O=S1(=O)CC[C@](O)(CNCc2ccc(I)s2)C1 ZINC000602674364 530484836 /nfs/dbraw/zinc/48/48/36/530484836.db2.gz OYZICOVWLYJIRU-JTQLQIEISA-N 0 3 387.264 0.992 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599459533 530472594 /nfs/dbraw/zinc/47/25/94/530472594.db2.gz FYHHEGVIHPBYTJ-RTXFEEFZSA-N 0 3 391.408 0.513 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)NCCNS(=O)(=O)N(C)C)c1ccsc1 ZINC000297701694 530475630 /nfs/dbraw/zinc/47/56/30/530475630.db2.gz XNZROUWKQAQRMU-AWEZNQCLSA-N 0 3 391.563 0.826 20 0 GCADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000366773735 530501132 /nfs/dbraw/zinc/50/11/32/530501132.db2.gz IESNDYPRFRTNPC-CABCVRRESA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)CCO ZINC000298966977 530485721 /nfs/dbraw/zinc/48/57/21/530485721.db2.gz FULXCGABEHKYAP-UHFFFAOYSA-N 0 3 386.290 0.790 20 0 GCADHN CC(C)(O)CN1CCC(NC[C@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000638774270 530500855 /nfs/dbraw/zinc/50/08/55/530500855.db2.gz ZPEBTPSZOVCSEE-AWEZNQCLSA-N 0 3 376.544 0.708 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000299297162 530489341 /nfs/dbraw/zinc/48/93/41/530489341.db2.gz RUIXFLCKRFBUGD-SECBINFHSA-N 0 3 376.276 0.921 20 0 GCADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000627378417 530489414 /nfs/dbraw/zinc/48/94/14/530489414.db2.gz LLMTYUQVMFYYSB-CYBMUJFWSA-N 0 3 383.290 0.951 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000299334171 530489586 /nfs/dbraw/zinc/48/95/86/530489586.db2.gz CKMBGCJCZDVKSV-AWEZNQCLSA-N 0 3 387.527 0.844 20 0 GCADHN COC(=O)C1(CS(=O)(=O)NCCCN2CCCN(C)CC2)CCCC1 ZINC000603404054 530489798 /nfs/dbraw/zinc/48/97/98/530489798.db2.gz RUVUGFSYNKIHSK-UHFFFAOYSA-N 0 3 375.535 0.667 20 0 GCADHN COCCNc1nnc(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)s1 ZINC000299388944 530490101 /nfs/dbraw/zinc/49/01/01/530490101.db2.gz CVBKDLOBLUCIJM-ZCFIWIBFSA-N 0 3 376.382 0.437 20 0 GCADHN COCCN(C)CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000299546779 530491457 /nfs/dbraw/zinc/49/14/57/530491457.db2.gz XVLRJZGLAWEBNJ-AWEZNQCLSA-N 0 3 389.543 0.986 20 0 GCADHN [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)C[N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000563114097 530493955 /nfs/dbraw/zinc/49/39/55/530493955.db2.gz ZIDBCMALYRWZIP-KBPBESRZSA-N 0 3 387.527 0.771 20 0 GCADHN CC(C(=O)N(CCO)CCOCC(F)(F)F)S(=O)(=O)C1CCOCC1 ZINC000534517226 530494430 /nfs/dbraw/zinc/49/44/30/530494430.db2.gz BFYHIPCWWKIICI-NSHDSACASA-N 0 3 391.408 0.369 20 0 GCADHN O=C(NCCNc1ccncc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000534523491 530494570 /nfs/dbraw/zinc/49/45/70/530494570.db2.gz VQQZWGZCXFRERF-CQSZACIVSA-N 0 3 380.495 0.946 20 0 GCADHN CN1CCCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000623073476 530495041 /nfs/dbraw/zinc/49/50/41/530495041.db2.gz RDGQITYYKWWGCH-UHFFFAOYSA-N 0 3 390.303 0.892 20 0 GCADHN CCN(C)C(=O)[C@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000531950967 530495650 /nfs/dbraw/zinc/49/56/50/530495650.db2.gz PGARGFBBOCXZRQ-WCQYABFASA-N 0 3 378.516 0.349 20 0 GCADHN COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)N[C@H](C)CN ZINC000415602637 530503402 /nfs/dbraw/zinc/50/34/02/530503402.db2.gz SBYHAJMWQZIRPU-SSDOTTSWSA-N 0 3 388.218 0.646 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000415602009 530503554 /nfs/dbraw/zinc/50/35/54/530503554.db2.gz QNSLGKZLNFFCIG-RXMQYKEDSA-N 0 3 383.136 0.971 20 0 GCADHN COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415857505 530504938 /nfs/dbraw/zinc/50/49/38/530504938.db2.gz CTVFZKCBSXLFMY-SNVBAGLBSA-N 0 3 386.246 0.809 20 0 GCADHN CCOc1ccc(NC(=O)C(=O)NC[C@H]2CNCCO2)cc1Br ZINC000415872011 530505303 /nfs/dbraw/zinc/50/53/03/530505303.db2.gz VZFRRIUFTOLAKJ-LLVKDONJSA-N 0 3 386.246 0.891 20 0 GCADHN CNS(=O)(=O)C1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000365498941 530505325 /nfs/dbraw/zinc/50/53/25/530505325.db2.gz SETCDDRRRCIURT-AWEZNQCLSA-N 0 3 376.523 0.211 20 0 GCADHN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415864519 530505380 /nfs/dbraw/zinc/50/53/80/530505380.db2.gz MJLLPEOGXOBAIV-VIFPVBQESA-N 0 3 383.861 0.845 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415873829 530505404 /nfs/dbraw/zinc/50/54/04/530505404.db2.gz ZBGIIILEOPDGHH-NSHDSACASA-N 0 3 386.221 0.582 20 0 GCADHN CO[C@@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@H](CN)C1 ZINC000440842022 530505556 /nfs/dbraw/zinc/50/55/56/530505556.db2.gz DCQFXHPFSZUNPU-WDEREUQCSA-N 0 3 380.463 0.356 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCN(C)C2)c1 ZINC000416494225 530510893 /nfs/dbraw/zinc/51/08/93/530510893.db2.gz HWQRBSVCTRMDFP-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN O=C([C@H]1C[C@H](F)CN1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000188237160 530510974 /nfs/dbraw/zinc/51/09/74/530510974.db2.gz HCKJRYLQRPHZNL-VHSXEESVSA-N 0 3 381.882 0.934 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCN(C)C2)c(C(=O)OC)s1 ZINC000416497802 530511405 /nfs/dbraw/zinc/51/14/05/530511405.db2.gz UQJQHCLDBQPQIO-SECBINFHSA-N 0 3 376.456 0.551 20 0 GCADHN CN(C)CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000416510553 530511463 /nfs/dbraw/zinc/51/14/63/530511463.db2.gz UXHVGYSTWOIOET-UHFFFAOYSA-N 0 3 384.424 0.936 20 0 GCADHN C[C@H]1C[C@@H]([NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000638934692 530502060 /nfs/dbraw/zinc/50/20/60/530502060.db2.gz ANVZGJMFZHOQSO-JGVFFNPUSA-N 0 3 382.305 0.737 20 0 GCADHN CN1CCC[C@H](N2CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000365326358 530502106 /nfs/dbraw/zinc/50/21/06/530502106.db2.gz KNNRJYSHWQDJLS-LSDHHAIUSA-N 0 3 375.560 0.145 20 0 GCADHN O=C(Nc1cc(Br)cnc1-n1cccn1)C(=O)N1CCCNCC1 ZINC000415318525 530502573 /nfs/dbraw/zinc/50/25/73/530502573.db2.gz MSNICNBIJLDTMS-UHFFFAOYSA-N 0 3 393.245 0.790 20 0 GCADHN COC(=O)C1CCN(S(=O)(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)CC1 ZINC000408320888 530502877 /nfs/dbraw/zinc/50/28/77/530502877.db2.gz MMCCLTCJWGACIC-GJZGRUSLSA-N 0 3 391.559 0.628 20 0 GCADHN CN1CCC[C@H](CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000416551258 530512554 /nfs/dbraw/zinc/51/25/54/530512554.db2.gz GOTGOXHEKGWUME-OAHLLOKOSA-N 0 3 389.543 0.616 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)s1 ZINC000330661314 530522902 /nfs/dbraw/zinc/52/29/02/530522902.db2.gz CAYHYSBLNZXIKQ-LBPRGKRZSA-N 0 3 376.504 0.473 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)c1 ZINC000416559408 530512962 /nfs/dbraw/zinc/51/29/62/530512962.db2.gz JVGMBOXUNMIZCK-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000332932993 530515401 /nfs/dbraw/zinc/51/54/01/530515401.db2.gz UJQKVZHCCUCPSL-JSGCOSHPSA-N 0 3 376.548 0.147 20 0 GCADHN O=C(NCCNC(=O)c1ccc(Br)cc1)NC[C@H]1CNCCO1 ZINC000417206442 530515746 /nfs/dbraw/zinc/51/57/46/530515746.db2.gz KLJNPZZROXNWKY-CYBMUJFWSA-N 0 3 385.262 0.467 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000330614990 530523041 /nfs/dbraw/zinc/52/30/41/530523041.db2.gz UBGAJJKKFJLRTR-HOTGVXAUSA-N 0 3 389.543 0.887 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(Br)co2)CC1=O ZINC000425317965 530517007 /nfs/dbraw/zinc/51/70/07/530517007.db2.gz NUOVHAVEBVZMHI-LBPRGKRZSA-N 0 3 388.262 0.951 20 0 GCADHN CC[C@H](N)C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000157718769 530518126 /nfs/dbraw/zinc/51/81/26/530518126.db2.gz IHHULLCWWDYBDL-PWSUYJOCSA-N 0 3 378.210 0.884 20 0 GCADHN C[NH2+]C[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000237087167 530519166 /nfs/dbraw/zinc/51/91/66/530519166.db2.gz RNSVYIVNCUDXHL-VIFPVBQESA-N 0 3 396.332 0.999 20 0 GCADHN COCCNCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000237302381 530519653 /nfs/dbraw/zinc/51/96/53/530519653.db2.gz PHZGHEATIFAQOM-VIFPVBQESA-N 0 3 378.292 0.981 20 0 GCADHN [NH3+]C[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000237947684 530520069 /nfs/dbraw/zinc/52/00/69/530520069.db2.gz HSRUYEFZOYDZEZ-QMMMGPOBSA-N 0 3 382.305 0.739 20 0 GCADHN CCOC(=O)CCCS(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000531534812 530521254 /nfs/dbraw/zinc/52/12/54/530521254.db2.gz VZNREOLRDDVWAW-UHFFFAOYSA-N 0 3 377.507 0.049 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)c3csc(S(N)(=O)=O)c3)C2)CC1 ZINC000531577971 530521345 /nfs/dbraw/zinc/52/13/45/530521345.db2.gz FDZAAHOQNGVSEY-AWEZNQCLSA-N 0 3 386.543 0.636 20 0 GCADHN CN(CCN1CC[NH2+]CC1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000647776524 530522380 /nfs/dbraw/zinc/52/23/80/530522380.db2.gz JMTJBKNYDPHDSW-UHFFFAOYSA-N 0 3 380.923 0.043 20 0 GCADHN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CCN1C ZINC000444655892 530547069 /nfs/dbraw/zinc/54/70/69/530547069.db2.gz BRWDCBLDFHSEFX-GXSJLCMTSA-N 0 3 385.262 0.685 20 0 GCADHN COCCN(C(=O)CN[C@@H]1CC(C)(C)OC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000444648325 530547148 /nfs/dbraw/zinc/54/71/48/530547148.db2.gz XYXZIWQRHQEWGN-ZIAGYGMSSA-N 0 3 376.519 0.584 20 0 GCADHN CC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000567788317 530548162 /nfs/dbraw/zinc/54/81/62/530548162.db2.gz LDAVNVVLTSFRQK-NSHDSACASA-N 0 3 375.472 0.105 20 0 GCADHN CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000567884816 530549873 /nfs/dbraw/zinc/54/98/73/530549873.db2.gz NDZFBVFRPQHFHJ-DGCLKSJQSA-N 0 3 375.491 0.785 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000330691147 530523622 /nfs/dbraw/zinc/52/36/22/530523622.db2.gz YWHAIFQWGZZGFS-INIZCTEOSA-N 0 3 376.567 0.690 20 0 GCADHN CC[C@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N(CC)CC ZINC000330771147 530524628 /nfs/dbraw/zinc/52/46/28/530524628.db2.gz VBFJOHIEXDXFBU-JKSUJKDBSA-N 0 3 375.535 0.760 20 0 GCADHN O=C(NCCCNC(=O)c1cccc(Br)c1)NC[C@@H]1CNCCO1 ZINC000417435304 530549972 /nfs/dbraw/zinc/54/99/72/530549972.db2.gz NBDLOGSLUAGVRF-AWEZNQCLSA-N 0 3 399.289 0.857 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000563439410 530526181 /nfs/dbraw/zinc/52/61/81/530526181.db2.gz GDPNBILQFWNTRH-SKDRFNHKSA-N 0 3 379.360 0.518 20 0 GCADHN Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000563443968 530526485 /nfs/dbraw/zinc/52/64/85/530526485.db2.gz ZPLRLTHWRFFBBJ-DGCLKSJQSA-N 0 3 388.287 0.690 20 0 GCADHN CSc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Cl ZINC000563443786 530526495 /nfs/dbraw/zinc/52/64/95/530526495.db2.gz YWLFXAYCFISAKJ-CABZTGNLSA-N 0 3 375.903 0.994 20 0 GCADHN O=C(NC1CNC1)C(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000563609630 530527188 /nfs/dbraw/zinc/52/71/88/530527188.db2.gz CHSUFAIDYJPCCL-GFCCVEGCSA-N 0 3 385.251 0.693 20 0 GCADHN CC[C@@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H](C)O ZINC000567877532 530550046 /nfs/dbraw/zinc/55/00/46/530550046.db2.gz PTASQJWHZDGPKO-QWHCGFSZSA-N 0 3 378.516 0.460 20 0 GCADHN NS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000408441426 530527736 /nfs/dbraw/zinc/52/77/36/530527736.db2.gz DURNPTGJGQBDAI-CYBMUJFWSA-N 0 3 376.548 0.420 20 0 GCADHN CSC1(CNS(=O)(=O)c2ccc(-n3cnnn3)cc2)CCN(C)CC1 ZINC000571127897 530528092 /nfs/dbraw/zinc/52/80/92/530528092.db2.gz BRTRNZFLKZZGLG-UHFFFAOYSA-N 0 3 382.515 0.768 20 0 GCADHN N[C@@H]1C[C@@H]2CN(Cc3cc(Br)c4c(c3)OCCO4)CCN2C1=O ZINC000566490794 530530663 /nfs/dbraw/zinc/53/06/63/530530663.db2.gz JYMLHOUUQDZXLB-DGCLKSJQSA-N 0 3 382.258 0.964 20 0 GCADHN O=C(NCCCNC(=O)c1cccc(Br)c1)NC[C@H]1CNCCO1 ZINC000417435305 530550260 /nfs/dbraw/zinc/55/02/60/530550260.db2.gz NBDLOGSLUAGVRF-CQSZACIVSA-N 0 3 399.289 0.857 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)CCN2C1=O ZINC000566504395 530531321 /nfs/dbraw/zinc/53/13/21/530531321.db2.gz CNKBIZYLCJDJQY-BXKDBHETSA-N 0 3 399.220 0.297 20 0 GCADHN C[C@](N)(C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(Br)cc1 ZINC000566497022 530531583 /nfs/dbraw/zinc/53/15/83/530531583.db2.gz WMSBYQAQGPSIQV-WOSRLPQWSA-N 0 3 381.274 0.393 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)CCN2C1=O ZINC000566504396 530531637 /nfs/dbraw/zinc/53/16/37/530531637.db2.gz CNKBIZYLCJDJQY-CABZTGNLSA-N 0 3 399.220 0.297 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cs1 ZINC000443291109 530531830 /nfs/dbraw/zinc/53/18/30/530531830.db2.gz RDBJYJWBZAIYFE-LBPRGKRZSA-N 0 3 376.500 0.906 20 0 GCADHN CN(CC(=O)N1CCN(C)C[C@@H]1CN)C(=O)c1ccc(Br)s1 ZINC000566618864 530532724 /nfs/dbraw/zinc/53/27/24/530532724.db2.gz LJYCSYDDJABNFJ-JTQLQIEISA-N 0 3 389.319 0.684 20 0 GCADHN COC(=O)c1sccc1S(=O)(=O)[N-]CCN1CCC([NH+](C)C)CC1 ZINC000443345038 530533432 /nfs/dbraw/zinc/53/34/32/530533432.db2.gz JOVZAQRSYGYRIW-UHFFFAOYSA-N 0 3 375.516 0.839 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H](C)C[C@@H]1[C@@H](C)O)S(C)(=O)=O ZINC000443332732 530533528 /nfs/dbraw/zinc/53/35/28/530533528.db2.gz YHCKWKCDZIVVFD-BZUAXINKSA-N 0 3 377.551 0.644 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000566786924 530534064 /nfs/dbraw/zinc/53/40/64/530534064.db2.gz GMLKQWKODHZFSU-HZSPNIEDSA-N 0 3 382.258 0.526 20 0 GCADHN COCCN(CCOC)S(=O)(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000445750142 530550438 /nfs/dbraw/zinc/55/04/38/530550438.db2.gz ISOBMMNIRYRNLD-CABCVRRESA-N 0 3 381.564 0.338 20 0 GCADHN C[N@H+](C[C@H](O)CNCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000566968892 530536019 /nfs/dbraw/zinc/53/60/19/530536019.db2.gz LEDFBVCSNRCBGY-CYBMUJFWSA-N 0 3 379.885 0.802 20 0 GCADHN C[N@@H+](C[C@H](O)CNCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000566968892 530536022 /nfs/dbraw/zinc/53/60/22/530536022.db2.gz LEDFBVCSNRCBGY-CYBMUJFWSA-N 0 3 379.885 0.802 20 0 GCADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000443687955 530537438 /nfs/dbraw/zinc/53/74/38/530537438.db2.gz YPJRQWVYSMGHJU-AWEZNQCLSA-N 0 3 392.200 0.849 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000443770938 530538652 /nfs/dbraw/zinc/53/86/52/530538652.db2.gz JXDWPFNVPQVISY-SNVBAGLBSA-N 0 3 375.882 0.183 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCNS(=O)(=O)c1ccccc1 ZINC000331146107 530539278 /nfs/dbraw/zinc/53/92/78/530539278.db2.gz AGHPCSRPZAAXIE-HUUCEWRRSA-N 0 3 375.516 0.415 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCc2ccccc2C1 ZINC000567292676 530540732 /nfs/dbraw/zinc/54/07/32/530540732.db2.gz XNPMNMLDSBGZAC-DAXOMENPSA-N 0 3 385.507 0.651 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000331207713 530541671 /nfs/dbraw/zinc/54/16/71/530541671.db2.gz FJBUJYRGAPAKMM-HZPDHXFCSA-N 0 3 389.543 0.887 20 0 GCADHN CCS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000331210687 530541867 /nfs/dbraw/zinc/54/18/67/530541867.db2.gz XXEKTCLVNOIBLO-UHFFFAOYSA-N 0 3 389.543 0.841 20 0 GCADHN Cc1cnc(NCCN2CCSCC2)nc1NCCN1CCSCC1 ZINC000444081392 530541959 /nfs/dbraw/zinc/54/19/59/530541959.db2.gz LDXMNVOVZVRCDR-UHFFFAOYSA-N 0 3 382.603 0.550 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000444202075 530544069 /nfs/dbraw/zinc/54/40/69/530544069.db2.gz ZJFUDJPHNAXVHI-UHFFFAOYSA-N 0 3 390.531 0.576 20 0 GCADHN COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CCCN1CC[NH2+]CC1 ZINC000567987284 530551522 /nfs/dbraw/zinc/55/15/22/530551522.db2.gz ZGMGIJXOAFIODR-UHFFFAOYSA-N 0 3 375.878 0.700 20 0 GCADHN CS[C@H]1CN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@@H]1N(C)C ZINC000425414454 530552155 /nfs/dbraw/zinc/55/21/55/530552155.db2.gz CXAXXISVQLJDJY-HOTGVXAUSA-N 0 3 385.555 0.684 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000451503816 530582961 /nfs/dbraw/zinc/58/29/61/530582961.db2.gz RNYKJXHLQJKUSE-IUCAKERBSA-N 0 3 381.394 0.319 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000446617468 530554191 /nfs/dbraw/zinc/55/41/91/530554191.db2.gz MKPUNLCOWDSXJB-UHFFFAOYSA-N 0 3 376.523 0.164 20 0 GCADHN CN1CCN(CCCCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000568194682 530554334 /nfs/dbraw/zinc/55/43/34/530554334.db2.gz PIEDIBJTVQQMPC-UHFFFAOYSA-N 0 3 388.921 0.745 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000446730779 530554830 /nfs/dbraw/zinc/55/48/30/530554830.db2.gz ZVKSLWCATPGUDU-NWDGAFQWSA-N 0 3 394.540 0.790 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cn(C)nc2C(F)(F)F)CCSC1 ZINC000446673702 530554937 /nfs/dbraw/zinc/55/49/37/530554937.db2.gz ZOIOKKITJUTNSR-CYBMUJFWSA-N 0 3 379.408 0.931 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000673521037 530556834 /nfs/dbraw/zinc/55/68/34/530556834.db2.gz OCTRKFJZGXDUKS-NSHDSACASA-N 0 3 390.253 0.747 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000568265803 530557189 /nfs/dbraw/zinc/55/71/89/530557189.db2.gz OQTRDAXNHQEYQY-PHIMTYICSA-N 0 3 377.388 0.662 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC000447200924 530558992 /nfs/dbraw/zinc/55/89/92/530558992.db2.gz RGPLWLNCKWHAIN-KBPBESRZSA-N 0 3 383.580 0.602 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(OC)c1 ZINC000447245831 530559502 /nfs/dbraw/zinc/55/95/02/530559502.db2.gz GDYDIUODTUPHNP-ZYHUDNBSSA-N 0 3 377.488 0.425 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)c(OC)c1 ZINC000447245828 530559638 /nfs/dbraw/zinc/55/96/38/530559638.db2.gz GDYDIUODTUPHNP-CMPLNLGQSA-N 0 3 377.488 0.425 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000447254624 530560161 /nfs/dbraw/zinc/56/01/61/530560161.db2.gz CCNZWQJYFWNDPE-WDEREUQCSA-N 0 3 379.479 0.945 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)CN(C)C(C)C ZINC000563777385 530560393 /nfs/dbraw/zinc/56/03/93/530560393.db2.gz PVWQAOHUMLCOKZ-ZDUSSCGKSA-N 0 3 377.532 0.992 20 0 GCADHN CCCCN1CCCC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447758675 530562862 /nfs/dbraw/zinc/56/28/62/530562862.db2.gz MSJFSTVDHOFNEM-HNNXBMFYSA-N 0 3 383.580 0.842 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000451530515 530583340 /nfs/dbraw/zinc/58/33/40/530583340.db2.gz GVJCSCIESUIESX-AEJSXWLSSA-N 0 3 393.405 0.319 20 0 GCADHN C[C@@H](O)C[C@H](C)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000568983468 530565297 /nfs/dbraw/zinc/56/52/97/530565297.db2.gz KCMOUULZMREIRO-QWHCGFSZSA-N 0 3 378.516 0.460 20 0 GCADHN COc1ccc(Br)cc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569021932 530565929 /nfs/dbraw/zinc/56/59/29/530565929.db2.gz NWHUOGYHVARXQE-OLZOCXBDSA-N 0 3 397.273 0.911 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449287307 530566971 /nfs/dbraw/zinc/56/69/71/530566971.db2.gz WDABGLUDXVBZSU-CYBMUJFWSA-N 0 3 377.532 0.616 20 0 GCADHN COC(=O)COC[C@@H](C)[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000449306014 530566986 /nfs/dbraw/zinc/56/69/86/530566986.db2.gz VGGREXODVIOETD-SNVBAGLBSA-N 0 3 382.841 0.925 20 0 GCADHN O=S(=O)(NC[C@@H]1CCCN(C[C@@H](O)COC[C@@H]2CCCO2)C1)C1CC1 ZINC000518828509 530568052 /nfs/dbraw/zinc/56/80/52/530568052.db2.gz LQGBRUJUBQMNSW-XHSDSOJGSA-N 0 3 376.519 0.337 20 0 GCADHN CCN1CCC[C@@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O ZINC000450215543 530568197 /nfs/dbraw/zinc/56/81/97/530568197.db2.gz KRNQTTDAVCKGOW-GFCCVEGCSA-N 0 3 390.531 0.481 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)C[C@@H]1N(C)C ZINC000450267410 530568422 /nfs/dbraw/zinc/56/84/22/530568422.db2.gz WWIGIBHFEHSSMP-CMPLNLGQSA-N 0 3 382.511 0.416 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000569221611 530568516 /nfs/dbraw/zinc/56/85/16/530568516.db2.gz GBBKBYHBTOBYJE-GHMZBOCLSA-N 0 3 379.479 0.993 20 0 GCADHN NS(=O)(=O)c1cc(Br)cnc1NC[C@H]1CCCN1CCCO ZINC000450599837 530569062 /nfs/dbraw/zinc/56/90/62/530569062.db2.gz UFZIOPORTGSOJZ-LLVKDONJSA-N 0 3 393.307 0.750 20 0 GCADHN Cc1nc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)sc1Br ZINC000572663854 530569990 /nfs/dbraw/zinc/56/99/90/530569990.db2.gz YLYAMDRAILSROZ-BDAKNGLRSA-N 0 3 388.291 0.667 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)CCN2C1=O ZINC000572618379 530570375 /nfs/dbraw/zinc/57/03/75/530570375.db2.gz WZPDMSJNXUOZED-AAEUAGOBSA-N 0 3 382.251 0.954 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1Cl ZINC000572734079 530570728 /nfs/dbraw/zinc/57/07/28/530570728.db2.gz UZCGDIMNTUZYKF-LBPRGKRZSA-N 0 3 375.878 0.564 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000572982962 530573563 /nfs/dbraw/zinc/57/35/63/530573563.db2.gz CNPVYMXWGQGETO-UHFFFAOYSA-N 0 3 376.504 0.284 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000572982962 530573566 /nfs/dbraw/zinc/57/35/66/530573566.db2.gz CNPVYMXWGQGETO-UHFFFAOYSA-N 0 3 376.504 0.284 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000451169964 530574116 /nfs/dbraw/zinc/57/41/16/530574116.db2.gz NUMWASAEAZHGPC-DTWKUNHWSA-N 0 3 377.337 0.074 20 0 GCADHN CCN(CC)CCN(C(=O)C[C@@H]1CSCCN1)[C@H]1CCS(=O)(=O)C1 ZINC000573121950 530575463 /nfs/dbraw/zinc/57/54/63/530575463.db2.gz SJEBWGNRNHVJGW-CABCVRRESA-N 0 3 377.576 0.439 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000451280216 530576532 /nfs/dbraw/zinc/57/65/32/530576532.db2.gz GIQMADAHMPERRR-ZWNOBZJWSA-N 0 3 386.392 0.802 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)CCN2C1=O ZINC000573221443 530577003 /nfs/dbraw/zinc/57/70/03/530577003.db2.gz CZKCMJUWYHGXLX-HQJQHLMTSA-N 0 3 389.214 0.841 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCOc2cccc(Cl)c2Cl)[C@H](CN)C1 ZINC000573226227 530577078 /nfs/dbraw/zinc/57/70/78/530577078.db2.gz HBWJBSFVXMZAKA-LLVKDONJSA-N 0 3 389.283 0.590 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)C[C@@H]1O ZINC000573218703 530577170 /nfs/dbraw/zinc/57/71/70/530577170.db2.gz MUAHFHFRJVEGPH-STQMWFEESA-N 0 3 384.234 0.429 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(O)(COC)CC1 ZINC000451343935 530577878 /nfs/dbraw/zinc/57/78/78/530577878.db2.gz AILPNFHXESWECS-SNVBAGLBSA-N 0 3 377.381 0.674 20 0 GCADHN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000327754626 530578194 /nfs/dbraw/zinc/57/81/94/530578194.db2.gz HBSXUDYKNNGZBF-HOTGVXAUSA-N 0 3 375.535 0.616 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(O)(C(=O)OC)CC1 ZINC000451376494 530578908 /nfs/dbraw/zinc/57/89/08/530578908.db2.gz WZRPDUCIMKULRM-SECBINFHSA-N 0 3 391.364 0.200 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(Br)c[nH]2)CC1=O ZINC000573346904 530578976 /nfs/dbraw/zinc/57/89/76/530578976.db2.gz CNOMNMAZONEVMA-GFCCVEGCSA-N 0 3 387.278 0.686 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(O)(C(=O)OC)CC1 ZINC000451376495 530579124 /nfs/dbraw/zinc/57/91/24/530579124.db2.gz WZRPDUCIMKULRM-VIFPVBQESA-N 0 3 391.364 0.200 20 0 GCADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000583534695 530579405 /nfs/dbraw/zinc/57/94/05/530579405.db2.gz AFFHHDRBXQOBPZ-AWEZNQCLSA-N 0 3 393.575 0.923 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCCC(C)(C)CO ZINC000573445845 530580315 /nfs/dbraw/zinc/58/03/15/530580315.db2.gz 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COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(C)(C)N)CC2)c1 ZINC000574273955 530588949 /nfs/dbraw/zinc/58/89/49/530588949.db2.gz WVOAFRVWXKCBOM-UHFFFAOYSA-N 0 3 375.472 0.105 20 0 GCADHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000574276821 530589010 /nfs/dbraw/zinc/58/90/10/530589010.db2.gz LESHGZIDZQUKGD-MRVPVSSYSA-N 0 3 385.305 0.868 20 0 GCADHN N[C@@H]1C[C@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)CCN2C1=O ZINC000574339852 530590325 /nfs/dbraw/zinc/59/03/25/530590325.db2.gz ORVBTAXRFBOAHN-CMPLNLGQSA-N 0 3 397.302 0.899 20 0 GCADHN CCCNC(=O)NC(=O)CN(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000574363533 530590523 /nfs/dbraw/zinc/59/05/23/530590523.db2.gz ZSZLXYXRLVLXRQ-ZDUSSCGKSA-N 0 3 376.523 0.604 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)N(CCOC)CCN(C)C)CC1 ZINC000519207947 530590599 /nfs/dbraw/zinc/59/05/99/530590599.db2.gz KQIBXYMAQZQEOG-UHFFFAOYSA-N 0 3 378.539 0.410 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)CNC3CC3)CC2)c1 ZINC000574443469 530591218 /nfs/dbraw/zinc/59/12/18/530591218.db2.gz 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ZINC000527385950 530599282 /nfs/dbraw/zinc/59/92/82/530599282.db2.gz QRFJTGPULQKRCN-ZDUSSCGKSA-N 0 3 388.559 0.689 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452376343 530603340 /nfs/dbraw/zinc/60/33/40/530603340.db2.gz OFFGHVWJWTZYNY-JKSUJKDBSA-N 0 3 375.535 0.544 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)c1nc2ncc(Br)cn2n1 ZINC000452352390 530603488 /nfs/dbraw/zinc/60/34/88/530603488.db2.gz SBLHCMZMZCSVLN-NSHDSACASA-N 0 3 383.250 0.463 20 0 GCADHN CC(C(=O)N1CSC[C@H]1C(=O)N(C)C1CC1)S(=O)(=O)C1CCOCC1 ZINC000532211051 530603719 /nfs/dbraw/zinc/60/37/19/530603719.db2.gz FUGCNNCGHREQRX-FZMZJTMJSA-N 0 3 390.527 0.491 20 0 GCADHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000520193529 530605212 /nfs/dbraw/zinc/60/52/12/530605212.db2.gz UGYXKMMMPJLOPO-ZDUSSCGKSA-N 0 3 377.532 0.946 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452567835 530605251 /nfs/dbraw/zinc/60/52/51/530605251.db2.gz FURDFKLQPLPIHN-HIFRSBDPSA-N 0 3 377.576 0.990 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452787408 530606606 /nfs/dbraw/zinc/60/66/06/530606606.db2.gz ZTFRCUHIDDUPTL-JKSUJKDBSA-N 0 3 375.535 0.544 20 0 GCADHN Cc1cc(Br)ccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576411824 530608649 /nfs/dbraw/zinc/60/86/49/530608649.db2.gz UMUABPKZXRNZAW-NWDGAFQWSA-N 0 3 388.287 0.690 20 0 GCADHN CCCN(CCC)S(=O)(=O)N1CCN(C[C@@H](O)CN(C)C2CC2)CC1 ZINC000576552586 530609676 /nfs/dbraw/zinc/60/96/76/530609676.db2.gz KKTCJRKSHDWMHL-KRWDZBQOSA-N 0 3 376.567 0.426 20 0 GCADHN Cn1cc(I)c(CNC(=O)NC[C@H]2CCCN2C)n1 ZINC000454628354 530611175 /nfs/dbraw/zinc/61/11/75/530611175.db2.gz IKLNDNDEXZHRFU-SECBINFHSA-N 0 3 377.230 0.918 20 0 GCADHN COc1cc(Cl)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Cl ZINC000576718628 530611950 /nfs/dbraw/zinc/61/19/50/530611950.db2.gz GAROTYIDWCLUMX-KWQFWETISA-N 0 3 394.280 0.935 20 0 GCADHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266239489 530612583 /nfs/dbraw/zinc/61/25/83/530612583.db2.gz VVBWGFRLFSOBEX-BBRMVZONSA-N 0 3 389.543 0.898 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)CCN1C ZINC000574072969 530586942 /nfs/dbraw/zinc/58/69/42/530586942.db2.gz DZSMQWGMSGTBGO-KFWWJZLASA-N 0 3 375.539 0.429 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)CCN1C ZINC000574072968 530586998 /nfs/dbraw/zinc/58/69/98/530586998.db2.gz DZSMQWGMSGTBGO-ILXRZTDVSA-N 0 3 375.539 0.429 20 0 GCADHN CC(C(=O)N1CCCCCC1)S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000574171243 530588024 /nfs/dbraw/zinc/58/80/24/530588024.db2.gz VDUFDEKPIQHHOR-SNVBAGLBSA-N 0 3 383.396 0.941 20 0 GCADHN COCCCN(C(=O)Cc1ccc(S(N)(=O)=O)s1)C1CCN(C)CC1 ZINC000577688548 530623611 /nfs/dbraw/zinc/62/36/11/530623611.db2.gz QJSBKLNPZSSVFC-UHFFFAOYSA-N 0 3 389.543 0.897 20 0 GCADHN COc1ccc(Br)c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000577734991 530623742 /nfs/dbraw/zinc/62/37/42/530623742.db2.gz RCEMEQBUWRFIPJ-JTQLQIEISA-N 0 3 378.292 0.721 20 0 GCADHN CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)CC1 ZINC000330038633 530624194 /nfs/dbraw/zinc/62/41/94/530624194.db2.gz FASBPOIBSLDYDE-INIZCTEOSA-N 0 3 393.575 0.548 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CCN2C1=O ZINC000577747031 530624413 /nfs/dbraw/zinc/62/44/13/530624413.db2.gz OUTZFAIYUVQGDU-JOYOIKCWSA-N 0 3 379.360 0.518 20 0 GCADHN CC(C)[C@@H](CNC(=O)NC[C@]1(O)CCS(=O)(=O)C1)N1CCC(C)CC1 ZINC000457672354 530624559 /nfs/dbraw/zinc/62/45/59/530624559.db2.gz BZZUBJQLQZBAFR-NVXWUHKLSA-N 0 3 375.535 0.592 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CCN2C1=O ZINC000577747032 530624555 /nfs/dbraw/zinc/62/45/55/530624555.db2.gz OUTZFAIYUVQGDU-SKDRFNHKSA-N 0 3 379.360 0.518 20 0 GCADHN CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000330058918 530624752 /nfs/dbraw/zinc/62/47/52/530624752.db2.gz ZVHRFOPYBIUSRE-OAHLLOKOSA-N 0 3 393.575 0.594 20 0 GCADHN CN1CCC2(CCCN2S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330063828 530625252 /nfs/dbraw/zinc/62/52/52/530625252.db2.gz BUOKGUQKPDWNBM-UHFFFAOYSA-N 0 3 393.575 0.548 20 0 GCADHN CN(C)C1(CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCCC1 ZINC000330062586 530625468 /nfs/dbraw/zinc/62/54/68/530625468.db2.gz PISGCPIUXDVEIP-UHFFFAOYSA-N 0 3 381.564 0.452 20 0 GCADHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330095372 530626476 /nfs/dbraw/zinc/62/64/76/530626476.db2.gz VIXWQEUCSQGDHW-ZFWWWQNUSA-N 0 3 379.548 0.156 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC000457919673 530627475 /nfs/dbraw/zinc/62/74/75/530627475.db2.gz DFJAYSFMMMXQHY-CKEIUWERSA-N 0 3 375.535 0.592 20 0 GCADHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330147488 530627655 /nfs/dbraw/zinc/62/76/55/530627655.db2.gz LTOXTBQZJNGMLR-MRXNPFEDSA-N 0 3 395.591 0.794 20 0 GCADHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCCOC2)ccn1 ZINC000348354774 530628310 /nfs/dbraw/zinc/62/83/10/530628310.db2.gz TZIUHSWTOVZWEQ-UHFFFAOYSA-N 0 3 392.503 0.289 20 0 GCADHN CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)cc[nH+]1 ZINC000348354774 530628312 /nfs/dbraw/zinc/62/83/12/530628312.db2.gz TZIUHSWTOVZWEQ-UHFFFAOYSA-N 0 3 392.503 0.289 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000461538609 530643758 /nfs/dbraw/zinc/64/37/58/530643758.db2.gz FOUBRIJDLLTEMK-HNNXBMFYSA-N 0 3 377.555 0.629 20 0 GCADHN C[NH+](C)CC(C)(C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000458728626 530633057 /nfs/dbraw/zinc/63/30/57/530633057.db2.gz MUJWDZGSVYYCAS-UHFFFAOYSA-N 0 3 378.445 0.883 20 0 GCADHN NC(=O)c1csc(CNC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000332307599 530644004 /nfs/dbraw/zinc/64/40/04/530644004.db2.gz RUVANLGHRMXNMD-UHFFFAOYSA-N 0 3 388.515 0.762 20 0 GCADHN CCN1C[C@@H](C)N(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H](C)C1 ZINC000459451165 530636835 /nfs/dbraw/zinc/63/68/35/530636835.db2.gz AVIABJXXHNVAKQ-IYBDPMFKSA-N 0 3 376.567 0.577 20 0 GCADHN CN(C)S(=O)(=O)NCCNCc1ccc(I)cc1 ZINC000459543393 530637006 /nfs/dbraw/zinc/63/70/06/530637006.db2.gz 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/nfs/dbraw/zinc/64/53/35/530645335.db2.gz VDYPBNVGQOGXJI-UHFFFAOYSA-N 0 3 388.209 0.755 20 0 GCADHN CS[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C[C@@H]1N1CCCC1 ZINC000332405357 530645911 /nfs/dbraw/zinc/64/59/11/530645911.db2.gz LRTKURBWBDPLBW-UONOGXRCSA-N 0 3 399.604 0.109 20 0 GCADHN C[C@@H]1CCCCN1CCCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000332637333 530650643 /nfs/dbraw/zinc/65/06/43/530650643.db2.gz YMEPDBYPSHMABO-OAHLLOKOSA-N 0 3 395.591 0.842 20 0 GCADHN CC1CCN(C[C@H](O)CNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000332628030 530650674 /nfs/dbraw/zinc/65/06/74/530650674.db2.gz QDEYFWJKIFQACK-CQSZACIVSA-N 0 3 386.290 0.820 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000332739262 530653102 /nfs/dbraw/zinc/65/31/02/530653102.db2.gz YAXFXZCUCHIUJI-QJPTWQEYSA-N 0 3 388.408 0.605 20 0 GCADHN CC(C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000333015645 530653946 /nfs/dbraw/zinc/65/39/46/530653946.db2.gz CAIJVECNIDIDCG-UONOGXRCSA-N 0 3 376.519 0.272 20 0 GCADHN COc1ccccc1[C@H](C)S(=O)(=O)C(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000463063497 530655541 /nfs/dbraw/zinc/65/55/41/530655541.db2.gz GYLODJYOILKJNV-RWMBFGLXSA-N 0 3 389.495 0.863 20 0 GCADHN O=C1NC(=O)[C@@]2(CCCN(C[C@H](O)COc3ccc(Br)cc3)C2)N1 ZINC000333197636 530656529 /nfs/dbraw/zinc/65/65/29/530656529.db2.gz XVPYHXMSUKFGAX-LRDDRELGSA-N 0 3 398.257 0.863 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333294327 530656797 /nfs/dbraw/zinc/65/67/97/530656797.db2.gz KZNJIKXXGDIHDV-BDAKNGLRSA-N 0 3 394.316 0.609 20 0 GCADHN CC(C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)S(=O)(=O)C1CCOCC1 ZINC000333503905 530659898 /nfs/dbraw/zinc/65/98/98/530659898.db2.gz OGQQKLKIXGULOK-KBPBESRZSA-N 0 3 376.519 0.272 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000333823595 530662829 /nfs/dbraw/zinc/66/28/29/530662829.db2.gz IBJGOPQEZVNNDX-UHFFFAOYSA-N 0 3 387.531 0.596 20 0 GCADHN CN1CCC[C@H](CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000532419757 530668152 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CC(C)C[C@H]1OCCC[C@H]1NCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639594183 530678116 /nfs/dbraw/zinc/67/81/16/530678116.db2.gz ZKOYBWYJVHVFKR-HZPDHXFCSA-N 0 3 375.535 0.710 20 0 GCADHN CC(C)C[C@]1(CO)CCCN1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639609236 530679594 /nfs/dbraw/zinc/67/95/94/530679594.db2.gz FYJDKDTWHJHMQD-KRWDZBQOSA-N 0 3 375.535 0.400 20 0 GCADHN CC(C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000469119564 530685844 /nfs/dbraw/zinc/68/58/44/530685844.db2.gz SNCLXUHIMANRQV-ZBEGNZNMSA-N 0 3 379.475 0.178 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000469276131 530687576 /nfs/dbraw/zinc/68/75/76/530687576.db2.gz JPJMCDALGZWEGJ-PMPSAXMXSA-N 0 3 375.535 0.664 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000470081044 530692582 /nfs/dbraw/zinc/69/25/82/530692582.db2.gz YTDVWDVWWHQPLM-CVEARBPZSA-N 0 3 375.535 0.665 20 0 GCADHN CC(C)[C@H](C(=O)NCCCN1CCCO[C@@H](C)C1)N1CCCS1(=O)=O ZINC000470103123 530692967 /nfs/dbraw/zinc/69/29/67/530692967.db2.gz YHAQORSDMFXEQY-JKSUJKDBSA-N 0 3 375.535 0.664 20 0 GCADHN O=S1(=O)CCC(O)(CN(CCN2CCOCC2)[C@H]2CCSC2)CC1 ZINC000639776214 530693408 /nfs/dbraw/zinc/69/34/08/530693408.db2.gz PEGASMPPVDJDJB-HNNXBMFYSA-N 0 3 378.560 0.066 20 0 GCADHN O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(S(=O)(=O)N2CCSCC2)c[n-]1 ZINC000368198552 530720534 /nfs/dbraw/zinc/72/05/34/530720534.db2.gz BFJLLURYLOWSOL-QWRGUYRKSA-N 0 3 376.479 0.182 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000470984968 530698282 /nfs/dbraw/zinc/69/82/82/530698282.db2.gz KPKNFEKKDQTFHC-CQSZACIVSA-N 0 3 376.251 0.591 20 0 GCADHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCCC2)ccn1 ZINC000349569888 530698704 /nfs/dbraw/zinc/69/87/04/530698704.db2.gz CHVLTAAVMWFENX-UHFFFAOYSA-N 0 3 376.504 0.705 20 0 GCADHN CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCC2)cc[nH+]1 ZINC000349569888 530698707 /nfs/dbraw/zinc/69/87/07/530698707.db2.gz CHVLTAAVMWFENX-UHFFFAOYSA-N 0 3 376.504 0.705 20 0 GCADHN O=C(CN1CCNCC1)NCc1cn(Cc2ncc(Cl)cc2Cl)nn1 ZINC000641053739 530699058 /nfs/dbraw/zinc/69/90/58/530699058.db2.gz NEOGYMGQLGFYML-UHFFFAOYSA-N 0 3 384.271 0.550 20 0 GCADHN O=S(=O)(NCc1cn(Cc2sccc2Cl)nn1)N1CCNCC1 ZINC000641056234 530699510 /nfs/dbraw/zinc/69/95/10/530699510.db2.gz ALFUOJMIGDGGLC-UHFFFAOYSA-N 0 3 376.895 0.281 20 0 GCADHN CN(C)CCOCCNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000471625836 530700388 /nfs/dbraw/zinc/70/03/88/530700388.db2.gz HPZZXDXDJWKONW-UHFFFAOYSA-N 0 3 398.934 0.741 20 0 GCADHN CN(C)CCOCCNS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000471641834 530700418 /nfs/dbraw/zinc/70/04/18/530700418.db2.gz HGWXBEBZGJYHEC-INIZCTEOSA-N 0 3 375.535 0.665 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCC(NCCS(C)(=O)=O)CC2)cc1 ZINC000361049996 530701919 /nfs/dbraw/zinc/70/19/19/530701919.db2.gz FFYQSZUFSMKDHF-UHFFFAOYSA-N 0 3 376.500 0.483 20 0 GCADHN O=C(CCN1CCCS1(=O)=O)NCC1(N2CCSCC2)CCCC1 ZINC000361634371 530703653 /nfs/dbraw/zinc/70/36/53/530703653.db2.gz CKIWITPGZHBAEZ-UHFFFAOYSA-N 0 3 375.560 0.890 20 0 GCADHN O=C(NCCNC(=O)[C@@H]1CN2CCN1CCC2)c1cccc(Br)c1 ZINC000362074730 530704937 /nfs/dbraw/zinc/70/49/37/530704937.db2.gz ATRNAZNEGZYJLK-HNNXBMFYSA-N 0 3 395.301 0.685 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472731803 530707609 /nfs/dbraw/zinc/70/76/09/530707609.db2.gz FCBPDRWWYLUHAO-LLVKDONJSA-N 0 3 376.504 0.234 20 0 GCADHN COCCCS(=O)(=O)NCCN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000362853702 530707713 /nfs/dbraw/zinc/70/77/13/530707713.db2.gz VEOVRZUQBWEQNI-KRWDZBQOSA-N 0 3 376.567 0.043 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000473921486 530713586 /nfs/dbraw/zinc/71/35/86/530713586.db2.gz VVKZZUYZEVFJSG-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)nc1 ZINC000349599780 530713935 /nfs/dbraw/zinc/71/39/35/530713935.db2.gz HEXDRJRCXUBSCQ-CQSZACIVSA-N 0 3 390.531 0.393 20 0 GCADHN Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CC[N@H+](C)C2)nc1 ZINC000349599780 530713936 /nfs/dbraw/zinc/71/39/36/530713936.db2.gz HEXDRJRCXUBSCQ-CQSZACIVSA-N 0 3 390.531 0.393 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccnc1Br ZINC000367670996 530714923 /nfs/dbraw/zinc/71/49/23/530714923.db2.gz IQWDIPOIAZTRDU-MNOVXSKESA-N 0 3 383.246 0.762 20 0 GCADHN C[C@H](CCS(C)(=O)=O)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000474245105 530716368 /nfs/dbraw/zinc/71/63/68/530716368.db2.gz CKHXIDKADGPOEH-ZIAGYGMSSA-N 0 3 376.523 0.052 20 0 GCADHN C[C@@H](CCS(C)(=O)=O)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000474245104 530716477 /nfs/dbraw/zinc/71/64/77/530716477.db2.gz CKHXIDKADGPOEH-UONOGXRCSA-N 0 3 376.523 0.052 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2cccnc2)C1 ZINC000349607393 530717727 /nfs/dbraw/zinc/71/77/27/530717727.db2.gz USSNBWUXMIQSNO-CYBMUJFWSA-N 0 3 376.504 0.085 20 0 GCADHN CCN1CCN(CCC(=O)N2CSC[C@H]2C(=O)N2CCSCC2)CC1 ZINC000469016351 530684418 /nfs/dbraw/zinc/68/44/18/530684418.db2.gz QCJYUWHYEGCGJZ-HNNXBMFYSA-N 0 3 386.587 0.491 20 0 GCADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC2(N(C)C)CCOCC2)C1 ZINC000609916861 530684871 /nfs/dbraw/zinc/68/48/71/530684871.db2.gz KFUYBSUJRAZZLG-AWEZNQCLSA-N 0 3 377.507 0.207 20 0 GCADHN CCS(=O)(=O)C[C@H](C)NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000369848173 530736294 /nfs/dbraw/zinc/73/62/94/530736294.db2.gz SGDOZNYBHDKQQJ-NSHDSACASA-N 0 3 392.547 0.592 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)c1OC ZINC000579007114 530738077 /nfs/dbraw/zinc/73/80/77/530738077.db2.gz XWJBKIZQAJCYQN-NSHDSACASA-N 0 3 391.877 0.317 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000477560105 530744875 /nfs/dbraw/zinc/74/48/75/530744875.db2.gz PIWNYRCGUOANCE-GDBMZVCRSA-N 0 3 389.543 0.744 20 0 GCADHN CN(C)C[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000579483251 530743400 /nfs/dbraw/zinc/74/34/00/530743400.db2.gz JPANBENPWIHYAM-HNNXBMFYSA-N 0 3 387.933 0.832 20 0 GCADHN CC(C)CN1CCC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000477472119 530743611 /nfs/dbraw/zinc/74/36/11/530743611.db2.gz AZBBGVUGMSLBIQ-HNNXBMFYSA-N 0 3 383.580 0.555 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000477472732 530743858 /nfs/dbraw/zinc/74/38/58/530743858.db2.gz VHTKTGFTPQGUJG-CQSZACIVSA-N 0 3 375.516 0.451 20 0 GCADHN CN(C)[C@]1(CNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)CCSC1 ZINC000579509688 530743995 /nfs/dbraw/zinc/74/39/95/530743995.db2.gz ZQUSUXTWPZRWFV-JSGCOSHPSA-N 0 3 384.468 0.986 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000477477916 530744037 /nfs/dbraw/zinc/74/40/37/530744037.db2.gz QSDCHQBHYZMRAK-UHFFFAOYSA-N 0 3 389.543 0.698 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000368307613 530722393 /nfs/dbraw/zinc/72/23/93/530722393.db2.gz LPZXGHSXPALFDW-HNNXBMFYSA-N 0 3 375.535 0.952 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000477487651 530744200 /nfs/dbraw/zinc/74/42/00/530744200.db2.gz KKRKICIJFNSSRQ-CABCVRRESA-N 0 3 388.559 0.957 20 0 GCADHN CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCO[C@H](CN)C2)c1F ZINC000368414579 530722842 /nfs/dbraw/zinc/72/28/42/530722842.db2.gz XVSDDFHFFKHZCM-SECBINFHSA-N 0 3 395.250 0.791 20 0 GCADHN Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000475396156 530724440 /nfs/dbraw/zinc/72/44/40/530724440.db2.gz VCNHTUYWFIELRU-VIFPVBQESA-N 0 3 376.226 0.874 20 0 GCADHN COC[C@@H]1CCCCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000368756561 530726629 /nfs/dbraw/zinc/72/66/29/530726629.db2.gz IFQIXMUILBSMBM-MRXNPFEDSA-N 0 3 377.551 0.911 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC[C@H](O)COCc1ccccc1Cl ZINC000578187563 530727946 /nfs/dbraw/zinc/72/79/46/530727946.db2.gz JFUSXPSNDMVCCW-AWEZNQCLSA-N 0 3 379.910 0.640 20 0 GCADHN C[C@H](CO)N1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000368976724 530728326 /nfs/dbraw/zinc/72/83/26/530728326.db2.gz YKRPYJCKDDHXDU-OLZOCXBDSA-N 0 3 375.516 0.330 20 0 GCADHN CN1CCC(N2CC[C@H](NC(=O)CS[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000369272910 530730800 /nfs/dbraw/zinc/73/08/00/530730800.db2.gz DGYIIAZBTQXTHU-ZFWWWQNUSA-N 0 3 375.560 0.191 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1CNCCO1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000578434320 530731551 /nfs/dbraw/zinc/73/15/51/530731551.db2.gz OSBOZPRSUMJSBY-GXSJLCMTSA-N 0 3 396.241 0.538 20 0 GCADHN C[C@H](CS(C)(=O)=O)NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000369308412 530731700 /nfs/dbraw/zinc/73/17/00/530731700.db2.gz TVMGAHORMDHWDL-ILXRZTDVSA-N 0 3 375.535 0.950 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000369322695 530732064 /nfs/dbraw/zinc/73/20/64/530732064.db2.gz SGZANEJEHHJZGV-VHRBIJSZSA-N 0 3 391.490 0.945 20 0 GCADHN COc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(Br)c1OC ZINC000578523838 530732575 /nfs/dbraw/zinc/73/25/75/530732575.db2.gz RXOZGZSHBFMQPS-PWSUYJOCSA-N 0 3 398.257 0.850 20 0 GCADHN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000476399293 530732618 /nfs/dbraw/zinc/73/26/18/530732618.db2.gz TZCIJMQMLGKJCT-LSDHHAIUSA-N 0 3 376.519 0.873 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000578626112 530733429 /nfs/dbraw/zinc/73/34/29/530733429.db2.gz VDNRGAUQALMMTK-UHFFFAOYSA-N 0 3 385.251 0.366 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)NCCCN2CCC(O)CC2)cc1Cl ZINC000578665408 530734090 /nfs/dbraw/zinc/73/40/90/530734090.db2.gz DOZCRZCHRGHKPN-UHFFFAOYSA-N 0 3 375.878 0.564 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000477558461 530744962 /nfs/dbraw/zinc/74/49/62/530744962.db2.gz VMLKWPBSTUQGJW-LLVKDONJSA-N 0 3 380.536 0.115 20 0 GCADHN C[C@H](NC(=O)c1cc(Br)cnc1N(C)C)C(=O)NCCN(C)C ZINC000578802270 530735279 /nfs/dbraw/zinc/73/52/79/530735279.db2.gz VIHMQOQDRAKYMY-JTQLQIEISA-N 0 3 386.294 0.706 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc1Cl ZINC000578777028 530735285 /nfs/dbraw/zinc/73/52/85/530735285.db2.gz ZECMAAZMPJGIAU-UHFFFAOYSA-N 0 3 392.909 0.957 20 0 GCADHN [NH3+]C[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418152376 530749756 /nfs/dbraw/zinc/74/97/56/530749756.db2.gz GZSCOCCDHIHPHW-SNVBAGLBSA-N 0 3 378.857 0.748 20 0 GCADHN O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NC[C@@H]1CNCCO1 ZINC000418151807 530750066 /nfs/dbraw/zinc/75/00/66/530750066.db2.gz GDVPENSPMYMVIU-NSHDSACASA-N 0 3 394.856 0.045 20 0 GCADHN [NH3+][C@@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418166650 530750979 /nfs/dbraw/zinc/75/09/79/530750979.db2.gz ZQAVNRSHJUBZMF-LLVKDONJSA-N 0 3 378.857 0.890 20 0 GCADHN CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000580791096 530751335 /nfs/dbraw/zinc/75/13/35/530751335.db2.gz FHLKQOOHADEHAM-AWEZNQCLSA-N 0 3 389.543 0.995 20 0 GCADHN C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418172670 530751574 /nfs/dbraw/zinc/75/15/74/530751574.db2.gz PLRKMKYSACMDLL-MNOVXSKESA-N 0 3 376.429 0.622 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)NCC1=CC[NH2+]CC1 ZINC000418170744 530752090 /nfs/dbraw/zinc/75/20/90/530752090.db2.gz NKSOTKPFYNRNCB-UHFFFAOYSA-N 0 3 390.868 0.976 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000371590080 530755941 /nfs/dbraw/zinc/75/59/41/530755941.db2.gz KYDUHILUVYFWHW-CYBMUJFWSA-N 0 3 387.527 0.890 20 0 GCADHN Cc1ccc(Br)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000581261009 530756159 /nfs/dbraw/zinc/75/61/59/530756159.db2.gz HETOAPGPIFDOOK-ZYHUDNBSSA-N 0 3 395.257 0.466 20 0 GCADHN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581321786 530757275 /nfs/dbraw/zinc/75/72/75/530757275.db2.gz YNVPNVPGHOAKSG-ZKYQVNSYSA-N 0 3 382.258 0.987 20 0 GCADHN Cc1cc(F)c(NC(=O)C(=O)NC2CNC2)c(I)c1 ZINC000581357938 530757521 /nfs/dbraw/zinc/75/75/21/530757521.db2.gz TWBNCCGPALAYED-UHFFFAOYSA-N 0 3 377.157 0.765 20 0 GCADHN CN(C)CCn1ccc(C(=O)NCCn2cc(Br)ccc2=O)n1 ZINC000582310457 530757967 /nfs/dbraw/zinc/75/79/67/530757967.db2.gz JCSXLXGASNWDKO-UHFFFAOYSA-N 0 3 382.262 0.799 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)C(C)S(=O)(=O)C2CCOCC2)C1 ZINC000479885388 530760614 /nfs/dbraw/zinc/76/06/14/530760614.db2.gz JXPHXVYDEDWXGR-LSDHHAIUSA-N 0 3 376.519 0.442 20 0 GCADHN COCCN1CCC(NC(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000372073010 530762258 /nfs/dbraw/zinc/76/22/58/530762258.db2.gz SUFGVSNKYSOEQP-OAHLLOKOSA-N 0 3 376.523 0.209 20 0 GCADHN O=C1N[C@@H]2CCCC[C@@H]2CC1S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000581677965 530762293 /nfs/dbraw/zinc/76/22/93/530762293.db2.gz VJKNWDWMHVBHGR-OPRDCNLKSA-N 0 3 381.380 0.598 20 0 GCADHN CN1CCN(CCNC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1(C)C ZINC000581863024 530763473 /nfs/dbraw/zinc/76/34/73/530763473.db2.gz FRCUMAAUTXNWCM-UHFFFAOYSA-N 0 3 377.555 0.030 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000370672461 530745653 /nfs/dbraw/zinc/74/56/53/530745653.db2.gz FDNWAJURYFJWTP-RYUDHWBXSA-N 0 3 391.490 0.817 20 0 GCADHN CCC[N@@H+]1CCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000477614826 530745773 /nfs/dbraw/zinc/74/57/73/530745773.db2.gz UTLVQDHTKPBSQK-NSHDSACASA-N 0 3 376.504 0.426 20 0 GCADHN CCC[N@H+]1CCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000477614826 530745779 /nfs/dbraw/zinc/74/57/79/530745779.db2.gz UTLVQDHTKPBSQK-NSHDSACASA-N 0 3 376.504 0.426 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCCn2cc(Br)ccc2=O)C[C@H](C)O1 ZINC000581880231 530763902 /nfs/dbraw/zinc/76/39/02/530763902.db2.gz YBOSZUJCMAFVNC-GUTXKFCHSA-N 0 3 388.306 0.671 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1Cl ZINC000579853147 530747613 /nfs/dbraw/zinc/74/76/13/530747613.db2.gz DRABNKPFOFPIEJ-CMPLNLGQSA-N 0 3 386.861 0.096 20 0 GCADHN [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418156031 530749055 /nfs/dbraw/zinc/74/90/55/530749055.db2.gz AGTZCAOJIQWCJH-PWSUYJOCSA-N 0 3 376.429 0.670 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)NC1CC[NH2+]CC1 ZINC000418156113 530749510 /nfs/dbraw/zinc/74/95/10/530749510.db2.gz AJRPDEKNDIKWNG-UHFFFAOYSA-N 0 3 378.857 0.809 20 0 GCADHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000480677828 530769398 /nfs/dbraw/zinc/76/93/98/530769398.db2.gz FTOADHSBADPQBF-ZDUSSCGKSA-N 0 3 377.532 0.912 20 0 GCADHN C[NH+](C)CC1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000615512674 530770702 /nfs/dbraw/zinc/77/07/02/530770702.db2.gz JDMZBKHAHZJLFS-UHFFFAOYSA-N 0 3 396.332 0.809 20 0 GCADHN O=C(NCCNC[C@H](O)COc1cccc(Br)c1)c1cnccn1 ZINC000581997999 530770807 /nfs/dbraw/zinc/77/08/07/530770807.db2.gz NWHPKQUEVDUNKM-ZDUSSCGKSA-N 0 3 395.257 0.998 20 0 GCADHN CCCCCNC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000064357108 530787415 /nfs/dbraw/zinc/78/74/15/530787415.db2.gz GLXOQDIXPCVJFI-LLVKDONJSA-N 0 3 376.504 0.843 20 0 GCADHN CCN1CCCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000372765580 530772490 /nfs/dbraw/zinc/77/24/90/530772490.db2.gz BCGLLZQQAWQLHN-OAHLLOKOSA-N 0 3 376.523 0.212 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000480921580 530773343 /nfs/dbraw/zinc/77/33/43/530773343.db2.gz RIOXGVUGUQWCMU-AWEZNQCLSA-N 0 3 392.547 0.259 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCCCCS(C)(=O)=O ZINC000480933676 530773929 /nfs/dbraw/zinc/77/39/29/530773929.db2.gz WLIBTLILHBNEIA-UHFFFAOYSA-N 0 3 394.563 0.555 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NCCNS(=O)(=O)c2ccccc2)CCSC1 ZINC000481041973 530774862 /nfs/dbraw/zinc/77/48/62/530774862.db2.gz UUJOHSBROQPBNC-MRXNPFEDSA-N 0 3 386.543 0.701 20 0 GCADHN CCCCNC(=O)[C@@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481203772 530776365 /nfs/dbraw/zinc/77/63/65/530776365.db2.gz FCWDTTMJVAYCTE-OCCSQVGLSA-N 0 3 392.543 0.787 20 0 GCADHN CCCc1nc(CS(=O)(=O)C(C)C(=O)N[C@H]2CCS(=O)(=O)C2)cs1 ZINC000642541149 530776594 /nfs/dbraw/zinc/77/65/94/530776594.db2.gz LMRCNBNQTXDVRS-QWRGUYRKSA-N 0 3 394.540 0.702 20 0 GCADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000373132094 530777484 /nfs/dbraw/zinc/77/74/84/530777484.db2.gz INFMPFAEOHIRIF-CABCVRRESA-N 0 3 376.523 0.211 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000373132097 530777783 /nfs/dbraw/zinc/77/77/83/530777783.db2.gz INFMPFAEOHIRIF-HUUCEWRRSA-N 0 3 376.523 0.211 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000373132099 530777875 /nfs/dbraw/zinc/77/78/75/530777875.db2.gz INFMPFAEOHIRIF-LSDHHAIUSA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CCN(CC2CCCC2)CC1 ZINC000373204554 530778013 /nfs/dbraw/zinc/77/80/13/530778013.db2.gz OQQVCHBUNXJDDM-UHFFFAOYSA-N 0 3 395.591 0.842 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NCCS(=O)(=O)NCC2CCC2)CCSC1 ZINC000481654876 530779933 /nfs/dbraw/zinc/77/99/33/530779933.db2.gz BXMMSTSHJZDXQD-OAHLLOKOSA-N 0 3 378.564 0.442 20 0 GCADHN COc1cccc(CS(=O)(=O)C(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000046140135 530780663 /nfs/dbraw/zinc/78/06/63/530780663.db2.gz QURGVIPXKUZBIT-DGCLKSJQSA-N 0 3 375.468 0.302 20 0 GCADHN CC(C(=O)N(CCN(C)C)C[C@@H]1CCCO1)S(=O)(=O)C1CCOCC1 ZINC000481802053 530781282 /nfs/dbraw/zinc/78/12/82/530781282.db2.gz BKHZGIGSUAXUCT-CABCVRRESA-N 0 3 376.519 0.538 20 0 GCADHN CN1CCN(CC2CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000057066035 530782973 /nfs/dbraw/zinc/78/29/73/530782973.db2.gz NPKRYCTWGADAES-INIZCTEOSA-N 0 3 389.587 0.393 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000646208947 530785520 /nfs/dbraw/zinc/78/55/20/530785520.db2.gz OPNOOUMAKAZNBN-SNVBAGLBSA-N 0 3 383.392 0.022 20 0 GCADHN O=C(CN1CCS(=O)(=O)CC1)NCC1CCN(Cc2cccs2)CC1 ZINC000061567678 530785559 /nfs/dbraw/zinc/78/55/59/530785559.db2.gz GQMKJAVUXNHWJD-UHFFFAOYSA-N 0 3 385.555 0.807 20 0 GCADHN CC(C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21)S(=O)(=O)C1CCOCC1 ZINC000482838500 530786376 /nfs/dbraw/zinc/78/63/76/530786376.db2.gz LVGGDKBREZZVRG-YUELXQCFSA-N 0 3 393.527 0.537 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(C)S(=O)(=O)C1CCOCC1)N1CCOCC1 ZINC000480420969 530765121 /nfs/dbraw/zinc/76/51/21/530765121.db2.gz XXDAHQOYHCBPRT-GOEBONIOSA-N 0 3 376.519 0.442 20 0 GCADHN CC1CCN(CCCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000014870934 530765347 /nfs/dbraw/zinc/76/53/47/530765347.db2.gz XLDXJFMWAFSRGR-UHFFFAOYSA-N 0 3 375.516 0.734 20 0 GCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000581935853 530766753 /nfs/dbraw/zinc/76/67/53/530766753.db2.gz JXHCREUFXXQQGL-GFCCVEGCSA-N 0 3 387.527 0.568 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@](=O)[C@H](C)[C@H]1C ZINC000480633807 530767602 /nfs/dbraw/zinc/76/76/02/530767602.db2.gz GXUZSMWHXKTCGC-QNXDBWELSA-N 0 3 376.548 0.592 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000480637180 530767749 /nfs/dbraw/zinc/76/77/49/530767749.db2.gz BBMYZSMSYSNXQX-JSGCOSHPSA-N 0 3 392.547 0.258 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc1C ZINC000480635233 530767795 /nfs/dbraw/zinc/76/77/95/530767795.db2.gz LWSRIBZJDJNGRO-CYBMUJFWSA-N 0 3 375.516 0.618 20 0 GCADHN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1 ZINC000480633392 530767847 /nfs/dbraw/zinc/76/78/47/530767847.db2.gz FFICSSWQMUXALM-IMJJTQAJSA-N 0 3 376.519 0.683 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1C ZINC000480647872 530768154 /nfs/dbraw/zinc/76/81/54/530768154.db2.gz PAAPTJCGYJCAAM-UKRRQHHQSA-N 0 3 389.543 0.864 20 0 GCADHN CN(C)CCOC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480641857 530768319 /nfs/dbraw/zinc/76/83/19/530768319.db2.gz DXFCVJVVOWHPEH-UHFFFAOYSA-N 0 3 391.515 0.216 20 0 GCADHN CN(C)CCn1ccc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)n1 ZINC000654944911 530798148 /nfs/dbraw/zinc/79/81/48/530798148.db2.gz DVIBKZNRBGKZNB-LBPRGKRZSA-N 0 3 386.499 0.071 20 0 GCADHN CN(C)CCn1ccc(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)n1 ZINC000654944910 530798340 /nfs/dbraw/zinc/79/83/40/530798340.db2.gz DVIBKZNRBGKZNB-GFCCVEGCSA-N 0 3 386.499 0.071 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000375582678 530803474 /nfs/dbraw/zinc/80/34/74/530803474.db2.gz LLVDAHGIKIMUQW-ZDUSSCGKSA-N 0 3 387.527 0.890 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)s1)N[C@@H](CO)CN1CCCC1 ZINC000646220033 530788682 /nfs/dbraw/zinc/78/86/82/530788682.db2.gz CXJBDOPQNXKAHJ-SNVBAGLBSA-N 0 3 390.303 0.813 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc(Cl)c1F ZINC000483488120 530789941 /nfs/dbraw/zinc/78/99/41/530789941.db2.gz XNWBMWARHNFZSY-SECBINFHSA-N 0 3 375.784 0.243 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc(Cl)c1F ZINC000483488144 530790064 /nfs/dbraw/zinc/79/00/64/530790064.db2.gz XNWBMWARHNFZSY-VIFPVBQESA-N 0 3 375.784 0.243 20 0 GCADHN C[NH+]1CCC([C@H]2CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C2)CC1 ZINC000374350582 530791278 /nfs/dbraw/zinc/79/12/78/530791278.db2.gz KOAGSDHPULXXGA-LBPRGKRZSA-N 0 3 399.289 0.902 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CCSC1 ZINC000483954440 530791520 /nfs/dbraw/zinc/79/15/20/530791520.db2.gz KSRXWRGZPPWZDS-INIZCTEOSA-N 0 3 384.889 0.931 20 0 GCADHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000658412157 530795354 /nfs/dbraw/zinc/79/53/54/530795354.db2.gz UHKFTQNDSQIIMK-QMMMGPOBSA-N 0 3 385.305 0.739 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000490416086 530828403 /nfs/dbraw/zinc/82/84/03/530828403.db2.gz KFMSLPCLXAQYPH-CQSZACIVSA-N 0 3 392.547 0.117 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000490507284 530829266 /nfs/dbraw/zinc/82/92/66/530829266.db2.gz IYWUOOSTZMOZBU-MRXNPFEDSA-N 0 3 387.527 0.701 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)N1CCC(C)CC1 ZINC000620821000 530830456 /nfs/dbraw/zinc/83/04/56/530830456.db2.gz JCUGIDSSPVSRQB-HNNXBMFYSA-N 0 3 375.539 0.240 20 0 GCADHN COCCCS(=O)(=O)NCCN1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000377957856 530832088 /nfs/dbraw/zinc/83/20/88/530832088.db2.gz TZKSBATTXKFLGK-IXDOHACOSA-N 0 3 377.551 0.516 20 0 GCADHN CCN1CCC[C@@H]1CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000491284353 530832796 /nfs/dbraw/zinc/83/27/96/530832796.db2.gz PGYHAHRUOSADOQ-CQSZACIVSA-N 0 3 375.516 0.369 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000491581332 530833949 /nfs/dbraw/zinc/83/39/49/530833949.db2.gz LJZHUXFVDPEPRN-UONOGXRCSA-N 0 3 389.543 0.946 20 0 GCADHN Cc1cccc(OCCNC(=O)C(C)S(=O)(=O)CCCS(C)(=O)=O)c1 ZINC000492130535 530836188 /nfs/dbraw/zinc/83/61/88/530836188.db2.gz ZQJLSGRNSLDZKH-AWEZNQCLSA-N 0 3 391.511 0.728 20 0 GCADHN CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CCCS(N)(=O)=O)C2)CC1 ZINC000375898984 530808693 /nfs/dbraw/zinc/80/86/93/530808693.db2.gz ZPFVYAJWDMCLSY-AWEZNQCLSA-N 0 3 376.523 0.292 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000487108879 530811097 /nfs/dbraw/zinc/81/10/97/530811097.db2.gz GMMNNUKSIKHMQN-AJNGGQMLSA-N 0 3 377.576 0.989 20 0 GCADHN CC(C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000055752707 530812265 /nfs/dbraw/zinc/81/22/65/530812265.db2.gz GOXBFNIPLUOACC-GFCCVEGCSA-N 0 3 388.873 0.823 20 0 GCADHN CC[C@H](C)N[C@H](CNC(=O)NCCNS(=O)(=O)N(C)C)c1ccco1 ZINC000655912706 530812279 /nfs/dbraw/zinc/81/22/79/530812279.db2.gz CEZZYMVEEDZCKY-QWHCGFSZSA-N 0 3 375.495 0.404 20 0 GCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000619360411 530812462 /nfs/dbraw/zinc/81/24/62/530812462.db2.gz UTBKNXDOTBAQMI-GJZGRUSLSA-N 0 3 375.539 0.240 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000642020411 530820484 /nfs/dbraw/zinc/82/04/84/530820484.db2.gz MKFZINAIURYOMH-KBPBESRZSA-N 0 3 397.273 0.620 20 0 GCADHN CN(C)S(=O)(=O)CCCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000492196783 530836597 /nfs/dbraw/zinc/83/65/97/530836597.db2.gz VIZKDYHEKKZINA-UHFFFAOYSA-N 0 3 375.457 0.855 20 0 GCADHN CCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000619898255 530823702 /nfs/dbraw/zinc/82/37/02/530823702.db2.gz IUALJNIXUBPXIA-ZDUSSCGKSA-N 0 3 386.543 0.966 20 0 GCADHN CCCCN(C)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000489855444 530825150 /nfs/dbraw/zinc/82/51/50/530825150.db2.gz DKWIPYZGCLOYHJ-UHFFFAOYSA-N 0 3 377.532 0.947 20 0 GCADHN CC(C(=O)NCC(C)(C)[C@@]1(O)CCCOC1)S(=O)(=O)C1CCOCC1 ZINC000620111507 530825370 /nfs/dbraw/zinc/82/53/70/530825370.db2.gz KYCKJCKXUDDYCT-SUMWQHHRSA-N 0 3 377.503 0.653 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377558612 530826914 /nfs/dbraw/zinc/82/69/14/530826914.db2.gz ADXSWGRGUAKIGB-LLVKDONJSA-N 0 3 392.934 0.186 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000582669561 530846711 /nfs/dbraw/zinc/84/67/11/530846711.db2.gz UKQDLJDXPCLAHE-CQSZACIVSA-N 0 3 388.559 0.815 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCOc3ccc(Br)cc3)CCN2C1=O ZINC000582737697 530847399 /nfs/dbraw/zinc/84/73/99/530847399.db2.gz VSSZETYGNOBFAU-GXTWGEPZSA-N 0 3 397.273 0.781 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H](C)CS(C)(=O)=O)CC1 ZINC000498763118 530850874 /nfs/dbraw/zinc/85/08/74/530850874.db2.gz KTTGMIVHPFGKJG-JTQLQIEISA-N 0 3 378.520 0.202 20 0 GCADHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000498900113 530851967 /nfs/dbraw/zinc/85/19/67/530851967.db2.gz XBLPFGOIHNTTSS-LBPRGKRZSA-N 0 3 375.516 0.685 20 0 GCADHN CN1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@@H](CN)C1 ZINC000582903925 530856099 /nfs/dbraw/zinc/85/60/99/530856099.db2.gz RMVRGFRGOQDQGJ-STQMWFEESA-N 0 3 395.301 0.903 20 0 GCADHN NS(=O)(=O)CCCCNCCS(=O)(=O)c1cccc(Br)c1 ZINC000582960477 530856698 /nfs/dbraw/zinc/85/66/98/530856698.db2.gz VOQAEPBWJVTTQG-UHFFFAOYSA-N 0 3 399.332 0.881 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000500871169 530865003 /nfs/dbraw/zinc/86/50/03/530865003.db2.gz SXMGMMBXWJXPHQ-OAHLLOKOSA-N 0 3 392.591 0.929 20 0 GCADHN CC(C)(C)N1C[C@@H](C(=O)NCC2CN(S(C)(=O)=O)C2)[C@H](C(F)(F)F)C1 ZINC000501739101 530869876 /nfs/dbraw/zinc/86/98/76/530869876.db2.gz JMDIVJVLOWNCMU-VXGBXAGGSA-N 0 3 385.452 0.903 20 0 GCADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H](C)NS(C)(=O)=O ZINC000610414698 530870674 /nfs/dbraw/zinc/87/06/74/530870674.db2.gz IYKNOADHMHLYPG-UONOGXRCSA-N 0 3 377.507 0.190 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@H](C)[NH+](C)C)s1 ZINC000657090157 530873613 /nfs/dbraw/zinc/87/36/13/530873613.db2.gz GDLFWWBXEMCRMD-LBPRGKRZSA-N 0 3 397.588 0.848 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171044021 530842884 /nfs/dbraw/zinc/84/28/84/530842884.db2.gz YVSRHHYKLXOAQE-GFCCVEGCSA-N 0 3 399.289 0.776 20 0 GCADHN COCCN1CCC(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000582614129 530846117 /nfs/dbraw/zinc/84/61/17/530846117.db2.gz KFDXHKXNJOOLHJ-UHFFFAOYSA-N 0 3 375.878 0.828 20 0 GCADHN CCCN(C(=O)[C@@H](C)NCCC(C)(C)C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000506660591 530899673 /nfs/dbraw/zinc/89/96/73/530899673.db2.gz BVLFHHPYLPTSAS-KGLIPLIRSA-N 0 3 376.519 0.980 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)NC2(CCO)CCN(C)CC2)CC1 ZINC000622490385 530900168 /nfs/dbraw/zinc/90/01/68/530900168.db2.gz ULQHHKRFSGJXRD-UHFFFAOYSA-N 0 3 375.535 0.448 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)CN(CC)CC ZINC000480687145 530901629 /nfs/dbraw/zinc/90/16/29/530901629.db2.gz DZIZUGLSWQUZMV-CYBMUJFWSA-N 0 3 377.532 0.993 20 0 GCADHN CC(C(=O)NCCc1cccs1)S(=O)(=O)Cc1cccc(C(N)=O)n1 ZINC000502857195 530877248 /nfs/dbraw/zinc/87/72/48/530877248.db2.gz RWVYNZJXKHSONT-LLVKDONJSA-N 0 3 381.479 0.904 20 0 GCADHN CS[C@H]1CN(c2ncc(Br)cc2S(N)(=O)=O)C[C@@H]1N(C)C ZINC000503275520 530880223 /nfs/dbraw/zinc/88/02/23/530880223.db2.gz NLWBPFZOSYVMJL-UWVGGRQHSA-N 0 3 395.348 0.973 20 0 GCADHN COc1ccc(Br)c(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000504531239 530890617 /nfs/dbraw/zinc/89/06/17/530890617.db2.gz DHDYLMYEIHSLRC-HNNXBMFYSA-N 0 3 388.262 0.825 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000505503588 530894346 /nfs/dbraw/zinc/89/43/46/530894346.db2.gz SDCDNOGIUCWHQZ-GDBMZVCRSA-N 0 3 377.576 0.992 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000657518200 530896083 /nfs/dbraw/zinc/89/60/83/530896083.db2.gz GFXBHKXAVRXCIB-SNVBAGLBSA-N 0 3 395.257 0.975 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657518714 530896150 /nfs/dbraw/zinc/89/61/50/530896150.db2.gz OXVBBTSDVKDLJE-ZETCQYMHSA-N 0 3 380.189 0.705 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000418765237 530934845 /nfs/dbraw/zinc/93/48/45/530934845.db2.gz LMFRWXHCCMSTOI-ZWNOBZJWSA-N 0 3 376.226 0.909 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000511156518 530933961 /nfs/dbraw/zinc/93/39/61/530933961.db2.gz IANYOEYHHQIPHF-QLFBSQMISA-N 0 3 382.548 0.420 20 0 GCADHN CN1CCN(CCNC(=O)CCNS(=O)(=O)c2cccs2)CC1(C)C ZINC000508336390 530911886 /nfs/dbraw/zinc/91/18/86/530911886.db2.gz YHGRRHRLJNOZSX-UHFFFAOYSA-N 0 3 388.559 0.559 20 0 GCADHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000390466037 530915058 /nfs/dbraw/zinc/91/50/58/530915058.db2.gz AGMNRQTYLDCERH-SNVBAGLBSA-N 0 3 378.223 0.767 20 0 GCADHN COc1ccc(Br)c(C(=O)NCCCNc2nc(N)nc(N)n2)c1 ZINC000623959638 530915714 /nfs/dbraw/zinc/91/57/14/530915714.db2.gz XAOWNMQDIKQYJM-UHFFFAOYSA-N 0 3 396.249 0.122 20 0 GCADHN COCCc1noc(CS(=O)(=O)C(C)C(=O)NCCc2cccs2)n1 ZINC000509140508 530916143 /nfs/dbraw/zinc/91/61/43/530916143.db2.gz QRWJAEAHVZYGEE-LLVKDONJSA-N 0 3 387.483 0.982 20 0 GCADHN O=C(NC[C@H](O)COc1ccccc1Br)NC[C@H]1CNCCO1 ZINC000418757681 530934304 /nfs/dbraw/zinc/93/43/04/530934304.db2.gz DRRABLKBFXBXDV-NWDGAFQWSA-N 0 3 388.262 0.476 20 0 GCADHN Cc1cc(N2CC[C@@H](Nc3nc(N)nc(N)n3)C2=O)ccc1Br ZINC000624105114 530919989 /nfs/dbraw/zinc/91/99/89/530919989.db2.gz CFBWZSGYVVVMKU-SNVBAGLBSA-N 0 3 378.234 0.407 20 0 GCADHN CCOC(=O)CCCS(=O)(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000610727943 530920886 /nfs/dbraw/zinc/92/08/86/530920886.db2.gz FOWVAZBUUCHUSD-INIZCTEOSA-N 0 3 375.535 0.760 20 0 GCADHN CCOC(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000610727945 530921317 /nfs/dbraw/zinc/92/13/17/530921317.db2.gz FOWVAZBUUCHUSD-MRXNPFEDSA-N 0 3 375.535 0.760 20 0 GCADHN Nc1nc(N)nc(NC2CCN(Cc3cccc(Br)c3)CC2)n1 ZINC000624286184 530923306 /nfs/dbraw/zinc/92/33/06/530923306.db2.gz MOFSRSKTKRFUAY-UHFFFAOYSA-N 0 3 378.278 0.958 20 0 GCADHN COc1ccc(C[C@@H](CO)CNc2nc(N)nc(N)n2)cc1Br ZINC000624258728 530923398 /nfs/dbraw/zinc/92/33/98/530923398.db2.gz ROCQNFLUCLBIRX-SECBINFHSA-N 0 3 383.250 0.153 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)COc3ccc(Br)cc3F)CCN2C1=O ZINC000584851128 530925566 /nfs/dbraw/zinc/92/55/66/530925566.db2.gz SYJQGQPSALTNDH-PWSUYJOCSA-N 0 3 386.221 0.737 20 0 GCADHN COCCNCCNC(=O)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000419334349 530957819 /nfs/dbraw/zinc/95/78/19/530957819.db2.gz NDIRXCONRMADOD-UHFFFAOYSA-N 0 3 384.889 0.961 20 0 GCADHN Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419301034 530957825 /nfs/dbraw/zinc/95/78/25/530957825.db2.gz NGEYPZNFMLWCHW-ZDUSSCGKSA-N 0 3 384.274 0.787 20 0 GCADHN O=C(NCc1ccc([O-])c(Br)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419404480 530957872 /nfs/dbraw/zinc/95/78/72/530957872.db2.gz GASNAWWUZLUXHC-NEPJUHHUSA-N 0 3 382.258 0.839 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419460575 530959095 /nfs/dbraw/zinc/95/90/95/530959095.db2.gz JBXLGOUNERGPRA-GFCCVEGCSA-N 0 3 396.285 0.702 20 0 GCADHN COCCCN1CCC(NC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000517249813 530959562 /nfs/dbraw/zinc/95/95/62/530959562.db2.gz QLGWDQYMLDDYRP-OAHLLOKOSA-N 0 3 375.535 0.954 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000632112957 530959869 /nfs/dbraw/zinc/95/98/69/530959869.db2.gz NPACGJDBSFSSNR-ZIAGYGMSSA-N 0 3 379.473 0.990 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419583083 530960603 /nfs/dbraw/zinc/96/06/03/530960603.db2.gz GPJYUCZCSWOPKB-YGRLFVJLSA-N 0 3 382.258 0.657 20 0 GCADHN Cc1cc(Br)cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000520841424 530960619 /nfs/dbraw/zinc/96/06/19/530960619.db2.gz RAWJKWRKFDMJBG-STQMWFEESA-N 0 3 395.257 0.466 20 0 GCADHN Cc1cc(S(=O)(=O)NCCNCC2(O)CCS(=O)(=O)CC2)c(C)s1 ZINC000517359566 530960659 /nfs/dbraw/zinc/96/06/59/530960659.db2.gz IDHYBMOGKZXHCX-UHFFFAOYSA-N 0 3 396.556 0.173 20 0 GCADHN COCCCN1C(=O)N=NC1S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C ZINC000517468612 530961037 /nfs/dbraw/zinc/96/10/37/530961037.db2.gz PQDZGAVCNWHCOF-LBPRGKRZSA-N 0 3 376.479 0.828 20 0 GCADHN CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)CCCN2CCCC2)CC1 ZINC000632186538 530961932 /nfs/dbraw/zinc/96/19/32/530961932.db2.gz UMPSBOOWYAKFKL-UHFFFAOYSA-N 0 3 395.591 0.842 20 0 GCADHN CCCC[C@@H](CN)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000419788778 530962323 /nfs/dbraw/zinc/96/23/23/530962323.db2.gz SOMQCMISGALRSZ-LBPRGKRZSA-N 0 3 389.905 0.993 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2CN)cc1Cl ZINC000419777209 530962411 /nfs/dbraw/zinc/96/24/11/530962411.db2.gz LPFLMWJEZWGHIO-GFCCVEGCSA-N 0 3 387.889 0.700 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000632190123 530962442 /nfs/dbraw/zinc/96/24/42/530962442.db2.gz WMYIMXAUEIRBLM-UHFFFAOYSA-N 0 3 387.527 0.345 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2CN)cc1Cl ZINC000419777213 530962565 /nfs/dbraw/zinc/96/25/65/530962565.db2.gz LPFLMWJEZWGHIO-LBPRGKRZSA-N 0 3 387.889 0.700 20 0 GCADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419766846 530962639 /nfs/dbraw/zinc/96/26/39/530962639.db2.gz YYBCHKIIVPAPLE-NSHDSACASA-N 0 3 389.283 0.468 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000419836575 530962965 /nfs/dbraw/zinc/96/29/65/530962965.db2.gz ZIFVAAXLQPCEHB-LBPRGKRZSA-N 0 3 386.290 0.849 20 0 GCADHN CN(C)CCCS(=O)(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000632215150 530963041 /nfs/dbraw/zinc/96/30/41/530963041.db2.gz XQZSHHAYRACDMR-UHFFFAOYSA-N 0 3 375.516 0.598 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000420020474 530964531 /nfs/dbraw/zinc/96/45/31/530964531.db2.gz FHIZDMVMLWQXCQ-JTQLQIEISA-N 0 3 387.267 0.741 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000420012462 530964576 /nfs/dbraw/zinc/96/45/76/530964576.db2.gz JEHXAGHDGXWIPZ-RNCFNFMXSA-N 0 3 388.237 0.952 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@@H](C)CN)c1cc2c(cc1Br)OCCO2 ZINC000418811662 530936533 /nfs/dbraw/zinc/93/65/33/530936533.db2.gz HZEAMFRQLCGVSV-DTWKUNHWSA-N 0 3 386.246 0.861 20 0 GCADHN COc1ccc(I)c(NC(=O)C(=O)NC2CNC2)c1 ZINC000521213124 530964710 /nfs/dbraw/zinc/96/47/10/530964710.db2.gz FBYFQQVKVAEPMP-UHFFFAOYSA-N 0 3 375.166 0.326 20 0 GCADHN CC[C@H](O)[C@H]1CCCCN1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000511569555 530937816 /nfs/dbraw/zinc/93/78/16/530937816.db2.gz FGESBINCXQVCDV-CVEARBPZSA-N 0 3 377.551 0.788 20 0 GCADHN C[C@H](NC(=O)C(=O)N(C)CCN)c1cc2c(cc1Br)OCCO2 ZINC000418830986 530938342 /nfs/dbraw/zinc/93/83/42/530938342.db2.gz YDHCGNBWTDLJDD-VIFPVBQESA-N 0 3 386.246 0.815 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418834550 530938439 /nfs/dbraw/zinc/93/84/39/530938439.db2.gz OOXOOXDZMOCEDL-HZSPNIEDSA-N 0 3 382.258 0.526 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000419987969 530964959 /nfs/dbraw/zinc/96/49/59/530964959.db2.gz FESNYEBARMWUHH-SNVBAGLBSA-N 0 3 387.267 0.741 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000420043204 530965012 /nfs/dbraw/zinc/96/50/12/530965012.db2.gz OIUDJDWAXHTGQV-INIZCTEOSA-N 0 3 391.921 0.827 20 0 GCADHN Cc1ccc(Br)cc1NC(=O)CCNC(=O)C(=O)N[C@@H](C)CN ZINC000420029701 530965107 /nfs/dbraw/zinc/96/51/07/530965107.db2.gz OLVNQICHPFVONZ-JTQLQIEISA-N 0 3 385.262 0.666 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418872083 530947152 /nfs/dbraw/zinc/94/71/52/530947152.db2.gz VXXYUDIDVVKEIX-RYUDHWBXSA-N 0 3 383.290 0.950 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000419993431 530965177 /nfs/dbraw/zinc/96/51/77/530965177.db2.gz FHIZDMVMLWQXCQ-SNVBAGLBSA-N 0 3 387.267 0.741 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21)C1CC1 ZINC000418890591 530949092 /nfs/dbraw/zinc/94/90/92/530949092.db2.gz WHAIIASSIBKOMS-RYUDHWBXSA-N 0 3 386.221 0.991 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC000631899056 530949683 /nfs/dbraw/zinc/94/96/83/530949683.db2.gz DUNPNZUHVUEMNV-JKSUJKDBSA-N 0 3 375.535 0.760 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000262041575 530951848 /nfs/dbraw/zinc/95/18/48/530951848.db2.gz LJSHNDRBQWJPTI-DGCLKSJQSA-N 0 3 376.500 0.847 20 0 GCADHN C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419015293 530952897 /nfs/dbraw/zinc/95/28/97/530952897.db2.gz BIWMBGPSBSYRBY-IUODEOHRSA-N 0 3 398.301 0.991 20 0 GCADHN Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@@H](CN)C3CC3)nc12 ZINC000419036622 530953000 /nfs/dbraw/zinc/95/30/00/530953000.db2.gz BSSUHONRSWQNFT-ZDUSSCGKSA-N 0 3 394.273 0.875 20 0 GCADHN Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N[C@H](C)CN)nc12 ZINC000419046317 530953491 /nfs/dbraw/zinc/95/34/91/530953491.db2.gz VKHVAUDRXHLPDI-SNVBAGLBSA-N 0 3 382.262 0.527 20 0 GCADHN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C(=O)N2CCCNCC2)c1 ZINC000419060319 530953923 /nfs/dbraw/zinc/95/39/23/530953923.db2.gz ZBPJPUKVUFWQEB-UHFFFAOYSA-N 0 3 387.889 0.572 20 0 GCADHN CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419051688 530954075 /nfs/dbraw/zinc/95/40/75/530954075.db2.gz GJRVMAFQXBRRDQ-ZIAGYGMSSA-N 0 3 398.301 0.991 20 0 GCADHN COCCNCCNC(=O)C(=O)NCCc1ccc(Br)s1 ZINC000419104636 530955162 /nfs/dbraw/zinc/95/51/62/530955162.db2.gz AMHJNWLVEHBCHW-UHFFFAOYSA-N 0 3 378.292 0.522 20 0 GCADHN Cc1nc(C)c(-c2csc(NC(=O)C(=O)NC[C@H](O)CN(C)C)n2)s1 ZINC000521256699 530965529 /nfs/dbraw/zinc/96/55/29/530965529.db2.gz UNEFAXNCNWWUHU-JTQLQIEISA-N 0 3 383.499 0.861 20 0 GCADHN O=C(NCCc1ccc(Br)s1)C(=O)NC[C@@H]1CNCCO1 ZINC000419114767 530955525 /nfs/dbraw/zinc/95/55/25/530955525.db2.gz NAAVLHJXGXUDFN-VIFPVBQESA-N 0 3 376.276 0.274 20 0 GCADHN CNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)CCCN1CCCC1)CC2 ZINC000632031337 530955942 /nfs/dbraw/zinc/95/59/42/530955942.db2.gz FGSQMLKERFTYMF-UHFFFAOYSA-N 0 3 387.527 0.773 20 0 GCADHN CN(CCN)C(=O)C(=O)NCCOc1ccc(I)cc1 ZINC000419182537 530956960 /nfs/dbraw/zinc/95/69/60/530956960.db2.gz ZXXCPPKLAYCHAT-UHFFFAOYSA-N 0 3 391.209 0.203 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCCN1CC[NH2+]CC1 ZINC000516927205 530957070 /nfs/dbraw/zinc/95/70/70/530957070.db2.gz CIOHHGHVPRAYQH-UHFFFAOYSA-N 0 3 395.312 0.293 20 0 GCADHN CSC1(CNC(=O)N2CCC(CS(N)(=O)=O)CC2)CCN(C)CC1 ZINC000516942979 530957090 /nfs/dbraw/zinc/95/70/90/530957090.db2.gz KZQWVRBEJYFIDX-UHFFFAOYSA-N 0 3 378.564 0.524 20 0 GCADHN CC1CCN(CCNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000522081373 530972447 /nfs/dbraw/zinc/97/24/47/530972447.db2.gz XDAVHPZPYZDVSY-UHFFFAOYSA-N 0 3 378.564 0.396 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000522023270 530972712 /nfs/dbraw/zinc/97/27/12/530972712.db2.gz SZGCPHBVDFKGTN-HNNXBMFYSA-N 0 3 375.535 0.664 20 0 GCADHN CO[C@H](CC(C)C)CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000420688230 530972730 /nfs/dbraw/zinc/97/27/30/530972730.db2.gz FDPDMLGCXUQKMJ-CVEARBPZSA-N 0 3 375.535 0.616 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000522188226 530974313 /nfs/dbraw/zinc/97/43/13/530974313.db2.gz OXYWCWPXUAYQTR-CQSZACIVSA-N 0 3 388.559 0.559 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000522632516 530977863 /nfs/dbraw/zinc/97/78/63/530977863.db2.gz BQQHOBFZXRXKKL-LLVKDONJSA-N 0 3 395.934 0.811 20 0 GCADHN CS[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@H]1N(C)C ZINC000611217384 530979226 /nfs/dbraw/zinc/97/92/26/530979226.db2.gz HKNDAPJHDSLBAN-CVEARBPZSA-N 0 3 385.555 0.896 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCN(c2ccncc2)CC1 ZINC000632721952 530979753 /nfs/dbraw/zinc/97/97/53/530979753.db2.gz SIBJJEZQHWLBEN-UHFFFAOYSA-N 0 3 390.531 0.205 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2sccc2C)CC1=O ZINC000632726393 530980043 /nfs/dbraw/zinc/98/00/43/530980043.db2.gz JKEQOZGOWHBMTR-CYBMUJFWSA-N 0 3 375.516 0.514 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)CCC(F)(F)F)CC1=O ZINC000632726593 530980150 /nfs/dbraw/zinc/98/01/50/530980150.db2.gz MAAKDIDDMQGVGG-LLVKDONJSA-N 0 3 375.413 0.037 20 0 GCADHN CS[C@@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)C[C@@H]1N(C)C ZINC000536813112 530983085 /nfs/dbraw/zinc/98/30/85/530983085.db2.gz ADXRXJYVHUHTDQ-DTWKUNHWSA-N 0 3 384.453 0.832 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)COc1ccc(Br)cn1 ZINC000633626439 530984218 /nfs/dbraw/zinc/98/42/18/530984218.db2.gz QYFDSFAQAMTYHJ-UHFFFAOYSA-N 0 3 387.278 0.701 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccs1)NC[C@@H](O)CN1CCCCC1 ZINC000633481649 530984284 /nfs/dbraw/zinc/98/42/84/530984284.db2.gz DKTMMRGXQPONJX-CYBMUJFWSA-N 0 3 375.516 0.380 20 0 GCADHN C[C@@H](CCNS(=O)(=O)c1ccccc1)NS(=O)(=O)CCCN(C)C ZINC000632315647 530966085 /nfs/dbraw/zinc/96/60/85/530966085.db2.gz UCTZCRGEZDKJHM-AWEZNQCLSA-N 0 3 377.532 0.615 20 0 GCADHN COCCNCCNC(=O)C(=O)NCc1cn2cc(Br)ccc2n1 ZINC000420188247 530966159 /nfs/dbraw/zinc/96/61/59/530966159.db2.gz SOICWOMORKCJBQ-UHFFFAOYSA-N 0 3 398.261 0.065 20 0 GCADHN C[C@H](CCNS(=O)(=O)c1ccccc1)NS(=O)(=O)CCCN(C)C ZINC000632315648 530966264 /nfs/dbraw/zinc/96/62/64/530966264.db2.gz UCTZCRGEZDKJHM-CQSZACIVSA-N 0 3 377.532 0.615 20 0 GCADHN CN(C[C@@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1)S(C)(=O)=O ZINC000632328188 530966480 /nfs/dbraw/zinc/96/64/80/530966480.db2.gz SDEZMWNCELOYDK-HNNXBMFYSA-N 0 3 381.564 0.406 20 0 GCADHN CNS(=O)(=O)c1cccc2c1CCN(S(=O)(=O)CCCN(C)C)C2 ZINC000632316016 530966500 /nfs/dbraw/zinc/96/65/00/530966500.db2.gz TUIYAJBLYQLXES-UHFFFAOYSA-N 0 3 375.516 0.234 20 0 GCADHN CN(Cc1ccc(F)cc1Br)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420212477 530967006 /nfs/dbraw/zinc/96/70/06/530967006.db2.gz XXXNAALDEOJGHZ-LBPRGKRZSA-N 0 3 388.237 0.651 20 0 GCADHN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)c1 ZINC000420462014 530968100 /nfs/dbraw/zinc/96/81/00/530968100.db2.gz MJNJSKIHRQVKRE-LLVKDONJSA-N 0 3 380.369 0.521 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C[NH3+])C2)s1 ZINC000420454390 530968282 /nfs/dbraw/zinc/96/82/82/530968282.db2.gz LGYMAVJDCDTFNW-RYUDHWBXSA-N 0 3 395.572 0.636 20 0 GCADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000632367986 530968725 /nfs/dbraw/zinc/96/87/25/530968725.db2.gz AOROAYWELWCPHL-CJNGLKHVSA-N 0 3 387.527 0.940 20 0 GCADHN CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 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531009022 /nfs/dbraw/zinc/00/90/22/531009022.db2.gz JAZZYVJYFOFKLR-UHFFFAOYSA-N 0 3 391.877 0.711 20 0 GCADHN C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)s1)C(=O)NCCN1CCCCC1 ZINC000422106103 531009646 /nfs/dbraw/zinc/00/96/46/531009646.db2.gz VZEZGHMZSKJXJR-GFCCVEGCSA-N 0 3 387.527 0.872 20 0 GCADHN CC(C)CNC(=O)[C@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000332958229 531010596 /nfs/dbraw/zinc/01/05/96/531010596.db2.gz QPGMSGQHEZVTKR-TZMCWYRMSA-N 0 3 392.543 0.642 20 0 GCADHN CC(C(=O)N1CSC[C@H]1C(=O)NCC1CC1)S(=O)(=O)C1CCOCC1 ZINC000332958525 531010642 /nfs/dbraw/zinc/01/06/42/531010642.db2.gz RFUMNEVDJDVTHZ-FZMZJTMJSA-N 0 3 390.527 0.396 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000422169075 531011041 /nfs/dbraw/zinc/01/10/41/531011041.db2.gz UINZODUEBNBUNL-LSDHHAIUSA-N 0 3 376.523 0.211 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000420458961 531011720 /nfs/dbraw/zinc/01/17/20/531011720.db2.gz JHFUUZPIAWDONM-HUUCEWRRSA-N 0 3 393.506 0.130 20 0 GCADHN 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GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CCCC[C@@H]2C[NH3+])s1 ZINC000428996583 531105232 /nfs/dbraw/zinc/10/52/32/531105232.db2.gz SATVFOZTJLUROM-GFCCVEGCSA-N 0 3 388.515 0.002 20 0 GCADHN CN1CC[C@](O)(CNC(=O)Nc2ccncc2I)C1 ZINC000545168499 531083142 /nfs/dbraw/zinc/08/31/42/531083142.db2.gz DYFJYOBJTORNKH-LBPRGKRZSA-N 0 3 376.198 0.296 20 0 GCADHN COc1ccc(Br)c(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000545173988 531083843 /nfs/dbraw/zinc/08/38/43/531083843.db2.gz YHXFJAFKQXZDBW-HNNXBMFYSA-N 0 3 386.246 0.579 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545861528 531088099 /nfs/dbraw/zinc/08/80/99/531088099.db2.gz TYJYVOYQRLZFEU-NHYWBVRUSA-N 0 3 375.878 0.190 20 0 GCADHN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000545863554 531088139 /nfs/dbraw/zinc/08/81/39/531088139.db2.gz GTWBDALLDOPOMY-LKFCYVNXSA-N 0 3 390.303 0.812 20 0 GCADHN COc1cc(I)ccc1NC(=O)C(=O)NC1CNC1 ZINC000515517332 531089466 /nfs/dbraw/zinc/08/94/66/531089466.db2.gz 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Cn1cc(CNC[C@H](CO)Cc2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000428549434 531102800 /nfs/dbraw/zinc/10/28/00/531102800.db2.gz GTNNIIBYTJNKHC-CYBMUJFWSA-N 0 3 396.285 0.787 20 0 GCADHN O=C1[C@H](NC[C@H](O)COc2ccc(Br)cc2)CCCN1CCO ZINC000564329668 531103861 /nfs/dbraw/zinc/10/38/61/531103861.db2.gz ZGPLFZPPCDSYJK-DZGCQCFKSA-N 0 3 387.274 0.762 20 0 GCADHN CN(C)CCOCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000537545353 531072155 /nfs/dbraw/zinc/07/21/55/531072155.db2.gz OEDFCEXQBUSRPF-ZDUSSCGKSA-N 0 3 375.516 0.596 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN(C(=O)C[C@H]3CSCCN3)CC2)cc1 ZINC000262826419 531072370 /nfs/dbraw/zinc/07/23/70/531072370.db2.gz UDCLQYFNQJFJOQ-ZDUSSCGKSA-N 0 3 384.527 0.078 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCOc1cccc(S(C)(=O)=O)c1 ZINC000429714840 531109324 /nfs/dbraw/zinc/10/93/24/531109324.db2.gz HIXFWKZORHOFHU-HZPDHXFCSA-N 0 3 390.527 0.919 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000548113392 531109950 /nfs/dbraw/zinc/10/99/50/531109950.db2.gz 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531116438 /nfs/dbraw/zinc/11/64/38/531116438.db2.gz QZVAWLYCQUVSOU-UHFFFAOYSA-N 0 3 375.535 0.665 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)CCC1CCOCC1)C(=O)NCCN(C)C ZINC000431537479 531117084 /nfs/dbraw/zinc/11/70/84/531117084.db2.gz PNVVTXOEFUOACB-INIZCTEOSA-N 0 3 377.551 0.815 20 0 GCADHN CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C[C@H]1N1CCCC1 ZINC000548516921 531117267 /nfs/dbraw/zinc/11/72/67/531117267.db2.gz OVNHMWIHXWPFPE-CABCVRRESA-N 0 3 386.543 0.917 20 0 GCADHN CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C[C@@H]1N1CCCC1 ZINC000548516927 531117444 /nfs/dbraw/zinc/11/74/44/531117444.db2.gz OVNHMWIHXWPFPE-GJZGRUSLSA-N 0 3 386.543 0.917 20 0 GCADHN O=C(NCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)c1cccc(Br)c1 ZINC000673519094 531117555 /nfs/dbraw/zinc/11/75/55/531117555.db2.gz XMEUCURSLXQKTG-CABCVRRESA-N 0 3 396.285 0.846 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000673523262 531118092 /nfs/dbraw/zinc/11/80/92/531118092.db2.gz QPELYBMJHVYHBT-CQSZACIVSA-N 0 3 375.466 0.265 20 0 GCADHN CCN1CCN(CCCCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000433135515 531127350 /nfs/dbraw/zinc/12/73/50/531127350.db2.gz JEZJAFURKSVLRO-HNNXBMFYSA-N 0 3 376.567 0.484 20 0 GCADHN CCN(CCCNC(=O)NCCCN1CCCO[C@@H](C)C1)S(C)(=O)=O ZINC000433339787 531127890 /nfs/dbraw/zinc/12/78/90/531127890.db2.gz MJNRMXULMOYXNI-HNNXBMFYSA-N 0 3 378.539 0.458 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C[C@@H](C)O1 ZINC000674731699 531128044 /nfs/dbraw/zinc/12/80/44/531128044.db2.gz HYPICVGGZZQRIJ-OAGGEKHMSA-N 0 3 375.535 0.806 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC000433281280 531128024 /nfs/dbraw/zinc/12/80/24/531128024.db2.gz ICISVRSGKRTOFF-CQSZACIVSA-N 0 3 376.523 0.211 20 0 GCADHN COCCN(C(=O)CN[C@H](C1CC1)C(C)(C)CO)[C@H]1CCS(=O)(=O)C1 ZINC000550103160 531130473 /nfs/dbraw/zinc/13/04/73/531130473.db2.gz YTTHZLPXUMXGJJ-GOEBONIOSA-N 0 3 376.519 0.035 20 0 GCADHN CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433880812 531132469 /nfs/dbraw/zinc/13/24/69/531132469.db2.gz CJNOJTPUSFLPHL-AWEZNQCLSA-N 0 3 375.516 0.451 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000675917916 531134129 /nfs/dbraw/zinc/13/41/29/531134129.db2.gz JRGDAELNNKXTRT-CQSZACIVSA-N 0 3 398.305 0.801 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)NC[C@@H](O)CN2CCCCC2)CC1 ZINC000434451526 531135635 /nfs/dbraw/zinc/13/56/35/531135635.db2.gz DQZKCZNBTRANAD-UYSNPLJNSA-N 0 3 375.535 0.448 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000434420742 531135822 /nfs/dbraw/zinc/13/58/22/531135822.db2.gz SBWGCMRJJASWGE-KBPBESRZSA-N 0 3 381.564 0.010 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CSCCN3)CC2)cc1 ZINC000434869445 531138202 /nfs/dbraw/zinc/13/82/02/531138202.db2.gz NJGBUQZUBJXGQP-HNNXBMFYSA-N 0 3 383.539 0.923 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c1OC ZINC000551564053 531138178 /nfs/dbraw/zinc/13/81/78/531138178.db2.gz QLDJBMIGWKYXEQ-HNNXBMFYSA-N 0 3 394.877 0.726 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000154930526 531144135 /nfs/dbraw/zinc/14/41/35/531144135.db2.gz XCQVJZZMCPEDEG-LSDHHAIUSA-N 0 3 376.567 0.340 20 0 GCADHN CN(C)[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)s2)C[C@@H]1O ZINC000552439196 531144457 /nfs/dbraw/zinc/14/44/57/531144457.db2.gz CMRUOQIZOZPKFZ-IUCAKERBSA-N 0 3 376.276 0.374 20 0 GCADHN C[C@@H]1NCCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)[C@H]1C ZINC000436048099 531144730 /nfs/dbraw/zinc/14/47/30/531144730.db2.gz JJBHVBZNRDAZFZ-SOUVJXGZSA-N 0 3 385.555 0.946 20 0 GCADHN Cc1nc(N[C@H]2CCCS(=O)(=O)C2)cc(N[C@H]2CCCS(=O)(=O)C2)n1 ZINC000676878298 531141644 /nfs/dbraw/zinc/14/16/44/531141644.db2.gz UYIWPBSRMRFLDD-STQMWFEESA-N 0 3 388.515 0.763 20 0 GCADHN Cc1nc(N[C@@H]2CCCS(=O)(=O)C2)cc(N[C@@H]2CCCS(=O)(=O)C2)n1 ZINC000676878297 531141668 /nfs/dbraw/zinc/14/16/68/531141668.db2.gz UYIWPBSRMRFLDD-CHWSQXEVSA-N 0 3 388.515 0.763 20 0 GCADHN Cc1nc(N[C@@H]2CCCS(=O)(=O)C2)cc(N[C@H]2CCCS(=O)(=O)C2)n1 ZINC000676878296 531142002 /nfs/dbraw/zinc/14/20/02/531142002.db2.gz UYIWPBSRMRFLDD-BETUJISGSA-N 0 3 388.515 0.763 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)NC1CCN(C2CC2)CC1)C(F)(F)F ZINC000553342973 531151082 /nfs/dbraw/zinc/15/10/82/531151082.db2.gz ZDJXEGMYNGCZJA-LBPRGKRZSA-N 0 3 386.440 0.735 20 0 GCADHN CS(=O)(=O)N1CC[C@H](CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000678807546 531153413 /nfs/dbraw/zinc/15/34/13/531153413.db2.gz HGBSZXVCMPNDNE-BXUZGUMPSA-N 0 3 376.475 0.915 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](CN[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000678807549 531153680 /nfs/dbraw/zinc/15/36/80/531153680.db2.gz HGBSZXVCMPNDNE-SMDDNHRTSA-N 0 3 376.475 0.915 20 0 GCADHN Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc(Br)c1=O ZINC000678673824 531152175 /nfs/dbraw/zinc/15/21/75/531152175.db2.gz TYNFJPMBQOMLRN-LLVKDONJSA-N 0 3 397.273 0.687 20 0 GCADHN CN(C)CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000553771891 531156294 /nfs/dbraw/zinc/15/62/94/531156294.db2.gz PTXLAPZIUFVOSZ-UHFFFAOYSA-N 0 3 388.921 0.324 20 0 GCADHN C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H](C)C1 ZINC000553782946 531156331 /nfs/dbraw/zinc/15/63/31/531156331.db2.gz FNLVNSNATJDLFM-GVXVVHGQSA-N 0 3 399.289 0.900 20 0 GCADHN C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H](C)C1 ZINC000553782946 531156333 /nfs/dbraw/zinc/15/63/33/531156333.db2.gz FNLVNSNATJDLFM-GVXVVHGQSA-N 0 3 399.289 0.900 20 0 GCADHN CN(C)C1(CN(C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCC1 ZINC000553915561 531158115 /nfs/dbraw/zinc/15/81/15/531158115.db2.gz FPKGIJGLILMVQF-LLVKDONJSA-N 0 3 388.456 0.934 20 0 GCADHN COCCN(C)CCCNC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000553602912 531155092 /nfs/dbraw/zinc/15/50/92/531155092.db2.gz NRTVTYXCIAGDTB-HNNXBMFYSA-N 0 3 378.539 0.268 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000658401521 531162851 /nfs/dbraw/zinc/16/28/51/531162851.db2.gz GAIGLUOKEINIKV-ZDUSSCGKSA-N 0 3 387.527 0.890 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000439636412 531163135 /nfs/dbraw/zinc/16/31/35/531163135.db2.gz VXDMCTFMHHBJKW-UHFFFAOYSA-N 0 3 375.828 0.817 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000440334271 531171527 /nfs/dbraw/zinc/17/15/27/531171527.db2.gz CIXHSRRODGTIGP-MNOVXSKESA-N 0 3 379.479 0.864 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000440334275 531171244 /nfs/dbraw/zinc/17/12/44/531171244.db2.gz CIXHSRRODGTIGP-WDEREUQCSA-N 0 3 379.479 0.864 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1F ZINC000440440817 531173019 /nfs/dbraw/zinc/17/30/19/531173019.db2.gz QDQWNXRBENTXAZ-LLVKDONJSA-N 0 3 377.463 0.712 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000440357517 531172084 /nfs/dbraw/zinc/17/20/84/531172084.db2.gz MUMSSBVQCUVNFV-INIZCTEOSA-N 0 3 383.495 0.915 20 0 GCADHN CS(=O)(=O)c1ccccc1S(=O)(=O)NCCCNCc1cccnc1 ZINC000440368372 531172228 /nfs/dbraw/zinc/17/22/28/531172228.db2.gz ZSDZLUWCYAMVGY-UHFFFAOYSA-N 0 3 383.495 0.943 20 0 GCADHN C[C@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCOC1 ZINC000440510320 531173655 /nfs/dbraw/zinc/17/36/55/531173655.db2.gz QKDSSMZVSPXVFF-UONOGXRCSA-N 0 3 390.527 0.725 20 0 GCADHN C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCC[NH2+]C1 ZINC000440839210 531177304 /nfs/dbraw/zinc/17/73/04/531177304.db2.gz AJDMQQHWRSKSIB-HNNXBMFYSA-N 0 3 375.878 0.872 20 0 GCADHN O=C(CNC[C@@H](O)COc1cc(F)cc(Br)c1)N1CCOCC1 ZINC000564851993 531176423 /nfs/dbraw/zinc/17/64/23/531176423.db2.gz ULATYOGVVZGCAX-CYBMUJFWSA-N 0 3 391.237 0.776 20 0 GCADHN C[C@@H]1CCNC[C@H]1NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000440850315 531177894 /nfs/dbraw/zinc/17/78/94/531177894.db2.gz SRRPHHNTAJWSFT-MWLCHTKSSA-N 0 3 382.408 0.594 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1F ZINC000440863402 531178004 /nfs/dbraw/zinc/17/80/04/531178004.db2.gz PYMYSZOFKXDSIO-LLVKDONJSA-N 0 3 379.479 0.864 20 0 GCADHN C[C@@]1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCC[NH2+]C1 ZINC000440839863 531177373 /nfs/dbraw/zinc/17/73/73/531177373.db2.gz DDMMFISJPIYALO-CQSZACIVSA-N 0 3 379.479 0.865 20 0 GCADHN CNCCN(C)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C ZINC000440846016 531177613 /nfs/dbraw/zinc/17/76/13/531177613.db2.gz PTNFRILYIPYSHT-UHFFFAOYSA-N 0 3 391.291 0.479 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@]1(C)CCC[NH2+]C1 ZINC000440859343 531177727 /nfs/dbraw/zinc/17/77/27/531177727.db2.gz NCSBFHWIHDHXJQ-OAHLLOKOSA-N 0 3 375.516 0.605 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)CC1 ZINC000262315162 531179125 /nfs/dbraw/zinc/17/91/25/531179125.db2.gz ZLNVSVXDVNNDBW-RHSMWYFYSA-N 0 3 375.535 0.839 20 0 GCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000441051303 531179201 /nfs/dbraw/zinc/17/92/01/531179201.db2.gz QKLHXBVAEJEMEI-GXFFZTMASA-N 0 3 399.289 0.885 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)[C@]2(N)C[C@H](OCC)C2(C)C)CC1 ZINC000262315164 531179515 /nfs/dbraw/zinc/17/95/15/531179515.db2.gz ZLNVSVXDVNNDBW-WMLDXEAASA-N 0 3 375.535 0.839 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(O)c(Br)c3)CCN2C1=O ZINC000565252577 531183220 /nfs/dbraw/zinc/18/32/20/531183220.db2.gz DLTPJYJXYVYFFD-ZYHUDNBSSA-N 0 3 383.246 0.608 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000441579068 531182270 /nfs/dbraw/zinc/18/22/70/531182270.db2.gz GVPGAKOSONYEJQ-QMMMGPOBSA-N 0 3 380.189 0.705 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC[C@](C)(O)CN(C)C ZINC000153134220 531185403 /nfs/dbraw/zinc/18/54/03/531185403.db2.gz YLWRIRNTPBVVBJ-BZNIZROVSA-N 0 3 386.290 0.996 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000672774933 531185800 /nfs/dbraw/zinc/18/58/00/531185800.db2.gz XWIUBVCEWOMLBL-NWDGAFQWSA-N 0 3 388.456 0.982 20 0 GCADHN CN(C)S(=O)(=O)N[C@@H](CNC(=O)NC[C@H]1CCCN1C)C1CCCC1 ZINC000565583742 531187875 /nfs/dbraw/zinc/18/78/75/531187875.db2.gz UHSQGEOTVCHDSS-CABCVRRESA-N 0 3 375.539 0.335 20 0 GCADHN COc1ccc(Br)c(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000565669535 531188567 /nfs/dbraw/zinc/18/85/67/531188567.db2.gz FPOVQMYMGBPRNK-BXUZGUMPSA-N 0 3 397.273 0.911 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC(NCCS(=O)(=O)N(C)C)CC2)cc1 ZINC000565925164 531192450 /nfs/dbraw/zinc/19/24/50/531192450.db2.gz XZTROXRBNCIASD-UHFFFAOYSA-N 0 3 389.543 0.629 20 0 GCADHN [NH3+][C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000566248976 531196151 /nfs/dbraw/zinc/19/61/51/531196151.db2.gz OKCPQJMCADVBSK-VIFPVBQESA-N 0 3 396.694 0.940 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000047773912 531196427 /nfs/dbraw/zinc/19/64/27/531196427.db2.gz CCTMSVRNRQZMHE-AWEZNQCLSA-N 0 3 387.527 0.983 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)[N-]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000443085370 531196454 /nfs/dbraw/zinc/19/64/54/531196454.db2.gz BGCGRUKWCVCUMM-UHFFFAOYSA-N 0 3 376.504 0.234 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)[N-]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000443085370 531196456 /nfs/dbraw/zinc/19/64/56/531196456.db2.gz BGCGRUKWCVCUMM-UHFFFAOYSA-N 0 3 376.504 0.234 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000566455397 531197907 /nfs/dbraw/zinc/19/79/07/531197907.db2.gz MSVWMDSJJYMAGL-MRXNPFEDSA-N 0 3 387.889 0.191 20 0 GCADHN Cn1c(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)nc2c1cccc2F ZINC000737593405 598837861 /nfs/dbraw/zinc/83/78/61/598837861.db2.gz SQCIYNBQQDKISX-LLVKDONJSA-N 0 3 396.434 0.963 20 0 GCADHN Cn1c(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)nc2c1cccc2F ZINC000737593405 598837863 /nfs/dbraw/zinc/83/78/63/598837863.db2.gz SQCIYNBQQDKISX-LLVKDONJSA-N 0 3 396.434 0.963 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]C1CCN(C[C@H]3CCCO3)CC1)C2 ZINC000738450092 598837942 /nfs/dbraw/zinc/83/79/42/598837942.db2.gz OBNVWRRPPLXVSX-DZGCQCFKSA-N 0 3 387.492 0.338 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]C1CCN(C[C@H]3CCCO3)CC1)C2 ZINC000738450092 598837943 /nfs/dbraw/zinc/83/79/43/598837943.db2.gz OBNVWRRPPLXVSX-DZGCQCFKSA-N 0 3 387.492 0.338 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736143516 598844530 /nfs/dbraw/zinc/84/45/30/598844530.db2.gz KFEYEQQVRDPREL-LLVKDONJSA-N 0 3 398.464 0.472 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736143516 598844532 /nfs/dbraw/zinc/84/45/32/598844532.db2.gz KFEYEQQVRDPREL-LLVKDONJSA-N 0 3 398.464 0.472 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736143516 598844534 /nfs/dbraw/zinc/84/45/34/598844534.db2.gz KFEYEQQVRDPREL-LLVKDONJSA-N 0 3 398.464 0.472 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736143516 598844537 /nfs/dbraw/zinc/84/45/37/598844537.db2.gz KFEYEQQVRDPREL-LLVKDONJSA-N 0 3 398.464 0.472 20 0 GCADHN C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000736761393 598854754 /nfs/dbraw/zinc/85/47/54/598854754.db2.gz DZLSHCROVMQASA-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000736761393 598854755 /nfs/dbraw/zinc/85/47/55/598854755.db2.gz DZLSHCROVMQASA-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000736902965 598863150 /nfs/dbraw/zinc/86/31/50/598863150.db2.gz WWUJVMZTDKBLON-DYVFJYSZSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000736902965 598863151 /nfs/dbraw/zinc/86/31/51/598863151.db2.gz WWUJVMZTDKBLON-DYVFJYSZSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000736902965 598863153 /nfs/dbraw/zinc/86/31/53/598863153.db2.gz WWUJVMZTDKBLON-DYVFJYSZSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000736902965 598863155 /nfs/dbraw/zinc/86/31/55/598863155.db2.gz WWUJVMZTDKBLON-DYVFJYSZSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000736902975 598864165 /nfs/dbraw/zinc/86/41/65/598864165.db2.gz WYJCGGSTPFCGOG-ROUUACIJSA-N 0 3 399.499 0.793 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000736902975 598864166 /nfs/dbraw/zinc/86/41/66/598864166.db2.gz WYJCGGSTPFCGOG-ROUUACIJSA-N 0 3 399.499 0.793 20 0 GCADHN C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC000736759281 598881554 /nfs/dbraw/zinc/88/15/54/598881554.db2.gz LQHKRXJXBCWUGQ-UHFFFAOYSA-N 0 3 391.407 0.171 20 0 GCADHN C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC000736759281 598881558 /nfs/dbraw/zinc/88/15/58/598881558.db2.gz LQHKRXJXBCWUGQ-UHFFFAOYSA-N 0 3 391.407 0.171 20 0 GCADHN O[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1c(F)cccc1F ZINC000738382481 599011635 /nfs/dbraw/zinc/01/16/35/599011635.db2.gz REPJRLMSECPAAJ-ZANVPECISA-N 0 3 376.371 0.706 20 0 GCADHN O[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1c(F)cccc1F ZINC000738382481 599011637 /nfs/dbraw/zinc/01/16/37/599011637.db2.gz REPJRLMSECPAAJ-ZANVPECISA-N 0 3 376.371 0.706 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]Cc1ccc(C3OCCO3)cc1)C2 ZINC000738413062 599011392 /nfs/dbraw/zinc/01/13/92/599011392.db2.gz QPSKILSWGQVWFZ-CYBMUJFWSA-N 0 3 382.428 0.940 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]Cc1ccc(C3OCCO3)cc1)C2 ZINC000738413062 599011393 /nfs/dbraw/zinc/01/13/93/599011393.db2.gz QPSKILSWGQVWFZ-CYBMUJFWSA-N 0 3 382.428 0.940 20 0 GCADHN C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000736854436 599025680 /nfs/dbraw/zinc/02/56/80/599025680.db2.gz DNKITHKFGMQJNA-UHFFFAOYSA-N 0 3 393.835 0.032 20 0 GCADHN C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000736854436 599025682 /nfs/dbraw/zinc/02/56/82/599025682.db2.gz DNKITHKFGMQJNA-UHFFFAOYSA-N 0 3 393.835 0.032 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859764 599074668 /nfs/dbraw/zinc/07/46/68/599074668.db2.gz JBQSBDPOXIBZFW-ZWKOTPCHSA-N 0 3 398.515 0.495 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859764 599074671 /nfs/dbraw/zinc/07/46/71/599074671.db2.gz JBQSBDPOXIBZFW-ZWKOTPCHSA-N 0 3 398.515 0.495 20 0 GCADHN C[N@H+](CCCO)C1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736801736 599078249 /nfs/dbraw/zinc/07/82/49/599078249.db2.gz UPFBFVIYHYXLIM-GOSISDBHSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@@H+](CCCO)C1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736801736 599078252 /nfs/dbraw/zinc/07/82/52/599078252.db2.gz UPFBFVIYHYXLIM-GOSISDBHSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@H+](CCCO)C1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736801736 599078255 /nfs/dbraw/zinc/07/82/55/599078255.db2.gz UPFBFVIYHYXLIM-GOSISDBHSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@@H+](CCCO)C1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736801736 599078258 /nfs/dbraw/zinc/07/82/58/599078258.db2.gz UPFBFVIYHYXLIM-GOSISDBHSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@H+](CCCO)C1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736801812 599080674 /nfs/dbraw/zinc/08/06/74/599080674.db2.gz VQSFHJNOCITEFH-UHFFFAOYSA-N 0 3 387.488 0.262 20 0 GCADHN C[N@@H+](CCCO)C1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736801812 599080677 /nfs/dbraw/zinc/08/06/77/599080677.db2.gz VQSFHJNOCITEFH-UHFFFAOYSA-N 0 3 387.488 0.262 20 0 GCADHN C[N@H+](CCCO)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736801812 599080680 /nfs/dbraw/zinc/08/06/80/599080680.db2.gz VQSFHJNOCITEFH-UHFFFAOYSA-N 0 3 387.488 0.262 20 0 GCADHN C[N@@H+](CCCO)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736801812 599080682 /nfs/dbraw/zinc/08/06/82/599080682.db2.gz VQSFHJNOCITEFH-UHFFFAOYSA-N 0 3 387.488 0.262 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736855916 599082802 /nfs/dbraw/zinc/08/28/02/599082802.db2.gz IZCZCGWWCAQUKM-CQSZACIVSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736855916 599082804 /nfs/dbraw/zinc/08/28/04/599082804.db2.gz IZCZCGWWCAQUKM-CQSZACIVSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736855916 599082808 /nfs/dbraw/zinc/08/28/08/599082808.db2.gz IZCZCGWWCAQUKM-CQSZACIVSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736855916 599082810 /nfs/dbraw/zinc/08/28/10/599082810.db2.gz IZCZCGWWCAQUKM-CQSZACIVSA-N 0 3 391.501 0.267 20 0 GCADHN CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000736858148 599104327 /nfs/dbraw/zinc/10/43/27/599104327.db2.gz PWEBPAWQAMKLDG-AWEZNQCLSA-N 0 3 381.444 0.801 20 0 GCADHN CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000736858148 599104330 /nfs/dbraw/zinc/10/43/30/599104330.db2.gz PWEBPAWQAMKLDG-AWEZNQCLSA-N 0 3 381.444 0.801 20 0 GCADHN O=C(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737839444 599145639 /nfs/dbraw/zinc/14/56/39/599145639.db2.gz SJEYXZVWPUJHCB-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@H](CN2CCOCC2)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737839444 599145640 /nfs/dbraw/zinc/14/56/40/599145640.db2.gz SJEYXZVWPUJHCB-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737839444 599145641 /nfs/dbraw/zinc/14/56/41/599145641.db2.gz SJEYXZVWPUJHCB-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@H](CN2CCOCC2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737839444 599145642 /nfs/dbraw/zinc/14/56/42/599145642.db2.gz SJEYXZVWPUJHCB-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858144 599148096 /nfs/dbraw/zinc/14/80/96/599148096.db2.gz PTOOIPWMODYYAI-KRWDZBQOSA-N 0 3 384.488 0.788 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858144 599148097 /nfs/dbraw/zinc/14/80/97/599148097.db2.gz PTOOIPWMODYYAI-KRWDZBQOSA-N 0 3 384.488 0.788 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736859274 599149634 /nfs/dbraw/zinc/14/96/34/599149634.db2.gz YKJCXQJIWDMHOO-INIZCTEOSA-N 0 3 398.471 0.044 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736859274 599149635 /nfs/dbraw/zinc/14/96/35/599149635.db2.gz YKJCXQJIWDMHOO-INIZCTEOSA-N 0 3 398.471 0.044 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000736759858 599202557 /nfs/dbraw/zinc/20/25/57/599202557.db2.gz XUWOQSHFUIHOQH-SJORKVTESA-N 0 3 385.472 0.625 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821351197 607279005 /nfs/dbraw/zinc/27/90/05/607279005.db2.gz MZJDQJPPOAKXIK-ZDUSSCGKSA-N 0 3 389.460 0.587 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821351197 607279006 /nfs/dbraw/zinc/27/90/06/607279006.db2.gz MZJDQJPPOAKXIK-ZDUSSCGKSA-N 0 3 389.460 0.587 20 0 GCADHN C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821622118 607340617 /nfs/dbraw/zinc/34/06/17/607340617.db2.gz SKGSNZKFXIPLJL-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821622118 607340619 /nfs/dbraw/zinc/34/06/19/607340619.db2.gz SKGSNZKFXIPLJL-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821160562 607342368 /nfs/dbraw/zinc/34/23/68/607342368.db2.gz MUCHWNJGOJBVQT-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821160562 607342369 /nfs/dbraw/zinc/34/23/69/607342369.db2.gz MUCHWNJGOJBVQT-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821160562 607342370 /nfs/dbraw/zinc/34/23/70/607342370.db2.gz MUCHWNJGOJBVQT-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821160562 607342371 /nfs/dbraw/zinc/34/23/71/607342371.db2.gz MUCHWNJGOJBVQT-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3F)CC[C@H]21 ZINC000821625845 607344540 /nfs/dbraw/zinc/34/45/40/607344540.db2.gz WVTLJHPNVQWMDN-SWLSCSKDSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3F)CC[C@H]21 ZINC000821625845 607344542 /nfs/dbraw/zinc/34/45/42/607344542.db2.gz WVTLJHPNVQWMDN-SWLSCSKDSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3F)CC[C@H]21 ZINC000821625845 607344544 /nfs/dbraw/zinc/34/45/44/607344544.db2.gz WVTLJHPNVQWMDN-SWLSCSKDSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3F)CC[C@H]21 ZINC000821625845 607344546 /nfs/dbraw/zinc/34/45/46/607344546.db2.gz WVTLJHPNVQWMDN-SWLSCSKDSA-N 0 3 387.419 0.887 20 0 GCADHN CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736846772 598239914 /nfs/dbraw/zinc/23/99/14/598239914.db2.gz BODWTPDMNCXHGI-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736846772 598239916 /nfs/dbraw/zinc/23/99/16/598239916.db2.gz BODWTPDMNCXHGI-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736846772 598239917 /nfs/dbraw/zinc/23/99/17/598239917.db2.gz BODWTPDMNCXHGI-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736846772 598239919 /nfs/dbraw/zinc/23/99/19/598239919.db2.gz BODWTPDMNCXHGI-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737742043 598256052 /nfs/dbraw/zinc/25/60/52/598256052.db2.gz DTFQXHHCZWOWGT-HNNXBMFYSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737742043 598256053 /nfs/dbraw/zinc/25/60/53/598256053.db2.gz DTFQXHHCZWOWGT-HNNXBMFYSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737742043 598256054 /nfs/dbraw/zinc/25/60/54/598256054.db2.gz DTFQXHHCZWOWGT-HNNXBMFYSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737742043 598256055 /nfs/dbraw/zinc/25/60/55/598256055.db2.gz DTFQXHHCZWOWGT-HNNXBMFYSA-N 0 3 386.460 0.253 20 0 GCADHN C[N@H+](CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC000736800302 598257688 /nfs/dbraw/zinc/25/76/88/598257688.db2.gz JIBMFGRQVYFVPN-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[N@@H+](CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC000736800302 598257689 /nfs/dbraw/zinc/25/76/89/598257689.db2.gz JIBMFGRQVYFVPN-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[N@H+](CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC000736800302 598257690 /nfs/dbraw/zinc/25/76/90/598257690.db2.gz JIBMFGRQVYFVPN-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[N@@H+](CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC000736800302 598257691 /nfs/dbraw/zinc/25/76/91/598257691.db2.gz JIBMFGRQVYFVPN-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CC1 ZINC000736758806 598258665 /nfs/dbraw/zinc/25/86/65/598258665.db2.gz INHUAUMGLOTTHE-HNNXBMFYSA-N 0 3 381.444 0.705 20 0 GCADHN C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CC1 ZINC000736758806 598258666 /nfs/dbraw/zinc/25/86/66/598258666.db2.gz INHUAUMGLOTTHE-HNNXBMFYSA-N 0 3 381.444 0.705 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)[N@H+](C)C1CC1 ZINC000736018957 598270317 /nfs/dbraw/zinc/27/03/17/598270317.db2.gz YDAFBTIAYAITIR-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)[N@@H+](C)C1CC1 ZINC000736018957 598270318 /nfs/dbraw/zinc/27/03/18/598270318.db2.gz YDAFBTIAYAITIR-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)[N@H+](C)C1CC1 ZINC000736018957 598270319 /nfs/dbraw/zinc/27/03/19/598270319.db2.gz YDAFBTIAYAITIR-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)[N@@H+](C)C1CC1 ZINC000736018957 598270320 /nfs/dbraw/zinc/27/03/20/598270320.db2.gz YDAFBTIAYAITIR-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738041661 598330361 /nfs/dbraw/zinc/33/03/61/598330361.db2.gz TYIYFKRLJRTPCN-UHFFFAOYSA-N 0 3 399.455 0.566 20 0 GCADHN CN1CCN(C[C@H]2CN(c3nc4c(cc3-c3nn[nH]n3)CCC4)CCO2)CC1 ZINC000736865309 598337233 /nfs/dbraw/zinc/33/72/33/598337233.db2.gz YLNDEVOGNIHWEI-HNNXBMFYSA-N 0 3 384.488 0.203 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736142214 598347918 /nfs/dbraw/zinc/34/79/18/598347918.db2.gz DKXUYGJXNMABQJ-CQSZACIVSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736142214 598347920 /nfs/dbraw/zinc/34/79/20/598347920.db2.gz DKXUYGJXNMABQJ-CQSZACIVSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736142214 598347922 /nfs/dbraw/zinc/34/79/22/598347922.db2.gz DKXUYGJXNMABQJ-CQSZACIVSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736142214 598347926 /nfs/dbraw/zinc/34/79/26/598347926.db2.gz DKXUYGJXNMABQJ-CQSZACIVSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736142209 598348021 /nfs/dbraw/zinc/34/80/21/598348021.db2.gz DKXUYGJXNMABQJ-AWEZNQCLSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736142209 598348023 /nfs/dbraw/zinc/34/80/23/598348023.db2.gz DKXUYGJXNMABQJ-AWEZNQCLSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736142209 598348024 /nfs/dbraw/zinc/34/80/24/598348024.db2.gz DKXUYGJXNMABQJ-AWEZNQCLSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736142209 598348029 /nfs/dbraw/zinc/34/80/29/598348029.db2.gz DKXUYGJXNMABQJ-AWEZNQCLSA-N 0 3 387.488 0.260 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736705117 598349167 /nfs/dbraw/zinc/34/91/67/598349167.db2.gz FMEQNUUNVUNNRH-SMDDNHRTSA-N 0 3 381.444 0.952 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736144608 598349282 /nfs/dbraw/zinc/34/92/82/598349282.db2.gz PLBJYSAAJQSYEA-RHSMWYFYSA-N 0 3 390.488 0.383 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736144608 598349285 /nfs/dbraw/zinc/34/92/85/598349285.db2.gz PLBJYSAAJQSYEA-RHSMWYFYSA-N 0 3 390.488 0.383 20 0 GCADHN Cc1oc(NC(=O)CN2CCC([N@H+](C)CCO)CC2)c(-c2nnn[n-]2)c1C ZINC000737551104 598350423 /nfs/dbraw/zinc/35/04/23/598350423.db2.gz FQRGAOGEQGLKSN-UHFFFAOYSA-N 0 3 377.449 0.404 20 0 GCADHN Cc1oc(NC(=O)CN2CCC([N@@H+](C)CCO)CC2)c(-c2nnn[n-]2)c1C ZINC000737551104 598350426 /nfs/dbraw/zinc/35/04/26/598350426.db2.gz FQRGAOGEQGLKSN-UHFFFAOYSA-N 0 3 377.449 0.404 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000738387216 598352723 /nfs/dbraw/zinc/35/27/23/598352723.db2.gz OERUARYHYKZUOA-ZBFHGGJFSA-N 0 3 384.444 0.610 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000738387216 598352724 /nfs/dbraw/zinc/35/27/24/598352724.db2.gz OERUARYHYKZUOA-ZBFHGGJFSA-N 0 3 384.444 0.610 20 0 GCADHN CN1CCN(C[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)CCO2)CC1 ZINC000736862397 598353052 /nfs/dbraw/zinc/35/30/52/598353052.db2.gz CDANOGPZQLABMB-MRXNPFEDSA-N 0 3 375.452 0.454 20 0 GCADHN CN1CCN(C[C@H]2CN(CCOc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000736862813 598353547 /nfs/dbraw/zinc/35/35/47/598353547.db2.gz FXJUDWCGYANQFE-SFHVURJKSA-N 0 3 387.488 0.194 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000736143896 598375134 /nfs/dbraw/zinc/37/51/34/598375134.db2.gz LXHRODAQEQGKCV-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000736143896 598375136 /nfs/dbraw/zinc/37/51/36/598375136.db2.gz LXHRODAQEQGKCV-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000736143896 598375138 /nfs/dbraw/zinc/37/51/38/598375138.db2.gz LXHRODAQEQGKCV-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000736143896 598375140 /nfs/dbraw/zinc/37/51/40/598375140.db2.gz LXHRODAQEQGKCV-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736802324 598375818 /nfs/dbraw/zinc/37/58/18/598375818.db2.gz QASRXQZEYWQBEP-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736802324 598375820 /nfs/dbraw/zinc/37/58/20/598375820.db2.gz QASRXQZEYWQBEP-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736802324 598375822 /nfs/dbraw/zinc/37/58/22/598375822.db2.gz QASRXQZEYWQBEP-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736802324 598375824 /nfs/dbraw/zinc/37/58/24/598375824.db2.gz QASRXQZEYWQBEP-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN CC1CC[NH+](CCCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736275707 598397858 /nfs/dbraw/zinc/39/78/58/598397858.db2.gz IPQAHOCJULDBPQ-UHFFFAOYSA-N 0 3 385.472 0.835 20 0 GCADHN CC1CC[NH+](CCCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736275707 598397860 /nfs/dbraw/zinc/39/78/60/598397860.db2.gz IPQAHOCJULDBPQ-UHFFFAOYSA-N 0 3 385.472 0.835 20 0 GCADHN CC(C)(C)[NH+]1CCC(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735619559 598402267 /nfs/dbraw/zinc/40/22/67/598402267.db2.gz SXZHZZAQBDIKFK-UHFFFAOYSA-N 0 3 385.472 0.976 20 0 GCADHN CC(C)(C)[NH+]1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735619559 598402268 /nfs/dbraw/zinc/40/22/68/598402268.db2.gz SXZHZZAQBDIKFK-UHFFFAOYSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000736266886 598402635 /nfs/dbraw/zinc/40/26/35/598402635.db2.gz KTJCAOPTRAUMKC-KBPBESRZSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000736266886 598402637 /nfs/dbraw/zinc/40/26/37/598402637.db2.gz KTJCAOPTRAUMKC-KBPBESRZSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000736266886 598402640 /nfs/dbraw/zinc/40/26/40/598402640.db2.gz KTJCAOPTRAUMKC-KBPBESRZSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000736266886 598402642 /nfs/dbraw/zinc/40/26/42/598402642.db2.gz KTJCAOPTRAUMKC-KBPBESRZSA-N 0 3 385.472 0.976 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000737889111 598403599 /nfs/dbraw/zinc/40/35/99/598403599.db2.gz JWUAZPQODHLHQT-UHFFFAOYSA-N 0 3 383.456 0.587 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000737889111 598403601 /nfs/dbraw/zinc/40/36/01/598403601.db2.gz JWUAZPQODHLHQT-UHFFFAOYSA-N 0 3 383.456 0.587 20 0 GCADHN O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738078000 598484376 /nfs/dbraw/zinc/48/43/76/598484376.db2.gz KXZTYTPOWQBWDD-AWEZNQCLSA-N 0 3 385.476 0.943 20 0 GCADHN O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738078000 598484377 /nfs/dbraw/zinc/48/43/77/598484377.db2.gz KXZTYTPOWQBWDD-AWEZNQCLSA-N 0 3 385.476 0.943 20 0 GCADHN CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000819997316 607359611 /nfs/dbraw/zinc/35/96/11/607359611.db2.gz SVYDTRAQLKVSHY-HNNXBMFYSA-N 0 3 388.472 0.987 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]Cc1ccc(N3CCOCC3)nc1)C2 ZINC000738412920 598520627 /nfs/dbraw/zinc/52/06/27/598520627.db2.gz JCZVKLAOPPQTGF-AWEZNQCLSA-N 0 3 396.459 0.126 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]Cc1ccc(N3CCOCC3)nc1)C2 ZINC000738412920 598520628 /nfs/dbraw/zinc/52/06/28/598520628.db2.gz JCZVKLAOPPQTGF-AWEZNQCLSA-N 0 3 396.459 0.126 20 0 GCADHN c1ncn(Cc2ccccc2C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000738437131 598522353 /nfs/dbraw/zinc/52/23/53/598522353.db2.gz ZGMRGWULKSFOCY-ZDUSSCGKSA-N 0 3 391.443 0.535 20 0 GCADHN c1ncn(Cc2ccccc2C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000738437131 598522354 /nfs/dbraw/zinc/52/23/54/598522354.db2.gz ZGMRGWULKSFOCY-ZDUSSCGKSA-N 0 3 391.443 0.535 20 0 GCADHN COCCOc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737015929 598523108 /nfs/dbraw/zinc/52/31/08/598523108.db2.gz RFOXEPARWNIMLI-CQSZACIVSA-N 0 3 384.444 0.920 20 0 GCADHN COCCOc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737015929 598523110 /nfs/dbraw/zinc/52/31/10/598523110.db2.gz RFOXEPARWNIMLI-CQSZACIVSA-N 0 3 384.444 0.920 20 0 GCADHN CCNC(=O)c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736577746 598524601 /nfs/dbraw/zinc/52/46/01/598524601.db2.gz MPURBNIOPQEJLJ-CYBMUJFWSA-N 0 3 381.444 0.644 20 0 GCADHN CCNC(=O)c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736577746 598524602 /nfs/dbraw/zinc/52/46/02/598524602.db2.gz MPURBNIOPQEJLJ-CYBMUJFWSA-N 0 3 381.444 0.644 20 0 GCADHN O=C(NCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1F ZINC000738074697 598525084 /nfs/dbraw/zinc/52/50/84/598525084.db2.gz LWNBEVQGOKYMLP-NSHDSACASA-N 0 3 385.407 0.264 20 0 GCADHN O=C(NCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1F ZINC000738074697 598525086 /nfs/dbraw/zinc/52/50/86/598525086.db2.gz LWNBEVQGOKYMLP-NSHDSACASA-N 0 3 385.407 0.264 20 0 GCADHN O[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)COc1cccc(F)c1 ZINC000738380773 598525144 /nfs/dbraw/zinc/52/51/44/598525144.db2.gz HPFKJUVJMKXULM-AAEUAGOBSA-N 0 3 388.407 0.274 20 0 GCADHN O[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)COc1cccc(F)c1 ZINC000738380773 598525145 /nfs/dbraw/zinc/52/51/45/598525145.db2.gz HPFKJUVJMKXULM-AAEUAGOBSA-N 0 3 388.407 0.274 20 0 GCADHN O=C(NCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1F ZINC000738074695 598525225 /nfs/dbraw/zinc/52/52/25/598525225.db2.gz LWNBEVQGOKYMLP-LLVKDONJSA-N 0 3 385.407 0.264 20 0 GCADHN O=C(NCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1F ZINC000738074695 598525226 /nfs/dbraw/zinc/52/52/26/598525226.db2.gz LWNBEVQGOKYMLP-LLVKDONJSA-N 0 3 385.407 0.264 20 0 GCADHN COc1ccc(CNC(=O)C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737093673 598526049 /nfs/dbraw/zinc/52/60/49/598526049.db2.gz WOIIDLBUNNXBOI-ZDUSSCGKSA-N 0 3 397.443 0.020 20 0 GCADHN O[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)COc1ccc(F)cc1 ZINC000738384038 598526785 /nfs/dbraw/zinc/52/67/85/598526785.db2.gz ZGZDWJYWGGNLLT-AAEUAGOBSA-N 0 3 388.407 0.274 20 0 GCADHN O[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)COc1ccc(F)cc1 ZINC000738384038 598526788 /nfs/dbraw/zinc/52/67/88/598526788.db2.gz ZGZDWJYWGGNLLT-AAEUAGOBSA-N 0 3 388.407 0.274 20 0 GCADHN O[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)COc1ccc(F)cc1 ZINC000738384045 598526851 /nfs/dbraw/zinc/52/68/51/598526851.db2.gz ZGZDWJYWGGNLLT-DGCLKSJQSA-N 0 3 388.407 0.274 20 0 GCADHN O[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)COc1ccc(F)cc1 ZINC000738384045 598526853 /nfs/dbraw/zinc/52/68/53/598526853.db2.gz ZGZDWJYWGGNLLT-DGCLKSJQSA-N 0 3 388.407 0.274 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1Cc1ccccc1 ZINC000738288109 598528516 /nfs/dbraw/zinc/52/85/16/598528516.db2.gz AQPMEKNGOGVQHN-HOCLYGCPSA-N 0 3 393.455 0.496 20 0 GCADHN COc1cccc2c1OC[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000737142739 598529795 /nfs/dbraw/zinc/52/97/95/598529795.db2.gz MGFZSEYACZRJGJ-YPMHNXCESA-N 0 3 382.428 0.707 20 0 GCADHN COc1cccc2c1OC[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000737142739 598529797 /nfs/dbraw/zinc/52/97/97/598529797.db2.gz MGFZSEYACZRJGJ-YPMHNXCESA-N 0 3 382.428 0.707 20 0 GCADHN CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735635353 598530342 /nfs/dbraw/zinc/53/03/42/598530342.db2.gz CFUXUHSJXBMAGW-LLVKDONJSA-N 0 3 377.453 0.609 20 0 GCADHN CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735635353 598530343 /nfs/dbraw/zinc/53/03/43/598530343.db2.gz CFUXUHSJXBMAGW-LLVKDONJSA-N 0 3 377.453 0.609 20 0 GCADHN COC1CCN(C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736962770 598531886 /nfs/dbraw/zinc/53/18/86/598531886.db2.gz REQGVKBTASGBOW-ZDUSSCGKSA-N 0 3 389.508 0.584 20 0 GCADHN COC1CCN(C(C)(C)C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736962770 598531888 /nfs/dbraw/zinc/53/18/88/598531888.db2.gz REQGVKBTASGBOW-ZDUSSCGKSA-N 0 3 389.508 0.584 20 0 GCADHN CCOC(=O)N[C@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)CC(C)C ZINC000736600188 598531904 /nfs/dbraw/zinc/53/19/04/598531904.db2.gz KQWMSYVLENRFNO-STQMWFEESA-N 0 3 391.480 0.855 20 0 GCADHN CCOC(=O)N[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)CC(C)C ZINC000736600188 598531906 /nfs/dbraw/zinc/53/19/06/598531906.db2.gz KQWMSYVLENRFNO-STQMWFEESA-N 0 3 391.480 0.855 20 0 GCADHN C[NH+](C)CCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736767935 598563852 /nfs/dbraw/zinc/56/38/52/598563852.db2.gz UQYKFWLNGPKYOA-UHFFFAOYSA-N 0 3 383.359 0.475 20 0 GCADHN C[NH+](C)CCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736767935 598563853 /nfs/dbraw/zinc/56/38/53/598563853.db2.gz UQYKFWLNGPKYOA-UHFFFAOYSA-N 0 3 383.359 0.475 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736744904 598569431 /nfs/dbraw/zinc/56/94/31/598569431.db2.gz DAVBQUYXLMIWIB-UHFFFAOYSA-N 0 3 385.472 0.468 20 0 GCADHN C[NH+](C)[C@H]1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736757093 598600322 /nfs/dbraw/zinc/60/03/22/598600322.db2.gz OIWGYPCKVBEGAL-HNNXBMFYSA-N 0 3 384.444 0.224 20 0 GCADHN C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCCC1 ZINC000736759270 598635295 /nfs/dbraw/zinc/63/52/95/598635295.db2.gz LKVZNCSKKJKFNK-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC000736759270 598635297 /nfs/dbraw/zinc/63/52/97/598635297.db2.gz LKVZNCSKKJKFNK-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738066893 598636019 /nfs/dbraw/zinc/63/60/19/598636019.db2.gz TVKQRXQWGUNSIL-UHFFFAOYSA-N 0 3 375.408 0.937 20 0 GCADHN O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738066893 598636020 /nfs/dbraw/zinc/63/60/20/598636020.db2.gz TVKQRXQWGUNSIL-UHFFFAOYSA-N 0 3 375.408 0.937 20 0 GCADHN C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736265361 598636815 /nfs/dbraw/zinc/63/68/15/598636815.db2.gz IMCSQXRGTNDUJP-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736265361 598636817 /nfs/dbraw/zinc/63/68/17/598636817.db2.gz IMCSQXRGTNDUJP-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C[NH+]1CCCC1 ZINC000736008894 598637664 /nfs/dbraw/zinc/63/76/64/598637664.db2.gz CIVUPPYEWBKHIJ-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C[NH+]1CCCC1 ZINC000736008894 598637666 /nfs/dbraw/zinc/63/76/66/598637666.db2.gz CIVUPPYEWBKHIJ-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000738162779 598639482 /nfs/dbraw/zinc/63/94/82/598639482.db2.gz MNODHUCLAJHJKU-UHFFFAOYSA-N 0 3 396.386 0.688 20 0 GCADHN O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000738162779 598639485 /nfs/dbraw/zinc/63/94/85/598639485.db2.gz MNODHUCLAJHJKU-UHFFFAOYSA-N 0 3 396.386 0.688 20 0 GCADHN O=C1CCCN1C[C@@H](O)CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738301521 598728457 /nfs/dbraw/zinc/72/84/57/598728457.db2.gz BIOYNZMMHLYYDG-HNNXBMFYSA-N 0 3 386.456 0.693 20 0 GCADHN O=C1[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1c1ccccc1F ZINC000738294971 598778510 /nfs/dbraw/zinc/77/85/10/598778510.db2.gz GRLTXGPAQNLFIT-SMDDNHRTSA-N 0 3 397.418 0.639 20 0 GCADHN CC[N@H+](CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CC1 ZINC000736536294 598821097 /nfs/dbraw/zinc/82/10/97/598821097.db2.gz HUZRLFVTQNJTMN-UHFFFAOYSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@@H+](CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CC1 ZINC000736536294 598821099 /nfs/dbraw/zinc/82/10/99/598821099.db2.gz HUZRLFVTQNJTMN-UHFFFAOYSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@H+](CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CC1 ZINC000736536294 598821101 /nfs/dbraw/zinc/82/11/01/598821101.db2.gz HUZRLFVTQNJTMN-UHFFFAOYSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@@H+](CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CC1 ZINC000736536294 598821103 /nfs/dbraw/zinc/82/11/03/598821103.db2.gz HUZRLFVTQNJTMN-UHFFFAOYSA-N 0 3 381.444 0.849 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccc(F)cc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000735465764 599297708 /nfs/dbraw/zinc/29/77/08/599297708.db2.gz NARVUZPVPDVLHT-FZKQIMNGSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccc(F)cc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000735465764 599297710 /nfs/dbraw/zinc/29/77/10/599297710.db2.gz NARVUZPVPDVLHT-FZKQIMNGSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](CCOc3cccc(-c4nnn[n-]4)c3)C[C@H]2C)CC1 ZINC000735464659 599298301 /nfs/dbraw/zinc/29/83/01/599298301.db2.gz CQATYKYVWWDJGM-DNVCBOLYSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](CCOc3cccc(-c4nnn[n-]4)c3)C[C@H]2C)CC1 ZINC000735464659 599298302 /nfs/dbraw/zinc/29/83/02/599298302.db2.gz CQATYKYVWWDJGM-DNVCBOLYSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](CCOc3cccc(-c4nn[n-]n4)c3)C[C@H]2C)CC1 ZINC000735464659 599298304 /nfs/dbraw/zinc/29/83/04/599298304.db2.gz CQATYKYVWWDJGM-DNVCBOLYSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](CCOc3cccc(-c4nn[n-]n4)c3)C[C@H]2C)CC1 ZINC000735464659 599298306 /nfs/dbraw/zinc/29/83/06/599298306.db2.gz CQATYKYVWWDJGM-DNVCBOLYSA-N 0 3 399.499 0.730 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000736281484 599298458 /nfs/dbraw/zinc/29/84/58/599298458.db2.gz SJHUPMDNUYNAGN-NOZJJQNGSA-N 0 3 377.836 0.867 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000736281484 599298460 /nfs/dbraw/zinc/29/84/60/599298460.db2.gz SJHUPMDNUYNAGN-NOZJJQNGSA-N 0 3 377.836 0.867 20 0 GCADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736409585 599300804 /nfs/dbraw/zinc/30/08/04/599300804.db2.gz MINMAGAYRZVYMR-WOSRLPQWSA-N 0 3 399.503 0.732 20 0 GCADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736409585 599300808 /nfs/dbraw/zinc/30/08/08/599300808.db2.gz MINMAGAYRZVYMR-WOSRLPQWSA-N 0 3 399.503 0.732 20 0 GCADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736409588 599300856 /nfs/dbraw/zinc/30/08/56/599300856.db2.gz MINMAGAYRZVYMR-XJKCOSOUSA-N 0 3 399.503 0.732 20 0 GCADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736409588 599300859 /nfs/dbraw/zinc/30/08/59/599300859.db2.gz MINMAGAYRZVYMR-XJKCOSOUSA-N 0 3 399.503 0.732 20 0 GCADHN CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820028152 599313647 /nfs/dbraw/zinc/31/36/47/599313647.db2.gz VQRRIEBNWZQCCL-MRXNPFEDSA-N 0 3 388.476 0.583 20 0 GCADHN CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820028152 599313649 /nfs/dbraw/zinc/31/36/49/599313649.db2.gz VQRRIEBNWZQCCL-MRXNPFEDSA-N 0 3 388.476 0.583 20 0 GCADHN CCN1CCO[C@@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570290 599318612 /nfs/dbraw/zinc/31/86/12/599318612.db2.gz XRSKDNUGTGGHNL-GOSISDBHSA-N 0 3 399.499 0.622 20 0 GCADHN O=C(COc1ccccc1-c1nnn[n-]1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000737924402 599391859 /nfs/dbraw/zinc/39/18/59/599391859.db2.gz DMTHYMRJUMWNJB-AWEZNQCLSA-N 0 3 386.456 0.863 20 0 GCADHN O=C(COc1ccccc1-c1nn[n-]n1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000737924402 599391862 /nfs/dbraw/zinc/39/18/62/599391862.db2.gz DMTHYMRJUMWNJB-AWEZNQCLSA-N 0 3 386.456 0.863 20 0 GCADHN COc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1-c1nnn[n-]1 ZINC000821814148 599401825 /nfs/dbraw/zinc/40/18/25/599401825.db2.gz VBXFWOQZDGEAJD-UHFFFAOYSA-N 0 3 388.453 0.855 20 0 GCADHN COc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1-c1nn[n-]n1 ZINC000821814148 599401827 /nfs/dbraw/zinc/40/18/27/599401827.db2.gz VBXFWOQZDGEAJD-UHFFFAOYSA-N 0 3 388.453 0.855 20 0 GCADHN C[NH+](C)C1(CNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000821581397 599444220 /nfs/dbraw/zinc/44/42/20/599444220.db2.gz KFWBCAMKFIWYDM-UHFFFAOYSA-N 0 3 389.460 0.656 20 0 GCADHN Cn1cc(N2CCC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)cn1 ZINC000822679947 599450079 /nfs/dbraw/zinc/45/00/79/599450079.db2.gz KKTSPWFZQSQJJL-QWHCGFSZSA-N 0 3 383.464 0.097 20 0 GCADHN Cn1cc(N2CCC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)cn1 ZINC000822679947 599450080 /nfs/dbraw/zinc/45/00/80/599450080.db2.gz KKTSPWFZQSQJJL-QWHCGFSZSA-N 0 3 383.464 0.097 20 0 GCADHN Cn1cc(N2CCC[C@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)cn1 ZINC000822679954 599450093 /nfs/dbraw/zinc/45/00/93/599450093.db2.gz KKTSPWFZQSQJJL-STQMWFEESA-N 0 3 383.464 0.097 20 0 GCADHN Cn1cc(N2CCC[C@H]([NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)cn1 ZINC000822679954 599450094 /nfs/dbraw/zinc/45/00/94/599450094.db2.gz KKTSPWFZQSQJJL-STQMWFEESA-N 0 3 383.464 0.097 20 0 GCADHN CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736566362 599510730 /nfs/dbraw/zinc/51/07/30/599510730.db2.gz ZGWWVGPVQLXSQQ-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736566362 599510732 /nfs/dbraw/zinc/51/07/32/599510732.db2.gz ZGWWVGPVQLXSQQ-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000736637224 599513780 /nfs/dbraw/zinc/51/37/80/599513780.db2.gz UGWGZWUQLYYFPU-UHFFFAOYSA-N 0 3 387.444 0.662 20 0 GCADHN C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CCOCC1 ZINC000821581453 599557678 /nfs/dbraw/zinc/55/76/78/599557678.db2.gz LUBRQZXRKLWHRR-UHFFFAOYSA-N 0 3 381.462 0.037 20 0 GCADHN C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CCOCC1 ZINC000821581453 599557681 /nfs/dbraw/zinc/55/76/81/599557681.db2.gz LUBRQZXRKLWHRR-UHFFFAOYSA-N 0 3 381.462 0.037 20 0 GCADHN C[NH+](C)[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736756789 599578428 /nfs/dbraw/zinc/57/84/28/599578428.db2.gz LVQWEMZDKIWPOC-DNVCBOLYSA-N 0 3 398.471 0.617 20 0 GCADHN C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000736224474 599580482 /nfs/dbraw/zinc/58/04/82/599580482.db2.gz SEGQRKCIGOTJOR-BEFAXECRSA-N 0 3 396.455 0.371 20 0 GCADHN C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000736224474 599580484 /nfs/dbraw/zinc/58/04/84/599580484.db2.gz SEGQRKCIGOTJOR-BEFAXECRSA-N 0 3 396.455 0.371 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C1 ZINC000736759535 599581553 /nfs/dbraw/zinc/58/15/53/599581553.db2.gz UDRVMEHYLNKZKH-AWEZNQCLSA-N 0 3 398.471 0.472 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000736759535 599581557 /nfs/dbraw/zinc/58/15/57/599581557.db2.gz UDRVMEHYLNKZKH-AWEZNQCLSA-N 0 3 398.471 0.472 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000823696282 599586063 /nfs/dbraw/zinc/58/60/63/599586063.db2.gz CDBOFTWYFVCLPH-IRXDYDNUSA-N 0 3 388.472 0.403 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000823696282 599586065 /nfs/dbraw/zinc/58/60/65/599586065.db2.gz CDBOFTWYFVCLPH-IRXDYDNUSA-N 0 3 388.472 0.403 20 0 GCADHN CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821161063 599617615 /nfs/dbraw/zinc/61/76/15/599617615.db2.gz UJOJPIYJGABMSH-GFCCVEGCSA-N 0 3 387.444 0.614 20 0 GCADHN CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821161063 599617617 /nfs/dbraw/zinc/61/76/17/599617617.db2.gz UJOJPIYJGABMSH-GFCCVEGCSA-N 0 3 387.444 0.614 20 0 GCADHN CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821161063 599617619 /nfs/dbraw/zinc/61/76/19/599617619.db2.gz UJOJPIYJGABMSH-GFCCVEGCSA-N 0 3 387.444 0.614 20 0 GCADHN CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821161063 599617620 /nfs/dbraw/zinc/61/76/20/599617620.db2.gz UJOJPIYJGABMSH-GFCCVEGCSA-N 0 3 387.444 0.614 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000822963955 599643338 /nfs/dbraw/zinc/64/33/38/599643338.db2.gz BMKSVTLSYAAYBO-OAHLLOKOSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@@H]1CN1CCOCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000822963955 599643339 /nfs/dbraw/zinc/64/33/39/599643339.db2.gz BMKSVTLSYAAYBO-OAHLLOKOSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000822963955 599643340 /nfs/dbraw/zinc/64/33/40/599643340.db2.gz BMKSVTLSYAAYBO-OAHLLOKOSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@@H]1CN1CCOCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000822963955 599643341 /nfs/dbraw/zinc/64/33/41/599643341.db2.gz BMKSVTLSYAAYBO-OAHLLOKOSA-N 0 3 385.472 0.992 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820994163 599668828 /nfs/dbraw/zinc/66/88/28/599668828.db2.gz FQJODWAOIRDPHZ-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820994163 599668829 /nfs/dbraw/zinc/66/88/29/599668829.db2.gz FQJODWAOIRDPHZ-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820994163 599668830 /nfs/dbraw/zinc/66/88/30/599668830.db2.gz FQJODWAOIRDPHZ-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820994163 599668831 /nfs/dbraw/zinc/66/88/31/599668831.db2.gz FQJODWAOIRDPHZ-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821268401 599675681 /nfs/dbraw/zinc/67/56/81/599675681.db2.gz VZSJISDLZFKCJO-OAHLLOKOSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821268401 599675682 /nfs/dbraw/zinc/67/56/82/599675682.db2.gz VZSJISDLZFKCJO-OAHLLOKOSA-N 0 3 385.476 0.578 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC[N@@H+]1C ZINC000820658218 599676164 /nfs/dbraw/zinc/67/61/64/599676164.db2.gz RCTWGHWTHQPKBP-HIFRSBDPSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC[N@H+]1C ZINC000820658218 599676165 /nfs/dbraw/zinc/67/61/65/599676165.db2.gz RCTWGHWTHQPKBP-HIFRSBDPSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC[N@@H+]1C ZINC000820658218 599676166 /nfs/dbraw/zinc/67/61/66/599676166.db2.gz RCTWGHWTHQPKBP-HIFRSBDPSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC[N@H+]1C ZINC000820658218 599676167 /nfs/dbraw/zinc/67/61/67/599676167.db2.gz RCTWGHWTHQPKBP-HIFRSBDPSA-N 0 3 385.476 0.576 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825851189 607525133 /nfs/dbraw/zinc/52/51/33/607525133.db2.gz UWMSOVPLWMDBIB-IKGGRYGDSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825851189 607525135 /nfs/dbraw/zinc/52/51/35/607525135.db2.gz UWMSOVPLWMDBIB-IKGGRYGDSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825851185 607525478 /nfs/dbraw/zinc/52/54/78/607525478.db2.gz UWMSOVPLWMDBIB-BRWVUGGUSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825851185 607525480 /nfs/dbraw/zinc/52/54/80/607525480.db2.gz UWMSOVPLWMDBIB-BRWVUGGUSA-N 0 3 385.472 0.989 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000824427750 607538757 /nfs/dbraw/zinc/53/87/57/607538757.db2.gz OCWQXANAEIYHNP-NWDGAFQWSA-N 0 3 391.480 0.855 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000824427750 607538759 /nfs/dbraw/zinc/53/87/59/607538759.db2.gz OCWQXANAEIYHNP-NWDGAFQWSA-N 0 3 391.480 0.855 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825856170 607555958 /nfs/dbraw/zinc/55/59/58/607555958.db2.gz QDXPNNSMMCQBQY-VHDGCEQUSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825856170 607555960 /nfs/dbraw/zinc/55/59/60/607555960.db2.gz QDXPNNSMMCQBQY-VHDGCEQUSA-N 0 3 392.485 0.739 20 0 GCADHN COc1ccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1-c1nnn[n-]1 ZINC000826198299 607625321 /nfs/dbraw/zinc/62/53/21/607625321.db2.gz UJIUEUPLPTWVQB-ZDUSSCGKSA-N 0 3 375.433 0.347 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000825848415 607633687 /nfs/dbraw/zinc/63/36/87/607633687.db2.gz COBRPFCOCLACOL-IXDOHACOSA-N 0 3 385.472 0.989 20 0 GCADHN O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000826487000 607633970 /nfs/dbraw/zinc/63/39/70/607633970.db2.gz ZPDBTHHJQZVNSF-MRXNPFEDSA-N 0 3 394.501 0.523 20 0 GCADHN O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000826487000 607633971 /nfs/dbraw/zinc/63/39/71/607633971.db2.gz ZPDBTHHJQZVNSF-MRXNPFEDSA-N 0 3 394.501 0.523 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000826279900 607633993 /nfs/dbraw/zinc/63/39/93/607633993.db2.gz GTGNANVGWHXUQV-HNNXBMFYSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000826279900 607633994 /nfs/dbraw/zinc/63/39/94/607633994.db2.gz GTGNANVGWHXUQV-HNNXBMFYSA-N 0 3 394.501 0.690 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825923527 607637851 /nfs/dbraw/zinc/63/78/51/607637851.db2.gz LEJBCOUKMSUKHW-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825923527 607637852 /nfs/dbraw/zinc/63/78/52/607637852.db2.gz LEJBCOUKMSUKHW-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825923527 607637853 /nfs/dbraw/zinc/63/78/53/607637853.db2.gz LEJBCOUKMSUKHW-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825923527 607637854 /nfs/dbraw/zinc/63/78/54/607637854.db2.gz LEJBCOUKMSUKHW-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)c1-c1nnn[n-]1 ZINC000826301504 607638605 /nfs/dbraw/zinc/63/86/05/607638605.db2.gz GZYNOPKQKNKPGS-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@@H+](C)CCCO)CC2)c1-c1nnn[n-]1 ZINC000826301504 607638607 /nfs/dbraw/zinc/63/86/07/607638607.db2.gz GZYNOPKQKNKPGS-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)c1-c1nn[n-]n1 ZINC000826301504 607638609 /nfs/dbraw/zinc/63/86/09/607638609.db2.gz GZYNOPKQKNKPGS-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@@H+](C)CCCO)CC2)c1-c1nn[n-]n1 ZINC000826301504 607638611 /nfs/dbraw/zinc/63/86/11/607638611.db2.gz GZYNOPKQKNKPGS-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000824297428 607671916 /nfs/dbraw/zinc/67/19/16/607671916.db2.gz WIRRGDAQDCCIQW-UHFFFAOYSA-N 0 3 398.464 0.519 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000826504111 607749213 /nfs/dbraw/zinc/74/92/13/607749213.db2.gz NHEFPFZKOKAWJS-ZBFHGGJFSA-N 0 3 384.444 0.610 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000826504111 607749214 /nfs/dbraw/zinc/74/92/14/607749214.db2.gz NHEFPFZKOKAWJS-ZBFHGGJFSA-N 0 3 384.444 0.610 20 0 GCADHN C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821596872 606054881 /nfs/dbraw/zinc/05/48/81/606054881.db2.gz XFWMJPYIRDTNJL-OAHLLOKOSA-N 0 3 397.483 0.787 20 0 GCADHN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821596872 606054885 /nfs/dbraw/zinc/05/48/85/606054885.db2.gz XFWMJPYIRDTNJL-OAHLLOKOSA-N 0 3 397.483 0.787 20 0 GCADHN C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821596872 606054889 /nfs/dbraw/zinc/05/48/89/606054889.db2.gz XFWMJPYIRDTNJL-OAHLLOKOSA-N 0 3 397.483 0.787 20 0 GCADHN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821596872 606054894 /nfs/dbraw/zinc/05/48/94/606054894.db2.gz XFWMJPYIRDTNJL-OAHLLOKOSA-N 0 3 397.483 0.787 20 0 GCADHN CC(C)(O)C[N@H+](C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000819991842 606081985 /nfs/dbraw/zinc/08/19/85/606081985.db2.gz MOQNQPXGKQGBBC-INIZCTEOSA-N 0 3 391.472 0.858 20 0 GCADHN CC(C)(O)C[N@@H+](C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000819991842 606081988 /nfs/dbraw/zinc/08/19/88/606081988.db2.gz MOQNQPXGKQGBBC-INIZCTEOSA-N 0 3 391.472 0.858 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821189409 606144831 /nfs/dbraw/zinc/14/48/31/606144831.db2.gz LNTNQHKCFOGLDR-OAHLLOKOSA-N 0 3 394.501 0.988 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821189409 606144832 /nfs/dbraw/zinc/14/48/32/606144832.db2.gz LNTNQHKCFOGLDR-OAHLLOKOSA-N 0 3 394.501 0.988 20 0 GCADHN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000822534865 606152198 /nfs/dbraw/zinc/15/21/98/606152198.db2.gz ASXKOHZGMXCDHT-UHFFFAOYSA-N 0 3 385.428 0.745 20 0 GCADHN CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821572104 606158139 /nfs/dbraw/zinc/15/81/39/606158139.db2.gz ROMLYVDKVNOUBI-UHFFFAOYSA-N 0 3 399.463 0.425 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCN(C2CCOCC2)CC1 ZINC000819876994 606178086 /nfs/dbraw/zinc/17/80/86/606178086.db2.gz MKANTVPAHICNEV-AWEZNQCLSA-N 0 3 385.472 0.990 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000820480457 606196270 /nfs/dbraw/zinc/19/62/70/606196270.db2.gz KMGZWOURXALHOV-CQSZACIVSA-N 0 3 388.472 0.797 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000820480457 606196271 /nfs/dbraw/zinc/19/62/71/606196271.db2.gz KMGZWOURXALHOV-CQSZACIVSA-N 0 3 388.472 0.797 20 0 GCADHN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000820683960 606284113 /nfs/dbraw/zinc/28/41/13/606284113.db2.gz KBRUAYZZLZVILM-HUUCEWRRSA-N 0 3 386.504 0.836 20 0 GCADHN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000820683960 606284115 /nfs/dbraw/zinc/28/41/15/606284115.db2.gz KBRUAYZZLZVILM-HUUCEWRRSA-N 0 3 386.504 0.836 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000821587362 606286915 /nfs/dbraw/zinc/28/69/15/606286915.db2.gz UBDZJNLZLPVNQS-UHFFFAOYSA-N 0 3 396.455 0.427 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000821587362 606286916 /nfs/dbraw/zinc/28/69/16/606286916.db2.gz UBDZJNLZLPVNQS-UHFFFAOYSA-N 0 3 396.455 0.427 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820481505 606297517 /nfs/dbraw/zinc/29/75/17/606297517.db2.gz WPLWADOAJJOXOB-CQSZACIVSA-N 0 3 388.472 0.797 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820481505 606297518 /nfs/dbraw/zinc/29/75/18/606297518.db2.gz WPLWADOAJJOXOB-CQSZACIVSA-N 0 3 388.472 0.797 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000821700619 606300913 /nfs/dbraw/zinc/30/09/13/606300913.db2.gz TWMYAQIPHNMAST-KRWDZBQOSA-N 0 3 392.485 0.808 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)CC2 ZINC000821509270 606306358 /nfs/dbraw/zinc/30/63/58/606306358.db2.gz FGLOATCETRPYDC-CMPLNLGQSA-N 0 3 399.484 0.792 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)CC2 ZINC000821509270 606306360 /nfs/dbraw/zinc/30/63/60/606306360.db2.gz FGLOATCETRPYDC-CMPLNLGQSA-N 0 3 399.484 0.792 20 0 GCADHN C[NH+](C)C[C@H]1CN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CCO1 ZINC000821584739 606320213 /nfs/dbraw/zinc/32/02/13/606320213.db2.gz QRUFGUAVPCDUHH-AAEUAGOBSA-N 0 3 377.474 0.296 20 0 GCADHN C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820753657 606333413 /nfs/dbraw/zinc/33/34/13/606333413.db2.gz ZXVBDTMPEXEMAJ-UWWQBHOKSA-N 0 3 388.472 0.259 20 0 GCADHN C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820753657 606333416 /nfs/dbraw/zinc/33/34/16/606333416.db2.gz ZXVBDTMPEXEMAJ-UWWQBHOKSA-N 0 3 388.472 0.259 20 0 GCADHN C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821622329 606401269 /nfs/dbraw/zinc/40/12/69/606401269.db2.gz ZGVQAGVDJUCMML-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821622329 606401270 /nfs/dbraw/zinc/40/12/70/606401270.db2.gz ZGVQAGVDJUCMML-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN CN(CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Cc1ccc(F)cc1 ZINC000821602516 606425571 /nfs/dbraw/zinc/42/55/71/606425571.db2.gz GUJHPIDABMFPKE-AWEZNQCLSA-N 0 3 385.451 0.966 20 0 GCADHN CN(CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Cc1ccc(F)cc1 ZINC000821602516 606425573 /nfs/dbraw/zinc/42/55/73/606425573.db2.gz GUJHPIDABMFPKE-AWEZNQCLSA-N 0 3 385.451 0.966 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823155050 606477266 /nfs/dbraw/zinc/47/72/66/606477266.db2.gz NREFVZJHQYVGOY-HZPDHXFCSA-N 0 3 381.440 0.808 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823155050 606477268 /nfs/dbraw/zinc/47/72/68/606477268.db2.gz NREFVZJHQYVGOY-HZPDHXFCSA-N 0 3 381.440 0.808 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823155047 606477356 /nfs/dbraw/zinc/47/73/56/606477356.db2.gz NREFVZJHQYVGOY-CVEARBPZSA-N 0 3 381.440 0.808 20 0 GCADHN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823155047 606477358 /nfs/dbraw/zinc/47/73/58/606477358.db2.gz NREFVZJHQYVGOY-CVEARBPZSA-N 0 3 381.440 0.808 20 0 GCADHN O=C(CC[N@H+]1C[C@H](O)C[C@H](O)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822969442 606508152 /nfs/dbraw/zinc/50/81/52/606508152.db2.gz OJSZUHPPCHRHGU-PHIMTYICSA-N 0 3 392.485 0.563 20 0 GCADHN O=C(CC[N@@H+]1C[C@H](O)C[C@H](O)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822969442 606508154 /nfs/dbraw/zinc/50/81/54/606508154.db2.gz OJSZUHPPCHRHGU-PHIMTYICSA-N 0 3 392.485 0.563 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822859667 606546194 /nfs/dbraw/zinc/54/61/94/606546194.db2.gz HYHGQHULVGFQKN-LLVKDONJSA-N 0 3 375.458 0.483 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822859667 606546196 /nfs/dbraw/zinc/54/61/96/606546196.db2.gz HYHGQHULVGFQKN-LLVKDONJSA-N 0 3 375.458 0.483 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000821581875 606603544 /nfs/dbraw/zinc/60/35/44/606603544.db2.gz WXXVUHZXUGBDKH-JKSUJKDBSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821581875 606603545 /nfs/dbraw/zinc/60/35/45/606603545.db2.gz WXXVUHZXUGBDKH-JKSUJKDBSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821581684 606614817 /nfs/dbraw/zinc/61/48/17/606614817.db2.gz SCBBREFLJVJIJV-PWSUYJOCSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821581684 606614818 /nfs/dbraw/zinc/61/48/18/606614818.db2.gz SCBBREFLJVJIJV-PWSUYJOCSA-N 0 3 375.408 0.933 20 0 GCADHN O=C1[C@@H](N2CCN(C[C@@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823505308 606624075 /nfs/dbraw/zinc/62/40/75/606624075.db2.gz ZUYJZYKETQWENT-YJBOKZPZSA-N 0 3 397.483 0.626 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821449765 606629733 /nfs/dbraw/zinc/62/97/33/606629733.db2.gz XLJOEGFFVSGZIX-PISBDTFHSA-N 0 3 378.506 0.774 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821449765 606629735 /nfs/dbraw/zinc/62/97/35/606629735.db2.gz XLJOEGFFVSGZIX-PISBDTFHSA-N 0 3 378.506 0.774 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000821755986 606636125 /nfs/dbraw/zinc/63/61/25/606636125.db2.gz LDJMKNTWUNHXFG-ZYHUDNBSSA-N 0 3 385.428 0.555 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC000821624141 606686083 /nfs/dbraw/zinc/68/60/83/606686083.db2.gz ZQLLXXQTFLLASL-ZDUSSCGKSA-N 0 3 391.426 0.997 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC000821624141 606686084 /nfs/dbraw/zinc/68/60/84/606686084.db2.gz ZQLLXXQTFLLASL-ZDUSSCGKSA-N 0 3 391.426 0.997 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC000821624141 606686085 /nfs/dbraw/zinc/68/60/85/606686085.db2.gz ZQLLXXQTFLLASL-ZDUSSCGKSA-N 0 3 391.426 0.997 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC000821624141 606686086 /nfs/dbraw/zinc/68/60/86/606686086.db2.gz ZQLLXXQTFLLASL-ZDUSSCGKSA-N 0 3 391.426 0.997 20 0 GCADHN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820649897 606701768 /nfs/dbraw/zinc/70/17/68/606701768.db2.gz PCHFHYFVKYVNGZ-XQQFMLRXSA-N 0 3 389.508 0.929 20 0 GCADHN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820649897 606701769 /nfs/dbraw/zinc/70/17/69/606701769.db2.gz PCHFHYFVKYVNGZ-XQQFMLRXSA-N 0 3 389.508 0.929 20 0 GCADHN CC(C)C[N@@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000820091986 606808587 /nfs/dbraw/zinc/80/85/87/606808587.db2.gz DEZYCCHEIWGZBO-GFCCVEGCSA-N 0 3 379.490 0.904 20 0 GCADHN CC(C)C[N@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000820091986 606808588 /nfs/dbraw/zinc/80/85/88/606808588.db2.gz DEZYCCHEIWGZBO-GFCCVEGCSA-N 0 3 379.490 0.904 20 0 GCADHN CC(C)C[N@@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000820091986 606808589 /nfs/dbraw/zinc/80/85/89/606808589.db2.gz DEZYCCHEIWGZBO-GFCCVEGCSA-N 0 3 379.490 0.904 20 0 GCADHN CC(C)C[N@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000820091986 606808590 /nfs/dbraw/zinc/80/85/90/606808590.db2.gz DEZYCCHEIWGZBO-GFCCVEGCSA-N 0 3 379.490 0.904 20 0 GCADHN O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000823009496 606821032 /nfs/dbraw/zinc/82/10/32/606821032.db2.gz KUNFVCZQCFZDEI-QGZVFWFLSA-N 0 3 385.472 0.992 20 0 GCADHN C[C@@H]1CN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@H]1[NH+](C)C ZINC000820736231 606832556 /nfs/dbraw/zinc/83/25/56/606832556.db2.gz YFQXGCHYLMCWDK-CZUORRHYSA-N 0 3 399.503 0.822 20 0 GCADHN C[C@@H]1CN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C[C@H]1[NH+](C)C ZINC000820736231 606832557 /nfs/dbraw/zinc/83/25/57/606832557.db2.gz YFQXGCHYLMCWDK-CZUORRHYSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820750378 606838435 /nfs/dbraw/zinc/83/84/35/606838435.db2.gz BDRIZLJCSXDKQN-QMTHXVAHSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820750378 606838437 /nfs/dbraw/zinc/83/84/37/606838437.db2.gz BDRIZLJCSXDKQN-QMTHXVAHSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820750378 606838439 /nfs/dbraw/zinc/83/84/39/606838439.db2.gz BDRIZLJCSXDKQN-QMTHXVAHSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820750378 606838441 /nfs/dbraw/zinc/83/84/41/606838441.db2.gz BDRIZLJCSXDKQN-QMTHXVAHSA-N 0 3 375.408 0.789 20 0 GCADHN O[C@@H](C[NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682951 606858454 /nfs/dbraw/zinc/85/84/54/606858454.db2.gz WIBZUKHBLGZALA-WMZOPIPTSA-N 0 3 390.513 0.698 20 0 GCADHN O[C@@H](C[NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682951 606858455 /nfs/dbraw/zinc/85/84/55/606858455.db2.gz WIBZUKHBLGZALA-WMZOPIPTSA-N 0 3 390.513 0.698 20 0 GCADHN CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC000821637710 606859077 /nfs/dbraw/zinc/85/90/77/606859077.db2.gz QMGYWBMWSCBQTD-CVEARBPZSA-N 0 3 395.471 0.990 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000821755329 606885069 /nfs/dbraw/zinc/88/50/69/606885069.db2.gz DXZOEOJVKREYCY-IINYFYTJSA-N 0 3 385.428 0.413 20 0 GCADHN CNS(=O)(=O)C1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821636614 606897835 /nfs/dbraw/zinc/89/78/35/606897835.db2.gz WXVQQCJZWMIGKK-UHFFFAOYSA-N 0 3 380.474 0.649 20 0 GCADHN OCC[N@H+](CCCOc1cccc(-c2nn[n-]n2)c1)CCN1CCOCC1 ZINC000823722480 606908406 /nfs/dbraw/zinc/90/84/06/606908406.db2.gz RIWBFHFOIUKVKD-UHFFFAOYSA-N 0 3 376.461 0.262 20 0 GCADHN OCC[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)CCN1CCOCC1 ZINC000823722480 606908409 /nfs/dbraw/zinc/90/84/09/606908409.db2.gz RIWBFHFOIUKVKD-UHFFFAOYSA-N 0 3 376.461 0.262 20 0 GCADHN C[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)C[C@H](O)CN1CCOCC1 ZINC000821600449 606909256 /nfs/dbraw/zinc/90/92/56/606909256.db2.gz NCAAOPGEUAJMEK-INIZCTEOSA-N 0 3 376.461 0.261 20 0 GCADHN C[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)C[C@H](O)CN1CCOCC1 ZINC000821600449 606909258 /nfs/dbraw/zinc/90/92/58/606909258.db2.gz NCAAOPGEUAJMEK-INIZCTEOSA-N 0 3 376.461 0.261 20 0 GCADHN C[N@H+](CCCOc1cccc(-c2nn[n-]n2)c1)C[C@H](O)CN1CCOCC1 ZINC000821600449 606909259 /nfs/dbraw/zinc/90/92/59/606909259.db2.gz NCAAOPGEUAJMEK-INIZCTEOSA-N 0 3 376.461 0.261 20 0 GCADHN C[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)C[C@H](O)CN1CCOCC1 ZINC000821600449 606909261 /nfs/dbraw/zinc/90/92/61/606909261.db2.gz NCAAOPGEUAJMEK-INIZCTEOSA-N 0 3 376.461 0.261 20 0 GCADHN C[C@@]1(C2CC[NH+](CCCOc3cccc(-c4nnn[n-]4)c3)CC2)NC(=O)NC1=O ZINC000820613286 606911418 /nfs/dbraw/zinc/91/14/18/606911418.db2.gz YXPAQETZKQFKIP-IBGZPJMESA-N 0 3 399.455 0.946 20 0 GCADHN C[C@@]1(C2CC[NH+](CCCOc3cccc(-c4nn[n-]n4)c3)CC2)NC(=O)NC1=O ZINC000820613286 606911419 /nfs/dbraw/zinc/91/14/19/606911419.db2.gz YXPAQETZKQFKIP-IBGZPJMESA-N 0 3 399.455 0.946 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821623287 607083346 /nfs/dbraw/zinc/08/33/46/607083346.db2.gz IGFJYDSVOWRSPO-INIZCTEOSA-N 0 3 399.455 0.011 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625708 607103146 /nfs/dbraw/zinc/10/31/46/607103146.db2.gz UNVKZRPKNCYHCH-DZGCQCFKSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625708 607103148 /nfs/dbraw/zinc/10/31/48/607103148.db2.gz UNVKZRPKNCYHCH-DZGCQCFKSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625708 607103150 /nfs/dbraw/zinc/10/31/50/607103150.db2.gz UNVKZRPKNCYHCH-DZGCQCFKSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625708 607103152 /nfs/dbraw/zinc/10/31/52/607103152.db2.gz UNVKZRPKNCYHCH-DZGCQCFKSA-N 0 3 385.476 0.799 20 0 GCADHN CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000821587224 607180952 /nfs/dbraw/zinc/18/09/52/607180952.db2.gz MJJFHMGCVQOQTD-UHFFFAOYSA-N 0 3 397.443 0.222 20 0 GCADHN OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000826507508 607821048 /nfs/dbraw/zinc/82/10/48/607821048.db2.gz PZFRIOSXPNMVRY-NOLJZWGESA-N 0 3 384.444 0.179 20 0 GCADHN OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000826507508 607821049 /nfs/dbraw/zinc/82/10/49/607821049.db2.gz PZFRIOSXPNMVRY-NOLJZWGESA-N 0 3 384.444 0.179 20 0 GCADHN CC[C@@H]1CN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC[N@@H+]1C[C@H](C)O ZINC000825211362 607922638 /nfs/dbraw/zinc/92/26/38/607922638.db2.gz MKHRNCRAWDAWQD-DZGCQCFKSA-N 0 3 388.472 0.930 20 0 GCADHN CC[C@@H]1CN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC[N@H+]1C[C@H](C)O ZINC000825211362 607922639 /nfs/dbraw/zinc/92/26/39/607922639.db2.gz MKHRNCRAWDAWQD-DZGCQCFKSA-N 0 3 388.472 0.930 20 0 GCADHN C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000824731750 607999153 /nfs/dbraw/zinc/99/91/53/607999153.db2.gz YGHFUCKKGXYCPS-AWEZNQCLSA-N 0 3 388.472 0.939 20 0 GCADHN C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000824731750 607999154 /nfs/dbraw/zinc/99/91/54/607999154.db2.gz YGHFUCKKGXYCPS-AWEZNQCLSA-N 0 3 388.472 0.939 20 0 GCADHN NS(=O)(=O)c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826395013 608016685 /nfs/dbraw/zinc/01/66/85/608016685.db2.gz JLVYGYNTQZCMBU-GFCCVEGCSA-N 0 3 393.473 0.179 20 0 GCADHN NS(=O)(=O)c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826395013 608016686 /nfs/dbraw/zinc/01/66/86/608016686.db2.gz JLVYGYNTQZCMBU-GFCCVEGCSA-N 0 3 393.473 0.179 20 0 GCADHN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000825933932 608036795 /nfs/dbraw/zinc/03/67/95/608036795.db2.gz IWKCMWXAPNYUAU-SECBINFHSA-N 0 3 387.370 0.200 20 0 GCADHN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000825933932 608036796 /nfs/dbraw/zinc/03/67/96/608036796.db2.gz IWKCMWXAPNYUAU-SECBINFHSA-N 0 3 387.370 0.200 20 0 GCADHN CC[NH+]1CCC(NC(=O)CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000825454095 608067144 /nfs/dbraw/zinc/06/71/44/608067144.db2.gz YYICRGIFWXEJPL-SFHVURJKSA-N 0 3 399.499 0.841 20 0 GCADHN FC(F)COc1ncccc1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000826369626 608114092 /nfs/dbraw/zinc/11/40/92/608114092.db2.gz KPFYQVWPSMWWQT-SNVBAGLBSA-N 0 3 391.386 0.934 20 0 GCADHN FC(F)COc1ncccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000826369626 608114093 /nfs/dbraw/zinc/11/40/93/608114093.db2.gz KPFYQVWPSMWWQT-SNVBAGLBSA-N 0 3 391.386 0.934 20 0 GCADHN O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2)CN1 ZINC000826479395 608169966 /nfs/dbraw/zinc/16/99/66/608169966.db2.gz XPORZHPOTNUYSN-YQQAZPJKSA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2)CN1 ZINC000826479395 608169967 /nfs/dbraw/zinc/16/99/67/608169967.db2.gz XPORZHPOTNUYSN-YQQAZPJKSA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CN1 ZINC000826479395 608169968 /nfs/dbraw/zinc/16/99/68/608169968.db2.gz XPORZHPOTNUYSN-YQQAZPJKSA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CN1 ZINC000826479395 608169969 /nfs/dbraw/zinc/16/99/69/608169969.db2.gz XPORZHPOTNUYSN-YQQAZPJKSA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2)CN1 ZINC000826479397 608169972 /nfs/dbraw/zinc/16/99/72/608169972.db2.gz XPORZHPOTNUYSN-ZOBUZTSGSA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(-c3nnn[n-]3)cc2)CN1 ZINC000826479397 608169973 /nfs/dbraw/zinc/16/99/73/608169973.db2.gz XPORZHPOTNUYSN-ZOBUZTSGSA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CN1 ZINC000826479397 608169974 /nfs/dbraw/zinc/16/99/74/608169974.db2.gz XPORZHPOTNUYSN-ZOBUZTSGSA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CN1 ZINC000826479397 608169975 /nfs/dbraw/zinc/16/99/75/608169975.db2.gz XPORZHPOTNUYSN-ZOBUZTSGSA-N 0 3 386.456 0.597 20 0 GCADHN COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000826184757 608364247 /nfs/dbraw/zinc/36/42/47/608364247.db2.gz JOOHZVANDUQKIN-UHFFFAOYSA-N 0 3 387.444 0.803 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000826184757 608364249 /nfs/dbraw/zinc/36/42/49/608364249.db2.gz JOOHZVANDUQKIN-UHFFFAOYSA-N 0 3 387.444 0.803 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3F)C[C@@H]2C)CC1 ZINC000823982254 608397140 /nfs/dbraw/zinc/39/71/40/608397140.db2.gz XVSJQEKRENOJLH-GUYCJALGSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3F)C[C@@H]2C)CC1 ZINC000823982254 608397142 /nfs/dbraw/zinc/39/71/42/608397142.db2.gz XVSJQEKRENOJLH-GUYCJALGSA-N 0 3 387.463 0.990 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000826389666 608436092 /nfs/dbraw/zinc/43/60/92/608436092.db2.gz DZASOBHHBUXBIG-INIZCTEOSA-N 0 3 382.472 0.669 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000826389666 608436094 /nfs/dbraw/zinc/43/60/94/608436094.db2.gz DZASOBHHBUXBIG-INIZCTEOSA-N 0 3 382.472 0.669 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826389861 608454050 /nfs/dbraw/zinc/45/40/50/608454050.db2.gz KGDIMZMDGZXXBI-MRXNPFEDSA-N 0 3 398.471 0.219 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+]1C1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826389861 608454051 /nfs/dbraw/zinc/45/40/51/608454051.db2.gz KGDIMZMDGZXXBI-MRXNPFEDSA-N 0 3 398.471 0.219 20 0 GCADHN O=S1(=O)CCC[C@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000826496882 608507890 /nfs/dbraw/zinc/50/78/90/608507890.db2.gz MNSDVAYTBSBOSE-AWEZNQCLSA-N 0 3 377.474 0.397 20 0 GCADHN O=S1(=O)CCC[C@H]([NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000826496882 608507891 /nfs/dbraw/zinc/50/78/91/608507891.db2.gz MNSDVAYTBSBOSE-AWEZNQCLSA-N 0 3 377.474 0.397 20 0 GCADHN O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826430999 609234510 /nfs/dbraw/zinc/23/45/10/609234510.db2.gz PHLWGDIFZSCIAG-DYVFJYSZSA-N 0 3 386.456 0.517 20 0 GCADHN O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826430999 609234512 /nfs/dbraw/zinc/23/45/12/609234512.db2.gz PHLWGDIFZSCIAG-DYVFJYSZSA-N 0 3 386.456 0.517 20 0 GCADHN CC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000823973560 609412280 /nfs/dbraw/zinc/41/22/80/609412280.db2.gz KSPGXJCXKZOGHZ-KRWDZBQOSA-N 0 3 383.456 0.963 20 0 GCADHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000826329283 609415157 /nfs/dbraw/zinc/41/51/57/609415157.db2.gz XCDGGAGWRNHNMD-HOCLYGCPSA-N 0 3 393.455 0.867 20 0 GCADHN C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C2 ZINC000891706969 638508417 /nfs/dbraw/zinc/50/84/17/638508417.db2.gz FYRNLSCWSCYHNL-IINYFYTJSA-N 0 3 392.934 0.931 20 0 GCADHN CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926315140 638519437 /nfs/dbraw/zinc/51/94/37/638519437.db2.gz ZLNDZHGKIQZIMW-UHFFFAOYSA-N 0 3 389.319 0.490 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2nc(Cl)ccc2S(N)(=O)=O)CC1 ZINC000892330001 638555188 /nfs/dbraw/zinc/55/51/88/638555188.db2.gz FCPZXUJCHZHLRJ-UHFFFAOYSA-N 0 3 389.909 0.373 20 0 GCADHN CN(C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1CCCN(C)C1 ZINC000892951364 638604921 /nfs/dbraw/zinc/60/49/21/638604921.db2.gz SZLQPOCQQPEKOW-ZDUSSCGKSA-N 0 3 382.477 0.986 20 0 GCADHN C[C@@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)CC[C@H]1N1CCN(C)CC1 ZINC000893046630 638607749 /nfs/dbraw/zinc/60/77/49/638607749.db2.gz HBUPJUBZYDHBIX-CHWSQXEVSA-N 0 3 387.937 0.845 20 0 GCADHN CN1CCN(C)CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000888992251 638625429 /nfs/dbraw/zinc/62/54/29/638625429.db2.gz CULNHELUHIPJQX-UHFFFAOYSA-N 0 3 394.950 0.386 20 0 GCADHN C[C@@H](CNCc1cn(C)nc1I)N1CCN(C)CC1 ZINC000894241966 638684962 /nfs/dbraw/zinc/68/49/62/638684962.db2.gz FPNQCSYOSLPEER-NSHDSACASA-N 0 3 377.274 0.750 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)s1 ZINC000894356807 638695747 /nfs/dbraw/zinc/69/57/47/638695747.db2.gz NDMMFLNVWYSRQT-KBPBESRZSA-N 0 3 387.527 0.892 20 0 GCADHN Cn1cc(CNC[C@H]2CCCN2CCCO)c(I)n1 ZINC000894872016 638715223 /nfs/dbraw/zinc/71/52/23/638715223.db2.gz DKKQXUJYUIRIEB-GFCCVEGCSA-N 0 3 378.258 0.961 20 0 GCADHN Cn1ncc(I)c1CNC[C@H]1CCCN1CCCO ZINC000894873782 638715403 /nfs/dbraw/zinc/71/54/03/638715403.db2.gz OGXRXGQODRJUKY-LLVKDONJSA-N 0 3 378.258 0.961 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000262096967 638719812 /nfs/dbraw/zinc/71/98/12/638719812.db2.gz BXBIJFOCURRFLY-NSHDSACASA-N 0 3 377.488 0.569 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000727075199 638734388 /nfs/dbraw/zinc/73/43/88/638734388.db2.gz YTRFQDXEQXSHDX-UHFFFAOYSA-N 0 3 384.571 0.926 20 0 GCADHN CS(=O)(=O)NCCNC(=S)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000727081678 638736782 /nfs/dbraw/zinc/73/67/82/638736782.db2.gz FPFYDXUBZUCSIB-ZDUSSCGKSA-N 0 3 390.600 0.973 20 0 GCADHN CN(C)CCN(CCCc1ccccc1)C(=S)NCCNS(C)(=O)=O ZINC000727086206 638737988 /nfs/dbraw/zinc/73/79/88/638737988.db2.gz YLHYHEVXUHRTNA-UHFFFAOYSA-N 0 3 386.587 0.907 20 0 GCADHN Cn1cc(CNCCCN2CCC[C@H]2C(N)=O)c(I)n1 ZINC000895390487 638749957 /nfs/dbraw/zinc/74/99/57/638749957.db2.gz NXTDTBVUQGRJJV-NSHDSACASA-N 0 3 391.257 0.454 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1c[nH]nc1I ZINC000896521903 639051201 /nfs/dbraw/zinc/05/12/01/639051201.db2.gz WVAFBQQLGHFJNE-UHFFFAOYSA-N 0 3 391.257 0.724 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1c[nH]nc1I ZINC000896978520 639078072 /nfs/dbraw/zinc/07/80/72/639078072.db2.gz HRAMBZPQNOOYEY-SNVBAGLBSA-N 0 3 390.225 0.997 20 0 GCADHN Cc1n[nH]c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1Br ZINC000728551996 639085964 /nfs/dbraw/zinc/08/59/64/639085964.db2.gz XQOAFOLPZYMLIL-UHFFFAOYSA-N 0 3 384.278 0.861 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCN2CCC([NH+](C)C)CC2)c1Br ZINC000866917014 639099910 /nfs/dbraw/zinc/09/99/10/639099910.db2.gz CWUKDTMQYMABTD-UHFFFAOYSA-N 0 3 394.339 0.487 20 0 GCADHN CC(C)[NH+]1CCC(O)(C[N-]S(=O)(=O)c2cn(C)nc2Br)CC1 ZINC000866959569 639162822 /nfs/dbraw/zinc/16/28/22/639162822.db2.gz DAQJGNMYXRXPFP-UHFFFAOYSA-N 0 3 395.323 0.696 20 0 GCADHN Cc1[nH]nc(I)c1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000897764578 639209784 /nfs/dbraw/zinc/20/97/84/639209784.db2.gz KFFSZZHLWCDOCQ-SECBINFHSA-N 0 3 378.214 0.509 20 0 GCADHN COC(=O)CN1CCC(N[C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897979144 639218617 /nfs/dbraw/zinc/21/86/17/639218617.db2.gz WZOPQOIXMZICMM-CYBMUJFWSA-N 0 3 397.273 0.934 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H]2C)C1 ZINC000925331465 639229396 /nfs/dbraw/zinc/22/93/96/639229396.db2.gz FKXKCSYZSKBUOC-RBSFLKMASA-N 0 3 376.523 0.161 20 0 GCADHN CN(C)C[C@@H]1NC(=O)N(CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1=O ZINC000924630425 639233945 /nfs/dbraw/zinc/23/39/45/639233945.db2.gz CSHUWFJXUFAMCD-JTQLQIEISA-N 0 3 386.396 0.030 20 0 GCADHN O=C([C@@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000898437055 639239221 /nfs/dbraw/zinc/23/92/21/639239221.db2.gz LUMADMNQNWWFNA-GUTXKFCHSA-N 0 3 395.253 0.808 20 0 GCADHN CN(CCO)CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000899731747 639271415 /nfs/dbraw/zinc/27/14/15/639271415.db2.gz JADDHJGDNHOYNU-UHFFFAOYSA-N 0 3 386.246 0.215 20 0 GCADHN CN(CCO)CCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000899729862 639273627 /nfs/dbraw/zinc/27/36/27/639273627.db2.gz PRXLLJIRTYSXJN-LBPRGKRZSA-N 0 3 384.274 0.842 20 0 GCADHN CN(CCO)CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000899737032 639273647 /nfs/dbraw/zinc/27/36/47/639273647.db2.gz DFROXJVXCATXOY-HNNXBMFYSA-N 0 3 398.301 0.980 20 0 GCADHN CN(CCO)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000899729837 639273840 /nfs/dbraw/zinc/27/38/40/639273840.db2.gz PFYUBGNFHKXAQZ-LBPRGKRZSA-N 0 3 384.274 0.842 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC000907746984 639416376 /nfs/dbraw/zinc/41/63/76/639416376.db2.gz BNMYSDRXVZJDDW-HBNTYKKESA-N 0 3 375.365 0.690 20 0 GCADHN O=C(c1c[nH]nc1I)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000908201873 639444113 /nfs/dbraw/zinc/44/41/13/639444113.db2.gz MNVLUFJDJHEJNH-RKDXNWHRSA-N 0 3 376.198 0.295 20 0 GCADHN Cn1cc(C(=O)NC[C@@H]2CCCN2CCCO)c(I)n1 ZINC000908526422 639461225 /nfs/dbraw/zinc/46/12/25/639461225.db2.gz LQZVDABSAXGZCO-JTQLQIEISA-N 0 3 392.241 0.601 20 0 GCADHN Cn1cc(C(=O)N(CCO)C2CCN(C)CC2)c(I)n1 ZINC000911933943 639525464 /nfs/dbraw/zinc/52/54/64/639525464.db2.gz SHXPOCIZPOKMGD-UHFFFAOYSA-N 0 3 392.241 0.553 20 0 GCADHN CN1CCC(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000063143336 639636965 /nfs/dbraw/zinc/63/69/65/639636965.db2.gz LBBDBDTVXRKBKV-UHFFFAOYSA-N 0 3 382.555 0.962 20 0 GCADHN NS(=O)(=O)[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000914191615 639707466 /nfs/dbraw/zinc/70/74/66/639707466.db2.gz AUDRLAPYVCVHEX-CQSZACIVSA-N 0 3 390.575 0.811 20 0 GCADHN CN1CCC(NC(=S)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000732928877 639815376 /nfs/dbraw/zinc/81/53/76/639815376.db2.gz INGKHSZFFCXGFZ-UHFFFAOYSA-N 0 3 384.518 0.809 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000919941862 639909887 /nfs/dbraw/zinc/90/98/87/639909887.db2.gz XFHBHCPSQKXUAM-HUUCEWRRSA-N 0 3 376.523 0.715 20 0 GCADHN Cn1nc(Br)c2c1ncn(CC(=O)NNc1ccncc1)c2=O ZINC000180463220 639955338 /nfs/dbraw/zinc/95/53/38/639955338.db2.gz VJCISDYAEJRFOO-UHFFFAOYSA-N 0 3 378.190 0.431 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NCCN2CCCC[C@H]2CC)CC1 ZINC000733318947 639971364 /nfs/dbraw/zinc/97/13/64/639971364.db2.gz IBJHBVXAVNEEHU-OAHLLOKOSA-N 0 3 376.523 0.859 20 0 GCADHN COCCS(=O)(=O)CCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000733435698 639977096 /nfs/dbraw/zinc/97/70/96/639977096.db2.gz ONCMXDPKSJWJEW-VHSXEESVSA-N 0 3 375.365 0.438 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866973837 640051946 /nfs/dbraw/zinc/05/19/46/640051946.db2.gz OBJRJPZYMQSZSZ-LLVKDONJSA-N 0 3 390.868 0.801 20 0 GCADHN COc1cc(CNS(=O)(=O)N2CCNCC2)ccc1OCC(F)(F)F ZINC000923590791 640144439 /nfs/dbraw/zinc/14/44/39/640144439.db2.gz CZBCRUDLJSNNCY-UHFFFAOYSA-N 0 3 383.392 0.876 20 0 GCADHN O=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923602038 640149624 /nfs/dbraw/zinc/14/96/24/640149624.db2.gz CHZUGGYVMOACGB-UHFFFAOYSA-N 0 3 390.868 0.387 20 0 GCADHN O=S(=O)(N=S1(=O)CCCC1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000866982694 640173377 /nfs/dbraw/zinc/17/33/77/640173377.db2.gz SJMVIQOPGRMRHN-HUUCEWRRSA-N 0 3 379.548 0.851 20 0 GCADHN CC(C)[C@@H](CNC(=O)NCCS(=O)(=O)C1CCOCC1)N1CCCC1 ZINC000838313198 640177650 /nfs/dbraw/zinc/17/76/50/640177650.db2.gz VEBZAHWFKJLYDY-MRXNPFEDSA-N 0 3 375.535 1.000 20 0 GCADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000838519389 640182845 /nfs/dbraw/zinc/18/28/45/640182845.db2.gz BGGANSOYZOFIOU-KBPBESRZSA-N 0 3 376.523 0.274 20 0 GCADHN CN1CCC(NC(=S)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000743015182 640250701 /nfs/dbraw/zinc/25/07/01/640250701.db2.gz XBOAFFUANSSHBG-UHFFFAOYSA-N 0 3 387.531 0.091 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000747424276 640310903 /nfs/dbraw/zinc/31/09/03/640310903.db2.gz FSBAACVCPRBAMA-OAHLLOKOSA-N 0 3 378.560 0.912 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000754941916 640462540 /nfs/dbraw/zinc/46/25/40/640462540.db2.gz FSPCAUQDJBIVRR-JTQLQIEISA-N 0 3 385.262 0.687 20 0 GCADHN O=C(N[C@H]1CCN(C2CC2)C1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000755195779 640466582 /nfs/dbraw/zinc/46/65/82/640466582.db2.gz NVKYRPNLLRGNKU-NSHDSACASA-N 0 3 384.424 0.836 20 0 GCADHN CN(C)CCN(C(=O)NCCS(=O)(=O)N1CCOCC1)C1CCCC1 ZINC000758738510 640538509 /nfs/dbraw/zinc/53/85/09/640538509.db2.gz QZQHOOQMNFKDPT-UHFFFAOYSA-N 0 3 376.523 0.164 20 0 GCADHN Cn1ncc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1Br ZINC000760243574 640565960 /nfs/dbraw/zinc/56/59/60/640565960.db2.gz IQLZBVGHDMQKGC-UHFFFAOYSA-N 0 3 384.278 0.563 20 0 GCADHN C[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000763432624 640629316 /nfs/dbraw/zinc/62/93/16/640629316.db2.gz UENYVVDKLKFTHM-CHWSQXEVSA-N 0 3 375.926 0.720 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000766286464 640694274 /nfs/dbraw/zinc/69/42/74/640694274.db2.gz GVUUBAOBOPHVNQ-UHFFFAOYSA-N 0 3 384.278 0.536 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000769635095 640778965 /nfs/dbraw/zinc/77/89/65/640778965.db2.gz BIELJJANFMEQSR-UHFFFAOYSA-N 0 3 389.905 0.924 20 0 GCADHN NS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000771036650 640819229 /nfs/dbraw/zinc/81/92/29/640819229.db2.gz AJFYEFKBRKSDBY-GFCCVEGCSA-N 0 3 387.889 0.971 20 0 GCADHN CN(C)S(=O)(=O)c1cc(NC(=O)CN[C@@H](CO)C2CC2)ccc1Cl ZINC000771814691 640832899 /nfs/dbraw/zinc/83/28/99/640832899.db2.gz SXQRJBJETJIMIS-ZDUSSCGKSA-N 0 3 375.878 0.889 20 0 GCADHN C[C@H](CC(=O)Nc1cccnc1Cl)NCCS(=O)(=O)N1CCOCC1 ZINC000772948684 640853302 /nfs/dbraw/zinc/85/33/02/640853302.db2.gz XVYBBZZWRNVLEB-GFCCVEGCSA-N 0 3 390.893 0.704 20 0 GCADHN C[C@H](NCCOCCS(C)(=O)=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000773015168 640853622 /nfs/dbraw/zinc/85/36/22/640853622.db2.gz KUXXYVJPVMDSFM-AWEZNQCLSA-N 0 3 390.527 0.938 20 0 GCADHN Cc1cc(Br)ncc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000774076310 640875931 /nfs/dbraw/zinc/87/59/31/640875931.db2.gz IKQZGLRTFQEZEV-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775162195 641069081 /nfs/dbraw/zinc/06/90/81/641069081.db2.gz CWVGKADBPIXDPE-OLZOCXBDSA-N 0 3 379.332 0.686 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775191174 641072081 /nfs/dbraw/zinc/07/20/81/641072081.db2.gz FJXJRMQNQDSXLJ-NWDGAFQWSA-N 0 3 393.315 0.355 20 0 GCADHN O=C(CN1C(=S)N=NC1c1cccs1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861710350 641162393 /nfs/dbraw/zinc/16/23/93/641162393.db2.gz OQIBEOCEDGGCKI-VXGBXAGGSA-N 0 3 379.511 0.963 20 0 GCADHN O=C(c1nccn2c(Br)cnc12)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861714892 641163434 /nfs/dbraw/zinc/16/34/34/641163434.db2.gz LYVOSMWHCSZJLZ-QWRGUYRKSA-N 0 3 380.246 0.773 20 0 GCADHN CN(C)CCONC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 ZINC000861858595 641170766 /nfs/dbraw/zinc/17/07/66/641170766.db2.gz VOODCFFONIGFIW-UHFFFAOYSA-N 0 3 377.488 0.117 20 0 GCADHN C[C@@H](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000861910368 641173591 /nfs/dbraw/zinc/17/35/91/641173591.db2.gz JTFLVRPFRRBVML-UUIJZJDISA-N 0 3 386.905 0.810 20 0 GCADHN O=S1(=O)CCN(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000863215868 641225362 /nfs/dbraw/zinc/22/53/62/641225362.db2.gz KWODMTJVXFCDCC-UHFFFAOYSA-N 0 3 382.555 0.761 20 0 GCADHN CC[S@](C)(=O)=NS(=O)(=O)[N-]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000866679091 641315574 /nfs/dbraw/zinc/31/55/74/641315574.db2.gz JJOFGGBMOLSZER-DEOSSOPVSA-N 0 3 389.547 0.546 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CC2CC[NH2+]CC2)c1I ZINC000866735970 641320257 /nfs/dbraw/zinc/32/02/57/641320257.db2.gz RZZGHRLOAUJZOM-UHFFFAOYSA-N 0 3 384.243 0.303 20 0 GCADHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866743194 641323044 /nfs/dbraw/zinc/32/30/44/641323044.db2.gz YZYNOSYTZAUUEX-MRVPVSSYSA-N 0 3 386.259 0.821 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2I)C1 ZINC000866764187 641327623 /nfs/dbraw/zinc/32/76/23/641327623.db2.gz LMFKGKAJVUPHGO-SECBINFHSA-N 0 3 398.270 0.739 20 0 GCADHN COc1cccc(Br)c1CS(=O)(=O)NC[C@H]1CNCCO1 ZINC000866770957 641329037 /nfs/dbraw/zinc/32/90/37/641329037.db2.gz JJNPIARIAPNWKX-SNVBAGLBSA-N 0 3 379.276 0.866 20 0 GCADHN COc1cccc(Br)c1CS(=O)(=O)[N-]C[C@H]1C[NH2+]CCO1 ZINC000866770957 641329044 /nfs/dbraw/zinc/32/90/44/641329044.db2.gz JJNPIARIAPNWKX-SNVBAGLBSA-N 0 3 379.276 0.866 20 0 GCADHN CN(C)CCCS(=O)(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000866782200 641332049 /nfs/dbraw/zinc/33/20/49/641332049.db2.gz VXANSVQNNNMNFM-UHFFFAOYSA-N 0 3 377.479 0.122 20 0 GCADHN Cn1ncc(S(=O)(=O)N2CCNCCC2(C)C)c1I ZINC000866802717 641335032 /nfs/dbraw/zinc/33/50/32/641335032.db2.gz JUOPLKCDUOYVFA-UHFFFAOYSA-N 0 3 398.270 0.787 20 0 GCADHN CC1(C)CCNCCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000866803189 641335489 /nfs/dbraw/zinc/33/54/89/641335489.db2.gz CXODWDBBEGGBLY-UHFFFAOYSA-N 0 3 387.527 0.890 20 0 GCADHN CC1(C)CCNCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000866804134 641335630 /nfs/dbraw/zinc/33/56/30/641335630.db2.gz AJXOJSZEXQEKJA-UHFFFAOYSA-N 0 3 387.527 0.890 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1ccc(Br)cn1 ZINC000867442875 641341732 /nfs/dbraw/zinc/34/17/32/641341732.db2.gz NHHJMBBCJKHSMY-UHFFFAOYSA-N 0 3 387.278 0.497 20 0 GCADHN Cn1ncc(S(=O)(=O)N2CCOC3(CCN(C)CC3)C2)c1Br ZINC000867453259 641343042 /nfs/dbraw/zinc/34/30/42/641343042.db2.gz OMDKPHYJQQHMMW-UHFFFAOYSA-N 0 3 393.307 0.668 20 0 GCADHN C[C@H](CC[N-]S(=O)(=O)c1cnn(C)c1I)[NH+](C)C ZINC000867503689 641347962 /nfs/dbraw/zinc/34/79/62/641347962.db2.gz IKNQTEZECNJHMT-MRVPVSSYSA-N 0 3 386.259 0.643 20 0 GCADHN CC(C)CN(CC1CCN(C)CC1)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000867864654 641384529 /nfs/dbraw/zinc/38/45/29/641384529.db2.gz HSAQBODLQBSRFY-UHFFFAOYSA-N 0 3 397.607 0.898 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000790450387 641414551 /nfs/dbraw/zinc/41/45/51/641414551.db2.gz OGBMIQJFTIMFLB-CQSZACIVSA-N 0 3 376.523 0.715 20 0 GCADHN Cn1cc(S(=O)(=O)[N-]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c(Br)n1 ZINC000871809158 641458720 /nfs/dbraw/zinc/45/87/20/641458720.db2.gz SSMJEZNGNAYELD-JTQLQIEISA-N 0 3 393.307 0.620 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1Br ZINC000871810999 641459123 /nfs/dbraw/zinc/45/91/23/641459123.db2.gz PTWHGRTZBCOKNP-SNVBAGLBSA-N 0 3 393.307 0.620 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@]23CCC[C@H]2[NH2+]CC3)c1I ZINC000871820553 641459950 /nfs/dbraw/zinc/45/99/50/641459950.db2.gz QNZAZHUYRFDDJW-MWLCHTKSSA-N 0 3 396.254 0.588 20 0 GCADHN CN1CCC2(CC1)CC(=O)NN(c1nc(Br)cn3ccnc13)C2=O ZINC000871959344 641462418 /nfs/dbraw/zinc/46/24/18/641462418.db2.gz KQGOHNBFODPKDG-UHFFFAOYSA-N 0 3 393.245 0.972 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC2(CCNC2=O)CC1 ZINC000872522930 641477640 /nfs/dbraw/zinc/47/76/40/641477640.db2.gz UPHVUOCCASSDMQ-JTQLQIEISA-N 0 3 386.392 0.802 20 0 GCADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000794404859 641490295 /nfs/dbraw/zinc/49/02/95/641490295.db2.gz PNFSKUAIZHOECE-UONOGXRCSA-N 0 3 379.523 0.523 20 0 GCADHN CC(C)(O)CN1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)nc2)C1 ZINC000873973394 641514004 /nfs/dbraw/zinc/51/40/04/641514004.db2.gz GMMDOQHMIRLLQV-NSHDSACASA-N 0 3 385.262 0.744 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000124924351 641523041 /nfs/dbraw/zinc/52/30/41/641523041.db2.gz IJIYTNOMXVRMKZ-UHFFFAOYSA-N 0 3 388.921 0.615 20 0 GCADHN O=C(NCCSCCC(F)(F)F)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000875154984 641538282 /nfs/dbraw/zinc/53/82/82/641538282.db2.gz AOJWUCWFXOLOAY-NWDGAFQWSA-N 0 3 383.436 0.768 20 0 GCADHN O=C(NCc1ccc(Br)cn1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000875155679 641539339 /nfs/dbraw/zinc/53/93/39/641539339.db2.gz HBBGBUOAVNADKD-KGLIPLIRSA-N 0 3 397.273 0.440 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cnn(C)c1Br ZINC000876475318 641563850 /nfs/dbraw/zinc/56/38/50/641563850.db2.gz JMIKGBOHKWEJTO-CQSZACIVSA-N 0 3 375.267 0.602 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)CSCC(=O)OC(C)(C)C ZINC000876473988 641563956 /nfs/dbraw/zinc/56/39/56/641563956.db2.gz WMUBCPBMWFEFPO-QGZVFWFLSA-N 0 3 376.519 0.867 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)[C@@H](N)CN(C)C)C2=O)ccc1Br ZINC000876895098 641571564 /nfs/dbraw/zinc/57/15/64/641571564.db2.gz VQDOQIWEOBUUGK-KBPBESRZSA-N 0 3 383.290 0.868 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876910818 641571725 /nfs/dbraw/zinc/57/17/25/641571725.db2.gz NIDCZDMDLPWHEP-NOZJJQNGSA-N 0 3 381.832 0.821 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877347272 641578837 /nfs/dbraw/zinc/57/88/37/641578837.db2.gz SGXCUULYLMCARM-HZPDHXFCSA-N 0 3 385.555 0.878 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1F ZINC000877362437 641579492 /nfs/dbraw/zinc/57/94/92/641579492.db2.gz COICCMXAHXIBNA-UWVGGRQHSA-N 0 3 383.367 0.943 20 0 GCADHN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)S(=O)(=O)N1CCNCC1 ZINC000923661466 641584026 /nfs/dbraw/zinc/58/40/26/641584026.db2.gz FTJLLJMDSCBXOJ-CYBMUJFWSA-N 0 3 398.312 0.815 20 0 GCADHN Cn1ncc(I)c1CNCC1CCS(=O)(=O)CC1 ZINC000877774420 641584684 /nfs/dbraw/zinc/58/46/84/641584684.db2.gz JEKDLNLKSPWPIO-UHFFFAOYSA-N 0 3 383.255 0.939 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1CCCCS1(=O)=O ZINC000878589074 641597709 /nfs/dbraw/zinc/59/77/09/641597709.db2.gz DCBMHMVCRDSFDG-UHFFFAOYSA-N 0 3 377.507 0.144 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@H](CO)C1CC1 ZINC000799320967 641603094 /nfs/dbraw/zinc/60/30/94/641603094.db2.gz OHAQQUPVLBHWHV-CYBMUJFWSA-N 0 3 376.500 0.071 20 0 GCADHN C[NH+](C)CCCNC(=S)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000799507272 641607492 /nfs/dbraw/zinc/60/74/92/641607492.db2.gz UYJCFCNUGIWHSX-UHFFFAOYSA-N 0 3 380.486 0.659 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC000879561468 641616140 /nfs/dbraw/zinc/61/61/40/641616140.db2.gz PCUMOHHQQLCQMM-HUUCEWRRSA-N 0 3 383.539 0.678 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cc(Br)nn1C ZINC000879637434 641616973 /nfs/dbraw/zinc/61/69/73/641616973.db2.gz SKUBKOOUSKPMIN-UHFFFAOYSA-N 0 3 375.271 0.666 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCC1)c1cccnc1I ZINC000879998562 641624121 /nfs/dbraw/zinc/62/41/21/641624121.db2.gz VCGOSPKGAWZJFH-SNVBAGLBSA-N 0 3 375.210 0.873 20 0 GCADHN COC(=O)[C@]1(NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CCSC1 ZINC000867027181 641624243 /nfs/dbraw/zinc/62/42/43/641624243.db2.gz AGHINKKNVOAFQR-ZBEGNZNMSA-N 0 3 375.491 0.606 20 0 GCADHN Cn1cc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(Br)n1 ZINC000880045882 641625449 /nfs/dbraw/zinc/62/54/49/641625449.db2.gz OAPUBJVDRAZDJW-UHFFFAOYSA-N 0 3 399.293 0.955 20 0 GCADHN CN1CCN(C2CCN(C(=O)Nc3csc(S(N)(=O)=O)c3)CC2)CC1 ZINC000880931196 641637077 /nfs/dbraw/zinc/63/70/77/641637077.db2.gz HQGKQNBPFGIONF-UHFFFAOYSA-N 0 3 387.531 0.639 20 0 GCADHN C[C@@]1(Cn2cc(CNS(=O)(=O)N3CCNCC3)nn2)CC1(Cl)Cl ZINC000881431913 641641771 /nfs/dbraw/zinc/64/17/71/641641771.db2.gz XVERDZWSQDFTEK-NSHDSACASA-N 0 3 383.305 0.102 20 0 GCADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000881621967 641643747 /nfs/dbraw/zinc/64/37/47/641643747.db2.gz IPTOFKXPGLDQOQ-UHFFFAOYSA-N 0 3 398.305 0.978 20 0 GCADHN Cn1nnc(Br)c1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000881625239 641643830 /nfs/dbraw/zinc/64/38/30/641643830.db2.gz LHYJHIFNOOIJQT-UHFFFAOYSA-N 0 3 399.293 0.524 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1nc2c(s1)CSCC2 ZINC000806903764 641657281 /nfs/dbraw/zinc/65/72/81/641657281.db2.gz 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ZINC000810014688 641718440 /nfs/dbraw/zinc/71/84/40/641718440.db2.gz ALRRKLIJUFITMW-MRXNPFEDSA-N 0 3 379.523 0.523 20 0 GCADHN Cn1cc(S(=O)(=O)[N-]CCCN2CCC[N@H+](C)CC2)c(Br)n1 ZINC000882524619 641725318 /nfs/dbraw/zinc/72/53/18/641725318.db2.gz WEDVVFMLWWDELH-UHFFFAOYSA-N 0 3 394.339 0.489 20 0 GCADHN Cn1cc(S(=O)(=O)[N-]CCCN2CCC[N@@H+](C)CC2)c(Br)n1 ZINC000882524619 641725323 /nfs/dbraw/zinc/72/53/23/641725323.db2.gz WEDVVFMLWWDELH-UHFFFAOYSA-N 0 3 394.339 0.489 20 0 GCADHN C[C@H](CNC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)CN1CCN(C)CC1 ZINC000883460409 641752851 /nfs/dbraw/zinc/75/28/51/641752851.db2.gz WJUXNLGCPRQBSU-MNOVXSKESA-N 0 3 376.370 0.728 20 0 GCADHN CN1CCN(CCCCNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000883432609 641753236 /nfs/dbraw/zinc/75/32/36/641753236.db2.gz VWMSPSIVVMDRHE-LLVKDONJSA-N 0 3 376.370 0.872 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(Br)cn1 ZINC000884705649 641788962 /nfs/dbraw/zinc/78/89/62/641788962.db2.gz CFGHCPGPZMOVOV-JOYOIKCWSA-N 0 3 385.262 0.690 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CN(C[C@@](C)(O)CN1CCC[C@@H](CS(N)(=O)=O)C1)C(=O)OC(C)(C)C ZINC000844300874 642400185 /nfs/dbraw/zinc/40/01/85/642400185.db2.gz QXVSEHQSXYPIBM-CZUORRHYSA-N 0 3 379.523 0.605 20 0 GCADHN CON(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C)nc2c1CCCC2 ZINC000848957912 642569363 /nfs/dbraw/zinc/56/93/63/642569363.db2.gz XZDOMOOUWDXZHG-UHFFFAOYSA-N 0 3 391.515 0.646 20 0 GCADHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2C=CCC2)ccn1 ZINC000852904665 642778100 /nfs/dbraw/zinc/77/81/00/642778100.db2.gz NWPRQOJHPYDTEH-CYBMUJFWSA-N 0 3 388.515 0.917 20 0 GCADHN Cn1ncc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1I ZINC000381735855 677370212 /nfs/dbraw/zinc/37/02/12/677370212.db2.gz XYHXMGIRNVJWOP-UWVGGRQHSA-N 0 3 390.225 0.618 20 0 GCADHN Cn1ncc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1I ZINC000381735856 677370299 /nfs/dbraw/zinc/37/02/99/677370299.db2.gz XYHXMGIRNVJWOP-VHSXEESVSA-N 0 3 390.225 0.618 20 0 GCADHN CN(CCN1CCCC1=O)[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001027503761 1192170964 /nfs/dbraw/zinc/17/09/64/1192170964.db2.gz WRGBUNRJVJCRKH-LSTDLKDCSA-N 0 3 379.501 0.583 20 0 GCADHN C[C@H](O)[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000661772595 1192179845 /nfs/dbraw/zinc/17/98/45/1192179845.db2.gz KEYSNZMKRJTDAP-WMLDXEAASA-N 0 3 399.488 0.504 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CCN(C2CC2)C1 ZINC000652372710 1192205926 /nfs/dbraw/zinc/20/59/26/1192205926.db2.gz HNFDPSLZCQYPPR-KSSFIOAISA-N 0 3 377.460 0.788 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCn3ccnc3)cc2)CC1 ZINC000048918300 1192206587 /nfs/dbraw/zinc/20/65/87/1192206587.db2.gz NOHPUEKNTAENST-UHFFFAOYSA-N 0 3 384.484 0.776 20 0 GCADHN O=C(NCCN1C[C@@H]2CCCCN2C1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661983624 1192210975 /nfs/dbraw/zinc/21/09/75/1192210975.db2.gz JSMKEXIJRYSACC-DLBZAZTESA-N 0 3 379.505 0.829 20 0 GCADHN Cn1cc(N2CC[C@H](NC(=O)NC3CCN([C@@H]4CCOC4)CC3)C2=O)cn1 ZINC000661981723 1192211008 /nfs/dbraw/zinc/21/10/08/1192211008.db2.gz SXDFBJAIINOJPQ-ZBFHGGJFSA-N 0 3 376.461 0.078 20 0 GCADHN Cn1cc(N2CCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2=O)cn1 ZINC000661982219 1192211080 /nfs/dbraw/zinc/21/10/80/1192211080.db2.gz WHXRNCGWWUOPNH-HNNXBMFYSA-N 0 3 376.461 0.032 20 0 GCADHN Cc1cc(N2CC[C@@H](NC(=O)NC3CCN([C@@H]4CCOC4)CC3)C2=O)n(C)n1 ZINC000661981692 1192211115 /nfs/dbraw/zinc/21/11/15/1192211115.db2.gz SNUCQVZESHXGFL-HZPDHXFCSA-N 0 3 390.488 0.386 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N(C)CCN3CCCCC3)CC2)on1 ZINC000652396749 1192211781 /nfs/dbraw/zinc/21/17/81/1192211781.db2.gz UACHITHQIRFZBB-UHFFFAOYSA-N 0 3 377.489 0.572 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cccc(Oc3cnccn3)c2)CC1 ZINC000049279207 1192213641 /nfs/dbraw/zinc/21/36/41/1192213641.db2.gz NPPNFUFJVMFKJM-UHFFFAOYSA-N 0 3 398.467 0.961 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000049279743 1192213729 /nfs/dbraw/zinc/21/37/29/1192213729.db2.gz RVSRVWYMFNMEGK-UHFFFAOYSA-N 0 3 387.484 0.506 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCC[C@H]2C2CCCCC2)CC1=O ZINC000652403562 1192213962 /nfs/dbraw/zinc/21/39/62/1192213962.db2.gz VWNMLZJFWABICR-KRWDZBQOSA-N 0 3 378.517 0.790 20 0 GCADHN COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000893541655 1192215220 /nfs/dbraw/zinc/21/52/20/1192215220.db2.gz QXWYBZGBRDXGFA-BZSNNMDCSA-N 0 3 392.500 0.930 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](OC(C)C)C2)CC1 ZINC000652431500 1192221285 /nfs/dbraw/zinc/22/12/85/1192221285.db2.gz UOALYOQOLCRVSX-QGZVFWFLSA-N 0 3 396.532 0.415 20 0 GCADHN O=C(CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCC1)NC[C@@H]1CCCO1 ZINC001268039453 1192223577 /nfs/dbraw/zinc/22/35/77/1192223577.db2.gz USNMYPDCYXWMAJ-FWCYYJLNSA-N 0 3 391.512 0.724 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N(C)Cc2ccc(Cl)c(F)c2)CC1=O ZINC000652471917 1192229500 /nfs/dbraw/zinc/22/95/00/1192229500.db2.gz MMVKLQHLHSGZOE-UHFFFAOYSA-N 0 3 398.866 0.670 20 0 GCADHN CC(C)O[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000652471785 1192229700 /nfs/dbraw/zinc/22/97/00/1192229700.db2.gz GWEUWDNRELMIAA-SJORKVTESA-N 0 3 394.516 0.167 20 0 GCADHN CCc1cccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000652471708 1192229762 /nfs/dbraw/zinc/22/97/62/1192229762.db2.gz CVYAFAJCCZLRAW-SFHVURJKSA-N 0 3 386.496 0.630 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)O1 ZINC000978962383 1192243207 /nfs/dbraw/zinc/24/32/07/1192243207.db2.gz GJTLXIVRWQEORW-LQCKPJBFSA-N 0 3 375.473 0.243 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N1C[C@H](C)[C@@](C)(CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000662142838 1192245764 /nfs/dbraw/zinc/24/57/64/1192245764.db2.gz MVNJQEMNWRXLTO-WZTLGTBRSA-N 0 3 383.514 0.850 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000979118360 1192252036 /nfs/dbraw/zinc/25/20/36/1192252036.db2.gz DZUNIXLILKUZHD-PYOGLGTISA-N 0 3 376.457 0.323 20 0 GCADHN COC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001719824847 1192262718 /nfs/dbraw/zinc/26/27/18/1192262718.db2.gz KXRTYJXRAZIAFG-FXUDXRNXSA-N 0 3 380.489 0.853 20 0 GCADHN CCOC[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)CCO1 ZINC000636699642 1192269431 /nfs/dbraw/zinc/26/94/31/1192269431.db2.gz QFVOOOWCGPLAEH-INIZCTEOSA-N 0 3 385.505 0.256 20 0 GCADHN Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3CN(C)CCN3C)C2)cc1 ZINC000636702839 1192272298 /nfs/dbraw/zinc/27/22/98/1192272298.db2.gz ZUBPGDSTGAIDTN-MOPGFXCFSA-N 0 3 387.528 0.048 20 0 GCADHN C[C@@H]1CN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C[C@@H](CO)O1 ZINC000188585419 1192286144 /nfs/dbraw/zinc/28/61/44/1192286144.db2.gz YHIZKSXYGNUQTD-APWZRJJASA-N 0 3 376.501 0.725 20 0 GCADHN CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C1CCSCC1 ZINC000549596729 1192288795 /nfs/dbraw/zinc/28/87/95/1192288795.db2.gz CKDLESRWDIUIRM-HNNXBMFYSA-N 0 3 384.546 0.257 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000162356936 1192293446 /nfs/dbraw/zinc/29/34/46/1192293446.db2.gz CZTIBPSFWKTBIY-QGZVFWFLSA-N 0 3 380.439 0.819 20 0 GCADHN CN1CCN(C(=O)c2ccccc2NC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000626253775 1192294122 /nfs/dbraw/zinc/29/41/22/1192294122.db2.gz ZGWNHHYFRKOWSN-HNNXBMFYSA-N 0 3 375.473 0.262 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C[C@H](CO)O1 ZINC000188628705 1192294770 /nfs/dbraw/zinc/29/47/70/1192294770.db2.gz QXDCQGRGKVMACV-UYAOXDASSA-N 0 3 390.528 0.986 20 0 GCADHN O=C(c1cccc2c1CNC2)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000662468338 1192301187 /nfs/dbraw/zinc/30/11/87/1192301187.db2.gz SHSLCDISARENEV-UHFFFAOYSA-N 0 3 394.479 0.879 20 0 GCADHN O=C(NCCN1CC[C@@H](O)C1)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000636769460 1192302910 /nfs/dbraw/zinc/30/29/10/1192302910.db2.gz KBHXAMHRTYYQOU-RTBURBONSA-N 0 3 376.501 0.296 20 0 GCADHN C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000980126395 1192307985 /nfs/dbraw/zinc/30/79/85/1192307985.db2.gz PSTKEJBDPNDJSO-QQPKDZIPSA-N 0 3 379.501 0.391 20 0 GCADHN O=C(c1cccc2c1CNC2)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000662531897 1192311875 /nfs/dbraw/zinc/31/18/75/1192311875.db2.gz LAVBFLFHAHUAMH-HNNXBMFYSA-N 0 3 379.482 0.556 20 0 GCADHN Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000278869478 1192310586 /nfs/dbraw/zinc/31/05/86/1192310586.db2.gz GDHYKZTXTQXRMZ-CQSZACIVSA-N 0 3 397.497 0.110 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000153148700 1192322691 /nfs/dbraw/zinc/32/26/91/1192322691.db2.gz NMTVLKVVZPYSDC-CHWSQXEVSA-N 0 3 390.406 0.162 20 0 GCADHN COc1ccc([C@@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)N2CCOCC2)cc1 ZINC000663435036 1192335898 /nfs/dbraw/zinc/33/58/98/1192335898.db2.gz OCDNMBQUCQURRN-QYZOEREBSA-N 0 3 392.500 0.385 20 0 GCADHN COc1cc(CN2CC[C@H](NC(=O)NCCN3CC[C@H](O)C3)C2)cc(OC)c1 ZINC000636915750 1192340069 /nfs/dbraw/zinc/34/00/69/1192340069.db2.gz WJFSHDKQBKCZOO-IRXDYDNUSA-N 0 3 392.500 0.644 20 0 GCADHN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1 ZINC000408271006 1192352081 /nfs/dbraw/zinc/35/20/81/1192352081.db2.gz UEOJBTKKEBQTMK-DZGCQCFKSA-N 0 3 388.534 0.747 20 0 GCADHN CCOC(=O)C1CCN(S(=O)(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000432327732 1192352377 /nfs/dbraw/zinc/35/23/77/1192352377.db2.gz IGOCXUIYQDUHFK-HNNXBMFYSA-N 0 3 391.534 0.597 20 0 GCADHN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893620749 1192359689 /nfs/dbraw/zinc/35/96/89/1192359689.db2.gz LUGRKPYQXHSVHZ-JQHSSLGASA-N 0 3 380.510 0.869 20 0 GCADHN Cn1ccnc1C(NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1nccn1C ZINC000637007283 1192364378 /nfs/dbraw/zinc/36/43/78/1192364378.db2.gz RELDBMAIBHELGA-CABCVRRESA-N 0 3 399.499 0.492 20 0 GCADHN Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+](C)C ZINC001719842207 1192367035 /nfs/dbraw/zinc/36/70/35/1192367035.db2.gz PKUNBDDTKDUKQB-KBMXLJTQSA-N 0 3 375.473 0.623 20 0 GCADHN O=C(NC[C@H]1CCCN1CC(F)F)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000637020052 1192367548 /nfs/dbraw/zinc/36/75/48/1192367548.db2.gz RRKSALHJJPTCPH-CABCVRRESA-N 0 3 388.459 0.202 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C[C@](C)(C(F)F)O1 ZINC000663537697 1192378344 /nfs/dbraw/zinc/37/83/44/1192378344.db2.gz ZBIBQKFSYAPHJR-QWQRMKEZSA-N 0 3 391.459 0.827 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[C@@](C)(C(F)F)O1 ZINC000663537696 1192378496 /nfs/dbraw/zinc/37/84/96/1192378496.db2.gz ZBIBQKFSYAPHJR-LBTNJELSSA-N 0 3 391.459 0.827 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)C[C@@H]1O ZINC000663544872 1192381895 /nfs/dbraw/zinc/38/18/95/1192381895.db2.gz CRXJCRPSRCSAKI-ROUUACIJSA-N 0 3 389.500 0.406 20 0 GCADHN C[C@@H](CCN1CCN(Cc2ncc[nH]2)CC1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000431604957 1192388234 /nfs/dbraw/zinc/38/82/34/1192388234.db2.gz QUSBLVUSLUQMPT-SFHVURJKSA-N 0 3 386.548 0.847 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC000663558544 1192388658 /nfs/dbraw/zinc/38/86/58/1192388658.db2.gz SGYHPYVMMBAHCI-QZTJIDSGSA-N 0 3 393.576 0.955 20 0 GCADHN Cn1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1=O ZINC001028046424 1192395055 /nfs/dbraw/zinc/39/50/55/1192395055.db2.gz CZRFAWUYHPSLIN-MJQMVNBJSA-N 0 3 375.469 0.517 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@H](N2CCOCC2)CC1 ZINC000585716914 1192396213 /nfs/dbraw/zinc/39/62/13/1192396213.db2.gz DFTKLHLXMUENPG-STQMWFEESA-N 0 3 380.411 0.950 20 0 GCADHN C[C@@H]1CN(c2ccc(CNC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cn2)C[C@H](C)O1 ZINC000663589380 1192404776 /nfs/dbraw/zinc/40/47/76/1192404776.db2.gz JDBHVHGXQPSQKV-FSDCSDTHSA-N 0 3 377.489 0.512 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000585772844 1192407372 /nfs/dbraw/zinc/40/73/72/1192407372.db2.gz PVAIGVAZONGQKC-UHFFFAOYSA-N 0 3 383.489 0.452 20 0 GCADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@H]1C ZINC000585773977 1192410106 /nfs/dbraw/zinc/41/01/06/1192410106.db2.gz QKBCECJNRDXNFG-QLVMHMETSA-N 0 3 389.496 0.933 20 0 GCADHN CN1CCN(CCCCNC(=O)NCc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000050111341 1192449290 /nfs/dbraw/zinc/44/92/90/1192449290.db2.gz ARKPSRVGYDZHME-UHFFFAOYSA-N 0 3 397.545 0.885 20 0 GCADHN COc1ccc(COC[C@H](O)CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000279140447 1192472930 /nfs/dbraw/zinc/47/29/30/1192472930.db2.gz XKUKATVKDHDNQN-AUUYWEPGSA-N 0 3 393.440 0.255 20 0 GCADHN O=C([C@@H]1CCCN1C1CC1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000279179513 1192478899 /nfs/dbraw/zinc/47/88/99/1192478899.db2.gz LUOYNYIIHYJPQS-KRWDZBQOSA-N 0 3 386.500 0.589 20 0 GCADHN Cc1nc(Cn2cc(C(=O)NC3CCN(CCOC(C)C)CC3)nn2)no1 ZINC000279223231 1192489229 /nfs/dbraw/zinc/48/92/29/1192489229.db2.gz QMEMVYRZFXXFML-UHFFFAOYSA-N 0 3 377.449 0.637 20 0 GCADHN CCC[C@H](C)C(=O)NCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000432504828 1192489985 /nfs/dbraw/zinc/48/99/85/1192489985.db2.gz AAHUZMHKHNZGDB-INIZCTEOSA-N 0 3 381.521 0.488 20 0 GCADHN COC(C)(C)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000473218977 1192496382 /nfs/dbraw/zinc/49/63/82/1192496382.db2.gz BTZRKYAFBSLARH-UHFFFAOYSA-N 0 3 378.429 0.636 20 0 GCADHN CCCC(=O)N1CSC[C@@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000432525951 1192509074 /nfs/dbraw/zinc/50/90/74/1192509074.db2.gz WZOPGEHKWXVLHO-MRXNPFEDSA-N 0 3 386.562 0.194 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000663739323 1192517796 /nfs/dbraw/zinc/51/77/96/1192517796.db2.gz KILPTJLNOHAJFL-INIZCTEOSA-N 0 3 380.514 0.855 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2noc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000663723387 1192514492 /nfs/dbraw/zinc/51/44/92/1192514492.db2.gz XEMOBJJFGIJHNP-AWEZNQCLSA-N 0 3 393.469 0.218 20 0 GCADHN O=C(CCN1CCN(c2ccccc2)CC1)N(CCO)CCN1CCOCC1 ZINC000434907097 1192520641 /nfs/dbraw/zinc/52/06/41/1192520641.db2.gz ZVDMIICZIJYXND-UHFFFAOYSA-N 0 3 390.528 0.352 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CCCO)CC[C@@H]2c2ccccc2)O1 ZINC001087437122 1192523678 /nfs/dbraw/zinc/52/36/78/1192523678.db2.gz BFUVIVDEHRTUOA-ZJPYXAASSA-N 0 3 375.469 0.376 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000663749690 1192527935 /nfs/dbraw/zinc/52/79/35/1192527935.db2.gz YZEGBJKXFHDEIR-UHFFFAOYSA-N 0 3 377.489 0.306 20 0 GCADHN O=C(CNC(=O)NC1CCCCC1)NCCCCN1CCN(CCO)CC1 ZINC000432529064 1192531443 /nfs/dbraw/zinc/53/14/43/1192531443.db2.gz BQJNWIZNZUTOMQ-UHFFFAOYSA-N 0 3 383.537 0.125 20 0 GCADHN Cc1ccn(C[C@@](C)(O)C(=O)NC2CCN(CCOC(C)C)CC2)c(=O)c1 ZINC000279386840 1192534929 /nfs/dbraw/zinc/53/49/29/1192534929.db2.gz VKMORWYQUFHNCB-HXUWFJFHSA-N 0 3 379.501 0.913 20 0 GCADHN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000432533545 1192538409 /nfs/dbraw/zinc/53/84/09/1192538409.db2.gz DQZBJONLXQZPMU-GOSISDBHSA-N 0 3 396.576 0.920 20 0 GCADHN Cc1ccn2c(c1)ncc(C(=O)NCCCCN1CCN(CCO)CC1)c2=O ZINC000432534858 1192539471 /nfs/dbraw/zinc/53/94/71/1192539471.db2.gz HTLIVYJGZLHNIQ-UHFFFAOYSA-N 0 3 387.484 0.123 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000432545075 1192549275 /nfs/dbraw/zinc/54/92/75/1192549275.db2.gz ZJCLDGXYJXIMRB-QGZVFWFLSA-N 0 3 392.475 0.758 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC(=O)N(CC4CC4)C3)c2)CC1 ZINC000279613086 1192564601 /nfs/dbraw/zinc/56/46/01/1192564601.db2.gz ZMTMHEVTAIKEBJ-UHFFFAOYSA-N 0 3 399.495 0.805 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cnn(C[C@@H](O)CO)c1 ZINC000613992022 1192564690 /nfs/dbraw/zinc/56/46/90/1192564690.db2.gz GHZQFGDZRRIYFU-RTBURBONSA-N 0 3 388.468 0.257 20 0 GCADHN CCN1CCN(CCNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)CC1 ZINC000279723093 1192590404 /nfs/dbraw/zinc/59/04/04/1192590404.db2.gz IPIDJZZUCIPQOP-UHFFFAOYSA-N 0 3 391.545 0.759 20 0 GCADHN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000549662926 1192600695 /nfs/dbraw/zinc/60/06/95/1192600695.db2.gz SGCNFKLPTIQBEQ-PBHICJAKSA-N 0 3 384.502 0.109 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1N(C)C ZINC000123175748 1192605613 /nfs/dbraw/zinc/60/56/13/1192605613.db2.gz OVXTXGBDKWKINL-QGZVFWFLSA-N 0 3 394.541 0.988 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cccc(N3CCC3=O)c2)CCSC1 ZINC000279827128 1192609173 /nfs/dbraw/zinc/60/91/73/1192609173.db2.gz AXGOHONBUMCYPX-GOSISDBHSA-N 0 3 376.482 0.915 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000432718191 1192637217 /nfs/dbraw/zinc/63/72/17/1192637217.db2.gz OIAFBXGOLVPOAL-KGLIPLIRSA-N 0 3 390.550 0.009 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cnn(CC(C)C)c2C)CC1 ZINC000500521623 1192637395 /nfs/dbraw/zinc/63/73/95/1192637395.db2.gz UGWPMXGSTQZBEC-HNNXBMFYSA-N 0 3 378.521 0.928 20 0 GCADHN CCOC(=O)c1ccc(N2CCCN(C(=O)NC[C@H]3CNCCO3)CC2)nc1 ZINC000418777853 1192642796 /nfs/dbraw/zinc/64/27/96/1192642796.db2.gz YXCIZXQSYUNMNP-MRXNPFEDSA-N 0 3 391.472 0.468 20 0 GCADHN Cc1ccccc1C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000418787365 1192643946 /nfs/dbraw/zinc/64/39/46/1192643946.db2.gz UEYPIELMABDXTD-MAUKXSAKSA-N 0 3 384.484 0.956 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)NCCN1CCNC(=O)C1)c1cccc(OC)c1 ZINC000512396142 1192645383 /nfs/dbraw/zinc/64/53/83/1192645383.db2.gz IOXXAMJWYHWHMW-SFHVURJKSA-N 0 3 391.516 0.809 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)c2cccnc12 ZINC000509744340 1192646208 /nfs/dbraw/zinc/64/62/08/1192646208.db2.gz RVCVLOJSJGJMHI-LBPRGKRZSA-N 0 3 388.424 0.791 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccnc(OC2CCC2)c1 ZINC000418807683 1192651231 /nfs/dbraw/zinc/65/12/31/1192651231.db2.gz PZIKKRFZSWSSRT-WFASDCNBSA-N 0 3 376.457 0.858 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000418812877 1192653053 /nfs/dbraw/zinc/65/30/53/1192653053.db2.gz CDOVXGPBNUPEQQ-LJISPDSOSA-N 0 3 380.489 0.123 20 0 GCADHN O=C(NCCc1cccc(OCC(F)(F)F)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000418820436 1192658244 /nfs/dbraw/zinc/65/82/44/1192658244.db2.gz FNTVWYFOWDYFTM-AWEZNQCLSA-N 0 3 389.374 0.391 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@H](N)c1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000418831835 1192659210 /nfs/dbraw/zinc/65/92/10/1192659210.db2.gz PISJBQVWAHJCEM-KDOFPFPSSA-N 0 3 380.448 0.850 20 0 GCADHN CS(=O)(=O)C1(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CCC1 ZINC000418837758 1192662205 /nfs/dbraw/zinc/66/22/05/1192662205.db2.gz WVCCRUVRTIBAEM-LSDHHAIUSA-N 0 3 397.472 0.162 20 0 GCADHN O=C(NCc1cccc(COc2ccccc2)c1)C(=O)NC[C@H]1CNCCO1 ZINC000418852623 1192666527 /nfs/dbraw/zinc/66/65/27/1192666527.db2.gz VPPAPXZBXPXHHA-LJQANCHMSA-N 0 3 383.448 0.986 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccccc1Cl ZINC000418857160 1192668951 /nfs/dbraw/zinc/66/89/51/1192668951.db2.gz YMQUVAOYMKFIAP-PBHICJAKSA-N 0 3 396.919 0.944 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cncn1 ZINC000418879130 1192674710 /nfs/dbraw/zinc/67/47/10/1192674710.db2.gz BMKCYRLSEKBZBE-BBRMVZONSA-N 0 3 386.456 0.172 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cncn1 ZINC000418879137 1192674722 /nfs/dbraw/zinc/67/47/22/1192674722.db2.gz BMKCYRLSEKBZBE-XJKSGUPXSA-N 0 3 386.456 0.172 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1c(F)cccc1-n1cccn1 ZINC000418908042 1192686277 /nfs/dbraw/zinc/68/62/77/1192686277.db2.gz SCXHYMWMLXPPGK-SWLSCSKDSA-N 0 3 389.431 0.857 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000418915486 1192688112 /nfs/dbraw/zinc/68/81/12/1192688112.db2.gz UYYYAQCEAYSLFJ-BPUTZDHNSA-N 0 3 394.516 0.656 20 0 GCADHN COc1cc(OC)c(OC)cc1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000418920942 1192691765 /nfs/dbraw/zinc/69/17/65/1192691765.db2.gz LEDVDIFGNRNONG-WCQYABFASA-N 0 3 395.456 0.558 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000418946283 1192698410 /nfs/dbraw/zinc/69/84/10/1192698410.db2.gz LEUFDNSJCHZCPF-RHSMWYFYSA-N 0 3 375.425 0.130 20 0 GCADHN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418949284 1192699434 /nfs/dbraw/zinc/69/94/34/1192699434.db2.gz NWGKYMGGGXUKCF-NEPJUHHUSA-N 0 3 389.374 0.694 20 0 GCADHN CCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001745682811 1192706195 /nfs/dbraw/zinc/70/61/95/1192706195.db2.gz LBDONXSHESXZIN-MRXNPFEDSA-N 0 3 376.505 0.969 20 0 GCADHN N[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1 ZINC000418970570 1192707361 /nfs/dbraw/zinc/70/73/61/1192707361.db2.gz WSKHETVDSAUJNV-CHWSQXEVSA-N 0 3 386.374 0.472 20 0 GCADHN CCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001745682810 1192705941 /nfs/dbraw/zinc/70/59/41/1192705941.db2.gz LBDONXSHESXZIN-INIZCTEOSA-N 0 3 376.505 0.969 20 0 GCADHN CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCN2CC[NH2+]CC2)ccc1F ZINC000236672697 1192713300 /nfs/dbraw/zinc/71/33/00/1192713300.db2.gz CGKCNGZHJUSFEI-UHFFFAOYSA-N 0 3 386.493 0.538 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1-c1cnn(C)c1 ZINC000419005742 1192715814 /nfs/dbraw/zinc/71/58/14/1192715814.db2.gz ZTMFBFXUVGMGDV-SUMWQHHRSA-N 0 3 385.468 0.933 20 0 GCADHN C[C@H]1CN(CCC2CCN(C(=O)C(=O)N(C)CC(C)(C)O)CC2)C[C@H](C)O1 ZINC000410575077 1192723388 /nfs/dbraw/zinc/72/33/88/1192723388.db2.gz MJQHJOGIABSYKE-HOTGVXAUSA-N 0 3 383.533 0.954 20 0 GCADHN COc1ccc(OCCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419020288 1192722238 /nfs/dbraw/zinc/72/22/38/1192722238.db2.gz WTJUAJCMYJQSDR-CZUORRHYSA-N 0 3 379.457 0.810 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000419019827 1192722584 /nfs/dbraw/zinc/72/25/84/1192722584.db2.gz DYHOOQLSTVXKIR-WFASDCNBSA-N 0 3 389.431 0.857 20 0 GCADHN COc1cccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)c1OC1CCCC1 ZINC000419031876 1192731202 /nfs/dbraw/zinc/73/12/02/1192731202.db2.gz JGCGJBDDJQOTAC-MRXNPFEDSA-N 0 3 391.468 0.737 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000432810749 1192733349 /nfs/dbraw/zinc/73/33/49/1192733349.db2.gz ARSCDQNFEFDHIO-AWEZNQCLSA-N 0 3 399.517 0.906 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCCCO2)CC1 ZINC000500746374 1192737281 /nfs/dbraw/zinc/73/72/81/1192737281.db2.gz HNZLPAPWWGQYDK-HZPDHXFCSA-N 0 3 382.505 0.073 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1N1CCOCC1 ZINC000419044019 1192737869 /nfs/dbraw/zinc/73/78/69/1192737869.db2.gz KZPRLQCLZGOOLJ-GOEBONIOSA-N 0 3 390.484 0.369 20 0 GCADHN CC(=O)N(C)C1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000728916758 1192741423 /nfs/dbraw/zinc/74/14/23/1192741423.db2.gz PFKZUCPCCVZFFJ-UHFFFAOYSA-N 0 3 393.488 0.605 20 0 GCADHN CCS(=O)(=O)CCCNC(=O)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000419051357 1192748877 /nfs/dbraw/zinc/74/88/77/1192748877.db2.gz BDCVJWOALBRIIJ-INIZCTEOSA-N 0 3 383.514 0.867 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419051588 1192749408 /nfs/dbraw/zinc/74/94/08/1192749408.db2.gz BQDWBYJSTHXQMJ-GLQYFDAESA-N 0 3 392.431 0.276 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419051590 1192749609 /nfs/dbraw/zinc/74/96/09/1192749609.db2.gz BQDWBYJSTHXQMJ-TUKIKUTGSA-N 0 3 392.431 0.276 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NC[C@H](N)c2ccccc2)C[C@H](C)O1 ZINC000419062817 1192758623 /nfs/dbraw/zinc/75/86/23/1192758623.db2.gz HDXQPTWAWOHTMK-UXLLHSPISA-N 0 3 376.501 0.807 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000237729555 1192760877 /nfs/dbraw/zinc/76/08/77/1192760877.db2.gz KIALVGJIENWLLV-KRWDZBQOSA-N 0 3 394.903 0.873 20 0 GCADHN CC(C)(C)[C@H](N)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC000262599796 1192767543 /nfs/dbraw/zinc/76/75/43/1192767543.db2.gz BAWCWQJWBFRROR-OAHLLOKOSA-N 0 3 375.429 0.879 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000419073553 1192769466 /nfs/dbraw/zinc/76/94/66/1192769466.db2.gz MXNZGSOEFDQING-AAEUAGOBSA-N 0 3 379.413 0.140 20 0 GCADHN NC(=O)[C@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCO1 ZINC000051645572 1192773614 /nfs/dbraw/zinc/77/36/14/1192773614.db2.gz YJMZLTBATXBBPJ-MRXNPFEDSA-N 0 3 378.498 0.996 20 0 GCADHN CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000419085421 1192782782 /nfs/dbraw/zinc/78/27/82/1192782782.db2.gz BWKQNLCJHGRSIK-TUKIKUTGSA-N 0 3 385.461 0.018 20 0 GCADHN NC(=O)[C@@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000051685606 1192788153 /nfs/dbraw/zinc/78/81/53/1192788153.db2.gz WYXPUMRCEJYKAS-SFHVURJKSA-N 0 3 389.500 0.090 20 0 GCADHN C[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)[C@@H]1CN ZINC000419097892 1192785171 /nfs/dbraw/zinc/78/51/71/1192785171.db2.gz QFIVEAQWVHEWSL-IUODEOHRSA-N 0 3 385.461 0.301 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCS[C@H](C)[C@@H]2C)CC1 ZINC000410654325 1192792938 /nfs/dbraw/zinc/79/29/38/1192792938.db2.gz PDXAAFKBYAEHCD-LSDHHAIUSA-N 0 3 384.546 0.351 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000419122812 1192795564 /nfs/dbraw/zinc/79/55/64/1192795564.db2.gz GCSCWTVECVGBFR-KRWDZBQOSA-N 0 3 380.448 0.898 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1=O ZINC000500804289 1192795690 /nfs/dbraw/zinc/79/56/90/1192795690.db2.gz JBOLGRSNIXYYCT-DLBZAZTESA-N 0 3 390.484 0.623 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC(=O)N1C ZINC000410666510 1192798559 /nfs/dbraw/zinc/79/85/59/1192798559.db2.gz FFKICRSUOZOVHG-ZVZYQTTQSA-N 0 3 387.484 0.222 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000419114157 1192800149 /nfs/dbraw/zinc/80/01/49/1192800149.db2.gz MGRHRMWJTIHWRF-BFYDXBDKSA-N 0 3 395.525 0.941 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CNC(C)(C)COCc2ccccc2)CC1 ZINC000500815251 1192803768 /nfs/dbraw/zinc/80/37/68/1192803768.db2.gz LJMGLPZHDORLNB-UHFFFAOYSA-N 0 3 390.528 0.804 20 0 GCADHN C[C@@H]1CCC[C@@H](C)N(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000410668806 1192803444 /nfs/dbraw/zinc/80/34/44/1192803444.db2.gz NNAGAWYZZHZEHE-BRWVUGGUSA-N 0 3 378.517 0.789 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(OCC2CC2)c(F)c1 ZINC000419160782 1192819891 /nfs/dbraw/zinc/81/98/91/1192819891.db2.gz IAHVGVVYPQTSGV-WFASDCNBSA-N 0 3 379.432 0.896 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1Cl ZINC000419164996 1192822072 /nfs/dbraw/zinc/82/20/72/1192822072.db2.gz NNQCEMMRXVBAFV-SMDDNHRTSA-N 0 3 396.875 0.415 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419165102 1192822340 /nfs/dbraw/zinc/82/23/40/1192822340.db2.gz AZDSSOCVTRBDBS-DOMZBBRYSA-N 0 3 397.497 0.326 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1Cl ZINC000419164992 1192822538 /nfs/dbraw/zinc/82/25/38/1192822538.db2.gz NNQCEMMRXVBAFV-FZMZJTMJSA-N 0 3 396.875 0.415 20 0 GCADHN CC(=O)Nc1ccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419171308 1192825404 /nfs/dbraw/zinc/82/54/04/1192825404.db2.gz OWTKEOKEIDBZHQ-MLGOLLRUSA-N 0 3 376.457 0.533 20 0 GCADHN CSCC[C@H](C)N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000410693510 1192835408 /nfs/dbraw/zinc/83/54/08/1192835408.db2.gz MKZNERUYLDMOKO-HNNXBMFYSA-N 0 3 384.546 0.353 20 0 GCADHN CC(=O)N[C@@H](C)C1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000410709128 1192844875 /nfs/dbraw/zinc/84/48/75/1192844875.db2.gz MIFZQEORVDUHSY-HNNXBMFYSA-N 0 3 392.500 0.933 20 0 GCADHN CC(C)N1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC1=O ZINC000410708339 1192845327 /nfs/dbraw/zinc/84/53/27/1192845327.db2.gz IKIRXCOZJBWWMR-UHFFFAOYSA-N 0 3 380.514 0.718 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000473270653 1192850343 /nfs/dbraw/zinc/85/03/43/1192850343.db2.gz PZFJINVVGOSPMN-HNNXBMFYSA-N 0 3 394.497 0.070 20 0 GCADHN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893775976 1192852511 /nfs/dbraw/zinc/85/25/11/1192852511.db2.gz UHMQHZNMDNKPFY-HZSPNIEDSA-N 0 3 392.422 0.780 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000047962177 1192865268 /nfs/dbraw/zinc/86/52/68/1192865268.db2.gz DUJZBQAHTJMVJM-UHFFFAOYSA-N 0 3 388.516 0.764 20 0 GCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000893877026 1192870680 /nfs/dbraw/zinc/87/06/80/1192870680.db2.gz DNMVRPMRAHEUGB-XLNGHYISSA-N 0 3 380.514 0.998 20 0 GCADHN CCOC(=O)Cn1cc(CN2CC[C@H](C(=O)OC)C2)c(-c2cnn(C)c2)n1 ZINC000893950041 1192883068 /nfs/dbraw/zinc/88/30/68/1192883068.db2.gz XXOGHHLHMHNPBL-ZDUSSCGKSA-N 0 3 375.429 0.842 20 0 GCADHN CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)N1CCOCC1 ZINC000549787194 1192882737 /nfs/dbraw/zinc/88/27/37/1192882737.db2.gz QHLSHDDPVXXXEW-CEXWTWQISA-N 0 3 394.560 0.935 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCNc3cnccn3)c2)CC1 ZINC000473382678 1192883454 /nfs/dbraw/zinc/88/34/54/1192883454.db2.gz LNCJQRBCYCAFII-UHFFFAOYSA-N 0 3 397.483 0.785 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000549796655 1192884938 /nfs/dbraw/zinc/88/49/38/1192884938.db2.gz IBVMRAZRQJVRRU-CVEARBPZSA-N 0 3 378.517 0.694 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)c2)CC1 ZINC000473407860 1192890613 /nfs/dbraw/zinc/89/06/13/1192890613.db2.gz JWIGQYVOQVCEBJ-IPELMVKDSA-N 0 3 386.496 0.996 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)c2)CC1 ZINC000473407866 1192890977 /nfs/dbraw/zinc/89/09/77/1192890977.db2.gz JWIGQYVOQVCEBJ-ZYSHUDEJSA-N 0 3 386.496 0.996 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)c2)CC1 ZINC000473407862 1192891293 /nfs/dbraw/zinc/89/12/93/1192891293.db2.gz JWIGQYVOQVCEBJ-KFKAGJAMSA-N 0 3 386.496 0.996 20 0 GCADHN CCn1cc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)nn1 ZINC000894016665 1192893073 /nfs/dbraw/zinc/89/30/73/1192893073.db2.gz CWPVOLBTOXRELY-OAHLLOKOSA-N 0 3 386.504 0.234 20 0 GCADHN CCC[C@H]1CNCCN1C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000419211319 1192895839 /nfs/dbraw/zinc/89/58/39/1192895839.db2.gz XBAYYNUMQDCKOF-KRWDZBQOSA-N 0 3 388.516 0.050 20 0 GCADHN Cc1c(C[C@H](CNC(=O)OC(C)(C)C)CN2C[C@H](O)C[C@H](O)C2)cnn1C ZINC000894084627 1192897502 /nfs/dbraw/zinc/89/75/02/1192897502.db2.gz KTFIJOXBYDPAHA-OIISXLGYSA-N 0 3 382.505 0.839 20 0 GCADHN CC[C@H]1CCC[C@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000575238507 1192901823 /nfs/dbraw/zinc/90/18/23/1192901823.db2.gz IJAPNADLGLFOHX-ROUUACIJSA-N 0 3 382.549 0.578 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)C[C@@H]21 ZINC000410855630 1192910958 /nfs/dbraw/zinc/91/09/58/1192910958.db2.gz OQZKXHBYCXPAIP-AEFFLSMTSA-N 0 3 389.471 0.884 20 0 GCADHN O=C1N[C@@H](CN2CCCCC2)C(=O)N1C[C@H](N1CCOCC1)C(F)(F)F ZINC000924862559 1192911202 /nfs/dbraw/zinc/91/12/02/1192911202.db2.gz WKKYECFEYIODMJ-STQMWFEESA-N 0 3 378.395 0.656 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)N(CCO)CC(F)F)CC2)C[C@H](C)O1 ZINC000410866011 1192911322 /nfs/dbraw/zinc/91/13/22/1192911322.db2.gz RRCAIECFUMSVQK-KBPBESRZSA-N 0 3 391.459 0.420 20 0 GCADHN CC(=O)N1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC12CCCCC2 ZINC000410912674 1192914186 /nfs/dbraw/zinc/91/41/86/1192914186.db2.gz GVPZEXBPOAVPNY-UHFFFAOYSA-N 0 3 378.517 0.933 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000410916103 1192916349 /nfs/dbraw/zinc/91/63/49/1192916349.db2.gz PHPBSUMNALAIHP-FQEVSTJZSA-N 0 3 396.532 0.461 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000410966933 1192920687 /nfs/dbraw/zinc/92/06/87/1192920687.db2.gz GJAXDJQGVMFODT-ZNMIVQPWSA-N 0 3 376.457 0.763 20 0 GCADHN COC[C@@H](C)n1ccc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000432966994 1192920735 /nfs/dbraw/zinc/92/07/35/1192920735.db2.gz WCSWWJYVPMSXGQ-HUUCEWRRSA-N 0 3 380.493 1.155 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000410966922 1192920740 /nfs/dbraw/zinc/92/07/40/1192920740.db2.gz GJAXDJQGVMFODT-KKUMJFAQSA-N 0 3 376.457 0.763 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N2C[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000410966926 1192920830 /nfs/dbraw/zinc/92/08/30/1192920830.db2.gz GJAXDJQGVMFODT-RRFJBIMHSA-N 0 3 376.457 0.763 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000410972645 1192921644 /nfs/dbraw/zinc/92/16/44/1192921644.db2.gz HREYDHPJDGJVIO-IAGOWNOFSA-N 0 3 380.533 0.356 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000274494672 1184076384 /nfs/dbraw/zinc/07/63/84/1184076384.db2.gz TYTKKDFBYLAPLP-UHFFFAOYSA-N 0 3 388.472 0.895 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000274501701 1184078970 /nfs/dbraw/zinc/07/89/70/1184078970.db2.gz VGVVCWWNXBAXJV-UHFFFAOYSA-N 0 3 387.440 0.983 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000274507706 1184080946 /nfs/dbraw/zinc/08/09/46/1184080946.db2.gz WPCCVTZLLXBBSB-HNNXBMFYSA-N 0 3 398.529 0.624 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000274512424 1184082010 /nfs/dbraw/zinc/08/20/10/1184082010.db2.gz WWMRSSOHQRPWMZ-UHFFFAOYSA-N 0 3 395.460 0.798 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCN(C(C)=O)CC3)c2)CC1 ZINC000274512867 1184083314 /nfs/dbraw/zinc/08/33/14/1184083314.db2.gz LVFKUGIQZOUARE-UHFFFAOYSA-N 0 3 387.484 0.458 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)c2)CC1 ZINC000274526831 1184087080 /nfs/dbraw/zinc/08/70/80/1184087080.db2.gz OTCLEFJKDVCEQP-AWEZNQCLSA-N 0 3 388.390 0.806 20 0 GCADHN COC(=O)Cc1cccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000274548857 1184094898 /nfs/dbraw/zinc/09/48/98/1184094898.db2.gz UMQXYMDRAXRLMI-OAHLLOKOSA-N 0 3 390.484 0.483 20 0 GCADHN CCC[C@@H](O)[C@@H](CO)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000413355727 1184095894 /nfs/dbraw/zinc/09/58/94/1184095894.db2.gz SIHOILLAOGQZNL-RTBURBONSA-N 0 3 379.501 0.964 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000274559751 1184098997 /nfs/dbraw/zinc/09/89/97/1184098997.db2.gz ORKHXUDIZZBDGO-QGZVFWFLSA-N 0 3 377.485 0.734 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 ZINC000274570573 1184105661 /nfs/dbraw/zinc/10/56/61/1184105661.db2.gz HFPUCNLVLMLMLP-HNNXBMFYSA-N 0 3 397.545 0.335 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCC(CS(N)(=O)=O)CC1)c1ccccc1 ZINC000274584016 1184110262 /nfs/dbraw/zinc/11/02/62/1184110262.db2.gz IDVGQAUYDPLIJN-QGZVFWFLSA-N 0 3 382.530 0.406 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000274592437 1184112383 /nfs/dbraw/zinc/11/23/83/1184112383.db2.gz PNPCDZXEQUXCJP-HNNXBMFYSA-N 0 3 379.484 0.473 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C ZINC000274594726 1184113577 /nfs/dbraw/zinc/11/35/77/1184113577.db2.gz VRRCRYURWDAJTC-SFHVURJKSA-N 0 3 395.500 0.889 20 0 GCADHN COc1ccc(CNC(=O)CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000274594512 1184113779 /nfs/dbraw/zinc/11/37/79/1184113779.db2.gz PVFHARRRRFMSOS-INIZCTEOSA-N 0 3 391.516 0.637 20 0 GCADHN COc1ccc(CNC(=O)CNC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000274594518 1184113819 /nfs/dbraw/zinc/11/38/19/1184113819.db2.gz PVFHARRRRFMSOS-MRXNPFEDSA-N 0 3 391.516 0.637 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 ZINC000274607082 1184117901 /nfs/dbraw/zinc/11/79/01/1184117901.db2.gz YJHIOKMDQGJYII-CQSZACIVSA-N 0 3 379.457 0.487 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1 ZINC000616366582 1184138096 /nfs/dbraw/zinc/13/80/96/1184138096.db2.gz QFUSXJXAYGGYHI-MRXNPFEDSA-N 0 3 399.499 0.407 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000274644780 1184140935 /nfs/dbraw/zinc/14/09/35/1184140935.db2.gz KKSYBPJFPYSKAP-NVXWUHKLSA-N 0 3 384.427 0.850 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000274644933 1184141850 /nfs/dbraw/zinc/14/18/50/1184141850.db2.gz KLQGBHOLFXCZLN-AWEZNQCLSA-N 0 3 386.518 0.611 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCSC[C@H]3CO)cc2)CC1 ZINC000784912690 1184146018 /nfs/dbraw/zinc/14/60/18/1184146018.db2.gz UULDIAJKSPJEKG-QGZVFWFLSA-N 0 3 392.525 0.703 20 0 GCADHN NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)CNC[C@@H]2CCCO2)CC1 ZINC000430150281 1184150831 /nfs/dbraw/zinc/15/08/31/1184150831.db2.gz YTEHSJPNWYRHBO-HNNXBMFYSA-N 0 3 388.468 0.731 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000274665829 1184172741 /nfs/dbraw/zinc/17/27/41/1184172741.db2.gz QEGIONIFYJVKPQ-HNNXBMFYSA-N 0 3 397.545 0.883 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000274674212 1184176713 /nfs/dbraw/zinc/17/67/13/1184176713.db2.gz RVNJNRACXMHSCM-HNNXBMFYSA-N 0 3 397.545 0.420 20 0 GCADHN COc1ccccc1C(=O)NCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000274684276 1184180936 /nfs/dbraw/zinc/18/09/36/1184180936.db2.gz SHDRKUIWPRYNSM-GOSISDBHSA-N 0 3 397.475 0.960 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000274686092 1184182962 /nfs/dbraw/zinc/18/29/62/1184182962.db2.gz SWLXTIKSHBAZOC-ZDUSSCGKSA-N 0 3 398.485 0.253 20 0 GCADHN CC(C)(C)c1nc(CN[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n[nH]1 ZINC001020422919 1184189988 /nfs/dbraw/zinc/18/99/88/1184189988.db2.gz JTUZAYQVPVZTPD-SMSYFYOWSA-N 0 3 377.489 0.891 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 ZINC000274695458 1184191111 /nfs/dbraw/zinc/19/11/11/1184191111.db2.gz WLALUPUGXPCXHZ-UHFFFAOYSA-N 0 3 398.529 0.951 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000274702663 1184203730 /nfs/dbraw/zinc/20/37/30/1184203730.db2.gz YQAZGZWBIROVRU-OKILXGFUSA-N 0 3 384.502 0.609 20 0 GCADHN Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)CCN2CCN(C)CC2)no1 ZINC000274704738 1184204666 /nfs/dbraw/zinc/20/46/66/1184204666.db2.gz ZMSUEJWUGBNHBT-ZDUSSCGKSA-N 0 3 383.518 0.797 20 0 GCADHN O=C(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001772503778 1184212619 /nfs/dbraw/zinc/21/26/19/1184212619.db2.gz CFQZGCOBNHLRER-FQEVSTJZSA-N 0 3 386.452 0.031 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)NCCCn1nc2n(c1=O)CCCC2 ZINC000118775537 1184214435 /nfs/dbraw/zinc/21/44/35/1184214435.db2.gz PYLLEQYHVQESII-UHFFFAOYSA-N 0 3 391.516 0.923 20 0 GCADHN CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000654947038 1184219135 /nfs/dbraw/zinc/21/91/35/1184219135.db2.gz QMKCQYQHBYURDR-KGLIPLIRSA-N 0 3 380.470 0.557 20 0 GCADHN Cn1c2ccc(NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)cc2n(C)c1=O ZINC000654946313 1184222130 /nfs/dbraw/zinc/22/21/30/1184222130.db2.gz IWIFZWGWKPUJSX-HUUCEWRRSA-N 0 3 385.468 0.949 20 0 GCADHN CCN(C[C@H](C)O)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000510079565 1184246593 /nfs/dbraw/zinc/24/65/93/1184246593.db2.gz RSCYODJWBJBOGS-DLBZAZTESA-N 0 3 397.541 0.919 20 0 GCADHN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnnn1CCN(C)C ZINC000510081665 1184253870 /nfs/dbraw/zinc/25/38/70/1184253870.db2.gz AQSOHLAJJQMVJG-HNNXBMFYSA-N 0 3 376.486 0.643 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](O)C1)N1CCCC1 ZINC000969322519 1184260562 /nfs/dbraw/zinc/26/05/62/1184260562.db2.gz YPQZKCUZBJSVIM-ZOFXXKQRSA-N 0 3 379.501 0.364 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000510082801 1184263001 /nfs/dbraw/zinc/26/30/01/1184263001.db2.gz GIEPTGSFYZESLO-UHFFFAOYSA-N 0 3 377.474 0.667 20 0 GCADHN O=C(CCNS(=O)(=O)c1ccc(F)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363662399 1184266806 /nfs/dbraw/zinc/26/68/06/1184266806.db2.gz NKGPVDUBJBXVEM-GJZGRUSLSA-N 0 3 385.461 0.474 20 0 GCADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000655073522 1184277445 /nfs/dbraw/zinc/27/74/45/1184277445.db2.gz RINOZDAFNDSCDO-FQEVSTJZSA-N 0 3 387.484 0.796 20 0 GCADHN CCOC(=O)[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)Cc1ccccc1 ZINC001625797445 1184277803 /nfs/dbraw/zinc/27/78/03/1184277803.db2.gz HLBXCFOYJBCXAK-ROUUACIJSA-N 0 3 389.496 0.935 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)N(CCC(F)(F)F)C[C@H](O)CO ZINC001687116086 1184277836 /nfs/dbraw/zinc/27/78/36/1184277836.db2.gz WBIBBMDIRBDGJU-KBPBESRZSA-N 0 3 383.411 0.557 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N(CCC(F)(F)F)C[C@H](O)CO ZINC001687116087 1184278088 /nfs/dbraw/zinc/27/80/88/1184278088.db2.gz WBIBBMDIRBDGJU-KGLIPLIRSA-N 0 3 383.411 0.557 20 0 GCADHN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)COC3CNC3)C2)cc1 ZINC000430224339 1184301475 /nfs/dbraw/zinc/30/14/75/1184301475.db2.gz JMACOEKQYAMSSF-OAHLLOKOSA-N 0 3 381.498 0.500 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCN(c3cccc4[nH]ccc43)CC2)n1 ZINC000624636705 1184304615 /nfs/dbraw/zinc/30/46/15/1184304615.db2.gz DAMDTNIPNPOTCQ-UHFFFAOYSA-N 0 3 396.499 0.748 20 0 GCADHN CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000579836598 1184311229 /nfs/dbraw/zinc/31/12/29/1184311229.db2.gz PFKZTHDLVJLQLM-CQSZACIVSA-N 0 3 378.458 0.122 20 0 GCADHN COc1ccc(CNC(=O)CNC(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000109149128 1184324431 /nfs/dbraw/zinc/32/44/31/1184324431.db2.gz FBSYITGZKOOWEP-UHFFFAOYSA-N 0 3 391.516 0.638 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)c2)CC1 ZINC000274803789 1184336800 /nfs/dbraw/zinc/33/68/00/1184336800.db2.gz LAUTXTCRRULZJO-SJORKVTESA-N 0 3 375.473 0.983 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N[C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000547699915 1184344345 /nfs/dbraw/zinc/34/43/45/1184344345.db2.gz WFVVXDRYWRDDPZ-SFHVURJKSA-N 0 3 394.541 0.810 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000655273258 1184345337 /nfs/dbraw/zinc/34/53/37/1184345337.db2.gz LJYZIBBQPMOJQO-CABCVRRESA-N 0 3 385.530 0.355 20 0 GCADHN COC(=O)COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000274807361 1184360197 /nfs/dbraw/zinc/36/01/97/1184360197.db2.gz QBHWLOQUPLYGGX-MRXNPFEDSA-N 0 3 391.468 0.607 20 0 GCADHN CC(=O)N[C@H](CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000579860354 1184379346 /nfs/dbraw/zinc/37/93/46/1184379346.db2.gz DLHCMMOWWUQKNN-OWCLPIDISA-N 0 3 378.860 0.678 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC(C)(C)CO)cc2)CC1 ZINC000137095728 1184394892 /nfs/dbraw/zinc/39/48/92/1184394892.db2.gz FHCBYSBZPVZFBG-UHFFFAOYSA-N 0 3 376.501 0.897 20 0 GCADHN CCOC(=O)Cc1nnc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)s1 ZINC000274835127 1184398193 /nfs/dbraw/zinc/39/81/93/1184398193.db2.gz SEBVDGIFEYIIPM-GFCCVEGCSA-N 0 3 384.506 0.791 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC000073748596 1184411425 /nfs/dbraw/zinc/41/14/25/1184411425.db2.gz OTVQIMVEHQAYNT-QGZVFWFLSA-N 0 3 375.517 0.876 20 0 GCADHN CCNS(=O)(=O)c1cccc(CNC(=O)NC2CCN(CCOC)CC2)c1 ZINC000457992267 1184412440 /nfs/dbraw/zinc/41/24/40/1184412440.db2.gz UPOQOYFXNJFMMB-UHFFFAOYSA-N 0 3 398.529 0.895 20 0 GCADHN Cn1c2ccc(NC(=O)CCC(=O)NCCN3CCCCC3)nc2n(C)c1=O ZINC000154566020 1184415968 /nfs/dbraw/zinc/41/59/68/1184415968.db2.gz FIYZLTUPWGHKTG-UHFFFAOYSA-N 0 3 388.472 0.593 20 0 GCADHN CNC(=O)[C@]1(C)CCN([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430269355 1184420297 /nfs/dbraw/zinc/42/02/97/1184420297.db2.gz NZNSEFFUHBXXOZ-JLTOFOAXSA-N 0 3 375.469 0.963 20 0 GCADHN COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000890662937 1184431786 /nfs/dbraw/zinc/43/17/86/1184431786.db2.gz PGHWGTPXCTZYTJ-DLBZAZTESA-N 0 3 396.532 0.861 20 0 GCADHN COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000890662939 1184431993 /nfs/dbraw/zinc/43/19/93/1184431993.db2.gz PGHWGTPXCTZYTJ-IRXDYDNUSA-N 0 3 396.532 0.861 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)[C@](C)(O)Cn3ccccc3=O)C2)CC1 ZINC000547733609 1184440749 /nfs/dbraw/zinc/44/07/49/1184440749.db2.gz WQGLBLWXMMWLRB-FXAWDEMLSA-N 0 3 376.501 0.226 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)COC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000748091870 1184502173 /nfs/dbraw/zinc/50/21/73/1184502173.db2.gz OKWQQOMIYMJWHV-OAHLLOKOSA-N 0 3 384.521 0.765 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)N(C)C ZINC000275085400 1184502236 /nfs/dbraw/zinc/50/22/36/1184502236.db2.gz AXERLWBIZIDKED-LBPRGKRZSA-N 0 3 380.420 0.303 20 0 GCADHN COCCN1C[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1=O ZINC000535632106 1184504705 /nfs/dbraw/zinc/50/47/05/1184504705.db2.gz OEOFKJVTFSPIQF-QYZOEREBSA-N 0 3 389.496 0.481 20 0 GCADHN O=C(CNC(=O)c1cccc(O)c1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000275100675 1184508102 /nfs/dbraw/zinc/50/81/02/1184508102.db2.gz BOIGEILFDLYNCM-LJQANCHMSA-N 0 3 383.448 0.657 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2CN(CCC3CCOCC3)C[C@@H]21 ZINC001083194441 1184516243 /nfs/dbraw/zinc/51/62/43/1184516243.db2.gz ONHWRSAGSQVFFE-VSZNYVQBSA-N 0 3 379.501 0.439 20 0 GCADHN C[C@H](O)CN1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000275182323 1184542796 /nfs/dbraw/zinc/54/27/96/1184542796.db2.gz BAIBVGGVLPDVGJ-HOTGVXAUSA-N 0 3 385.530 0.703 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000655550472 1184547052 /nfs/dbraw/zinc/54/70/52/1184547052.db2.gz MZZLUPRORIMPJV-QGZVFWFLSA-N 0 3 397.545 0.909 20 0 GCADHN CCOc1cc2c(cc1NC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)OCCO2 ZINC000275233722 1184561757 /nfs/dbraw/zinc/56/17/57/1184561757.db2.gz FQKRJUYDQQUDMU-ZDUSSCGKSA-N 0 3 393.440 0.584 20 0 GCADHN CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000043238480 1184578466 /nfs/dbraw/zinc/57/84/66/1184578466.db2.gz BQNOIWBIEITPIP-QGZVFWFLSA-N 0 3 395.529 0.395 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)C[C@H](C)O1 ZINC000275285889 1184584569 /nfs/dbraw/zinc/58/45/69/1184584569.db2.gz LVBCUTWRPFRVQU-IHETXDGRSA-N 0 3 390.484 0.963 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2c(C)nn(CCOC)c2C)CC1 ZINC000533592472 1184612906 /nfs/dbraw/zinc/61/29/06/1184612906.db2.gz BOJCPDZXDQFDPC-AWEZNQCLSA-N 0 3 394.520 0.227 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000547807568 1184622413 /nfs/dbraw/zinc/62/24/13/1184622413.db2.gz UCORXHRTHCXSTK-UHFFFAOYSA-N 0 3 399.498 0.473 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@@H](OCC2CC2)C1 ZINC000430374470 1184624427 /nfs/dbraw/zinc/62/44/27/1184624427.db2.gz AAYBIRLXFRLTJP-LJQANCHMSA-N 0 3 382.549 0.977 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 ZINC000275388909 1184648674 /nfs/dbraw/zinc/64/86/74/1184648674.db2.gz AJABISJJCFQXJV-UHFFFAOYSA-N 0 3 375.473 0.362 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1(C)C ZINC000275407569 1184656101 /nfs/dbraw/zinc/65/61/01/1184656101.db2.gz CLZXFJKKDLPIJO-OXJNMPFZSA-N 0 3 375.517 0.982 20 0 GCADHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000275425387 1184662330 /nfs/dbraw/zinc/66/23/30/1184662330.db2.gz CIUMPIZFXMZNRP-MPGHIAIKSA-N 0 3 377.489 0.393 20 0 GCADHN CN(CC(=O)Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000683409868 1184664537 /nfs/dbraw/zinc/66/45/37/1184664537.db2.gz AXYVXZIZKLRRAU-QGZVFWFLSA-N 0 3 395.525 0.701 20 0 GCADHN CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N(C)CCN(C)C)c2)CC1 ZINC000275451869 1184674197 /nfs/dbraw/zinc/67/41/97/1184674197.db2.gz SNBMFMKEHOCQAL-UHFFFAOYSA-N 0 3 375.473 0.314 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000275458940 1184676687 /nfs/dbraw/zinc/67/66/87/1184676687.db2.gz UUZHRJNADZJJND-UHFFFAOYSA-N 0 3 386.449 0.225 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000275471448 1184681408 /nfs/dbraw/zinc/68/14/08/1184681408.db2.gz XJJROOOCEVOPOS-UHFFFAOYSA-N 0 3 384.502 0.676 20 0 GCADHN COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000275478742 1184683238 /nfs/dbraw/zinc/68/32/38/1184683238.db2.gz JBNSSPXZVLEJPL-GFCCVEGCSA-N 0 3 385.486 0.402 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)[C@@H](C)C2CC2)CC1 ZINC000121052440 1184719400 /nfs/dbraw/zinc/71/94/00/1184719400.db2.gz VEKHKSJTLPLIGU-ZDUSSCGKSA-N 0 3 384.502 0.855 20 0 GCADHN C[C@@H]1C[C@H](C)CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000579925592 1184736013 /nfs/dbraw/zinc/73/60/13/1184736013.db2.gz KAMUAQLANVSHFX-BRWVUGGUSA-N 0 3 378.517 0.646 20 0 GCADHN O=C(C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N1CC[C@H](N2CCCC2)C1 ZINC000579927984 1184738509 /nfs/dbraw/zinc/73/85/09/1184738509.db2.gz NASOOFNNEJHAQD-BBWFWOEESA-N 0 3 384.480 0.491 20 0 GCADHN Cn1cc(CNCCN2CC[C@H](O)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000623838482 1184772121 /nfs/dbraw/zinc/77/21/21/1184772121.db2.gz YGHUVALXNVKANJ-HNNXBMFYSA-N 0 3 383.452 0.373 20 0 GCADHN Cc1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001707873249 1184775073 /nfs/dbraw/zinc/77/50/73/1184775073.db2.gz SEECYVLNZONPCL-UZLBHIALSA-N 0 3 392.548 0.997 20 0 GCADHN CC(C)OCCCNC(=O)C1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000047770712 1184800370 /nfs/dbraw/zinc/80/03/70/1184800370.db2.gz JQQLRBOZFPEVKY-UHFFFAOYSA-N 0 3 382.505 0.960 20 0 GCADHN O=C(CN(CCO)C1CCOCC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000275610279 1184817558 /nfs/dbraw/zinc/81/75/58/1184817558.db2.gz SJYRUCLJJDMDRO-UHFFFAOYSA-N 0 3 390.484 0.836 20 0 GCADHN O=C(NC1C[C@H]2CC[C@@H](C1)N2CCN1C(=O)CNC1=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001021328068 1184856327 /nfs/dbraw/zinc/85/63/27/1184856327.db2.gz AFTWFLWESSUDGA-JNJUDLCOSA-N 0 3 388.468 0.073 20 0 GCADHN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579972869 1184866373 /nfs/dbraw/zinc/86/63/73/1184866373.db2.gz NKHXMBPASIXCMA-BXUZGUMPSA-N 0 3 375.379 0.843 20 0 GCADHN COCCCN(CCO)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000275656248 1184872899 /nfs/dbraw/zinc/87/28/99/1184872899.db2.gz NKKQHOUAMLGDBH-UHFFFAOYSA-N 0 3 378.517 0.974 20 0 GCADHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@@H]3CCCN3C)CC2)C1 ZINC000139441891 1184879471 /nfs/dbraw/zinc/87/94/71/1184879471.db2.gz TXQJZGPXFVVFRL-KSZLIROESA-N 0 3 379.549 0.912 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000655955611 1184899745 /nfs/dbraw/zinc/89/97/45/1184899745.db2.gz ZPJVKWJQWQBYCW-CQSZACIVSA-N 0 3 387.415 0.543 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000580006675 1184901488 /nfs/dbraw/zinc/90/14/88/1184901488.db2.gz IMNBYIIVDIDJKG-INIZCTEOSA-N 0 3 396.532 0.367 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000556370894 1184906313 /nfs/dbraw/zinc/90/63/13/1184906313.db2.gz OHMRKOPTXQHKAD-PKOBYXMFSA-N 0 3 394.560 0.794 20 0 GCADHN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000275688160 1184929706 /nfs/dbraw/zinc/92/97/06/1184929706.db2.gz XLAFJRHFSQBSOU-PKOBYXMFSA-N 0 3 375.469 0.724 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)CC1 ZINC000891101347 1184943200 /nfs/dbraw/zinc/94/32/00/1184943200.db2.gz DEAXRKBOOPLKEJ-UWVAXJGDSA-N 0 3 396.532 0.909 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CCSC1 ZINC000275707032 1184945023 /nfs/dbraw/zinc/94/50/23/1184945023.db2.gz SBITZTBAAAURMK-SFHVURJKSA-N 0 3 379.482 0.956 20 0 GCADHN C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)O2)[C@H]1C ZINC000891107308 1184953396 /nfs/dbraw/zinc/95/33/96/1184953396.db2.gz LHUKFFWOJANQPQ-IUVQAAGXSA-N 0 3 384.521 0.620 20 0 GCADHN CCN1CCN(CCC(=O)N2CCC(CN=[S@](C)(=O)N(C)C)CC2)CC1 ZINC000891146047 1184987109 /nfs/dbraw/zinc/98/71/09/1184987109.db2.gz VMSPCMBGYWJGGH-SANMLTNESA-N 0 3 387.594 0.827 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000683766827 1184996687 /nfs/dbraw/zinc/99/66/87/1184996687.db2.gz NOVLEAKWRODLIW-OAHLLOKOSA-N 0 3 395.525 0.978 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000656072375 1185009465 /nfs/dbraw/zinc/00/94/65/1185009465.db2.gz MBWHHZIXAWDMFN-UHFFFAOYSA-N 0 3 394.560 0.890 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000683786847 1185037899 /nfs/dbraw/zinc/03/78/99/1185037899.db2.gz NOVLEAKWRODLIW-HNNXBMFYSA-N 0 3 395.525 0.978 20 0 GCADHN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000580066375 1185040801 /nfs/dbraw/zinc/04/08/01/1185040801.db2.gz DMSGXRPVMNAGQB-CHWSQXEVSA-N 0 3 392.485 0.872 20 0 GCADHN CCOc1ccc(-n2ncc(C(=O)NC[C@]3(O)CN4CCC3CC4)c2C)nn1 ZINC000580094454 1185059355 /nfs/dbraw/zinc/05/93/55/1185059355.db2.gz XUPIPPAUHYGPRT-IBGZPJMESA-N 0 3 386.456 0.556 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000548066011 1185074760 /nfs/dbraw/zinc/07/47/60/1185074760.db2.gz WQDNKPFHXIAGMY-AWEZNQCLSA-N 0 3 375.473 0.275 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)[C@@H](O)C1)N1CCCC1 ZINC000970849828 1185098173 /nfs/dbraw/zinc/09/81/73/1185098173.db2.gz KBMOBUSQDZLUAU-MLHJIOFPSA-N 0 3 386.496 0.747 20 0 GCADHN O=C(C(=O)N1CCN(C2CCOCC2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000580165456 1185099368 /nfs/dbraw/zinc/09/93/68/1185099368.db2.gz OMJQJXXRSVVKOM-GOSISDBHSA-N 0 3 378.517 0.396 20 0 GCADHN C[C@@H](N[C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnn2)c1 ZINC000580176995 1185103389 /nfs/dbraw/zinc/10/33/89/1185103389.db2.gz NJLSIZFRGVGLSR-QLFBSQMISA-N 0 3 391.497 0.857 20 0 GCADHN CN[C@@H](C(=O)NCCCCN1CCN(c2ncccn2)CC1)c1cnn(C)c1 ZINC000580190006 1185112975 /nfs/dbraw/zinc/11/29/75/1185112975.db2.gz ARGHUJRYQREIBT-QGZVFWFLSA-N 0 3 386.504 0.189 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC(=O)N(c4ccccc4Cl)C3)CCN2C1=O ZINC000580217778 1185120604 /nfs/dbraw/zinc/12/06/04/1185120604.db2.gz BPYBOHURKZXBHU-SGMGOOAPSA-N 0 3 391.859 0.399 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NCCN1CCOCC1(C)C)Cc1ccccc1 ZINC000580219599 1185121471 /nfs/dbraw/zinc/12/14/71/1185121471.db2.gz SZRWOCAUSUPOAW-GOSISDBHSA-N 0 3 390.528 0.503 20 0 GCADHN C[C@H]([NH2+]C1CC1)C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000580308855 1185148840 /nfs/dbraw/zinc/14/88/40/1185148840.db2.gz ZTVHHGCFNKNAKB-LBPRGKRZSA-N 0 3 377.470 0.536 20 0 GCADHN Cc1cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000548076308 1185158344 /nfs/dbraw/zinc/15/83/44/1185158344.db2.gz ZXXIEVOXPLHPEJ-CQSZACIVSA-N 0 3 387.484 0.791 20 0 GCADHN COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(OC)cc1 ZINC000610420984 1185159122 /nfs/dbraw/zinc/15/91/22/1185159122.db2.gz KYRUVWPCQDVZIX-NVXWUHKLSA-N 0 3 391.468 0.826 20 0 GCADHN COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(OC)cc1 ZINC000610420985 1185159640 /nfs/dbraw/zinc/15/96/40/1185159640.db2.gz KYRUVWPCQDVZIX-RDJZCZTQSA-N 0 3 391.468 0.826 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000683882758 1185177126 /nfs/dbraw/zinc/17/71/26/1185177126.db2.gz CWUXYTLRWKZYSU-AWEZNQCLSA-N 0 3 381.498 0.588 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C(=O)NC)c(C)c2)CC1 ZINC000530971362 1185178981 /nfs/dbraw/zinc/17/89/81/1185178981.db2.gz MTLMPZMCRFIBPM-CQSZACIVSA-N 0 3 375.473 0.326 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1NS(C)(=O)=O ZINC000275848403 1185180734 /nfs/dbraw/zinc/18/07/34/1185180734.db2.gz BCRNUXGTGKBYCA-UHFFFAOYSA-N 0 3 382.486 0.858 20 0 GCADHN CCCn1nccc1NC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001266607970 1185214314 /nfs/dbraw/zinc/21/43/14/1185214314.db2.gz QHZBXJNWKKGZHT-HMDWEJDISA-N 0 3 387.484 0.892 20 0 GCADHN COC(=O)[C@@H](F)CNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000891271509 1185216511 /nfs/dbraw/zinc/21/65/11/1185216511.db2.gz GRWOYEMDCDLKJW-KRWDZBQOSA-N 0 3 380.464 0.957 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)ccc1C ZINC000275880527 1185224744 /nfs/dbraw/zinc/22/47/44/1185224744.db2.gz CNPOUXPEQSGQSU-UHFFFAOYSA-N 0 3 390.484 0.816 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)CC1 ZINC000580422898 1185228002 /nfs/dbraw/zinc/22/80/02/1185228002.db2.gz UHQCRJISAUOGIP-IRXDYDNUSA-N 0 3 380.533 0.594 20 0 GCADHN O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NC[C@]1(O)CN2CCC1CC2 ZINC000580464681 1185238961 /nfs/dbraw/zinc/23/89/61/1185238961.db2.gz USBCZKOVDMZYLF-SFHVURJKSA-N 0 3 399.488 0.457 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000683944239 1185239645 /nfs/dbraw/zinc/23/96/45/1185239645.db2.gz ZBKXRWNNHCHEGR-GOSISDBHSA-N 0 3 394.541 0.851 20 0 GCADHN CCC1CCC(N(C)C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000580467252 1185240322 /nfs/dbraw/zinc/24/03/22/1185240322.db2.gz JRNOLTSEPWXLRK-UHFFFAOYSA-N 0 3 396.576 0.920 20 0 GCADHN CCN1C(=O)[C@H]2CN(S(=O)(=O)c3ccc(CN(C)C)cc3)CCN2C1=O ZINC000683945157 1185240733 /nfs/dbraw/zinc/24/07/33/1185240733.db2.gz GNTPPSZAOQAEKH-OAHLLOKOSA-N 0 3 380.470 0.405 20 0 GCADHN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)C(=O)N1c1cnn(C)c1 ZINC000683944589 1185240777 /nfs/dbraw/zinc/24/07/77/1185240777.db2.gz BJLIJNRCPWIGCW-SUMWQHHRSA-N 0 3 391.497 0.954 20 0 GCADHN CN(CCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)Cc1ccccc1 ZINC000054761970 1185259393 /nfs/dbraw/zinc/25/93/93/1185259393.db2.gz VYFZQYXRLVGZOR-UHFFFAOYSA-N 0 3 387.484 0.251 20 0 GCADHN Cc1nnc([C@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)CCO2)[nH]1 ZINC000580525616 1185261805 /nfs/dbraw/zinc/26/18/05/1185261805.db2.gz LTSUFWKCNIYODK-LSDHHAIUSA-N 0 3 376.461 0.100 20 0 GCADHN Cc1nnc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)CCO2)[nH]1 ZINC000580525614 1185262393 /nfs/dbraw/zinc/26/23/93/1185262393.db2.gz LTSUFWKCNIYODK-GJZGRUSLSA-N 0 3 376.461 0.100 20 0 GCADHN CN(C)CCN(C(=O)c1ccc(-c2nnc[nH]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000548107382 1185263603 /nfs/dbraw/zinc/26/36/03/1185263603.db2.gz FHTXXXDFKMPSLF-HNNXBMFYSA-N 0 3 377.470 0.663 20 0 GCADHN COc1ccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC(F)F ZINC000580571988 1185278756 /nfs/dbraw/zinc/27/87/56/1185278756.db2.gz KKJVTBOFGIJEJC-OLZOCXBDSA-N 0 3 398.410 0.793 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(Cc4ccc(F)cc4)CC3)CCN2C1=O ZINC000580571965 1185278919 /nfs/dbraw/zinc/27/89/19/1185278919.db2.gz JXXSZIGKURKJQF-HZPDHXFCSA-N 0 3 388.443 0.035 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(NC(=O)OC)c2)CC1 ZINC000047962120 1185282804 /nfs/dbraw/zinc/28/28/04/1185282804.db2.gz AGXLEFCSUNRFFJ-UHFFFAOYSA-N 0 3 391.472 0.947 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000047962181 1185282836 /nfs/dbraw/zinc/28/28/36/1185282836.db2.gz NPJGLKFIDPJCTL-UHFFFAOYSA-N 0 3 385.472 0.350 20 0 GCADHN C[C@@H](NC(=O)CN1CCC(N2CCOC[C@H]2C)CC1)C(=O)N1CCCCC1 ZINC000580656707 1185299490 /nfs/dbraw/zinc/29/94/90/1185299490.db2.gz DQRYYKATARHZNP-IAGOWNOFSA-N 0 3 380.533 0.689 20 0 GCADHN CN(CCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1)C1CC1 ZINC000580705179 1185309098 /nfs/dbraw/zinc/30/90/98/1185309098.db2.gz MXKCIKFLUCGGBB-INIZCTEOSA-N 0 3 393.557 0.363 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C(F)F)c3Cl)CCN2C1=O ZINC000580725999 1185315430 /nfs/dbraw/zinc/31/54/30/1185315430.db2.gz HAKCIVQGWWBCJB-SCZZXKLOSA-N 0 3 386.786 0.987 20 0 GCADHN Cc1ccc(-n2nccc2NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)nn1 ZINC000548130693 1185316098 /nfs/dbraw/zinc/31/60/98/1185316098.db2.gz XSYBBXOGKHFJMN-OAHLLOKOSA-N 0 3 383.456 0.996 20 0 GCADHN Cc1ccc(-n2nccc2NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)nn1 ZINC000548130692 1185316362 /nfs/dbraw/zinc/31/63/62/1185316362.db2.gz XSYBBXOGKHFJMN-HNNXBMFYSA-N 0 3 383.456 0.996 20 0 GCADHN COCCN(C)C[C@@H](O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000580725407 1185316544 /nfs/dbraw/zinc/31/65/44/1185316544.db2.gz RAUNFUKPOHFCOP-OAHLLOKOSA-N 0 3 375.404 0.660 20 0 GCADHN Cn1cnn(CCC(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c1=O ZINC000580727980 1185318563 /nfs/dbraw/zinc/31/85/63/1185318563.db2.gz ZTJGBGSZSYGWDS-UHFFFAOYSA-N 0 3 386.456 0.308 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000058019186 1185322982 /nfs/dbraw/zinc/32/29/82/1185322982.db2.gz BWIGUGUMXIGCEB-UHFFFAOYSA-N 0 3 397.526 0.866 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000275951579 1185331560 /nfs/dbraw/zinc/33/15/60/1185331560.db2.gz RBGZFHOUMYPADJ-UHFFFAOYSA-N 0 3 394.497 0.718 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cnnn2-c2cccc(F)c2)CC1 ZINC000684046957 1185336751 /nfs/dbraw/zinc/33/67/51/1185336751.db2.gz BRPCBAGACZBELE-MRXNPFEDSA-N 0 3 386.431 0.961 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C1=CCN(C)CC1 ZINC000275955596 1185339114 /nfs/dbraw/zinc/33/91/14/1185339114.db2.gz BXBOGVAOOWTDFY-CYBMUJFWSA-N 0 3 384.440 0.276 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000656289904 1185340530 /nfs/dbraw/zinc/34/05/30/1185340530.db2.gz UYFUUUBJKULLKR-IRXDYDNUSA-N 0 3 393.509 0.839 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000580776758 1185352538 /nfs/dbraw/zinc/35/25/38/1185352538.db2.gz XIGVHWHZUQUZAH-INIZCTEOSA-N 0 3 382.530 0.416 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000580780217 1185356660 /nfs/dbraw/zinc/35/66/60/1185356660.db2.gz PTQHGAKBVXQHSD-UHFFFAOYSA-N 0 3 376.501 0.118 20 0 GCADHN COCCOc1ncccc1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656297065 1185357760 /nfs/dbraw/zinc/35/77/60/1185357760.db2.gz RYQNDNBXBZNJIB-IAGOWNOFSA-N 0 3 390.484 0.856 20 0 GCADHN COc1cc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(OC)c1OC ZINC000580785708 1185360966 /nfs/dbraw/zinc/36/09/66/1185360966.db2.gz LIGKSZPOYSRYDI-YUTCNCBUSA-N 0 3 392.456 0.727 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000580804316 1185368305 /nfs/dbraw/zinc/36/83/05/1185368305.db2.gz SBARFDMKSDYVCM-WBVHZDCISA-N 0 3 378.521 0.235 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000580804316 1185368312 /nfs/dbraw/zinc/36/83/12/1185368312.db2.gz SBARFDMKSDYVCM-WBVHZDCISA-N 0 3 378.521 0.235 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656304993 1185377310 /nfs/dbraw/zinc/37/73/10/1185377310.db2.gz MPIAWLZELQFNNU-MGPQQGTHSA-N 0 3 376.423 0.872 20 0 GCADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000580819744 1185377794 /nfs/dbraw/zinc/37/77/94/1185377794.db2.gz NAVXZWKREUMLFX-CALCHBBNSA-N 0 3 382.549 0.887 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000668437406 1185378283 /nfs/dbraw/zinc/37/82/83/1185378283.db2.gz HQUNWMSEBHBBGS-HNNXBMFYSA-N 0 3 378.517 0.740 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656304991 1185378347 /nfs/dbraw/zinc/37/83/47/1185378347.db2.gz MPIAWLZELQFNNU-HZSPNIEDSA-N 0 3 376.423 0.872 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC000275996027 1185394410 /nfs/dbraw/zinc/39/44/10/1185394410.db2.gz YGGZWDKHNWVZGZ-UHFFFAOYSA-N 0 3 382.486 0.394 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656314637 1185396867 /nfs/dbraw/zinc/39/68/67/1185396867.db2.gz ADDRAEUOHGRXHH-BDXSIMOUSA-N 0 3 382.549 0.981 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656314638 1185397132 /nfs/dbraw/zinc/39/71/32/1185397132.db2.gz ADDRAEUOHGRXHH-FJIDUMEYSA-N 0 3 382.549 0.981 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000580858614 1185398455 /nfs/dbraw/zinc/39/84/55/1185398455.db2.gz VXVXDIGYKHUKJF-UHFFFAOYSA-N 0 3 396.532 0.463 20 0 GCADHN CN(C)C(=O)C1(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000656315923 1185399900 /nfs/dbraw/zinc/39/99/00/1185399900.db2.gz NJQAGAQCKAVGGP-CVEARBPZSA-N 0 3 378.517 0.884 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000656318532 1185407956 /nfs/dbraw/zinc/40/79/56/1185407956.db2.gz PTDLOXCEJNIUTN-UHFFFAOYSA-N 0 3 375.517 0.499 20 0 GCADHN CN(C)[C@@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)Cc1ccccc1 ZINC000471628646 1185414794 /nfs/dbraw/zinc/41/47/94/1185414794.db2.gz NDZPQUTUFUNLDJ-YZGWKJHDSA-N 0 3 399.495 0.608 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656325091 1185415006 /nfs/dbraw/zinc/41/50/06/1185415006.db2.gz IJUCCRTWRCJASP-LTIDMASMSA-N 0 3 383.489 0.056 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)CC1 ZINC000933013234 1185424736 /nfs/dbraw/zinc/42/47/36/1185424736.db2.gz LDLQFXZGOBSUEX-MGPQQGTHSA-N 0 3 392.422 0.902 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656332498 1185429424 /nfs/dbraw/zinc/42/94/24/1185429424.db2.gz XNUIANBQYQQYNJ-IRXDYDNUSA-N 0 3 394.516 0.263 20 0 GCADHN Cn1ccnc1[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000656338791 1185434923 /nfs/dbraw/zinc/43/49/23/1185434923.db2.gz XSBMTYAHGUUDTA-TWMKSMIVSA-N 0 3 389.500 0.890 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)NC[C@@H]3CNCCO3)CC2=O)cc1 ZINC000580942124 1185435461 /nfs/dbraw/zinc/43/54/61/1185435461.db2.gz KUSWDZUBYPIRIJ-KRWDZBQOSA-N 0 3 376.457 0.428 20 0 GCADHN O=C1NCC2(CCOCC2)[C@H]1NCCOCCN1C(=O)c2ccccc2C1=O ZINC000933035437 1185446204 /nfs/dbraw/zinc/44/62/04/1185446204.db2.gz LAVPXAKTOJULGF-INIZCTEOSA-N 0 3 387.436 0.184 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000580963307 1185446762 /nfs/dbraw/zinc/44/67/62/1185446762.db2.gz YCISODOYUXBPGG-HKUYNNGSSA-N 0 3 393.509 0.413 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000656354267 1185447209 /nfs/dbraw/zinc/44/72/09/1185447209.db2.gz BKLRHCGPJQVWDM-IRXDYDNUSA-N 0 3 376.501 0.733 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(OCCN[C@@H]2C(=O)NCC23CCOCC3)cc1 ZINC000933042928 1185450323 /nfs/dbraw/zinc/45/03/23/1185450323.db2.gz PNVBRXNDRDWKMS-MRXNPFEDSA-N 0 3 397.497 0.201 20 0 GCADHN COCCc1noc(CN(C)C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000656355071 1185450608 /nfs/dbraw/zinc/45/06/08/1185450608.db2.gz IWIPXLAWDNSWKI-KGLIPLIRSA-N 0 3 379.461 0.350 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000580966303 1185451965 /nfs/dbraw/zinc/45/19/65/1185451965.db2.gz QDTTZNOQQZBCJT-MRXNPFEDSA-N 0 3 378.517 0.740 20 0 GCADHN Cc1nccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)n1 ZINC000656357015 1185455531 /nfs/dbraw/zinc/45/55/31/1185455531.db2.gz XYRMZECZUYXHOK-DLBZAZTESA-N 0 3 386.500 0.567 20 0 GCADHN O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656355640 1185456045 /nfs/dbraw/zinc/45/60/45/1185456045.db2.gz MKXMJXIVQCABOI-OAGGEKHMSA-N 0 3 377.489 0.182 20 0 GCADHN CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356506 1185457032 /nfs/dbraw/zinc/45/70/32/1185457032.db2.gz FDOLOTPJNYJNLY-SJORKVTESA-N 0 3 380.533 0.689 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000656356371 1185458275 /nfs/dbraw/zinc/45/82/75/1185458275.db2.gz STBLKTYLCXFQPO-MSOLQXFVSA-N 0 3 384.480 0.995 20 0 GCADHN Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656359249 1185461259 /nfs/dbraw/zinc/46/12/59/1185461259.db2.gz XGUBRDLHXCMGEL-IAGOWNOFSA-N 0 3 386.500 0.567 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000656358992 1185461276 /nfs/dbraw/zinc/46/12/76/1185461276.db2.gz NWOPFNKCDHIAKG-ZACQAIPSSA-N 0 3 376.501 0.733 20 0 GCADHN C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2nnc(COc3ccccc3)[n-]2)C[C@@H](C)O1 ZINC000581067652 1185482498 /nfs/dbraw/zinc/48/24/98/1185482498.db2.gz MJFGXKJVWWIGPH-BZUAXINKSA-N 0 3 375.473 0.943 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1=CCN(C)CC1 ZINC000276027908 1185499695 /nfs/dbraw/zinc/49/96/95/1185499695.db2.gz IHWHJZDGKJHWOE-ZDUSSCGKSA-N 0 3 394.497 0.642 20 0 GCADHN CN(CCN1CCN(C(=O)NC[C@@H]2CCCNC2=O)CC1)Cc1ccccc1 ZINC000656387240 1185501277 /nfs/dbraw/zinc/50/12/77/1185501277.db2.gz BBVSJBHGHVORFP-IBGZPJMESA-N 0 3 387.528 0.972 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2)nn1 ZINC000581120581 1185503855 /nfs/dbraw/zinc/50/38/55/1185503855.db2.gz FVCNGEBLNZNITM-IAGOWNOFSA-N 0 3 383.456 0.889 20 0 GCADHN O=C(CN[C@@H](C1CC1)[C@]1(CO)CCCO1)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000581120205 1185505191 /nfs/dbraw/zinc/50/51/91/1185505191.db2.gz NXKFQEYKOVUBNH-RBUKOAKNSA-N 0 3 397.422 0.929 20 0 GCADHN O=C(NCCn1cccn1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000581122034 1185506231 /nfs/dbraw/zinc/50/62/31/1185506231.db2.gz IBEDBDIWWAEMSU-GOSISDBHSA-N 0 3 385.468 0.407 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000276040708 1185513932 /nfs/dbraw/zinc/51/39/32/1185513932.db2.gz SCUWIQJTFOYIID-UHFFFAOYSA-N 0 3 376.457 0.492 20 0 GCADHN COc1ccc(Cn2cc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cn2)cc1 ZINC000581201178 1185527731 /nfs/dbraw/zinc/52/77/31/1185527731.db2.gz ADWYQABMEDAFTF-WBVHZDCISA-N 0 3 384.440 0.716 20 0 GCADHN CS(=O)(=O)N1CC[C@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000581195139 1185528172 /nfs/dbraw/zinc/52/81/72/1185528172.db2.gz LUJDQRZUQCTQLV-KRWDZBQOSA-N 0 3 380.514 0.768 20 0 GCADHN COC(=O)c1cc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)ccc1OC ZINC000510383539 1185588237 /nfs/dbraw/zinc/58/82/37/1185588237.db2.gz DMTVGCHVQORGEL-AWEZNQCLSA-N 0 3 377.441 0.508 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCCc2cc(F)cc3c2OCOC3)CC1=O ZINC000510385395 1185592034 /nfs/dbraw/zinc/59/20/34/1185592034.db2.gz XOMFVWBWABEZIG-CQSZACIVSA-N 0 3 379.432 0.761 20 0 GCADHN CN(C(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)c1nccs1 ZINC001266701544 1185592804 /nfs/dbraw/zinc/59/28/04/1185592804.db2.gz WVCDBBKBEANHHG-YECZKKJWSA-N 0 3 376.482 0.766 20 0 GCADHN COc1ccc(S(=O)(=O)N2CC(NC[C@H]3CNc4ccnn4C3)C2)cc1 ZINC000684202358 1185605982 /nfs/dbraw/zinc/60/59/82/1185605982.db2.gz VFQJIDBNJXYEBZ-ZDUSSCGKSA-N 0 3 377.470 0.596 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[C@H]1CO ZINC000276144950 1185607694 /nfs/dbraw/zinc/60/76/94/1185607694.db2.gz CVUFQQURMBDCLE-PBHICJAKSA-N 0 3 399.488 0.361 20 0 GCADHN CCCn1ncnc1CNCC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104346516 1185619127 /nfs/dbraw/zinc/61/91/27/1185619127.db2.gz FHOMALXGAZJKHT-BRSBDYLESA-N 0 3 392.548 0.981 20 0 GCADHN CCn1ncnc1CNCC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104346459 1185619982 /nfs/dbraw/zinc/61/99/82/1185619982.db2.gz BXTCUHQDWLTHIX-QBPKDAKJSA-N 0 3 378.521 0.591 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)N1CCOCC1 ZINC000581383652 1185629292 /nfs/dbraw/zinc/62/92/92/1185629292.db2.gz QCEPEWLVHLFRCX-ZWKOTPCHSA-N 0 3 380.533 0.546 20 0 GCADHN CN(C)[C@H]1CN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C[C@@H]1O ZINC000581397155 1185637825 /nfs/dbraw/zinc/63/78/25/1185637825.db2.gz JMQAGZJBSHJLGQ-FEDUSRTKSA-N 0 3 394.516 0.647 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000668464792 1185645506 /nfs/dbraw/zinc/64/55/06/1185645506.db2.gz MBYVRTYZXYUKRU-INIZCTEOSA-N 0 3 390.484 0.877 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000276171901 1185650143 /nfs/dbraw/zinc/65/01/43/1185650143.db2.gz SLDWQXOJMGSXCG-ZDUSSCGKSA-N 0 3 375.425 0.944 20 0 GCADHN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000510418952 1185658784 /nfs/dbraw/zinc/65/87/84/1185658784.db2.gz BFDSCGRHNRMWGW-SJORKVTESA-N 0 3 375.469 0.687 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)C2)CC1 ZINC000581415468 1185664960 /nfs/dbraw/zinc/66/49/60/1185664960.db2.gz WCAYUBNXENVFMN-KSZLIROESA-N 0 3 379.549 0.164 20 0 GCADHN CC[C@H](C(=O)NCC1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)N(C)C ZINC001687322991 1185673554 /nfs/dbraw/zinc/67/35/54/1185673554.db2.gz FOVPOOGTAARZFA-WNRNVDISSA-N 0 3 381.517 0.733 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1 ZINC001021941082 1185681411 /nfs/dbraw/zinc/68/14/11/1185681411.db2.gz FJQJUBYVVVGFIL-YALNPMBYSA-N 0 3 376.501 0.445 20 0 GCADHN Cc1cccc(CN2CCN(C(=O)CN(C)CC(=O)N3CCNCC3)CC2)c1 ZINC000430603411 1185695522 /nfs/dbraw/zinc/69/55/22/1185695522.db2.gz NIRJNQFEBLUKNY-UHFFFAOYSA-N 0 3 387.528 0.003 20 0 GCADHN COCCOCCOCCN(C)C[C@@H](O)COc1ccc(C(=O)OC)cc1 ZINC000276236129 1185705011 /nfs/dbraw/zinc/70/50/11/1185705011.db2.gz LKGNKJOMYAHETP-QGZVFWFLSA-N 0 3 385.457 0.824 20 0 GCADHN N[C@@H](C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)C1CCC1 ZINC000581485309 1185724524 /nfs/dbraw/zinc/72/45/24/1185724524.db2.gz JPRXCQBADRZUGB-MRXNPFEDSA-N 0 3 394.497 0.639 20 0 GCADHN C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581499326 1185729827 /nfs/dbraw/zinc/72/98/27/1185729827.db2.gz ASPOUYXTDVMRJL-UKPHBRMFSA-N 0 3 394.903 0.810 20 0 GCADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000581548535 1185755120 /nfs/dbraw/zinc/75/51/20/1185755120.db2.gz LWMDJKKIWVGOAM-JXFKEZNVSA-N 0 3 389.452 0.109 20 0 GCADHN CC(C)n1nccc1NC(=O)[C@H](C)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430611930 1185758105 /nfs/dbraw/zinc/75/81/05/1185758105.db2.gz QDFVJIOMOQEZON-HOTGVXAUSA-N 0 3 376.505 0.935 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4cc(C5CC5)[nH]n4)C[C@H]32)O1 ZINC001022017915 1185772488 /nfs/dbraw/zinc/77/24/88/1185772488.db2.gz SPACGFCNQJOAGR-KBEZCGTCSA-N 0 3 387.484 0.679 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000891432583 1185778114 /nfs/dbraw/zinc/77/81/14/1185778114.db2.gz CYVPZYZWFKPOMK-OAHLLOKOSA-N 0 3 388.468 0.822 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(CN2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000430615592 1185778684 /nfs/dbraw/zinc/77/86/84/1185778684.db2.gz CJFBUDBVODXETK-QGZVFWFLSA-N 0 3 394.541 0.581 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCNC(=O)c2cccs2)CC1 ZINC000152385001 1185784055 /nfs/dbraw/zinc/78/40/55/1185784055.db2.gz IEPJTMOLIUFYTI-AWEZNQCLSA-N 0 3 378.498 0.633 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000430616602 1185785002 /nfs/dbraw/zinc/78/50/02/1185785002.db2.gz GIEHLPTUERZSGH-INIZCTEOSA-N 0 3 387.484 0.727 20 0 GCADHN COCc1cccc(CNC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000430617972 1185785628 /nfs/dbraw/zinc/78/56/28/1185785628.db2.gz QIGSOVPGYKBCHY-LJQANCHMSA-N 0 3 388.512 0.593 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(CNC(=O)c2ccccn2)CC1 ZINC000581608453 1185785675 /nfs/dbraw/zinc/78/56/75/1185785675.db2.gz HJUXNRFZALCKOB-KRWDZBQOSA-N 0 3 375.473 0.150 20 0 GCADHN CSc1cc2c(cc1NC(=O)N1CCN3C(=O)[C@@H](N)C[C@@H]3C1)OCCO2 ZINC000581618861 1185789191 /nfs/dbraw/zinc/78/91/91/1185789191.db2.gz REUMAOYCEHOMGN-MNOVXSKESA-N 0 3 378.454 0.955 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)cc3F)CCN2C1=O ZINC000581618411 1185790019 /nfs/dbraw/zinc/79/00/19/1185790019.db2.gz BCAUPGJOZMZBBH-KCJUWKMLSA-N 0 3 386.330 0.136 20 0 GCADHN C/C=C/C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000625571088 1185791362 /nfs/dbraw/zinc/79/13/62/1185791362.db2.gz PANNYRIFCVVPIO-GVKUHWBJSA-N 0 3 390.528 0.956 20 0 GCADHN CCC[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OCC ZINC000625569359 1185791500 /nfs/dbraw/zinc/79/15/00/1185791500.db2.gz BKALEOAXMYCWCK-HOTGVXAUSA-N 0 3 382.505 0.073 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccn4ccnc4c3)C2)CC1 ZINC000581626129 1185792306 /nfs/dbraw/zinc/79/23/06/1185792306.db2.gz WKAIJVBVEKYZHJ-SFHVURJKSA-N 0 3 398.511 0.577 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NCCc1c(F)cccc1F ZINC000430620519 1185796587 /nfs/dbraw/zinc/79/65/87/1185796587.db2.gz IEDUGJUKOSEZSI-HNNXBMFYSA-N 0 3 394.466 0.767 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000430620685 1185796909 /nfs/dbraw/zinc/79/69/09/1185796909.db2.gz COLSEDINKHJCEU-MSOLQXFVSA-N 0 3 386.496 0.250 20 0 GCADHN O=C([C@@H]1CCCN(CCNS(=O)(=O)c2ccccc2)C1)N1CCNCC1 ZINC000430621735 1185797574 /nfs/dbraw/zinc/79/75/74/1185797574.db2.gz DCWKYAUARBKTMO-MRXNPFEDSA-N 0 3 380.514 0.109 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)Nc1cccc2nsnc21 ZINC000430621361 1185799327 /nfs/dbraw/zinc/79/93/27/1185799327.db2.gz JCTOGYMNHCAARS-CYBMUJFWSA-N 0 3 388.497 0.774 20 0 GCADHN CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000276406559 1185799862 /nfs/dbraw/zinc/79/98/62/1185799862.db2.gz DSLZSJXVMXHGAA-OAHLLOKOSA-N 0 3 389.500 0.750 20 0 GCADHN O=C(C(=O)N1CCN(c2ccc(F)cn2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000581653031 1185812386 /nfs/dbraw/zinc/81/23/86/1185812386.db2.gz AZNRTFCWTPUVSV-KRWDZBQOSA-N 0 3 389.475 0.956 20 0 GCADHN CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(=O)N1CCNCC1 ZINC000430641756 1185847384 /nfs/dbraw/zinc/84/73/84/1185847384.db2.gz UCVYFGVIQDFTJK-UHFFFAOYSA-N 0 3 381.864 0.131 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)NCCCCN2CCN(C)CC2)cc1C ZINC000581695844 1185852010 /nfs/dbraw/zinc/85/20/10/1185852010.db2.gz GTOFUGFBBUNWKX-UHFFFAOYSA-N 0 3 396.557 0.726 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000610530510 1185853980 /nfs/dbraw/zinc/85/39/80/1185853980.db2.gz OQURJZNOMJNVSR-GOSISDBHSA-N 0 3 391.468 0.727 20 0 GCADHN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)CNC[C@H]3CCCO3)no2)cn1 ZINC000581721398 1185864368 /nfs/dbraw/zinc/86/43/68/1185864368.db2.gz UCZSKXWFROBBGO-KGLIPLIRSA-N 0 3 376.417 0.139 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(-c4ccncc4)cc3)CCN2C1=O ZINC000581737547 1185873678 /nfs/dbraw/zinc/87/36/78/1185873678.db2.gz KLZVATDQLUBCTC-QZTJIDSGSA-N 0 3 393.447 0.135 20 0 GCADHN CS(=O)(=O)N1CCC(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000891464465 1185882743 /nfs/dbraw/zinc/88/27/43/1185882743.db2.gz METXMDGLHRJUMN-KRWDZBQOSA-N 0 3 380.514 0.672 20 0 GCADHN COc1ccc(C[C@@](C)(CO)NCC(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000933425010 1185886016 /nfs/dbraw/zinc/88/60/16/1185886016.db2.gz WYTZCPQMZYLGNK-NRFANRHFSA-N 0 3 393.528 0.805 20 0 GCADHN C[C@@](CO)(Cc1ccccc1F)NCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000933436419 1185890416 /nfs/dbraw/zinc/89/04/16/1185890416.db2.gz YFKVNJASTYMBED-FQEVSTJZSA-N 0 3 377.460 0.790 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](CO)CC1 ZINC000293006400 1185905080 /nfs/dbraw/zinc/90/50/80/1185905080.db2.gz DEUSKRKTFCNYBC-ZNMIVQPWSA-N 0 3 383.514 0.994 20 0 GCADHN CCOC(=O)N1C[C@H](NC(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@@H](CO)C1 ZINC000891538016 1185909322 /nfs/dbraw/zinc/90/93/22/1185909322.db2.gz ZZFFPWJXUXDLHT-SQNIBIBYSA-N 0 3 392.500 0.908 20 0 GCADHN Cc1cccc(OCCNC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000430664906 1185918380 /nfs/dbraw/zinc/91/83/80/1185918380.db2.gz LYTCNRQUVWCDTB-SFHVURJKSA-N 0 3 388.512 0.634 20 0 GCADHN O=C(CN1CCC[C@H](CO)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000293095000 1185921770 /nfs/dbraw/zinc/92/17/70/1185921770.db2.gz KRNLUHVUGZLTDI-KRWDZBQOSA-N 0 3 395.525 0.614 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)NC2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000933531156 1185923366 /nfs/dbraw/zinc/92/33/66/1185923366.db2.gz MFVYTPMJGXYZPM-BQTBQCLESA-N 0 3 388.468 0.813 20 0 GCADHN C[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@@]2(CCCOC2)O1 ZINC000430676637 1185945056 /nfs/dbraw/zinc/94/50/56/1185945056.db2.gz OXPPSUHGCYIHAB-AZUAARDMSA-N 0 3 398.548 0.356 20 0 GCADHN C[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@]2(CCCOC2)O1 ZINC000430676638 1185945163 /nfs/dbraw/zinc/94/51/63/1185945163.db2.gz OXPPSUHGCYIHAB-ICSRJNTNSA-N 0 3 398.548 0.356 20 0 GCADHN COC1CCN(S(=O)(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000656955708 1185951966 /nfs/dbraw/zinc/95/19/66/1185951966.db2.gz FEPWXIYKSJXBLA-QGZVFWFLSA-N 0 3 383.514 0.698 20 0 GCADHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCN1C(=O)CNC1=O ZINC000548306564 1185956445 /nfs/dbraw/zinc/95/64/45/1185956445.db2.gz HMDWAKNKKUDQOM-ZDUSSCGKSA-N 0 3 380.470 0.771 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000581910227 1185971829 /nfs/dbraw/zinc/97/18/29/1185971829.db2.gz PCIIJXJWKBRHPZ-ROUUACIJSA-N 0 3 392.544 0.831 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000581910228 1185971942 /nfs/dbraw/zinc/97/19/42/1185971942.db2.gz PCIIJXJWKBRHPZ-ZWKOTPCHSA-N 0 3 392.544 0.831 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000785081488 1185983900 /nfs/dbraw/zinc/98/39/00/1185983900.db2.gz HXPHLXDTBKRIEP-UHFFFAOYSA-N 0 3 390.440 0.796 20 0 GCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000548362567 1186003268 /nfs/dbraw/zinc/00/32/68/1186003268.db2.gz RRZYEXZENXVFAR-LXZKKBNFSA-N 0 3 397.472 0.303 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1noc(Cc2ccccc2)n1 ZINC000581955405 1186005931 /nfs/dbraw/zinc/00/59/31/1186005931.db2.gz HJDMXOZVCIRLIS-AEGPPILISA-N 0 3 384.440 0.675 20 0 GCADHN COc1ccc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)cc1C(N)=O ZINC000548371013 1186013188 /nfs/dbraw/zinc/01/31/88/1186013188.db2.gz CVYGVRCTJTWZQG-UHFFFAOYSA-N 0 3 398.529 0.441 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)CCN2CCN(CC)CC2)C1=O ZINC000276748908 1186015739 /nfs/dbraw/zinc/01/57/39/1186015739.db2.gz ZRZZMGCJMQFRBP-INIZCTEOSA-N 0 3 376.505 0.542 20 0 GCADHN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000581971192 1186016740 /nfs/dbraw/zinc/01/67/40/1186016740.db2.gz LYRYUIXQZGHKIR-HKUYNNGSSA-N 0 3 392.544 0.690 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000430775284 1186028602 /nfs/dbraw/zinc/02/86/02/1186028602.db2.gz JLSNBTMIAOPEQZ-BFHYXJOUSA-N 0 3 377.432 0.832 20 0 GCADHN CN(CCNC(=O)C1CCN(C(=O)[C@H]2COCCN2)CC1)Cc1ccccc1 ZINC000430791872 1186031325 /nfs/dbraw/zinc/03/13/25/1186031325.db2.gz FXQNAQUHJCYPDS-LJQANCHMSA-N 0 3 388.512 0.462 20 0 GCADHN COc1cc(CN2CCN(C(=O)COC3CNC3)CC2)cc(OC)c1OC ZINC000430809298 1186033492 /nfs/dbraw/zinc/03/34/92/1186033492.db2.gz GQNNEHJHYAJZAO-UHFFFAOYSA-N 0 3 379.457 0.345 20 0 GCADHN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000510690490 1186054746 /nfs/dbraw/zinc/05/47/46/1186054746.db2.gz IUHGUDZKLHOWTN-LSDHHAIUSA-N 0 3 384.546 0.460 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C[C@H]1C ZINC000287340351 1186075754 /nfs/dbraw/zinc/07/57/54/1186075754.db2.gz MLXDHDNXRCMPON-HLLBOEOZSA-N 0 3 375.469 0.891 20 0 GCADHN CN(C)C1(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)CCC1 ZINC001022376099 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C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000181055927 1186245661 /nfs/dbraw/zinc/24/56/61/1186245661.db2.gz YADFRKSLRBBNRS-XLIONFOSSA-N 0 3 378.517 0.889 20 0 GCADHN CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000535824072 1186245935 /nfs/dbraw/zinc/24/59/35/1186245935.db2.gz HPPJCRPRIWQRAK-SFHVURJKSA-N 0 3 395.525 0.760 20 0 GCADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@H](C)N1CCOCC1 ZINC001707912773 1186268801 /nfs/dbraw/zinc/26/88/01/1186268801.db2.gz FYFGMDNHWBESGM-SJORKVTESA-N 0 3 392.548 0.997 20 0 GCADHN Cc1nnc(N2CCN(C3CCCC3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001707912883 1186269688 /nfs/dbraw/zinc/26/96/88/1186269688.db2.gz JPJPPNOGVIEWDL-UHFFFAOYSA-N 0 3 376.505 0.933 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471990177 1186271117 /nfs/dbraw/zinc/27/11/17/1186271117.db2.gz DEROCCHZOUASEM-ZIAGYGMSSA-N 0 3 378.439 0.930 20 0 GCADHN CC[C@@H]1CN(Cc2nnc3n2c2ccccc2c(=O)n3C)CCN1C[C@H](C)O ZINC000247769409 1186271343 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GCADHN COC1(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CCCCCC1 ZINC000934155554 1186316673 /nfs/dbraw/zinc/31/66/73/1186316673.db2.gz NCHKXKSKJBHBIH-UHFFFAOYSA-N 0 3 382.549 0.938 20 0 GCADHN CN(C)S(=O)(=O)CCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277307288 1186326729 /nfs/dbraw/zinc/32/67/29/1186326729.db2.gz KHSIMPVBCGMQMF-KRWDZBQOSA-N 0 3 383.514 0.675 20 0 GCADHN CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277307294 1186327006 /nfs/dbraw/zinc/32/70/06/1186327006.db2.gz KHSIMPVBCGMQMF-QGZVFWFLSA-N 0 3 383.514 0.675 20 0 GCADHN COc1ccc(CC[C@H](C)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1O ZINC000277317475 1186329487 /nfs/dbraw/zinc/32/94/87/1186329487.db2.gz WHWTVMLSLUWTIA-UAGQMJEPSA-N 0 3 398.525 0.809 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)C[C@@H]1N(C)C ZINC000277332090 1186335686 /nfs/dbraw/zinc/33/56/86/1186335686.db2.gz WOSHLBNRSNFQLK-XOKHGSTOSA-N 0 3 379.530 0.699 20 0 GCADHN COCCOC1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000375652800 1186339887 /nfs/dbraw/zinc/33/98/87/1186339887.db2.gz CRDBVDLBXIVWID-ABHNRTSZSA-N 0 3 381.517 0.973 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000548609126 1186339906 /nfs/dbraw/zinc/33/99/06/1186339906.db2.gz LBKKEQSGQLMMJA-CQSZACIVSA-N 0 3 393.454 0.724 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000892102838 1186341262 /nfs/dbraw/zinc/34/12/62/1186341262.db2.gz UISJLTSVRZYQIV-MRXNPFEDSA-N 0 3 398.529 0.847 20 0 GCADHN Cn1nnnc1SCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000536431797 1186342406 /nfs/dbraw/zinc/34/24/06/1186342406.db2.gz DWQDQMOXTPZKNK-HOTGVXAUSA-N 0 3 390.513 0.692 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccccc1OCC(=O)N(C)C ZINC000472097274 1186346077 /nfs/dbraw/zinc/34/60/77/1186346077.db2.gz WKRZVUAXMGNAJT-MRXNPFEDSA-N 0 3 376.501 0.909 20 0 GCADHN CCn1c(N)c(C(=O)CN2CC[C@@H](N(C)Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000363785381 1186352597 /nfs/dbraw/zinc/35/25/97/1186352597.db2.gz DLKIFFWGKGPGOS-OAHLLOKOSA-N 0 3 385.468 0.940 20 0 GCADHN COc1cccc(C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000472114151 1186358826 /nfs/dbraw/zinc/35/88/26/1186358826.db2.gz BCGVWCJSEYWOSY-OXJNMPFZSA-N 0 3 390.528 0.885 20 0 GCADHN COc1cccc(C[C@H](NC(C)=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000472114153 1186358899 /nfs/dbraw/zinc/35/88/99/1186358899.db2.gz BCGVWCJSEYWOSY-UZLBHIALSA-N 0 3 390.528 0.885 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000548631678 1186361075 /nfs/dbraw/zinc/36/10/75/1186361075.db2.gz AQKQOCJDAVWXDY-AWEZNQCLSA-N 0 3 378.473 0.220 20 0 GCADHN C[C@H](CNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)CN1CCN(C)CC1 ZINC000511056232 1186374338 /nfs/dbraw/zinc/37/43/38/1186374338.db2.gz KCELJBDWODIUEP-OAHLLOKOSA-N 0 3 387.484 0.352 20 0 GCADHN NC(=O)N[C@@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000277421077 1186375116 /nfs/dbraw/zinc/37/51/16/1186375116.db2.gz HKBVMRZBKCDYGG-IAGOWNOFSA-N 0 3 375.473 0.730 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000934254612 1186381358 /nfs/dbraw/zinc/38/13/58/1186381358.db2.gz DFGGHCVULLDZKA-SJORKVTESA-N 0 3 382.505 0.255 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1)[NH+](C)C ZINC000106460004 1186383753 /nfs/dbraw/zinc/38/37/53/1186383753.db2.gz ABALSAWBHNZGQE-MRXNPFEDSA-N 0 3 393.513 0.982 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000277449637 1186387900 /nfs/dbraw/zinc/38/79/00/1186387900.db2.gz KFMQDAKCSYZOCU-QZTJIDSGSA-N 0 3 390.484 0.434 20 0 GCADHN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000934262672 1186390248 /nfs/dbraw/zinc/39/02/48/1186390248.db2.gz LNOWALBAIIUFMZ-IRXDYDNUSA-N 0 3 399.488 0.699 20 0 GCADHN CCOC(=O)Cc1csc(NC(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)n1 ZINC000934264145 1186392509 /nfs/dbraw/zinc/39/25/09/1186392509.db2.gz GCIWCLWDSRFINW-LSDHHAIUSA-N 0 3 396.513 0.718 20 0 GCADHN CCOC(=O)Cc1csc(NC(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)n1 ZINC000934264143 1186392834 /nfs/dbraw/zinc/39/28/34/1186392834.db2.gz GCIWCLWDSRFINW-HUUCEWRRSA-N 0 3 396.513 0.718 20 0 GCADHN Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000559468949 1186396979 /nfs/dbraw/zinc/39/69/79/1186396979.db2.gz RYQHNSVYYRUFGZ-IBGZPJMESA-N 0 3 388.512 0.695 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CCN2C1=O ZINC000582073690 1186397109 /nfs/dbraw/zinc/39/71/09/1186397109.db2.gz MSOHTIZQHMQJHC-SOUVJXGZSA-N 0 3 376.844 0.463 20 0 GCADHN CS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000892181879 1186408163 /nfs/dbraw/zinc/40/81/63/1186408163.db2.gz ZCVUSNZAWYZPFA-ZWKOTPCHSA-N 0 3 395.525 0.972 20 0 GCADHN CS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000892181878 1186408399 /nfs/dbraw/zinc/40/83/99/1186408399.db2.gz ZCVUSNZAWYZPFA-ROUUACIJSA-N 0 3 395.525 0.972 20 0 GCADHN CC[C@H]1CN(c2nnc(C)n2CCCN2CCOCC2)CCN1CCOC ZINC001709321744 1186419445 /nfs/dbraw/zinc/41/94/45/1186419445.db2.gz GIWIQVFGQQTYSY-SFHVURJKSA-N 0 3 380.537 0.856 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000582115311 1186421869 /nfs/dbraw/zinc/42/18/69/1186421869.db2.gz NFWLXGLRTADJLR-CQSZACIVSA-N 0 3 390.550 0.599 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCCn1cc(C(N)=O)nn1 ZINC000413447759 1186421925 /nfs/dbraw/zinc/42/19/25/1186421925.db2.gz IQGMQVAEDKHJRH-NVXWUHKLSA-N 0 3 399.499 0.977 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCCn1cc(C(N)=O)nn1 ZINC000413447761 1186421944 /nfs/dbraw/zinc/42/19/44/1186421944.db2.gz IQGMQVAEDKHJRH-WBVHZDCISA-N 0 3 399.499 0.977 20 0 GCADHN C[C@H]1NCCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1C ZINC000277488049 1186427239 /nfs/dbraw/zinc/42/72/39/1186427239.db2.gz NIQIUWAFLLTREO-IDSJHHPBSA-N 0 3 393.509 0.930 20 0 GCADHN C[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)C[C@H]1C(=O)N1CCOCC1 ZINC000375671030 1186429212 /nfs/dbraw/zinc/42/92/12/1186429212.db2.gz DYOHKRBOCNUWLC-QZTJIDSGSA-N 0 3 393.528 0.975 20 0 GCADHN Cc1nc(N(C)CC2(O)CCOCC2)cc(N(C)CC2(O)CCOCC2)n1 ZINC000548692939 1186437362 /nfs/dbraw/zinc/43/73/62/1186437362.db2.gz YXKKCACVGQAADN-UHFFFAOYSA-N 0 3 380.489 0.740 20 0 GCADHN Cn1cc(CNC[C@H]2CN(C)CCN2C)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657358522 1186443438 /nfs/dbraw/zinc/44/34/38/1186443438.db2.gz XMWIKARWKPURGW-INIZCTEOSA-N 0 3 396.495 0.552 20 0 GCADHN C[C@@H](c1ccc(NC(=O)C(=O)NCCN(C)CCO)cc1)N1CCOCC1 ZINC000892219569 1186460271 /nfs/dbraw/zinc/46/02/71/1186460271.db2.gz SXDZVFMNSKSMSP-HNNXBMFYSA-N 0 3 378.473 0.059 20 0 GCADHN CCOCCOc1cc(C)ccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582193028 1186460375 /nfs/dbraw/zinc/46/03/75/1186460375.db2.gz DUZSMPIZBDGDIB-SJORKVTESA-N 0 3 390.484 0.864 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CCN2C1=O ZINC000582193217 1186462579 /nfs/dbraw/zinc/46/25/79/1186462579.db2.gz XEGDMEFDSWFZAL-JKSUJKDBSA-N 0 3 397.435 0.985 20 0 GCADHN O=C(C(=O)N1CCN(C(=O)C2CCCCC2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000582227437 1186469102 /nfs/dbraw/zinc/46/91/02/1186469102.db2.gz ZKBRJCMQDFBWJC-GOSISDBHSA-N 0 3 390.528 0.934 20 0 GCADHN COc1cccc(C(=O)N2CCN(C(=O)NC[C@@H]3CNCCO3)CC2)c1OC ZINC000582231368 1186470261 /nfs/dbraw/zinc/47/02/61/1186470261.db2.gz NLZMLVBQWDDIOV-AWEZNQCLSA-N 0 3 392.456 0.160 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC(C(=O)OC(C)(C)C)CC2)n1 ZINC000582232942 1186471124 /nfs/dbraw/zinc/47/11/24/1186471124.db2.gz TYSSBABUXKAVAG-UHFFFAOYSA-N 0 3 380.493 0.498 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)CCCc3nc(-c4cccs4)no3)CCN2C1=O ZINC000582252650 1186478222 /nfs/dbraw/zinc/47/82/22/1186478222.db2.gz NOHVZUFORJTSCN-VXGBXAGGSA-N 0 3 375.454 0.891 20 0 GCADHN CN1CCC[C@@H](NC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000892236930 1186482561 /nfs/dbraw/zinc/48/25/61/1186482561.db2.gz HHYZOLWNYQZLCR-ZIAGYGMSSA-N 0 3 395.504 0.600 20 0 GCADHN CN(C)[C@H](CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)c1ccccc1 ZINC000109412537 1186484465 /nfs/dbraw/zinc/48/44/65/1186484465.db2.gz XUHFHYCTDIZITO-CYBMUJFWSA-N 0 3 384.440 0.302 20 0 GCADHN CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000582290725 1186488204 /nfs/dbraw/zinc/48/82/04/1186488204.db2.gz ZHFFBXKYARJTIQ-GOSISDBHSA-N 0 3 387.484 0.253 20 0 GCADHN CC(=O)N1CCC(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000582292659 1186488849 /nfs/dbraw/zinc/48/88/49/1186488849.db2.gz GLDDBGNAIQVYSO-UHFFFAOYSA-N 0 3 378.517 0.838 20 0 GCADHN O=C(NC[C@H]1CNCCO1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000582348194 1186500479 /nfs/dbraw/zinc/50/04/79/1186500479.db2.gz RLXYATLUNDJSJS-LSDHHAIUSA-N 0 3 383.470 0.749 20 0 GCADHN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000684830839 1186503663 /nfs/dbraw/zinc/50/36/63/1186503663.db2.gz LVUMVFJXEPWBJF-SFHVURJKSA-N 0 3 388.512 0.957 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)s1 ZINC000582380265 1186508706 /nfs/dbraw/zinc/50/87/06/1186508706.db2.gz UPBLCANQQFYHSH-ZDUSSCGKSA-N 0 3 399.538 0.855 20 0 GCADHN COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000611593775 1186510008 /nfs/dbraw/zinc/51/00/08/1186510008.db2.gz WMBGIUZGNYBHAJ-UHFFFAOYSA-N 0 3 392.456 0.174 20 0 GCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)CCC2 ZINC000582387766 1186511762 /nfs/dbraw/zinc/51/17/62/1186511762.db2.gz LCOZGPSXKCOZPR-PBHICJAKSA-N 0 3 389.500 0.790 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000511116748 1186522829 /nfs/dbraw/zinc/52/28/29/1186522829.db2.gz SDPFFZTVWQQCMG-SFHVURJKSA-N 0 3 386.496 0.614 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2C(=O)OC)CC1 ZINC000611598833 1186523294 /nfs/dbraw/zinc/52/32/94/1186523294.db2.gz XPIXOFWXNUOFJL-UHFFFAOYSA-N 0 3 393.440 0.647 20 0 GCADHN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000431405147 1186527256 /nfs/dbraw/zinc/52/72/56/1186527256.db2.gz WEEFNWNMMNVGLN-UHFFFAOYSA-N 0 3 381.498 0.874 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC(C)(C)OC(C)(C)C2)CC1 ZINC000560015228 1186529719 /nfs/dbraw/zinc/52/97/19/1186529719.db2.gz DPVLIEKXQWVOPO-INIZCTEOSA-N 0 3 382.549 0.792 20 0 GCADHN Cc1cnc([C@H](C)NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000582449705 1186535331 /nfs/dbraw/zinc/53/53/31/1186535331.db2.gz MIFKADUECCJRDV-AWEZNQCLSA-N 0 3 393.513 0.395 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@]2(CCCOC2)O1 ZINC000582472525 1186545589 /nfs/dbraw/zinc/54/55/89/1186545589.db2.gz MROJKCUOKKJBFG-HLIPFELVSA-N 0 3 379.501 0.870 20 0 GCADHN CO[C@@](C)([C@@H](C)NC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)C1CC1 ZINC000582481479 1186546971 /nfs/dbraw/zinc/54/69/71/1186546971.db2.gz IQOWIEXTTRFOEH-BLIXFSHQSA-N 0 3 394.560 0.933 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)CC1=O ZINC000582494081 1186550730 /nfs/dbraw/zinc/55/07/30/1186550730.db2.gz BBRBFDLIXZJEHZ-CQSZACIVSA-N 0 3 385.896 0.449 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](CNCc2n[nH]c(C3CC3)n2)C1 ZINC001087212156 1186550864 /nfs/dbraw/zinc/55/08/64/1186550864.db2.gz PPBJMAIZDDNQID-UQOMUDLDSA-N 0 3 390.488 0.432 20 0 GCADHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582498849 1186552038 /nfs/dbraw/zinc/55/20/38/1186552038.db2.gz YCYKVTLEKRVXLS-DLBZAZTESA-N 0 3 382.468 0.671 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1SC ZINC000582497975 1186552137 /nfs/dbraw/zinc/55/21/37/1186552137.db2.gz CGGXBHRSILVVPM-VXGBXAGGSA-N 0 3 378.454 0.126 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1C ZINC000370950681 1186554948 /nfs/dbraw/zinc/55/49/48/1186554948.db2.gz PGLWHJBPYLKSNO-HNNXBMFYSA-N 0 3 381.498 0.934 20 0 GCADHN COc1coc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[C@H]2C(N)=O)cc1=O ZINC001087214158 1186564695 /nfs/dbraw/zinc/56/46/95/1186564695.db2.gz IMNJQWDLHFRCSI-OSRDXIQISA-N 0 3 377.441 0.487 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)CN[C@H](CO)C2CCOCC2)c1 ZINC000582566019 1186568650 /nfs/dbraw/zinc/56/86/50/1186568650.db2.gz ASOKYRVWKHRCCM-MRXNPFEDSA-N 0 3 385.486 0.253 20 0 GCADHN COc1cccc(OC)c1OC[C@@H](O)CN1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277704317 1186570868 /nfs/dbraw/zinc/57/08/68/1186570868.db2.gz HXENDUXFHLAWLZ-ULQDDVLXSA-N 0 3 391.468 0.885 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)N1CCC(C)CC1 ZINC000582597309 1186579849 /nfs/dbraw/zinc/57/98/49/1186579849.db2.gz IQDKYNNDFQYYLE-MRXNPFEDSA-N 0 3 376.505 0.291 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1 ZINC000277733196 1186582258 /nfs/dbraw/zinc/58/22/58/1186582258.db2.gz KEXJMZOWKSXOIU-SCTDSRPQSA-N 0 3 389.452 0.654 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1 ZINC000277733191 1186582352 /nfs/dbraw/zinc/58/23/52/1186582352.db2.gz KEXJMZOWKSXOIU-LNLFQRSKSA-N 0 3 389.452 0.654 20 0 GCADHN CS(=O)(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000582609376 1186584712 /nfs/dbraw/zinc/58/47/12/1186584712.db2.gz OLHXGJOPUUUMEG-SJORKVTESA-N 0 3 380.514 0.984 20 0 GCADHN COc1cc(OC)c(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OC)c1 ZINC000582617479 1186586864 /nfs/dbraw/zinc/58/68/64/1186586864.db2.gz PUSBFCWTUQIBOE-DOMZBBRYSA-N 0 3 392.456 0.208 20 0 GCADHN CCN1CCN(CCC(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)CC1 ZINC000115726772 1186594168 /nfs/dbraw/zinc/59/41/68/1186594168.db2.gz XZXGCRNCOIAEBE-UHFFFAOYSA-N 0 3 394.541 0.854 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000611678929 1186597615 /nfs/dbraw/zinc/59/76/15/1186597615.db2.gz UPDYDZWHNOEALE-SJORKVTESA-N 0 3 380.514 0.984 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1 ZINC000128048230 1186598978 /nfs/dbraw/zinc/59/89/78/1186598978.db2.gz OAVWYRVKDUSOGS-UHFFFAOYSA-N 0 3 384.484 0.955 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C ZINC000934577672 1186602430 /nfs/dbraw/zinc/60/24/30/1186602430.db2.gz QWMJXXOXRSDTPV-YUELXQCFSA-N 0 3 380.489 0.663 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C ZINC000934577668 1186602619 /nfs/dbraw/zinc/60/26/19/1186602619.db2.gz QWMJXXOXRSDTPV-BPLDGKMQSA-N 0 3 380.489 0.663 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)ncn2)CC1 ZINC000277780765 1186605747 /nfs/dbraw/zinc/60/57/47/1186605747.db2.gz LWNAREVCIAGKSJ-DLBZAZTESA-N 0 3 388.516 0.571 20 0 GCADHN Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(O[C@@H]2CCOC2)c1 ZINC000582677528 1186606357 /nfs/dbraw/zinc/60/63/57/1186606357.db2.gz YYUBOCMRACBFPR-GVDBMIGSSA-N 0 3 388.468 0.616 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNC(=O)COc1ccccc1 ZINC000116622014 1186609690 /nfs/dbraw/zinc/60/96/90/1186609690.db2.gz RAEPLCVMQQPRQF-KRWDZBQOSA-N 0 3 390.484 0.241 20 0 GCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)Nc1ccnc(OCCO)c1 ZINC000657522062 1186609967 /nfs/dbraw/zinc/60/99/67/1186609967.db2.gz HDXLIMRIUFQHRT-UHFFFAOYSA-N 0 3 398.463 0.956 20 0 GCADHN CCNC(=O)CN1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000128390625 1186614486 /nfs/dbraw/zinc/61/44/86/1186614486.db2.gz HEASDINCMYPZSH-HKUYNNGSSA-N 0 3 387.528 0.970 20 0 GCADHN Cc1c(C(=O)N2CC[C@H](CO)[C@@H](O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000684984977 1186615193 /nfs/dbraw/zinc/61/51/93/1186615193.db2.gz OGHRJBLWKNWNEN-QAPCUYQASA-N 0 3 385.468 0.379 20 0 GCADHN CCCc1csc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000582703494 1186618363 /nfs/dbraw/zinc/61/83/63/1186618363.db2.gz DZIHACDRHNQZLQ-UHFFFAOYSA-N 0 3 393.513 0.801 20 0 GCADHN C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000074657091 1186625919 /nfs/dbraw/zinc/62/59/19/1186625919.db2.gz YOYXLDSBALTDLS-ZWKOTPCHSA-N 0 3 379.549 0.914 20 0 GCADHN O=C(NCCCN1CCOCC1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000153130396 1186626263 /nfs/dbraw/zinc/62/62/63/1186626263.db2.gz RTEKGVJGLBGTNU-MOPGFXCFSA-N 0 3 376.501 0.643 20 0 GCADHN Cc1cc(-n2cncn2)ccc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000153127378 1186626280 /nfs/dbraw/zinc/62/62/80/1186626280.db2.gz OZDCXVFTOIHKKE-SFHVURJKSA-N 0 3 382.468 0.954 20 0 GCADHN C[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000074657089 1186626380 /nfs/dbraw/zinc/62/63/80/1186626380.db2.gz YOYXLDSBALTDLS-ROUUACIJSA-N 0 3 379.549 0.914 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](C)CCO)cc2)CC1 ZINC000076669932 1186637866 /nfs/dbraw/zinc/63/78/66/1186637866.db2.gz UNBQVVIDOBTWMC-INIZCTEOSA-N 0 3 376.501 0.897 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(cc[nH]c3=O)c2)CC1 ZINC000657577302 1186645843 /nfs/dbraw/zinc/64/58/43/1186645843.db2.gz IPZYXUFVTWANNB-HNNXBMFYSA-N 0 3 399.495 0.856 20 0 GCADHN CC(C)CC(=O)N[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC000153214325 1186658794 /nfs/dbraw/zinc/65/87/94/1186658794.db2.gz QVMQNEZFEVOPQC-FUHWJXTLSA-N 0 3 380.533 0.938 20 0 GCADHN CN(CCN1C(=O)NC(C)(C)C1=O)[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000972402330 1186704708 /nfs/dbraw/zinc/70/47/08/1186704708.db2.gz VFESABMQRGJJKQ-YJNKXOJESA-N 0 3 378.473 0.417 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H](C)S1 ZINC000582831535 1186705414 /nfs/dbraw/zinc/70/54/14/1186705414.db2.gz XQEXBLOGMSOMOU-HUUCEWRRSA-N 0 3 382.530 0.105 20 0 GCADHN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611725765 1186709807 /nfs/dbraw/zinc/70/98/07/1186709807.db2.gz QCZJYCNGTCDECL-TWMKSMIVSA-N 0 3 377.485 0.430 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000642927029 1186711062 /nfs/dbraw/zinc/71/10/62/1186711062.db2.gz GWAKKZXGMFHARK-UHFFFAOYSA-N 0 3 397.589 0.858 20 0 GCADHN C[C@@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)N1CCN(c2ccccc2)CC1 ZINC000650662169 1186713112 /nfs/dbraw/zinc/71/31/12/1186713112.db2.gz BICVVVXYIDGCQZ-FXAWDEMLSA-N 0 3 387.528 0.658 20 0 GCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)NC(=O)NCC(C)C)CC1 ZINC000582868450 1186717398 /nfs/dbraw/zinc/71/73/98/1186717398.db2.gz CDJZIHXUBBFCDA-AWEZNQCLSA-N 0 3 390.550 0.850 20 0 GCADHN O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N(CCO)CCOCCO ZINC000628175382 1186718984 /nfs/dbraw/zinc/71/89/84/1186718984.db2.gz VOIJKOLMMQDLRN-QGZVFWFLSA-N 0 3 386.439 0.974 20 0 GCADHN O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000657687860 1186720728 /nfs/dbraw/zinc/72/07/28/1186720728.db2.gz LSAUXIJTHNLOGX-SFHVURJKSA-N 0 3 384.480 0.668 20 0 GCADHN CCC(CC)N1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1=O ZINC000152611782 1186723895 /nfs/dbraw/zinc/72/38/95/1186723895.db2.gz ULZQEZQUALLNSQ-RDJZCZTQSA-N 0 3 378.517 0.789 20 0 GCADHN CCC(CC)N1C[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1=O ZINC000152611674 1186724192 /nfs/dbraw/zinc/72/41/92/1186724192.db2.gz ULZQEZQUALLNSQ-WBVHZDCISA-N 0 3 378.517 0.789 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCc4c3cccc4C(F)(F)F)CCN2C1=O ZINC000582914746 1186728104 /nfs/dbraw/zinc/72/81/04/1186728104.db2.gz GCGPXZHYOOZVQU-MFKMUULPSA-N 0 3 396.369 0.365 20 0 GCADHN CCN(C(C)=O)c1ccc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cn1 ZINC000657699425 1186729902 /nfs/dbraw/zinc/72/99/02/1186729902.db2.gz ILPKGYMVXJEJMG-GOSISDBHSA-N 0 3 393.513 0.946 20 0 GCADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000685054731 1186732463 /nfs/dbraw/zinc/73/24/63/1186732463.db2.gz FEBMFTVXOCTYOB-QGZVFWFLSA-N 0 3 388.512 0.998 20 0 GCADHN CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@]1(O)CN3CCC1CC3)C2=O ZINC000582955839 1186736991 /nfs/dbraw/zinc/73/69/91/1186736991.db2.gz DQSPGBGMXOUBPL-PSMHFXKOSA-N 0 3 378.473 0.060 20 0 GCADHN Cc1ccc(C(=O)NC[C@H]2CNCCO2)cc1S(=O)(=O)NC1CCCC1 ZINC000582958990 1186737533 /nfs/dbraw/zinc/73/75/33/1186737533.db2.gz PIDFOYGFIZLFIB-MRXNPFEDSA-N 0 3 381.498 0.934 20 0 GCADHN Cn1c(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc2cccc(Cl)c21 ZINC000582975789 1186740402 /nfs/dbraw/zinc/74/04/02/1186740402.db2.gz KPNVCLFNUUUECD-ZYHUDNBSSA-N 0 3 376.848 0.680 20 0 GCADHN O=S(=O)(c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1)N1CCOCC1 ZINC000892319328 1186742576 /nfs/dbraw/zinc/74/25/76/1186742576.db2.gz LUINUNVFFXNCQE-OALUTQOASA-N 0 3 395.525 0.743 20 0 GCADHN COCc1cccc(CNC(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000162233876 1186747132 /nfs/dbraw/zinc/74/71/32/1186747132.db2.gz LETYKPHYXSFWTB-LJQANCHMSA-N 0 3 388.512 0.688 20 0 GCADHN CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000657715903 1186749511 /nfs/dbraw/zinc/74/95/11/1186749511.db2.gz OCADFVDMJOCWNE-SJORKVTESA-N 0 3 385.468 0.841 20 0 GCADHN C[C@H]1CN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CCN1CC(C)(C)O ZINC000780503626 1186749802 /nfs/dbraw/zinc/74/98/02/1186749802.db2.gz MFUUTCFWNZPCMQ-HNNXBMFYSA-N 0 3 388.468 0.712 20 0 GCADHN Cc1cc(N(C)C)ccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000122207074 1186751659 /nfs/dbraw/zinc/75/16/59/1186751659.db2.gz IJCXMMAUGURHTH-HNNXBMFYSA-N 0 3 375.517 0.999 20 0 GCADHN C[C@H]1CN(Cn2nc(C3CC3)n(CCC(N)=O)c2=S)CCN1CC(C)(C)O ZINC000780503538 1186752680 /nfs/dbraw/zinc/75/26/80/1186752680.db2.gz IBDLSGLAEWFYEK-ZDUSSCGKSA-N 0 3 396.561 0.901 20 0 GCADHN CN(C)C(=O)Cc1nc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC000162377750 1186759975 /nfs/dbraw/zinc/75/99/75/1186759975.db2.gz ASLKLMJVYLYJBD-HNNXBMFYSA-N 0 3 379.530 0.512 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000583098699 1186770420 /nfs/dbraw/zinc/77/04/20/1186770420.db2.gz VDHSLPXSNLRGCW-MRXNPFEDSA-N 0 3 376.505 0.607 20 0 GCADHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@@H](C)C1 ZINC000583098257 1186770470 /nfs/dbraw/zinc/77/04/70/1186770470.db2.gz SGPVFRGBTYKYDN-DZKIICNBSA-N 0 3 383.456 0.790 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC3(CO)CCC3)cc21 ZINC000278079902 1186770941 /nfs/dbraw/zinc/77/09/41/1186770941.db2.gz NHWBAKDBTVXFMU-UHFFFAOYSA-N 0 3 376.413 0.126 20 0 GCADHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583154868 1186783660 /nfs/dbraw/zinc/78/36/60/1186783660.db2.gz KOIYGVMCCWLMNN-YQPCPPDFSA-N 0 3 388.443 0.336 20 0 GCADHN Cn1nc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c2ccccc2c1=O ZINC000728552038 1186790544 /nfs/dbraw/zinc/79/05/44/1186790544.db2.gz RWYQTXXYTUTDLB-UHFFFAOYSA-N 0 3 383.452 0.314 20 0 GCADHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569622525 1186791430 /nfs/dbraw/zinc/79/14/30/1186791430.db2.gz JVEPQXRFHIORJH-ZIAGYGMSSA-N 0 3 389.456 0.563 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000583194739 1186792677 /nfs/dbraw/zinc/79/26/77/1186792677.db2.gz NROASGMCVIZQQS-IAGOWNOFSA-N 0 3 380.533 0.689 20 0 GCADHN C=C1c2ccccc2C(=O)N1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728551952 1186792824 /nfs/dbraw/zinc/79/28/24/1186792824.db2.gz UJHXRJDWJUOZGB-UHFFFAOYSA-N 0 3 382.464 0.880 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)C1CCOCC1 ZINC000583224869 1186801434 /nfs/dbraw/zinc/80/14/34/1186801434.db2.gz USRHEEWESFMQDO-RTBURBONSA-N 0 3 394.560 0.935 20 0 GCADHN CN(CCCN(C)C(=O)C1CCN(S(N)(=O)=O)CC1)Cc1ccncc1 ZINC000583228775 1186801864 /nfs/dbraw/zinc/80/18/64/1186801864.db2.gz JWDGVLVISRSPTB-UHFFFAOYSA-N 0 3 383.518 0.277 20 0 GCADHN O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccn1)[C@H]1CN2CCN1CCC2 ZINC000583238489 1186804571 /nfs/dbraw/zinc/80/45/71/1186804571.db2.gz AUVSKTMUNQQCSK-OAHLLOKOSA-N 0 3 379.486 0.195 20 0 GCADHN CCNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CCN(CCOC)C2)c1 ZINC000458447598 1186806077 /nfs/dbraw/zinc/80/60/77/1186806077.db2.gz WODXUOACSJZGEP-HNNXBMFYSA-N 0 3 384.502 0.505 20 0 GCADHN CN(C)C[C@@H]1CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CCO1 ZINC000155340094 1186814223 /nfs/dbraw/zinc/81/42/23/1186814223.db2.gz XATRMCGQVKKSLP-OAHLLOKOSA-N 0 3 380.514 0.295 20 0 GCADHN O=C(NCC1CCS(=O)(=O)CC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000535985499 1186815291 /nfs/dbraw/zinc/81/52/91/1186815291.db2.gz WQOIGHNGKRPTNE-IBGZPJMESA-N 0 3 395.525 0.747 20 0 GCADHN Cc1ccc(CNC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1F ZINC000162818331 1186815315 /nfs/dbraw/zinc/81/53/15/1186815315.db2.gz AXRXGKXSNIZRLX-SFHVURJKSA-N 0 3 376.476 0.989 20 0 GCADHN O=C(NCC1CCS(=O)(=O)CC1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000535985501 1186815513 /nfs/dbraw/zinc/81/55/13/1186815513.db2.gz WQOIGHNGKRPTNE-LJQANCHMSA-N 0 3 395.525 0.747 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000150875678 1186819120 /nfs/dbraw/zinc/81/91/20/1186819120.db2.gz YFGFBISWIJLVEB-BBRMVZONSA-N 0 3 379.486 0.506 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000150875792 1186819187 /nfs/dbraw/zinc/81/91/87/1186819187.db2.gz YFGFBISWIJLVEB-CZUORRHYSA-N 0 3 379.486 0.506 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)O2)CC1 ZINC000583294143 1186820341 /nfs/dbraw/zinc/82/03/41/1186820341.db2.gz QWCAJCHJIJSTNT-OWCLPIDISA-N 0 3 395.500 0.641 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)O2)CC1 ZINC000583294142 1186820792 /nfs/dbraw/zinc/82/07/92/1186820792.db2.gz QWCAJCHJIJSTNT-HRCADAONSA-N 0 3 395.500 0.641 20 0 GCADHN C[C@@H]1COCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001708259831 1186822584 /nfs/dbraw/zinc/82/25/84/1186822584.db2.gz HNLKWNGEHPYYOW-CABCVRRESA-N 0 3 399.561 0.993 20 0 GCADHN C([C@@H]1CCOC1)n1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000583335401 1186828836 /nfs/dbraw/zinc/82/88/36/1186828836.db2.gz OGBDXSUXVAMNRH-FGTMMUONSA-N 0 3 391.516 0.977 20 0 GCADHN CCOc1cc(Cl)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583333866 1186829171 /nfs/dbraw/zinc/82/91/71/1186829171.db2.gz IGFTXVBLPUOPNY-UONOGXRCSA-N 0 3 394.859 0.125 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1 ZINC000156003210 1186837121 /nfs/dbraw/zinc/83/71/21/1186837121.db2.gz UZSPDAOPEMTIFD-AWEZNQCLSA-N 0 3 382.530 0.707 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1=O ZINC000583378883 1186840545 /nfs/dbraw/zinc/84/05/45/1186840545.db2.gz RFHBKQGDOWGKDE-INIZCTEOSA-N 0 3 383.537 0.075 20 0 GCADHN CC[C@H](C)N[C@@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccco1 ZINC000583400495 1186845426 /nfs/dbraw/zinc/84/54/26/1186845426.db2.gz DURDBNFGRUSWEL-JSGCOSHPSA-N 0 3 383.474 0.537 20 0 GCADHN CC[C@@H](C)N[C@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccco1 ZINC000583400497 1186845529 /nfs/dbraw/zinc/84/55/29/1186845529.db2.gz DURDBNFGRUSWEL-TZMCWYRMSA-N 0 3 383.474 0.537 20 0 GCADHN CN(C)[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)Cc1ccccc1 ZINC000536014388 1186848376 /nfs/dbraw/zinc/84/83/76/1186848376.db2.gz PRPCAGYGESZDCY-OAHLLOKOSA-N 0 3 397.479 0.478 20 0 GCADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)n(-c2ccc(F)cc2)n1 ZINC000583451722 1186857609 /nfs/dbraw/zinc/85/76/09/1186857609.db2.gz FENALEHCJMSMKC-JKSUJKDBSA-N 0 3 386.431 0.502 20 0 GCADHN COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1=O ZINC000458540563 1186862219 /nfs/dbraw/zinc/86/22/19/1186862219.db2.gz RKDYCDZZNUZKLG-HOTGVXAUSA-N 0 3 390.484 0.947 20 0 GCADHN CO[C@H]1C[C@@H](CN2CCCC2)N(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)C1 ZINC000329174402 1186869244 /nfs/dbraw/zinc/86/92/44/1186869244.db2.gz LDRYRXDXARYUEH-IRXDYDNUSA-N 0 3 399.557 0.902 20 0 GCADHN CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000049055076 1186875063 /nfs/dbraw/zinc/87/50/63/1186875063.db2.gz ZBFMBJMCBORVDH-OAHLLOKOSA-N 0 3 389.500 0.716 20 0 GCADHN CCc1n[nH]c(=O)c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1CC ZINC000128202051 1186883633 /nfs/dbraw/zinc/88/36/33/1186883633.db2.gz JIHGWEDEQOUQSB-OAHLLOKOSA-N 0 3 377.489 0.567 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000375740442 1186891149 /nfs/dbraw/zinc/89/11/49/1186891149.db2.gz BSBNTDKSKYGHAC-BZUAXINKSA-N 0 3 386.518 0.059 20 0 GCADHN Cc1cc(CNC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc(C)n1 ZINC000583624986 1186902671 /nfs/dbraw/zinc/90/26/71/1186902671.db2.gz RLIJQABFNIPSJX-IBGZPJMESA-N 0 3 387.528 0.942 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685175332 1186911529 /nfs/dbraw/zinc/91/15/29/1186911529.db2.gz ZLVSKXUFCQTPRY-IJEWVQPXSA-N 0 3 390.488 0.021 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c(F)ccc(OC)c2OC)CC1=O ZINC000583655884 1186912138 /nfs/dbraw/zinc/91/21/38/1186912138.db2.gz WWVYEZHBQPKMRE-ZDUSSCGKSA-N 0 3 397.447 0.752 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCNC(=O)c1cnccn1 ZINC000583669904 1186915703 /nfs/dbraw/zinc/91/57/03/1186915703.db2.gz OGQOLMCVCBSFES-CQSZACIVSA-N 0 3 376.461 0.101 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c2ccccc2O1 ZINC000583676044 1186915765 /nfs/dbraw/zinc/91/57/65/1186915765.db2.gz RWUKZSJEXVDLBT-PBHICJAKSA-N 0 3 389.452 0.895 20 0 GCADHN CO[C@]1(C)C[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1(C)C ZINC000685185375 1186921497 /nfs/dbraw/zinc/92/14/97/1186921497.db2.gz HRHLHYVATJYATK-BXTJHSDWSA-N 0 3 394.516 0.071 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4cc(F)cc(F)c4)C3)CCN2C1=O ZINC000583705378 1186923740 /nfs/dbraw/zinc/92/37/40/1186923740.db2.gz WSENYWXMWVBIME-MPESAESLSA-N 0 3 392.406 0.097 20 0 GCADHN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583704698 1186923868 /nfs/dbraw/zinc/92/38/68/1186923868.db2.gz NXLKARVNHCWGPL-CWSCBRNRSA-N 0 3 399.278 0.882 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cc(F)c(Cl)cc3F)CCN2C1=O ZINC000583705079 1186923921 /nfs/dbraw/zinc/92/39/21/1186923921.db2.gz CHDZVJYVVLAYQQ-NOZJJQNGSA-N 0 3 386.786 0.005 20 0 GCADHN CN(CCCOc1ccc(F)cc1)C(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583704951 1186923936 /nfs/dbraw/zinc/92/39/36/1186923936.db2.gz WZTYRFVOBSVNDZ-RDJZCZTQSA-N 0 3 378.448 0.297 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C[C@H](O)COc2c(OC)cccc2OC)C1 ZINC000278386869 1186926021 /nfs/dbraw/zinc/92/60/21/1186926021.db2.gz UYFMSOSYXUAHCS-YESZJQIVSA-N 0 3 399.484 0.789 20 0 GCADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC000583725107 1186926938 /nfs/dbraw/zinc/92/69/38/1186926938.db2.gz UJJFGXZYVBPCJP-INIZCTEOSA-N 0 3 377.489 0.003 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCCS2)CC1 ZINC000685191936 1186929375 /nfs/dbraw/zinc/92/93/75/1186929375.db2.gz BQVIVDURNPPUJY-LSDHHAIUSA-N 0 3 382.530 0.153 20 0 GCADHN Cn1cnc(S(=O)(=O)NCC(=O)N(Cc2ccco2)C2CCN(C)CC2)c1 ZINC000130079295 1186932401 /nfs/dbraw/zinc/93/24/01/1186932401.db2.gz MLHWHLXNTAFQJX-UHFFFAOYSA-N 0 3 395.485 0.414 20 0 GCADHN O=C(c1ccc(CNC[C@@H](O)COc2ccccc2)cc1)N1CCNC(=O)C1 ZINC000583765210 1186934920 /nfs/dbraw/zinc/93/49/20/1186934920.db2.gz DWVYTMZRDVOOIR-GOSISDBHSA-N 0 3 383.448 0.788 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000583764759 1186934994 /nfs/dbraw/zinc/93/49/94/1186934994.db2.gz SXFGTLQHEUDZMA-PWSUYJOCSA-N 0 3 386.330 0.294 20 0 GCADHN CC1(C)CCCN(CCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000574891860 1186940152 /nfs/dbraw/zinc/94/01/52/1186940152.db2.gz LKFIVKGDBNEJME-GJZGRUSLSA-N 0 3 385.530 0.260 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)C2)CC1 ZINC000583795792 1186940824 /nfs/dbraw/zinc/94/08/24/1186940824.db2.gz UYISBRCYZIOXHO-UHFFFAOYSA-N 0 3 390.528 0.792 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000583824150 1186945981 /nfs/dbraw/zinc/94/59/81/1186945981.db2.gz UZOILPDFZPHIIH-VBNZEHGJSA-N 0 3 384.436 0.078 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1=O ZINC000458690564 1186946386 /nfs/dbraw/zinc/94/63/86/1186946386.db2.gz LJGYKRFOYWBZHO-HOTGVXAUSA-N 0 3 392.504 0.544 20 0 GCADHN O=C(NCCCN1CCOCC1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000130937649 1186949802 /nfs/dbraw/zinc/94/98/02/1186949802.db2.gz FYPPMCPCCWWIQU-WOJBJXKFSA-N 0 3 390.528 0.891 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F ZINC000583843005 1186950416 /nfs/dbraw/zinc/95/04/16/1186950416.db2.gz UTUJTDZLHVHLGX-GFCCVEGCSA-N 0 3 398.410 0.968 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)NCc3ccn(C)n3)CC2)C[C@H](C)O1 ZINC000583890120 1186958012 /nfs/dbraw/zinc/95/80/12/1186958012.db2.gz QSVBUTMCILZTRI-GJZGRUSLSA-N 0 3 377.489 0.384 20 0 GCADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCC[C@@H](n3cc(CN)nn3)C1)CO2 ZINC000583921855 1186962581 /nfs/dbraw/zinc/96/25/81/1186962581.db2.gz DGYJNOIWWIKEAW-GDBMZVCRSA-N 0 3 384.440 0.459 20 0 GCADHN NS(=O)(=O)CCN1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000278524238 1186969161 /nfs/dbraw/zinc/96/91/61/1186969161.db2.gz CYOHWFYNNROWBP-LJQANCHMSA-N 0 3 396.557 0.184 20 0 GCADHN COc1cc(CN[C@]2(CCO)CCOC2)ccc1OCC(=O)N1CCOCC1 ZINC000278530439 1186970058 /nfs/dbraw/zinc/97/00/58/1186970058.db2.gz UYCDYLSCUOJTLN-HXUWFJFHSA-N 0 3 394.468 0.564 20 0 GCADHN COC(=O)c1c(C)[nH]c(C(=O)NCCCCN2CCN(CCO)CC2)c1C ZINC000536173521 1186970347 /nfs/dbraw/zinc/97/03/47/1186970347.db2.gz CXCIYINGEXPIPV-UHFFFAOYSA-N 0 3 380.489 0.538 20 0 GCADHN CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000536175143 1186970638 /nfs/dbraw/zinc/97/06/38/1186970638.db2.gz OAOGLAULMLYNGC-KRWDZBQOSA-N 0 3 383.537 0.075 20 0 GCADHN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@H]1CCCN(CCCO)C1 ZINC000458754274 1186975369 /nfs/dbraw/zinc/97/53/69/1186975369.db2.gz KVUWQYHXWUFYOK-KBPBESRZSA-N 0 3 382.427 0.396 20 0 GCADHN CCC1(O)CCC(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000685248538 1186975522 /nfs/dbraw/zinc/97/55/22/1186975522.db2.gz LKBWEUXYLYIAEO-NGEICVOHSA-N 0 3 396.532 0.245 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000584018823 1186982488 /nfs/dbraw/zinc/98/24/88/1186982488.db2.gz ZNCVOADUFXTUCZ-CVEARBPZSA-N 0 3 378.473 0.509 20 0 GCADHN O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000584038693 1186985968 /nfs/dbraw/zinc/98/59/68/1186985968.db2.gz XZSLPVJEYHLRAO-IRXDYDNUSA-N 0 3 381.521 0.813 20 0 GCADHN COCC(=O)N(C)CC(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000536201628 1186987328 /nfs/dbraw/zinc/98/73/28/1186987328.db2.gz HNRMFHRITRIUSY-OAHLLOKOSA-N 0 3 376.457 0.427 20 0 GCADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)C[C@@H](C)O2 ZINC000584039273 1186987999 /nfs/dbraw/zinc/98/79/99/1186987999.db2.gz YRRVCEIXWHUZNJ-PDOICOKGSA-N 0 3 379.501 0.868 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCCN(C(C)C)CC1 ZINC000329647138 1186990601 /nfs/dbraw/zinc/99/06/01/1186990601.db2.gz JBZDPKNBRGZODL-CQSZACIVSA-N 0 3 385.534 0.646 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC(OC[C@H]3CCOC3)CC2)C1 ZINC000584067478 1186992644 /nfs/dbraw/zinc/99/26/44/1186992644.db2.gz SDTAPRBVSNEKDX-SJORKVTESA-N 0 3 381.517 0.879 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)C1 ZINC000584067475 1186992683 /nfs/dbraw/zinc/99/26/83/1186992683.db2.gz SDTAPRBVSNEKDX-DLBZAZTESA-N 0 3 381.517 0.879 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000151651959 1187005913 /nfs/dbraw/zinc/00/59/13/1187005913.db2.gz GVALLXRPILLBBG-GDBMZVCRSA-N 0 3 393.513 0.376 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000151652125 1187006327 /nfs/dbraw/zinc/00/63/27/1187006327.db2.gz GVALLXRPILLBBG-ZBFHGGJFSA-N 0 3 393.513 0.376 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)CC1 ZINC000151670476 1187009429 /nfs/dbraw/zinc/00/94/29/1187009429.db2.gz FWFUSMDEUIZNQM-SJORKVTESA-N 0 3 388.578 0.436 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CC1 ZINC000151670316 1187009591 /nfs/dbraw/zinc/00/95/91/1187009591.db2.gz FWFUSMDEUIZNQM-IAGOWNOFSA-N 0 3 388.578 0.436 20 0 GCADHN CCc1cccc(OC[C@H](O)CNCCNS(=O)(=O)c2cccnc2)c1 ZINC000584227277 1187017725 /nfs/dbraw/zinc/01/77/25/1187017725.db2.gz MHMNNVPXNMEETF-MRXNPFEDSA-N 0 3 379.482 0.952 20 0 GCADHN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000584232767 1187018956 /nfs/dbraw/zinc/01/89/56/1187018956.db2.gz VNBBYLSXLRWVSS-WBVHZDCISA-N 0 3 376.457 0.643 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(-c4ccccc4)o3)CCN2C1=O ZINC000584243464 1187020607 /nfs/dbraw/zinc/02/06/07/1187020607.db2.gz BXQRJCINRMBPEH-GDBMZVCRSA-N 0 3 382.420 0.333 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccncc3OCC(F)(F)F)CCN2C1=O ZINC000584243728 1187020634 /nfs/dbraw/zinc/02/06/34/1187020634.db2.gz WQJSCKVLEMMYNA-RYUDHWBXSA-N 0 3 387.362 0.476 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000584260268 1187022541 /nfs/dbraw/zinc/02/25/41/1187022541.db2.gz WZBHZYSUPIAGPA-BRWVUGGUSA-N 0 3 399.532 0.095 20 0 GCADHN CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1(C)C ZINC000584257598 1187023141 /nfs/dbraw/zinc/02/31/41/1187023141.db2.gz AIHLLDSDOBJIRW-DLBZAZTESA-N 0 3 382.549 0.791 20 0 GCADHN CNC(=O)[C@H](NC(=O)CN1CCN(C2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000278697265 1187024087 /nfs/dbraw/zinc/02/40/87/1187024087.db2.gz PXXXBOFRCQODCE-OXQOHEQNSA-N 0 3 388.512 0.775 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC(C)(C)CC2)CC1 ZINC000584277845 1187024485 /nfs/dbraw/zinc/02/44/85/1187024485.db2.gz MQUWPQKSKIQCNK-MRXNPFEDSA-N 0 3 378.517 0.790 20 0 GCADHN CN(C)c1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c2ccccc2n1 ZINC000584303342 1187028606 /nfs/dbraw/zinc/02/86/06/1187028606.db2.gz SQIDGQOCTUAFRH-GOEBONIOSA-N 0 3 382.468 0.754 20 0 GCADHN Cc1[nH]cnc1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000278731925 1187038291 /nfs/dbraw/zinc/03/82/91/1187038291.db2.gz UIJHVCXHDDFTCV-UHFFFAOYSA-N 0 3 378.454 0.598 20 0 GCADHN Cn1ccnc1[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(F)cc1 ZINC000584362111 1187039727 /nfs/dbraw/zinc/03/97/27/1187039727.db2.gz NSLJBHAUZXXPOB-ARFHVFGLSA-N 0 3 386.431 0.602 20 0 GCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cnc2ccccn2c1=O ZINC000159348324 1187043830 /nfs/dbraw/zinc/04/38/30/1187043830.db2.gz FLONBNGWIYIKPE-QGZVFWFLSA-N 0 3 378.432 0.844 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC000611837922 1187046086 /nfs/dbraw/zinc/04/60/86/1187046086.db2.gz LWYARFLFCVNQNH-INIZCTEOSA-N 0 3 386.496 0.978 20 0 GCADHN CCC(CC)[C@H](CNC(=O)C(=O)N(C)CCN1CCCC1)N1CCOCC1 ZINC000584399370 1187050412 /nfs/dbraw/zinc/05/04/12/1187050412.db2.gz ZHCWDJQFSWLNCV-SFHVURJKSA-N 0 3 382.549 0.794 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccnn2CC(C)C)CC1 ZINC000151883271 1187053158 /nfs/dbraw/zinc/05/31/58/1187053158.db2.gz HFBYCOSMZNNTKY-INIZCTEOSA-N 0 3 378.521 0.867 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)CN(C)c2ncnc3nc[nH]c32)C[C@H](C)O1 ZINC000085456179 1187055056 /nfs/dbraw/zinc/05/50/56/1187055056.db2.gz UBBUCEMKLRCVQR-KBPBESRZSA-N 0 3 375.477 0.795 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000685306301 1187062798 /nfs/dbraw/zinc/06/27/98/1187062798.db2.gz AUNIYSMRYYUITI-XYJFISCASA-N 0 3 378.517 0.156 20 0 GCADHN CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000657865598 1187068811 /nfs/dbraw/zinc/06/88/11/1187068811.db2.gz BBHAXHOURUYKFQ-UHFFFAOYSA-N 0 3 396.513 0.964 20 0 GCADHN COc1ccc(C)cc1CN1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000657864813 1187068832 /nfs/dbraw/zinc/06/88/32/1187068832.db2.gz FYHHTQYWOUTSNQ-UHFFFAOYSA-N 0 3 376.501 0.668 20 0 GCADHN CN(CCNCC(=O)N1CCC(C(N)=O)CC1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001267375030 1187070458 /nfs/dbraw/zinc/07/04/58/1187070458.db2.gz RPDVPHZRDDDLCL-HLLBOEOZSA-N 0 3 376.501 0.361 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CCCN(C)C)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001719799102 1187080530 /nfs/dbraw/zinc/08/05/30/1187080530.db2.gz DQGASHDRYWKQMF-LVQVYYBASA-N 0 3 385.530 0.211 20 0 GCADHN CCn1c2ccc(C(=O)NCCCCN3CCN(C)CC3)cc2[nH]c(=O)c1=O ZINC000147538167 1187086882 /nfs/dbraw/zinc/08/68/82/1187086882.db2.gz NYMNDMYQENYJBX-UHFFFAOYSA-N 0 3 387.484 0.467 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000685338995 1187103138 /nfs/dbraw/zinc/10/31/38/1187103138.db2.gz BPMPKPVKEDTQHZ-YTQUADARSA-N 0 3 388.512 0.555 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)o1 ZINC000685340231 1187103655 /nfs/dbraw/zinc/10/36/55/1187103655.db2.gz PKAQSBXKTPMGFD-WBVHZDCISA-N 0 3 380.489 0.314 20 0 GCADHN O=C(CCNC(=O)c1cccc(CN2CCCC2)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000139270123 1187115511 /nfs/dbraw/zinc/11/55/11/1187115511.db2.gz HYNCZKUNNFDPRC-KRWDZBQOSA-N 0 3 393.509 0.706 20 0 GCADHN O=C1N[C@@H](CN2CCCCC2)C(=O)N1C[C@@]1(N2CCOCC2)CCSC1 ZINC000924514886 1187126748 /nfs/dbraw/zinc/12/67/48/1187126748.db2.gz DMTJNAWUIWUDOU-YJBOKZPZSA-N 0 3 382.530 0.601 20 0 GCADHN C[C@H](NC(=O)C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1)C1=CCN(C)CC1 ZINC000685444357 1187129126 /nfs/dbraw/zinc/12/91/26/1187129126.db2.gz VXOTYVBKTXODJB-AWEZNQCLSA-N 0 3 393.509 0.815 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccnn1C ZINC000685480448 1187133309 /nfs/dbraw/zinc/13/33/09/1187133309.db2.gz PLOWPWCRDGAMNL-IAGOWNOFSA-N 0 3 393.532 0.845 20 0 GCADHN COCCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000140401216 1187138620 /nfs/dbraw/zinc/13/86/20/1187138620.db2.gz HMAZZENFAMIMMB-UHFFFAOYSA-N 0 3 398.529 0.847 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000685519999 1187141951 /nfs/dbraw/zinc/14/19/51/1187141951.db2.gz BCXNXZBOIIFRQJ-SJORKVTESA-N 0 3 380.533 0.404 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000685520564 1187143721 /nfs/dbraw/zinc/14/37/21/1187143721.db2.gz MTEBNDYUOGVQQU-HZPDHXFCSA-N 0 3 378.517 0.836 20 0 GCADHN COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000685520997 1187144254 /nfs/dbraw/zinc/14/42/54/1187144254.db2.gz PHPWSSYVKCERFM-INIZCTEOSA-N 0 3 396.532 0.224 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000375777090 1187144997 /nfs/dbraw/zinc/14/49/97/1187144997.db2.gz PXGJCWKYOPCJEK-INIZCTEOSA-N 0 3 376.432 0.496 20 0 GCADHN COC(=O)[C@@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@H]1C(=O)OC ZINC000511301919 1187149176 /nfs/dbraw/zinc/14/91/76/1187149176.db2.gz BVPZIVRZUZBVRN-NVXWUHKLSA-N 0 3 396.484 0.975 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000152760008 1187152624 /nfs/dbraw/zinc/15/26/24/1187152624.db2.gz PRGHOVAVKGBUAD-NVXWUHKLSA-N 0 3 376.501 0.543 20 0 GCADHN O=C(NCc1nc(C[NH2+]C[C@H]2CCCCO2)cc(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001087258417 1187161621 /nfs/dbraw/zinc/16/16/21/1187161621.db2.gz JTCDGOZUONASPG-TVRAHDOYSA-N 0 3 388.468 0.881 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)[C@@H]3C2)O1 ZINC000972738239 1187209783 /nfs/dbraw/zinc/20/97/83/1187209783.db2.gz VEPYFLTWXAZQFD-JOCBIADPSA-N 0 3 378.517 0.249 20 0 GCADHN CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000658020699 1187233571 /nfs/dbraw/zinc/23/35/71/1187233571.db2.gz BRTDFRIAUCLTMK-MRXNPFEDSA-N 0 3 396.513 0.964 20 0 GCADHN C[C@@H](C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1)n1cnc2c1ncnc2N ZINC000612057858 1187244366 /nfs/dbraw/zinc/24/43/66/1187244366.db2.gz TYCCHFASQCXCIK-MCIONIFRSA-N 0 3 375.477 0.975 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2ccccc2N)C[C@H](C)O1 ZINC000612056192 1187244582 /nfs/dbraw/zinc/24/45/82/1187244582.db2.gz GJWKHPRUNWUCPR-GASCZTMLSA-N 0 3 398.529 0.553 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000612045568 1187245468 /nfs/dbraw/zinc/24/54/68/1187245468.db2.gz VDHBALJYRNXBJB-MOPGFXCFSA-N 0 3 392.544 0.690 20 0 GCADHN Cc1nc([C@H]2CN(C(=O)C(=O)N3CCN(C4CCCCC4)CC3)CCO2)n[nH]1 ZINC000658129117 1187248505 /nfs/dbraw/zinc/24/85/05/1187248505.db2.gz JMKBMBODXJFHJH-MRXNPFEDSA-N 0 3 390.488 0.490 20 0 GCADHN O=C(C(=O)N1CCN(C2CCCC2)CC1)N1CCC(CN2CCOCC2)CC1 ZINC000658147886 1187249406 /nfs/dbraw/zinc/24/94/06/1187249406.db2.gz IDSSEJBQAIHHEA-UHFFFAOYSA-N 0 3 392.544 0.644 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cc2nccnc2cc1F ZINC000472357239 1187249764 /nfs/dbraw/zinc/24/97/64/1187249764.db2.gz YSCYTVWZBCVGHI-UHFFFAOYSA-N 0 3 375.448 0.889 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000472359896 1187260818 /nfs/dbraw/zinc/26/08/18/1187260818.db2.gz IDMWOUOTEJRVIM-ZIAGYGMSSA-N 0 3 376.423 0.636 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658262647 1187262322 /nfs/dbraw/zinc/26/23/22/1187262322.db2.gz UBLYKSPFSVATRF-CQSZACIVSA-N 0 3 376.457 0.739 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658264351 1187262498 /nfs/dbraw/zinc/26/24/98/1187262498.db2.gz QVCOCOBIRQITAI-CYBMUJFWSA-N 0 3 382.486 0.522 20 0 GCADHN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000658261816 1187263018 /nfs/dbraw/zinc/26/30/18/1187263018.db2.gz QRNLILRFMRAHSI-ZDUSSCGKSA-N 0 3 376.457 0.982 20 0 GCADHN CCn1c([C@H]2CCO[C@H]2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000647385182 1187264787 /nfs/dbraw/zinc/26/47/87/1187264787.db2.gz JELBOLDGVTUTNQ-HOTGVXAUSA-N 0 3 376.505 0.935 20 0 GCADHN CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635723004 1187275175 /nfs/dbraw/zinc/27/51/75/1187275175.db2.gz YJHVXRIUHSGNIF-HTOAHKCRSA-N 0 3 398.447 0.920 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4(N(C)C)CCC4)C[C@H]32)O1 ZINC000972854871 1187280456 /nfs/dbraw/zinc/28/04/56/1187280456.db2.gz IPOOKGJVASUGHG-QBPKDAKJSA-N 0 3 378.517 0.249 20 0 GCADHN O=C(NC/C=C/CO)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658413032 1187286046 /nfs/dbraw/zinc/28/60/46/1187286046.db2.gz ACQMOWIPTPTWGH-LAQIPUCWSA-N 0 3 383.452 0.933 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC/C=C/CO)cc1)[C@H]1CCCN(C)C1 ZINC000658413073 1187286065 /nfs/dbraw/zinc/28/60/65/1187286065.db2.gz AKYZCBLXCSTSFO-IDOMTICXSA-N 0 3 388.468 0.456 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCN1C[C@H](C)OC[C@H]1C ZINC000658424702 1187295013 /nfs/dbraw/zinc/29/50/13/1187295013.db2.gz PRQHERGVVHVKLA-CABCVRRESA-N 0 3 392.500 0.921 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCN1C[C@@H](C)OC[C@@H]1C ZINC000658424707 1187295507 /nfs/dbraw/zinc/29/55/07/1187295507.db2.gz PRQHERGVVHVKLA-LSDHHAIUSA-N 0 3 392.500 0.921 20 0 GCADHN c1cc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2C[C@@H]2CCOC2)n[nH]1 ZINC000612157689 1187317439 /nfs/dbraw/zinc/31/74/39/1187317439.db2.gz MERHDONGHYGCRE-CVEARBPZSA-N 0 3 387.488 0.863 20 0 GCADHN c1cc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2C[C@H]2CCOC2)n[nH]1 ZINC000612157694 1187317621 /nfs/dbraw/zinc/31/76/21/1187317621.db2.gz MERHDONGHYGCRE-HZPDHXFCSA-N 0 3 387.488 0.863 20 0 GCADHN O=C(C(=O)N1CCN([C@H]2CCOC2)CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000658505415 1187319002 /nfs/dbraw/zinc/31/90/02/1187319002.db2.gz CCCLLCXNQBZRPB-ROUUACIJSA-N 0 3 378.517 0.396 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)o1 ZINC000658504394 1187319808 /nfs/dbraw/zinc/31/98/08/1187319808.db2.gz MMRIRDZDKVXZII-QGZVFWFLSA-N 0 3 392.500 0.411 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000658504354 1187319906 /nfs/dbraw/zinc/31/99/06/1187319906.db2.gz MEDMWNZNUVLGLC-QGZVFWFLSA-N 0 3 381.448 0.590 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000658530001 1187326462 /nfs/dbraw/zinc/32/64/62/1187326462.db2.gz VUVOWGPJQNVWSZ-HNNXBMFYSA-N 0 3 399.438 0.729 20 0 GCADHN O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CCN([C@H]2CCOC2)CC1 ZINC000658524083 1187329801 /nfs/dbraw/zinc/32/98/01/1187329801.db2.gz RFVTYDFOZCVMJC-SFHVURJKSA-N 0 3 378.517 0.396 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cn(C3CCOCC3)nn2)CC1 ZINC000685710264 1187330253 /nfs/dbraw/zinc/33/02/53/1187330253.db2.gz SAOUXKQJUKNWFV-UHFFFAOYSA-N 0 3 378.477 0.256 20 0 GCADHN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)C2)nc1 ZINC000658541017 1187333732 /nfs/dbraw/zinc/33/37/32/1187333732.db2.gz UEQYIZCMNLRNMK-IKGGRYGDSA-N 0 3 399.495 0.730 20 0 GCADHN CC(C)n1[nH]cnc1=NC(=O)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000658581204 1187357367 /nfs/dbraw/zinc/35/73/67/1187357367.db2.gz PWFXFCLGLCLMEZ-QGZVFWFLSA-N 0 3 384.484 0.995 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC000612177797 1187358197 /nfs/dbraw/zinc/35/81/97/1187358197.db2.gz MLNILRLFTGKKJY-HUUCEWRRSA-N 0 3 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1187520693 /nfs/dbraw/zinc/52/06/93/1187520693.db2.gz QKQBRUWJCNBKIF-SFHVURJKSA-N 0 3 388.512 0.940 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000612553457 1187521107 /nfs/dbraw/zinc/52/11/07/1187521107.db2.gz WATPVXOTQXMBRQ-QGZVFWFLSA-N 0 3 390.459 0.711 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCCN(Cc3cscn3)CC2)C1 ZINC000612553011 1187525311 /nfs/dbraw/zinc/52/53/11/1187525311.db2.gz YOOALVYVYORXJH-OAHLLOKOSA-N 0 3 379.530 0.778 20 0 GCADHN CCNC(=O)NC(=O)CN(CCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C(C)C ZINC001267504959 1187527966 /nfs/dbraw/zinc/52/79/66/1187527966.db2.gz DIBKBWADNWMMPG-YQQAZPJKSA-N 0 3 382.505 0.864 20 0 GCADHN COCCO[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000612595173 1187535397 /nfs/dbraw/zinc/53/53/97/1187535397.db2.gz JYBZDZHIWNYDMF-IRXDYDNUSA-N 0 3 383.489 0.010 20 0 GCADHN CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612595627 1187535552 /nfs/dbraw/zinc/53/55/52/1187535552.db2.gz ZCSFAYPTBMJLQS-YLJYHZDGSA-N 0 3 381.517 0.756 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000612595325 1187535574 /nfs/dbraw/zinc/53/55/74/1187535574.db2.gz GQZKTYALYMDYEK-MOPGFXCFSA-N 0 3 387.480 0.956 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCOc2cccc(F)c2C1 ZINC000612595203 1187535610 /nfs/dbraw/zinc/53/56/10/1187535610.db2.gz KCIMIFITZQSMJR-HNNXBMFYSA-N 0 3 391.443 0.916 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000612595149 1187535936 /nfs/dbraw/zinc/53/59/36/1187535936.db2.gz STYIUPAIWNDHKV-FUHWJXTLSA-N 0 3 388.468 0.431 20 0 GCADHN CC1(C)CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@@]2(CCOC2)O1 ZINC000612595812 1187536366 /nfs/dbraw/zinc/53/63/66/1187536366.db2.gz PTHIUBDXCYQHAH-OXJNMPFZSA-N 0 3 395.500 0.152 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCc2ccccc2[C@H]1CO ZINC000612596612 1187536504 /nfs/dbraw/zinc/53/65/04/1187536504.db2.gz QHQDSPXMMJSIGT-PKOBYXMFSA-N 0 3 387.480 0.474 20 0 GCADHN COc1ccc2c(c1)CN(C(=O)C(=O)NC1CCN([C@@H]3CCOC3)CC1)CC2 ZINC000612604029 1187540141 /nfs/dbraw/zinc/54/01/41/1187540141.db2.gz OUPMKLORMPDDLN-GOSISDBHSA-N 0 3 387.480 0.949 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1)N1CCC[C@@H](C)C1 ZINC000612614345 1187541687 /nfs/dbraw/zinc/54/16/87/1187541687.db2.gz OOJWFTBCOJDRMQ-OAGGEKHMSA-N 0 3 380.533 0.986 20 0 GCADHN CC(C)(C)N1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1=O ZINC000612613662 1187541696 /nfs/dbraw/zinc/54/16/96/1187541696.db2.gz TXAPDVFXIXEXNL-HZPDHXFCSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H]1CCC[C@@H](CNC(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@H]1C ZINC000570234289 1187551368 /nfs/dbraw/zinc/55/13/68/1187551368.db2.gz PWNFDGKXYBAMTD-QYZOEREBSA-N 0 3 396.576 0.681 20 0 GCADHN O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1O)c1ccc2cncn2c1 ZINC001024649779 1187558344 /nfs/dbraw/zinc/55/83/44/1187558344.db2.gz DJOQYENPAGHHQF-MUIFIZLQSA-N 0 3 380.408 0.163 20 0 GCADHN O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1O)c1ccc2cncn2c1 ZINC001024649779 1187558349 /nfs/dbraw/zinc/55/83/49/1187558349.db2.gz DJOQYENPAGHHQF-MUIFIZLQSA-N 0 3 380.408 0.163 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000376045786 1187561240 /nfs/dbraw/zinc/56/12/40/1187561240.db2.gz XTVGQASRKQEWGB-QGZVFWFLSA-N 0 3 377.537 0.668 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000376045779 1187561380 /nfs/dbraw/zinc/56/13/80/1187561380.db2.gz XTVGQASRKQEWGB-KRWDZBQOSA-N 0 3 377.537 0.668 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)OC)CC1 ZINC000612715687 1187561963 /nfs/dbraw/zinc/56/19/63/1187561963.db2.gz YNZLPJOHCWXBNX-CYBMUJFWSA-N 0 3 393.488 0.438 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)CO)CC1 ZINC000658824162 1187567635 /nfs/dbraw/zinc/56/76/35/1187567635.db2.gz WMGTUPIAHHBYIG-IAGOWNOFSA-N 0 3 396.532 0.009 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000376053039 1187569160 /nfs/dbraw/zinc/56/91/60/1187569160.db2.gz CVCYWRWMZJDIKU-MRXNPFEDSA-N 0 3 382.486 0.482 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)C1 ZINC000413904689 1187577186 /nfs/dbraw/zinc/57/71/86/1187577186.db2.gz PWCVMCAADBUMGE-HKUYNNGSSA-N 0 3 389.496 0.748 20 0 GCADHN Cn1cc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CC2CC2)cn1 ZINC000612849044 1187602896 /nfs/dbraw/zinc/60/28/96/1187602896.db2.gz LDOYQWIUGDGUAZ-UHFFFAOYSA-N 0 3 398.515 0.833 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000685830394 1187636863 /nfs/dbraw/zinc/63/68/63/1187636863.db2.gz NXDDIVCKDSFXET-MRXNPFEDSA-N 0 3 379.505 0.398 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000431719934 1187640139 /nfs/dbraw/zinc/64/01/39/1187640139.db2.gz TUBSPKUMVPRPKG-GUYCJALGSA-N 0 3 387.484 0.764 20 0 GCADHN CC(C)OC1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000658851640 1187648783 /nfs/dbraw/zinc/64/87/83/1187648783.db2.gz PQAYBVLLCLKDBR-UHFFFAOYSA-N 0 3 394.516 0.169 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000685844758 1187662886 /nfs/dbraw/zinc/66/28/86/1187662886.db2.gz QVJRBAUIEWHLIE-UHFFFAOYSA-N 0 3 396.557 0.724 20 0 GCADHN CCC[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)S(N)(=O)=O ZINC000613089859 1187663381 /nfs/dbraw/zinc/66/33/81/1187663381.db2.gz YSAYUBYIQBUHND-YESZJQIVSA-N 0 3 383.514 0.443 20 0 GCADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)CCC1 ZINC001024906937 1187678897 /nfs/dbraw/zinc/67/88/97/1187678897.db2.gz CBKJTRZMZSIESG-YLFCFFPRSA-N 0 3 379.501 0.221 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc(Cl)cn3)CC1)C2=O ZINC000066371717 1187679141 /nfs/dbraw/zinc/67/91/41/1187679141.db2.gz OEEREMNWXPDLRY-UHFFFAOYSA-N 0 3 392.891 0.831 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)c1cncn1C)C(=O)c1cncn1C ZINC000685854820 1187681537 /nfs/dbraw/zinc/68/15/37/1187681537.db2.gz PBROTSNIUHOGAL-UHFFFAOYSA-N 0 3 387.488 0.464 20 0 GCADHN O=C(C(=O)N1CC[C@@H](N2CCCC2)C1)N(CCN1CCOCC1)CC1CC1 ZINC000658883640 1187710897 /nfs/dbraw/zinc/71/08/97/1187710897.db2.gz RTWBEJNAIDBRGL-GOSISDBHSA-N 0 3 378.517 0.254 20 0 GCADHN C[C@H]1C[C@H](O)CN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000472533983 1187713811 /nfs/dbraw/zinc/71/38/11/1187713811.db2.gz GELHRTXOYDTSJE-GUYCJALGSA-N 0 3 388.468 0.304 20 0 GCADHN CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001746817011 1187731946 /nfs/dbraw/zinc/73/19/46/1187731946.db2.gz HWMPIXJLIZYHQY-MWDXBVQZSA-N 0 3 381.517 0.779 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000636337105 1187739068 /nfs/dbraw/zinc/73/90/68/1187739068.db2.gz MWGKVQIZKNBCJS-ZBFHGGJFSA-N 0 3 395.525 0.720 20 0 GCADHN COCCOc1ccccc1NC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000148680491 1187743443 /nfs/dbraw/zinc/74/34/43/1187743443.db2.gz XIIYEKSAWHSTID-UHFFFAOYSA-N 0 3 379.457 0.877 20 0 GCADHN COC(=O)c1cn(C2CCN(C(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)CC2)nn1 ZINC000376294435 1187752090 /nfs/dbraw/zinc/75/20/90/1187752090.db2.gz BCTDIIIZOXPUHL-WFASDCNBSA-N 0 3 376.461 0.894 20 0 GCADHN CS(=O)(=O)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000892552866 1187757790 /nfs/dbraw/zinc/75/77/90/1187757790.db2.gz FHRHETYRTGDJOU-QZTJIDSGSA-N 0 3 395.525 0.972 20 0 GCADHN COCCn1c(C)c(C)nc1S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C ZINC000414212816 1187766407 /nfs/dbraw/zinc/76/64/07/1187766407.db2.gz SSIPWQAAYJDVHA-LBPRGKRZSA-N 0 3 388.490 0.933 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000174835711 1187766906 /nfs/dbraw/zinc/76/69/06/1187766906.db2.gz ZVUDNPJVZVEKLV-UHFFFAOYSA-N 0 3 383.452 0.873 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2c(F)cc(F)cc2F)CC1 ZINC000174835697 1187767136 /nfs/dbraw/zinc/76/71/36/1187767136.db2.gz BVWIFSYJOPYMQY-UHFFFAOYSA-N 0 3 398.385 0.809 20 0 GCADHN Cn1ccc2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc21 ZINC000174835683 1187767158 /nfs/dbraw/zinc/76/71/58/1187767158.db2.gz MVZIQHQTDDKSOC-UHFFFAOYSA-N 0 3 397.479 0.883 20 0 GCADHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCCCC2)n1C1CC1 ZINC000414217354 1187767512 /nfs/dbraw/zinc/76/75/12/1187767512.db2.gz BFKOOIXNIWNVSZ-LLVKDONJSA-N 0 3 398.489 0.611 20 0 GCADHN COC(=O)c1cccnc1S(=O)(=O)C(C)C(=O)NC(=O)NCC(F)(F)F ZINC000414223205 1187773785 /nfs/dbraw/zinc/77/37/85/1187773785.db2.gz PMQFOXGFXQPIAN-ZETCQYMHSA-N 0 3 397.331 0.419 20 0 GCADHN C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)CN1CCOCC1 ZINC000376362970 1187791990 /nfs/dbraw/zinc/79/19/90/1187791990.db2.gz FTAYOLXITRGMSF-CSNJMZFVSA-N 0 3 395.548 0.338 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000658930538 1187795492 /nfs/dbraw/zinc/79/54/92/1187795492.db2.gz HJPCCNQSUCXYPK-DLBZAZTESA-N 0 3 376.501 0.544 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cnc(CC(C)C)nc2)CC1 ZINC000472571303 1187800781 /nfs/dbraw/zinc/80/07/81/1187800781.db2.gz PFDHYKKGOLIJMP-UHFFFAOYSA-N 0 3 376.505 0.757 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000376398948 1187812964 /nfs/dbraw/zinc/81/29/64/1187812964.db2.gz WQLXLCKBSWYMPL-FQEVSTJZSA-N 0 3 384.484 0.618 20 0 GCADHN Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1O ZINC001025061290 1187814268 /nfs/dbraw/zinc/81/42/68/1187814268.db2.gz YVHGXBRRVGURFE-KCYZZUKISA-N 0 3 389.500 0.086 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000658987286 1187831216 /nfs/dbraw/zinc/83/12/16/1187831216.db2.gz VVCVPELKYSDRRK-BVRUVYRISA-N 0 3 393.528 0.564 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1 ZINC000658985644 1187832118 /nfs/dbraw/zinc/83/21/18/1187832118.db2.gz HSRKXSHAJYIKLX-UHFFFAOYSA-N 0 3 386.412 0.435 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)o1 ZINC000162501946 1187848227 /nfs/dbraw/zinc/84/82/27/1187848227.db2.gz IFLUEPLRLGORSY-OAHLLOKOSA-N 0 3 384.502 0.268 20 0 GCADHN O=C(Nc1ccc([C@@H]2CNCCO2)cc1)NC1CCC2(CC1)NC(=O)NC2=O ZINC000659048186 1187850450 /nfs/dbraw/zinc/85/04/50/1187850450.db2.gz XTFPIDPUGGBFQL-HVEKOLDVSA-N 0 3 387.440 0.990 20 0 GCADHN CC(C)c1ccnc(N2CCN(C(=O)C(=O)N(C)CCN3CCCC3)CC2)n1 ZINC000659080308 1187867210 /nfs/dbraw/zinc/86/72/10/1187867210.db2.gz SPOFTOFQWTUQOZ-UHFFFAOYSA-N 0 3 388.516 0.803 20 0 GCADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659079915 1187869477 /nfs/dbraw/zinc/86/94/77/1187869477.db2.gz OYRVDFQWTCOHKE-SJORKVTESA-N 0 3 388.468 0.803 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1OC ZINC000659093524 1187874068 /nfs/dbraw/zinc/87/40/68/1187874068.db2.gz VYNJTUNYFBVZQV-UHFFFAOYSA-N 0 3 386.474 0.591 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1ccc(CCO)cc1 ZINC000892649058 1187877987 /nfs/dbraw/zinc/87/79/87/1187877987.db2.gz NXNDIAJXDOBRDA-GOSISDBHSA-N 0 3 376.501 0.963 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCOC12CCOCC2 ZINC000892649418 1187879144 /nfs/dbraw/zinc/87/91/44/1187879144.db2.gz PAASMTXRYXALFT-CVEARBPZSA-N 0 3 382.505 0.566 20 0 GCADHN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)[C@@H]2C1 ZINC000892650741 1187880606 /nfs/dbraw/zinc/88/06/06/1187880606.db2.gz QDHJQZOCPOEVDE-BPKGMFCQSA-N 0 3 394.516 0.816 20 0 GCADHN CCCOc1cc(F)ccc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659110815 1187886590 /nfs/dbraw/zinc/88/65/90/1187886590.db2.gz VEPDVLPAVVUBFJ-UHFFFAOYSA-N 0 3 377.376 0.824 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccccc2OCC(F)F)n1 ZINC000659110616 1187886875 /nfs/dbraw/zinc/88/68/75/1187886875.db2.gz NSHGDEZRSYDADU-UHFFFAOYSA-N 0 3 381.339 0.540 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000659111903 1187888624 /nfs/dbraw/zinc/88/86/24/1187888624.db2.gz CVEYNYZFCAUDOY-GUDVDZBRSA-N 0 3 398.507 0.989 20 0 GCADHN O=C(CCN1CCN([C@H]2CCC[C@@H]2O)CC1)N1CCN(c2ccccn2)CC1 ZINC000376495582 1187890080 /nfs/dbraw/zinc/89/00/80/1187890080.db2.gz PGGDDOVHOPGODV-OALUTQOASA-N 0 3 387.528 0.651 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1Cl ZINC000659113915 1187890454 /nfs/dbraw/zinc/89/04/54/1187890454.db2.gz ZDJOTZBGGNWKPX-UHFFFAOYSA-N 0 3 395.803 0.566 20 0 GCADHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659113133 1187890930 /nfs/dbraw/zinc/89/09/30/1187890930.db2.gz UIYLJVJKFQRUQD-UHFFFAOYSA-N 0 3 379.804 0.866 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C2CCC2)CC1 ZINC000659168882 1187906435 /nfs/dbraw/zinc/90/64/35/1187906435.db2.gz IHQWKYXEKZKTRF-IRXDYDNUSA-N 0 3 376.501 0.543 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C2CCC2)CC1 ZINC000659171951 1187906870 /nfs/dbraw/zinc/90/68/70/1187906870.db2.gz LVTWMKOLORWXHD-QGZVFWFLSA-N 0 3 376.501 0.544 20 0 GCADHN CN(C)Cc1ccccc1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000031232185 1187931312 /nfs/dbraw/zinc/93/13/12/1187931312.db2.gz XZWNMYVBCYBITH-UHFFFAOYSA-N 0 3 384.440 0.524 20 0 GCADHN Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccccc2)N(C)C)cn1C ZINC000511514387 1187941926 /nfs/dbraw/zinc/94/19/26/1187941926.db2.gz RIVSZOHGCRRIIO-INIZCTEOSA-N 0 3 393.513 0.816 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H](c3ccco3)C2)CC1 ZINC000659324693 1187943903 /nfs/dbraw/zinc/94/39/03/1187943903.db2.gz MOGBWBLRMZRURD-INIZCTEOSA-N 0 3 388.468 0.362 20 0 GCADHN Cn1cc([C@@H]2[C@@H](CNC(=O)CNC[C@H]3CCCO3)CC(=O)N2C(C)(C)C)cn1 ZINC000659343465 1187945132 /nfs/dbraw/zinc/94/51/32/1187945132.db2.gz PMKNKRZAZWEIBP-OGWOLHLISA-N 0 3 391.516 0.993 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)N2CCOCC2)o1 ZINC000659428737 1187956368 /nfs/dbraw/zinc/95/63/68/1187956368.db2.gz ACWNNYNRTKNRQW-CQSZACIVSA-N 0 3 390.444 0.415 20 0 GCADHN Cc1nccnc1N1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000376589770 1187956482 /nfs/dbraw/zinc/95/64/82/1187956482.db2.gz JXCGTJNKCOPLSW-MRXNPFEDSA-N 0 3 375.521 0.643 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2nnc3ccc(C(F)(F)F)cn32)n1 ZINC000659429178 1187956631 /nfs/dbraw/zinc/95/66/31/1187956631.db2.gz KMRTZMDDDUDJDW-UHFFFAOYSA-N 0 3 396.333 0.702 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)n1 ZINC000659434290 1187957060 /nfs/dbraw/zinc/95/70/60/1187957060.db2.gz IVJNJFQUVMIKET-INIZCTEOSA-N 0 3 386.456 0.514 20 0 GCADHN C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCN(c2ccccc2)CC1 ZINC000659434016 1187957235 /nfs/dbraw/zinc/95/72/35/1187957235.db2.gz FCIBYINLISZUJU-OAHLLOKOSA-N 0 3 399.499 0.651 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCCN2C(=O)c3ccccc3C2=O)n1 ZINC000659452878 1187960908 /nfs/dbraw/zinc/96/09/08/1187960908.db2.gz FQERVKFQARRCOM-UHFFFAOYSA-N 0 3 398.423 0.517 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)n1 ZINC000659461285 1187961510 /nfs/dbraw/zinc/96/15/10/1187961510.db2.gz GUJOJNGTVLPAQY-OAGGEKHMSA-N 0 3 396.451 0.597 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2cc3c(cc2OC(F)F)OCO3)n1 ZINC000659466145 1187962490 /nfs/dbraw/zinc/96/24/90/1187962490.db2.gz DYNWNHYNFDSALA-UHFFFAOYSA-N 0 3 397.338 0.970 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccnn2Cc2ccc(C)o2)CC1 ZINC000178816521 1187968037 /nfs/dbraw/zinc/96/80/37/1187968037.db2.gz VSELELUQSIWDLX-UHFFFAOYSA-N 0 3 389.456 0.998 20 0 GCADHN Cc1noc(C)c1CNCC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104673197 1187975342 /nfs/dbraw/zinc/97/53/42/1187975342.db2.gz USBQNQXZBFAHJJ-QQDQCYIDSA-N 0 3 378.473 0.899 20 0 GCADHN COc1cccc(CNCC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)n1 ZINC001104671947 1187975932 /nfs/dbraw/zinc/97/59/32/1187975932.db2.gz BRXUAIZRMVCHLB-TXCZRRACSA-N 0 3 390.484 0.697 20 0 GCADHN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)n2)c1 ZINC000659629562 1187977627 /nfs/dbraw/zinc/97/76/27/1187977627.db2.gz GVTSQSMVYINUFP-SNVBAGLBSA-N 0 3 383.416 0.690 20 0 GCADHN NC(=O)[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Cc1ccccc1Cl ZINC000659631355 1187978292 /nfs/dbraw/zinc/97/82/92/1187978292.db2.gz DDEMZSJZKRTRTF-LLVKDONJSA-N 0 3 392.847 0.438 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)n1 ZINC000659631180 1187978385 /nfs/dbraw/zinc/97/83/85/1187978385.db2.gz AVTDYQLNCNOFNP-JTQLQIEISA-N 0 3 383.355 0.158 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)n1 ZINC000659629980 1187978721 /nfs/dbraw/zinc/97/87/21/1187978721.db2.gz KBECDNJMOPQXHC-SNVBAGLBSA-N 0 3 399.373 0.709 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000659632791 1187979010 /nfs/dbraw/zinc/97/90/10/1187979010.db2.gz GYIKLYUUWNVISZ-UHFFFAOYSA-N 0 3 388.403 0.448 20 0 GCADHN Cc1csc(NC(=O)CNCC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)n1 ZINC001104686783 1187984422 /nfs/dbraw/zinc/98/44/22/1187984422.db2.gz PKQXMCSWFAHHCH-ZRJCITRHSA-N 0 3 393.513 0.586 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNCC(=O)Nc1ccc(O)cc1 ZINC001104682874 1187985396 /nfs/dbraw/zinc/98/53/96/1187985396.db2.gz CFOJGAOXJBSVOJ-KFZJALRRSA-N 0 3 388.468 0.526 20 0 GCADHN COc1ccc(CNCC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2C)nn1 ZINC001104691184 1187992090 /nfs/dbraw/zinc/99/20/90/1187992090.db2.gz SWDBQIBEXVGBIK-SRABZTEZSA-N 0 3 389.500 0.784 20 0 GCADHN C[C@H](OCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659680490 1187993354 /nfs/dbraw/zinc/99/33/54/1187993354.db2.gz HJNAOMNRXURNRX-ZDUSSCGKSA-N 0 3 387.440 0.541 20 0 GCADHN CCC(CC)[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCO1 ZINC000659676149 1187994393 /nfs/dbraw/zinc/99/43/93/1187994393.db2.gz FEFNMUIOJUNGGD-GXTWGEPZSA-N 0 3 379.461 0.357 20 0 GCADHN CCC(CC)[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCO1 ZINC000659676152 1187994930 /nfs/dbraw/zinc/99/49/30/1187994930.db2.gz FEFNMUIOJUNGGD-TZMCWYRMSA-N 0 3 379.461 0.357 20 0 GCADHN COc1ccc(C[C@H](C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659687983 1187998353 /nfs/dbraw/zinc/99/83/53/1187998353.db2.gz QTRCXJNXYSTFIY-LBPRGKRZSA-N 0 3 387.440 0.261 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCCCCc2ccc(F)cc2)n1 ZINC000659700357 1188004189 /nfs/dbraw/zinc/00/41/89/1188004189.db2.gz IELNROAYOGPSAE-UHFFFAOYSA-N 0 3 389.431 0.925 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000659698785 1188004237 /nfs/dbraw/zinc/00/42/37/1188004237.db2.gz MDZHAHMTFVOPRI-JSGCOSHPSA-N 0 3 387.415 0.849 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000659698786 1188004447 /nfs/dbraw/zinc/00/44/47/1188004447.db2.gz MDZHAHMTFVOPRI-OCCSQVGLSA-N 0 3 387.415 0.849 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccccc2N2CCCCC2)n1 ZINC000659701758 1188005076 /nfs/dbraw/zinc/00/50/76/1188005076.db2.gz JKMHDZJHEVKFBJ-UHFFFAOYSA-N 0 3 398.467 0.564 20 0 GCADHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659703684 1188005756 /nfs/dbraw/zinc/00/57/56/1188005756.db2.gz DSOLNVCLGHDJCB-ZDUSSCGKSA-N 0 3 387.440 0.988 20 0 GCADHN Cc1cccc2[nH]cc(CCNC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)c21 ZINC000659704256 1188005824 /nfs/dbraw/zinc/00/58/24/1188005824.db2.gz LRJVPIDZICHBGW-UHFFFAOYSA-N 0 3 382.424 0.406 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccnc1N1CCCC1 ZINC000659717545 1188006493 /nfs/dbraw/zinc/00/64/93/1188006493.db2.gz IOVVKRWDRTXHGM-ZFWWWQNUSA-N 0 3 375.473 0.527 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc2c1OC(F)(F)O2 ZINC000659717872 1188007567 /nfs/dbraw/zinc/00/75/67/1188007567.db2.gz KUHYMAWFZSVINJ-GXSJLCMTSA-N 0 3 385.367 0.854 20 0 GCADHN CN(CCc1ccccn1)C(=O)CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892705348 1188007976 /nfs/dbraw/zinc/00/79/76/1188007976.db2.gz NSGRZSODCBQNHT-ROUUACIJSA-N 0 3 389.500 0.323 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCC2(c3ccccc3F)CCC2)n1 ZINC000659730080 1188013873 /nfs/dbraw/zinc/01/38/73/1188013873.db2.gz XQBLPDYWDAEXRQ-UHFFFAOYSA-N 0 3 387.415 0.634 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCc2nc(C(N)=O)cs2)cc1 ZINC000659740021 1188019035 /nfs/dbraw/zinc/01/90/35/1188019035.db2.gz CSYKWDRHGIJEBA-CYBMUJFWSA-N 0 3 389.481 0.798 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000278814742 1188025935 /nfs/dbraw/zinc/02/59/35/1188025935.db2.gz HWSYBEYEVIDWLE-AWEZNQCLSA-N 0 3 390.488 0.879 20 0 GCADHN Cc1csc2ncc(C(=O)NCC(=O)NCCN3CCCCC3)c(=O)n12 ZINC000909322525 1188028052 /nfs/dbraw/zinc/02/80/52/1188028052.db2.gz YWTLOGFABWMSMS-UHFFFAOYSA-N 0 3 377.470 0.396 20 0 GCADHN COc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc(OC)c1OCC(N)=O ZINC000377469608 1188028869 /nfs/dbraw/zinc/02/88/69/1188028869.db2.gz GHMMDTYDRQABHY-KGLIPLIRSA-N 0 3 393.440 0.161 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000377477263 1188030210 /nfs/dbraw/zinc/03/02/10/1188030210.db2.gz SUXQQYKQJDEOED-HNNXBMFYSA-N 0 3 380.489 0.810 20 0 GCADHN CCCC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000152946675 1188032174 /nfs/dbraw/zinc/03/21/74/1188032174.db2.gz FCJLUZUEZPEYAE-DLBZAZTESA-N 0 3 378.517 0.790 20 0 GCADHN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCNC[C@H]2C)c1 ZINC000415340418 1188049175 /nfs/dbraw/zinc/04/91/75/1188049175.db2.gz MJVBTLRHWMKRFE-CQSZACIVSA-N 0 3 375.473 0.726 20 0 GCADHN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)NC[C@H]1CNCCO1 ZINC000415337342 1188054635 /nfs/dbraw/zinc/05/46/35/1188054635.db2.gz UGPVUAKPYUKXRL-SNVBAGLBSA-N 0 3 384.458 0.703 20 0 GCADHN CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cc2S1(=O)=O ZINC000377511654 1188059888 /nfs/dbraw/zinc/05/98/88/1188059888.db2.gz KLHKANSWVKPTSQ-UONOGXRCSA-N 0 3 393.465 0.444 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCC2)CC1 ZINC000377570862 1188076685 /nfs/dbraw/zinc/07/66/85/1188076685.db2.gz YVWPNLYXLUMBFQ-MRXNPFEDSA-N 0 3 396.557 0.701 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2NCCc3ccccc32)nc1 ZINC000415518125 1188096870 /nfs/dbraw/zinc/09/68/70/1188096870.db2.gz LUXQESUJZRJVDO-HNNXBMFYSA-N 0 3 375.454 0.998 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)NC[C@H]2NCCc3ccccc32)nc1 ZINC000415518126 1188097024 /nfs/dbraw/zinc/09/70/24/1188097024.db2.gz LUXQESUJZRJVDO-OAHLLOKOSA-N 0 3 375.454 0.998 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000415518360 1188097105 /nfs/dbraw/zinc/09/71/05/1188097105.db2.gz IURQCZGPTMUMEH-NEPJUHHUSA-N 0 3 398.485 0.591 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000377723670 1188117094 /nfs/dbraw/zinc/11/70/94/1188117094.db2.gz HJVIEEKCZRZYMM-GJZGRUSLSA-N 0 3 375.425 0.700 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000377769208 1188133099 /nfs/dbraw/zinc/13/30/99/1188133099.db2.gz AWRUSBWLVKMLPB-HZPDHXFCSA-N 0 3 381.498 0.561 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000377775806 1188134445 /nfs/dbraw/zinc/13/44/45/1188134445.db2.gz DPBDNINGSFUYBE-ZIAGYGMSSA-N 0 3 388.403 0.324 20 0 GCADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000377783168 1188136719 /nfs/dbraw/zinc/13/67/19/1188136719.db2.gz OEKCNPIOVCBECC-HOTGVXAUSA-N 0 3 389.456 0.746 20 0 GCADHN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377789661 1188138379 /nfs/dbraw/zinc/13/83/79/1188138379.db2.gz ZKCJYIPEFQCIEN-LSDHHAIUSA-N 0 3 377.489 0.927 20 0 GCADHN COC(=O)N1CCC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000728715087 1188144976 /nfs/dbraw/zinc/14/49/76/1188144976.db2.gz GVOGTSJMFKYDLB-OAHLLOKOSA-N 0 3 381.477 0.167 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NCc3nnnn3CC3CC3)cc2)CC1 ZINC000472869624 1188145903 /nfs/dbraw/zinc/14/59/03/1188145903.db2.gz CMYAAIFUQPNTRK-UHFFFAOYSA-N 0 3 398.515 0.830 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCc2nc(-c3cccc(F)c3)no2)CC1=O ZINC000278820231 1188147026 /nfs/dbraw/zinc/14/70/26/1188147026.db2.gz BTNXASRDFVGKMD-CYBMUJFWSA-N 0 3 375.404 0.902 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCS(=O)(=O)N3)CC2)c1 ZINC000651092837 1188147281 /nfs/dbraw/zinc/14/72/81/1188147281.db2.gz AXDOHWGSIJLZMI-SFHVURJKSA-N 0 3 394.541 0.705 20 0 GCADHN Cn1c2ccc(NC(=O)C(=O)NC[C@@H]3NCCc4ccccc43)cc2n(C)c1=O ZINC000415712346 1188147326 /nfs/dbraw/zinc/14/73/26/1188147326.db2.gz QVWWURDATCXGGP-INIZCTEOSA-N 0 3 393.447 0.819 20 0 GCADHN CCN(CCO)C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000377905925 1189369056 /nfs/dbraw/zinc/36/90/56/1189369056.db2.gz IEVNLPRVXOZFJV-QGZVFWFLSA-N 0 3 390.484 0.632 20 0 GCADHN COC(=O)[C@H](CC(C)C)NC(=O)CN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000377917350 1189370804 /nfs/dbraw/zinc/37/08/04/1189370804.db2.gz SWIAOGXUYVOZFU-MSOLQXFVSA-N 0 3 382.549 0.791 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000377926868 1189374877 /nfs/dbraw/zinc/37/48/77/1189374877.db2.gz UUTVGMZRCMQDSJ-HNNXBMFYSA-N 0 3 384.502 0.904 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000472907692 1189375472 /nfs/dbraw/zinc/37/54/72/1189375472.db2.gz RGHFFMSQXNKUTQ-CQSZACIVSA-N 0 3 383.518 0.159 20 0 GCADHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1nn(CCCOC)cc1C ZINC000415847207 1189379967 /nfs/dbraw/zinc/37/99/67/1189379967.db2.gz UFAPESSYSPIGCT-QGZVFWFLSA-N 0 3 387.484 1.545 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000377951972 1189385308 /nfs/dbraw/zinc/38/53/08/1189385308.db2.gz JATKZJJUWXNOLU-CYBMUJFWSA-N 0 3 390.440 0.525 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000415857028 1189386234 /nfs/dbraw/zinc/38/62/34/1189386234.db2.gz BUAIVSASYNSLST-CQSZACIVSA-N 0 3 397.357 0.934 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CNCCO2)n(-c2ccc(Cl)cc2)n1 ZINC000415866679 1189388293 /nfs/dbraw/zinc/38/82/93/1189388293.db2.gz OJGNROOWKIKRBX-AWEZNQCLSA-N 0 3 377.832 0.877 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC000415867403 1189389394 /nfs/dbraw/zinc/38/93/94/1189389394.db2.gz PAHNTICTGKVZLJ-QGZVFWFLSA-N 0 3 384.436 0.746 20 0 GCADHN Cn1ccnc1Sc1ccc(NC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000415868681 1189389784 /nfs/dbraw/zinc/38/97/84/1189389784.db2.gz QLTGIBLMXJYPKJ-CYBMUJFWSA-N 0 3 375.454 0.614 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000415873592 1189391436 /nfs/dbraw/zinc/39/14/36/1189391436.db2.gz YSAAWLAMOODYMC-ZDUSSCGKSA-N 0 3 397.357 0.934 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000415872781 1189393843 /nfs/dbraw/zinc/39/38/43/1189393843.db2.gz XIYSDWHTIWEOBW-GFCCVEGCSA-N 0 3 397.357 0.934 20 0 GCADHN CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCOC3(CNC3)C2)c(C)c1 ZINC000415885617 1189398266 /nfs/dbraw/zinc/39/82/66/1189398266.db2.gz FUASTUQROVNMJC-AWEZNQCLSA-N 0 3 388.468 0.663 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000472925888 1189402340 /nfs/dbraw/zinc/40/23/40/1189402340.db2.gz MQHYPAYZGVMIHJ-QZTJIDSGSA-N 0 3 396.580 0.254 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000472927329 1189402976 /nfs/dbraw/zinc/40/29/76/1189402976.db2.gz XHCTUWAFHFZOKU-DLBZAZTESA-N 0 3 394.564 0.007 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000590316649 1189407948 /nfs/dbraw/zinc/40/79/48/1189407948.db2.gz QDSITYUCSRNPJG-QGZVFWFLSA-N 0 3 389.500 0.923 20 0 GCADHN CCN1C(=O)[C@@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)CCN2C1=O ZINC000378038102 1189409677 /nfs/dbraw/zinc/40/96/77/1189409677.db2.gz OFSDATQKIJWPNW-HNNXBMFYSA-N 0 3 378.473 0.516 20 0 GCADHN COCCO[C@@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000511536986 1189417399 /nfs/dbraw/zinc/41/73/99/1189417399.db2.gz FVWOSSVLPLHFKK-IAGOWNOFSA-N 0 3 384.521 0.766 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000651302639 1189421748 /nfs/dbraw/zinc/42/17/48/1189421748.db2.gz JIDPVHGDAYQITM-KRWDZBQOSA-N 0 3 380.464 0.012 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000378168682 1189433097 /nfs/dbraw/zinc/43/30/97/1189433097.db2.gz MAOOLEZBRVMUAO-CVEARBPZSA-N 0 3 388.534 0.307 20 0 GCADHN CN(C)c1nc2cc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)ccc2o1 ZINC000378186041 1189438413 /nfs/dbraw/zinc/43/84/13/1189438413.db2.gz ULHVKRWPSPDULR-KGLIPLIRSA-N 0 3 387.440 0.812 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCCn3cncn3)c(C)c2)CC1 ZINC000041416581 1189440063 /nfs/dbraw/zinc/44/00/63/1189440063.db2.gz YOLGYTLAGZUNFH-UHFFFAOYSA-N 0 3 399.499 0.873 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000378187011 1189440852 /nfs/dbraw/zinc/44/08/52/1189440852.db2.gz YJMZDWZBGMEVNM-MRXNPFEDSA-N 0 3 388.468 0.635 20 0 GCADHN O=c1[nH]c2ccc(S(=O)(=O)N[C@H]3CCN(C4CCCC4)C3)cc2c(=O)[nH]1 ZINC000106891516 1189445180 /nfs/dbraw/zinc/44/51/80/1189445180.db2.gz HKOBTSDGTHHLAX-NSHDSACASA-N 0 3 378.454 0.512 20 0 GCADHN COCCN1C(=O)N[C@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)CC[C@H]21 ZINC000567140511 1189449019 /nfs/dbraw/zinc/44/90/19/1189449019.db2.gz KUWWRTLLZOAYTP-DLBZAZTESA-N 0 3 394.516 0.663 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(C(=O)NC)c2)CC1 ZINC000041641231 1189455419 /nfs/dbraw/zinc/45/54/19/1189455419.db2.gz FYDDJJXELOZBLC-AWEZNQCLSA-N 0 3 375.473 0.127 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000041640522 1189455562 /nfs/dbraw/zinc/45/55/62/1189455562.db2.gz ZJNMBMKTOFOCRP-AWEZNQCLSA-N 0 3 378.473 0.785 20 0 GCADHN COC(=O)[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)Cc1ccccc1OC ZINC000378309485 1189471924 /nfs/dbraw/zinc/47/19/24/1189471924.db2.gz NUSXBJANKMOZKO-DLBZAZTESA-N 0 3 375.469 0.533 20 0 GCADHN O=C(c1c(F)cccc1F)N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000378316728 1189475196 /nfs/dbraw/zinc/47/51/96/1189475196.db2.gz KNHYCRDFTAQLOK-INIZCTEOSA-N 0 3 378.423 0.639 20 0 GCADHN CC(=O)N1Cc2ccc(S(=O)(=O)NCCN3CCN(C)C(C)(C)C3)cc2C1 ZINC000659962392 1189489834 /nfs/dbraw/zinc/48/98/34/1189489834.db2.gz WXSMTOKQWVCTSX-UHFFFAOYSA-N 0 3 394.541 0.853 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000659964432 1189490640 /nfs/dbraw/zinc/49/06/40/1189490640.db2.gz PWGCMYAKATYHMG-MOPGFXCFSA-N 0 3 386.496 0.262 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)C1 ZINC000659964433 1189491220 /nfs/dbraw/zinc/49/12/20/1189491220.db2.gz PWGCMYAKATYHMG-OALUTQOASA-N 0 3 386.496 0.262 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC(O)(CN2CCOCC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000378409563 1189499098 /nfs/dbraw/zinc/49/90/98/1189499098.db2.gz MIFJLDRAONXBOA-OTWHNJEPSA-N 0 3 397.560 0.806 20 0 GCADHN C[C@H](CNC(=O)N1CCC(CN2CCNC2=O)CC1)CN1CCN(C)CC1 ZINC000893236135 1189505053 /nfs/dbraw/zinc/50/50/53/1189505053.db2.gz DURGNKFHRKJOOR-MRXNPFEDSA-N 0 3 380.537 0.317 20 0 GCADHN C[C@H](CNC(=O)NC[C@@]1(c2cnn(C)c2)CCCO1)CN1CCN(C)CC1 ZINC000893235995 1189505591 /nfs/dbraw/zinc/50/55/91/1189505591.db2.gz CPHLTUFTASHTAR-VQIMIIECSA-N 0 3 378.521 0.609 20 0 GCADHN COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000893236517 1189505788 /nfs/dbraw/zinc/50/57/88/1189505788.db2.gz HVJUFDLQHCXICP-GJZGRUSLSA-N 0 3 392.504 0.687 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000544109783 1189510233 /nfs/dbraw/zinc/51/02/33/1189510233.db2.gz JGGZBWKGDOWABY-QCPWZWHMSA-N 0 3 381.498 0.084 20 0 GCADHN COCCOc1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccn1 ZINC000378478158 1189516302 /nfs/dbraw/zinc/51/63/02/1189516302.db2.gz SGWIFHKWSAZKBW-MRXNPFEDSA-N 0 3 376.457 0.661 20 0 GCADHN C[C@@H](O)c1cn(C2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C2)nn1 ZINC000378534622 1189530432 /nfs/dbraw/zinc/53/04/32/1189530432.db2.gz DBLUIAZVUJZQMU-MRXNPFEDSA-N 0 3 384.484 0.927 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)S(=O)(=O)c1cnn2c1OCCC2 ZINC000416491582 1189531984 /nfs/dbraw/zinc/53/19/84/1189531984.db2.gz ZSOLYRGLLKYYOX-UHFFFAOYSA-N 0 3 385.534 0.704 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1csc(-c2cnccn2)n1 ZINC000533933057 1189548656 /nfs/dbraw/zinc/54/86/56/1189548656.db2.gz OACBHEDVXWATPI-UHFFFAOYSA-N 0 3 390.513 0.720 20 0 GCADHN COCC[C@@H](C)CCS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000416580489 1189557227 /nfs/dbraw/zinc/55/72/27/1189557227.db2.gz JCZLXMJZZUTLTN-QGZVFWFLSA-N 0 3 391.578 0.765 20 0 GCADHN COc1cncc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000416596728 1189559740 /nfs/dbraw/zinc/55/97/40/1189559740.db2.gz ZLSVADGSTTVTFA-UHFFFAOYSA-N 0 3 384.502 0.165 20 0 GCADHN CN(CCNCC(=O)N1CCCCCCC1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001481261909 1189570290 /nfs/dbraw/zinc/57/02/90/1189570290.db2.gz RSCIFVANNOHRDQ-JENIJYKNSA-N 0 3 381.517 0.879 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)CC1 ZINC000363930895 1189579271 /nfs/dbraw/zinc/57/92/71/1189579271.db2.gz DQWXBMZGQKPDCN-UZLBHIALSA-N 0 3 391.516 0.334 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)CC1 ZINC000363930892 1189579377 /nfs/dbraw/zinc/57/93/77/1189579377.db2.gz DQWXBMZGQKPDCN-OXJNMPFZSA-N 0 3 391.516 0.334 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)cn1C ZINC000330224795 1189583742 /nfs/dbraw/zinc/58/37/42/1189583742.db2.gz NVOZWXIFADSYDH-OAHLLOKOSA-N 0 3 381.502 0.188 20 0 GCADHN COc1ccc([C@@H](CNC(=O)NC[C@H]2CNCCO2)N2CCOCC2)cc1 ZINC000416809619 1189585641 /nfs/dbraw/zinc/58/56/41/1189585641.db2.gz JHCZZQLVEXWAOR-QZTJIDSGSA-N 0 3 378.473 0.356 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000363954219 1189585726 /nfs/dbraw/zinc/58/57/26/1189585726.db2.gz VOLLVZRFHYDXAW-HUUCEWRRSA-N 0 3 386.518 0.105 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3cc4c(s3)CCCC4)CCN2C1=O ZINC000584666125 1189616472 /nfs/dbraw/zinc/61/64/72/1189616472.db2.gz KXZMNUBZPBDNGT-QWHCGFSZSA-N 0 3 376.482 0.127 20 0 GCADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000584663411 1189617017 /nfs/dbraw/zinc/61/70/17/1189617017.db2.gz BAPCRJSIESPYSU-STQMWFEESA-N 0 3 384.502 0.657 20 0 GCADHN CC1(C)C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C(C)(C)O1 ZINC000584673391 1189623005 /nfs/dbraw/zinc/62/30/05/1189623005.db2.gz ZXJHBLKUVJTYJD-HNNXBMFYSA-N 0 3 394.516 0.215 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)cc1 ZINC000417134260 1189623584 /nfs/dbraw/zinc/62/35/84/1189623584.db2.gz XPSDEGXFKXEDSW-UONOGXRCSA-N 0 3 384.502 0.503 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000643140204 1189628738 /nfs/dbraw/zinc/62/87/38/1189628738.db2.gz LINJUTCMXOGUEE-OAHLLOKOSA-N 0 3 377.489 0.860 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000643140204 1189628743 /nfs/dbraw/zinc/62/87/43/1189628743.db2.gz LINJUTCMXOGUEE-OAHLLOKOSA-N 0 3 377.489 0.860 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NCCN1CCSCC1)Cc1ccccc1 ZINC000584727481 1189639561 /nfs/dbraw/zinc/63/95/61/1189639561.db2.gz DVTHYXAYTNOTLT-KRWDZBQOSA-N 0 3 378.542 0.441 20 0 GCADHN Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584733221 1189641520 /nfs/dbraw/zinc/64/15/20/1189641520.db2.gz ZXRDHEKRDLVLLC-KBPBESRZSA-N 0 3 388.472 0.177 20 0 GCADHN Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584733223 1189641615 /nfs/dbraw/zinc/64/16/15/1189641615.db2.gz ZXRDHEKRDLVLLC-UONOGXRCSA-N 0 3 388.472 0.177 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)n(C(C)(C)C)n1 ZINC000584748604 1189649892 /nfs/dbraw/zinc/64/98/92/1189649892.db2.gz JEGVARWXHGEQOJ-AWEZNQCLSA-N 0 3 378.521 0.885 20 0 GCADHN CN1CCN(CCNC(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CC1(C)C ZINC000584758920 1189655258 /nfs/dbraw/zinc/65/52/58/1189655258.db2.gz OYDOBZGXCVRLGX-UHFFFAOYSA-N 0 3 394.520 0.176 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CN1Cc1ccccc1 ZINC000584785551 1189665492 /nfs/dbraw/zinc/66/54/92/1189665492.db2.gz UDJAGDFSZOFXSB-HYVNUMGLSA-N 0 3 380.514 0.983 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000613735072 1189676752 /nfs/dbraw/zinc/67/67/52/1189676752.db2.gz TUWBMMDXIKIPMZ-JKSUJKDBSA-N 0 3 384.521 0.765 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000613735070 1189676965 /nfs/dbraw/zinc/67/69/65/1189676965.db2.gz TUWBMMDXIKIPMZ-HOTGVXAUSA-N 0 3 384.521 0.765 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000613735069 1189677040 /nfs/dbraw/zinc/67/70/40/1189677040.db2.gz TUWBMMDXIKIPMZ-CVEARBPZSA-N 0 3 384.521 0.765 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1(c2ccccc2)CCCC1 ZINC000584850371 1189691507 /nfs/dbraw/zinc/69/15/07/1189691507.db2.gz UDWZJSJGKMXRDO-CGTJXYLNSA-N 0 3 398.507 0.774 20 0 GCADHN COc1cccc(OCCN2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)c1 ZINC000188955743 1189693489 /nfs/dbraw/zinc/69/34/89/1189693489.db2.gz HPFHNSMORJDOOA-UHFFFAOYSA-N 0 3 385.468 0.901 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CCN[C@H](C)[C@@H]2C)c1 ZINC000417740685 1189703253 /nfs/dbraw/zinc/70/32/53/1189703253.db2.gz ICSACXHRYAYWAU-KGLIPLIRSA-N 0 3 384.502 0.503 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000660334992 1189714642 /nfs/dbraw/zinc/71/46/42/1189714642.db2.gz ALDULUUKXKLDER-GOSISDBHSA-N 0 3 395.548 0.530 20 0 GCADHN O=C(NCc1nc(C(F)(F)F)n[n-]1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418049411 1189715343 /nfs/dbraw/zinc/71/53/43/1189715343.db2.gz UDQFPWGCKGSAQR-SSDOTTSWSA-N 0 3 389.304 0.459 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)nn1 ZINC000500110668 1189717682 /nfs/dbraw/zinc/71/76/82/1189717682.db2.gz OZENVFOABJIUJK-YOEHRIQHSA-N 0 3 386.456 0.913 20 0 GCADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000500132919 1189721757 /nfs/dbraw/zinc/72/17/57/1189721757.db2.gz PFLJPZNGBTXVTE-UGSOOPFHSA-N 0 3 375.469 0.857 20 0 GCADHN CN(Cc1ccnn1C)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000473043094 1189721901 /nfs/dbraw/zinc/72/19/01/1189721901.db2.gz RRGKOEVKENWHTM-UHFFFAOYSA-N 0 3 386.456 0.885 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCCCC1 ZINC000364252302 1189722624 /nfs/dbraw/zinc/72/26/24/1189722624.db2.gz VLILURAKYDATJY-NVXWUHKLSA-N 0 3 399.557 0.745 20 0 GCADHN C[NH2+]C[C@@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418156096 1189729374 /nfs/dbraw/zinc/72/93/74/1189729374.db2.gz AILJPHYMZAQSHQ-LBPRGKRZSA-N 0 3 390.456 0.884 20 0 GCADHN C[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000418155959 1189729707 /nfs/dbraw/zinc/72/97/07/1189729707.db2.gz AECAMDNYUHWEGN-RYUDHWBXSA-N 0 3 390.456 0.869 20 0 GCADHN CCN1C(=O)[C@@H]2CN(CC(=O)NC[C@H](c3ccccc3)N(C)C)CCN2C1=O ZINC000364281551 1189731164 /nfs/dbraw/zinc/73/11/64/1189731164.db2.gz MKZMCWBSQVKMOV-SJORKVTESA-N 0 3 387.484 0.374 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000364299169 1189738129 /nfs/dbraw/zinc/73/81/29/1189738129.db2.gz ZJNRJJFPHCHXHN-GOSISDBHSA-N 0 3 397.479 0.838 20 0 GCADHN CN(C)CCN1CCN(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)CC1=O ZINC000651488330 1189750397 /nfs/dbraw/zinc/75/03/97/1189750397.db2.gz UODYLDAKMRLNMI-HNNXBMFYSA-N 0 3 375.473 0.178 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCCn3ccnn3)CC2)C[C@@H](C)O1 ZINC000500262934 1189751138 /nfs/dbraw/zinc/75/11/38/1189751138.db2.gz IEDBZWMQMPAGQU-HZPDHXFCSA-N 0 3 392.504 0.132 20 0 GCADHN Cn1ccnc(N2CCC[C@H](NC(=O)NC[C@@H]3NCCc4ccccc43)C2)c1=O ZINC000581180772 1189762461 /nfs/dbraw/zinc/76/24/61/1189762461.db2.gz IDPCQKFFOBEWRM-WMZOPIPTSA-N 0 3 396.495 0.935 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000364352861 1189763885 /nfs/dbraw/zinc/76/38/85/1189763885.db2.gz KVXPJWGENJHXJO-RDTXWAMCSA-N 0 3 380.489 0.593 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000364352858 1189764011 /nfs/dbraw/zinc/76/40/11/1189764011.db2.gz KVXPJWGENJHXJO-KSSFIOAISA-N 0 3 380.489 0.593 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC(n2cc(CNCC[C@H]3CCOC3)nn2)C1 ZINC001105288060 1189766589 /nfs/dbraw/zinc/76/65/89/1189766589.db2.gz BWMYUAFPQOIXMH-CCNMWVGKSA-N 0 3 387.484 0.601 20 0 GCADHN CC(C)CCNCc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001105290501 1189769057 /nfs/dbraw/zinc/76/90/57/1189769057.db2.gz TYHHSASFCXOCOR-JCGIZDLHSA-N 0 3 377.489 0.849 20 0 GCADHN COC(=O)c1c[nH]c(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1C1CC1 ZINC000893354325 1189773667 /nfs/dbraw/zinc/77/36/67/1189773667.db2.gz IRZJSMSWVLNOLI-HNNXBMFYSA-N 0 3 390.484 0.701 20 0 GCADHN Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000047046644 1189778378 /nfs/dbraw/zinc/77/83/78/1189778378.db2.gz QDNBGDVRECSQHG-OAHLLOKOSA-N 0 3 377.470 0.089 20 0 GCADHN Cn1c(=S)n(CN2CCC(CN3CCOCC3)CC2)nc1N1CCOCC1 ZINC000123937920 1189790725 /nfs/dbraw/zinc/79/07/25/1189790725.db2.gz KGLDPAHEHXKMRH-UHFFFAOYSA-N 0 3 396.561 0.789 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCN2CCCCC2)c1 ZINC000047141064 1189791785 /nfs/dbraw/zinc/79/17/85/1189791785.db2.gz QFCRXMPILQVSAE-UHFFFAOYSA-N 0 3 396.513 0.269 20 0 GCADHN O=C(CNC(=O)COc1ccc2c(c1)CCC(=O)N2)NCCN1CCCCC1 ZINC000909328244 1189796748 /nfs/dbraw/zinc/79/67/48/1189796748.db2.gz GCXCFMQIGZBRNS-UHFFFAOYSA-N 0 3 388.468 0.668 20 0 GCADHN O=C(CNC(=O)c1ccc(N2CCOCC2)nc1)NCCN1CCCCC1 ZINC000909327876 1189797241 /nfs/dbraw/zinc/79/72/41/1189797241.db2.gz FCVXSINBHHKTBM-UHFFFAOYSA-N 0 3 375.473 0.250 20 0 GCADHN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC(=O)NCCN1CCCCC1 ZINC000909327995 1189797259 /nfs/dbraw/zinc/79/72/59/1189797259.db2.gz HVPGQPWUGGUJHO-HZPDHXFCSA-N 0 3 392.500 0.270 20 0 GCADHN O=C(CNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)NCCN1CCCCC1 ZINC000909328318 1189797902 /nfs/dbraw/zinc/79/79/02/1189797902.db2.gz ISJOXMCVORRUGC-MRXNPFEDSA-N 0 3 378.517 0.886 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000047145909 1189798277 /nfs/dbraw/zinc/79/82/77/1189798277.db2.gz MUCITVRVJTZXJO-HNNXBMFYSA-N 0 3 391.516 0.696 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000047145909 1189798285 /nfs/dbraw/zinc/79/82/85/1189798285.db2.gz MUCITVRVJTZXJO-HNNXBMFYSA-N 0 3 391.516 0.696 20 0 GCADHN C[C@H](CO)C1CCN(C(=O)C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)CC1 ZINC000652078643 1189803824 /nfs/dbraw/zinc/80/38/24/1189803824.db2.gz MXXIYCWXQFAMLH-CQSZACIVSA-N 0 3 377.489 0.377 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(CCN(C)C)CC(C)C)c1 ZINC000429802989 1189807189 /nfs/dbraw/zinc/80/71/89/1189807189.db2.gz FASIBRJLEUSFQS-UHFFFAOYSA-N 0 3 398.529 0.888 20 0 GCADHN CC1(C)CN(c2ccnc(N3CCN(CCO)C(C)(C)C3)n2)CCN1CCO ZINC000893368194 1189807733 /nfs/dbraw/zinc/80/77/33/1189807733.db2.gz IDNUMVRRXUCOLR-UHFFFAOYSA-N 0 3 392.548 0.262 20 0 GCADHN C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1CC(C)(C)O ZINC000893373335 1189821891 /nfs/dbraw/zinc/82/18/91/1189821891.db2.gz DPCVGPCEKGBYME-MRXNPFEDSA-N 0 3 397.541 0.989 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC(CC(N)=O)CC2)C1 ZINC000660470292 1189843113 /nfs/dbraw/zinc/84/31/13/1189843113.db2.gz LXJKYSBATNTJRI-SFHVURJKSA-N 0 3 386.496 0.833 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)C1 ZINC000660470748 1189844730 /nfs/dbraw/zinc/84/47/30/1189844730.db2.gz ZCCFAFWHMZXRHZ-QZTJIDSGSA-N 0 3 386.496 0.833 20 0 GCADHN C[C@H](CO)CNC(=O)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000651532795 1189846733 /nfs/dbraw/zinc/84/67/33/1189846733.db2.gz DREPCMDFXZSFTB-INIZCTEOSA-N 0 3 392.500 0.386 20 0 GCADHN CN1CCN(CCCCNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000106156791 1189856721 /nfs/dbraw/zinc/85/67/21/1189856721.db2.gz RGTHZYUFIHZTOI-UHFFFAOYSA-N 0 3 394.541 0.885 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCc3c(nnn3CCOC)C2)CC1 ZINC000432094943 1189866689 /nfs/dbraw/zinc/86/66/89/1189866689.db2.gz HOTIWRGDLFFOSW-MRXNPFEDSA-N 0 3 393.536 0.266 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000466932792 1189879160 /nfs/dbraw/zinc/87/91/60/1189879160.db2.gz MDPQMRXDYOKQIY-WMZOPIPTSA-N 0 3 377.533 0.809 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000466932789 1189879285 /nfs/dbraw/zinc/87/92/85/1189879285.db2.gz MDPQMRXDYOKQIY-AEFFLSMTSA-N 0 3 377.533 0.809 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cccnc2-c2cnn(C)c2)CCSC1 ZINC000467229502 1189882541 /nfs/dbraw/zinc/88/25/41/1189882541.db2.gz LFVAWZNZVRLJDP-SFHVURJKSA-N 0 3 388.497 0.974 20 0 GCADHN Cn1nccc1CCN1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C(C)(C)C1 ZINC000974876591 1189904540 /nfs/dbraw/zinc/90/45/40/1189904540.db2.gz IQFRQQFVAJHDTL-LEUOFYLZSA-N 0 3 376.501 0.841 20 0 GCADHN O=C(NCCS(=O)(=O)NCC1CCC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660628269 1189917841 /nfs/dbraw/zinc/91/78/41/1189917841.db2.gz RSCMDGVIYUWEGS-MRXNPFEDSA-N 0 3 388.534 0.258 20 0 GCADHN COCC1(NCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CCOCC1 ZINC000660633471 1189919007 /nfs/dbraw/zinc/91/90/07/1189919007.db2.gz FRIOPTHBCZWTJM-UHFFFAOYSA-N 0 3 383.470 0.008 20 0 GCADHN Cc1nc(Cn2nnc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)c2C)no1 ZINC000468852717 1189922469 /nfs/dbraw/zinc/92/24/69/1189922469.db2.gz GPEJWIJPBWIYQG-CQSZACIVSA-N 0 3 377.449 0.509 20 0 GCADHN CC1(C)CCN(CC(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@@H]3C2)C1 ZINC000975219554 1189929005 /nfs/dbraw/zinc/92/90/05/1189929005.db2.gz VWJGJQCNJQGATB-YYIAUSFCSA-N 0 3 390.528 0.679 20 0 GCADHN C[C@@H]1CN(CCN(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000660670050 1189930763 /nfs/dbraw/zinc/93/07/63/1189930763.db2.gz DJCFEVSEINSTLM-IYBDPMFKSA-N 0 3 384.546 0.811 20 0 GCADHN COC(=O)c1csc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1C ZINC000613759012 1189932487 /nfs/dbraw/zinc/93/24/87/1189932487.db2.gz ZABRDVCMGXQTFN-LBPRGKRZSA-N 0 3 396.513 0.924 20 0 GCADHN C[C@H]1CN(CCN(C)CCOc2ccc(S(N)(=O)=O)cc2F)C[C@H](C)O1 ZINC000660753125 1189946242 /nfs/dbraw/zinc/94/62/42/1189946242.db2.gz GJLDLHYSBJUYSE-KBPBESRZSA-N 0 3 389.493 0.893 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000636662292 1189953955 /nfs/dbraw/zinc/95/39/55/1189953955.db2.gz MUGSFUGVSNQSST-NWDGAFQWSA-N 0 3 376.383 0.488 20 0 GCADHN C[C@@H](CNC(=O)N1CCn2c(nnc2C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000660831120 1189955690 /nfs/dbraw/zinc/95/56/90/1189955690.db2.gz QNJYEYSJGIXHEX-HNNXBMFYSA-N 0 3 377.537 0.984 20 0 GCADHN CC1(C)NC(=O)N(CCCN2CCC(NC(=O)N3CCOCC3)CC2)C1=O ZINC000660861510 1189958458 /nfs/dbraw/zinc/95/84/58/1189958458.db2.gz QJXOGBAPSOTVHT-UHFFFAOYSA-N 0 3 381.477 0.213 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC(=O)NC3CCN([C@H]4CCOC4)CC3)C2=O)n1 ZINC000661010328 1189980737 /nfs/dbraw/zinc/98/07/37/1189980737.db2.gz ULZNRNNURRXZLT-HOTGVXAUSA-N 0 3 390.488 0.468 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C)c(C(=O)OC)c2)CC1 ZINC000473091192 1189989433 /nfs/dbraw/zinc/98/94/33/1189989433.db2.gz BCCVKTIGIBRYFU-HNNXBMFYSA-N 0 3 390.484 0.862 20 0 GCADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C1 ZINC000976036590 1190003886 /nfs/dbraw/zinc/00/38/86/1190003886.db2.gz RHJHEOGADCZKCC-ZDRJDWQYSA-N 0 3 382.468 0.939 20 0 GCADHN CCN1CCN(C(=O)[C@@H](C)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000661178954 1190008596 /nfs/dbraw/zinc/00/85/96/1190008596.db2.gz CYMYKGUHOAPIPX-QRQLOZEOSA-N 0 3 398.507 0.656 20 0 GCADHN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000473098562 1190013115 /nfs/dbraw/zinc/01/31/15/1190013115.db2.gz NDCCEOIQIWWBPD-HRCADAONSA-N 0 3 381.521 0.904 20 0 GCADHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000662749800 1190017563 /nfs/dbraw/zinc/01/75/63/1190017563.db2.gz LFZVRUKKWNRUPL-CYBMUJFWSA-N 0 3 378.477 0.725 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)n1 ZINC000662749621 1190017896 /nfs/dbraw/zinc/01/78/96/1190017896.db2.gz KFKHZUHASSWPKQ-CYBMUJFWSA-N 0 3 375.816 0.964 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)n1 ZINC000662749285 1190018023 /nfs/dbraw/zinc/01/80/23/1190018023.db2.gz CNMZKWVYROVOQU-KRWDZBQOSA-N 0 3 375.404 0.470 20 0 GCADHN CCOc1ccccc1N1C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662754413 1190018301 /nfs/dbraw/zinc/01/83/01/1190018301.db2.gz MOOVMRBXOGRZQX-LBPRGKRZSA-N 0 3 385.424 0.709 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 ZINC000662752919 1190019285 /nfs/dbraw/zinc/01/92/85/1190019285.db2.gz VNJNSUOFEBRKMV-JTQLQIEISA-N 0 3 375.816 0.964 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000661237510 1190020312 /nfs/dbraw/zinc/02/03/12/1190020312.db2.gz NKMONKSVGVLIFG-ZACQAIPSSA-N 0 3 380.533 0.375 20 0 GCADHN O=C(Cn1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cn1)NC1CCCCC1 ZINC000647709307 1190034475 /nfs/dbraw/zinc/03/44/75/1190034475.db2.gz UVJWPJFYGPGVPO-ZWKOTPCHSA-N 0 3 389.500 0.613 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](CN4CCOCC4)C3)[C@H]2C1 ZINC000661403664 1190043148 /nfs/dbraw/zinc/04/31/48/1190043148.db2.gz YNPCGXPWVWUJHU-BZSNNMDCSA-N 0 3 378.517 0.110 20 0 GCADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000408173590 1190045077 /nfs/dbraw/zinc/04/50/77/1190045077.db2.gz LQAQWVCFFADPIF-IRXDYDNUSA-N 0 3 384.546 0.229 20 0 GCADHN Cc1c(CN)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)nn1C ZINC000662841400 1190049012 /nfs/dbraw/zinc/04/90/12/1190049012.db2.gz KCCOUUMULKKZJC-UHFFFAOYSA-N 0 3 394.501 0.953 20 0 GCADHN COC[C@@H](NCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(OC)c1 ZINC000661473349 1190055640 /nfs/dbraw/zinc/05/56/40/1190055640.db2.gz NDPUHIQCFFRCBI-OAHLLOKOSA-N 0 3 387.440 0.420 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC000647712270 1190057581 /nfs/dbraw/zinc/05/75/81/1190057581.db2.gz ZWWYXKDPXUXTBR-INIZCTEOSA-N 0 3 383.514 0.807 20 0 GCADHN COC(=O)C(C)(C)n1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cn1 ZINC000594961123 1190058677 /nfs/dbraw/zinc/05/86/77/1190058677.db2.gz FOEOJLBOXRCDBB-ZIAGYGMSSA-N 0 3 393.488 0.966 20 0 GCADHN C[C@@H]1CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CCO ZINC000661492506 1190060134 /nfs/dbraw/zinc/06/01/34/1190060134.db2.gz KSQUQAHWEWUXFM-RHSMWYFYSA-N 0 3 383.514 0.476 20 0 GCADHN C[C@@H](NC(=O)NCCCCN1CCN(CCO)CC1)C(=O)Nc1ccccc1 ZINC000512629990 1193720405 /nfs/dbraw/zinc/72/04/05/1193720405.db2.gz LAFHLQUANSLMJI-QGZVFWFLSA-N 0 3 391.516 0.703 20 0 GCADHN CN(C)C(=O)C1(CNC(=O)NCCCCN2CCN(CCO)CC2)CCCC1 ZINC000512628871 1193722600 /nfs/dbraw/zinc/72/26/00/1193722600.db2.gz GOLHXMULPAMNGK-UHFFFAOYSA-N 0 3 397.564 0.324 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)N(C)[C@@H]3CCN(C(C)C)C3)CC2)n1 ZINC000411033522 1193724438 /nfs/dbraw/zinc/72/44/38/1193724438.db2.gz WEENAJYDYKFDSL-CQSZACIVSA-N 0 3 394.545 0.690 20 0 GCADHN COC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C[C@@H](C)O1 ZINC000411050602 1193724879 /nfs/dbraw/zinc/72/48/79/1193724879.db2.gz ZXMPCRCULNEVLO-GDBMZVCRSA-N 0 3 383.514 0.901 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000759990210 1193727593 /nfs/dbraw/zinc/72/75/93/1193727593.db2.gz RTVHEIJQQKFACL-SJORKVTESA-N 0 3 375.473 0.983 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000663914962 1193728093 /nfs/dbraw/zinc/72/80/93/1193728093.db2.gz CIKIYZIKBRAOCQ-HOTGVXAUSA-N 0 3 395.548 0.875 20 0 GCADHN CN(C)c1ccc(CNC(=O)NCCCCN2CCN(CCO)CC2)cn1 ZINC000512660418 1193728914 /nfs/dbraw/zinc/72/89/14/1193728914.db2.gz NDCOTYRFYPNDQH-UHFFFAOYSA-N 0 3 378.521 0.337 20 0 GCADHN Cc1c([C@@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)cnn1-c1ccc(F)cc1 ZINC000419226849 1193734642 /nfs/dbraw/zinc/73/46/42/1193734642.db2.gz DYSGXXJPGJKSPA-WBMJQRKESA-N 0 3 389.431 0.602 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000473469480 1193737802 /nfs/dbraw/zinc/73/78/02/1193737802.db2.gz IMHFOLRXKPRCJF-CQSZACIVSA-N 0 3 387.484 0.652 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCC(O)(CO)CC2)c1 ZINC000663955795 1193738832 /nfs/dbraw/zinc/73/88/32/1193738832.db2.gz FZKWOOKCBXPOIK-UHFFFAOYSA-N 0 3 395.500 0.672 20 0 GCADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000473475102 1193747162 /nfs/dbraw/zinc/74/71/62/1193747162.db2.gz YIWMGOGQBCQSEV-HNNXBMFYSA-N 0 3 390.484 0.862 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C)cc2C(=O)OC)CC1 ZINC000512749507 1193751170 /nfs/dbraw/zinc/75/11/70/1193751170.db2.gz MKQXDXPYFJVHIT-OAHLLOKOSA-N 0 3 390.484 0.862 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000419238548 1193751845 /nfs/dbraw/zinc/75/18/45/1193751845.db2.gz HDYJCRXPDDORJU-CQSZACIVSA-N 0 3 381.423 0.997 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCn1c2ccccc2oc1=O ZINC000664018747 1193757359 /nfs/dbraw/zinc/75/73/59/1193757359.db2.gz DHSVDSYFRHCRTK-UHFFFAOYSA-N 0 3 377.445 0.256 20 0 GCADHN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000664025931 1193761020 /nfs/dbraw/zinc/76/10/20/1193761020.db2.gz IUGKIBDCTLTCOV-KZNAEPCWSA-N 0 3 379.549 0.565 20 0 GCADHN C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC(CN2CCOCC2)CC1 ZINC000051957735 1193772874 /nfs/dbraw/zinc/77/28/74/1193772874.db2.gz KVNQVVRQKGMOPZ-DOTOQJQBSA-N 0 3 387.546 0.065 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000473478982 1193774176 /nfs/dbraw/zinc/77/41/76/1193774176.db2.gz AHAIVIABEOHLHJ-OAHLLOKOSA-N 0 3 389.500 0.517 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@@H](n2cccn2)C1 ZINC000512809107 1193774878 /nfs/dbraw/zinc/77/48/78/1193774878.db2.gz SPSYVZFSYGKTEX-GOSISDBHSA-N 0 3 378.521 0.620 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)cc1 ZINC000419267833 1193778783 /nfs/dbraw/zinc/77/87/83/1193778783.db2.gz JNYHJYLYYFDBQW-MRXNPFEDSA-N 0 3 395.525 0.867 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCN(CC(F)(F)F)CC1 ZINC000512825850 1193780855 /nfs/dbraw/zinc/78/08/55/1193780855.db2.gz HFPKPWBGLLJWQZ-UHFFFAOYSA-N 0 3 395.470 0.266 20 0 GCADHN COCC(COC)N1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000411729302 1193785718 /nfs/dbraw/zinc/78/57/18/1193785718.db2.gz MCXVMMDQBRGUAX-UHFFFAOYSA-N 0 3 392.500 0.492 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000419288044 1193787416 /nfs/dbraw/zinc/78/74/16/1193787416.db2.gz SFSZLXYJIPDVCD-BPUTZDHNSA-N 0 3 388.468 0.133 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000419290722 1193787605 /nfs/dbraw/zinc/78/76/05/1193787605.db2.gz VWEFCMHTTHLREQ-JKSUJKDBSA-N 0 3 391.468 0.348 20 0 GCADHN COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000509825603 1193789565 /nfs/dbraw/zinc/78/95/65/1193789565.db2.gz KVAUIXAXQSDFAQ-ZDUSSCGKSA-N 0 3 385.486 0.502 20 0 GCADHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(=O)N2CCNCC2)CC1 ZINC000419303799 1193796539 /nfs/dbraw/zinc/79/65/39/1193796539.db2.gz SRTUSJQRPUTBGL-OAHLLOKOSA-N 0 3 391.491 0.577 20 0 GCADHN CCOC(=O)c1cccc(OC[C@H](O)CN2CCC(NC(=O)NC)CC2)c1 ZINC000412055835 1193803222 /nfs/dbraw/zinc/80/32/22/1193803222.db2.gz QIOPNPIODONZKH-MRXNPFEDSA-N 0 3 379.457 0.996 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000419313978 1193805836 /nfs/dbraw/zinc/80/58/36/1193805836.db2.gz TZWPVMSEESOBEZ-ZBFHGGJFSA-N 0 3 389.500 0.917 20 0 GCADHN CC[C@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000614329299 1193805852 /nfs/dbraw/zinc/80/58/52/1193805852.db2.gz FVVMKFYRLFBUQQ-INIZCTEOSA-N 0 3 396.513 0.866 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000263236178 1193807760 /nfs/dbraw/zinc/80/77/60/1193807760.db2.gz JRMFXKNQKRJLEL-WBVHZDCISA-N 0 3 375.473 0.174 20 0 GCADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000419317730 1193808510 /nfs/dbraw/zinc/80/85/10/1193808510.db2.gz NBVXTAHWBHVRQS-SJORKVTESA-N 0 3 389.500 0.846 20 0 GCADHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419322274 1193811704 /nfs/dbraw/zinc/81/17/04/1193811704.db2.gz GIXXCCHYPLALFF-KURKYZTESA-N 0 3 375.469 0.684 20 0 GCADHN CCCNC(=O)Cn1c(C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001745790298 1193812701 /nfs/dbraw/zinc/81/27/01/1193812701.db2.gz MVTFGTXKGMFQNS-KRWDZBQOSA-N 0 3 377.537 0.717 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 ZINC000614343016 1193830260 /nfs/dbraw/zinc/83/02/60/1193830260.db2.gz ZKLIAJCJCNUEHE-HZPDHXFCSA-N 0 3 377.489 0.825 20 0 GCADHN C[C@H](NC(=O)C(=O)NCCc1cccc(C(=O)N(C)C)c1)C1=CCN(C)CC1 ZINC000513039680 1193830609 /nfs/dbraw/zinc/83/06/09/1193830609.db2.gz BQJJXJVDRBNPJY-HNNXBMFYSA-N 0 3 386.496 0.814 20 0 GCADHN CC(C)[C@@H](NC1CC(S(C)(=O)=O)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000894145568 1193830675 /nfs/dbraw/zinc/83/06/75/1193830675.db2.gz ODCOWTPAWWGMDY-SEEARECTSA-N 0 3 383.518 0.373 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000473490082 1193833433 /nfs/dbraw/zinc/83/34/33/1193833433.db2.gz VWESSLWSLVYXGL-GFCCVEGCSA-N 0 3 382.534 0.916 20 0 GCADHN O=C(CNC[C@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC1CCOCC1 ZINC001482060269 1193834719 /nfs/dbraw/zinc/83/47/19/1193834719.db2.gz NOLCEDXLYOTXFK-LKCYJCQHSA-N 0 3 379.501 0.677 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NCC3(O)CCOCC3)cc2)CC1 ZINC000171420142 1193860913 /nfs/dbraw/zinc/86/09/13/1193860913.db2.gz DMKGSFIEJMEIDW-UHFFFAOYSA-N 0 3 376.501 0.775 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CNC[C@H]3CCCO3)cn2)C[C@H](C)O1 ZINC000429992559 1193869486 /nfs/dbraw/zinc/86/94/86/1193869486.db2.gz QWUQKJIBBODWKZ-IJEWVQPXSA-N 0 3 379.461 0.226 20 0 GCADHN O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000419370064 1193872693 /nfs/dbraw/zinc/87/26/93/1193872693.db2.gz JAAZWWGESSTPSK-KRWDZBQOSA-N 0 3 394.903 0.651 20 0 GCADHN COCCN(CCN(C)C)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000433480600 1193873592 /nfs/dbraw/zinc/87/35/92/1193873592.db2.gz NTLORQUQLZOUHF-UHFFFAOYSA-N 0 3 378.429 0.618 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCn3cnnc3[C@H]2C)CC1 ZINC000571443260 1193875636 /nfs/dbraw/zinc/87/56/36/1193875636.db2.gz YVXZPESFTJOXMB-HUUCEWRRSA-N 0 3 397.483 0.918 20 0 GCADHN COCCO[C@@H]1COCC[C@H]1NC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000576407851 1193875727 /nfs/dbraw/zinc/87/57/27/1193875727.db2.gz OUCZDSNBBZZFGW-IPMKNSEASA-N 0 3 398.548 0.617 20 0 GCADHN C[C@H](CO)N1CCCN(C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 ZINC000433483224 1193876852 /nfs/dbraw/zinc/87/68/52/1193876852.db2.gz JLRGJLFEHHGBIX-CQSZACIVSA-N 0 3 390.440 0.497 20 0 GCADHN CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCN(C)C(C)(C)C3)O2)CC1(C)C ZINC000614409586 1193878504 /nfs/dbraw/zinc/87/85/04/1193878504.db2.gz IMEVCYSLVNFEFI-IYBDPMFKSA-N 0 3 380.533 0.639 20 0 GCADHN CCCN(CCN1CCCCC1)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000513127588 1193885537 /nfs/dbraw/zinc/88/55/37/1193885537.db2.gz KMGVBHQJVUZQJT-UHFFFAOYSA-N 0 3 381.565 0.417 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000419387304 1193897102 /nfs/dbraw/zinc/89/71/02/1193897102.db2.gz JHFQDEPNYPZEKX-NILFDRSVSA-N 0 3 385.823 0.530 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000419387302 1193897358 /nfs/dbraw/zinc/89/73/58/1193897358.db2.gz JHFQDEPNYPZEKX-GLQYFDAESA-N 0 3 385.823 0.530 20 0 GCADHN CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000052594306 1193898022 /nfs/dbraw/zinc/89/80/22/1193898022.db2.gz GABSKMXEKIAIMW-OAHLLOKOSA-N 0 3 381.502 0.582 20 0 GCADHN CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000052594304 1193898529 /nfs/dbraw/zinc/89/85/29/1193898529.db2.gz GABSKMXEKIAIMW-HNNXBMFYSA-N 0 3 381.502 0.582 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N[C@@H](CN)C2CCCC2)cc1 ZINC000419390383 1193900736 /nfs/dbraw/zinc/90/07/36/1193900736.db2.gz PXCNIKKUTBZXMQ-PBHICJAKSA-N 0 3 395.525 0.907 20 0 GCADHN COC(=O)c1c(F)cccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000513153527 1193902194 /nfs/dbraw/zinc/90/21/94/1193902194.db2.gz HUNVJRLBVXBFLR-ZDUSSCGKSA-N 0 3 394.447 0.551 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000052868299 1193912357 /nfs/dbraw/zinc/91/23/57/1193912357.db2.gz OMTSFHBITGXISX-UHFFFAOYSA-N 0 3 397.497 0.633 20 0 GCADHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000614442333 1193914106 /nfs/dbraw/zinc/91/41/06/1193914106.db2.gz FRDNRZAPJUUVSQ-KRWDZBQOSA-N 0 3 382.549 0.480 20 0 GCADHN CN1C(=O)C(=O)N(CC(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)C1=O ZINC000614446132 1193915453 /nfs/dbraw/zinc/91/54/53/1193915453.db2.gz MZBLUCCHENTDGQ-AWEZNQCLSA-N 0 3 396.488 0.127 20 0 GCADHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000614445922 1193915498 /nfs/dbraw/zinc/91/54/98/1193915498.db2.gz JXDQTUIEIIQZQH-HNNXBMFYSA-N 0 3 382.505 0.648 20 0 GCADHN CN1CCO[C@@H]([C@H](NC(=O)C(=O)N2CCCNCC2)c2ccc(Cl)cc2)C1 ZINC000419394487 1193920634 /nfs/dbraw/zinc/92/06/34/1193920634.db2.gz SHYQXSZVVPETBT-IAGOWNOFSA-N 0 3 394.903 0.650 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](N)C3CCOCC3)CC2)cc1 ZINC000261602394 1193921121 /nfs/dbraw/zinc/92/11/21/1193921121.db2.gz AAFICJBLMYLVRM-QGZVFWFLSA-N 0 3 397.497 0.282 20 0 GCADHN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@H](N)C1CCOCC1 ZINC000261628898 1193921524 /nfs/dbraw/zinc/92/15/24/1193921524.db2.gz CUJLSOLHEQIHTP-MRXNPFEDSA-N 0 3 383.470 0.828 20 0 GCADHN CNC(=O)CC[C@H]1CCCCN1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000513216007 1193922332 /nfs/dbraw/zinc/92/23/32/1193922332.db2.gz UPWGNTJBBLQHSN-MRXNPFEDSA-N 0 3 390.484 0.945 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000261986415 1193934664 /nfs/dbraw/zinc/93/46/64/1193934664.db2.gz CNPXGHQUWDHYDZ-AEFFLSMTSA-N 0 3 380.464 0.415 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000261986417 1193934673 /nfs/dbraw/zinc/93/46/73/1193934673.db2.gz CNPXGHQUWDHYDZ-WMZOPIPTSA-N 0 3 380.464 0.415 20 0 GCADHN CCc1ccccc1NC(=O)CN1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262008142 1193935619 /nfs/dbraw/zinc/93/56/19/1193935619.db2.gz FFPXDOYCRCMGST-UHFFFAOYSA-N 0 3 387.528 0.627 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000262014571 1193936124 /nfs/dbraw/zinc/93/61/24/1193936124.db2.gz FSCGRQDBMHZJRI-LRDDRELGSA-N 0 3 384.502 0.214 20 0 GCADHN CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](N)C3CCOCC3)c2)CC1 ZINC000262026332 1193936463 /nfs/dbraw/zinc/93/64/63/1193936463.db2.gz PCDHQZTZEPYVAT-QGZVFWFLSA-N 0 3 396.513 0.315 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000262063405 1193937801 /nfs/dbraw/zinc/93/78/01/1193937801.db2.gz JIISGYUOCKHUJO-RDJZCZTQSA-N 0 3 376.457 0.520 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)CC(C)(C)OC)CC1 ZINC000513340826 1193939977 /nfs/dbraw/zinc/93/99/77/1193939977.db2.gz NUYYUBDNGSKITD-OAHLLOKOSA-N 0 3 384.521 0.319 20 0 GCADHN COC(C)(C)C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000513340810 1193940015 /nfs/dbraw/zinc/94/00/15/1193940015.db2.gz NQNDUXHGDQPILN-CABCVRRESA-N 0 3 382.505 0.071 20 0 GCADHN COc1ccc([C@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)N2CCOCC2)cc1 ZINC000262144731 1193940538 /nfs/dbraw/zinc/94/05/38/1193940538.db2.gz OVKCADWKNJJHPI-HKUYNNGSSA-N 0 3 392.500 0.284 20 0 GCADHN COc1ccc([C@@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)N2CCOCC2)cc1 ZINC000262144732 1193940608 /nfs/dbraw/zinc/94/06/08/1193940608.db2.gz OVKCADWKNJJHPI-MJGOQNOKSA-N 0 3 392.500 0.284 20 0 GCADHN COC(=O)c1cc(-c2csc(NC(=O)CNC(=O)[C@@H](N)C(C)C)n2)c[nH]1 ZINC000262180188 1193941306 /nfs/dbraw/zinc/94/13/06/1193941306.db2.gz RACOTGBCKIISGP-ZDUSSCGKSA-N 0 3 379.442 0.963 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000262251054 1193943214 /nfs/dbraw/zinc/94/32/14/1193943214.db2.gz WVRFIGYBFIUGHW-SFHVURJKSA-N 0 3 394.903 0.653 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)cc1F ZINC000262280398 1193944074 /nfs/dbraw/zinc/94/40/74/1193944074.db2.gz ZDMSQORVAFXHKE-SFHVURJKSA-N 0 3 380.464 0.578 20 0 GCADHN CC[C@H](C)[C@H](N)C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000262317230 1193944913 /nfs/dbraw/zinc/94/49/13/1193944913.db2.gz PNRWSFXMQGTESC-LRDDRELGSA-N 0 3 396.513 0.885 20 0 GCADHN Cc1cccc2c1ncn(CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c2=O ZINC000513437637 1193951951 /nfs/dbraw/zinc/95/19/51/1193951951.db2.gz DMCZFUMGGOOCDM-QGZVFWFLSA-N 0 3 399.495 0.764 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000513443538 1193952664 /nfs/dbraw/zinc/95/26/64/1193952664.db2.gz IKDUNGSTSWCQDZ-SJORKVTESA-N 0 3 378.517 0.694 20 0 GCADHN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000647817406 1193952957 /nfs/dbraw/zinc/95/29/57/1193952957.db2.gz JOBSKBVHBRGLCK-HOTGVXAUSA-N 0 3 391.516 0.913 20 0 GCADHN COC(=O)CCN1CC[C@@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)C1=O ZINC000433882894 1193956550 /nfs/dbraw/zinc/95/65/50/1193956550.db2.gz MQLQZFIVRUCUMP-OAHLLOKOSA-N 0 3 383.470 0.191 20 0 GCADHN COCn1nc(C)c(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)c1C ZINC000433885942 1193956803 /nfs/dbraw/zinc/95/68/03/1193956803.db2.gz RCGGTPQXTZAQIT-UHFFFAOYSA-N 0 3 387.550 0.750 20 0 GCADHN COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433886092 1193956935 /nfs/dbraw/zinc/95/69/35/1193956935.db2.gz ALQFOGGDXVGIKB-INIZCTEOSA-N 0 3 399.513 0.730 20 0 GCADHN COc1cccc(C[C@@H](NC(C)=O)C(=O)N[C@@H](CO)CN2CCCCC2)c1 ZINC000413820729 1193956976 /nfs/dbraw/zinc/95/69/76/1193956976.db2.gz RDSNTKBIAMBBBQ-IEBWSBKVSA-N 0 3 377.485 0.705 20 0 GCADHN Cc1nc(CN2CCC(CNC(=O)CNC(=O)[C@@H](N)C(C)C)CC2)oc1C ZINC000262950587 1193958955 /nfs/dbraw/zinc/95/89/55/1193958955.db2.gz BUJCASRGULUGSY-SFHVURJKSA-N 0 3 379.505 0.719 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000513587137 1193964309 /nfs/dbraw/zinc/96/43/09/1193964309.db2.gz VCGHRHXBHDFRMT-BRWVUGGUSA-N 0 3 380.533 0.402 20 0 GCADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cnc(N3CCN(C)CC3)nc2)cn1 ZINC000433997386 1193965801 /nfs/dbraw/zinc/96/58/01/1193965801.db2.gz PPRXPUCQUMUUKD-MJGOQNOKSA-N 0 3 398.515 0.554 20 0 GCADHN C[C@H](CNC(=O)N(CCN1CCOCC1)CC1CC1)CN1CCN(C)CC1 ZINC000664218654 1193970186 /nfs/dbraw/zinc/97/01/86/1193970186.db2.gz FLGRVMZRACQMCI-GOSISDBHSA-N 0 3 381.565 0.624 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000419396391 1193970200 /nfs/dbraw/zinc/97/02/00/1193970200.db2.gz SGEMOFXPJGUJQF-DZGCQCFKSA-N 0 3 383.395 0.886 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000664218982 1193970546 /nfs/dbraw/zinc/97/05/46/1193970546.db2.gz GHNLYOSXCHOTOX-ROUUACIJSA-N 0 3 379.549 0.914 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000888242999 1193970970 /nfs/dbraw/zinc/97/09/70/1193970970.db2.gz BGUROZJVBLDSAZ-CQSZACIVSA-N 0 3 393.463 0.707 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c(C)c1 ZINC000279978033 1193971918 /nfs/dbraw/zinc/97/19/18/1193971918.db2.gz PIPUATKBOJPEOS-AWEZNQCLSA-N 0 3 376.457 0.468 20 0 GCADHN CC(C)n1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000280231908 1193981667 /nfs/dbraw/zinc/98/16/67/1193981667.db2.gz BXYGMKQZRCKHEA-CQSZACIVSA-N 0 3 378.477 0.461 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000280270410 1193983012 /nfs/dbraw/zinc/98/30/12/1193983012.db2.gz UWYZIWQUOGMOPG-HXUWFJFHSA-N 0 3 393.484 0.299 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnc(C(C)C)nc2)CC1 ZINC000280448479 1193995658 /nfs/dbraw/zinc/99/56/58/1193995658.db2.gz WAFZHNRLWHDILI-UHFFFAOYSA-N 0 3 390.488 0.551 20 0 GCADHN COCCN(C)CCNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000280651383 1194012641 /nfs/dbraw/zinc/01/26/41/1194012641.db2.gz WHXKRTJJBMGRTB-GOSISDBHSA-N 0 3 399.513 0.136 20 0 GCADHN OCCN1CCN(CCCCNc2cc(N3CCSCC3)ncn2)CC1 ZINC000434104241 1194013885 /nfs/dbraw/zinc/01/38/85/1194013885.db2.gz OEEAQLIGHBENKW-UHFFFAOYSA-N 0 3 380.562 0.832 20 0 GCADHN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)C(=O)N1CCCNCC1 ZINC000419398932 1194018980 /nfs/dbraw/zinc/01/89/80/1194018980.db2.gz IRXFCNHSCOAUQF-QGZVFWFLSA-N 0 3 376.526 0.542 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCCNCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419423772 1194024015 /nfs/dbraw/zinc/02/40/15/1194024015.db2.gz YZZLDLHJBIVNSW-RBUKOAKNSA-N 0 3 388.512 0.604 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1cccc(OCc2ccccn2)c1 ZINC000419422394 1194024115 /nfs/dbraw/zinc/02/41/15/1194024115.db2.gz HCWTWDASXKYLEH-KXBFYZLASA-N 0 3 398.463 0.942 20 0 GCADHN Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)n1 ZINC000419425778 1194026847 /nfs/dbraw/zinc/02/68/47/1194026847.db2.gz WKCGDVSJAPSWPA-SFHVURJKSA-N 0 3 385.468 0.252 20 0 GCADHN COc1cc([C@@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)ccc1OC(C)C ZINC000419427062 1194027693 /nfs/dbraw/zinc/02/76/93/1194027693.db2.gz OBDRFMVPJFSHIZ-UKRRQHHQSA-N 0 3 379.457 0.764 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419411304 1194029296 /nfs/dbraw/zinc/02/92/96/1194029296.db2.gz BMCSWEBHZGWTHD-BEFAXECRSA-N 0 3 384.480 0.793 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419411306 1194029890 /nfs/dbraw/zinc/02/98/90/1194029890.db2.gz BMCSWEBHZGWTHD-DNVCBOLYSA-N 0 3 384.480 0.793 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1cn(-c2ccccc2)nn1 ZINC000419417802 1194032151 /nfs/dbraw/zinc/03/21/51/1194032151.db2.gz QEGULFVHDAFSOI-KCQAQPDRSA-N 0 3 386.456 0.674 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419416463 1194032401 /nfs/dbraw/zinc/03/24/01/1194032401.db2.gz WFTJOXUFIXNAMU-YDHLFZDLSA-N 0 3 380.489 0.265 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419416462 1194032569 /nfs/dbraw/zinc/03/25/69/1194032569.db2.gz WFTJOXUFIXNAMU-KCQAQPDRSA-N 0 3 380.489 0.265 20 0 GCADHN Cc1cc(C)cc(CCNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000419459256 1194033754 /nfs/dbraw/zinc/03/37/54/1194033754.db2.gz FNCVKUJKPNBTKG-SFHVURJKSA-N 0 3 384.484 0.876 20 0 GCADHN COc1cccc(COCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419471885 1194038769 /nfs/dbraw/zinc/03/87/69/1194038769.db2.gz GKPYHAGMNHLCGB-CZUORRHYSA-N 0 3 379.457 0.557 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)C1=O ZINC000501037444 1194043045 /nfs/dbraw/zinc/04/30/45/1194043045.db2.gz TZRGVTYIXNNDSM-OAHLLOKOSA-N 0 3 382.505 0.914 20 0 GCADHN Cc1cccc(N2CCN(CCCNC(=O)C(=O)N3CCN[C@@H](C)C3)CC2)c1 ZINC000419513039 1194052078 /nfs/dbraw/zinc/05/20/78/1194052078.db2.gz LDMASCRCBWPONO-SFHVURJKSA-N 0 3 387.528 0.444 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000419550512 1194057888 /nfs/dbraw/zinc/05/78/88/1194057888.db2.gz UUGAFYFALQRTCK-TZMCWYRMSA-N 0 3 394.859 0.056 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000419600591 1194068870 /nfs/dbraw/zinc/06/88/70/1194068870.db2.gz VZRCGBYRFNHNNI-TZMCWYRMSA-N 0 3 377.441 0.346 20 0 GCADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419609680 1194073705 /nfs/dbraw/zinc/07/37/05/1194073705.db2.gz JGKWXDJMVRKEDS-DVOMOZLQSA-N 0 3 379.457 0.808 20 0 GCADHN Cc1ccc2c(c1C)OC[C@H]2NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419646926 1194076529 /nfs/dbraw/zinc/07/65/29/1194076529.db2.gz JMYAWJWMNXHHKK-NVXWUHKLSA-N 0 3 398.467 0.767 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCc2nnnn2CC2CC2)cc1 ZINC000419674981 1194080015 /nfs/dbraw/zinc/08/00/15/1194080015.db2.gz JRVZBZWXUXYMLY-INIZCTEOSA-N 0 3 385.472 0.639 20 0 GCADHN COc1ccccc1SC[C@H](C)CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419681660 1194081559 /nfs/dbraw/zinc/08/15/59/1194081559.db2.gz IROCPGOQFANCGI-ZIAGYGMSSA-N 0 3 381.498 0.644 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000419658419 1194081849 /nfs/dbraw/zinc/08/18/49/1194081849.db2.gz XAHOCJDIZUXXGS-PBHICJAKSA-N 0 3 385.468 0.777 20 0 GCADHN O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000419704004 1194082512 /nfs/dbraw/zinc/08/25/12/1194082512.db2.gz GRQZKBKSHBJRCV-MNOVXSKESA-N 0 3 388.394 0.820 20 0 GCADHN O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000419704005 1194082668 /nfs/dbraw/zinc/08/26/68/1194082668.db2.gz GRQZKBKSHBJRCV-QWRGUYRKSA-N 0 3 388.394 0.820 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000419704412 1194083253 /nfs/dbraw/zinc/08/32/53/1194083253.db2.gz GKJFSPXWNIRUED-WCQYABFASA-N 0 3 394.438 0.606 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CCc2ccccc2C1=O ZINC000419733722 1194090132 /nfs/dbraw/zinc/09/01/32/1194090132.db2.gz OMTASWMPPAFJIK-CJNGLKHVSA-N 0 3 388.468 0.030 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)NCc2ccccc2S(N)(=O)=O)CC1 ZINC000513709932 1194094594 /nfs/dbraw/zinc/09/45/94/1194094594.db2.gz MRQYOBZEQSWJAF-UHFFFAOYSA-N 0 3 397.545 0.549 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCC2(N3CCOCC3)CC2)cc1 ZINC000419754859 1194098007 /nfs/dbraw/zinc/09/80/07/1194098007.db2.gz BDESYAZJNSQXCN-SFHVURJKSA-N 0 3 388.512 0.907 20 0 GCADHN O=C(NCCCOc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@H]1CNCCO1 ZINC000419778241 1194104098 /nfs/dbraw/zinc/10/40/98/1194104098.db2.gz OIHFUBPELYHTNX-LBPRGKRZSA-N 0 3 390.362 0.090 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000501280381 1194104389 /nfs/dbraw/zinc/10/43/89/1194104389.db2.gz HFGSMDFGZQMVAC-AWEZNQCLSA-N 0 3 396.513 0.219 20 0 GCADHN CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC2(N(C)C)CC2)cc1 ZINC000419797671 1194105788 /nfs/dbraw/zinc/10/57/88/1194105788.db2.gz USEAIGUQUQZWOA-UHFFFAOYSA-N 0 3 382.486 0.987 20 0 GCADHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(N(C)C)CC2)c1 ZINC000419797695 1194105794 /nfs/dbraw/zinc/10/57/94/1194105794.db2.gz UYIIMGCDMGLMBV-ZDUSSCGKSA-N 0 3 396.513 0.912 20 0 GCADHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419798078 1194105901 /nfs/dbraw/zinc/10/59/01/1194105901.db2.gz WGKSOXQROGZWHJ-UHFFFAOYSA-N 0 3 379.413 0.639 20 0 GCADHN CCOC(=O)COc1ccc(CCNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419786647 1194107984 /nfs/dbraw/zinc/10/79/84/1194107984.db2.gz ZCSUJBQYXWNLPG-UHFFFAOYSA-N 0 3 377.441 0.109 20 0 GCADHN CCOc1ccc(CCNC(=O)C(=O)NC[C@H]2CNCCO2)cc1OCC ZINC000419789234 1194108634 /nfs/dbraw/zinc/10/86/34/1194108634.db2.gz ASZQRECGJUILOV-OAHLLOKOSA-N 0 3 379.457 0.247 20 0 GCADHN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419826819 1194110769 /nfs/dbraw/zinc/11/07/69/1194110769.db2.gz STUGCMPKLLVAIB-INIZCTEOSA-N 0 3 388.468 0.753 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CCN1CCOC ZINC000419930660 1194140438 /nfs/dbraw/zinc/14/04/38/1194140438.db2.gz OKSGXJHUXHXEGL-MSOLQXFVSA-N 0 3 376.501 0.762 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419929706 1194140544 /nfs/dbraw/zinc/14/05/44/1194140544.db2.gz MUBSPUGNUHJWDZ-SFHVURJKSA-N 0 3 387.484 0.828 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000419929798 1194140616 /nfs/dbraw/zinc/14/06/16/1194140616.db2.gz NGAIQYBXSDUXFA-LJQANCHMSA-N 0 3 394.475 0.716 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1)c1ccccc1 ZINC000419934197 1194144609 /nfs/dbraw/zinc/14/46/09/1194144609.db2.gz QWKQAOZDUCUCCW-MRXNPFEDSA-N 0 3 386.477 0.849 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000419940689 1194146428 /nfs/dbraw/zinc/14/64/28/1194146428.db2.gz ZZJGEICHKXYMCE-MRXNPFEDSA-N 0 3 381.436 0.182 20 0 GCADHN CS(=O)(=O)C[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCCC1)c1ccccc1 ZINC000419970710 1194149555 /nfs/dbraw/zinc/14/95/55/1194149555.db2.gz VJJGLHKQHQRJHR-SJORKVTESA-N 0 3 395.525 0.912 20 0 GCADHN CS(=O)(=O)C[C@@H](NC(=O)C(=O)N[C@@H](CN)C1CCCCC1)c1ccccc1 ZINC000419970702 1194149791 /nfs/dbraw/zinc/14/97/91/1194149791.db2.gz VJJGLHKQHQRJHR-DLBZAZTESA-N 0 3 395.525 0.912 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000420025929 1194158791 /nfs/dbraw/zinc/15/87/91/1194158791.db2.gz BURZNUDDBXCWRT-UONOGXRCSA-N 0 3 376.457 0.270 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000420023981 1194158802 /nfs/dbraw/zinc/15/88/02/1194158802.db2.gz AZWWZHMKDUOKMT-JSGCOSHPSA-N 0 3 395.891 0.613 20 0 GCADHN Cc1cccc(CN2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)c1 ZINC000420024000 1194158952 /nfs/dbraw/zinc/15/89/52/1194158952.db2.gz BARYMVNMNZLXJT-SJLPKXTDSA-N 0 3 388.512 0.868 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000420028153 1194159504 /nfs/dbraw/zinc/15/95/04/1194159504.db2.gz DLNZLTPQWOXAQV-UKRRQHHQSA-N 0 3 378.448 0.704 20 0 GCADHN Cc1nc(N2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)sc1C ZINC000420027161 1194159656 /nfs/dbraw/zinc/15/96/56/1194159656.db2.gz CWFJHAGEPLGOAW-TZMCWYRMSA-N 0 3 395.529 0.638 20 0 GCADHN COc1cc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc(OC)c1 ZINC000420028238 1194159809 /nfs/dbraw/zinc/15/98/09/1194159809.db2.gz DBUIYZKZQFGMRS-WBMJQRKESA-N 0 3 379.457 0.891 20 0 GCADHN CCCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420030392 1194160356 /nfs/dbraw/zinc/16/03/56/1194160356.db2.gz GOCTXNUDJKMNAO-GDBMZVCRSA-N 0 3 396.532 0.761 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000420031044 1194160411 /nfs/dbraw/zinc/16/04/11/1194160411.db2.gz GXCVUFUXTUWITI-HUUCEWRRSA-N 0 3 384.521 0.032 20 0 GCADHN C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420028831 1194160470 /nfs/dbraw/zinc/16/04/70/1194160470.db2.gz DPAWQJYBZPWKON-HLLBOEOZSA-N 0 3 389.500 0.516 20 0 GCADHN COc1ccc2c(c1)CCN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000420033826 1194161009 /nfs/dbraw/zinc/16/10/09/1194161009.db2.gz IXCAUXZELCXINE-SUMWQHHRSA-N 0 3 375.469 0.852 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000420032328 1194161123 /nfs/dbraw/zinc/16/11/23/1194161123.db2.gz HVEBNPJVTUXHAI-DANNLKNASA-N 0 3 379.432 0.689 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000420056083 1194163349 /nfs/dbraw/zinc/16/33/49/1194163349.db2.gz IGFJOHSKMMOYAI-CWRNSKLLSA-N 0 3 388.468 0.305 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCCN(c2nccs2)CC1 ZINC000420058585 1194163619 /nfs/dbraw/zinc/16/36/19/1194163619.db2.gz JYRRMQKYKZWTTN-QWHCGFSZSA-N 0 3 381.502 0.411 20 0 GCADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000420059152 1194163691 /nfs/dbraw/zinc/16/36/91/1194163691.db2.gz OSTNVPPPYGYYBY-RBUKOAKNSA-N 0 3 398.463 0.319 20 0 GCADHN CCCn1ccnc1CCCN(C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420056686 1194163910 /nfs/dbraw/zinc/16/39/10/1194163910.db2.gz IUEOOQTUVABUKT-LSDHHAIUSA-N 0 3 379.505 0.913 20 0 GCADHN CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000420059172 1194163983 /nfs/dbraw/zinc/16/39/83/1194163983.db2.gz OXFFBKPNMYATRG-DLBZAZTESA-N 0 3 389.477 0.601 20 0 GCADHN CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000420059173 1194164336 /nfs/dbraw/zinc/16/43/36/1194164336.db2.gz OXFFBKPNMYATRG-IAGOWNOFSA-N 0 3 389.477 0.601 20 0 GCADHN CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000420059174 1194164384 /nfs/dbraw/zinc/16/43/84/1194164384.db2.gz OXFFBKPNMYATRG-IRXDYDNUSA-N 0 3 389.477 0.601 20 0 GCADHN CNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000420060324 1194164416 /nfs/dbraw/zinc/16/44/16/1194164416.db2.gz PWPILIIATZVRGH-MSOLQXFVSA-N 0 3 382.464 0.940 20 0 GCADHN CCc1ccc([C@@H]2COCCN2C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)o1 ZINC000420037182 1194164795 /nfs/dbraw/zinc/16/47/95/1194164795.db2.gz LWKCVUMHLYXYRQ-YUELXQCFSA-N 0 3 379.457 0.971 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000420062940 1194164986 /nfs/dbraw/zinc/16/49/86/1194164986.db2.gz SCQSZFKFEFIADA-FSPWUOQZSA-N 0 3 399.447 0.745 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000420038326 1194165491 /nfs/dbraw/zinc/16/54/91/1194165491.db2.gz MXRMZLQRIRMDPK-QWRGUYRKSA-N 0 3 398.401 0.260 20 0 GCADHN COc1ccccc1N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420039885 1194166003 /nfs/dbraw/zinc/16/60/03/1194166003.db2.gz OJOILDRVQOVKRX-LSDHHAIUSA-N 0 3 390.484 0.573 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000420040299 1194166063 /nfs/dbraw/zinc/16/60/63/1194166063.db2.gz OVEHYBBZZQSEDC-YOEHRIQHSA-N 0 3 397.479 0.986 20 0 GCADHN Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)c1 ZINC000420039801 1194166190 /nfs/dbraw/zinc/16/61/90/1194166190.db2.gz OEPUMTYVOCQKMS-HOCLYGCPSA-N 0 3 390.484 0.989 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000420042467 1194166762 /nfs/dbraw/zinc/16/67/62/1194166762.db2.gz QSQMXZNLPPHLPG-HZUJVAHNSA-N 0 3 389.496 0.768 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000420044517 1194167624 /nfs/dbraw/zinc/16/76/24/1194167624.db2.gz TZRSAPIRVMJXOB-RYRKJORJSA-N 0 3 388.512 0.949 20 0 GCADHN COc1cc2c(cc1OC)CN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000420044807 1194168061 /nfs/dbraw/zinc/16/80/61/1194168061.db2.gz UFADIEAGPRNPFF-SWLSCSKDSA-N 0 3 391.468 0.818 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1)c1ccc2ccccc2c1 ZINC000420045200 1194168154 /nfs/dbraw/zinc/16/81/54/1194168154.db2.gz AHPYSJWSKOYFMH-GOSISDBHSA-N 0 3 380.448 0.693 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000420045526 1194168271 /nfs/dbraw/zinc/16/82/71/1194168271.db2.gz UVZIDIGLUFRASX-DZGCQCFKSA-N 0 3 380.514 0.622 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000420044799 1194168354 /nfs/dbraw/zinc/16/83/54/1194168354.db2.gz UEUKTPDXDQTJIC-UKRRQHHQSA-N 0 3 377.489 0.430 20 0 GCADHN COC(=O)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000420047970 1194168753 /nfs/dbraw/zinc/16/87/53/1194168753.db2.gz WSQHXLQWHPPYMY-IUODEOHRSA-N 0 3 377.441 0.661 20 0 GCADHN CCn1nccc1C1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420046661 1194168817 /nfs/dbraw/zinc/16/88/17/1194168817.db2.gz VRRMKYYRBGUPEY-ZFWWWQNUSA-N 0 3 377.489 0.838 20 0 GCADHN COC(=O)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000420047972 1194169085 /nfs/dbraw/zinc/16/90/85/1194169085.db2.gz WSQHXLQWHPPYMY-WFASDCNBSA-N 0 3 377.441 0.661 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000420050753 1194169596 /nfs/dbraw/zinc/16/95/96/1194169596.db2.gz ZOVJQHWSUHMSOK-APHBMKBZSA-N 0 3 379.432 0.955 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCSC[C@@H]1c1cnn(C)c1 ZINC000420053063 1194170102 /nfs/dbraw/zinc/17/01/02/1194170102.db2.gz GBUZUDXYOLSLMD-IACUBPJLSA-N 0 3 381.502 0.266 20 0 GCADHN COCCN1CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1=O ZINC000420056363 1194170703 /nfs/dbraw/zinc/17/07/03/1194170703.db2.gz MNBZGTAOGGNKPC-GOSISDBHSA-N 0 3 398.463 0.273 20 0 GCADHN CS(=O)(=O)C[C@@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)c1ccccc1 ZINC000420075817 1194173174 /nfs/dbraw/zinc/17/31/74/1194173174.db2.gz UDUVIRSBKIWQBO-HZPDHXFCSA-N 0 3 381.498 0.522 20 0 GCADHN COC[C@@]1(CO)CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000420076630 1194173804 /nfs/dbraw/zinc/17/38/04/1194173804.db2.gz MJAVFTMWIHRSAR-RXVVDRJESA-N 0 3 385.464 0.813 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000420066467 1194176084 /nfs/dbraw/zinc/17/60/84/1194176084.db2.gz QSGIUEFTTPWRHR-XIRDDKMYSA-N 0 3 397.516 0.792 20 0 GCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(F)(F)CN ZINC000420166636 1194198913 /nfs/dbraw/zinc/19/89/13/1194198913.db2.gz IYTDQPAICBXGKA-HNNXBMFYSA-N 0 3 383.443 0.605 20 0 GCADHN Cc1ccc(OC2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1C ZINC000420197502 1194201976 /nfs/dbraw/zinc/20/19/76/1194201976.db2.gz MAVLMMGIWPAMLZ-SFHVURJKSA-N 0 3 375.469 0.778 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000420198017 1194202545 /nfs/dbraw/zinc/20/25/45/1194202545.db2.gz KAXKOMSREPTYDW-DOMZBBRYSA-N 0 3 385.823 0.484 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000420198870 1194202895 /nfs/dbraw/zinc/20/28/95/1194202895.db2.gz MUIFGPVDQXTMIH-LJQANCHMSA-N 0 3 382.464 0.758 20 0 GCADHN C[NH+]1CCN(Cc2cccc(NC(=O)CNC(=O)c3ncccc3[O-])c2)CC1 ZINC000509947910 1194203107 /nfs/dbraw/zinc/20/31/07/1194203107.db2.gz GBOVITHZIYOKGM-UHFFFAOYSA-N 0 3 383.452 0.903 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000420199005 1194203216 /nfs/dbraw/zinc/20/32/16/1194203216.db2.gz MYUKJNGGQBOCEN-HUUCEWRRSA-N 0 3 375.425 0.226 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000420203041 1194204210 /nfs/dbraw/zinc/20/42/10/1194204210.db2.gz PZPRVVXRHSVZDA-WFASDCNBSA-N 0 3 391.859 0.984 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000420203039 1194204306 /nfs/dbraw/zinc/20/43/06/1194204306.db2.gz PZPRVVXRHSVZDA-IUODEOHRSA-N 0 3 391.859 0.984 20 0 GCADHN COc1cccc(CN(C[C@H]2CCCO2)C(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000420206606 1194204730 /nfs/dbraw/zinc/20/47/30/1194204730.db2.gz SQGASVHHTUKWGT-QZTJIDSGSA-N 0 3 391.468 0.307 20 0 GCADHN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000420206607 1194204957 /nfs/dbraw/zinc/20/49/57/1194204957.db2.gz SQGASVHHTUKWGT-ROUUACIJSA-N 0 3 391.468 0.307 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000420206173 1194205399 /nfs/dbraw/zinc/20/53/99/1194205399.db2.gz SLFSDLMRMWZVPV-OCCSQVGLSA-N 0 3 390.415 0.778 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000420187225 1194205929 /nfs/dbraw/zinc/20/59/29/1194205929.db2.gz BKFZCLWTCNEFAL-AWEZNQCLSA-N 0 3 383.395 0.439 20 0 GCADHN COc1ccc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CNCCO2)c(OC)c1 ZINC000420191477 1194206899 /nfs/dbraw/zinc/20/68/99/1194206899.db2.gz HGXMHQXCZAUFGK-HOCLYGCPSA-N 0 3 377.441 0.472 20 0 GCADHN CCCN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000420190006 1194207040 /nfs/dbraw/zinc/20/70/40/1194207040.db2.gz FKLMPNKYHIIQKK-WBVHZDCISA-N 0 3 390.484 0.747 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCN1Cc1ccccc1 ZINC000420194305 1194208054 /nfs/dbraw/zinc/20/80/54/1194208054.db2.gz JRTSRYMVSDUAPW-RBUKOAKNSA-N 0 3 388.512 0.604 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000420196156 1194208875 /nfs/dbraw/zinc/20/88/75/1194208875.db2.gz LDRRXHMVYQJLLA-HUUCEWRRSA-N 0 3 399.394 0.293 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000420209843 1194212150 /nfs/dbraw/zinc/21/21/50/1194212150.db2.gz VTKBDXHSGAXWIZ-LJQANCHMSA-N 0 3 396.491 0.589 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC000420210965 1194212645 /nfs/dbraw/zinc/21/26/45/1194212645.db2.gz WQKXFKGSPXDONH-KRWDZBQOSA-N 0 3 383.448 0.672 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000420705127 1194255754 /nfs/dbraw/zinc/25/57/54/1194255754.db2.gz JTXWLHMZRPCBCI-JKSUJKDBSA-N 0 3 394.541 0.790 20 0 GCADHN COCC[NH+]1CCC(NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000502037256 1194259648 /nfs/dbraw/zinc/25/96/48/1194259648.db2.gz OLOWAQJHNUBCPK-LBPRGKRZSA-N 0 3 388.490 0.185 20 0 GCADHN COC1([C@H](C)NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCOCC1 ZINC000420811592 1194265262 /nfs/dbraw/zinc/26/52/62/1194265262.db2.gz UFMNQBDRTZTDFO-JKSUJKDBSA-N 0 3 384.521 0.812 20 0 GCADHN COC1([C@H](C)NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCOCC1 ZINC000420835487 1194266688 /nfs/dbraw/zinc/26/66/88/1194266688.db2.gz INZACMAGPTZEEP-WMZOPIPTSA-N 0 3 391.512 0.976 20 0 GCADHN COC[C@]1(CO)CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000420845123 1194268217 /nfs/dbraw/zinc/26/82/17/1194268217.db2.gz BAUXOCOAVCDJLO-FXAWDEMLSA-N 0 3 377.485 0.133 20 0 GCADHN CCCN1C[C@H](CNC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1=O ZINC000420849176 1194268537 /nfs/dbraw/zinc/26/85/37/1194268537.db2.gz YJYRTBXOHVTQJG-ZWKOTPCHSA-N 0 3 388.512 0.650 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1)c1ccccc1 ZINC000420857917 1194269363 /nfs/dbraw/zinc/26/93/63/1194269363.db2.gz IBHMDSWRWUFKSB-CGTJXYLNSA-N 0 3 377.485 0.794 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)c1nnnn1-c1ccccc1 ZINC000502111402 1194269433 /nfs/dbraw/zinc/26/94/33/1194269433.db2.gz MDEFUQOFTOLNAM-NVXWUHKLSA-N 0 3 397.483 0.926 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)c1nnnn1-c1ccccc1 ZINC000502111401 1194269608 /nfs/dbraw/zinc/26/96/08/1194269608.db2.gz MDEFUQOFTOLNAM-DOTOQJQBSA-N 0 3 397.483 0.926 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000502127334 1194270425 /nfs/dbraw/zinc/27/04/25/1194270425.db2.gz SFTGJRDMAYOESB-HNNXBMFYSA-N 0 3 387.488 0.886 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)c1nnnn1-c1ccccc1 ZINC000502135837 1194271574 /nfs/dbraw/zinc/27/15/74/1194271574.db2.gz BQZKJHQJOOCONR-UONOGXRCSA-N 0 3 383.456 0.606 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000502143932 1194272603 /nfs/dbraw/zinc/27/26/03/1194272603.db2.gz PDBGTVIGCPRBCR-OAHLLOKOSA-N 0 3 385.472 0.782 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000502143931 1194272742 /nfs/dbraw/zinc/27/27/42/1194272742.db2.gz PDBGTVIGCPRBCR-HNNXBMFYSA-N 0 3 385.472 0.782 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000420918427 1194274800 /nfs/dbraw/zinc/27/48/00/1194274800.db2.gz WDOQLGKNWSGHGS-LJQANCHMSA-N 0 3 388.512 0.688 20 0 GCADHN C[C@@H]1C[C@@H](CO)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420951399 1194277105 /nfs/dbraw/zinc/27/71/05/1194277105.db2.gz XCQBYFPFCXWJMO-IAGOWNOFSA-N 0 3 395.525 0.470 20 0 GCADHN C[C@H]1C[C@H](CO)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420951400 1194277337 /nfs/dbraw/zinc/27/73/37/1194277337.db2.gz XCQBYFPFCXWJMO-IRXDYDNUSA-N 0 3 395.525 0.470 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)c1 ZINC000268765509 1194277955 /nfs/dbraw/zinc/27/79/55/1194277955.db2.gz BLQHGNYLYHQLRR-INIZCTEOSA-N 0 3 381.498 0.931 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000502212519 1194281787 /nfs/dbraw/zinc/28/17/87/1194281787.db2.gz KCEGYHROAKQKJF-UHFFFAOYSA-N 0 3 398.485 0.458 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(Cc2c(C)nn(CC(=O)OC(C)C)c2C)C1 ZINC000414494156 1194288716 /nfs/dbraw/zinc/28/87/16/1194288716.db2.gz UWYDBLVTIAAASR-MRXNPFEDSA-N 0 3 380.489 0.988 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502278753 1194291427 /nfs/dbraw/zinc/29/14/27/1194291427.db2.gz NEIDAINAISFPDO-CVEARBPZSA-N 0 3 376.457 0.439 20 0 GCADHN CCn1nnc(C)c1CNC[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CC1 ZINC001269096432 1194298946 /nfs/dbraw/zinc/29/89/46/1194298946.db2.gz YTLWIRWDKJMUEG-NBOOPKSLSA-N 0 3 377.489 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1194317020 /nfs/dbraw/zinc/31/70/20/1194317020.db2.gz XHQUYTMMMQAXMN-UHFFFAOYSA-N 0 3 376.413 0.871 20 0 GCADHN COc1ccc(Cn2ccc(NC(=O)C(=O)N(C)C[C@H]3CCCN3C)n2)cc1 ZINC000421305060 1194321470 /nfs/dbraw/zinc/32/14/70/1194321470.db2.gz UKESYQUMRZZGDS-MRXNPFEDSA-N 0 3 385.468 1.431 20 0 GCADHN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421309526 1194322344 /nfs/dbraw/zinc/32/23/44/1194322344.db2.gz ZZGVGOIMWFPAOQ-HNNXBMFYSA-N 0 3 398.467 0.771 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)ccc1F ZINC000421293491 1194323813 /nfs/dbraw/zinc/32/38/13/1194323813.db2.gz DLAONFPQTXIUNU-GFCCVEGCSA-N 0 3 386.449 0.225 20 0 GCADHN CCc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1S(N)(=O)=O ZINC000421295322 1194324180 /nfs/dbraw/zinc/32/41/80/1194324180.db2.gz IBXYTZRFYKEJFL-CQSZACIVSA-N 0 3 382.486 0.388 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000421298108 1194324921 /nfs/dbraw/zinc/32/49/21/1194324921.db2.gz MLGCITQZGAAKIU-HNNXBMFYSA-N 0 3 382.486 0.939 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000421298109 1194325084 /nfs/dbraw/zinc/32/50/84/1194325084.db2.gz MLGCITQZGAAKIU-OAHLLOKOSA-N 0 3 382.486 0.939 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000421299086 1194325829 /nfs/dbraw/zinc/32/58/29/1194325829.db2.gz NIGSQQPABWVBDG-HNNXBMFYSA-N 0 3 394.497 0.618 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000421302328 1194326433 /nfs/dbraw/zinc/32/64/33/1194326433.db2.gz QREDWLAIFZBYRV-CQSZACIVSA-N 0 3 382.486 0.428 20 0 GCADHN C[C@H]1C[C@H](NC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CN1C1CC1 ZINC000549953595 1194327311 /nfs/dbraw/zinc/32/73/11/1194327311.db2.gz NSISELYQHRQYAN-IRXDYDNUSA-N 0 3 392.544 0.879 20 0 GCADHN C[C@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@@H]3CCCN3C)cn2)CCO1 ZINC000421405593 1194336137 /nfs/dbraw/zinc/33/61/37/1194336137.db2.gz IFTXOBIGPSZFFY-RDJZCZTQSA-N 0 3 389.500 0.476 20 0 GCADHN CCCn1c(N)c(C(=O)CN2C[C@@H](OC)C[C@H]2CN2CCCC2)c(=O)[nH]c1=O 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JSXFQXKORCSUPR-MRXNPFEDSA-N 0 3 381.498 0.874 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000421701885 1194359986 /nfs/dbraw/zinc/35/99/86/1194359986.db2.gz ITBMWPVMGNZHNP-INIZCTEOSA-N 0 3 381.498 0.874 20 0 GCADHN COc1cccc2c1C[C@@H](NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C2 ZINC000421727533 1194360742 /nfs/dbraw/zinc/36/07/42/1194360742.db2.gz YCMDEKGVFMIMTH-IFXJQAMLSA-N 0 3 377.510 0.832 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000502832681 1194361121 /nfs/dbraw/zinc/36/11/21/1194361121.db2.gz ISLHLNUURRRBGA-LSDHHAIUSA-N 0 3 382.486 0.380 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000502842144 1194361668 /nfs/dbraw/zinc/36/16/68/1194361668.db2.gz QAOSBKGEJLYSBD-JSGCOSHPSA-N 0 3 375.408 0.553 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000502835766 1194361882 /nfs/dbraw/zinc/36/18/82/1194361882.db2.gz GWUCMWAQNFPBOY-WQVCFCJDSA-N 0 3 378.448 0.623 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N(C)CC(=O)Nc1cccc(OC)c1 ZINC000502858621 1194363293 /nfs/dbraw/zinc/36/32/93/1194363293.db2.gz SPUKNIHRPXLIIV-HZPDHXFCSA-N 0 3 376.457 0.596 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000502866928 1194364422 /nfs/dbraw/zinc/36/44/22/1194364422.db2.gz UOLDXKPXIDEORG-KCPJHIHWSA-N 0 3 394.497 0.116 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000502898053 1194366048 /nfs/dbraw/zinc/36/60/48/1194366048.db2.gz DPHCXVXXKUGDMV-DOTOQJQBSA-N 0 3 397.545 0.781 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000502926985 1194368322 /nfs/dbraw/zinc/36/83/22/1194368322.db2.gz VHXSJBLWKYYJLB-ZBFHGGJFSA-N 0 3 385.534 0.809 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000502942351 1194369311 /nfs/dbraw/zinc/36/93/11/1194369311.db2.gz VYPMMYAEEWMFSL-OAHLLOKOSA-N 0 3 397.501 0.126 20 0 GCADHN CC(C)Oc1cc(C(N)=O)ccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000422030828 1194377664 /nfs/dbraw/zinc/37/76/64/1194377664.db2.gz BAAPBBNVGIPDEZ-CQSZACIVSA-N 0 3 376.457 0.921 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000422105285 1194387085 /nfs/dbraw/zinc/38/70/85/1194387085.db2.gz PWGDBFYAEZDGNT-MRXNPFEDSA-N 0 3 378.542 0.987 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000422087445 1194388102 /nfs/dbraw/zinc/38/81/02/1194388102.db2.gz QMRBJNLUOAGFLY-MRXNPFEDSA-N 0 3 379.432 0.904 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000422123912 1194389753 /nfs/dbraw/zinc/38/97/53/1194389753.db2.gz YQGFTOGRVDKOBI-GOSISDBHSA-N 0 3 398.511 0.531 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000422123913 1194390047 /nfs/dbraw/zinc/39/00/47/1194390047.db2.gz YQGFTOGRVDKOBI-SFHVURJKSA-N 0 3 398.511 0.531 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000422111509 1194392445 /nfs/dbraw/zinc/39/24/45/1194392445.db2.gz DFRDZFKHSUPGAS-FUHWJXTLSA-N 0 3 375.469 0.845 20 0 GCADHN COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422111456 1194392646 /nfs/dbraw/zinc/39/26/46/1194392646.db2.gz DEJJSTVGRLBFFA-INIZCTEOSA-N 0 3 391.468 0.943 20 0 GCADHN CC[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H](CC)O1 ZINC000422112530 1194392654 /nfs/dbraw/zinc/39/26/54/1194392654.db2.gz FINBNKJDXZWYDR-IRXDYDNUSA-N 0 3 394.516 0.169 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)n1 ZINC000422113920 1194393290 /nfs/dbraw/zinc/39/32/90/1194393290.db2.gz IEOXVDRTJVGGMQ-CYBMUJFWSA-N 0 3 380.518 0.302 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H](NC(C)=O)C2)c1 ZINC000422115427 1194393852 /nfs/dbraw/zinc/39/38/52/1194393852.db2.gz JTVBOZUWWKLKRP-QGZVFWFLSA-N 0 3 390.484 0.322 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000422121839 1194395798 /nfs/dbraw/zinc/39/57/98/1194395798.db2.gz RSDBMNHHWWNQGD-AWEZNQCLSA-N 0 3 383.514 0.637 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@H](C)O1 ZINC000422145322 1194399134 /nfs/dbraw/zinc/39/91/34/1194399134.db2.gz ULNFTKRJEVEGSO-XDNAFOTISA-N 0 3 380.533 0.639 20 0 GCADHN CO[C@H]1C[C@@H](CO)N(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000503176658 1194401950 /nfs/dbraw/zinc/40/19/50/1194401950.db2.gz JFILHXKZBLBJIN-HOCLYGCPSA-N 0 3 392.456 0.101 20 0 GCADHN CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](CO)C(C)C ZINC000503183770 1194403773 /nfs/dbraw/zinc/40/37/73/1194403773.db2.gz VTWAASWLWKAUKI-OAHLLOKOSA-N 0 3 386.518 0.725 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000271700551 1194404716 /nfs/dbraw/zinc/40/47/16/1194404716.db2.gz UBHMRSZVQTVRBC-CYBMUJFWSA-N 0 3 376.461 0.577 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(Cl)n1 ZINC000271716212 1194406659 /nfs/dbraw/zinc/40/66/59/1194406659.db2.gz YOSODCSQVDXEGA-LBPRGKRZSA-N 0 3 383.880 0.682 20 0 GCADHN CC[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C[C@@H]1O ZINC000271735273 1194408181 /nfs/dbraw/zinc/40/81/81/1194408181.db2.gz PLHJIOGPIQONQK-WFASDCNBSA-N 0 3 390.440 0.324 20 0 GCADHN O=S1(=O)C[C@@H](NC2CCN(Cc3ccccc3)CC2)[C@H](N2CCOCC2)C1 ZINC000271841862 1194417089 /nfs/dbraw/zinc/41/70/89/1194417089.db2.gz TVXUIJCBERJAQY-WOJBJXKFSA-N 0 3 393.553 0.738 20 0 GCADHN CN1CCc2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cc21 ZINC000271878276 1194420112 /nfs/dbraw/zinc/42/01/12/1194420112.db2.gz KZFNUTTVQULIOP-KRWDZBQOSA-N 0 3 399.495 0.382 20 0 GCADHN COc1cccc([C@H](CNC(=O)NCC(=O)N2CCOCC2)N2CCCC2)c1 ZINC000271923404 1194424147 /nfs/dbraw/zinc/42/41/47/1194424147.db2.gz XAVXQFNAKRAWHF-SFHVURJKSA-N 0 3 390.484 0.990 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)[C@@H]2C1 ZINC000272284240 1194446412 /nfs/dbraw/zinc/44/64/12/1194446412.db2.gz CBAAXHADXBPGCL-FUHWJXTLSA-N 0 3 399.495 0.494 20 0 GCADHN COC[C@H](NCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C1CC1 ZINC000272365697 1194453959 /nfs/dbraw/zinc/45/39/59/1194453959.db2.gz SUXJKYVHLVJPOV-KXBFYZLASA-N 0 3 390.440 0.508 20 0 GCADHN COc1ccc([C@H](NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000272456860 1194462651 /nfs/dbraw/zinc/46/26/51/1194462651.db2.gz UKGVLQNDTKSNAE-RHSMWYFYSA-N 0 3 397.497 0.995 20 0 GCADHN CCN1CCCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000272482454 1194465426 /nfs/dbraw/zinc/46/54/26/1194465426.db2.gz QSLIMOVPQMFQIA-DOTOQJQBSA-N 0 3 383.514 0.577 20 0 GCADHN CCOc1ccc(S(=O)(=O)NCC(=O)N2C[C@H](C)NC[C@@H]2C)cc1OCC ZINC000272502477 1194467455 /nfs/dbraw/zinc/46/74/55/1194467455.db2.gz DTAYULCMVBZLGU-KBPBESRZSA-N 0 3 399.513 0.971 20 0 GCADHN CCN1CCN(CCNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 ZINC000272521226 1194468488 /nfs/dbraw/zinc/46/84/88/1194468488.db2.gz VUTVTLQGHACJSF-HZPDHXFCSA-N 0 3 378.498 0.444 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2)CC1=O ZINC000653351645 1194471644 /nfs/dbraw/zinc/47/16/44/1194471644.db2.gz GGOBCJFAOWADPI-UHFFFAOYSA-N 0 3 380.876 0.231 20 0 GCADHN COc1ccc([C@@H](CNC(=O)NCCN2CCNC(=O)C2)N2CCCC2)cc1 ZINC000272598463 1194476889 /nfs/dbraw/zinc/47/68/89/1194476889.db2.gz DSOSPURSGUOIFF-GOSISDBHSA-N 0 3 389.500 0.563 20 0 GCADHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000272611188 1194477803 /nfs/dbraw/zinc/47/78/03/1194477803.db2.gz ZLGLICLPVZDAKD-NSHDSACASA-N 0 3 395.485 0.385 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)N(C)C ZINC000272638199 1194481425 /nfs/dbraw/zinc/48/14/25/1194481425.db2.gz BVAMBEJHWWWBAY-LBPRGKRZSA-N 0 3 375.429 0.669 20 0 GCADHN COCCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000272654692 1194483844 /nfs/dbraw/zinc/48/38/44/1194483844.db2.gz FSKAUYDYOCNZNO-CQSZACIVSA-N 0 3 381.498 0.992 20 0 GCADHN C[C@@H](NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C1=CCN(C)CC1 ZINC000272742222 1194494431 /nfs/dbraw/zinc/49/44/31/1194494431.db2.gz RAVSZLSZFYSYLZ-CQSZACIVSA-N 0 3 376.461 0.514 20 0 GCADHN CC(C)[C@@H](CO)NCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000272740081 1194494713 /nfs/dbraw/zinc/49/47/13/1194494713.db2.gz GTKNDKUNURRWFY-DNVCBOLYSA-N 0 3 376.457 0.567 20 0 GCADHN COc1cccc(C(=O)NCC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000272784279 1194501412 /nfs/dbraw/zinc/50/14/12/1194501412.db2.gz FLWHURQJJIBVPF-QGZVFWFLSA-N 0 3 390.484 0.484 20 0 GCADHN C[C@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C1=CCN(C)CC1 ZINC000272846024 1194509865 /nfs/dbraw/zinc/50/98/65/1194509865.db2.gz GWTGBYMZSJMBNE-AWEZNQCLSA-N 0 3 397.501 0.482 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)C2=CCN(C)CC2)[C@H](C)O)cc1 ZINC000272999040 1194528996 /nfs/dbraw/zinc/52/89/96/1194528996.db2.gz QZNXETWTASPYTO-VKJFTORMSA-N 0 3 395.525 0.789 20 0 GCADHN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NC[C@H]2CCCN2C)cc1C ZINC000273016453 1194531024 /nfs/dbraw/zinc/53/10/24/1194531024.db2.gz SFYFLTZKTRBEGM-RYRKJORJSA-N 0 3 395.525 0.638 20 0 GCADHN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@@H]2CCCN2C)cc1C ZINC000273016446 1194531209 /nfs/dbraw/zinc/53/12/09/1194531209.db2.gz SFYFLTZKTRBEGM-JZXOWHBKSA-N 0 3 395.525 0.638 20 0 GCADHN COc1cc(CN[C@H](C)C[S@](C)=O)ccc1OCC(=O)N1CCOCC1 ZINC000273059308 1194535383 /nfs/dbraw/zinc/53/53/83/1194535383.db2.gz LZDKSUDUMLNAQY-PTFIGZPYSA-N 0 3 384.498 0.789 20 0 GCADHN C[C@H](NC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)C1=CCN(C)CC1 ZINC000273070602 1194536701 /nfs/dbraw/zinc/53/67/01/1194536701.db2.gz ZKSXYXPGVCVLMC-CABCVRRESA-N 0 3 384.488 0.995 20 0 GCADHN CN(C)CCN(CCCc1ccccc1)C(=O)NCCN1CCNC(=O)C1 ZINC000273071606 1194536826 /nfs/dbraw/zinc/53/68/26/1194536826.db2.gz ZPQXVHQWWZVFEJ-UHFFFAOYSA-N 0 3 375.517 0.624 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1=O ZINC000273134711 1194541517 /nfs/dbraw/zinc/54/15/17/1194541517.db2.gz VLYANDBHZZNVDL-DOTOQJQBSA-N 0 3 387.484 0.099 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1=O ZINC000273134714 1194541613 /nfs/dbraw/zinc/54/16/13/1194541613.db2.gz VLYANDBHZZNVDL-NVXWUHKLSA-N 0 3 387.484 0.099 20 0 GCADHN COC(=O)COc1ccc(N(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000273246460 1194548979 /nfs/dbraw/zinc/54/89/79/1194548979.db2.gz NRZZJDJTTBLVHK-AWEZNQCLSA-N 0 3 377.441 0.611 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C1 ZINC000273259328 1194550201 /nfs/dbraw/zinc/55/02/01/1194550201.db2.gz BVJXRUPWVYJSLY-HNNXBMFYSA-N 0 3 387.484 0.998 20 0 GCADHN CCCCn1c(N)c(N(CC)C(=O)CN[C@H](COC)C2CC2)c(=O)[nH]c1=O ZINC000273275417 1194551264 /nfs/dbraw/zinc/55/12/64/1194551264.db2.gz KFBQUQHFHDUNJF-CYBMUJFWSA-N 0 3 381.477 0.699 20 0 GCADHN COc1ccc(NC(=O)CNC(C)(C)CC(N)=O)cc1S(=O)(=O)N(C)C ZINC000273400063 1194561214 /nfs/dbraw/zinc/56/12/14/1194561214.db2.gz GQBWHXUAEQRFBS-UHFFFAOYSA-N 0 3 386.474 0.128 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2ncc(F)cn2)CC1)CN1CCN(C)CC1 ZINC000273662693 1194581118 /nfs/dbraw/zinc/58/11/18/1194581118.db2.gz KJGTWATZPRCQQQ-OAHLLOKOSA-N 0 3 379.484 0.331 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000261864992 1194586289 /nfs/dbraw/zinc/58/62/89/1194586289.db2.gz ZXQCODUYKTYHNP-IBGZPJMESA-N 0 3 393.495 0.928 20 0 GCADHN Cn1cc(-c2nc(-c3ccc(N4CCCN(C)CC4)nc3)no2)c(=O)[nH]c1=O ZINC000273797190 1194589498 /nfs/dbraw/zinc/58/94/98/1194589498.db2.gz HMRGAXJQDMSGAK-UHFFFAOYSA-N 0 3 383.412 0.740 20 0 GCADHN COC(=O)c1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000422250588 1194594062 /nfs/dbraw/zinc/59/40/62/1194594062.db2.gz WXCVPSRCEJLHAZ-AWEZNQCLSA-N 0 3 394.497 0.983 20 0 GCADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000422256802 1194594867 /nfs/dbraw/zinc/59/48/67/1194594867.db2.gz GHIINVGTVRJPHR-DLBZAZTESA-N 0 3 398.548 0.029 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1)N1CCC(C)CC1 ZINC000422270972 1194597305 /nfs/dbraw/zinc/59/73/05/1194597305.db2.gz PHYKUUWNBUCWSA-INIZCTEOSA-N 0 3 383.533 0.907 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000422270790 1194597329 /nfs/dbraw/zinc/59/73/29/1194597329.db2.gz PAWMGKZVISHPLH-OAHLLOKOSA-N 0 3 381.498 0.519 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)C1 ZINC000422274711 1194597877 /nfs/dbraw/zinc/59/78/77/1194597877.db2.gz YWYHOIMUOVSGEY-INIZCTEOSA-N 0 3 395.525 0.908 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000422280298 1194599843 /nfs/dbraw/zinc/59/98/43/1194599843.db2.gz GVZOBLVGEXZKFZ-ZWKOTPCHSA-N 0 3 386.496 0.845 20 0 GCADHN CCN(Cc1occc1C)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000422300426 1194608519 /nfs/dbraw/zinc/60/85/19/1194608519.db2.gz TYQQDLKPCRWFIC-INIZCTEOSA-N 0 3 392.500 0.995 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000422303086 1194610333 /nfs/dbraw/zinc/61/03/33/1194610333.db2.gz HGMDYJVHTRJYGQ-OAHLLOKOSA-N 0 3 381.498 0.697 20 0 GCADHN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(C2CCCC2)CC1 ZINC000027119903 1194612849 /nfs/dbraw/zinc/61/28/49/1194612849.db2.gz KAFSWNIOGSAGOS-UHFFFAOYSA-N 0 3 392.525 0.783 20 0 GCADHN CC1(C)CCC[C@H](CNC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000422321749 1194613441 /nfs/dbraw/zinc/61/34/41/1194613441.db2.gz CPSIYDPVDHLOQM-SFHVURJKSA-N 0 3 396.576 0.825 20 0 GCADHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000422326665 1194614775 /nfs/dbraw/zinc/61/47/75/1194614775.db2.gz NUJGDZLEQOCJTO-MRXNPFEDSA-N 0 3 396.557 0.591 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000422311590 1194617078 /nfs/dbraw/zinc/61/70/78/1194617078.db2.gz YRFRARDUUUAAOP-SJORKVTESA-N 0 3 378.517 0.981 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000422311589 1194617101 /nfs/dbraw/zinc/61/71/01/1194617101.db2.gz YRFRARDUUUAAOP-IRXDYDNUSA-N 0 3 378.517 0.981 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN(C(COC)COC)CC1 ZINC000422331293 1194618125 /nfs/dbraw/zinc/61/81/25/1194618125.db2.gz XAAWZMQULQRSPV-KRWDZBQOSA-N 0 3 398.548 0.173 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000503307408 1194626492 /nfs/dbraw/zinc/62/64/92/1194626492.db2.gz DYJQVCPVLAIUKV-QGZVFWFLSA-N 0 3 395.529 0.695 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000503307408 1194626494 /nfs/dbraw/zinc/62/64/94/1194626494.db2.gz DYJQVCPVLAIUKV-QGZVFWFLSA-N 0 3 395.529 0.695 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000422388735 1194632282 /nfs/dbraw/zinc/63/22/82/1194632282.db2.gz MOBWYIRLYUEFHS-STQMWFEESA-N 0 3 392.422 0.597 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000422390687 1194632780 /nfs/dbraw/zinc/63/27/80/1194632780.db2.gz RPUYGVMHKFOBMM-HOCLYGCPSA-N 0 3 390.459 0.990 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C1 ZINC000422391022 1194633395 /nfs/dbraw/zinc/63/33/95/1194633395.db2.gz SVXHEKBXXJAPHK-HZPDHXFCSA-N 0 3 376.505 0.446 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000422391576 1194633449 /nfs/dbraw/zinc/63/34/49/1194633449.db2.gz VWNNYUXJAUREOT-IAGOWNOFSA-N 0 3 378.517 0.979 20 0 GCADHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000422395192 1194635198 /nfs/dbraw/zinc/63/51/98/1194635198.db2.gz FNSFIOTYOXEXEM-MOPGFXCFSA-N 0 3 388.512 0.996 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N(C)C[C@H]2CCCN2C)C1=O ZINC000422426567 1194637851 /nfs/dbraw/zinc/63/78/51/1194637851.db2.gz BRTSAXZXBULXBS-HUUCEWRRSA-N 0 3 390.488 0.067 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000422406030 1194638906 /nfs/dbraw/zinc/63/89/06/1194638906.db2.gz ZFYYHEHCYNLSLX-SQNIBIBYSA-N 0 3 377.485 0.071 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000422412533 1194640286 /nfs/dbraw/zinc/64/02/86/1194640286.db2.gz JFQZTENHKBPLCK-LSDHHAIUSA-N 0 3 380.514 0.669 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1)CCC2 ZINC000422428205 1194640844 /nfs/dbraw/zinc/64/08/44/1194640844.db2.gz PUCDRFFUWYVYLP-IAGOWNOFSA-N 0 3 391.516 0.964 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000422431557 1194644019 /nfs/dbraw/zinc/64/40/19/1194644019.db2.gz LGFHUZIYXWUERT-HNNXBMFYSA-N 0 3 383.533 0.907 20 0 GCADHN COCC(COC)N1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000422436614 1194644879 /nfs/dbraw/zinc/64/48/79/1194644879.db2.gz WKOBDCONERQONI-KRWDZBQOSA-N 0 3 398.548 0.029 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C2CC2)C2CCC2)CC1 ZINC000422466088 1194645916 /nfs/dbraw/zinc/64/59/16/1194645916.db2.gz OASZZSSAPUEARQ-DLBZAZTESA-N 0 3 376.501 0.446 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1ccccc1S(C)(=O)=O)N1CCC[C@@H](C)C1 ZINC000422529490 1194662692 /nfs/dbraw/zinc/66/26/92/1194662692.db2.gz LLJMUHIHROEFBM-CABCVRRESA-N 0 3 395.525 0.943 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000422538100 1194664904 /nfs/dbraw/zinc/66/49/04/1194664904.db2.gz YYMKTOSQYQDYIW-UHFFFAOYSA-N 0 3 383.514 0.753 20 0 GCADHN CCOC[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000503440296 1194667941 /nfs/dbraw/zinc/66/79/41/1194667941.db2.gz DNWZJTADMQOUQX-IKGGRYGDSA-N 0 3 390.546 0.832 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000503457047 1194670282 /nfs/dbraw/zinc/67/02/82/1194670282.db2.gz XGDDDGIITVDIBQ-UHFFFAOYSA-N 0 3 393.532 0.729 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000422579830 1194671298 /nfs/dbraw/zinc/67/12/98/1194671298.db2.gz IPHMVXKBQJMKKX-UHFFFAOYSA-N 0 3 395.500 0.854 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H](C)O1 ZINC000503468014 1194674561 /nfs/dbraw/zinc/67/45/61/1194674561.db2.gz HLHSQDPJHJSXRE-QZTJIDSGSA-N 0 3 395.548 0.435 20 0 GCADHN CCCN1C[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1=O ZINC000422609112 1194674605 /nfs/dbraw/zinc/67/46/05/1194674605.db2.gz WFLYGSBFNWYRIA-DLBZAZTESA-N 0 3 378.517 0.838 20 0 GCADHN COc1cccc(CC(=O)N2CCN(C[C@@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000414682663 1194689291 /nfs/dbraw/zinc/68/92/91/1194689291.db2.gz ACUCHMHUKRIVRR-SFHVURJKSA-N 0 3 388.512 0.579 20 0 GCADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCN1C(=O)CNC1=O ZINC000503710816 1194712913 /nfs/dbraw/zinc/71/29/13/1194712913.db2.gz YOARODXBMYEMSC-UHFFFAOYSA-N 0 3 381.864 0.965 20 0 GCADHN CC(=O)NCC(=O)NCC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000503733883 1194715237 /nfs/dbraw/zinc/71/52/37/1194715237.db2.gz HSPWJZXDCGKIGC-UHFFFAOYSA-N 0 3 375.473 0.408 20 0 GCADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000503766275 1194717018 /nfs/dbraw/zinc/71/70/18/1194717018.db2.gz VFCUDRGBRNFPRS-WBVHZDCISA-N 0 3 394.541 0.740 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)C(=O)N3C[C@H](C)N[C@@H](C)C3)CC2)cc1 ZINC000423046936 1194718946 /nfs/dbraw/zinc/71/89/46/1194718946.db2.gz GIQNIMKMONKQBN-IRXDYDNUSA-N 0 3 388.512 0.938 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](SC)C2)CC1 ZINC000503802378 1194721948 /nfs/dbraw/zinc/72/19/48/1194721948.db2.gz XYYTZMKVLFSWOY-JKSUJKDBSA-N 0 3 398.573 0.789 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cn3c(n2)CCCC3)CC1 ZINC000503826615 1194722211 /nfs/dbraw/zinc/72/22/11/1194722211.db2.gz GHNDRGQCYOYHCZ-CQSZACIVSA-N 0 3 381.502 0.147 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cn3c(n2)CCCC3)CC1 ZINC000503826614 1194722469 /nfs/dbraw/zinc/72/24/69/1194722469.db2.gz GHNDRGQCYOYHCZ-AWEZNQCLSA-N 0 3 381.502 0.147 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C[C@@H]1C[NH3+] ZINC000423121662 1194728689 /nfs/dbraw/zinc/72/86/89/1194728689.db2.gz AYYWQGJVARMOJF-HOCLYGCPSA-N 0 3 388.468 0.120 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](Cc4ccccc4)C3)C2)nn1 ZINC000423105894 1194730262 /nfs/dbraw/zinc/73/02/62/1194730262.db2.gz CPNYNLHWGLPTDG-PKOBYXMFSA-N 0 3 396.495 0.992 20 0 GCADHN C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000423135146 1194733054 /nfs/dbraw/zinc/73/30/54/1194733054.db2.gz SWZLZDBSTYVJAN-GDBMZVCRSA-N 0 3 388.468 0.262 20 0 GCADHN CS[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000503912318 1194733584 /nfs/dbraw/zinc/73/35/84/1194733584.db2.gz NEGPPSHPNKDFKG-JKSUJKDBSA-N 0 3 396.557 0.543 20 0 GCADHN Cc1noc([C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C2CCOCC2)n1 ZINC000503946005 1194736214 /nfs/dbraw/zinc/73/62/14/1194736214.db2.gz KTSFZMDEFBDZMP-ZBFHGGJFSA-N 0 3 379.461 0.372 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000423315953 1194747269 /nfs/dbraw/zinc/74/72/69/1194747269.db2.gz JIDICFRVZPRMCE-IVMMDQJWSA-N 0 3 399.488 0.360 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCc4cccc(F)c4C3)C2)nn1 ZINC000423324218 1194749286 /nfs/dbraw/zinc/74/92/86/1194749286.db2.gz IQECXJLEEBFUGV-OAHLLOKOSA-N 0 3 386.431 0.624 20 0 GCADHN CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)C1 ZINC000423421128 1194753958 /nfs/dbraw/zinc/75/39/58/1194753958.db2.gz JUCKRUJWKIMOLE-IVMMDQJWSA-N 0 3 397.472 0.114 20 0 GCADHN [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000423572097 1194768900 /nfs/dbraw/zinc/76/89/00/1194768900.db2.gz WVPBCSWOQMYLTA-CYBMUJFWSA-N 0 3 394.859 0.782 20 0 GCADHN COc1cc(N[C@H]2CCCN(C(=O)C(=O)N3CCCNCC3)C2)cc(OC)c1 ZINC000423602395 1194771960 /nfs/dbraw/zinc/77/19/60/1194771960.db2.gz DAOAKSBPNVHZHI-HNNXBMFYSA-N 0 3 390.484 0.929 20 0 GCADHN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423608522 1194772847 /nfs/dbraw/zinc/77/28/47/1194772847.db2.gz KDAWUDSPPIVUSQ-UHFFFAOYSA-N 0 3 376.432 0.825 20 0 GCADHN COc1cc(CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)cc(OC)c1 ZINC000423617899 1194774327 /nfs/dbraw/zinc/77/43/27/1194774327.db2.gz YDDSZWFXEJDGDD-UHFFFAOYSA-N 0 3 390.484 0.170 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000414756521 1194784736 /nfs/dbraw/zinc/78/47/36/1194784736.db2.gz JXKNQCIXAPOCQS-RISCZKNCSA-N 0 3 378.429 0.824 20 0 GCADHN CC(=O)N[C@](C)(C(=O)N1CCNC(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000423705738 1194786666 /nfs/dbraw/zinc/78/66/66/1194786666.db2.gz IJWNOJWDRLGTFD-SFHVURJKSA-N 0 3 381.498 0.652 20 0 GCADHN CN(CC1(O)CCCCCC1)C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423710600 1194787350 /nfs/dbraw/zinc/78/73/50/1194787350.db2.gz PZEOIFDAWSJODN-MRXNPFEDSA-N 0 3 392.504 0.444 20 0 GCADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)[C@@H]1CN ZINC000423744118 1194791031 /nfs/dbraw/zinc/79/10/31/1194791031.db2.gz WALHSFCGGIRCTJ-HUUCEWRRSA-N 0 3 385.530 0.532 20 0 GCADHN O=C(NCc1cccc(N2CCOCC2)n1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894285748 1194793584 /nfs/dbraw/zinc/79/35/84/1194793584.db2.gz PPYVDXDDQAUKRJ-QZTJIDSGSA-N 0 3 389.500 0.659 20 0 GCADHN CSCC[C@H](C(=O)NC[C@H]1CNCCO1)N1C(=O)c2ccccc2C1=O ZINC000423994769 1194797563 /nfs/dbraw/zinc/79/75/63/1194797563.db2.gz TVMMTIFLGZNICO-IUODEOHRSA-N 0 3 377.466 0.509 20 0 GCADHN CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000414768862 1194798188 /nfs/dbraw/zinc/79/81/88/1194798188.db2.gz IYEOFRJYAMSTNW-AWEZNQCLSA-N 0 3 388.468 0.872 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@H]2CNCCO2)cc1 ZINC000423998041 1194798228 /nfs/dbraw/zinc/79/82/28/1194798228.db2.gz ZDYHFZHLAFKTFF-MRXNPFEDSA-N 0 3 397.497 0.395 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000423990856 1194798428 /nfs/dbraw/zinc/79/84/28/1194798428.db2.gz DCGORUFFKRPCNV-KGLIPLIRSA-N 0 3 381.860 0.672 20 0 GCADHN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3CNCCO3)n(C)c2)C1 ZINC000423990131 1194798441 /nfs/dbraw/zinc/79/84/41/1194798441.db2.gz JTVGPERTWKYXSL-KGLIPLIRSA-N 0 3 384.502 0.164 20 0 GCADHN CSCC[C@H](C(=O)NC[C@@H]1CNCCO1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000423985465 1194798470 /nfs/dbraw/zinc/79/84/70/1194798470.db2.gz DMRDUDBGYYBZFS-ZQDZILKHSA-N 0 3 383.514 0.388 20 0 GCADHN CN(C)c1nc(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)cc(=O)[n-]1 ZINC000424007168 1194798746 /nfs/dbraw/zinc/79/87/46/1194798746.db2.gz VGQNARMQUTTWOH-UHFFFAOYSA-N 0 3 386.456 0.785 20 0 GCADHN CCCC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000504636353 1194802256 /nfs/dbraw/zinc/80/22/56/1194802256.db2.gz DKBJMZMBGAFSHE-JKSUJKDBSA-N 0 3 382.505 0.073 20 0 GCADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCC(C)(C)N1CCCCC1)CC2 ZINC000549967221 1194805289 /nfs/dbraw/zinc/80/52/89/1194805289.db2.gz HSHXSCWVJMOFQK-CQSZACIVSA-N 0 3 392.504 0.236 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCN(C)C3=O)c2)CC1 ZINC000504998158 1194819733 /nfs/dbraw/zinc/81/97/33/1194819733.db2.gz IINBHRJFEZXFHE-QGZVFWFLSA-N 0 3 387.484 0.502 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)C(F)F)c2)CC1 ZINC000505087346 1194827205 /nfs/dbraw/zinc/82/72/05/1194827205.db2.gz MWFAVKKMTYNLAC-HNNXBMFYSA-N 0 3 384.427 0.898 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001269701439 1194828535 /nfs/dbraw/zinc/82/85/35/1194828535.db2.gz OIQLDLCVOCPEBQ-HNNXBMFYSA-N 0 3 384.521 0.224 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1 ZINC000505383105 1194836577 /nfs/dbraw/zinc/83/65/77/1194836577.db2.gz VQBQVKMVCISUES-UHFFFAOYSA-N 0 3 395.504 0.110 20 0 GCADHN CCCC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000505410171 1194840139 /nfs/dbraw/zinc/84/01/39/1194840139.db2.gz RSHKSJJJOFJQSV-HNNXBMFYSA-N 0 3 384.546 0.701 20 0 GCADHN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000505410172 1194840197 /nfs/dbraw/zinc/84/01/97/1194840197.db2.gz RSHKSJJJOFJQSV-OAHLLOKOSA-N 0 3 384.546 0.701 20 0 GCADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)c1ncc(Cl)cn1)C2 ZINC001269791029 1194847708 /nfs/dbraw/zinc/84/77/08/1194847708.db2.gz FWGVPCLOCQONMN-KRWDZBQOSA-N 0 3 381.864 0.383 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC[C@H]2CCS(=O)(=O)C2)C1=O ZINC000434491325 1194847950 /nfs/dbraw/zinc/84/79/50/1194847950.db2.gz BFVZOGVMXVVEFI-QLFBSQMISA-N 0 3 388.530 0.978 20 0 GCADHN COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000514083563 1194849228 /nfs/dbraw/zinc/84/92/28/1194849228.db2.gz MCTYQJWYPQESSP-LJQANCHMSA-N 0 3 390.528 0.456 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccc(C)c2C(=O)OC)CC1 ZINC000514096136 1194850658 /nfs/dbraw/zinc/85/06/58/1194850658.db2.gz SAXYZBFKVHXELL-UHFFFAOYSA-N 0 3 377.441 0.947 20 0 GCADHN CCN1CCCN(C(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000280653135 1194850717 /nfs/dbraw/zinc/85/07/17/1194850717.db2.gz WMMVEJWFUBCNMM-LJQANCHMSA-N 0 3 395.525 0.996 20 0 GCADHN COc1ccc(COC[C@H](O)CN2CCC([C@H](O)C(=O)NC3CC3)CC2)cc1 ZINC000434714998 1194861970 /nfs/dbraw/zinc/86/19/70/1194861970.db2.gz VCENBIQBFWGANL-QUCCMNQESA-N 0 3 392.496 0.924 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000281291158 1194863533 /nfs/dbraw/zinc/86/35/33/1194863533.db2.gz WQJZXSBFFRQFKJ-FQEVSTJZSA-N 0 3 387.484 0.821 20 0 GCADHN COc1ccccc1COC[C@@H](O)CN1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000434718245 1194863748 /nfs/dbraw/zinc/86/37/48/1194863748.db2.gz OZJASPGBSUXUMJ-ICSRJNTNSA-N 0 3 392.496 0.924 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000510000267 1194865343 /nfs/dbraw/zinc/86/53/43/1194865343.db2.gz ZUIWRWXWIOKKSX-HNNXBMFYSA-N 0 3 381.498 0.936 20 0 GCADHN CC[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000664442136 1194865375 /nfs/dbraw/zinc/86/53/75/1194865375.db2.gz RJGYIOOEYJJIBB-FUMNGEBKSA-N 0 3 390.528 0.982 20 0 GCADHN COC[C@H](NCC(=O)NCc1ccccc1CN1CCOCC1)[C@H]1CCCO1 ZINC000434790398 1194870033 /nfs/dbraw/zinc/87/00/33/1194870033.db2.gz UIFXYCWQZMVYNW-VQTJNVASSA-N 0 3 391.512 0.919 20 0 GCADHN CCc1nc(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)sc1C ZINC000434841117 1194873386 /nfs/dbraw/zinc/87/33/86/1194873386.db2.gz FJAFEADNAORNTF-UHFFFAOYSA-N 0 3 395.529 0.965 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000514421519 1194873974 /nfs/dbraw/zinc/87/39/74/1194873974.db2.gz VNRBENGXQXSXLV-AWEZNQCLSA-N 0 3 387.484 0.652 20 0 GCADHN CCc1csc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000434853523 1194874356 /nfs/dbraw/zinc/87/43/56/1194874356.db2.gz PLEZSAUWIYMDTE-ZDUSSCGKSA-N 0 3 381.502 0.703 20 0 GCADHN CC(C)(C)n1nnc(CCN2CC[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)n1 ZINC001028817691 1194879211 /nfs/dbraw/zinc/87/92/11/1194879211.db2.gz DRXPJGBHDBEFAW-FPCVCCKLSA-N 0 3 376.505 0.976 20 0 GCADHN CCOC(=O)CNC(=O)C1CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000434975935 1194880993 /nfs/dbraw/zinc/88/09/93/1194880993.db2.gz HVWBAIREJJAXLS-UHFFFAOYSA-N 0 3 382.505 0.819 20 0 GCADHN CCn1nc(C)c(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1C ZINC000514589322 1194885575 /nfs/dbraw/zinc/88/55/75/1194885575.db2.gz CCSPUYAUNSHKGI-UHFFFAOYSA-N 0 3 399.561 0.595 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCN(C)c1ccccc1)CN1CCN(C)CC1 ZINC000514677205 1194892230 /nfs/dbraw/zinc/89/22/30/1194892230.db2.gz BOLGNMORFIMCNI-QGZVFWFLSA-N 0 3 375.517 0.239 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CCCC(=O)N3)c2)CC1 ZINC000435217137 1194900116 /nfs/dbraw/zinc/90/01/16/1194900116.db2.gz PBFXBGDYBPKOGP-MRXNPFEDSA-N 0 3 387.484 0.552 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2OCCc3ccccc32)CC1=O ZINC000425306966 1194904491 /nfs/dbraw/zinc/90/44/91/1194904491.db2.gz AREOTAZTKZIPKE-LPHOPBHVSA-N 0 3 375.469 0.596 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCN(CC(F)(F)F)C2)CC1=O ZINC000425311879 1194906170 /nfs/dbraw/zinc/90/61/70/1194906170.db2.gz GATOGMCBLGVWOO-UONOGXRCSA-N 0 3 394.438 0.166 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc3c(cn2)OCCC3)CC1=O ZINC000425311018 1194906309 /nfs/dbraw/zinc/90/63/09/1194906309.db2.gz FKCNLUSWMLNZEC-OAHLLOKOSA-N 0 3 376.457 0.316 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(-c3ccncc3)on2)CC1=O ZINC000425311011 1194906373 /nfs/dbraw/zinc/90/63/73/1194906373.db2.gz FJYWYZITUYQRBQ-HNNXBMFYSA-N 0 3 387.440 0.646 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccnc2OC(C)C)CC1=O ZINC000425313171 1194906662 /nfs/dbraw/zinc/90/66/62/1194906662.db2.gz HUYCMVAIPJTEFD-HNNXBMFYSA-N 0 3 378.473 0.778 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)C2(c3ccccc3)CC(=O)C2)CC1=O ZINC000425313150 1194906671 /nfs/dbraw/zinc/90/66/71/1194906671.db2.gz HRBPBBCDTVMXNJ-KRWDZBQOSA-N 0 3 387.480 0.583 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c(C)[nH]c(C(=O)OC)c2C)CC1=O ZINC000425311822 1194906837 /nfs/dbraw/zinc/90/68/37/1194906837.db2.gz FYXDUGBOJFLFSS-AWEZNQCLSA-N 0 3 394.472 0.327 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1=O ZINC000425313207 1194906935 /nfs/dbraw/zinc/90/69/35/1194906935.db2.gz HYKMDXLIIMYCHY-OAHLLOKOSA-N 0 3 376.457 0.574 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC1=O ZINC000425318729 1194909565 /nfs/dbraw/zinc/90/95/65/1194909565.db2.gz OYXYMDUUASPABT-MRXNPFEDSA-N 0 3 385.468 0.986 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@@H]4C3)C2)CC1 ZINC000514780380 1194910876 /nfs/dbraw/zinc/91/08/76/1194910876.db2.gz SMRNYSUORCUSQL-RTBURBONSA-N 0 3 391.560 0.310 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@@H]4C3)C2)CC1 ZINC000514780377 1194910916 /nfs/dbraw/zinc/91/09/16/1194910916.db2.gz SMRNYSUORCUSQL-MOPGFXCFSA-N 0 3 391.560 0.310 20 0 GCADHN Cc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OCC(=O)N(C)C)c1 ZINC000514799979 1194911908 /nfs/dbraw/zinc/91/19/08/1194911908.db2.gz ZJGAZRDXGPYNJL-UONOGXRCSA-N 0 3 389.456 0.238 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2Cc3c(cccc3C)O2)CC1=O ZINC000425321244 1194913331 /nfs/dbraw/zinc/91/33/31/1194913331.db2.gz ROMKFGSMBZECHZ-CRAIPNDOSA-N 0 3 375.469 0.594 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)CCc2c(C)nc(=O)[nH]c2C)CC1=O ZINC000425321807 1194914186 /nfs/dbraw/zinc/91/41/86/1194914186.db2.gz SHDVQVYRBIRFHV-HNNXBMFYSA-N 0 3 393.488 0.027 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)C2(Oc3ccccc3)CC2)CC1=O ZINC000425327225 1194916661 /nfs/dbraw/zinc/91/66/61/1194916661.db2.gz ZIOKIDYUBXWYIZ-INIZCTEOSA-N 0 3 375.469 0.893 20 0 GCADHN Cc1ccc(Cn2cccc(NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2=O)cc1 ZINC000514873618 1194923859 /nfs/dbraw/zinc/92/38/59/1194923859.db2.gz POKSFXPEJWYORK-DLBZAZTESA-N 0 3 395.463 0.981 20 0 GCADHN Cc1ccc(Cn2cccc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c2=O)cc1 ZINC000514873621 1194924016 /nfs/dbraw/zinc/92/40/16/1194924016.db2.gz POKSFXPEJWYORK-SJORKVTESA-N 0 3 395.463 0.981 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)no1 ZINC000514891357 1194925745 /nfs/dbraw/zinc/92/57/45/1194925745.db2.gz SWMSESNDTNAQFA-KRWDZBQOSA-N 0 3 391.516 0.864 20 0 GCADHN Cc1n[nH]cc1CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000283631885 1194927004 /nfs/dbraw/zinc/92/70/04/1194927004.db2.gz AKIDNMPJDQUWMZ-UHFFFAOYSA-N 0 3 398.511 0.658 20 0 GCADHN COC[C@@H](NC(=O)C(=O)NCCCN1CCc2ccccc2C1)[C@H]1CCCO1 ZINC000283658939 1194927820 /nfs/dbraw/zinc/92/78/20/1194927820.db2.gz BSKACGQOFPYBRY-RTBURBONSA-N 0 3 389.496 0.861 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC(=O)N1C ZINC000425378749 1194931088 /nfs/dbraw/zinc/93/10/88/1194931088.db2.gz CFFUSWDHUHGNFF-BPQIPLTHSA-N 0 3 384.480 0.408 20 0 GCADHN N[C@H]1C[C@H]2CN(CC(=O)NCC3(c4ccccc4)CCOCC3)CCN2C1=O ZINC000514949298 1194932744 /nfs/dbraw/zinc/93/27/44/1194932744.db2.gz DGZSKVULSZDOCK-ROUUACIJSA-N 0 3 386.496 0.095 20 0 GCADHN O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000514954006 1194933565 /nfs/dbraw/zinc/93/35/65/1194933565.db2.gz MZPKCQYRBYPOCW-SFHVURJKSA-N 0 3 396.495 0.842 20 0 GCADHN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000514986694 1194934927 /nfs/dbraw/zinc/93/49/27/1194934927.db2.gz QECOQRSMTQNVIX-CQSZACIVSA-N 0 3 387.461 0.686 20 0 GCADHN CNC(=O)CCNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435477498 1194937432 /nfs/dbraw/zinc/93/74/32/1194937432.db2.gz PMZWIQHAYAZOOQ-INIZCTEOSA-N 0 3 398.467 0.521 20 0 GCADHN NC(=O)CCCNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435508237 1194937480 /nfs/dbraw/zinc/93/74/80/1194937480.db2.gz SPHQOFIUSKIZLC-INIZCTEOSA-N 0 3 398.467 0.650 20 0 GCADHN NC(=O)CCCNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435508238 1194937778 /nfs/dbraw/zinc/93/77/78/1194937778.db2.gz SPHQOFIUSKIZLC-MRXNPFEDSA-N 0 3 398.467 0.650 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H](CNC(=O)C(C)(C)C)C3)[C@@H]2C1 ZINC000425389443 1194938265 /nfs/dbraw/zinc/93/82/65/1194938265.db2.gz PSFBNOWMUSAHSB-IXDOHACOSA-N 0 3 392.544 0.940 20 0 GCADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000515069486 1194945027 /nfs/dbraw/zinc/94/50/27/1194945027.db2.gz JBDCHEUNWAUTNL-JKSUJKDBSA-N 0 3 399.488 0.408 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@H](n3ccnn3)C2)o1 ZINC000425395819 1194945653 /nfs/dbraw/zinc/94/56/53/1194945653.db2.gz YBVVHZARGOZJKU-INIZCTEOSA-N 0 3 388.472 0.933 20 0 GCADHN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCO1 ZINC000366629907 1194946068 /nfs/dbraw/zinc/94/60/68/1194946068.db2.gz KWPVGLWJRJIBEO-ARFHVFGLSA-N 0 3 398.504 0.785 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)n1 ZINC000425396787 1194946621 /nfs/dbraw/zinc/94/66/21/1194946621.db2.gz ZGKLPEIERJLQDP-LSDHHAIUSA-N 0 3 392.529 0.438 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CCN1CCOC ZINC000425398552 1194951517 /nfs/dbraw/zinc/95/15/17/1194951517.db2.gz IJFYZKWNCNIRST-OKZBNKHCSA-N 0 3 380.533 0.498 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000435700668 1194956836 /nfs/dbraw/zinc/95/68/36/1194956836.db2.gz JTEASVFYWUBUDM-AREMUKBSSA-N 0 3 379.526 0.979 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCSC[C@@H]3c3cnn(C)c3)[C@@H]2C1 ZINC000425405427 1194960269 /nfs/dbraw/zinc/96/02/69/1194960269.db2.gz QYURKKHZPDFPFQ-NUEKZKHPSA-N 0 3 377.514 0.589 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000664500541 1194963888 /nfs/dbraw/zinc/96/38/88/1194963888.db2.gz PBTGPGIFTZDVLN-GFCCVEGCSA-N 0 3 395.426 0.201 20 0 GCADHN C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435834050 1194966972 /nfs/dbraw/zinc/96/69/72/1194966972.db2.gz IAWBPCJUQWKWJC-HOCLYGCPSA-N 0 3 398.467 0.649 20 0 GCADHN COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000435837643 1194967460 /nfs/dbraw/zinc/96/74/60/1194967460.db2.gz VWEXQGKSJQDRCP-AWEZNQCLSA-N 0 3 378.429 0.381 20 0 GCADHN CCOc1ccc(NC(=O)[C@H](CN)OC)cc1S(=O)(=O)N1CCOCC1 ZINC000515338911 1194969065 /nfs/dbraw/zinc/96/90/65/1194969065.db2.gz RCFBGFFMJGOTMP-AWEZNQCLSA-N 0 3 387.458 0.018 20 0 GCADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000515373362 1194970108 /nfs/dbraw/zinc/97/01/08/1194970108.db2.gz QPKBZPGNDLYXGY-JXFKEZNVSA-N 0 3 395.500 0.501 20 0 GCADHN COC(=O)C[C@H](N)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000515379828 1194971783 /nfs/dbraw/zinc/97/17/83/1194971783.db2.gz VRGANDPNXVJWCT-INIZCTEOSA-N 0 3 382.892 0.859 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)[C@@H](O)c3cccc(Cl)c3)C2)OCC1=O ZINC001270028835 1194972620 /nfs/dbraw/zinc/97/26/20/1194972620.db2.gz QGALQKMHZHUKCI-INIZCTEOSA-N 0 3 381.860 0.375 20 0 GCADHN CN(C)C[C@@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000515472974 1194977532 /nfs/dbraw/zinc/97/75/32/1194977532.db2.gz GMSMGCYMIIDKHM-OAHLLOKOSA-N 0 3 383.449 0.257 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)CN[C@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000425446721 1194979627 /nfs/dbraw/zinc/97/96/27/1194979627.db2.gz QGBLWCNSBYPILE-MAUKXSAKSA-N 0 3 379.482 0.353 20 0 GCADHN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC[C@@H]1CNCCO1 ZINC000515635872 1194988436 /nfs/dbraw/zinc/98/84/36/1194988436.db2.gz WHWKCITWDSSMEF-INIZCTEOSA-N 0 3 381.498 0.508 20 0 GCADHN O=C(CN1CCCCC1)N1CC2(C1)SCC[C@H]2C(=O)NCc1cnc[nH]1 ZINC001270061471 1194989361 /nfs/dbraw/zinc/98/93/61/1194989361.db2.gz IIJQKDUWPFXLFD-HNNXBMFYSA-N 0 3 377.514 0.846 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000285867371 1194991665 /nfs/dbraw/zinc/99/16/65/1194991665.db2.gz KREKPAMRWKQIOS-SFHVURJKSA-N 0 3 386.496 0.846 20 0 GCADHN CN(C1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1)S(C)(=O)=O ZINC000505776747 1194991987 /nfs/dbraw/zinc/99/19/87/1194991987.db2.gz LNSGYPLRKWJLPK-UHFFFAOYSA-N 0 3 382.486 0.470 20 0 GCADHN NC(=O)C1=NO[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285924238 1194992734 /nfs/dbraw/zinc/99/27/34/1194992734.db2.gz AXFNLTKWYFBTOV-KBPBESRZSA-N 0 3 380.395 0.890 20 0 GCADHN CN1CCN(CCC(=O)N2CC3(C2)SCC[C@@H]3C(=O)N2CC=CC2)CC1 ZINC001270068107 1194993158 /nfs/dbraw/zinc/99/31/58/1194993158.db2.gz UCLNZVNHRUWHKD-MRXNPFEDSA-N 0 3 378.542 0.356 20 0 GCADHN COCC(C)(C)N1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000425506813 1194994462 /nfs/dbraw/zinc/99/44/62/1194994462.db2.gz PQZOJIJMMREXQQ-UHFFFAOYSA-N 0 3 390.532 0.558 20 0 GCADHN CN1CCN(CC(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)CC1=O ZINC000436284961 1194994612 /nfs/dbraw/zinc/99/46/12/1194994612.db2.gz NDYKRCKMUWUHKZ-INIZCTEOSA-N 0 3 387.484 0.096 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)N(CCOC)CCN(C)C)c1 ZINC000505790716 1194995439 /nfs/dbraw/zinc/99/54/39/1194995439.db2.gz SCPKJSXQJNTHHT-UHFFFAOYSA-N 0 3 379.461 0.204 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000515817393 1194999251 /nfs/dbraw/zinc/99/92/51/1194999251.db2.gz PRFCVXMMWOXRNR-YESZJQIVSA-N 0 3 396.532 0.055 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000515817390 1194999335 /nfs/dbraw/zinc/99/93/35/1194999335.db2.gz PRFCVXMMWOXRNR-IKGGRYGDSA-N 0 3 396.532 0.055 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000425526831 1194999584 /nfs/dbraw/zinc/99/95/84/1194999584.db2.gz KPTQZQLQBWGXBM-XHSDSOJGSA-N 0 3 381.498 0.086 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCCN(C(=O)C3CCC3)C3CC3)CCN2C1=O ZINC000515872195 1195003992 /nfs/dbraw/zinc/00/39/92/1195003992.db2.gz VQMJUUFWBJKRMZ-CVEARBPZSA-N 0 3 377.489 0.121 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CC[C@H](c3nnc[nH]3)C2)c(OC)c1 ZINC000425546765 1195005444 /nfs/dbraw/zinc/00/54/44/1195005444.db2.gz LIHCENXXTPVMBQ-UONOGXRCSA-N 0 3 376.413 0.829 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1 ZINC000515895117 1195005942 /nfs/dbraw/zinc/00/59/42/1195005942.db2.gz YSOZTBKVXFUXHS-UHFFFAOYSA-N 0 3 399.499 0.409 20 0 GCADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425551605 1195007025 /nfs/dbraw/zinc/00/70/25/1195007025.db2.gz QMRVOQYSVORILQ-RYUDHWBXSA-N 0 3 390.469 0.219 20 0 GCADHN COc1ccc2c(c1)OC[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C2 ZINC000664559383 1195007697 /nfs/dbraw/zinc/00/76/97/1195007697.db2.gz FCLWUVVWKKCKGJ-HNNXBMFYSA-N 0 3 378.473 0.660 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(OCCN2CCC3(CNC(=O)N3C)CC2)cc1 ZINC000516053599 1195018309 /nfs/dbraw/zinc/01/83/09/1195018309.db2.gz GRKHYZLNIPZFIC-UHFFFAOYSA-N 0 3 396.513 0.805 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000664571067 1195018874 /nfs/dbraw/zinc/01/88/74/1195018874.db2.gz DQPWCOYRUYTBHA-OAHLLOKOSA-N 0 3 381.521 0.581 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3COCCO3)cc2)CC1 ZINC000516064227 1195019039 /nfs/dbraw/zinc/01/90/39/1195019039.db2.gz LSYCZEHIKVVKSH-SFHVURJKSA-N 0 3 390.484 0.294 20 0 GCADHN C[C@@H](N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1)C(F)(F)F ZINC000516158767 1195027317 /nfs/dbraw/zinc/02/73/17/1195027317.db2.gz SOTSSPUNGXUFTO-ZIAGYGMSSA-N 0 3 376.423 0.778 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3O)C2)nn1 ZINC000516180651 1195029841 /nfs/dbraw/zinc/02/98/41/1195029841.db2.gz BELOAGSREMLPBR-DOTOQJQBSA-N 0 3 398.467 0.911 20 0 GCADHN Cc1cc(-c2ncccc2NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cs1 ZINC000516195217 1195031147 /nfs/dbraw/zinc/03/11/47/1195031147.db2.gz POLCGPPFVGHZJJ-KBPBESRZSA-N 0 3 399.476 0.827 20 0 GCADHN Cc1cnccc1CCNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000516203948 1195031530 /nfs/dbraw/zinc/03/15/30/1195031530.db2.gz LCZROYHKMFGDCC-LJQANCHMSA-N 0 3 387.528 0.676 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000366653931 1195043534 /nfs/dbraw/zinc/04/35/34/1195043534.db2.gz NTDTUZYGUXDJON-RYQLBKOJSA-N 0 3 394.541 0.389 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N(C)[C@H](CO)c1ccc(OC)cc1 ZINC000288061023 1195048329 /nfs/dbraw/zinc/04/83/29/1195048329.db2.gz FRIWEQPEIPNWRN-QGZVFWFLSA-N 0 3 381.473 0.272 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000664595256 1195052708 /nfs/dbraw/zinc/05/27/08/1195052708.db2.gz NUEPGWDKDIVBDJ-UHFFFAOYSA-N 0 3 398.529 0.642 20 0 GCADHN COC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)OC)c1ccc(OC)c(OC)c1 ZINC000288529911 1195063308 /nfs/dbraw/zinc/06/33/08/1195063308.db2.gz HAUKPJYDIBJROM-STQMWFEESA-N 0 3 382.413 0.705 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000516548503 1195065726 /nfs/dbraw/zinc/06/57/26/1195065726.db2.gz QRUKOCYYZALLOL-QGZVFWFLSA-N 0 3 399.438 0.901 20 0 GCADHN CCOC(=O)Cn1cnc(NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)n1 ZINC000425711363 1195066199 /nfs/dbraw/zinc/06/61/99/1195066199.db2.gz MUXVKFQJRMCKEM-OAHLLOKOSA-N 0 3 390.444 1.274 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000516574427 1195069843 /nfs/dbraw/zinc/06/98/43/1195069843.db2.gz QHMGQCLQZVWWLE-PVAVHDDUSA-N 0 3 380.514 0.840 20 0 GCADHN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2)n1 ZINC000516584984 1195071067 /nfs/dbraw/zinc/07/10/67/1195071067.db2.gz HNEOOYVGKQFNGB-HUUCEWRRSA-N 0 3 397.435 0.667 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CC2(CC(=O)OC)CC2)CC1 ZINC000437232484 1195085804 /nfs/dbraw/zinc/08/58/04/1195085804.db2.gz NWESVHMWGCWLNI-UHFFFAOYSA-N 0 3 389.518 0.146 20 0 GCADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000289165654 1195087284 /nfs/dbraw/zinc/08/72/84/1195087284.db2.gz SJCNGZFJDNSQEK-UHFFFAOYSA-N 0 3 378.477 0.244 20 0 GCADHN C[C@H](O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000506017214 1195090938 /nfs/dbraw/zinc/09/09/38/1195090938.db2.gz KGAAHLDFXDJLAF-HOTGVXAUSA-N 0 3 381.498 0.222 20 0 GCADHN COC(=O)Cc1cccc(S(=O)(=O)NCC2(O)CCN(C(C)C)CC2)c1 ZINC000289617304 1195104458 /nfs/dbraw/zinc/10/44/58/1195104458.db2.gz YTNUKJPEMOIWJH-UHFFFAOYSA-N 0 3 384.498 0.916 20 0 GCADHN NC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000425804790 1195109133 /nfs/dbraw/zinc/10/91/33/1195109133.db2.gz FNHAMQKQWYVGPL-DOTOQJQBSA-N 0 3 393.447 0.852 20 0 GCADHN CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc1C ZINC000516938917 1195115216 /nfs/dbraw/zinc/11/52/16/1195115216.db2.gz FKHBKSNDNVNKPP-SDDRHHMPSA-N 0 3 395.485 0.643 20 0 GCADHN CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425812038 1195115755 /nfs/dbraw/zinc/11/57/55/1195115755.db2.gz MJVNJDUCIDRWDR-XJKSGUPXSA-N 0 3 379.482 0.971 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c(C)c1 ZINC000425815268 1195116178 /nfs/dbraw/zinc/11/61/78/1195116178.db2.gz DAKPVARJZPYDEM-WMLDXEAASA-N 0 3 388.468 0.611 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1-n1cnnn1 ZINC000425818166 1195118140 /nfs/dbraw/zinc/11/81/40/1195118140.db2.gz IPLDSAUKIDVCIK-SWLSCSKDSA-N 0 3 385.428 0.162 20 0 GCADHN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425819847 1195120113 /nfs/dbraw/zinc/12/01/13/1195120113.db2.gz MJWDRROFTSQCRM-BLLLJJGKSA-N 0 3 375.425 0.973 20 0 GCADHN CCCCN1CCc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc21 ZINC000517042562 1195128645 /nfs/dbraw/zinc/12/86/45/1195128645.db2.gz YLOOTYDVRMANEM-DLBZAZTESA-N 0 3 399.495 0.558 20 0 GCADHN Cc1nc(-c2ccc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2)co1 ZINC000517041968 1195128698 /nfs/dbraw/zinc/12/86/98/1195128698.db2.gz HIJUMKUSQBULND-HIFRSBDPSA-N 0 3 376.438 0.583 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)Cc1ccccc1 ZINC000517044073 1195129380 /nfs/dbraw/zinc/12/93/80/1195129380.db2.gz ILWMKDOOBBKZHO-GOSISDBHSA-N 0 3 398.511 0.343 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H](C)O1 ZINC000517058238 1195130639 /nfs/dbraw/zinc/13/06/39/1195130639.db2.gz FZELJKSZRKEJKK-ZACQAIPSSA-N 0 3 382.549 0.839 20 0 GCADHN CCCCNCc1cn([C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001098692798 1195132578 /nfs/dbraw/zinc/13/25/78/1195132578.db2.gz KKBSXUSVTBUWMX-LEUOFYLZSA-N 0 3 377.489 0.993 20 0 GCADHN CN1CC[C@@H](CNC(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1=O ZINC000425874940 1195142294 /nfs/dbraw/zinc/14/22/94/1195142294.db2.gz SBWXVFXSPVPURP-MRXNPFEDSA-N 0 3 386.496 0.536 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425876478 1195144820 /nfs/dbraw/zinc/14/48/20/1195144820.db2.gz BGGFQQRJJBMZOJ-QGZVFWFLSA-N 0 3 382.549 0.936 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3sccc3NC(=O)c3ccncc3)CCN2C1=O ZINC000517175989 1195147150 /nfs/dbraw/zinc/14/71/50/1195147150.db2.gz KMBKJHLHCFAXKU-CHWSQXEVSA-N 0 3 385.449 0.779 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000517205062 1195155137 /nfs/dbraw/zinc/15/51/37/1195155137.db2.gz KGFHPUHRSSBKPD-AWEZNQCLSA-N 0 3 380.470 0.276 20 0 GCADHN Cc1cc(N2CCN(C(=O)CN3C[C@H](O)[C@@H](N(C)C)C3)CC2)nc(C(C)C)n1 ZINC000517245094 1195162548 /nfs/dbraw/zinc/16/25/48/1195162548.db2.gz RWKFABDSZNEZQW-IRXDYDNUSA-N 0 3 390.532 0.164 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCOCCF)cc21 ZINC000664666761 1195174941 /nfs/dbraw/zinc/17/49/41/1195174941.db2.gz HRLGWPJZQKWZSQ-UHFFFAOYSA-N 0 3 382.392 0.197 20 0 GCADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@H]2CCCS2(=O)=O)cc1 ZINC000517392204 1195177990 /nfs/dbraw/zinc/17/79/90/1195177990.db2.gz VNZDQPCDNILROU-QGZVFWFLSA-N 0 3 393.509 0.706 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3nn(-c4ccccc4F)c4c3CCC4)CCN2C1=O ZINC000517395948 1195178358 /nfs/dbraw/zinc/17/83/58/1195178358.db2.gz WGENMIGAKKAYKA-WFASDCNBSA-N 0 3 383.427 0.884 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCN(c4cccc(F)c4)C3)CCN2C1=O ZINC000517394549 1195178423 /nfs/dbraw/zinc/17/84/23/1195178423.db2.gz LSPOFRJSHLERLH-USXIJHARSA-N 0 3 375.448 0.748 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000664674343 1195184571 /nfs/dbraw/zinc/18/45/71/1195184571.db2.gz PPMVIHZUYQNOBL-WBVHZDCISA-N 0 3 395.529 0.298 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000664674339 1195184607 /nfs/dbraw/zinc/18/46/07/1195184607.db2.gz PPMVIHZUYQNOBL-RDJZCZTQSA-N 0 3 395.529 0.298 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000664674331 1195184825 /nfs/dbraw/zinc/18/48/25/1195184825.db2.gz PPMVIHZUYQNOBL-DOTOQJQBSA-N 0 3 395.529 0.298 20 0 GCADHN CCc1ncc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000438102313 1195187065 /nfs/dbraw/zinc/18/70/65/1195187065.db2.gz DKOQIVMPGWHGQL-CQSZACIVSA-N 0 3 376.461 0.036 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000517537559 1195188903 /nfs/dbraw/zinc/18/89/03/1195188903.db2.gz BKUOBNTUTGUMOE-IAGOWNOFSA-N 0 3 388.578 0.595 20 0 GCADHN Cc1nccn1CCCN(C)C(=O)C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000517536736 1195189258 /nfs/dbraw/zinc/18/92/58/1195189258.db2.gz OMZXTROUWMYFCD-KRWDZBQOSA-N 0 3 379.505 0.513 20 0 GCADHN CC(=O)N1CSC[C@H]1C(=O)N1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001270311545 1195190674 /nfs/dbraw/zinc/19/06/74/1195190674.db2.gz BKKFZVVOTHBQHZ-HNNXBMFYSA-N 0 3 382.530 0.311 20 0 GCADHN CCOC(=O)Cn1nc(C)c(CN[C@H]2CCc3nc(COC)nn3C2)c1C ZINC000438182169 1195191170 /nfs/dbraw/zinc/19/11/70/1195191170.db2.gz TVZIBDWWBZLFDD-AWEZNQCLSA-N 0 3 376.461 0.906 20 0 GCADHN CC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001270312069 1195191260 /nfs/dbraw/zinc/19/12/60/1195191260.db2.gz JUKYVHSDEDYORJ-CRAIPNDOSA-N 0 3 382.530 0.453 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)Cc3nccnc3Cl)C2)OCC1=O ZINC001270312791 1195191873 /nfs/dbraw/zinc/19/18/73/1195191873.db2.gz TWPLITFLVFZIBK-QGZVFWFLSA-N 0 3 381.864 0.064 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1 ZINC000517564575 1195194059 /nfs/dbraw/zinc/19/40/59/1195194059.db2.gz GZJCFZXGUOHFLJ-XUJLQICISA-N 0 3 398.533 0.398 20 0 GCADHN COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000438264468 1195202823 /nfs/dbraw/zinc/20/28/23/1195202823.db2.gz YZTAJAVLXYFOEX-MRXNPFEDSA-N 0 3 377.441 0.459 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000517685854 1195207691 /nfs/dbraw/zinc/20/76/91/1195207691.db2.gz JZXLSTNTLFNSKB-IAGOWNOFSA-N 0 3 378.517 0.648 20 0 GCADHN CN(CCNC(=O)N1CCN(c2nc(N)ns2)CC1)Cc1ccccc1 ZINC000425985712 1195208072 /nfs/dbraw/zinc/20/80/72/1195208072.db2.gz AGHOKKGUFZAECS-UHFFFAOYSA-N 0 3 375.502 1.084 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2ccccc2)C[C@H](C)O1 ZINC000517746143 1195214253 /nfs/dbraw/zinc/21/42/53/1195214253.db2.gz UJGDRLUJCAIXCW-HOTGVXAUSA-N 0 3 383.514 0.971 20 0 GCADHN COC(=O)[C@@](C)(CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)cc1 ZINC000517845398 1195222801 /nfs/dbraw/zinc/22/28/01/1195222801.db2.gz OFVDDAIZVCUGBN-XOBRGWDASA-N 0 3 393.459 0.783 20 0 GCADHN Cc1ccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1S(N)(=O)=O ZINC000438507875 1195223299 /nfs/dbraw/zinc/22/32/99/1195223299.db2.gz KVEIDUPWMZOSDZ-CYBMUJFWSA-N 0 3 383.518 0.647 20 0 GCADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000414933648 1195223594 /nfs/dbraw/zinc/22/35/94/1195223594.db2.gz AXCJKSSKNJMPSN-OAHLLOKOSA-N 0 3 399.495 0.383 20 0 GCADHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000517870354 1195224915 /nfs/dbraw/zinc/22/49/15/1195224915.db2.gz ZVXRBWHKTMXIFG-UHFFFAOYSA-N 0 3 398.485 0.195 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000506273627 1195225222 /nfs/dbraw/zinc/22/52/22/1195225222.db2.gz FWZZHVHRDYLTEP-UHFFFAOYSA-N 0 3 377.441 0.556 20 0 GCADHN CCN(CC)CC(=O)N1CCC2(C[C@@H]2C(=O)NCCS(=O)(=O)CC)CC1 ZINC001270359157 1195226253 /nfs/dbraw/zinc/22/62/53/1195226253.db2.gz VAVRNHDYBSIJJJ-OAHLLOKOSA-N 0 3 387.546 0.508 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H](OC)C(=O)OC)c2)CC1 ZINC000293482477 1195228809 /nfs/dbraw/zinc/22/88/09/1195228809.db2.gz VDBJOZSAAFXHNZ-INIZCTEOSA-N 0 3 392.456 0.071 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)[C@H](Cc1c[nH]cn1)NC(C)=O ZINC000426153192 1195248346 /nfs/dbraw/zinc/24/83/46/1195248346.db2.gz KVPXKQBXLXWBCX-SFHVURJKSA-N 0 3 378.521 0.333 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000426149956 1195249067 /nfs/dbraw/zinc/24/90/67/1195249067.db2.gz CTTYOSISMYABPS-UHFFFAOYSA-N 0 3 387.484 0.706 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000426168606 1195252951 /nfs/dbraw/zinc/25/29/51/1195252951.db2.gz SIYBULNSRVSSCG-UHFFFAOYSA-N 0 3 382.530 0.824 20 0 GCADHN Cc1cc(N2CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC2)n[nH]1 ZINC000664722174 1195258279 /nfs/dbraw/zinc/25/82/79/1195258279.db2.gz KBQTTWZMOQVMFL-UHFFFAOYSA-N 0 3 379.509 0.348 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000429627606 1195258759 /nfs/dbraw/zinc/25/87/59/1195258759.db2.gz OITPXHNJTPVQHS-LLVKDONJSA-N 0 3 388.419 1.086 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)C(F)(F)C(F)(F)Cl)C2)OCC1=O ZINC001270404228 1195261252 /nfs/dbraw/zinc/26/12/52/1195261252.db2.gz CLZAURWPZPABJZ-UHFFFAOYSA-N 0 3 375.750 0.455 20 0 GCADHN CN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@@H]1CCCC[C@H]1O ZINC000426201751 1195261376 /nfs/dbraw/zinc/26/13/76/1195261376.db2.gz BOCZACPNUMBFSU-HZPDHXFCSA-N 0 3 387.488 0.247 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)Cc2ccccc2C1 ZINC000506422709 1195264414 /nfs/dbraw/zinc/26/44/14/1195264414.db2.gz PTDKLIJJWJYSMS-QGZVFWFLSA-N 0 3 381.480 0.530 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CCSC[C@H]2CCO)Cc2ccccc2C1 ZINC000506424029 1195264511 /nfs/dbraw/zinc/26/45/11/1195264511.db2.gz UXJVYQODMCYANK-QGZVFWFLSA-N 0 3 391.537 0.528 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)[C@@H]1CCCC[C@H]1O ZINC000426210877 1195265073 /nfs/dbraw/zinc/26/50/73/1195265073.db2.gz PABXVPVXENAMRD-IAOVAPTHSA-N 0 3 383.514 0.617 20 0 GCADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000506427910 1195265295 /nfs/dbraw/zinc/26/52/95/1195265295.db2.gz JSBNYLYBVVXOOA-KRWDZBQOSA-N 0 3 386.496 0.329 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)Cc2ccccc2C1 ZINC000506433385 1195266896 /nfs/dbraw/zinc/26/68/96/1195266896.db2.gz YONIATYQJRYYGA-HNNXBMFYSA-N 0 3 386.496 0.316 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)Cc2ccccc2C1 ZINC000506438626 1195269439 /nfs/dbraw/zinc/26/94/39/1195269439.db2.gz MZVQLORVMBALPC-AWEZNQCLSA-N 0 3 387.402 0.583 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000729431479 1195271430 /nfs/dbraw/zinc/27/14/30/1195271430.db2.gz JRWUSUKSYWOMNU-CYBMUJFWSA-N 0 3 376.461 0.571 20 0 GCADHN CCOCCCN1CC[C@H](NS(=O)(=O)c2cnn(CCOC)c2)[C@@H](C)C1 ZINC000438986514 1195274727 /nfs/dbraw/zinc/27/47/27/1195274727.db2.gz QXENTRFGALOJNC-RDJZCZTQSA-N 0 3 388.534 0.945 20 0 GCADHN CN(c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCC1 ZINC000518398712 1195286664 /nfs/dbraw/zinc/28/66/64/1195286664.db2.gz ZBJXVBLTGHJYTO-HOTGVXAUSA-N 0 3 399.495 0.774 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000518396835 1195286798 /nfs/dbraw/zinc/28/67/98/1195286798.db2.gz BSVSECRQYSCXML-CQSZACIVSA-N 0 3 390.488 0.337 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)C(Cl)(Cl)C(F)(F)F)C2 ZINC001270448006 1195287795 /nfs/dbraw/zinc/28/77/95/1195287795.db2.gz KRULMAGHYXRXAJ-UHFFFAOYSA-N 0 3 392.205 0.724 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000426290971 1195291149 /nfs/dbraw/zinc/29/11/49/1195291149.db2.gz QBLXNDPNRKXCDA-OAGGEKHMSA-N 0 3 379.505 0.382 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000439199966 1195295675 /nfs/dbraw/zinc/29/56/75/1195295675.db2.gz PQTFDJPKAVHDGK-UHFFFAOYSA-N 0 3 390.440 0.082 20 0 GCADHN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000439212807 1195297362 /nfs/dbraw/zinc/29/73/62/1195297362.db2.gz KQDUBEDMFBUOKC-UHFFFAOYSA-N 0 3 388.468 0.715 20 0 GCADHN C[C@@H](CNCC(=O)N(C)c1nccs1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001270460152 1195297876 /nfs/dbraw/zinc/29/78/76/1195297876.db2.gz HNXCSHBUOVEWOV-GNIPQWQFSA-N 0 3 378.498 0.871 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC000439224254 1195298581 /nfs/dbraw/zinc/29/85/81/1195298581.db2.gz PUBHPXYUOSMVBA-UHFFFAOYSA-N 0 3 382.486 0.396 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCNC(=O)[C@@H]2C)c1 ZINC000518531404 1195300071 /nfs/dbraw/zinc/30/00/71/1195300071.db2.gz YJJYHBDISVOKFX-HNNXBMFYSA-N 0 3 378.473 0.674 20 0 GCADHN CC[C@@H](NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCOCC1 ZINC000518519607 1195300427 /nfs/dbraw/zinc/30/04/27/1195300427.db2.gz YYCHROWLOBQZDY-NVXWUHKLSA-N 0 3 391.468 0.538 20 0 GCADHN N[C@@H]1C[C@@H]2CN(CC(=O)N3c4ccccc4NC(=O)C34CCCC4)CCN2C1=O ZINC000518563985 1195304210 /nfs/dbraw/zinc/30/42/10/1195304210.db2.gz CBVCJCZXZAIJIX-HUUCEWRRSA-N 0 3 397.479 0.528 20 0 GCADHN CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000439291656 1195304649 /nfs/dbraw/zinc/30/46/49/1195304649.db2.gz BJOWQWXTFIBESB-UHFFFAOYSA-N 0 3 377.445 0.088 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000518610689 1195307064 /nfs/dbraw/zinc/30/70/64/1195307064.db2.gz URQOOPBIWAQZEZ-UHFFFAOYSA-N 0 3 389.456 0.653 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000518609721 1195307411 /nfs/dbraw/zinc/30/74/11/1195307411.db2.gz LSMAPKBBBFTNAJ-IBGZPJMESA-N 0 3 398.507 0.945 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)C[C@@H]1O ZINC000664749358 1195315041 /nfs/dbraw/zinc/31/50/41/1195315041.db2.gz FMLZMKOYBVLQBA-SQNIBIBYSA-N 0 3 378.542 0.920 20 0 GCADHN CCS(=O)(=O)CCN1CC[C@]2(CCN(C(=O)[C@@H](C)N3CCCC3)C2)C1=O ZINC001270491463 1195320573 /nfs/dbraw/zinc/32/05/73/1195320573.db2.gz WGYIJONDJSDGGI-CRAIPNDOSA-N 0 3 385.530 0.356 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000297033597 1195326814 /nfs/dbraw/zinc/32/68/14/1195326814.db2.gz IZAUQNVGKGTGMU-UHFFFAOYSA-N 0 3 397.545 0.519 20 0 GCADHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3ccc4[nH]c(C(F)(F)F)nc4c3)CCN2C1=O ZINC000518796790 1195334581 /nfs/dbraw/zinc/33/45/81/1195334581.db2.gz AEEHINZEJDBNSK-MNOVXSKESA-N 0 3 396.373 0.764 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)CC1 ZINC000518872470 1195341483 /nfs/dbraw/zinc/34/14/83/1195341483.db2.gz HREYNJWFPORGHV-UHFFFAOYSA-N 0 3 387.444 0.136 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)CC1 ZINC000518872591 1195341805 /nfs/dbraw/zinc/34/18/05/1195341805.db2.gz POPIIYTUMALIGB-UHFFFAOYSA-N 0 3 392.431 0.876 20 0 GCADHN Cc1nccn1CCCN(C)C(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000297767980 1195345859 /nfs/dbraw/zinc/34/58/59/1195345859.db2.gz JKKJVDXZHIYBND-HNNXBMFYSA-N 0 3 379.505 0.344 20 0 GCADHN CS(=O)(=O)CCCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000518948532 1195349142 /nfs/dbraw/zinc/34/91/42/1195349142.db2.gz PIJXXQAFIORNTN-UHFFFAOYSA-N 0 3 395.525 0.953 20 0 GCADHN COC(=O)c1ccc(OCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000518945973 1195350787 /nfs/dbraw/zinc/35/07/87/1195350787.db2.gz XULBARBRVOPFOU-IUODEOHRSA-N 0 3 393.440 0.197 20 0 GCADHN O=S(=O)(CCNC[C@@H](O)COc1ccccc1F)NC[C@H]1CCCCO1 ZINC000518964894 1195351810 /nfs/dbraw/zinc/35/18/10/1195351810.db2.gz FOPSYJXDTGUIJQ-HUUCEWRRSA-N 0 3 390.477 0.644 20 0 GCADHN COCCN1CCN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000297968656 1195353415 /nfs/dbraw/zinc/35/34/15/1195353415.db2.gz XLZQOEJGAMTDKJ-UHFFFAOYSA-N 0 3 380.489 0.351 20 0 GCADHN C[C@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cn1 ZINC000426499394 1195355619 /nfs/dbraw/zinc/35/56/19/1195355619.db2.gz QSXKCZLQKXDRTP-LSDHHAIUSA-N 0 3 376.505 0.792 20 0 GCADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc1 ZINC000519001006 1195356584 /nfs/dbraw/zinc/35/65/84/1195356584.db2.gz MJBJMRRKQWVIRY-ZFWWWQNUSA-N 0 3 381.502 0.297 20 0 GCADHN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000439874974 1195362070 /nfs/dbraw/zinc/36/20/70/1195362070.db2.gz CJBPMYREGVUYSU-QFBILLFUSA-N 0 3 376.457 0.793 20 0 GCADHN Cc1ncc(CN(C)C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000298529913 1195372144 /nfs/dbraw/zinc/37/21/44/1195372144.db2.gz IUNKPRYSQXHFQU-OAHLLOKOSA-N 0 3 393.513 0.175 20 0 GCADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)C(F)(F)C(F)(F)F)C2 ZINC001270555263 1195373184 /nfs/dbraw/zinc/37/31/84/1195373184.db2.gz MFJOVKLLSXUAGQ-ZDUSSCGKSA-N 0 3 387.349 0.823 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)CN3CCN(Cc4ccccc4)CC3)C2)nn1 ZINC000519153382 1195373964 /nfs/dbraw/zinc/37/39/64/1195373964.db2.gz RVILGXXDUPLBHB-HXUWFJFHSA-N 0 3 397.527 0.718 20 0 GCADHN CN(C)C(=O)COc1ccccc1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000519153439 1195374128 /nfs/dbraw/zinc/37/41/28/1195374128.db2.gz XFIHFZNNXQLYBA-HNNXBMFYSA-N 0 3 386.456 0.681 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000519162431 1195375065 /nfs/dbraw/zinc/37/50/65/1195375065.db2.gz LZJJZJKYIYUGTH-IHRRRGAJSA-N 0 3 396.513 0.911 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)NCc1cccc(Cl)c1 ZINC000519189742 1195378356 /nfs/dbraw/zinc/37/83/56/1195378356.db2.gz KMWDKEIFPCUFGW-UHFFFAOYSA-N 0 3 396.919 0.463 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(OCCC(=O)OC)cc2)CC1 ZINC000440091880 1195384116 /nfs/dbraw/zinc/38/41/16/1195384116.db2.gz MHGIVBRBIWBDCW-UHFFFAOYSA-N 0 3 399.513 0.544 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCn4ncnc4C3)cn2)CC1 ZINC000473610789 1195386773 /nfs/dbraw/zinc/38/67/73/1195386773.db2.gz MWKJZEJWEPWBAP-UHFFFAOYSA-N 0 3 385.428 0.127 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)N3CCn4cncc4C3)CC2)C[C@H](C)O1 ZINC000299129104 1195391175 /nfs/dbraw/zinc/39/11/75/1195391175.db2.gz MCGHUEXUJIHIPM-HOTGVXAUSA-N 0 3 389.500 0.573 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000440278726 1195400314 /nfs/dbraw/zinc/40/03/14/1195400314.db2.gz BEKDCXWTBKOFFN-UHFFFAOYSA-N 0 3 387.484 0.606 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000440280374 1195401009 /nfs/dbraw/zinc/40/10/09/1195401009.db2.gz FCSCQXKRUFQWOL-UHFFFAOYSA-N 0 3 385.472 0.302 20 0 GCADHN Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c([O-])c1 ZINC000519401834 1195402209 /nfs/dbraw/zinc/40/22/09/1195402209.db2.gz JHOKZIPIVGTURW-CQSZACIVSA-N 0 3 376.457 0.134 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(CCO)CCCO)c2)CC1 ZINC000440303743 1195406531 /nfs/dbraw/zinc/40/65/31/1195406531.db2.gz FDYIEHXYSOLSKV-UHFFFAOYSA-N 0 3 392.500 0.359 20 0 GCADHN Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000506828877 1195412277 /nfs/dbraw/zinc/41/22/77/1195412277.db2.gz YXDPOJRNACHWCK-BBRMVZONSA-N 0 3 380.489 0.908 20 0 GCADHN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)C2)n(C)n1 ZINC000894461869 1195429619 /nfs/dbraw/zinc/42/96/19/1195429619.db2.gz DEZIIHYCKSSPKS-BZSNNMDCSA-N 0 3 390.532 0.938 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)Cc1ccccc1 ZINC000048834124 1195434048 /nfs/dbraw/zinc/43/40/48/1195434048.db2.gz NGXLLAKUYFPQTM-GOSISDBHSA-N 0 3 382.464 0.942 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccccc4Cl)C3=O)CCN2C1=O ZINC000519554122 1195438593 /nfs/dbraw/zinc/43/85/93/1195438593.db2.gz TVIJSPSGNZZHHX-MRVWCRGKSA-N 0 3 391.859 0.399 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCN(c4ccccc4Cl)C3=O)CCN2C1=O ZINC000519554111 1195438812 /nfs/dbraw/zinc/43/88/12/1195438812.db2.gz TVIJSPSGNZZHHX-IACUBPJLSA-N 0 3 391.859 0.399 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000262042597 1195441670 /nfs/dbraw/zinc/44/16/70/1195441670.db2.gz HSRUQSQFIUFSFI-IBGZPJMESA-N 0 3 392.475 0.529 20 0 GCADHN O=C(CN[C@@H](C1CC1)[C@@]1(CO)CCCO1)Nc1cc(-n2cnnn2)ccc1F ZINC000550141145 1195447963 /nfs/dbraw/zinc/44/79/63/1195447963.db2.gz PVKCSYTWWUVELB-ROUUACIJSA-N 0 3 390.419 0.650 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CC1 ZINC000111661014 1195457036 /nfs/dbraw/zinc/45/70/36/1195457036.db2.gz KSOFYQVOSRJSEK-PKOBYXMFSA-N 0 3 388.512 0.556 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N[C@H]1CNC(=O)C1 ZINC000440464547 1195458798 /nfs/dbraw/zinc/45/87/98/1195458798.db2.gz MMCIZQCOHOPWTE-OAHLLOKOSA-N 0 3 376.482 0.221 20 0 GCADHN C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000519566366 1195459146 /nfs/dbraw/zinc/45/91/46/1195459146.db2.gz UBYOVRFLWCDTIT-OJMYTPRHSA-N 0 3 395.525 0.277 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1F ZINC000550242742 1195468423 /nfs/dbraw/zinc/46/84/23/1195468423.db2.gz RFEKFFHQUREUCW-QGZVFWFLSA-N 0 3 392.475 0.809 20 0 GCADHN C[C@H]1CN(c2ccc(NC(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cn2)C[C@H](C)O1 ZINC000519583269 1195478579 /nfs/dbraw/zinc/47/85/79/1195478579.db2.gz KHSOHVKYICUBEA-QBYUYEEZSA-N 0 3 387.484 0.796 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000426710937 1195479098 /nfs/dbraw/zinc/47/90/98/1195479098.db2.gz MAXYUPGVLVANTH-NSHDSACASA-N 0 3 389.403 0.529 20 0 GCADHN COC(=O)CN(C)C(=O)CCN1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000426771748 1195481474 /nfs/dbraw/zinc/48/14/74/1195481474.db2.gz GGUPTIXOGPJYPB-AWEZNQCLSA-N 0 3 397.476 0.306 20 0 GCADHN O=C(NCCCN1CCOCC1)C1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426773423 1195481697 /nfs/dbraw/zinc/48/16/97/1195481697.db2.gz PCHDHUIEQGBKEU-LJQANCHMSA-N 0 3 392.544 0.690 20 0 GCADHN CCN(C[C@H](C)O)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000507031240 1195486649 /nfs/dbraw/zinc/48/66/49/1195486649.db2.gz HEKOHVSOUDLYDB-LBPRGKRZSA-N 0 3 378.429 0.324 20 0 GCADHN O=C(Nc1ccn(-c2ccncc2)n1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000507144830 1195497431 /nfs/dbraw/zinc/49/74/31/1195497431.db2.gz SJDHMSYZJLRGAH-UHFFFAOYSA-N 0 3 398.467 0.777 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCC(=O)N(C)C3=O)cc2)CC1 ZINC000519595922 1195505509 /nfs/dbraw/zinc/50/55/09/1195505509.db2.gz LFSYSDYFWBGDIV-QGZVFWFLSA-N 0 3 387.484 0.381 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000427086443 1195505619 /nfs/dbraw/zinc/50/56/19/1195505619.db2.gz UOIOHEKXDUHDFJ-GJZGRUSLSA-N 0 3 376.505 0.935 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC[C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000507367448 1195514668 /nfs/dbraw/zinc/51/46/68/1195514668.db2.gz FWYXCWONNONJBL-JFIYKMOQSA-N 0 3 381.517 0.877 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000507367449 1195514802 /nfs/dbraw/zinc/51/48/02/1195514802.db2.gz FWYXCWONNONJBL-JZXOWHBKSA-N 0 3 381.517 0.877 20 0 GCADHN COc1ccc(CCNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1S(N)(=O)=O ZINC000507409596 1195517691 /nfs/dbraw/zinc/51/76/91/1195517691.db2.gz ROAPUXPSMFWIAZ-HUUCEWRRSA-N 0 3 396.513 0.621 20 0 GCADHN COc1ccc(CCNC(=O)N[C@H]2CCN(C3CC3)C2)cc1S(N)(=O)=O ZINC000507412235 1195518280 /nfs/dbraw/zinc/51/82/80/1195518280.db2.gz FFNDXGJNHANUOM-ZDUSSCGKSA-N 0 3 382.486 0.421 20 0 GCADHN COc1ccc(CCNC(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1S(N)(=O)=O ZINC000507414631 1195518542 /nfs/dbraw/zinc/51/85/42/1195518542.db2.gz PSUMMZMJPCEPHW-GXTWGEPZSA-N 0 3 384.502 0.667 20 0 GCADHN Cc1nc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)sc1C ZINC000507534546 1195528878 /nfs/dbraw/zinc/52/88/78/1195528878.db2.gz UNRJPLOTRKYEAN-AWEZNQCLSA-N 0 3 393.513 0.141 20 0 GCADHN C[C@@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)C(=O)NCCF ZINC000507591143 1195537250 /nfs/dbraw/zinc/53/72/50/1195537250.db2.gz QKSNDZMPWKPFMZ-CQSZACIVSA-N 0 3 380.464 0.917 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCC2(OCCO)CCOCC2)CC1 ZINC000507588637 1195537406 /nfs/dbraw/zinc/53/74/06/1195537406.db2.gz WHDZSBVXDLCNOF-KRWDZBQOSA-N 0 3 386.537 0.117 20 0 GCADHN O=C(CNC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCC1)NCC1CC1 ZINC001270772192 1195537661 /nfs/dbraw/zinc/53/76/61/1195537661.db2.gz XIJGVBKNDJDRKQ-XYJFISCASA-N 0 3 379.501 0.583 20 0 GCADHN C[C@@H]1CSC[C@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000507659032 1195544961 /nfs/dbraw/zinc/54/49/61/1195544961.db2.gz XHTLKBBCNKRFMF-DGCLKSJQSA-N 0 3 392.481 0.962 20 0 GCADHN Cc1csc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c2)n1 ZINC000519616327 1195547584 /nfs/dbraw/zinc/54/75/84/1195547584.db2.gz NWZOKCXBVIPDJP-GJZGRUSLSA-N 0 3 399.476 0.827 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000664912510 1195554522 /nfs/dbraw/zinc/55/45/22/1195554522.db2.gz ZOLSCRQMBVTPQI-NVXWUHKLSA-N 0 3 395.529 0.441 20 0 GCADHN CN(C)Cc1ccc(CNC[C@@]2(O)CCS(=O)(=O)C2)c2c1OC(F)(F)O2 ZINC000894877385 1195556482 /nfs/dbraw/zinc/55/64/82/1195556482.db2.gz WEOWKXHPGQXPBB-HNNXBMFYSA-N 0 3 392.424 0.709 20 0 GCADHN CN(C)Cc1ccc(CNC[C@]2(O)CCS(=O)(=O)C2)c2c1OC(F)(F)O2 ZINC000894877386 1195556634 /nfs/dbraw/zinc/55/66/34/1195556634.db2.gz WEOWKXHPGQXPBB-OAHLLOKOSA-N 0 3 392.424 0.709 20 0 GCADHN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000519617914 1195558278 /nfs/dbraw/zinc/55/82/78/1195558278.db2.gz QFWLYXOKJGWTOF-LSDHHAIUSA-N 0 3 396.451 0.198 20 0 GCADHN NC(=O)COc1ccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000440514582 1195558502 /nfs/dbraw/zinc/55/85/02/1195558502.db2.gz XLAJRNNAGJOIGF-NRFANRHFSA-N 0 3 383.448 0.918 20 0 GCADHN C[C@H](N1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1)C(F)(F)F ZINC000519635848 1195560953 /nfs/dbraw/zinc/56/09/53/1195560953.db2.gz YQLKRKUUOYEALY-KBPBESRZSA-N 0 3 378.439 0.930 20 0 GCADHN C[C@H](N1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC000519635851 1195560989 /nfs/dbraw/zinc/56/09/89/1195560989.db2.gz YQLKRKUUOYEALY-KGLIPLIRSA-N 0 3 378.439 0.930 20 0 GCADHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000519644898 1195561427 /nfs/dbraw/zinc/56/14/27/1195561427.db2.gz IWOGKBHDYUIXGS-KCITZHQASA-N 0 3 398.507 0.833 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(C(=O)OC)c2)CC1=O ZINC000519665671 1195563153 /nfs/dbraw/zinc/56/31/53/1195563153.db2.gz VZVPFLAOWRJOCQ-INIZCTEOSA-N 0 3 377.441 0.382 20 0 GCADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000519704059 1195564206 /nfs/dbraw/zinc/56/42/06/1195564206.db2.gz GHSZHDBJYLYRTP-PKOBYXMFSA-N 0 3 398.507 0.836 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 ZINC000440630239 1195568543 /nfs/dbraw/zinc/56/85/43/1195568543.db2.gz XAFCTFIRDGXJTA-UHFFFAOYSA-N 0 3 387.502 0.948 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(C)o1 ZINC000519826169 1195573714 /nfs/dbraw/zinc/57/37/14/1195573714.db2.gz PAQXVPSDBRITFR-DZGCQCFKSA-N 0 3 385.486 0.855 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Cl ZINC000519834870 1195575173 /nfs/dbraw/zinc/57/51/73/1195575173.db2.gz VLKYSPXXUGVLHE-ONGXEEELSA-N 0 3 396.831 0.066 20 0 GCADHN CO[C@H](CN)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000519822712 1195576053 /nfs/dbraw/zinc/57/60/53/1195576053.db2.gz JUVREXDORWSZLC-KVSKMBFKSA-N 0 3 385.468 0.541 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCSC[C@H]3CO)c2)CC1 ZINC000440677725 1195576259 /nfs/dbraw/zinc/57/62/59/1195576259.db2.gz OACIVRVNLDWCKY-QGZVFWFLSA-N 0 3 392.525 0.703 20 0 GCADHN C[C@@H](CNC(=O)N(C)CC(=O)NCc1ccccc1)CN1CCN(C)CC1 ZINC000441059618 1195599622 /nfs/dbraw/zinc/59/96/22/1195599622.db2.gz HJLPLMAHQGEKSQ-KRWDZBQOSA-N 0 3 375.517 0.828 20 0 GCADHN CCSc1ncccc1C(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001270831342 1195603781 /nfs/dbraw/zinc/60/37/81/1195603781.db2.gz LFHDVKCMMYEUCB-UHFFFAOYSA-N 0 3 378.498 0.809 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CC1 ZINC000520190910 1195605205 /nfs/dbraw/zinc/60/52/05/1195605205.db2.gz QTPXIEUVNDTAEJ-UHFFFAOYSA-N 0 3 389.456 0.596 20 0 GCADHN NS(=O)(=O)CCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000664961408 1195607063 /nfs/dbraw/zinc/60/70/63/1195607063.db2.gz BDHXLGOMARABKM-UHFFFAOYSA-N 0 3 383.518 0.662 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[S@](=O)C3)c(C)c2)CC1 ZINC000441185112 1195610714 /nfs/dbraw/zinc/61/07/14/1195610714.db2.gz SAIGQLRKWBWMFY-QZXCRCNTSA-N 0 3 392.525 0.713 20 0 GCADHN COC(=O)[C@H](O)C1CCN(C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000441240199 1195613806 /nfs/dbraw/zinc/61/38/06/1195613806.db2.gz AOFCRCQSXFJKPP-FUHWJXTLSA-N 0 3 380.441 0.631 20 0 GCADHN COC(=O)[C@H](O)C1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000441230049 1195614778 /nfs/dbraw/zinc/61/47/78/1195614778.db2.gz JDRJPSTYURMGMY-HZPDHXFCSA-N 0 3 391.424 0.110 20 0 GCADHN CO[C@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H](C)C1 ZINC000441380350 1195629357 /nfs/dbraw/zinc/62/93/57/1195629357.db2.gz QPUSFWSBGQVIBV-CABCVRRESA-N 0 3 387.488 0.511 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000507740762 1195634648 /nfs/dbraw/zinc/63/46/48/1195634648.db2.gz OLKAHMIUNOKZBT-UHFFFAOYSA-N 0 3 390.484 0.898 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2cccc(N3CCCC3=O)c2)n1 ZINC000550339583 1195637439 /nfs/dbraw/zinc/63/74/39/1195637439.db2.gz RWLYWGMJYVFGQT-UHFFFAOYSA-N 0 3 385.472 0.101 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000550345076 1195638857 /nfs/dbraw/zinc/63/88/57/1195638857.db2.gz FREKJTFSAPIQOE-CQSZACIVSA-N 0 3 375.477 0.204 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCn3ncnc3C2)c1 ZINC000473935539 1195645459 /nfs/dbraw/zinc/64/54/59/1195645459.db2.gz BIPZLUFBVMOEHK-UHFFFAOYSA-N 0 3 388.472 0.961 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)N1CCOCC1 ZINC000550362269 1195645510 /nfs/dbraw/zinc/64/55/10/1195645510.db2.gz LDXRQAQFQNZTJP-LZLYRXPVSA-N 0 3 380.533 0.591 20 0 GCADHN CCN1CCN(CCNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000112917785 1195645723 /nfs/dbraw/zinc/64/57/23/1195645723.db2.gz GVRRXKFHAORBOQ-UHFFFAOYSA-N 0 3 385.468 0.825 20 0 GCADHN CCN1CCN(CCNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000112918175 1195645757 /nfs/dbraw/zinc/64/57/57/1195645757.db2.gz UYKUMAJENAGYGM-UHFFFAOYSA-N 0 3 377.514 0.829 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000112922208 1195645796 /nfs/dbraw/zinc/64/57/96/1195645796.db2.gz KXZIKNCPAMHDDU-OAHLLOKOSA-N 0 3 382.530 0.598 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 ZINC000112916874 1195645848 /nfs/dbraw/zinc/64/58/48/1195645848.db2.gz PHYUFLGPZHMPMN-INIZCTEOSA-N 0 3 382.530 0.449 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC000507746486 1195650937 /nfs/dbraw/zinc/65/09/37/1195650937.db2.gz FZOPIRKTMYURFX-UHFFFAOYSA-N 0 3 396.532 0.274 20 0 GCADHN CN(C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000124039399 1195656216 /nfs/dbraw/zinc/65/62/16/1195656216.db2.gz WTRZUYKEMVTTHC-GOSISDBHSA-N 0 3 394.541 0.763 20 0 GCADHN Cc1ccc2nc(CNC3CCN(S(=O)(=O)N4CCOCC4)CC3)cn2c1 ZINC000328848132 1195670999 /nfs/dbraw/zinc/67/09/99/1195670999.db2.gz AWHZUOJWVALGHE-UHFFFAOYSA-N 0 3 393.513 0.774 20 0 GCADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000328895604 1195675281 /nfs/dbraw/zinc/67/52/81/1195675281.db2.gz BMLARTPXBQYWJU-PMACEKPBSA-N 0 3 397.523 0.326 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000520436031 1195675802 /nfs/dbraw/zinc/67/58/02/1195675802.db2.gz UFDKQIGQSDUIDW-QZTJIDSGSA-N 0 3 380.533 0.594 20 0 GCADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(CCN(C)C)C(C)C ZINC000441433332 1195692208 /nfs/dbraw/zinc/69/22/08/1195692208.db2.gz ZGBYLQIFASOSHQ-UHFFFAOYSA-N 0 3 385.476 0.663 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)CCn2nc3ccccn3c2=O)CC1 ZINC000536311195 1195705844 /nfs/dbraw/zinc/70/58/44/1195705844.db2.gz WRRMBRMETDLDBG-UHFFFAOYSA-N 0 3 389.456 0.277 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)NCCNS(=O)(=O)N(C)C)CC1 ZINC000665016603 1195719335 /nfs/dbraw/zinc/71/93/35/1195719335.db2.gz AEQYDMHRBQVQFN-UHFFFAOYSA-N 0 3 397.545 0.608 20 0 GCADHN COCCOc1ncccc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331155579 1195721614 /nfs/dbraw/zinc/72/16/14/1195721614.db2.gz JEJNHBVOGSXDIC-INIZCTEOSA-N 0 3 376.457 0.485 20 0 GCADHN Cc1noc(CN2CCN(S(=O)(=O)c3ccc(CN(C)C)cc3)CC2)n1 ZINC000331203968 1195723440 /nfs/dbraw/zinc/72/34/40/1195723440.db2.gz RRZLXZRPDZTCEC-UHFFFAOYSA-N 0 3 379.486 0.946 20 0 GCADHN NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NCCc3cn4c(n3)CCCC4)cc21 ZINC000536340023 1195740321 /nfs/dbraw/zinc/74/03/21/1195740321.db2.gz PZIPYVOBMFEQNR-UHFFFAOYSA-N 0 3 395.423 0.492 20 0 GCADHN CN1CCN(C)[C@H](CNC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)C1 ZINC000536356044 1195744558 /nfs/dbraw/zinc/74/45/58/1195744558.db2.gz QTVDYFHVINKMPS-IPMKNSEASA-N 0 3 375.517 0.167 20 0 GCADHN CCN(C)S(=O)(=O)c1ccccc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000579373021 1195745986 /nfs/dbraw/zinc/74/59/86/1195745986.db2.gz NWKJARAIEYRJLX-GOSISDBHSA-N 0 3 381.498 0.514 20 0 GCADHN CCN(C)S(=O)(=O)c1ccccc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000579373022 1195746071 /nfs/dbraw/zinc/74/60/71/1195746071.db2.gz NWKJARAIEYRJLX-SFHVURJKSA-N 0 3 381.498 0.514 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000161642287 1195746680 /nfs/dbraw/zinc/74/66/80/1195746680.db2.gz XTSQYGQAPUHVNH-CQSZACIVSA-N 0 3 396.513 0.248 20 0 GCADHN C[C@H](CNC(=O)N1CCCC[C@@H]1CN1CCOCC1)CN1CCN(C)CC1 ZINC000074657094 1195750437 /nfs/dbraw/zinc/75/04/37/1195750437.db2.gz NQPYTKIIOFXEJZ-RTBURBONSA-N 0 3 381.565 0.766 20 0 GCADHN C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC000983870739 1195750820 /nfs/dbraw/zinc/75/08/20/1195750820.db2.gz ZWIARPYWGUTDEE-LAVFITLUSA-N 0 3 392.544 0.938 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](O)[C@@H](C)C3)cc2)CC1 ZINC000189743460 1195752166 /nfs/dbraw/zinc/75/21/66/1195752166.db2.gz RDKJHEYLEPOHHD-QFBILLFUSA-N 0 3 388.512 0.992 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CCC(=O)N1)CC(C)(C)C ZINC001719866667 1195753242 /nfs/dbraw/zinc/75/32/42/1195753242.db2.gz VPMDXRPROIZVTI-FZKCQIBNSA-N 0 3 378.517 0.881 20 0 GCADHN CCNC(=O)C1(CNC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCC1 ZINC000550414065 1195755166 /nfs/dbraw/zinc/75/51/66/1195755166.db2.gz IEJQFCMCUAZRQE-KRWDZBQOSA-N 0 3 388.512 0.698 20 0 GCADHN O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000729502310 1195768109 /nfs/dbraw/zinc/76/81/09/1195768109.db2.gz SBCWVTZYVDCJQL-HOTGVXAUSA-N 0 3 388.468 0.723 20 0 GCADHN O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000729502310 1195768113 /nfs/dbraw/zinc/76/81/13/1195768113.db2.gz SBCWVTZYVDCJQL-HOTGVXAUSA-N 0 3 388.468 0.723 20 0 GCADHN O=C(NCCNS(=O)(=O)c1ccccc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729502272 1195768425 /nfs/dbraw/zinc/76/84/25/1195768425.db2.gz RUACVUUZSZISMA-HUUCEWRRSA-N 0 3 382.486 0.127 20 0 GCADHN N[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CCC1 ZINC000579461738 1195772803 /nfs/dbraw/zinc/77/28/03/1195772803.db2.gz OBONDYXOTMFLIK-QGZVFWFLSA-N 0 3 395.481 0.418 20 0 GCADHN COc1cc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1OCCO ZINC000729504676 1195774206 /nfs/dbraw/zinc/77/42/06/1195774206.db2.gz JYFADAKNPKUYCT-CVEARBPZSA-N 0 3 379.457 0.729 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1 ZINC000181878802 1195780340 /nfs/dbraw/zinc/78/03/40/1195780340.db2.gz NWVLWMQCJCPXBE-CQSZACIVSA-N 0 3 385.534 0.031 20 0 GCADHN C[C@]1(NC(=O)NCCOCCS(N)(=O)=O)CCN(Cc2ccccc2)C1 ZINC000665107076 1195781585 /nfs/dbraw/zinc/78/15/85/1195781585.db2.gz KBUYPBMENMUHLQ-KRWDZBQOSA-N 0 3 384.502 0.255 20 0 GCADHN O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@@H]1NCCc2ccccc21 ZINC000417564726 1195782705 /nfs/dbraw/zinc/78/27/05/1195782705.db2.gz PAHIQRSWINGCGJ-KRWDZBQOSA-N 0 3 380.514 0.892 20 0 GCADHN CS(=O)(=O)CC1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000895080675 1195786837 /nfs/dbraw/zinc/78/68/37/1195786837.db2.gz ONXGUAXAAQLVSI-BACDZXNISA-N 0 3 387.546 0.830 20 0 GCADHN CN(CCN1CCN(C(=O)NC[C@@H]2COCCO2)CC1)Cc1ccccc1 ZINC000520578389 1195790259 /nfs/dbraw/zinc/79/02/59/1195790259.db2.gz JNPFZDQVLTXZQF-LJQANCHMSA-N 0 3 376.501 0.861 20 0 GCADHN CN(CCN1CCN(C(=O)NC[C@H]2COCCO2)CC1)Cc1ccccc1 ZINC000520578388 1195790452 /nfs/dbraw/zinc/79/04/52/1195790452.db2.gz JNPFZDQVLTXZQF-IBGZPJMESA-N 0 3 376.501 0.861 20 0 GCADHN Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000520611662 1195800043 /nfs/dbraw/zinc/80/00/43/1195800043.db2.gz QYFJKGREMZNEPF-DLBZAZTESA-N 0 3 393.447 0.766 20 0 GCADHN COc1cc2c(cc1OC)CN(CCNC(=O)NC[C@H]1CNCCO1)CC2 ZINC000417667810 1195804806 /nfs/dbraw/zinc/80/48/06/1195804806.db2.gz JCSPMATWECQDMZ-MRXNPFEDSA-N 0 3 378.473 0.350 20 0 GCADHN CCc1ccc([C@@H](CNC(=O)C2CCN(S(N)(=O)=O)CC2)N(C)C)cc1 ZINC000192732468 1195805423 /nfs/dbraw/zinc/80/54/23/1195805423.db2.gz SWRSJAZROSXPOB-QGZVFWFLSA-N 0 3 382.530 0.883 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000193570284 1195813942 /nfs/dbraw/zinc/81/39/42/1195813942.db2.gz JKPJKKLBLMFPQL-QZTJIDSGSA-N 0 3 379.549 0.914 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000193901023 1195814566 /nfs/dbraw/zinc/81/45/66/1195814566.db2.gz QZXPXMQUYAHVCU-AWEZNQCLSA-N 0 3 396.513 0.683 20 0 GCADHN CC(C)(C)N1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000193972245 1195815173 /nfs/dbraw/zinc/81/51/73/1195815173.db2.gz VCBPWKXFDVTOIZ-UHFFFAOYSA-N 0 3 380.470 0.758 20 0 GCADHN CN(C)S(=O)(=O)c1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)n(C)c1 ZINC000184192785 1195816090 /nfs/dbraw/zinc/81/60/90/1195816090.db2.gz OFZXHWHKWHTWQP-UHFFFAOYSA-N 0 3 399.561 0.421 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000665148677 1195818630 /nfs/dbraw/zinc/81/86/30/1195818630.db2.gz CQJHFPARKKRDQQ-UHFFFAOYSA-N 0 3 399.517 0.421 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(C(N)=O)c(C)c2)CC1 ZINC000441725249 1195825924 /nfs/dbraw/zinc/82/59/24/1195825924.db2.gz FWMYUAKHTXAKLU-AWEZNQCLSA-N 0 3 389.500 0.422 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000614656673 1195828155 /nfs/dbraw/zinc/82/81/55/1195828155.db2.gz DSOSIXFIXCDNAA-UHFFFAOYSA-N 0 3 391.497 0.622 20 0 GCADHN O=C(c1cnn(C[C@H](O)CO)c1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000614658306 1195831089 /nfs/dbraw/zinc/83/10/89/1195831089.db2.gz UPLYGTVCTFXYRS-INIZCTEOSA-N 0 3 381.436 0.747 20 0 GCADHN CCc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000507812906 1195843891 /nfs/dbraw/zinc/84/38/91/1195843891.db2.gz IRWWATKLJNRECQ-UHFFFAOYSA-N 0 3 386.496 0.632 20 0 GCADHN C[N@@H+]1CC[C@@H]2CN(C(=O)NCC[N-]S(=O)(=O)c3ccc(F)cc3F)C[C@@H]21 ZINC000520749440 1195845274 /nfs/dbraw/zinc/84/52/74/1195845274.db2.gz DBLFXZJPMDLAEJ-RISCZKNCSA-N 0 3 388.440 0.589 20 0 GCADHN C[N@H+]1CC[C@@H]2CN(C(=O)NCC[N-]S(=O)(=O)c3ccc(F)cc3F)C[C@@H]21 ZINC000520749440 1195845278 /nfs/dbraw/zinc/84/52/78/1195845278.db2.gz DBLFXZJPMDLAEJ-RISCZKNCSA-N 0 3 388.440 0.589 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc1 ZINC000441779871 1195845316 /nfs/dbraw/zinc/84/53/16/1195845316.db2.gz VQSZBZMGDRGUPS-CHWSQXEVSA-N 0 3 392.456 0.373 20 0 GCADHN CN(C)[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)c1ccccc1 ZINC000665201585 1195846600 /nfs/dbraw/zinc/84/66/00/1195846600.db2.gz FWOHRTHHWARMLV-MRXNPFEDSA-N 0 3 376.482 0.966 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)C1 ZINC000520767121 1195850322 /nfs/dbraw/zinc/85/03/22/1195850322.db2.gz CTTMZZCXJNPUTC-MRXNPFEDSA-N 0 3 383.514 0.809 20 0 GCADHN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000427850532 1195884665 /nfs/dbraw/zinc/88/46/65/1195884665.db2.gz JJWDWNMONUVVMC-OLZOCXBDSA-N 0 3 390.440 0.324 20 0 GCADHN CC[C@H](C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)N(C)C ZINC000508031833 1195886776 /nfs/dbraw/zinc/88/67/76/1195886776.db2.gz HZLNNSPGGNLQOW-IAGOWNOFSA-N 0 3 390.532 0.708 20 0 GCADHN CCOC(=O)c1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nc1 ZINC000550448273 1195891524 /nfs/dbraw/zinc/89/15/24/1195891524.db2.gz DGJJXWHEWVRENM-MRXNPFEDSA-N 0 3 376.457 0.931 20 0 GCADHN COCCn1cc(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cn1 ZINC000508118252 1195901350 /nfs/dbraw/zinc/90/13/50/1195901350.db2.gz DYEKFQGHWZHAJJ-FQEVSTJZSA-N 0 3 387.484 0.966 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000428110457 1195913278 /nfs/dbraw/zinc/91/32/78/1195913278.db2.gz GMCXJVPTNOGENL-BBRMVZONSA-N 0 3 377.489 0.988 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000428142437 1195914214 /nfs/dbraw/zinc/91/42/14/1195914214.db2.gz RKCLLLKIOFBORF-ZDUSSCGKSA-N 0 3 395.485 0.649 20 0 GCADHN CN1CCN(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)CC1(C)C ZINC000508296810 1195916396 /nfs/dbraw/zinc/91/63/96/1195916396.db2.gz CNPPBTBPHXUBMK-YQQAZPJKSA-N 0 3 397.589 0.854 20 0 GCADHN COc1cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)ccn1 ZINC000508366638 1195921151 /nfs/dbraw/zinc/92/11/51/1195921151.db2.gz FZHFVIWXWMWJNX-GOOCMWNKSA-N 0 3 389.456 0.229 20 0 GCADHN CN1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCN(C4CC4)C3)c2)CC1 ZINC000441989491 1195939791 /nfs/dbraw/zinc/93/97/91/1195939791.db2.gz WFYSWIZQVMAYQL-SFHVURJKSA-N 0 3 385.512 0.725 20 0 GCADHN C[C@@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000442023276 1195943965 /nfs/dbraw/zinc/94/39/65/1195943965.db2.gz KFCLALVHQROXMM-CEXHIMGSSA-N 0 3 396.513 0.719 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](CC(N)=O)C1CCOCC1 ZINC000442129861 1195956687 /nfs/dbraw/zinc/95/66/87/1195956687.db2.gz FBMBRZPQMFCYLT-QGZVFWFLSA-N 0 3 390.484 0.782 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000442151141 1195958826 /nfs/dbraw/zinc/95/88/26/1195958826.db2.gz DGCBJIFBKIWBLP-UHFFFAOYSA-N 0 3 377.445 0.239 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)CCNC(=O)c3ccc4ccccc4c3)CCN2C1=O ZINC000521069414 1195959847 /nfs/dbraw/zinc/95/98/47/1195959847.db2.gz IXVPJFXZGQLXGB-MSOLQXFVSA-N 0 3 380.448 0.730 20 0 GCADHN COCCO[C@H]1COCC[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000521156689 1195969069 /nfs/dbraw/zinc/96/90/69/1195969069.db2.gz RCAWSQGDOSSMAI-SZMVWBNQSA-N 0 3 385.505 0.702 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F)C1=CCN(C)CC1 ZINC000442329229 1195976654 /nfs/dbraw/zinc/97/66/54/1195976654.db2.gz DUEOEENCFXGJGH-NSHDSACASA-N 0 3 383.445 0.934 20 0 GCADHN COc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1-n1nnnc1C ZINC000442332923 1195977128 /nfs/dbraw/zinc/97/71/28/1195977128.db2.gz JJSWHSOWJGZPHO-LBPRGKRZSA-N 0 3 399.455 0.684 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C)C1=CCN(C)CC1 ZINC000442340274 1195979363 /nfs/dbraw/zinc/97/93/63/1195979363.db2.gz JNQZYLPGNVMZGR-CYBMUJFWSA-N 0 3 394.497 0.642 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(OCC(=O)OC)cc2)CC1 ZINC000521223162 1195980200 /nfs/dbraw/zinc/98/02/00/1195980200.db2.gz XTGHUVHUHPNBFB-UHFFFAOYSA-N 0 3 391.468 0.865 20 0 GCADHN COc1ccc([C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C(C)C)cc1 ZINC000521272866 1195984120 /nfs/dbraw/zinc/98/41/20/1195984120.db2.gz HCYWJHSHCQMZDT-BHYGNILZSA-N 0 3 388.468 0.279 20 0 GCADHN C[C@@H](CNCC(=O)N1CCCCCC1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001271043663 1195992721 /nfs/dbraw/zinc/99/27/21/1195992721.db2.gz LSXSJJUXDSLZAK-LSTDLKDCSA-N 0 3 381.517 0.877 20 0 GCADHN COc1ccc([C@H](CO)N(C)C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000521392234 1195993993 /nfs/dbraw/zinc/99/39/93/1195993993.db2.gz MWKDMKBOBUHDRL-WMZOPIPTSA-N 0 3 375.469 0.884 20 0 GCADHN CN1C(=O)COc2cc(NC(=O)C(=O)NC[C@H]3NCCc4ccccc43)ccc21 ZINC000521408135 1195994856 /nfs/dbraw/zinc/99/48/56/1195994856.db2.gz PFFXLUCGMQGFCW-MRXNPFEDSA-N 0 3 394.431 0.984 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C[C@@H]1O ZINC000521477529 1195997811 /nfs/dbraw/zinc/99/78/11/1195997811.db2.gz QXYYBERVSRPZFD-NJAFHUGGSA-N 0 3 377.460 0.740 20 0 GCADHN CS(=O)(=O)c1cccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000895165252 1196002808 /nfs/dbraw/zinc/00/28/08/1196002808.db2.gz FRGNSJHDWBKSQD-SJORKVTESA-N 0 3 381.498 0.831 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC[C@@H](O)CN2CCCC2=O)C1=O ZINC000442786462 1196003811 /nfs/dbraw/zinc/00/38/11/1196003811.db2.gz BOPJTTFKERRIAF-BFYDXBDKSA-N 0 3 397.516 0.527 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000442788652 1196003863 /nfs/dbraw/zinc/00/38/63/1196003863.db2.gz XBNHGPYMWMHYKT-YESZJQIVSA-N 0 3 399.532 0.236 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC[C@@H](O)CN2CCCC2=O)C1=O ZINC000442786463 1196004171 /nfs/dbraw/zinc/00/41/71/1196004171.db2.gz BOPJTTFKERRIAF-HLLBOEOZSA-N 0 3 397.516 0.527 20 0 GCADHN CCOC1CC(CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000521601894 1196005091 /nfs/dbraw/zinc/00/50/91/1196005091.db2.gz KHKOHJOYBWVNKJ-UHFFFAOYSA-N 0 3 394.516 0.074 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)CC1=O ZINC000521638911 1196008036 /nfs/dbraw/zinc/00/80/36/1196008036.db2.gz GYWOPQOSRSWGIJ-LSDHHAIUSA-N 0 3 377.489 0.135 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](O)Cc2cccc(OC)c2)CC1 ZINC000442948388 1196012870 /nfs/dbraw/zinc/01/28/70/1196012870.db2.gz ACRFIMDWPARSTC-GOSISDBHSA-N 0 3 377.485 0.611 20 0 GCADHN COc1ccc(C)cc1CCNC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000550464021 1196019146 /nfs/dbraw/zinc/01/91/46/1196019146.db2.gz ZWLKUARYUQRLCT-UHFFFAOYSA-N 0 3 390.528 0.806 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N[C@H]3CCc4ccc(F)cc43)C2)nn1 ZINC000521844769 1196019419 /nfs/dbraw/zinc/01/94/19/1196019419.db2.gz BXAIIHXYOLMSCD-RDJZCZTQSA-N 0 3 386.431 0.843 20 0 GCADHN CCCN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)C(C)C)CC1=O ZINC001719895038 1196019621 /nfs/dbraw/zinc/01/96/21/1196019621.db2.gz HJKLNWPPYYORNN-VQHPVUNQSA-N 0 3 378.517 0.833 20 0 GCADHN CCOC(=O)c1cccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000443112581 1196020734 /nfs/dbraw/zinc/02/07/34/1196020734.db2.gz REZJAPWCNCUFLY-UHFFFAOYSA-N 0 3 390.484 0.944 20 0 GCADHN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000443144342 1196022809 /nfs/dbraw/zinc/02/28/09/1196022809.db2.gz KVDVBNUUEJLFPQ-AWEZNQCLSA-N 0 3 391.472 0.404 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000521901935 1196023592 /nfs/dbraw/zinc/02/35/92/1196023592.db2.gz CZQGKENPTXABPJ-IYBDPMFKSA-N 0 3 397.564 0.726 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000521934262 1196026500 /nfs/dbraw/zinc/02/65/00/1196026500.db2.gz ZXHDFBVJJJSFBE-INIZCTEOSA-N 0 3 388.516 0.798 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cn(C(C)(C)C)nc2C)CC1=O ZINC000521942621 1196027345 /nfs/dbraw/zinc/02/73/45/1196027345.db2.gz UISIRAMQJYNHGM-HNNXBMFYSA-N 0 3 379.505 0.855 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000443281178 1196035101 /nfs/dbraw/zinc/03/51/01/1196035101.db2.gz FAHZZWNZSQGXIP-KRWDZBQOSA-N 0 3 383.514 0.694 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1C ZINC000443300824 1196036002 /nfs/dbraw/zinc/03/60/02/1196036002.db2.gz YPNBWDZDPLWSGM-UHFFFAOYSA-N 0 3 391.472 0.500 20 0 GCADHN O=C1CCCN1c1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000443292308 1196036463 /nfs/dbraw/zinc/03/64/63/1196036463.db2.gz CHPYKBTYFWDSOE-UHFFFAOYSA-N 0 3 381.498 0.796 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000443298164 1196037305 /nfs/dbraw/zinc/03/73/05/1196037305.db2.gz SBSULJFXBSGQDZ-OAHLLOKOSA-N 0 3 394.501 0.248 20 0 GCADHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000443331528 1196038988 /nfs/dbraw/zinc/03/89/88/1196038988.db2.gz VYJNVDBQFWPMLG-IXDOHACOSA-N 0 3 382.549 0.527 20 0 GCADHN O=C(c1cc(S(=O)(=O)NCC2CCN(CCO)CC2)c[nH]1)N1CCCC1 ZINC000443323436 1196039559 /nfs/dbraw/zinc/03/95/59/1196039559.db2.gz RPDXAUBGZRSVSC-UHFFFAOYSA-N 0 3 384.502 0.233 20 0 GCADHN O=C(c1cc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c[n-]1)N1CCCC1 ZINC000443323436 1196039562 /nfs/dbraw/zinc/03/95/62/1196039562.db2.gz RPDXAUBGZRSVSC-UHFFFAOYSA-N 0 3 384.502 0.233 20 0 GCADHN NC(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000443434167 1196047406 /nfs/dbraw/zinc/04/74/06/1196047406.db2.gz HELFHLPXDOZUAQ-DLBZAZTESA-N 0 3 381.521 0.080 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCN1CCN1C(=O)CCC1=O ZINC001087576669 1196049791 /nfs/dbraw/zinc/04/97/91/1196049791.db2.gz VVPCSFKFWSBGTI-LXTVHRRPSA-N 0 3 378.473 0.019 20 0 GCADHN O=C(CN1CCN(c2ccccn2)CC1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000608351633 1196053687 /nfs/dbraw/zinc/05/36/87/1196053687.db2.gz HYSOFOCOZXJDBX-IBGZPJMESA-N 0 3 387.528 0.917 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CCN1CCN1C(=O)CCC1=O ZINC001087668685 1196057894 /nfs/dbraw/zinc/05/78/94/1196057894.db2.gz GEUASDMFNLKPJG-LVQVYYBASA-N 0 3 387.484 0.642 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000522188823 1196058029 /nfs/dbraw/zinc/05/80/29/1196058029.db2.gz RRQCCPKTPLQPDG-CZUORRHYSA-N 0 3 397.545 0.980 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)cn1C ZINC000443482019 1196059795 /nfs/dbraw/zinc/05/97/95/1196059795.db2.gz GXZGVHVVSQZWHT-DOTOQJQBSA-N 0 3 399.513 0.858 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1CCc1cnn(CC)c1 ZINC001087724127 1196066107 /nfs/dbraw/zinc/06/61/07/1196066107.db2.gz XWMRUZBAXRDRLR-VVLHAWIVSA-N 0 3 377.489 0.448 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CCN1CCc1cnn(C)c1 ZINC001087724094 1196066328 /nfs/dbraw/zinc/06/63/28/1196066328.db2.gz VRHGZVVQVBGCRQ-MLHJIOFPSA-N 0 3 391.516 0.568 20 0 GCADHN O=C(NCc1nnnn1CC1CC1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000474090338 1196069210 /nfs/dbraw/zinc/06/92/10/1196069210.db2.gz RKCIIKXPPUATSQ-ROUUACIJSA-N 0 3 399.499 0.765 20 0 GCADHN O=S(=O)(c1c[nH]c2ncccc12)N1CCN(CCN2CCCOCC2)CC1 ZINC000429688541 1196076400 /nfs/dbraw/zinc/07/64/00/1196076400.db2.gz XCNDTSVUAXDNRP-UHFFFAOYSA-N 0 3 393.513 0.592 20 0 GCADHN CC(C)(CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)[C@H]1COCC12OCCO2 ZINC000895308497 1196080729 /nfs/dbraw/zinc/08/07/29/1196080729.db2.gz KHDXYZITXXYLGZ-IXDOHACOSA-N 0 3 397.516 0.643 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccc(OC)nc2)CC1 ZINC000550569481 1196089054 /nfs/dbraw/zinc/08/90/54/1196089054.db2.gz NZQRGCMRORXGHI-HNNXBMFYSA-N 0 3 377.489 0.096 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550573885 1196090778 /nfs/dbraw/zinc/09/07/78/1196090778.db2.gz AKAOZGCCPHJQER-IRXDYDNUSA-N 0 3 382.549 0.839 20 0 GCADHN C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccccc1)CN1CCN(C)CC1 ZINC000114140933 1196095334 /nfs/dbraw/zinc/09/53/34/1196095334.db2.gz ZMVKATLYHCEEFV-INIZCTEOSA-N 0 3 382.530 0.307 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1=O ZINC000114178468 1196095907 /nfs/dbraw/zinc/09/59/07/1196095907.db2.gz XWHLOTYVSRZGAE-OAHLLOKOSA-N 0 3 378.448 0.011 20 0 GCADHN NS(=O)(=O)c1ccc(NCC(=O)N2CCN(C3CCCC3)CC2)c(F)c1 ZINC000895629373 1196105167 /nfs/dbraw/zinc/10/51/67/1196105167.db2.gz KEALOQYMYRRSJJ-UHFFFAOYSA-N 0 3 384.477 0.972 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CC(=O)NCCCN2CCN(C)CC2)cc1 ZINC000474295006 1196107272 /nfs/dbraw/zinc/10/72/72/1196107272.db2.gz RGDPWAUNTARIDM-UHFFFAOYSA-N 0 3 382.530 0.233 20 0 GCADHN CCOC(=O)c1nn(C)cc1CN[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000895684503 1196108547 /nfs/dbraw/zinc/10/85/47/1196108547.db2.gz DBOIPMRJWZJCQH-KRWDZBQOSA-N 0 3 379.505 0.483 20 0 GCADHN O=C1NCC2(CCOCC2)[C@H]1NCc1ccc(OCCN2CCOCC2)cc1 ZINC000895767432 1196111748 /nfs/dbraw/zinc/11/17/48/1196111748.db2.gz YRKLXKCAUBLQAV-IBGZPJMESA-N 0 3 389.496 0.782 20 0 GCADHN OCCOCC1(O)CCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000895829486 1196114506 /nfs/dbraw/zinc/11/45/06/1196114506.db2.gz SBUGTSQLPAVBJB-UHFFFAOYSA-N 0 3 394.512 0.733 20 0 GCADHN COC(=O)c1cc(C2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C2)[nH]n1 ZINC000895851847 1196114899 /nfs/dbraw/zinc/11/48/99/1196114899.db2.gz XHPJSTVFRLEQJZ-AWEZNQCLSA-N 0 3 377.445 0.558 20 0 GCADHN Cn1cc([C@@]2(CNC(=O)NC3CCN([C@@H]4CCOC4)CC3)CCCO2)cn1 ZINC000895850916 1196114907 /nfs/dbraw/zinc/11/49/07/1196114907.db2.gz LUMOYRASCFJRID-MJGOQNOKSA-N 0 3 377.489 0.978 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)CC1 ZINC000896163394 1196130276 /nfs/dbraw/zinc/13/02/76/1196130276.db2.gz MGWLDOJSDHTDER-KRWDZBQOSA-N 0 3 376.505 0.803 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1COCCN1CC(F)F ZINC000474723173 1196145989 /nfs/dbraw/zinc/14/59/89/1196145989.db2.gz OEUQWYMCDIMFCO-ZIAGYGMSSA-N 0 3 376.448 0.011 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2nc(C(F)(F)F)no2)CC1 ZINC000896405708 1196147070 /nfs/dbraw/zinc/14/70/70/1196147070.db2.gz MGIMEAPOKWTWHP-UHFFFAOYSA-N 0 3 392.382 0.784 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C1(CC(=O)N2CCOCC2)CCCC1 ZINC000474797838 1196149944 /nfs/dbraw/zinc/14/99/44/1196149944.db2.gz VHWIZENEFDTIFN-GOSISDBHSA-N 0 3 394.560 0.938 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000474788958 1196150551 /nfs/dbraw/zinc/15/05/51/1196150551.db2.gz IJLQPHOLAMULTB-CVEARBPZSA-N 0 3 382.530 0.496 20 0 GCADHN CN(CC(=O)NC(C)(C)CCN1CCN(C)CC1)S(=O)(=O)c1cccnc1 ZINC000474805609 1196151209 /nfs/dbraw/zinc/15/12/09/1196151209.db2.gz CFFZMZLOHRPOGG-UHFFFAOYSA-N 0 3 397.545 0.234 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000474819112 1196152233 /nfs/dbraw/zinc/15/22/33/1196152233.db2.gz ODOKUFIYPKRHDM-INIZCTEOSA-N 0 3 396.557 0.886 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000474817284 1196152290 /nfs/dbraw/zinc/15/22/90/1196152290.db2.gz JMVNEDCYWHSDDW-UHFFFAOYSA-N 0 3 381.521 0.629 20 0 GCADHN CCN1CCN(c2ccc(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000329034388 1196158271 /nfs/dbraw/zinc/15/82/71/1196158271.db2.gz BWDXDAIWTCVGDF-QGZVFWFLSA-N 0 3 381.498 0.372 20 0 GCADHN C[C@]1(n2cc(CN3CCN(C[C@H]4CCOC4)CC3)cn2)CCS(=O)(=O)C1 ZINC000329183174 1196173365 /nfs/dbraw/zinc/17/33/65/1196173365.db2.gz OTRHLCUVQCBAPQ-AEFFLSMTSA-N 0 3 382.530 0.571 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CCN1C ZINC000896618407 1196184238 /nfs/dbraw/zinc/18/42/38/1196184238.db2.gz PSPQQSNBGIPBCC-NFAWXSAZSA-N 0 3 395.504 0.598 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)CC1 ZINC000474878033 1196185116 /nfs/dbraw/zinc/18/51/16/1196185116.db2.gz OPNGJXUSGGKJIJ-INIZCTEOSA-N 0 3 379.505 0.908 20 0 GCADHN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@@H]4CCCN4C)CC3)C2=O)n(C)n1 ZINC000329340441 1196186710 /nfs/dbraw/zinc/18/67/10/1196186710.db2.gz OHFRJCUSXMSUJU-DLBZAZTESA-N 0 3 388.516 0.462 20 0 GCADHN CN(C(=O)NCC(=O)NCC(=O)NCc1ccccc1)[C@H]1CCCN(C)C1 ZINC000896688642 1196196577 /nfs/dbraw/zinc/19/65/77/1196196577.db2.gz PEOVZPUURIGIJI-INIZCTEOSA-N 0 3 375.473 0.155 20 0 GCADHN CCc1c(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000329470306 1196199391 /nfs/dbraw/zinc/19/93/91/1196199391.db2.gz YTDMETHPOXSOIV-IUODEOHRSA-N 0 3 385.468 0.361 20 0 GCADHN CCN1C[C@@H](C)N(CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000329581858 1196206886 /nfs/dbraw/zinc/20/68/86/1196206886.db2.gz LIMSCOKIUSHBQW-XHSDSOJGSA-N 0 3 397.545 0.904 20 0 GCADHN O=C(CN1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000329660960 1196218018 /nfs/dbraw/zinc/21/80/18/1196218018.db2.gz OTVANZXBLYNTNL-SZMVWBNQSA-N 0 3 393.509 0.222 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c(C)o1 ZINC000443870946 1196222919 /nfs/dbraw/zinc/22/29/19/1196222919.db2.gz VVAYOXKTXKHARA-AWEZNQCLSA-N 0 3 385.486 0.823 20 0 GCADHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)c1cccs1 ZINC001271176392 1196224471 /nfs/dbraw/zinc/22/44/71/1196224471.db2.gz DWZIXCUQQVNHQC-ZIAGYGMSSA-N 0 3 378.498 0.631 20 0 GCADHN COc1cccc(N2C[C@@H](NC(=O)N3CCO[C@@H](CN(C)C)C3)CC2=O)c1 ZINC000522664788 1196228055 /nfs/dbraw/zinc/22/80/55/1196228055.db2.gz CEZYOPKWOMLUOD-YOEHRIQHSA-N 0 3 376.457 0.773 20 0 GCADHN COc1cccc(N2C[C@H](NC(=O)N3CCO[C@@H](CN(C)C)C3)CC2=O)c1 ZINC000522664785 1196228088 /nfs/dbraw/zinc/22/80/88/1196228088.db2.gz CEZYOPKWOMLUOD-PBHICJAKSA-N 0 3 376.457 0.773 20 0 GCADHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)C2CN([C@H]3CCOC3)C2)CC1 ZINC000896876909 1196230883 /nfs/dbraw/zinc/23/08/83/1196230883.db2.gz DKMGLBKRYUIFGW-KRWDZBQOSA-N 0 3 380.533 0.450 20 0 GCADHN O=C(N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]2C1)[C@]12CCC[C@H]1OCC2 ZINC001088038278 1196233887 /nfs/dbraw/zinc/23/38/87/1196233887.db2.gz FHKLFIPSJLGXPU-ASKKUZCQSA-N 0 3 390.484 0.278 20 0 GCADHN CO[C@H]1C[C@H](C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)N(C(C)=O)C1 ZINC000329890113 1196236312 /nfs/dbraw/zinc/23/63/12/1196236312.db2.gz FPZPMQGEZBTWHE-QGWWYQLQSA-N 0 3 381.517 0.970 20 0 GCADHN O=C([C@@H]1C[C@H]1C1CCOCC1)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001088038841 1196236418 /nfs/dbraw/zinc/23/64/18/1196236418.db2.gz JIBONDZFMMWLDY-YDZRNGNQSA-N 0 3 390.528 0.855 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001088048639 1196244465 /nfs/dbraw/zinc/24/44/65/1196244465.db2.gz RRYLAJXBTBOHTA-TWMKSMIVSA-N 0 3 377.485 0.731 20 0 GCADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000330030060 1196247514 /nfs/dbraw/zinc/24/75/14/1196247514.db2.gz QZUMYTYPTRRJPB-KXBFYZLASA-N 0 3 392.500 0.893 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CCO1 ZINC000330112768 1196253586 /nfs/dbraw/zinc/25/35/86/1196253586.db2.gz RULVZFUXEDTFCT-JFIYKMOQSA-N 0 3 391.516 0.897 20 0 GCADHN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330133131 1196255512 /nfs/dbraw/zinc/25/55/12/1196255512.db2.gz QXPHSYZPDITMEC-ZBFHGGJFSA-N 0 3 379.505 0.387 20 0 GCADHN O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC000330156551 1196256746 /nfs/dbraw/zinc/25/67/46/1196256746.db2.gz OTTYXGDWFVRVOV-SFHVURJKSA-N 0 3 392.544 0.644 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)N1CCCS1(=O)=O ZINC000330181781 1196258287 /nfs/dbraw/zinc/25/82/87/1196258287.db2.gz OHRBCYJWBUVFHY-RDJZCZTQSA-N 0 3 387.546 0.758 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000330200028 1196259153 /nfs/dbraw/zinc/25/91/53/1196259153.db2.gz WEATVQSBDRYDCY-XIRDDKMYSA-N 0 3 377.485 0.873 20 0 GCADHN O=S(=O)(NCC1CC1)c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)nc1 ZINC000330213749 1196259781 /nfs/dbraw/zinc/25/97/81/1196259781.db2.gz FOVXRTXJNLUXNK-INIZCTEOSA-N 0 3 380.514 0.928 20 0 GCADHN O=C([C@@H]1CCCN1C1CC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000330231961 1196260828 /nfs/dbraw/zinc/26/08/28/1196260828.db2.gz RHXXESNCGQHXSP-SFHVURJKSA-N 0 3 381.484 0.933 20 0 GCADHN COCC[C@H](CO)NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000281051539 1196272790 /nfs/dbraw/zinc/27/27/90/1196272790.db2.gz SKYLSRWYHAIXHP-LJQANCHMSA-N 0 3 378.517 0.891 20 0 GCADHN CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000281077818 1196275961 /nfs/dbraw/zinc/27/59/61/1196275961.db2.gz RHROEMZNBZKQBR-HNNXBMFYSA-N 0 3 390.488 0.247 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCN(C(=O)Cn3cc(Br)cn3)C2)C1=O ZINC001271257878 1196288912 /nfs/dbraw/zinc/28/89/12/1196288912.db2.gz DWLIXKKJZABRFY-INIZCTEOSA-N 0 3 398.305 0.658 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c(OC)c1 ZINC000281345656 1196290747 /nfs/dbraw/zinc/29/07/47/1196290747.db2.gz MSTZDENQDXPZGO-ILXRZTDVSA-N 0 3 394.424 0.652 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C)OCC(=O)N2 ZINC000281378892 1196291031 /nfs/dbraw/zinc/29/10/31/1196291031.db2.gz GMOYKLAULSHHLT-YPMHNXCESA-N 0 3 383.470 0.987 20 0 GCADHN COCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000281458905 1196297071 /nfs/dbraw/zinc/29/70/71/1196297071.db2.gz HIAKKEVNKPBONN-KRWDZBQOSA-N 0 3 395.525 0.730 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000167556081 1196303280 /nfs/dbraw/zinc/30/32/80/1196303280.db2.gz DLPQLHHOARTOSI-AEFFLSMTSA-N 0 3 376.501 0.242 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC000984992048 1196307898 /nfs/dbraw/zinc/30/78/98/1196307898.db2.gz IGDXUPJYAXRGSH-VSZNYVQBSA-N 0 3 386.496 0.979 20 0 GCADHN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000281609554 1196315155 /nfs/dbraw/zinc/31/51/55/1196315155.db2.gz CBRQYASUKPTCSV-CZUORRHYSA-N 0 3 376.457 0.609 20 0 GCADHN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281636760 1196315637 /nfs/dbraw/zinc/31/56/37/1196315637.db2.gz AGIUDUFMVONBJA-UHFFFAOYSA-N 0 3 392.500 0.997 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](CO)CCOC)cc2)CC1 ZINC000281626482 1196316142 /nfs/dbraw/zinc/31/61/42/1196316142.db2.gz VICSZFUZVMNNNM-GOSISDBHSA-N 0 3 392.500 0.276 20 0 GCADHN CC(C)N1CCN(Cc2ccc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(F)c2)CC1 ZINC001168050101 1196326176 /nfs/dbraw/zinc/32/61/76/1196326176.db2.gz LMEKUXYRRMCMEA-XLNTUCKNSA-N 0 3 381.492 0.866 20 0 GCADHN CN1CCN(CCNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1(C)C ZINC000281746722 1196326739 /nfs/dbraw/zinc/32/67/39/1196326739.db2.gz KJYISQNEWNGCBC-UHFFFAOYSA-N 0 3 387.484 0.600 20 0 GCADHN Cc1ccc(CNC(=O)NCC(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281731257 1196327976 /nfs/dbraw/zinc/32/79/76/1196327976.db2.gz JFOKAYAZLMDKDN-UHFFFAOYSA-N 0 3 375.517 0.936 20 0 GCADHN Cc1nc(-c2ccc(NC(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)cc2)n[nH]1 ZINC000281750871 1196329967 /nfs/dbraw/zinc/32/99/67/1196329967.db2.gz ADXPDJZOMVIFJE-UHFFFAOYSA-N 0 3 399.499 0.861 20 0 GCADHN CN1CCN(CCNC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1(C)C ZINC000281749352 1196330246 /nfs/dbraw/zinc/33/02/46/1196330246.db2.gz KPOMNIHZMKXTSO-CVEARBPZSA-N 0 3 375.473 0.099 20 0 GCADHN CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281866927 1196342821 /nfs/dbraw/zinc/34/28/21/1196342821.db2.gz VYCXBZGJULIJKI-UHFFFAOYSA-N 0 3 382.530 0.741 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)c3ncn4ccsc34)C2)OCC1=O ZINC001271379852 1196344311 /nfs/dbraw/zinc/34/43/11/1196344311.db2.gz ZZWSFURCTDJMLR-KRWDZBQOSA-N 0 3 377.470 0.401 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)NC[C@H]1CCN(C3CC3)C1)OCC(=O)N2 ZINC000281935725 1196349697 /nfs/dbraw/zinc/34/96/97/1196349697.db2.gz IGHDGBLALRHGOJ-LLVKDONJSA-N 0 3 381.454 0.789 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)C1(C)C ZINC000444136664 1196350144 /nfs/dbraw/zinc/35/01/44/1196350144.db2.gz CJQNWDQOKBZNRH-KXBFYZLASA-N 0 3 379.457 0.708 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000281947914 1196352399 /nfs/dbraw/zinc/35/23/99/1196352399.db2.gz AIHJZXOGIGYPOR-GJZGRUSLSA-N 0 3 393.513 0.672 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1(C)C ZINC000444170410 1196355375 /nfs/dbraw/zinc/35/53/75/1196355375.db2.gz UGIBKWSKXGRBCW-OXJNMPFZSA-N 0 3 380.533 0.579 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1F ZINC000281982367 1196355916 /nfs/dbraw/zinc/35/59/16/1196355916.db2.gz MOLPVSWETRCGFA-UHFFFAOYSA-N 0 3 394.447 0.693 20 0 GCADHN Cc1noc(C)c1CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104317 1196359436 /nfs/dbraw/zinc/35/94/36/1196359436.db2.gz CZFQYCFPBCQJGJ-YQFWSFKMSA-N 0 3 376.457 0.605 20 0 GCADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)O1 ZINC001088105170 1196361209 /nfs/dbraw/zinc/36/12/09/1196361209.db2.gz WOOLYCCPGHEYSO-VSZNYVQBSA-N 0 3 389.500 0.336 20 0 GCADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)NC[C@@H]2CCCN2CCOC)cn1 ZINC000487464372 1196369275 /nfs/dbraw/zinc/36/92/75/1196369275.db2.gz AARONJBUOQOZJA-JZXOWHBKSA-N 0 3 392.504 0.633 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@H](O)[C@H]3CCOC3)cc2)CC1 ZINC000522962013 1196370924 /nfs/dbraw/zinc/37/09/24/1196370924.db2.gz RVCPDKMARJKLSB-OALUTQOASA-N 0 3 376.501 0.631 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)CNS(=O)(=O)c2cnn(C)c2)c1 ZINC000103113501 1196373320 /nfs/dbraw/zinc/37/33/20/1196373320.db2.gz JQQVLYCHPRHEBJ-UHFFFAOYSA-N 0 3 393.513 0.597 20 0 GCADHN COCc1cccc(CNC(=O)CN2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000103150475 1196374355 /nfs/dbraw/zinc/37/43/55/1196374355.db2.gz DBZRKOSWKXPUDS-UHFFFAOYSA-N 0 3 388.512 0.689 20 0 GCADHN C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150488 1196374376 /nfs/dbraw/zinc/37/43/76/1196374376.db2.gz GLHMYHUXINDPDK-RTBURBONSA-N 0 3 394.560 0.938 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000042871968 1196377037 /nfs/dbraw/zinc/37/70/37/1196377037.db2.gz YLDDQSWUXGLFHF-SFHVURJKSA-N 0 3 394.541 0.810 20 0 GCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000103509777 1196377176 /nfs/dbraw/zinc/37/71/76/1196377176.db2.gz TVMYYKTYUFBVHI-SFHVURJKSA-N 0 3 396.580 0.256 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[S@@](=O)C2)c1 ZINC000475092641 1196379029 /nfs/dbraw/zinc/37/90/29/1196379029.db2.gz FBRXGYAJMXCIOE-YHAMSUFESA-N 0 3 383.514 0.964 20 0 GCADHN COc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1-n1nnnc1C ZINC000729568527 1196381407 /nfs/dbraw/zinc/38/14/07/1196381407.db2.gz SSMCZKKLMHNTAA-LSDHHAIUSA-N 0 3 387.444 0.964 20 0 GCADHN CCN(CCOCCNC(=O)[C@H]1CCCCN1C)C(=O)[C@H]1CCCCN1C ZINC000665594324 1196385148 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/nfs/dbraw/zinc/59/11/89/1196591189.db2.gz VCNZAPLFDXZWSZ-CABCVRRESA-N 0 3 382.486 0.509 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000445913148 1196600364 /nfs/dbraw/zinc/60/03/64/1196600364.db2.gz PTKJLFUTYHZEOQ-UHFFFAOYSA-N 0 3 378.498 0.834 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000508553604 1196610376 /nfs/dbraw/zinc/61/03/76/1196610376.db2.gz ASXKQTBRWBPDRQ-ZBFHGGJFSA-N 0 3 379.505 0.239 20 0 GCADHN CS(=O)(=O)c1ccc(OCCN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000524758045 1196621540 /nfs/dbraw/zinc/62/15/40/1196621540.db2.gz HNDOULWOYQIPJL-UHFFFAOYSA-N 0 3 395.525 0.709 20 0 GCADHN Cc1nc2cc(NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)ccc2n1C ZINC000524763813 1196622343 /nfs/dbraw/zinc/62/23/43/1196622343.db2.gz ZKUXXOZSEWMJFW-CQSZACIVSA-N 0 3 386.500 0.820 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccnc1-n1cccn1)CN1CCN(C)CC1 ZINC000524806523 1196628657 /nfs/dbraw/zinc/62/86/57/1196628657.db2.gz QILBNIQWUFZJCT-HNNXBMFYSA-N 0 3 385.472 0.206 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000446256617 1196629008 /nfs/dbraw/zinc/62/90/08/1196629008.db2.gz BNNFCNVYDSPYJH-CDXJDZJCSA-N 0 3 392.544 0.676 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000446286090 1196630350 /nfs/dbraw/zinc/63/03/50/1196630350.db2.gz BBUYGHZSUBCNFE-WRWLIDTKSA-N 0 3 378.517 0.286 20 0 GCADHN CCN(CC)C(=O)CN1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446289161 1196631654 /nfs/dbraw/zinc/63/16/54/1196631654.db2.gz PNTUIDZZDQROCE-OXFYSEKESA-N 0 3 380.533 0.532 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000446378261 1196639236 /nfs/dbraw/zinc/63/92/36/1196639236.db2.gz ZXFIOWYXKBXTHO-SIIHOXLZSA-N 0 3 394.497 0.724 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2c[nH]nc2-c2nccs2)CC1 ZINC000446461697 1196644606 /nfs/dbraw/zinc/64/46/06/1196644606.db2.gz BVAMFTAWBNXFPH-LBPRGKRZSA-N 0 3 391.501 0.614 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cn(C)nc2C(F)(F)F)CC1 ZINC000446460152 1196644795 /nfs/dbraw/zinc/64/47/95/1196644795.db2.gz XWPBRWOIWGYJDP-UHFFFAOYSA-N 0 3 390.410 0.521 20 0 GCADHN CN(CCNC(=O)C1CCN(C(=O)[C@@H]2COCCO2)CC1)Cc1ccccc1 ZINC000525086045 1196647971 /nfs/dbraw/zinc/64/79/71/1196647971.db2.gz WGJIHCJQOFUCPN-IBGZPJMESA-N 0 3 389.496 0.889 20 0 GCADHN COc1ccc(CNC(=O)CN2CC[C@@H](CN3CCOCC3)C2)cc1OC ZINC000525121577 1196651257 /nfs/dbraw/zinc/65/12/57/1196651257.db2.gz TUSOCMLNFXFIRU-KRWDZBQOSA-N 0 3 377.485 0.974 20 0 GCADHN COCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000525280697 1196662988 /nfs/dbraw/zinc/66/29/88/1196662988.db2.gz USGOOVMZSQIIJH-OAHLLOKOSA-N 0 3 378.473 0.532 20 0 GCADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000525292686 1196665150 /nfs/dbraw/zinc/66/51/50/1196665150.db2.gz OPAJJDCZKGUQOX-UHFFFAOYSA-N 0 3 398.529 0.982 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000525293264 1196665267 /nfs/dbraw/zinc/66/52/67/1196665267.db2.gz JWAZMWPELBUNIP-OAHLLOKOSA-N 0 3 381.498 0.779 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCNC(=O)[C@@H]2c2cccs2)CC1 ZINC000525302727 1196666295 /nfs/dbraw/zinc/66/62/95/1196666295.db2.gz NKNYUCWIVBYNIQ-INIZCTEOSA-N 0 3 379.530 0.958 20 0 GCADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnn(C(C)(C)C)n1 ZINC001719903773 1196670639 /nfs/dbraw/zinc/67/06/39/1196670639.db2.gz HBWBMAVUGVYQHE-MCIONIFRSA-N 0 3 377.493 0.630 20 0 GCADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@H]1C ZINC000525387124 1196676567 /nfs/dbraw/zinc/67/65/67/1196676567.db2.gz XTPNKAAWVLSCAC-VXGBXAGGSA-N 0 3 395.485 0.527 20 0 GCADHN CN1C(=O)C[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H]1c1cccnc1 ZINC000525390701 1196677705 /nfs/dbraw/zinc/67/77/05/1196677705.db2.gz FRSLHYBOGNHVIW-XLIONFOSSA-N 0 3 399.495 0.368 20 0 GCADHN CC(C)[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCC(=O)Nc1cnccn1 ZINC001271869887 1196683633 /nfs/dbraw/zinc/68/36/33/1196683633.db2.gz SGYSZYDTFOOLPI-YRBFXIGRSA-N 0 3 375.473 0.961 20 0 GCADHN Cc1cc(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)ccc1S(N)(=O)=O ZINC000447002394 1196687958 /nfs/dbraw/zinc/68/79/58/1196687958.db2.gz AKRZRXHSKGPNLL-MRXNPFEDSA-N 0 3 398.529 0.895 20 0 GCADHN C[C@@H](CCCO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000447010617 1196688200 /nfs/dbraw/zinc/68/82/00/1196688200.db2.gz KSGIAVUYAKAWMK-LBPRGKRZSA-N 0 3 378.429 0.372 20 0 GCADHN COc1ccc(CN(C(=O)C[C@@H]2CNCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000429695819 1196693360 /nfs/dbraw/zinc/69/33/60/1196693360.db2.gz ISUWYZAKFHNCID-NVXWUHKLSA-N 0 3 382.482 0.589 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccc2c(c1)OCO2 ZINC000429701375 1196693806 /nfs/dbraw/zinc/69/38/06/1196693806.db2.gz KPJBXQWBGVWSOR-ZIAGYGMSSA-N 0 3 383.470 0.482 20 0 GCADHN FC(F)(F)COCCn1nnnc1CN1CCC(CN2CCOCC2)CC1 ZINC000447157015 1196696681 /nfs/dbraw/zinc/69/66/81/1196696681.db2.gz BLMBIYPCBXWNRI-UHFFFAOYSA-N 0 3 392.426 0.796 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000525704389 1196702034 /nfs/dbraw/zinc/70/20/34/1196702034.db2.gz PIOURRRXRDTHAA-GASCZTMLSA-N 0 3 385.468 0.947 20 0 GCADHN Cc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)CN4CCCC4)CC3)n2)cc1 ZINC000487528206 1196702295 /nfs/dbraw/zinc/70/22/95/1196702295.db2.gz JIJFQAXNCIDFGZ-UHFFFAOYSA-N 0 3 397.483 0.415 20 0 GCADHN CC(=O)N1CCN(CCOc2ccc(CCNCc3cn(C)nn3)cc2)CC1 ZINC000525709678 1196704095 /nfs/dbraw/zinc/70/40/95/1196704095.db2.gz BDIDDWMIHHTDEI-UHFFFAOYSA-N 0 3 386.500 0.690 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000428478765 1196706137 /nfs/dbraw/zinc/70/61/37/1196706137.db2.gz HHSOBALAGQUEFD-NVXWUHKLSA-N 0 3 397.545 0.954 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000428479113 1196709712 /nfs/dbraw/zinc/70/97/12/1196709712.db2.gz XZHJBLGHWKGCII-KRWDZBQOSA-N 0 3 397.545 0.783 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)N(C)C)cc1 ZINC000525802379 1196711207 /nfs/dbraw/zinc/71/12/07/1196711207.db2.gz HSQJJDWMBZHYIQ-QGZVFWFLSA-N 0 3 397.479 0.766 20 0 GCADHN C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000447430550 1196717850 /nfs/dbraw/zinc/71/78/50/1196717850.db2.gz HETFVSWWJKIEER-CQSZACIVSA-N 0 3 388.468 0.570 20 0 GCADHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000447420500 1196719046 /nfs/dbraw/zinc/71/90/46/1196719046.db2.gz ALDHPYQUCLZJHC-UHFFFAOYSA-N 0 3 389.435 0.978 20 0 GCADHN C[C@H](CNC(=O)c1cc2c(nc3ccccn3c2=O)n1C)CN1CCN(C)CC1 ZINC000525882681 1196720988 /nfs/dbraw/zinc/72/09/88/1196720988.db2.gz VPLLRLCBSGTAIL-OAHLLOKOSA-N 0 3 396.495 0.800 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c2ccccc2O1 ZINC000525909971 1196723937 /nfs/dbraw/zinc/72/39/37/1196723937.db2.gz WEZQXXOWMDGQLH-SUMWQHHRSA-N 0 3 387.436 0.720 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c2ccccc2O1 ZINC000525909970 1196724205 /nfs/dbraw/zinc/72/42/05/1196724205.db2.gz WEZQXXOWMDGQLH-GUYCJALGSA-N 0 3 387.436 0.720 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCC[C@]3(C)CO)cc21 ZINC000525899730 1196724974 /nfs/dbraw/zinc/72/49/74/1196724974.db2.gz QKTDVCXFDGFLJX-LJQANCHMSA-N 0 3 390.440 0.468 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)CC1=O ZINC000526034420 1196733089 /nfs/dbraw/zinc/73/30/89/1196733089.db2.gz LGMKTWDUBZBYHD-NSHDSACASA-N 0 3 391.403 0.231 20 0 GCADHN C[C@H](N[C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)NC(=O)NCc1ccccc1 ZINC000429718464 1196736232 /nfs/dbraw/zinc/73/62/32/1196736232.db2.gz NDKRZBPZAXLAMH-CWRNSKLLSA-N 0 3 396.513 0.851 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)NC(=O)NCc1ccccc1 ZINC000429720464 1196736260 /nfs/dbraw/zinc/73/62/60/1196736260.db2.gz QDVMGUYAODJCJY-LSDHHAIUSA-N 0 3 382.486 0.462 20 0 GCADHN CCN(C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000526110492 1196741810 /nfs/dbraw/zinc/74/18/10/1196741810.db2.gz LQYXFYNHTUDYTB-CQSZACIVSA-N 0 3 397.497 0.731 20 0 GCADHN CCc1cccc2c1N(C(=O)C(=O)N(CCOCCO)CCN(C)C)CC2 ZINC000526138252 1196743249 /nfs/dbraw/zinc/74/32/49/1196743249.db2.gz IROLRYOQGCRRMO-UHFFFAOYSA-N 0 3 377.485 0.537 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000526124765 1196743684 /nfs/dbraw/zinc/74/36/84/1196743684.db2.gz CPRYWHJKLTYBBP-KRWDZBQOSA-N 0 3 398.463 0.908 20 0 GCADHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000447758728 1196745581 /nfs/dbraw/zinc/74/55/81/1196745581.db2.gz NMZYYJDLDGSCOU-NRFANRHFSA-N 0 3 399.495 0.789 20 0 GCADHN C[C@@H]1CN(C(=O)CN(C)C2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CCO1 ZINC000985665079 1196748554 /nfs/dbraw/zinc/74/85/54/1196748554.db2.gz SIPLXFMWXOHJEI-DDBAPUKQSA-N 0 3 379.501 0.724 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000526964241 1196752763 /nfs/dbraw/zinc/75/27/63/1196752763.db2.gz MGVVJVJJMAVBQF-UHFFFAOYSA-N 0 3 379.461 0.868 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)CN[C@@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447907992 1196756106 /nfs/dbraw/zinc/75/61/06/1196756106.db2.gz UEZFDQXTXXPRJM-PMACEKPBSA-N 0 3 391.512 0.859 20 0 GCADHN Cc1cc(N2CCN(C(=O)CN[C@H](CO)[C@@H]3CCCO3)CC2)nc(C(C)C)n1 ZINC000447907686 1196756424 /nfs/dbraw/zinc/75/64/24/1196756424.db2.gz ALGUWRASAFCATE-SJORKVTESA-N 0 3 391.516 0.687 20 0 GCADHN O=C(CN[C@@H](CO)[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000447909988 1196756995 /nfs/dbraw/zinc/75/69/95/1196756995.db2.gz DZHVYIDSUIBFPT-AZUAARDMSA-N 0 3 389.496 0.395 20 0 GCADHN C[C@@H](NC(=O)[C@H](C)N[C@H](CO)[C@@H]1CCCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000447911905 1196757422 /nfs/dbraw/zinc/75/74/22/1196757422.db2.gz IUUGDXYIMVSGMQ-KOZAUXTDSA-N 0 3 385.486 0.029 20 0 GCADHN COC(=O)c1cccc(NC(=O)CN2CC[C@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000527047844 1196759246 /nfs/dbraw/zinc/75/92/46/1196759246.db2.gz GFAGWMLPQNZTDK-INIZCTEOSA-N 0 3 389.500 0.907 20 0 GCADHN O=C(CN[C@@H](CO)[C@H]1CCCO1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000447925762 1196760619 /nfs/dbraw/zinc/76/06/19/1196760619.db2.gz ZVWLLPLDLODNGN-ZWKOTPCHSA-N 0 3 375.469 0.537 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000665943479 1196765879 /nfs/dbraw/zinc/76/58/79/1196765879.db2.gz VXPUDFLWAAYDDT-INIZCTEOSA-N 0 3 391.582 0.923 20 0 GCADHN CCNC(=O)c1cccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000527138233 1196769412 /nfs/dbraw/zinc/76/94/12/1196769412.db2.gz JKWMKCYMQGHZOB-UHFFFAOYSA-N 0 3 389.500 0.471 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000527135211 1196769514 /nfs/dbraw/zinc/76/95/14/1196769514.db2.gz GQMHBGUHWMJNIL-QGZVFWFLSA-N 0 3 380.514 0.691 20 0 GCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000448032362 1196770189 /nfs/dbraw/zinc/77/01/89/1196770189.db2.gz VHWWLBRQONHAKO-OAHLLOKOSA-N 0 3 381.521 0.485 20 0 GCADHN O=C(CN[C@@H]1CCCCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCC1 ZINC001088351868 1196771089 /nfs/dbraw/zinc/77/10/89/1196771089.db2.gz NNUJJWKIAKSCKV-MJQMVNBJSA-N 0 3 379.501 0.631 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCN1CCCOCC1 ZINC000527331815 1196780595 /nfs/dbraw/zinc/78/05/95/1196780595.db2.gz NFRZELMENCWVAV-UHFFFAOYSA-N 0 3 378.473 0.534 20 0 GCADHN Cn1ccnc1CC1CCN(C(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC000448207973 1196780920 /nfs/dbraw/zinc/78/09/20/1196780920.db2.gz CMQWACCUPMFNOZ-INIZCTEOSA-N 0 3 376.505 0.724 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000448223415 1196782214 /nfs/dbraw/zinc/78/22/14/1196782214.db2.gz DHIFHAORNIPTTH-KRWDZBQOSA-N 0 3 388.468 0.931 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CCO)C1CCOCC1 ZINC000527439179 1196786660 /nfs/dbraw/zinc/78/66/60/1196786660.db2.gz VXURFEVNFUQRMO-UHFFFAOYSA-N 0 3 379.457 0.695 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000527438703 1196787393 /nfs/dbraw/zinc/78/73/93/1196787393.db2.gz CXWMFPMVBOKCRQ-UONOGXRCSA-N 0 3 376.457 0.856 20 0 GCADHN COC[C@H]1CN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C[C@@H](C)O1 ZINC000527495455 1196791354 /nfs/dbraw/zinc/79/13/54/1196791354.db2.gz IVICDSSVHMJSFB-UKRRQHHQSA-N 0 3 379.457 0.958 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCCCCO)cc21 ZINC000448319590 1196791604 /nfs/dbraw/zinc/79/16/04/1196791604.db2.gz RNHVAAXOZXXUBS-UHFFFAOYSA-N 0 3 378.429 0.373 20 0 GCADHN COc1cc(Cl)ccc1C(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001271948148 1196791610 /nfs/dbraw/zinc/79/16/10/1196791610.db2.gz BQGDAXIBEQIQTA-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000448318234 1196791660 /nfs/dbraw/zinc/79/16/60/1196791660.db2.gz APUNTFMWWJYCIQ-OAHLLOKOSA-N 0 3 390.488 0.337 20 0 GCADHN COc1cccc(Cl)c1C(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001271948084 1196791674 /nfs/dbraw/zinc/79/16/74/1196791674.db2.gz AYDRYWBAODOHBH-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN COc1cccc(Cl)c1C(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001271949622 1196793710 /nfs/dbraw/zinc/79/37/10/1196793710.db2.gz MJYAGIQQIZGRIZ-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN COc1ccc(C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)cc1Cl ZINC001271950278 1196795729 /nfs/dbraw/zinc/79/57/29/1196795729.db2.gz RTZFWJOXKKPQMB-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN COCCOC1CCC(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000475656015 1196801724 /nfs/dbraw/zinc/80/17/24/1196801724.db2.gz MEAFQFBKVZSUGJ-UHFFFAOYSA-N 0 3 381.517 0.975 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3C[C@H](O)C(C)(C)C3)cc21 ZINC000448435170 1196801971 /nfs/dbraw/zinc/80/19/71/1196801971.db2.gz SFVJFLKELCJSOE-HNNXBMFYSA-N 0 3 390.440 0.324 20 0 GCADHN CN(C)C(=O)CN1CCC(NC(=O)N2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000527773464 1196816821 /nfs/dbraw/zinc/81/68/21/1196816821.db2.gz RKUYYILQESRQQN-UHFFFAOYSA-N 0 3 395.548 0.435 20 0 GCADHN CC(=O)c1cn(CC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)nn1 ZINC000448676850 1196824202 /nfs/dbraw/zinc/82/42/02/1196824202.db2.gz JVHGRMLRIXIEDM-IBGZPJMESA-N 0 3 384.484 0.976 20 0 GCADHN COCCCNC(=O)C1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000369045826 1196836446 /nfs/dbraw/zinc/83/64/46/1196836446.db2.gz AZNCIEGLIDGIGK-IRXDYDNUSA-N 0 3 382.505 0.424 20 0 GCADHN CCOC(=O)c1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[nH]c1C ZINC000448904961 1196838564 /nfs/dbraw/zinc/83/85/64/1196838564.db2.gz WLFSFLDEHLIEGO-UHFFFAOYSA-N 0 3 376.457 0.880 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(C(F)(F)F)nn2C)CC1 ZINC000528333961 1196850484 /nfs/dbraw/zinc/85/04/84/1196850484.db2.gz LBTCJYZGYTYZKO-LBPRGKRZSA-N 0 3 397.467 0.991 20 0 GCADHN OC[C@@H]1CN(Cc2cc(Cl)cc(CN3C[C@@H](CO)[C@H](CO)C3)c2)C[C@H]1CO ZINC000528599653 1196869555 /nfs/dbraw/zinc/86/95/55/1196869555.db2.gz RIDLGJWRJXQJMI-VJANTYMQSA-N 0 3 398.931 0.405 20 0 GCADHN O=S(=O)(c1ccccc1CN[C@H]1CCCN(CCCO)C1)N1CCOCC1 ZINC000449396701 1196871452 /nfs/dbraw/zinc/87/14/52/1196871452.db2.gz MHVOHWIGUGOUNC-SFHVURJKSA-N 0 3 397.541 0.644 20 0 GCADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn2c1OCCC2 ZINC001719904249 1196876286 /nfs/dbraw/zinc/87/62/86/1196876286.db2.gz WOGBTMGZWMAXPQ-BMFZPTHFSA-N 0 3 375.473 0.868 20 0 GCADHN CC(C)NC(=O)CN1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528713857 1196880476 /nfs/dbraw/zinc/88/04/76/1196880476.db2.gz JUUCACKJXJPDRA-UHFFFAOYSA-N 0 3 375.473 0.843 20 0 GCADHN COc1cccc(NC(=O)CCN2CCCN(C(=O)CNC(C)=O)CC2)c1 ZINC000528735239 1196885280 /nfs/dbraw/zinc/88/52/80/1196885280.db2.gz RSUQILNMMRHGCH-UHFFFAOYSA-N 0 3 376.457 0.694 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529058060 1196901896 /nfs/dbraw/zinc/90/18/96/1196901896.db2.gz VCAHHVZDOUAFGJ-KRWDZBQOSA-N 0 3 388.512 0.915 20 0 GCADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000371583371 1196910105 /nfs/dbraw/zinc/91/01/05/1196910105.db2.gz YSLDZHVAKKDUBM-KGLIPLIRSA-N 0 3 375.425 0.700 20 0 GCADHN Cc1c(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cnn(C)c1 ZINC000450122023 1196912962 /nfs/dbraw/zinc/91/29/62/1196912962.db2.gz MEMLBDREQYJMDH-OKILXGFUSA-N 0 3 375.477 0.928 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)NCC1(N(C)C)CCOCC1)OCC(=O)N2 ZINC000282026805 1196919369 /nfs/dbraw/zinc/91/93/69/1196919369.db2.gz QZVLDGBANJXEJI-UHFFFAOYSA-N 0 3 399.469 0.415 20 0 GCADHN CN1c2ccc(C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)cc2C(C)(C)S1(=O)=O ZINC000529385951 1196919484 /nfs/dbraw/zinc/91/94/84/1196919484.db2.gz FQPOFAZCTJQRRC-GJZGRUSLSA-N 0 3 393.509 0.982 20 0 GCADHN O=C(NC[C@@H]1CCCCN1CCO)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529441771 1196922281 /nfs/dbraw/zinc/92/22/81/1196922281.db2.gz IROBHMBBDLAZNZ-SFHVURJKSA-N 0 3 375.469 0.736 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000120889175 1196925938 /nfs/dbraw/zinc/92/59/38/1196925938.db2.gz SYGGJFZJMZEEQA-RHSMWYFYSA-N 0 3 376.501 0.718 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](CC(C)(C)C(N)=O)C2)n1 ZINC000450634600 1196946187 /nfs/dbraw/zinc/94/61/87/1196946187.db2.gz GPKAVCFXSVBJHA-ZDUSSCGKSA-N 0 3 379.509 0.058 20 0 GCADHN O=C(CCN1CCCN(C(=O)C2CC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000121314481 1196955986 /nfs/dbraw/zinc/95/59/86/1196955986.db2.gz YMUAFHIFQUMOCL-UHFFFAOYSA-N 0 3 386.500 0.460 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccnc(OCC(F)(F)F)c3)CCN2C1=O ZINC000582372007 1196957604 /nfs/dbraw/zinc/95/76/04/1196957604.db2.gz UEYLTPMIVSSYAC-RYUDHWBXSA-N 0 3 387.362 0.476 20 0 GCADHN CCn1cc([C@@H](C)Nc2nc(NC)nc(N[C@@H](C)c3cnn(CC)c3)n2)cn1 ZINC000450876951 1196958358 /nfs/dbraw/zinc/95/83/58/1196958358.db2.gz PYUUXRQQCDUCIV-BETUJISGSA-N 0 3 384.492 0.958 20 0 GCADHN CN(C)CCn1cc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)ccc1=O ZINC000530152964 1196965392 /nfs/dbraw/zinc/96/53/92/1196965392.db2.gz HKVITTOZJWHMNE-UHFFFAOYSA-N 0 3 393.391 0.963 20 0 GCADHN CNC(=O)c1ccc(CS(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000451225962 1196981444 /nfs/dbraw/zinc/98/14/44/1196981444.db2.gz ICSACHLGIMUIBS-QGZVFWFLSA-N 0 3 383.514 0.558 20 0 GCADHN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000530431042 1196987374 /nfs/dbraw/zinc/98/73/74/1196987374.db2.gz MYKZZAWYHFVTEF-ZACQAIPSSA-N 0 3 387.546 0.758 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451491394 1196995379 /nfs/dbraw/zinc/99/53/79/1196995379.db2.gz BOCFZJMOBGMSKD-UHNFBRDESA-N 0 3 385.486 0.930 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000530565385 1196996340 /nfs/dbraw/zinc/99/63/40/1196996340.db2.gz QMOMJSUOVRPDNK-UHFFFAOYSA-N 0 3 395.511 0.989 20 0 GCADHN Cc1c(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000530567141 1196996873 /nfs/dbraw/zinc/99/68/73/1196996873.db2.gz BKBKDASZHRYVKH-CQSZACIVSA-N 0 3 385.468 0.881 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)CC1=O ZINC000530571941 1196997368 /nfs/dbraw/zinc/99/73/68/1196997368.db2.gz DOSBTUUOPSJETL-ZDUSSCGKSA-N 0 3 392.422 0.314 20 0 GCADHN CC(=O)[C@H](NC(=O)CN1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1)C(C)C ZINC000451533849 1196997631 /nfs/dbraw/zinc/99/76/31/1196997631.db2.gz WYJBATJFOLLKPW-PZJWPPBQSA-N 0 3 394.560 0.982 20 0 GCADHN CC(=O)[C@@H](NC(=O)CN1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1)C(C)C ZINC000451533847 1196997728 /nfs/dbraw/zinc/99/77/28/1196997728.db2.gz WYJBATJFOLLKPW-FPOVZHCZSA-N 0 3 394.560 0.982 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2F)CC1 ZINC000530681287 1197008046 /nfs/dbraw/zinc/00/80/46/1197008046.db2.gz JZCZNIWDNUBQFS-UHFFFAOYSA-N 0 3 394.447 0.695 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c(OC)c1 ZINC000451662414 1197008371 /nfs/dbraw/zinc/00/83/71/1197008371.db2.gz IRXQKYYNHBHYFS-HLLBOEOZSA-N 0 3 396.484 0.608 20 0 GCADHN C[C@@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CCN(Cc2ccccc2)C1 ZINC000451702625 1197009524 /nfs/dbraw/zinc/00/95/24/1197009524.db2.gz CKBDVPKVTCUKID-HNNXBMFYSA-N 0 3 399.495 0.303 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)cc2)CC1 ZINC000530733596 1197010819 /nfs/dbraw/zinc/01/08/19/1197010819.db2.gz SGLCCXVCKLFYAN-OAHLLOKOSA-N 0 3 389.500 0.356 20 0 GCADHN COC(=O)c1n[nH]c2c1CN(CC(=O)NC[C@H](c1ccccc1)N(C)C)CC2 ZINC000451742606 1197012831 /nfs/dbraw/zinc/01/28/31/1197012831.db2.gz HMLJREMRZDPFBH-QGZVFWFLSA-N 0 3 385.468 0.974 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)N2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000530735141 1197014098 /nfs/dbraw/zinc/01/40/98/1197014098.db2.gz MMXDXHLGSUBDCI-MSOLQXFVSA-N 0 3 398.573 0.983 20 0 GCADHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000451772396 1197014349 /nfs/dbraw/zinc/01/43/49/1197014349.db2.gz KEVSAXZOJAPGNZ-DFBGVHRSSA-N 0 3 383.470 0.982 20 0 GCADHN CC(=O)N[C@@H](CC(=O)NCCCCN1CCN(c2ccccc2)CC1)C(N)=O ZINC000530813111 1197018743 /nfs/dbraw/zinc/01/87/43/1197018743.db2.gz SJGRUBSCUHJFDB-SFHVURJKSA-N 0 3 389.500 0.085 20 0 GCADHN C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000530819253 1197019225 /nfs/dbraw/zinc/01/92/25/1197019225.db2.gz ZCAQLGZATJMGJQ-CQSZACIVSA-N 0 3 396.513 0.066 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000122255894 1197020220 /nfs/dbraw/zinc/02/02/20/1197020220.db2.gz LSIICBHFIHVLRV-INIZCTEOSA-N 0 3 378.521 0.161 20 0 GCADHN CN1CCN(CCCCNC(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000530866380 1197023261 /nfs/dbraw/zinc/02/32/61/1197023261.db2.gz TWGLIRPSUVXQHK-UHFFFAOYSA-N 0 3 393.536 0.364 20 0 GCADHN COC[C@@]1(CO)CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000451930344 1197024235 /nfs/dbraw/zinc/02/42/35/1197024235.db2.gz QRLGDTVXZBGYFJ-IBGZPJMESA-N 0 3 383.533 0.469 20 0 GCADHN CCO[C@@H]1CCC[C@H]1NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000452027330 1197033670 /nfs/dbraw/zinc/03/36/70/1197033670.db2.gz WBSLHEJBAAVJFH-YLFCFFPRSA-N 0 3 388.530 0.728 20 0 GCADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000530972622 1197034113 /nfs/dbraw/zinc/03/41/13/1197034113.db2.gz NJZSNXFIEQLGCO-ZDUSSCGKSA-N 0 3 376.457 0.936 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000531013830 1197039022 /nfs/dbraw/zinc/03/90/22/1197039022.db2.gz OSGQVXHSKMHSQH-GASCZTMLSA-N 0 3 383.514 0.882 20 0 GCADHN CSc1nnnn1-c1cccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000531044436 1197041978 /nfs/dbraw/zinc/04/19/78/1197041978.db2.gz QAJYHRQIDRPUCA-GFCCVEGCSA-N 0 3 389.485 0.781 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc3nsnc31)C2 ZINC001111523642 1197051750 /nfs/dbraw/zinc/05/17/50/1197051750.db2.gz DLUKBHDDBYMDSM-XOUADPBQSA-N 0 3 376.482 0.963 20 0 GCADHN O=C(NC[C@H]1CCCCN1CCO)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000452385824 1197055758 /nfs/dbraw/zinc/05/57/58/1197055758.db2.gz DNUIOKZGCYHSCA-QZTJIDSGSA-N 0 3 375.469 0.377 20 0 GCADHN Cn1c(C(=O)NC[C@@H]2CCCN2CCCO)cc2c1nc1ccccn1c2=O ZINC000452361637 1197056358 /nfs/dbraw/zinc/05/63/58/1197056358.db2.gz KAHSDMUFUIIAFO-AWEZNQCLSA-N 0 3 383.452 0.763 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC000452377992 1197057774 /nfs/dbraw/zinc/05/77/74/1197057774.db2.gz TVRLVTATFXVDOQ-HOTGVXAUSA-N 0 3 383.514 0.625 20 0 GCADHN NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CCCCN1CCO ZINC000452389211 1197060279 /nfs/dbraw/zinc/06/02/79/1197060279.db2.gz LPDXCWXPRQLHBN-QAPCUYQASA-N 0 3 387.484 0.710 20 0 GCADHN COc1ccc([C@@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)N2CCCC2)cc1 ZINC000531281557 1197061906 /nfs/dbraw/zinc/06/19/06/1197061906.db2.gz RYQWZAIYPAAEFR-DLBZAZTESA-N 0 3 376.457 0.328 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)NCCN2CCC(C)CC2)C[C@@H]1c1cnn(C)c1 ZINC000375452415 1197075455 /nfs/dbraw/zinc/07/54/55/1197075455.db2.gz HLNSOOAICLBYPZ-SJORKVTESA-N 0 3 376.505 0.623 20 0 GCADHN CN(C(=O)CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCCC1 ZINC000531536366 1197082047 /nfs/dbraw/zinc/08/20/47/1197082047.db2.gz YMNUUEIQVYPOPS-UHFFFAOYSA-N 0 3 393.532 0.727 20 0 GCADHN Cc1oc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1S(N)(=O)=O ZINC000531583112 1197085882 /nfs/dbraw/zinc/08/58/82/1197085882.db2.gz DIMIARYJVYCDKJ-CQSZACIVSA-N 0 3 384.502 0.476 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000531587046 1197086186 /nfs/dbraw/zinc/08/61/86/1197086186.db2.gz PYUOELVGWSZNRH-MRXNPFEDSA-N 0 3 395.529 0.966 20 0 GCADHN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000531600834 1197087064 /nfs/dbraw/zinc/08/70/64/1197087064.db2.gz ARMKPOLZFDMLOT-INIZCTEOSA-N 0 3 379.505 0.335 20 0 GCADHN C[C@@H](CNC(=O)NCc1ccc2c(c1)CCS2(=O)=O)CN1CCN(C)CC1 ZINC000531806779 1197098761 /nfs/dbraw/zinc/09/87/61/1197098761.db2.gz RCXIUYMQCRFDLP-HNNXBMFYSA-N 0 3 394.541 0.699 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1)N1CCCC1 ZINC000531840180 1197100299 /nfs/dbraw/zinc/10/02/99/1197100299.db2.gz XOPHTBJBAQBXFB-GFCCVEGCSA-N 0 3 385.461 0.909 20 0 GCADHN COC(=O)Cc1cccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000531923637 1197104233 /nfs/dbraw/zinc/10/42/33/1197104233.db2.gz IKSZDTKECZGEOP-UHFFFAOYSA-N 0 3 390.484 0.484 20 0 GCADHN Cc1c(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cccc1-n1cnnn1 ZINC000531976102 1197105800 /nfs/dbraw/zinc/10/58/00/1197105800.db2.gz KBMIXXARCJWIEC-QGZVFWFLSA-N 0 3 398.471 0.741 20 0 GCADHN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000532094515 1197113061 /nfs/dbraw/zinc/11/30/61/1197113061.db2.gz WAVHMQAEDRILKV-SJORKVTESA-N 0 3 389.548 0.965 20 0 GCADHN CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000532094513 1197113224 /nfs/dbraw/zinc/11/32/24/1197113224.db2.gz WAVHMQAEDRILKV-IAGOWNOFSA-N 0 3 389.548 0.965 20 0 GCADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000532097721 1197113636 /nfs/dbraw/zinc/11/36/36/1197113636.db2.gz KESIPIBDKHGJAN-AEFFLSMTSA-N 0 3 394.541 0.515 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC ZINC000453641429 1197115840 /nfs/dbraw/zinc/11/58/40/1197115840.db2.gz IFLXYFNHWJIVHE-ZDUSSCGKSA-N 0 3 398.485 0.606 20 0 GCADHN Cc1c(NC(=O)C(=O)NCCN(C)C2CC2)cccc1S(=O)(=O)N(C)C ZINC000453646342 1197116672 /nfs/dbraw/zinc/11/66/72/1197116672.db2.gz QCSOUAUCNCASMV-UHFFFAOYSA-N 0 3 382.486 0.394 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000532145619 1197117881 /nfs/dbraw/zinc/11/78/81/1197117881.db2.gz TUQPSSCFSVQSOP-GFCCVEGCSA-N 0 3 385.486 0.635 20 0 GCADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000532170876 1197123240 /nfs/dbraw/zinc/12/32/40/1197123240.db2.gz KQHOHOMRAZTKMN-ZACQAIPSSA-N 0 3 381.521 0.269 20 0 GCADHN COC(=O)COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000532230891 1197128778 /nfs/dbraw/zinc/12/87/78/1197128778.db2.gz WXCBYLABCYQWSP-QGZVFWFLSA-N 0 3 389.452 0.617 20 0 GCADHN CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)c(F)c1 ZINC000453757003 1197131276 /nfs/dbraw/zinc/13/12/76/1197131276.db2.gz QKJGEJZLUDGCPM-NSHDSACASA-N 0 3 388.465 0.982 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000453757705 1197131298 /nfs/dbraw/zinc/13/12/98/1197131298.db2.gz GQSQMCDMOZFNRE-BFYDXBDKSA-N 0 3 391.516 1.355 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000532272680 1197133233 /nfs/dbraw/zinc/13/32/33/1197133233.db2.gz JEVVSQBYLABMFQ-KRWDZBQOSA-N 0 3 383.452 0.643 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCOC[C@H](O)C3)c2)CC1 ZINC000453822688 1197137070 /nfs/dbraw/zinc/13/70/70/1197137070.db2.gz NGZKVJDNAZCLDT-GOSISDBHSA-N 0 3 390.484 0.375 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000453801611 1197137317 /nfs/dbraw/zinc/13/73/17/1197137317.db2.gz ATGQVTCUJQZJOC-LBPRGKRZSA-N 0 3 385.367 0.910 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)ccc1C ZINC000453802380 1197137869 /nfs/dbraw/zinc/13/78/69/1197137869.db2.gz COWZTKBSOXEUEQ-OAHLLOKOSA-N 0 3 377.441 0.683 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)ccc1C ZINC000453802378 1197138110 /nfs/dbraw/zinc/13/81/10/1197138110.db2.gz COWZTKBSOXEUEQ-HNNXBMFYSA-N 0 3 377.441 0.683 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000453805500 1197139231 /nfs/dbraw/zinc/13/92/31/1197139231.db2.gz LPEYAQJDFZYBGR-GOSISDBHSA-N 0 3 385.468 0.833 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1cccnc1OCC(F)F ZINC000453810093 1197140053 /nfs/dbraw/zinc/14/00/53/1197140053.db2.gz WLDOXFDLTDJLEZ-GFCCVEGCSA-N 0 3 386.399 0.627 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cn1 ZINC000532310408 1197140253 /nfs/dbraw/zinc/14/02/53/1197140253.db2.gz MTVZSJMONJVJGE-UHFFFAOYSA-N 0 3 378.477 0.243 20 0 GCADHN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1 ZINC000532347326 1197147069 /nfs/dbraw/zinc/14/70/69/1197147069.db2.gz NXWCAZGPVDIEFO-QGZVFWFLSA-N 0 3 394.541 0.835 20 0 GCADHN CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1 ZINC000532347325 1197147117 /nfs/dbraw/zinc/14/71/17/1197147117.db2.gz NXWCAZGPVDIEFO-KRWDZBQOSA-N 0 3 394.541 0.835 20 0 GCADHN Cc1c(NC(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)nnn1Cc1ccccc1F ZINC000453910349 1197149185 /nfs/dbraw/zinc/14/91/85/1197149185.db2.gz BCMPBZZPFUOCKN-ZBFHGGJFSA-N 0 3 386.431 0.875 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1C ZINC000453912268 1197150145 /nfs/dbraw/zinc/15/01/45/1197150145.db2.gz DEHGCUVYXRBAFS-XJKSGUPXSA-N 0 3 394.497 0.858 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(CN4C(=O)CCCC4=O)cc3)C[C@@H]21 ZINC000453914661 1197153314 /nfs/dbraw/zinc/15/33/14/1197153314.db2.gz JBGKBAJIQUGSQG-WBVHZDCISA-N 0 3 398.463 0.827 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC000986193812 1197154620 /nfs/dbraw/zinc/15/46/20/1197154620.db2.gz NLJHMLFBTPSDAL-LVQVYYBASA-N 0 3 387.484 0.751 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC000986193812 1197154622 /nfs/dbraw/zinc/15/46/22/1197154622.db2.gz NLJHMLFBTPSDAL-LVQVYYBASA-N 0 3 387.484 0.751 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000171427313 1197157905 /nfs/dbraw/zinc/15/79/05/1197157905.db2.gz ZPEASPHXAHUMHT-UHFFFAOYSA-N 0 3 377.493 0.310 20 0 GCADHN CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000666041829 1197160623 /nfs/dbraw/zinc/16/06/23/1197160623.db2.gz AHLGBFHVZVKJIU-KEYYUXOJSA-N 0 3 397.497 0.030 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CN4CCCC4)C[C@H]3C2)O1 ZINC000986325644 1197166646 /nfs/dbraw/zinc/16/66/46/1197166646.db2.gz ZBVUVVOJNITSLS-ZJPYXAASSA-N 0 3 378.517 0.108 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)N1CCC(C)CC1 ZINC000172549802 1197173108 /nfs/dbraw/zinc/17/31/08/1197173108.db2.gz ASJRKLYRRDIXNZ-CYBMUJFWSA-N 0 3 389.435 0.977 20 0 GCADHN C[C@H](CNC(=O)NCCc1nnc2n1CCCCC2)CN1CCN(C)CC1 ZINC000173631100 1197177931 /nfs/dbraw/zinc/17/79/31/1197177931.db2.gz WJKGPDJSCUNTLF-MRXNPFEDSA-N 0 3 377.537 0.730 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCCN(C(=O)c3ccccc3)CC2)CC1=O ZINC000173842225 1197179342 /nfs/dbraw/zinc/17/93/42/1197179342.db2.gz VCJNMWBOQXAHLY-GOSISDBHSA-N 0 3 386.496 0.771 20 0 GCADHN Cc1occc1C(=O)NC1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000174542760 1197181957 /nfs/dbraw/zinc/18/19/57/1197181957.db2.gz JNFRMHPTFVUZRD-OAHLLOKOSA-N 0 3 390.484 0.719 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(N4CCNC4=O)c3)C[C@@H]21 ZINC000453922868 1197182774 /nfs/dbraw/zinc/18/27/74/1197182774.db2.gz VRRHLYLCEYUJEW-ABAIWWIYSA-N 0 3 391.859 0.971 20 0 GCADHN CN1CC[C@H](NC(=O)NC[C@@](C)(O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000179464403 1197198079 /nfs/dbraw/zinc/19/80/79/1197198079.db2.gz AJABIKWWGVTVRG-NLWGTHIKSA-N 0 3 376.501 0.814 20 0 GCADHN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)CC2 ZINC000181608608 1197204995 /nfs/dbraw/zinc/20/49/95/1197204995.db2.gz YWVIQZZARWARMU-HOTGVXAUSA-N 0 3 377.537 0.899 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000475760051 1197209711 /nfs/dbraw/zinc/20/97/11/1197209711.db2.gz RZVWAJYLTZTVBC-ZNMIVQPWSA-N 0 3 389.518 0.225 20 0 GCADHN CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183748602 1197209975 /nfs/dbraw/zinc/20/99/75/1197209975.db2.gz JLZNUFYRTSUALH-INIZCTEOSA-N 0 3 399.495 0.445 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000897396776 1197212860 /nfs/dbraw/zinc/21/28/60/1197212860.db2.gz QUNZUBPLSLNQSY-OKILXGFUSA-N 0 3 385.509 0.704 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c(C)c1 ZINC000453929280 1197214422 /nfs/dbraw/zinc/21/44/22/1197214422.db2.gz MBINIGMGRCDNRN-XJKSGUPXSA-N 0 3 375.425 0.648 20 0 GCADHN CCn1nnnc1-c1cccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000666136374 1197223095 /nfs/dbraw/zinc/22/30/95/1197223095.db2.gz HKNBRYBVOBTSNN-UHFFFAOYSA-N 0 3 388.476 0.844 20 0 GCADHN O=C(NCCCn1cc(CO)nn1)NCC1CCN(Cc2ccncc2)CC1 ZINC000666148779 1197225385 /nfs/dbraw/zinc/22/53/85/1197225385.db2.gz MYXJTMPBHLUJCE-UHFFFAOYSA-N 0 3 387.488 0.767 20 0 GCADHN COc1cc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1N1CCCC1=O ZINC000453932801 1197228125 /nfs/dbraw/zinc/22/81/25/1197228125.db2.gz PDJHBPGOGCGKFW-XJKSGUPXSA-N 0 3 386.452 0.923 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)n(-c2ccc(C)nn2)n1 ZINC000187918923 1197231197 /nfs/dbraw/zinc/23/11/97/1197231197.db2.gz WDHOPXOWJGTCLX-OAHLLOKOSA-N 0 3 383.456 0.914 20 0 GCADHN COc1ccc(CN(C(=O)[C@H](N)CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000653071892 1197232151 /nfs/dbraw/zinc/23/21/51/1197232151.db2.gz WUPRMYUXFZPMOS-DOTOQJQBSA-N 0 3 383.514 0.490 20 0 GCADHN COc1cccc(OC)c1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000475791747 1197233177 /nfs/dbraw/zinc/23/31/77/1197233177.db2.gz AXINDXOFLFUVKQ-UHFFFAOYSA-N 0 3 397.497 0.633 20 0 GCADHN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)C1 ZINC000188757690 1197233783 /nfs/dbraw/zinc/23/37/83/1197233783.db2.gz QUOJYTNDLRKZEW-HUUCEWRRSA-N 0 3 388.516 0.508 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccc(C(N)=O)cc1F ZINC000475792531 1197234037 /nfs/dbraw/zinc/23/40/37/1197234037.db2.gz QEQZBYGKXTZIKQ-HNNXBMFYSA-N 0 3 379.436 0.989 20 0 GCADHN CCN1CCN(Cc2ccccc2CN2C(=O)[C@@H]3CNC(=O)CN3C2=O)CC1 ZINC000348477728 1197234357 /nfs/dbraw/zinc/23/43/57/1197234357.db2.gz MJKPUKJACRKALU-KRWDZBQOSA-N 0 3 385.468 0.087 20 0 GCADHN Cn1cc(S(N)(=O)=O)cc1CC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428542583 1197236254 /nfs/dbraw/zinc/23/62/54/1197236254.db2.gz GGOLGAAJRGIVHR-INIZCTEOSA-N 0 3 392.481 0.420 20 0 GCADHN CCc1nn(C)c(CC)c1CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000189506701 1197237025 /nfs/dbraw/zinc/23/70/25/1197237025.db2.gz FVLRHKWRVCRWSK-SFHVURJKSA-N 0 3 375.517 0.852 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000475814848 1197243073 /nfs/dbraw/zinc/24/30/73/1197243073.db2.gz XLIZBZYKLYHXGO-INIZCTEOSA-N 0 3 378.477 0.736 20 0 GCADHN CC[C@@H](CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)N1CCc2ccccc2C1 ZINC000666236388 1197249324 /nfs/dbraw/zinc/24/93/24/1197249324.db2.gz XOTHATDTFWFXBS-MSOLQXFVSA-N 0 3 394.541 0.855 20 0 GCADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(S(C)(=O)=O)CC1 ZINC000193330085 1197249942 /nfs/dbraw/zinc/24/99/42/1197249942.db2.gz NZBBAFPYEJGMQR-WMZOPIPTSA-N 0 3 394.541 0.343 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)N(C)C ZINC000453955299 1197257331 /nfs/dbraw/zinc/25/73/31/1197257331.db2.gz KJASAELEOWWEDX-ZDUSSCGKSA-N 0 3 398.529 0.909 20 0 GCADHN NS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000666297417 1197257854 /nfs/dbraw/zinc/25/78/54/1197257854.db2.gz LWQWQOFTMCRKMY-IRXDYDNUSA-N 0 3 380.514 0.683 20 0 GCADHN CCOC(=O)c1c(NC(=O)C(=O)NC[C@H](C)N(C)C)cc(OC)cc1OC ZINC000453956887 1197263203 /nfs/dbraw/zinc/26/32/03/1197263203.db2.gz OLSOQWKFDGVFGZ-NSHDSACASA-N 0 3 381.429 0.885 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)CC(=O)NC)c(C)c2)CC1 ZINC000453968830 1197278346 /nfs/dbraw/zinc/27/83/46/1197278346.db2.gz INLQNMLFZZKORX-OAHLLOKOSA-N 0 3 389.500 0.716 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000666459782 1197279585 /nfs/dbraw/zinc/27/95/85/1197279585.db2.gz HWJYOMVHMUHEMF-UHFFFAOYSA-N 0 3 377.424 0.890 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C3CCC3)C2)CC1 ZINC000666500402 1197283606 /nfs/dbraw/zinc/28/36/06/1197283606.db2.gz WBHBQYGGPBBZRI-SJORKVTESA-N 0 3 376.501 0.400 20 0 GCADHN CN1CCN(CCCNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000104211067 1197291796 /nfs/dbraw/zinc/29/17/96/1197291796.db2.gz VWZZRRSXGQOBDH-UHFFFAOYSA-N 0 3 385.468 0.825 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2c(C3CC3)cnn2C)CC1 ZINC000666582638 1197291868 /nfs/dbraw/zinc/29/18/68/1197291868.db2.gz MNDWLQMSQXLDIG-UHFFFAOYSA-N 0 3 376.505 0.993 20 0 GCADHN Cc1cc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c2c(=O)[nH]n(C)c2n1 ZINC000104370763 1197296570 /nfs/dbraw/zinc/29/65/70/1197296570.db2.gz FHRBUSOPNFNQML-CQSZACIVSA-N 0 3 388.472 0.243 20 0 GCADHN C[C@H](C(=O)N1CCCN([C@@H](C)CO)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000470070410 1197298174 /nfs/dbraw/zinc/29/81/74/1197298174.db2.gz GJYLXOMOVHKYMB-HOTGVXAUSA-N 0 3 397.541 0.956 20 0 GCADHN C[C@@H](NCCNC(=O)c1cnccn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000532494153 1197319209 /nfs/dbraw/zinc/31/92/09/1197319209.db2.gz SKVSQQSTRLZIBO-CYBMUJFWSA-N 0 3 377.470 0.808 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000454081141 1197320660 /nfs/dbraw/zinc/32/06/60/1197320660.db2.gz BXYFWVIYMDSUIU-CQSZACIVSA-N 0 3 396.513 0.817 20 0 GCADHN CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000532531242 1197321201 /nfs/dbraw/zinc/32/12/01/1197321201.db2.gz NEEVWVGSMFCPNU-GDBMZVCRSA-N 0 3 398.467 0.519 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000532514786 1197321776 /nfs/dbraw/zinc/32/17/76/1197321776.db2.gz RKVKLRZFOZYTDW-AEFFLSMTSA-N 0 3 390.528 0.933 20 0 GCADHN COc1cccc(COCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000532515851 1197322284 /nfs/dbraw/zinc/32/22/84/1197322284.db2.gz WXRKELHNJWUIGM-SFHVURJKSA-N 0 3 375.469 0.977 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c(C)c1 ZINC000454093317 1197323456 /nfs/dbraw/zinc/32/34/56/1197323456.db2.gz JUJKOCKQBIGQJD-OAHLLOKOSA-N 0 3 390.484 0.999 20 0 GCADHN CCN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC000104192492 1197325838 /nfs/dbraw/zinc/32/58/38/1197325838.db2.gz DYFITXJSSGPHBV-INIZCTEOSA-N 0 3 397.545 0.981 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)CC1 ZINC000103448829 1197326056 /nfs/dbraw/zinc/32/60/56/1197326056.db2.gz KFXFBKLTFKNYLE-IBGZPJMESA-N 0 3 386.496 0.977 20 0 GCADHN CC[C@H](NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)C(=O)NC ZINC000454113223 1197328509 /nfs/dbraw/zinc/32/85/09/1197328509.db2.gz VPTSJDLXAABPCT-INIZCTEOSA-N 0 3 392.525 0.857 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000897449968 1197333242 /nfs/dbraw/zinc/33/32/42/1197333242.db2.gz CKOUNRQCRSTDLU-QGZVFWFLSA-N 0 3 381.517 0.927 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000897451982 1197333851 /nfs/dbraw/zinc/33/38/51/1197333851.db2.gz QYSFJXOHUZGMAO-IAGOWNOFSA-N 0 3 381.517 0.927 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000454160270 1197337154 /nfs/dbraw/zinc/33/71/54/1197337154.db2.gz DCUKIAVNLSBZAO-OAHLLOKOSA-N 0 3 384.502 0.905 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000118096549 1197338883 /nfs/dbraw/zinc/33/88/83/1197338883.db2.gz QNOZFHZZUFMNGW-CYBMUJFWSA-N 0 3 375.408 0.649 20 0 GCADHN C[C@H]1CCCCN1CCNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000332938314 1197347598 /nfs/dbraw/zinc/34/75/98/1197347598.db2.gz ILROVQYDIZUDNZ-KSSFIOAISA-N 0 3 380.489 0.593 20 0 GCADHN CCc1nnc(N2CCO[C@H](COC)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001709163226 1197352651 /nfs/dbraw/zinc/35/26/51/1197352651.db2.gz VIYLEDVTKMEMMO-SJORKVTESA-N 0 3 380.537 0.718 20 0 GCADHN COc1ccc2c(c1)C[C@@H](NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C2 ZINC001168258760 1197355570 /nfs/dbraw/zinc/35/55/70/1197355570.db2.gz FZFKSCGJZDROEK-LPHOPBHVSA-N 0 3 383.448 0.670 20 0 GCADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N(C)CC(=O)N1CCOCC1 ZINC000126964898 1197359412 /nfs/dbraw/zinc/35/94/12/1197359412.db2.gz CQFAUXXHDITEPO-HKUYNNGSSA-N 0 3 388.512 0.556 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N(C)CC(=O)N1CCOCC1 ZINC000126964455 1197359457 /nfs/dbraw/zinc/35/94/57/1197359457.db2.gz CQFAUXXHDITEPO-PKOBYXMFSA-N 0 3 388.512 0.556 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000532655643 1197361663 /nfs/dbraw/zinc/36/16/63/1197361663.db2.gz COSZYPPVFYQDRK-JLTOFOAXSA-N 0 3 387.484 0.497 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000532655644 1197361705 /nfs/dbraw/zinc/36/17/05/1197361705.db2.gz COSZYPPVFYQDRK-VBKZILBWSA-N 0 3 387.484 0.497 20 0 GCADHN CCCNC(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC[C@H](C)C1 ZINC001719918668 1197367173 /nfs/dbraw/zinc/36/71/73/1197367173.db2.gz SLDGPFPUOUZJLX-HZMVEIRTSA-N 0 3 378.517 0.883 20 0 GCADHN CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCCN(C)C1=O ZINC001719920040 1197367529 /nfs/dbraw/zinc/36/75/29/1197367529.db2.gz YSFBXMZHGCRBMU-VQHPVUNQSA-N 0 3 378.517 0.835 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cn2cnc(-c3ccccc3)n2)CC1 ZINC000130905742 1197374909 /nfs/dbraw/zinc/37/49/09/1197374909.db2.gz QAAHBCRUIPGEMF-QGZVFWFLSA-N 0 3 382.468 0.886 20 0 GCADHN O=C(CO)N1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000536604159 1197375350 /nfs/dbraw/zinc/37/53/50/1197375350.db2.gz ZIGFRALVNRLBLY-UHFFFAOYSA-N 0 3 392.525 0.946 20 0 GCADHN CN(CCCNC(=O)CN1CCC[C@@H](Cc2nccn2C)C1)S(C)(=O)=O ZINC000131266352 1197376038 /nfs/dbraw/zinc/37/60/38/1197376038.db2.gz ALUMXIQBFPMIHZ-HNNXBMFYSA-N 0 3 385.534 0.072 20 0 GCADHN Cc1c(C(=O)NCCN2CCOCC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000359900645 1197379201 /nfs/dbraw/zinc/37/92/01/1197379201.db2.gz BGVRZWIJJMIKST-UHFFFAOYSA-N 0 3 384.484 0.626 20 0 GCADHN Cn1c2ccccc2n(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1=O ZINC000359963163 1197379844 /nfs/dbraw/zinc/37/98/44/1197379844.db2.gz XYAJCBQWZBQELY-KRWDZBQOSA-N 0 3 385.468 0.281 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCN3C)CC2)cn1C ZINC000051383505 1197382606 /nfs/dbraw/zinc/38/26/06/1197382606.db2.gz BLVUIROZAOIQOC-OAHLLOKOSA-N 0 3 383.518 0.340 20 0 GCADHN CC[C@@H](C)N(C)CC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000532687920 1197384695 /nfs/dbraw/zinc/38/46/95/1197384695.db2.gz VABXMWJEBZHOJG-CYBMUJFWSA-N 0 3 383.493 0.897 20 0 GCADHN CC(=O)c1ccc(Br)c(-c2noc([C@H](CO)NC(=O)CN)n2)c1 ZINC001211955995 1197386344 /nfs/dbraw/zinc/38/63/44/1197386344.db2.gz FESHAWJUIHCECG-NSHDSACASA-N 0 3 383.202 0.810 20 0 GCADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](CO)CN(C)C)cc2)C1 ZINC000614858562 1197390710 /nfs/dbraw/zinc/39/07/10/1197390710.db2.gz JEZGHFHBNQWGIJ-GDBMZVCRSA-N 0 3 383.514 0.760 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000137090511 1197391196 /nfs/dbraw/zinc/39/11/96/1197391196.db2.gz KMNFBVYEFALKDV-CQSZACIVSA-N 0 3 375.477 0.062 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000532714919 1197395612 /nfs/dbraw/zinc/39/56/12/1197395612.db2.gz XQRQTKUKOJHTJY-LBPRGKRZSA-N 0 3 382.486 0.615 20 0 GCADHN O=C(NCCN1CCCS1(=O)=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000061039167 1197396031 /nfs/dbraw/zinc/39/60/31/1197396031.db2.gz KYENVOMEEOGXHE-KRWDZBQOSA-N 0 3 380.514 0.986 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000194722197 1197399619 /nfs/dbraw/zinc/39/96/19/1197399619.db2.gz ZAMIOCYLANDWCI-OAHLLOKOSA-N 0 3 384.502 0.903 20 0 GCADHN CCNC(=O)CNC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000195004723 1197400271 /nfs/dbraw/zinc/40/02/71/1197400271.db2.gz NZWAUMDBAHGYEN-QGZVFWFLSA-N 0 3 388.516 0.761 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2cc(C3CC3)no2)CC1 ZINC000897495155 1197402499 /nfs/dbraw/zinc/40/24/99/1197402499.db2.gz WROAXBYHIONTTP-CQSZACIVSA-N 0 3 377.489 0.558 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](c3nccs3)C2)CC1 ZINC000897494593 1197402815 /nfs/dbraw/zinc/40/28/15/1197402815.db2.gz PTYAEXWTGZKSNJ-CVEARBPZSA-N 0 3 393.557 0.849 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CCC3(COC3)CC2)CC1 ZINC000897495095 1197402982 /nfs/dbraw/zinc/40/29/82/1197402982.db2.gz VAZMNTNPCZUGFV-INIZCTEOSA-N 0 3 380.533 0.452 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC[C@@H]2CC(C)(C)CO2)CC1 ZINC000897494611 1197403140 /nfs/dbraw/zinc/40/31/40/1197403140.db2.gz QFIQKJLFXHUQGY-IAGOWNOFSA-N 0 3 382.549 0.698 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCc2cc(F)c(F)cc2C1)CN1CCN(C)CC1 ZINC000897494909 1197403184 /nfs/dbraw/zinc/40/31/84/1197403184.db2.gz UAEMHVCPDBMMDQ-CQSZACIVSA-N 0 3 394.466 0.849 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC[C@H]2CC(C)(C)CO2)CC1 ZINC000897494612 1197403207 /nfs/dbraw/zinc/40/32/07/1197403207.db2.gz QFIQKJLFXHUQGY-IRXDYDNUSA-N 0 3 382.549 0.698 20 0 GCADHN COCCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000418921718 1197404067 /nfs/dbraw/zinc/40/40/67/1197404067.db2.gz JRCSYRGRIWHMAL-ZFWWWQNUSA-N 0 3 379.457 0.557 20 0 GCADHN CS[C@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C(C)(C)C ZINC000419118844 1197411006 /nfs/dbraw/zinc/41/10/06/1197411006.db2.gz JDTPUKPUGGQXEP-UONOGXRCSA-N 0 3 382.534 0.794 20 0 GCADHN CS[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C(C)(C)C ZINC000419118845 1197411165 /nfs/dbraw/zinc/41/11/65/1197411165.db2.gz JDTPUKPUGGQXEP-ZIAGYGMSSA-N 0 3 382.534 0.794 20 0 GCADHN C[C@@]1(n2cc(CN[C@H]3CCCN(c4cccnn4)C3)cn2)CCS(=O)(=O)C1 ZINC000532866269 1197417549 /nfs/dbraw/zinc/41/75/49/1197417549.db2.gz GSBDXSSCDCPLES-FUHWJXTLSA-N 0 3 390.513 0.965 20 0 GCADHN O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000532882802 1197417774 /nfs/dbraw/zinc/41/77/74/1197417774.db2.gz FLOLGBHWDPVROF-HUUCEWRRSA-N 0 3 384.488 0.877 20 0 GCADHN O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)N[C@H]1CCN(C2CC2)C1 ZINC000532882801 1197417798 /nfs/dbraw/zinc/41/77/98/1197417798.db2.gz FLOLGBHWDPVROF-GJZGRUSLSA-N 0 3 384.488 0.877 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000532871785 1197418335 /nfs/dbraw/zinc/41/83/35/1197418335.db2.gz XQLKRZYJRNZNSY-UHFFFAOYSA-N 0 3 398.467 0.175 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000454639492 1197423924 /nfs/dbraw/zinc/42/39/24/1197423924.db2.gz CDRREYHLDRQRAC-PMPSAXMXSA-N 0 3 379.505 0.382 20 0 GCADHN CC(C)CCn1nccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000533003247 1197425753 /nfs/dbraw/zinc/42/57/53/1197425753.db2.gz MAVPCVCINJJOTL-MRXNPFEDSA-N 0 3 378.521 0.867 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1NC(=O)NC[C@H]1CCCCN1CCO ZINC000454750304 1197430300 /nfs/dbraw/zinc/43/03/00/1197430300.db2.gz NWXKNLCLYHJNHT-CQSZACIVSA-N 0 3 384.502 0.905 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNC2(CO)CCOCC2)c1 ZINC000533284682 1197442812 /nfs/dbraw/zinc/44/28/12/1197442812.db2.gz VAQHBVMWCLJFAG-UHFFFAOYSA-N 0 3 399.513 0.787 20 0 GCADHN CN1CCO[C@@H](C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000246038204 1197443587 /nfs/dbraw/zinc/44/35/87/1197443587.db2.gz BBLGYWZRVACYJM-RBUKOAKNSA-N 0 3 387.528 0.773 20 0 GCADHN CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000897512889 1197445525 /nfs/dbraw/zinc/44/55/25/1197445525.db2.gz CJWOEQFVTQXVKJ-OKZBNKHCSA-N 0 3 377.485 0.538 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000246238550 1197457570 /nfs/dbraw/zinc/45/75/70/1197457570.db2.gz XHDWBPJVYZPRAM-KBAYOESNSA-N 0 3 376.501 0.894 20 0 GCADHN Cc1c(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cccc1S(N)(=O)=O ZINC000533594009 1197461322 /nfs/dbraw/zinc/46/13/22/1197461322.db2.gz UEDAZYROIMHPFI-INIZCTEOSA-N 0 3 394.541 0.883 20 0 GCADHN COc1cc(OC)cc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c1 ZINC001211998195 1197465434 /nfs/dbraw/zinc/46/54/34/1197465434.db2.gz HISNRWZDTMQIHN-TVQRCGJNSA-N 0 3 377.401 0.004 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cc(Cl)c(F)cc2F)no1)C(N)=O ZINC001211998325 1197465880 /nfs/dbraw/zinc/46/58/80/1197465880.db2.gz NSTZUEJHTJEJNK-UPONEAKYSA-N 0 3 387.774 0.918 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccncc2Br)no1)C(N)=O ZINC001211998310 1197465905 /nfs/dbraw/zinc/46/59/05/1197465905.db2.gz NJOKIHATPVGGQE-OIBJUYFYSA-N 0 3 397.233 0.144 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cncc(Br)c2)no1)C(N)=O ZINC001211998312 1197465949 /nfs/dbraw/zinc/46/59/49/1197465949.db2.gz NLJZSCXTVROKNC-OIBJUYFYSA-N 0 3 397.233 0.144 20 0 GCADHN CCN1CCN(C(=O)CC2CCN([C@@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000066568160 1197467595 /nfs/dbraw/zinc/46/75/95/1197467595.db2.gz FQFAXXSGQWAUHQ-KRWDZBQOSA-N 0 3 382.549 0.794 20 0 GCADHN Cc1ccc(-c2noc([C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)n2)nc1 ZINC001212000684 1197470039 /nfs/dbraw/zinc/47/00/39/1197470039.db2.gz SCHGTFNKMPFFFS-HOCLYGCPSA-N 0 3 383.408 0.865 20 0 GCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000246820714 1197473870 /nfs/dbraw/zinc/47/38/70/1197473870.db2.gz SNSHXWMBDWAVJG-STQMWFEESA-N 0 3 389.435 0.977 20 0 GCADHN CCOc1cc(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)ccc1OC ZINC001212022779 1197475074 /nfs/dbraw/zinc/47/50/74/1197475074.db2.gz FIMVKRLFPFCPEE-ONGXEEELSA-N 0 3 377.401 0.524 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000247234820 1197475572 /nfs/dbraw/zinc/47/55/72/1197475572.db2.gz XEWMKYGOTNGJSP-RBUKOAKNSA-N 0 3 398.507 0.800 20 0 GCADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)c1nc(-c2cncc(Br)c2)no1 ZINC001212023134 1197475715 /nfs/dbraw/zinc/47/57/15/1197475715.db2.gz RIPHZLDDZLOKOD-RCOVLWMOSA-N 0 3 383.206 0.274 20 0 GCADHN CSC1(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)CCN(C)CC1 ZINC001212042732 1197477681 /nfs/dbraw/zinc/47/76/81/1197477681.db2.gz SSQJVBMXSYMAQW-UHFFFAOYSA-N 0 3 386.605 0.947 20 0 GCADHN C[C@@H]1CN(C[C@H]2CCCN2CC(=O)NCC(C)(C)N2CCOCC2)C[C@H](C)O1 ZINC000249802029 1197482910 /nfs/dbraw/zinc/48/29/10/1197482910.db2.gz DCKRMCSIKJNRDJ-CEXWTWQISA-N 0 3 396.576 0.787 20 0 GCADHN Cc1ccc(CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001482753757 1197487967 /nfs/dbraw/zinc/48/79/67/1197487967.db2.gz XMOZQKOZGWQZBF-UQZKUAJDSA-N 0 3 387.480 0.101 20 0 GCADHN CN(CCCN(C)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)Cc1ccncc1 ZINC000614928219 1197488501 /nfs/dbraw/zinc/48/85/01/1197488501.db2.gz LHAHMMOPIFMLQU-INIZCTEOSA-N 0 3 383.518 0.277 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000475983575 1197490553 /nfs/dbraw/zinc/49/05/53/1197490553.db2.gz MXBWKWTXQRHSTF-UHFFFAOYSA-N 0 3 390.550 0.599 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000897528790 1197491973 /nfs/dbraw/zinc/49/19/73/1197491973.db2.gz CDQRYEBFORQHCQ-QGZVFWFLSA-N 0 3 397.516 0.305 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)CC1 ZINC000897529174 1197492580 /nfs/dbraw/zinc/49/25/80/1197492580.db2.gz HDMWHLZBDHPJPD-URLQWDBASA-N 0 3 383.489 0.056 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)CC1 ZINC000897529128 1197492599 /nfs/dbraw/zinc/49/25/99/1197492599.db2.gz GENQZARVGTVJKF-TXDAXLQXSA-N 0 3 397.516 0.302 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000988756696 1197505676 /nfs/dbraw/zinc/50/56/76/1197505676.db2.gz ZSZJMYGGZIMNIG-NJBDSQKTSA-N 0 3 385.415 0.786 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000261726395 1197512348 /nfs/dbraw/zinc/51/23/48/1197512348.db2.gz IXGJSGRYTKHSLH-HNNXBMFYSA-N 0 3 387.440 0.290 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000261743855 1197513028 /nfs/dbraw/zinc/51/30/28/1197513028.db2.gz KYMQXCULVOPWEM-KRWDZBQOSA-N 0 3 388.541 0.772 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000261766028 1197513980 /nfs/dbraw/zinc/51/39/80/1197513980.db2.gz NLMXFPWOWHGYLQ-IBGZPJMESA-N 0 3 398.511 0.837 20 0 GCADHN C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000162194114 1197514683 /nfs/dbraw/zinc/51/46/83/1197514683.db2.gz SGUADYLFEBXCKJ-CEXWTWQISA-N 0 3 394.560 0.936 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000261845749 1197516197 /nfs/dbraw/zinc/51/61/97/1197516197.db2.gz XGPOTJRZJNYFCE-OAHLLOKOSA-N 0 3 385.407 0.120 20 0 GCADHN CCN(C(=O)CN1CCNC[C@H]1c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000261874722 1197516915 /nfs/dbraw/zinc/51/69/15/1197516915.db2.gz XVEMKMVSJGFAAI-SJORKVTESA-N 0 3 383.489 0.808 20 0 GCADHN CCN(C(=O)CN1CCNC[C@@H]1c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000261874711 1197517120 /nfs/dbraw/zinc/51/71/20/1197517120.db2.gz XVEMKMVSJGFAAI-DLBZAZTESA-N 0 3 383.489 0.808 20 0 GCADHN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262012884 1197521998 /nfs/dbraw/zinc/52/19/98/1197521998.db2.gz FQDGYYCSCYKRKS-KRWDZBQOSA-N 0 3 398.529 0.230 20 0 GCADHN C[C@H]1CCC[C@H](NC(=O)CN2CCN(CCC(=O)N3CCNCC3)CC2)C1 ZINC000262031277 1197523326 /nfs/dbraw/zinc/52/33/26/1197523326.db2.gz GYKIRRRWTDCLKU-ROUUACIJSA-N 0 3 379.549 0.121 20 0 GCADHN COCC[NH2+]CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000262074392 1197524074 /nfs/dbraw/zinc/52/40/74/1197524074.db2.gz CYXJWLNNTNFYTL-UHFFFAOYSA-N 0 3 384.433 0.920 20 0 GCADHN Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262078006 1197524492 /nfs/dbraw/zinc/52/44/92/1197524492.db2.gz KLIHSIZCWGZNLI-UHFFFAOYSA-N 0 3 387.528 0.681 20 0 GCADHN COc1ccccc1[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)c1noc(C)n1 ZINC000262166065 1197526535 /nfs/dbraw/zinc/52/65/35/1197526535.db2.gz QDJUFKULTPPGFR-HOTGVXAUSA-N 0 3 375.429 0.692 20 0 GCADHN CCO[C@@H](C)c1noc(CN2CCN(CCC(=O)N3CCNCC3)CC2)n1 ZINC000262235282 1197527298 /nfs/dbraw/zinc/52/72/98/1197527298.db2.gz VTFQNLURYSVHCX-HNNXBMFYSA-N 0 3 380.493 0.107 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000262230865 1197527383 /nfs/dbraw/zinc/52/73/83/1197527383.db2.gz VKMYKYPDNWWFSF-SFHVURJKSA-N 0 3 394.903 0.653 20 0 GCADHN CCN(CCC(=O)N1CCNCC1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000262244499 1197527521 /nfs/dbraw/zinc/52/75/21/1197527521.db2.gz WJNIAVVLARQXQY-UHFFFAOYSA-N 0 3 376.457 0.540 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000262274107 1197527932 /nfs/dbraw/zinc/52/79/32/1197527932.db2.gz YQOJNNBHISTEOO-KRWDZBQOSA-N 0 3 381.521 0.709 20 0 GCADHN Cc1ccc(-c2noc(CN3CCN(CCC(=O)N4CCNCC4)CC3)n2)cc1 ZINC000262276716 1197528098 /nfs/dbraw/zinc/52/80/98/1197528098.db2.gz YXOFUPKZLYSSGW-UHFFFAOYSA-N 0 3 398.511 0.985 20 0 GCADHN C[C@@H](NCCNS(=O)(=O)Cc1ccon1)c1ccc(-n2cnnn2)cc1 ZINC000162418108 1197533903 /nfs/dbraw/zinc/53/39/03/1197533903.db2.gz KEJBHZQZHDOCIX-GFCCVEGCSA-N 0 3 377.430 0.421 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2ccc3cncn3c2)CCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000988948295 1197539313 /nfs/dbraw/zinc/53/93/13/1197539313.db2.gz BCDXGGKCQCEJEY-KJWYOANISA-N 0 3 385.468 0.773 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000428585515 1197548348 /nfs/dbraw/zinc/54/83/48/1197548348.db2.gz ZCNMCCNQOQLLFQ-KRWDZBQOSA-N 0 3 397.545 0.783 20 0 GCADHN C[C@@H](NC(=O)CNC(=O)c1cccc(O)c1)C(=O)NCCN1CCCCC1 ZINC000508703283 1197553786 /nfs/dbraw/zinc/55/37/86/1197553786.db2.gz IMKKYVJTYFUODD-CQSZACIVSA-N 0 3 376.457 0.229 20 0 GCADHN C[C@@H](NC(=O)[C@H](C)n1nnnc1C(C)(C)C)C(=O)NCCN1CCCCC1 ZINC000508704216 1197554372 /nfs/dbraw/zinc/55/43/72/1197554372.db2.gz QKBJKXWFYKRHMC-KGLIPLIRSA-N 0 3 379.509 0.638 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000455662832 1197565562 /nfs/dbraw/zinc/56/55/62/1197565562.db2.gz WCCFPPPHGPZSDY-HOTGVXAUSA-N 0 3 392.483 0.912 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000428700393 1197575929 /nfs/dbraw/zinc/57/59/29/1197575929.db2.gz ODNDQUFSHXKVHZ-KRWDZBQOSA-N 0 3 397.545 0.955 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(CCC(N)=O)c1ccccc1OC ZINC000429767890 1197576536 /nfs/dbraw/zinc/57/65/36/1197576536.db2.gz PEVKQGCCLPSQQR-KGLIPLIRSA-N 0 3 376.457 0.408 20 0 GCADHN COCCN1CC[C@@H](NC(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)C1 ZINC000455832974 1197579347 /nfs/dbraw/zinc/57/93/47/1197579347.db2.gz XMXQXUAQXWKPTG-CYBMUJFWSA-N 0 3 386.474 0.909 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccsc1 ZINC000671991598 1198956550 /nfs/dbraw/zinc/95/65/50/1198956550.db2.gz OUAPSDGIYMUKJR-CQSZACIVSA-N 0 3 378.498 0.692 20 0 GCADHN CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ncccn3n1)C2)C1CC1 ZINC000999634069 1198959574 /nfs/dbraw/zinc/95/95/74/1198959574.db2.gz KRKJSRZSODDQLX-OAOQPFQOSA-N 0 3 382.468 0.931 20 0 GCADHN Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000106954421 1198967534 /nfs/dbraw/zinc/96/75/34/1198967534.db2.gz CIHXRTIFPMWITC-UHFFFAOYSA-N 0 3 384.484 0.873 20 0 GCADHN O=C(CN[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCCCC1 ZINC000999780592 1198970535 /nfs/dbraw/zinc/97/05/35/1198970535.db2.gz WFNCXQWSZXNFCB-LSTDLKDCSA-N 0 3 379.501 0.631 20 0 GCADHN CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C2)N1CCCCC1 ZINC000999845134 1198979837 /nfs/dbraw/zinc/97/98/37/1198979837.db2.gz UQNAUCULHBLFFA-QPSCCSFWSA-N 0 3 377.489 0.180 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000265717766 1198986100 /nfs/dbraw/zinc/98/61/00/1198986100.db2.gz FQJJDMHXTAJAEG-WOJBJXKFSA-N 0 3 390.528 0.950 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000265720735 1199001669 /nfs/dbraw/zinc/00/16/69/1199001669.db2.gz YZEQTVCGJJNXLN-MRXNPFEDSA-N 0 3 396.513 0.665 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCCN(C)S(=O)(=O)CC)CC1 ZINC000465674512 1199018138 /nfs/dbraw/zinc/01/81/38/1199018138.db2.gz DGSCLWNHDPDCSO-MRXNPFEDSA-N 0 3 391.582 0.231 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1F ZINC000108619058 1199061098 /nfs/dbraw/zinc/06/10/98/1199061098.db2.gz OOUCBSWDAWJYCO-CQSZACIVSA-N 0 3 387.419 0.649 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2C(=O)OC)CC1 ZINC000542835723 1199070449 /nfs/dbraw/zinc/07/04/49/1199070449.db2.gz QIORWDOQKUZZJN-UHFFFAOYSA-N 0 3 381.404 0.778 20 0 GCADHN C[C@H](NC(=O)NCC1(O)CCS(=O)(=O)CC1)[C@H](c1ccccc1)N(C)C ZINC000508899669 1199072425 /nfs/dbraw/zinc/07/24/25/1199072425.db2.gz VJHCJJBAXBFRAZ-GOEBONIOSA-N 0 3 383.514 0.917 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671374409 1199082352 /nfs/dbraw/zinc/08/23/52/1199082352.db2.gz DMDXOTYNYZSMOS-KRWDZBQOSA-N 0 3 394.516 0.121 20 0 GCADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N[C@@H]2CCN(CCOC)C2)c1 ZINC000265733243 1199085583 /nfs/dbraw/zinc/08/55/83/1199085583.db2.gz KYQLYRDYYTUKMI-DZGCQCFKSA-N 0 3 384.502 0.676 20 0 GCADHN CC(C)[C@@H](CNC(=O)NC1CCN(CC(=O)N(C)C)CC1)N1CCN(C)CC1 ZINC000109393212 1199096557 /nfs/dbraw/zinc/09/65/57/1199096557.db2.gz JABWTGAOPOUYCZ-GOSISDBHSA-N 0 3 396.580 0.110 20 0 GCADHN Cc1nnc(NC(=O)CNCC[C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1 ZINC001272921730 1199104458 /nfs/dbraw/zinc/10/44/58/1199104458.db2.gz VDEGIHIOFMAIDW-FIWWZFGMSA-N 0 3 379.486 0.693 20 0 GCADHN NC(=O)c1cn(C2CCN(C(=O)NC[C@H]3CCN3C3CCCC3)CC2)nn1 ZINC000624784727 1199107594 /nfs/dbraw/zinc/10/75/94/1199107594.db2.gz HBGBYYJSDLGBDM-OAHLLOKOSA-N 0 3 375.477 0.740 20 0 GCADHN CCO[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000672110756 1199108658 /nfs/dbraw/zinc/10/86/58/1199108658.db2.gz AZFNFAZAFIWZKE-CVEARBPZSA-N 0 3 382.505 0.073 20 0 GCADHN Cn1nc(C2CCOCC2)cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000627303279 1199119411 /nfs/dbraw/zinc/11/94/11/1199119411.db2.gz MQNSTYRJJRQSEF-HNNXBMFYSA-N 0 3 375.473 0.949 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CN2c3ccccc3CCC2=O)CC1 ZINC000110684271 1199136773 /nfs/dbraw/zinc/13/67/73/1199136773.db2.gz RUFHOPPURFXYMG-SFHVURJKSA-N 0 3 384.480 0.907 20 0 GCADHN Cc1ccccc1OCCN[C@@H](CO)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001486020102 1199147200 /nfs/dbraw/zinc/14/72/00/1199147200.db2.gz SNOCXFWXMHLHAL-MJQMVNBJSA-N 0 3 378.469 0.492 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@@H](N(C)Cc3ccccc3)C1)CC2 ZINC000672169028 1199151720 /nfs/dbraw/zinc/15/17/20/1199151720.db2.gz HGGVUZKCCQOCOW-QZTJIDSGSA-N 0 3 396.495 0.750 20 0 GCADHN CCNC(=O)CN1CCN(c2nnc(C3CC3)n2CCN2CC=CCC2)CC1 ZINC001746513094 1199155876 /nfs/dbraw/zinc/15/58/76/1199155876.db2.gz LRMZHNFTGYJBEV-UHFFFAOYSA-N 0 3 387.532 0.676 20 0 GCADHN COC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000265773420 1199160367 /nfs/dbraw/zinc/16/03/67/1199160367.db2.gz FVADSYMPAPPDIS-CYBMUJFWSA-N 0 3 390.440 0.590 20 0 GCADHN CN1CCN(CCOc2ccc(NC(=O)CN3CCN(C)CC3)cc2)CC1 ZINC000075292388 1199162101 /nfs/dbraw/zinc/16/21/01/1199162101.db2.gz VSWMBZSTXNQLQU-UHFFFAOYSA-N 0 3 375.517 0.499 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000672253281 1199175829 /nfs/dbraw/zinc/17/58/29/1199175829.db2.gz JYBSKWIBJOSUPA-UHFFFAOYSA-N 0 3 380.497 0.726 20 0 GCADHN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000465937265 1199196508 /nfs/dbraw/zinc/19/65/08/1199196508.db2.gz RNFSPDBNJLPBSI-MRXNPFEDSA-N 0 3 394.564 0.657 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000672304277 1199196582 /nfs/dbraw/zinc/19/65/82/1199196582.db2.gz QLUNIOPAGAJJCG-ROUUACIJSA-N 0 3 399.495 0.289 20 0 GCADHN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672305337 1199196859 /nfs/dbraw/zinc/19/68/59/1199196859.db2.gz LFAMRGPJBVISCU-IRXDYDNUSA-N 0 3 392.544 0.988 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000672305220 1199197205 /nfs/dbraw/zinc/19/72/05/1199197205.db2.gz GPYGCFMTZDSRFL-GJZGRUSLSA-N 0 3 375.448 0.516 20 0 GCADHN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672303946 1199197613 /nfs/dbraw/zinc/19/76/13/1199197613.db2.gz CCNGHRXVWLISQO-LBPRGKRZSA-N 0 3 389.481 0.956 20 0 GCADHN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672306375 1199200210 /nfs/dbraw/zinc/20/02/10/1199200210.db2.gz FBXGWFVZRJIAMW-MRXNPFEDSA-N 0 3 393.509 0.649 20 0 GCADHN C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672307197 1199200652 /nfs/dbraw/zinc/20/06/52/1199200652.db2.gz PJPXAVIWZJTPNA-APWZRJJASA-N 0 3 385.512 0.887 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000672311153 1199201978 /nfs/dbraw/zinc/20/19/78/1199201978.db2.gz YESQLDLIGMKKSC-OLZOCXBDSA-N 0 3 390.406 0.256 20 0 GCADHN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672312077 1199202322 /nfs/dbraw/zinc/20/23/22/1199202322.db2.gz ZEIQFALUKLPZDY-GOEBONIOSA-N 0 3 388.443 0.648 20 0 GCADHN Cc1csc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672311260 1199202720 /nfs/dbraw/zinc/20/27/20/1199202720.db2.gz BEQXLHVOWIQCQO-OAHLLOKOSA-N 0 3 377.514 0.701 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672311298 1199203370 /nfs/dbraw/zinc/20/33/70/1199203370.db2.gz CMSCZUFLGAMYCQ-AWEZNQCLSA-N 0 3 392.529 0.350 20 0 GCADHN CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC12CCCCC2 ZINC000672312485 1199204271 /nfs/dbraw/zinc/20/42/71/1199204271.db2.gz SWUFAHIELWKCSL-SFHVURJKSA-N 0 3 390.528 0.981 20 0 GCADHN CCN(CC)S(=O)(=O)CCNC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000465948702 1199216991 /nfs/dbraw/zinc/21/69/91/1199216991.db2.gz DFXFKMQYSNXYCP-MRXNPFEDSA-N 0 3 391.582 0.231 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)C1 ZINC000672367231 1199220230 /nfs/dbraw/zinc/22/02/30/1199220230.db2.gz DLJFTRODCPNPNY-MOPGFXCFSA-N 0 3 389.496 0.889 20 0 GCADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CC2 ZINC000672393439 1199226059 /nfs/dbraw/zinc/22/60/59/1199226059.db2.gz CIPLFCRTGPUTOZ-RTBURBONSA-N 0 3 398.507 0.864 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459851 1199237185 /nfs/dbraw/zinc/23/71/85/1199237185.db2.gz WEKKHARZBBUEHX-LSDHHAIUSA-N 0 3 387.484 0.081 20 0 GCADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000672455771 1199238763 /nfs/dbraw/zinc/23/87/63/1199238763.db2.gz PEWZTOQRHFPHKV-CVEARBPZSA-N 0 3 399.495 0.177 20 0 GCADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000672455772 1199238911 /nfs/dbraw/zinc/23/89/11/1199238911.db2.gz PEWZTOQRHFPHKV-HOTGVXAUSA-N 0 3 399.495 0.177 20 0 GCADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001002731186 1199247172 /nfs/dbraw/zinc/24/71/72/1199247172.db2.gz VAOGSKZVUOVOQO-VQHPVUNQSA-N 0 3 376.501 0.589 20 0 GCADHN C[C@@]1(CNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CCOC1 ZINC000672592246 1199276353 /nfs/dbraw/zinc/27/63/53/1199276353.db2.gz CXGRQYVCPQUGNB-NRFANRHFSA-N 0 3 389.496 0.802 20 0 GCADHN CC(C)N1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCC2)C3)C1 ZINC001002825211 1199281962 /nfs/dbraw/zinc/28/19/62/1199281962.db2.gz UFQSLVUZXWKAAA-ZJPYXAASSA-N 0 3 378.517 0.440 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000672625791 1199283933 /nfs/dbraw/zinc/28/39/33/1199283933.db2.gz XFKPZBNBGKOACX-VXGBXAGGSA-N 0 3 378.395 0.256 20 0 GCADHN C[C@H](CN1CCOCC1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001002830763 1199285629 /nfs/dbraw/zinc/28/56/29/1199285629.db2.gz RFNLQDIFAWPZGL-TVFCKZIOSA-N 0 3 378.517 0.299 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000672655322 1199310024 /nfs/dbraw/zinc/31/00/24/1199310024.db2.gz KUZYYNZWDSOZQE-QZTJIDSGSA-N 0 3 380.533 0.690 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000672655324 1199310623 /nfs/dbraw/zinc/31/06/23/1199310623.db2.gz KUZYYNZWDSOZQE-ZWKOTPCHSA-N 0 3 380.533 0.690 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C(N)=O)c1)C2)N(C)C ZINC001002848178 1199314079 /nfs/dbraw/zinc/31/40/79/1199314079.db2.gz LMUNLUCFFFLWJL-LUYZLQTOSA-N 0 3 375.473 0.562 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(Cc2cc(C)on2)CC1 ZINC000672696112 1199315847 /nfs/dbraw/zinc/31/58/47/1199315847.db2.gz NNBQWKBFYOZCPX-INIZCTEOSA-N 0 3 377.489 0.618 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000672696280 1199316061 /nfs/dbraw/zinc/31/60/61/1199316061.db2.gz BJIZBVLTMOKUQJ-QWHCGFSZSA-N 0 3 392.422 0.647 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000672695453 1199316075 /nfs/dbraw/zinc/31/60/75/1199316075.db2.gz HBGHFMRZIUPMHV-HNNXBMFYSA-N 0 3 376.457 0.555 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)N[C@H](CC)CN3CCCC3)CC2)n1 ZINC000672698019 1199318944 /nfs/dbraw/zinc/31/89/44/1199318944.db2.gz HEWBMOCFHGIUTB-CQSZACIVSA-N 0 3 394.545 0.740 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2c(C)noc2C)CC1 ZINC000672719792 1199321274 /nfs/dbraw/zinc/32/12/74/1199321274.db2.gz KGURWKKOUNECMT-CYBMUJFWSA-N 0 3 393.488 0.481 20 0 GCADHN Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000672724399 1199321326 /nfs/dbraw/zinc/32/13/26/1199321326.db2.gz ZKYLEXXWNAVEEN-CYBMUJFWSA-N 0 3 391.472 0.235 20 0 GCADHN CC1(C)CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000672903783 1199363210 /nfs/dbraw/zinc/36/32/10/1199363210.db2.gz MBUKWHIDSCUKPN-MRXNPFEDSA-N 0 3 378.517 0.838 20 0 GCADHN CC(C)OCCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000673006762 1199389474 /nfs/dbraw/zinc/38/94/74/1199389474.db2.gz AGFNDWGLPVUUIN-GOSISDBHSA-N 0 3 377.485 0.935 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c2ccccc2O1 ZINC000066223088 1199391538 /nfs/dbraw/zinc/39/15/38/1199391538.db2.gz YOEUVNVAJXXRJE-PBHICJAKSA-N 0 3 387.436 0.650 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c2ccccc2O1 ZINC000066223087 1199391640 /nfs/dbraw/zinc/39/16/40/1199391640.db2.gz YOEUVNVAJXXRJE-WMLDXEAASA-N 0 3 387.436 0.650 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c2ccccc2O1 ZINC000066223169 1199391781 /nfs/dbraw/zinc/39/17/81/1199391781.db2.gz VNULXTGROXVYQF-WMLDXEAASA-N 0 3 386.452 0.223 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nnnc1C(C)C)C2)N(C)C ZINC001003025314 1199391837 /nfs/dbraw/zinc/39/18/37/1199391837.db2.gz PQFPOKNKFOLESM-KBXIAJHMSA-N 0 3 377.493 0.385 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCCOC2CCOCC2)CC1 ZINC000466052555 1199396146 /nfs/dbraw/zinc/39/61/46/1199396146.db2.gz BALKKWLFQAODOG-UHFFFAOYSA-N 0 3 382.505 0.522 20 0 GCADHN CC1(C)CN(C(=O)NCc2nc(COc3ccccc3)n[nH]2)CCN1CCO ZINC000673032632 1199399165 /nfs/dbraw/zinc/39/91/65/1199399165.db2.gz PQAKUPOLCVITKF-UHFFFAOYSA-N 0 3 388.472 0.982 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCOC2CCOCC2)CC1 ZINC000466059738 1199402683 /nfs/dbraw/zinc/40/26/83/1199402683.db2.gz UDOOYZXBQBFKLD-UHFFFAOYSA-N 0 3 384.521 0.768 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1C ZINC000265817464 1199415240 /nfs/dbraw/zinc/41/52/40/1199415240.db2.gz MIBBAEVXJHQJQU-AWEZNQCLSA-N 0 3 390.484 0.720 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(N(C)C)CCC2)C1 ZINC001003105974 1199416124 /nfs/dbraw/zinc/41/61/24/1199416124.db2.gz BLTJLPGIXOQTOH-QCODTGAPSA-N 0 3 376.501 0.634 20 0 GCADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 ZINC000673116153 1199426716 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O=C(CNC(=O)c1ccccc1OC(F)F)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673510952 1199723864 /nfs/dbraw/zinc/72/38/64/1199723864.db2.gz HHJJTTZETDGEQM-OLZOCXBDSA-N 0 3 383.395 0.685 20 0 GCADHN CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673516640 1199725800 /nfs/dbraw/zinc/72/58/00/1199725800.db2.gz XTACZTQQNMZWJK-CVEARBPZSA-N 0 3 381.498 0.195 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000673519372 1199726985 /nfs/dbraw/zinc/72/69/85/1199726985.db2.gz KHIPMXXPMMYKSZ-KGLIPLIRSA-N 0 3 375.425 0.114 20 0 GCADHN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN(C)C)cc1 ZINC000673521356 1199727960 /nfs/dbraw/zinc/72/79/60/1199727960.db2.gz PAPNPPGSQUBZKA-ZBFHGGJFSA-N 0 3 383.514 0.902 20 0 GCADHN CC(C)[C@H](C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)N1C(=O)c2ccccc2C1=O ZINC000673516460 1199728830 /nfs/dbraw/zinc/72/88/30/1199728830.db2.gz RNJLBOCEXNBFAC-RVKKMQEKSA-N 0 3 385.464 0.975 20 0 GCADHN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673515617 1199729244 /nfs/dbraw/zinc/72/92/44/1199729244.db2.gz DBCBZDJBJZRORK-HZPDHXFCSA-N 0 3 381.498 0.654 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000673525648 1199731687 /nfs/dbraw/zinc/73/16/87/1199731687.db2.gz OHYBXLDBKKNIBQ-KRWDZBQOSA-N 0 3 396.532 0.463 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000673520816 1199733900 /nfs/dbraw/zinc/73/39/00/1199733900.db2.gz LOSSJQXILWWVBT-MRXNPFEDSA-N 0 3 383.514 0.442 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000673530434 1199735642 /nfs/dbraw/zinc/73/56/42/1199735642.db2.gz GVUKFHBMBVDUOX-WMZOPIPTSA-N 0 3 395.525 0.803 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC000673529686 1199735829 /nfs/dbraw/zinc/73/58/29/1199735829.db2.gz AFFQQNSFJAAWPR-OAHLLOKOSA-N 0 3 399.513 0.106 20 0 GCADHN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1 ZINC000673529675 1199735930 /nfs/dbraw/zinc/73/59/30/1199735930.db2.gz 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ZINC001005264631 1200234335 /nfs/dbraw/zinc/23/43/35/1200234335.db2.gz ADNGBQXOLRCDGE-HGTKMLMNSA-N 0 3 375.473 0.939 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001005264632 1200234430 /nfs/dbraw/zinc/23/44/30/1200234430.db2.gz ADNGBQXOLRCDGE-NYTXWWLZSA-N 0 3 375.473 0.939 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)N1C(C)C)C2)N(C)C ZINC001005322348 1200253708 /nfs/dbraw/zinc/25/37/08/1200253708.db2.gz OFQFNAHRJJPUGC-MTSZKFMLSA-N 0 3 378.517 0.974 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)NC[C@@H]3C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674539892 1200271785 /nfs/dbraw/zinc/27/17/85/1200271785.db2.gz AEBCNYONASSZSN-OAHLLOKOSA-N 0 3 395.467 0.413 20 0 GCADHN CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033908442 1200295442 /nfs/dbraw/zinc/29/54/42/1200295442.db2.gz RCTZLZUBXCHYRM-ZSYWTGECSA-N 0 3 376.501 0.937 20 0 GCADHN CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001033908556 1200295513 /nfs/dbraw/zinc/29/55/13/1200295513.db2.gz UYOLNZJLTAKTBD-WZGPROSRSA-N 0 3 376.501 0.937 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CN1C1CC1 ZINC000674689160 1200309089 /nfs/dbraw/zinc/30/90/89/1200309089.db2.gz IJFCHGUWKNWXNL-OLZOCXBDSA-N 0 3 382.486 0.391 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)C2CCC3(CC2)NC(=O)NC3=O)C[C@H](C)O1 ZINC000674731654 1200312869 /nfs/dbraw/zinc/31/28/69/1200312869.db2.gz GTSSYMSKEBEZMV-WWMCIYDGSA-N 0 3 380.489 0.760 20 0 GCADHN COC[C@](C)(O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000674765755 1200318730 /nfs/dbraw/zinc/31/87/30/1200318730.db2.gz HAODJNGTBKSTTE-PXNSSMCTSA-N 0 3 376.501 0.840 20 0 GCADHN CCN1C(=O)[C@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CCN2C1=O ZINC000675084395 1200348288 /nfs/dbraw/zinc/34/82/88/1200348288.db2.gz VXSLVSPNQOQTRD-DLBZAZTESA-N 0 3 385.468 0.939 20 0 GCADHN CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](Cc3ccccc3)N(C)C)CCN2C1=O ZINC000675083858 1200348745 /nfs/dbraw/zinc/34/87/45/1200348745.db2.gz ATGCSBPUXTVFNF-DLBZAZTESA-N 0 3 387.484 0.837 20 0 GCADHN CN(c1ccccc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)S(C)(=O)=O ZINC000675124920 1200353744 /nfs/dbraw/zinc/35/37/44/1200353744.db2.gz LNYXAVUWAXOKOR-AWEZNQCLSA-N 0 3 394.497 0.621 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000675134391 1200354565 /nfs/dbraw/zinc/35/45/65/1200354565.db2.gz FSDZTAZWUDBISN-ATZDWAIDSA-N 0 3 386.496 0.893 20 0 GCADHN CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1F ZINC000675263162 1200367089 /nfs/dbraw/zinc/36/70/89/1200367089.db2.gz WDSZNQWQDZIGSD-HNNXBMFYSA-N 0 3 397.472 0.909 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1CC(N)=O)C2)N(C)C ZINC001005569591 1200374393 /nfs/dbraw/zinc/37/43/93/1200374393.db2.gz QWZLUGHWAWLFIH-RZFFKMDDSA-N 0 3 376.457 0.509 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1CC(N)=O)C2)N(C)C ZINC001005569589 1200374800 /nfs/dbraw/zinc/37/48/00/1200374800.db2.gz QWZLUGHWAWLFIH-NGFQHRJXSA-N 0 3 376.457 0.509 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000041671051 1200390759 /nfs/dbraw/zinc/39/07/59/1200390759.db2.gz UEICDGLPSSJKGN-UHFFFAOYSA-N 0 3 391.516 0.838 20 0 GCADHN CN(CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1CC1 ZINC000675403184 1200393434 /nfs/dbraw/zinc/39/34/34/1200393434.db2.gz BMFXGNKFUYFEFN-HNNXBMFYSA-N 0 3 396.850 0.911 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000675541516 1200428273 /nfs/dbraw/zinc/42/82/73/1200428273.db2.gz UYGNGZKDTGSDLZ-WMZOPIPTSA-N 0 3 385.464 0.875 20 0 GCADHN CNS(=O)(=O)c1ccc(CCC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000675539223 1200428547 /nfs/dbraw/zinc/42/85/47/1200428547.db2.gz ZXFBVCDMXDMBGE-QGZVFWFLSA-N 0 3 395.525 0.897 20 0 GCADHN Cc1cccc(C)c1OC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000675581192 1200434779 /nfs/dbraw/zinc/43/47/79/1200434779.db2.gz ZKQKVISGJUMIJN-IAGOWNOFSA-N 0 3 377.485 0.569 20 0 GCADHN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000675698489 1200451375 /nfs/dbraw/zinc/45/13/75/1200451375.db2.gz FLFIQSBPFNVYLG-OAHLLOKOSA-N 0 3 377.466 0.555 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2n2ccnn2)O1 ZINC001129112233 1200466651 /nfs/dbraw/zinc/46/66/51/1200466651.db2.gz AGCSAOJOCXZWFB-NCOADZHNSA-N 0 3 390.488 0.233 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000675917927 1200467910 /nfs/dbraw/zinc/46/79/10/1200467910.db2.gz JUMISIMLSJKYLI-SFHVURJKSA-N 0 3 382.468 0.705 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccn2)CC1 ZINC000675917970 1200468427 /nfs/dbraw/zinc/46/84/27/1200468427.db2.gz KLSOWUCYXVTCHC-OALUTQOASA-N 0 3 385.512 0.811 20 0 GCADHN CNC(=O)[C@H](C)N1CCC2(C1)CCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CC2 ZINC001035212467 1200469495 /nfs/dbraw/zinc/46/94/95/1200469495.db2.gz MICWCSLUFAGBQW-LUKYLMHMSA-N 0 3 379.501 0.487 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(CCN([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035207765 1200470033 /nfs/dbraw/zinc/47/00/33/1200470033.db2.gz GXFBMJCDZBDXIH-ZHHZMWCQSA-N 0 3 387.480 0.530 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC2(CCN([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035231888 1200473430 /nfs/dbraw/zinc/47/34/30/1200473430.db2.gz WNZJLGBZHZFVSA-WCVJEAGWSA-N 0 3 375.469 0.674 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cc3c([nH]c2=O)CCC3)CC1 ZINC000675987913 1200475297 /nfs/dbraw/zinc/47/52/97/1200475297.db2.gz VUSYBCPHNULXMK-KRWDZBQOSA-N 0 3 387.484 0.724 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cc3c([nH]c2=O)CCC3)CC1 ZINC000675987914 1200475503 /nfs/dbraw/zinc/47/55/03/1200475503.db2.gz VUSYBCPHNULXMK-QGZVFWFLSA-N 0 3 387.484 0.724 20 0 GCADHN Cc1c(C(=O)NC2(C(N)=O)CCOCC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000676281379 1200534411 /nfs/dbraw/zinc/53/44/11/1200534411.db2.gz SKXMXVPCHQWACJ-UHFFFAOYSA-N 0 3 398.467 0.328 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676344850 1200545611 /nfs/dbraw/zinc/54/56/11/1200545611.db2.gz UHFARAZVNDGRGK-IAGOWNOFSA-N 0 3 387.546 0.950 20 0 GCADHN C[C@]1(c2cccc(C(=O)NC3CCN([C@H]4CCOC4)CC3)c2)NC(=O)NC1=O ZINC000676345248 1200545910 /nfs/dbraw/zinc/54/59/10/1200545910.db2.gz NBHPHEMLOWXXSC-OXJNMPFZSA-N 0 3 386.452 0.724 20 0 GCADHN C[C@]1(c2ccc(C(=O)NC3CCN([C@@H]4CCOC4)CC3)cc2)NC(=O)NC1=O ZINC000676340754 1200546391 /nfs/dbraw/zinc/54/63/91/1200546391.db2.gz FOYMYXYJNJHAFC-OXQOHEQNSA-N 0 3 386.452 0.724 20 0 GCADHN CC(C)(CO)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000676361244 1200550836 /nfs/dbraw/zinc/55/08/36/1200550836.db2.gz FRIFLUQYDZYEPO-UHFFFAOYSA-N 0 3 390.484 0.457 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCCNC(=O)c2cccnc2)CC1 ZINC000676445684 1200558710 /nfs/dbraw/zinc/55/87/10/1200558710.db2.gz BGIZRSWFPFXXCP-KRWDZBQOSA-N 0 3 387.484 0.532 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC001118061340 1200576008 /nfs/dbraw/zinc/57/60/08/1200576008.db2.gz DQIYKPDTQNSPKO-IXDOHACOSA-N 0 3 380.533 0.450 20 0 GCADHN COc1cc(NC(C)=O)ccc1[C@@H](C)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000676638962 1200579953 /nfs/dbraw/zinc/57/99/53/1200579953.db2.gz DKLOZILTPODNRN-CQSZACIVSA-N 0 3 398.529 0.881 20 0 GCADHN COc1ccc(COC[C@H](O)CN2CCN(C(C)(C)CO)CC2)cc1OC ZINC000676701462 1200585371 /nfs/dbraw/zinc/58/53/71/1200585371.db2.gz DXDSQDXTWNSLOJ-QGZVFWFLSA-N 0 3 382.501 0.970 20 0 GCADHN COCCCCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](n2ccnn2)C1 ZINC001129263013 1200593482 /nfs/dbraw/zinc/59/34/82/1200593482.db2.gz YCQNBIFKWULVCE-TWMKSMIVSA-N 0 3 392.504 0.338 20 0 GCADHN CCN(CC)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001062227634 1200593742 /nfs/dbraw/zinc/59/37/42/1200593742.db2.gz GJVWYYAUCRKSTI-MJQMVNBJSA-N 0 3 381.517 0.877 20 0 GCADHN CN(C)CCN(C(=O)Nc1ccn(CCN2CCOCC2)n1)C1CCCC1 ZINC000467578755 1200628464 /nfs/dbraw/zinc/62/84/64/1200628464.db2.gz RHYZEUQQVSWYMH-UHFFFAOYSA-N 0 3 378.521 1.553 20 0 GCADHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1nc2n(n1)CCCC2 ZINC000453713144 1200628711 /nfs/dbraw/zinc/62/87/11/1200628711.db2.gz TZEHNBAFILOMSH-UHFFFAOYSA-N 0 3 376.505 1.523 20 0 GCADHN Cn1nc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1OC(F)F ZINC000548000511 1200640990 /nfs/dbraw/zinc/64/09/90/1200640990.db2.gz SCWODZZVRIHECK-UHFFFAOYSA-N 0 3 386.403 0.793 20 0 GCADHN COC(=O)c1ccsc1N1CC[C@H](Sc2nnnn2CCN(C)C)C1=O ZINC000466643791 1200663703 /nfs/dbraw/zinc/66/37/03/1200663703.db2.gz VVIMEEWVLHTHLJ-NSHDSACASA-N 0 3 396.498 0.980 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2nc3n(n2)CCCC3)C1 ZINC000651642569 1200665788 /nfs/dbraw/zinc/66/57/88/1200665788.db2.gz GEZPGAGMBZTPQD-MRXNPFEDSA-N 0 3 382.468 1.286 20 0 GCADHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C[C@@H](C)C1 ZINC000556489194 1200699506 /nfs/dbraw/zinc/69/95/06/1200699506.db2.gz NHKBEPGTKXOTHE-BQFCYCMXSA-N 0 3 396.495 1.454 20 0 GCADHN NC(=O)c1cn(C2CCN(C[C@@H](O)COc3cccc4[nH]ccc43)CC2)nn1 ZINC000625806033 1200715523 /nfs/dbraw/zinc/71/55/23/1200715523.db2.gz APLXNRVEWLOLDB-CQSZACIVSA-N 0 3 384.440 0.935 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3csc(Nc4cc(F)cc(F)c4)n3)CCN2C1=O ZINC000580571834 1200741881 /nfs/dbraw/zinc/74/18/81/1200741881.db2.gz GGTVXIOIXQRPRL-STQMWFEESA-N 0 3 393.419 1.549 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)Nc2nc3cc(Cl)ccn3n2)CC1 ZINC000568453003 1200757604 /nfs/dbraw/zinc/75/76/04/1200757604.db2.gz XSPHTXICADBVEN-UHFFFAOYSA-N 0 3 391.863 1.155 20 0 GCADHN COC(=O)CCCc1nnc(NC(=O)NCCN2CCN(C)C(C)(C)C2)s1 ZINC000441674222 1200779323 /nfs/dbraw/zinc/77/93/23/1200779323.db2.gz XMURPEOILWSNJR-UHFFFAOYSA-N 0 3 398.533 1.181 20 0 GCADHN CC(C)[C@H](C(=O)NC1(CCO)CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)N(C)C ZINC001487042055 1200811958 /nfs/dbraw/zinc/81/19/58/1200811958.db2.gz LGYYPFRNQHUOSI-MWDXBVQZSA-N 0 3 381.517 0.467 20 0 GCADHN CC(C)(C)NC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCC1 ZINC001273161036 1200814856 /nfs/dbraw/zinc/81/48/56/1200814856.db2.gz FPMCAEYJVDLKLA-MCIONIFRSA-N 0 3 380.489 0.807 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](C(C)C)N2CCOCC2)CC1 ZINC000509330651 1200851383 /nfs/dbraw/zinc/85/13/83/1200851383.db2.gz HNRLUIUAOJGFPI-SFHVURJKSA-N 0 3 397.564 0.539 20 0 GCADHN Cc1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nn1-c1cc(C)cc(C)c1 ZINC000566505614 1200862459 /nfs/dbraw/zinc/86/24/59/1200862459.db2.gz YRGTXRXIGNBUTH-DLBZAZTESA-N 0 3 382.468 1.573 20 0 GCADHN COCCn1ccc(NC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)n1 ZINC000576299303 1200889154 /nfs/dbraw/zinc/88/91/54/1200889154.db2.gz XGRJIPBCXGLQBQ-UHFFFAOYSA-N 0 3 375.429 1.177 20 0 GCADHN O=C(Nc1ccnc(OCC(F)(F)F)n1)N[C@H]1CCCN(CCCO)C1 ZINC000455950754 1200890392 /nfs/dbraw/zinc/89/03/92/1200890392.db2.gz ALTCJTLCTFLPRW-NSHDSACASA-N 0 3 377.367 1.386 20 0 GCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000437223214 1200900209 /nfs/dbraw/zinc/90/02/09/1200900209.db2.gz SDWMSGWKQSFVOV-KRWDZBQOSA-N 0 3 384.484 1.575 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)[C@@H](C)O)cc1 ZINC000923272873 1200917967 /nfs/dbraw/zinc/91/79/67/1200917967.db2.gz AQRBNHWXMKRVBP-CBZIJGRNSA-N 0 3 395.525 0.718 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccnc(NC(=O)C3CC3)c2)CC1 ZINC000671686172 1200951153 /nfs/dbraw/zinc/95/11/53/1200951153.db2.gz ZZJVDCYJZLPCEZ-MRXNPFEDSA-N 0 3 385.468 0.984 20 0 GCADHN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000923332834 1200953018 /nfs/dbraw/zinc/95/30/18/1200953018.db2.gz MFQFJQNCTXNJQQ-MSOLQXFVSA-N 0 3 390.484 0.281 20 0 GCADHN CCOc1ccc(OC[C@@H](O)CN2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000923331756 1200956775 /nfs/dbraw/zinc/95/67/75/1200956775.db2.gz FXTGXEFOQHYMGJ-SJORKVTESA-N 0 3 377.485 0.721 20 0 GCADHN CCOc1cc(C(=O)Nc2nn(C)c(C)c2CN)ccc1OCC(=O)OC ZINC000595958756 1200962298 /nfs/dbraw/zinc/96/22/98/1200962298.db2.gz HOZLRTNCZQJLLE-UHFFFAOYSA-N 0 3 376.413 1.390 20 0 GCADHN COc1ccc(Cn2ccc(NC(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)n2)cc1 ZINC000453915179 1200974718 /nfs/dbraw/zinc/97/47/18/1200974718.db2.gz JGBFWYZUMAECKA-DOTOQJQBSA-N 0 3 383.452 1.041 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC000625974959 1200974842 /nfs/dbraw/zinc/97/48/42/1200974842.db2.gz KOQKXBDDPBDXCV-HNNXBMFYSA-N 0 3 377.489 0.779 20 0 GCADHN COC(CN1C[C@@]2(F)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(F)C1=O)OC ZINC001273182891 1201053531 /nfs/dbraw/zinc/05/35/31/1201053531.db2.gz NAILMEXZKUAFSU-KBRIMQKVSA-N 0 3 377.432 0.293 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)NCC2(N3CCSCC3)CCCCC2)n1 ZINC000566403757 1201083916 /nfs/dbraw/zinc/08/39/16/1201083916.db2.gz NUXDYZIYLAALCC-UHFFFAOYSA-N 0 3 379.534 1.001 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000553222782 1201085262 /nfs/dbraw/zinc/08/52/62/1201085262.db2.gz IQIPKNONYZADSU-OAHLLOKOSA-N 0 3 385.472 0.541 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000579847279 1201086584 /nfs/dbraw/zinc/08/65/84/1201086584.db2.gz FZTCGCWMQTZYAQ-UHFFFAOYSA-N 0 3 384.488 0.197 20 0 GCADHN COCc1ncc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(N)n1 ZINC000503829530 1201115329 /nfs/dbraw/zinc/11/53/29/1201115329.db2.gz OSFPRVRITCGJRP-NVXWUHKLSA-N 0 3 385.468 0.818 20 0 GCADHN CC[C@H](C)N[C@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccco1 ZINC000622047445 1201115560 /nfs/dbraw/zinc/11/55/60/1201115560.db2.gz TTZCXAMWGKNEEU-QWHCGFSZSA-N 0 3 389.460 0.743 20 0 GCADHN Cc1nc(CN2CC3(CN(C(=O)[C@@H](C(C)C)N(C)C)C3)OCC2=O)cs1 ZINC001273187441 1201128523 /nfs/dbraw/zinc/12/85/23/1201128523.db2.gz MBTIFJLULUILRM-MRXNPFEDSA-N 0 3 380.514 0.978 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)c2nc(N)nc(N3CCOCC3)n2)c1 ZINC000651255191 1201142643 /nfs/dbraw/zinc/14/26/43/1201142643.db2.gz KDAWRNFMBZOKMU-UHFFFAOYSA-N 0 3 399.499 0.803 20 0 GCADHN C[C@H]1CN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CCN(C2CCC2)C1 ZINC000572127021 1201145335 /nfs/dbraw/zinc/14/53/35/1201145335.db2.gz VFNMFHHFVURIOG-CYBMUJFWSA-N 0 3 375.477 0.237 20 0 GCADHN Nc1nc(CN2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)nc2ccccc12 ZINC000535004687 1201150553 /nfs/dbraw/zinc/15/05/53/1201150553.db2.gz IXNRFZDUYLTCAF-GOSISDBHSA-N 0 3 395.511 0.246 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000590498684 1201161473 /nfs/dbraw/zinc/16/14/73/1201161473.db2.gz YXKWSGQMYHMJIQ-HNNXBMFYSA-N 0 3 387.488 0.579 20 0 GCADHN COc1cccc(OC)c1OC1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923592560 1201172724 /nfs/dbraw/zinc/17/27/24/1201172724.db2.gz YFVWANZUAZQLTP-UHFFFAOYSA-N 0 3 385.486 0.697 20 0 GCADHN Nc1nc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)nc(N2CCOCC2)n1 ZINC000553128886 1201178236 /nfs/dbraw/zinc/17/82/36/1201178236.db2.gz JZIHUAXXJRDMGJ-MRXNPFEDSA-N 0 3 397.483 0.685 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000499759794 1201195779 /nfs/dbraw/zinc/19/57/79/1201195779.db2.gz PYCRVKRYBVLMDS-QUYZETPZSA-N 0 3 391.516 0.284 20 0 GCADHN C[C@H]1CCN(CC(=O)NC2(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCC2)C1 ZINC001063969113 1201205786 /nfs/dbraw/zinc/20/57/86/1201205786.db2.gz OBEPJGSBSAHLNI-NBOOPKSLSA-N 0 3 379.501 0.535 20 0 GCADHN CCOC(=O)CC[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000611038286 1201213111 /nfs/dbraw/zinc/21/31/11/1201213111.db2.gz NXIREIYQGJWEGU-KRWDZBQOSA-N 0 3 396.532 0.274 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C[C@H](C)O1 ZINC000500420775 1201222192 /nfs/dbraw/zinc/22/21/92/1201222192.db2.gz FZYPMUZYARAQOG-ULTJTSLDSA-N 0 3 388.512 0.946 20 0 GCADHN COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@@H](C)C2)cc1 ZINC000611202646 1201223477 /nfs/dbraw/zinc/22/34/77/1201223477.db2.gz AAOZSRSQOJMWKQ-LPHOPBHVSA-N 0 3 386.496 0.900 20 0 GCADHN COC(=O)c1csc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1C ZINC000611456213 1201239395 /nfs/dbraw/zinc/23/93/95/1201239395.db2.gz PRTRNSYXYSPCSA-UHFFFAOYSA-N 0 3 382.486 0.535 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CN(CCCO)C[C@H]2O)O1 ZINC001079136750 1201247157 /nfs/dbraw/zinc/24/71/57/1201247157.db2.gz ANBKJPWPJUTXHE-VBSBHUPXSA-N 0 3 391.512 0.162 20 0 GCADHN C[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001079737643 1201256397 /nfs/dbraw/zinc/25/63/97/1201256397.db2.gz VINSCLIDXZOWPQ-QJNYJZHLSA-N 0 3 378.473 0.180 20 0 GCADHN C[C@@H]1CN(Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001079950542 1201260434 /nfs/dbraw/zinc/26/04/34/1201260434.db2.gz YYQJZQDZYWHTRO-BCXHYRKLSA-N 0 3 386.500 0.624 20 0 GCADHN COc1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1C ZINC001080436111 1201271088 /nfs/dbraw/zinc/27/10/88/1201271088.db2.gz HWASORVKZBMLPH-ZYRRHWMLSA-N 0 3 375.469 0.973 20 0 GCADHN CC[C@@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)N(C)C ZINC001080919637 1201285263 /nfs/dbraw/zinc/28/52/63/1201285263.db2.gz JRRMRYNBZBWHAY-DZTUFKMZSA-N 0 3 379.501 0.220 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001080928153 1201289378 /nfs/dbraw/zinc/28/93/78/1201289378.db2.gz YTJQJCOOLKINJZ-PITCONLNSA-N 0 3 391.512 0.221 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082521736 1201337452 /nfs/dbraw/zinc/33/74/52/1201337452.db2.gz XEVMZNUUJAXLBE-QKPAOTATSA-N 0 3 378.517 0.454 20 0 GCADHN CNC(=O)C1CCN(C(=O)CN[C@@H]2CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]2C)CC1 ZINC001082653725 1201342911 /nfs/dbraw/zinc/34/29/11/1201342911.db2.gz AFCXFEIYEIUREG-VGKBRBPRSA-N 0 3 390.528 0.598 20 0 GCADHN COc1ccc(C)cc1CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001082738878 1201344889 /nfs/dbraw/zinc/34/48/89/1201344889.db2.gz KQKSJLUVWDSQAW-LFVTVUPYSA-N 0 3 375.469 0.973 20 0 GCADHN CNC(=O)c1cccc(CN[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2C)c1 ZINC001082747061 1201345068 /nfs/dbraw/zinc/34/50/68/1201345068.db2.gz VDUOJZWBPDTFOJ-LFVTVUPYSA-N 0 3 386.496 0.884 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@H]1NCc1cncn1C ZINC001082738698 1201345167 /nfs/dbraw/zinc/34/51/67/1201345167.db2.gz ZZYZTHDMCHKJJU-DDBAPUKQSA-N 0 3 389.500 0.527 20 0 GCADHN CC(C)c1nc(CN[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2C)n[nH]1 ZINC001082739135 1201346057 /nfs/dbraw/zinc/34/60/57/1201346057.db2.gz AATGGICKRAQUEU-APIJFGDWSA-N 0 3 392.504 0.500 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1NCc1n[nH]c(C(C)(C)C)n1 ZINC001082746260 1201348145 /nfs/dbraw/zinc/34/81/45/1201348145.db2.gz UJZXPTUENMBPPB-YIYPIFLZSA-N 0 3 376.505 0.763 20 0 GCADHN CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001006198968 1201350299 /nfs/dbraw/zinc/35/02/99/1201350299.db2.gz KKZHYACAYTUZBV-VQHPVUNQSA-N 0 3 376.501 0.731 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)CCn3cc[nH]c(=O)c3=O)CC2)cc1 ZINC000727849140 1201371911 /nfs/dbraw/zinc/37/19/11/1201371911.db2.gz UNZSJZOKKVVRKZ-UHFFFAOYSA-N 0 3 386.452 0.670 20 0 GCADHN Cn1ccc(CN2C[C@H]3OCCN(C(=O)[C@@H]4C[C@H]4c4cnc[nH]4)[C@H]3C2)cc1=O ZINC001083110210 1201377940 /nfs/dbraw/zinc/37/79/40/1201377940.db2.gz QXKWLKLKTGGXSK-XYVMCAHJSA-N 0 3 383.452 0.324 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@@H]3CN(CCC4CCOCC4)C[C@@H]32)O1 ZINC001083119501 1201381094 /nfs/dbraw/zinc/38/10/94/1201381094.db2.gz XGRJKOJBENMPRN-QXCFHYIPSA-N 0 3 381.517 0.434 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000728060028 1201392244 /nfs/dbraw/zinc/39/22/44/1201392244.db2.gz MPFFQDUAZJTDFW-GFCCVEGCSA-N 0 3 381.454 0.223 20 0 GCADHN C[C@H](CCN1CCN(c2ncccn2)CC1)N1CCN(c2ncccn2)CC1 ZINC000173173559 1201406290 /nfs/dbraw/zinc/40/62/90/1201406290.db2.gz ZOUOTXMDEPPBAG-GOSISDBHSA-N 0 3 382.516 0.989 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCN(CC2CCOCC2)CC1 ZINC000172465808 1201406940 /nfs/dbraw/zinc/40/69/40/1201406940.db2.gz TUPNFJNXYXJFSL-CQSZACIVSA-N 0 3 392.422 0.903 20 0 GCADHN CN(C)S(=O)(=O)CCCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000731664271 1201494598 /nfs/dbraw/zinc/49/45/98/1201494598.db2.gz HCMFXZCKQYYGBI-UHFFFAOYSA-N 0 3 398.529 0.771 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084961646 1201511083 /nfs/dbraw/zinc/51/10/83/1201511083.db2.gz SMTXBJAPTUJAEO-JEWRLFTDSA-N 0 3 377.485 0.873 20 0 GCADHN O=C(CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]21)N1CCOCC1 ZINC001084963459 1201512447 /nfs/dbraw/zinc/51/24/47/1201512447.db2.gz WJQBOFUHGBQXRR-KONPQCLYSA-N 0 3 387.484 0.295 20 0 GCADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H]2CCN(CCn3cncn3)[C@H]2C1 ZINC001084996646 1201532203 /nfs/dbraw/zinc/53/22/03/1201532203.db2.gz TYOHIEHHVIQVQI-RSJGLCBASA-N 0 3 375.473 0.252 20 0 GCADHN COc1cccc(OC)c1OC[C@H](O)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000732871347 1201567418 /nfs/dbraw/zinc/56/74/18/1201567418.db2.gz FENDXRMOWJRHKZ-ZACQAIPSSA-N 0 3 380.485 0.975 20 0 GCADHN COc1cccc(CN2CCC(NC(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)c1 ZINC000733136202 1201575923 /nfs/dbraw/zinc/57/59/23/1201575923.db2.gz QXFYGODAJZGZEM-UHFFFAOYSA-N 0 3 388.424 0.196 20 0 GCADHN CCN1CCN(CCNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000733161017 1201578422 /nfs/dbraw/zinc/57/84/22/1201578422.db2.gz GJSDRMJNPVSTGI-CYBMUJFWSA-N 0 3 380.411 0.903 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000733163045 1201579076 /nfs/dbraw/zinc/57/90/76/1201579076.db2.gz ATRNKKLURXFZPJ-MRXNPFEDSA-N 0 3 379.505 0.962 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000733170648 1201579164 /nfs/dbraw/zinc/57/91/64/1201579164.db2.gz OVPMMWWIHBHROS-QGZVFWFLSA-N 0 3 375.517 0.922 20 0 GCADHN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@H](C)Cn2cccn2)C1=O ZINC000733366445 1201586109 /nfs/dbraw/zinc/58/61/09/1201586109.db2.gz UGUHUOPXOQYLAT-AUUYWEPGSA-N 0 3 384.440 0.750 20 0 GCADHN CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001299310539 1201617390 /nfs/dbraw/zinc/61/73/90/1201617390.db2.gz CAZALPGGMHYTEQ-UHFFFAOYSA-N 0 3 382.534 0.769 20 0 GCADHN CN(C)C1(C(=O)NC[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CCO2)CCC1 ZINC001065395354 1201625706 /nfs/dbraw/zinc/62/57/06/1201625706.db2.gz HATAYCYRKWFJSO-LUKYLMHMSA-N 0 3 379.501 0.629 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)CN1CCN(C)CC1 ZINC000733975932 1201635347 /nfs/dbraw/zinc/63/53/47/1201635347.db2.gz ALNZKHXWWUJWNI-HNNXBMFYSA-N 0 3 398.529 0.677 20 0 GCADHN C[C@@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)CN1CCN(C)CC1 ZINC000733976183 1201635818 /nfs/dbraw/zinc/63/58/18/1201635818.db2.gz IXBXZYFBGAICRP-XJKSGUPXSA-N 0 3 391.438 0.560 20 0 GCADHN O=C(N[C@@H]1CCCC[C@H]1NCc1nnc2n1CCOC2)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001085232069 1201644168 /nfs/dbraw/zinc/64/41/68/1201644168.db2.gz JNKFAMGRKGBHEF-KBUPBQIOSA-N 0 3 385.472 0.852 20 0 GCADHN CCn1nnc(C)c1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001085243137 1201648168 /nfs/dbraw/zinc/64/81/68/1201648168.db2.gz WNTRTXSGRPKOFV-GFOCRRMGSA-N 0 3 378.521 0.843 20 0 GCADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000734486436 1201653407 /nfs/dbraw/zinc/65/34/07/1201653407.db2.gz MPZRXZOJDAHDED-DYNPQAPLSA-N 0 3 383.514 0.497 20 0 GCADHN CC(C)(C)c1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n[nH]1 ZINC001085329954 1201667860 /nfs/dbraw/zinc/66/78/60/1201667860.db2.gz MNPNVFJKDXUEKE-YIYPIFLZSA-N 0 3 392.504 0.652 20 0 GCADHN CCN(CC)[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(OC)c1 ZINC000734993933 1201669025 /nfs/dbraw/zinc/66/90/25/1201669025.db2.gz RJCAIDNKRBQMJR-QGZVFWFLSA-N 0 3 388.468 0.906 20 0 GCADHN COc1ncccc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001085331022 1201670207 /nfs/dbraw/zinc/67/02/07/1201670207.db2.gz PHVUMRVIIYLVME-LVQVYYBASA-N 0 3 376.457 0.640 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735012661 1201671674 /nfs/dbraw/zinc/67/16/74/1201671674.db2.gz DAWAWUMKPGQEKT-UHFFFAOYSA-N 0 3 380.395 0.566 20 0 GCADHN Cn1cc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c(=O)n(C)c1=O ZINC000735008501 1201671919 /nfs/dbraw/zinc/67/19/19/1201671919.db2.gz VKQBNWGZJXFVGX-UHFFFAOYSA-N 0 3 388.493 0.928 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNC(=O)NCC[S@](=O)Cc2ccccc2)C1 ZINC000735099783 1201675996 /nfs/dbraw/zinc/67/59/96/1201675996.db2.gz LKQOXEOMUCAPHQ-CRYYWNKWSA-N 0 3 394.541 0.822 20 0 GCADHN CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001085337888 1201676030 /nfs/dbraw/zinc/67/60/30/1201676030.db2.gz ADOSAYJNYKLUBS-QBPKDAKJSA-N 0 3 378.517 0.644 20 0 GCADHN CC(C)N(C)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001066244886 1201686061 /nfs/dbraw/zinc/68/60/61/1201686061.db2.gz CCTCEYXPSNZRSU-LSTDLKDCSA-N 0 3 381.517 0.875 20 0 GCADHN COCCOc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735589297 1201693101 /nfs/dbraw/zinc/69/31/01/1201693101.db2.gz ZDLCTJTXEOVSMT-WBVHZDCISA-N 0 3 377.441 0.630 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1NC(C)=O ZINC000735586866 1201693211 /nfs/dbraw/zinc/69/32/11/1201693211.db2.gz DZFPESYUFMRBIB-CABCVRRESA-N 0 3 390.440 0.572 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccnc1N1CCCCC1 ZINC000735589017 1201693758 /nfs/dbraw/zinc/69/37/58/1201693758.db2.gz XDDAYAZNSBVRSX-HOTGVXAUSA-N 0 3 387.484 0.990 20 0 GCADHN CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000735593370 1201695336 /nfs/dbraw/zinc/69/53/36/1201695336.db2.gz IFRVZVMCUJVJCR-RYUDHWBXSA-N 0 3 399.444 0.147 20 0 GCADHN CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000735593368 1201695499 /nfs/dbraw/zinc/69/54/99/1201695499.db2.gz IFRVZVMCUJVJCR-NWDGAFQWSA-N 0 3 399.444 0.147 20 0 GCADHN CC(=O)Nc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1F ZINC000735594092 1201695687 /nfs/dbraw/zinc/69/56/87/1201695687.db2.gz LQMWKMAKEXBFGA-KGLIPLIRSA-N 0 3 378.404 0.702 20 0 GCADHN CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735593372 1201695777 /nfs/dbraw/zinc/69/57/77/1201695777.db2.gz IFRVZVMCUJVJCR-VXGBXAGGSA-N 0 3 399.444 0.147 20 0 GCADHN COCCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000735596435 1201695854 /nfs/dbraw/zinc/69/58/54/1201695854.db2.gz SMFDFSPDYAQTII-LSDHHAIUSA-N 0 3 377.441 0.630 20 0 GCADHN CNC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1Cl ZINC000735597732 1201696529 /nfs/dbraw/zinc/69/65/29/1201696529.db2.gz YCAOPHPMKJAKBB-CHWSQXEVSA-N 0 3 394.859 0.618 20 0 GCADHN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@H](CO)C(C)(C)C)C1=O ZINC000735873297 1201703359 /nfs/dbraw/zinc/70/33/59/1201703359.db2.gz HRFQWCQNKREDHV-KUHUBIRLSA-N 0 3 376.457 0.872 20 0 GCADHN COCCN1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)C1 ZINC000735860119 1201703966 /nfs/dbraw/zinc/70/39/66/1201703966.db2.gz XPVILXWXSFJUDU-AWEZNQCLSA-N 0 3 386.474 0.711 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)N[C@@](CC)(C(C)C)C2=O)CC1 ZINC000738038297 1201733141 /nfs/dbraw/zinc/73/31/41/1201733141.db2.gz DEMRUJWNOJVYNX-IBGZPJMESA-N 0 3 381.521 0.787 20 0 GCADHN O=C(CN1CCCC1)N1CCN(Cn2nnn(C3CCOCC3)c2=S)CC1 ZINC000738155219 1201734580 /nfs/dbraw/zinc/73/45/80/1201734580.db2.gz DQOLTLFPMVVHIX-UHFFFAOYSA-N 0 3 395.533 0.358 20 0 GCADHN CN(CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O)[C@@H]1CCN(C)C1=O ZINC000738273575 1201736096 /nfs/dbraw/zinc/73/60/96/1201736096.db2.gz OERGNKKHGNYWJK-DYESRHJHSA-N 0 3 399.495 0.693 20 0 GCADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000739083907 1201739041 /nfs/dbraw/zinc/73/90/41/1201739041.db2.gz ATCCPKIXMKMGGT-DLBZAZTESA-N 0 3 389.452 0.710 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000738991597 1201739748 /nfs/dbraw/zinc/73/97/48/1201739748.db2.gz QRYLNGVLDNKKDM-INIZCTEOSA-N 0 3 399.536 0.559 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)CSC)cc2)CC1 ZINC000739134544 1201740608 /nfs/dbraw/zinc/74/06/08/1201740608.db2.gz ADQYYCHYUMMGFR-IBGZPJMESA-N 0 3 394.541 0.997 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000740493881 1201747383 /nfs/dbraw/zinc/74/73/83/1201747383.db2.gz KNUWAQLSXUDWKE-UHFFFAOYSA-N 0 3 394.497 0.024 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000740423962 1201747600 /nfs/dbraw/zinc/74/76/00/1201747600.db2.gz XLHXZINZKHQEGA-IEZWGBDMSA-N 0 3 397.541 0.947 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000741808420 1201785274 /nfs/dbraw/zinc/78/52/74/1201785274.db2.gz JFOMYAHBAPKVNW-IRXDYDNUSA-N 0 3 382.505 0.330 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000741808421 1201785551 /nfs/dbraw/zinc/78/55/51/1201785551.db2.gz JFOMYAHBAPKVNW-SJORKVTESA-N 0 3 382.505 0.330 20 0 GCADHN COCCN(C)CCNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000742065299 1201789394 /nfs/dbraw/zinc/78/93/94/1201789394.db2.gz YQDGXEFKBUMQAQ-UHFFFAOYSA-N 0 3 396.513 0.542 20 0 GCADHN CC(C)Cn1c(CCC(N)=O)nn(CN2CCN(CC(C)(C)O)CC2)c1=S ZINC000742151523 1201790698 /nfs/dbraw/zinc/79/06/98/1201790698.db2.gz WSWJXMCHQKDJIH-UHFFFAOYSA-N 0 3 398.577 0.834 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)c2ncccc12 ZINC000742255237 1201794803 /nfs/dbraw/zinc/79/48/03/1201794803.db2.gz SQPQCMFNTJKHAF-GOEBONIOSA-N 0 3 376.482 0.918 20 0 GCADHN CCc1nc([C@@H](C)N[C@H]2C[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n[nH]1 ZINC001086157565 1201808094 /nfs/dbraw/zinc/80/80/94/1201808094.db2.gz WFQPYZKGMGYCAA-AGCIWZEPSA-N 0 3 377.489 0.964 20 0 GCADHN C[C@@H]1CCCN1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1CCOCC1 ZINC001006287037 1201810263 /nfs/dbraw/zinc/81/02/63/1201810263.db2.gz NIEUSCGNZIHYON-TVFCKZIOSA-N 0 3 378.517 0.441 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C(=O)N1c1cnn(C)c1 ZINC000743594422 1201821261 /nfs/dbraw/zinc/82/12/61/1201821261.db2.gz URUMPJPLRKRLLE-XOUADPBQSA-N 0 3 376.461 0.076 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN(CCC(=O)OC)C2CCOCC2)CC1 ZINC000743872217 1201824994 /nfs/dbraw/zinc/82/49/94/1201824994.db2.gz REWZROGIZREOEH-UHFFFAOYSA-N 0 3 384.473 0.832 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1-n1cnnn1 ZINC000743895834 1201826396 /nfs/dbraw/zinc/82/63/96/1201826396.db2.gz WSXUQSYGLCAJKE-CYBMUJFWSA-N 0 3 387.444 0.600 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1-n1cnnn1 ZINC000743895835 1201826661 /nfs/dbraw/zinc/82/66/61/1201826661.db2.gz WSXUQSYGLCAJKE-ZDUSSCGKSA-N 0 3 387.444 0.600 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@H](COC)C3)cc2)CC1 ZINC000743928118 1201828826 /nfs/dbraw/zinc/82/88/26/1201828826.db2.gz LDIITEAWDJFTME-SFHVURJKSA-N 0 3 390.484 0.641 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1 ZINC000743981604 1201832312 /nfs/dbraw/zinc/83/23/12/1201832312.db2.gz LJEOMWOTVGTQOX-CQSZACIVSA-N 0 3 396.513 0.912 20 0 GCADHN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NCCN3CCC[C@H]3C)cc21 ZINC000743981904 1201832720 /nfs/dbraw/zinc/83/27/20/1201832720.db2.gz LZGFPEWPKQEZMX-CQSZACIVSA-N 0 3 385.468 0.926 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCN2CCC[C@H]2C)c1C ZINC000743981529 1201832728 /nfs/dbraw/zinc/83/27/28/1201832728.db2.gz JPUCFBAUPGBFIS-GFCCVEGCSA-N 0 3 382.486 0.490 20 0 GCADHN Cn1ccc(N2CCC[C@H](OC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)C2=O)n1 ZINC000744691224 1201851315 /nfs/dbraw/zinc/85/13/15/1201851315.db2.gz GUXANXJUFYFMCA-DCAQKATOSA-N 0 3 388.346 0.916 20 0 GCADHN Cn1cc(N2CCC[C@H](OC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)C2=O)cn1 ZINC000744692232 1201851359 /nfs/dbraw/zinc/85/13/59/1201851359.db2.gz NRRUYXWOBIEXEF-WOPDTQHZSA-N 0 3 388.346 0.916 20 0 GCADHN Cn1cc(N2CC[C@H](N[C@H]3C[C@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001086432791 1201874290 /nfs/dbraw/zinc/87/42/90/1201874290.db2.gz FOKDKQVPIPRDSA-LRJIBBRZSA-N 0 3 399.495 0.433 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(N(C)C)CCC1 ZINC001006317218 1201896558 /nfs/dbraw/zinc/89/65/58/1201896558.db2.gz PZRBWKWZIYAQTQ-JKJDWNRSSA-N 0 3 376.501 0.443 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1=O ZINC000746112547 1201900357 /nfs/dbraw/zinc/90/03/57/1201900357.db2.gz OJSFERCHRNTPAZ-GOSISDBHSA-N 0 3 386.496 0.949 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCCNc2ncnc3sccc32)CC1=O ZINC000746135671 1201901040 /nfs/dbraw/zinc/90/10/40/1201901040.db2.gz WWIHYYPSGDJTAT-GFCCVEGCSA-N 0 3 376.486 0.630 20 0 GCADHN COC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cc(F)ccc1F ZINC000746202267 1201902806 /nfs/dbraw/zinc/90/28/06/1201902806.db2.gz LVQVRYOOVLNBNI-BZNIZROVSA-N 0 3 383.395 0.705 20 0 GCADHN COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cc(F)ccc1F ZINC000746202274 1201902825 /nfs/dbraw/zinc/90/28/25/1201902825.db2.gz LVQVRYOOVLNBNI-ZBEGNZNMSA-N 0 3 383.395 0.705 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)CC1=O ZINC000746309169 1201906726 /nfs/dbraw/zinc/90/67/26/1201906726.db2.gz HVGYVXPIXHGEQY-CYBMUJFWSA-N 0 3 392.422 0.314 20 0 GCADHN CCN1CCN(CCC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC000746313040 1201906804 /nfs/dbraw/zinc/90/68/04/1201906804.db2.gz RESQKSRAZRSRGQ-UHFFFAOYSA-N 0 3 378.439 0.931 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000766339998 1201907216 /nfs/dbraw/zinc/90/72/16/1201907216.db2.gz OENQPTXZZRTCBL-SFHVURJKSA-N 0 3 382.468 0.575 20 0 GCADHN CC(=O)N1CCC[C@H](CNc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)C1 ZINC001168778072 1201907915 /nfs/dbraw/zinc/90/79/15/1201907915.db2.gz QZPJOXJCCVXUKQ-MRXNPFEDSA-N 0 3 395.529 0.834 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000103122319 1201917652 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CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000769268551 1202053573 /nfs/dbraw/zinc/05/35/73/1202053573.db2.gz QSTWNJMEGOWJQN-UHFFFAOYSA-N 0 3 390.440 0.099 20 0 GCADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cn(C)c(=O)n(C)c1=O ZINC000769335857 1202054832 /nfs/dbraw/zinc/05/48/32/1202054832.db2.gz ZSAAYLUPNFCMKI-UHFFFAOYSA-N 0 3 395.504 0.069 20 0 GCADHN NC(=O)C1CCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CC1 ZINC000746497793 1202056170 /nfs/dbraw/zinc/05/61/70/1202056170.db2.gz LXMVBOFTLIDMKT-NRFANRHFSA-N 0 3 399.495 0.728 20 0 GCADHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NCCCOC ZINC001109462263 1202056274 /nfs/dbraw/zinc/05/62/74/1202056274.db2.gz HQFXOWNRKWORLK-YVSFHVDLSA-N 0 3 382.549 0.979 20 0 GCADHN CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109465992 1202056783 /nfs/dbraw/zinc/05/67/83/1202056783.db2.gz DBYRIWYCPJALNT-XGUBFFRZSA-N 0 3 381.521 0.672 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCCC1=O)C2 ZINC001109484265 1202059445 /nfs/dbraw/zinc/05/94/45/1202059445.db2.gz NLIBARVEOBVJLL-BDXSIMOUSA-N 0 3 381.517 0.754 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000769534031 1202061356 /nfs/dbraw/zinc/06/13/56/1202061356.db2.gz YHDOILNWAIUTDJ-HUUCEWRRSA-N 0 3 397.520 0.848 20 0 GCADHN CC(C)NC(=O)CN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001109486091 1202062217 /nfs/dbraw/zinc/06/22/17/1202062217.db2.gz GQWRHQCFWDXJHU-SQNIBIBYSA-N 0 3 382.549 0.979 20 0 GCADHN CCN(CCO)CCNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC000769635768 1202065055 /nfs/dbraw/zinc/06/50/55/1202065055.db2.gz OYCRBPNQGPMSPO-UHFFFAOYSA-N 0 3 389.493 0.899 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)C(C)(C)C(N)=O)cc2)CC1 ZINC000769692131 1202068906 /nfs/dbraw/zinc/06/89/06/1202068906.db2.gz ZTVCBFVLUVGUJI-UHFFFAOYSA-N 0 3 376.457 0.822 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncnc1)C2 ZINC001109527663 1202072243 /nfs/dbraw/zinc/07/22/43/1202072243.db2.gz FVGNBQYEXNZDBV-BDXSIMOUSA-N 0 3 378.473 0.155 20 0 GCADHN Cn1nccc1CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001109541705 1202073561 /nfs/dbraw/zinc/07/35/61/1202073561.db2.gz IJPBVYBNVGWWFS-ZBRFXRBCSA-N 0 3 389.500 0.497 20 0 GCADHN CCC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCOC)S(N)(=O)=O ZINC001109559459 1202078687 /nfs/dbraw/zinc/07/86/87/1202078687.db2.gz COFLRZJMIAVYHH-UGUYLWEFSA-N 0 3 375.535 0.982 20 0 GCADHN C[C@H](CNC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)CN1CCN(C)CC1 ZINC000770033306 1202083198 /nfs/dbraw/zinc/08/31/98/1202083198.db2.gz YLOQONIAJHBSHU-KURKYZTESA-N 0 3 392.548 0.759 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2CCNC2=O)C[C@H]1C(=O)N1CCSC1 ZINC001170013264 1202087694 /nfs/dbraw/zinc/08/76/94/1202087694.db2.gz FJVKBVMBBSCFIO-UPJWGTAASA-N 0 3 384.502 0.375 20 0 GCADHN CC[C@H](N[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C(N)=O ZINC001170013384 1202088875 /nfs/dbraw/zinc/08/88/75/1202088875.db2.gz GHVXAAXDXLRHIS-AGIUHOORSA-N 0 3 386.518 0.751 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F)[C@H]1[C@@H]2COC[C@@H]21 ZINC001109620703 1202091193 /nfs/dbraw/zinc/09/11/93/1202091193.db2.gz LSALWVUTNAFGGI-GHSMDMSISA-N 0 3 378.391 0.540 20 0 GCADHN NC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC001109664548 1202101985 /nfs/dbraw/zinc/10/19/85/1202101985.db2.gz CYACMOFPFWOSNS-QZWWFDLISA-N 0 3 375.444 0.716 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(=O)n1C)C2 ZINC001109701967 1202107684 /nfs/dbraw/zinc/10/76/84/1202107684.db2.gz NXSUDFZVYURNJI-QZWWFDLISA-N 0 3 377.485 0.754 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOCC(F)(F)F)O1 ZINC001109716195 1202108009 /nfs/dbraw/zinc/10/80/09/1202108009.db2.gz XGJWCFYRTXQNFQ-IKOXMDCHSA-N 0 3 393.406 0.710 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccnc1C)C2 ZINC001109717271 1202108464 /nfs/dbraw/zinc/10/84/64/1202108464.db2.gz JAIPCZLSXPGBAR-YRXWBPOGSA-N 0 3 377.485 0.678 20 0 GCADHN C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(=O)NC2CC2)C1 ZINC001109718395 1202109718 /nfs/dbraw/zinc/10/97/18/1202109718.db2.gz GDLOPDTUTGUMOX-UKMLZYKCSA-N 0 3 377.489 0.038 20 0 GCADHN O=C(CCc1cnn[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@H]1CCS(=O)(=O)C1 ZINC001109740401 1202115829 /nfs/dbraw/zinc/11/58/29/1202115829.db2.gz QLAWYDPFSJYYMW-UKMLZYKCSA-N 0 3 381.502 0.284 20 0 GCADHN CC(C)NC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnc[nH]1)C2 ZINC001109763595 1202119846 /nfs/dbraw/zinc/11/98/46/1202119846.db2.gz SOUBQFNLVIECDQ-RZFFKMDDSA-N 0 3 376.461 0.296 20 0 GCADHN Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C3)cc1 ZINC001109770912 1202120487 /nfs/dbraw/zinc/12/04/87/1202120487.db2.gz GQXRSPNWDQREAA-IKGGRYGDSA-N 0 3 380.514 0.613 20 0 GCADHN CC(C)(C)OC(=O)N1CC(OCC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000771039847 1202122153 /nfs/dbraw/zinc/12/21/53/1202122153.db2.gz NGQOITZNTLQSQX-HNNXBMFYSA-N 0 3 383.489 0.992 20 0 GCADHN O=C(COC1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCc2ncnn21 ZINC001109787178 1202123000 /nfs/dbraw/zinc/12/30/00/1202123000.db2.gz WRRRPVUCCJEYNP-JHNDHUHGSA-N 0 3 375.473 0.683 20 0 GCADHN CN1CC[C@@H](N[C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1=O ZINC001170020843 1202123007 /nfs/dbraw/zinc/12/30/07/1202123007.db2.gz RVOHEFSVUPKLNJ-MCIONIFRSA-N 0 3 398.529 0.718 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@H](n2nncc2CN)C[C@H]1C(=O)N1CCSC1 ZINC001170022235 1202126519 /nfs/dbraw/zinc/12/65/19/1202126519.db2.gz OQNIOPFUUHDLOZ-YPMHNXCESA-N 0 3 382.490 0.820 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn(CC(C)C)c1=O)C2 ZINC001109804235 1202127608 /nfs/dbraw/zinc/12/76/08/1202127608.db2.gz HUDHGLCTYNQVNG-LMSBXDPUSA-N 0 3 377.485 0.847 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccnn1Cc1ccccn1 ZINC000746407277 1202127776 /nfs/dbraw/zinc/12/77/76/1202127776.db2.gz QQAYNLKMQJTNLT-HZPDHXFCSA-N 0 3 384.440 0.244 20 0 GCADHN CCN(CC)CC(=O)N1CCN(Cn2nnc3sc(C)c(C)c3c2=O)CC1 ZINC000771167200 1202128379 /nfs/dbraw/zinc/12/83/79/1202128379.db2.gz CPMWTEZRCGGZRC-UHFFFAOYSA-N 0 3 392.529 0.913 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000771291715 1202131587 /nfs/dbraw/zinc/13/15/87/1202131587.db2.gz WYMXDYZHPVWBEM-UHFFFAOYSA-N 0 3 386.504 0.878 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001109833621 1202131921 /nfs/dbraw/zinc/13/19/21/1202131921.db2.gz MINLZFXKCLQERY-NCOADZHNSA-N 0 3 377.489 0.128 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ncccn1)C2 ZINC001109873456 1202139654 /nfs/dbraw/zinc/13/96/54/1202139654.db2.gz VNFOXNSOPWGMET-QZWWFDLISA-N 0 3 378.473 0.155 20 0 GCADHN CCCCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(CC)CC)C2 ZINC001109868410 1202140670 /nfs/dbraw/zinc/14/06/70/1202140670.db2.gz PEZUBSMJYVSQCQ-PMPSAXMXSA-N 0 3 381.521 0.676 20 0 GCADHN NC(=O)c1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@H]2CCOC2)c1 ZINC001109886969 1202143776 /nfs/dbraw/zinc/14/37/76/1202143776.db2.gz JHGVVSAMVSMSOF-AESZEHBQSA-N 0 3 376.457 0.644 20 0 GCADHN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771583861 1202148422 /nfs/dbraw/zinc/14/84/22/1202148422.db2.gz VSGLUDJIFVKLMY-CQSZACIVSA-N 0 3 393.465 0.201 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000771657538 1202153653 /nfs/dbraw/zinc/15/36/53/1202153653.db2.gz NUQOXXNXBSYEAM-CZUORRHYSA-N 0 3 391.438 0.702 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC000771655672 1202153747 /nfs/dbraw/zinc/15/37/47/1202153747.db2.gz CDLNRGHVUQGMHV-OAHLLOKOSA-N 0 3 384.521 0.765 20 0 GCADHN CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCC(=O)NC1=O)C2 ZINC001109938227 1202156400 /nfs/dbraw/zinc/15/64/00/1202156400.db2.gz UMRJPCWLKFRSMF-PMPSAXMXSA-N 0 3 380.489 0.713 20 0 GCADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001109953710 1202157947 /nfs/dbraw/zinc/15/79/47/1202157947.db2.gz XAOVDZHOCNJFTP-RHYQMDGZSA-N 0 3 377.367 0.009 20 0 GCADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(F)(F)F ZINC001109953710 1202157949 /nfs/dbraw/zinc/15/79/49/1202157949.db2.gz XAOVDZHOCNJFTP-RHYQMDGZSA-N 0 3 377.367 0.009 20 0 GCADHN CCn1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)COCCOC)cn1 ZINC001109962483 1202160957 /nfs/dbraw/zinc/16/09/57/1202160957.db2.gz YPYOHMHVRQERQG-OWSLCNJRSA-N 0 3 380.489 0.191 20 0 GCADHN Cn1ccnc1[C@H](O)C1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000771981295 1202170519 /nfs/dbraw/zinc/17/05/19/1202170519.db2.gz UZTBIZGGIFZAKL-IXDOHACOSA-N 0 3 377.489 0.738 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(NC(C)=O)c1)C2 ZINC001110010911 1202173739 /nfs/dbraw/zinc/17/37/39/1202173739.db2.gz NOTPWTZKGOQVKO-YRXWBPOGSA-N 0 3 375.469 0.916 20 0 GCADHN CCCCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CCC)C2 ZINC001110022429 1202175760 /nfs/dbraw/zinc/17/57/60/1202175760.db2.gz XLSIRNHNRRUDEP-PMPSAXMXSA-N 0 3 381.521 0.676 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NCCCOCC ZINC001110021888 1202175875 /nfs/dbraw/zinc/17/58/75/1202175875.db2.gz MAHKTIKINIDFAE-BDXSIMOUSA-N 0 3 382.549 0.981 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CC[C@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000772217905 1202176680 /nfs/dbraw/zinc/17/66/80/1202176680.db2.gz FTTLUOAALKPZAR-KRWDZBQOSA-N 0 3 395.529 0.130 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000787673019 1205396918 /nfs/dbraw/zinc/39/69/18/1205396918.db2.gz XJTSAZWJXOEQIF-LSDHHAIUSA-N 0 3 382.505 0.818 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)CC1 ZINC000787651408 1205397394 /nfs/dbraw/zinc/39/73/94/1205397394.db2.gz KULAYOKNNGDXSX-UHFFFAOYSA-N 0 3 395.573 0.860 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000787668918 1205398184 /nfs/dbraw/zinc/39/81/84/1205398184.db2.gz IMYGWZLGAQNXCI-CABCVRRESA-N 0 3 382.505 0.960 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000787663944 1205398393 /nfs/dbraw/zinc/39/83/93/1205398393.db2.gz JOPGUMZYIXYQKF-UHFFFAOYSA-N 0 3 382.505 0.818 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000787671784 1205398789 /nfs/dbraw/zinc/39/87/89/1205398789.db2.gz RECHVDNANASUOT-STQMWFEESA-N 0 3 392.422 0.456 20 0 GCADHN O=C(NCCCN1CCc2ccccc21)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000787687049 1205399023 /nfs/dbraw/zinc/39/90/23/1205399023.db2.gz IOTVICLWSXOFND-QZTJIDSGSA-N 0 3 386.496 0.535 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000787750403 1205399882 /nfs/dbraw/zinc/39/98/82/1205399882.db2.gz HJIZOJYCDRTWCQ-AWEZNQCLSA-N 0 3 382.505 0.960 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)c1 ZINC000787851159 1205404934 /nfs/dbraw/zinc/40/49/34/1205404934.db2.gz KBILXCXAEQQSCM-AWEZNQCLSA-N 0 3 396.513 0.202 20 0 GCADHN COCN1C(=O)CCc2cc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)ccc21 ZINC000787945551 1205408912 /nfs/dbraw/zinc/40/89/12/1205408912.db2.gz LTGMCFQBWGAEST-HNNXBMFYSA-N 0 3 388.468 0.918 20 0 GCADHN C[C@H](Cc1ccco1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000787978252 1205411905 /nfs/dbraw/zinc/41/19/05/1205411905.db2.gz XLVIDZGCMIUDOE-ZBFHGGJFSA-N 0 3 376.457 0.092 20 0 GCADHN C[C@H]1C(=O)NCCCN1CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000788043694 1205412409 /nfs/dbraw/zinc/41/24/09/1205412409.db2.gz HAIRJQUJMTZJGM-HRAATJIYSA-N 0 3 399.495 0.741 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1C ZINC000788034578 1205412499 /nfs/dbraw/zinc/41/24/99/1205412499.db2.gz LZNJCGBODXNQEJ-QZTJIDSGSA-N 0 3 388.512 0.917 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)NC(=O)OC(C)(C)C ZINC000788242569 1205416958 /nfs/dbraw/zinc/41/69/58/1205416958.db2.gz JQFRLYBKXDZCAL-YVEFUNNKSA-N 0 3 388.534 0.569 20 0 GCADHN CC1CCC2(CC1)OC[C@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)O2 ZINC000788255740 1205417360 /nfs/dbraw/zinc/41/73/60/1205417360.db2.gz VGLZMWMRCVTAQZ-CUCAAIEXSA-N 0 3 399.557 0.978 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H](c3nccn3C)C2)CCSC1 ZINC000788245324 1205417528 /nfs/dbraw/zinc/41/75/28/1205417528.db2.gz PSWMOPSNLYYODB-KBXCAEBGSA-N 0 3 379.530 0.680 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788543825 1205425068 /nfs/dbraw/zinc/42/50/68/1205425068.db2.gz YWTJHZWXXBILAP-UHFFFAOYSA-N 0 3 396.435 0.122 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@@H](O)C[C@@H]3C(=O)OC)cc2)CC1 ZINC000788602573 1205426374 /nfs/dbraw/zinc/42/63/74/1205426374.db2.gz QZPBHBMWXMNGBS-ZWKOTPCHSA-N 0 3 390.484 0.375 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)N1CCCCC1 ZINC000788786075 1205430676 /nfs/dbraw/zinc/43/06/76/1205430676.db2.gz VRIITNMSUXZQRC-ZIAGYGMSSA-N 0 3 378.439 0.977 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)noc1C)C2 ZINC001110087140 1205430986 /nfs/dbraw/zinc/43/09/86/1205430986.db2.gz HSHHQXDRCGBXDQ-LMSBXDPUSA-N 0 3 381.473 0.579 20 0 GCADHN COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000789061573 1205434518 /nfs/dbraw/zinc/43/45/18/1205434518.db2.gz LWWULTOYDMNXLL-NWANDNLSSA-N 0 3 379.432 0.991 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)n[nH]c1C)C2 ZINC001110087791 1205436980 /nfs/dbraw/zinc/43/69/80/1205436980.db2.gz GSYASBKFLFZFRV-NJAFHUGGSA-N 0 3 377.489 0.443 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1C ZINC000746799782 1205438518 /nfs/dbraw/zinc/43/85/18/1205438518.db2.gz GOAXBPGHWPHHME-CABCVRRESA-N 0 3 375.425 0.700 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1C ZINC000746799784 1205438669 /nfs/dbraw/zinc/43/86/69/1205438669.db2.gz GOAXBPGHWPHHME-HUUCEWRRSA-N 0 3 375.425 0.700 20 0 GCADHN CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000789618838 1205444016 /nfs/dbraw/zinc/44/40/16/1205444016.db2.gz KGNQGQOMWJZQHG-OAHLLOKOSA-N 0 3 389.500 0.750 20 0 GCADHN COc1ccc(CCS(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000790035270 1205454434 /nfs/dbraw/zinc/45/44/34/1205454434.db2.gz SHGKTIBXYAUQMZ-SFHVURJKSA-N 0 3 395.525 0.806 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000790185369 1205458380 /nfs/dbraw/zinc/45/83/80/1205458380.db2.gz RCVHJGIQQMMNAV-LSDHHAIUSA-N 0 3 399.536 0.016 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)COc1ccccc1)CN1CCN(C)CC1 ZINC000790193914 1205458406 /nfs/dbraw/zinc/45/84/06/1205458406.db2.gz CTGIKHLOCZPEJN-IRXDYDNUSA-N 0 3 376.501 0.570 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000790975227 1205473082 /nfs/dbraw/zinc/47/30/82/1205473082.db2.gz NKIAHXRCRXUSPZ-CYBMUJFWSA-N 0 3 399.517 0.103 20 0 GCADHN CN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@@H]1CCCN(C)C1 ZINC000791370535 1205476311 /nfs/dbraw/zinc/47/63/11/1205476311.db2.gz GPPKCIUPCRDCFY-IUODEOHRSA-N 0 3 380.876 0.866 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCC[S@@](C)=O)cc(N2CCN(C(C)C)CC2)c1 ZINC000792230130 1205484916 /nfs/dbraw/zinc/48/49/16/1205484916.db2.gz VEMHCSZYDMAJOF-HHHXNRCGSA-N 0 3 394.541 0.959 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)cc2)CC1 ZINC000792443672 1205487491 /nfs/dbraw/zinc/48/74/91/1205487491.db2.gz UXPPCVUSRYXRGU-AWEZNQCLSA-N 0 3 375.473 0.360 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000793629457 1205501293 /nfs/dbraw/zinc/50/12/93/1205501293.db2.gz AAADWFWPRGRJNB-HNNXBMFYSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@H](O)c1ccc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000793637635 1205501463 /nfs/dbraw/zinc/50/14/63/1205501463.db2.gz ZMDVCCAWBBAVEP-INIZCTEOSA-N 0 3 376.501 0.452 20 0 GCADHN C[C@@H](COc1ccccc1)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000793689112 1205502800 /nfs/dbraw/zinc/50/28/00/1205502800.db2.gz XZVCSPANPGEKQG-INIZCTEOSA-N 0 3 376.501 0.712 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)N1CCCCC1 ZINC000793711953 1205503060 /nfs/dbraw/zinc/50/30/60/1205503060.db2.gz ZKCUIMQAQKOSNQ-OAHLLOKOSA-N 0 3 381.521 0.629 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2F)CC1)N1CCCCC1 ZINC000793713948 1205503121 /nfs/dbraw/zinc/50/31/21/1205503121.db2.gz QCFTYUQNDARQNE-OAHLLOKOSA-N 0 3 377.464 0.860 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C)N1CCCCC1 ZINC000793721075 1205503543 /nfs/dbraw/zinc/50/35/43/1205503543.db2.gz SNQXAFAYBFBPSS-DLBZAZTESA-N 0 3 380.533 0.689 20 0 GCADHN O=C(NCc1ccccc1-n1ccnc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793715993 1205503561 /nfs/dbraw/zinc/50/35/61/1205503561.db2.gz BSIJCSPPQQRARF-SJORKVTESA-N 0 3 383.452 0.468 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793698481 1205504070 /nfs/dbraw/zinc/50/40/70/1205504070.db2.gz JRVRBLWLZQABBG-STQMWFEESA-N 0 3 392.422 0.647 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@@H](C)N3CCCCC3)CC2)oc1C ZINC000793696140 1205504072 /nfs/dbraw/zinc/50/40/72/1205504072.db2.gz FQNDQPATJVOUPP-OAHLLOKOSA-N 0 3 391.516 0.926 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)N1CCCCC1 ZINC000793706325 1205504707 /nfs/dbraw/zinc/50/47/07/1205504707.db2.gz GKCMUVNZWPEATF-KZNAEPCWSA-N 0 3 380.533 0.737 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1)N1CCCCC1 ZINC000793707260 1205504737 /nfs/dbraw/zinc/50/47/37/1205504737.db2.gz GHIPCGHFEJKLAH-NVXWUHKLSA-N 0 3 391.516 0.683 20 0 GCADHN Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000793760302 1205504930 /nfs/dbraw/zinc/50/49/30/1205504930.db2.gz FDHLEGCQBKRGIM-LZLYRXPVSA-N 0 3 375.469 0.858 20 0 GCADHN Cc1cccc(OC[C@H](C)NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000793800983 1205506397 /nfs/dbraw/zinc/50/63/97/1205506397.db2.gz QSGIEQIUCRVHDS-BQFCYCMXSA-N 0 3 375.469 0.858 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000793814936 1205507485 /nfs/dbraw/zinc/50/74/85/1205507485.db2.gz BZLXBFCYUCDSGF-CYBMUJFWSA-N 0 3 386.493 0.243 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000793818154 1205507550 /nfs/dbraw/zinc/50/75/50/1205507550.db2.gz UOQOHLIJEFKTMS-AWEZNQCLSA-N 0 3 398.504 0.197 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NCC[S@](=O)Cc2ccccc2)CC1 ZINC000793816915 1205507611 /nfs/dbraw/zinc/50/76/11/1205507611.db2.gz NJOVLEFJBVZHET-MHZLTWQESA-N 0 3 395.525 0.279 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(OC)c1 ZINC000793865431 1205508039 /nfs/dbraw/zinc/50/80/39/1205508039.db2.gz SPAVMYFINBGJAM-NVXWUHKLSA-N 0 3 391.468 0.342 20 0 GCADHN COc1ccc(OCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000793863154 1205508088 /nfs/dbraw/zinc/50/80/88/1205508088.db2.gz CFWRAQREDOMHJY-QAPCUYQASA-N 0 3 391.468 0.560 20 0 GCADHN Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000793866017 1205508198 /nfs/dbraw/zinc/50/81/98/1205508198.db2.gz NDTRIFIGXYNZEN-LSDHHAIUSA-N 0 3 392.525 0.999 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000793901943 1205508720 /nfs/dbraw/zinc/50/87/20/1205508720.db2.gz PARPEKGIEQJPSO-ZIAGYGMSSA-N 0 3 382.505 0.959 20 0 GCADHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000793936487 1205510006 /nfs/dbraw/zinc/51/00/06/1205510006.db2.gz KKWDIOVQSYKBMR-ZIAGYGMSSA-N 0 3 382.505 0.959 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)COCc1ccccc1 ZINC000793954553 1205510311 /nfs/dbraw/zinc/51/03/11/1205510311.db2.gz HVGDWUDPMMTRCA-NZSAHSFTSA-N 0 3 389.496 0.935 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)COCc1ccccc1 ZINC000793954549 1205510395 /nfs/dbraw/zinc/51/03/95/1205510395.db2.gz HVGDWUDPMMTRCA-BHIYHBOVSA-N 0 3 389.496 0.935 20 0 GCADHN CN(CCNC(=O)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000793936674 1205510510 /nfs/dbraw/zinc/51/05/10/1205510510.db2.gz MFRGVOZTSKYRBP-AWEZNQCLSA-N 0 3 382.505 0.960 20 0 GCADHN O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001110101811 1205512022 /nfs/dbraw/zinc/51/20/22/1205512022.db2.gz GRAFTAOVKOUWBP-NEPXVJNWSA-N 0 3 381.517 0.360 20 0 GCADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CCCC3)CC2)c(S(N)(=O)=O)c1 ZINC000804430232 1205515487 /nfs/dbraw/zinc/51/54/87/1205515487.db2.gz YIWLUCOCQDEQJU-UHFFFAOYSA-N 0 3 394.497 0.281 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000804424206 1205515593 /nfs/dbraw/zinc/51/55/93/1205515593.db2.gz HDLUJGFMEGARPQ-STQMWFEESA-N 0 3 392.422 0.599 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000804424610 1205515630 /nfs/dbraw/zinc/51/56/30/1205515630.db2.gz MGHJHLAJPOXJTR-HNNXBMFYSA-N 0 3 382.505 0.960 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000804451388 1205516327 /nfs/dbraw/zinc/51/63/27/1205516327.db2.gz IDGIUSRLECRCGS-SNVBAGLBSA-N 0 3 391.398 0.696 20 0 GCADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@H]1n1ccnn1 ZINC001129858038 1205521286 /nfs/dbraw/zinc/52/12/86/1205521286.db2.gz MFZZURPTASABSB-ZRSRNVLSSA-N 0 3 389.500 0.885 20 0 GCADHN CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000804750916 1205523319 /nfs/dbraw/zinc/52/33/19/1205523319.db2.gz OASKGNIWVSHFAC-OAHLLOKOSA-N 0 3 380.489 0.809 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000804731633 1205523993 /nfs/dbraw/zinc/52/39/93/1205523993.db2.gz OTMHKHZRLBFSQG-RBUKOAKNSA-N 0 3 398.507 0.894 20 0 GCADHN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804732373 1205524058 /nfs/dbraw/zinc/52/40/58/1205524058.db2.gz MIABBXYDEAIJRC-HZPDHXFCSA-N 0 3 394.516 0.960 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804732384 1205524081 /nfs/dbraw/zinc/52/40/81/1205524081.db2.gz MLSJCSNLDRIYIS-ZFWWWQNUSA-N 0 3 382.505 0.864 20 0 GCADHN CN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000804732108 1205524123 /nfs/dbraw/zinc/52/41/23/1205524123.db2.gz CPEXWFWYOUNHTK-CHWSQXEVSA-N 0 3 390.406 0.209 20 0 GCADHN CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000804732878 1205524319 /nfs/dbraw/zinc/52/43/19/1205524319.db2.gz ZPFIQLPVLBQWTN-PBHICJAKSA-N 0 3 394.516 0.960 20 0 GCADHN O=C(NCc1ccc(N2CCOC2=O)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804731741 1205524422 /nfs/dbraw/zinc/52/44/22/1205524422.db2.gz SNOAINVGYKJEEA-INIZCTEOSA-N 0 3 386.452 0.860 20 0 GCADHN CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000804732880 1205524550 /nfs/dbraw/zinc/52/45/50/1205524550.db2.gz ZPFIQLPVLBQWTN-WMLDXEAASA-N 0 3 394.516 0.960 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129900008 1205524726 /nfs/dbraw/zinc/52/47/26/1205524726.db2.gz WRSVXSXMXXTTPE-NCOADZHNSA-N 0 3 381.477 0.098 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NCCOCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130012034 1205528379 /nfs/dbraw/zinc/52/83/79/1205528379.db2.gz KWGVHVNFLWHJDC-MQYQWHSLSA-N 0 3 391.394 0.624 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCCNC(=O)NC(C)C)[C@@H](n2ccnn2)C1 ZINC001130012060 1205528583 /nfs/dbraw/zinc/52/85/83/1205528583.db2.gz MLSOREXIIVJPPT-FPCVCCKLSA-N 0 3 377.493 0.373 20 0 GCADHN O=C(NCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H]1n1ccnn1)C1CC1 ZINC001130034419 1205529792 /nfs/dbraw/zinc/52/97/92/1205529792.db2.gz OLLRPWBWPZKRCN-MLHJIOFPSA-N 0 3 386.500 0.582 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)c1ncccn1)C(=O)c1ncccn1 ZINC000805200759 1205532733 /nfs/dbraw/zinc/53/27/33/1205532733.db2.gz IZKDKKSRGNLVNX-UHFFFAOYSA-N 0 3 383.456 0.577 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000747231933 1205532900 /nfs/dbraw/zinc/53/29/00/1205532900.db2.gz OXOYAEVHHFLJCJ-SJORKVTESA-N 0 3 381.498 0.371 20 0 GCADHN C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000805196144 1205533380 /nfs/dbraw/zinc/53/33/80/1205533380.db2.gz OJAYGUBMZRCAOP-KKSFZXQISA-N 0 3 386.496 0.846 20 0 GCADHN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000805196143 1205533384 /nfs/dbraw/zinc/53/33/84/1205533384.db2.gz OJAYGUBMZRCAOP-IIBYNOLFSA-N 0 3 386.496 0.846 20 0 GCADHN CCCNC(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000805416879 1205536163 /nfs/dbraw/zinc/53/61/63/1205536163.db2.gz BVLPAQTWUVJTQN-JKSUJKDBSA-N 0 3 382.505 0.914 20 0 GCADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)[n-]1 ZINC001130223576 1205538320 /nfs/dbraw/zinc/53/83/20/1205538320.db2.gz XQVLDEHIEOSUEL-DGAVXFQQSA-N 0 3 392.504 0.311 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC(C)C)[n-]1 ZINC001130237975 1205539226 /nfs/dbraw/zinc/53/92/26/1205539226.db2.gz NCPWVDQJUCGLEZ-BARDWOONSA-N 0 3 392.504 0.454 20 0 GCADHN CN(C)C(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CC2)[n-]1 ZINC001130242439 1205539400 /nfs/dbraw/zinc/53/94/00/1205539400.db2.gz XAKHHVZSBDPTLB-XQLPTFJDSA-N 0 3 390.488 0.017 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@H](CCNC(C)=O)C2)CC1 ZINC000805825542 1205544839 /nfs/dbraw/zinc/54/48/39/1205544839.db2.gz XZJUXVNXARABHM-NVXWUHKLSA-N 0 3 382.505 0.914 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H](CCNC(C)=O)C2)CC1 ZINC000805825541 1205544924 /nfs/dbraw/zinc/54/49/24/1205544924.db2.gz XZJUXVNXARABHM-DOTOQJQBSA-N 0 3 382.505 0.914 20 0 GCADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000806240234 1205552620 /nfs/dbraw/zinc/55/26/20/1205552620.db2.gz VDTJURXWWYBWFB-YJBOKZPZSA-N 0 3 389.500 0.848 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000806327266 1205554220 /nfs/dbraw/zinc/55/42/20/1205554220.db2.gz GRXYIQOGCCOJFN-DLBZAZTESA-N 0 3 391.516 0.683 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCCC2(C)OCCO2)CC1 ZINC000806377080 1205555073 /nfs/dbraw/zinc/55/50/73/1205555073.db2.gz GAKPVJNGERCAIJ-HNNXBMFYSA-N 0 3 390.484 0.993 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCC1(C)OCCO1 ZINC000806378349 1205555299 /nfs/dbraw/zinc/55/52/99/1205555299.db2.gz WOFGVOZWLJUHEC-UHFFFAOYSA-N 0 3 381.448 0.985 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCCNC(=O)C2CC2)C1 ZINC001130677650 1205559861 /nfs/dbraw/zinc/55/98/61/1205559861.db2.gz CRPNMPHPRVXZQZ-SIUPPRGNSA-N 0 3 389.500 0.255 20 0 GCADHN C[C@@H](NC(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000806643729 1205561371 /nfs/dbraw/zinc/56/13/71/1205561371.db2.gz KBJROZQVOUVSSI-WBVHZDCISA-N 0 3 398.529 0.639 20 0 GCADHN C[C@@H](NC(=O)NCCS(=O)(=O)N1CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000806643727 1205561477 /nfs/dbraw/zinc/56/14/77/1205561477.db2.gz KBJROZQVOUVSSI-NVXWUHKLSA-N 0 3 398.529 0.639 20 0 GCADHN C[C@H](NC(=O)NCCS(=O)(=O)N1CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000806643726 1205561515 /nfs/dbraw/zinc/56/15/15/1205561515.db2.gz KBJROZQVOUVSSI-DOTOQJQBSA-N 0 3 398.529 0.639 20 0 GCADHN Cn1ccnc1[C@](O)(CC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(F)(F)F ZINC000747343765 1205561522 /nfs/dbraw/zinc/56/15/22/1205561522.db2.gz SRJGAWRGWKZWQW-SLEUVZQESA-N 0 3 376.379 0.540 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 ZINC000806704133 1205563574 /nfs/dbraw/zinc/56/35/74/1205563574.db2.gz PRVPKEMLJMAXDG-KOHRHEQBSA-N 0 3 385.505 0.509 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 ZINC000806705677 1205563883 /nfs/dbraw/zinc/56/38/83/1205563883.db2.gz ACQKATHRCYADFM-KOHRHEQBSA-N 0 3 385.505 0.461 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000747344754 1205565980 /nfs/dbraw/zinc/56/59/80/1205565980.db2.gz XOUVPIXJBSKYFF-IAGOWNOFSA-N 0 3 395.525 0.951 20 0 GCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)c1 ZINC000806856696 1205568450 /nfs/dbraw/zinc/56/84/50/1205568450.db2.gz IZPIWIUNNUHZLM-HNNXBMFYSA-N 0 3 390.484 0.992 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)ccc1F ZINC000806918473 1205569111 /nfs/dbraw/zinc/56/91/11/1205569111.db2.gz AOVHQVAMVMRPFU-NSHDSACASA-N 0 3 386.449 0.273 20 0 GCADHN COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000806918729 1205569158 /nfs/dbraw/zinc/56/91/58/1205569158.db2.gz GXPKARDUORUBBG-ZDUSSCGKSA-N 0 3 397.497 0.779 20 0 GCADHN CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000806902643 1205569708 /nfs/dbraw/zinc/56/97/08/1205569708.db2.gz AMJHOVYROAWNND-IRXDYDNUSA-N 0 3 388.468 0.696 20 0 GCADHN CCOC(=O)C1=C(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCNC1 ZINC001170516782 1205574090 /nfs/dbraw/zinc/57/40/90/1205574090.db2.gz FZZCIUYPRDIQFQ-UHFFFAOYSA-N 0 3 395.481 0.930 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000807086302 1205575314 /nfs/dbraw/zinc/57/53/14/1205575314.db2.gz WWQXGQKOTPVNCC-CHWSQXEVSA-N 0 3 390.406 0.305 20 0 GCADHN COCCN1C(=O)c2ccc(C(=O)N(CCN(C)C)C3CC3)cc2S1(=O)=O ZINC000807266245 1205578157 /nfs/dbraw/zinc/57/81/57/1205578157.db2.gz UYMUGEGLHDSIKZ-UHFFFAOYSA-N 0 3 395.481 0.644 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000807547738 1205584288 /nfs/dbraw/zinc/58/42/88/1205584288.db2.gz LWAZNEABXYKIOE-HNNXBMFYSA-N 0 3 387.484 0.491 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2c(C)cccc2F)CC1 ZINC000807519395 1205584564 /nfs/dbraw/zinc/58/45/64/1205584564.db2.gz GOBRVMOKYSQVSS-UHFFFAOYSA-N 0 3 392.475 0.763 20 0 GCADHN CS[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000807756933 1205589558 /nfs/dbraw/zinc/58/95/58/1205589558.db2.gz CXROZGGIKJHIQS-RRFJBIMHSA-N 0 3 382.530 0.152 20 0 GCADHN CS[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000807756934 1205589573 /nfs/dbraw/zinc/58/95/73/1205589573.db2.gz CXROZGGIKJHIQS-ZNMIVQPWSA-N 0 3 382.530 0.152 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000807828668 1205591877 /nfs/dbraw/zinc/59/18/77/1205591877.db2.gz BQTFMBNEVPCODP-GDBMZVCRSA-N 0 3 380.489 0.666 20 0 GCADHN CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000807828350 1205591993 /nfs/dbraw/zinc/59/19/93/1205591993.db2.gz MLXLCCNOQIEEIA-OAHLLOKOSA-N 0 3 382.505 0.914 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000807835386 1205593015 /nfs/dbraw/zinc/59/30/15/1205593015.db2.gz WZGQTVVDXQGIMR-ZIAGYGMSSA-N 0 3 380.489 0.736 20 0 GCADHN O=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000808157076 1205600726 /nfs/dbraw/zinc/60/07/26/1205600726.db2.gz SHHZBWYYMGQELO-IAGOWNOFSA-N 0 3 388.443 0.972 20 0 GCADHN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000808156105 1205600810 /nfs/dbraw/zinc/60/08/10/1205600810.db2.gz ACGCSINYPAMHMF-ZOCZFRKYSA-N 0 3 398.463 0.047 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000808175303 1205601080 /nfs/dbraw/zinc/60/10/80/1205601080.db2.gz ZPMSVDQLJXGJQW-IKGGRYGDSA-N 0 3 386.452 0.617 20 0 GCADHN Cn1cc([C@H]2N(CN3CCN(C(=O)CN4CCCC4)CC3)C(=O)C2(C)C)cn1 ZINC000808161335 1205601122 /nfs/dbraw/zinc/60/11/22/1205601122.db2.gz TUJXDHWHEZUWRU-GOSISDBHSA-N 0 3 388.516 0.527 20 0 GCADHN CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(CC(C)(C)O)[C@H](C)C2)C1=O ZINC000808181008 1205601340 /nfs/dbraw/zinc/60/13/40/1205601340.db2.gz UMRBTANXMUZWMS-KUHUBIRLSA-N 0 3 398.504 0.375 20 0 GCADHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000808215478 1205602579 /nfs/dbraw/zinc/60/25/79/1205602579.db2.gz BNMKICAPQISPPN-OALUTQOASA-N 0 3 398.507 0.991 20 0 GCADHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000808215475 1205602605 /nfs/dbraw/zinc/60/26/05/1205602605.db2.gz BNMKICAPQISPPN-MOPGFXCFSA-N 0 3 398.507 0.991 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000808223563 1205602993 /nfs/dbraw/zinc/60/29/93/1205602993.db2.gz NNIXQZSRNSPYCY-UAGQMJEPSA-N 0 3 395.500 0.541 20 0 GCADHN O=C1C(=O)N(CN2CCN(C3CCOCC3)CC2)C(=O)N1Cc1cccs1 ZINC000747472439 1205604202 /nfs/dbraw/zinc/60/42/02/1205604202.db2.gz XYURSEACUZXMLA-UHFFFAOYSA-N 0 3 392.481 0.793 20 0 GCADHN C[C@H](Nc1cc(Oc2ccc(S(N)(=O)=O)cc2)ncn1)[C@@H]1CNCCO1 ZINC001170561408 1205612067 /nfs/dbraw/zinc/61/20/67/1205612067.db2.gz FAJABFBQVUKJKG-FZMZJTMJSA-N 0 3 379.442 0.705 20 0 GCADHN O=C(CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1)NCC1CC1 ZINC001131502918 1205613316 /nfs/dbraw/zinc/61/33/16/1205613316.db2.gz NEZWZJIMSDSXRI-NZGUISNBSA-N 0 3 391.512 0.535 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(C3CCOCC3)CC2)CC1 ZINC000747534146 1205613565 /nfs/dbraw/zinc/61/35/65/1205613565.db2.gz NBVDONJFPUJFNQ-MRXNPFEDSA-N 0 3 382.505 0.472 20 0 GCADHN CCCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001131503331 1205613583 /nfs/dbraw/zinc/61/35/83/1205613583.db2.gz YTLDGFNHTMRGDE-WQDJSCAQSA-N 0 3 379.501 0.535 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC000808934216 1205614685 /nfs/dbraw/zinc/61/46/85/1205614685.db2.gz WOLQXGCDMHKOCG-LSDHHAIUSA-N 0 3 387.484 0.412 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC1(c2ccccc2)CC1 ZINC001131524814 1205617022 /nfs/dbraw/zinc/61/70/22/1205617022.db2.gz SBQJJVGYXJXUSL-GJNTUIEKSA-N 0 3 383.492 0.964 20 0 GCADHN C[C@H](Nc1ccccc1-c1cn(S(=O)(=O)N(C)C)cn1)[C@H]1CNCCO1 ZINC001170571715 1205619423 /nfs/dbraw/zinc/61/94/23/1205619423.db2.gz NVJLJENGUZXXPU-SUMWQHHRSA-N 0 3 379.486 0.993 20 0 GCADHN CN(C)C(=O)c1ccc(CNCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1 ZINC001131644704 1205621710 /nfs/dbraw/zinc/62/17/10/1205621710.db2.gz CSEKUFZOORTVGD-OKZBNKHCSA-N 0 3 375.469 0.646 20 0 GCADHN CN(CC1CCCCC1)C(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131644913 1205621899 /nfs/dbraw/zinc/62/18/99/1205621899.db2.gz MTXBPAXRNAPDJB-JENIJYKNSA-N 0 3 381.517 0.782 20 0 GCADHN C[C@H](NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)N(C)C1CCCCC1 ZINC001131648176 1205622673 /nfs/dbraw/zinc/62/26/73/1205622673.db2.gz OICYCNLXAFAJKW-UOVPBQLFSA-N 0 3 381.517 0.923 20 0 GCADHN C[C@H](O)c1ncc(CNCCC(=O)N2CCN(c3ncccn3)CC2)s1 ZINC000809612813 1205627471 /nfs/dbraw/zinc/62/74/71/1205627471.db2.gz BEBZDWAKUDMTQZ-ZDUSSCGKSA-N 0 3 376.486 0.815 20 0 GCADHN CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000747580990 1205631485 /nfs/dbraw/zinc/63/14/85/1205631485.db2.gz LHTANDANRGPUCE-DLBZAZTESA-N 0 3 398.529 0.108 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809955225 1205632028 /nfs/dbraw/zinc/63/20/28/1205632028.db2.gz STFFVZVDCLLHRH-DNVCBOLYSA-N 0 3 384.521 0.501 20 0 GCADHN CN(C[C@H]1CCCN(C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000810016215 1205632848 /nfs/dbraw/zinc/63/28/48/1205632848.db2.gz XDFKBIFQHVQXFI-PBHICJAKSA-N 0 3 393.550 0.866 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)NCCS(=O)(=O)N(C)C)cc2)CC1 ZINC000810149069 1205634725 /nfs/dbraw/zinc/63/47/25/1205634725.db2.gz WPNMJEDERQIEFF-UHFFFAOYSA-N 0 3 383.518 0.841 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000810269302 1205635230 /nfs/dbraw/zinc/63/52/30/1205635230.db2.gz DWADIPKAICCFTI-BRWVUGGUSA-N 0 3 377.489 0.463 20 0 GCADHN C[C@@H](NCCS(=O)(=O)N(C)C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000810261447 1205635275 /nfs/dbraw/zinc/63/52/75/1205635275.db2.gz DCSIUEDHJLKYGI-WBVHZDCISA-N 0 3 399.513 0.894 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)Nc2cccc3c2OCC(=O)N3)CC1 ZINC000810256502 1205635429 /nfs/dbraw/zinc/63/54/29/1205635429.db2.gz AXOXLSGVNDAKRR-UHFFFAOYSA-N 0 3 387.440 0.789 20 0 GCADHN Cn1nncc1NC(=O)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000810353081 1205636183 /nfs/dbraw/zinc/63/61/83/1205636183.db2.gz ULFXZIHELUCBNN-UHFFFAOYSA-N 0 3 399.499 0.468 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@]3(C)CCOC3=O)c2)CC1 ZINC000810479478 1205639049 /nfs/dbraw/zinc/63/90/49/1205639049.db2.gz NOMUJHVIGVOGNW-HXUWFJFHSA-N 0 3 388.468 0.977 20 0 GCADHN COC[C@@]1(CN(C)C)COCCN1C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001132762004 1205650670 /nfs/dbraw/zinc/65/06/70/1205650670.db2.gz UYUIWQSYTNMMRH-UZLBHIALSA-N 0 3 381.517 0.973 20 0 GCADHN CN1C(=O)c2ccc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2C1=O ZINC001132907315 1205654150 /nfs/dbraw/zinc/65/41/50/1205654150.db2.gz KRQUCAVGBIKQMH-UHFFFAOYSA-N 0 3 398.463 0.858 20 0 GCADHN COC(=O)C1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000811863810 1205658476 /nfs/dbraw/zinc/65/84/76/1205658476.db2.gz ZQTAJRAGCAVWMC-UHFFFAOYSA-N 0 3 380.445 0.547 20 0 GCADHN COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC000812110071 1205661045 /nfs/dbraw/zinc/66/10/45/1205661045.db2.gz NMZUZNPXSVAKCT-OAHLLOKOSA-N 0 3 394.520 0.752 20 0 GCADHN COC(=O)c1cccc(OCC(=N)NOCC(=O)N(C)Cc2cnn(C)c2)c1 ZINC000747838128 1205672961 /nfs/dbraw/zinc/67/29/61/1205672961.db2.gz SMBVNFLAQDCNPI-UHFFFAOYSA-N 0 3 389.412 0.743 20 0 GCADHN C[C@@H](c1ccccc1)[C@@H](NC[C@@H](O)CN1C(=O)c2ccccc2C1=O)C(N)=O ZINC001170699330 1205674138 /nfs/dbraw/zinc/67/41/38/1205674138.db2.gz BTDFNWXQZDEVMU-JCKWVBRZSA-N 0 3 381.432 0.891 20 0 GCADHN O=C(CN1c2ccccc2OC(F)(F)C1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000814109253 1205687076 /nfs/dbraw/zinc/68/70/76/1205687076.db2.gz OQIHEPGYCUHNKU-CHWSQXEVSA-N 0 3 381.379 0.984 20 0 GCADHN COc1ccccc1CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134117408 1205687713 /nfs/dbraw/zinc/68/77/13/1205687713.db2.gz MVKXEFLTVIXDIA-IIVZCXTMSA-N 0 3 375.469 0.973 20 0 GCADHN Cc1c(C(=O)OCCCN2CCN(C(C)C)CC2)nnn1-c1ccn(C)n1 ZINC000814576289 1205693964 /nfs/dbraw/zinc/69/39/64/1205693964.db2.gz SRFYHDORWBSBSN-UHFFFAOYSA-N 0 3 375.477 0.882 20 0 GCADHN CNC(=O)Oc1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000815450518 1205704790 /nfs/dbraw/zinc/70/47/90/1205704790.db2.gz FCBXFTBOUSJTRP-MRXNPFEDSA-N 0 3 392.456 0.913 20 0 GCADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171732853 1205709531 /nfs/dbraw/zinc/70/95/31/1205709531.db2.gz LVQLCIPPZPHGHQ-DOTOQJQBSA-N 0 3 390.484 0.035 20 0 GCADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001171732857 1205709540 /nfs/dbraw/zinc/70/95/40/1205709540.db2.gz LVQLCIPPZPHGHQ-RDJZCZTQSA-N 0 3 390.484 0.035 20 0 GCADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001171732858 1205709566 /nfs/dbraw/zinc/70/95/66/1205709566.db2.gz LVQLCIPPZPHGHQ-WBVHZDCISA-N 0 3 390.484 0.035 20 0 GCADHN COCCOCCc1nc(C(=O)N2CCC(N3CCN(C)CC3)CC2)c[nH]1 ZINC001171870296 1205710207 /nfs/dbraw/zinc/71/02/07/1205710207.db2.gz QLMAHDAJUKMYQW-UHFFFAOYSA-N 0 3 379.505 0.467 20 0 GCADHN CCOc1ccc([C@H]2CCCN2C(=O)CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001171943882 1205710818 /nfs/dbraw/zinc/71/08/18/1205710818.db2.gz WHIDGCNPJNNMRJ-IXDOHACOSA-N 0 3 388.468 0.267 20 0 GCADHN O=C1C[C@H](NCc2cc(N3CCS(=O)(=O)CC3)ccn2)CCN1C1CC1 ZINC001172002704 1205711038 /nfs/dbraw/zinc/71/10/38/1205711038.db2.gz ATYJKTRHOFKAKN-CQSZACIVSA-N 0 3 378.498 0.559 20 0 GCADHN CN1CCN(C[C@H]2Cn3ccnc3CN([C@H]3CCN(C4CC4)C(=O)C3)C2)CC1 ZINC001172010927 1205711240 /nfs/dbraw/zinc/71/12/40/1205711240.db2.gz ARVLLGPKMICIIA-HKUYNNGSSA-N 0 3 386.544 0.716 20 0 GCADHN CC(C)C(=O)N1CCN([C@@H]2CCN(C3CC3)C(=O)C2)C[C@]2(CCCC(=O)N2)C1 ZINC001172013726 1205711353 /nfs/dbraw/zinc/71/13/53/1205711353.db2.gz JXJSSAJYVIMNEJ-DYESRHJHSA-N 0 3 390.528 0.979 20 0 GCADHN CCN1CC[C@@H](N2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)CC1=O ZINC001172037239 1205712064 /nfs/dbraw/zinc/71/20/64/1205712064.db2.gz OIDAEFXWTUHPOW-AXVVYFOYSA-N 0 3 379.501 0.868 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n(-c2ccc(C)nn2)n1 ZINC000773342611 1205713148 /nfs/dbraw/zinc/71/31/48/1205713148.db2.gz VYYDTPNEWJQWMF-LSDHHAIUSA-N 0 3 399.455 0.197 20 0 GCADHN CC(C)C(=O)N1CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@]2(CCCC(=O)N2)C1 ZINC001172175992 1205714050 /nfs/dbraw/zinc/71/40/50/1205714050.db2.gz FHXBDPPPEYYHEA-CBGDNZLLSA-N 0 3 390.528 0.979 20 0 GCADHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172175893 1205714210 /nfs/dbraw/zinc/71/42/10/1205714210.db2.gz YCJOCPWYAFQAHS-ZIAGYGMSSA-N 0 3 381.502 0.291 20 0 GCADHN COC(=O)[C@H]1C[C@@H](N(C)S(=O)(=O)CCN)C[C@H]1C(=O)OCc1ccccc1 ZINC001172267391 1205714704 /nfs/dbraw/zinc/71/47/04/1205714704.db2.gz FDDAWARJTCAXDF-OWCLPIDISA-N 0 3 398.481 0.518 20 0 GCADHN COC(=O)[C@H]1C[C@H](NC[C@H]2CNC(=O)O2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172269948 1205714819 /nfs/dbraw/zinc/71/48/19/1205714819.db2.gz ZYUPJASPHQNGIV-YHUYYLMFSA-N 0 3 376.409 0.996 20 0 GCADHN CC1(C)C[C@@H](N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CO1 ZINC001172284307 1205715668 /nfs/dbraw/zinc/71/56/68/1205715668.db2.gz ILJAAPFXCBBJLY-KLHDSHLOSA-N 0 3 386.514 0.148 20 0 GCADHN C[C@H](CCc1c(F)cc(Cl)cc1F)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001172575510 1205716098 /nfs/dbraw/zinc/71/60/98/1205716098.db2.gz IXBMOLQKQLJMRW-ZNLRBTMTSA-N 0 3 381.803 0.329 20 0 GCADHN COC(=O)[C@@H]1CCC[C@@H](N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)C1 ZINC001172610879 1205716335 /nfs/dbraw/zinc/71/63/35/1205716335.db2.gz LEHAHFFZQZYYIO-FMKPAKJESA-N 0 3 377.441 0.226 20 0 GCADHN COC(=O)[C@H]1CCC[C@@H](NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001172610230 1205716493 /nfs/dbraw/zinc/71/64/93/1205716493.db2.gz IZEKBDLYWNWYII-LZWOXQAQSA-N 0 3 377.441 0.226 20 0 GCADHN COC(=O)N1CCC(N2Cc3ccnn3C[C@@H](COCC(=O)N(C)C)C2)CC1 ZINC001172740112 1205716888 /nfs/dbraw/zinc/71/68/88/1205716888.db2.gz WJHZFRSDJCRTNH-HNNXBMFYSA-N 0 3 393.488 0.651 20 0 GCADHN COC(=O)N1CCC(N2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)CC1 ZINC001172740117 1205717267 /nfs/dbraw/zinc/71/72/67/1205717267.db2.gz WJXUDBBQRFCBMI-UMVBOHGHSA-N 0 3 380.470 0.803 20 0 GCADHN CC(C)OC(=O)CC[C@@H](C)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172751587 1205717384 /nfs/dbraw/zinc/71/73/84/1205717384.db2.gz XBYPYKXEANGCED-CJNGLKHVSA-N 0 3 379.457 0.615 20 0 GCADHN CO[C@H]1CCC[C@@H](N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001172939464 1205717869 /nfs/dbraw/zinc/71/78/69/1205717869.db2.gz QAAUOSHMCMPCNQ-QZWWFDLISA-N 0 3 396.532 0.541 20 0 GCADHN COc1ccc(CN2CC[C@@H](N[C@@H]3CCS(=O)(=O)C3)CC2=O)c(OC)c1 ZINC001173015384 1205718273 /nfs/dbraw/zinc/71/82/73/1205718273.db2.gz CEXWLPJDYYCMCG-HUUCEWRRSA-N 0 3 382.482 0.972 20 0 GCADHN COc1ccc(CN2CC[C@H](NCCS(=O)(=O)N(C)C)CC2=O)c(OC)c1 ZINC001173020903 1205718378 /nfs/dbraw/zinc/71/83/78/1205718378.db2.gz QICZFWCALXKTOL-HNNXBMFYSA-N 0 3 399.513 0.676 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H]1CCc2ncsc2C1 ZINC001173136572 1205718775 /nfs/dbraw/zinc/71/87/75/1205718775.db2.gz RAHWISHZHKNWSM-BJDJZHNGSA-N 0 3 382.486 0.161 20 0 GCADHN C[C@H](CC(c1ccccc1)c1ccccc1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001173209857 1205719091 /nfs/dbraw/zinc/71/90/91/1205719091.db2.gz GUMDYAGXNVNEQY-QMPDEBIGSA-N 0 3 387.476 0.987 20 0 GCADHN CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@@H](CO)C(N)=O)C[C@H]1C(=O)OC(C)(C)C ZINC001173372593 1205719982 /nfs/dbraw/zinc/71/99/82/1205719982.db2.gz JGSQCBBMHSAVFL-DGAVXFQQSA-N 0 3 386.489 0.891 20 0 GCADHN CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@H](CO)C(N)=O)C[C@H]1C(=O)OC(C)(C)C ZINC001173372595 1205720132 /nfs/dbraw/zinc/72/01/32/1205720132.db2.gz JGSQCBBMHSAVFL-REWJHTLYSA-N 0 3 386.489 0.891 20 0 GCADHN O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-n2cccn2)cc1 ZINC001095154868 1205720686 /nfs/dbraw/zinc/72/06/86/1205720686.db2.gz VORRFYTVFLHJOR-SQNIBIBYSA-N 0 3 378.440 0.781 20 0 GCADHN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC1Cc2cc(F)c(F)cc2C1 ZINC001173479486 1205721007 /nfs/dbraw/zinc/72/10/07/1205721007.db2.gz HWWDYRKNLISCGJ-SFHVURJKSA-N 0 3 389.402 0.940 20 0 GCADHN COC(=O)CCC(=O)CN[C@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173500341 1205721462 /nfs/dbraw/zinc/72/14/62/1205721462.db2.gz GNCSRAYSMHRYIC-RDJZCZTQSA-N 0 3 390.436 0.945 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2CC[C@@](C)(CO)[C@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001173499867 1205721593 /nfs/dbraw/zinc/72/15/93/1205721593.db2.gz VPECZQBCUUPCDX-IIMDRIAPSA-N 0 3 390.480 0.898 20 0 GCADHN COC(=O)[C@@H]1C[C@H]([NH2+]CCCc2c[n-][nH]c2=O)CCN1C(=O)c1ccccc1 ZINC001173489186 1205722320 /nfs/dbraw/zinc/72/23/20/1205722320.db2.gz VCFLGPZPYCXZHD-BBWFWOEESA-N 0 3 386.452 0.934 20 0 GCADHN CC[C@@]1(C(=O)OC)C[C@@H](NS(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001173539373 1205722606 /nfs/dbraw/zinc/72/26/06/1205722606.db2.gz IGVKGFDPODJMNN-ABAIWWIYSA-N 0 3 379.479 0.196 20 0 GCADHN COC(=O)[C@H]1C[C@H](NC2(C(N)=O)CCOCC2)CCN1C(=O)c1ccccc1 ZINC001173514799 1205722783 /nfs/dbraw/zinc/72/27/83/1205722783.db2.gz IVELEXTVISUGHW-HZPDHXFCSA-N 0 3 389.452 0.457 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](NC2(C(N)=O)CCOCC2)CCN1C(=O)c1ccccc1 ZINC001173514797 1205722897 /nfs/dbraw/zinc/72/28/97/1205722897.db2.gz IVELEXTVISUGHW-HOTGVXAUSA-N 0 3 389.452 0.457 20 0 GCADHN CC[C@@]1(C(=O)OC)C[C@@H](NCCN2C(=O)C=CC2=O)CN1C(=O)OC(C)(C)C ZINC001173522459 1205723256 /nfs/dbraw/zinc/72/32/56/1205723256.db2.gz ZCYQXWZWBNBQLR-YJYMSZOUSA-N 0 3 395.456 0.832 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C[C@@H]1C(=O)OC ZINC001173561089 1205723427 /nfs/dbraw/zinc/72/34/27/1205723427.db2.gz DLQCBMLTVSBTRV-RGDJUOJXSA-N 0 3 386.445 0.297 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)C[C@@H]1C(=O)OC ZINC001173574111 1205724391 /nfs/dbraw/zinc/72/43/91/1205724391.db2.gz FFSNAWWGUADZOY-JKJDWNRSSA-N 0 3 390.440 0.107 20 0 GCADHN COC(=O)[C@@H]1C[C@H](n2nc(C(=O)N(C)C)c3c2CCNC3)C[C@@H]1C(=O)OC ZINC001173575699 1205724448 /nfs/dbraw/zinc/72/44/48/1205724448.db2.gz FTAYPMJCEHAHDQ-ZSBIGDGJSA-N 0 3 378.429 0.144 20 0 GCADHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173751916 1205727278 /nfs/dbraw/zinc/72/72/78/1205727278.db2.gz XLQMAOXPJCCYQD-UONOGXRCSA-N 0 3 394.505 0.308 20 0 GCADHN CSC[C@H]1O[C@@H](n2cnc3c2ncnc3Nc2ccnc(C)c2)[C@H](O)[C@@H]1O ZINC001174654208 1205731446 /nfs/dbraw/zinc/73/14/46/1205731446.db2.gz WDZVZXQTBJMREL-LSCFUAHRSA-N 0 3 388.453 0.677 20 0 GCADHN Cc1cc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)ccc1S(N)(=O)=O ZINC001175179568 1205736038 /nfs/dbraw/zinc/73/60/38/1205736038.db2.gz KAJVYDRVRKRCAY-JKSUJKDBSA-N 0 3 381.498 0.750 20 0 GCADHN CN1CCC=C(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)C1 ZINC001175582038 1205739479 /nfs/dbraw/zinc/73/94/79/1205739479.db2.gz BYQWPKNMTRSXSF-FPSMNIFISA-N 0 3 382.482 0.210 20 0 GCADHN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCCN(C)CCOCCO ZINC001175823779 1205741851 /nfs/dbraw/zinc/74/18/51/1205741851.db2.gz YXQGRJAJVPVQJI-UHFFFAOYSA-N 0 3 386.802 0.921 20 0 GCADHN CN(C)c1noc(CCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)n1 ZINC001176095742 1205743740 /nfs/dbraw/zinc/74/37/40/1205743740.db2.gz NNTOUDIENYSAQI-UHFFFAOYSA-N 0 3 378.477 0.401 20 0 GCADHN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001176355010 1205746524 /nfs/dbraw/zinc/74/65/24/1205746524.db2.gz DWTDNCVPWDPTIE-CEXWTWQISA-N 0 3 382.468 0.727 20 0 GCADHN COCCn1c(N)c(C(=O)CN2C[C@@H](C3CC3)C[C@H]2C2CC2)c(=O)[nH]c1=O ZINC001176656080 1205752289 /nfs/dbraw/zinc/75/22/89/1205752289.db2.gz IQHWTOVBNZEYEI-KBPBESRZSA-N 0 3 376.457 0.871 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CCSC[C@H]3C(N)=O)cc2)CC1 ZINC000773589294 1205754424 /nfs/dbraw/zinc/75/44/24/1205754424.db2.gz QAQQMTHFXLNXME-KRWDZBQOSA-N 0 3 391.541 0.670 20 0 GCADHN O=C(CN1CC[C@H]2[C@@H]1CCCN2CCO)NC(=O)Nc1ccc2c(c1)OCO2 ZINC001176808756 1205754906 /nfs/dbraw/zinc/75/49/06/1205754906.db2.gz RWWMQCIGTYBDJU-GJZGRUSLSA-N 0 3 390.440 0.594 20 0 GCADHN O=C(Cc1c[nH]cn1)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001176829024 1205755811 /nfs/dbraw/zinc/75/58/11/1205755811.db2.gz JUIJDRAAMSCCJN-TXPKVOOTSA-N 0 3 397.479 0.960 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@]2(CCOC2=O)C1 ZINC001177002885 1205759937 /nfs/dbraw/zinc/75/99/37/1205759937.db2.gz OIUXJIHOQBZLAF-UGSOOPFHSA-N 0 3 395.481 0.020 20 0 GCADHN CN(C1CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OC(C)(C)C)C1)[C@H]1CCOC1 ZINC001177086301 1205761673 /nfs/dbraw/zinc/76/16/73/1205761673.db2.gz HFJLLXQOTNHXGM-GOEBONIOSA-N 0 3 393.488 0.777 20 0 GCADHN C[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC001150671401 1205767281 /nfs/dbraw/zinc/76/72/81/1205767281.db2.gz GEVLRGUHZJTUFO-LBPRGKRZSA-N 0 3 382.486 0.857 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)CC1 ZINC001177397318 1205769137 /nfs/dbraw/zinc/76/91/37/1205769137.db2.gz UPJTYMQIVMHICP-KRWDZBQOSA-N 0 3 397.479 0.391 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CC1CCCCC1)C2 ZINC001110206481 1205769767 /nfs/dbraw/zinc/76/97/67/1205769767.db2.gz SUIVZMYFTXCWHQ-OWSLCNJRSA-N 0 3 381.517 0.802 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc3nsnc31)C2 ZINC001110216143 1205781420 /nfs/dbraw/zinc/78/14/20/1205781420.db2.gz DLUKBHDDBYMDSM-VRKREXBASA-N 0 3 376.482 0.963 20 0 GCADHN O=C(C1CN(c2cnccn2)C1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001178091991 1205782663 /nfs/dbraw/zinc/78/26/63/1205782663.db2.gz NWFVLLJOQKQCBI-RTBURBONSA-N 0 3 394.479 0.810 20 0 GCADHN CC(C)CS(=O)(=O)N1CCC(NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC001178337032 1205785115 /nfs/dbraw/zinc/78/51/15/1205785115.db2.gz VUATXHQAYKIVTD-UHFFFAOYSA-N 0 3 395.572 0.935 20 0 GCADHN CN1CCC[C@H]2CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C[C@@H]21 ZINC001178502921 1205788896 /nfs/dbraw/zinc/78/88/96/1205788896.db2.gz XTDAAPFDTMRVND-GJZGRUSLSA-N 0 3 380.489 0.618 20 0 GCADHN CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 ZINC001178764422 1205794165 /nfs/dbraw/zinc/79/41/65/1205794165.db2.gz ROUFYZJWTPGXFK-UHFFFAOYSA-N 0 3 397.545 0.806 20 0 GCADHN C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001179008406 1205799105 /nfs/dbraw/zinc/79/91/05/1205799105.db2.gz KEXLOYLPECQLOV-QKKBWIMNSA-N 0 3 387.480 0.651 20 0 GCADHN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001179008049 1205799177 /nfs/dbraw/zinc/79/91/77/1205799177.db2.gz HEKKGCURCQWZQR-GDBMZVCRSA-N 0 3 383.489 0.992 20 0 GCADHN NS(=O)(=O)c1cccc2c1ccnc2C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008506 1205799332 /nfs/dbraw/zinc/79/93/32/1205799332.db2.gz LXGZWYWXZLLQSP-LLVKDONJSA-N 0 3 376.438 0.085 20 0 GCADHN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)C1 ZINC001179008686 1205799427 /nfs/dbraw/zinc/79/94/27/1205799427.db2.gz QABGJBWTAIKNRZ-KDOFPFPSSA-N 0 3 386.452 0.774 20 0 GCADHN CC(=O)N1CCC([NH+]2CCC(C(=O)NCCCc3c[n-][nH]c3=O)CC2)CC1 ZINC001179014705 1205799595 /nfs/dbraw/zinc/79/95/95/1205799595.db2.gz LNWRSYPLRBAOTB-INIZCTEOSA-N 0 3 377.489 0.338 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001179134005 1205803121 /nfs/dbraw/zinc/80/31/21/1205803121.db2.gz QFFOIPXIERJAMW-LSDHHAIUSA-N 0 3 383.489 0.944 20 0 GCADHN CN1CCC[C@@H]2CN(C(=O)[C@@H]3NC(=O)CC34CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 ZINC001179216510 1205805603 /nfs/dbraw/zinc/80/56/03/1205805603.db2.gz HTPFWQMWYFBWGU-YCPHGPKFSA-N 0 3 392.500 0.665 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]2CCO[C@@H]21 ZINC001179549314 1205811784 /nfs/dbraw/zinc/81/17/84/1205811784.db2.gz XOPXHRJAQBOIAJ-CAOSSQGBSA-N 0 3 383.489 0.800 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)COc1ccc(CO)cc1)CC2 ZINC001179657549 1205812856 /nfs/dbraw/zinc/81/28/56/1205812856.db2.gz LBBSMTLTUDMSPZ-UHFFFAOYSA-N 0 3 375.469 0.761 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)CC1=O ZINC001179739386 1205814078 /nfs/dbraw/zinc/81/40/78/1205814078.db2.gz KURANLUBZZEMJY-QLFBSQMISA-N 0 3 380.489 0.617 20 0 GCADHN CC(C)N1CCN(CC(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)CC1 ZINC001180346765 1205821972 /nfs/dbraw/zinc/82/19/72/1205821972.db2.gz MXBKXUSQNOCZPM-UHFFFAOYSA-N 0 3 389.544 0.765 20 0 GCADHN CCN(CC)CC(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001180388874 1205823486 /nfs/dbraw/zinc/82/34/86/1205823486.db2.gz QSLWSQRMCKPENF-FQEVSTJZSA-N 0 3 387.484 0.590 20 0 GCADHN C[C@H](C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2)N1CCCC1 ZINC001180578888 1205826240 /nfs/dbraw/zinc/82/62/40/1205826240.db2.gz LFGAGQGVARAMIX-APWZRJJASA-N 0 3 375.473 0.395 20 0 GCADHN CN(CC(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1)C1CCCC1 ZINC001180627333 1205828842 /nfs/dbraw/zinc/82/88/42/1205828842.db2.gz FTNYSCIGXWZZBO-UTKZUKDTSA-N 0 3 393.528 0.975 20 0 GCADHN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)CN(C)C3CCCC3)C2)C1=O ZINC001180627964 1205828951 /nfs/dbraw/zinc/82/89/51/1205828951.db2.gz NNJZTWHNUWYDMR-FQEVSTJZSA-N 0 3 378.517 0.790 20 0 GCADHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)CN(C)C1CCCC1)CC2 ZINC001180628306 1205828984 /nfs/dbraw/zinc/82/89/84/1205828984.db2.gz RVWLBIVIXQFQTD-UHFFFAOYSA-N 0 3 388.512 0.738 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001180686788 1205830183 /nfs/dbraw/zinc/83/01/83/1205830183.db2.gz NOEMJHLRRQZNSR-QGZVFWFLSA-N 0 3 378.517 0.838 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@](C)(CO)Cn2cnc3ccccc32)CC1=O ZINC001180721544 1205831792 /nfs/dbraw/zinc/83/17/92/1205831792.db2.gz UGCFAHIHKWORHM-FOIQADDNSA-N 0 3 387.484 0.314 20 0 GCADHN COCCN1C[C@@H](C(=O)N2CCc3c(CN(C)C(C)C)n[nH]c3C2)CC1=O ZINC001180894098 1205835541 /nfs/dbraw/zinc/83/55/41/1205835541.db2.gz UUBHJALMVINFIC-AWEZNQCLSA-N 0 3 377.489 0.630 20 0 GCADHN COC(=O)[C@H](CCC(=O)N1CCOC[C@@H]1CN(C)C)NC(=O)OC(C)(C)C ZINC001181116120 1205838821 /nfs/dbraw/zinc/83/88/21/1205838821.db2.gz AUIAGQDUSPSTQQ-KBPBESRZSA-N 0 3 387.477 0.622 20 0 GCADHN CCN(CCO)CCNC(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001687523627 1205847892 /nfs/dbraw/zinc/84/78/92/1205847892.db2.gz IMDWXVDLPAKXOO-SFHVURJKSA-N 0 3 388.509 0.626 20 0 GCADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000817528330 1205850151 /nfs/dbraw/zinc/85/01/51/1205850151.db2.gz PRICJQYPAQIPBS-MJBXVCDLSA-N 0 3 385.461 0.422 20 0 GCADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000817556307 1205850707 /nfs/dbraw/zinc/85/07/07/1205850707.db2.gz XGXMJWSQHVYMNO-YNEHKIRRSA-N 0 3 389.518 0.947 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001181993899 1205853120 /nfs/dbraw/zinc/85/31/20/1205853120.db2.gz GHMHRAMHEPENGK-OXJNMPFZSA-N 0 3 378.517 0.790 20 0 GCADHN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)C3(O)CCN(C)CC3)C2)O1 ZINC001182030455 1205853596 /nfs/dbraw/zinc/85/35/96/1205853596.db2.gz CACRXAGIVVPLJS-QFBILLFUSA-N 0 3 381.517 0.756 20 0 GCADHN CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)C1(O)CCN(C)CC1 ZINC001182028757 1205853605 /nfs/dbraw/zinc/85/36/05/1205853605.db2.gz ZXKIXMCSZHCPKE-UHFFFAOYSA-N 0 3 394.457 0.418 20 0 GCADHN CN1CCC(O)(C(=O)N2CC[C@H]3OC[C@@H](C(=O)N4CCCCO4)C[C@H]3C2)CC1 ZINC001182031055 1205853651 /nfs/dbraw/zinc/85/36/51/1205853651.db2.gz JYQJLIWYNWWLDB-YESZJQIVSA-N 0 3 395.500 0.251 20 0 GCADHN CN1CCC(O)(C(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCC(F)CC4)[C@@H]3C2)CC1 ZINC001182031636 1205853807 /nfs/dbraw/zinc/85/38/07/1205853807.db2.gz ODGNZJZPDYWNNZ-OIISXLGYSA-N 0 3 397.491 0.125 20 0 GCADHN CN1CCC(O)(C(=O)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC001182032137 1205853881 /nfs/dbraw/zinc/85/38/81/1205853881.db2.gz RYWXAXXFWMNQBN-LSDHHAIUSA-N 0 3 383.489 0.537 20 0 GCADHN CN1CCC(O)(C(=O)N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)CC1 ZINC001182032034 1205853903 /nfs/dbraw/zinc/85/39/03/1205853903.db2.gz RJOFVXPWUVQWMS-KZNAEPCWSA-N 0 3 393.528 0.709 20 0 GCADHN CN1CCC(O)(C(=O)NCC[C@@H]2CCOC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001182033106 1205853937 /nfs/dbraw/zinc/85/39/37/1205853937.db2.gz JZKIWVPTJOKTEP-OAHLLOKOSA-N 0 3 397.516 0.975 20 0 GCADHN Cn1ncc2c1CN(C(=O)C1(O)CCN(C)CC1)C[C@@H]2COc1cccnc1 ZINC001182032842 1205854008 /nfs/dbraw/zinc/85/40/08/1205854008.db2.gz VANDKKCFUNPNTR-OAHLLOKOSA-N 0 3 385.468 0.777 20 0 GCADHN CN1CCC(O)(C(=O)NC[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)CO2)CC1 ZINC001182033197 1205854016 /nfs/dbraw/zinc/85/40/16/1205854016.db2.gz OHUZGVJZBUZQAL-CQSZACIVSA-N 0 3 383.489 0.585 20 0 GCADHN COCCO[C@H]1CCN(C(=O)C2(O)CCN(C)CC2)[C@H]1Cc1cnn(C)c1 ZINC001182032193 1205854093 /nfs/dbraw/zinc/85/40/93/1205854093.db2.gz SQBIJZVXXGNUSI-IRXDYDNUSA-N 0 3 380.489 0.052 20 0 GCADHN C[C@@H]1C(=O)OC[C@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001182086858 1205854734 /nfs/dbraw/zinc/85/47/34/1205854734.db2.gz MAZKGARPAMKXHE-LJISPDSOSA-N 0 3 381.473 0.853 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOC[C@@H]2CN(C)C)cc1 ZINC001182130053 1205857080 /nfs/dbraw/zinc/85/70/80/1205857080.db2.gz RZZRUCOTOUPEAY-WMZOPIPTSA-N 0 3 395.525 0.937 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2(CO)CCN(C)CC2)cc1 ZINC001182130751 1205857467 /nfs/dbraw/zinc/85/74/67/1205857467.db2.gz ATZYUSINKBCYHQ-KRWDZBQOSA-N 0 3 395.525 0.721 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F)C1=COCCO1 ZINC001110252589 1205857917 /nfs/dbraw/zinc/85/79/17/1205857917.db2.gz NGNFZWZNIYLNPN-XQHKEYJVSA-N 0 3 380.363 0.536 20 0 GCADHN CC(=O)O[C@H]1CO[C@H](C(=O)N(C(=N)N)c2ccc(N3CCOCC3)cc2)S1 ZINC001182207816 1205860032 /nfs/dbraw/zinc/86/00/32/1205860032.db2.gz LAMAWNHZAXEZJV-ZBFHGGJFSA-N 0 3 394.453 0.728 20 0 GCADHN NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCn1cc(-c2ccccc2)cn1 ZINC001110272042 1205863293 /nfs/dbraw/zinc/86/32/93/1205863293.db2.gz HKZZKQDXJBJIDN-KURKYZTESA-N 0 3 382.468 0.940 20 0 GCADHN O=C(Cn1cccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001110280330 1205865032 /nfs/dbraw/zinc/86/50/32/1205865032.db2.gz WGTUOOVXRXYNML-SYQHCUMBSA-N 0 3 376.379 0.544 20 0 GCADHN NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)CC1 ZINC001182462493 1205873306 /nfs/dbraw/zinc/87/33/06/1205873306.db2.gz VNUXDCKZZRQGOK-GOSISDBHSA-N 0 3 398.507 0.881 20 0 GCADHN CC(C)N(CC(=O)N1CCOC[C@@H]1CN(C)C)S(=O)(=O)c1ccccc1 ZINC001182600245 1205877735 /nfs/dbraw/zinc/87/77/35/1205877735.db2.gz AXLGRHOKQXDGOR-INIZCTEOSA-N 0 3 383.514 0.875 20 0 GCADHN O=C(Cc1cn2cccnc2n1)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001182749980 1205878998 /nfs/dbraw/zinc/87/89/98/1205878998.db2.gz DGSUQIHCTKYLDV-UHFFFAOYSA-N 0 3 384.484 0.865 20 0 GCADHN O=C(C1CS(=O)(=O)C1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2CC2CC2)C1 ZINC001182813658 1205880537 /nfs/dbraw/zinc/88/05/37/1205880537.db2.gz PMKLAEUZNBQUMZ-PVAVHDDUSA-N 0 3 393.513 0.024 20 0 GCADHN CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N[C@]2(C)CCCN(C)C2)c(=O)[nH]1 ZINC001182834173 1205881080 /nfs/dbraw/zinc/88/10/80/1205881080.db2.gz CLFTWPSPYBQTAD-GOSISDBHSA-N 0 3 389.460 0.727 20 0 GCADHN CN1CCC(CO)(NC(=O)CC[C@@H]2NC(=S)N(c3ccccc3)C2=O)CC1 ZINC001182857181 1205881738 /nfs/dbraw/zinc/88/17/38/1205881738.db2.gz UHQJJUOMXMMADU-HNNXBMFYSA-N 0 3 390.509 0.629 20 0 GCADHN CS(=O)(=O)N(C(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(C[NH3+])cc1 ZINC001182973009 1205884941 /nfs/dbraw/zinc/88/49/41/1205884941.db2.gz QTPLLETVGVLSIV-UHFFFAOYSA-N 0 3 377.422 0.574 20 0 GCADHN CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C(=O)N(c2ncccn2)C2CNC2)C1 ZINC001183314181 1205891015 /nfs/dbraw/zinc/89/10/15/1205891015.db2.gz SAIPGLFMNWMTEN-ZDUSSCGKSA-N 0 3 375.429 0.608 20 0 GCADHN CC(C)C(=O)N1CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001183362104 1205891305 /nfs/dbraw/zinc/89/13/05/1205891305.db2.gz FRQAAJXRXFWEHO-XLIONFOSSA-N 0 3 380.533 0.938 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1)N(C)C ZINC001183363593 1205891440 /nfs/dbraw/zinc/89/14/40/1205891440.db2.gz XCKUTUXODZPJBP-DLBZAZTESA-N 0 3 381.517 0.829 20 0 GCADHN C[C@]1(O)C=C[C@H](O)C(C(=O)N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)=C1 ZINC001183541727 1205894467 /nfs/dbraw/zinc/89/44/67/1205894467.db2.gz VHNLBBNNTZEROU-NZGUISNBSA-N 0 3 385.464 0.491 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CNC(=O)CN2C(=O)C12CCCN1CCC2 ZINC001183557063 1205895052 /nfs/dbraw/zinc/89/50/52/1205895052.db2.gz MCBRKVFELMBFAC-IBGZPJMESA-N 0 3 392.500 0.953 20 0 GCADHN COc1cc(N(C(=O)Cn2cc(F)c(=O)[n-]c2=O)C2CC[NH2+]CC2)ccn1 ZINC001183659913 1205898251 /nfs/dbraw/zinc/89/82/51/1205898251.db2.gz IURGXIVCYKYJIV-UHFFFAOYSA-N 0 3 377.376 0.277 20 0 GCADHN COCCN(C(=O)[C@H](CC(=O)OC(C)(C)C)NC(C)=O)C1CCN(C)CC1 ZINC001183874071 1205901636 /nfs/dbraw/zinc/90/16/36/1205901636.db2.gz QJVWRUVRVSOVEI-INIZCTEOSA-N 0 3 385.505 0.792 20 0 GCADHN O=C(CNC(=O)[C@H](O)Cc1ccc(O)cc1)N1CCN(C2CCCCC2)CC1 ZINC001183905204 1205902502 /nfs/dbraw/zinc/90/25/02/1205902502.db2.gz AENXUZZVBHUZSY-LJQANCHMSA-N 0 3 389.496 0.889 20 0 GCADHN NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H](O)Cc2ccc(O)cc2)CC1 ZINC001183907729 1205902681 /nfs/dbraw/zinc/90/26/81/1205902681.db2.gz NYBPMJROPCEQJJ-IBGZPJMESA-N 0 3 397.475 0.932 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000774725544 1205906440 /nfs/dbraw/zinc/90/64/40/1205906440.db2.gz FCLJIKWCXJLRNH-HOTGVXAUSA-N 0 3 391.468 0.342 20 0 GCADHN CC[C@H](C)C(=O)C(=O)N1CCc2c(nnn2C)[C@H]1COCCN1CCCC1 ZINC001184318039 1205907808 /nfs/dbraw/zinc/90/78/08/1205907808.db2.gz DHIJQEQFSVBJNM-GOEBONIOSA-N 0 3 377.489 0.969 20 0 GCADHN CC(C)CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184433190 1205910525 /nfs/dbraw/zinc/91/05/25/1205910525.db2.gz FIMQDFYWTKTMJM-SGTQZHETSA-N 0 3 393.528 0.779 20 0 GCADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NC(=O)Nc1ccccc1 ZINC001184424376 1205910598 /nfs/dbraw/zinc/91/05/98/1205910598.db2.gz LSJNFSKULLCUGS-PITCONLNSA-N 0 3 398.463 0.949 20 0 GCADHN CCOC(=O)c1sc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)nc1C ZINC001184932468 1205914425 /nfs/dbraw/zinc/91/44/25/1205914425.db2.gz MMIJRNSIROSFTH-LLVKDONJSA-N 0 3 377.488 0.579 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1cccs1 ZINC000774853034 1205921046 /nfs/dbraw/zinc/92/10/46/1205921046.db2.gz GILADBXISDJWCS-SOUVJXGZSA-N 0 3 380.514 0.446 20 0 GCADHN COCCN(C(=O)c1cccc(N2CCCNC(=O)C2)n1)C1CCN(C)CC1 ZINC001185602339 1205925552 /nfs/dbraw/zinc/92/55/52/1205925552.db2.gz PFZOKFCKAOKCPE-UHFFFAOYSA-N 0 3 389.500 0.591 20 0 GCADHN COC(=O)N1CCC[C@@H](NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000774923276 1205928983 /nfs/dbraw/zinc/92/89/83/1205928983.db2.gz MIHAOCKKEPDXFK-IAGOWNOFSA-N 0 3 390.484 0.623 20 0 GCADHN CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NC1(CO)CCN(C)CC1 ZINC001185849228 1205930666 /nfs/dbraw/zinc/93/06/66/1205930666.db2.gz YTICNPKXXDLFBX-LSDHHAIUSA-N 0 3 399.488 0.358 20 0 GCADHN COC(=O)[C@H]1CCN(CC(=O)N2CCCC23CCN(CC(=O)N(C)C)CC3)C1 ZINC001186107854 1205935266 /nfs/dbraw/zinc/93/52/66/1205935266.db2.gz YGPBAGTZFSPFFZ-INIZCTEOSA-N 0 3 394.516 0.027 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000775001863 1205937953 /nfs/dbraw/zinc/93/79/53/1205937953.db2.gz FYDCKFPHKJHBSK-GJZGRUSLSA-N 0 3 382.505 0.960 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000775009992 1205938863 /nfs/dbraw/zinc/93/88/63/1205938863.db2.gz YLTTTZUQOARADI-INIZCTEOSA-N 0 3 398.504 0.293 20 0 GCADHN CCN(CCN[C@@H](C)C(=O)NC(=O)NCC(C)C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001273521713 1205940070 /nfs/dbraw/zinc/94/00/70/1205940070.db2.gz QCWDQFIXYFCSLV-NEXGVSGLSA-N 0 3 394.516 0.718 20 0 GCADHN COC(=O)c1ccc(OC)c(S(=O)(=O)NCCN2CCN(C(C)C)CC2)c1 ZINC001186587467 1205942747 /nfs/dbraw/zinc/94/27/47/1205942747.db2.gz LIRHHPUVJYGIFO-UHFFFAOYSA-N 0 3 399.513 0.786 20 0 GCADHN CCOC(=O)CCNC(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001187194822 1205956978 /nfs/dbraw/zinc/95/69/78/1205956978.db2.gz URAAUTZWWIFQQT-UHFFFAOYSA-N 0 3 391.472 0.708 20 0 GCADHN CN(C)Cc1ccc(C(=O)n2c(N)c3ncn(COCCO)c3nc2=N)cc1 ZINC001187279013 1205958827 /nfs/dbraw/zinc/95/88/27/1205958827.db2.gz HMBFAABICSJZOH-UHFFFAOYSA-N 0 3 385.428 0.011 20 0 GCADHN CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NC2(CO)CCN(C)CC2)C1 ZINC001187410102 1205962337 /nfs/dbraw/zinc/96/23/37/1205962337.db2.gz XQXJMHANCBAWJB-CABCVRRESA-N 0 3 385.505 0.974 20 0 GCADHN COCCn1ccc(C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)n1 ZINC001187915793 1205970629 /nfs/dbraw/zinc/97/06/29/1205970629.db2.gz MNFZCKTWCYSWTC-UHFFFAOYSA-N 0 3 385.468 0.779 20 0 GCADHN O=c1cc(CN2CCCC2)nc2n1CCCN(S(=O)(=O)c1nccs1)C2 ZINC001187878914 1205971464 /nfs/dbraw/zinc/97/14/64/1205971464.db2.gz UAESGWIXHGAUFM-UHFFFAOYSA-N 0 3 395.510 0.890 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)c1cc(OC)nnc1OC)CC2 ZINC001189065639 1205995077 /nfs/dbraw/zinc/99/50/77/1205995077.db2.gz XSISXZNIGGKPEH-UHFFFAOYSA-N 0 3 377.445 0.310 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(CCOCc4ccccc4)C[C@H]32)O1 ZINC001189117790 1205995592 /nfs/dbraw/zinc/99/55/92/1205995592.db2.gz MPWASPBXMLYFIR-ZSYWTGECSA-N 0 3 387.480 0.769 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)c1cc(OC)nc(OC)n1)CC2 ZINC001189087331 1205996241 /nfs/dbraw/zinc/99/62/41/1205996241.db2.gz ASIAIBYLPQXASZ-UHFFFAOYSA-N 0 3 377.445 0.310 20 0 GCADHN COc1cc(C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)nc(OC)n1 ZINC001189100343 1205996503 /nfs/dbraw/zinc/99/65/03/1205996503.db2.gz SBOYYNOCUBYECG-UHFFFAOYSA-N 0 3 399.451 0.744 20 0 GCADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)[C@@H]2C1 ZINC001189187319 1205999123 /nfs/dbraw/zinc/99/91/23/1205999123.db2.gz COCKUBSOCRBEBA-VNTMZGSJSA-N 0 3 386.496 0.871 20 0 GCADHN CC(C)N(C(=O)c1cnn[n-]1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001189342395 1206002484 /nfs/dbraw/zinc/00/24/84/1206002484.db2.gz NWXCCTVCFACTIH-UHFFFAOYSA-N 0 3 386.460 0.175 20 0 GCADHN CC(C)N(C(=O)c1c[n-]nn1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001189342395 1206002488 /nfs/dbraw/zinc/00/24/88/1206002488.db2.gz NWXCCTVCFACTIH-UHFFFAOYSA-N 0 3 386.460 0.175 20 0 GCADHN CC(C)N(C(=O)c1cn[n-]n1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001189342395 1206002493 /nfs/dbraw/zinc/00/24/93/1206002493.db2.gz NWXCCTVCFACTIH-UHFFFAOYSA-N 0 3 386.460 0.175 20 0 GCADHN CNC(=O)c1ccc(CS(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)cc1 ZINC001189383246 1206003063 /nfs/dbraw/zinc/00/30/63/1206003063.db2.gz JAMDOMPOHPKIHE-UHFFFAOYSA-N 0 3 396.557 0.834 20 0 GCADHN Cn1nc(C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)ccc1=O ZINC001189497272 1206008414 /nfs/dbraw/zinc/00/84/14/1206008414.db2.gz ZPYGXIQSFXXLIQ-KGLIPLIRSA-N 0 3 391.472 0.451 20 0 GCADHN O=C(Cc1cc[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001110409813 1206009507 /nfs/dbraw/zinc/00/95/07/1206009507.db2.gz NCKSVTZGVLFIKP-RQJABVFESA-N 0 3 376.379 0.614 20 0 GCADHN CN1C(=O)CCc2cc(CNCCNS(=O)(=O)Cc3ccon3)ccc21 ZINC000775309975 1206015410 /nfs/dbraw/zinc/01/54/10/1206015410.db2.gz JWPNRYKHMOFILD-UHFFFAOYSA-N 0 3 378.454 0.793 20 0 GCADHN CCCn1ccc(C(=O)N2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)n1 ZINC001189819064 1206016966 /nfs/dbraw/zinc/01/69/66/1206016966.db2.gz QZHBLXWDMYLSAV-UHFFFAOYSA-N 0 3 390.532 0.604 20 0 GCADHN CN1C(=O)C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)NC1=O ZINC001273591756 1206023947 /nfs/dbraw/zinc/02/39/47/1206023947.db2.gz CEMMBOTYSGENAD-SRVKXCTJSA-N 0 3 376.379 0.944 20 0 GCADHN C[C@@H](NCCNS(=O)(=O)c1cnn(C)c1)c1ccc2c(c1)CC(=O)N2C ZINC000775350637 1206025993 /nfs/dbraw/zinc/02/59/93/1206025993.db2.gz JASHUOKWGFZQEK-GFCCVEGCSA-N 0 3 377.470 0.568 20 0 GCADHN CC[C@H](C)[C@H](NC(=O)N1CCC2(CCCN2CC(=O)NC)CC1)C(=O)OC ZINC001190134065 1206026348 /nfs/dbraw/zinc/02/63/48/1206026348.db2.gz HBFQBONFVPCRGV-HOCLYGCPSA-N 0 3 382.505 0.960 20 0 GCADHN CCCc1nnsc1C(=O)n1ccc(=NCCN2CCOCC2)c(N)c1 ZINC001190151219 1206027300 /nfs/dbraw/zinc/02/73/00/1206027300.db2.gz WYLMJTXRHXFKBS-UHFFFAOYSA-N 0 3 376.486 0.796 20 0 GCADHN COC(=O)[C@@H](NC(=O)NCC(=O)N1CCN(C2CCCCC2)CC1)C(C)C ZINC001190266110 1206031671 /nfs/dbraw/zinc/03/16/71/1206031671.db2.gz XNYDBKJFICUPQL-KRWDZBQOSA-N 0 3 382.505 0.960 20 0 GCADHN COC(=O)[C@H](CC(C)C)NC(=O)N1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001190791211 1206046806 /nfs/dbraw/zinc/04/68/06/1206046806.db2.gz IKUJRMYJUBLKMP-HNNXBMFYSA-N 0 3 393.488 0.808 20 0 GCADHN COCCN1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435235 1206055379 /nfs/dbraw/zinc/05/53/79/1206055379.db2.gz VAFGHKJZVUJWSQ-HOTGVXAUSA-N 0 3 399.536 0.557 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1ncc3c(n1)N(C)[C@@H](C)C(=O)N3)CC2 ZINC001164685552 719719848 /nfs/dbraw/zinc/71/98/48/719719848.db2.gz MCCKCAJBYLTIFK-ZDUSSCGKSA-N 0 3 387.488 0.434 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001164690949 719755206 /nfs/dbraw/zinc/75/52/06/719755206.db2.gz JEDBQVPUENVBBU-UHFFFAOYSA-N 0 3 385.465 0.049 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)cc(C(=O)NC)n1)CC2 ZINC001164689878 719755889 /nfs/dbraw/zinc/75/58/89/719755889.db2.gz NIXHWKAIFPKFEG-UHFFFAOYSA-N 0 3 380.880 0.670 20 0 GCADHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc2c(nn1)CCNC2 ZINC001164697790 719861286 /nfs/dbraw/zinc/86/12/86/719861286.db2.gz AQHFNMCWBPECGR-KXBFYZLASA-N 0 3 375.473 0.355 20 0 GCADHN CN1CCN(c2cccc(-n3nc(C(=O)N4CCOCC4)c4c3CNC4)n2)CC1 ZINC001164815738 720247343 /nfs/dbraw/zinc/24/73/43/720247343.db2.gz DROUKDKLYYCWMO-UHFFFAOYSA-N 0 3 397.483 0.095 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865001 721078167 /nfs/dbraw/zinc/07/81/67/721078167.db2.gz HXPMDMFROUEEJJ-CVEARBPZSA-N 0 3 389.481 0.604 20 0 GCADHN NS(=O)(=O)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164878548 721164185 /nfs/dbraw/zinc/16/41/85/721164185.db2.gz QMBYKBZUYCQXTK-JKSUJKDBSA-N 0 3 389.481 0.604 20 0 GCADHN Cn1cc(CN2CC[C@@H]3CN(c4cccc(S(N)(=O)=O)n4)C[C@@H]3C2)cn1 ZINC001164759723 721243676 /nfs/dbraw/zinc/24/36/76/721243676.db2.gz BCROHCDAGHEWOT-CABCVRRESA-N 0 3 376.486 0.421 20 0 GCADHN CN(C)C(=O)COCc1nnc2n1CCN(c1ncccc1CN1CCCC1)C2 ZINC001165011509 721723359 /nfs/dbraw/zinc/72/33/59/721723359.db2.gz RAWHXWHWSMGFRD-UHFFFAOYSA-N 0 3 399.499 0.894 20 0 GCADHN Cn1cnc(C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nnn[n-]4)ccc3F)C2)n1 ZINC001571258430 945353970 /nfs/dbraw/zinc/35/39/70/945353970.db2.gz QOAZLIINIPHIGV-LLVKDONJSA-N 0 3 385.407 0.386 20 0 GCADHN Cn1cnc(C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)n1 ZINC001571258430 945353982 /nfs/dbraw/zinc/35/39/82/945353982.db2.gz QOAZLIINIPHIGV-LLVKDONJSA-N 0 3 385.407 0.386 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1COC(=O)N1 ZINC001571260224 945410258 /nfs/dbraw/zinc/41/02/58/945410258.db2.gz YIOWYJWVHDDEED-SWLSCSKDSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1COC(=O)N1 ZINC001571260224 945410262 /nfs/dbraw/zinc/41/02/62/945410262.db2.gz YIOWYJWVHDDEED-SWLSCSKDSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1COC(=O)N1 ZINC001571260224 945410266 /nfs/dbraw/zinc/41/02/66/945410266.db2.gz YIOWYJWVHDDEED-SWLSCSKDSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1COC(=O)N1 ZINC001571260224 945410273 /nfs/dbraw/zinc/41/02/73/945410273.db2.gz YIOWYJWVHDDEED-SWLSCSKDSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1COC(=O)N1 ZINC001571260219 945410412 /nfs/dbraw/zinc/41/04/12/945410412.db2.gz YGZCVNNKCGZBID-RBSFLKMASA-N 0 3 385.428 0.492 20 0 GCADHN O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1COC(=O)N1 ZINC001571260219 945410418 /nfs/dbraw/zinc/41/04/18/945410418.db2.gz YGZCVNNKCGZBID-RBSFLKMASA-N 0 3 385.428 0.492 20 0 GCADHN O=C(NC[C@@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F)C12CC[NH+](CC1)C2 ZINC001571260422 945414045 /nfs/dbraw/zinc/41/40/45/945414045.db2.gz SGLBZMPOUCCMEQ-HNNXBMFYSA-N 0 3 385.447 0.792 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001571264937 945495244 /nfs/dbraw/zinc/49/52/44/945495244.db2.gz BCMZDDMDTLWLMX-GXTWGEPZSA-N 0 3 385.476 0.710 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001571264937 945495248 /nfs/dbraw/zinc/49/52/48/945495248.db2.gz BCMZDDMDTLWLMX-GXTWGEPZSA-N 0 3 385.476 0.710 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001571264938 945495636 /nfs/dbraw/zinc/49/56/36/945495636.db2.gz BCMZDDMDTLWLMX-JSGCOSHPSA-N 0 3 385.476 0.710 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001571264938 945495641 /nfs/dbraw/zinc/49/56/41/945495641.db2.gz BCMZDDMDTLWLMX-JSGCOSHPSA-N 0 3 385.476 0.710 20 0 GCADHN CCc1nc(N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571265528 945513609 /nfs/dbraw/zinc/51/36/09/945513609.db2.gz HSSJIZFFRQLOCC-QWHCGFSZSA-N 0 3 385.476 0.574 20 0 GCADHN CCc1nc(N[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571265528 945513619 /nfs/dbraw/zinc/51/36/19/945513619.db2.gz HSSJIZFFRQLOCC-QWHCGFSZSA-N 0 3 385.476 0.574 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571265883 945524127 /nfs/dbraw/zinc/52/41/27/945524127.db2.gz RJKYHVJBABVWJL-UMVBOHGHSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571265883 945524133 /nfs/dbraw/zinc/52/41/33/945524133.db2.gz RJKYHVJBABVWJL-UMVBOHGHSA-N 0 3 385.476 0.647 20 0 GCADHN CC1CC[NH+](CC(=O)N(C)C2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571265972 945527449 /nfs/dbraw/zinc/52/74/49/945527449.db2.gz LYYVHOMKJMYTRP-UHFFFAOYSA-N 0 3 385.476 0.790 20 0 GCADHN CC[C@@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)[NH+](C)C ZINC001571266278 945537551 /nfs/dbraw/zinc/53/75/51/945537551.db2.gz OSSXVICBLKABJG-KBXCAEBGSA-N 0 3 385.476 0.426 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571266370 945538445 /nfs/dbraw/zinc/53/84/45/945538445.db2.gz PIBNKNHTKDMTEY-UKRRQHHQSA-N 0 3 385.476 0.932 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571266370 945538451 /nfs/dbraw/zinc/53/84/51/945538451.db2.gz PIBNKNHTKDMTEY-UKRRQHHQSA-N 0 3 385.476 0.932 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266380 945539514 /nfs/dbraw/zinc/53/95/14/945539514.db2.gz PNHAIVGWSWPIRJ-PIMMBPRGSA-N 0 3 385.476 0.838 20 0 GCADHN CC[N@H+]1CCCC[C@H]1C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266380 945539521 /nfs/dbraw/zinc/53/95/21/945539521.db2.gz PNHAIVGWSWPIRJ-PIMMBPRGSA-N 0 3 385.476 0.838 20 0 GCADHN O=C(N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)C12CC[NH+](CC1)C2 ZINC001571268997 945609469 /nfs/dbraw/zinc/60/94/69/945609469.db2.gz MBXNQZNHYMSCHH-ZDUSSCGKSA-N 0 3 386.435 0.900 20 0 GCADHN O=C(N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)C12CC[NH+](CC1)C2 ZINC001571268997 945609478 /nfs/dbraw/zinc/60/94/78/945609478.db2.gz MBXNQZNHYMSCHH-ZDUSSCGKSA-N 0 3 386.435 0.900 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571269191 945613546 /nfs/dbraw/zinc/61/35/46/945613546.db2.gz RPFGCQYKYRUFPM-VURFBFRFSA-N 0 3 386.431 0.883 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571269191 945613551 /nfs/dbraw/zinc/61/35/51/945613551.db2.gz RPFGCQYKYRUFPM-VURFBFRFSA-N 0 3 386.431 0.883 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821189489 945648652 /nfs/dbraw/zinc/64/86/52/945648652.db2.gz MWZAOXTVYJUNBH-DLBZAZTESA-N 0 3 387.488 0.826 20 0 GCADHN C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272374 945661538 /nfs/dbraw/zinc/66/15/38/945661538.db2.gz CGKULAVEBZZXAN-UXIGCNINSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1C[N@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272374 945661540 /nfs/dbraw/zinc/66/15/40/945661540.db2.gz CGKULAVEBZZXAN-UXIGCNINSA-N 0 3 386.460 0.113 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571272406 945661967 /nfs/dbraw/zinc/66/19/67/945661967.db2.gz CZVPGPBGXCYPQU-GXTWGEPZSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571272406 945661975 /nfs/dbraw/zinc/66/19/75/945661975.db2.gz CZVPGPBGXCYPQU-GXTWGEPZSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571272406 945661979 /nfs/dbraw/zinc/66/19/79/945661979.db2.gz CZVPGPBGXCYPQU-GXTWGEPZSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571272406 945661984 /nfs/dbraw/zinc/66/19/84/945661984.db2.gz CZVPGPBGXCYPQU-GXTWGEPZSA-N 0 3 386.460 0.210 20 0 GCADHN C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571272630 945667286 /nfs/dbraw/zinc/66/72/86/945667286.db2.gz GOCQUYDZTTWPEO-UONOGXRCSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571272630 945667292 /nfs/dbraw/zinc/66/72/92/945667292.db2.gz GOCQUYDZTTWPEO-UONOGXRCSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571272630 945667296 /nfs/dbraw/zinc/66/72/96/945667296.db2.gz GOCQUYDZTTWPEO-UONOGXRCSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571272630 945667301 /nfs/dbraw/zinc/66/73/01/945667301.db2.gz GOCQUYDZTTWPEO-UONOGXRCSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571272628 945667805 /nfs/dbraw/zinc/66/78/05/945667805.db2.gz GOCQUYDZTTWPEO-KBPBESRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571272628 945667809 /nfs/dbraw/zinc/66/78/09/945667809.db2.gz GOCQUYDZTTWPEO-KBPBESRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571272628 945667811 /nfs/dbraw/zinc/66/78/11/945667811.db2.gz GOCQUYDZTTWPEO-KBPBESRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571272628 945667816 /nfs/dbraw/zinc/66/78/16/945667816.db2.gz GOCQUYDZTTWPEO-KBPBESRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571272832 945671927 /nfs/dbraw/zinc/67/19/27/945671927.db2.gz JEOPOSBBCDBRTC-RWMBFGLXSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571272832 945671931 /nfs/dbraw/zinc/67/19/31/945671931.db2.gz JEOPOSBBCDBRTC-RWMBFGLXSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571272832 945671934 /nfs/dbraw/zinc/67/19/34/945671934.db2.gz JEOPOSBBCDBRTC-RWMBFGLXSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571272832 945671941 /nfs/dbraw/zinc/67/19/41/945671941.db2.gz JEOPOSBBCDBRTC-RWMBFGLXSA-N 0 3 386.460 0.161 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+]1C[C@@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272977 945675698 /nfs/dbraw/zinc/67/56/98/945675698.db2.gz MCPBCHHEZZVPDS-GXTWGEPZSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+]1C[C@@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272977 945675704 /nfs/dbraw/zinc/67/57/04/945675704.db2.gz MCPBCHHEZZVPDS-GXTWGEPZSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+]1C[C@@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272977 945675710 /nfs/dbraw/zinc/67/57/10/945675710.db2.gz MCPBCHHEZZVPDS-GXTWGEPZSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+]1C[C@@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272977 945675714 /nfs/dbraw/zinc/67/57/14/945675714.db2.gz MCPBCHHEZZVPDS-GXTWGEPZSA-N 0 3 386.460 0.305 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000821401243 945688747 /nfs/dbraw/zinc/68/87/47/945688747.db2.gz SYZIEUCQSDLAHT-WCQYABFASA-N 0 3 399.455 0.945 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001571275852 945716663 /nfs/dbraw/zinc/71/66/63/945716663.db2.gz DIVZFXBPCDFOMR-GXTWGEPZSA-N 0 3 386.460 0.257 20 0 GCADHN O=C([C@@H]1CCC(=O)N1)N1CCC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001571278318 945750312 /nfs/dbraw/zinc/75/03/12/945750312.db2.gz XTKZZZDPVPSGNL-HNNXBMFYSA-N 0 3 387.419 0.365 20 0 GCADHN O=C([C@@H]1CCC(=O)N1)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001571278318 945750320 /nfs/dbraw/zinc/75/03/20/945750320.db2.gz XTKZZZDPVPSGNL-HNNXBMFYSA-N 0 3 387.419 0.365 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571278433 945754252 /nfs/dbraw/zinc/75/42/52/945754252.db2.gz ZURQSMFOOUOEPV-QWHCGFSZSA-N 0 3 387.419 0.365 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571278433 945754260 /nfs/dbraw/zinc/75/42/60/945754260.db2.gz ZURQSMFOOUOEPV-QWHCGFSZSA-N 0 3 387.419 0.365 20 0 GCADHN O=C(C[C@@H]1CCOC1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571278524 945755663 /nfs/dbraw/zinc/75/56/63/945755663.db2.gz OZHFVDCKHGJQKU-DOTOQJQBSA-N 0 3 386.456 0.610 20 0 GCADHN O=C(C[C@H]1CCOC1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571278525 945756449 /nfs/dbraw/zinc/75/64/49/945756449.db2.gz OZHFVDCKHGJQKU-NVXWUHKLSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001571278982 945767491 /nfs/dbraw/zinc/76/74/91/945767491.db2.gz TYOMTVRRIOSSAK-RISCZKNCSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001571278982 945767497 /nfs/dbraw/zinc/76/74/97/945767497.db2.gz TYOMTVRRIOSSAK-RISCZKNCSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1[NH2+]CCN1CCCC1=O ZINC001571279966 945792381 /nfs/dbraw/zinc/79/23/81/945792381.db2.gz YLFNGFVXCWIFAH-QWHCGFSZSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1[NH2+]CCN1CCCC1=O ZINC001571279966 945792384 /nfs/dbraw/zinc/79/23/84/945792384.db2.gz YLFNGFVXCWIFAH-QWHCGFSZSA-N 0 3 386.460 0.257 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)OC)C[C@H]3C2)cc1-c1nnn[n-]1 ZINC001571279998 945792936 /nfs/dbraw/zinc/79/29/36/945792936.db2.gz YXNIDISBVLXGIC-YUELXQCFSA-N 0 3 386.456 0.800 20 0 GCADHN COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)OC)C[C@H]3C2)cc1-c1nnn[n-]1 ZINC001571279998 945792947 /nfs/dbraw/zinc/79/29/47/945792947.db2.gz YXNIDISBVLXGIC-YUELXQCFSA-N 0 3 386.456 0.800 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)OC)C[C@H]3C2)cc1-c1nn[n-]n1 ZINC001571279998 945792950 /nfs/dbraw/zinc/79/29/50/945792950.db2.gz YXNIDISBVLXGIC-YUELXQCFSA-N 0 3 386.456 0.800 20 0 GCADHN COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)OC)C[C@H]3C2)cc1-c1nn[n-]n1 ZINC001571279998 945792961 /nfs/dbraw/zinc/79/29/61/945792961.db2.gz YXNIDISBVLXGIC-YUELXQCFSA-N 0 3 386.456 0.800 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573447888 945804523 /nfs/dbraw/zinc/80/45/23/945804523.db2.gz FNDJAZQMWZKZEC-HLLBOEOZSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573447888 945804535 /nfs/dbraw/zinc/80/45/35/945804535.db2.gz FNDJAZQMWZKZEC-HLLBOEOZSA-N 0 3 383.456 0.614 20 0 GCADHN C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571281594 945807165 /nfs/dbraw/zinc/80/71/65/945807165.db2.gz JNKJSQYSGYGHAR-MNOVXSKESA-N 0 3 387.473 0.473 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573448762 945808584 /nfs/dbraw/zinc/80/85/84/945808584.db2.gz MISYGGVWULDKMD-IXDOHACOSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573448762 945808585 /nfs/dbraw/zinc/80/85/85/945808585.db2.gz MISYGGVWULDKMD-IXDOHACOSA-N 0 3 383.456 0.614 20 0 GCADHN C[C@@H]1[C@H](C(=O)N(C)C2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)CC[N@@H+]1C ZINC001571282428 945843150 /nfs/dbraw/zinc/84/31/50/945843150.db2.gz YDCSJJDTECCMCK-MLGOLLRUSA-N 0 3 387.463 0.989 20 0 GCADHN C[C@@H]1[C@H](C(=O)N(C)C2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)CC[N@H+]1C ZINC001571282428 945843165 /nfs/dbraw/zinc/84/31/65/945843165.db2.gz YDCSJJDTECCMCK-MLGOLLRUSA-N 0 3 387.463 0.989 20 0 GCADHN C[C@@H]1[C@H](C(=O)N(C)C2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)CC[N@@H+]1C ZINC001571282428 945843181 /nfs/dbraw/zinc/84/31/81/945843181.db2.gz YDCSJJDTECCMCK-MLGOLLRUSA-N 0 3 387.463 0.989 20 0 GCADHN C[C@@H]1[C@H](C(=O)N(C)C2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)CC[N@H+]1C ZINC001571282428 945843196 /nfs/dbraw/zinc/84/31/96/945843196.db2.gz YDCSJJDTECCMCK-MLGOLLRUSA-N 0 3 387.463 0.989 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC001573455670 945885625 /nfs/dbraw/zinc/88/56/25/945885625.db2.gz GHNZHXMLAKJRRP-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC001573455670 945885638 /nfs/dbraw/zinc/88/56/38/945885638.db2.gz GHNZHXMLAKJRRP-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573455669 945886035 /nfs/dbraw/zinc/88/60/35/945886035.db2.gz GHNZHXMLAKJRRP-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573455669 945886041 /nfs/dbraw/zinc/88/60/41/945886041.db2.gz GHNZHXMLAKJRRP-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573456863 945900217 /nfs/dbraw/zinc/90/02/17/945900217.db2.gz PQAOAFXNLFYBNF-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573456863 945900229 /nfs/dbraw/zinc/90/02/29/945900229.db2.gz PQAOAFXNLFYBNF-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573459617 945914569 /nfs/dbraw/zinc/91/45/69/945914569.db2.gz HRFZTQPJEOTBMW-INIZCTEOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573459617 945914579 /nfs/dbraw/zinc/91/45/79/945914579.db2.gz HRFZTQPJEOTBMW-INIZCTEOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573459607 945914742 /nfs/dbraw/zinc/91/47/42/945914742.db2.gz HJMKYBPIMDJFQP-GHMZBOCLSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573459607 945914746 /nfs/dbraw/zinc/91/47/46/945914746.db2.gz HJMKYBPIMDJFQP-GHMZBOCLSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573459609 945914809 /nfs/dbraw/zinc/91/48/09/945914809.db2.gz HJMKYBPIMDJFQP-QWRGUYRKSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573459609 945914815 /nfs/dbraw/zinc/91/48/15/945914815.db2.gz HJMKYBPIMDJFQP-QWRGUYRKSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573460817 945918688 /nfs/dbraw/zinc/91/86/88/945918688.db2.gz MCCVITNDEXQVSM-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573460817 945918697 /nfs/dbraw/zinc/91/86/97/945918697.db2.gz MCCVITNDEXQVSM-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573461593 945922614 /nfs/dbraw/zinc/92/26/14/945922614.db2.gz PTUIRXKDQXVUAA-WDEREUQCSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573461593 945922620 /nfs/dbraw/zinc/92/26/20/945922620.db2.gz PTUIRXKDQXVUAA-WDEREUQCSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573462367 945938597 /nfs/dbraw/zinc/93/85/97/945938597.db2.gz HMYUXCLIFYIYRY-MRXNPFEDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573462367 945938601 /nfs/dbraw/zinc/93/86/01/945938601.db2.gz HMYUXCLIFYIYRY-MRXNPFEDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573463204 945951782 /nfs/dbraw/zinc/95/17/82/945951782.db2.gz TVKDHGKNZAWWGN-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573463204 945951791 /nfs/dbraw/zinc/95/17/91/945951791.db2.gz TVKDHGKNZAWWGN-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573468916 945999501 /nfs/dbraw/zinc/99/95/01/945999501.db2.gz RNESMLKPPJTFRR-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573468916 945999512 /nfs/dbraw/zinc/99/95/12/945999512.db2.gz RNESMLKPPJTFRR-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN COc1cc(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)sn1 ZINC001571289543 946010566 /nfs/dbraw/zinc/01/05/66/946010566.db2.gz HFVZECOEWLBESM-JTQLQIEISA-N 0 3 388.457 0.912 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470109 946016464 /nfs/dbraw/zinc/01/64/64/946016464.db2.gz BGGMMYFBXNDQND-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573470109 946016472 /nfs/dbraw/zinc/01/64/72/946016472.db2.gz BGGMMYFBXNDQND-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470422 946025409 /nfs/dbraw/zinc/02/54/09/946025409.db2.gz FCPNGFPBXFHPMF-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573470422 946025417 /nfs/dbraw/zinc/02/54/17/946025417.db2.gz FCPNGFPBXFHPMF-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN Cn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)[nH]c1=O ZINC001571290220 946035100 /nfs/dbraw/zinc/03/51/00/946035100.db2.gz XXBIZGAUPMGNEO-JTQLQIEISA-N 0 3 388.457 0.762 20 0 GCADHN CO[C@H](C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571290294 946037102 /nfs/dbraw/zinc/03/71/02/946037102.db2.gz ZUKGOFOMJGTGLA-KGLIPLIRSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571290294 946037114 /nfs/dbraw/zinc/03/71/14/946037114.db2.gz ZUKGOFOMJGTGLA-KGLIPLIRSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@H](C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571290294 946037129 /nfs/dbraw/zinc/03/71/29/946037129.db2.gz ZUKGOFOMJGTGLA-KGLIPLIRSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571290294 946037146 /nfs/dbraw/zinc/03/71/46/946037146.db2.gz ZUKGOFOMJGTGLA-KGLIPLIRSA-N 0 3 388.476 0.062 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573471378 946050242 /nfs/dbraw/zinc/05/02/42/946050242.db2.gz OJBHUUJIPMSMCA-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573471378 946050254 /nfs/dbraw/zinc/05/02/54/946050254.db2.gz OJBHUUJIPMSMCA-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573471912 946058961 /nfs/dbraw/zinc/05/89/61/946058961.db2.gz SBORNRMSYJBJFZ-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573471912 946058973 /nfs/dbraw/zinc/05/89/73/946058973.db2.gz SBORNRMSYJBJFZ-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573471912 946058983 /nfs/dbraw/zinc/05/89/83/946058983.db2.gz SBORNRMSYJBJFZ-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573471912 946058997 /nfs/dbraw/zinc/05/89/97/946058997.db2.gz SBORNRMSYJBJFZ-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573472371 946063705 /nfs/dbraw/zinc/06/37/05/946063705.db2.gz VURWWJHKPDONKU-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573472371 946063718 /nfs/dbraw/zinc/06/37/18/946063718.db2.gz VURWWJHKPDONKU-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472390 946065300 /nfs/dbraw/zinc/06/53/00/946065300.db2.gz VZOBAXFNTHWVMF-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472390 946065314 /nfs/dbraw/zinc/06/53/14/946065314.db2.gz VZOBAXFNTHWVMF-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472671 946067751 /nfs/dbraw/zinc/06/77/51/946067751.db2.gz XEZNCJICBGLPCX-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472671 946067759 /nfs/dbraw/zinc/06/77/59/946067759.db2.gz XEZNCJICBGLPCX-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472671 946067768 /nfs/dbraw/zinc/06/77/68/946067768.db2.gz XEZNCJICBGLPCX-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472671 946067778 /nfs/dbraw/zinc/06/77/78/946067778.db2.gz XEZNCJICBGLPCX-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573473130 946074932 /nfs/dbraw/zinc/07/49/32/946074932.db2.gz ZHVJPJBVRYHUDU-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573473130 946074944 /nfs/dbraw/zinc/07/49/44/946074944.db2.gz ZHVJPJBVRYHUDU-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573473170 946075907 /nfs/dbraw/zinc/07/59/07/946075907.db2.gz ZZHPLAUPMJDINX-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573473170 946075920 /nfs/dbraw/zinc/07/59/20/946075920.db2.gz ZZHPLAUPMJDINX-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571292033 946085639 /nfs/dbraw/zinc/08/56/39/946085639.db2.gz TUIYLFRVUWOQSI-SMDDNHRTSA-N 0 3 389.391 0.195 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573474624 946091650 /nfs/dbraw/zinc/09/16/50/946091650.db2.gz LXUVJCKQAAEBGL-HXPMCKFVSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573474624 946091662 /nfs/dbraw/zinc/09/16/62/946091662.db2.gz LXUVJCKQAAEBGL-HXPMCKFVSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573474809 946095311 /nfs/dbraw/zinc/09/53/11/946095311.db2.gz NYODTLKGWGBKAV-GXFFZTMASA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573474809 946095319 /nfs/dbraw/zinc/09/53/19/946095319.db2.gz NYODTLKGWGBKAV-GXFFZTMASA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573475186 946096924 /nfs/dbraw/zinc/09/69/24/946096924.db2.gz QEJPUYJIPPMREB-YLQAJVPDSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573475186 946096935 /nfs/dbraw/zinc/09/69/35/946096935.db2.gz QEJPUYJIPPMREB-YLQAJVPDSA-N 0 3 383.456 0.424 20 0 GCADHN CN1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571293289 946101755 /nfs/dbraw/zinc/10/17/55/946101755.db2.gz DHRJUDSECIINTN-XJKSGUPXSA-N 0 3 389.435 0.027 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC001573475669 946102356 /nfs/dbraw/zinc/10/23/56/946102356.db2.gz WPPMPFPLAJYAFP-PBFPGSCMSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC001573475669 946102361 /nfs/dbraw/zinc/10/23/61/946102361.db2.gz WPPMPFPLAJYAFP-PBFPGSCMSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573475489 946102441 /nfs/dbraw/zinc/10/24/41/946102441.db2.gz UTPRMMBEWHPGFY-NHYWBVRUSA-N 0 3 389.435 0.611 20 0 GCADHN CCO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001571293671 946113374 /nfs/dbraw/zinc/11/33/74/946113374.db2.gz OQVQMADJZKRRDZ-WOSRLPQWSA-N 0 3 389.460 0.298 20 0 GCADHN CCO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001571293671 946113381 /nfs/dbraw/zinc/11/33/81/946113381.db2.gz OQVQMADJZKRRDZ-WOSRLPQWSA-N 0 3 389.460 0.298 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1(C)CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573476194 946115882 /nfs/dbraw/zinc/11/58/82/946115882.db2.gz DJFXLPZBDNMAOH-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573476189 946117124 /nfs/dbraw/zinc/11/71/24/946117124.db2.gz DDZAOAGJOMSXIP-QFYYESIMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573476189 946117131 /nfs/dbraw/zinc/11/71/31/946117131.db2.gz DDZAOAGJOMSXIP-QFYYESIMSA-N 0 3 389.435 0.515 20 0 GCADHN Cc1sc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c(-c2nnn[n-]2)c1C ZINC000822558048 946126745 /nfs/dbraw/zinc/12/67/45/946126745.db2.gz LQWRYAAGOSDNGQ-GFCCVEGCSA-N 0 3 379.490 0.746 20 0 GCADHN Cc1sc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)c(-c2nn[n-]n2)c1C ZINC000822558048 946126748 /nfs/dbraw/zinc/12/67/48/946126748.db2.gz LQWRYAAGOSDNGQ-GFCCVEGCSA-N 0 3 379.490 0.746 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573477050 946128174 /nfs/dbraw/zinc/12/81/74/946128174.db2.gz LSYCHWXXCKVOTI-MNOVXSKESA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573477050 946128179 /nfs/dbraw/zinc/12/81/79/946128179.db2.gz LSYCHWXXCKVOTI-MNOVXSKESA-N 0 3 377.424 0.372 20 0 GCADHN Cn1cc(C[C@H]2CC[N@H+](C[C@@H](O)COc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822673874 946151791 /nfs/dbraw/zinc/15/17/91/946151791.db2.gz FHDIGRORWLWFLH-RHSMWYFYSA-N 0 3 383.456 0.905 20 0 GCADHN Cn1cc(C[C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822673874 946151799 /nfs/dbraw/zinc/15/17/99/946151799.db2.gz FHDIGRORWLWFLH-RHSMWYFYSA-N 0 3 383.456 0.905 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571295050 946151880 /nfs/dbraw/zinc/15/18/80/946151880.db2.gz NZIIZXUIIDVKQK-WZRBSPASSA-N 0 3 389.485 0.486 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571295050 946151886 /nfs/dbraw/zinc/15/18/86/946151886.db2.gz NZIIZXUIIDVKQK-WZRBSPASSA-N 0 3 389.485 0.486 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573479374 946158409 /nfs/dbraw/zinc/15/84/09/946158409.db2.gz CDPOOCCCGLWWHX-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573479383 946159053 /nfs/dbraw/zinc/15/90/53/946159053.db2.gz CJIZNOIKAQFVAU-ZDUSSCGKSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573479383 946159059 /nfs/dbraw/zinc/15/90/59/946159059.db2.gz CJIZNOIKAQFVAU-ZDUSSCGKSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573479829 946168201 /nfs/dbraw/zinc/16/82/01/946168201.db2.gz HTDVGYITOYAKHF-ZBEGNZNMSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573479829 946168205 /nfs/dbraw/zinc/16/82/05/946168205.db2.gz HTDVGYITOYAKHF-ZBEGNZNMSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001573481642 946184961 /nfs/dbraw/zinc/18/49/61/946184961.db2.gz QMYZZWFSRACWDP-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573482536 946198108 /nfs/dbraw/zinc/19/81/08/946198108.db2.gz XNXXKTIBSMVRGA-FNBIGBAISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573482536 946198112 /nfs/dbraw/zinc/19/81/12/946198112.db2.gz XNXXKTIBSMVRGA-FNBIGBAISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001573482575 946198706 /nfs/dbraw/zinc/19/87/06/946198706.db2.gz YGLKAIPBWFEGRY-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001573482575 946198716 /nfs/dbraw/zinc/19/87/16/946198716.db2.gz YGLKAIPBWFEGRY-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573484993 946219973 /nfs/dbraw/zinc/21/99/73/946219973.db2.gz OYZJNAOQMLBWSD-BPNCWPANSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573484993 946219988 /nfs/dbraw/zinc/21/99/88/946219988.db2.gz OYZJNAOQMLBWSD-BPNCWPANSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573485537 946230616 /nfs/dbraw/zinc/23/06/16/946230616.db2.gz VHBPLTXIHSGMCD-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573485537 946230627 /nfs/dbraw/zinc/23/06/27/946230627.db2.gz VHBPLTXIHSGMCD-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573485537 946230640 /nfs/dbraw/zinc/23/06/40/946230640.db2.gz VHBPLTXIHSGMCD-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573485537 946230654 /nfs/dbraw/zinc/23/06/54/946230654.db2.gz VHBPLTXIHSGMCD-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573486459 946240940 /nfs/dbraw/zinc/24/09/40/946240940.db2.gz GHSZQFQGXXSDNN-WBIUFABUSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573487651 946257069 /nfs/dbraw/zinc/25/70/69/946257069.db2.gz QQCQFTHLRSEJAM-WQAKAFBOSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573487651 946257080 /nfs/dbraw/zinc/25/70/80/946257080.db2.gz QQCQFTHLRSEJAM-WQAKAFBOSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)NC1(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573488864 946280182 /nfs/dbraw/zinc/28/01/82/946280182.db2.gz OKXOESFRXWIGKK-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573488864 946280194 /nfs/dbraw/zinc/28/01/94/946280194.db2.gz OKXOESFRXWIGKK-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573489168 946287346 /nfs/dbraw/zinc/28/73/46/946287346.db2.gz ZZBYMJNUUAIZKH-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573489168 946287355 /nfs/dbraw/zinc/28/73/55/946287355.db2.gz ZZBYMJNUUAIZKH-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573500351 946370866 /nfs/dbraw/zinc/37/08/66/946370866.db2.gz IDNBGEBAHXSWFP-SMDDNHRTSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573500351 946370874 /nfs/dbraw/zinc/37/08/74/946370874.db2.gz IDNBGEBAHXSWFP-SMDDNHRTSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573502427 946384834 /nfs/dbraw/zinc/38/48/34/946384834.db2.gz VMPFCEIMGFONJE-SMDDNHRTSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573502427 946384851 /nfs/dbraw/zinc/38/48/51/946384851.db2.gz VMPFCEIMGFONJE-SMDDNHRTSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573503927 946401758 /nfs/dbraw/zinc/40/17/58/946401758.db2.gz CWSJFJNDSFPAGO-BDJLRTHQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573503927 946401763 /nfs/dbraw/zinc/40/17/63/946401763.db2.gz CWSJFJNDSFPAGO-BDJLRTHQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573505129 946417732 /nfs/dbraw/zinc/41/77/32/946417732.db2.gz KABNRVMJBZZTLB-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573505129 946417740 /nfs/dbraw/zinc/41/77/40/946417740.db2.gz KABNRVMJBZZTLB-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505591 946421695 /nfs/dbraw/zinc/42/16/95/946421695.db2.gz LKRSNBVETSPWBF-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505591 946421703 /nfs/dbraw/zinc/42/17/03/946421703.db2.gz LKRSNBVETSPWBF-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505933 946426238 /nfs/dbraw/zinc/42/62/38/946426238.db2.gz PNLKKPRHNQTILV-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505933 946426245 /nfs/dbraw/zinc/42/62/45/946426245.db2.gz PNLKKPRHNQTILV-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506044 946428609 /nfs/dbraw/zinc/42/86/09/946428609.db2.gz OISHBKWSIICQHX-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506044 946428612 /nfs/dbraw/zinc/42/86/12/946428612.db2.gz OISHBKWSIICQHX-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573506411 946432987 /nfs/dbraw/zinc/43/29/87/946432987.db2.gz QPEVNDHEOPCNEU-OAHLLOKOSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573506411 946432990 /nfs/dbraw/zinc/43/29/90/946432990.db2.gz QPEVNDHEOPCNEU-OAHLLOKOSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506986 946441695 /nfs/dbraw/zinc/44/16/95/946441695.db2.gz UHZFVSFXCLZABN-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506986 946441699 /nfs/dbraw/zinc/44/16/99/946441699.db2.gz UHZFVSFXCLZABN-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506986 946441703 /nfs/dbraw/zinc/44/17/03/946441703.db2.gz UHZFVSFXCLZABN-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506986 946441709 /nfs/dbraw/zinc/44/17/09/946441709.db2.gz UHZFVSFXCLZABN-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573507199 946443320 /nfs/dbraw/zinc/44/33/20/946443320.db2.gz VHRQWIWFYKXDJV-AWEZNQCLSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573507416 946445768 /nfs/dbraw/zinc/44/57/68/946445768.db2.gz XVCFIGIJMRYNEB-GOSISDBHSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573507416 946445774 /nfs/dbraw/zinc/44/57/74/946445774.db2.gz XVCFIGIJMRYNEB-GOSISDBHSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573507727 946449626 /nfs/dbraw/zinc/44/96/26/946449626.db2.gz XIPFBXWWKXRIIS-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573507727 946449636 /nfs/dbraw/zinc/44/96/36/946449636.db2.gz XIPFBXWWKXRIIS-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573508362 946454615 /nfs/dbraw/zinc/45/46/15/946454615.db2.gz ZULWAJYHXYIXRD-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573508362 946454619 /nfs/dbraw/zinc/45/46/19/946454619.db2.gz ZULWAJYHXYIXRD-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573508362 946454623 /nfs/dbraw/zinc/45/46/23/946454623.db2.gz ZULWAJYHXYIXRD-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573508362 946454627 /nfs/dbraw/zinc/45/46/27/946454627.db2.gz ZULWAJYHXYIXRD-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573508849 946454864 /nfs/dbraw/zinc/45/48/64/946454864.db2.gz AEEYZEMVWODILA-OAHLLOKOSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573508849 946454870 /nfs/dbraw/zinc/45/48/70/946454870.db2.gz AEEYZEMVWODILA-OAHLLOKOSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573509599 946463959 /nfs/dbraw/zinc/46/39/59/946463959.db2.gz OQWZGUVRCQELQO-HNNXBMFYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573509600 946464957 /nfs/dbraw/zinc/46/49/57/946464957.db2.gz OQWZGUVRCQELQO-OAHLLOKOSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573510228 946473066 /nfs/dbraw/zinc/47/30/66/946473066.db2.gz CDAJCVUWIUJBAM-OAHLLOKOSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573510228 946473072 /nfs/dbraw/zinc/47/30/72/946473072.db2.gz CDAJCVUWIUJBAM-OAHLLOKOSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)CC(C)C ZINC001573510693 946480178 /nfs/dbraw/zinc/48/01/78/946480178.db2.gz JMYPPEVXAOZTND-CQSZACIVSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)CC(C)C ZINC001573510693 946480183 /nfs/dbraw/zinc/48/01/83/946480183.db2.gz JMYPPEVXAOZTND-CQSZACIVSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573511435 946484779 /nfs/dbraw/zinc/48/47/79/946484779.db2.gz QFAKVYOGGXORNJ-PXNSSMCTSA-N 0 3 397.483 0.721 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573511435 946484785 /nfs/dbraw/zinc/48/47/85/946484785.db2.gz QFAKVYOGGXORNJ-PXNSSMCTSA-N 0 3 397.483 0.721 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)c1cnn(C)c1 ZINC001571311225 946485464 /nfs/dbraw/zinc/48/54/64/946485464.db2.gz UDSBGCKEKUUBNS-DUOKCRBOSA-N 0 3 392.467 0.950 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)c1cnn(C)c1 ZINC001571311225 946485467 /nfs/dbraw/zinc/48/54/67/946485467.db2.gz UDSBGCKEKUUBNS-DUOKCRBOSA-N 0 3 392.467 0.950 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)c1cnn(C)c1 ZINC001571311225 946485471 /nfs/dbraw/zinc/48/54/71/946485471.db2.gz UDSBGCKEKUUBNS-DUOKCRBOSA-N 0 3 392.467 0.950 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)c1cnn(C)c1 ZINC001571311225 946485474 /nfs/dbraw/zinc/48/54/74/946485474.db2.gz UDSBGCKEKUUBNS-DUOKCRBOSA-N 0 3 392.467 0.950 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573512868 946505883 /nfs/dbraw/zinc/50/58/83/946505883.db2.gz IYIZDVOPPRRFQB-OAHLLOKOSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573513955 946517135 /nfs/dbraw/zinc/51/71/35/946517135.db2.gz RVWLZOONVKZJFO-SWLSCSKDSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573513955 946517142 /nfs/dbraw/zinc/51/71/42/946517142.db2.gz RVWLZOONVKZJFO-SWLSCSKDSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573514559 946529372 /nfs/dbraw/zinc/52/93/72/946529372.db2.gz ZWVZHGGVORKVNE-TZMCWYRMSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573514559 946529382 /nfs/dbraw/zinc/52/93/82/946529382.db2.gz ZWVZHGGVORKVNE-TZMCWYRMSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCC1 ZINC001573517550 946577832 /nfs/dbraw/zinc/57/78/32/946577832.db2.gz NAONHGGWSXBGDJ-UHFFFAOYSA-N 0 3 375.408 0.270 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCC1 ZINC001573517550 946577841 /nfs/dbraw/zinc/57/78/41/946577841.db2.gz NAONHGGWSXBGDJ-UHFFFAOYSA-N 0 3 375.408 0.270 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573520235 946592561 /nfs/dbraw/zinc/59/25/61/946592561.db2.gz FCLNQMLGPYYXMP-SWLSCSKDSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573520235 946592571 /nfs/dbraw/zinc/59/25/71/946592571.db2.gz FCLNQMLGPYYXMP-SWLSCSKDSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573521192 946605721 /nfs/dbraw/zinc/60/57/21/946605721.db2.gz TYQCNNYKHNFBQB-BETUJISGSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573521192 946605727 /nfs/dbraw/zinc/60/57/27/946605727.db2.gz TYQCNNYKHNFBQB-BETUJISGSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573521894 946615080 /nfs/dbraw/zinc/61/50/80/946615080.db2.gz NLYXQPPZRUPQBE-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573521894 946615088 /nfs/dbraw/zinc/61/50/88/946615088.db2.gz NLYXQPPZRUPQBE-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573523204 946634682 /nfs/dbraw/zinc/63/46/82/946634682.db2.gz PPWALMKQFBZZBM-MRXNPFEDSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573523966 946640600 /nfs/dbraw/zinc/64/06/00/946640600.db2.gz YUOBEPNQSYWPFE-LPHOPBHVSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573523966 946640608 /nfs/dbraw/zinc/64/06/08/946640608.db2.gz YUOBEPNQSYWPFE-LPHOPBHVSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001573523966 946640611 /nfs/dbraw/zinc/64/06/11/946640611.db2.gz YUOBEPNQSYWPFE-LPHOPBHVSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001573523966 946640617 /nfs/dbraw/zinc/64/06/17/946640617.db2.gz YUOBEPNQSYWPFE-LPHOPBHVSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573523920 946640741 /nfs/dbraw/zinc/64/07/41/946640741.db2.gz YCCVKQRZVWPXBY-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573523920 946640747 /nfs/dbraw/zinc/64/07/47/946640747.db2.gz YCCVKQRZVWPXBY-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573527566 946642868 /nfs/dbraw/zinc/64/28/68/946642868.db2.gz DASBKEPDLQJIJN-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573527986 946652444 /nfs/dbraw/zinc/65/24/44/946652444.db2.gz OMXBKBHDLKQQAK-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573527986 946652450 /nfs/dbraw/zinc/65/24/50/946652450.db2.gz OMXBKBHDLKQQAK-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573537423 946746872 /nfs/dbraw/zinc/74/68/72/946746872.db2.gz AJJTURTXGYJNKB-INIZCTEOSA-N 0 3 391.451 0.762 20 0 GCADHN C[C@H](C(=O)N(C)C)[N@H+](C)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573592868 947352622 /nfs/dbraw/zinc/35/26/22/947352622.db2.gz GJKYZVUYTGPVIO-GFCCVEGCSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@H](C(=O)N(C)C)[N@@H+](C)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573592868 947352636 /nfs/dbraw/zinc/35/26/36/947352636.db2.gz GJKYZVUYTGPVIO-GFCCVEGCSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573593863 947379562 /nfs/dbraw/zinc/37/95/62/947379562.db2.gz LZKMLKKQEORGJB-XGNXJENSSA-N 0 3 392.485 0.379 20 0 GCADHN C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573593863 947379574 /nfs/dbraw/zinc/37/95/74/947379574.db2.gz LZKMLKKQEORGJB-XGNXJENSSA-N 0 3 392.485 0.379 20 0 GCADHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826028454 947405881 /nfs/dbraw/zinc/40/58/81/947405881.db2.gz ANHGPUUCHVICDS-ZFWWWQNUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826028454 947405890 /nfs/dbraw/zinc/40/58/90/947405890.db2.gz ANHGPUUCHVICDS-ZFWWWQNUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826028454 947405892 /nfs/dbraw/zinc/40/58/92/947405892.db2.gz ANHGPUUCHVICDS-ZFWWWQNUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826028454 947405895 /nfs/dbraw/zinc/40/58/95/947405895.db2.gz ANHGPUUCHVICDS-ZFWWWQNUSA-N 0 3 385.476 0.799 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573595184 947417878 /nfs/dbraw/zinc/41/78/78/947417878.db2.gz GCLIXMKXSXMZQC-XHDPSFHLSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573595184 947417881 /nfs/dbraw/zinc/41/78/81/947417881.db2.gz GCLIXMKXSXMZQC-XHDPSFHLSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@@H](C(=O)N(C)CCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573602267 947468945 /nfs/dbraw/zinc/46/89/45/947468945.db2.gz DZDWZJVSRBHBBK-CQSZACIVSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573603573 947492465 /nfs/dbraw/zinc/49/24/65/947492465.db2.gz NRMKBKOIZIEAHL-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573603573 947492471 /nfs/dbraw/zinc/49/24/71/947492471.db2.gz NRMKBKOIZIEAHL-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCCC1 ZINC001573603724 947497605 /nfs/dbraw/zinc/49/76/05/947497605.db2.gz OYLGRLKEGDWEES-AWEZNQCLSA-N 0 3 387.492 0.816 20 0 GCADHN C[C@H](C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCCCC1 ZINC001573604453 947510177 /nfs/dbraw/zinc/51/01/77/947510177.db2.gz UNBYZHTYFGCXPG-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCCCC1 ZINC001573604456 947511863 /nfs/dbraw/zinc/51/18/63/947511863.db2.gz UNBYZHTYFGCXPG-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573616292 947620628 /nfs/dbraw/zinc/62/06/28/947620628.db2.gz MPZBUTVPJHSHGH-CHWSQXEVSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573616292 947620634 /nfs/dbraw/zinc/62/06/34/947620634.db2.gz MPZBUTVPJHSHGH-CHWSQXEVSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573616745 947627153 /nfs/dbraw/zinc/62/71/53/947627153.db2.gz NGFVRHLGUHFUQF-TZMCWYRMSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573616745 947627156 /nfs/dbraw/zinc/62/71/56/947627156.db2.gz NGFVRHLGUHFUQF-TZMCWYRMSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573617402 947636826 /nfs/dbraw/zinc/63/68/26/947636826.db2.gz OZHUKOGVZYWGDV-ZFWWWQNUSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573617402 947636834 /nfs/dbraw/zinc/63/68/34/947636834.db2.gz OZHUKOGVZYWGDV-ZFWWWQNUSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573628795 947765588 /nfs/dbraw/zinc/76/55/88/947765588.db2.gz OGGRNZBMFMGCKO-OCCSQVGLSA-N 0 3 392.485 0.380 20 0 GCADHN CC(=O)CCCC(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573377087 947846997 /nfs/dbraw/zinc/84/69/97/947846997.db2.gz HKEKGYPOTYRSBH-QGZVFWFLSA-N 0 3 386.456 0.943 20 0 GCADHN CC(=O)CCCC(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573377087 947847002 /nfs/dbraw/zinc/84/70/02/947847002.db2.gz HKEKGYPOTYRSBH-QGZVFWFLSA-N 0 3 386.456 0.943 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)n1cncn1 ZINC001573639767 947848728 /nfs/dbraw/zinc/84/87/28/947848728.db2.gz CPQVUHIVYCSWBB-WCQYABFASA-N 0 3 385.407 0.549 20 0 GCADHN C[C@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[NH+]1CCCCCC1 ZINC001573644036 947867494 /nfs/dbraw/zinc/86/74/94/947867494.db2.gz XCCCJZDWBLNKAQ-CQSZACIVSA-N 0 3 385.476 0.570 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573647592 947899643 /nfs/dbraw/zinc/89/96/43/947899643.db2.gz PSTBMQVKDACCLR-DVOMOZLQSA-N 0 3 381.444 0.656 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573647592 947899652 /nfs/dbraw/zinc/89/96/52/947899652.db2.gz PSTBMQVKDACCLR-DVOMOZLQSA-N 0 3 381.444 0.656 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC001573388377 947919501 /nfs/dbraw/zinc/91/95/01/947919501.db2.gz LRQPQFLVLJJHQZ-ZBEGNZNMSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573388995 947922981 /nfs/dbraw/zinc/92/29/81/947922981.db2.gz OWCLVISTTJMNEP-CJNGLKHVSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573388995 947922990 /nfs/dbraw/zinc/92/29/90/947922990.db2.gz OWCLVISTTJMNEP-CJNGLKHVSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573389494 947924892 /nfs/dbraw/zinc/92/48/92/947924892.db2.gz RRIAKBQUYPYSSD-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573389494 947924898 /nfs/dbraw/zinc/92/48/98/947924898.db2.gz RRIAKBQUYPYSSD-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1C ZINC001573392333 947946858 /nfs/dbraw/zinc/94/68/58/947946858.db2.gz AAGRQWOSYUCVKW-BDJLRTHQSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@H]1C ZINC001573392333 947946872 /nfs/dbraw/zinc/94/68/72/947946872.db2.gz AAGRQWOSYUCVKW-BDJLRTHQSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001573392339 947947188 /nfs/dbraw/zinc/94/71/88/947947188.db2.gz AAGRQWOSYUCVKW-MEDUHNTESA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001573392339 947947196 /nfs/dbraw/zinc/94/71/96/947947196.db2.gz AAGRQWOSYUCVKW-MEDUHNTESA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573392658 947951308 /nfs/dbraw/zinc/95/13/08/947951308.db2.gz DFJOHKZLMLJMGY-DYVFJYSZSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573392658 947951318 /nfs/dbraw/zinc/95/13/18/947951318.db2.gz DFJOHKZLMLJMGY-DYVFJYSZSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573392887 947952503 /nfs/dbraw/zinc/95/25/03/947952503.db2.gz HKYZMZMTOJRRCN-CYBMUJFWSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573392887 947952507 /nfs/dbraw/zinc/95/25/07/947952507.db2.gz HKYZMZMTOJRRCN-CYBMUJFWSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573394717 947966453 /nfs/dbraw/zinc/96/64/53/947966453.db2.gz VMYFPDKZKLEPPF-UHFFFAOYSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573394717 947966459 /nfs/dbraw/zinc/96/64/59/947966459.db2.gz VMYFPDKZKLEPPF-UHFFFAOYSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573394717 947966464 /nfs/dbraw/zinc/96/64/64/947966464.db2.gz VMYFPDKZKLEPPF-UHFFFAOYSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573394717 947966470 /nfs/dbraw/zinc/96/64/70/947966470.db2.gz VMYFPDKZKLEPPF-UHFFFAOYSA-N 0 3 385.472 0.768 20 0 GCADHN C[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573654659 947968037 /nfs/dbraw/zinc/96/80/37/947968037.db2.gz SIRXLJABCFVOMI-MLGOLLRUSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573654659 947968047 /nfs/dbraw/zinc/96/80/47/947968047.db2.gz SIRXLJABCFVOMI-MLGOLLRUSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573394804 947968538 /nfs/dbraw/zinc/96/85/38/947968538.db2.gz WGQRFIZJPZHZNV-ZDUSSCGKSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573394804 947968542 /nfs/dbraw/zinc/96/85/42/947968542.db2.gz WGQRFIZJPZHZNV-ZDUSSCGKSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573395257 947968564 /nfs/dbraw/zinc/96/85/64/947968564.db2.gz YADCQEQKLAKYAC-QGZVFWFLSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573395257 947968569 /nfs/dbraw/zinc/96/85/69/947968569.db2.gz YADCQEQKLAKYAC-QGZVFWFLSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573395152 947968615 /nfs/dbraw/zinc/96/86/15/947968615.db2.gz XIJUJLNMHDKXCI-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573395152 947968622 /nfs/dbraw/zinc/96/86/22/947968622.db2.gz XIJUJLNMHDKXCI-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573397862 947976055 /nfs/dbraw/zinc/97/60/55/947976055.db2.gz FFAARGNAWBCHOW-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573397862 947976060 /nfs/dbraw/zinc/97/60/60/947976060.db2.gz FFAARGNAWBCHOW-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573398197 947978383 /nfs/dbraw/zinc/97/83/83/947978383.db2.gz IFAZQPLVXLOHJE-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573398197 947978388 /nfs/dbraw/zinc/97/83/88/947978388.db2.gz IFAZQPLVXLOHJE-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@](C)(C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573398110 947978753 /nfs/dbraw/zinc/97/87/53/947978753.db2.gz GPXICTCBTKKQRQ-LJQANCHMSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@](C)(C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573398110 947978756 /nfs/dbraw/zinc/97/87/56/947978756.db2.gz GPXICTCBTKKQRQ-LJQANCHMSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573398298 947980514 /nfs/dbraw/zinc/98/05/14/947980514.db2.gz IWNWJKYMCXQVHC-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573398556 947984265 /nfs/dbraw/zinc/98/42/65/947984265.db2.gz MUZICIQRKYVTNO-LBPRGKRZSA-N 0 3 391.451 0.859 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573398556 947984271 /nfs/dbraw/zinc/98/42/71/947984271.db2.gz MUZICIQRKYVTNO-LBPRGKRZSA-N 0 3 391.451 0.859 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573401882 947999421 /nfs/dbraw/zinc/99/94/21/947999421.db2.gz FBLUPXGWKFZCBB-MRXNPFEDSA-N 0 3 391.451 0.715 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573401882 947999425 /nfs/dbraw/zinc/99/94/25/947999425.db2.gz FBLUPXGWKFZCBB-MRXNPFEDSA-N 0 3 391.451 0.715 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573402814 948006144 /nfs/dbraw/zinc/00/61/44/948006144.db2.gz IVGLSCBSCNVIJL-LLVKDONJSA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573402814 948006150 /nfs/dbraw/zinc/00/61/50/948006150.db2.gz IVGLSCBSCNVIJL-LLVKDONJSA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573404329 948022804 /nfs/dbraw/zinc/02/28/04/948022804.db2.gz RXTKFTGIHFHXND-HOCLYGCPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573404329 948022816 /nfs/dbraw/zinc/02/28/16/948022816.db2.gz RXTKFTGIHFHXND-HOCLYGCPSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573662320 948025512 /nfs/dbraw/zinc/02/55/12/948025512.db2.gz BMEBTXNZGBEDTD-ZOODHJKOSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573662320 948025520 /nfs/dbraw/zinc/02/55/20/948025520.db2.gz BMEBTXNZGBEDTD-ZOODHJKOSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NC1CC1)[N@H+](C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573663466 948036065 /nfs/dbraw/zinc/03/60/65/948036065.db2.gz MEBONUCYJVOXEL-LLVKDONJSA-N 0 3 386.460 0.398 20 0 GCADHN C[C@H](C(=O)NC1CC1)[N@@H+](C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573663466 948036075 /nfs/dbraw/zinc/03/60/75/948036075.db2.gz MEBONUCYJVOXEL-LLVKDONJSA-N 0 3 386.460 0.398 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573405139 948037624 /nfs/dbraw/zinc/03/76/24/948037624.db2.gz YWEVFMVDZNUUDN-MRXNPFEDSA-N 0 3 391.451 0.715 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573405139 948037630 /nfs/dbraw/zinc/03/76/30/948037630.db2.gz YWEVFMVDZNUUDN-MRXNPFEDSA-N 0 3 391.451 0.715 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573405474 948045211 /nfs/dbraw/zinc/04/52/11/948045211.db2.gz RWUOHAQROWDHCF-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573405474 948045221 /nfs/dbraw/zinc/04/52/21/948045221.db2.gz RWUOHAQROWDHCF-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN Cc1onc(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826346822 948045893 /nfs/dbraw/zinc/04/58/93/948045893.db2.gz WMCLRTNQTKPGLJ-OAHLLOKOSA-N 0 3 397.439 0.241 20 0 GCADHN Cc1onc(CC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826346822 948045901 /nfs/dbraw/zinc/04/59/01/948045901.db2.gz WMCLRTNQTKPGLJ-OAHLLOKOSA-N 0 3 397.439 0.241 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573405732 948047673 /nfs/dbraw/zinc/04/76/73/948047673.db2.gz VIRUBTFJYAKSPQ-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573405732 948047681 /nfs/dbraw/zinc/04/76/81/948047681.db2.gz VIRUBTFJYAKSPQ-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN Cc1onc(CC(=O)NCC2CC[NH+](CCN(C)C)CC2)c1-c1nnn[n-]1 ZINC000826347133 948050184 /nfs/dbraw/zinc/05/01/84/948050184.db2.gz GFMIPPKLULDOAK-UHFFFAOYSA-N 0 3 376.465 0.095 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573406528 948054183 /nfs/dbraw/zinc/05/41/83/948054183.db2.gz JBQATXKAUNKFES-BETUJISGSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573406528 948054193 /nfs/dbraw/zinc/05/41/93/948054193.db2.gz JBQATXKAUNKFES-BETUJISGSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573413608 948081074 /nfs/dbraw/zinc/08/10/74/948081074.db2.gz DMTQTFNYWJDNLN-YVEFUNNKSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573413608 948081082 /nfs/dbraw/zinc/08/10/82/948081082.db2.gz DMTQTFNYWJDNLN-YVEFUNNKSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C)C1 ZINC001573413812 948086799 /nfs/dbraw/zinc/08/67/99/948086799.db2.gz GUYGNXOIQUQADI-SJCJKPOMSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573414071 948089082 /nfs/dbraw/zinc/08/90/82/948089082.db2.gz JCFXUZVQGPCCAP-QGZVFWFLSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573414071 948089093 /nfs/dbraw/zinc/08/90/93/948089093.db2.gz JCFXUZVQGPCCAP-QGZVFWFLSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)CCC[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573415261 948105248 /nfs/dbraw/zinc/10/52/48/948105248.db2.gz QMLDAHIBFLHNFC-UHFFFAOYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)CCC[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573415261 948105252 /nfs/dbraw/zinc/10/52/52/948105252.db2.gz QMLDAHIBFLHNFC-UHFFFAOYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)CCC[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573415261 948105255 /nfs/dbraw/zinc/10/52/55/948105255.db2.gz QMLDAHIBFLHNFC-UHFFFAOYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)CCC[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573415261 948105258 /nfs/dbraw/zinc/10/52/58/948105258.db2.gz QMLDAHIBFLHNFC-UHFFFAOYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573672215 948109535 /nfs/dbraw/zinc/10/95/35/948109535.db2.gz IFLDYRBSBYPYIT-ZDUSSCGKSA-N 0 3 381.444 0.800 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573418535 948117227 /nfs/dbraw/zinc/11/72/27/948117227.db2.gz GTCPXNXSERBHJW-GHMZBOCLSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001573418975 948118930 /nfs/dbraw/zinc/11/89/30/948118930.db2.gz ILHLAWFLLYBLRR-KRWDZBQOSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001573418975 948118936 /nfs/dbraw/zinc/11/89/36/948118936.db2.gz ILHLAWFLLYBLRR-KRWDZBQOSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573419976 948132828 /nfs/dbraw/zinc/13/28/28/948132828.db2.gz XAOAWVGNNSGUPC-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573419976 948132832 /nfs/dbraw/zinc/13/28/32/948132832.db2.gz XAOAWVGNNSGUPC-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573419977 948133214 /nfs/dbraw/zinc/13/32/14/948133214.db2.gz XAOAWVGNNSGUPC-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573419977 948133219 /nfs/dbraw/zinc/13/32/19/948133219.db2.gz XAOAWVGNNSGUPC-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001573421110 948136705 /nfs/dbraw/zinc/13/67/05/948136705.db2.gz CMUMTKARPSMFPU-KRWDZBQOSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001573421110 948136708 /nfs/dbraw/zinc/13/67/08/948136708.db2.gz CMUMTKARPSMFPU-KRWDZBQOSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573421456 948138747 /nfs/dbraw/zinc/13/87/47/948138747.db2.gz GAMGEUQBAKVDNK-CZIWCDLHSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573421456 948138749 /nfs/dbraw/zinc/13/87/49/948138749.db2.gz GAMGEUQBAKVDNK-CZIWCDLHSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CCC2)C1 ZINC001573423847 948145070 /nfs/dbraw/zinc/14/50/70/948145070.db2.gz QGCHVUVWLJPHJJ-UHFFFAOYSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[n-]n3)CCC2)C1 ZINC001573423847 948145074 /nfs/dbraw/zinc/14/50/74/948145074.db2.gz QGCHVUVWLJPHJJ-UHFFFAOYSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573677990 948145571 /nfs/dbraw/zinc/14/55/71/948145571.db2.gz BTMGGLWOKKVDMV-ONGXEEELSA-N 0 3 386.378 0.864 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573426440 948156517 /nfs/dbraw/zinc/15/65/17/948156517.db2.gz KXYOUAHRGLXLDK-SNVBAGLBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573426440 948156526 /nfs/dbraw/zinc/15/65/26/948156526.db2.gz KXYOUAHRGLXLDK-SNVBAGLBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573429378 948171444 /nfs/dbraw/zinc/17/14/44/948171444.db2.gz HXKCVEDLHWTDTH-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573429378 948171447 /nfs/dbraw/zinc/17/14/47/948171447.db2.gz HXKCVEDLHWTDTH-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)n1cncn1 ZINC001573680828 948189603 /nfs/dbraw/zinc/18/96/03/948189603.db2.gz QKTZOFKMTBVBFJ-MLGOLLRUSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)n1cncn1 ZINC001573680828 948189607 /nfs/dbraw/zinc/18/96/07/948189607.db2.gz QKTZOFKMTBVBFJ-MLGOLLRUSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573692284 948261345 /nfs/dbraw/zinc/26/13/45/948261345.db2.gz NSRWVJLAVOQDFF-WFASDCNBSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573692284 948261353 /nfs/dbraw/zinc/26/13/53/948261353.db2.gz NSRWVJLAVOQDFF-WFASDCNBSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cccc1 ZINC001573692508 948265941 /nfs/dbraw/zinc/26/59/41/948265941.db2.gz PIBZVRAXJJBPNX-TZMCWYRMSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(F)(F)F ZINC001573693259 948278046 /nfs/dbraw/zinc/27/80/46/948278046.db2.gz SAOPOFYVDZEGTC-SCZZXKLOSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(F)(F)F ZINC001573693260 948279295 /nfs/dbraw/zinc/27/92/95/948279295.db2.gz SAOPOFYVDZEGTC-WCBMZHEXSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573694211 948292382 /nfs/dbraw/zinc/29/23/82/948292382.db2.gz BGLFPSPTPCHOKM-YGONEPDPSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573694211 948292388 /nfs/dbraw/zinc/29/23/88/948292388.db2.gz BGLFPSPTPCHOKM-YGONEPDPSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573695919 948311121 /nfs/dbraw/zinc/31/11/21/948311121.db2.gz YTNCAGAKVIQBAI-GUYCJALGSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573695919 948311131 /nfs/dbraw/zinc/31/11/31/948311131.db2.gz YTNCAGAKVIQBAI-GUYCJALGSA-N 0 3 381.440 0.632 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573445302 948323990 /nfs/dbraw/zinc/32/39/90/948323990.db2.gz ZTUDYABSEUPTOE-QGZVFWFLSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573445302 948324000 /nfs/dbraw/zinc/32/40/00/948324000.db2.gz ZTUDYABSEUPTOE-QGZVFWFLSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573447084 948339883 /nfs/dbraw/zinc/33/98/83/948339883.db2.gz UMOJMJYNORAHMK-MEDUHNTESA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C(=O)NCCC[NH2+]Cc1ccccc1-c1nnn[n-]1)N1C(=O)CCC1=O ZINC001573715402 948489877 /nfs/dbraw/zinc/48/98/77/948489877.db2.gz VPXJGNLFFAAAED-GFCCVEGCSA-N 0 3 385.428 0.000 20 0 GCADHN C[C@H](C(=O)NCCC[NH2+]Cc1ccccc1-c1nn[n-]n1)N1C(=O)CCC1=O ZINC001573715402 948489880 /nfs/dbraw/zinc/48/98/80/948489880.db2.gz VPXJGNLFFAAAED-GFCCVEGCSA-N 0 3 385.428 0.000 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573716577 948500797 /nfs/dbraw/zinc/50/07/97/948500797.db2.gz IGCRJCYCHVQWPJ-RYUDHWBXSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573716577 948500801 /nfs/dbraw/zinc/50/08/01/948500801.db2.gz IGCRJCYCHVQWPJ-RYUDHWBXSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573730171 948576830 /nfs/dbraw/zinc/57/68/30/948576830.db2.gz ZEFQUEKRHKDNLI-CORIIIEPSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)S(C)(=O)=O ZINC001573732782 948609618 /nfs/dbraw/zinc/60/96/18/948609618.db2.gz XTRWEXCJECGROB-VHSXEESVSA-N 0 3 384.437 0.033 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573741102 948651469 /nfs/dbraw/zinc/65/14/69/948651469.db2.gz XTRWEXCJECGROB-ZJUUUORDSA-N 0 3 384.437 0.033 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573745932 948675505 /nfs/dbraw/zinc/67/55/05/948675505.db2.gz GXNJQGMJAZNICD-YRGRVCCFSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573745932 948675513 /nfs/dbraw/zinc/67/55/13/948675513.db2.gz GXNJQGMJAZNICD-YRGRVCCFSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573746761 948683895 /nfs/dbraw/zinc/68/38/95/948683895.db2.gz KWOLSALRAXCBDX-KSYCFECVSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573746761 948683902 /nfs/dbraw/zinc/68/39/02/948683902.db2.gz KWOLSALRAXCBDX-KSYCFECVSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573748474 948696360 /nfs/dbraw/zinc/69/63/60/948696360.db2.gz UQDTXLGCXMSSDT-UXIGCNINSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573748474 948696365 /nfs/dbraw/zinc/69/63/65/948696365.db2.gz UQDTXLGCXMSSDT-UXIGCNINSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573749312 948699565 /nfs/dbraw/zinc/69/95/65/948699565.db2.gz YCOTUTKEGDARCL-KSYCFECVSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573749312 948699567 /nfs/dbraw/zinc/69/95/67/948699567.db2.gz YCOTUTKEGDARCL-KSYCFECVSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573749316 948699712 /nfs/dbraw/zinc/69/97/12/948699712.db2.gz YDKOTEYZZSLCTN-LEWSCRJBSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573749316 948699715 /nfs/dbraw/zinc/69/97/15/948699715.db2.gz YDKOTEYZZSLCTN-LEWSCRJBSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573753900 948722307 /nfs/dbraw/zinc/72/23/07/948722307.db2.gz YCOTUTKEGDARCL-VCOSZWKGSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573753900 948722309 /nfs/dbraw/zinc/72/23/09/948722309.db2.gz YCOTUTKEGDARCL-VCOSZWKGSA-N 0 3 383.456 0.518 20 0 GCADHN CC(C)(C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001573761639 948844591 /nfs/dbraw/zinc/84/45/91/948844591.db2.gz KEWGZMAJHTYOIA-CYBMUJFWSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574918766 948858408 /nfs/dbraw/zinc/85/84/08/948858408.db2.gz PZQCJANQSWLHKY-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574918766 948858429 /nfs/dbraw/zinc/85/84/29/948858429.db2.gz PZQCJANQSWLHKY-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCC1 ZINC001573763794 948875246 /nfs/dbraw/zinc/87/52/46/948875246.db2.gz IEBKCFMJIHUFDE-CYBMUJFWSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](CNC(=O)CCc1nccn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574920098 948884903 /nfs/dbraw/zinc/88/49/03/948884903.db2.gz CDNGPBPSJRUILS-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)c1nccn1CC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574431925 948928453 /nfs/dbraw/zinc/92/84/53/948928453.db2.gz FGUVCRWMDNYIGP-BETUJISGSA-N 0 3 381.444 0.763 20 0 GCADHN C[C@@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574923262 948943077 /nfs/dbraw/zinc/94/30/77/948943077.db2.gz INZDGCDBRBZADE-ZDUSSCGKSA-N 0 3 382.428 0.108 20 0 GCADHN C[C@@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574923262 948943087 /nfs/dbraw/zinc/94/30/87/948943087.db2.gz INZDGCDBRBZADE-ZDUSSCGKSA-N 0 3 382.428 0.108 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574434288 948980807 /nfs/dbraw/zinc/98/08/07/948980807.db2.gz GKZVPENTEHIGPX-LBPRGKRZSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574434288 948980816 /nfs/dbraw/zinc/98/08/16/948980816.db2.gz GKZVPENTEHIGPX-LBPRGKRZSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)(C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573773470 948987589 /nfs/dbraw/zinc/98/75/89/948987589.db2.gz CDRJHWGNRCWKBF-UHFFFAOYSA-N 0 3 392.485 0.428 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926363 948998271 /nfs/dbraw/zinc/99/82/71/948998271.db2.gz OKRRZITUBMPHJK-LBPRGKRZSA-N 0 3 389.435 0.613 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574926363 948998281 /nfs/dbraw/zinc/99/82/81/948998281.db2.gz OKRRZITUBMPHJK-LBPRGKRZSA-N 0 3 389.435 0.613 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)N1CCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574926612 949010486 /nfs/dbraw/zinc/01/04/86/949010486.db2.gz AXJAMVMPYJRXRG-ZDUSSCGKSA-N 0 3 386.460 0.266 20 0 GCADHN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574926780 949021391 /nfs/dbraw/zinc/02/13/91/949021391.db2.gz XJGVTIFOWIKAHO-GFCCVEGCSA-N 0 3 375.481 0.576 20 0 GCADHN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574926780 949021405 /nfs/dbraw/zinc/02/14/05/949021405.db2.gz XJGVTIFOWIKAHO-GFCCVEGCSA-N 0 3 375.481 0.576 20 0 GCADHN CC(C)(C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH+]1CCCC1 ZINC001573779276 949059372 /nfs/dbraw/zinc/05/93/72/949059372.db2.gz GCCYXFJLBLMRNB-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574928656 949060735 /nfs/dbraw/zinc/06/07/35/949060735.db2.gz PZSWVUREZSDVMU-ZDUSSCGKSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574928656 949060716 /nfs/dbraw/zinc/06/07/16/949060716.db2.gz PZSWVUREZSDVMU-ZDUSSCGKSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574928887 949063527 /nfs/dbraw/zinc/06/35/27/949063527.db2.gz SCLGELRNIZSGOL-SNVBAGLBSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574928887 949063548 /nfs/dbraw/zinc/06/35/48/949063548.db2.gz SCLGELRNIZSGOL-SNVBAGLBSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574929805 949101852 /nfs/dbraw/zinc/10/18/52/949101852.db2.gz HUFYLAYHPOXUDY-WCQYABFASA-N 0 3 378.408 0.406 20 0 GCADHN CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574093589 949110237 /nfs/dbraw/zinc/11/02/37/949110237.db2.gz WDILZUKAEKRYFJ-LSDHHAIUSA-N 0 3 384.488 0.792 20 0 GCADHN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)[NH+]1CCCC1 ZINC001573787156 949167663 /nfs/dbraw/zinc/16/76/63/949167663.db2.gz NLSNWBHPTXITDO-FICVDOATSA-N 0 3 382.472 0.687 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573787320 949175503 /nfs/dbraw/zinc/17/55/03/949175503.db2.gz SUYQTKJBRYUFEG-BETUJISGSA-N 0 3 392.485 0.427 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573787320 949175512 /nfs/dbraw/zinc/17/55/12/949175512.db2.gz SUYQTKJBRYUFEG-BETUJISGSA-N 0 3 392.485 0.427 20 0 GCADHN C[C@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574935002 949188707 /nfs/dbraw/zinc/18/87/07/949188707.db2.gz WQLZIFYBHOJSMQ-CYBMUJFWSA-N 0 3 384.444 0.411 20 0 GCADHN C[C@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574935002 949188722 /nfs/dbraw/zinc/18/87/22/949188722.db2.gz WQLZIFYBHOJSMQ-CYBMUJFWSA-N 0 3 384.444 0.411 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573788515 949196213 /nfs/dbraw/zinc/19/62/13/949196213.db2.gz LAENNBVGQZUBDQ-CQSZACIVSA-N 0 3 385.472 0.705 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573788515 949196223 /nfs/dbraw/zinc/19/62/23/949196223.db2.gz LAENNBVGQZUBDQ-CQSZACIVSA-N 0 3 385.472 0.705 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573788755 949211641 /nfs/dbraw/zinc/21/16/41/949211641.db2.gz WFWYSWOCXOWCOY-LBPRGKRZSA-N 0 3 375.408 0.208 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573788755 949211658 /nfs/dbraw/zinc/21/16/58/949211658.db2.gz WFWYSWOCXOWCOY-LBPRGKRZSA-N 0 3 375.408 0.208 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574451210 949220150 /nfs/dbraw/zinc/22/01/50/949220150.db2.gz HJRBXZLTLYTOFW-AWEZNQCLSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574451210 949220174 /nfs/dbraw/zinc/22/01/74/949220174.db2.gz HJRBXZLTLYTOFW-AWEZNQCLSA-N 0 3 385.428 0.859 20 0 GCADHN C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575255026 949222461 /nfs/dbraw/zinc/22/24/61/949222461.db2.gz OQTWWSCKOUIQSM-NSHDSACASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575255026 949222481 /nfs/dbraw/zinc/22/24/81/949222481.db2.gz OQTWWSCKOUIQSM-NSHDSACASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574702374 949276837 /nfs/dbraw/zinc/27/68/37/949276837.db2.gz HXBYMFMGLRVWTC-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574702374 949276858 /nfs/dbraw/zinc/27/68/58/949276858.db2.gz HXBYMFMGLRVWTC-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574941245 949300785 /nfs/dbraw/zinc/30/07/85/949300785.db2.gz CAHKEEIYEGMDED-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574941245 949300808 /nfs/dbraw/zinc/30/08/08/949300808.db2.gz CAHKEEIYEGMDED-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN CC(C)n1ccc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001574457399 949328894 /nfs/dbraw/zinc/32/88/94/949328894.db2.gz KGZDDVMTHGTIFL-NSHDSACASA-N 0 3 390.473 0.586 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704572 949392266 /nfs/dbraw/zinc/39/22/66/949392266.db2.gz DBEAWDXAASYJSJ-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704572 949392287 /nfs/dbraw/zinc/39/22/87/949392287.db2.gz DBEAWDXAASYJSJ-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN CC1(C(=O)N2CC[C@H](N3CCN(c4ccncc4-c4nn[nH]n4)CC3)C2)CC1 ZINC001575532876 949406679 /nfs/dbraw/zinc/40/66/79/949406679.db2.gz BZOMDMPKEFAZSG-AWEZNQCLSA-N 0 3 382.472 0.785 20 0 GCADHN CC(C)n1cnc(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001574464333 949408875 /nfs/dbraw/zinc/40/88/75/949408875.db2.gz LDMOUEYNCZZQHW-LLVKDONJSA-N 0 3 390.473 0.586 20 0 GCADHN C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575264404 949426552 /nfs/dbraw/zinc/42/65/52/949426552.db2.gz NZSNDFHVAPHDPP-LLVKDONJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575264404 949426566 /nfs/dbraw/zinc/42/65/66/949426566.db2.gz NZSNDFHVAPHDPP-LLVKDONJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575264611 949429205 /nfs/dbraw/zinc/42/92/05/949429205.db2.gz PHRJIAGCAQYUCF-LLVKDONJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CNC(=O)Cn1ccccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574947962 949456153 /nfs/dbraw/zinc/45/61/53/949456153.db2.gz GLZDPBRCWHDWTD-GFCCVEGCSA-N 0 3 385.403 0.462 20 0 GCADHN C[C@@H]1CCCC[C@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576156715 949459708 /nfs/dbraw/zinc/45/97/08/949459708.db2.gz OJNZJEGWMONNLX-KZULUSFZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574708262 949487391 /nfs/dbraw/zinc/48/73/91/949487391.db2.gz UVKHDPTVNDERGH-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574708262 949487398 /nfs/dbraw/zinc/48/73/98/949487398.db2.gz UVKHDPTVNDERGH-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574949330 949491225 /nfs/dbraw/zinc/49/12/25/949491225.db2.gz UGYIVNYEHWOSHU-GFCCVEGCSA-N 0 3 381.444 0.630 20 0 GCADHN C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574949330 949491238 /nfs/dbraw/zinc/49/12/38/949491238.db2.gz UGYIVNYEHWOSHU-GFCCVEGCSA-N 0 3 381.444 0.630 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573807953 949503683 /nfs/dbraw/zinc/50/36/83/949503683.db2.gz AWJMMOAWKLPHPT-AWEZNQCLSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574710714 949511782 /nfs/dbraw/zinc/51/17/82/949511782.db2.gz AJOXGQKXEPWVJV-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574710774 949515572 /nfs/dbraw/zinc/51/55/72/949515572.db2.gz BBWSYAPREYICEW-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574710774 949515587 /nfs/dbraw/zinc/51/55/87/949515587.db2.gz BBWSYAPREYICEW-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575268312 949516637 /nfs/dbraw/zinc/51/66/37/949516637.db2.gz NDPCNGWYZVCSKB-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575268312 949516653 /nfs/dbraw/zinc/51/66/53/949516653.db2.gz NDPCNGWYZVCSKB-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575268312 949516675 /nfs/dbraw/zinc/51/66/75/949516675.db2.gz NDPCNGWYZVCSKB-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575268312 949516694 /nfs/dbraw/zinc/51/66/94/949516694.db2.gz NDPCNGWYZVCSKB-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574710772 949517237 /nfs/dbraw/zinc/51/72/37/949517237.db2.gz BBWSYAPREYICEW-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574710772 949517246 /nfs/dbraw/zinc/51/72/46/949517246.db2.gz BBWSYAPREYICEW-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574710921 949517422 /nfs/dbraw/zinc/51/74/22/949517422.db2.gz CAWMGOAIQCDTGF-UONOGXRCSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574710921 949517434 /nfs/dbraw/zinc/51/74/34/949517434.db2.gz CAWMGOAIQCDTGF-UONOGXRCSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575268738 949528029 /nfs/dbraw/zinc/52/80/29/949528029.db2.gz ONICSDFJCCMMOC-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575268738 949528039 /nfs/dbraw/zinc/52/80/39/949528039.db2.gz ONICSDFJCCMMOC-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575268738 949528058 /nfs/dbraw/zinc/52/80/58/949528058.db2.gz ONICSDFJCCMMOC-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575268738 949528078 /nfs/dbraw/zinc/52/80/78/949528078.db2.gz ONICSDFJCCMMOC-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1COCCO1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711337 949531917 /nfs/dbraw/zinc/53/19/17/949531917.db2.gz GJEUFAXMRGSLJZ-NHYWBVRUSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1COCCO1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711337 949531934 /nfs/dbraw/zinc/53/19/34/949531934.db2.gz GJEUFAXMRGSLJZ-NHYWBVRUSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574711417 949538484 /nfs/dbraw/zinc/53/84/84/949538484.db2.gz GZDPOJAHVYPUGC-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574711417 949538503 /nfs/dbraw/zinc/53/85/03/949538503.db2.gz GZDPOJAHVYPUGC-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574472223 949547734 /nfs/dbraw/zinc/54/77/34/949547734.db2.gz SENSHNUUMZPSRO-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574472223 949547767 /nfs/dbraw/zinc/54/77/67/949547767.db2.gz SENSHNUUMZPSRO-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575269543 949556578 /nfs/dbraw/zinc/55/65/78/949556578.db2.gz VQFJOXWYCSKYHQ-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575269543 949556594 /nfs/dbraw/zinc/55/65/94/949556594.db2.gz VQFJOXWYCSKYHQ-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575269543 949556612 /nfs/dbraw/zinc/55/66/12/949556612.db2.gz VQFJOXWYCSKYHQ-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575269543 949556633 /nfs/dbraw/zinc/55/66/33/949556633.db2.gz VQFJOXWYCSKYHQ-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575269751 949563747 /nfs/dbraw/zinc/56/37/47/949563747.db2.gz WSJUODFLEPKSSO-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574712237 949573250 /nfs/dbraw/zinc/57/32/50/949573250.db2.gz QWMZHFDXRJRPGZ-ZANVPECISA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1COCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574712369 949574051 /nfs/dbraw/zinc/57/40/51/949574051.db2.gz RLGKGWLPIDMWIY-IAQYHMDHSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575270156 949575326 /nfs/dbraw/zinc/57/53/26/949575326.db2.gz BMVHUDWNLIHGHM-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575270156 949575343 /nfs/dbraw/zinc/57/53/43/949575343.db2.gz BMVHUDWNLIHGHM-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1COCCO1 ZINC001573810811 949579457 /nfs/dbraw/zinc/57/94/57/949579457.db2.gz DCHVVUSCHYTOEE-HOTGVXAUSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1COCCO1 ZINC001573810811 949579476 /nfs/dbraw/zinc/57/94/76/949579476.db2.gz DCHVVUSCHYTOEE-HOTGVXAUSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811337 949599653 /nfs/dbraw/zinc/59/96/53/949599653.db2.gz KLPKDYMLEIZEQI-GJZGRUSLSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811337 949599666 /nfs/dbraw/zinc/59/96/66/949599666.db2.gz KLPKDYMLEIZEQI-GJZGRUSLSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)Cn1ncnn1 ZINC001573811609 949604974 /nfs/dbraw/zinc/60/49/74/949604974.db2.gz MJZRBQWLGALSIB-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)Cn1ncnn1 ZINC001573811609 949604992 /nfs/dbraw/zinc/60/49/92/949604992.db2.gz MJZRBQWLGALSIB-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1COCCO1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574713568 949606151 /nfs/dbraw/zinc/60/61/51/949606151.db2.gz YBXJGHCQRFLURA-ABAIWWIYSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574957471 949613744 /nfs/dbraw/zinc/61/37/44/949613744.db2.gz YQMYEUFJEIPQRX-DOMZBBRYSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574957471 949613754 /nfs/dbraw/zinc/61/37/54/949613754.db2.gz YQMYEUFJEIPQRX-DOMZBBRYSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574957471 949613767 /nfs/dbraw/zinc/61/37/67/949613767.db2.gz YQMYEUFJEIPQRX-DOMZBBRYSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574957471 949613779 /nfs/dbraw/zinc/61/37/79/949613779.db2.gz YQMYEUFJEIPQRX-DOMZBBRYSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574713909 949618963 /nfs/dbraw/zinc/61/89/63/949618963.db2.gz ZIOIHWDPOMCENE-BLLLJJGKSA-N 0 3 391.451 0.273 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574713910 949620340 /nfs/dbraw/zinc/62/03/40/949620340.db2.gz ZIOIHWDPOMCENE-LRDDRELGSA-N 0 3 391.451 0.273 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1COCCO1 ZINC001573812815 949621308 /nfs/dbraw/zinc/62/13/08/949621308.db2.gz UVEPBQCQRPCXTL-CVEARBPZSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1COCCO1 ZINC001573812815 949621316 /nfs/dbraw/zinc/62/13/16/949621316.db2.gz UVEPBQCQRPCXTL-CVEARBPZSA-N 0 3 388.472 0.903 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576167955 949621376 /nfs/dbraw/zinc/62/13/76/949621376.db2.gz AOCFHRYFKNRWPI-IUODEOHRSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576167955 949621388 /nfs/dbraw/zinc/62/13/88/949621388.db2.gz AOCFHRYFKNRWPI-IUODEOHRSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874808 949621729 /nfs/dbraw/zinc/62/17/29/949621729.db2.gz HCNDURHPPDYXMD-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874808 949621741 /nfs/dbraw/zinc/62/17/41/949621741.db2.gz HCNDURHPPDYXMD-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575271817 949627945 /nfs/dbraw/zinc/62/79/45/949627945.db2.gz MPAFQQPWOZQGTB-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271817 949627956 /nfs/dbraw/zinc/62/79/56/949627956.db2.gz MPAFQQPWOZQGTB-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575271815 949629255 /nfs/dbraw/zinc/62/92/55/949629255.db2.gz MPAFQQPWOZQGTB-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271815 949629263 /nfs/dbraw/zinc/62/92/63/949629263.db2.gz MPAFQQPWOZQGTB-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574714554 949632702 /nfs/dbraw/zinc/63/27/02/949632702.db2.gz FHHZMMPXAXQVQP-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576168550 949645838 /nfs/dbraw/zinc/64/58/38/949645838.db2.gz BUZOVXAQHBFIIT-FPMFFAJLSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576168548 949646117 /nfs/dbraw/zinc/64/61/17/949646117.db2.gz BUZOVXAQHBFIIT-BNOWGMLFSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575273824 949673209 /nfs/dbraw/zinc/67/32/09/949673209.db2.gz YGGWJSQDDBNBJV-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575273824 949673226 /nfs/dbraw/zinc/67/32/26/949673226.db2.gz YGGWJSQDDBNBJV-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCC(=O)NC1 ZINC001575553569 949687325 /nfs/dbraw/zinc/68/73/25/949687325.db2.gz LTFUJCMHFNNPGK-KXBFYZLASA-N 0 3 383.456 0.474 20 0 GCADHN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCC(=O)NC1 ZINC001575553569 949687331 /nfs/dbraw/zinc/68/73/31/949687331.db2.gz LTFUJCMHFNNPGK-KXBFYZLASA-N 0 3 383.456 0.474 20 0 GCADHN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575553644 949688921 /nfs/dbraw/zinc/68/89/21/949688921.db2.gz NZFBMHWOHSGGNH-LIRRHRJNSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575553644 949688941 /nfs/dbraw/zinc/68/89/41/949688941.db2.gz NZFBMHWOHSGGNH-LIRRHRJNSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCC(=O)NC1 ZINC001575553568 949690419 /nfs/dbraw/zinc/69/04/19/949690419.db2.gz LTFUJCMHFNNPGK-HNAYVOBHSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCC(=O)NC1 ZINC001575553568 949690437 /nfs/dbraw/zinc/69/04/37/949690437.db2.gz LTFUJCMHFNNPGK-HNAYVOBHSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880542 949703482 /nfs/dbraw/zinc/70/34/82/949703482.db2.gz UFXINGLQIIXOIQ-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880542 949703494 /nfs/dbraw/zinc/70/34/94/949703494.db2.gz UFXINGLQIIXOIQ-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880540 949704772 /nfs/dbraw/zinc/70/47/72/949704772.db2.gz UFXINGLQIIXOIQ-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880540 949704786 /nfs/dbraw/zinc/70/47/86/949704786.db2.gz UFXINGLQIIXOIQ-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716881 949713514 /nfs/dbraw/zinc/71/35/14/949713514.db2.gz MFUDMHBJXWXOBY-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716881 949713529 /nfs/dbraw/zinc/71/35/29/949713529.db2.gz MFUDMHBJXWXOBY-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574959806 949717780 /nfs/dbraw/zinc/71/77/80/949717780.db2.gz UICNDUUMWGYLJQ-OAUYIBNBSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574959806 949717799 /nfs/dbraw/zinc/71/77/99/949717799.db2.gz UICNDUUMWGYLJQ-OAUYIBNBSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576170498 949719332 /nfs/dbraw/zinc/71/93/32/949719332.db2.gz LNCXCRKBLSQCSR-AVGNSLFASA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576170493 949719498 /nfs/dbraw/zinc/71/94/98/949719498.db2.gz LHYOABPLPJYKPF-WFASDCNBSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574717140 949729002 /nfs/dbraw/zinc/72/90/02/949729002.db2.gz UTBRIOJKMMHFMX-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574717140 949729016 /nfs/dbraw/zinc/72/90/16/949729016.db2.gz UTBRIOJKMMHFMX-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576171227 949757736 /nfs/dbraw/zinc/75/77/36/949757736.db2.gz PMWXKEGCWLJZBE-XHDPSFHLSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574718168 949766841 /nfs/dbraw/zinc/76/68/41/949766841.db2.gz YZYPHVSMFHPWAZ-CZUORRHYSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574718168 949766860 /nfs/dbraw/zinc/76/68/60/949766860.db2.gz YZYPHVSMFHPWAZ-CZUORRHYSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481154 949769310 /nfs/dbraw/zinc/76/93/10/949769310.db2.gz MUODLGHLHHRWLW-STQMWFEESA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481154 949769330 /nfs/dbraw/zinc/76/93/30/949769330.db2.gz MUODLGHLHHRWLW-STQMWFEESA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281019 949796559 /nfs/dbraw/zinc/79/65/59/949796559.db2.gz BPKZPCDCWFRLBB-GYSYKLTISA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281021 949798317 /nfs/dbraw/zinc/79/83/17/949798317.db2.gz BPKZPCDCWFRLBB-JTNHKYCSSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281020 949798518 /nfs/dbraw/zinc/79/85/18/949798518.db2.gz BPKZPCDCWFRLBB-IFQILLTASA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574481741 949799130 /nfs/dbraw/zinc/79/91/30/949799130.db2.gz URCPSSQMZQEXIQ-JSGCOSHPSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574481741 949799139 /nfs/dbraw/zinc/79/91/39/949799139.db2.gz URCPSSQMZQEXIQ-JSGCOSHPSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575281389 949809114 /nfs/dbraw/zinc/80/91/14/949809114.db2.gz FQBQFBVPLQLKRL-QWHCGFSZSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575281389 949809127 /nfs/dbraw/zinc/80/91/27/949809127.db2.gz FQBQFBVPLQLKRL-QWHCGFSZSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)NC(N)=O ZINC001574481883 949809177 /nfs/dbraw/zinc/80/91/77/949809177.db2.gz XAHJBJASZNXKKU-JQWIXIFHSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482005 949815010 /nfs/dbraw/zinc/81/50/10/949815010.db2.gz YMUXJTRNKZVUKF-ZYHUDNBSSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574482005 949815029 /nfs/dbraw/zinc/81/50/29/949815029.db2.gz YMUXJTRNKZVUKF-ZYHUDNBSSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482061 949820793 /nfs/dbraw/zinc/82/07/93/949820793.db2.gz ZXPXKAPAJCILGC-WFASDCNBSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482061 949820818 /nfs/dbraw/zinc/82/08/18/949820818.db2.gz ZXPXKAPAJCILGC-WFASDCNBSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574965921 949823105 /nfs/dbraw/zinc/82/31/05/949823105.db2.gz OUQAFNFZHXVRLP-QGHHPUGFSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574721842 949825457 /nfs/dbraw/zinc/82/54/57/949825457.db2.gz ONBJJMCTMDJHLI-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574721842 949825471 /nfs/dbraw/zinc/82/54/71/949825471.db2.gz ONBJJMCTMDJHLI-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001574967379 949872608 /nfs/dbraw/zinc/87/26/08/949872608.db2.gz HOQBDEYWOIZNCB-FZMZJTMJSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](NC(=O)C[NH2+][C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)C1CC1 ZINC001575283462 949872956 /nfs/dbraw/zinc/87/29/56/949872956.db2.gz PBZGPWSMCCSYRC-BMIGLBTASA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574724346 949874118 /nfs/dbraw/zinc/87/41/18/949874118.db2.gz HEIBKBHYNOQVTC-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143322 949891064 /nfs/dbraw/zinc/89/10/64/949891064.db2.gz GIWUVPNAECUJDB-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143322 949891088 /nfs/dbraw/zinc/89/10/88/949891088.db2.gz GIWUVPNAECUJDB-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143322 949891104 /nfs/dbraw/zinc/89/11/04/949891104.db2.gz GIWUVPNAECUJDB-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143322 949891126 /nfs/dbraw/zinc/89/11/26/949891126.db2.gz GIWUVPNAECUJDB-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1ccnn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574725303 949898224 /nfs/dbraw/zinc/89/82/24/949898224.db2.gz RIHUTUBUCBTTRM-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1ccnn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574725303 949898242 /nfs/dbraw/zinc/89/82/42/949898242.db2.gz RIHUTUBUCBTTRM-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1ccnn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574725918 949912551 /nfs/dbraw/zinc/91/25/51/949912551.db2.gz VXAGUJJGBJCJIC-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCOCC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574725847 949913141 /nfs/dbraw/zinc/91/31/41/949913141.db2.gz CTCSKZTVXJGRNG-CYBMUJFWSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574725870 949913518 /nfs/dbraw/zinc/91/35/18/949913518.db2.gz CUXUAAGYOWSHBQ-ZBFHGGJFSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574725870 949913536 /nfs/dbraw/zinc/91/35/36/949913536.db2.gz CUXUAAGYOWSHBQ-ZBFHGGJFSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1ccnn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574725916 949916009 /nfs/dbraw/zinc/91/60/09/949916009.db2.gz VXAGUJJGBJCJIC-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]CC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575284685 949916621 /nfs/dbraw/zinc/91/66/21/949916621.db2.gz VNUHYUKLYOYFBZ-CDWSIMAYSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]CC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284685 949916636 /nfs/dbraw/zinc/91/66/36/949916636.db2.gz VNUHYUKLYOYFBZ-CDWSIMAYSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574485218 949920813 /nfs/dbraw/zinc/92/08/13/949920813.db2.gz VDCMRMAPSHPSBQ-OCCSQVGLSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(N)=O ZINC001574485218 949920835 /nfs/dbraw/zinc/92/08/35/949920835.db2.gz VDCMRMAPSHPSBQ-OCCSQVGLSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574726000 949921212 /nfs/dbraw/zinc/92/12/12/949921212.db2.gz WPRULSKBHPFCCW-NSHDSACASA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574726000 949921231 /nfs/dbraw/zinc/92/12/31/949921231.db2.gz WPRULSKBHPFCCW-NSHDSACASA-N 0 3 388.411 0.019 20 0 GCADHN C[C@H](NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284940 949927046 /nfs/dbraw/zinc/92/70/46/949927046.db2.gz XEDUXXZQUWQEGJ-MJVIPROJSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575889588 949929702 /nfs/dbraw/zinc/92/97/02/949929702.db2.gz SQKVRQUMYXNNII-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575889588 949929720 /nfs/dbraw/zinc/92/97/20/949929720.db2.gz SQKVRQUMYXNNII-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575889590 949932773 /nfs/dbraw/zinc/93/27/73/949932773.db2.gz SQKVRQUMYXNNII-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575889590 949932790 /nfs/dbraw/zinc/93/27/90/949932790.db2.gz SQKVRQUMYXNNII-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCCC[NH+](C)C ZINC001575889539 949933655 /nfs/dbraw/zinc/93/36/55/949933655.db2.gz SGSWSHLJBYNMLX-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCCC[NH+](C)C ZINC001575889539 949933680 /nfs/dbraw/zinc/93/36/80/949933680.db2.gz SGSWSHLJBYNMLX-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574726341 949934656 /nfs/dbraw/zinc/93/46/56/949934656.db2.gz ZNFDZGORIHMELP-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574726341 949934672 /nfs/dbraw/zinc/93/46/72/949934672.db2.gz ZNFDZGORIHMELP-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574727040 949950202 /nfs/dbraw/zinc/95/02/02/949950202.db2.gz NZEGFJFKECFTRN-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574489331 949957705 /nfs/dbraw/zinc/95/77/05/949957705.db2.gz INQCKMKIQXUXAW-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574489331 949957721 /nfs/dbraw/zinc/95/77/21/949957721.db2.gz INQCKMKIQXUXAW-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576180571 949960140 /nfs/dbraw/zinc/96/01/40/949960140.db2.gz FGIFAPSQSKGTMX-CYBMUJFWSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576180571 949960163 /nfs/dbraw/zinc/96/01/63/949960163.db2.gz FGIFAPSQSKGTMX-CYBMUJFWSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574147982 949965882 /nfs/dbraw/zinc/96/58/82/949965882.db2.gz HZUXYFSLOMLXKY-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574147982 949965906 /nfs/dbraw/zinc/96/59/06/949965906.db2.gz HZUXYFSLOMLXKY-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574147982 949965931 /nfs/dbraw/zinc/96/59/31/949965931.db2.gz HZUXYFSLOMLXKY-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574147982 949965946 /nfs/dbraw/zinc/96/59/46/949965946.db2.gz HZUXYFSLOMLXKY-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576180580 949966742 /nfs/dbraw/zinc/96/67/42/949966742.db2.gz FIBWIOAFOFTDFO-ZDUSSCGKSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574489678 949970797 /nfs/dbraw/zinc/97/07/97/949970797.db2.gz KQCZPGDDTSGPPZ-TYNCELHUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574489678 949970813 /nfs/dbraw/zinc/97/08/13/949970813.db2.gz KQCZPGDDTSGPPZ-TYNCELHUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574727783 949986000 /nfs/dbraw/zinc/98/60/00/949986000.db2.gz ZNIGNDNCQLIHRD-JSGCOSHPSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574727783 949986012 /nfs/dbraw/zinc/98/60/12/949986012.db2.gz ZNIGNDNCQLIHRD-JSGCOSHPSA-N 0 3 392.435 0.748 20 0 GCADHN CC(C)C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574148479 949990209 /nfs/dbraw/zinc/99/02/09/949990209.db2.gz OCJGMRSYDMQUAS-ZDUSSCGKSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148479 949990227 /nfs/dbraw/zinc/99/02/27/949990227.db2.gz OCJGMRSYDMQUAS-ZDUSSCGKSA-N 0 3 376.465 0.407 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574728524 949992292 /nfs/dbraw/zinc/99/22/92/949992292.db2.gz BSGRTIPSWBSXNF-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574974702 949996498 /nfs/dbraw/zinc/99/64/98/949996498.db2.gz RYJWPHTULISGSH-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574974702 949996517 /nfs/dbraw/zinc/99/65/17/949996517.db2.gz RYJWPHTULISGSH-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1ncnn1 ZINC001574150238 950023676 /nfs/dbraw/zinc/02/36/76/950023676.db2.gz AQFZVUKOYHJOIX-OAHLLOKOSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1ncnn1 ZINC001574150238 950023696 /nfs/dbraw/zinc/02/36/96/950023696.db2.gz AQFZVUKOYHJOIX-OAHLLOKOSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574150338 950023812 /nfs/dbraw/zinc/02/38/12/950023812.db2.gz BJURXKQELVHNSB-LSDHHAIUSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574150338 950023835 /nfs/dbraw/zinc/02/38/35/950023835.db2.gz BJURXKQELVHNSB-LSDHHAIUSA-N 0 3 386.460 0.169 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575891726 950028804 /nfs/dbraw/zinc/02/88/04/950028804.db2.gz NEXLSFPBAXGOIF-NWDGAFQWSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575891726 950028828 /nfs/dbraw/zinc/02/88/28/950028828.db2.gz NEXLSFPBAXGOIF-NWDGAFQWSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575891727 950029855 /nfs/dbraw/zinc/02/98/55/950029855.db2.gz NEXLSFPBAXGOIF-RYUDHWBXSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575891727 950029875 /nfs/dbraw/zinc/02/98/75/950029875.db2.gz NEXLSFPBAXGOIF-RYUDHWBXSA-N 0 3 386.460 0.256 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574150387 950030811 /nfs/dbraw/zinc/03/08/11/950030811.db2.gz ZMWZDWMCMDJYOM-CHWSQXEVSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574150387 950030834 /nfs/dbraw/zinc/03/08/34/950030834.db2.gz ZMWZDWMCMDJYOM-CHWSQXEVSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574150387 950030862 /nfs/dbraw/zinc/03/08/62/950030862.db2.gz ZMWZDWMCMDJYOM-CHWSQXEVSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574150387 950030884 /nfs/dbraw/zinc/03/08/84/950030884.db2.gz ZMWZDWMCMDJYOM-CHWSQXEVSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150924 950047295 /nfs/dbraw/zinc/04/72/95/950047295.db2.gz HBYDTDUXDYALBK-WCQYABFASA-N 0 3 376.465 0.406 20 0 GCADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCCOC1 ZINC001575575281 950052127 /nfs/dbraw/zinc/05/21/27/950052127.db2.gz IDAYEDHARHZQBK-KDOFPFPSSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCCOC1 ZINC001575575281 950052152 /nfs/dbraw/zinc/05/21/52/950052152.db2.gz IDAYEDHARHZQBK-KDOFPFPSSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@@H](CC(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574491994 950057767 /nfs/dbraw/zinc/05/77/67/950057767.db2.gz HZZGTEXBUPLLGI-DCBWTQNWSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574491994 950057788 /nfs/dbraw/zinc/05/77/88/950057788.db2.gz HZZGTEXBUPLLGI-DCBWTQNWSA-N 0 3 386.460 0.298 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cnn(C)n1 ZINC001574151143 950060833 /nfs/dbraw/zinc/06/08/33/950060833.db2.gz LTKOUTORAUTVBE-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cnn(C)n1 ZINC001574151143 950060854 /nfs/dbraw/zinc/06/08/54/950060854.db2.gz LTKOUTORAUTVBE-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)[C@@H](C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCC1 ZINC001574976360 950071830 /nfs/dbraw/zinc/07/18/30/950071830.db2.gz RBRKGWZWNGLOPC-DOMZBBRYSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575576548 950072439 /nfs/dbraw/zinc/07/24/39/950072439.db2.gz QWOGUDGWKAQRIM-SCLBCKFNSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575576548 950072457 /nfs/dbraw/zinc/07/24/57/950072457.db2.gz QWOGUDGWKAQRIM-SCLBCKFNSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575892534 950077270 /nfs/dbraw/zinc/07/72/70/950077270.db2.gz XQWRXHNBIFQYOY-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575892534 950077292 /nfs/dbraw/zinc/07/72/92/950077292.db2.gz XQWRXHNBIFQYOY-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN CC(C)C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151477 950081897 /nfs/dbraw/zinc/08/18/97/950081897.db2.gz SOBMYBNZULMRBN-DGCLKSJQSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183294 950082601 /nfs/dbraw/zinc/08/26/01/950082601.db2.gz PCMMGIBMECAWLL-UONOGXRCSA-N 0 3 385.476 0.649 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1COCCO1 ZINC001574151529 950084559 /nfs/dbraw/zinc/08/45/59/950084559.db2.gz UMWRJKSIWBFGFI-IAGOWNOFSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1COCCO1 ZINC001574151529 950084583 /nfs/dbraw/zinc/08/45/83/950084583.db2.gz UMWRJKSIWBFGFI-IAGOWNOFSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1COCCO1 ZINC001574151528 950086938 /nfs/dbraw/zinc/08/69/38/950086938.db2.gz UMWRJKSIWBFGFI-DLBZAZTESA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1COCCO1 ZINC001574151528 950086966 /nfs/dbraw/zinc/08/69/66/950086966.db2.gz UMWRJKSIWBFGFI-DLBZAZTESA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574152596 950111604 /nfs/dbraw/zinc/11/16/04/950111604.db2.gz HECDDUUILUTZHS-GOEBONIOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574152596 950111616 /nfs/dbraw/zinc/11/16/16/950111616.db2.gz HECDDUUILUTZHS-GOEBONIOSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001574977121 950114517 /nfs/dbraw/zinc/11/45/17/950114517.db2.gz HOQDCICSRMQQSR-IAQYHMDHSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001574977121 950114536 /nfs/dbraw/zinc/11/45/36/950114536.db2.gz HOQDCICSRMQQSR-IAQYHMDHSA-N 0 3 387.419 0.645 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)Cn1cncn1 ZINC001574152842 950121263 /nfs/dbraw/zinc/12/12/63/950121263.db2.gz KMACZLMPROZICX-OAHLLOKOSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)Cn1cncn1 ZINC001574152842 950121274 /nfs/dbraw/zinc/12/12/74/950121274.db2.gz KMACZLMPROZICX-OAHLLOKOSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1ncn(C)n1 ZINC001574152882 950123497 /nfs/dbraw/zinc/12/34/97/950123497.db2.gz LEDOCQSWKIRVAL-CQSZACIVSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1ncn(C)n1 ZINC001574152882 950123513 /nfs/dbraw/zinc/12/35/13/950123513.db2.gz LEDOCQSWKIRVAL-CQSZACIVSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1cnnn1C ZINC001574153105 950127666 /nfs/dbraw/zinc/12/76/66/950127666.db2.gz MRXGJYDGNNQLEK-CQSZACIVSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1cnnn1C ZINC001574153105 950127677 /nfs/dbraw/zinc/12/76/77/950127677.db2.gz MRXGJYDGNNQLEK-CQSZACIVSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)Cn1ncnn1 ZINC001574153136 950132270 /nfs/dbraw/zinc/13/22/70/950132270.db2.gz NNYJMDAQWHRLSV-HNNXBMFYSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)Cn1ncnn1 ZINC001574153136 950132283 /nfs/dbraw/zinc/13/22/83/950132283.db2.gz NNYJMDAQWHRLSV-HNNXBMFYSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576184603 950134080 /nfs/dbraw/zinc/13/40/80/950134080.db2.gz WEDCHTCGILDANB-OCCSQVGLSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576184603 950134099 /nfs/dbraw/zinc/13/40/99/950134099.db2.gz WEDCHTCGILDANB-OCCSQVGLSA-N 0 3 388.476 0.361 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1cnnn1C ZINC001574153310 950139432 /nfs/dbraw/zinc/13/94/32/950139432.db2.gz RHZUMUNZXGLWPY-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1cnnn1C ZINC001574153310 950139444 /nfs/dbraw/zinc/13/94/44/950139444.db2.gz RHZUMUNZXGLWPY-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)[C@@H](CNC(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574493882 950140259 /nfs/dbraw/zinc/14/02/59/950140259.db2.gz IKBPTTFVTKNZAA-SWLSCSKDSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)[C@@H](CNC(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574493882 950140271 /nfs/dbraw/zinc/14/02/71/950140271.db2.gz IKBPTTFVTKNZAA-SWLSCSKDSA-N 0 3 388.476 0.544 20 0 GCADHN C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576184961 950152290 /nfs/dbraw/zinc/15/22/90/950152290.db2.gz ZAQHUDUPIWUSRW-OLZOCXBDSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]Cc1cnns1 ZINC001576190699 950167045 /nfs/dbraw/zinc/16/70/45/950167045.db2.gz DFRVMQFJCJBHRZ-CMPLNLGQSA-N 0 3 387.473 0.934 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]Cc1ccc2c(c1)nnn2C ZINC001574982583 950172978 /nfs/dbraw/zinc/17/29/78/950172978.db2.gz DVSUMPXGBNJQKE-JTQLQIEISA-N 0 3 380.416 0.385 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)NC(N)=O ZINC001574494673 950178067 /nfs/dbraw/zinc/17/80/67/950178067.db2.gz MOCJAYRONFJJAK-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)NC(N)=O ZINC001574494673 950178081 /nfs/dbraw/zinc/17/80/81/950178081.db2.gz MOCJAYRONFJJAK-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)NC(N)=O ZINC001574494825 950183060 /nfs/dbraw/zinc/18/30/60/950183060.db2.gz OYGATAGRGZZBMD-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)NC(N)=O ZINC001574494825 950183077 /nfs/dbraw/zinc/18/30/77/950183077.db2.gz OYGATAGRGZZBMD-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574739718 950207368 /nfs/dbraw/zinc/20/73/68/950207368.db2.gz WMLDQKQEILBVHU-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574739718 950207375 /nfs/dbraw/zinc/20/73/75/950207375.db2.gz WMLDQKQEILBVHU-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574739718 950207394 /nfs/dbraw/zinc/20/73/94/950207394.db2.gz WMLDQKQEILBVHU-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574739718 950207411 /nfs/dbraw/zinc/20/74/11/950207411.db2.gz WMLDQKQEILBVHU-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1ccnc1 ZINC001574496514 950215032 /nfs/dbraw/zinc/21/50/32/950215032.db2.gz XDVDBDLATIIRFN-NEPJUHHUSA-N 0 3 390.473 0.343 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574740018 950221746 /nfs/dbraw/zinc/22/17/46/950221746.db2.gz BAEKWALFQUFSPX-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cccc2c1OCCO2 ZINC001574983495 950222175 /nfs/dbraw/zinc/22/21/75/950222175.db2.gz PHBKHAFYXLSPLR-LLVKDONJSA-N 0 3 383.412 0.874 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983622 950229253 /nfs/dbraw/zinc/22/92/53/950229253.db2.gz QNXCMJQBHKTVBT-IUODEOHRSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983622 950229270 /nfs/dbraw/zinc/22/92/70/950229270.db2.gz QNXCMJQBHKTVBT-IUODEOHRSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H]1[C@H]([NH2+]CC(=O)N(C)CC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901470 950232841 /nfs/dbraw/zinc/23/28/41/950232841.db2.gz NYSOUVQBLFHNTB-BXUZGUMPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001576192323 950238647 /nfs/dbraw/zinc/23/86/47/950238647.db2.gz NIGFAXPVHYZPFQ-STQMWFEESA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001576192323 950238662 /nfs/dbraw/zinc/23/86/62/950238662.db2.gz NIGFAXPVHYZPFQ-STQMWFEESA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)Cn1ccnc1 ZINC001575901842 950240483 /nfs/dbraw/zinc/24/04/83/950240483.db2.gz QQQYPLUQNMJNTK-BLLLJJGKSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)Cn1ccnc1 ZINC001575901842 950240491 /nfs/dbraw/zinc/24/04/91/950240491.db2.gz QQQYPLUQNMJNTK-BLLLJJGKSA-N 0 3 384.419 0.982 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573845752 950240755 /nfs/dbraw/zinc/24/07/55/950240755.db2.gz KOYXDDOQCHNNPH-BJHJDKERSA-N 0 3 388.476 0.455 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574741548 950246682 /nfs/dbraw/zinc/24/66/82/950246682.db2.gz JCPDXJNWYUPAGV-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574741548 950246705 /nfs/dbraw/zinc/24/67/05/950246705.db2.gz JCPDXJNWYUPAGV-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cnnn1C ZINC001575901899 950248344 /nfs/dbraw/zinc/24/83/44/950248344.db2.gz RKMDJZANMBUCRW-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cnnn1C ZINC001575901899 950248364 /nfs/dbraw/zinc/24/83/64/950248364.db2.gz RKMDJZANMBUCRW-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575902085 950252766 /nfs/dbraw/zinc/25/27/66/950252766.db2.gz SEHAVKKOANHVDT-GXTWGEPZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576192607 950255078 /nfs/dbraw/zinc/25/50/78/950255078.db2.gz NZLCAJJOKIODJH-OCCSQVGLSA-N 0 3 381.444 0.873 20 0 GCADHN C[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576192607 950255096 /nfs/dbraw/zinc/25/50/96/950255096.db2.gz NZLCAJJOKIODJH-OCCSQVGLSA-N 0 3 381.444 0.873 20 0 GCADHN C[C@@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ncn(C)n1 ZINC001575902252 950256294 /nfs/dbraw/zinc/25/62/94/950256294.db2.gz UALIBGBKTVOZFU-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573849752 950257970 /nfs/dbraw/zinc/25/79/70/950257970.db2.gz AMKZCBNJVGPCGN-GFCCVEGCSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573849752 950257991 /nfs/dbraw/zinc/25/79/91/950257991.db2.gz AMKZCBNJVGPCGN-GFCCVEGCSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cn(C)nn1 ZINC001575902442 950258424 /nfs/dbraw/zinc/25/84/24/950258424.db2.gz UYQSWIKQKJUUJX-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573849886 950264753 /nfs/dbraw/zinc/26/47/53/950264753.db2.gz DYBBLUHYUFRAOB-WCQYABFASA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001576192888 950271235 /nfs/dbraw/zinc/27/12/35/950271235.db2.gz REPVHMDYYIKECG-AAEUAGOBSA-N 0 3 384.448 0.211 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C[NH2+]Cc1cnnn1C ZINC001576192888 950271257 /nfs/dbraw/zinc/27/12/57/950271257.db2.gz REPVHMDYYIKECG-AAEUAGOBSA-N 0 3 384.448 0.211 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]CC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573851211 950286787 /nfs/dbraw/zinc/28/67/87/950286787.db2.gz UWGDMSLREKGBDU-UHFFFAOYSA-N 0 3 388.476 0.742 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573851201 950288016 /nfs/dbraw/zinc/28/80/16/950288016.db2.gz UPIXHNRLXYQWGJ-WCQYABFASA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573851199 950289980 /nfs/dbraw/zinc/28/99/80/950289980.db2.gz UPIXHNRLXYQWGJ-DGCLKSJQSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574742593 950294572 /nfs/dbraw/zinc/29/45/72/950294572.db2.gz PNMYQHWXXQVUKY-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574742593 950294584 /nfs/dbraw/zinc/29/45/84/950294584.db2.gz PNMYQHWXXQVUKY-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574742593 950294597 /nfs/dbraw/zinc/29/45/97/950294597.db2.gz PNMYQHWXXQVUKY-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574742593 950294615 /nfs/dbraw/zinc/29/46/15/950294615.db2.gz PNMYQHWXXQVUKY-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC001574987630 950297101 /nfs/dbraw/zinc/29/71/01/950297101.db2.gz GLPZYWDZAMVDKS-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC001574987630 950297115 /nfs/dbraw/zinc/29/71/15/950297115.db2.gz GLPZYWDZAMVDKS-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC001574987630 950297125 /nfs/dbraw/zinc/29/71/25/950297125.db2.gz GLPZYWDZAMVDKS-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC001574987630 950297135 /nfs/dbraw/zinc/29/71/35/950297135.db2.gz GLPZYWDZAMVDKS-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573851569 950298181 /nfs/dbraw/zinc/29/81/81/950298181.db2.gz ZWQRKSHGWUNSEW-WCQYABFASA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574988011 950305967 /nfs/dbraw/zinc/30/59/67/950305967.db2.gz KKSLIJIRLBDYMJ-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574988011 950305988 /nfs/dbraw/zinc/30/59/88/950305988.db2.gz KKSLIJIRLBDYMJ-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574988011 950306008 /nfs/dbraw/zinc/30/60/08/950306008.db2.gz KKSLIJIRLBDYMJ-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574988011 950306028 /nfs/dbraw/zinc/30/60/28/950306028.db2.gz KKSLIJIRLBDYMJ-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CN1CCCC1=O ZINC001575906523 950317629 /nfs/dbraw/zinc/31/76/29/950317629.db2.gz ISXDVCDQIAXJBK-BBRMVZONSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CN1CCCC1=O ZINC001575906523 950317651 /nfs/dbraw/zinc/31/76/51/950317651.db2.gz ISXDVCDQIAXJBK-BBRMVZONSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)C1 ZINC001576194230 950329890 /nfs/dbraw/zinc/32/98/90/950329890.db2.gz XXHXMRGIEZWENF-WFASDCNBSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)C1 ZINC001576194230 950329910 /nfs/dbraw/zinc/32/99/10/950329910.db2.gz XXHXMRGIEZWENF-WFASDCNBSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575907373 950332335 /nfs/dbraw/zinc/33/23/35/950332335.db2.gz NRMZNPLQEWWFPH-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575907373 950332353 /nfs/dbraw/zinc/33/23/53/950332353.db2.gz NRMZNPLQEWWFPH-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)C1 ZINC001576194228 950334901 /nfs/dbraw/zinc/33/49/01/950334901.db2.gz XXHXMRGIEZWENF-IUODEOHRSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)C1 ZINC001576194228 950334922 /nfs/dbraw/zinc/33/49/22/950334922.db2.gz XXHXMRGIEZWENF-IUODEOHRSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575907375 950335875 /nfs/dbraw/zinc/33/58/75/950335875.db2.gz NRMZNPLQEWWFPH-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575907375 950335897 /nfs/dbraw/zinc/33/58/97/950335897.db2.gz NRMZNPLQEWWFPH-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573855166 950355476 /nfs/dbraw/zinc/35/54/76/950355476.db2.gz KIGZEZKKJOOLJG-UHFFFAOYSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001574989019 950355655 /nfs/dbraw/zinc/35/56/55/950355655.db2.gz XILNSWSWDDKQBV-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001574989019 950355669 /nfs/dbraw/zinc/35/56/69/950355669.db2.gz XILNSWSWDDKQBV-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cncn1 ZINC001575908265 950360582 /nfs/dbraw/zinc/36/05/82/950360582.db2.gz TWRVHXAAVJJYNA-IAQYHMDHSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cncn1 ZINC001575908265 950360596 /nfs/dbraw/zinc/36/05/96/950360596.db2.gz TWRVHXAAVJJYNA-IAQYHMDHSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1nccnc1N ZINC001575908486 950363985 /nfs/dbraw/zinc/36/39/85/950363985.db2.gz CGBQZTSJMWVCDK-BXUZGUMPSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1nccnc1N ZINC001575908486 950364005 /nfs/dbraw/zinc/36/40/05/950364005.db2.gz CGBQZTSJMWVCDK-BXUZGUMPSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)C1 ZINC001576196661 950366784 /nfs/dbraw/zinc/36/67/84/950366784.db2.gz FPVLUUHSIAAVCN-OCCSQVGLSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)C1 ZINC001576196661 950366805 /nfs/dbraw/zinc/36/68/05/950366805.db2.gz FPVLUUHSIAAVCN-OCCSQVGLSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ccnc1 ZINC001575908590 950371033 /nfs/dbraw/zinc/37/10/33/950371033.db2.gz VOTAGXNWVMMFEG-MLGOLLRUSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ccnc1 ZINC001575908590 950371049 /nfs/dbraw/zinc/37/10/49/950371049.db2.gz VOTAGXNWVMMFEG-MLGOLLRUSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576196756 950371960 /nfs/dbraw/zinc/37/19/60/950371960.db2.gz HFDAUVIMBGGLJT-ZDUSSCGKSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576196756 950371983 /nfs/dbraw/zinc/37/19/83/950371983.db2.gz HFDAUVIMBGGLJT-ZDUSSCGKSA-N 0 3 385.476 0.792 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@](C)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573855506 950378416 /nfs/dbraw/zinc/37/84/16/950378416.db2.gz WJQFEYSIMOSLEV-SFHVURJKSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576197444 950393943 /nfs/dbraw/zinc/39/39/43/950393943.db2.gz OAHJFQIZPVQXQU-UONOGXRCSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CCn1cc(Cl)cn1 ZINC001574746747 950397846 /nfs/dbraw/zinc/39/78/46/950397846.db2.gz OUTFRAVBIBYWIM-JTQLQIEISA-N 0 3 377.840 0.795 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CCn1cc(Cl)cn1 ZINC001574746747 950397867 /nfs/dbraw/zinc/39/78/67/950397867.db2.gz OUTFRAVBIBYWIM-JTQLQIEISA-N 0 3 377.840 0.795 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197945 950399390 /nfs/dbraw/zinc/39/93/90/950399390.db2.gz PUUVRQWVSUQYQQ-MELADBBJSA-N 0 3 383.460 0.178 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197945 950399410 /nfs/dbraw/zinc/39/94/10/950399410.db2.gz PUUVRQWVSUQYQQ-MELADBBJSA-N 0 3 383.460 0.178 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001575909564 950399948 /nfs/dbraw/zinc/39/99/48/950399948.db2.gz ZFSBWFSANVLNAI-KOLCDFICSA-N 0 3 388.457 0.760 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574746822 950400918 /nfs/dbraw/zinc/40/09/18/950400918.db2.gz PYGSGTBMCSARLZ-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574746822 950400925 /nfs/dbraw/zinc/40/09/25/950400925.db2.gz PYGSGTBMCSARLZ-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN CC1CC[NH+](CC(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576197934 950401218 /nfs/dbraw/zinc/40/12/18/950401218.db2.gz PSVPMEWCPVUHKO-AWEZNQCLSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575909618 950403587 /nfs/dbraw/zinc/40/35/87/950403587.db2.gz ZSXCBHFBDQANFU-ZCUWHYQZSA-N 0 3 386.431 0.977 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575909618 950403599 /nfs/dbraw/zinc/40/35/99/950403599.db2.gz ZSXCBHFBDQANFU-ZCUWHYQZSA-N 0 3 386.431 0.977 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575909617 950406142 /nfs/dbraw/zinc/40/61/42/950406142.db2.gz ZSXCBHFBDQANFU-ROUWPORVSA-N 0 3 386.431 0.977 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575909617 950406153 /nfs/dbraw/zinc/40/61/53/950406153.db2.gz ZSXCBHFBDQANFU-ROUWPORVSA-N 0 3 386.431 0.977 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503365 950406480 /nfs/dbraw/zinc/40/64/80/950406480.db2.gz UTIXYDWQPCMVIR-QWHCGFSZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503365 950406498 /nfs/dbraw/zinc/40/64/98/950406498.db2.gz UTIXYDWQPCMVIR-QWHCGFSZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503365 950406512 /nfs/dbraw/zinc/40/65/12/950406512.db2.gz UTIXYDWQPCMVIR-QWHCGFSZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503365 950406525 /nfs/dbraw/zinc/40/65/25/950406525.db2.gz UTIXYDWQPCMVIR-QWHCGFSZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576198375 950409878 /nfs/dbraw/zinc/40/98/78/950409878.db2.gz SGBCTMNQBNCTIM-GXTWGEPZSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576198375 950409891 /nfs/dbraw/zinc/40/98/91/950409891.db2.gz SGBCTMNQBNCTIM-GXTWGEPZSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576198412 950410215 /nfs/dbraw/zinc/41/02/15/950410215.db2.gz SMPNGXZLFFPQGG-MCIONIFRSA-N 0 3 383.460 0.178 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576198412 950410232 /nfs/dbraw/zinc/41/02/32/950410232.db2.gz SMPNGXZLFFPQGG-MCIONIFRSA-N 0 3 383.460 0.178 20 0 GCADHN C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576198462 950411024 /nfs/dbraw/zinc/41/10/24/950411024.db2.gz TUBZRSFXZSUSSA-KBPBESRZSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198910 950413653 /nfs/dbraw/zinc/41/36/53/950413653.db2.gz WLNHHMZOKKUWRO-KGLIPLIRSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198910 950413663 /nfs/dbraw/zinc/41/36/63/950413663.db2.gz WLNHHMZOKKUWRO-KGLIPLIRSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCn1cncn1 ZINC001575910625 950423857 /nfs/dbraw/zinc/42/38/57/950423857.db2.gz MNPLWAAZCISGRR-CJNGLKHVSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCn1cncn1 ZINC001575910625 950423871 /nfs/dbraw/zinc/42/38/71/950423871.db2.gz MNPLWAAZCISGRR-CJNGLKHVSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576199302 950426687 /nfs/dbraw/zinc/42/66/87/950426687.db2.gz YHHIXYGIIWDJGS-KBPBESRZSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576199302 950426700 /nfs/dbraw/zinc/42/67/00/950426700.db2.gz YHHIXYGIIWDJGS-KBPBESRZSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574992032 950427234 /nfs/dbraw/zinc/42/72/34/950427234.db2.gz VOQDUXTWIXYHRD-GFCCVEGCSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@H](C)NC(N)=O ZINC001574506433 950432157 /nfs/dbraw/zinc/43/21/57/950432157.db2.gz DJBAFMAZVIDPQF-UWVGGRQHSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576202895 950437597 /nfs/dbraw/zinc/43/75/97/950437597.db2.gz FDIJPDYSFGXPBJ-CYBMUJFWSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576202895 950437614 /nfs/dbraw/zinc/43/76/14/950437614.db2.gz FDIJPDYSFGXPBJ-CYBMUJFWSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576203274 950443780 /nfs/dbraw/zinc/44/37/80/950443780.db2.gz GEWBJTXWQIRJCS-KPZWWZAWSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576203274 950443789 /nfs/dbraw/zinc/44/37/89/950443789.db2.gz GEWBJTXWQIRJCS-KPZWWZAWSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001574992388 950445701 /nfs/dbraw/zinc/44/57/01/950445701.db2.gz BFDFNAZJUCBBGJ-IAQYHMDHSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001574992388 950445718 /nfs/dbraw/zinc/44/57/18/950445718.db2.gz BFDFNAZJUCBBGJ-IAQYHMDHSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)C1 ZINC001576203678 950449701 /nfs/dbraw/zinc/44/97/01/950449701.db2.gz IIASWORRGDFDLX-BFHYXJOUSA-N 0 3 385.476 0.505 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)C1 ZINC001576203678 950449714 /nfs/dbraw/zinc/44/97/14/950449714.db2.gz IIASWORRGDFDLX-BFHYXJOUSA-N 0 3 385.476 0.505 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576204478 950464333 /nfs/dbraw/zinc/46/43/33/950464333.db2.gz PADNREPKZXKAKK-SCRDCRAPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576204478 950464350 /nfs/dbraw/zinc/46/43/50/950464350.db2.gz PADNREPKZXKAKK-SCRDCRAPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)C1 ZINC001576204476 950465626 /nfs/dbraw/zinc/46/56/26/950465626.db2.gz PADNREPKZXKAKK-BZPMIXESSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)C1 ZINC001576204476 950465635 /nfs/dbraw/zinc/46/56/35/950465635.db2.gz PADNREPKZXKAKK-BZPMIXESSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1ccnn1 ZINC001575912220 950466261 /nfs/dbraw/zinc/46/62/61/950466261.db2.gz QQVXYDDFNQIIPI-BBRMVZONSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnn1 ZINC001575912220 950466271 /nfs/dbraw/zinc/46/62/71/950466271.db2.gz QQVXYDDFNQIIPI-BBRMVZONSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[NH+]1CCCCC1 ZINC001574752116 950474973 /nfs/dbraw/zinc/47/49/73/950474973.db2.gz TVXUDEVWQBWRQC-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[NH+]1CCCCC1 ZINC001574752116 950474982 /nfs/dbraw/zinc/47/49/82/950474982.db2.gz TVXUDEVWQBWRQC-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574752336 950476977 /nfs/dbraw/zinc/47/69/77/950476977.db2.gz BBHKVOAROSVQBL-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001574994433 950478955 /nfs/dbraw/zinc/47/89/55/950478955.db2.gz QYLUJHZCFDHIHN-CJNGLKHVSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001574994433 950478966 /nfs/dbraw/zinc/47/89/66/950478966.db2.gz QYLUJHZCFDHIHN-CJNGLKHVSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCS(C)(=O)=O ZINC001575913871 950486736 /nfs/dbraw/zinc/48/67/36/950486736.db2.gz UNBAPZXYPHOLQF-IUODEOHRSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575913871 950486741 /nfs/dbraw/zinc/48/67/41/950486741.db2.gz UNBAPZXYPHOLQF-IUODEOHRSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574752557 950489632 /nfs/dbraw/zinc/48/96/32/950489632.db2.gz DATAXXVPBXLGQE-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574752557 950489646 /nfs/dbraw/zinc/48/96/46/950489646.db2.gz DATAXXVPBXLGQE-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN CC(C)(C)OCC(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573863952 950494516 /nfs/dbraw/zinc/49/45/16/950494516.db2.gz UUYQPHGZZCRRBX-UHFFFAOYSA-N 0 3 376.461 0.592 20 0 GCADHN CC(C)(C)OCC(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573863952 950494529 /nfs/dbraw/zinc/49/45/29/950494529.db2.gz UUYQPHGZZCRRBX-UHFFFAOYSA-N 0 3 376.461 0.592 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CN1CCCC1=O ZINC001575914487 950496034 /nfs/dbraw/zinc/49/60/34/950496034.db2.gz UWEBQVASFSCICC-CJNGLKHVSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CN1CCCC1=O ZINC001575914487 950496048 /nfs/dbraw/zinc/49/60/48/950496048.db2.gz UWEBQVASFSCICC-CJNGLKHVSA-N 0 3 383.456 0.568 20 0 GCADHN CC(C)(C)OCC(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573866678 950508742 /nfs/dbraw/zinc/50/87/42/950508742.db2.gz IMPLQUAGDYTXAQ-INIZCTEOSA-N 0 3 388.472 0.999 20 0 GCADHN CC(C)(C)OCC(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573866678 950508755 /nfs/dbraw/zinc/50/87/55/950508755.db2.gz IMPLQUAGDYTXAQ-INIZCTEOSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576205486 950517496 /nfs/dbraw/zinc/51/74/96/950517496.db2.gz ZDDPWAPHNKCEOL-CYBMUJFWSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576205486 950517514 /nfs/dbraw/zinc/51/75/14/950517514.db2.gz ZDDPWAPHNKCEOL-CYBMUJFWSA-N 0 3 385.476 0.474 20 0 GCADHN CC(C)(C)OCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573867352 950534559 /nfs/dbraw/zinc/53/45/59/950534559.db2.gz XDQWXNLMHKKDSG-HNNXBMFYSA-N 0 3 388.472 0.999 20 0 GCADHN CC(C)(C)OCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573867352 950534575 /nfs/dbraw/zinc/53/45/75/950534575.db2.gz XDQWXNLMHKKDSG-HNNXBMFYSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574998818 950558991 /nfs/dbraw/zinc/55/89/91/950558991.db2.gz AVKDFXDTZHUAOI-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574998818 950559011 /nfs/dbraw/zinc/55/90/11/950559011.db2.gz AVKDFXDTZHUAOI-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@@H](C)NC(N)=O ZINC001574512822 950586149 /nfs/dbraw/zinc/58/61/49/950586149.db2.gz DJBAFMAZVIDPQF-NXEZZACHSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576209027 950623056 /nfs/dbraw/zinc/62/30/56/950623056.db2.gz YKNHITJNWQSSKR-MGPQQGTHSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576209027 950623065 /nfs/dbraw/zinc/62/30/65/950623065.db2.gz YKNHITJNWQSSKR-MGPQQGTHSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574516362 950638053 /nfs/dbraw/zinc/63/80/53/950638053.db2.gz HZZGTEXBUPLLGI-OBJOEFQTSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574516362 950638060 /nfs/dbraw/zinc/63/80/60/950638060.db2.gz HZZGTEXBUPLLGI-OBJOEFQTSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576213691 950639673 /nfs/dbraw/zinc/63/96/73/950639673.db2.gz GQMGKUUWAXMEOZ-CXTNEJHOSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576213691 950639688 /nfs/dbraw/zinc/63/96/88/950639688.db2.gz GQMGKUUWAXMEOZ-CXTNEJHOSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncn1C ZINC001575926776 950722805 /nfs/dbraw/zinc/72/28/05/950722805.db2.gz LVWSNIQFZGYPDG-SWLSCSKDSA-N 0 3 381.444 0.451 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)Cn1ncnn1 ZINC001574520928 950758476 /nfs/dbraw/zinc/75/84/76/950758476.db2.gz BFEBHGWDGXQWTM-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001575008875 950760864 /nfs/dbraw/zinc/76/08/64/950760864.db2.gz JMDCNOFMEWPQAK-IAQYHMDHSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001575008881 950762505 /nfs/dbraw/zinc/76/25/05/950762505.db2.gz JOSGDEAGCMIFRU-WDEREUQCSA-N 0 3 376.465 0.454 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)Cn1ncnn1 ZINC001574521099 950769566 /nfs/dbraw/zinc/76/95/66/950769566.db2.gz DCKSHTYLVCNOLD-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)Cn1ncnn1 ZINC001574521099 950769591 /nfs/dbraw/zinc/76/95/91/950769591.db2.gz DCKSHTYLVCNOLD-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCn1cnnn1 ZINC001574521211 950770340 /nfs/dbraw/zinc/77/03/40/950770340.db2.gz DDXAKEDYKGXFAR-CHWSQXEVSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCn1cnnn1 ZINC001574521211 950770351 /nfs/dbraw/zinc/77/03/51/950770351.db2.gz DDXAKEDYKGXFAR-CHWSQXEVSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)Cn1ncnn1 ZINC001574521103 950772032 /nfs/dbraw/zinc/77/20/32/950772032.db2.gz DCUBOWWRJPUERY-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)Cn1ncnn1 ZINC001574521103 950772045 /nfs/dbraw/zinc/77/20/45/950772045.db2.gz DCUBOWWRJPUERY-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)Cn1ncnn1 ZINC001574521102 950772327 /nfs/dbraw/zinc/77/23/27/950772327.db2.gz DCUBOWWRJPUERY-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)Cn1ncnn1 ZINC001574521102 950772336 /nfs/dbraw/zinc/77/23/36/950772336.db2.gz DCUBOWWRJPUERY-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575009241 950779666 /nfs/dbraw/zinc/77/96/66/950779666.db2.gz QQUVGNLPRGABSG-WCQYABFASA-N 0 3 386.460 0.019 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575009241 950779678 /nfs/dbraw/zinc/77/96/78/950779678.db2.gz QQUVGNLPRGABSG-WCQYABFASA-N 0 3 386.460 0.019 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)CCNC(N)=O ZINC001574522127 950789590 /nfs/dbraw/zinc/78/95/90/950789590.db2.gz IJFJEPCOAJDEOC-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)CCNC(N)=O ZINC001574522127 950789609 /nfs/dbraw/zinc/78/96/09/950789609.db2.gz IJFJEPCOAJDEOC-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)C12CCC[NH+]1CCC2 ZINC001575009941 950802460 /nfs/dbraw/zinc/80/24/60/950802460.db2.gz YXTUKELZMBJVNR-LBPRGKRZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1ccnn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574523693 950823005 /nfs/dbraw/zinc/82/30/05/950823005.db2.gz PMNRMVFHLJFEMX-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1ccnn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574523693 950823034 /nfs/dbraw/zinc/82/30/34/950823034.db2.gz PMNRMVFHLJFEMX-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CCn1cncn1 ZINC001574523844 950834344 /nfs/dbraw/zinc/83/43/44/950834344.db2.gz REHXVHFKXFZBHV-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CCn1cncn1 ZINC001574523844 950834370 /nfs/dbraw/zinc/83/43/70/950834370.db2.gz REHXVHFKXFZBHV-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCn1ccnn1 ZINC001574523968 950837769 /nfs/dbraw/zinc/83/77/69/950837769.db2.gz SQXFABOAHZFAQO-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCn1ccnn1 ZINC001574523968 950837806 /nfs/dbraw/zinc/83/78/06/950837806.db2.gz SQXFABOAHZFAQO-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)Cn1cncn1 ZINC001574524157 950844822 /nfs/dbraw/zinc/84/48/22/950844822.db2.gz UENULDPPEQYPML-RYUDHWBXSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)Cn1cncn1 ZINC001574524157 950844836 /nfs/dbraw/zinc/84/48/36/950844836.db2.gz UENULDPPEQYPML-RYUDHWBXSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CCn1cncn1 ZINC001574524402 950857938 /nfs/dbraw/zinc/85/79/38/950857938.db2.gz WFTFVAGUWZMLDW-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CCn1cncn1 ZINC001574524402 950857957 /nfs/dbraw/zinc/85/79/57/950857957.db2.gz WFTFVAGUWZMLDW-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)Cn1ncnn1 ZINC001574524491 950862225 /nfs/dbraw/zinc/86/22/25/950862225.db2.gz XINJMIVSMWQEBZ-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)Cn1ncnn1 ZINC001574524491 950862239 /nfs/dbraw/zinc/86/22/39/950862239.db2.gz XINJMIVSMWQEBZ-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1nc[nH]n1 ZINC001574524717 950871022 /nfs/dbraw/zinc/87/10/22/950871022.db2.gz YVDVXEQHGJKHOU-UWVGGRQHSA-N 0 3 375.462 0.662 20 0 GCADHN C[C@H](C[N@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768009 950880841 /nfs/dbraw/zinc/88/08/41/950880841.db2.gz SMSQZJFTTHIWLP-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768009 950880855 /nfs/dbraw/zinc/88/08/55/950880855.db2.gz SMSQZJFTTHIWLP-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[N@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768008 950881928 /nfs/dbraw/zinc/88/19/28/950881928.db2.gz SMSQZJFTTHIWLP-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768008 950881946 /nfs/dbraw/zinc/88/19/46/950881946.db2.gz SMSQZJFTTHIWLP-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1nccnc1N ZINC001574527435 950885371 /nfs/dbraw/zinc/88/53/71/950885371.db2.gz BPJKESUSOVURJP-VXGBXAGGSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1nccnc1N ZINC001574527435 950885384 /nfs/dbraw/zinc/88/53/84/950885384.db2.gz BPJKESUSOVURJP-VXGBXAGGSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527392 950886483 /nfs/dbraw/zinc/88/64/83/950886483.db2.gz BCKAHCSCMIUDRY-VXGBXAGGSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527392 950886503 /nfs/dbraw/zinc/88/65/03/950886503.db2.gz BCKAHCSCMIUDRY-VXGBXAGGSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574527481 950889511 /nfs/dbraw/zinc/88/95/11/950889511.db2.gz CFIRIXYGWGVEFW-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnn(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001574527481 950889523 /nfs/dbraw/zinc/88/95/23/950889523.db2.gz CFIRIXYGWGVEFW-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cnn(C)c1N ZINC001574527479 950891286 /nfs/dbraw/zinc/89/12/86/950891286.db2.gz CERWZDCOJVAJHW-VXGBXAGGSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cnn(C)c1N ZINC001574527479 950891304 /nfs/dbraw/zinc/89/13/04/950891304.db2.gz CERWZDCOJVAJHW-VXGBXAGGSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576227089 950903038 /nfs/dbraw/zinc/90/30/38/950903038.db2.gz BITNPRTXVGLYDX-QWHCGFSZSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCC[NH+]1CCCCC1 ZINC001575015161 950925098 /nfs/dbraw/zinc/92/50/98/950925098.db2.gz MWYWGLQLIUOPIB-ZDUSSCGKSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCC[NH+]1CCCCC1 ZINC001575015161 950925117 /nfs/dbraw/zinc/92/51/17/950925117.db2.gz MWYWGLQLIUOPIB-ZDUSSCGKSA-N 0 3 388.476 0.695 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575015168 950925992 /nfs/dbraw/zinc/92/59/92/950925992.db2.gz NCBFIUWIQREFBN-CHWSQXEVSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575015168 950926013 /nfs/dbraw/zinc/92/60/13/950926013.db2.gz NCBFIUWIQREFBN-CHWSQXEVSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575015168 950926030 /nfs/dbraw/zinc/92/60/30/950926030.db2.gz NCBFIUWIQREFBN-CHWSQXEVSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575015168 950926048 /nfs/dbraw/zinc/92/60/48/950926048.db2.gz NCBFIUWIQREFBN-CHWSQXEVSA-N 0 3 388.476 0.692 20 0 GCADHN CC1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575937379 950945289 /nfs/dbraw/zinc/94/52/89/950945289.db2.gz FCBBNJKHGGFSKB-UBHUBRDASA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)c1cn(C)nn1 ZINC001574529992 950963258 /nfs/dbraw/zinc/96/32/58/950963258.db2.gz SDJRGCPLHIUOAV-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)c1cn(C)nn1 ZINC001574529992 950963270 /nfs/dbraw/zinc/96/32/70/950963270.db2.gz SDJRGCPLHIUOAV-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574529864 950963713 /nfs/dbraw/zinc/96/37/13/950963713.db2.gz ATIDYDDQJZGJOS-NEPJUHHUSA-N 0 3 382.428 0.637 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574529864 950963728 /nfs/dbraw/zinc/96/37/28/950963728.db2.gz ATIDYDDQJZGJOS-NEPJUHHUSA-N 0 3 382.428 0.637 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)c1cnn(C)n1 ZINC001574529988 950966088 /nfs/dbraw/zinc/96/60/88/950966088.db2.gz SBEJYZJGPJOBAN-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cn(C)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574529990 950966449 /nfs/dbraw/zinc/96/64/49/950966449.db2.gz SDJRGCPLHIUOAV-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cn(C)nn1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574529990 950966463 /nfs/dbraw/zinc/96/64/63/950966463.db2.gz SDJRGCPLHIUOAV-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530342 950978092 /nfs/dbraw/zinc/97/80/92/950978092.db2.gz BVNMAUGJAHHIJH-NWDGAFQWSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530342 950978109 /nfs/dbraw/zinc/97/81/09/950978109.db2.gz BVNMAUGJAHHIJH-NWDGAFQWSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574530653 950991129 /nfs/dbraw/zinc/99/11/29/950991129.db2.gz DCNKMHADQXPVQW-VXGBXAGGSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530653 950991142 /nfs/dbraw/zinc/99/11/42/950991142.db2.gz DCNKMHADQXPVQW-VXGBXAGGSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001575017510 950998400 /nfs/dbraw/zinc/99/84/00/950998400.db2.gz KYNXDIWFLUFJBX-RISCZKNCSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001575017510 950998408 /nfs/dbraw/zinc/99/84/08/950998408.db2.gz KYNXDIWFLUFJBX-RISCZKNCSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575018114 951016548 /nfs/dbraw/zinc/01/65/48/951016548.db2.gz KUBDXMFSMSGCEN-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575018114 951016561 /nfs/dbraw/zinc/01/65/61/951016561.db2.gz KUBDXMFSMSGCEN-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575034711 951253839 /nfs/dbraw/zinc/25/38/39/951253839.db2.gz CGFSFZWWVRYVQF-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575034711 951253852 /nfs/dbraw/zinc/25/38/52/951253852.db2.gz CGFSFZWWVRYVQF-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575035529 951276820 /nfs/dbraw/zinc/27/68/20/951276820.db2.gz JYHPTWFHJRNVGJ-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575035529 951276832 /nfs/dbraw/zinc/27/68/32/951276832.db2.gz JYHPTWFHJRNVGJ-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575039698 951334209 /nfs/dbraw/zinc/33/42/09/951334209.db2.gz RVRYPVDZVLLPJH-NSHDSACASA-N 0 3 383.412 0.396 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575041939 951352453 /nfs/dbraw/zinc/35/24/53/951352453.db2.gz DHLLXEUKOSQENI-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575041939 951352468 /nfs/dbraw/zinc/35/24/68/951352468.db2.gz DHLLXEUKOSQENI-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575041939 951352482 /nfs/dbraw/zinc/35/24/82/951352482.db2.gz DHLLXEUKOSQENI-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575041939 951352493 /nfs/dbraw/zinc/35/24/93/951352493.db2.gz DHLLXEUKOSQENI-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575043661 951399862 /nfs/dbraw/zinc/39/98/62/951399862.db2.gz LLRNLASIMFUWIV-LBPRGKRZSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575043658 951400913 /nfs/dbraw/zinc/40/09/13/951400913.db2.gz LLRNLASIMFUWIV-GFCCVEGCSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575055455 951505579 /nfs/dbraw/zinc/50/55/79/951505579.db2.gz UTLHRIHQJWWKIZ-GFCCVEGCSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575055455 951505585 /nfs/dbraw/zinc/50/55/85/951505585.db2.gz UTLHRIHQJWWKIZ-GFCCVEGCSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@@H](CNC(=O)c1noc2c1COCC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575064847 951578416 /nfs/dbraw/zinc/57/84/16/951578416.db2.gz DUAQEVKDYXDFAF-NSHDSACASA-N 0 3 383.412 0.836 20 0 GCADHN C[C@@H](CNC(=O)c1noc2c1COCC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575064847 951578425 /nfs/dbraw/zinc/57/84/25/951578425.db2.gz DUAQEVKDYXDFAF-NSHDSACASA-N 0 3 383.412 0.836 20 0 GCADHN C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575067279 951606521 /nfs/dbraw/zinc/60/65/21/951606521.db2.gz QCYCXJBWBKIOKX-NSHDSACASA-N 0 3 384.448 0.516 20 0 GCADHN C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575067278 951607467 /nfs/dbraw/zinc/60/74/67/951607467.db2.gz QCYCXJBWBKIOKX-LLVKDONJSA-N 0 3 384.448 0.516 20 0 GCADHN CC(C)[C@H](C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575071029 951655296 /nfs/dbraw/zinc/65/52/96/951655296.db2.gz XFIOHLAEYHCBDI-RYUDHWBXSA-N 0 3 376.465 0.311 20 0 GCADHN C[C@](C[NH2+]CCNC(=O)C1CC1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575077148 951663142 /nfs/dbraw/zinc/66/31/42/951663142.db2.gz DHWSTISJNZPOKF-GOSISDBHSA-N 0 3 386.460 0.209 20 0 GCADHN C[C@](C[NH2+]CCNC(=O)C1CC1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575077148 951663149 /nfs/dbraw/zinc/66/31/49/951663149.db2.gz DHWSTISJNZPOKF-GOSISDBHSA-N 0 3 386.460 0.209 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575077314 951665526 /nfs/dbraw/zinc/66/55/26/951665526.db2.gz FOVWTASUVXWBHW-BBRMVZONSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575077314 951665530 /nfs/dbraw/zinc/66/55/30/951665530.db2.gz FOVWTASUVXWBHW-BBRMVZONSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077575 951670691 /nfs/dbraw/zinc/67/06/91/951670691.db2.gz GWVFDKDHCWMQED-SNVBAGLBSA-N 0 3 388.407 0.601 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077575 951670694 /nfs/dbraw/zinc/67/06/94/951670694.db2.gz GWVFDKDHCWMQED-SNVBAGLBSA-N 0 3 388.407 0.601 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]Cc1cc(CO)ccc1F ZINC001575077570 951670826 /nfs/dbraw/zinc/67/08/26/951670826.db2.gz GULMOOVQEMLCFF-NSHDSACASA-N 0 3 387.419 0.982 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]Cc1cc(CO)ccc1F ZINC001575077570 951670829 /nfs/dbraw/zinc/67/08/29/951670829.db2.gz GULMOOVQEMLCFF-NSHDSACASA-N 0 3 387.419 0.982 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077579 951671583 /nfs/dbraw/zinc/67/15/83/951671583.db2.gz GXVJNYHEXGXURK-NWDGAFQWSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077579 951671588 /nfs/dbraw/zinc/67/15/88/951671588.db2.gz GXVJNYHEXGXURK-NWDGAFQWSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575077663 951672965 /nfs/dbraw/zinc/67/29/65/951672965.db2.gz HWNSRRJRGKLBOK-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575077663 951672970 /nfs/dbraw/zinc/67/29/70/951672970.db2.gz HWNSRRJRGKLBOK-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077869 951676122 /nfs/dbraw/zinc/67/61/22/951676122.db2.gz JCUDTZCUBHJMSV-WDEREUQCSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077869 951676124 /nfs/dbraw/zinc/67/61/24/951676124.db2.gz JCUDTZCUBHJMSV-WDEREUQCSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077871 951676498 /nfs/dbraw/zinc/67/64/98/951676498.db2.gz JDMFOCDTHAOUQC-DGCLKSJQSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077871 951676503 /nfs/dbraw/zinc/67/65/03/951676503.db2.gz JDMFOCDTHAOUQC-DGCLKSJQSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077872 951676551 /nfs/dbraw/zinc/67/65/51/951676551.db2.gz JDMFOCDTHAOUQC-WCQYABFASA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077872 951676560 /nfs/dbraw/zinc/67/65/60/951676560.db2.gz JDMFOCDTHAOUQC-WCQYABFASA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078247 951679380 /nfs/dbraw/zinc/67/93/80/951679380.db2.gz KJQCCXLPEPDIPP-NSHDSACASA-N 0 3 376.392 0.736 20 0 GCADHN C[C@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078247 951679385 /nfs/dbraw/zinc/67/93/85/951679385.db2.gz KJQCCXLPEPDIPP-NSHDSACASA-N 0 3 376.392 0.736 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078412 951681445 /nfs/dbraw/zinc/68/14/45/951681445.db2.gz LKBYSKKIZBUPNE-NEPJUHHUSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078412 951681452 /nfs/dbraw/zinc/68/14/52/951681452.db2.gz LKBYSKKIZBUPNE-NEPJUHHUSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575078880 951686057 /nfs/dbraw/zinc/68/60/57/951686057.db2.gz AVDDDDREVXKJRB-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575078880 951686061 /nfs/dbraw/zinc/68/60/61/951686061.db2.gz AVDDDDREVXKJRB-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575079013 951687658 /nfs/dbraw/zinc/68/76/58/951687658.db2.gz ONCGZJXMXUJEHJ-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079254 951688606 /nfs/dbraw/zinc/68/86/06/951688606.db2.gz MSBWHZJOSZPHDW-SWLSCSKDSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079254 951688612 /nfs/dbraw/zinc/68/86/12/951688612.db2.gz MSBWHZJOSZPHDW-SWLSCSKDSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079377 951690111 /nfs/dbraw/zinc/69/01/11/951690111.db2.gz DFRXXQZSZOUPEN-AAEUAGOBSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079377 951690115 /nfs/dbraw/zinc/69/01/15/951690115.db2.gz DFRXXQZSZOUPEN-AAEUAGOBSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079381 951690320 /nfs/dbraw/zinc/69/03/20/951690320.db2.gz DFRXXQZSZOUPEN-WCQYABFASA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079381 951690323 /nfs/dbraw/zinc/69/03/23/951690323.db2.gz DFRXXQZSZOUPEN-WCQYABFASA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079503 951692638 /nfs/dbraw/zinc/69/26/38/951692638.db2.gz FQLQFRSPDFNIFM-DGCLKSJQSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079503 951692646 /nfs/dbraw/zinc/69/26/46/951692646.db2.gz FQLQFRSPDFNIFM-DGCLKSJQSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575079779 951697293 /nfs/dbraw/zinc/69/72/93/951697293.db2.gz OSYZGVISRSINQO-HIFRSBDPSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575079779 951697299 /nfs/dbraw/zinc/69/72/99/951697299.db2.gz OSYZGVISRSINQO-HIFRSBDPSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cnn(C)c1N ZINC001575079905 951699138 /nfs/dbraw/zinc/69/91/38/951699138.db2.gz SSYHCIFZLJVVTF-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080015 951701918 /nfs/dbraw/zinc/70/19/18/951701918.db2.gz JHLDBSWQLYUGQN-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080015 951701924 /nfs/dbraw/zinc/70/19/24/951701924.db2.gz JHLDBSWQLYUGQN-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575080764 951714598 /nfs/dbraw/zinc/71/45/98/951714598.db2.gz NMRSOOYPAANOHM-TVQRCGJNSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575080764 951714604 /nfs/dbraw/zinc/71/46/04/951714604.db2.gz NMRSOOYPAANOHM-TVQRCGJNSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1COCCO1 ZINC001575080799 951715579 /nfs/dbraw/zinc/71/55/79/951715579.db2.gz ZQCDLYGTHVOELM-ABAIWWIYSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081343 951721856 /nfs/dbraw/zinc/72/18/56/951721856.db2.gz TYIIZAIMJRMUQP-ZDUSSCGKSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081343 951721863 /nfs/dbraw/zinc/72/18/63/951721863.db2.gz TYIIZAIMJRMUQP-ZDUSSCGKSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081611 951723224 /nfs/dbraw/zinc/72/32/24/951723224.db2.gz QXGOFFDZNHUNHB-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081611 951723228 /nfs/dbraw/zinc/72/32/28/951723228.db2.gz QXGOFFDZNHUNHB-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575081839 951727773 /nfs/dbraw/zinc/72/77/73/951727773.db2.gz WFVBXXPMQRCCCD-WPRPVWTQSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575081839 951727787 /nfs/dbraw/zinc/72/77/87/951727787.db2.gz WFVBXXPMQRCCCD-WPRPVWTQSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081940 951729143 /nfs/dbraw/zinc/72/91/43/951729143.db2.gz WUJPNCOXHGNXPK-RYUDHWBXSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081940 951729151 /nfs/dbraw/zinc/72/91/51/951729151.db2.gz WUJPNCOXHGNXPK-RYUDHWBXSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575082441 951734910 /nfs/dbraw/zinc/73/49/10/951734910.db2.gz YXEZNCDLNJQJJW-RKDXNWHRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575082441 951734914 /nfs/dbraw/zinc/73/49/14/951734914.db2.gz YXEZNCDLNJQJJW-RKDXNWHRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082719 951738337 /nfs/dbraw/zinc/73/83/37/951738337.db2.gz YTEIAYSITRPBOF-RYUDHWBXSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082719 951738345 /nfs/dbraw/zinc/73/83/45/951738345.db2.gz YTEIAYSITRPBOF-RYUDHWBXSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNC(=O)Cn1ccccc1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088518 951740251 /nfs/dbraw/zinc/74/02/51/951740251.db2.gz ATBDCOOGNYSPDW-AWEZNQCLSA-N 0 3 381.440 0.571 20 0 GCADHN C[C@H](CNC(=O)Cn1ccccc1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088518 951740253 /nfs/dbraw/zinc/74/02/53/951740253.db2.gz ATBDCOOGNYSPDW-AWEZNQCLSA-N 0 3 381.440 0.571 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575088482 951740275 /nfs/dbraw/zinc/74/02/75/951740275.db2.gz ACLDVEYZTZYOIJ-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575088573 951741359 /nfs/dbraw/zinc/74/13/59/951741359.db2.gz BPXRCENUMMRRBW-RYUDHWBXSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088578 951741675 /nfs/dbraw/zinc/74/16/75/951741675.db2.gz BQPPMEQFEOTSFJ-UKRRQHHQSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088578 951741682 /nfs/dbraw/zinc/74/16/82/951741682.db2.gz BQPPMEQFEOTSFJ-UKRRQHHQSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089432 951749206 /nfs/dbraw/zinc/74/92/06/951749206.db2.gz FONXKDZWAJOYAX-LLVKDONJSA-N 0 3 376.392 0.736 20 0 GCADHN C[C@@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089432 951749211 /nfs/dbraw/zinc/74/92/11/951749211.db2.gz FONXKDZWAJOYAX-LLVKDONJSA-N 0 3 376.392 0.736 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575089682 951750966 /nfs/dbraw/zinc/75/09/66/951750966.db2.gz HJZMLHHPTVACQL-YPMHNXCESA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC001575089686 951752330 /nfs/dbraw/zinc/75/23/30/951752330.db2.gz HMIXSRYDRACZLI-VXGBXAGGSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001575089686 951752340 /nfs/dbraw/zinc/75/23/40/951752340.db2.gz HMIXSRYDRACZLI-VXGBXAGGSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089844 951755681 /nfs/dbraw/zinc/75/56/81/951755681.db2.gz HTBXJOSJLQLDBU-ZMZPIMSZSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089844 951755693 /nfs/dbraw/zinc/75/56/93/951755693.db2.gz HTBXJOSJLQLDBU-ZMZPIMSZSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090063 951757760 /nfs/dbraw/zinc/75/77/60/951757760.db2.gz IUQOYGYSYLIRCT-GFCCVEGCSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090063 951757767 /nfs/dbraw/zinc/75/77/67/951757767.db2.gz IUQOYGYSYLIRCT-GFCCVEGCSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575090731 951763072 /nfs/dbraw/zinc/76/30/72/951763072.db2.gz LLZBFLHFNWSUAX-AAEUAGOBSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090919 951765557 /nfs/dbraw/zinc/76/55/57/951765557.db2.gz NZPBUNMIEMJZBR-JTQLQIEISA-N 0 3 385.407 0.534 20 0 GCADHN C[C@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090919 951765564 /nfs/dbraw/zinc/76/55/64/951765564.db2.gz NZPBUNMIEMJZBR-JTQLQIEISA-N 0 3 385.407 0.534 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091095 951768697 /nfs/dbraw/zinc/76/86/97/951768697.db2.gz PBXIJVOPICYVMD-HZMBPMFUSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091095 951768703 /nfs/dbraw/zinc/76/87/03/951768703.db2.gz PBXIJVOPICYVMD-HZMBPMFUSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575091217 951772014 /nfs/dbraw/zinc/77/20/14/951772014.db2.gz OKSVQABRXAQAIX-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575091214 951772235 /nfs/dbraw/zinc/77/22/35/951772235.db2.gz OKSVQABRXAQAIX-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091229 951772598 /nfs/dbraw/zinc/77/25/98/951772598.db2.gz QFCDKORRNWTPPQ-QWRGUYRKSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091229 951772603 /nfs/dbraw/zinc/77/26/03/951772603.db2.gz QFCDKORRNWTPPQ-QWRGUYRKSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091429 951774813 /nfs/dbraw/zinc/77/48/13/951774813.db2.gz QZAZPWQUBTVMDO-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091429 951774819 /nfs/dbraw/zinc/77/48/19/951774819.db2.gz QZAZPWQUBTVMDO-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091958 951786667 /nfs/dbraw/zinc/78/66/67/951786667.db2.gz ZWMIOXBUZCVASM-NWDGAFQWSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091958 951786674 /nfs/dbraw/zinc/78/66/74/951786674.db2.gz ZWMIOXBUZCVASM-NWDGAFQWSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575094251 951801593 /nfs/dbraw/zinc/80/15/93/951801593.db2.gz MHFGCRBRSCBSQN-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575094251 951801608 /nfs/dbraw/zinc/80/16/08/951801608.db2.gz MHFGCRBRSCBSQN-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1cccn(C)c1=O ZINC001575094358 951804134 /nfs/dbraw/zinc/80/41/34/951804134.db2.gz NEPIUGSRFPHKHS-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1cccn(C)c1=O ZINC001575094358 951804146 /nfs/dbraw/zinc/80/41/46/951804146.db2.gz NEPIUGSRFPHKHS-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575095121 951808737 /nfs/dbraw/zinc/80/87/37/951808737.db2.gz RWLGEMAKNUPCGY-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575095121 951808745 /nfs/dbraw/zinc/80/87/45/951808745.db2.gz RWLGEMAKNUPCGY-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575095448 951810758 /nfs/dbraw/zinc/81/07/58/951810758.db2.gz TZTAOPKJYUQVIE-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575095448 951810766 /nfs/dbraw/zinc/81/07/66/951810766.db2.gz TZTAOPKJYUQVIE-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001575098109 951819920 /nfs/dbraw/zinc/81/99/20/951819920.db2.gz ASJZSTDUZIXEJK-DGCLKSJQSA-N 0 3 379.490 0.195 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101241 951855175 /nfs/dbraw/zinc/85/51/75/951855175.db2.gz BDEBZCMEUQAKLH-WCQYABFASA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101241 951855182 /nfs/dbraw/zinc/85/51/82/951855182.db2.gz BDEBZCMEUQAKLH-WCQYABFASA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101560 951861844 /nfs/dbraw/zinc/86/18/44/951861844.db2.gz HOJAPQXUWGIKOW-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101560 951861847 /nfs/dbraw/zinc/86/18/47/951861847.db2.gz HOJAPQXUWGIKOW-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102380 951867585 /nfs/dbraw/zinc/86/75/85/951867585.db2.gz MIRVFWDXBNREHQ-XHDPSFHLSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102380 951867596 /nfs/dbraw/zinc/86/75/96/951867596.db2.gz MIRVFWDXBNREHQ-XHDPSFHLSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102650 951869953 /nfs/dbraw/zinc/86/99/53/951869953.db2.gz NQTCBWCECQDKHU-YGRLFVJLSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102650 951869962 /nfs/dbraw/zinc/86/99/62/951869962.db2.gz NQTCBWCECQDKHU-YGRLFVJLSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102993 951872197 /nfs/dbraw/zinc/87/21/97/951872197.db2.gz PZLCAKNTQCENEK-WBMJQRKESA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102993 951872204 /nfs/dbraw/zinc/87/22/04/951872204.db2.gz PZLCAKNTQCENEK-WBMJQRKESA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575103792 951877094 /nfs/dbraw/zinc/87/70/94/951877094.db2.gz WBSCNIKZKLLFCE-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104016 951880046 /nfs/dbraw/zinc/88/00/46/951880046.db2.gz AWMITEJCEJMVRA-XJKSGUPXSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104016 951880053 /nfs/dbraw/zinc/88/00/53/951880053.db2.gz AWMITEJCEJMVRA-XJKSGUPXSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104839 951887720 /nfs/dbraw/zinc/88/77/20/951887720.db2.gz FEMVTVXKBKYFCR-GFCCVEGCSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104839 951887724 /nfs/dbraw/zinc/88/77/24/951887724.db2.gz FEMVTVXKBKYFCR-GFCCVEGCSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575104908 951889944 /nfs/dbraw/zinc/88/99/44/951889944.db2.gz GQYGSGPIUIDEMN-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575104908 951889950 /nfs/dbraw/zinc/88/99/50/951889950.db2.gz GQYGSGPIUIDEMN-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001575105425 951893331 /nfs/dbraw/zinc/89/33/31/951893331.db2.gz JFCFXUICAQVAEX-KXBFYZLASA-N 0 3 383.456 0.377 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001575105425 951893343 /nfs/dbraw/zinc/89/33/43/951893343.db2.gz JFCFXUICAQVAEX-KXBFYZLASA-N 0 3 383.456 0.377 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)Cc1cnn(C)c1 ZINC001575105394 951893651 /nfs/dbraw/zinc/89/36/51/951893651.db2.gz IPOUAWNUZMJLTP-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)Cc1cnn(C)c1 ZINC001575105394 951893658 /nfs/dbraw/zinc/89/36/58/951893658.db2.gz IPOUAWNUZMJLTP-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105624 951897128 /nfs/dbraw/zinc/89/71/28/951897128.db2.gz LQYRGQSKFPMNIU-CZUORRHYSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105624 951897131 /nfs/dbraw/zinc/89/71/31/951897131.db2.gz LQYRGQSKFPMNIU-CZUORRHYSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105635 951897154 /nfs/dbraw/zinc/89/71/54/951897154.db2.gz LWZXMELJUUPVMB-WFASDCNBSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105635 951897164 /nfs/dbraw/zinc/89/71/64/951897164.db2.gz LWZXMELJUUPVMB-WFASDCNBSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575106833 951907837 /nfs/dbraw/zinc/90/78/37/951907837.db2.gz VGQHXGOLNQXNPL-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575106833 951907846 /nfs/dbraw/zinc/90/78/46/951907846.db2.gz VGQHXGOLNQXNPL-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575107945 951923359 /nfs/dbraw/zinc/92/33/59/951923359.db2.gz JKWALCQKYRSNOC-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575107945 951923368 /nfs/dbraw/zinc/92/33/68/951923368.db2.gz JKWALCQKYRSNOC-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575108767 951926550 /nfs/dbraw/zinc/92/65/50/951926550.db2.gz NHVJUBKJSSYHDX-LBPRGKRZSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575108767 951926558 /nfs/dbraw/zinc/92/65/58/951926558.db2.gz NHVJUBKJSSYHDX-LBPRGKRZSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575109249 951927964 /nfs/dbraw/zinc/92/79/64/951927964.db2.gz QIGYUWGANPJZCJ-XJKSGUPXSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575109249 951927968 /nfs/dbraw/zinc/92/79/68/951927968.db2.gz QIGYUWGANPJZCJ-XJKSGUPXSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575110390 951939122 /nfs/dbraw/zinc/93/91/22/951939122.db2.gz ZXHXDGUYZSXYFE-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575110390 951939126 /nfs/dbraw/zinc/93/91/26/951939126.db2.gz ZXHXDGUYZSXYFE-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113427 951941154 /nfs/dbraw/zinc/94/11/54/951941154.db2.gz BGEHDTNWMRQZSK-GXTWGEPZSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113427 951941158 /nfs/dbraw/zinc/94/11/58/951941158.db2.gz BGEHDTNWMRQZSK-GXTWGEPZSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575113669 951943518 /nfs/dbraw/zinc/94/35/18/951943518.db2.gz CWZKKQXQCCBMEM-GOSISDBHSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575113669 951943523 /nfs/dbraw/zinc/94/35/23/951943523.db2.gz CWZKKQXQCCBMEM-GOSISDBHSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113873 951947827 /nfs/dbraw/zinc/94/78/27/951947827.db2.gz HLZRNTODSUIAIB-LLVKDONJSA-N 0 3 383.412 0.714 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113873 951947833 /nfs/dbraw/zinc/94/78/33/951947833.db2.gz HLZRNTODSUIAIB-LLVKDONJSA-N 0 3 383.412 0.714 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575113896 951949698 /nfs/dbraw/zinc/94/96/98/951949698.db2.gz HSJMMMKBCPJOEB-KXBFYZLASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575113896 951949702 /nfs/dbraw/zinc/94/97/02/951949702.db2.gz HSJMMMKBCPJOEB-KXBFYZLASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114752 951959198 /nfs/dbraw/zinc/95/91/98/951959198.db2.gz SESATXTVAJIQHY-ZDUSSCGKSA-N 0 3 386.460 0.124 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114752 951959204 /nfs/dbraw/zinc/95/92/04/951959204.db2.gz SESATXTVAJIQHY-ZDUSSCGKSA-N 0 3 386.460 0.124 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114773 951960388 /nfs/dbraw/zinc/96/03/88/951960388.db2.gz SUWHVMQXPADZKB-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114773 951960394 /nfs/dbraw/zinc/96/03/94/951960394.db2.gz SUWHVMQXPADZKB-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115180 951962343 /nfs/dbraw/zinc/96/23/43/951962343.db2.gz VJYSKBRDJDLRDF-ZDUSSCGKSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115180 951962349 /nfs/dbraw/zinc/96/23/49/951962349.db2.gz VJYSKBRDJDLRDF-ZDUSSCGKSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575136322 952124301 /nfs/dbraw/zinc/12/43/01/952124301.db2.gz UUBPPMYDEIHORI-LBPRGKRZSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575136322 952124304 /nfs/dbraw/zinc/12/43/04/952124304.db2.gz UUBPPMYDEIHORI-LBPRGKRZSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575186019 952436521 /nfs/dbraw/zinc/43/65/21/952436521.db2.gz XULICCWBKRZWNW-FPMFFAJLSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575186019 952436525 /nfs/dbraw/zinc/43/65/25/952436525.db2.gz XULICCWBKRZWNW-FPMFFAJLSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](Cc1ccco1)C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575196221 952475643 /nfs/dbraw/zinc/47/56/43/952475643.db2.gz FTMLIMUNGSBNSB-BBRMVZONSA-N 0 3 384.440 0.905 20 0 GCADHN C[C@@H](Cc1ccco1)C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575196221 952475645 /nfs/dbraw/zinc/47/56/45/952475645.db2.gz FTMLIMUNGSBNSB-BBRMVZONSA-N 0 3 384.440 0.905 20 0 GCADHN CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571116914 952478807 /nfs/dbraw/zinc/47/88/07/952478807.db2.gz FTBVRHFAGHXOCH-NILFDRSVSA-N 0 3 375.433 0.050 20 0 GCADHN CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571116914 952478808 /nfs/dbraw/zinc/47/88/08/952478808.db2.gz FTBVRHFAGHXOCH-NILFDRSVSA-N 0 3 375.433 0.050 20 0 GCADHN CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571116914 952478810 /nfs/dbraw/zinc/47/88/10/952478810.db2.gz FTBVRHFAGHXOCH-NILFDRSVSA-N 0 3 375.433 0.050 20 0 GCADHN CO[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571116914 952478811 /nfs/dbraw/zinc/47/88/11/952478811.db2.gz FTBVRHFAGHXOCH-NILFDRSVSA-N 0 3 375.433 0.050 20 0 GCADHN C[C@H](Cc1ccco1)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575197221 952480466 /nfs/dbraw/zinc/48/04/66/952480466.db2.gz QJLZHGKPPPZDCA-UKRRQHHQSA-N 0 3 384.440 0.905 20 0 GCADHN C[C@H](Cc1ccco1)C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575197221 952480468 /nfs/dbraw/zinc/48/04/68/952480468.db2.gz QJLZHGKPPPZDCA-UKRRQHHQSA-N 0 3 384.440 0.905 20 0 GCADHN Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1-c1nnn[n-]1 ZINC001571121726 952522199 /nfs/dbraw/zinc/52/21/99/952522199.db2.gz CIFMLMPMLDEYIO-SDDRHHMPSA-N 0 3 376.490 0.890 20 0 GCADHN Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1-c1nnn[n-]1 ZINC001571121726 952522206 /nfs/dbraw/zinc/52/22/06/952522206.db2.gz CIFMLMPMLDEYIO-SDDRHHMPSA-N 0 3 376.490 0.890 20 0 GCADHN O=C(c1cccnn1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571124077 952533651 /nfs/dbraw/zinc/53/36/51/952533651.db2.gz YRBIIGLTKRTDQD-IYBDPMFKSA-N 0 3 376.424 0.861 20 0 GCADHN O=C(c1cccnn1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571124077 952533658 /nfs/dbraw/zinc/53/36/58/952533658.db2.gz YRBIIGLTKRTDQD-IYBDPMFKSA-N 0 3 376.424 0.861 20 0 GCADHN O=C(c1cccnn1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571124077 952533661 /nfs/dbraw/zinc/53/36/61/952533661.db2.gz YRBIIGLTKRTDQD-IYBDPMFKSA-N 0 3 376.424 0.861 20 0 GCADHN O=C(c1cccnn1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571124077 952533666 /nfs/dbraw/zinc/53/36/66/952533666.db2.gz YRBIIGLTKRTDQD-IYBDPMFKSA-N 0 3 376.424 0.861 20 0 GCADHN CC[C@@H](C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)OC ZINC001571126959 952548354 /nfs/dbraw/zinc/54/83/54/952548354.db2.gz APXHXSSCGBLONS-UONOGXRCSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@@H](C[N@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)OC ZINC001571126959 952548359 /nfs/dbraw/zinc/54/83/59/952548359.db2.gz APXHXSSCGBLONS-UONOGXRCSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@@H](C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)OC ZINC001571126959 952548364 /nfs/dbraw/zinc/54/83/64/952548364.db2.gz APXHXSSCGBLONS-UONOGXRCSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@@H](C[N@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)OC ZINC001571126959 952548370 /nfs/dbraw/zinc/54/83/70/952548370.db2.gz APXHXSSCGBLONS-UONOGXRCSA-N 0 3 377.449 0.441 20 0 GCADHN O=C(N1CC([NH2+]C2CCOCC2)C1)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001571130572 952581006 /nfs/dbraw/zinc/58/10/06/952581006.db2.gz UCCJZVYPKUEJSM-UHFFFAOYSA-N 0 3 378.383 0.938 20 0 GCADHN O=C(N1CC([NH2+]C2CCOCC2)C1)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001571130572 952581008 /nfs/dbraw/zinc/58/10/08/952581008.db2.gz UCCJZVYPKUEJSM-UHFFFAOYSA-N 0 3 378.383 0.938 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571155733 952699853 /nfs/dbraw/zinc/69/98/53/952699853.db2.gz YOCOCSZMGISNNB-CQSZACIVSA-N 0 3 380.412 0.709 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571155733 952699860 /nfs/dbraw/zinc/69/98/60/952699860.db2.gz YOCOCSZMGISNNB-CQSZACIVSA-N 0 3 380.412 0.709 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571155733 952699865 /nfs/dbraw/zinc/69/98/65/952699865.db2.gz YOCOCSZMGISNNB-CQSZACIVSA-N 0 3 380.412 0.709 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571155733 952699868 /nfs/dbraw/zinc/69/98/68/952699868.db2.gz YOCOCSZMGISNNB-CQSZACIVSA-N 0 3 380.412 0.709 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccnnc3)C2)cc1-c1nnn[n-]1 ZINC001571158222 952709763 /nfs/dbraw/zinc/70/97/63/952709763.db2.gz DZWQWBHBHDGJBL-CQSZACIVSA-N 0 3 380.412 0.670 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3ccnnc3)C2)cc1-c1nn[n-]n1 ZINC001571158222 952709765 /nfs/dbraw/zinc/70/97/65/952709765.db2.gz DZWQWBHBHDGJBL-CQSZACIVSA-N 0 3 380.412 0.670 20 0 GCADHN O=C(c1cn[nH]c(=O)c1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571160022 952723400 /nfs/dbraw/zinc/72/34/00/952723400.db2.gz AZKJDBGSEBDUKZ-CYBMUJFWSA-N 0 3 380.412 0.614 20 0 GCADHN O=C(c1cn[nH]c(=O)c1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571160022 952723403 /nfs/dbraw/zinc/72/34/03/952723403.db2.gz AZKJDBGSEBDUKZ-CYBMUJFWSA-N 0 3 380.412 0.614 20 0 GCADHN Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ncc[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571160266 952725463 /nfs/dbraw/zinc/72/54/63/952725463.db2.gz XQRLHLXTLHSSHB-BETUJISGSA-N 0 3 379.428 0.716 20 0 GCADHN C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571166610 952763334 /nfs/dbraw/zinc/76/33/34/952763334.db2.gz NSVLWEQKPMJOFC-CXAGYDPISA-N 0 3 380.456 0.779 20 0 GCADHN C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571166610 952763340 /nfs/dbraw/zinc/76/33/40/952763340.db2.gz NSVLWEQKPMJOFC-CXAGYDPISA-N 0 3 380.456 0.779 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)Cc1ccn(C)n1 ZINC001571167026 952768819 /nfs/dbraw/zinc/76/88/19/952768819.db2.gz SZPINCBYQYPFLU-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)Cc1ccn(C)n1 ZINC001571167026 952768820 /nfs/dbraw/zinc/76/88/20/952768820.db2.gz SZPINCBYQYPFLU-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN Cc1cc(N[C@H]2CCN(C(=O)c3cnc[nH]c3=O)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571175748 952825422 /nfs/dbraw/zinc/82/54/22/952825422.db2.gz YLYRUCZLKQGQDE-GWCFXTLKSA-N 0 3 381.400 0.203 20 0 GCADHN Cn1cccc1C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571179963 952857447 /nfs/dbraw/zinc/85/74/47/952857447.db2.gz LBLSYSAESVWKJC-OAHLLOKOSA-N 0 3 381.440 0.836 20 0 GCADHN Cn1cccc1C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571179963 952857454 /nfs/dbraw/zinc/85/74/54/952857454.db2.gz LBLSYSAESVWKJC-OAHLLOKOSA-N 0 3 381.440 0.836 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001571179947 952857964 /nfs/dbraw/zinc/85/79/64/952857964.db2.gz KVZHGVDGNKOQNC-BBRMVZONSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001571179947 952857970 /nfs/dbraw/zinc/85/79/70/952857970.db2.gz KVZHGVDGNKOQNC-BBRMVZONSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571184124 952888017 /nfs/dbraw/zinc/88/80/17/952888017.db2.gz QZIJANPXJXNTFV-SWLSCSKDSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571184124 952888020 /nfs/dbraw/zinc/88/80/20/952888020.db2.gz QZIJANPXJXNTFV-SWLSCSKDSA-N 0 3 381.444 0.636 20 0 GCADHN Cc1c(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)nnn1C ZINC001571185019 952900072 /nfs/dbraw/zinc/90/00/72/952900072.db2.gz GTPUUEAOMVALMT-CQSZACIVSA-N 0 3 381.444 0.698 20 0 GCADHN Cc1c(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)nnn1C ZINC001571185019 952900075 /nfs/dbraw/zinc/90/00/75/952900075.db2.gz GTPUUEAOMVALMT-CQSZACIVSA-N 0 3 381.444 0.698 20 0 GCADHN Cc1nccn1CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571187765 952910645 /nfs/dbraw/zinc/91/06/45/952910645.db2.gz BSKAOFVFBZGWST-CQSZACIVSA-N 0 3 381.444 0.458 20 0 GCADHN Cc1cncn1CC(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571188362 952913196 /nfs/dbraw/zinc/91/31/96/952913196.db2.gz JIIXJNIUDNXZPD-UHFFFAOYSA-N 0 3 381.444 0.814 20 0 GCADHN O=C(Cn1cncn1)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571188720 952919473 /nfs/dbraw/zinc/91/94/73/952919473.db2.gz GPDFUHDIQIDUDK-CVEARBPZSA-N 0 3 381.444 0.533 20 0 GCADHN O=C(Cn1cncn1)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571188720 952919479 /nfs/dbraw/zinc/91/94/79/952919479.db2.gz GPDFUHDIQIDUDK-CVEARBPZSA-N 0 3 381.444 0.533 20 0 GCADHN Cn1ncc(C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1N ZINC001571188796 952920431 /nfs/dbraw/zinc/92/04/31/952920431.db2.gz JMMLVMYBTDOVIR-UHFFFAOYSA-N 0 3 381.444 0.481 20 0 GCADHN Cn1ncc(C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1N ZINC001571188796 952920434 /nfs/dbraw/zinc/92/04/34/952920434.db2.gz JMMLVMYBTDOVIR-UHFFFAOYSA-N 0 3 381.444 0.481 20 0 GCADHN Cc1[nH]nc(C(=O)NCC2CC(Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1C ZINC001571188839 952920547 /nfs/dbraw/zinc/92/05/47/952920547.db2.gz NSEHMXQGZYSFKK-UHFFFAOYSA-N 0 3 381.444 0.952 20 0 GCADHN Cc1cncn1CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001571189025 952922537 /nfs/dbraw/zinc/92/25/37/952922537.db2.gz PUOMDFRIPYPHTR-DZGCQCFKSA-N 0 3 381.444 0.598 20 0 GCADHN O=C(CCn1ccnn1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571189209 952926159 /nfs/dbraw/zinc/92/61/59/952926159.db2.gz OPHFQPTVGQWVLR-OAHLLOKOSA-N 0 3 381.444 0.629 20 0 GCADHN O=C(CCn1ccnn1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571189209 952926163 /nfs/dbraw/zinc/92/61/63/952926163.db2.gz OPHFQPTVGQWVLR-OAHLLOKOSA-N 0 3 381.444 0.629 20 0 GCADHN Cn1cc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571189398 952929105 /nfs/dbraw/zinc/92/91/05/952929105.db2.gz QWPNKSNCGCCQOD-ZFWWWQNUSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1cc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571189398 952929108 /nfs/dbraw/zinc/92/91/08/952929108.db2.gz QWPNKSNCGCCQOD-ZFWWWQNUSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1nncc1C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571189709 952933566 /nfs/dbraw/zinc/93/35/66/952933566.db2.gz SDJLLLGBJIWQPZ-UKRRQHHQSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1nncc1C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571189709 952933570 /nfs/dbraw/zinc/93/35/70/952933570.db2.gz SDJLLLGBJIWQPZ-UKRRQHHQSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1cnc(C(=O)N2CCC(C)([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)n1 ZINC001571189838 952936809 /nfs/dbraw/zinc/93/68/09/952936809.db2.gz WXGVTPPMYQMLGN-UHFFFAOYSA-N 0 3 381.444 0.780 20 0 GCADHN Cn1cnc(C(=O)N2CCC(C)([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)n1 ZINC001571189838 952936814 /nfs/dbraw/zinc/93/68/14/952936814.db2.gz WXGVTPPMYQMLGN-UHFFFAOYSA-N 0 3 381.444 0.780 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC001571199247 952997736 /nfs/dbraw/zinc/99/77/36/952997736.db2.gz OIWGGHQPOSOXLP-AWEZNQCLSA-N 0 3 382.428 0.911 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001571200448 953008576 /nfs/dbraw/zinc/00/85/76/953008576.db2.gz ISHJUFWFQRWYJB-XHDPSFHLSA-N 0 3 382.428 0.144 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001571200448 953008582 /nfs/dbraw/zinc/00/85/82/953008582.db2.gz ISHJUFWFQRWYJB-XHDPSFHLSA-N 0 3 382.428 0.144 20 0 GCADHN O=C(c1n[nH]cc1F)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571202434 953025788 /nfs/dbraw/zinc/02/57/88/953025788.db2.gz WTXVFSVRKBPRDG-OKILXGFUSA-N 0 3 382.403 0.933 20 0 GCADHN O=C(c1n[nH]cc1F)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571202434 953025793 /nfs/dbraw/zinc/02/57/93/953025793.db2.gz WTXVFSVRKBPRDG-OKILXGFUSA-N 0 3 382.403 0.933 20 0 GCADHN O=C(c1n[nH]cc1F)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571202434 953025796 /nfs/dbraw/zinc/02/57/96/953025796.db2.gz WTXVFSVRKBPRDG-OKILXGFUSA-N 0 3 382.403 0.933 20 0 GCADHN O=C(c1n[nH]cc1F)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571202434 953025801 /nfs/dbraw/zinc/02/58/01/953025801.db2.gz WTXVFSVRKBPRDG-OKILXGFUSA-N 0 3 382.403 0.933 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ncnn1 ZINC001571205446 953037763 /nfs/dbraw/zinc/03/77/63/953037763.db2.gz JAYKSPFECOEDCJ-SWLSCSKDSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001571205446 953037768 /nfs/dbraw/zinc/03/77/68/953037768.db2.gz JAYKSPFECOEDCJ-SWLSCSKDSA-N 0 3 382.432 0.023 20 0 GCADHN Cc1nnc(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)o1 ZINC001571205729 953041866 /nfs/dbraw/zinc/04/18/66/953041866.db2.gz LBTRBMBRSHWCLE-CTYIDZIISA-N 0 3 382.428 0.785 20 0 GCADHN Cc1nnc(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)o1 ZINC001571205729 953041869 /nfs/dbraw/zinc/04/18/69/953041869.db2.gz LBTRBMBRSHWCLE-CTYIDZIISA-N 0 3 382.428 0.785 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571206310 953049111 /nfs/dbraw/zinc/04/91/11/953049111.db2.gz OJFXWWYUDDNJPD-AWEZNQCLSA-N 0 3 382.428 0.881 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571206310 953049116 /nfs/dbraw/zinc/04/91/16/953049116.db2.gz OJFXWWYUDDNJPD-AWEZNQCLSA-N 0 3 382.428 0.881 20 0 GCADHN O=C(CCn1cnnn1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571209997 953069281 /nfs/dbraw/zinc/06/92/81/953069281.db2.gz LEEXHCXUWDELOO-CQSZACIVSA-N 0 3 382.432 0.024 20 0 GCADHN O=C(CCn1cnnn1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571209997 953069286 /nfs/dbraw/zinc/06/92/86/953069286.db2.gz LEEXHCXUWDELOO-CQSZACIVSA-N 0 3 382.432 0.024 20 0 GCADHN Cc1cc(N(C)C[C@@H]2CCCN(C(=O)c3cn[nH]n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211938 953082707 /nfs/dbraw/zinc/08/27/07/953082707.db2.gz ISVZYOQXSGILEB-LBPRGKRZSA-N 0 3 382.432 0.677 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571214397 953101664 /nfs/dbraw/zinc/10/16/64/953101664.db2.gz YFNYJUQJQDONNH-IXKJSCDLSA-N 0 3 382.472 0.829 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571214397 953101667 /nfs/dbraw/zinc/10/16/67/953101667.db2.gz YFNYJUQJQDONNH-IXKJSCDLSA-N 0 3 382.472 0.829 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571214397 953101669 /nfs/dbraw/zinc/10/16/69/953101669.db2.gz YFNYJUQJQDONNH-IXKJSCDLSA-N 0 3 382.472 0.829 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571214397 953101670 /nfs/dbraw/zinc/10/16/70/953101670.db2.gz YFNYJUQJQDONNH-IXKJSCDLSA-N 0 3 382.472 0.829 20 0 GCADHN O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571216905 953104168 /nfs/dbraw/zinc/10/41/68/953104168.db2.gz BYVOYLLIHZDTQG-GDBMZVCRSA-N 0 3 382.472 0.689 20 0 GCADHN O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571216905 953104172 /nfs/dbraw/zinc/10/41/72/953104172.db2.gz BYVOYLLIHZDTQG-GDBMZVCRSA-N 0 3 382.472 0.689 20 0 GCADHN O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C12CC[NH+](CC1)C2 ZINC001571216894 953104693 /nfs/dbraw/zinc/10/46/93/953104693.db2.gz BNWMVYCGQYGRCW-OAHLLOKOSA-N 0 3 382.472 0.833 20 0 GCADHN O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C12CC[NH+](CC1)C2 ZINC001571216894 953104695 /nfs/dbraw/zinc/10/46/95/953104695.db2.gz BNWMVYCGQYGRCW-OAHLLOKOSA-N 0 3 382.472 0.833 20 0 GCADHN CCN1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC1=O ZINC001571230454 953177714 /nfs/dbraw/zinc/17/77/14/953177714.db2.gz DLCQGEZWMIKGFX-BZUAXINKSA-N 0 3 383.456 0.472 20 0 GCADHN CCN1C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC1=O ZINC001571230454 953177718 /nfs/dbraw/zinc/17/77/18/953177718.db2.gz DLCQGEZWMIKGFX-BZUAXINKSA-N 0 3 383.456 0.472 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571230721 953179788 /nfs/dbraw/zinc/17/97/88/953179788.db2.gz IQKBOGCIQMZQJA-ZBFHGGJFSA-N 0 3 383.456 0.426 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571230721 953179790 /nfs/dbraw/zinc/17/97/90/953179790.db2.gz IQKBOGCIQMZQJA-ZBFHGGJFSA-N 0 3 383.456 0.426 20 0 GCADHN CN(C(=O)CN1CCCC1=O)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571230966 953182268 /nfs/dbraw/zinc/18/22/68/953182268.db2.gz OJORZXUBIDQMFH-UHFFFAOYSA-N 0 3 383.456 0.568 20 0 GCADHN CN(C(=O)CN1CCCC1=O)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571230966 953182270 /nfs/dbraw/zinc/18/22/70/953182270.db2.gz OJORZXUBIDQMFH-UHFFFAOYSA-N 0 3 383.456 0.568 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@H]1CCCC(=O)N1 ZINC001571232248 953185871 /nfs/dbraw/zinc/18/58/71/953185871.db2.gz CNYPQJSVFGOOLU-AVVWSFFYSA-N 0 3 383.456 0.520 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@H]1CCCC(=O)N1 ZINC001571232248 953185873 /nfs/dbraw/zinc/18/58/73/953185873.db2.gz CNYPQJSVFGOOLU-AVVWSFFYSA-N 0 3 383.456 0.520 20 0 GCADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571232131 953186162 /nfs/dbraw/zinc/18/61/62/953186162.db2.gz BQBGPXJMWHXGFC-ZBFHGGJFSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571232131 953186167 /nfs/dbraw/zinc/18/61/67/953186167.db2.gz BQBGPXJMWHXGFC-ZBFHGGJFSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@@H+]1CCc1cnn(C)c1 ZINC001571233033 953189811 /nfs/dbraw/zinc/18/98/11/953189811.db2.gz NKPBJYHJCZDPLZ-WFASDCNBSA-N 0 3 383.460 0.754 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@H+]1CCc1cnn(C)c1 ZINC001571233033 953189813 /nfs/dbraw/zinc/18/98/13/953189813.db2.gz NKPBJYHJCZDPLZ-WFASDCNBSA-N 0 3 383.460 0.754 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@]12CCOC2 ZINC001571233349 953191327 /nfs/dbraw/zinc/19/13/27/953191327.db2.gz SJMICAUUFLNGPE-CUYVQJCZSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@]12CCOC2 ZINC001571233349 953191329 /nfs/dbraw/zinc/19/13/29/953191329.db2.gz SJMICAUUFLNGPE-CUYVQJCZSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@]12CCOC2 ZINC001571233349 953191332 /nfs/dbraw/zinc/19/13/32/953191332.db2.gz SJMICAUUFLNGPE-CUYVQJCZSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@]12CCOC2 ZINC001571233349 953191335 /nfs/dbraw/zinc/19/13/35/953191335.db2.gz SJMICAUUFLNGPE-CUYVQJCZSA-N 0 3 383.456 0.910 20 0 GCADHN C[C@H]([NH2+]Cc1cncn1C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571233298 953191438 /nfs/dbraw/zinc/19/14/38/953191438.db2.gz RGVRNISZUFTTIN-LBPRGKRZSA-N 0 3 383.460 0.959 20 0 GCADHN CCn1cc(CC[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571233446 953193264 /nfs/dbraw/zinc/19/32/64/953193264.db2.gz VNFJETIRVXUCBO-JSGCOSHPSA-N 0 3 383.460 0.847 20 0 GCADHN CCn1cc(CC[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571233446 953193268 /nfs/dbraw/zinc/19/32/68/953193268.db2.gz VNFJETIRVXUCBO-JSGCOSHPSA-N 0 3 383.460 0.847 20 0 GCADHN O=C([C@@H]1CCNC(=O)C1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571233542 953193629 /nfs/dbraw/zinc/19/36/29/953193629.db2.gz XKVINKOKJSEIMS-UKRRQHHQSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@@H]1CCNC(=O)C1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571233542 953193632 /nfs/dbraw/zinc/19/36/32/953193632.db2.gz XKVINKOKJSEIMS-UKRRQHHQSA-N 0 3 383.456 0.474 20 0 GCADHN Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571234132 953198777 /nfs/dbraw/zinc/19/87/77/953198777.db2.gz NXHNEWMONJNTLK-DGCLKSJQSA-N 0 3 383.460 0.877 20 0 GCADHN Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571234132 953198781 /nfs/dbraw/zinc/19/87/81/953198781.db2.gz NXHNEWMONJNTLK-DGCLKSJQSA-N 0 3 383.460 0.877 20 0 GCADHN Cn1cc(CC[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC001571234324 953201221 /nfs/dbraw/zinc/20/12/21/953201221.db2.gz UKBPBMGDNHZKGE-OAHLLOKOSA-N 0 3 383.460 0.755 20 0 GCADHN Cn1cc(CC[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC001571234324 953201224 /nfs/dbraw/zinc/20/12/24/953201224.db2.gz UKBPBMGDNHZKGE-OAHLLOKOSA-N 0 3 383.460 0.755 20 0 GCADHN C[C@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571239153 953236260 /nfs/dbraw/zinc/23/62/60/953236260.db2.gz GOZLPEPNJLSVHE-MEDUHNTESA-N 0 3 384.419 0.990 20 0 GCADHN C[C@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571239153 953236262 /nfs/dbraw/zinc/23/62/62/953236262.db2.gz GOZLPEPNJLSVHE-MEDUHNTESA-N 0 3 384.419 0.990 20 0 GCADHN C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571239192 953237300 /nfs/dbraw/zinc/23/73/00/953237300.db2.gz HMGPVGOSFDXLKL-IAQYHMDHSA-N 0 3 384.419 0.990 20 0 GCADHN Cc1ccnn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571241511 953247426 /nfs/dbraw/zinc/24/74/26/953247426.db2.gz BQZZMZHCICGMBF-CQSZACIVSA-N 0 3 384.419 0.901 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001571241786 953249835 /nfs/dbraw/zinc/24/98/35/953249835.db2.gz LOGJVZNFKJZNOP-MKVSYHDVSA-N 0 3 384.440 0.458 20 0 GCADHN COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001571241786 953249836 /nfs/dbraw/zinc/24/98/36/953249836.db2.gz LOGJVZNFKJZNOP-MKVSYHDVSA-N 0 3 384.440 0.458 20 0 GCADHN O=C(N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@]12C[C@H]1COC2 ZINC001571241855 953250216 /nfs/dbraw/zinc/25/02/16/953250216.db2.gz NJKSNCPQZZLCPI-BXWFABGCSA-N 0 3 384.440 0.220 20 0 GCADHN O=C(N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@]12C[C@H]1COC2 ZINC001571241855 953250219 /nfs/dbraw/zinc/25/02/19/953250219.db2.gz NJKSNCPQZZLCPI-BXWFABGCSA-N 0 3 384.440 0.220 20 0 GCADHN COC(=O)[C@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571242311 953255300 /nfs/dbraw/zinc/25/53/00/953255300.db2.gz ZEKLJYKUDAVDMD-CVEARBPZSA-N 0 3 384.440 0.756 20 0 GCADHN COC(=O)[C@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571242311 953255302 /nfs/dbraw/zinc/25/53/02/953255302.db2.gz ZEKLJYKUDAVDMD-CVEARBPZSA-N 0 3 384.440 0.756 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571242317 953255741 /nfs/dbraw/zinc/25/57/41/953255741.db2.gz ZEKLJYKUDAVDMD-JKSUJKDBSA-N 0 3 384.440 0.756 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571242317 953255745 /nfs/dbraw/zinc/25/57/45/953255745.db2.gz ZEKLJYKUDAVDMD-JKSUJKDBSA-N 0 3 384.440 0.756 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001571246085 953279931 /nfs/dbraw/zinc/27/99/31/953279931.db2.gz SESNINFUJSQOJM-CQSZACIVSA-N 0 3 384.448 0.461 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC001571246085 953279934 /nfs/dbraw/zinc/27/99/34/953279934.db2.gz SESNINFUJSQOJM-CQSZACIVSA-N 0 3 384.448 0.461 20 0 GCADHN CC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001571246370 953282421 /nfs/dbraw/zinc/28/24/21/953282421.db2.gz ZJHMNDTXTDAXEW-CHWSQXEVSA-N 0 3 384.448 0.317 20 0 GCADHN CC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1[NH2+]CCn1cncn1 ZINC001571246370 953282425 /nfs/dbraw/zinc/28/24/25/953282425.db2.gz ZJHMNDTXTDAXEW-CHWSQXEVSA-N 0 3 384.448 0.317 20 0 GCADHN NC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571247586 953283418 /nfs/dbraw/zinc/28/34/18/953283418.db2.gz ASFQDXXGFBGRIV-KKUMJFAQSA-N 0 3 384.444 0.147 20 0 GCADHN NC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571247586 953283421 /nfs/dbraw/zinc/28/34/21/953283421.db2.gz ASFQDXXGFBGRIV-KKUMJFAQSA-N 0 3 384.444 0.147 20 0 GCADHN O=C(N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571250440 953311633 /nfs/dbraw/zinc/31/16/33/953311633.db2.gz ROTPNSMPSRDBBL-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN([C@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001571252107 953324525 /nfs/dbraw/zinc/32/45/25/953324525.db2.gz HKCIJSGXAPONHC-INIZCTEOSA-N 0 3 384.488 0.827 20 0 GCADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN([C@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001571252107 953324531 /nfs/dbraw/zinc/32/45/31/953324531.db2.gz HKCIJSGXAPONHC-INIZCTEOSA-N 0 3 384.488 0.827 20 0 GCADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN([C@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001571252107 953324534 /nfs/dbraw/zinc/32/45/34/953324534.db2.gz HKCIJSGXAPONHC-INIZCTEOSA-N 0 3 384.488 0.827 20 0 GCADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN([C@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001571252107 953324539 /nfs/dbraw/zinc/32/45/39/953324539.db2.gz HKCIJSGXAPONHC-INIZCTEOSA-N 0 3 384.488 0.827 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CN1C(=O)c1cnn(C)n1 ZINC001571255860 953357719 /nfs/dbraw/zinc/35/77/19/953357719.db2.gz VETSZFDRKUBDNE-ZYHUDNBSSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CN1C(=O)c1cnn(C)n1 ZINC001571255860 953357725 /nfs/dbraw/zinc/35/77/25/953357725.db2.gz VETSZFDRKUBDNE-ZYHUDNBSSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)(C(=O)[O-])N1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC001589623909 987518249 /nfs/dbraw/zinc/51/82/49/987518249.db2.gz UADALLAMXHJRPP-DLBZAZTESA-N 0 3 396.532 0.945 20 0 GCADHN CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001598225704 990917677 /nfs/dbraw/zinc/91/76/77/990917677.db2.gz SGZVRDXUHNTKKZ-UHFFFAOYSA-N 0 3 385.852 0.324 20 0 GCADHN CN(CCO)CCN(C)C(=O)Nc1ccc(N2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC001598496684 992375019 /nfs/dbraw/zinc/37/50/19/992375019.db2.gz YUJNXUGTDSKFNX-UHFFFAOYSA-N 0 3 393.488 0.281 20 0 GCADHN CN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[C@H](C(=O)[O-])C1 ZINC001598609717 993742938 /nfs/dbraw/zinc/74/29/38/993742938.db2.gz MWSUAEQXSGDISN-QZTJIDSGSA-N 0 3 390.484 0.411 20 0 GCADHN CN1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@H](C(=O)[O-])C1 ZINC001598609717 993742948 /nfs/dbraw/zinc/74/29/48/993742948.db2.gz MWSUAEQXSGDISN-QZTJIDSGSA-N 0 3 390.484 0.411 20 0 GCADHN Cn1c2[n-]c(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)nc2c(=O)n(C)c1=O ZINC001308118046 1126163914 /nfs/dbraw/zinc/16/39/14/1126163914.db2.gz QAMMXPYSRNYLSG-GOSISDBHSA-N 0 3 391.859 0.697 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C2CCCC2)cc1 ZINC000264133496 530152339 /nfs/dbraw/zinc/15/23/39/530152339.db2.gz ADSYVJXBBWZAOF-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)cc1 ZINC000264193813 530153308 /nfs/dbraw/zinc/15/33/08/530153308.db2.gz NFODPSFHDJPRSZ-CYBMUJFWSA-N 0 3 375.516 0.509 20 0 GCADHN C[NH+](C)C1CCN(CCNC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000530654516 530154842 /nfs/dbraw/zinc/15/48/42/530154842.db2.gz NLNRTAFDVVPTHS-UHFFFAOYSA-N 0 3 388.559 0.559 20 0 GCADHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000253610851 530116181 /nfs/dbraw/zinc/11/61/81/530116181.db2.gz VFDOOWGWVNDLDP-QWRGUYRKSA-N 0 3 387.278 0.948 20 0 GCADHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000253610851 530116185 /nfs/dbraw/zinc/11/61/85/530116185.db2.gz VFDOOWGWVNDLDP-QWRGUYRKSA-N 0 3 387.278 0.948 20 0 GCADHN CN(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000583928794 530116700 /nfs/dbraw/zinc/11/67/00/530116700.db2.gz OOLPJTTWNVNCDI-AWEZNQCLSA-N 0 3 383.290 0.509 20 0 GCADHN C[C@H](NC(=O)c1cc2c(c(Br)c1)OCO2)C(=O)NCCN(C)C ZINC000583950805 530119126 /nfs/dbraw/zinc/11/91/26/530119126.db2.gz XVYBYKRBXWOENM-VIFPVBQESA-N 0 3 386.246 0.974 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000408464219 530122332 /nfs/dbraw/zinc/12/23/32/530122332.db2.gz FZBYRVPWVQXGMY-KGLIPLIRSA-N 0 3 375.539 0.335 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000418842197 530122444 /nfs/dbraw/zinc/12/24/44/530122444.db2.gz HZJGHVPCIZQIDR-UHFFFAOYSA-N 0 3 397.273 0.369 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Br)cc1)NC[C@@H]1C[C@H](F)CN1 ZINC000648141268 530122860 /nfs/dbraw/zinc/12/28/60/530122860.db2.gz XIAXHTVWYOAEQY-QWRGUYRKSA-N 0 3 394.266 0.544 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000571569215 530127155 /nfs/dbraw/zinc/12/71/55/530127155.db2.gz XHWSRSPVYZDLJI-KKUMJFAQSA-N 0 3 383.901 0.988 20 0 GCADHN COCC[NH2+]CCNC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000262141964 530132309 /nfs/dbraw/zinc/13/23/09/530132309.db2.gz PUWQVVCCZVSIMX-OAHLLOKOSA-N 0 3 375.466 0.481 20 0 GCADHN CS(=O)(=O)C1(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CCNCC1 ZINC000262249696 530132824 /nfs/dbraw/zinc/13/28/24/530132824.db2.gz SMDAFIVWMZGJHT-UHFFFAOYSA-N 0 3 388.873 0.894 20 0 GCADHN NC1(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)CC1 ZINC000237897787 530157276 /nfs/dbraw/zinc/15/72/76/530157276.db2.gz OKWQPGOLBJOAEH-UHFFFAOYSA-N 0 3 388.287 0.773 20 0 GCADHN CSCC[C@@H]([NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000521354524 530138853 /nfs/dbraw/zinc/13/88/53/530138853.db2.gz JGWFWOLZVAZIQR-LLVKDONJSA-N 0 3 383.898 0.954 20 0 GCADHN CCCN(CCC)S(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000668295934 530157519 /nfs/dbraw/zinc/15/75/19/530157519.db2.gz WGLCCRZYZNANLB-UHFFFAOYSA-N 0 3 376.567 0.739 20 0 GCADHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)[C@@H](C)C(=O)NC1CCCC1 ZINC000414232199 530141758 /nfs/dbraw/zinc/14/17/58/530141758.db2.gz WIBXYSOZHSEXKE-RYUDHWBXSA-N 0 3 376.475 0.305 20 0 GCADHN CC(C)OC(=O)CNC(=O)[C@H](C)S(=O)(=O)C(C)C(=O)NC1CCCC1 ZINC000414232199 530141760 /nfs/dbraw/zinc/14/17/60/530141760.db2.gz WIBXYSOZHSEXKE-RYUDHWBXSA-N 0 3 376.475 0.305 20 0 GCADHN COCCN(C)CCNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000263771647 530145943 /nfs/dbraw/zinc/14/59/43/530145943.db2.gz NCGXMZWTHUTBDV-UHFFFAOYSA-N 0 3 377.894 0.703 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CCN1C ZINC000533562759 530147440 /nfs/dbraw/zinc/14/74/40/530147440.db2.gz NUYLBWQTLPYNMP-UPJWGTAASA-N 0 3 375.516 0.665 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N(C)CCN1CCCCC1)C(F)(F)F ZINC000650191827 530149245 /nfs/dbraw/zinc/14/92/45/530149245.db2.gz UQJREUVTRTWLCS-LBPRGKRZSA-N 0 3 388.456 0.936 20 0 GCADHN CCc1nc(S(=O)(=O)C(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)sc1C ZINC000650194508 530150117 /nfs/dbraw/zinc/15/01/17/530150117.db2.gz JQGJNKFNUNOJED-WDEREUQCSA-N 0 3 394.540 0.822 20 0 GCADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)N(CCOC)CCN(C)C)c1 ZINC000264138895 530152272 /nfs/dbraw/zinc/15/22/72/530152272.db2.gz FZSAUWOZNUNXLN-UHFFFAOYSA-N 0 3 375.466 0.774 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000516867457 530188472 /nfs/dbraw/zinc/18/84/72/530188472.db2.gz XXWCTPPQVPVKHP-HDJSIYSDSA-N 0 3 389.543 0.980 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)c1 ZINC000265829082 530191055 /nfs/dbraw/zinc/19/10/55/530191055.db2.gz UBFGDJJLMXFEKN-AWEZNQCLSA-N 0 3 387.527 0.701 20 0 GCADHN C[C@H](NC(=O)C(=O)NC1CNC1)c1cc2c(cc1Br)OCCO2 ZINC000557250923 530194013 /nfs/dbraw/zinc/19/40/13/530194013.db2.gz SMQKMLWGNBPHCM-QMMMGPOBSA-N 0 3 384.230 0.486 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000557248398 530194058 /nfs/dbraw/zinc/19/40/58/530194058.db2.gz CGYDIAOSCJKSKA-UONOGXRCSA-N 0 3 384.274 0.773 20 0 GCADHN Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1Br ZINC000557265035 530194449 /nfs/dbraw/zinc/19/44/49/530194449.db2.gz LHBCPTMUWLFBIB-ZDUSSCGKSA-N 0 3 383.290 0.475 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2csc(Br)c2)n1 ZINC000557492622 530195953 /nfs/dbraw/zinc/19/59/53/530195953.db2.gz GWEYRQMOSAVNJY-UHFFFAOYSA-N 0 3 387.307 0.798 20 0 GCADHN C[C@H](CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)N(C)C1CC1 ZINC000057702014 530196307 /nfs/dbraw/zinc/19/63/07/530196307.db2.gz NFBKKZOGATZUCL-SECBINFHSA-N 0 3 397.277 0.491 20 0 GCADHN C[C@H](CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1 ZINC000048128517 530198199 /nfs/dbraw/zinc/19/81/99/530198199.db2.gz MRGXTOAEZXRIIE-CYBMUJFWSA-N 0 3 387.527 0.983 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCCN(C)C2)cc1 ZINC000625420735 530199648 /nfs/dbraw/zinc/19/96/48/530199648.db2.gz QXHLRBQMUQRIEU-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCCN(C)C2)cc1C ZINC000625425192 530199783 /nfs/dbraw/zinc/19/97/83/530199783.db2.gz 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ZINC000367404828 530207756 /nfs/dbraw/zinc/20/77/56/530207756.db2.gz KMVXSZJTZBBLTE-QWRGUYRKSA-N 0 3 397.469 0.908 20 0 GCADHN CC(C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)S(C)(=O)=O ZINC000046762846 530170211 /nfs/dbraw/zinc/17/02/11/530170211.db2.gz RHMBKJUSLSQKOE-NSHDSACASA-N 0 3 384.483 0.875 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000264914962 530171497 /nfs/dbraw/zinc/17/14/97/530171497.db2.gz OHVYKSUKJLPMFV-CYBMUJFWSA-N 0 3 387.527 0.656 20 0 GCADHN CN(C)CCn1nccc1NC(=O)c1nc2ncc(Br)cn2n1 ZINC000584072958 530172596 /nfs/dbraw/zinc/17/25/96/530172596.db2.gz KBMKVRKABQNRSJ-UHFFFAOYSA-N 0 3 379.222 0.897 20 0 GCADHN [NH3+]C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000565481933 530177593 /nfs/dbraw/zinc/17/75/93/530177593.db2.gz MNSQJQFJXXUQGB-SNVBAGLBSA-N 0 3 381.376 0.170 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1Cl ZINC000265349098 530179714 /nfs/dbraw/zinc/17/97/14/530179714.db2.gz JQGOOLHWRNBUHR-UHFFFAOYSA-N 0 3 389.905 0.949 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000265350654 530179720 /nfs/dbraw/zinc/17/97/20/530179720.db2.gz BPUVPKIXUBMHGN-UHFFFAOYSA-N 0 3 390.893 0.597 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1)C1CC1 ZINC000265409719 530181657 /nfs/dbraw/zinc/18/16/57/530181657.db2.gz WWRFVXXCNFVTDN-UHFFFAOYSA-N 0 3 375.397 0.832 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)NCCNS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000363386183 530183215 /nfs/dbraw/zinc/18/32/15/530183215.db2.gz LFFDLVSLZHCGQJ-ZIAGYGMSSA-N 0 3 376.523 0.066 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000268157602 530222307 /nfs/dbraw/zinc/22/23/07/530222307.db2.gz WQCRGVQAUHYGEN-AWEZNQCLSA-N 0 3 389.543 0.957 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000517915595 530223003 /nfs/dbraw/zinc/22/30/03/530223003.db2.gz PUVSUEBVHVZKRO-CQSZACIVSA-N 0 3 387.527 0.935 20 0 GCADHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000647193875 530225340 /nfs/dbraw/zinc/22/53/40/530225340.db2.gz 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530236848 /nfs/dbraw/zinc/23/68/48/530236848.db2.gz YFLFWWUSPKYLFK-ZDUSSCGKSA-N 0 3 389.543 0.816 20 0 GCADHN C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000269282375 530237072 /nfs/dbraw/zinc/23/70/72/530237072.db2.gz QZOPAKQXIZBLAD-IUCAKERBSA-N 0 3 396.332 0.985 20 0 GCADHN COCCN(C)CCNC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000269326934 530238365 /nfs/dbraw/zinc/23/83/65/530238365.db2.gz AGAIRSRJPJNWNH-UHFFFAOYSA-N 0 3 378.520 0.246 20 0 GCADHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2cn(C)c(Cl)n2)CC1 ZINC000269322508 530238385 /nfs/dbraw/zinc/23/83/85/530238385.db2.gz ZPCBKQFIPBWCOI-UHFFFAOYSA-N 0 3 377.898 0.152 20 0 GCADHN COCCCN(C)CCNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000269341597 530238655 /nfs/dbraw/zinc/23/86/55/530238655.db2.gz GIHNPIWVASRLSA-UHFFFAOYSA-N 0 3 392.547 0.602 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000427116732 530240620 /nfs/dbraw/zinc/24/06/20/530240620.db2.gz XDCFIXNGJNJARX-VIFPVBQESA-N 0 3 385.877 0.779 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NCC2(O)CCN(C)CC2)s1 ZINC000269523088 530242498 /nfs/dbraw/zinc/24/24/98/530242498.db2.gz YTXFQCJJRBFUOA-UHFFFAOYSA-N 0 3 390.531 0.091 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000269757144 530247576 /nfs/dbraw/zinc/24/75/76/530247576.db2.gz BHDGYXAMUJPVEL-UHFFFAOYSA-N 0 3 390.527 0.604 20 0 GCADHN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCO[C@H]([C@H](C)N)C2)c1 ZINC000647234477 530248013 /nfs/dbraw/zinc/24/80/13/530248013.db2.gz RTKJYKQTNQLOIY-STQMWFEESA-N 0 3 376.500 0.444 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1 ZINC000103498314 530249238 /nfs/dbraw/zinc/24/92/38/530249238.db2.gz UUSLNYFXMNKWDY-UHFFFAOYSA-N 0 3 377.898 0.248 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1nc2ncc(Br)cn2n1 ZINC000558409067 530209183 /nfs/dbraw/zinc/20/91/83/530209183.db2.gz JMPLXOKITZRVEK-CQSZACIVSA-N 0 3 381.234 0.073 20 0 GCADHN CN(C)[C@]1(CNC(=O)NCc2ccc(S(N)(=O)=O)s2)CCSC1 ZINC000267221317 530210585 /nfs/dbraw/zinc/21/05/85/530210585.db2.gz URNJLKGRXNPXKF-ZDUSSCGKSA-N 0 3 378.545 0.632 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CCSC1 ZINC000267360467 530211540 /nfs/dbraw/zinc/21/15/40/530211540.db2.gz SDBNZDHUWUZYII-MRXNPFEDSA-N 0 3 385.511 0.582 20 0 GCADHN CCC[N@H+](CC)C[C@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000558615723 530212408 /nfs/dbraw/zinc/21/24/08/530212408.db2.gz BSRILQNPPXYACU-JTQLQIEISA-N 0 3 375.267 0.948 20 0 GCADHN CCC[N@@H+](CC)C[C@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000558615723 530212411 /nfs/dbraw/zinc/21/24/11/530212411.db2.gz BSRILQNPPXYACU-JTQLQIEISA-N 0 3 375.267 0.948 20 0 GCADHN CN(C)[C@H]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 ZINC000105327071 530250763 /nfs/dbraw/zinc/25/07/63/530250763.db2.gz MSOYVXNVJHHDAE-JTQLQIEISA-N 0 3 397.277 0.445 20 0 GCADHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1N(C)C ZINC000536470803 530250901 /nfs/dbraw/zinc/25/09/01/530250901.db2.gz DJZSQCZSLYKGHY-NILFDRSVSA-N 0 3 386.543 0.638 20 0 GCADHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000414460843 530217636 /nfs/dbraw/zinc/21/76/36/530217636.db2.gz DIORCLLNBFUGSV-HOTGVXAUSA-N 0 3 387.527 0.888 20 0 GCADHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1N(C)C ZINC000536470771 530250957 /nfs/dbraw/zinc/25/09/57/530250957.db2.gz DJZSQCZSLYKGHY-BYCMXARLSA-N 0 3 386.543 0.638 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000268012764 530219389 /nfs/dbraw/zinc/21/93/89/530219389.db2.gz VATGNAOMEOIDOD-CYBMUJFWSA-N 0 3 377.532 0.890 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)NCCOCCS(C)(=O)=O ZINC000268031609 530220038 /nfs/dbraw/zinc/22/00/38/530220038.db2.gz MJIVAQUAJBJJDW-UHFFFAOYSA-N 0 3 377.532 0.883 20 0 GCADHN C[C@H]1CN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@@H]1N(C)C ZINC000268106109 530221491 /nfs/dbraw/zinc/22/14/91/530221491.db2.gz BXOYBNLZWQRTPI-BBRMVZONSA-N 0 3 387.527 0.797 20 0 GCADHN CC[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC[C@@H]1[NH3+] ZINC000647269305 530272253 /nfs/dbraw/zinc/27/22/53/530272253.db2.gz QAJOLADNBGEKEL-MFKMUULPSA-N 0 3 379.479 0.945 20 0 GCADHN CS(=O)(=O)N(c1ccc(OCCN[C@H]2CCOC2)cc1)S(C)(=O)=O ZINC000271477432 530272659 /nfs/dbraw/zinc/27/26/59/530272659.db2.gz XANBSTDLEBUKOD-LBPRGKRZSA-N 0 3 378.472 0.170 20 0 GCADHN COCCNCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000153975255 530274705 /nfs/dbraw/zinc/27/47/05/530274705.db2.gz HYMUJLFYFVKHGY-UHFFFAOYSA-N 0 3 384.274 0.970 20 0 GCADHN C[C@H](NCC1CCN(S(C)(=O)=O)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271678127 530274707 /nfs/dbraw/zinc/27/47/07/530274707.db2.gz JDWJNFVOUBMIOR-LBPRGKRZSA-N 0 3 375.516 0.656 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000123743465 530275255 /nfs/dbraw/zinc/27/52/55/530275255.db2.gz HLFFWGVDDUCYAP-CYBMUJFWSA-N 0 3 378.292 0.669 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(N(C)CCN(C)C2CC2)c(S(N)(=O)=O)c1 ZINC000561273187 530275572 /nfs/dbraw/zinc/27/55/72/530275572.db2.gz VYLNYBWVGUJFNO-UHFFFAOYSA-N 0 3 390.531 0.115 20 0 GCADHN COC(=O)CN1CCC([NH2+]CC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000271802061 530276251 /nfs/dbraw/zinc/27/62/51/530276251.db2.gz LIIGOPQVDWJTJS-UHFFFAOYSA-N 0 3 395.934 0.907 20 0 GCADHN CN(C)CCOc1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)ccn1 ZINC000272659131 530282063 /nfs/dbraw/zinc/28/20/63/530282063.db2.gz HMPFURSOWVGTIN-UHFFFAOYSA-N 0 3 384.483 0.661 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128245354 530283640 /nfs/dbraw/zinc/28/36/40/530283640.db2.gz YNPSDJXOVDYSHQ-LLVKDONJSA-N 0 3 385.262 0.243 20 0 GCADHN CN(C1CNC1)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C ZINC000647299380 530283704 /nfs/dbraw/zinc/28/37/04/530283704.db2.gz BUCJBFXHTQVGEQ-UHFFFAOYSA-N 0 3 389.275 0.232 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)N(C)C ZINC000273053363 530285170 /nfs/dbraw/zinc/28/51/70/530285170.db2.gz VTUGICOPHQWGEX-KYOSRNDESA-N 0 3 389.905 0.530 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@@H]1CC[NH2+]C1 ZINC000273090791 530285574 /nfs/dbraw/zinc/28/55/74/530285574.db2.gz ZVZXXOCZRRRTNC-MRVPVSSYSA-N 0 3 382.305 0.515 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1 ZINC000273536687 530288968 /nfs/dbraw/zinc/28/89/68/530288968.db2.gz SEHIMEQSTUTAKI-CYBMUJFWSA-N 0 3 389.543 0.946 20 0 GCADHN CC(C)(CC(N)=O)NCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000273533364 530289114 /nfs/dbraw/zinc/28/91/14/530289114.db2.gz RTCGYAMJZVWMAB-LBPRGKRZSA-N 0 3 387.527 0.507 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000131942124 530289958 /nfs/dbraw/zinc/28/99/58/530289958.db2.gz BOSIKUMXQWUGBB-AWEZNQCLSA-N 0 3 376.226 0.956 20 0 GCADHN COc1ccc(Br)cc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000269882694 530253234 /nfs/dbraw/zinc/25/32/34/530253234.db2.gz IRZAKYIARADTBP-OAHLLOKOSA-N 0 3 388.262 0.825 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(OC)c1 ZINC000564963551 530259497 /nfs/dbraw/zinc/25/94/97/530259497.db2.gz NQGQOUHZZTYCGE-MNOVXSKESA-N 0 3 379.504 0.861 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1)CN1CCN(C)CC1 ZINC000114141076 530262047 /nfs/dbraw/zinc/26/20/47/530262047.db2.gz JKUMWDJGFAWDBE-KGLIPLIRSA-N 0 3 388.559 0.415 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000626023960 530262242 /nfs/dbraw/zinc/26/22/42/530262242.db2.gz XEFNLSSWTVUSND-JYJNAYRXSA-N 0 3 375.535 0.664 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1 ZINC000270714440 530263300 /nfs/dbraw/zinc/26/33/00/530263300.db2.gz GYYRYPDWWWTGPG-HUUCEWRRSA-N 0 3 387.527 0.986 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1 ZINC000270749300 530263658 /nfs/dbraw/zinc/26/36/58/530263658.db2.gz IZKNARVDMZQHQB-LBPRGKRZSA-N 0 3 376.500 0.670 20 0 GCADHN C[C@H](CCO)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000564975956 530264018 /nfs/dbraw/zinc/26/40/18/530264018.db2.gz PSIIGECHAYMAOP-CYBMUJFWSA-N 0 3 378.516 0.319 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccncc2Br)CC1=O ZINC000560587219 530267668 /nfs/dbraw/zinc/26/76/68/530267668.db2.gz WTHFXMJYYUDPOB-LBPRGKRZSA-N 0 3 399.289 0.753 20 0 GCADHN CS[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@H]1N(C)C ZINC000271129710 530268304 /nfs/dbraw/zinc/26/83/04/530268304.db2.gz MPCDMQRALKZLMM-NEPJUHHUSA-N 0 3 377.557 0.921 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000562831413 530296287 /nfs/dbraw/zinc/29/62/87/530296287.db2.gz CSNHREYUOUQJQG-AWEZNQCLSA-N 0 3 397.950 0.841 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)C(=O)NCC(F)(F)CO)cc1Cl ZINC000274423931 530296418 /nfs/dbraw/zinc/29/64/18/530296418.db2.gz UPAWQRNGQUXUBX-UHFFFAOYSA-N 0 3 379.791 0.963 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1c(F)cccc1Br ZINC000274457956 530296844 /nfs/dbraw/zinc/29/68/44/530296844.db2.gz NRQFGQVVMGYPAW-UHFFFAOYSA-N 0 3 376.226 0.957 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000274510461 530297140 /nfs/dbraw/zinc/29/71/40/530297140.db2.gz GZGSXFRGTULPPN-CYBMUJFWSA-N 0 3 375.516 0.332 20 0 GCADHN CCN(CCO)CCNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000274514439 530297546 /nfs/dbraw/zinc/29/75/46/530297546.db2.gz HRSKPKURAQHLGP-UHFFFAOYSA-N 0 3 394.291 0.141 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000274528690 530297615 /nfs/dbraw/zinc/29/76/15/530297615.db2.gz ZSXVMVTYWFEIAW-VWLOTQADSA-N 0 3 389.905 0.587 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000274538284 530297619 /nfs/dbraw/zinc/29/76/19/530297619.db2.gz KGCWGULNRUFTGW-UHFFFAOYSA-N 0 3 393.893 0.566 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000274609254 530298446 /nfs/dbraw/zinc/29/84/46/530298446.db2.gz YWQCRNFFAPVFMS-CQSZACIVSA-N 0 3 389.543 0.640 20 0 GCADHN COCCCN1CCC(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000588980920 530301940 /nfs/dbraw/zinc/30/19/40/530301940.db2.gz HYTLMQOKWMYFAH-HNNXBMFYSA-N 0 3 376.523 0.211 20 0 GCADHN CC(C)CN1CCC[C@@H](CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000448162958 530306261 /nfs/dbraw/zinc/30/62/61/530306261.db2.gz AKXLINVJPSPBAV-AWEZNQCLSA-N 0 3 389.543 0.980 20 0 GCADHN CN(C)CCN(C)CCCN(C)C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635934405 530308475 /nfs/dbraw/zinc/30/84/75/530308475.db2.gz PVCHRZHVFGTUKR-STQMWFEESA-N 0 3 387.468 0.551 20 0 GCADHN COC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000569847659 530312189 /nfs/dbraw/zinc/31/21/89/530312189.db2.gz DPNGKODOGSDZBI-UHFFFAOYSA-N 0 3 377.413 0.128 20 0 GCADHN CCS(=O)(=O)NCCNC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000569919999 530312731 /nfs/dbraw/zinc/31/27/31/530312731.db2.gz BHXSTWGCVOITNZ-LBPRGKRZSA-N 0 3 399.282 0.857 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCNS(C)(=O)=O ZINC000062478343 530314073 /nfs/dbraw/zinc/31/40/73/530314073.db2.gz VOYUUOLFAAJVFI-UHFFFAOYSA-N 0 3 378.445 0.587 20 0 GCADHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275654462 530314209 /nfs/dbraw/zinc/31/42/09/530314209.db2.gz XYZWWUOIYMYUNM-UHFFFAOYSA-N 0 3 377.532 0.947 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000275766333 530315614 /nfs/dbraw/zinc/31/56/14/530315614.db2.gz LGJHYDXWCCOMQU-AWEZNQCLSA-N 0 3 389.543 0.899 20 0 GCADHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275750882 530315696 /nfs/dbraw/zinc/31/56/96/530315696.db2.gz JCLHPUAUAUSTME-UONOGXRCSA-N 0 3 389.543 0.898 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000153589106 530316584 /nfs/dbraw/zinc/31/65/84/530316584.db2.gz PTGODMCEAYTDID-UHFFFAOYSA-N 0 3 384.278 0.536 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000570225714 530317235 /nfs/dbraw/zinc/31/72/35/530317235.db2.gz LVSCVHGADLOSOJ-CMPLNLGQSA-N 0 3 385.251 0.380 20 0 GCADHN Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000570464961 530320459 /nfs/dbraw/zinc/32/04/59/530320459.db2.gz XPQHCYLHARKYMY-ZYHUDNBSSA-N 0 3 388.287 0.690 20 0 GCADHN CC[C@@H](CCO)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000570803202 530325352 /nfs/dbraw/zinc/32/53/52/530325352.db2.gz JGVHZVGAGSDTQS-AWEZNQCLSA-N 0 3 392.543 0.709 20 0 GCADHN Cn1cc(CNC[C@@H](CO)Cc2ccccc2Br)c(=O)n(C)c1=O ZINC000277017271 530328435 /nfs/dbraw/zinc/32/84/35/530328435.db2.gz MFQRUCKLBFMTQK-LBPRGKRZSA-N 0 3 396.285 0.787 20 0 GCADHN O=S1(=O)CCO[C@H](CNC[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644612638 530359655 /nfs/dbraw/zinc/35/96/55/530359655.db2.gz SGKGLQHFWOAMBC-GXTWGEPZSA-N 0 3 383.388 0.848 20 0 GCADHN O=S(=O)([N-]CC[NH2+]C[C@@H](O)Cn1cccn1)c1ccc(Cl)cc1F ZINC000644639726 530359684 /nfs/dbraw/zinc/35/96/84/530359684.db2.gz SAURKTTYSBPMER-GFCCVEGCSA-N 0 3 376.841 0.605 20 0 GCADHN CN(C)CC1(NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCC1 ZINC000281592087 530360761 /nfs/dbraw/zinc/36/07/61/530360761.db2.gz RDVODIBBASPJSZ-UHFFFAOYSA-N 0 3 375.516 0.700 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000178147321 530363563 /nfs/dbraw/zinc/36/35/63/530363563.db2.gz FQGMYTFZNOYMQB-ZDUSSCGKSA-N 0 3 397.273 0.516 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000282033368 530365913 /nfs/dbraw/zinc/36/59/13/530365913.db2.gz VLMVGLZNTDJKBH-UONOGXRCSA-N 0 3 387.527 0.700 20 0 GCADHN CSC1(CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CCN(C)CC1 ZINC000462512465 530334922 /nfs/dbraw/zinc/33/49/22/530334922.db2.gz QGTRACUQMGOCDH-ZIAGYGMSSA-N 0 3 392.591 0.973 20 0 GCADHN CSC1(CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CCN(C)CC1 ZINC000589608709 530345506 /nfs/dbraw/zinc/34/55/06/530345506.db2.gz LQLMICQYPVFGPR-ZDUSSCGKSA-N 0 3 378.564 0.537 20 0 GCADHN CSC1(CNC(=O)CCNS(=O)(=O)c2cccnc2)CCN(C)CC1 ZINC000589624467 530345852 /nfs/dbraw/zinc/34/58/52/530345852.db2.gz VBCOIDCOMRVJTM-UHFFFAOYSA-N 0 3 386.543 0.694 20 0 GCADHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000589792401 530346229 /nfs/dbraw/zinc/34/62/29/530346229.db2.gz CUIYKYSBWZFBOA-UHFFFAOYSA-N 0 3 377.413 0.763 20 0 GCADHN CC(C)N(CCCNC(=O)CN(CCO)[C@@H]1CC[C@H](C)C1)S(C)(=O)=O ZINC000580261084 530349500 /nfs/dbraw/zinc/34/95/00/530349500.db2.gz RHCJWYSCVMUFGO-JKSUJKDBSA-N 0 3 377.551 0.646 20 0 GCADHN O=C(NCCNC[C@H](O)COc1cccc(Br)c1)c1ccn[nH]1 ZINC000563014516 530350389 /nfs/dbraw/zinc/35/03/89/530350389.db2.gz XKXQLJBIKIEDSB-LBPRGKRZSA-N 0 3 383.246 0.932 20 0 GCADHN C[N@@H+]1CC[C@](O)(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000460262007 530351479 /nfs/dbraw/zinc/35/14/79/530351479.db2.gz LJBKXXYHKBQUHK-ZDUSSCGKSA-N 0 3 396.922 0.046 20 0 GCADHN C[N@H+]1CC[C@](O)(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000460262007 530351481 /nfs/dbraw/zinc/35/14/81/530351481.db2.gz LJBKXXYHKBQUHK-ZDUSSCGKSA-N 0 3 396.922 0.046 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N(C)CCN1CCCC1 ZINC000643078436 530351809 /nfs/dbraw/zinc/35/18/09/530351809.db2.gz DPXZJGSNNSMKEW-HNNXBMFYSA-N 0 3 375.539 0.385 20 0 GCADHN CC(C)[C@H](CCO)NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000460361664 530352650 /nfs/dbraw/zinc/35/26/50/530352650.db2.gz HQAUZCFIUYXIEC-OAGGEKHMSA-N 0 3 376.519 0.178 20 0 GCADHN C[NH+]1CCC(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000174020890 530353436 /nfs/dbraw/zinc/35/34/36/530353436.db2.gz TXWKWMRXIVDLCL-UHFFFAOYSA-N 0 3 396.332 0.999 20 0 GCADHN C[C@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)CN1CCCCC1 ZINC000280718110 530353827 /nfs/dbraw/zinc/35/38/27/530353827.db2.gz LZFGMKBTOSBDEH-CYBMUJFWSA-N 0 3 375.516 0.885 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CN1CC[NH2+]CC1 ZINC000637980818 530353883 /nfs/dbraw/zinc/35/38/83/530353883.db2.gz MVHQZIDOIRIYNT-UHFFFAOYSA-N 0 3 380.392 0.921 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)cn1 ZINC000280741719 530354405 /nfs/dbraw/zinc/35/44/05/530354405.db2.gz OMJZQPFRPYKCFP-AWEZNQCLSA-N 0 3 387.527 0.982 20 0 GCADHN CC(C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000183722795 530374723 /nfs/dbraw/zinc/37/47/23/530374723.db2.gz LQLRUJYTDFZHTH-KWQFWETISA-N 0 3 377.260 0.867 20 0 GCADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)[C@H](C)CN1 ZINC000582063447 530375074 /nfs/dbraw/zinc/37/50/74/530375074.db2.gz LDBIJGPJQWPGMP-GHMZBOCLSA-N 0 3 390.303 0.936 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1nc2ncc(Br)cn2n1 ZINC000184408509 530375505 /nfs/dbraw/zinc/37/55/05/530375505.db2.gz KXZNFBCIIBVHMK-LLVKDONJSA-N 0 3 396.293 0.643 20 0 GCADHN CCCNc1nnc(S(=O)(=O)C(C)C(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000283368791 530379347 /nfs/dbraw/zinc/37/93/47/530379347.db2.gz LYEPTMVIOKGAET-ZJUUUORDSA-N 0 3 389.503 0.246 20 0 GCADHN COc1cccc(CS(=O)(=O)C(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000283381208 530379381 /nfs/dbraw/zinc/37/93/81/530379381.db2.gz MUDHWGWCINGNGT-JSGCOSHPSA-N 0 3 389.495 0.644 20 0 GCADHN C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000186859758 530379438 /nfs/dbraw/zinc/37/94/38/530379438.db2.gz NFHBAAPPSMQKCJ-BDAKNGLRSA-N 0 3 396.332 0.903 20 0 GCADHN CN(C)[C@@H]1CCCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000601354113 530380364 /nfs/dbraw/zinc/38/03/64/530380364.db2.gz MJGKUMYBECXGKO-CABCVRRESA-N 0 3 376.523 0.211 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000187732401 530381270 /nfs/dbraw/zinc/38/12/70/530381270.db2.gz HQENCOHINPSLLM-UHFFFAOYSA-N 0 3 385.262 0.639 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1F ZINC000497354698 530382227 /nfs/dbraw/zinc/38/22/27/530382227.db2.gz LCKQARUAAAUHBZ-NSHDSACASA-N 0 3 379.479 0.947 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(OC)c1 ZINC000497362514 530382280 /nfs/dbraw/zinc/38/22/80/530382280.db2.gz HTCPJGXNRNBVAY-DGCLKSJQSA-N 0 3 391.515 0.815 20 0 GCADHN CCN(CCC[NH+](CC)CC)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000188057528 530382769 /nfs/dbraw/zinc/38/27/69/530382769.db2.gz LAKNUMJJSBREQF-UHFFFAOYSA-N 0 3 389.294 0.880 20 0 GCADHN CO[C@H]1C[C@@H](CN(C)C(=O)CNC(=O)c2ccc(Br)o2)N(C)C1 ZINC000284597282 530386101 /nfs/dbraw/zinc/38/61/01/530386101.db2.gz JMGHXUWSGRXKFB-QWRGUYRKSA-N 0 3 388.262 0.949 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000192059369 530389564 /nfs/dbraw/zinc/38/95/64/530389564.db2.gz HWGZJJXARVFKQH-UHFFFAOYSA-N 0 3 386.294 0.809 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)C(=O)NCCC2 ZINC000658381570 530390689 /nfs/dbraw/zinc/39/06/89/530390689.db2.gz UTAPZNMGDWXOFW-LLVKDONJSA-N 0 3 377.413 0.632 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)COc1cccc(I)c1 ZINC000590370238 530369961 /nfs/dbraw/zinc/36/99/61/530369961.db2.gz WFGNKQKIBKLCTD-LLVKDONJSA-N 0 3 378.210 0.709 20 0 GCADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Cn1ncn(C)c1=O ZINC000181107614 530370421 /nfs/dbraw/zinc/37/04/21/530370421.db2.gz VBPJCAJIAPCIQT-UHFFFAOYSA-N 0 3 396.289 0.935 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000181446931 530371375 /nfs/dbraw/zinc/37/13/75/530371375.db2.gz BWTHSNOGGACEPQ-UHFFFAOYSA-N 0 3 384.278 0.536 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000181446527 530371464 /nfs/dbraw/zinc/37/14/64/530371464.db2.gz FUKHATDUTSCLSP-LLVKDONJSA-N 0 3 399.289 0.934 20 0 GCADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](N)CCSC)CC1 ZINC000497946674 530395978 /nfs/dbraw/zinc/39/59/78/530395978.db2.gz SUGBIVFRXWNVQN-CYBMUJFWSA-N 0 3 386.543 0.324 20 0 GCADHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000285797719 530397107 /nfs/dbraw/zinc/39/71/07/530397107.db2.gz VSHMIXKZDUZXER-TZMCWYRMSA-N 0 3 387.527 0.941 20 0 GCADHN CNS(=O)(=O)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285924313 530397725 /nfs/dbraw/zinc/39/77/25/530397725.db2.gz AXQNEGSBJNYSJC-CQSZACIVSA-N 0 3 375.441 0.809 20 0 GCADHN C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000287083729 530406198 /nfs/dbraw/zinc/40/61/98/530406198.db2.gz NLPCPQLKMWDUAH-PJGQNWHFSA-N 0 3 385.555 0.960 20 0 GCADHN CN(C[C@H]1CCN(C)C1)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000591261419 530407154 /nfs/dbraw/zinc/40/71/54/530407154.db2.gz FMQRLTCZTPDCJP-ZDUSSCGKSA-N 0 3 387.527 0.793 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1(C)C ZINC000645302848 530407834 /nfs/dbraw/zinc/40/78/34/530407834.db2.gz XZKAEJAIFFOCNQ-DYVFJYSZSA-N 0 3 375.535 0.887 20 0 GCADHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3cnn(CC(F)F)c3)CC2)C1 ZINC000364415136 530395354 /nfs/dbraw/zinc/39/53/54/530395354.db2.gz KQANLYFXZOQDEW-CYBMUJFWSA-N 0 3 377.461 0.549 20 0 GCADHN Cc1cc(N2CC[C@@H](NC(=O)CN3CCNCC3)C2=O)ccc1Br ZINC000638301251 530411546 /nfs/dbraw/zinc/41/15/46/530411546.db2.gz SMOIOFYPRMXNQZ-OAHLLOKOSA-N 0 3 395.301 0.884 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cnc(NC(C)=O)s2)CC1 ZINC000288088865 530414761 /nfs/dbraw/zinc/41/47/61/530414761.db2.gz KKMOBYCQUXQFKN-GFCCVEGCSA-N 0 3 389.547 0.653 20 0 GCADHN CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000638325565 530416705 /nfs/dbraw/zinc/41/67/05/530416705.db2.gz IEEDHPXYDIIWQK-ABAIWWIYSA-N 0 3 393.868 0.641 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)s1 ZINC000592482203 530417298 /nfs/dbraw/zinc/41/72/98/530417298.db2.gz DTQXGPDNMSMVSY-SNVBAGLBSA-N 0 3 383.499 0.619 20 0 GCADHN COC(=O)CC[C@@H](N)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000288526781 530418913 /nfs/dbraw/zinc/41/89/13/530418913.db2.gz DEWPEMAAAHIBDU-ZYHUDNBSSA-N 0 3 389.246 0.586 20 0 GCADHN CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288600409 530419208 /nfs/dbraw/zinc/41/92/08/530419208.db2.gz KPSOUZBEIUUAMP-JTQLQIEISA-N 0 3 376.504 0.242 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)COc3ccc(Br)cn3)C[C@H]2N)cn1 ZINC000638366038 530423913 /nfs/dbraw/zinc/42/39/13/530423913.db2.gz JZSHREZZDPQOKS-QWHCGFSZSA-N 0 3 380.246 0.910 20 0 GCADHN CN(C)CCN(C)CCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000289059592 530422810 /nfs/dbraw/zinc/42/28/10/530422810.db2.gz MVCYBNFLCOLZHK-UHFFFAOYSA-N 0 3 391.559 0.789 20 0 GCADHN COCCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000289566470 530425562 /nfs/dbraw/zinc/42/55/62/530425562.db2.gz CZZRXSJZKGHEMR-UHFFFAOYSA-N 0 3 389.905 0.845 20 0 GCADHN C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(Br)c1)N(C)C ZINC000289547129 530425847 /nfs/dbraw/zinc/42/58/47/530425847.db2.gz MVNWGGOINWSHDT-JTQLQIEISA-N 0 3 378.292 0.794 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000593910875 530426034 /nfs/dbraw/zinc/42/60/34/530426034.db2.gz GDOBHGDCGOPVJD-SNVBAGLBSA-N 0 3 381.907 0.517 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290742861 530436306 /nfs/dbraw/zinc/43/63/06/530436306.db2.gz YYBNVYNUZOJJIE-HNNXBMFYSA-N 0 3 375.466 0.501 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000290821310 530436675 /nfs/dbraw/zinc/43/66/75/530436675.db2.gz GUEAFUCMVJOVQF-OAHLLOKOSA-N 0 3 375.466 0.501 20 0 GCADHN CS(=O)(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C(F)(F)F)c1 ZINC000594702017 530437821 /nfs/dbraw/zinc/43/78/21/530437821.db2.gz SOFKNGIUQYPKBY-JOYOIKCWSA-N 0 3 377.388 0.857 20 0 GCADHN Cc1cc(Br)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000594875821 530442691 /nfs/dbraw/zinc/44/26/91/530442691.db2.gz SQFOJFMVXHIVCY-PSASIEDQSA-N 0 3 394.316 0.752 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3C(F)(F)F)CCN2C1=O ZINC000594875530 530442694 /nfs/dbraw/zinc/44/26/94/530442694.db2.gz IGVFNWDQLHYISH-DGCLKSJQSA-N 0 3 377.388 0.779 20 0 GCADHN Cc1sc(Br)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875761 530442782 /nfs/dbraw/zinc/44/27/82/530442782.db2.gz YNRUZTRASSVCRT-BDAKNGLRSA-N 0 3 394.316 0.752 20 0 GCADHN Cc1ccc(Br)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594874564 530443084 /nfs/dbraw/zinc/44/30/84/530443084.db2.gz BIXDJMZTQHLAAD-VXGBXAGGSA-N 0 3 388.287 0.690 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000291864960 530443512 /nfs/dbraw/zinc/44/35/12/530443512.db2.gz JFFGYTDIMRZBQI-INIZCTEOSA-N 0 3 387.527 0.653 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCCCn2cc(Br)cn2)CC1=O ZINC000291681836 530442129 /nfs/dbraw/zinc/44/21/29/530442129.db2.gz HVZYWTBHSNVGLB-GFCCVEGCSA-N 0 3 386.294 0.562 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000595278998 530445640 /nfs/dbraw/zinc/44/56/40/530445640.db2.gz WLGDUKLXZHZPJW-GWCFXTLKSA-N 0 3 385.251 0.380 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000595279002 530445724 /nfs/dbraw/zinc/44/57/24/530445724.db2.gz WLGDUKLXZHZPJW-GXFFZTMASA-N 0 3 385.251 0.380 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c(OC)c1 ZINC000292490564 530447244 /nfs/dbraw/zinc/44/72/44/530447244.db2.gz CKUXSIVHHLQEFW-GFCCVEGCSA-N 0 3 393.531 0.933 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292131248 530445126 /nfs/dbraw/zinc/44/51/26/530445126.db2.gz XWIIVZZCCWGJEU-MRXNPFEDSA-N 0 3 387.527 0.653 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(Br)ccc3F)CCN2C1=O ZINC000595242273 530445147 /nfs/dbraw/zinc/44/51/47/530445147.db2.gz PDCARWXUIGDVTJ-KOLCDFICSA-N 0 3 399.220 0.297 20 0 GCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)CC1CCS(=O)(=O)CC1 ZINC000292876059 530450539 /nfs/dbraw/zinc/45/05/39/530450539.db2.gz XMIVQEURPAQCMU-UHFFFAOYSA-N 0 3 376.500 0.469 20 0 GCADHN Cn1ncc(C(=O)NC[C@@H](O)CN2CCCCC2)c1I ZINC000293582286 530454605 /nfs/dbraw/zinc/45/46/05/530454605.db2.gz CKSKKZZIRWKZSM-SNVBAGLBSA-N 0 3 392.241 0.601 20 0 GCADHN CSCC[C@H](N)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000595939059 530452040 /nfs/dbraw/zinc/45/20/40/530452040.db2.gz URMDFJGCZOSRIA-JTQLQIEISA-N 0 3 375.292 0.771 20 0 GCADHN COCCN1CCC(NC(=O)c2cnn(C)c2I)CC1 ZINC000294076934 530457349 /nfs/dbraw/zinc/45/73/49/530457349.db2.gz LANZBMWRASZDTK-UHFFFAOYSA-N 0 3 392.241 0.865 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccs1)N[C@@H]1CCCN(CCCO)C1 ZINC000295330603 530462621 /nfs/dbraw/zinc/46/26/21/530462621.db2.gz DAGPFRVMPAKWRM-CYBMUJFWSA-N 0 3 375.516 0.380 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000295422456 530463566 /nfs/dbraw/zinc/46/35/66/530463566.db2.gz KEBGQYYIRVZOBK-STQMWFEESA-N 0 3 375.516 0.378 20 0 GCADHN CCOC(=O)c1cc(C)sc1NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000295497019 530463899 /nfs/dbraw/zinc/46/38/99/530463899.db2.gz ZTIHKNYPYRWDOU-SECBINFHSA-N 0 3 389.455 0.579 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCN(CCCO)C1 ZINC000295457756 530463974 /nfs/dbraw/zinc/46/39/74/530463974.db2.gz MMIMXANNAVTASS-CQSZACIVSA-N 0 3 389.905 0.581 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc4c(cc3Br)OCO4)CCN2C1=O ZINC000598668872 530464593 /nfs/dbraw/zinc/46/45/93/530464593.db2.gz QSRVEVXHKKVFOH-LDYMZIIASA-N 0 3 382.214 0.562 20 0 GCADHN CNS(=O)(=O)NC1CCN(CCC(=O)N2CCc3sccc3C2)CC1 ZINC000298535859 530481725 /nfs/dbraw/zinc/48/17/25/530481725.db2.gz MRJRWZPDPVKJGI-UHFFFAOYSA-N 0 3 386.543 0.541 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cc(OC)c(OC)cc2F)CC1 ZINC000298528624 530481822 /nfs/dbraw/zinc/48/18/22/530481822.db2.gz YVCYCIKHKLXHJQ-UHFFFAOYSA-N 0 3 375.466 0.759 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000298530488 530481836 /nfs/dbraw/zinc/48/18/36/530481836.db2.gz ZYFJXMLDBGAPMR-UHFFFAOYSA-N 0 3 375.516 0.006 20 0 GCADHN CC(C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000298687469 530482550 /nfs/dbraw/zinc/48/25/50/530482550.db2.gz CAXBBTPHLWHSAD-BXUZGUMPSA-N 0 3 387.889 0.444 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nc2ccccc2s1 ZINC000298686985 530482575 /nfs/dbraw/zinc/48/25/75/530482575.db2.gz LYOYZHDDPPEOFJ-NXEZZACHSA-N 0 3 388.492 0.762 20 0 GCADHN O=C(CN1CCNCC1)NCCc1ccc(I)s1 ZINC000602449632 530483680 /nfs/dbraw/zinc/48/36/80/530483680.db2.gz FKEOJVIOUSRPFK-UHFFFAOYSA-N 0 3 379.267 0.917 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000298822334 530483809 /nfs/dbraw/zinc/48/38/09/530483809.db2.gz TYZSUVAYIAGDII-NSHDSACASA-N 0 3 394.902 0.606 20 0 GCADHN CCN[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000602497812 530483865 /nfs/dbraw/zinc/48/38/65/530483865.db2.gz ARTUXAPCKIYXEB-LLVKDONJSA-N 0 3 389.499 0.366 20 0 GCADHN CN(C)CCOCCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F ZINC000463248103 530475759 /nfs/dbraw/zinc/47/57/59/530475759.db2.gz RGZVBARLXICXOP-UHFFFAOYSA-N 0 3 376.454 0.776 20 0 GCADHN O=C(c1ccc(I)cn1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599941507 530475815 /nfs/dbraw/zinc/47/58/15/530475815.db2.gz WPCHJQVLMPOOSV-VXGBXAGGSA-N 0 3 387.221 0.967 20 0 GCADHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000608037930 530497531 /nfs/dbraw/zinc/49/75/31/530497531.db2.gz CHPCIDPARJFASU-ZDUSSCGKSA-N 0 3 375.516 0.829 20 0 GCADHN CC1CCN(C[C@@H](O)CNC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000518813920 530498727 /nfs/dbraw/zinc/49/87/27/530498727.db2.gz DWGIQYGRPSRPBS-AWEZNQCLSA-N 0 3 378.539 0.096 20 0 GCADHN O=C(NCCN1CCCCC1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000299269999 530488749 /nfs/dbraw/zinc/48/87/49/530488749.db2.gz AUQKXZYPIDPTPB-UHFFFAOYSA-N 0 3 386.543 0.968 20 0 GCADHN Cc1cc(CS(=O)(=O)C(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000299243961 530488759 /nfs/dbraw/zinc/48/87/59/530488759.db2.gz LRPMJXMLVYAIOB-DGCLKSJQSA-N 0 3 379.525 0.972 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCCN(C)CC2)cs1 ZINC000603404843 530489524 /nfs/dbraw/zinc/48/95/24/530489524.db2.gz ZZBLMUKZDKXUHI-UHFFFAOYSA-N 0 3 375.516 0.841 20 0 GCADHN CC(C(=O)NCCNC(=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000299581482 530491966 /nfs/dbraw/zinc/49/19/66/530491966.db2.gz 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GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000566786925 530534171 /nfs/dbraw/zinc/53/41/71/530534171.db2.gz GMLKQWKODHZFSU-MELADBBJSA-N 0 3 382.258 0.526 20 0 GCADHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000330929162 530534840 /nfs/dbraw/zinc/53/48/40/530534840.db2.gz YEUIFWORJDOLNE-CYBMUJFWSA-N 0 3 375.516 0.829 20 0 GCADHN CN(C)CCOCCNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000425986155 530550460 /nfs/dbraw/zinc/55/04/60/530550460.db2.gz CFSHITRIBVRKNL-UHFFFAOYSA-N 0 3 378.539 0.457 20 0 GCADHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000330929163 530534973 /nfs/dbraw/zinc/53/49/73/530534973.db2.gz YEUIFWORJDOLNE-ZDUSSCGKSA-N 0 3 375.516 0.829 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566915920 530535249 /nfs/dbraw/zinc/53/52/49/530535249.db2.gz QDQCQHHEWFLPNE-CHWSQXEVSA-N 0 3 375.516 0.733 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000331032968 530536452 /nfs/dbraw/zinc/53/64/52/530536452.db2.gz IQSHFNDDGNIHSA-UHFFFAOYSA-N 0 3 388.559 0.802 20 0 GCADHN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC[C@H]1CNCCO1 ZINC000567041523 530537045 /nfs/dbraw/zinc/53/70/45/530537045.db2.gz KTIPBNANKIVPLO-SNVBAGLBSA-N 0 3 382.214 0.150 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000443750986 530538034 /nfs/dbraw/zinc/53/80/34/530538034.db2.gz RUOSOSCCFSYHGB-QMMMGPOBSA-N 0 3 380.189 0.705 20 0 GCADHN N[C@H]1C[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)CCN2C1=O ZINC000567249942 530540252 /nfs/dbraw/zinc/54/02/52/530540252.db2.gz ZPOWUMSZVMQIJV-KCJUWKMLSA-N 0 3 378.376 0.101 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000331211322 530542182 /nfs/dbraw/zinc/54/21/82/530542182.db2.gz YPIJFDPFIBZWSD-OAHLLOKOSA-N 0 3 389.543 0.841 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)C1(C)C ZINC000444129170 530542400 /nfs/dbraw/zinc/54/24/00/530542400.db2.gz HXLUEDAMUXAORJ-YOEHRIQHSA-N 0 3 375.535 0.791 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)C1(C)C ZINC000444129167 530542486 /nfs/dbraw/zinc/54/24/86/530542486.db2.gz HXLUEDAMUXAORJ-PBHICJAKSA-N 0 3 375.535 0.791 20 0 GCADHN CCN(CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(C)C ZINC000444170311 530543127 /nfs/dbraw/zinc/54/31/27/530543127.db2.gz SSUAFAMMUDKPDC-UHFFFAOYSA-N 0 3 377.532 0.615 20 0 GCADHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000331277545 530543099 /nfs/dbraw/zinc/54/30/99/530543099.db2.gz RWAGPQIWHRGRNC-MGPQQGTHSA-N 0 3 389.543 0.979 20 0 GCADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000331277546 530543344 /nfs/dbraw/zinc/54/33/44/530543344.db2.gz RWAGPQIWHRGRNC-MJBXVCDLSA-N 0 3 389.543 0.979 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000331326463 530545607 /nfs/dbraw/zinc/54/56/07/530545607.db2.gz MVGRXARSDAXDKT-KXUCPTDWSA-N 0 3 395.421 0.708 20 0 GCADHN CC(C)N(CCCNC(=O)CN(C)CC1(N(C)C)CCC1)S(C)(=O)=O ZINC000445865551 530550916 /nfs/dbraw/zinc/55/09/16/530550916.db2.gz GDJZKGAKYBKGQF-UHFFFAOYSA-N 0 3 376.567 0.579 20 0 GCADHN CS[C@H]1CN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H]1N(C)C ZINC000425414450 530551615 /nfs/dbraw/zinc/55/16/15/530551615.db2.gz CXAXXISVQLJDJY-CVEARBPZSA-N 0 3 385.555 0.684 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)Nc1ccsc1Cl ZINC000446051400 530551897 /nfs/dbraw/zinc/55/18/97/530551897.db2.gz FYOAFRGVOFBTAS-UHFFFAOYSA-N 0 3 388.921 0.846 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000568154139 530553528 /nfs/dbraw/zinc/55/35/28/530553528.db2.gz VHFZMZQZMXPBMK-KGLIPLIRSA-N 0 3 382.258 0.907 20 0 GCADHN COc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573699075 530582938 /nfs/dbraw/zinc/58/29/38/530582938.db2.gz HISLEDCRVUWQMC-CYBMUJFWSA-N 0 3 385.383 0.949 20 0 GCADHN COCCO[C@H]1COCC[C@@H]1NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639060959 530555407 /nfs/dbraw/zinc/55/54/07/530555407.db2.gz KCZVURXDTKFJET-KBPBESRZSA-N 0 3 378.878 0.898 20 0 GCADHN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@H](CO)CN(C)C ZINC000673520637 530556031 /nfs/dbraw/zinc/55/60/31/530556031.db2.gz LJKRGIIQLUQPNG-DTWKUNHWSA-N 0 3 378.292 0.668 20 0 GCADHN CCN1CCN(CCCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000582189968 530583114 /nfs/dbraw/zinc/58/31/14/530583114.db2.gz GPBIMZFKYPDRHW-UHFFFAOYSA-N 0 3 388.921 0.745 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(Br)cn1 ZINC000568287818 530557647 /nfs/dbraw/zinc/55/76/47/530557647.db2.gz LCNZIDBIJCUJJN-ZMLRMANQSA-N 0 3 382.262 0.859 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000568268251 530557698 /nfs/dbraw/zinc/55/76/98/530557698.db2.gz UDYNVYZEFZBYFC-BXKDBHETSA-N 0 3 383.202 0.741 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)CCN2C1=O ZINC000568283532 530557734 /nfs/dbraw/zinc/55/77/34/530557734.db2.gz QPFBUCQRSHFXDM-SKDRFNHKSA-N 0 3 399.220 0.297 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3n[nH]c4ccc(Br)cc43)CCN2C1=O ZINC000568296233 530557941 /nfs/dbraw/zinc/55/79/41/530557941.db2.gz CLKGVUZANILHFG-ONGXEEELSA-N 0 3 378.230 0.709 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000447195404 530558445 /nfs/dbraw/zinc/55/84/45/530558445.db2.gz XKRGXELRFIKWOO-AWEZNQCLSA-N 0 3 391.559 0.975 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1F ZINC000447245178 530559289 /nfs/dbraw/zinc/55/92/89/530559289.db2.gz LNNUVUQQSJTXTI-MFKMUULPSA-N 0 3 379.479 0.944 20 0 GCADHN CC(C(=O)NCc1cccs1)S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000568412901 530559228 /nfs/dbraw/zinc/55/92/28/530559228.db2.gz MVGIDNXMBAMPHC-QMMMGPOBSA-N 0 3 397.404 0.917 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000447250205 530560024 /nfs/dbraw/zinc/56/00/24/530560024.db2.gz VSOHUCHQYALADU-QWRGUYRKSA-N 0 3 379.479 0.945 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000447250209 530560146 /nfs/dbraw/zinc/56/01/46/530560146.db2.gz VSOHUCHQYALADU-WDEREUQCSA-N 0 3 379.479 0.945 20 0 GCADHN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000568749344 530562469 /nfs/dbraw/zinc/56/24/69/530562469.db2.gz WKXQXLLOXKTOAH-DZGCQCFKSA-N 0 3 387.527 0.191 20 0 GCADHN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000568749348 530562690 /nfs/dbraw/zinc/56/26/90/530562690.db2.gz WKXQXLLOXKTOAH-ZFWWWQNUSA-N 0 3 387.527 0.191 20 0 GCADHN CCN(C(=O)[C@H](C)NCC(CC)(CC)C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000447891412 530564415 /nfs/dbraw/zinc/56/44/15/530564415.db2.gz QFJKXBQLQLWWGD-UONOGXRCSA-N 0 3 376.519 0.980 20 0 GCADHN COCCN1CCC(NC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000195015065 530565759 /nfs/dbraw/zinc/56/57/59/530565759.db2.gz MKYVDDWHPWLGAY-UHFFFAOYSA-N 0 3 383.250 0.727 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC000569075830 530566675 /nfs/dbraw/zinc/56/66/75/530566675.db2.gz KBESHKNOCBZYRN-AGUYFDCRSA-N 0 3 387.527 0.807 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449287308 530566892 /nfs/dbraw/zinc/56/68/92/530566892.db2.gz WDABGLUDXVBZSU-ZDUSSCGKSA-N 0 3 377.532 0.616 20 0 GCADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1Br ZINC000569120937 530566982 /nfs/dbraw/zinc/56/69/82/530566982.db2.gz WIGCKMVDJWQREH-JSGCOSHPSA-N 0 3 381.274 0.940 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000569221613 530568263 /nfs/dbraw/zinc/56/82/63/530568263.db2.gz GBBKBYHBTOBYJE-MNOVXSKESA-N 0 3 379.479 0.993 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000569221614 530568597 /nfs/dbraw/zinc/56/85/97/530568597.db2.gz GBBKBYHBTOBYJE-QWRGUYRKSA-N 0 3 379.479 0.993 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3OC(F)(F)F)CCN2C1=O ZINC000569238366 530568908 /nfs/dbraw/zinc/56/89/08/530568908.db2.gz PMJONDCJHIXMGF-VHSXEESVSA-N 0 3 379.360 0.518 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC2(CCN(C)CC2)C1 ZINC000366828092 530570303 /nfs/dbraw/zinc/57/03/03/530570303.db2.gz XAAAEWNAJDBTIX-UHFFFAOYSA-N 0 3 381.564 0.406 20 0 GCADHN CCOC(=O)CCS(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000366890143 530572137 /nfs/dbraw/zinc/57/21/37/530572137.db2.gz XWBWPJVWPYNROP-UHFFFAOYSA-N 0 3 375.535 0.760 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[NH2+]CC2)s1 ZINC000366945639 530572997 /nfs/dbraw/zinc/57/29/97/530572997.db2.gz MLYXFRNUYYOBIH-LBPRGKRZSA-N 0 3 395.572 0.650 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]CC2)s1 ZINC000366945637 530573220 /nfs/dbraw/zinc/57/32/20/530573220.db2.gz MLYXFRNUYYOBIH-GFCCVEGCSA-N 0 3 395.572 0.650 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CCNC(=O)N(C)C ZINC000451530460 530583744 /nfs/dbraw/zinc/58/37/44/530583744.db2.gz PIVAYCSLNAGVJX-VIFPVBQESA-N 0 3 377.385 0.403 20 0 GCADHN CC1CC[NH+](C[C@@H](O)CNC(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000572984051 530573699 /nfs/dbraw/zinc/57/36/99/530573699.db2.gz MFNZQZISMGWFSL-ZDUSSCGKSA-N 0 3 375.516 0.235 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000451212472 530574474 /nfs/dbraw/zinc/57/44/74/530574474.db2.gz PNKBINKUSWNGTO-WDEREUQCSA-N 0 3 390.380 0.037 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H](C)CS(=O)(=O)CC ZINC000451189556 530574485 /nfs/dbraw/zinc/57/44/85/530574485.db2.gz WLIBJGJJFSRAAE-NXEZZACHSA-N 0 3 397.437 0.955 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000451192097 530574948 /nfs/dbraw/zinc/57/49/48/530574948.db2.gz HUOHPJSJYSLXNH-DTWKUNHWSA-N 0 3 383.410 0.565 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CC)[C@H](C)CS(C)(=O)=O ZINC000451190625 530574957 /nfs/dbraw/zinc/57/49/57/530574957.db2.gz YBFANNIXMWSRCU-NXEZZACHSA-N 0 3 397.437 0.955 20 0 GCADHN C[C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000367053663 530576176 /nfs/dbraw/zinc/57/61/76/530576176.db2.gz RXFWUKCCUGOZLB-PMPSAXMXSA-N 0 3 389.587 0.391 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H](CC(=O)OC)C1 ZINC000451282665 530576560 /nfs/dbraw/zinc/57/65/60/530576560.db2.gz CWVWGSUYPLQESO-VHSXEESVSA-N 0 3 391.364 0.464 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1C(=O)OC ZINC000451268632 530576609 /nfs/dbraw/zinc/57/66/09/530576609.db2.gz MTYBETNNQNTHLA-DTWKUNHWSA-N 0 3 377.337 0.074 20 0 GCADHN NS(=O)(=O)c1cccc(S(=O)(=O)NCCCNCc2cccnc2)c1 ZINC000326883544 530577927 /nfs/dbraw/zinc/57/79/27/530577927.db2.gz CTSBDUHISQFEMQ-UHFFFAOYSA-N 0 3 384.483 0.187 20 0 GCADHN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000573331384 530578893 /nfs/dbraw/zinc/57/88/93/530578893.db2.gz YODSZWSQOPLCPD-NSHDSACASA-N 0 3 382.360 0.759 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC000451375780 530579010 /nfs/dbraw/zinc/57/90/10/530579010.db2.gz LAQUCWOLFGJAAF-SFYZADRCSA-N 0 3 378.394 0.103 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000451393210 530579601 /nfs/dbraw/zinc/57/96/01/530579601.db2.gz ONTICLHBLVYCTF-ZJUUUORDSA-N 0 3 395.421 0.709 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](NC(=O)NC)C1 ZINC000451397836 530579703 /nfs/dbraw/zinc/57/97/03/530579703.db2.gz CSHFITAPFKRJCJ-DTWKUNHWSA-N 0 3 375.369 0.204 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](NC(=O)NC)C1 ZINC000451397840 530579720 /nfs/dbraw/zinc/57/97/20/530579720.db2.gz CSHFITAPFKRJCJ-RKDXNWHRSA-N 0 3 375.369 0.204 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C[C@H](C)O)CC1 ZINC000451419457 530580393 /nfs/dbraw/zinc/58/03/93/530580393.db2.gz NVHIZYAWTJQMLO-QWRGUYRKSA-N 0 3 376.397 0.199 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000451415068 530580429 /nfs/dbraw/zinc/58/04/29/530580429.db2.gz UMYKYGLFDMDSGL-GMTAPVOTSA-N 0 3 377.381 0.672 20 0 GCADHN O=S(=O)(CCNC[C@H](O)Cn1ccnn1)c1cccc(Br)c1 ZINC000573491415 530580894 /nfs/dbraw/zinc/58/08/94/530580894.db2.gz XNVFYAXATUKGIP-LBPRGKRZSA-N 0 3 389.275 0.465 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CCO)C1CCOCC1 ZINC000451433547 530580959 /nfs/dbraw/zinc/58/09/59/530580959.db2.gz NIJYMRNDNAMPMD-NSHDSACASA-N 0 3 377.381 0.674 20 0 GCADHN Cn1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2CCCN(C)C2)c1=O ZINC000526088082 530584132 /nfs/dbraw/zinc/58/41/32/530584132.db2.gz VMSDJEZMVSLLDT-JTQLQIEISA-N 0 3 385.262 0.544 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000451450691 530581114 /nfs/dbraw/zinc/58/11/14/530581114.db2.gz ZDRIPHQVSLGTAM-GUDRVLHUSA-N 0 3 386.392 0.786 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000451470631 530581299 /nfs/dbraw/zinc/58/12/99/530581299.db2.gz WPNIOPFSCLDOKL-UWVGGRQHSA-N 0 3 395.421 0.709 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(CO)(OC)CC1 ZINC000451454933 530581601 /nfs/dbraw/zinc/58/16/01/530581601.db2.gz JCJZNBPKCVXBRV-SNVBAGLBSA-N 0 3 377.381 0.674 20 0 GCADHN CC(C)N(CCCNC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)S(C)(=O)=O ZINC000451472351 530581646 /nfs/dbraw/zinc/58/16/46/530581646.db2.gz RZWMBMYRDWOKJP-BMFZPTHFSA-N 0 3 375.535 0.566 20 0 GCADHN CN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)[C@@H](CN)C1 ZINC000573568065 530581694 /nfs/dbraw/zinc/58/16/94/530581694.db2.gz PZEOFVZQTAYLSE-QMMMGPOBSA-N 0 3 384.246 0.991 20 0 GCADHN O=S(=O)([N-]CCNC[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000629579135 530581745 /nfs/dbraw/zinc/58/17/45/530581745.db2.gz ZCWOOQXGGYHTBB-ZDUSSCGKSA-N 0 3 379.885 0.804 20 0 GCADHN NC(=O)[C@@H]1CCCN1CCCNCc1cnn2cc(Br)cnc12 ZINC000639349174 530588535 /nfs/dbraw/zinc/58/85/35/530588535.db2.gz MMYSZKRRTILMBN-ZDUSSCGKSA-N 0 3 381.278 0.921 20 0 GCADHN CCN(CC)CCN(CCOC)S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000519149284 530589074 /nfs/dbraw/zinc/58/90/74/530589074.db2.gz HLSDZPRQHQAWLK-UHFFFAOYSA-N 0 3 379.523 0.406 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574466321 530591020 /nfs/dbraw/zinc/59/10/20/530591020.db2.gz DYJXSRPOBXAQIX-NEPJUHHUSA-N 0 3 381.230 0.158 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@H]1C[C@@H](O)C1 ZINC000629607927 530592152 /nfs/dbraw/zinc/59/21/52/530592152.db2.gz SOSFSAQCKJPGLX-BETUJISGSA-N 0 3 376.500 0.071 20 0 GCADHN COC[C@@]1(CNC(=O)NCC[N-]S(=O)(=O)c2cccs2)CCC[NH2+]1 ZINC000417908703 530593367 /nfs/dbraw/zinc/59/33/67/530593367.db2.gz CZNPQUKIUORVST-AWEZNQCLSA-N 0 3 376.504 0.094 20 0 GCADHN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000519431581 530594709 /nfs/dbraw/zinc/59/47/09/530594709.db2.gz FRKCYORGTOXFHV-ZDUSSCGKSA-N 0 3 387.527 0.747 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1F ZINC000461910307 530598272 /nfs/dbraw/zinc/59/82/72/530598272.db2.gz YTFRRFXHDXQDPD-AWEZNQCLSA-N 0 3 379.479 0.945 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)CN2CCCC2)cc1 ZINC000452091221 530599246 /nfs/dbraw/zinc/59/92/46/530599246.db2.gz VLUWQEZJLPVZRC-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CSC1(CNC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CCN(C)CC1 ZINC000519737972 530600669 /nfs/dbraw/zinc/60/06/69/530600669.db2.gz VRNQTSSRHKTLEX-CQSZACIVSA-N 0 3 377.576 0.990 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H]1CCCN1CCCO ZINC000452347117 530602365 /nfs/dbraw/zinc/60/23/65/530602365.db2.gz IFYYBOQGZXEHDS-CVEARBPZSA-N 0 3 375.535 0.544 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCN1CCCO ZINC000452357730 530602980 /nfs/dbraw/zinc/60/29/80/530602980.db2.gz FILYUTPVKWWTTE-CHWSQXEVSA-N 0 3 375.516 0.378 20 0 GCADHN O=C(COc1ccccc1Br)Nc1nc(N2CCNCC2)n[nH]1 ZINC000577060541 530615476 /nfs/dbraw/zinc/61/54/76/530615476.db2.gz QIUBAYLPPXGAHD-UHFFFAOYSA-N 0 3 381.234 0.994 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000452351600 530603515 /nfs/dbraw/zinc/60/35/15/530603515.db2.gz QHFMCVUJZCGIMF-UYSNPLJNSA-N 0 3 375.535 0.448 20 0 GCADHN CCCCN(C(=O)C(C)S(=O)(=O)C1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000532194019 530603752 /nfs/dbraw/zinc/60/37/52/530603752.db2.gz LFNBKZUVPHQVCN-ZIAGYGMSSA-N 0 3 395.543 0.785 20 0 GCADHN C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000669541371 530604329 /nfs/dbraw/zinc/60/43/29/530604329.db2.gz YRMNOYDPSSNELR-ZJUUUORDSA-N 0 3 396.922 0.437 20 0 GCADHN CC[C@H](O)CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000576040803 530604451 /nfs/dbraw/zinc/60/44/51/530604451.db2.gz UIOVEOQPUFAUIS-ZDUSSCGKSA-N 0 3 378.516 0.461 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CCN2C1=O ZINC000580580672 530615596 /nfs/dbraw/zinc/61/55/96/530615596.db2.gz FPGMLZFJFRNWKU-MWLCHTKSSA-N 0 3 387.845 0.044 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN1CCCO ZINC000452787405 530606322 /nfs/dbraw/zinc/60/63/22/530606322.db2.gz ZTFRCUHIDDUPTL-CVEARBPZSA-N 0 3 375.535 0.544 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452800884 530606819 /nfs/dbraw/zinc/60/68/19/530606819.db2.gz XIMPWKGNBIYDNI-CVEARBPZSA-N 0 3 375.535 0.544 20 0 GCADHN O=C(COc1ccc(Br)cc1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000576344591 530607971 /nfs/dbraw/zinc/60/79/71/530607971.db2.gz ZMNOEISBJJHATC-UHFFFAOYSA-N 0 3 381.234 0.994 20 0 GCADHN Cn1cc(Br)cc(NC(=O)C(=O)NC[C@H]2CCCN(C)C2)c1=O ZINC000526088083 530584262 /nfs/dbraw/zinc/58/42/62/530584262.db2.gz VMSDJEZMVSLLDT-SNVBAGLBSA-N 0 3 385.262 0.544 20 0 GCADHN COCCN(C)C[C@@H](O)Cn1nnc(Cc2cccc(Br)c2)n1 ZINC000574053340 530586227 /nfs/dbraw/zinc/58/62/27/530586227.db2.gz IXAPIKXSMCPAIP-CQSZACIVSA-N 0 3 384.278 0.966 20 0 GCADHN N[C@H]1C[C@@H]2CN(CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053269 530586506 /nfs/dbraw/zinc/58/65/06/530586506.db2.gz ARABTGVPTMKPTK-OCCSQVGLSA-N 0 3 385.295 0.896 20 0 GCADHN N[C@@H]1C[C@H]2CN(CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053267 530586594 /nfs/dbraw/zinc/58/65/94/530586594.db2.gz ARABTGVPTMKPTK-GXTWGEPZSA-N 0 3 385.295 0.896 20 0 GCADHN C[C@@H](NC(=O)c1cncc(I)c1)C(=O)NCCN(C)C ZINC000574062241 530586853 /nfs/dbraw/zinc/58/68/53/530586853.db2.gz OOWGLDVVQVZWGA-SECBINFHSA-N 0 3 390.225 0.482 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)CCN1C ZINC000574072970 530587077 /nfs/dbraw/zinc/58/70/77/530587077.db2.gz DZSMQWGMSGTBGO-QLFBSQMISA-N 0 3 375.539 0.429 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1C(F)(F)F ZINC000574173678 530588381 /nfs/dbraw/zinc/58/83/81/530588381.db2.gz PKWKQYSRMKNTKQ-MFKMUULPSA-N 0 3 377.388 0.946 20 0 GCADHN N[C@@H]1C[C@@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769720 530624589 /nfs/dbraw/zinc/62/45/89/530624589.db2.gz UMSFBTGMQLEZGJ-RBSFLKMASA-N 0 3 393.285 0.798 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C[C@]2(CCOC2)O1 ZINC000330061500 530624955 /nfs/dbraw/zinc/62/49/55/530624955.db2.gz OJLYEEZPWMAIRL-VBQJREDUSA-N 0 3 375.487 0.765 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C[C@]2(CCOC2)O1 ZINC000330061498 530624977 /nfs/dbraw/zinc/62/49/77/530624977.db2.gz OJLYEEZPWMAIRL-CPUCHLNUSA-N 0 3 375.487 0.765 20 0 GCADHN CN(C(=O)NC[C@@H]1CNCCN1C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000577832724 530625212 /nfs/dbraw/zinc/62/52/12/530625212.db2.gz DHPZFIWIMCFIPZ-GXTWGEPZSA-N 0 3 386.905 0.713 20 0 GCADHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330089319 530626056 /nfs/dbraw/zinc/62/60/56/530626056.db2.gz OMJSVIAEDNXXMD-JKSUJKDBSA-N 0 3 393.575 0.546 20 0 GCADHN CC(C(=O)N1CSC[C@@H]1C(=O)N1CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330158423 530627519 /nfs/dbraw/zinc/62/75/19/530627519.db2.gz QAZMQSMDEVJGQO-TZMCWYRMSA-N 0 3 390.527 0.493 20 0 GCADHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC000457919675 530627502 /nfs/dbraw/zinc/62/75/02/530627502.db2.gz DFJAYSFMMMXQHY-JKIFEVAISA-N 0 3 375.535 0.592 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000461538610 530643670 /nfs/dbraw/zinc/64/36/70/530643670.db2.gz FOUBRIJDLLTEMK-OAHLLOKOSA-N 0 3 377.555 0.629 20 0 GCADHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC000458382259 530631055 /nfs/dbraw/zinc/63/10/55/530631055.db2.gz QXWSQMMDBJOOIO-PBHICJAKSA-N 0 3 375.535 0.736 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000458954622 530635138 /nfs/dbraw/zinc/63/51/38/530635138.db2.gz KPHZQOINNBUBGN-KBPBESRZSA-N 0 3 376.523 0.209 20 0 GCADHN CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000331701924 530636213 /nfs/dbraw/zinc/63/62/13/530636213.db2.gz XPFAYNQEWDKGNK-ZDUSSCGKSA-N 0 3 386.543 0.966 20 0 GCADHN Cn1ncc(Br)c1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000331869435 530637804 /nfs/dbraw/zinc/63/78/04/530637804.db2.gz SHBARTXDZUJHFH-UHFFFAOYSA-N 0 3 384.278 0.563 20 0 GCADHN C[C@@H](NCCCN(C)S(C)(=O)=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627486 530641398 /nfs/dbraw/zinc/64/13/98/530641398.db2.gz MWDYLYZVTHCQCT-CYBMUJFWSA-N 0 3 377.532 0.869 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(OCC(F)F)cc3)CCN2C1=O ZINC000583642255 530616915 /nfs/dbraw/zinc/61/69/15/530616915.db2.gz ULVYPOKULTVRRB-ZWNOBZJWSA-N 0 3 375.397 0.263 20 0 GCADHN CCN(CCN)C(=O)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000629805567 530616988 /nfs/dbraw/zinc/61/69/88/530616988.db2.gz NYGXTBMBBCGMPY-UHFFFAOYSA-N 0 3 383.290 0.905 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)F)cc2)C1 ZINC000580658392 530617487 /nfs/dbraw/zinc/61/74/87/530617487.db2.gz FUHLTSHJWBMBAM-LLVKDONJSA-N 0 3 397.469 0.460 20 0 GCADHN O=C(NCCc1ccc(I)s1)C(=O)NC1CNC1 ZINC000577370329 530619888 /nfs/dbraw/zinc/61/98/88/530619888.db2.gz JSROLRAJOBCMJO-UHFFFAOYSA-N 0 3 379.223 0.099 20 0 GCADHN O[C@H](CNC[C@@H](O)CN1CCOCC1)COc1cccc(Br)c1 ZINC000577492204 530621269 /nfs/dbraw/zinc/62/12/69/530621269.db2.gz DKIUTODMGVMGPI-HUUCEWRRSA-N 0 3 389.290 0.472 20 0 GCADHN CCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCOC(C)(C)C1 ZINC000639645600 530680402 /nfs/dbraw/zinc/68/04/02/530680402.db2.gz JXMMBBXBDDVTTA-HNNXBMFYSA-N 0 3 375.535 0.806 20 0 GCADHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000468421040 530680534 /nfs/dbraw/zinc/68/05/34/530680534.db2.gz VFCNEUPBUWMAOH-QLFBSQMISA-N 0 3 383.580 0.554 20 0 GCADHN CC(C)O[C@@H]1C[C@@H](NCC(=O)NC2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000639662544 530681241 /nfs/dbraw/zinc/68/12/41/530681241.db2.gz LQQTVGDYBQPYRP-HUUCEWRRSA-N 0 3 375.535 0.708 20 0 GCADHN CN(C)[C@@H]1CCCN(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)C1 ZINC000461547072 530644434 /nfs/dbraw/zinc/64/44/34/530644434.db2.gz RZUIBKXXQDBXKO-HUUCEWRRSA-N 0 3 375.539 0.383 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](N)CC(F)F)CC2)cc1 ZINC000498195817 530646910 /nfs/dbraw/zinc/64/69/10/530646910.db2.gz NDPVPFPFOFEQFR-CYBMUJFWSA-N 0 3 377.413 0.511 20 0 GCADHN CC1CCN(CCCNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000332591615 530649156 /nfs/dbraw/zinc/64/91/56/530649156.db2.gz GGRSNQVOOZNHMO-UHFFFAOYSA-N 0 3 395.591 0.699 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000332739259 530653182 /nfs/dbraw/zinc/65/31/82/530653182.db2.gz YAXFXZCUCHIUJI-GRYCIOLGSA-N 0 3 388.408 0.605 20 0 GCADHN CCN(CC)[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CC(C)C ZINC000468790935 530682814 /nfs/dbraw/zinc/68/28/14/530682814.db2.gz CLQJIBRJMDABAX-OAHLLOKOSA-N 0 3 398.595 0.155 20 0 GCADHN O=C1NC(=O)[C@]2(CCCN(C[C@@H](O)COc3ccc(Br)cc3)C2)N1 ZINC000333197637 530656373 /nfs/dbraw/zinc/65/63/73/530656373.db2.gz XVPYHXMSUKFGAX-MLGOLLRUSA-N 0 3 398.257 0.863 20 0 GCADHN CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3CNCCO3)s2)CC1 ZINC000333253246 530656492 /nfs/dbraw/zinc/65/64/92/530656492.db2.gz HFCPAHQFIALVMD-CYBMUJFWSA-N 0 3 387.527 0.887 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC(F)(F)[C@H](CO)C2)c1 ZINC000463217528 530656573 /nfs/dbraw/zinc/65/65/73/530656573.db2.gz DNDGCKMGXJGCHU-NSHDSACASA-N 0 3 377.413 0.612 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000333270418 530657395 /nfs/dbraw/zinc/65/73/95/530657395.db2.gz CJDQMUUJWFYRLF-KBPBESRZSA-N 0 3 379.473 0.990 20 0 GCADHN C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)CCN(C2CC2)C1 ZINC000333771316 530661937 /nfs/dbraw/zinc/66/19/37/530661937.db2.gz RSCXXQZOUHXDOR-AWEZNQCLSA-N 0 3 390.575 0.491 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000468782625 530683153 /nfs/dbraw/zinc/68/31/53/530683153.db2.gz BAWPYFWCOBQURO-DZGCQCFKSA-N 0 3 377.551 0.956 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000532323516 530666486 /nfs/dbraw/zinc/66/64/86/530666486.db2.gz IBZSDHDUYPLZGK-UHFFFAOYSA-N 0 3 375.535 0.665 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000532343121 530667692 /nfs/dbraw/zinc/66/76/92/530667692.db2.gz YLSXQGLJEAERLQ-ZDUSSCGKSA-N 0 3 386.543 0.636 20 0 GCADHN CN1CCN(CCCNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000104211086 530668241 /nfs/dbraw/zinc/66/82/41/530668241.db2.gz BBDATLJVYYNBKN-UHFFFAOYSA-N 0 3 394.950 0.434 20 0 GCADHN CCC[C@]1(COC)CCCN1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639616421 530679355 /nfs/dbraw/zinc/67/93/55/530679355.db2.gz WIMQYCHTSIUIOF-QGZVFWFLSA-N 0 3 375.535 0.808 20 0 GCADHN C[C@H](CNC(=O)NCc1ccc(S(C)(=O)=O)s1)CN1CCN(C)CC1 ZINC000469237551 530688093 /nfs/dbraw/zinc/68/80/93/530688093.db2.gz HFLJLGQNHFPLEK-CYBMUJFWSA-N 0 3 388.559 0.834 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000669859875 530689265 /nfs/dbraw/zinc/68/92/65/530689265.db2.gz VPXPOVRSQBNXGO-UHFFFAOYSA-N 0 3 376.523 0.255 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCCCC[NH+](C)C)s1 ZINC000469479495 530689490 /nfs/dbraw/zinc/68/94/90/530689490.db2.gz HZJQMFGPFFOTRE-UHFFFAOYSA-N 0 3 390.531 0.121 20 0 GCADHN CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418077246 530690433 /nfs/dbraw/zinc/69/04/33/530690433.db2.gz LDUHDLYTBAVZIV-GFCCVEGCSA-N 0 3 382.477 0.876 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000470088698 530692643 /nfs/dbraw/zinc/69/26/43/530692643.db2.gz UBLCBONRKRDPDE-HZPDHXFCSA-N 0 3 375.535 0.496 20 0 GCADHN Cc1ccc(Cn2cc(CNS(=O)(=O)N3CCNCC3)nn2)c(Cl)c1 ZINC000641068233 530700437 /nfs/dbraw/zinc/70/04/37/530700437.db2.gz KWWGVBOLJMGWQD-UHFFFAOYSA-N 0 3 384.893 0.528 20 0 GCADHN CC(C)CS(=O)(=O)N1CCC(NC(=O)NCCOCCN(C)C)CC1 ZINC000471649194 530700567 /nfs/dbraw/zinc/70/05/67/530700567.db2.gz OTCGPNJVHQRCOS-UHFFFAOYSA-N 0 3 378.539 0.314 20 0 GCADHN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000472417497 530704989 /nfs/dbraw/zinc/70/49/89/530704989.db2.gz WITLDXZJPUJMBR-CVEARBPZSA-N 0 3 375.535 0.400 20 0 GCADHN O=C(CN1CCNCC1)NCc1cn(Cc2cncc(Br)c2)nn1 ZINC000641161066 530710375 /nfs/dbraw/zinc/71/03/75/530710375.db2.gz BBNQKLYBNYFTJE-UHFFFAOYSA-N 0 3 394.277 0.005 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000473539924 530712245 /nfs/dbraw/zinc/71/22/45/530712245.db2.gz LQWGYBYEIDHFLB-IYBDPMFKSA-N 0 3 375.535 0.758 20 0 GCADHN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368214760 530721322 /nfs/dbraw/zinc/72/13/22/530721322.db2.gz NKBUJEPDOPGVFG-UWVGGRQHSA-N 0 3 384.205 0.861 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000367831304 530717196 /nfs/dbraw/zinc/71/71/96/530717196.db2.gz HHCIIGKLXRIHNZ-ZDUSSCGKSA-N 0 3 377.463 0.618 20 0 GCADHN CN1CC[C@]2(CCN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C)C2)C1 ZINC000349607056 530717450 /nfs/dbraw/zinc/71/74/50/530717450.db2.gz YLIANPYBFJNGTG-INIZCTEOSA-N 0 3 395.591 0.842 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000477560107 530744700 /nfs/dbraw/zinc/74/47/00/530744700.db2.gz PIWNYRCGUOANCE-HOCLYGCPSA-N 0 3 389.543 0.744 20 0 GCADHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641393418 530738499 /nfs/dbraw/zinc/73/84/99/530738499.db2.gz NXOPIHGGSRRIED-GFCCVEGCSA-N 0 3 392.279 0.083 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3sccc3Br)CCN2C1=O ZINC000579130934 530738631 /nfs/dbraw/zinc/73/86/31/530738631.db2.gz WBBGOFTVFXCVHH-IONNQARKSA-N 0 3 380.289 0.443 20 0 GCADHN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000579099366 530738701 /nfs/dbraw/zinc/73/87/01/530738701.db2.gz CVMDQUOCZDQIJP-LBPRGKRZSA-N 0 3 395.301 0.742 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)Cc2ccc(S(N)(=O)=O)s2)CCCO1 ZINC000579308686 530741828 /nfs/dbraw/zinc/74/18/28/530741828.db2.gz OILYFYFAVZRLRJ-GFCCVEGCSA-N 0 3 375.516 0.555 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000477375567 530742709 /nfs/dbraw/zinc/74/27/09/530742709.db2.gz PDZJZVBPBRNKQC-OWCLPIDISA-N 0 3 375.535 0.111 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000477558462 530744927 /nfs/dbraw/zinc/74/49/27/530744927.db2.gz VMLKWPBSTUQGJW-NSHDSACASA-N 0 3 380.536 0.115 20 0 GCADHN CN1CCC(O)(CNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000474980154 530722081 /nfs/dbraw/zinc/72/20/81/530722081.db2.gz ABESFSATUVCTMI-UHFFFAOYSA-N 0 3 375.878 0.898 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CC[C@@H]2CCCCO2)CC1 ZINC000641318928 530726491 /nfs/dbraw/zinc/72/64/91/530726491.db2.gz OEWHPUBCFFDMBD-INIZCTEOSA-N 0 3 375.535 0.761 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC000578284689 530729694 /nfs/dbraw/zinc/72/96/94/530729694.db2.gz IBDYXPDPMOZQMY-VXGBXAGGSA-N 0 3 392.547 0.258 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000369180449 530729797 /nfs/dbraw/zinc/72/97/97/530729797.db2.gz XSMBZOAKILBKAU-MRXNPFEDSA-N 0 3 389.543 0.367 20 0 GCADHN NC1(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CCC1 ZINC000578352326 530730366 /nfs/dbraw/zinc/73/03/66/530730366.db2.gz SLIZUKIJBWWTAD-UHFFFAOYSA-N 0 3 381.483 0.406 20 0 GCADHN NC(=O)[C@@H]1CC[C@@H](CNC[C@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000578316331 530730434 /nfs/dbraw/zinc/73/04/34/530730434.db2.gz WVKWSBZWPDPZDO-OBJOEFQTSA-N 0 3 391.237 0.950 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(Br)s1 ZINC000578490478 530732320 /nfs/dbraw/zinc/73/23/20/530732320.db2.gz QILKXRJICTWFHV-VHSXEESVSA-N 0 3 389.319 0.789 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(Br)s1 ZINC000578490477 530732444 /nfs/dbraw/zinc/73/24/44/530732444.db2.gz QILKXRJICTWFHV-UWVGGRQHSA-N 0 3 389.319 0.789 20 0 GCADHN COc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(Br)c1OC ZINC000578523836 530732985 /nfs/dbraw/zinc/73/29/85/530732985.db2.gz RXOZGZSHBFMQPS-CMPLNLGQSA-N 0 3 398.257 0.850 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000476453819 530733202 /nfs/dbraw/zinc/73/32/02/530733202.db2.gz AAJDUDFFRZZYHG-KGLIPLIRSA-N 0 3 389.543 0.624 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000369510127 530733633 /nfs/dbraw/zinc/73/36/33/530733633.db2.gz CLUNFWYAQRZZKD-UHFFFAOYSA-N 0 3 375.535 0.809 20 0 GCADHN CN(CC(C)(C)C[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418163638 530749768 /nfs/dbraw/zinc/74/97/68/530749768.db2.gz GNIZUAKQODLGHV-UHFFFAOYSA-N 0 3 378.445 0.869 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)NC1CC[NH2+]CC1 ZINC000418152355 530749944 /nfs/dbraw/zinc/74/99/44/530749944.db2.gz GXOFIJBJMGSGIX-UHFFFAOYSA-N 0 3 378.857 0.809 20 0 GCADHN COCCNCCNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000418162928 530750117 /nfs/dbraw/zinc/75/01/17/530750117.db2.gz GVHXXDBUUANLHZ-CYBMUJFWSA-N 0 3 390.531 0.294 20 0 GCADHN [NH3+]C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000418162002 530750210 /nfs/dbraw/zinc/75/02/10/530750210.db2.gz FDYIFLYQLNYSED-NSHDSACASA-N 0 3 394.856 0.127 20 0 GCADHN [NH3+]CC[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(F)F ZINC000418168699 530750956 /nfs/dbraw/zinc/75/09/56/530750956.db2.gz LSUXPBGYIFVLFN-JTQLQIEISA-N 0 3 386.371 0.525 20 0 GCADHN Cc1cc(S(=O)(=O)NCCNC(=O)[C@H]2CN3CCN2CCC3)c(C)s1 ZINC000371309011 530751789 /nfs/dbraw/zinc/75/17/89/530751789.db2.gz UPZPRJPHHKRUMW-CQSZACIVSA-N 0 3 386.543 0.149 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N[C@H]1CC[NH2+]C1 ZINC000418170321 530752155 /nfs/dbraw/zinc/75/21/55/530752155.db2.gz RWJUTEXYVLGCNE-VIFPVBQESA-N 0 3 381.285 0.933 20 0 GCADHN O=C(CNS(=O)(=O)CC[C@H]1CCCCO1)NCCN1CCCCCC1 ZINC000641510370 530752250 /nfs/dbraw/zinc/75/22/50/530752250.db2.gz IBQWMRZLAFCQSU-MRXNPFEDSA-N 0 3 375.535 0.857 20 0 GCADHN C[C@]1(C[NH3+])CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418180988 530752410 /nfs/dbraw/zinc/75/24/10/530752410.db2.gz YVKDVQSTQAKXED-OAHLLOKOSA-N 0 3 376.429 0.623 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000580962816 530752621 /nfs/dbraw/zinc/75/26/21/530752621.db2.gz SRNFFLHLVFKQTM-MRXNPFEDSA-N 0 3 384.274 0.574 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)NC[C@]1(O)CN2CCC1CC2 ZINC000580962812 530752641 /nfs/dbraw/zinc/75/26/41/530752641.db2.gz SRNFFLHLVFKQTM-INIZCTEOSA-N 0 3 384.274 0.574 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(Br)c1 ZINC000580963204 530752657 /nfs/dbraw/zinc/75/26/57/530752657.db2.gz MPACUXALOOCUNH-JQWIXIFHSA-N 0 3 388.287 0.690 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC[C@@H](O)COCc1cccs1 ZINC000581126976 530753965 /nfs/dbraw/zinc/75/39/65/530753965.db2.gz IBHMMCNOBQDCEO-LSDHHAIUSA-N 0 3 391.559 0.876 20 0 GCADHN C[C@@H]1CN(C(=O)NCc2nn(C)cc2I)[C@H](C)CN1 ZINC000418243570 530755419 /nfs/dbraw/zinc/75/54/19/530755419.db2.gz AJQJOYNMPXQRBR-RKDXNWHRSA-N 0 3 377.230 0.917 20 0 GCADHN Cc1ccc(Br)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000581261003 530756102 /nfs/dbraw/zinc/75/61/02/530756102.db2.gz HETOAPGPIFDOOK-CMPLNLGQSA-N 0 3 395.257 0.466 20 0 GCADHN CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000479287323 530756780 /nfs/dbraw/zinc/75/67/80/530756780.db2.gz SENQLAKBSCIITQ-LLVKDONJSA-N 0 3 388.262 0.825 20 0 GCADHN COC[C@@H](C)CS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000641601364 530760624 /nfs/dbraw/zinc/76/06/24/530760624.db2.gz XFNFEOKVRBUZPP-OAGGEKHMSA-N 0 3 377.551 0.766 20 0 GCADHN COC[C@H](C)CS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000641601366 530760743 /nfs/dbraw/zinc/76/07/43/530760743.db2.gz XFNFEOKVRBUZPP-XHSDSOJGSA-N 0 3 377.551 0.766 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)N(C)CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000641601314 530760760 /nfs/dbraw/zinc/76/07/60/530760760.db2.gz VPHXQIDZIVJOKM-HOTGVXAUSA-N 0 3 376.567 0.986 20 0 GCADHN CC[C@H](CS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1)OC ZINC000641599849 530761208 /nfs/dbraw/zinc/76/12/08/530761208.db2.gz FHUKPALSLLRXGZ-OAGGEKHMSA-N 0 3 377.551 0.908 20 0 GCADHN CC[C@@H](CS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1)OC ZINC000641599846 530761284 /nfs/dbraw/zinc/76/12/84/530761284.db2.gz FHUKPALSLLRXGZ-JYJNAYRXSA-N 0 3 377.551 0.908 20 0 GCADHN O=C1N[C@@H]2CCCC[C@H]2CC1S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000581677962 530761959 /nfs/dbraw/zinc/76/19/59/530761959.db2.gz VJKNWDWMHVBHGR-AEJSXWLSSA-N 0 3 381.380 0.598 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000372076384 530762276 /nfs/dbraw/zinc/76/22/76/530762276.db2.gz HBRYYFGBJHMQRG-HIFRSBDPSA-N 0 3 379.548 0.204 20 0 GCADHN COC[C@@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(C)C ZINC000581789264 530763101 /nfs/dbraw/zinc/76/31/01/530763101.db2.gz HTEVNJNCIZIUHT-CQSZACIVSA-N 0 3 392.543 0.971 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCCn2cc(Br)ccc2=O)C[C@@H](C)O1 ZINC000581880233 530763710 /nfs/dbraw/zinc/76/37/10/530763710.db2.gz YBOSZUJCMAFVNC-UMVBOHGHSA-N 0 3 388.306 0.671 20 0 GCADHN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579615306 530745816 /nfs/dbraw/zinc/74/58/16/530745816.db2.gz DXGBTIYZFGZKKD-NEPJUHHUSA-N 0 3 377.388 0.946 20 0 GCADHN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579615307 530745826 /nfs/dbraw/zinc/74/58/26/530745826.db2.gz DXGBTIYZFGZKKD-NWDGAFQWSA-N 0 3 377.388 0.946 20 0 GCADHN CCS(=O)(=O)NCC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000371162881 530748216 /nfs/dbraw/zinc/74/82/16/530748216.db2.gz CIHLWZTYTDZTDL-HUUCEWRRSA-N 0 3 375.535 0.664 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[NH2+]1 ZINC000418156589 530749025 /nfs/dbraw/zinc/74/90/25/530749025.db2.gz AUFZVPAQWLUNKY-ZYHUDNBSSA-N 0 3 376.429 0.683 20 0 GCADHN C[C@H]1C[C@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[NH2+]1 ZINC000418156569 530749164 /nfs/dbraw/zinc/74/91/64/530749164.db2.gz AUFZVPAQWLUNKY-CMPLNLGQSA-N 0 3 376.429 0.683 20 0 GCADHN [NH3+][C@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000418153753 530749181 /nfs/dbraw/zinc/74/91/81/530749181.db2.gz JBLZAWXDWXHUIK-GFCCVEGCSA-N 0 3 378.857 0.794 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000654732567 530771348 /nfs/dbraw/zinc/77/13/48/530771348.db2.gz BIMFTCMJSXHMLM-INIZCTEOSA-N 0 3 375.535 0.617 20 0 GCADHN CC(=O)Nc1nc(CS(=O)(=O)C(C)C(=O)NC[C@H]2CCCO2)cs1 ZINC000642533338 530772164 /nfs/dbraw/zinc/77/21/64/530772164.db2.gz FGUANNLDBDXGOH-JOYOIKCWSA-N 0 3 375.472 0.700 20 0 GCADHN COc1ccccc1CS(=O)(=O)C(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000642532815 530772365 /nfs/dbraw/zinc/77/23/65/530772365.db2.gz GHNDQRQDQMEVRZ-DGCLKSJQSA-N 0 3 375.468 0.302 20 0 GCADHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480922258 530773288 /nfs/dbraw/zinc/77/32/88/530773288.db2.gz WBZYQWYEBGBONL-HNNXBMFYSA-N 0 3 395.591 0.842 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000480921581 530773394 /nfs/dbraw/zinc/77/33/94/530773394.db2.gz RIOXGVUGUQWCMU-CQSZACIVSA-N 0 3 392.547 0.259 20 0 GCADHN Cn1cc(S(N)(=O)=O)cc1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000031958468 530775568 /nfs/dbraw/zinc/77/55/68/530775568.db2.gz NIUVONVGEOQRHC-UHFFFAOYSA-N 0 3 386.543 0.764 20 0 GCADHN CCOC(=O)CN(CC(F)(F)F)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481240464 530777080 /nfs/dbraw/zinc/77/70/80/530777080.db2.gz YMPCATCTHSKPDB-JTQLQIEISA-N 0 3 389.392 0.923 20 0 GCADHN CCOC(=O)C1CCN(S(=O)(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000481391444 530778468 /nfs/dbraw/zinc/77/84/68/530778468.db2.gz HPNPWRWFLBJQEJ-HNNXBMFYSA-N 0 3 379.548 0.533 20 0 GCADHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481494992 530778848 /nfs/dbraw/zinc/77/88/48/530778848.db2.gz GHCQIFVJXFMCPU-SNVBAGLBSA-N 0 3 376.504 0.842 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1Cl ZINC000045295467 530779654 /nfs/dbraw/zinc/77/96/54/530779654.db2.gz IXOGMRQJYDCECX-ZYHUDNBSSA-N 0 3 379.887 0.947 20 0 GCADHN CCOC(=O)C[C@@](C)(NCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000481691699 530779889 /nfs/dbraw/zinc/77/98/89/530779889.db2.gz XERPLXIRSUKLOT-RHSMWYFYSA-N 0 3 376.519 0.980 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)C1CCOCC1)[C@@H](C)CS(=O)(=O)CC ZINC000481892041 530782117 /nfs/dbraw/zinc/78/21/17/530782117.db2.gz LXOGXFPSTHGCEN-QWHCGFSZSA-N 0 3 383.532 0.640 20 0 GCADHN CCCNc1nnc(S(=O)(=O)C(C)C(=O)N2CCN(C(C)=O)CC2)s1 ZINC000061042025 530785584 /nfs/dbraw/zinc/78/55/84/530785584.db2.gz SWONTFQUZWJPDF-SNVBAGLBSA-N 0 3 389.503 0.213 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000646208885 530785903 /nfs/dbraw/zinc/78/59/03/530785903.db2.gz NDEASCFLDJMKFN-OCCSQVGLSA-N 0 3 384.274 0.841 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000646208886 530786126 /nfs/dbraw/zinc/78/61/26/530786126.db2.gz NDEASCFLDJMKFN-TZMCWYRMSA-N 0 3 384.274 0.841 20 0 GCADHN CCN1CCC(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000581918961 530764395 /nfs/dbraw/zinc/76/43/95/530764395.db2.gz XEHWKNJQUOEBIE-UHFFFAOYSA-N 0 3 389.543 0.616 20 0 GCADHN CCN(CC)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012141370 530765188 /nfs/dbraw/zinc/76/51/88/530765188.db2.gz VHTGFAMRJYGJSU-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000480664855 530768595 /nfs/dbraw/zinc/76/85/95/530768595.db2.gz XHDZUCJBOXNVGK-OAGGEKHMSA-N 0 3 375.535 0.521 20 0 GCADHN COCCOCCS(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000375209086 530800037 /nfs/dbraw/zinc/80/00/37/530800037.db2.gz DBWNIGOFNJINBS-UHFFFAOYSA-N 0 3 377.551 0.329 20 0 GCADHN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)CCCS(N)(=O)=O ZINC000485832234 530800593 /nfs/dbraw/zinc/80/05/93/530800593.db2.gz IKPLAHJULPNROS-ZDUSSCGKSA-N 0 3 375.516 0.898 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(Br)n1 ZINC000375296645 530800711 /nfs/dbraw/zinc/80/07/11/530800711.db2.gz RDJQZVJIFDPGEB-WDEREUQCSA-N 0 3 383.246 0.762 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000375500879 530802533 /nfs/dbraw/zinc/80/25/33/530802533.db2.gz ZAPVUOWKZYXKCM-CVEARBPZSA-N 0 3 375.535 0.496 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cn1cc(Br)ccc1=O ZINC000618304383 530804967 /nfs/dbraw/zinc/80/49/67/530804967.db2.gz YSGKSIPIOLXVHS-UHFFFAOYSA-N 0 3 387.278 0.089 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000486575987 530805643 /nfs/dbraw/zinc/80/56/43/530805643.db2.gz PSRPPMYMOAQLDY-UHFFFAOYSA-N 0 3 375.535 0.617 20 0 GCADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)C[C@@H]1N1CCCC1 ZINC000483410586 530789907 /nfs/dbraw/zinc/78/99/07/530789907.db2.gz QZBNNQXXNQOMEP-GJZGRUSLSA-N 0 3 393.575 0.369 20 0 GCADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)C[C@H]1N1CCCC1 ZINC000483410587 530790148 /nfs/dbraw/zinc/79/01/48/530790148.db2.gz QZBNNQXXNQOMEP-HUUCEWRRSA-N 0 3 393.575 0.369 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000374398707 530791164 /nfs/dbraw/zinc/79/11/64/530791164.db2.gz KZDFNRVOVINYQX-HZSPNIEDSA-N 0 3 387.527 0.737 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CCSC1 ZINC000483954442 530791565 /nfs/dbraw/zinc/79/15/65/530791565.db2.gz KSRXWRGZPPWZDS-MRXNPFEDSA-N 0 3 384.889 0.931 20 0 GCADHN CC(C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000068436727 530793742 /nfs/dbraw/zinc/79/37/42/530793742.db2.gz PMQXJAGDUVZIKR-GFCCVEGCSA-N 0 3 377.484 0.751 20 0 GCADHN CC(C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)S(C)(=O)=O ZINC000068432804 530793748 /nfs/dbraw/zinc/79/37/48/530793748.db2.gz CZSJXRSTIWLQCD-LLVKDONJSA-N 0 3 376.500 0.813 20 0 GCADHN CCCCN1CCC(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000068902459 530795241 /nfs/dbraw/zinc/79/52/41/530795241.db2.gz GHGMHYPFYSLREZ-UHFFFAOYSA-N 0 3 375.516 0.877 20 0 GCADHN C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N1CCCC1 ZINC000069127993 530795531 /nfs/dbraw/zinc/79/55/31/530795531.db2.gz SGYKVZGNWLSJEI-ZDUSSCGKSA-N 0 3 386.543 0.966 20 0 GCADHN CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000069126752 530795810 /nfs/dbraw/zinc/79/58/10/530795810.db2.gz SFWGZQRQBXDBBI-UHFFFAOYSA-N 0 3 386.543 0.966 20 0 GCADHN C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000658412505 530796439 /nfs/dbraw/zinc/79/64/39/530796439.db2.gz XQKGQKLSDBFYFW-VIFPVBQESA-N 0 3 389.421 0.413 20 0 GCADHN COCCCS(=O)(=O)NCCN1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000377957854 530831896 /nfs/dbraw/zinc/83/18/96/530831896.db2.gz TZKSBATTXKFLGK-BRWVUGGUSA-N 0 3 377.551 0.516 20 0 GCADHN CCS(=O)(=O)NCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000378273369 530837073 /nfs/dbraw/zinc/83/70/73/530837073.db2.gz NSZOMGWOMDAIAS-UHFFFAOYSA-N 0 3 375.535 0.856 20 0 GCADHN O=C(N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)[C@@]1(F)CCNC1 ZINC000378206808 530835302 /nfs/dbraw/zinc/83/53/02/530835302.db2.gz GBQCLQQTCGUKMQ-OAHLLOKOSA-N 0 3 377.388 0.499 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(Br)nc1 ZINC000378182526 530835469 /nfs/dbraw/zinc/83/54/69/530835469.db2.gz FWAFVIBOFWQKBG-NEPJUHHUSA-N 0 3 383.246 0.762 20 0 GCADHN CC(C(=O)NCCc1ccc(F)cc1)S(=O)(=O)CCCS(C)(=O)=O ZINC000492183396 530835957 /nfs/dbraw/zinc/83/59/57/530835957.db2.gz VAQMBZYTHHEJQA-LBPRGKRZSA-N 0 3 379.475 0.722 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)CC1 ZINC000618540506 530807627 /nfs/dbraw/zinc/80/76/27/530807627.db2.gz YTRYWJAFIDTDDT-CYBMUJFWSA-N 0 3 388.559 0.861 20 0 GCADHN COCCN(CCN(C)C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000486819593 530808181 /nfs/dbraw/zinc/80/81/81/530808181.db2.gz HCZRQVPZOJLSGJ-LLVKDONJSA-N 0 3 392.444 0.028 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)C(F)(F)F ZINC000486919918 530809448 /nfs/dbraw/zinc/80/94/48/530809448.db2.gz NHDHMQPECNJVDV-NEPJUHHUSA-N 0 3 388.456 0.792 20 0 GCADHN CCOCCCN1CC[C@H](NS(=O)(=O)N(C)CCC(=O)OC)[C@@H](C)C1 ZINC000486989675 530810438 /nfs/dbraw/zinc/81/04/38/530810438.db2.gz UUGAKXGOHUWMDB-GJZGRUSLSA-N 0 3 379.523 0.453 20 0 GCADHN CC[C@H](C)N[C@@H](CNC(=O)NCCNS(=O)(=O)N(C)C)c1ccco1 ZINC000655912707 530812275 /nfs/dbraw/zinc/81/22/75/530812275.db2.gz CEZZYMVEEDZCKY-STQMWFEESA-N 0 3 375.495 0.404 20 0 GCADHN CC[C@@H](C)N[C@H](CNC(=O)NCCNS(=O)(=O)N(C)C)c1ccco1 ZINC000655912704 530812401 /nfs/dbraw/zinc/81/24/01/530812401.db2.gz CEZZYMVEEDZCKY-CHWSQXEVSA-N 0 3 375.495 0.404 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378230554 530836351 /nfs/dbraw/zinc/83/63/51/530836351.db2.gz QMKDUQNQMOJJQN-GFCCVEGCSA-N 0 3 385.262 0.702 20 0 GCADHN COCCCN(C)CCNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000376391021 530814214 /nfs/dbraw/zinc/81/42/14/530814214.db2.gz IDMAXFNKHXSILH-CQSZACIVSA-N 0 3 376.523 0.211 20 0 GCADHN CS(=O)(=O)N1CC(CN[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)C1 ZINC000488166095 530816203 /nfs/dbraw/zinc/81/62/03/530816203.db2.gz UFIOWIAMOWMUKX-ZDUSSCGKSA-N 0 3 379.404 0.583 20 0 GCADHN CS(=O)(=O)N1CC(CN[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)C1 ZINC000488166094 530816340 /nfs/dbraw/zinc/81/63/40/530816340.db2.gz UFIOWIAMOWMUKX-CYBMUJFWSA-N 0 3 379.404 0.583 20 0 GCADHN CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000488814581 530819059 /nfs/dbraw/zinc/81/90/59/530819059.db2.gz ALMCULVDJDIJGO-IIAWOOMASA-N 0 3 375.535 0.662 20 0 GCADHN CC(=O)c1cc(S(=O)(=O)N2CCO[C@@H](CN)C2)ccc1Br ZINC000376938396 530820318 /nfs/dbraw/zinc/82/03/18/530820318.db2.gz BAJDCKBPOBMHMQ-JTQLQIEISA-N 0 3 377.260 1.000 20 0 GCADHN CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2F)C[C@@H]1N(C)C ZINC000495634060 530849600 /nfs/dbraw/zinc/84/96/00/530849600.db2.gz CPEJQNUEJMLZQR-UONOGXRCSA-N 0 3 389.518 0.998 20 0 GCADHN CCC[C@@](C)(N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000496409875 530849663 /nfs/dbraw/zinc/84/96/63/530849663.db2.gz DVUXSRLWPHIZAO-OAHLLOKOSA-N 0 3 375.516 0.903 20 0 GCADHN CS[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2F)C[C@@H]1N(C)C ZINC000495634051 530849750 /nfs/dbraw/zinc/84/97/50/530849750.db2.gz CPEJQNUEJMLZQR-KBPBESRZSA-N 0 3 389.518 0.998 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)NCCCNCc2cccnc2)cc1 ZINC000392251600 530854836 /nfs/dbraw/zinc/85/48/36/530854836.db2.gz AKNGBVYMZLGVJV-UHFFFAOYSA-N 0 3 383.495 0.943 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)C1 ZINC000584368298 530857183 /nfs/dbraw/zinc/85/71/83/530857183.db2.gz HXOOTLVAWMTYFZ-VXGBXAGGSA-N 0 3 388.456 0.840 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)C1 ZINC000584368296 530857413 /nfs/dbraw/zinc/85/74/13/530857413.db2.gz HXOOTLVAWMTYFZ-NWDGAFQWSA-N 0 3 388.456 0.840 20 0 GCADHN CO[C@H](CS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000656894987 530857448 /nfs/dbraw/zinc/85/74/48/530857448.db2.gz YODXNQYVPYDRMB-HZPDHXFCSA-N 0 3 375.535 0.698 20 0 GCADHN COC1CCN(S(=O)(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000656938074 530861670 /nfs/dbraw/zinc/86/16/70/530861670.db2.gz IZMPBCAXCXIUIL-IRXDYDNUSA-N 0 3 375.535 0.700 20 0 GCADHN CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)cc2C1 ZINC000656943135 530861885 /nfs/dbraw/zinc/86/18/85/530861885.db2.gz JVIXPBTTXFTUFM-OAHLLOKOSA-N 0 3 375.516 0.244 20 0 GCADHN CC(C)(C)N1CC[C@@H](CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000657032783 530868431 /nfs/dbraw/zinc/86/84/31/530868431.db2.gz FDRZBZWTOYPRDG-LBPRGKRZSA-N 0 3 375.516 0.733 20 0 GCADHN CCN1CCN(CCC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000502127635 530872664 /nfs/dbraw/zinc/87/26/64/530872664.db2.gz QTENIUALZZQCMR-CQSZACIVSA-N 0 3 389.543 0.027 20 0 GCADHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000493800100 530840255 /nfs/dbraw/zinc/84/02/55/530840255.db2.gz YDWFHRJEKKWTPH-UHFFFAOYSA-N 0 3 389.909 0.396 20 0 GCADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000627315875 530845906 /nfs/dbraw/zinc/84/59/06/530845906.db2.gz SMMLIYNHNUWZBR-ZDUSSCGKSA-N 0 3 397.273 0.478 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC[C@@H](O)COC2CCOCC2)s1 ZINC000582601014 530846151 /nfs/dbraw/zinc/84/61/51/530846151.db2.gz GPCBDDFJDGFHCX-CYBMUJFWSA-N 0 3 378.516 0.481 20 0 GCADHN CC(C)(CNC(=O)NCC1(N2CCSCC2)CCCC1)NS(C)(=O)=O ZINC000069405682 530898681 /nfs/dbraw/zinc/89/86/81/530898681.db2.gz HHQACGCBYCRXFZ-UHFFFAOYSA-N 0 3 392.591 0.975 20 0 GCADHN C[C@H](NS(C)(=O)=O)C(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000670396301 530899852 /nfs/dbraw/zinc/89/98/52/530899852.db2.gz UVIWMJPQIKINBM-DZGCQCFKSA-N 0 3 377.551 0.644 20 0 GCADHN CCS(=O)(=O)NCC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000670395911 530900113 /nfs/dbraw/zinc/90/01/13/530900113.db2.gz MFCVIKOFPQXLEL-HNNXBMFYSA-N 0 3 377.551 0.646 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccccc1I ZINC000123426758 530904485 /nfs/dbraw/zinc/90/44/85/530904485.db2.gz RQEMKUSGOQZBRV-SECBINFHSA-N 0 3 391.209 0.268 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1I ZINC000123426963 530905052 /nfs/dbraw/zinc/90/50/52/530905052.db2.gz RQEMKUSGOQZBRV-VIFPVBQESA-N 0 3 391.209 0.268 20 0 GCADHN Nc1nc(N)nc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000623808055 530908767 /nfs/dbraw/zinc/90/87/67/530908767.db2.gz ANDKUDOYAAZZOV-UHFFFAOYSA-N 0 3 387.828 0.000 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000502836196 530877370 /nfs/dbraw/zinc/87/73/70/530877370.db2.gz PEFZVVPDMRETBG-CMPLNLGQSA-N 0 3 388.877 0.430 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000503024861 530878460 /nfs/dbraw/zinc/87/84/60/530878460.db2.gz YGVJNNFLOKGVSF-LSDHHAIUSA-N 0 3 394.607 0.190 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000503236671 530879850 /nfs/dbraw/zinc/87/98/50/530879850.db2.gz YRUDNVJJSQQOPU-GJZGRUSLSA-N 0 3 394.607 0.047 20 0 GCADHN CN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 ZINC000623529128 530887010 /nfs/dbraw/zinc/88/70/10/530887010.db2.gz WPPBJCGZNRFBEX-UHFFFAOYSA-N 0 3 387.527 0.718 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000504560407 530890764 /nfs/dbraw/zinc/89/07/64/530890764.db2.gz HIAUMZMYGKTYMT-OAHLLOKOSA-N 0 3 391.877 0.111 20 0 GCADHN CN(C)CCN(C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000505660394 530894957 /nfs/dbraw/zinc/89/49/57/530894957.db2.gz RSJVHVWABPTDFU-UHFFFAOYSA-N 0 3 387.527 0.935 20 0 GCADHN N[C@H](CNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000418435722 530929713 /nfs/dbraw/zinc/92/97/13/530929713.db2.gz WQWPLVGHERMZKJ-UONOGXRCSA-N 0 3 383.495 0.882 20 0 GCADHN N[C@@H](CNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000418435720 530929884 /nfs/dbraw/zinc/92/98/84/530929884.db2.gz WQWPLVGHERMZKJ-KGLIPLIRSA-N 0 3 383.495 0.882 20 0 GCADHN CC[C@H](C)[C@H](NC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)OC ZINC000510743711 530930089 /nfs/dbraw/zinc/93/00/89/530930089.db2.gz BIUUPBBVPIUSJG-JLNYLFASSA-N 0 3 377.507 0.140 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCCOc1ccc(S(N)(=O)=O)cc1 ZINC000510794822 530930232 /nfs/dbraw/zinc/93/02/32/530930232.db2.gz FIMUSKWAHRGRRK-CABCVRRESA-N 0 3 391.515 0.163 20 0 GCADHN COC(=O)c1ccc(F)cc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000611018816 530932084 /nfs/dbraw/zinc/93/20/84/530932084.db2.gz MXYGWRVTXAXDDA-UHFFFAOYSA-N 0 3 375.466 0.726 20 0 GCADHN O=C(NC[C@@H](CO)Cc1ccccc1Br)NC[C@@H]1CNCCO1 ZINC000418754259 530934079 /nfs/dbraw/zinc/93/40/79/530934079.db2.gz AXWAGQPMWLNMQB-JSGCOSHPSA-N 0 3 386.290 0.888 20 0 GCADHN COc1ccccc1[C@H](N)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000646603718 530915120 /nfs/dbraw/zinc/91/51/20/530915120.db2.gz SGCGKAKGEGKCIA-LLVKDONJSA-N 0 3 397.229 0.536 20 0 GCADHN C[C@@H]1CN(CCOC2CCN(CCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000508968172 530915508 /nfs/dbraw/zinc/91/55/08/530915508.db2.gz VILRMFIVIKHNDH-IYBDPMFKSA-N 0 3 377.551 0.468 20 0 GCADHN C[C@@H]1CN(CCOC2CCN(CCS(=O)(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000508968171 530915658 /nfs/dbraw/zinc/91/56/58/530915658.db2.gz VILRMFIVIKHNDH-HZPDHXFCSA-N 0 3 377.551 0.468 20 0 GCADHN C[C@H](Oc1ccccc1Br)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584481013 530916253 /nfs/dbraw/zinc/91/62/53/530916253.db2.gz WWKOMFAFSPNGGQ-DMDPSCGWSA-N 0 3 382.258 0.987 20 0 GCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)NCCC(=O)OC)CC1 ZINC000584493054 530916582 /nfs/dbraw/zinc/91/65/82/530916582.db2.gz DWBNMKZPLPDTHS-ZDUSSCGKSA-N 0 3 377.507 0.048 20 0 GCADHN Nc1nc(N)nc(NCc2ccc(Br)cc2N2CCOCC2)n1 ZINC000624051110 530918248 /nfs/dbraw/zinc/91/82/48/530918248.db2.gz RIFQDZVTTYYMTA-UHFFFAOYSA-N 0 3 380.250 0.330 20 0 GCADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c1OC ZINC000510041711 530923636 /nfs/dbraw/zinc/92/36/36/530923636.db2.gz KXHLBESQJCSDCH-HNNXBMFYSA-N 0 3 393.893 0.299 20 0 GCADHN CS(=O)(=O)c1cc(Br)cc(C(=O)NC[C@@H]2CNCCO2)c1F ZINC000584776115 530923852 /nfs/dbraw/zinc/92/38/52/530923852.db2.gz HOBBCUINRAWSCJ-VIFPVBQESA-N 0 3 395.250 0.710 20 0 GCADHN CCCCN(C(=O)CN[C@@H](CO)C1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000584801045 530924371 /nfs/dbraw/zinc/92/43/71/530924371.db2.gz KLDQEWUWOCZPOZ-HOTGVXAUSA-N 0 3 376.519 0.179 20 0 GCADHN CCCCN(C(=O)CN[C@H](CO)C1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000584801047 530924434 /nfs/dbraw/zinc/92/44/34/530924434.db2.gz KLDQEWUWOCZPOZ-HZPDHXFCSA-N 0 3 376.519 0.179 20 0 GCADHN O=C(NC[C@@H](O)COc1ccccc1Br)NC[C@H]1CNCCO1 ZINC000418757683 530934560 /nfs/dbraw/zinc/93/45/60/530934560.db2.gz DRRABLKBFXBXDV-VXGBXAGGSA-N 0 3 388.262 0.476 20 0 GCADHN COC(=O)[C@H](COC(C)C)N(C)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000610840362 530926194 /nfs/dbraw/zinc/92/61/94/530926194.db2.gz VPBVEZKSMDYPMW-JSGCOSHPSA-N 0 3 379.475 0.394 20 0 GCADHN O=C(NC[C@@H](CO)Cc1ccccc1Br)NC[C@H]1CNCCO1 ZINC000418754255 530934582 /nfs/dbraw/zinc/93/45/82/530934582.db2.gz AXWAGQPMWLNMQB-GXTWGEPZSA-N 0 3 386.290 0.888 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000419367072 530957772 /nfs/dbraw/zinc/95/77/72/530957772.db2.gz WGGLNYQIYHSCFU-LLVKDONJSA-N 0 3 399.289 0.491 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H](CN)C2CCCCC2)s1 ZINC000419415845 530958226 /nfs/dbraw/zinc/95/82/26/530958226.db2.gz NVUNBBFZALCFFZ-CYBMUJFWSA-N 0 3 387.527 0.792 20 0 GCADHN [NH3+]C[C@@H]1CN(C(=O)C(=O)NCc2ccc([O-])c(Br)c2)CCCO1 ZINC000419407356 530958489 /nfs/dbraw/zinc/95/84/89/530958489.db2.gz KIRROGIDEVQOJT-LLVKDONJSA-N 0 3 386.246 0.347 20 0 GCADHN COc1cc(CNC(=O)C(=O)N(C)[C@@H](C)CN)cc(Br)c1OC ZINC000419446888 530958994 /nfs/dbraw/zinc/95/89/94/530958994.db2.gz WFBHETSFFSMGPV-VIFPVBQESA-N 0 3 388.262 0.888 20 0 GCADHN NC[C@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419568797 530959717 /nfs/dbraw/zinc/95/97/17/530959717.db2.gz LCGDBTMJAXWZIE-CYBMUJFWSA-N 0 3 387.889 0.570 20 0 GCADHN O=C(NCc1cc2cc(Br)ccc2[nH]1)C(=O)NC[C@H]1CNCCO1 ZINC000419681374 530961619 /nfs/dbraw/zinc/96/16/19/530961619.db2.gz UHVZFJJQWVUVAO-CYBMUJFWSA-N 0 3 395.257 0.651 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000632197261 530962760 /nfs/dbraw/zinc/96/27/60/530962760.db2.gz ONSMURIHSURCIS-HNNXBMFYSA-N 0 3 381.564 0.594 20 0 GCADHN CN(C(=O)C(=O)NC[C@H](N)C1CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000419871430 530963922 /nfs/dbraw/zinc/96/39/22/530963922.db2.gz SWXNQBTXSVBMEP-STQMWFEESA-N 0 3 385.873 0.480 20 0 GCADHN CCN(C(=O)C(=O)N[C@@H](CN)C1CCCCC1)[C@H](C)CS(=O)(=O)CC ZINC000419961729 530964190 /nfs/dbraw/zinc/96/41/90/530964190.db2.gz GEYMUFWSZFHKII-HIFRSBDPSA-N 0 3 375.535 0.682 20 0 GCADHN C[NH2+]CCOCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000627029253 530964599 /nfs/dbraw/zinc/96/45/99/530964599.db2.gz RMSXZZVTJKGFNX-UHFFFAOYSA-N 0 3 396.872 0.293 20 0 GCADHN O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)NC[C@H]1CNCCO1 ZINC000418762673 530935218 /nfs/dbraw/zinc/93/52/18/530935218.db2.gz JEMCFVRIYYGYSB-DZGCQCFKSA-N 0 3 386.290 0.888 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000418803121 530935777 /nfs/dbraw/zinc/93/57/77/530935777.db2.gz DPVBECHJFVWTHP-VIFPVBQESA-N 0 3 396.245 0.921 20 0 GCADHN CC[C@@H](O)[C@@H]1CCCCN1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000511569558 530938111 /nfs/dbraw/zinc/93/81/11/530938111.db2.gz FGESBINCXQVCDV-JKSUJKDBSA-N 0 3 377.551 0.788 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@@H](NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000511710416 530939423 /nfs/dbraw/zinc/93/94/23/530939423.db2.gz PMPYXYUZJXGNCM-JHJVBQTASA-N 0 3 381.541 0.828 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000419994707 530964868 /nfs/dbraw/zinc/96/48/68/530964868.db2.gz HEKGLHJMSLEAJS-GFCCVEGCSA-N 0 3 383.290 0.557 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000420029720 530964887 /nfs/dbraw/zinc/96/48/87/530964887.db2.gz OOEAQSTXHDGWNU-JTQLQIEISA-N 0 3 380.495 0.711 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000420038821 530964907 /nfs/dbraw/zinc/96/49/07/530964907.db2.gz KMTUWWFPKXTVDL-INIZCTEOSA-N 0 3 386.290 0.998 20 0 GCADHN C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418847405 530942126 /nfs/dbraw/zinc/94/21/26/530942126.db2.gz VIZPIXDXYKFQKV-BXUZGUMPSA-N 0 3 384.274 0.601 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000418872081 530947199 /nfs/dbraw/zinc/94/71/99/530947199.db2.gz VXXYUDIDVVKEIX-NEPJUHHUSA-N 0 3 383.290 0.950 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)CCCN2CCCC2)cc1 ZINC000631761109 530947259 /nfs/dbraw/zinc/94/72/59/530947259.db2.gz NSTAVMNMUBYQPK-UHFFFAOYSA-N 0 3 389.543 0.842 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1Br ZINC000564100928 530947555 /nfs/dbraw/zinc/94/75/55/530947555.db2.gz OEGNETWSHHLMCW-WCQYABFASA-N 0 3 395.257 0.466 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000631898349 530949640 /nfs/dbraw/zinc/94/96/40/530949640.db2.gz JDMPZLNNBRUACW-AWEZNQCLSA-N 0 3 379.473 0.992 20 0 GCADHN C[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(C)(C)C[NH+](C)C ZINC000175827031 530949966 /nfs/dbraw/zinc/94/99/66/530949966.db2.gz ZQCXCISZTOMVFG-SECBINFHSA-N 0 3 375.267 0.392 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000420021209 530965301 /nfs/dbraw/zinc/96/53/01/530965301.db2.gz HEKGLHJMSLEAJS-LBPRGKRZSA-N 0 3 383.290 0.557 20 0 GCADHN CN(C1CC[NH2+]CC1)S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000631921854 530951609 /nfs/dbraw/zinc/95/16/09/530951609.db2.gz LNBMLGYTNKSMFW-HNNXBMFYSA-N 0 3 386.905 0.964 20 0 GCADHN COCCN(Cc1sccc1Br)C(=O)C(=O)N[C@@H](C)CN ZINC000420030497 530965378 /nfs/dbraw/zinc/96/53/78/530965378.db2.gz PUMRVLXGTBBKJV-VIFPVBQESA-N 0 3 378.292 0.949 20 0 GCADHN COCCNCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000262013633 530951807 /nfs/dbraw/zinc/95/18/07/530951807.db2.gz VCHFQIITEBCPMZ-UHFFFAOYSA-N 0 3 377.413 0.034 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418951298 530951832 /nfs/dbraw/zinc/95/18/32/530951832.db2.gz XCIZLQHHSRKOJN-GXTWGEPZSA-N 0 3 382.258 0.657 20 0 GCADHN NCC(F)(F)CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000419033871 530952483 /nfs/dbraw/zinc/95/24/83/530952483.db2.gz LXUFTTICNMGROH-UHFFFAOYSA-N 0 3 378.489 0.565 20 0 GCADHN COCCNCCNC(=O)C(=O)NCc1ccc(Br)c(F)c1 ZINC000419044739 530953382 /nfs/dbraw/zinc/95/33/82/530953382.db2.gz UTRQJBIBXZFDSA-UHFFFAOYSA-N 0 3 376.226 0.557 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCc1cn2cc(Br)ccc2n1)C1CC1 ZINC000420067817 530965469 /nfs/dbraw/zinc/96/54/69/530965469.db2.gz TYNVJHILEBSEEJ-GFCCVEGCSA-N 0 3 380.246 0.567 20 0 GCADHN CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)N(CCN)CCO ZINC000419047832 530954305 /nfs/dbraw/zinc/95/43/05/530954305.db2.gz AJOOXJOLCBWQTK-CYBMUJFWSA-N 0 3 386.290 0.666 20 0 GCADHN CSCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000262196154 530965494 /nfs/dbraw/zinc/96/54/94/530965494.db2.gz VEAUQKRILPCLNL-GFCCVEGCSA-N 0 3 376.504 0.205 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)CN)s1 ZINC000419073668 530954514 /nfs/dbraw/zinc/95/45/14/530954514.db2.gz QGYVCFBXIUJMQD-LLVKDONJSA-N 0 3 390.531 0.200 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419075010 530955699 /nfs/dbraw/zinc/95/56/99/530955699.db2.gz NYBRIPNBNAGFFY-RYUDHWBXSA-N 0 3 383.290 0.855 20 0 GCADHN NCCNC(=O)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000419166116 530956111 /nfs/dbraw/zinc/95/61/11/530956111.db2.gz OKUHHDGZPOGJAH-UHFFFAOYSA-N 0 3 383.290 0.605 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000419198228 530956130 /nfs/dbraw/zinc/95/61/30/530956130.db2.gz KPPYYCSZRYNNOK-LLVKDONJSA-N 0 3 399.289 0.365 20 0 GCADHN CN(CCN)C(=O)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000419200061 530956499 /nfs/dbraw/zinc/95/64/99/530956499.db2.gz LTRPIKUDBGUMMS-UHFFFAOYSA-N 0 3 399.289 0.319 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000419186565 530956649 /nfs/dbraw/zinc/95/66/49/530956649.db2.gz MEHQYFDRUMHPJC-WCQYABFASA-N 0 3 383.290 0.950 20 0 GCADHN O=C(NCCOc1ccc(Br)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419213795 530956844 /nfs/dbraw/zinc/95/68/44/530956844.db2.gz AGNYYISECCNAQE-ZDUSSCGKSA-N 0 3 386.246 0.049 20 0 GCADHN CCN(CCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C1CC1 ZINC000522053733 530972510 /nfs/dbraw/zinc/97/25/10/530972510.db2.gz HUHMXCBYAFSOMA-HNNXBMFYSA-N 0 3 376.523 0.258 20 0 GCADHN C[C@@H](C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1[C@H](C)CC[C@@H]1C ZINC000522064823 530973042 /nfs/dbraw/zinc/97/30/42/530973042.db2.gz UYPNJZDSKDWEGQ-FZKCQIBNSA-N 0 3 375.535 0.852 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cncc(Br)c1 ZINC000522134860 530973781 /nfs/dbraw/zinc/97/37/81/530973781.db2.gz JWMNRQZHEUZUGU-UHFFFAOYSA-N 0 3 379.324 0.958 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000522231039 530975277 /nfs/dbraw/zinc/97/52/77/530975277.db2.gz GHFOWDQPXCDTRC-GJZGRUSLSA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CCN1CCCS1(=O)=O ZINC000522288624 530976196 /nfs/dbraw/zinc/97/61/96/530976196.db2.gz JRMGXEFJZFHGMF-UHFFFAOYSA-N 0 3 377.507 0.144 20 0 GCADHN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)NC1CNC1 ZINC000642318670 530977464 /nfs/dbraw/zinc/97/74/64/530977464.db2.gz GQRMMXQEDDAIGD-UHFFFAOYSA-N 0 3 376.726 0.106 20 0 GCADHN CN(C)S(=O)(=O)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000571849148 530982030 /nfs/dbraw/zinc/98/20/30/530982030.db2.gz VLKXTSPEWMAHHV-UHFFFAOYSA-N 0 3 392.591 0.929 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000633105804 530982119 /nfs/dbraw/zinc/98/21/19/530982119.db2.gz OPTZVZOBROCAAS-MFKMUULPSA-N 0 3 392.283 0.997 20 0 GCADHN CSCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000262411245 530982601 /nfs/dbraw/zinc/98/26/01/530982601.db2.gz DPTILXMZGCFAAG-ZDUSSCGKSA-N 0 3 393.481 0.878 20 0 GCADHN CS[C@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)C[C@H]1N(C)C ZINC000536813097 530982897 /nfs/dbraw/zinc/98/28/97/530982897.db2.gz ADXRXJYVHUHTDQ-BDAKNGLRSA-N 0 3 384.453 0.832 20 0 GCADHN CN(Cc1cc(Br)cs1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420188401 530965972 /nfs/dbraw/zinc/96/59/72/530965972.db2.gz COVOSRDDYKAOOH-SNVBAGLBSA-N 0 3 376.276 0.574 20 0 GCADHN CN(C)C1(CNC(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000420177104 530966126 /nfs/dbraw/zinc/96/61/26/530966126.db2.gz YJAFFWXSEBDGPJ-UHFFFAOYSA-N 0 3 390.303 0.938 20 0 GCADHN COCCNCCNC(=O)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000420190390 530966198 /nfs/dbraw/zinc/96/61/98/530966198.db2.gz VITTWIBGJLEXCI-UHFFFAOYSA-N 0 3 386.290 0.802 20 0 GCADHN C[C@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420198398 530966300 /nfs/dbraw/zinc/96/63/00/530966300.db2.gz MQLDDWMHUHAFAM-NWDGAFQWSA-N 0 3 396.285 0.999 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000420205736 530966709 /nfs/dbraw/zinc/96/67/09/530966709.db2.gz SBKMOGGSMGLBOW-LBPRGKRZSA-N 0 3 382.258 0.438 20 0 GCADHN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420206296 530966866 /nfs/dbraw/zinc/96/68/66/530966866.db2.gz SMTQFVKWYLTRRL-IAQYHMDHSA-N 0 3 396.285 0.827 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCOc2ccc(Br)cc2C1 ZINC000420212044 530967038 /nfs/dbraw/zinc/96/70/38/530967038.db2.gz XQKDCSYPONATPB-ZDUSSCGKSA-N 0 3 398.257 0.275 20 0 GCADHN COC(=O)c1c(OC)ccc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)c1OC ZINC000420457193 530968018 /nfs/dbraw/zinc/96/80/18/530968018.db2.gz HQLXHUDHYFWPTJ-QMMMGPOBSA-N 0 3 382.385 0.751 20 0 GCADHN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)s1 ZINC000420475683 530968541 /nfs/dbraw/zinc/96/85/41/530968541.db2.gz HHBJYZGGXHJVQM-CYBMUJFWSA-N 0 3 389.543 0.720 20 0 GCADHN COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CNCCO2)c1 ZINC000420471971 530968630 /nfs/dbraw/zinc/96/86/30/530968630.db2.gz BGFSLJWIRKKVQU-NSHDSACASA-N 0 3 393.259 0.502 20 0 GCADHN COC(=O)c1cc(Br)cc(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000420471970 530968780 /nfs/dbraw/zinc/96/87/80/530968780.db2.gz BGFSLJWIRKKVQU-LLVKDONJSA-N 0 3 393.259 0.502 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)c(Br)c1 ZINC000420478458 530968906 /nfs/dbraw/zinc/96/89/06/530968906.db2.gz LHCIIAGAQYQDSA-JTQLQIEISA-N 0 3 393.259 0.502 20 0 GCADHN CN(CC[NH3+])S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000420473855 530968961 /nfs/dbraw/zinc/96/89/61/530968961.db2.gz WWDWTGAGNHVIAI-UHFFFAOYSA-N 0 3 375.394 0.106 20 0 GCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000632368470 530968965 /nfs/dbraw/zinc/96/89/65/530968965.db2.gz HWGMLEMSKXOXMJ-BLLLJJGKSA-N 0 3 387.527 0.840 20 0 GCADHN CO[C@H]1CCCC[C@H]1S(=O)(=O)NCC(=O)NCCN1CCCCCC1 ZINC000632363814 530969116 /nfs/dbraw/zinc/96/91/16/530969116.db2.gz YQJGXTWIPRWDNK-JKSUJKDBSA-N 0 3 375.535 0.856 20 0 GCADHN C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@H]1C[NH3+] ZINC000420482786 530969612 /nfs/dbraw/zinc/96/96/12/530969612.db2.gz VDNUUFAUZQPODO-WDEREUQCSA-N 0 3 379.479 0.803 20 0 GCADHN CO[C@H](CC(C)C)CS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420664817 530971127 /nfs/dbraw/zinc/97/11/27/530971127.db2.gz MSMULQALLSHMCA-MRXNPFEDSA-N 0 3 375.535 0.617 20 0 GCADHN CC(C)O[C@@]1(CS(=O)(=O)NCCCCN2CCC[C@H]2CO)CCOC1 ZINC000659915031 530998508 /nfs/dbraw/zinc/99/85/08/530998508.db2.gz NTBGKVMUAOYVBL-IRXDYDNUSA-N 0 3 378.535 0.727 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C2CC[NH2+]CC2)c(Br)c1 ZINC000262042655 530992523 /nfs/dbraw/zinc/99/25/23/530992523.db2.gz LNCSTQJASAOLTM-UHFFFAOYSA-N 0 3 397.316 0.883 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000658779473 530992733 /nfs/dbraw/zinc/99/27/33/530992733.db2.gz PXGIUMMEBNNEDF-NSHDSACASA-N 0 3 385.262 0.687 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC([NH3+])CC2)c(OC)c1 ZINC000262101440 530993220 /nfs/dbraw/zinc/99/32/20/530993220.db2.gz DFKJBEXMPNMHIL-UHFFFAOYSA-N 0 3 377.488 0.569 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](N)c2ccccc2)cc1C ZINC000262083637 530993249 /nfs/dbraw/zinc/99/32/49/530993249.db2.gz QSWIFUBXQLCFNN-OAHLLOKOSA-N 0 3 383.495 0.881 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)c(OC)c1 ZINC000262096998 530993319 /nfs/dbraw/zinc/99/33/19/530993319.db2.gz BYOKPBVCPHKSMK-GFCCVEGCSA-N 0 3 377.488 0.472 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1F ZINC000262124237 530993782 /nfs/dbraw/zinc/99/37/82/530993782.db2.gz KVJGNXAXBWMTAN-NSHDSACASA-N 0 3 379.479 0.865 20 0 GCADHN Cn1cc(S(=O)(=O)NCCN2CCNC[C@@H]2c2ccccc2Cl)cn1 ZINC000262124612 530994059 /nfs/dbraw/zinc/99/40/59/530994059.db2.gz CLIDOFWJTSEDKA-MRXNPFEDSA-N 0 3 383.905 0.998 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C2CC2)s1 ZINC000262146436 530994376 /nfs/dbraw/zinc/99/43/76/530994376.db2.gz QDWMFQHJDSLFMU-LBPRGKRZSA-N 0 3 381.545 0.246 20 0 GCADHN CN[C@@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C1 ZINC000262152860 530994464 /nfs/dbraw/zinc/99/44/64/530994464.db2.gz ZBYKKKOTTLZLFI-SECBINFHSA-N 0 3 397.316 0.835 20 0 GCADHN CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCNCC2)cc1F ZINC000262153289 530994593 /nfs/dbraw/zinc/99/45/93/530994593.db2.gz SCEAUOOAXVWYJJ-UHFFFAOYSA-N 0 3 379.479 0.960 20 0 GCADHN O=C(NCCNC(=O)[C@H]1CNCCC1(F)F)c1ccc(Br)cn1 ZINC000659337474 530994922 /nfs/dbraw/zinc/99/49/22/530994922.db2.gz WFNZIXVFQKEIOB-SNVBAGLBSA-N 0 3 391.216 0.935 20 0 GCADHN CN(C)CCOc1ccc(CNS(=O)(=O)CCCS(C)(=O)=O)cc1 ZINC000525406832 530995445 /nfs/dbraw/zinc/99/54/45/530995445.db2.gz FQHQWVAJHQPPMB-UHFFFAOYSA-N 0 3 378.516 0.481 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)N ZINC000262202347 530995685 /nfs/dbraw/zinc/99/56/85/530995685.db2.gz DEZDFLZBLSMMAM-DGCLKSJQSA-N 0 3 376.500 0.989 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCN(c2ccc(Br)cc2)CC1)C1CC1 ZINC000659718815 530996245 /nfs/dbraw/zinc/99/62/45/530996245.db2.gz RYTXDZYZGRWAFX-OAHLLOKOSA-N 0 3 395.301 0.951 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659910816 530998091 /nfs/dbraw/zinc/99/80/91/530998091.db2.gz UOQDDZWNEHTOES-IUODEOHRSA-N 0 3 384.527 0.995 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000524721016 530988231 /nfs/dbraw/zinc/98/82/31/530988231.db2.gz YRPPXVVQVTUJDM-CYBMUJFWSA-N 0 3 387.527 0.841 20 0 GCADHN [NH3+]C[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000237854590 530989078 /nfs/dbraw/zinc/98/90/78/530989078.db2.gz SIUHELPYBWADDW-SECBINFHSA-N 0 3 396.332 0.986 20 0 GCADHN CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261726548 530989249 /nfs/dbraw/zinc/98/92/49/530989249.db2.gz NVJHLDKBDFIQMG-GFCCVEGCSA-N 0 3 383.440 0.654 20 0 GCADHN C[C@]1(C[NH3+])CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000261735832 530989457 /nfs/dbraw/zinc/98/94/57/530989457.db2.gz DBUUCLAQPYJRKI-GFCCVEGCSA-N 0 3 396.332 0.986 20 0 GCADHN Cn1cc(S(=O)(=O)NCCN2CCNC[C@H]2c2cccc(Cl)c2)cn1 ZINC000261809027 530990280 /nfs/dbraw/zinc/99/02/80/530990280.db2.gz WRIZEMFLKWTRQV-INIZCTEOSA-N 0 3 383.905 0.998 20 0 GCADHN NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC3CC3)C2)cc1 ZINC000660179710 531005723 /nfs/dbraw/zinc/00/57/23/531005723.db2.gz PWAZAYDBXJTSOS-AWEZNQCLSA-N 0 3 387.527 0.734 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000660605849 531009253 /nfs/dbraw/zinc/00/92/53/531009253.db2.gz LNXGUYHTOOIHPI-OAHLLOKOSA-N 0 3 392.591 0.785 20 0 GCADHN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000422500838 531013816 /nfs/dbraw/zinc/01/38/16/531013816.db2.gz OPQJAICEEMOGHG-UHFFFAOYSA-N 0 3 389.905 0.770 20 0 GCADHN CN(CCN)C(=O)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000423096480 531016703 /nfs/dbraw/zinc/01/67/03/531016703.db2.gz OZEVJBXCKSIPAI-UHFFFAOYSA-N 0 3 383.290 0.510 20 0 GCADHN Cn1cc(I)c(CN[C@@H](C2CC2)[C@@H]2CNCCO2)n1 ZINC000423155486 531017280 /nfs/dbraw/zinc/01/72/80/531017280.db2.gz LEQBPXOYAZMYJR-STQMWFEESA-N 0 3 376.242 0.881 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3F)CCN2C1=O ZINC000580725280 531017494 /nfs/dbraw/zinc/01/74/94/531017494.db2.gz PZGLMJGECXUMCY-PSASIEDQSA-N 0 3 392.250 0.521 20 0 GCADHN CN(C(=O)C(=O)N1CCC[C@H](N)C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000423564370 531018123 /nfs/dbraw/zinc/01/81/23/531018123.db2.gz PLBQAMDMPBDMPK-AAEUAGOBSA-N 0 3 385.873 0.577 20 0 GCADHN C[C@H]1CCCN(C(=O)C(=O)N(C)CCn2cc(Br)cn2)[C@H]1CN ZINC000423738973 531018727 /nfs/dbraw/zinc/01/87/27/531018727.db2.gz QWADCLMIHJWTMI-AAEUAGOBSA-N 0 3 386.294 0.690 20 0 GCADHN CN(C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)[C@@H](C[NH3+])C1CC1 ZINC000423944205 531018883 /nfs/dbraw/zinc/01/88/83/531018883.db2.gz HDPWVWQEQKZALO-VIFPVBQESA-N 0 3 396.332 0.985 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000423726398 531018889 /nfs/dbraw/zinc/01/88/89/531018889.db2.gz UCOBZVDTBOHFGX-ZDUSSCGKSA-N 0 3 397.317 0.899 20 0 GCADHN [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000662452799 531021075 /nfs/dbraw/zinc/02/10/75/531021075.db2.gz MANBWKWQGNFFCY-RYUDHWBXSA-N 0 3 381.376 0.830 20 0 GCADHN O=C(c1cc2c(s1)CCNC2)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000662545332 531021746 /nfs/dbraw/zinc/02/17/46/531021746.db2.gz OIHMPTZVQFZEHL-UHFFFAOYSA-N 0 3 381.483 0.264 20 0 GCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000424115788 531022300 /nfs/dbraw/zinc/02/23/00/531022300.db2.gz VXQQIDBERGBCLW-ADEWGFFLSA-N 0 3 376.194 0.494 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662589471 531022548 /nfs/dbraw/zinc/02/25/48/531022548.db2.gz ZJVRSNCCZGBONU-GFCCVEGCSA-N 0 3 399.289 0.950 20 0 GCADHN [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000662811136 531023507 /nfs/dbraw/zinc/02/35/07/531023507.db2.gz HHOCAOJDLUHIDY-PWSUYJOCSA-N 0 3 379.841 0.237 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)ccc1Cl ZINC000627258223 531026908 /nfs/dbraw/zinc/02/69/08/531026908.db2.gz WWSGTQANTBNXFO-OLZOCXBDSA-N 0 3 387.889 0.993 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)ccc1Cl ZINC000627258224 531027098 /nfs/dbraw/zinc/02/70/98/531027098.db2.gz WWSGTQANTBNXFO-QWHCGFSZSA-N 0 3 387.889 0.993 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662952526 531028910 /nfs/dbraw/zinc/02/89/10/531028910.db2.gz HADICNONOWHBFB-LBPRGKRZSA-N 0 3 383.290 0.903 20 0 GCADHN CCCCN(C)CCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000124976256 531029152 /nfs/dbraw/zinc/02/91/52/531029152.db2.gz DJKGQERSPHJNGN-UHFFFAOYSA-N 0 3 387.278 0.934 20 0 GCADHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)NC2CC=CC2)ccn1 ZINC000348386267 531030381 /nfs/dbraw/zinc/03/03/81/531030381.db2.gz OEQXASUYUQXBFH-UHFFFAOYSA-N 0 3 388.515 0.917 20 0 GCADHN CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CC=CC2)cc[nH+]1 ZINC000348386267 531030385 /nfs/dbraw/zinc/03/03/85/531030385.db2.gz OEQXASUYUQXBFH-UHFFFAOYSA-N 0 3 388.515 0.917 20 0 GCADHN CC(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncc(Cl)s1 ZINC000663247911 531030923 /nfs/dbraw/zinc/03/09/23/531030923.db2.gz ZHXZTEZDBWVPAF-JGVFFNPUSA-N 0 3 386.904 0.604 20 0 GCADHN CN1CCN(CCCCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000106267266 531033502 /nfs/dbraw/zinc/03/35/02/531033502.db2.gz MNBGHADNRUYKHX-UHFFFAOYSA-N 0 3 389.543 0.396 20 0 GCADHN COCCNCCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000262685109 530998828 /nfs/dbraw/zinc/99/88/28/530998828.db2.gz YCJLKJXQBATDSF-UHFFFAOYSA-N 0 3 375.516 0.889 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC1 ZINC000659947617 530998887 /nfs/dbraw/zinc/99/88/87/530998887.db2.gz OPMPBNDWHUYOAH-SJORKVTESA-N 0 3 377.551 0.516 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C[NH3+] ZINC000262759061 531061487 /nfs/dbraw/zinc/06/14/87/531061487.db2.gz IUVUNXKCAPLWBI-OLZOCXBDSA-N 0 3 375.516 0.733 20 0 GCADHN CN1CCC[C@@H](CNC(=O)CN2CCS(=O)(=O)CC2)[C@@H]1c1cccs1 ZINC000130022527 531062744 /nfs/dbraw/zinc/06/27/44/531062744.db2.gz OKKJTZXXOGKIBC-WMLDXEAASA-N 0 3 385.555 0.978 20 0 GCADHN COCCNCCNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000262759894 531062827 /nfs/dbraw/zinc/06/28/27/531062827.db2.gz JCGIOSGBIVVWOU-UHFFFAOYSA-N 0 3 383.392 0.493 20 0 GCADHN CC(C)N(CCCNC(=O)CN[C@H](CO)C1CCCCC1)S(C)(=O)=O ZINC000541981775 531062846 /nfs/dbraw/zinc/06/28/46/531062846.db2.gz DFGQTYVXZIJVFM-MRXNPFEDSA-N 0 3 377.551 0.694 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000262762114 531063385 /nfs/dbraw/zinc/06/33/85/531063385.db2.gz GIEWNQJMBZIBRF-RYUDHWBXSA-N 0 3 395.572 0.649 20 0 GCADHN COC(=O)c1cc(F)cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)c1 ZINC000542048942 531063583 /nfs/dbraw/zinc/06/35/83/531063583.db2.gz JWLPSEPJDVVYAZ-UHFFFAOYSA-N 0 3 375.466 0.726 20 0 GCADHN COC[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000542522522 531066801 /nfs/dbraw/zinc/06/68/01/531066801.db2.gz VMKKPFCVEQTMJJ-PMPSAXMXSA-N 0 3 376.519 0.442 20 0 GCADHN CCS(=O)(=O)N1CCC(CNC(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000542547307 531066919 /nfs/dbraw/zinc/06/69/19/531066919.db2.gz DHINCCIRMLSXLW-OAHLLOKOSA-N 0 3 376.523 0.068 20 0 GCADHN O=C(CNC(=O)[C@H]1CN2CCN1CCC2)Nc1cccc(Br)c1 ZINC000538700308 531035624 /nfs/dbraw/zinc/03/56/24/531035624.db2.gz FJMZNTAXJHYAAP-CQSZACIVSA-N 0 3 381.274 0.894 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000663641254 531036268 /nfs/dbraw/zinc/03/62/68/531036268.db2.gz KELBCZZZZZFLGJ-OAHLLOKOSA-N 0 3 375.539 0.431 20 0 GCADHN C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)N(C)C1CC1 ZINC000057714053 531037203 /nfs/dbraw/zinc/03/72/03/531037203.db2.gz SRELXPNHEBCHLB-LBPRGKRZSA-N 0 3 387.527 0.982 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cn3)C[C@H]2N)cn1 ZINC000424445659 531037605 /nfs/dbraw/zinc/03/76/05/531037605.db2.gz GKBUGXZHWBGBGM-NWDGAFQWSA-N 0 3 393.245 0.469 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)C1CC1 ZINC000539159340 531039268 /nfs/dbraw/zinc/03/92/68/531039268.db2.gz DCDFACXFOHAQCT-GFCCVEGCSA-N 0 3 385.262 0.543 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C)s1 ZINC000536892043 531041162 /nfs/dbraw/zinc/04/11/62/531041162.db2.gz BJOVZBDURRQHAB-LBPRGKRZSA-N 0 3 397.588 0.848 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000664408155 531041919 /nfs/dbraw/zinc/04/19/19/531041919.db2.gz MBPCTGMOYPHADP-OAHLLOKOSA-N 0 3 375.539 0.431 20 0 GCADHN CS[C@H]1CN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@@H]1N(C)C ZINC000539492516 531042269 /nfs/dbraw/zinc/04/22/69/531042269.db2.gz ZRALGGPQMJDWPP-GJZGRUSLSA-N 0 3 394.607 0.140 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)CCCN2CCCC2)cc1 ZINC000631707608 531044059 /nfs/dbraw/zinc/04/40/59/531044059.db2.gz WRXSYIJFAXUAHJ-UHFFFAOYSA-N 0 3 389.543 0.679 20 0 GCADHN CN(C)CCn1ccc(NC(=O)c2nc3ncc(Br)cn3n2)n1 ZINC000119992267 531044862 /nfs/dbraw/zinc/04/48/62/531044862.db2.gz VNQITHDSPGSABT-UHFFFAOYSA-N 0 3 379.222 0.897 20 0 GCADHN CN(C)CCN(CC1CCCCC1)C(=O)NCCNS(=O)(=O)N(C)C ZINC000665015266 531047442 /nfs/dbraw/zinc/04/74/42/531047442.db2.gz VSLWIFLTHDDUTN-UHFFFAOYSA-N 0 3 377.555 0.536 20 0 GCADHN C[C@@]1(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC[NH2+]C1 ZINC000612907433 531049315 /nfs/dbraw/zinc/04/93/15/531049315.db2.gz SKBUTYQTGRWBSA-CQSZACIVSA-N 0 3 378.857 0.809 20 0 GCADHN CN(C)CCn1ccc(NC(=O)C(=O)Nc2nc(C(F)(F)F)cs2)n1 ZINC000564476638 531052114 /nfs/dbraw/zinc/05/21/14/531052114.db2.gz ULSCURMZVUEFMX-UHFFFAOYSA-N 0 3 376.364 1.497 20 0 GCADHN C[C@H](NC(=O)NCCS(=O)(=O)N1CCSCC1)C1=CCN(C)CC1 ZINC000540965153 531053586 /nfs/dbraw/zinc/05/35/86/531053586.db2.gz SJRGVHBLOCRKMX-ZDUSSCGKSA-N 0 3 376.548 0.315 20 0 GCADHN C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000262722260 531055192 /nfs/dbraw/zinc/05/51/92/531055192.db2.gz GAJFJOUTIJTIEE-IUCAKERBSA-N 0 3 396.332 0.903 20 0 GCADHN CN1CCC(n2ccc(NC(=O)C(=O)NC[C@H]3CSCCS3)n2)CC1 ZINC000377578722 531055195 /nfs/dbraw/zinc/05/51/95/531055195.db2.gz ATEUYHBCMRUNGG-ZDUSSCGKSA-N 0 3 383.543 1.053 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000262729593 531056920 /nfs/dbraw/zinc/05/69/20/531056920.db2.gz BBUXPIWHYHKINT-ZDUSSCGKSA-N 0 3 388.515 0.219 20 0 GCADHN N[C@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000262728942 531056991 /nfs/dbraw/zinc/05/69/91/531056991.db2.gz CKXLEQSCDRAQMT-MRXNPFEDSA-N 0 3 383.495 0.584 20 0 GCADHN COCCNCCNS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000262736727 531057862 /nfs/dbraw/zinc/05/78/62/531057862.db2.gz AMSYJOVRLTWFPB-UHFFFAOYSA-N 0 3 395.275 0.735 20 0 GCADHN C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000262733845 531057936 /nfs/dbraw/zinc/05/79/36/531057936.db2.gz FKAOQAIQEDQABT-VIFPVBQESA-N 0 3 389.421 0.495 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@@H]1CCC[NH2+]C1 ZINC000262748253 531059799 /nfs/dbraw/zinc/05/97/99/531059799.db2.gz FMLSLGWOTUTKOA-ZDUSSCGKSA-N 0 3 375.516 0.605 20 0 GCADHN CC(C)[C@H](C(=O)NC[C@H](O)CN1CCC(C)CC1)N1CCCS1(=O)=O ZINC000541786857 531060242 /nfs/dbraw/zinc/06/02/42/531060242.db2.gz JIRDIESVDDYASV-JKSUJKDBSA-N 0 3 375.535 0.256 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1F ZINC000262755108 531060460 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CC[C@H](NCC(=O)N1CCNCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000643500494 531086169 /nfs/dbraw/zinc/08/61/69/531086169.db2.gz RUEFZAXWJAFLDR-AWEZNQCLSA-N 0 3 388.921 0.721 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000515162747 531086681 /nfs/dbraw/zinc/08/66/81/531086681.db2.gz NTRQXTOTKVNFMY-MNOVXSKESA-N 0 3 386.392 0.943 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(C)S(C)(=O)=O)s1 ZINC000515286569 531087456 /nfs/dbraw/zinc/08/74/56/531087456.db2.gz PDBUXZVQBOZCGH-JTQLQIEISA-N 0 3 382.529 0.828 20 0 GCADHN CC(C(=O)NCC(F)(F)F)S(=O)(=O)Cc1cc(=O)n2ccccc2n1 ZINC000515262901 531087537 /nfs/dbraw/zinc/08/75/37/531087537.db2.gz GIFRLQUZDIVMHH-SECBINFHSA-N 0 3 377.344 0.676 20 0 GCADHN CC[NH+](CC)CC[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000515310208 531087599 /nfs/dbraw/zinc/08/75/99/531087599.db2.gz QADLTBNHDBIRRG-CYBMUJFWSA-N 0 3 375.466 0.313 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545863561 531087946 /nfs/dbraw/zinc/08/79/46/531087946.db2.gz GTWBDALLDOPOMY-OTYXRUKQSA-N 0 3 390.303 0.812 20 0 GCADHN CN1CC[C@](O)(CNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000545861805 531088254 /nfs/dbraw/zinc/08/82/54/531088254.db2.gz DXCKIYWONNYOEX-AWEZNQCLSA-N 0 3 384.234 0.478 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Cl ZINC000515435176 531089472 /nfs/dbraw/zinc/08/94/72/531089472.db2.gz ZDWFHWQUDLEMSA-ZWNOBZJWSA-N 0 3 386.861 0.231 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000515656491 531090813 /nfs/dbraw/zinc/09/08/13/531090813.db2.gz GVLGPEPHFHRHMG-OAHLLOKOSA-N 0 3 376.523 0.209 20 0 GCADHN C[C@@H](CO)N1CCCN(C(=O)Nc2nnc3ccc(Br)cn32)CC1 ZINC000455769522 531090981 /nfs/dbraw/zinc/09/09/81/531090981.db2.gz ZLLZYXDIOAYQKU-NSHDSACASA-N 0 3 397.277 1.412 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000516085251 531093127 /nfs/dbraw/zinc/09/31/27/531093127.db2.gz IQLJAZRTYSBZLR-GFCCVEGCSA-N 0 3 388.921 0.743 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCc3ccc(Br)cc3)CCN2C1=O ZINC000516091667 531094116 /nfs/dbraw/zinc/09/41/16/531094116.db2.gz QWUSIVLJDKULHN-UONOGXRCSA-N 0 3 381.274 0.945 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@]2(O)CCN(C)C2)s1 ZINC000547275062 531096168 /nfs/dbraw/zinc/09/61/68/531096168.db2.gz XBOPURMKIOXUKX-XJKSGUPXSA-N 0 3 387.527 0.392 20 0 GCADHN O=S(=O)(CCNC[C@@H](O)COc1ccc(F)cc1)N1CCSCC1 ZINC000564319660 531097547 /nfs/dbraw/zinc/09/75/47/531097547.db2.gz KGYBPPWFNCHWPK-CQSZACIVSA-N 0 3 378.491 0.534 20 0 GCADHN CS(=O)(=O)N1CCN(CCNCc2cccc3c2OC(F)(F)O3)CC1 ZINC000666256902 531099799 /nfs/dbraw/zinc/09/97/99/531099799.db2.gz IJFFZIZSJFASPT-UHFFFAOYSA-N 0 3 377.413 0.675 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000666754827 531102745 /nfs/dbraw/zinc/10/27/45/531102745.db2.gz VELLBDBVYFPRBC-AWEZNQCLSA-N 0 3 375.539 0.335 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCCOc1cccc(S(C)(=O)=O)c1 ZINC000429714838 531109114 /nfs/dbraw/zinc/10/91/14/531109114.db2.gz HIXFWKZORHOFHU-HOTGVXAUSA-N 0 3 390.527 0.919 20 0 GCADHN O=C(C[C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000429750280 531109154 /nfs/dbraw/zinc/10/91/54/531109154.db2.gz NBCCQIAPIMKHTJ-CQSZACIVSA-N 0 3 387.889 0.551 20 0 GCADHN CC(C)(CCS(=O)(=O)N1CCN(c2ccncc2)CC1)S(C)(=O)=O ZINC000668096933 531109200 /nfs/dbraw/zinc/10/92/00/531109200.db2.gz JKMOGDBJDNGSEE-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CC(C)(C)[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000429676334 531109217 /nfs/dbraw/zinc/10/92/17/531109217.db2.gz QJPDSLRINIRFDT-CYBMUJFWSA-N 0 3 375.516 0.759 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)C(F)(F)F ZINC000672426758 531112631 /nfs/dbraw/zinc/11/26/31/531112631.db2.gz MDYCQBXGXMSFEG-NEPJUHHUSA-N 0 3 386.440 0.592 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000672697061 531113955 /nfs/dbraw/zinc/11/39/55/531113955.db2.gz MAWUQOQJHJSXNK-GFCCVEGCSA-N 0 3 387.527 0.758 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000263258017 531114492 /nfs/dbraw/zinc/11/44/92/531114492.db2.gz RLOLNXRTXHKZCU-LBPRGKRZSA-N 0 3 383.250 0.436 20 0 GCADHN CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1nc2cc(Br)cnc2[n-]1 ZINC000263258017 531114496 /nfs/dbraw/zinc/11/44/96/531114496.db2.gz RLOLNXRTXHKZCU-LBPRGKRZSA-N 0 3 383.250 0.436 20 0 GCADHN COC(=O)C(C)(C)CS(=O)(=O)NCC(=O)NCCN1CCCCCC1 ZINC000431594392 531117079 /nfs/dbraw/zinc/11/70/79/531117079.db2.gz DHXILJFKCJPRKR-UHFFFAOYSA-N 0 3 377.507 0.097 20 0 GCADHN Cc1c(C(=O)N[C@H](CO)CN(C)C)nnn1-c1cccc(Br)c1 ZINC000673519552 531117481 /nfs/dbraw/zinc/11/74/81/531117481.db2.gz ABQMSKRNOKPWFZ-LBPRGKRZSA-N 0 3 382.262 0.991 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CN(C)C)s1 ZINC000673520003 531117532 /nfs/dbraw/zinc/11/75/32/531117532.db2.gz DZGRBFPQPFOGFZ-OLZOCXBDSA-N 0 3 375.516 0.248 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000673519786 531117579 /nfs/dbraw/zinc/11/75/79/531117579.db2.gz GJCMKOUOCCTOGB-LLVKDONJSA-N 0 3 383.392 0.022 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000673523508 531118133 /nfs/dbraw/zinc/11/81/33/531118133.db2.gz TZHYVFRXFPNPTL-GFCCVEGCSA-N 0 3 397.273 0.588 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000432388341 531123515 /nfs/dbraw/zinc/12/35/15/531123515.db2.gz QJSDBCUFWFTHOH-CQSZACIVSA-N 0 3 376.523 0.163 20 0 GCADHN COC1CCN(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000674325402 531125242 /nfs/dbraw/zinc/12/52/42/531125242.db2.gz YMHAMFMVZFTIST-GFCCVEGCSA-N 0 3 375.516 0.642 20 0 GCADHN COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432861998 531126058 /nfs/dbraw/zinc/12/60/58/531126058.db2.gz CYQWXDUHINWAQB-OAHLLOKOSA-N 0 3 390.527 0.572 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C[C@H](C)O1 ZINC000433095341 531127144 /nfs/dbraw/zinc/12/71/44/531127144.db2.gz XSGRGOFYADRKBB-QLFBSQMISA-N 0 3 377.551 0.956 20 0 GCADHN C[C@H]1CN(CCCNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CCCO1 ZINC000433337070 531128049 /nfs/dbraw/zinc/12/80/49/531128049.db2.gz XSEINPJXEWZIMX-GJZGRUSLSA-N 0 3 376.523 0.211 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@H](O)C12CCCC2)S(C)(=O)=O ZINC000433303134 531128115 /nfs/dbraw/zinc/12/81/15/531128115.db2.gz ZOHZQRZBMBPKGH-HNNXBMFYSA-N 0 3 375.535 0.542 20 0 GCADHN C[C@H]1CN(CCCNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CCCO1 ZINC000433400761 531129582 /nfs/dbraw/zinc/12/95/82/531129582.db2.gz UWGGUPODYZBFNI-GJZGRUSLSA-N 0 3 376.523 0.068 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000675187433 531130299 /nfs/dbraw/zinc/13/02/99/531130299.db2.gz UCNQLILJIKFISA-AWEZNQCLSA-N 0 3 378.564 0.539 20 0 GCADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433460806 531130487 /nfs/dbraw/zinc/13/04/87/531130487.db2.gz BYVLBAHSWMQSNQ-HUUCEWRRSA-N 0 3 376.523 0.211 20 0 GCADHN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CCN1C ZINC000433660494 531131014 /nfs/dbraw/zinc/13/10/14/531131014.db2.gz PVVBDDQZGIBRPM-GHMZBOCLSA-N 0 3 379.479 0.958 20 0 GCADHN COCCN1CCC(NC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000138573744 531131500 /nfs/dbraw/zinc/13/15/00/531131500.db2.gz RJODZHHEFULIJF-UHFFFAOYSA-N 0 3 388.262 0.999 20 0 GCADHN Cc1c(Br)cc(C(=O)N2CCN(CCN(C)C)CC2)c(=O)n1C ZINC000433817336 531131899 /nfs/dbraw/zinc/13/18/99/531131899.db2.gz FIELMEYTUUFABS-UHFFFAOYSA-N 0 3 385.306 0.776 20 0 GCADHN C[C@@H](NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000675819749 531132947 /nfs/dbraw/zinc/13/29/47/531132947.db2.gz SAEXWWYLWHFSGX-CQSZACIVSA-N 0 3 389.543 0.318 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000550663761 531133093 /nfs/dbraw/zinc/13/30/93/531133093.db2.gz LRKGNBZSJVMIBM-GFCCVEGCSA-N 0 3 387.527 0.616 20 0 GCADHN CS(=O)(=O)N1CCC[C@@H](N[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000551015064 531134726 /nfs/dbraw/zinc/13/47/26/531134726.db2.gz UPXFPQKZBVBSBV-CZUORRHYSA-N 0 3 387.527 0.725 20 0 GCADHN C[C@@H]1NCCN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)[C@H]1C ZINC000436048093 531144513 /nfs/dbraw/zinc/14/45/13/531144513.db2.gz JJBHVBZNRDAZFZ-KKUMJFAQSA-N 0 3 385.555 0.946 20 0 GCADHN NS(=O)(=O)c1ccsc1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000615237345 531145718 /nfs/dbraw/zinc/14/57/18/531145718.db2.gz DNNDKZAKOVEQBL-UHFFFAOYSA-N 0 3 388.515 0.118 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(Br)cn2)CC1=O ZINC000552103261 531141658 /nfs/dbraw/zinc/14/16/58/531141658.db2.gz KFTWBERJQLDLGN-ZDUSSCGKSA-N 0 3 399.289 0.753 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2coc(Br)c2)CC1=O ZINC000552106901 531142295 /nfs/dbraw/zinc/14/22/95/531142295.db2.gz UTOWBQVPTPVYPW-GFCCVEGCSA-N 0 3 388.262 0.951 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553967961 531158804 /nfs/dbraw/zinc/15/88/04/531158804.db2.gz GCYXDZZDYZXGMI-ADEWGFFLSA-N 0 3 386.440 0.591 20 0 GCADHN CN(CCCN[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)S(C)(=O)=O ZINC000680036749 531159023 /nfs/dbraw/zinc/15/90/23/531159023.db2.gz JVYKZDJTZFQSKF-ZDUSSCGKSA-N 0 3 381.420 0.973 20 0 GCADHN CCCN(CC)CCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000554649729 531163798 /nfs/dbraw/zinc/16/37/98/531163798.db2.gz JDSKRNZMLYFZGA-UHFFFAOYSA-N 0 3 375.516 0.616 20 0 GCADHN COCCOCCOCCS(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000554893764 531165619 /nfs/dbraw/zinc/16/56/19/531165619.db2.gz QBIDINNIDQWCTK-UHFFFAOYSA-N 0 3 378.535 0.946 20 0 GCADHN CN(C)[C@]1(CNC(=O)CNS(=O)(=O)c2cccc(F)c2)CCSC1 ZINC000555055170 531166794 /nfs/dbraw/zinc/16/67/94/531166794.db2.gz MBWCSMBZDOGKKU-HNNXBMFYSA-N 0 3 375.491 0.658 20 0 GCADHN Cc1ccc(CS(=O)(=O)C(C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC000629325813 531166067 /nfs/dbraw/zinc/16/60/67/531166067.db2.gz OPBPOWRRBRQSBI-AAEUAGOBSA-N 0 3 377.459 0.741 20 0 GCADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000682256430 531171305 /nfs/dbraw/zinc/17/13/05/531171305.db2.gz CKRNCECMDFXMPI-HUUCEWRRSA-N 0 3 375.516 0.367 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H](CO)C(C)(C)C ZINC000440494970 531173862 /nfs/dbraw/zinc/17/38/62/531173862.db2.gz KCUZLZKYQWMXRZ-HNNXBMFYSA-N 0 3 392.543 0.707 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556210318 531173903 /nfs/dbraw/zinc/17/39/03/531173903.db2.gz ZLDQNZLHANGQSQ-IAAFNJHLSA-N 0 3 389.587 0.736 20 0 GCADHN C[C@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H]1CCOC1 ZINC000440510313 531173955 /nfs/dbraw/zinc/17/39/55/531173955.db2.gz QKDSSMZVSPXVFF-KBPBESRZSA-N 0 3 390.527 0.725 20 0 GCADHN CN(Cc1cc(Br)cs1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000564827197 531176647 /nfs/dbraw/zinc/17/66/47/531176647.db2.gz FGIBAPQDTOWJFE-NSHDSACASA-N 0 3 389.319 0.570 20 0 GCADHN O=C(CNC[C@H](O)COc1cc(F)cc(Br)c1)N1CCOCC1 ZINC000564851994 531177046 /nfs/dbraw/zinc/17/70/46/531177046.db2.gz ULATYOGVVZGCAX-ZDUSSCGKSA-N 0 3 391.237 0.776 20 0 GCADHN COc1ccc([C@@H]2CCNC[C@@H]2NS(=O)(=O)CCCS(C)(=O)=O)cc1 ZINC000440855630 531177946 /nfs/dbraw/zinc/17/79/46/531177946.db2.gz GFGSHYIHGPSQLL-HOTGVXAUSA-N 0 3 390.527 0.495 20 0 GCADHN CCN(C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H](C)CS(=O)(=O)CC ZINC000440980720 531178960 /nfs/dbraw/zinc/17/89/60/531178960.db2.gz FGQVJUTXTLCLKD-OAHLLOKOSA-N 0 3 376.567 0.867 20 0 GCADHN CCN(CC)CCN(C(=O)CNC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000564994533 531178230 /nfs/dbraw/zinc/17/82/30/531178230.db2.gz CFIPAWBMUQIODT-HOTGVXAUSA-N 0 3 375.535 0.113 20 0 GCADHN C[NH+]1CCC(NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000441167517 531179770 /nfs/dbraw/zinc/17/97/70/531179770.db2.gz LSXKNSOJPFCMLJ-UHFFFAOYSA-N 0 3 376.429 0.637 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCCCn3cc(Br)cn3)CCN2C1=O ZINC000565250804 531183169 /nfs/dbraw/zinc/18/31/69/531183169.db2.gz QPYJSTWFCMTKTF-OLZOCXBDSA-N 0 3 399.293 0.379 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000441579022 531182331 /nfs/dbraw/zinc/18/23/31/531182331.db2.gz GVPGAKOSONYEJQ-MRVPVSSYSA-N 0 3 380.189 0.705 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCCCn3cc(Br)cn3)CCN2C1=O ZINC000565250806 531183393 /nfs/dbraw/zinc/18/33/93/531183393.db2.gz QPYJSTWFCMTKTF-STQMWFEESA-N 0 3 399.293 0.379 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccc(O)c(Br)c3)CCN2C1=O ZINC000565252576 531183732 /nfs/dbraw/zinc/18/37/32/531183732.db2.gz DLTPJYJXYVYFFD-PWSUYJOCSA-N 0 3 383.246 0.608 20 0 GCADHN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1Cl ZINC000565428510 531185820 /nfs/dbraw/zinc/18/58/20/531185820.db2.gz OYSFOTODRVWDOZ-SNVBAGLBSA-N 0 3 378.857 0.701 20 0 GCADHN COc1ccc(Br)c(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000565669538 531188495 /nfs/dbraw/zinc/18/84/95/531188495.db2.gz FPOVQMYMGBPRNK-FZMZJTMJSA-N 0 3 397.273 0.911 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000153421957 531190737 /nfs/dbraw/zinc/19/07/37/531190737.db2.gz QKHMFZPFYBALEE-CQSZACIVSA-N 0 3 376.251 0.543 20 0 GCADHN Cc1nc(NC2CCN(CCC(=O)N(C)C)CC2)sc1S(N)(=O)=O ZINC000565821711 531190847 /nfs/dbraw/zinc/19/08/47/531190847.db2.gz KDOZZHQMBDKBIF-UHFFFAOYSA-N 0 3 375.520 0.454 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000264600215 531192421 /nfs/dbraw/zinc/19/24/21/531192421.db2.gz DRIBOCWYCVHIGK-CYBMUJFWSA-N 0 3 375.516 0.652 20 0 GCADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC2CC[NH2+]CC2)c1OC ZINC000565951166 531192524 /nfs/dbraw/zinc/19/25/24/531192524.db2.gz PWWCDAIFMMZQBT-UHFFFAOYSA-N 0 3 375.878 0.986 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566198972 531195561 /nfs/dbraw/zinc/19/55/61/531195561.db2.gz KNXVYLLMHGCWIZ-MNOVXSKESA-N 0 3 385.262 0.560 20 0 GCADHN C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000443051948 531196130 /nfs/dbraw/zinc/19/61/30/531196130.db2.gz TVGBYXFYCQGSQC-UHFFFAOYSA-N 0 3 375.516 0.557 20 0 GCADHN COCCN(C)C[C@@H](O)CN(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000566417786 531197759 /nfs/dbraw/zinc/19/77/59/531197759.db2.gz YKIPXGTWAMCXGF-HUUCEWRRSA-N 0 3 388.306 0.846 20 0 GCADHN CN(C)C[C@H]1CN(S(=O)(=O)CCCN2CCOCC2)c2ccccc2O1 ZINC000359879867 209199364 /nfs/dbraw/zinc/19/93/64/209199364.db2.gz ZMOSQLRRWVTHBX-INIZCTEOSA-N 0 3 383.514 0.868 20 0 GCADHN Cn1c(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)nc2c1cccc2F ZINC000737593410 598839166 /nfs/dbraw/zinc/83/91/66/598839166.db2.gz SQCIYNBQQDKISX-NSHDSACASA-N 0 3 396.434 0.963 20 0 GCADHN Cn1c(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)nc2c1cccc2F ZINC000737593410 598839167 /nfs/dbraw/zinc/83/91/67/598839167.db2.gz SQCIYNBQQDKISX-NSHDSACASA-N 0 3 396.434 0.963 20 0 GCADHN C[C@@H](Cn1cccn1)[NH2+]CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736079116 598841295 /nfs/dbraw/zinc/84/12/95/598841295.db2.gz NDQVIQQVPOCMKA-ZDUSSCGKSA-N 0 3 392.427 0.866 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000736706456 598841384 /nfs/dbraw/zinc/84/13/84/598841384.db2.gz SREOKAJSJGVHCY-UKRRQHHQSA-N 0 3 393.455 0.731 20 0 GCADHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000737488906 598841635 /nfs/dbraw/zinc/84/16/35/598841635.db2.gz AKXWWXGJQWLFDI-DZGCQCFKSA-N 0 3 379.428 0.477 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000737289168 598882240 /nfs/dbraw/zinc/88/22/40/598882240.db2.gz PDMNNTUURABGNF-UHFFFAOYSA-N 0 3 387.444 0.341 20 0 GCADHN C[C@](O)(C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(F)cc1F ZINC000736143572 598920321 /nfs/dbraw/zinc/92/03/21/598920321.db2.gz UHDDBEBGOFVODR-QGHHPUGFSA-N 0 3 390.398 0.880 20 0 GCADHN C[C@](O)(C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(F)cc1F ZINC000736143572 598920323 /nfs/dbraw/zinc/92/03/23/598920323.db2.gz UHDDBEBGOFVODR-QGHHPUGFSA-N 0 3 390.398 0.880 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000737221841 598950358 /nfs/dbraw/zinc/95/03/58/598950358.db2.gz SMRYSLPFLGFOGO-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000737221841 598950360 /nfs/dbraw/zinc/95/03/60/598950360.db2.gz SMRYSLPFLGFOGO-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000737221841 598950362 /nfs/dbraw/zinc/95/03/62/598950362.db2.gz SMRYSLPFLGFOGO-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000737221841 598950364 /nfs/dbraw/zinc/95/03/64/598950364.db2.gz SMRYSLPFLGFOGO-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738065873 599026893 /nfs/dbraw/zinc/02/68/93/599026893.db2.gz LLVIKWQFYRJIJL-UHFFFAOYSA-N 0 3 393.455 0.599 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000735560250 599078901 /nfs/dbraw/zinc/07/89/01/599078901.db2.gz CQOBQQSLKFQVCU-HOTGVXAUSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560250 599078905 /nfs/dbraw/zinc/07/89/05/599078905.db2.gz CQOBQQSLKFQVCU-HOTGVXAUSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000735560250 599078907 /nfs/dbraw/zinc/07/89/07/599078907.db2.gz CQOBQQSLKFQVCU-HOTGVXAUSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560250 599078911 /nfs/dbraw/zinc/07/89/11/599078911.db2.gz CQOBQQSLKFQVCU-HOTGVXAUSA-N 0 3 398.515 0.906 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)C1 ZINC000736856685 599079527 /nfs/dbraw/zinc/07/95/27/599079527.db2.gz LRPZNWJHQRGLHN-ZDUSSCGKSA-N 0 3 390.517 0.579 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)C1 ZINC000736856685 599079530 /nfs/dbraw/zinc/07/95/30/599079530.db2.gz LRPZNWJHQRGLHN-ZDUSSCGKSA-N 0 3 390.517 0.579 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)C1 ZINC000736856685 599079533 /nfs/dbraw/zinc/07/95/33/599079533.db2.gz LRPZNWJHQRGLHN-ZDUSSCGKSA-N 0 3 390.517 0.579 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)C1 ZINC000736856685 599079536 /nfs/dbraw/zinc/07/95/36/599079536.db2.gz LRPZNWJHQRGLHN-ZDUSSCGKSA-N 0 3 390.517 0.579 20 0 GCADHN C[N@H+](CCCO)C1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736800566 599080551 /nfs/dbraw/zinc/08/05/51/599080551.db2.gz MXQPHJWVRMVPDO-QGZVFWFLSA-N 0 3 390.488 0.385 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736800566 599080554 /nfs/dbraw/zinc/08/05/54/599080554.db2.gz MXQPHJWVRMVPDO-QGZVFWFLSA-N 0 3 390.488 0.385 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736857624 599083125 /nfs/dbraw/zinc/08/31/25/599083125.db2.gz PCMDPIUXWSLNOX-HNNXBMFYSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736857624 599083128 /nfs/dbraw/zinc/08/31/28/599083128.db2.gz PCMDPIUXWSLNOX-HNNXBMFYSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736857624 599083130 /nfs/dbraw/zinc/08/31/30/599083130.db2.gz PCMDPIUXWSLNOX-HNNXBMFYSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736857624 599083132 /nfs/dbraw/zinc/08/31/32/599083132.db2.gz PCMDPIUXWSLNOX-HNNXBMFYSA-N 0 3 391.501 0.267 20 0 GCADHN Cc1c(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)cccc1-c1nn[n-]n1 ZINC000822053271 607276222 /nfs/dbraw/zinc/27/62/22/607276222.db2.gz LKMSHPNIRWZQJZ-UHFFFAOYSA-N 0 3 387.444 0.341 20 0 GCADHN C[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)CC(C)(CO)CO ZINC000821597624 607311522 /nfs/dbraw/zinc/31/15/22/607311522.db2.gz BFIHSFRDGWUKSU-UHFFFAOYSA-N 0 3 394.501 0.668 20 0 GCADHN C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)CC(C)(CO)CO ZINC000821597624 607311523 /nfs/dbraw/zinc/31/15/23/607311523.db2.gz BFIHSFRDGWUKSU-UHFFFAOYSA-N 0 3 394.501 0.668 20 0 GCADHN C[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)CC(C)(CO)CO ZINC000821597624 607311524 /nfs/dbraw/zinc/31/15/24/607311524.db2.gz BFIHSFRDGWUKSU-UHFFFAOYSA-N 0 3 394.501 0.668 20 0 GCADHN C[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)CC(C)(CO)CO ZINC000821597624 607311525 /nfs/dbraw/zinc/31/15/25/607311525.db2.gz BFIHSFRDGWUKSU-UHFFFAOYSA-N 0 3 394.501 0.668 20 0 GCADHN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCCN1CCCC1 ZINC000735904933 599281829 /nfs/dbraw/zinc/28/18/29/599281829.db2.gz WYDMMGQCMCEXQF-UHFFFAOYSA-N 0 3 387.444 0.804 20 0 GCADHN C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC1 ZINC000736761040 599282885 /nfs/dbraw/zinc/28/28/85/599282885.db2.gz SYGLNYLTLWVOIM-CYBMUJFWSA-N 0 3 377.836 0.915 20 0 GCADHN C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC1 ZINC000736761040 599282888 /nfs/dbraw/zinc/28/28/88/599282888.db2.gz SYGLNYLTLWVOIM-CYBMUJFWSA-N 0 3 377.836 0.915 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000736637614 599283068 /nfs/dbraw/zinc/28/30/68/599283068.db2.gz WXNFLPPDENGKTB-UHFFFAOYSA-N 0 3 375.433 0.660 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000736637614 599283071 /nfs/dbraw/zinc/28/30/71/599283071.db2.gz WXNFLPPDENGKTB-UHFFFAOYSA-N 0 3 375.433 0.660 20 0 GCADHN CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)CC1 ZINC000820127632 607325398 /nfs/dbraw/zinc/32/53/98/607325398.db2.gz KNCGWJZDYHAGIO-UHFFFAOYSA-N 0 3 386.504 0.836 20 0 GCADHN CC(C)[NH+]1CCC(N2CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)CC1 ZINC000820127632 607325399 /nfs/dbraw/zinc/32/53/99/607325399.db2.gz KNCGWJZDYHAGIO-UHFFFAOYSA-N 0 3 386.504 0.836 20 0 GCADHN C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000821587390 607344183 /nfs/dbraw/zinc/34/41/83/607344183.db2.gz VFKBHKMSCNOAAB-UHFFFAOYSA-N 0 3 387.379 0.341 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737746923 598255770 /nfs/dbraw/zinc/25/57/70/598255770.db2.gz UJSDMRRBRXPNSO-OAHLLOKOSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737746923 598255771 /nfs/dbraw/zinc/25/57/71/598255771.db2.gz UJSDMRRBRXPNSO-OAHLLOKOSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737746923 598255773 /nfs/dbraw/zinc/25/57/73/598255773.db2.gz UJSDMRRBRXPNSO-OAHLLOKOSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737746923 598255776 /nfs/dbraw/zinc/25/57/76/598255776.db2.gz UJSDMRRBRXPNSO-OAHLLOKOSA-N 0 3 386.460 0.253 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000738040113 598260872 /nfs/dbraw/zinc/26/08/72/598260872.db2.gz SSTHTPDMGNLGGG-INIZCTEOSA-N 0 3 383.456 0.683 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000738040113 598260873 /nfs/dbraw/zinc/26/08/73/598260873.db2.gz SSTHTPDMGNLGGG-INIZCTEOSA-N 0 3 383.456 0.683 20 0 GCADHN O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000738074647 598269008 /nfs/dbraw/zinc/26/90/08/598269008.db2.gz LKOKJPCEHYBQCP-HNNXBMFYSA-N 0 3 385.476 0.943 20 0 GCADHN O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000738074647 598269009 /nfs/dbraw/zinc/26/90/09/598269009.db2.gz LKOKJPCEHYBQCP-HNNXBMFYSA-N 0 3 385.476 0.943 20 0 GCADHN C[NH+](C)[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736755584 598271564 /nfs/dbraw/zinc/27/15/64/598271564.db2.gz AEOQVXUMMBZQPX-MRXNPFEDSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736755584 598271565 /nfs/dbraw/zinc/27/15/65/598271565.db2.gz AEOQVXUMMBZQPX-MRXNPFEDSA-N 0 3 399.503 0.966 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736143077 598348491 /nfs/dbraw/zinc/34/84/91/598348491.db2.gz ICPVKSUPJKXOBK-LLVKDONJSA-N 0 3 379.490 0.644 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736143077 598348493 /nfs/dbraw/zinc/34/84/93/598348493.db2.gz ICPVKSUPJKXOBK-LLVKDONJSA-N 0 3 379.490 0.644 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000736143077 598348495 /nfs/dbraw/zinc/34/84/95/598348495.db2.gz ICPVKSUPJKXOBK-LLVKDONJSA-N 0 3 379.490 0.644 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000736143077 598348497 /nfs/dbraw/zinc/34/84/97/598348497.db2.gz ICPVKSUPJKXOBK-LLVKDONJSA-N 0 3 379.490 0.644 20 0 GCADHN CCCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736456700 598404811 /nfs/dbraw/zinc/40/48/11/598404811.db2.gz HOIOAJVFBYPFKR-UHFFFAOYSA-N 0 3 385.472 0.977 20 0 GCADHN CCCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736456700 598404813 /nfs/dbraw/zinc/40/48/13/598404813.db2.gz HOIOAJVFBYPFKR-UHFFFAOYSA-N 0 3 385.472 0.977 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000736768938 598433237 /nfs/dbraw/zinc/43/32/37/598433237.db2.gz JUYYATXXOLOSFD-UHFFFAOYSA-N 0 3 394.439 0.791 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000737775595 598434924 /nfs/dbraw/zinc/43/49/24/598434924.db2.gz CYTBBGKQFOJKMY-CVEARBPZSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000737775595 598434925 /nfs/dbraw/zinc/43/49/25/598434925.db2.gz CYTBBGKQFOJKMY-CVEARBPZSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000737775595 598434927 /nfs/dbraw/zinc/43/49/27/598434927.db2.gz CYTBBGKQFOJKMY-CVEARBPZSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000737775595 598434928 /nfs/dbraw/zinc/43/49/28/598434928.db2.gz CYTBBGKQFOJKMY-CVEARBPZSA-N 0 3 393.455 0.991 20 0 GCADHN C[NH+]1CCC(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736849328 598438265 /nfs/dbraw/zinc/43/82/65/598438265.db2.gz RUECKIHWXUICBX-UHFFFAOYSA-N 0 3 381.444 0.706 20 0 GCADHN C[NH+]1CCC(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000736849328 598438266 /nfs/dbraw/zinc/43/82/66/598438266.db2.gz RUECKIHWXUICBX-UHFFFAOYSA-N 0 3 381.444 0.706 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000737777434 598438798 /nfs/dbraw/zinc/43/87/98/598438798.db2.gz UXWGYWRURIRAMB-OAHLLOKOSA-N 0 3 393.455 0.945 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000737777434 598438799 /nfs/dbraw/zinc/43/87/99/598438799.db2.gz UXWGYWRURIRAMB-OAHLLOKOSA-N 0 3 393.455 0.945 20 0 GCADHN C[NH+](C)CCn1c2cc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)ccc2oc1=O ZINC000736772032 598449898 /nfs/dbraw/zinc/44/98/98/598449898.db2.gz USIPMWZKONSVNW-UHFFFAOYSA-N 0 3 394.395 0.984 20 0 GCADHN C[NH+](C)CCn1c2cc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)ccc2oc1=O ZINC000736772032 598449900 /nfs/dbraw/zinc/44/99/00/598449900.db2.gz USIPMWZKONSVNW-UHFFFAOYSA-N 0 3 394.395 0.984 20 0 GCADHN COCCN1CC[C@@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737007583 598466315 /nfs/dbraw/zinc/46/63/15/598466315.db2.gz NFYWFBQNQHKQHC-NVXWUHKLSA-N 0 3 385.472 0.672 20 0 GCADHN CC[NH+](CC)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736530930 598476623 /nfs/dbraw/zinc/47/66/23/598476623.db2.gz PRVFNTFUZKZPAT-UHFFFAOYSA-N 0 3 387.492 0.872 20 0 GCADHN CC[NH+](CC)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736530930 598476625 /nfs/dbraw/zinc/47/66/25/598476625.db2.gz PRVFNTFUZKZPAT-UHFFFAOYSA-N 0 3 387.492 0.872 20 0 GCADHN C[NH+]1CCC(NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000736856990 598478000 /nfs/dbraw/zinc/47/80/00/598478000.db2.gz QAGFCICEXLCKPA-UHFFFAOYSA-N 0 3 385.476 0.624 20 0 GCADHN C[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736860385 598480202 /nfs/dbraw/zinc/48/02/02/598480202.db2.gz OPKJJIBYDNUZRR-HNNXBMFYSA-N 0 3 385.476 0.624 20 0 GCADHN C[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736860385 598480204 /nfs/dbraw/zinc/48/02/04/598480204.db2.gz OPKJJIBYDNUZRR-HNNXBMFYSA-N 0 3 385.476 0.624 20 0 GCADHN CCN(CC)CCN(CCOC)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736529857 598510131 /nfs/dbraw/zinc/51/01/31/598510131.db2.gz ACYHYVJVQWIKED-UHFFFAOYSA-N 0 3 396.517 0.987 20 0 GCADHN O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738078233 598511456 /nfs/dbraw/zinc/51/14/56/598511456.db2.gz OWBSUYULSREWEE-CQSZACIVSA-N 0 3 385.476 0.943 20 0 GCADHN O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738078233 598511459 /nfs/dbraw/zinc/51/14/59/598511459.db2.gz OWBSUYULSREWEE-CQSZACIVSA-N 0 3 385.476 0.943 20 0 GCADHN CN(C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Cc1ccccc1 ZINC000736760963 598517612 /nfs/dbraw/zinc/51/76/12/598517612.db2.gz RYCLIGUTUFOOGG-CVEARBPZSA-N 0 3 381.488 0.867 20 0 GCADHN CN(C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Cc1ccccc1 ZINC000736760963 598517614 /nfs/dbraw/zinc/51/76/14/598517614.db2.gz RYCLIGUTUFOOGG-CVEARBPZSA-N 0 3 381.488 0.867 20 0 GCADHN Cc1cccc(C)c1NC(=O)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737388805 598518967 /nfs/dbraw/zinc/51/89/67/598518967.db2.gz FVTVCXQLUHKZTR-ZDUSSCGKSA-N 0 3 381.444 0.950 20 0 GCADHN CN(C)C(=O)c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736752793 598520201 /nfs/dbraw/zinc/52/02/01/598520201.db2.gz CBDLKMGUXGYWAT-ZDUSSCGKSA-N 0 3 381.444 0.597 20 0 GCADHN CN(C)C(=O)c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736752793 598520203 /nfs/dbraw/zinc/52/02/03/598520203.db2.gz CBDLKMGUXGYWAT-ZDUSSCGKSA-N 0 3 381.444 0.597 20 0 GCADHN COCC(=O)Nc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736966043 598520221 /nfs/dbraw/zinc/52/02/21/598520221.db2.gz JVDUZLUYEKPROB-ZDUSSCGKSA-N 0 3 397.443 0.480 20 0 GCADHN COCC(=O)Nc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736966043 598520222 /nfs/dbraw/zinc/52/02/22/598520222.db2.gz JVDUZLUYEKPROB-ZDUSSCGKSA-N 0 3 397.443 0.480 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]C1CCN(Cc3ccncc3)CC1)C2 ZINC000738413264 598523541 /nfs/dbraw/zinc/52/35/41/598523541.db2.gz RQZNVUSCCWTQDS-HNNXBMFYSA-N 0 3 394.487 0.754 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]C1CCN(Cc3ccncc3)CC1)C2 ZINC000738413264 598523543 /nfs/dbraw/zinc/52/35/43/598523543.db2.gz RQZNVUSCCWTQDS-HNNXBMFYSA-N 0 3 394.487 0.754 20 0 GCADHN CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736762688 598524138 /nfs/dbraw/zinc/52/41/38/598524138.db2.gz JVRSJCIWCNKKIR-CVEARBPZSA-N 0 3 381.488 0.867 20 0 GCADHN CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736762688 598524140 /nfs/dbraw/zinc/52/41/40/598524140.db2.gz JVRSJCIWCNKKIR-CVEARBPZSA-N 0 3 381.488 0.867 20 0 GCADHN COc1ccc(C(=O)NCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737066684 598525131 /nfs/dbraw/zinc/52/51/31/598525131.db2.gz HFZJPJGZOPARHH-LBPRGKRZSA-N 0 3 397.443 0.133 20 0 GCADHN COc1ccc(C(=O)NCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737066684 598525133 /nfs/dbraw/zinc/52/51/33/598525133.db2.gz HFZJPJGZOPARHH-LBPRGKRZSA-N 0 3 397.443 0.133 20 0 GCADHN Cc1cccc(C(=O)NCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737383877 598525241 /nfs/dbraw/zinc/52/52/41/598525241.db2.gz FGFANKKQGURSBC-CYBMUJFWSA-N 0 3 381.444 0.433 20 0 GCADHN Cc1cccc(C(=O)NCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737383877 598525242 /nfs/dbraw/zinc/52/52/42/598525242.db2.gz FGFANKKQGURSBC-CYBMUJFWSA-N 0 3 381.444 0.433 20 0 GCADHN CN(C)C(=O)C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000736745330 598526277 /nfs/dbraw/zinc/52/62/77/598526277.db2.gz GASIYCJKVOQOHN-XJKSGUPXSA-N 0 3 395.471 0.914 20 0 GCADHN CN(C)C(=O)C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1 ZINC000736745330 598526279 /nfs/dbraw/zinc/52/62/79/598526279.db2.gz GASIYCJKVOQOHN-XJKSGUPXSA-N 0 3 395.471 0.914 20 0 GCADHN O=S(=O)(CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000738332564 598526701 /nfs/dbraw/zinc/52/67/01/598526701.db2.gz UEPLMUMSMFXRRW-GFCCVEGCSA-N 0 3 388.457 0.168 20 0 GCADHN O=S(=O)(CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1 ZINC000738332564 598526705 /nfs/dbraw/zinc/52/67/05/598526705.db2.gz UEPLMUMSMFXRRW-GFCCVEGCSA-N 0 3 388.457 0.168 20 0 GCADHN O=S(=O)(CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000738332566 598526963 /nfs/dbraw/zinc/52/69/63/598526963.db2.gz UEPLMUMSMFXRRW-LBPRGKRZSA-N 0 3 388.457 0.168 20 0 GCADHN O=S(=O)(CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1 ZINC000738332566 598526964 /nfs/dbraw/zinc/52/69/64/598526964.db2.gz UEPLMUMSMFXRRW-LBPRGKRZSA-N 0 3 388.457 0.168 20 0 GCADHN CC(C)c1nnc2n1C[C@@H]([NH2+]C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000735952648 598527376 /nfs/dbraw/zinc/52/73/76/598527376.db2.gz JQXWNWYTCZTYNU-RYUDHWBXSA-N 0 3 383.464 0.424 20 0 GCADHN CC(C)c1nnc2n1C[C@@H]([NH2+]C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000735952648 598527378 /nfs/dbraw/zinc/52/73/78/598527378.db2.gz JQXWNWYTCZTYNU-RYUDHWBXSA-N 0 3 383.464 0.424 20 0 GCADHN CC(=O)Nc1cccc(OCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000735487960 598528629 /nfs/dbraw/zinc/52/86/29/598528629.db2.gz DHVCKXKBHBOUER-ZDUSSCGKSA-N 0 3 397.443 0.732 20 0 GCADHN CC(=O)Nc1cccc(OCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000735487960 598528631 /nfs/dbraw/zinc/52/86/31/598528631.db2.gz DHVCKXKBHBOUER-ZDUSSCGKSA-N 0 3 397.443 0.732 20 0 GCADHN CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000735942028 598530348 /nfs/dbraw/zinc/53/03/48/598530348.db2.gz AUVQYPQBQWVUFM-RYUDHWBXSA-N 0 3 383.464 0.424 20 0 GCADHN CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000735942028 598530349 /nfs/dbraw/zinc/53/03/49/598530349.db2.gz AUVQYPQBQWVUFM-RYUDHWBXSA-N 0 3 383.464 0.424 20 0 GCADHN C[C@H](CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NC(=O)OC(C)(C)C ZINC000735987921 598530560 /nfs/dbraw/zinc/53/05/60/598530560.db2.gz YPFVGJABWDPOEC-NEPJUHHUSA-N 0 3 391.480 0.998 20 0 GCADHN C[C@H](CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)NC(=O)OC(C)(C)C ZINC000735987921 598530561 /nfs/dbraw/zinc/53/05/61/598530561.db2.gz YPFVGJABWDPOEC-NEPJUHHUSA-N 0 3 391.480 0.998 20 0 GCADHN CN(CCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)OC(C)(C)C ZINC000736799278 598530950 /nfs/dbraw/zinc/53/09/50/598530950.db2.gz BDOAKJRCJRZXNT-GFCCVEGCSA-N 0 3 391.480 0.952 20 0 GCADHN CN(CCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(=O)OC(C)(C)C ZINC000736799278 598530951 /nfs/dbraw/zinc/53/09/51/598530951.db2.gz BDOAKJRCJRZXNT-GFCCVEGCSA-N 0 3 391.480 0.952 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737743660 598556488 /nfs/dbraw/zinc/55/64/88/598556488.db2.gz ILKVOQZTCTXEPT-INIZCTEOSA-N 0 3 385.472 0.503 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737743660 598556490 /nfs/dbraw/zinc/55/64/90/598556490.db2.gz ILKVOQZTCTXEPT-INIZCTEOSA-N 0 3 385.472 0.503 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737743660 598556492 /nfs/dbraw/zinc/55/64/92/598556492.db2.gz ILKVOQZTCTXEPT-INIZCTEOSA-N 0 3 385.472 0.503 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737743660 598556494 /nfs/dbraw/zinc/55/64/94/598556494.db2.gz ILKVOQZTCTXEPT-INIZCTEOSA-N 0 3 385.472 0.503 20 0 GCADHN CCS(=O)(=O)NCCN1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736665286 598593332 /nfs/dbraw/zinc/59/33/32/598593332.db2.gz SRIQGGJMEQBXLZ-UHFFFAOYSA-N 0 3 393.517 0.314 20 0 GCADHN CCS(=O)(=O)NCCN1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736665286 598593334 /nfs/dbraw/zinc/59/33/34/598593334.db2.gz SRIQGGJMEQBXLZ-UHFFFAOYSA-N 0 3 393.517 0.314 20 0 GCADHN C[NH+](C)[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000736757291 598600725 /nfs/dbraw/zinc/60/07/25/598600725.db2.gz QDDHIKRVXAXVIQ-CQSZACIVSA-N 0 3 384.444 0.224 20 0 GCADHN C[NH+](C)[C@@H]1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736757094 598600853 /nfs/dbraw/zinc/60/08/53/598600853.db2.gz OIWGYPCKVBEGAL-OAHLLOKOSA-N 0 3 384.444 0.224 20 0 GCADHN O=C(CC[N@@H+](CCO)CCCO)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737837319 598620476 /nfs/dbraw/zinc/62/04/76/598620476.db2.gz FGPZYAPQVKRHRM-UHFFFAOYSA-N 0 3 380.474 0.422 20 0 GCADHN O=C(CC[N@H+](CCO)CCCO)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737837319 598620478 /nfs/dbraw/zinc/62/04/78/598620478.db2.gz FGPZYAPQVKRHRM-UHFFFAOYSA-N 0 3 380.474 0.422 20 0 GCADHN O=C(CC[N@@H+](CCO)CCCO)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737837319 598620482 /nfs/dbraw/zinc/62/04/82/598620482.db2.gz FGPZYAPQVKRHRM-UHFFFAOYSA-N 0 3 380.474 0.422 20 0 GCADHN O=C(CC[N@H+](CCO)CCCO)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737837319 598620483 /nfs/dbraw/zinc/62/04/83/598620483.db2.gz FGPZYAPQVKRHRM-UHFFFAOYSA-N 0 3 380.474 0.422 20 0 GCADHN NS(=O)(=O)c1ccc(N2CC[NH+](C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000737769201 598633676 /nfs/dbraw/zinc/63/36/76/598633676.db2.gz HKPNLNZEDAABSB-UHFFFAOYSA-N 0 3 377.474 0.579 20 0 GCADHN NS(=O)(=O)c1ccc(N2CC[NH+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000737769201 598633678 /nfs/dbraw/zinc/63/36/78/598633678.db2.gz HKPNLNZEDAABSB-UHFFFAOYSA-N 0 3 377.474 0.579 20 0 GCADHN C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736002642 598636797 /nfs/dbraw/zinc/63/67/97/598636797.db2.gz SBIUKAXZIRFINV-LLVKDONJSA-N 0 3 375.408 0.935 20 0 GCADHN COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737005989 598639970 /nfs/dbraw/zinc/63/99/70/598639970.db2.gz DSTCKSDSVKXLFJ-UHFFFAOYSA-N 0 3 391.407 0.171 20 0 GCADHN COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737005989 598639972 /nfs/dbraw/zinc/63/99/72/598639972.db2.gz DSTCKSDSVKXLFJ-UHFFFAOYSA-N 0 3 391.407 0.171 20 0 GCADHN CN(CC[NH+]1CCCC1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736798925 598669940 /nfs/dbraw/zinc/66/99/40/598669940.db2.gz KFXNUCDAAFJLLO-UHFFFAOYSA-N 0 3 381.444 0.802 20 0 GCADHN CN(CC[NH+]1CCCC1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736798925 598669942 /nfs/dbraw/zinc/66/99/42/598669942.db2.gz KFXNUCDAAFJLLO-UHFFFAOYSA-N 0 3 381.444 0.802 20 0 GCADHN O=C(NCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1cccc(F)c1 ZINC000738066564 598712741 /nfs/dbraw/zinc/71/27/41/598712741.db2.gz QJMVEJXAZFHSBL-GFCCVEGCSA-N 0 3 399.434 0.654 20 0 GCADHN O=C(NCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1cccc(F)c1 ZINC000738066564 598712743 /nfs/dbraw/zinc/71/27/43/598712743.db2.gz QJMVEJXAZFHSBL-GFCCVEGCSA-N 0 3 399.434 0.654 20 0 GCADHN O=C(NCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(F)cc1 ZINC000738065238 598712942 /nfs/dbraw/zinc/71/29/42/598712942.db2.gz HWBIAOVZQJIPBW-LBPRGKRZSA-N 0 3 399.434 0.654 20 0 GCADHN O=C(NCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(F)cc1 ZINC000738065238 598712944 /nfs/dbraw/zinc/71/29/44/598712944.db2.gz HWBIAOVZQJIPBW-LBPRGKRZSA-N 0 3 399.434 0.654 20 0 GCADHN O=C(C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NCCc1ccccc1 ZINC000737894643 598714844 /nfs/dbraw/zinc/71/48/44/598714844.db2.gz IRBOXXVRDAAZCH-AWEZNQCLSA-N 0 3 381.444 0.053 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736571517 598717241 /nfs/dbraw/zinc/71/72/41/598717241.db2.gz SJUHABDTFPOHNN-INIZCTEOSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736571517 598717243 /nfs/dbraw/zinc/71/72/43/598717243.db2.gz SJUHABDTFPOHNN-INIZCTEOSA-N 0 3 399.503 0.968 20 0 GCADHN CCCC[N@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736454396 598784031 /nfs/dbraw/zinc/78/40/31/598784031.db2.gz XCKMFGQGLMYMKG-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCCC[N@@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736454396 598784032 /nfs/dbraw/zinc/78/40/32/598784032.db2.gz XCKMFGQGLMYMKG-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCCC[N@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736454396 598784033 /nfs/dbraw/zinc/78/40/33/598784033.db2.gz XCKMFGQGLMYMKG-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCCC[N@@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736454396 598784034 /nfs/dbraw/zinc/78/40/34/598784034.db2.gz XCKMFGQGLMYMKG-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CC(C)OC(=O)N1CCC([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000735895272 598797615 /nfs/dbraw/zinc/79/76/15/598797615.db2.gz SAUMYBSJWBFSEZ-LBPRGKRZSA-N 0 3 389.464 0.704 20 0 GCADHN CC(C)OC(=O)N1CCC([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000735895272 598797617 /nfs/dbraw/zinc/79/76/17/598797617.db2.gz SAUMYBSJWBFSEZ-LBPRGKRZSA-N 0 3 389.464 0.704 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000737776273 598816510 /nfs/dbraw/zinc/81/65/10/598816510.db2.gz KKKCYXYQGKLYKY-UHFFFAOYSA-N 0 3 381.444 0.850 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000737776273 598816512 /nfs/dbraw/zinc/81/65/12/598816512.db2.gz KKKCYXYQGKLYKY-UHFFFAOYSA-N 0 3 381.444 0.850 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](CCOc3ccc(-c4nn[n-]n4)cc3)C[C@H]2C)CC1 ZINC000735465211 599297645 /nfs/dbraw/zinc/29/76/45/599297645.db2.gz HDKFDGKTCWCOJL-DNVCBOLYSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](CCOc3ccc(-c4nn[n-]n4)cc3)C[C@H]2C)CC1 ZINC000735465211 599297646 /nfs/dbraw/zinc/29/76/46/599297646.db2.gz HDKFDGKTCWCOJL-DNVCBOLYSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccc(F)cc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000735465765 599298419 /nfs/dbraw/zinc/29/84/19/599298419.db2.gz NARVUZPVPDVLHT-SCLBCKFNSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccc(F)cc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000735465765 599298421 /nfs/dbraw/zinc/29/84/21/599298421.db2.gz NARVUZPVPDVLHT-SCLBCKFNSA-N 0 3 387.463 0.990 20 0 GCADHN O=C(CC[N@@H+]1CC[C@H](N2CCOCC2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737839876 599299369 /nfs/dbraw/zinc/29/93/69/599299369.db2.gz WCMFNCWQKSPPCX-LBPRGKRZSA-N 0 3 377.474 0.663 20 0 GCADHN O=C(CC[N@H+]1CC[C@H](N2CCOCC2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737839876 599299371 /nfs/dbraw/zinc/29/93/71/599299371.db2.gz WCMFNCWQKSPPCX-LBPRGKRZSA-N 0 3 377.474 0.663 20 0 GCADHN CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)[C@H](C)C1 ZINC000735465352 599300211 /nfs/dbraw/zinc/30/02/11/599300211.db2.gz JFTGGQUTUVODQG-DQYPLSBCSA-N 0 3 383.456 0.819 20 0 GCADHN CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735590210 599356233 /nfs/dbraw/zinc/35/62/33/599356233.db2.gz WEPMYQUMVPQUSF-AWEZNQCLSA-N 0 3 384.444 0.988 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000736633376 599359339 /nfs/dbraw/zinc/35/93/39/599359339.db2.gz AHUSDSWFWJDKSI-UHFFFAOYSA-N 0 3 389.460 0.908 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000736636206 599359713 /nfs/dbraw/zinc/35/97/13/599359713.db2.gz PJNDEROPNRWNMG-GFCCVEGCSA-N 0 3 387.444 0.662 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000736636206 599359716 /nfs/dbraw/zinc/35/97/16/599359716.db2.gz PJNDEROPNRWNMG-GFCCVEGCSA-N 0 3 387.444 0.662 20 0 GCADHN O=C(COc1cccc(-c2nnn[n-]2)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000737925056 599391791 /nfs/dbraw/zinc/39/17/91/599391791.db2.gz NJDABMHIGVUQHB-AWEZNQCLSA-N 0 3 386.456 0.863 20 0 GCADHN O=C(COc1cccc(-c2nn[n-]n2)c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000737925056 599391793 /nfs/dbraw/zinc/39/17/93/599391793.db2.gz NJDABMHIGVUQHB-AWEZNQCLSA-N 0 3 386.456 0.863 20 0 GCADHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821691487 599444191 /nfs/dbraw/zinc/44/41/91/599444191.db2.gz WFDFMQABIADNNU-CQSZACIVSA-N 0 3 377.424 0.916 20 0 GCADHN COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821691487 599444192 /nfs/dbraw/zinc/44/41/92/599444192.db2.gz WFDFMQABIADNNU-CQSZACIVSA-N 0 3 377.424 0.916 20 0 GCADHN CS(=O)(=O)N1CCC([NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000737166215 599484997 /nfs/dbraw/zinc/48/49/97/599484997.db2.gz OSXLGVMVBUZVTJ-UHFFFAOYSA-N 0 3 376.446 0.028 20 0 GCADHN CS(=O)(=O)N1CCC([NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000737166215 599484999 /nfs/dbraw/zinc/48/49/99/599484999.db2.gz OSXLGVMVBUZVTJ-UHFFFAOYSA-N 0 3 376.446 0.028 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823161568 599487510 /nfs/dbraw/zinc/48/75/10/599487510.db2.gz OIEYEVZNWFGVGS-HNNXBMFYSA-N 0 3 397.483 0.931 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823161568 599487513 /nfs/dbraw/zinc/48/75/13/599487513.db2.gz OIEYEVZNWFGVGS-HNNXBMFYSA-N 0 3 397.483 0.931 20 0 GCADHN CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821599203 599488724 /nfs/dbraw/zinc/48/87/24/599488724.db2.gz JUONNCKSGZGJRU-MRXNPFEDSA-N 0 3 385.472 0.929 20 0 GCADHN CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821599203 599488726 /nfs/dbraw/zinc/48/87/26/599488726.db2.gz JUONNCKSGZGJRU-MRXNPFEDSA-N 0 3 385.472 0.929 20 0 GCADHN CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821599203 599488728 /nfs/dbraw/zinc/48/87/28/599488728.db2.gz JUONNCKSGZGJRU-MRXNPFEDSA-N 0 3 385.472 0.929 20 0 GCADHN CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821599203 599488730 /nfs/dbraw/zinc/48/87/30/599488730.db2.gz JUONNCKSGZGJRU-MRXNPFEDSA-N 0 3 385.472 0.929 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738022115 599493075 /nfs/dbraw/zinc/49/30/75/599493075.db2.gz CTTPDBUZEMQDRF-OAHLLOKOSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738022115 599493077 /nfs/dbraw/zinc/49/30/77/599493077.db2.gz CTTPDBUZEMQDRF-OAHLLOKOSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738022115 599493079 /nfs/dbraw/zinc/49/30/79/599493079.db2.gz CTTPDBUZEMQDRF-OAHLLOKOSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738022115 599493081 /nfs/dbraw/zinc/49/30/81/599493081.db2.gz CTTPDBUZEMQDRF-OAHLLOKOSA-N 0 3 397.487 0.578 20 0 GCADHN CC[NH+](CC)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821180322 599494843 /nfs/dbraw/zinc/49/48/43/599494843.db2.gz BMESHVGATMHADM-AWEZNQCLSA-N 0 3 385.472 0.787 20 0 GCADHN CC[NH+](CC)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821180322 599494844 /nfs/dbraw/zinc/49/48/44/599494844.db2.gz BMESHVGATMHADM-AWEZNQCLSA-N 0 3 385.472 0.787 20 0 GCADHN CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000736565557 599511340 /nfs/dbraw/zinc/51/13/40/599511340.db2.gz LMRIIKCRLXLLBK-UHFFFAOYSA-N 0 3 387.444 0.662 20 0 GCADHN C[NH+](C)C[C@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C1 ZINC000736759470 599581018 /nfs/dbraw/zinc/58/10/18/599581018.db2.gz RVDDIUCPBWLHPZ-BFUOFWGJSA-N 0 3 398.471 0.475 20 0 GCADHN C[NH+](C)C[C@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736759470 599581020 /nfs/dbraw/zinc/58/10/20/599581020.db2.gz RVDDIUCPBWLHPZ-BFUOFWGJSA-N 0 3 398.471 0.475 20 0 GCADHN O=C1CN(CN2CC[N@@H+]3CCC[C@@H]3C2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738305911 599582086 /nfs/dbraw/zinc/58/20/86/599582086.db2.gz DNZJURNQSFKMHN-MRXNPFEDSA-N 0 3 396.455 0.368 20 0 GCADHN O=C1CN(CN2CC[N@H+]3CCC[C@@H]3C2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738305911 599582088 /nfs/dbraw/zinc/58/20/88/599582088.db2.gz DNZJURNQSFKMHN-MRXNPFEDSA-N 0 3 396.455 0.368 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820995706 599673358 /nfs/dbraw/zinc/67/33/58/599673358.db2.gz WIFCMKWMSRPHED-ZIAGYGMSSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820995706 599673359 /nfs/dbraw/zinc/67/33/59/599673359.db2.gz WIFCMKWMSRPHED-ZIAGYGMSSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820995706 599673360 /nfs/dbraw/zinc/67/33/60/599673360.db2.gz WIFCMKWMSRPHED-ZIAGYGMSSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820995706 599673361 /nfs/dbraw/zinc/67/33/61/599673361.db2.gz WIFCMKWMSRPHED-ZIAGYGMSSA-N 0 3 385.476 0.942 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC[N@@H+]1C ZINC000820658615 599676349 /nfs/dbraw/zinc/67/63/49/599676349.db2.gz UJECUBDGZVDWIA-DZGCQCFKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC[N@H+]1C ZINC000820658615 599676350 /nfs/dbraw/zinc/67/63/50/599676350.db2.gz UJECUBDGZVDWIA-DZGCQCFKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC[N@@H+]1C ZINC000820658615 599676351 /nfs/dbraw/zinc/67/63/51/599676351.db2.gz UJECUBDGZVDWIA-DZGCQCFKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC[N@H+]1C ZINC000820658615 599676352 /nfs/dbraw/zinc/67/63/52/599676352.db2.gz UJECUBDGZVDWIA-DZGCQCFKSA-N 0 3 385.476 0.576 20 0 GCADHN NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000822850782 599691342 /nfs/dbraw/zinc/69/13/42/599691342.db2.gz QESWFPSKAXVDPM-SFHVURJKSA-N 0 3 399.499 0.970 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1-c1nnn[n-]1 ZINC000820155486 607435550 /nfs/dbraw/zinc/43/55/50/607435550.db2.gz QRMANPMVSCGWMK-ZDUSSCGKSA-N 0 3 387.444 0.755 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)cc1-c1nn[n-]n1 ZINC000820155486 607435552 /nfs/dbraw/zinc/43/55/52/607435552.db2.gz QRMANPMVSCGWMK-ZDUSSCGKSA-N 0 3 387.444 0.755 20 0 GCADHN Cc1cnc(CN(C)[C@H]2CC[N@H+](C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)o1 ZINC000822388914 607444937 /nfs/dbraw/zinc/44/49/37/607444937.db2.gz GEPLQLDVHPXGKH-KBPBESRZSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@H]2CC[N@@H+](C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)o1 ZINC000822388914 607444938 /nfs/dbraw/zinc/44/49/38/607444938.db2.gz GEPLQLDVHPXGKH-KBPBESRZSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@H]2CC[N@H+](C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)o1 ZINC000822388914 607444940 /nfs/dbraw/zinc/44/49/40/607444940.db2.gz GEPLQLDVHPXGKH-KBPBESRZSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@H]2CC[N@@H+](C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)o1 ZINC000822388914 607444942 /nfs/dbraw/zinc/44/49/42/607444942.db2.gz GEPLQLDVHPXGKH-KBPBESRZSA-N 0 3 398.475 0.608 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1-c1nnn[n-]1 ZINC000826194330 607482575 /nfs/dbraw/zinc/48/25/75/607482575.db2.gz JDNZRBCDQYUFKT-OAHLLOKOSA-N 0 3 386.456 0.946 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1-c1nnn[n-]1 ZINC000826194330 607482577 /nfs/dbraw/zinc/48/25/77/607482577.db2.gz JDNZRBCDQYUFKT-OAHLLOKOSA-N 0 3 386.456 0.946 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000826194330 607482579 /nfs/dbraw/zinc/48/25/79/607482579.db2.gz JDNZRBCDQYUFKT-OAHLLOKOSA-N 0 3 386.456 0.946 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000826194330 607482581 /nfs/dbraw/zinc/48/25/81/607482581.db2.gz JDNZRBCDQYUFKT-OAHLLOKOSA-N 0 3 386.456 0.946 20 0 GCADHN O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826432890 607510240 /nfs/dbraw/zinc/51/02/40/607510240.db2.gz OSQFXBRIIMLKOW-INIZCTEOSA-N 0 3 379.424 0.411 20 0 GCADHN O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826432890 607510241 /nfs/dbraw/zinc/51/02/41/607510241.db2.gz OSQFXBRIIMLKOW-INIZCTEOSA-N 0 3 379.424 0.411 20 0 GCADHN COc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1-c1nnn[n-]1 ZINC000826193738 607512747 /nfs/dbraw/zinc/51/27/47/607512747.db2.gz NLVMFLBIJAZWMP-SFHVURJKSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1-c1nnn[n-]1 ZINC000826193737 607512757 /nfs/dbraw/zinc/51/27/57/607512757.db2.gz NLVMFLBIJAZWMP-GOSISDBHSA-N 0 3 385.428 0.685 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825855912 607556259 /nfs/dbraw/zinc/55/62/59/607556259.db2.gz LZOAZQQTDLWXCR-BMFZPTHFSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825855912 607556261 /nfs/dbraw/zinc/55/62/61/607556261.db2.gz LZOAZQQTDLWXCR-BMFZPTHFSA-N 0 3 392.485 0.739 20 0 GCADHN COCCC[N@H+](C)CCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826156143 607565777 /nfs/dbraw/zinc/56/57/77/607565777.db2.gz RDXKIMJDAWPPSO-UHFFFAOYSA-N 0 3 377.449 0.643 20 0 GCADHN COCCC[N@@H+](C)CCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826156143 607565778 /nfs/dbraw/zinc/56/57/78/607565778.db2.gz RDXKIMJDAWPPSO-UHFFFAOYSA-N 0 3 377.449 0.643 20 0 GCADHN COCCC[N@H+](C)CCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826156143 607565779 /nfs/dbraw/zinc/56/57/79/607565779.db2.gz RDXKIMJDAWPPSO-UHFFFAOYSA-N 0 3 377.449 0.643 20 0 GCADHN COCCC[N@@H+](C)CCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826156143 607565780 /nfs/dbraw/zinc/56/57/80/607565780.db2.gz RDXKIMJDAWPPSO-UHFFFAOYSA-N 0 3 377.449 0.643 20 0 GCADHN COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826159641 607565821 /nfs/dbraw/zinc/56/58/21/607565821.db2.gz MKYFHAUFZDXRFB-AWEZNQCLSA-N 0 3 389.460 0.785 20 0 GCADHN COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826159641 607565822 /nfs/dbraw/zinc/56/58/22/607565822.db2.gz MKYFHAUFZDXRFB-AWEZNQCLSA-N 0 3 389.460 0.785 20 0 GCADHN C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000825860296 607618641 /nfs/dbraw/zinc/61/86/41/607618641.db2.gz PBFQZXQPBMHDJK-SNVBAGLBSA-N 0 3 386.865 0.471 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000824705783 607632025 /nfs/dbraw/zinc/63/20/25/607632025.db2.gz DUPJHZGKDRVXNL-CYBMUJFWSA-N 0 3 394.501 0.580 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825577118 607667663 /nfs/dbraw/zinc/66/76/63/607667663.db2.gz TVCBLKGVQGIMHZ-CYBMUJFWSA-N 0 3 382.490 0.810 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825577118 607667665 /nfs/dbraw/zinc/66/76/65/607667665.db2.gz TVCBLKGVQGIMHZ-CYBMUJFWSA-N 0 3 382.490 0.810 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825577716 607667717 /nfs/dbraw/zinc/66/77/17/607667717.db2.gz ZHOXCNGMCWDWLC-LBPRGKRZSA-N 0 3 386.453 0.641 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000824297106 607671750 /nfs/dbraw/zinc/67/17/50/607671750.db2.gz QGDXIHGFUNOLDX-UHFFFAOYSA-N 0 3 380.474 0.380 20 0 GCADHN Cn1cc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c(C(F)(F)F)n1 ZINC000826361673 607707674 /nfs/dbraw/zinc/70/76/74/607707674.db2.gz IGIITZCKTUMTDJ-MRVPVSSYSA-N 0 3 382.354 0.647 20 0 GCADHN Cn1cc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c(C(F)(F)F)n1 ZINC000826361673 607707676 /nfs/dbraw/zinc/70/76/76/607707676.db2.gz IGIITZCKTUMTDJ-MRVPVSSYSA-N 0 3 382.354 0.647 20 0 GCADHN C[NH+](C)CCn1cc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1 ZINC000821587447 606132953 /nfs/dbraw/zinc/13/29/53/606132953.db2.gz XUSXFTQQQXHMLV-UHFFFAOYSA-N 0 3 385.436 0.253 20 0 GCADHN C[NH+](C)CCn1cc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1 ZINC000821587447 606132955 /nfs/dbraw/zinc/13/29/55/606132955.db2.gz XUSXFTQQQXHMLV-UHFFFAOYSA-N 0 3 385.436 0.253 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821254592 606169081 /nfs/dbraw/zinc/16/90/81/606169081.db2.gz NFNKHBJXPNCULQ-LBPRGKRZSA-N 0 3 375.408 0.887 20 0 GCADHN CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821254592 606169082 /nfs/dbraw/zinc/16/90/82/606169082.db2.gz NFNKHBJXPNCULQ-LBPRGKRZSA-N 0 3 375.408 0.887 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCN(C2CCOCC2)CC1 ZINC000819876995 606177652 /nfs/dbraw/zinc/17/76/52/606177652.db2.gz MKANTVPAHICNEV-CQSZACIVSA-N 0 3 385.472 0.990 20 0 GCADHN COC1CCN(CCNC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821679514 606198267 /nfs/dbraw/zinc/19/82/67/606198267.db2.gz AJJXJRWGJDCPIJ-UHFFFAOYSA-N 0 3 389.460 0.656 20 0 GCADHN O=C(CC[NH2+]Cc1cc(-c2nnn[n-]2)cs1)N1CCN(c2ncccn2)CC1 ZINC000822969676 606216385 /nfs/dbraw/zinc/21/63/85/606216385.db2.gz WRWRADVFHPNNCS-UHFFFAOYSA-N 0 3 399.484 0.547 20 0 GCADHN O=C(CC[NH2+]Cc1cc(-c2nn[n-]n2)cs1)N1CCN(c2ncccn2)CC1 ZINC000822969676 606216386 /nfs/dbraw/zinc/21/63/86/606216386.db2.gz WRWRADVFHPNNCS-UHFFFAOYSA-N 0 3 399.484 0.547 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000821587410 606237353 /nfs/dbraw/zinc/23/73/53/606237353.db2.gz WFBSCWCJOCSYQY-UHFFFAOYSA-N 0 3 396.411 0.927 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000821587410 606237355 /nfs/dbraw/zinc/23/73/55/606237355.db2.gz WFBSCWCJOCSYQY-UHFFFAOYSA-N 0 3 396.411 0.927 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000821587218 606243426 /nfs/dbraw/zinc/24/34/26/606243426.db2.gz MAEOETFVAMRXEH-UHFFFAOYSA-N 0 3 396.455 0.427 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000821587218 606243427 /nfs/dbraw/zinc/24/34/27/606243427.db2.gz MAEOETFVAMRXEH-UHFFFAOYSA-N 0 3 396.455 0.427 20 0 GCADHN C[NH+](C)CCn1c2cc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)ccc2oc1=O ZINC000821587112 606265025 /nfs/dbraw/zinc/26/50/25/606265025.db2.gz HAJSJUPZZUHRST-UHFFFAOYSA-N 0 3 382.384 0.917 20 0 GCADHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000820683959 606284209 /nfs/dbraw/zinc/28/42/09/606284209.db2.gz KBRUAYZZLZVILM-GJZGRUSLSA-N 0 3 386.504 0.836 20 0 GCADHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000820683959 606284211 /nfs/dbraw/zinc/28/42/11/606284211.db2.gz KBRUAYZZLZVILM-GJZGRUSLSA-N 0 3 386.504 0.836 20 0 GCADHN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821252653 606293988 /nfs/dbraw/zinc/29/39/88/606293988.db2.gz AENQOLODSKZRGX-CVEARBPZSA-N 0 3 383.456 0.682 20 0 GCADHN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821252653 606293990 /nfs/dbraw/zinc/29/39/90/606293990.db2.gz AENQOLODSKZRGX-CVEARBPZSA-N 0 3 383.456 0.682 20 0 GCADHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)CC2 ZINC000822463442 606307267 /nfs/dbraw/zinc/30/72/67/606307267.db2.gz RXYNUSHAFVNIJY-ZYHUDNBSSA-N 0 3 385.457 0.538 20 0 GCADHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)CC2 ZINC000822463442 606307268 /nfs/dbraw/zinc/30/72/68/606307268.db2.gz RXYNUSHAFVNIJY-ZYHUDNBSSA-N 0 3 385.457 0.538 20 0 GCADHN C[N@H+](CCO)C1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821602888 606320465 /nfs/dbraw/zinc/32/04/65/606320465.db2.gz ZTCXRMJIJSHLFA-AWEZNQCLSA-N 0 3 391.501 0.422 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821602888 606320467 /nfs/dbraw/zinc/32/04/67/606320467.db2.gz ZTCXRMJIJSHLFA-AWEZNQCLSA-N 0 3 391.501 0.422 20 0 GCADHN C[N@H+](CCO)C1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821602888 606320468 /nfs/dbraw/zinc/32/04/68/606320468.db2.gz ZTCXRMJIJSHLFA-AWEZNQCLSA-N 0 3 391.501 0.422 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821602888 606320471 /nfs/dbraw/zinc/32/04/71/606320471.db2.gz ZTCXRMJIJSHLFA-AWEZNQCLSA-N 0 3 391.501 0.422 20 0 GCADHN C[NH+](C)[C@]1(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCSC1 ZINC000821581688 606329869 /nfs/dbraw/zinc/32/98/69/606329869.db2.gz SDVPXDABQXLNFZ-INIZCTEOSA-N 0 3 391.505 0.410 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000821652680 606333290 /nfs/dbraw/zinc/33/32/90/606333290.db2.gz XVQUQEXMCIGFDJ-RHSMWYFYSA-N 0 3 386.456 0.735 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000820753086 606333909 /nfs/dbraw/zinc/33/39/09/606333909.db2.gz WFADAPLRBPTBCS-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000820753086 606333911 /nfs/dbraw/zinc/33/39/11/606333911.db2.gz WFADAPLRBPTBCS-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000820753086 606333913 /nfs/dbraw/zinc/33/39/13/606333913.db2.gz WFADAPLRBPTBCS-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000820753086 606333916 /nfs/dbraw/zinc/33/39/16/606333916.db2.gz WFADAPLRBPTBCS-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821689143 606395447 /nfs/dbraw/zinc/39/54/47/606395447.db2.gz MWXNUGVGSRIOEA-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821689143 606395448 /nfs/dbraw/zinc/39/54/48/606395448.db2.gz MWXNUGVGSRIOEA-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821689143 606395449 /nfs/dbraw/zinc/39/54/49/606395449.db2.gz MWXNUGVGSRIOEA-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821689143 606395450 /nfs/dbraw/zinc/39/54/50/606395450.db2.gz MWXNUGVGSRIOEA-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C[NH+]1CCCC1 ZINC000820262070 606395679 /nfs/dbraw/zinc/39/56/79/606395679.db2.gz RMMVASQNOSFNNR-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C[NH+]1CCCC1 ZINC000820262070 606395681 /nfs/dbraw/zinc/39/56/81/606395681.db2.gz RMMVASQNOSFNNR-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821621921 606399660 /nfs/dbraw/zinc/39/96/60/606399660.db2.gz LFDKMIYFJWFAKK-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821621921 606399661 /nfs/dbraw/zinc/39/96/61/606399661.db2.gz LFDKMIYFJWFAKK-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000821255013 606586463 /nfs/dbraw/zinc/58/64/63/606586463.db2.gz RVQLBYUOQKYSEF-KGLIPLIRSA-N 0 3 385.476 0.942 20 0 GCADHN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000821255013 606586464 /nfs/dbraw/zinc/58/64/64/606586464.db2.gz RVQLBYUOQKYSEF-KGLIPLIRSA-N 0 3 385.476 0.942 20 0 GCADHN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000821255013 606586465 /nfs/dbraw/zinc/58/64/65/606586465.db2.gz RVQLBYUOQKYSEF-KGLIPLIRSA-N 0 3 385.476 0.942 20 0 GCADHN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000821255013 606586466 /nfs/dbraw/zinc/58/64/66/606586466.db2.gz RVQLBYUOQKYSEF-KGLIPLIRSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820995598 606600175 /nfs/dbraw/zinc/60/01/75/606600175.db2.gz UQDJHVMJTDONQK-JKSUJKDBSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820995598 606600176 /nfs/dbraw/zinc/60/01/76/606600176.db2.gz UQDJHVMJTDONQK-JKSUJKDBSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820995598 606600177 /nfs/dbraw/zinc/60/01/77/606600177.db2.gz UQDJHVMJTDONQK-JKSUJKDBSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820995598 606600178 /nfs/dbraw/zinc/60/01/78/606600178.db2.gz UQDJHVMJTDONQK-JKSUJKDBSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820995597 606600292 /nfs/dbraw/zinc/60/02/92/606600292.db2.gz UQDJHVMJTDONQK-HZPDHXFCSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820995597 606600295 /nfs/dbraw/zinc/60/02/95/606600295.db2.gz UQDJHVMJTDONQK-HZPDHXFCSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820995597 606600296 /nfs/dbraw/zinc/60/02/96/606600296.db2.gz UQDJHVMJTDONQK-HZPDHXFCSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820995597 606600298 /nfs/dbraw/zinc/60/02/98/606600298.db2.gz UQDJHVMJTDONQK-HZPDHXFCSA-N 0 3 383.456 0.682 20 0 GCADHN COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000821756749 606615249 /nfs/dbraw/zinc/61/52/49/606615249.db2.gz RIRRGCUGLZBCTJ-QWHCGFSZSA-N 0 3 387.444 0.803 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000821756749 606615251 /nfs/dbraw/zinc/61/52/51/606615251.db2.gz RIRRGCUGLZBCTJ-QWHCGFSZSA-N 0 3 387.444 0.803 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821351125 606634481 /nfs/dbraw/zinc/63/44/81/606634481.db2.gz LKWFMZICFSLNQJ-LLVKDONJSA-N 0 3 386.453 0.641 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821351125 606634482 /nfs/dbraw/zinc/63/44/82/606634482.db2.gz LKWFMZICFSLNQJ-LLVKDONJSA-N 0 3 386.453 0.641 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821351126 606634683 /nfs/dbraw/zinc/63/46/83/606634683.db2.gz LKWFMZICFSLNQJ-NSHDSACASA-N 0 3 386.453 0.641 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821351126 606634684 /nfs/dbraw/zinc/63/46/84/606634684.db2.gz LKWFMZICFSLNQJ-NSHDSACASA-N 0 3 386.453 0.641 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821242982 606679128 /nfs/dbraw/zinc/67/91/28/606679128.db2.gz YBZLICGMZHZVOM-HIFRSBDPSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821242982 606679129 /nfs/dbraw/zinc/67/91/29/606679129.db2.gz YBZLICGMZHZVOM-HIFRSBDPSA-N 0 3 385.476 0.434 20 0 GCADHN C[NH+](C)C1CCN(CCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821583147 606689011 /nfs/dbraw/zinc/68/90/11/606689011.db2.gz KHIDHQHDDHIJNK-UHFFFAOYSA-N 0 3 379.415 0.901 20 0 GCADHN C[NH+](C)C1CCN(CCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821583147 606689012 /nfs/dbraw/zinc/68/90/12/606689012.db2.gz KHIDHQHDDHIJNK-UHFFFAOYSA-N 0 3 379.415 0.901 20 0 GCADHN C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857085 606701618 /nfs/dbraw/zinc/70/16/18/606701618.db2.gz OWPCPNIFASOWTO-SECBINFHSA-N 0 3 392.468 0.049 20 0 GCADHN C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857085 606701619 /nfs/dbraw/zinc/70/16/19/606701619.db2.gz OWPCPNIFASOWTO-SECBINFHSA-N 0 3 392.468 0.049 20 0 GCADHN C[C@H](C(=O)NCCc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857350 606701905 /nfs/dbraw/zinc/70/19/05/606701905.db2.gz ROCOSTREVZWJLJ-CYBMUJFWSA-N 0 3 397.487 0.784 20 0 GCADHN C[C@H](C(=O)NCCc1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857350 606701907 /nfs/dbraw/zinc/70/19/07/606701907.db2.gz ROCOSTREVZWJLJ-CYBMUJFWSA-N 0 3 397.487 0.784 20 0 GCADHN Fc1cccnc1N1CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000822796272 606733877 /nfs/dbraw/zinc/73/38/77/606733877.db2.gz ONBMVKFKQYSPFJ-VXGBXAGGSA-N 0 3 384.423 0.508 20 0 GCADHN Fc1cccnc1N1CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000822796272 606733878 /nfs/dbraw/zinc/73/38/78/606733878.db2.gz ONBMVKFKQYSPFJ-VXGBXAGGSA-N 0 3 384.423 0.508 20 0 GCADHN C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000821582894 606739819 /nfs/dbraw/zinc/73/98/19/606739819.db2.gz BCOLJMAIRNIFCU-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000821582894 606739820 /nfs/dbraw/zinc/73/98/20/606739820.db2.gz BCOLJMAIRNIFCU-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN O=C(CN1CCN(c2cc[nH+]cc2)CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822997549 606751422 /nfs/dbraw/zinc/75/14/22/606751422.db2.gz RTTOPLUOZAPWKO-UHFFFAOYSA-N 0 3 378.440 0.700 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820480672 606762798 /nfs/dbraw/zinc/76/27/98/606762798.db2.gz MMLXGBDFVFPEBY-NSHDSACASA-N 0 3 398.464 0.472 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820480672 606762799 /nfs/dbraw/zinc/76/27/99/606762799.db2.gz MMLXGBDFVFPEBY-NSHDSACASA-N 0 3 398.464 0.472 20 0 GCADHN C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C[C@H]1[NH+](C)C ZINC000820761005 606768974 /nfs/dbraw/zinc/76/89/74/606768974.db2.gz VIUBOKONKKNEOS-CZUORRHYSA-N 0 3 398.471 0.470 20 0 GCADHN C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C[C@H]1[NH+](C)C ZINC000820761005 606768977 /nfs/dbraw/zinc/76/89/77/606768977.db2.gz VIUBOKONKKNEOS-CZUORRHYSA-N 0 3 398.471 0.470 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000821932423 606774144 /nfs/dbraw/zinc/77/41/44/606774144.db2.gz LYSJUBWUPNXSND-SMDDNHRTSA-N 0 3 390.473 0.322 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000821932423 606774145 /nfs/dbraw/zinc/77/41/45/606774145.db2.gz LYSJUBWUPNXSND-SMDDNHRTSA-N 0 3 390.473 0.322 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000820752918 606810683 /nfs/dbraw/zinc/81/06/83/606810683.db2.gz UCYJZMPFXYFCPZ-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000820752918 606810685 /nfs/dbraw/zinc/81/06/85/606810685.db2.gz UCYJZMPFXYFCPZ-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000820752918 606810686 /nfs/dbraw/zinc/81/06/86/606810686.db2.gz UCYJZMPFXYFCPZ-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000820752918 606810688 /nfs/dbraw/zinc/81/06/88/606810688.db2.gz UCYJZMPFXYFCPZ-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000820753313 606810798 /nfs/dbraw/zinc/81/07/98/606810798.db2.gz XXODHZAHAQSDRS-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000820753313 606810800 /nfs/dbraw/zinc/81/08/00/606810800.db2.gz XXODHZAHAQSDRS-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000820753313 606810802 /nfs/dbraw/zinc/81/08/02/606810802.db2.gz XXODHZAHAQSDRS-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000820753313 606810804 /nfs/dbraw/zinc/81/08/04/606810804.db2.gz XXODHZAHAQSDRS-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)[C@@H](C)C1 ZINC000820752972 606810866 /nfs/dbraw/zinc/81/08/66/606810866.db2.gz VCAPCJRNKYBQOM-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)[C@@H](C)C1 ZINC000820752972 606810868 /nfs/dbraw/zinc/81/08/68/606810868.db2.gz VCAPCJRNKYBQOM-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)[C@@H](C)C1 ZINC000820752972 606810870 /nfs/dbraw/zinc/81/08/70/606810870.db2.gz VCAPCJRNKYBQOM-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)[C@@H](C)C1 ZINC000820752972 606810871 /nfs/dbraw/zinc/81/08/71/606810871.db2.gz VCAPCJRNKYBQOM-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN C[C@H]1CN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@H]1[NH+](C)C ZINC000820736232 606832895 /nfs/dbraw/zinc/83/28/95/606832895.db2.gz YFQXGCHYLMCWDK-XJKSGUPXSA-N 0 3 399.503 0.822 20 0 GCADHN C[C@H]1CN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C[C@H]1[NH+](C)C ZINC000820736232 606832897 /nfs/dbraw/zinc/83/28/97/606832897.db2.gz YFQXGCHYLMCWDK-XJKSGUPXSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820750380 606838615 /nfs/dbraw/zinc/83/86/15/606838615.db2.gz BDRIZLJCSXDKQN-YGRLFVJLSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820750380 606838616 /nfs/dbraw/zinc/83/86/16/606838616.db2.gz BDRIZLJCSXDKQN-YGRLFVJLSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820750380 606838617 /nfs/dbraw/zinc/83/86/17/606838617.db2.gz BDRIZLJCSXDKQN-YGRLFVJLSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820750380 606838618 /nfs/dbraw/zinc/83/86/18/606838618.db2.gz BDRIZLJCSXDKQN-YGRLFVJLSA-N 0 3 375.408 0.789 20 0 GCADHN C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000820420696 606843580 /nfs/dbraw/zinc/84/35/80/606843580.db2.gz VSDKSPFVOWYPLZ-BZNIZROVSA-N 0 3 388.453 0.898 20 0 GCADHN O[C@H](C[NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682949 606858506 /nfs/dbraw/zinc/85/85/06/606858506.db2.gz WIBZUKHBLGZALA-SJLPKXTDSA-N 0 3 390.513 0.698 20 0 GCADHN O[C@H](C[NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682949 606858507 /nfs/dbraw/zinc/85/85/07/606858507.db2.gz WIBZUKHBLGZALA-SJLPKXTDSA-N 0 3 390.513 0.698 20 0 GCADHN CCOC[C@H](O)CN1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821367449 606895813 /nfs/dbraw/zinc/89/58/13/606895813.db2.gz JXPANTGXCAWZFK-QGZVFWFLSA-N 0 3 390.488 0.651 20 0 GCADHN NC(=O)c1cc([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000822880322 606906606 /nfs/dbraw/zinc/90/66/06/606906606.db2.gz MPKCBKLHENHEGZ-XJKSGUPXSA-N 0 3 382.428 0.602 20 0 GCADHN NC(=O)c1cc([C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000822880322 606906608 /nfs/dbraw/zinc/90/66/08/606906608.db2.gz MPKCBKLHENHEGZ-XJKSGUPXSA-N 0 3 382.428 0.602 20 0 GCADHN CCc1nnc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821535798 606931000 /nfs/dbraw/zinc/93/10/00/606931000.db2.gz PJVLUUXRGLCANT-GFCCVEGCSA-N 0 3 387.492 0.781 20 0 GCADHN CCc1nnc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821535798 606931002 /nfs/dbraw/zinc/93/10/02/606931002.db2.gz PJVLUUXRGLCANT-GFCCVEGCSA-N 0 3 387.492 0.781 20 0 GCADHN CCc1nnc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821535798 606931004 /nfs/dbraw/zinc/93/10/04/606931004.db2.gz PJVLUUXRGLCANT-GFCCVEGCSA-N 0 3 387.492 0.781 20 0 GCADHN CCc1nnc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821535798 606931006 /nfs/dbraw/zinc/93/10/06/606931006.db2.gz PJVLUUXRGLCANT-GFCCVEGCSA-N 0 3 387.492 0.781 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@@H]2C)CC1 ZINC000819797022 606975475 /nfs/dbraw/zinc/97/54/75/606975475.db2.gz RNUKBWQVDXCHCQ-UGSOOPFHSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@@H]2C)CC1 ZINC000819797022 606975476 /nfs/dbraw/zinc/97/54/76/606975476.db2.gz RNUKBWQVDXCHCQ-UGSOOPFHSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)c(C)c3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000819797023 607027310 /nfs/dbraw/zinc/02/73/10/607027310.db2.gz ROXGRUSDBMZCSA-BLLLJJGKSA-N 0 3 399.503 0.652 20 0 GCADHN CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)c(C)c3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000819797023 607027312 /nfs/dbraw/zinc/02/73/12/607027312.db2.gz ROXGRUSDBMZCSA-BLLLJJGKSA-N 0 3 399.503 0.652 20 0 GCADHN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821623722 607035419 /nfs/dbraw/zinc/03/54/19/607035419.db2.gz REBYKMREVATMEV-VIFPVBQESA-N 0 3 382.881 0.719 20 0 GCADHN C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821623722 607035420 /nfs/dbraw/zinc/03/54/20/607035420.db2.gz REBYKMREVATMEV-VIFPVBQESA-N 0 3 382.881 0.719 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625710 607103314 /nfs/dbraw/zinc/10/33/14/607103314.db2.gz UNVKZRPKNCYHCH-UKRRQHHQSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625710 607103315 /nfs/dbraw/zinc/10/33/15/607103315.db2.gz UNVKZRPKNCYHCH-UKRRQHHQSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625710 607103316 /nfs/dbraw/zinc/10/33/16/607103316.db2.gz UNVKZRPKNCYHCH-UKRRQHHQSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625710 607103317 /nfs/dbraw/zinc/10/33/17/607103317.db2.gz UNVKZRPKNCYHCH-UKRRQHHQSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC[C@@H]21 ZINC000821625812 607159879 /nfs/dbraw/zinc/15/98/79/607159879.db2.gz WEDUYELSPQIBAL-HOTGVXAUSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC[C@@H]21 ZINC000821625812 607159880 /nfs/dbraw/zinc/15/98/80/607159880.db2.gz WEDUYELSPQIBAL-HOTGVXAUSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC[C@@H]21 ZINC000821625812 607159881 /nfs/dbraw/zinc/15/98/81/607159881.db2.gz WEDUYELSPQIBAL-HOTGVXAUSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC[C@@H]21 ZINC000821625812 607159882 /nfs/dbraw/zinc/15/98/82/607159882.db2.gz WEDUYELSPQIBAL-HOTGVXAUSA-N 0 3 383.456 0.539 20 0 GCADHN COC(=O)CC1([NH2+]CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000821658710 607176350 /nfs/dbraw/zinc/17/63/50/607176350.db2.gz GASCKYJOKGMSEN-UHFFFAOYSA-N 0 3 388.428 0.185 20 0 GCADHN C[NH+](C)C[C@@](C)(O)CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825856149 607776727 /nfs/dbraw/zinc/77/67/27/607776727.db2.gz PFXXBDMUSSPVFL-SFHVURJKSA-N 0 3 389.460 0.404 20 0 GCADHN C[NH+](C)C[C@@](C)(O)CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825856149 607776728 /nfs/dbraw/zinc/77/67/28/607776728.db2.gz PFXXBDMUSSPVFL-SFHVURJKSA-N 0 3 389.460 0.404 20 0 GCADHN O=S(=O)(CC[NH2+]C1CCC2(CC1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000826485303 607815657 /nfs/dbraw/zinc/81/56/57/607815657.db2.gz KRYFDEWNYLFLCF-UHFFFAOYSA-N 0 3 393.469 0.916 20 0 GCADHN O=S(=O)(CC[NH2+]C1CCC2(CC1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000826485303 607815658 /nfs/dbraw/zinc/81/56/58/607815658.db2.gz KRYFDEWNYLFLCF-UHFFFAOYSA-N 0 3 393.469 0.916 20 0 GCADHN O=S(=O)(CCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484993 607830241 /nfs/dbraw/zinc/83/02/41/607830241.db2.gz YDSVJRUGOMGTOC-UHFFFAOYSA-N 0 3 399.480 0.858 20 0 GCADHN COCC(=O)NC1CC[NH+](Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC1 ZINC000826148049 607921769 /nfs/dbraw/zinc/92/17/69/607921769.db2.gz WYCDCUHMCRCDJT-UHFFFAOYSA-N 0 3 388.428 0.380 20 0 GCADHN C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000824731751 607999105 /nfs/dbraw/zinc/99/91/05/607999105.db2.gz YGHFUCKKGXYCPS-CQSZACIVSA-N 0 3 388.472 0.939 20 0 GCADHN C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000824731751 607999106 /nfs/dbraw/zinc/99/91/06/607999106.db2.gz YGHFUCKKGXYCPS-CQSZACIVSA-N 0 3 388.472 0.939 20 0 GCADHN CC(C)C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)C(=O)NCC[NH+](C)C ZINC000824273975 608006057 /nfs/dbraw/zinc/00/60/57/608006057.db2.gz ABYWHMICKIZGOC-LBPRGKRZSA-N 0 3 379.490 0.751 20 0 GCADHN CC(C)C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)C(=O)NCC[NH+](C)C ZINC000824273975 608006058 /nfs/dbraw/zinc/00/60/58/608006058.db2.gz ABYWHMICKIZGOC-LBPRGKRZSA-N 0 3 379.490 0.751 20 0 GCADHN CN1C(=O)NC2(CC[NH+](CCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000826017672 608043576 /nfs/dbraw/zinc/04/35/76/608043576.db2.gz NAZNWXQADLFYTQ-UHFFFAOYSA-N 0 3 398.427 0.212 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nnn[n-]2)cn1 ZINC000826432037 608075994 /nfs/dbraw/zinc/07/59/94/608075994.db2.gz QGUAKIFVUMXSSB-DLBZAZTESA-N 0 3 393.451 0.875 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nnn[n-]2)cn1 ZINC000826432037 608075995 /nfs/dbraw/zinc/07/59/95/608075995.db2.gz QGUAKIFVUMXSSB-DLBZAZTESA-N 0 3 393.451 0.875 20 0 GCADHN CS[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000826226783 608088542 /nfs/dbraw/zinc/08/85/42/608088542.db2.gz GIPMKRQEUFMDTR-VXGBXAGGSA-N 0 3 379.490 0.992 20 0 GCADHN COc1ccc([C@H](CCO)[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000826188788 608112238 /nfs/dbraw/zinc/11/22/38/608112238.db2.gz GODIXJABUPZNSN-WBMJQRKESA-N 0 3 384.444 0.827 20 0 GCADHN COc1ccc([C@H](CCO)[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000826188788 608112239 /nfs/dbraw/zinc/11/22/39/608112239.db2.gz GODIXJABUPZNSN-WBMJQRKESA-N 0 3 384.444 0.827 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)CN(C)[C@H]2CCSC2)c1-c1nnn[n-]1 ZINC000826077742 608113894 /nfs/dbraw/zinc/11/38/94/608113894.db2.gz STCQWTMYUYACJU-JTQLQIEISA-N 0 3 379.494 0.118 20 0 GCADHN O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)CN1 ZINC000826479394 608170323 /nfs/dbraw/zinc/17/03/23/608170323.db2.gz XPORZHPOTNUYSN-UXLLHSPISA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)CN1 ZINC000826479394 608170324 /nfs/dbraw/zinc/17/03/24/608170324.db2.gz XPORZHPOTNUYSN-UXLLHSPISA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CN1 ZINC000826479394 608170327 /nfs/dbraw/zinc/17/03/27/608170327.db2.gz XPORZHPOTNUYSN-UXLLHSPISA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CN1 ZINC000826479394 608170328 /nfs/dbraw/zinc/17/03/28/608170328.db2.gz XPORZHPOTNUYSN-UXLLHSPISA-N 0 3 386.456 0.597 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC000824419650 608340177 /nfs/dbraw/zinc/34/01/77/608340177.db2.gz BBVOARAPQRAPRQ-NSHDSACASA-N 0 3 389.464 0.357 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826389593 608453906 /nfs/dbraw/zinc/45/39/06/608453906.db2.gz BZOOLKQBECFQID-INIZCTEOSA-N 0 3 398.471 0.219 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826389593 608453907 /nfs/dbraw/zinc/45/39/07/608453907.db2.gz BZOOLKQBECFQID-INIZCTEOSA-N 0 3 398.471 0.219 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825658867 608507066 /nfs/dbraw/zinc/50/70/66/608507066.db2.gz LDHRLUYGGBKEFD-GFCCVEGCSA-N 0 3 379.490 0.643 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)[NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825658867 608507068 /nfs/dbraw/zinc/50/70/68/608507068.db2.gz LDHRLUYGGBKEFD-GFCCVEGCSA-N 0 3 379.490 0.643 20 0 GCADHN O=S(=O)(CCN[C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)N1CCOCC1 ZINC000826485182 608520946 /nfs/dbraw/zinc/52/09/46/608520946.db2.gz GCGUMDBFZAXLNL-INIZCTEOSA-N 0 3 392.485 0.496 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3cc(-c4nnn[n-]4)cs3)C[C@@H]2C)CC1 ZINC000823980454 608747132 /nfs/dbraw/zinc/74/71/32/608747132.db2.gz DDVIKFBMAVXRFD-LRDDRELGSA-N 0 3 375.502 0.913 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](Cc3cc(-c4nnn[n-]4)cs3)C[C@@H]2C)CC1 ZINC000823980454 608747135 /nfs/dbraw/zinc/74/71/35/608747135.db2.gz DDVIKFBMAVXRFD-LRDDRELGSA-N 0 3 375.502 0.913 20 0 GCADHN COCCN(C)CCNC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1 ZINC000826157896 609153193 /nfs/dbraw/zinc/15/31/93/609153193.db2.gz QFMCACZNKOMUKN-UHFFFAOYSA-N 0 3 384.444 0.669 20 0 GCADHN NC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826391870 609169985 /nfs/dbraw/zinc/16/99/85/609169985.db2.gz FEPDLWGJBQYSGJ-OAHLLOKOSA-N 0 3 384.444 0.495 20 0 GCADHN C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000825856437 609203070 /nfs/dbraw/zinc/20/30/70/609203070.db2.gz WGYUYCSOSIIXIO-CVEARBPZSA-N 0 3 398.471 0.708 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825850840 609253473 /nfs/dbraw/zinc/25/34/73/609253473.db2.gz STNAHDNUPOHMFQ-VQHPVUNQSA-N 0 3 386.456 0.610 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825850840 609253475 /nfs/dbraw/zinc/25/34/75/609253475.db2.gz STNAHDNUPOHMFQ-VQHPVUNQSA-N 0 3 386.456 0.610 20 0 GCADHN C[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826023021 609265717 /nfs/dbraw/zinc/26/57/17/609265717.db2.gz VQTRRROHYBIDQM-INIZCTEOSA-N 0 3 383.456 0.820 20 0 GCADHN C[C@H](NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000824488205 609316628 /nfs/dbraw/zinc/31/66/28/609316628.db2.gz DJWRANMLUNLEAT-AWEZNQCLSA-N 0 3 397.487 0.744 20 0 GCADHN C[C@H](NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000824488205 609316630 /nfs/dbraw/zinc/31/66/30/609316630.db2.gz DJWRANMLUNLEAT-AWEZNQCLSA-N 0 3 397.487 0.744 20 0 GCADHN CN1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826028961 609608404 /nfs/dbraw/zinc/60/84/04/609608404.db2.gz LDJZBDPZLWBKSF-ZBFHGGJFSA-N 0 3 398.471 0.756 20 0 GCADHN C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826022424 609625443 /nfs/dbraw/zinc/62/54/43/609625443.db2.gz MUGYMWYEIVBIBN-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826022424 609625444 /nfs/dbraw/zinc/62/54/44/609625444.db2.gz MUGYMWYEIVBIBN-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000826021649 609625505 /nfs/dbraw/zinc/62/55/05/609625505.db2.gz BMOUSXJTXJPSME-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826021649 609625507 /nfs/dbraw/zinc/62/55/07/609625507.db2.gz BMOUSXJTXJPSME-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN Cn1cc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@H]2CO)c(Br)n1 ZINC000866842921 638430139 /nfs/dbraw/zinc/43/01/39/638430139.db2.gz GHWMHSBLXIWUOJ-NSHDSACASA-N 0 3 395.323 0.698 20 0 GCADHN Cn1cc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@H]2CO)c(Br)n1 ZINC000866842921 638430144 /nfs/dbraw/zinc/43/01/44/638430144.db2.gz GHWMHSBLXIWUOJ-NSHDSACASA-N 0 3 395.323 0.698 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC000891048579 638461118 /nfs/dbraw/zinc/46/11/18/638461118.db2.gz DBQYGPVEOVAGDJ-CQSZACIVSA-N 0 3 376.523 0.163 20 0 GCADHN C[C@@H]1CCC[C@@](CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)(N(C)C)C1 ZINC000892238031 638536163 /nfs/dbraw/zinc/53/61/63/638536163.db2.gz VXAUHRITIJGASC-BFYDXBDKSA-N 0 3 375.535 0.952 20 0 GCADHN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866874078 638540769 /nfs/dbraw/zinc/54/07/69/638540769.db2.gz KTOIEWZFHRWPAL-QMMMGPOBSA-N 0 3 386.259 0.643 20 0 GCADHN Cn1nc(Br)c2c1ncn(CC(=O)N[C@@H]1CCN(C3CC3)C1)c2=O ZINC000066078062 638580002 /nfs/dbraw/zinc/58/00/02/638580002.db2.gz NCYXEERDDQCUJS-SECBINFHSA-N 0 3 395.261 0.245 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000181444730 638592621 /nfs/dbraw/zinc/59/26/21/638592621.db2.gz LVYLASRMIMIPPE-LBPRGKRZSA-N 0 3 398.305 0.925 20 0 GCADHN COC[C@@]1(CN(C)C)COCCN1C(=O)Cc1c(Br)cnn1C ZINC000893225167 638615338 /nfs/dbraw/zinc/61/53/38/638615338.db2.gz GGPHUFXYZCPHBH-HNNXBMFYSA-N 0 3 389.294 0.531 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)Cc1c(Br)cnn1C ZINC000893225168 638615772 /nfs/dbraw/zinc/61/57/72/638615772.db2.gz GGPHUFXYZCPHBH-OAHLLOKOSA-N 0 3 389.294 0.531 20 0 GCADHN C[C@@H](CNCc1c(I)cnn1C)N1CCN(C)CC1 ZINC000894242449 638684842 /nfs/dbraw/zinc/68/48/42/638684842.db2.gz LTOKXMBPJYJSDP-NSHDSACASA-N 0 3 377.274 0.750 20 0 GCADHN CN(C)CCN1CCN(Cc2c(I)cnn2C)CC1=O ZINC000895133983 638731387 /nfs/dbraw/zinc/73/13/87/638731387.db2.gz SCWFWKLYPZDJOG-UHFFFAOYSA-N 0 3 391.257 0.231 20 0 GCADHN C[C@@H](O)C[C@H]1CCCN1CCS(=O)(=O)CCN1CCC[C@H]1C[C@H](C)O ZINC000179083589 639108208 /nfs/dbraw/zinc/10/82/08/639108208.db2.gz WKVKFPHOPAVVCD-USTZCAOPSA-N 0 3 376.563 0.872 20 0 GCADHN CN1CCN(CCNC(=O)c2c[nH]nc2I)CC1(C)C ZINC000897663643 639207373 /nfs/dbraw/zinc/20/73/73/639207373.db2.gz LVPXYIQJZJJVTL-UHFFFAOYSA-N 0 3 391.257 0.770 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]nc1I ZINC000898089190 639219781 /nfs/dbraw/zinc/21/97/81/639219781.db2.gz YFDRYGOTHLEGNC-QMMMGPOBSA-N 0 3 391.213 0.206 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nn2c(c1Br)CCC2 ZINC000898088247 639220089 /nfs/dbraw/zinc/22/00/89/639220089.db2.gz LWMLPGDNDDVETN-JTQLQIEISA-N 0 3 384.278 0.784 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@H]2CCCC[NH2+]C2)c1I ZINC000866768108 639231419 /nfs/dbraw/zinc/23/14/19/639231419.db2.gz ONPCVJKVDUELCM-MRVPVSSYSA-N 0 3 384.243 0.445 20 0 GCADHN CN(C)C[C@H]1NC(=O)N(CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1=O ZINC000924630426 639234016 /nfs/dbraw/zinc/23/40/16/639234016.db2.gz CSHUWFJXUFAMCD-SNVBAGLBSA-N 0 3 386.396 0.030 20 0 GCADHN C[N@H+](CCO)CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000899726294 639272387 /nfs/dbraw/zinc/27/23/87/639272387.db2.gz JZYJMGKFNSMGNA-UHFFFAOYSA-N 0 3 384.285 0.312 20 0 GCADHN C[N@@H+](CCO)CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000899726294 639272392 /nfs/dbraw/zinc/27/23/92/639272392.db2.gz JZYJMGKFNSMGNA-UHFFFAOYSA-N 0 3 384.285 0.312 20 0 GCADHN COc1ccc(C(=O)NCCN(C)CCO)c(I)c1 ZINC000899734317 639274578 /nfs/dbraw/zinc/27/45/78/639274578.db2.gz ACZAHESPQFKGAZ-UHFFFAOYSA-N 0 3 378.210 0.954 20 0 GCADHN Cn1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c(I)n1 ZINC000908202410 639444456 /nfs/dbraw/zinc/44/44/56/639444456.db2.gz OOPMPDAQVJPSTF-UWVGGRQHSA-N 0 3 390.225 0.306 20 0 GCADHN O=C(CNC(=O)c1c(Br)nc2n1CCC2)NCCN1CCCCC1 ZINC000909315206 639477317 /nfs/dbraw/zinc/47/73/17/639477317.db2.gz GCCHAHGACJIKTH-UHFFFAOYSA-N 0 3 398.305 0.924 20 0 GCADHN CN1CCC(N(CCO)C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000911934658 639525241 /nfs/dbraw/zinc/52/52/41/639525241.db2.gz ARGHXPUKIKTCBR-UHFFFAOYSA-N 0 3 389.543 0.369 20 0 GCADHN CN1CCC(N(CCO)C(=O)c2c[nH]nc2I)CC1 ZINC000911946729 639525498 /nfs/dbraw/zinc/52/54/98/639525498.db2.gz QESDVLYAZCGOFJ-UHFFFAOYSA-N 0 3 378.214 0.543 20 0 GCADHN CN1CCC(N(CCO)C(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC000911939741 639526047 /nfs/dbraw/zinc/52/60/47/639526047.db2.gz YMPPKUQTPSCQBT-UHFFFAOYSA-N 0 3 382.412 0.243 20 0 GCADHN CN1CCNC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000912039298 639527428 /nfs/dbraw/zinc/52/74/28/639527428.db2.gz BLEADJWEXXPHFH-NSHDSACASA-N 0 3 392.934 0.138 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000151547924 639644042 /nfs/dbraw/zinc/64/40/42/639644042.db2.gz SCEAVYLZJYVBQR-GFCCVEGCSA-N 0 3 398.305 0.925 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000151562387 639646302 /nfs/dbraw/zinc/64/63/02/639646302.db2.gz LHHIUPARHGUPJM-UHFFFAOYSA-N 0 3 398.305 0.926 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000914091235 639697887 /nfs/dbraw/zinc/69/78/87/639697887.db2.gz XNYHPBSIVHXROL-AWEZNQCLSA-N 0 3 376.523 0.810 20 0 GCADHN CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914147153 639702926 /nfs/dbraw/zinc/70/29/26/639702926.db2.gz JIHZSDNVPYNSLN-IRXDYDNUSA-N 0 3 378.535 0.536 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)c(OC)c1 ZINC000262787462 639884094 /nfs/dbraw/zinc/88/40/94/639884094.db2.gz QSKNHHLLEDGRJS-UHFFFAOYSA-N 0 3 389.499 0.655 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000919942030 639909902 /nfs/dbraw/zinc/90/99/02/639909902.db2.gz KWWYNCNPZWTENF-CABCVRRESA-N 0 3 376.523 0.858 20 0 GCADHN CN1CCN(CCCCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000920447575 639921280 /nfs/dbraw/zinc/92/12/80/639921280.db2.gz OESHRGVHLZBDBB-UHFFFAOYSA-N 0 3 388.921 0.745 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](C2OCCO2)C1 ZINC000921250749 639933088 /nfs/dbraw/zinc/93/30/88/639933088.db2.gz JSUOQYMQNAQGOI-VHSXEESVSA-N 0 3 375.365 0.895 20 0 GCADHN Cn1nc(Br)c2c1ncn(CC(=O)N1CCNC(C)(C)C1)c2=O ZINC000175405079 639949335 /nfs/dbraw/zinc/94/93/35/639949335.db2.gz DYQQDMGYYMHLSN-UHFFFAOYSA-N 0 3 383.250 0.103 20 0 GCADHN CC(C)[C@H](CNC(=O)NCCS(=O)(=O)C1CCOCC1)N1CCCC1 ZINC000838313196 640177562 /nfs/dbraw/zinc/17/75/62/640177562.db2.gz VEBZAHWFKJLYDY-INIZCTEOSA-N 0 3 375.535 1.000 20 0 GCADHN CCN(CC)CC(=O)N1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1 ZINC000103461793 640212705 /nfs/dbraw/zinc/21/27/05/640212705.db2.gz FAQZXLUTTSRZKF-UHFFFAOYSA-N 0 3 376.288 0.994 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000747232595 640306118 /nfs/dbraw/zinc/30/61/18/640306118.db2.gz ZYORBAYQXJOFJZ-CHWSQXEVSA-N 0 3 387.527 0.433 20 0 GCADHN O=C(CSc1n[n-]c(=S)s1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000747397008 640310938 /nfs/dbraw/zinc/31/09/38/640310938.db2.gz DHPPQQBDSJFXRE-NSHDSACASA-N 0 3 389.572 0.442 20 0 GCADHN O=C(CSc1n[n-]c(=S)s1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000747397008 640310939 /nfs/dbraw/zinc/31/09/39/640310939.db2.gz DHPPQQBDSJFXRE-NSHDSACASA-N 0 3 389.572 0.442 20 0 GCADHN CN1CCC(NC(=S)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000755720807 640473863 /nfs/dbraw/zinc/47/38/63/640473863.db2.gz HSWNOPVEISCOOU-UHFFFAOYSA-N 0 3 388.481 0.859 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000805158398 640519900 /nfs/dbraw/zinc/51/99/00/640519900.db2.gz YJJODXZMKVGNDI-CQSZACIVSA-N 0 3 389.587 0.957 20 0 GCADHN Cn1nc(Br)cc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000760226416 640566177 /nfs/dbraw/zinc/56/61/77/640566177.db2.gz VLFNJCDWQOVCGF-NSHDSACASA-N 0 3 384.278 0.737 20 0 GCADHN CN1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)C1 ZINC000762720773 640614804 /nfs/dbraw/zinc/61/48/04/640614804.db2.gz BHWYOGZZDBAQCY-INIZCTEOSA-N 0 3 387.889 0.531 20 0 GCADHN C[C@@H](CC(N)=O)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000763398719 640627940 /nfs/dbraw/zinc/62/79/40/640627940.db2.gz QPJFFXKYIQNQMJ-QWRGUYRKSA-N 0 3 377.488 0.327 20 0 GCADHN CN1C(=S)N=NC1Cc1csc(NC(=O)[C@H]2CN3CCN2CCC3)n1 ZINC000763607642 640631601 /nfs/dbraw/zinc/63/16/01/640631601.db2.gz UMGWOZVLFCMNTR-LLVKDONJSA-N 0 3 379.515 0.480 20 0 GCADHN C[C@H](NCCOCCO)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764625812 640651016 /nfs/dbraw/zinc/65/10/16/640651016.db2.gz LRKDHPPAPSDJQY-LBPRGKRZSA-N 0 3 380.488 0.072 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](NCCS(=O)(=O)N2CCSCC2)C1 ZINC000769392951 640772502 /nfs/dbraw/zinc/77/25/02/640772502.db2.gz QRAGDQZAHCVVDU-CYBMUJFWSA-N 0 3 379.548 0.964 20 0 GCADHN CCN(CCO)CCNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F ZINC000769635486 640778885 /nfs/dbraw/zinc/77/88/85/640778885.db2.gz LWCCTXWRSJLISW-UHFFFAOYSA-N 0 3 375.466 0.556 20 0 GCADHN CCN(CC)CCNS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000866373162 641295448 /nfs/dbraw/zinc/29/54/48/641295448.db2.gz VTIZTPBVYBXIEP-CQSZACIVSA-N 0 3 379.523 0.884 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000866435043 641299360 /nfs/dbraw/zinc/29/93/60/641299360.db2.gz HWTOJAXXQIGIOI-UHFFFAOYSA-N 0 3 375.516 0.581 20 0 GCADHN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000785796740 641317035 /nfs/dbraw/zinc/31/70/35/641317035.db2.gz SDZYQALEARDYLC-RYUDHWBXSA-N 0 3 389.499 0.013 20 0 GCADHN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000785796735 641317177 /nfs/dbraw/zinc/31/71/77/641317177.db2.gz SDZYQALEARDYLC-NWDGAFQWSA-N 0 3 389.499 0.013 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866732719 641320026 /nfs/dbraw/zinc/32/00/26/641320026.db2.gz QUXBOGWISCRMSL-UHFFFAOYSA-N 0 3 390.868 0.803 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]CC2)c1I ZINC000866760120 641325635 /nfs/dbraw/zinc/32/56/35/641325635.db2.gz GYIBGPRBPSJCGR-MRVPVSSYSA-N 0 3 384.243 0.445 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCC[NH2+]C2CC2)c1I ZINC000866768834 641328636 /nfs/dbraw/zinc/32/86/36/641328636.db2.gz XXGKQWNMSJPDQX-UHFFFAOYSA-N 0 3 384.243 0.445 20 0 GCADHN CC[C@@H]1[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866779070 641330948 /nfs/dbraw/zinc/33/09/48/641330948.db2.gz HJWNJEPEENBSNH-JGVFFNPUSA-N 0 3 384.243 0.444 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1I)C1CC[NH2+]CC1 ZINC000866809360 641336748 /nfs/dbraw/zinc/33/67/48/641336748.db2.gz IOSTUPBJGWZUGH-MRVPVSSYSA-N 0 3 398.270 0.691 20 0 GCADHN COCCC1([N-]S(=O)(=O)c2cnn(C)c2Br)CC[NH2+]CC1 ZINC000866825956 641339014 /nfs/dbraw/zinc/33/90/14/641339014.db2.gz RKRMMEQODBLFKK-UHFFFAOYSA-N 0 3 381.296 0.620 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867451159 641342452 /nfs/dbraw/zinc/34/24/52/641342452.db2.gz RVKHZQZFEMKVGF-SECBINFHSA-N 0 3 383.396 0.179 20 0 GCADHN Cn1ncc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c1Br ZINC000867534723 641352320 /nfs/dbraw/zinc/35/23/20/641352320.db2.gz ZAUZCONBPKJWBU-LLVKDONJSA-N 0 3 393.307 0.402 20 0 GCADHN CCOC(=O)[C@@H]1[C@H](NCCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000788646181 641373976 /nfs/dbraw/zinc/37/39/76/641373976.db2.gz JTEWNIXTGJURMG-OLZOCXBDSA-N 0 3 378.491 0.952 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCN1C1CCCCCC1 ZINC000867793185 641378821 /nfs/dbraw/zinc/37/88/21/641378821.db2.gz FCUSQJOPAJVJRV-OAHLLOKOSA-N 0 3 381.564 0.642 20 0 GCADHN O=S(=O)(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CCNCC1 ZINC000923606061 641417558 /nfs/dbraw/zinc/41/75/58/641417558.db2.gz VRHYTRFAPBRVOY-CYBMUJFWSA-N 0 3 389.319 0.767 20 0 GCADHN O=S(=O)(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)N1CCNCC1 ZINC000923611220 641424994 /nfs/dbraw/zinc/42/49/94/641424994.db2.gz AROLVTNNQOPFEH-GFCCVEGCSA-N 0 3 376.429 0.606 20 0 GCADHN COc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)N1CCNCC1 ZINC000923627960 641451685 /nfs/dbraw/zinc/45/16/85/641451685.db2.gz UXRLYYZTYIDOMG-UHFFFAOYSA-N 0 3 390.893 0.725 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc1Cl ZINC000123953887 641464855 /nfs/dbraw/zinc/46/48/55/641464855.db2.gz XIRKCMHIJXNKKP-UHFFFAOYSA-N 0 3 375.882 0.002 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000793813044 641474100 /nfs/dbraw/zinc/47/41/00/641474100.db2.gz GTZPPEHYAVREHD-QLFBSQMISA-N 0 3 387.571 0.709 20 0 GCADHN Cn1ncc(I)c1CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000873275650 641502442 /nfs/dbraw/zinc/50/24/42/641502442.db2.gz IQUBLSHXRMUCCT-OLZOCXBDSA-N 0 3 376.242 0.881 20 0 GCADHN O=C(NCc1ccc(Br)cn1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000875155677 641538531 /nfs/dbraw/zinc/53/85/31/641538531.db2.gz HBBGBUOAVNADKD-KBPBESRZSA-N 0 3 397.273 0.440 20 0 GCADHN CC(C)(C)OC(=O)N1[C@@H](CNCCN2CCCS2(=O)=O)COC1(C)C ZINC000877022100 641573465 /nfs/dbraw/zinc/57/34/65/641573465.db2.gz OZUSKIGMHIXKKQ-ZDUSSCGKSA-N 0 3 377.507 0.984 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1COc2cccc(Br)c2C1 ZINC000877259570 641577878 /nfs/dbraw/zinc/57/78/78/641577878.db2.gz MXZXIWTUGXLLEP-BONVTDFDSA-N 0 3 384.274 0.968 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1COc2cccc(Br)c2C1 ZINC000877259569 641577897 /nfs/dbraw/zinc/57/78/97/641577897.db2.gz MXZXIWTUGXLLEP-BMIGLBTASA-N 0 3 384.274 0.968 20 0 GCADHN CC(C)(C)OC(=O)N1[C@@H](CN[C@H]2CCN(S(C)(=O)=O)C2)COC1(C)C ZINC000877610538 641583328 /nfs/dbraw/zinc/58/33/28/641583328.db2.gz REFCFTPZDNBZBD-STQMWFEESA-N 0 3 377.507 0.982 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878049536 641588213 /nfs/dbraw/zinc/58/82/13/641588213.db2.gz KOIJMPJVBVRSFM-GFCCVEGCSA-N 0 3 387.278 0.711 20 0 GCADHN COC[C@H](NS(=O)(=O)N1CCNCC1)c1cccc(Br)c1 ZINC000923668861 641591726 /nfs/dbraw/zinc/59/17/26/641591726.db2.gz NIPVQFWNKIGIRX-ZDUSSCGKSA-N 0 3 378.292 0.876 20 0 GCADHN CC[C@H](Sc1nc(CC(=O)N[C@@H]2CCN(CCOC)C2)cs1)C(N)=O ZINC000878775303 641601466 /nfs/dbraw/zinc/60/14/66/641601466.db2.gz ZVSZYOXPBAHLJS-YPMHNXCESA-N 0 3 386.543 0.879 20 0 GCADHN COCCN(C(=O)CNC(C)(C)[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000879407846 641612864 /nfs/dbraw/zinc/61/28/64/641612864.db2.gz FIAJLFHPKGWCJS-LSDHHAIUSA-N 0 3 376.519 0.586 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H]2CSC[C@H]2C1)S(C)(=O)=O ZINC000879561177 641615396 /nfs/dbraw/zinc/61/53/96/641615396.db2.gz YJMIBTADLAJDMQ-HUUCEWRRSA-N 0 3 377.576 0.848 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCC[C@H](C(C)(C)O)C1)S(C)(=O)=O ZINC000879961583 641623375 /nfs/dbraw/zinc/62/33/75/641623375.db2.gz GMVWMORQQAEYTP-HNNXBMFYSA-N 0 3 377.551 0.646 20 0 GCADHN CCS(=O)(=O)NCCCN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879975207 641623900 /nfs/dbraw/zinc/62/39/00/641623900.db2.gz LDACZCGMIAEIKD-OAGGEKHMSA-N 0 3 375.535 0.448 20 0 GCADHN CCS(=O)(=O)NCCCN1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879975208 641624275 /nfs/dbraw/zinc/62/42/75/641624275.db2.gz LDACZCGMIAEIKD-OWCLPIDISA-N 0 3 375.535 0.448 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1nc2c(s1)CSCC2 ZINC000806903763 641657185 /nfs/dbraw/zinc/65/71/85/641657185.db2.gz TXUXWFQXYCYQGD-GHMZBOCLSA-N 0 3 382.511 0.850 20 0 GCADHN CCOCCC[N@@H+]1CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)[C@H](C)C1 ZINC000881904305 641667278 /nfs/dbraw/zinc/66/72/78/641667278.db2.gz LAQCXOQHYPFWJX-XXAQJILISA-N 0 3 384.568 0.532 20 0 GCADHN CCOCCC[N@H+]1CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)[C@H](C)C1 ZINC000881904305 641667279 /nfs/dbraw/zinc/66/72/79/641667279.db2.gz LAQCXOQHYPFWJX-XXAQJILISA-N 0 3 384.568 0.532 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000807454840 641667829 /nfs/dbraw/zinc/66/78/29/641667829.db2.gz VKBKVTZLUDOVRO-HZSPNIEDSA-N 0 3 375.560 0.567 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CO)CN2CCCC2)c1 ZINC000808220953 641682910 /nfs/dbraw/zinc/68/29/10/641682910.db2.gz BWFJAFBDADWQLE-NSHDSACASA-N 0 3 375.878 0.435 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCCS(=O)(=O)C(C)C)CC1 ZINC000808726714 641695107 /nfs/dbraw/zinc/69/51/07/641695107.db2.gz LPQZTXXLSASVJM-CQSZACIVSA-N 0 3 376.519 0.980 20 0 GCADHN C[C@H](CNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)CN1CCN(C)CC1 ZINC000883460408 641753174 /nfs/dbraw/zinc/75/31/74/641753174.db2.gz WJUXNLGCPRQBSU-GHMZBOCLSA-N 0 3 376.370 0.728 20 0 GCADHN COCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000884054416 641769920 /nfs/dbraw/zinc/76/99/20/641769920.db2.gz DNEWOTCPDDEKMZ-SNVBAGLBSA-N 0 3 381.907 0.598 20 0 GCADHN Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)NC[C@@H]1CNCCO1)C2 ZINC000884725780 641789308 /nfs/dbraw/zinc/78/93/08/641789308.db2.gz XTGKBBUXZPHBRD-ZDUSSCGKSA-N 0 3 396.285 0.747 20 0 GCADHN O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)C(=O)NC[C@@H]1CNCCO1 ZINC000884725349 641789448 /nfs/dbraw/zinc/78/94/48/641789448.db2.gz GBFKWZVJWBEAOK-JTQLQIEISA-N 0 3 380.754 0.475 20 0 GCADHN Cn1cc(S(=O)(=O)[N-]CC(=O)NCC[NH+]2CCCCCC2)nc1Cl ZINC000814282124 641806374 /nfs/dbraw/zinc/80/63/74/641806374.db2.gz ZRVUAOWMXSCCNQ-UHFFFAOYSA-N 0 3 377.898 0.344 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814383555 641808164 /nfs/dbraw/zinc/80/81/64/641808164.db2.gz ZOVLJGBPNRVJNK-UHFFFAOYSA-N 0 3 375.882 0.990 20 0 GCADHN CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCCN2CCCS2(=O)=O)C1 ZINC000886429016 641840975 /nfs/dbraw/zinc/84/09/75/641840975.db2.gz QHLBRXIALDHSHB-MRXNPFEDSA-N 0 3 377.507 0.374 20 0 GCADHN COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N[C@@H]1CNCCC1(F)F ZINC000886886417 641849578 /nfs/dbraw/zinc/84/95/78/641849578.db2.gz GWEFTSCUOFGMFC-CYBMUJFWSA-N 0 3 377.413 0.673 20 0 GCADHN CCN1CCN(CCCNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1 ZINC000816869416 641867108 /nfs/dbraw/zinc/86/71/08/641867108.db2.gz QJTJUSMCUGSNQF-UHFFFAOYSA-N 0 3 388.921 0.896 20 0 GCADHN O=C(Cn1ccc(Br)cc1=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889741754 641876594 /nfs/dbraw/zinc/87/65/94/641876594.db2.gz FPXRBYQWAMVUJF-ZIAGYGMSSA-N 0 3 384.274 0.668 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889767872 641878490 /nfs/dbraw/zinc/87/84/90/641878490.db2.gz BAHSTQTZLNTPMS-QLFBSQMISA-N 0 3 393.575 0.105 20 0 GCADHN CN(C[C@H](O)c1cccc(Br)c1)C(=O)C(=O)N1CCCNCC1 ZINC000817991290 641893629 /nfs/dbraw/zinc/89/36/29/641893629.db2.gz QDQXUMRBOAVZEP-AWEZNQCLSA-N 0 3 384.274 0.763 20 0 GCADHN CSc1ccc(OC[C@H](O)CNCCS(=O)(=O)N2CCOCC2)cc1 ZINC000818989825 641925604 /nfs/dbraw/zinc/92/56/04/641925604.db2.gz UVTUYFAUWCWNPH-CQSZACIVSA-N 0 3 390.527 0.400 20 0 GCADHN CCNS(=O)(=O)CCNC[C@@H](O)COc1ccc(Br)cc1 ZINC000819044045 641926460 /nfs/dbraw/zinc/92/64/60/641926460.db2.gz YKNWRTVQVBJOEW-GFCCVEGCSA-N 0 3 381.292 0.718 20 0 GCADHN CSc1nc2ccc(NC(=O)C(=O)N3CCNCCNCC3)cc2s1 ZINC000927877511 641938255 /nfs/dbraw/zinc/93/82/55/641938255.db2.gz WUCPIDQVTIPBRG-UHFFFAOYSA-N 0 3 379.511 0.978 20 0 GCADHN O=C(Nc1ccc(Br)c(C2CC2)n1)C(=O)N1CCNCCNCC1 ZINC000927882975 641938804 /nfs/dbraw/zinc/93/88/04/641938804.db2.gz KEXXTHQGMANQTK-UHFFFAOYSA-N 0 3 396.289 0.681 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[N@@H+]1C ZINC000928448598 641946508 /nfs/dbraw/zinc/94/65/08/641946508.db2.gz OLHRXLVZPMSOFU-BDAKNGLRSA-N 0 3 396.332 0.998 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[N@H+]1C ZINC000928448598 641946511 /nfs/dbraw/zinc/94/65/11/641946511.db2.gz OLHRXLVZPMSOFU-BDAKNGLRSA-N 0 3 396.332 0.998 20 0 GCADHN C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCN1C ZINC000928452105 641946520 /nfs/dbraw/zinc/94/65/20/641946520.db2.gz GZAPSHXAPFYGMO-GWCFXTLKSA-N 0 3 390.303 0.936 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CCN1C ZINC000928455457 641946695 /nfs/dbraw/zinc/94/66/95/641946695.db2.gz PMGDYSBYKUNXMU-MFKMUULPSA-N 0 3 390.303 0.936 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCN1C ZINC000928432459 641946717 /nfs/dbraw/zinc/94/67/17/641946717.db2.gz FKRROHIQWAEPME-KCJUWKMLSA-N 0 3 376.276 0.919 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCN1C ZINC000928443424 641946730 /nfs/dbraw/zinc/94/67/30/641946730.db2.gz YGLOGGBNXAQJQB-OCCSQVGLSA-N 0 3 387.527 0.520 20 0 GCADHN CC(=O)NC1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000929419668 641959051 /nfs/dbraw/zinc/95/90/51/641959051.db2.gz JFYBNCGXEYYESJ-OAHLLOKOSA-N 0 3 375.535 0.588 20 0 GCADHN CN1CCC(NC(=O)C2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 ZINC000929434881 641959408 /nfs/dbraw/zinc/95/94/08/641959408.db2.gz XIMVJELVVWJBQH-ZDUSSCGKSA-N 0 3 375.491 0.231 20 0 GCADHN CN(C)[C@@H](CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(F)(F)F ZINC000929465820 641959529 /nfs/dbraw/zinc/95/95/29/641959529.db2.gz YLHBKURCBCIQEK-FZMZJTMJSA-N 0 3 384.468 0.539 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCS[C@@H](C(F)(F)F)C1 ZINC000929879476 641964682 /nfs/dbraw/zinc/96/46/82/641964682.db2.gz AMQYUMZWHXWMBE-IJLUTSLNSA-N 0 3 381.420 0.472 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2sc(=S)[nH]c2C)CC1=O ZINC000820844929 641973734 /nfs/dbraw/zinc/97/37/34/641973734.db2.gz VAMZVYQKMDNUPI-GFCCVEGCSA-N 0 3 386.543 0.578 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000931397522 641987826 /nfs/dbraw/zinc/98/78/26/641987826.db2.gz WHESYUNJRFZEGK-INIZCTEOSA-N 0 3 377.507 0.190 20 0 GCADHN CN1CCN(CCCCNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1 ZINC000821842677 642000204 /nfs/dbraw/zinc/00/02/04/642000204.db2.gz NANDPCQOMPVRRG-UHFFFAOYSA-N 0 3 388.921 0.896 20 0 GCADHN COC(C)(C)[C@H](C)NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000932367498 642004290 /nfs/dbraw/zinc/00/42/90/642004290.db2.gz NMYWDYPVERPSQX-ZNMIVQPWSA-N 0 3 376.519 0.584 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(=O)n(C)cc1Br ZINC000935446650 642037131 /nfs/dbraw/zinc/03/71/31/642037131.db2.gz WAQUHSTXQKCTDA-LBPRGKRZSA-N 0 3 385.306 0.904 20 0 GCADHN CN1CCN(C2CCN(C(=O)Cn3cc(Br)ccc3=O)CC2)CC1 ZINC000827467261 642077207 /nfs/dbraw/zinc/07/72/07/642077207.db2.gz AHYLOGGXFDRXKU-UHFFFAOYSA-N 0 3 397.317 0.849 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C1CN(S(C)(=O)=O)C1 ZINC000900415017 642086630 /nfs/dbraw/zinc/08/66/30/642086630.db2.gz LTHDFKZLZBRDNF-UHFFFAOYSA-N 0 3 375.441 0.746 20 0 GCADHN CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867098772 642207309 /nfs/dbraw/zinc/20/73/09/642207309.db2.gz CNFBZRFWZFFLOI-UHFFFAOYSA-N 0 3 383.312 0.819 20 0 GCADHN O=C(NCCn1cc(Br)ccc1=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000836283950 642247349 /nfs/dbraw/zinc/24/73/49/642247349.db2.gz OXFYZVORHIWACQ-KGLIPLIRSA-N 0 3 399.289 0.773 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000867194656 642255755 /nfs/dbraw/zinc/25/57/55/642255755.db2.gz BNGMSZHCQOJDAY-UHFFFAOYSA-N 0 3 379.523 0.620 20 0 GCADHN COCCN(CCOC)C1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000867263199 642297328 /nfs/dbraw/zinc/29/73/28/642297328.db2.gz IDHKSLPCFBSXGB-UHFFFAOYSA-N 0 3 397.563 0.552 20 0 GCADHN C[C@H](C[N-]S(=O)(=O)c1cnn(C)c1I)C[NH+](C)C ZINC000867296517 642336088 /nfs/dbraw/zinc/33/60/88/642336088.db2.gz NUDSWZDCQFRNFA-MRVPVSSYSA-N 0 3 386.259 0.501 20 0 GCADHN COC[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CCC[NH2+]1 ZINC000842858361 642354681 /nfs/dbraw/zinc/35/46/81/642354681.db2.gz AMOZWBBOYHJCCE-AWEZNQCLSA-N 0 3 377.850 0.569 20 0 GCADHN C[C@@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CCO1 ZINC000843357628 642368416 /nfs/dbraw/zinc/36/84/16/642368416.db2.gz SWCZVORQDUEQFH-UTUOFQBUSA-N 0 3 390.893 0.367 20 0 GCADHN COCC[NH2+]CCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000843453038 642369659 /nfs/dbraw/zinc/36/96/59/642369659.db2.gz XJRPIOCEVZTDHM-UHFFFAOYSA-N 0 3 377.413 0.371 20 0 GCADHN C[C@@H](CC(=O)N[C@H](CC[NH3+])C(F)F)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843485043 642372929 /nfs/dbraw/zinc/37/29/29/642372929.db2.gz XYASAVOTDKJXRH-DTWKUNHWSA-N 0 3 384.836 0.891 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843496873 642373812 /nfs/dbraw/zinc/37/38/12/642373812.db2.gz CZFNOFIHZFPWGO-NSHDSACASA-N 0 3 382.467 0.016 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c(Cl)cc1Cl ZINC000844225914 642398255 /nfs/dbraw/zinc/39/82/55/642398255.db2.gz AKGIBXZTJUBXHG-UHFFFAOYSA-N 0 3 396.296 0.964 20 0 GCADHN CNS(=O)(=O)C1CCN(C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846802304 642499190 /nfs/dbraw/zinc/49/91/90/642499190.db2.gz GEEMBZSQMXWSCP-MRXNPFEDSA-N 0 3 377.507 0.372 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@](O)(CN2CCC[C@@H](CS(N)(=O)=O)C2)C1 ZINC000846811126 642499322 /nfs/dbraw/zinc/49/93/22/642499322.db2.gz JUCOLMCNQAIICB-CJNGLKHVSA-N 0 3 377.507 0.359 20 0 GCADHN CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CCC(S(N)(=O)=O)CC2)C1 ZINC000846837249 642500450 /nfs/dbraw/zinc/50/04/50/642500450.db2.gz LHWABSHSWOYYGL-MRXNPFEDSA-N 0 3 377.507 0.501 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](N2CCOC2=O)C1 ZINC000849437256 642657058 /nfs/dbraw/zinc/65/70/58/642657058.db2.gz FNRMGPVBZILOSB-VHSXEESVSA-N 0 3 388.364 0.727 20 0 GCADHN C[C@@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)N1[C@H](C)CC[C@H]1C ZINC000854832033 642852326 /nfs/dbraw/zinc/85/23/26/642852326.db2.gz KEFXUTLZEQDBTM-MCIONIFRSA-N 0 3 394.563 0.364 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCn3ncc(Br)c3C2)CC1=O ZINC000856010669 642908549 /nfs/dbraw/zinc/90/85/49/642908549.db2.gz LZQLDXOJYAWVJM-NSHDSACASA-N 0 3 384.278 0.398 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662946428 1192164725 /nfs/dbraw/zinc/16/47/25/1192164725.db2.gz SQQQLWRHSKFXIJ-CQSZACIVSA-N 0 3 386.391 0.175 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CNC(=O)NCc2ccc(Cl)cc2)n1 ZINC000662945410 1192165601 /nfs/dbraw/zinc/16/56/01/1192165601.db2.gz BFJWFKVSNWNOKV-UHFFFAOYSA-N 0 3 378.820 0.410 20 0 GCADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662946703 1192166157 /nfs/dbraw/zinc/16/61/57/1192166157.db2.gz XZHHKHFYCXMFIK-UHFFFAOYSA-N 0 3 385.428 0.494 20 0 GCADHN COc1ccc2c(c1)CCN(C(=O)C(=O)N1CCC[C@H](n3cc(CN)nn3)C1)C2 ZINC000662979715 1192174901 /nfs/dbraw/zinc/17/49/01/1192174901.db2.gz MQQGXXYROYKHAI-KRWDZBQOSA-N 0 3 398.467 0.494 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N(C)CCN2CCCCC2)cc1 ZINC000652292974 1192179505 /nfs/dbraw/zinc/17/95/05/1192179505.db2.gz RBVJFRLLRBOSLS-UHFFFAOYSA-N 0 3 376.457 0.694 20 0 GCADHN C[C@H](O)[C@H]1CCCN1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000661770954 1192180037 /nfs/dbraw/zinc/18/00/37/1192180037.db2.gz KSFXJISOBKRKLK-MAUKXSAKSA-N 0 3 392.475 0.754 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661880562 1192191623 /nfs/dbraw/zinc/19/16/23/1192191623.db2.gz PNRDEZKHOFMBII-ROUUACIJSA-N 0 3 380.533 0.500 20 0 GCADHN O=C(CN1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1)N1CCCC1 ZINC000661971645 1192208745 /nfs/dbraw/zinc/20/87/45/1192208745.db2.gz FETIDZUGCOYUIN-SFHVURJKSA-N 0 3 393.532 0.189 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000661975878 1192209280 /nfs/dbraw/zinc/20/92/80/1192209280.db2.gz OXZPBJJLSXFEBL-AEFFLSMTSA-N 0 3 395.548 0.482 20 0 GCADHN O=C(CN1CC[C@@H]2C[C@@H]2C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000661978386 1192209840 /nfs/dbraw/zinc/20/98/40/1192209840.db2.gz OQWXBZPSVGCYMY-MDZRGWNJSA-N 0 3 385.464 0.839 20 0 GCADHN O=C(NCCNS(=O)(=O)c1ccccc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661976747 1192209847 /nfs/dbraw/zinc/20/98/47/1192209847.db2.gz VRYXZFHNIZVTQN-MRXNPFEDSA-N 0 3 396.513 0.517 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000661980506 1192210997 /nfs/dbraw/zinc/21/09/97/1192210997.db2.gz IFPZIZCBDGYEMZ-UNEWFSDZSA-N 0 3 390.488 0.466 20 0 GCADHN Cn1cc(N2CCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2=O)cn1 ZINC000661982220 1192211269 /nfs/dbraw/zinc/21/12/69/1192211269.db2.gz WHXRNCGWWUOPNH-OAHLLOKOSA-N 0 3 376.461 0.032 20 0 GCADHN NS(=O)(=O)c1ccccc1CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661988421 1192211944 /nfs/dbraw/zinc/21/19/44/1192211944.db2.gz XQYOCCVMKKSAHS-HNNXBMFYSA-N 0 3 382.486 0.387 20 0 GCADHN COc1ccccc1CN(CCO)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652409335 1192216309 /nfs/dbraw/zinc/21/63/09/1192216309.db2.gz LSFVVNHLDNBQMH-UHFFFAOYSA-N 0 3 377.485 0.960 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@](C)(O)Cc2ccccc2)CC1=O ZINC000647721246 1192216438 /nfs/dbraw/zinc/21/64/38/1192216438.db2.gz PRINQVCMKFKTFN-YLJYHZDGSA-N 0 3 377.485 0.275 20 0 GCADHN CCOC(=O)[C@H]1CCCN(CC(=O)NC(C)(C)CN2CCN(CC)CC2)C1 ZINC000909397661 1192227032 /nfs/dbraw/zinc/22/70/32/1192227032.db2.gz ZMFMINPXTOHUGS-KRWDZBQOSA-N 0 3 382.549 0.794 20 0 GCADHN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652463023 1192227325 /nfs/dbraw/zinc/22/73/25/1192227325.db2.gz KYFRCOWHERSHDG-SJLPKXTDSA-N 0 3 386.496 0.623 20 0 GCADHN CCC[C@]1(COC)CCCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652479040 1192230238 /nfs/dbraw/zinc/23/02/38/1192230238.db2.gz GIIPANSKGFMCLT-LJQANCHMSA-N 0 3 382.505 0.027 20 0 GCADHN CNC(=O)C1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000408213658 1192261832 /nfs/dbraw/zinc/26/18/32/1192261832.db2.gz IFCANCVSFKCOLQ-GPANFISMSA-N 0 3 379.505 0.239 20 0 GCADHN CC(=O)NC[C@@H]1CCCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000636700003 1192269793 /nfs/dbraw/zinc/26/97/93/1192269793.db2.gz JADZVNKQYDQOKA-IRXDYDNUSA-N 0 3 381.521 0.629 20 0 GCADHN COCCOC[C@H](O)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CC2 ZINC001268046193 1192286243 /nfs/dbraw/zinc/28/62/43/1192286243.db2.gz SLGQHPICJLTECA-TVFCKZIOSA-N 0 3 382.501 0.502 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc4c3CNC4)CC2)cc1 ZINC000662386539 1192288036 /nfs/dbraw/zinc/28/80/36/1192288036.db2.gz CAOBNSIWEHAFJW-UHFFFAOYSA-N 0 3 386.477 0.900 20 0 GCADHN COc1ccccc1CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000162227954 1192291158 /nfs/dbraw/zinc/29/11/58/1192291158.db2.gz OTEDHJRVPJEECF-GOSISDBHSA-N 0 3 388.512 0.592 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000162357059 1192293605 /nfs/dbraw/zinc/29/36/05/1192293605.db2.gz CZTIBPSFWKTBIY-KRWDZBQOSA-N 0 3 380.439 0.819 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3cccc4c3CNC4)CC2)cn1 ZINC000662470768 1192301799 /nfs/dbraw/zinc/30/17/99/1192301799.db2.gz DBBJCCBYAYQYQU-UHFFFAOYSA-N 0 3 389.481 0.606 20 0 GCADHN Cc1nc(CN2CCC(CNC(=O)NCCN3CC[C@@H](O)C3)CC2)oc1C ZINC000636773029 1192303253 /nfs/dbraw/zinc/30/32/53/1192303253.db2.gz PPMBZWIKUBWAPA-QGZVFWFLSA-N 0 3 379.505 0.869 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000980124373 1192307347 /nfs/dbraw/zinc/30/73/47/1192307347.db2.gz DZUNIXLILKUZHD-QHLBIMPKSA-N 0 3 376.457 0.323 20 0 GCADHN CN1CCN(CCCCNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000605985221 1192309266 /nfs/dbraw/zinc/30/92/66/1192309266.db2.gz GMCSBJMIQXWWKE-UHFFFAOYSA-N 0 3 377.493 0.311 20 0 GCADHN CNC(=O)NC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(N(C)C)CCC1)C2 ZINC001719835923 1192313247 /nfs/dbraw/zinc/31/32/47/1192313247.db2.gz YXYPKQMVEGYFQO-RDBSUJKOSA-N 0 3 379.505 0.426 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(C(=O)OC)cc2OC)CC1 ZINC000278885048 1192328244 /nfs/dbraw/zinc/32/82/44/1192328244.db2.gz STZFOSKDNXVFTG-UHFFFAOYSA-N 0 3 385.486 0.398 20 0 GCADHN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000165465810 1192326211 /nfs/dbraw/zinc/32/62/11/1192326211.db2.gz FKQILONNPINQMV-RHSMWYFYSA-N 0 3 378.448 0.675 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000663434856 1192335848 /nfs/dbraw/zinc/33/58/48/1192335848.db2.gz ODSCEBKEGPFCMU-UHFFFAOYSA-N 0 3 397.564 0.683 20 0 GCADHN C[C@@H](CNC(=O)CCc1ccc(S(N)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000603897040 1192335932 /nfs/dbraw/zinc/33/59/32/1192335932.db2.gz YRCOIXDGPVUUGW-HNNXBMFYSA-N 0 3 382.530 0.266 20 0 GCADHN O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000623069363 1192339268 /nfs/dbraw/zinc/33/92/68/1192339268.db2.gz CIGIEFPVPZDKAN-GFCCVEGCSA-N 0 3 385.346 0.528 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000728880843 1192351564 /nfs/dbraw/zinc/35/15/64/1192351564.db2.gz IYFOMCUTPJECDK-UHFFFAOYSA-N 0 3 384.484 0.822 20 0 GCADHN C[C@H](CNCC(=O)NC(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268074960 1192356016 /nfs/dbraw/zinc/35/60/16/1192356016.db2.gz NHTFBWITYVLFGV-ORIJERBGSA-N 0 3 382.505 0.862 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOC3(CNC3)C2)C(C)C)cc1 ZINC000663485228 1192356044 /nfs/dbraw/zinc/35/60/44/1192356044.db2.gz NYYPIOAVJXKVFU-INIZCTEOSA-N 0 3 397.497 0.199 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCCOc3ccccc3)C2)CC1 ZINC000585684060 1192366858 /nfs/dbraw/zinc/36/68/58/1192366858.db2.gz REUOAIFPTYMPAY-SFHVURJKSA-N 0 3 388.512 0.809 20 0 GCADHN O=C(NC[C@@H]1CCCN1CC(F)F)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000637020055 1192367575 /nfs/dbraw/zinc/36/75/75/1192367575.db2.gz RRKSALHJJPTCPH-LSDHHAIUSA-N 0 3 388.459 0.202 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C2 ZINC001719842655 1192369595 /nfs/dbraw/zinc/36/95/95/1192369595.db2.gz HFGDUDUNUJBTTH-FZKCQIBNSA-N 0 3 378.517 0.833 20 0 GCADHN Cc1nc(CNC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cs1 ZINC000585695326 1192373766 /nfs/dbraw/zinc/37/37/66/1192373766.db2.gz BJLBZPFHTDCFSU-INIZCTEOSA-N 0 3 379.530 0.695 20 0 GCADHN NS(=O)(=O)c1ccc2onc(N3CCN(C(=O)CN4CCCC4)CC3)c2c1 ZINC000663539458 1192378699 /nfs/dbraw/zinc/37/86/99/1192378699.db2.gz OREUPTMEAMZKPM-UHFFFAOYSA-N 0 3 393.469 0.220 20 0 GCADHN O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000637085157 1192381868 /nfs/dbraw/zinc/38/18/68/1192381868.db2.gz ALXJJPGSJURECX-QZTJIDSGSA-N 0 3 378.542 0.970 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCN1C(=O)CNC1=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001028037523 1192390306 /nfs/dbraw/zinc/39/03/06/1192390306.db2.gz ZSERPEBQIIPMFO-QBYUYEEZSA-N 0 3 378.473 0.324 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCN1CCCC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001028046025 1192395227 /nfs/dbraw/zinc/39/52/27/1192395227.db2.gz WTRXAMMLMPRWPS-MJQMVNBJSA-N 0 3 379.501 0.631 20 0 GCADHN Cc1c(NC[C@@H]2CN(C)CCN2C)ncnc1NC[C@@H]1CN(C)CCN1C ZINC000663589535 1192405911 /nfs/dbraw/zinc/40/59/11/1192405911.db2.gz DUKBDRACXJZYGM-IAGOWNOFSA-N 0 3 376.553 0.100 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000585777657 1192408822 /nfs/dbraw/zinc/40/88/22/1192408822.db2.gz URQRTRYDAPPAMY-OAGGEKHMSA-N 0 3 397.516 0.792 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CCC[C@H](C(C)(C)C(=O)OC)C2)CC1 ZINC000585775180 1192410010 /nfs/dbraw/zinc/41/00/10/1192410010.db2.gz PLOCVHQVTXWZGD-HNNXBMFYSA-N 0 3 397.516 0.651 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000153218803 1192412731 /nfs/dbraw/zinc/41/27/31/1192412731.db2.gz NANYKBCLMIZJGF-IAGOWNOFSA-N 0 3 386.500 0.608 20 0 GCADHN CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCN1C ZINC001719850320 1192416811 /nfs/dbraw/zinc/41/68/11/1192416811.db2.gz QMGRIEZZNNKAOX-MDMSPXHWSA-N 0 3 378.517 0.880 20 0 GCADHN CC1CCN(CCNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC000663631626 1192428643 /nfs/dbraw/zinc/42/86/43/1192428643.db2.gz ZGAINYCRHIJVKE-UHFFFAOYSA-N 0 3 384.506 0.158 20 0 GCADHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NC[C@@]2(O)CCN(C)C2)s1 ZINC000512080939 1192430645 /nfs/dbraw/zinc/43/06/45/1192430645.db2.gz GEMMMBXSSHASBZ-GDLVEWKHSA-N 0 3 384.506 0.429 20 0 GCADHN O=C(C[C@H]1CNCCO1)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000166849857 1192425885 /nfs/dbraw/zinc/42/58/85/1192425885.db2.gz DBSPOGUGDAHIEN-INIZCTEOSA-N 0 3 380.876 0.483 20 0 GCADHN CC(C)c1nnc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)s1 ZINC000512085702 1192432538 /nfs/dbraw/zinc/43/25/38/1192432538.db2.gz YJPGOLDNFQPLTP-CYBMUJFWSA-N 0 3 383.518 0.847 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 ZINC000637203175 1192433709 /nfs/dbraw/zinc/43/37/09/1192433709.db2.gz PGUGEKLZDUCKSM-QWRGUYRKSA-N 0 3 376.383 0.487 20 0 GCADHN CC(C)CN1CCN(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000049969922 1192434866 /nfs/dbraw/zinc/43/48/66/1192434866.db2.gz FGHHXZHEWYYSOQ-UHFFFAOYSA-N 0 3 379.505 0.792 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000606135842 1192443537 /nfs/dbraw/zinc/44/35/37/1192443537.db2.gz YYXPENUUARAZCI-UHFFFAOYSA-N 0 3 384.427 0.410 20 0 GCADHN CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000663646257 1192444567 /nfs/dbraw/zinc/44/45/67/1192444567.db2.gz BRVARIUMAMGAAQ-HOTGVXAUSA-N 0 3 384.502 0.190 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000279067461 1192453344 /nfs/dbraw/zinc/45/33/44/1192453344.db2.gz QOUAJKLKGAHMJR-QGZVFWFLSA-N 0 3 397.483 0.715 20 0 GCADHN COc1ccc(COC[C@H](O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000279140457 1192472800 /nfs/dbraw/zinc/47/28/00/1192472800.db2.gz XKUKATVKDHDNQN-KUHUBIRLSA-N 0 3 393.440 0.255 20 0 GCADHN O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CC2(C1)CCCN(CCN1CCNC1=O)C2 ZINC000981899322 1192502480 /nfs/dbraw/zinc/50/24/80/1192502480.db2.gz CPMRCRMMZMHMBT-YESZJQIVSA-N 0 3 376.501 0.751 20 0 GCADHN Cc1cc(C)nc(SCC(=O)NCCCCN2CCN(CCO)CC2)n1 ZINC000432522394 1192507536 /nfs/dbraw/zinc/50/75/36/1192507536.db2.gz FNXQGESGSQFUKC-UHFFFAOYSA-N 0 3 381.546 0.692 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2noc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000663723388 1192514593 /nfs/dbraw/zinc/51/45/93/1192514593.db2.gz XEMOBJJFGIJHNP-CQSZACIVSA-N 0 3 393.469 0.218 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)CC1 ZINC000663722759 1192515451 /nfs/dbraw/zinc/51/54/51/1192515451.db2.gz LNSGADZGJRAGPJ-INIZCTEOSA-N 0 3 388.516 0.571 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2nnc(C3CC3)n2C[C@H]2CCOC2)CC1 ZINC000549652169 1192517169 /nfs/dbraw/zinc/51/71/69/1192517169.db2.gz WJKHEOSOUHKLGV-MRXNPFEDSA-N 0 3 388.516 0.936 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)NCC3CN(S(C)(=O)=O)C3)CC2)c1 ZINC000187318539 1192524078 /nfs/dbraw/zinc/52/40/78/1192524078.db2.gz BUURKWMENHQLTO-UHFFFAOYSA-N 0 3 394.541 0.515 20 0 GCADHN COCc1noc(CN2CCN(C(=O)NCCN3CCC(C)CC3)CC2)n1 ZINC000187398064 1192527254 /nfs/dbraw/zinc/52/72/54/1192527254.db2.gz HIRHWAVYEXSZMA-UHFFFAOYSA-N 0 3 380.493 0.775 20 0 GCADHN O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279342115 1192527372 /nfs/dbraw/zinc/52/73/72/1192527372.db2.gz BSRKFFSLRYFGIN-FQEVSTJZSA-N 0 3 385.468 0.399 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000663755368 1192536292 /nfs/dbraw/zinc/53/62/92/1192536292.db2.gz QSJUORCNCQBHCL-UHFFFAOYSA-N 0 3 398.529 0.393 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)C[C@@H]1O ZINC000663757801 1192543977 /nfs/dbraw/zinc/54/39/77/1192543977.db2.gz UOSYEJNZBGPTFB-ROUUACIJSA-N 0 3 390.484 0.203 20 0 GCADHN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000432541607 1192547706 /nfs/dbraw/zinc/54/77/06/1192547706.db2.gz KHQBBMOOPNMVPJ-MOPGFXCFSA-N 0 3 396.576 0.777 20 0 GCADHN Cc1noc2nc(C)cc(C(=O)NCCCCN3CCN(CCO)CC3)c12 ZINC000432546455 1192549414 /nfs/dbraw/zinc/54/94/14/1192549414.db2.gz NWNMXEPHFCMZOM-UHFFFAOYSA-N 0 3 375.473 0.960 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCc3ccccc3C2=O)CC1 ZINC000279571662 1192557976 /nfs/dbraw/zinc/55/79/76/1192557976.db2.gz VYVSFPWMURIJMT-SFHVURJKSA-N 0 3 384.480 0.450 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000728905838 1192562352 /nfs/dbraw/zinc/56/23/52/1192562352.db2.gz YHZDNFHQUYIAGC-UHFFFAOYSA-N 0 3 393.532 0.931 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1)N1CCCCC1 ZINC000982145080 1192584596 /nfs/dbraw/zinc/58/45/96/1192584596.db2.gz VHJMPNYLBAKRBX-JJXSEGSLSA-N 0 3 378.517 0.773 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000982147384 1192585795 /nfs/dbraw/zinc/58/57/95/1192585795.db2.gz KFRSEOHTEBKCNF-VVLHAWIVSA-N 0 3 392.544 0.986 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000509739026 1192610250 /nfs/dbraw/zinc/61/02/50/1192610250.db2.gz SKJXTYJJCQGDJM-XDNAFOTISA-N 0 3 383.533 0.859 20 0 GCADHN O=C(CN1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1)N1CCCC1 ZINC000418631630 1192620677 /nfs/dbraw/zinc/62/06/77/1192620677.db2.gz GWVYHMDSDCECCX-LJQANCHMSA-N 0 3 385.512 0.823 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418637345 1192622927 /nfs/dbraw/zinc/62/29/27/1192622927.db2.gz NINRVOVZLWQGNP-XEZPLFJOSA-N 0 3 376.457 0.629 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1=O ZINC000500483677 1192626278 /nfs/dbraw/zinc/62/62/78/1192626278.db2.gz GZXOCWTYNMZVMZ-OAHLLOKOSA-N 0 3 381.473 0.302 20 0 GCADHN CN(C(=O)C(=O)NCCC(C)(C)O)C1CCN(CCc2ccccn2)CC1 ZINC000512357788 1192631323 /nfs/dbraw/zinc/63/13/23/1192631323.db2.gz YQWPGIUTUWYTDT-UHFFFAOYSA-N 0 3 376.501 0.824 20 0 GCADHN COc1ccnc(N2CCC(C(=O)N[C@@H](CO)CN3CCCCC3)CC2)n1 ZINC000512370723 1192636054 /nfs/dbraw/zinc/63/60/54/1192636054.db2.gz WLOPQYTWNUHFGE-MRXNPFEDSA-N 0 3 377.489 0.665 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cnn(CC(C)C)c2C)CC1 ZINC000500521624 1192637485 /nfs/dbraw/zinc/63/74/85/1192637485.db2.gz UGWPMXGSTQZBEC-OAHLLOKOSA-N 0 3 378.521 0.928 20 0 GCADHN COc1cccc(OCCN2CCN(C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000418755504 1192639612 /nfs/dbraw/zinc/63/96/12/1192639612.db2.gz BVRLFNKZHYVWGR-GOSISDBHSA-N 0 3 378.473 0.390 20 0 GCADHN CCOC(=O)c1ccn(-c2cccc(CNC(=O)NC[C@H]3CNCCO3)c2)n1 ZINC000418770460 1192641849 /nfs/dbraw/zinc/64/18/49/1192641849.db2.gz QQNJPPAGBDOQNU-MRXNPFEDSA-N 0 3 387.440 0.837 20 0 GCADHN O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)NC[C@@H]1CNCCO1 ZINC000418777212 1192643056 /nfs/dbraw/zinc/64/30/56/1192643056.db2.gz YGYQCUOHKPFCCG-OCCSQVGLSA-N 0 3 377.363 0.733 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000418797095 1192646966 /nfs/dbraw/zinc/64/69/66/1192646966.db2.gz UBVFTTALERIFMC-ZIAGYGMSSA-N 0 3 380.876 0.530 20 0 GCADHN CC1(C)CN(C(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)CCN1 ZINC000418795664 1192647027 /nfs/dbraw/zinc/64/70/27/1192647027.db2.gz CSBZXOUCUCWLBG-UHFFFAOYSA-N 0 3 380.533 0.596 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000418812876 1192652933 /nfs/dbraw/zinc/65/29/33/1192652933.db2.gz CDOVXGPBNUPEQQ-KBXIAJHMSA-N 0 3 380.489 0.123 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCCNCC2)c(OC[C@@H]2CCCO2)c1 ZINC000418817876 1192655213 /nfs/dbraw/zinc/65/52/13/1192655213.db2.gz SMMUPSUICJOVCJ-KRWDZBQOSA-N 0 3 375.469 0.991 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)c(OC[C@H]2CCCO2)c1 ZINC000418822436 1192656355 /nfs/dbraw/zinc/65/63/55/1192656355.db2.gz YEASQYDJEBDUJQ-SJORKVTESA-N 0 3 391.468 0.274 20 0 GCADHN COc1ccc([C@@H](CNC(=O)C(=O)N2CCN[C@H](C)C2)N(C)C)cc1OC ZINC000418828449 1192658170 /nfs/dbraw/zinc/65/81/70/1192658170.db2.gz HYXYLLMDWQUSDJ-UKRRQHHQSA-N 0 3 378.473 0.243 20 0 GCADHN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cn1 ZINC000432750990 1192662734 /nfs/dbraw/zinc/66/27/34/1192662734.db2.gz QPCLQGXXCQXEDA-UWWQBHOKSA-N 0 3 377.489 0.649 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2CCNC[C@H]2C)N(C)C)cc1OC ZINC000418836192 1192660930 /nfs/dbraw/zinc/66/09/30/1192660930.db2.gz QTNQPMYYCDNCGK-HIFRSBDPSA-N 0 3 378.473 0.243 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C[C@H](C)N1 ZINC000418837591 1192662799 /nfs/dbraw/zinc/66/27/99/1192662799.db2.gz AWMXPPMXZIEUNO-HDICACEKSA-N 0 3 387.528 0.129 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](C)N[C@@H](C)C2)N(C)C)cc1OC ZINC000418841976 1192663274 /nfs/dbraw/zinc/66/32/74/1192663274.db2.gz ZKQVKTKVDOSVQB-DZKIICNBSA-N 0 3 392.500 0.632 20 0 GCADHN Cc1nc(CN2CCC(CNC(=O)C(=O)N3C[C@H](C)NC[C@H]3C)CC2)oc1C ZINC000418851929 1192665823 /nfs/dbraw/zinc/66/58/23/1192665823.db2.gz GIGRSCLLZWGTHZ-UONOGXRCSA-N 0 3 391.516 0.828 20 0 GCADHN CC(C)C[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)ccn1 ZINC000418856284 1192667428 /nfs/dbraw/zinc/66/74/28/1192667428.db2.gz OUJMIHUUHDZLKO-HOCLYGCPSA-N 0 3 378.473 0.616 20 0 GCADHN CC(C)C[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H]2CNCCO2)ccn1 ZINC000418856283 1192667461 /nfs/dbraw/zinc/66/74/61/1192667461.db2.gz OUJMIHUUHDZLKO-GOEBONIOSA-N 0 3 378.473 0.616 20 0 GCADHN CCc1nc(CN2CCC(CNC(=O)C(=O)N3CCCNCC3)CC2)cs1 ZINC000418859985 1192670449 /nfs/dbraw/zinc/67/04/49/1192670449.db2.gz YZAFGBJJYZBUER-UHFFFAOYSA-N 0 3 393.557 0.856 20 0 GCADHN CN(CCCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)c1ccccc1 ZINC000418869444 1192672958 /nfs/dbraw/zinc/67/29/58/1192672958.db2.gz XHBJKNOKGXNXPN-GOSISDBHSA-N 0 3 399.499 0.543 20 0 GCADHN CCc1nc2cc(CNC(=O)C(=O)NC[C@@H]3CNCCO3)ccc2n1C1CC1 ZINC000418887157 1192676909 /nfs/dbraw/zinc/67/69/09/1192676909.db2.gz APLUKNZULRRERM-HNNXBMFYSA-N 0 3 385.468 0.654 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCSc3ccccc3)C2)nn1 ZINC000418917976 1192689601 /nfs/dbraw/zinc/68/96/01/1192689601.db2.gz UTCFABFWRZQEFR-HNNXBMFYSA-N 0 3 388.497 0.809 20 0 GCADHN O=C(NCc1ccccc1OCC(F)(F)F)C(=O)NC[C@@H]1CNCCO1 ZINC000418927814 1192694096 /nfs/dbraw/zinc/69/40/96/1192694096.db2.gz VZBRRXXVTBUUNU-LBPRGKRZSA-N 0 3 375.347 0.349 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000663832049 1192698318 /nfs/dbraw/zinc/69/83/18/1192698318.db2.gz YGWYLTJXPCGHPG-OAHLLOKOSA-N 0 3 375.473 0.453 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000418946285 1192698673 /nfs/dbraw/zinc/69/86/73/1192698673.db2.gz LEUFDNSJCHZCPF-YOEHRIQHSA-N 0 3 375.425 0.130 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000663832048 1192698694 /nfs/dbraw/zinc/69/86/94/1192698694.db2.gz YGWYLTJXPCGHPG-HNNXBMFYSA-N 0 3 375.473 0.453 20 0 GCADHN O=C(NCc1nc(-c2ccccc2F)cs1)C(=O)NC[C@H]1CNCCO1 ZINC000418963619 1192703515 /nfs/dbraw/zinc/70/35/15/1192703515.db2.gz IIWSEBLIPPCLRY-LLVKDONJSA-N 0 3 378.429 0.670 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000418973250 1192706081 /nfs/dbraw/zinc/70/60/81/1192706081.db2.gz QGPVXHRXAYSFNA-WCQYABFASA-N 0 3 375.429 0.087 20 0 GCADHN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418970168 1192706891 /nfs/dbraw/zinc/70/68/91/1192706891.db2.gz WKVVBWXVQSWGDE-BBRMVZONSA-N 0 3 381.448 0.840 20 0 GCADHN COc1ccccc1C1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CCCC1 ZINC000419014162 1192720280 /nfs/dbraw/zinc/72/02/80/1192720280.db2.gz CJDCOLHLTAKWTK-HNNXBMFYSA-N 0 3 375.469 0.728 20 0 GCADHN COc1ccc(OCCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419020287 1192721941 /nfs/dbraw/zinc/72/19/41/1192721941.db2.gz WTJUAJCMYJQSDR-CJNGLKHVSA-N 0 3 379.457 0.810 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000419019824 1192722498 /nfs/dbraw/zinc/72/24/98/1192722498.db2.gz DYHOOQLSTVXKIR-DOMZBBRYSA-N 0 3 389.431 0.857 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419023100 1192724167 /nfs/dbraw/zinc/72/41/67/1192724167.db2.gz JBIJCHNGOYNTSV-UHFFFAOYSA-N 0 3 396.513 0.154 20 0 GCADHN N[C@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)c1ccccc1 ZINC000419029123 1192729756 /nfs/dbraw/zinc/72/97/56/1192729756.db2.gz YBZHVTFQSXWXIP-VQIMIIECSA-N 0 3 392.525 0.127 20 0 GCADHN COc1cccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)c1OC1CCCC1 ZINC000419031873 1192731523 /nfs/dbraw/zinc/73/15/23/1192731523.db2.gz JGCGJBDDJQOTAC-INIZCTEOSA-N 0 3 391.468 0.737 20 0 GCADHN COCCOC(=O)c1sc2[n-]c(CN3C[C@@H]4C[NH2+]C[C@H]4C3)nc(=O)c2c1C ZINC000728914005 1192737408 /nfs/dbraw/zinc/73/74/08/1192737408.db2.gz KYYRTSOTZLUNKP-RYUDHWBXSA-N 0 3 392.481 0.747 20 0 GCADHN O=C(NCc1csc(CCc2ccccc2)n1)C(=O)NC[C@@H]1CNCCO1 ZINC000419043890 1192741384 /nfs/dbraw/zinc/74/13/84/1192741384.db2.gz OJMKJXGRCLOFJI-INIZCTEOSA-N 0 3 388.493 0.649 20 0 GCADHN O=C(NCc1csc(CCc2ccccc2)n1)C(=O)NC[C@H]1CNCCO1 ZINC000419043891 1192741665 /nfs/dbraw/zinc/74/16/65/1192741665.db2.gz OJMKJXGRCLOFJI-MRXNPFEDSA-N 0 3 388.493 0.649 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cccn1 ZINC000419068882 1192765456 /nfs/dbraw/zinc/76/54/56/1192765456.db2.gz MGFSJRNDKQCIGB-YOEHRIQHSA-N 0 3 385.468 0.777 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCCCO2)CC1 ZINC000500768706 1192768677 /nfs/dbraw/zinc/76/86/77/1192768677.db2.gz VNVXADYXOIQATJ-ZBFHGGJFSA-N 0 3 376.457 0.813 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)C[C@H](C)N1 ZINC000419078556 1192775840 /nfs/dbraw/zinc/77/58/40/1192775840.db2.gz SUNGQZSCMJTMNU-IXDOHACOSA-N 0 3 388.512 0.732 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000509723324 1192779938 /nfs/dbraw/zinc/77/99/38/1192779938.db2.gz FEQLOOPRBICZRN-QGZVFWFLSA-N 0 3 390.484 0.685 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000509722771 1192780142 /nfs/dbraw/zinc/78/01/42/1192780142.db2.gz UQNBICFGNSQECN-UHFFFAOYSA-N 0 3 390.528 0.724 20 0 GCADHN CCc1cc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H](N)c3ccccc3)C2)ncn1 ZINC000419092926 1192787774 /nfs/dbraw/zinc/78/77/74/1192787774.db2.gz IFYOABNKFBAFCJ-ZWKOTPCHSA-N 0 3 396.495 0.940 20 0 GCADHN CC(C)n1cc2c(n1)C[C@@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000419094883 1192787917 /nfs/dbraw/zinc/78/79/17/1192787917.db2.gz JZPHOVOPTHHLBE-NOLJZWGESA-N 0 3 377.489 0.667 20 0 GCADHN C[C@H](O)CCN(C)C(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000410648792 1192787933 /nfs/dbraw/zinc/78/79/33/1192787933.db2.gz XNVCGAFTYBUVSJ-ULQDDVLXSA-N 0 3 383.533 0.954 20 0 GCADHN C[C@H](O)CCN(C)C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000410648793 1192788206 /nfs/dbraw/zinc/78/82/06/1192788206.db2.gz XNVCGAFTYBUVSJ-YESZJQIVSA-N 0 3 383.533 0.954 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1ccc(F)c(F)c1 ZINC000419108647 1192790697 /nfs/dbraw/zinc/79/06/97/1192790697.db2.gz LYJFBGRNFYQFQJ-ONERCXAPSA-N 0 3 385.411 0.998 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)N1CCOCC1 ZINC000419111556 1192791019 /nfs/dbraw/zinc/79/10/19/1192791019.db2.gz DNIBTYMBKPNZDI-ARFHVFGLSA-N 0 3 384.521 0.079 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)N1CCOCC1 ZINC000419111558 1192791040 /nfs/dbraw/zinc/79/10/40/1192791040.db2.gz DNIBTYMBKPNZDI-OAGGEKHMSA-N 0 3 384.521 0.079 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)N1CCOCC1 ZINC000419111557 1192791168 /nfs/dbraw/zinc/79/11/68/1192791168.db2.gz DNIBTYMBKPNZDI-BZUAXINKSA-N 0 3 384.521 0.079 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCS[C@H](C)[C@H]2C)CC1 ZINC000410654324 1192793015 /nfs/dbraw/zinc/79/30/15/1192793015.db2.gz PDXAAFKBYAEHCD-HUUCEWRRSA-N 0 3 384.546 0.351 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000419120190 1192793539 /nfs/dbraw/zinc/79/35/39/1192793539.db2.gz TUKLZBJYQUXEHC-RHSMWYFYSA-N 0 3 385.468 0.760 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000419120660 1192795034 /nfs/dbraw/zinc/79/50/34/1192795034.db2.gz QZWDBPLVEIHINK-UKRRQHHQSA-N 0 3 375.473 0.527 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000419123569 1192795087 /nfs/dbraw/zinc/79/50/87/1192795087.db2.gz HBYPRIBAGQEFFV-DZGCQCFKSA-N 0 3 388.468 0.311 20 0 GCADHN CCSCC[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000500806713 1192796145 /nfs/dbraw/zinc/79/61/45/1192796145.db2.gz ATGABKUQVYTKGD-OAHLLOKOSA-N 0 3 386.562 0.647 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000419125048 1192796943 /nfs/dbraw/zinc/79/69/43/1192796943.db2.gz YSIGBSJVWGWXOJ-ZBFHGGJFSA-N 0 3 389.500 0.917 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000419127705 1192797849 /nfs/dbraw/zinc/79/78/49/1192797849.db2.gz SBGYQHRFBKYCIL-BXUZGUMPSA-N 0 3 396.875 0.415 20 0 GCADHN CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)N1CCOCC1 ZINC000419117308 1192801624 /nfs/dbraw/zinc/80/16/24/1192801624.db2.gz MEIDQALFVTZVMH-PVAVHDDUSA-N 0 3 398.548 0.469 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)[C@H]1CO ZINC000410670221 1192803985 /nfs/dbraw/zinc/80/39/85/1192803985.db2.gz DSIFLQUKZIPQSS-BMFAXAFESA-N 0 3 395.544 0.954 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000419146440 1192814621 /nfs/dbraw/zinc/81/46/21/1192814621.db2.gz AYTAYYZXKLQHGG-TZMCWYRMSA-N 0 3 377.441 0.693 20 0 GCADHN CCSCC[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000500831764 1192817609 /nfs/dbraw/zinc/81/76/09/1192817609.db2.gz XDZXFIBEKIHKGB-LSDHHAIUSA-N 0 3 384.546 0.399 20 0 GCADHN NCC(F)(F)CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000419161087 1192819857 /nfs/dbraw/zinc/81/98/57/1192819857.db2.gz CTTXSNMSGOPWMR-OAHLLOKOSA-N 0 3 384.427 0.104 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(OCC2CC2)c(F)c1 ZINC000419160780 1192820105 /nfs/dbraw/zinc/82/01/05/1192820105.db2.gz IAHVGVVYPQTSGV-IUODEOHRSA-N 0 3 379.432 0.896 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1 ZINC000419179230 1192832655 /nfs/dbraw/zinc/83/26/55/1192832655.db2.gz VMKJDOQBKHURAK-FUHWJXTLSA-N 0 3 380.448 0.835 20 0 GCADHN C[C@@H]1CN(C2CCN(C(=O)C(=O)N3C[C@@H]4CCCCN4C[C@@H]3C)CC2)CCO1 ZINC000410698006 1192836565 /nfs/dbraw/zinc/83/65/65/1192836565.db2.gz MKDOZWJRYQYXIY-SCTDSRPQSA-N 0 3 392.544 0.783 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C(C)C)CC1 ZINC000410701001 1192840495 /nfs/dbraw/zinc/84/04/95/1192840495.db2.gz UOXRATHTNFVMES-KRWDZBQOSA-N 0 3 389.500 0.537 20 0 GCADHN CCC1(CC)[C@H](N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H](C)[C@H]1OC ZINC000245580244 1192843711 /nfs/dbraw/zinc/84/37/11/1192843711.db2.gz BDCSFDYDHUXOJK-RBDSIQFVSA-N 0 3 380.489 0.667 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC(CCC(N)=O)CC1 ZINC000410708728 1192845339 /nfs/dbraw/zinc/84/53/39/1192845339.db2.gz KJKLLBAPRWFMIE-UHFFFAOYSA-N 0 3 378.473 0.674 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000663850777 1192851946 /nfs/dbraw/zinc/85/19/46/1192851946.db2.gz JYNCKKKTMYSZMZ-QGZVFWFLSA-N 0 3 389.500 0.449 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000419205498 1192852864 /nfs/dbraw/zinc/85/28/64/1192852864.db2.gz LGEOGBXOKYMVJO-DZGCQCFKSA-N 0 3 375.473 0.527 20 0 GCADHN CCNC(=O)c1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419205316 1192854663 /nfs/dbraw/zinc/85/46/63/1192854663.db2.gz JWDLXCWNTUXWER-IUODEOHRSA-N 0 3 376.457 0.282 20 0 GCADHN COC(=O)CC1(NCC(=O)Nc2ccccc2SCC(N)=O)CCOCC1 ZINC000473294739 1192858647 /nfs/dbraw/zinc/85/86/47/1192858647.db2.gz WJBAQNRSVGIFPJ-UHFFFAOYSA-N 0 3 395.481 0.904 20 0 GCADHN CCOC(=O)Cn1cc(CN2CC[C@@H](C(=O)OC)C2)c(-c2cnn(C)c2)n1 ZINC000893950040 1192882568 /nfs/dbraw/zinc/88/25/68/1192882568.db2.gz XXOGHHLHMHNPBL-CYBMUJFWSA-N 0 3 375.429 0.842 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)N1CCOCC1 ZINC000549788632 1192882643 /nfs/dbraw/zinc/88/26/43/1192882643.db2.gz NAIAZMUEFCJYAZ-FGTMMUONSA-N 0 3 380.533 0.545 20 0 GCADHN CN(CCN1CCN(C(=O)C(=O)NCc2cc[nH]n2)CC1)Cc1ccccc1 ZINC000549790766 1192883554 /nfs/dbraw/zinc/88/35/54/1192883554.db2.gz GOIPZZZBOODAIH-UHFFFAOYSA-N 0 3 384.484 0.302 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000549798675 1192884893 /nfs/dbraw/zinc/88/48/93/1192884893.db2.gz SRAYGOYMFQLDSB-KRWDZBQOSA-N 0 3 378.517 0.838 20 0 GCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000549796658 1192885033 /nfs/dbraw/zinc/88/50/33/1192885033.db2.gz IBVMRAZRQJVRRU-JKSUJKDBSA-N 0 3 378.517 0.694 20 0 GCADHN CCOC[C@H](O)CNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473392820 1192885381 /nfs/dbraw/zinc/88/53/81/1192885381.db2.gz ZEGYHXHRWWBQHF-QGZVFWFLSA-N 0 3 378.473 0.281 20 0 GCADHN CCOC(=O)Cn1cc(CN2CCC[C@@H](OCCO)C2)c(-c2cnn(C)c2)n1 ZINC000894016902 1192893507 /nfs/dbraw/zinc/89/35/07/1192893507.db2.gz IDWMHUYBKKTZOB-QGZVFWFLSA-N 0 3 391.472 0.820 20 0 GCADHN CC[C@@H]1CCC[C@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000575238505 1192901709 /nfs/dbraw/zinc/90/17/09/1192901709.db2.gz IJAPNADLGLFOHX-MSOLQXFVSA-N 0 3 382.549 0.578 20 0 GCADHN CC[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000575238506 1192901765 /nfs/dbraw/zinc/90/17/65/1192901765.db2.gz IJAPNADLGLFOHX-QZTJIDSGSA-N 0 3 382.549 0.578 20 0 GCADHN O=C(NCc1ccc(OCc2ccccc2)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000419213273 1192902054 /nfs/dbraw/zinc/90/20/54/1192902054.db2.gz LGHVFXXOEGPORO-LJQANCHMSA-N 0 3 383.448 0.986 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N(C)CCC(N)=O)CC2)C[C@H](C)O1 ZINC000410894863 1192912565 /nfs/dbraw/zinc/91/25/65/1192912565.db2.gz CYAHTHZQXYGVBW-GASCZTMLSA-N 0 3 382.505 0.058 20 0 GCADHN CCSCC[C@@H](C)N(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000410919294 1192914971 /nfs/dbraw/zinc/91/49/71/1192914971.db2.gz LUTBGXKQRCEMRD-CVEARBPZSA-N 0 3 398.573 0.742 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CCN1 ZINC000419218201 1192917961 /nfs/dbraw/zinc/91/79/61/1192917961.db2.gz RUJBDPZYWVJMNK-IKGGRYGDSA-N 0 3 388.512 0.732 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C)C[C@@H](C)C2)CC1 ZINC000410942613 1192918556 /nfs/dbraw/zinc/91/85/56/1192918556.db2.gz GJEJFBKURNLNGI-DLBZAZTESA-N 0 3 380.533 0.894 20 0 GCADHN COC(=O)COc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000274490652 1184075269 /nfs/dbraw/zinc/07/52/69/1184075269.db2.gz SIWYREZYEMCYDP-GJZGRUSLSA-N 0 3 391.468 0.968 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000274492924 1184076777 /nfs/dbraw/zinc/07/67/77/1184076777.db2.gz RRSLVJVNVKBNRV-OAHLLOKOSA-N 0 3 382.530 0.693 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000274503032 1184079087 /nfs/dbraw/zinc/07/90/87/1184079087.db2.gz FNAXVOCUPLZAML-OAHLLOKOSA-N 0 3 389.452 0.506 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)c1cccc(O)c1 ZINC000274512690 1184082768 /nfs/dbraw/zinc/08/27/68/1184082768.db2.gz QZUDTRWNMIQTSS-MRXNPFEDSA-N 0 3 376.457 0.181 20 0 GCADHN CCOc1cc2c(cc1NC(=O)C(=O)NCCN(CC)CCO)O[C@H](C)C2 ZINC000274514221 1184083408 /nfs/dbraw/zinc/08/34/08/1184083408.db2.gz XITQILANUCWVBU-CYBMUJFWSA-N 0 3 379.457 0.778 20 0 GCADHN COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc2c(c1)CCO2 ZINC000274515707 1184083447 /nfs/dbraw/zinc/08/34/47/1184083447.db2.gz HYNLLGCVERYHQI-CRAIPNDOSA-N 0 3 389.452 0.362 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1F ZINC000274515991 1184083556 /nfs/dbraw/zinc/08/35/56/1184083556.db2.gz MIXSZZCIVLNFIK-CYBMUJFWSA-N 0 3 396.463 0.924 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000274523992 1184086334 /nfs/dbraw/zinc/08/63/34/1184086334.db2.gz YZMFHZQGBHDWFT-UHFFFAOYSA-N 0 3 380.514 0.609 20 0 GCADHN COc1ccc(OC)c(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000274528079 1184088195 /nfs/dbraw/zinc/08/81/95/1184088195.db2.gz OYHJEWDEARGOMR-AWEZNQCLSA-N 0 3 378.473 0.785 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000274528753 1184088228 /nfs/dbraw/zinc/08/82/28/1184088228.db2.gz ZUPIFBMHXJAVPR-UHFFFAOYSA-N 0 3 387.440 0.946 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl ZINC000274530030 1184088338 /nfs/dbraw/zinc/08/83/38/1184088338.db2.gz ZVBICRQZSZMOMG-UHFFFAOYSA-N 0 3 397.863 0.239 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCS(=O)(=O)CC)c2)CC1 ZINC000274529917 1184088507 /nfs/dbraw/zinc/08/85/07/1184088507.db2.gz PIZBQCAVIBERAS-UHFFFAOYSA-N 0 3 396.513 0.318 20 0 GCADHN O=C(NCCN1CCc2ccccc2C1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000579691385 1184090023 /nfs/dbraw/zinc/09/00/23/1184090023.db2.gz OQJKMYKGYXEAOS-HXUWFJFHSA-N 0 3 399.539 0.898 20 0 GCADHN CCN(CCO)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000274540836 1184091687 /nfs/dbraw/zinc/09/16/87/1184091687.db2.gz KSHMPEZZFSVSQK-UHFFFAOYSA-N 0 3 397.541 0.826 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000274548370 1184094186 /nfs/dbraw/zinc/09/41/86/1184094186.db2.gz HYJDAGCOJWACRF-NZSAHSFTSA-N 0 3 378.517 0.796 20 0 GCADHN CCN(CCO)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000274550695 1184094747 /nfs/dbraw/zinc/09/47/47/1184094747.db2.gz MPHJJOGOEKDATQ-UHFFFAOYSA-N 0 3 397.541 0.834 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000274551045 1184096065 /nfs/dbraw/zinc/09/60/65/1184096065.db2.gz MUFASQQXAPSQIN-QGZVFWFLSA-N 0 3 383.514 0.660 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)N[C@H](C)CCN3CCN(C)CC3)CC2)n1 ZINC000274551608 1184096192 /nfs/dbraw/zinc/09/61/92/1184096192.db2.gz IQPMTVHXHXQUPI-MRXNPFEDSA-N 0 3 389.548 0.951 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 ZINC000274570578 1184104959 /nfs/dbraw/zinc/10/49/59/1184104959.db2.gz HFPUCNLVLMLMLP-OAHLLOKOSA-N 0 3 397.545 0.335 20 0 GCADHN COc1ccc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1-n1cnnn1 ZINC000274571630 1184106188 /nfs/dbraw/zinc/10/61/88/1184106188.db2.gz AYKIWFIOEMGLRO-AWEZNQCLSA-N 0 3 388.476 0.818 20 0 GCADHN CCOc1ccc(S(=O)(=O)NCCC(=O)NCCN(CC)CCO)cc1 ZINC000274580744 1184109754 /nfs/dbraw/zinc/10/97/54/1184109754.db2.gz SGKJJSJYYGWNOI-UHFFFAOYSA-N 0 3 387.502 0.184 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCC[C@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594084 1184112471 /nfs/dbraw/zinc/11/24/71/1184112471.db2.gz KSBCLHOCWJGDBL-RDJZCZTQSA-N 0 3 382.530 0.406 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000274594414 1184112855 /nfs/dbraw/zinc/11/28/55/1184112855.db2.gz PUSDMERQCDXPQY-HNNXBMFYSA-N 0 3 397.545 0.202 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3OC(F)F)CCN2C1=O ZINC000579734138 1184120043 /nfs/dbraw/zinc/12/00/43/1184120043.db2.gz JKJYWBQJNAPHGV-UWVGGRQHSA-N 0 3 386.330 0.136 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000579739881 1184123197 /nfs/dbraw/zinc/12/31/97/1184123197.db2.gz HDHFTBHDMDGHTE-UHFFFAOYSA-N 0 3 391.516 0.068 20 0 GCADHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H](C)C1 ZINC000579747357 1184125375 /nfs/dbraw/zinc/12/53/75/1184125375.db2.gz KOPXUUUHKXCQCC-HEHGZKQESA-N 0 3 385.468 0.435 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000274634303 1184132189 /nfs/dbraw/zinc/13/21/89/1184132189.db2.gz ISHWZNKMASHULT-AWEZNQCLSA-N 0 3 386.518 0.611 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000274639858 1184134372 /nfs/dbraw/zinc/13/43/72/1184134372.db2.gz VBHFLBPGHBQYIC-ZDUSSCGKSA-N 0 3 384.502 0.098 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000274649061 1184144177 /nfs/dbraw/zinc/14/41/77/1184144177.db2.gz WKVHIACNCRWRIU-VLIAUNLRSA-N 0 3 387.484 0.497 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC ZINC000605243786 1184153863 /nfs/dbraw/zinc/15/38/63/1184153863.db2.gz NPLXISJAAHIDOI-UHFFFAOYSA-N 0 3 376.457 0.938 20 0 GCADHN Cn1cc(N2CC[C@@H](N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001020407946 1184157414 /nfs/dbraw/zinc/15/74/14/1184157414.db2.gz MCJGQEUBLAGCON-HEGKUMFZSA-N 0 3 385.468 0.186 20 0 GCADHN CCN(CCO)CCNC(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000274658054 1184163650 /nfs/dbraw/zinc/16/36/50/1184163650.db2.gz MUZZBLLHIIRQNJ-UHFFFAOYSA-N 0 3 392.500 0.500 20 0 GCADHN CCN(CCO)CCNC(=O)NCCCCN1C(=O)c2ccccc2C1=O ZINC000274668437 1184173653 /nfs/dbraw/zinc/17/36/53/1184173653.db2.gz OLRNSLPHEKRVOR-UHFFFAOYSA-N 0 3 376.457 0.676 20 0 GCADHN CCCCOc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cn1 ZINC000274670707 1184176216 /nfs/dbraw/zinc/17/62/16/1184176216.db2.gz HHBCSHVMDYDHTP-UHFFFAOYSA-N 0 3 377.489 0.953 20 0 GCADHN CCN1CCN(CCC(=O)N[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)CC1 ZINC000274689029 1184186324 /nfs/dbraw/zinc/18/63/24/1184186324.db2.gz LCFBXNCKPDPHMQ-GOSISDBHSA-N 0 3 379.457 0.759 20 0 GCADHN COc1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)ccc1OCC(N)=O ZINC000274689444 1184187859 /nfs/dbraw/zinc/18/78/59/1184187859.db2.gz UVTJTDWXAIGDTN-AWEZNQCLSA-N 0 3 378.473 0.315 20 0 GCADHN C[C@@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000274697479 1184193506 /nfs/dbraw/zinc/19/35/06/1184193506.db2.gz MUDPUDDPYQOIBN-QAPCUYQASA-N 0 3 382.530 0.371 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000654945564 1184217142 /nfs/dbraw/zinc/21/71/42/1184217142.db2.gz CDSCNDNFBNMCQH-GJZGRUSLSA-N 0 3 376.461 0.043 20 0 GCADHN Cc1cnn(-c2c(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)c(C)nn2C)c1 ZINC000547651712 1184230774 /nfs/dbraw/zinc/23/07/74/1184230774.db2.gz IQNNHPYWEMFXGU-UHFFFAOYSA-N 0 3 399.499 0.603 20 0 GCADHN CN(CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](O)C1)C1CCC1 ZINC000969311326 1184251262 /nfs/dbraw/zinc/25/12/62/1184251262.db2.gz ZVYXDLCRJLWKLB-MLHJIOFPSA-N 0 3 379.501 0.221 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](O)C1)N1CCCCC1 ZINC000969336636 1184269609 /nfs/dbraw/zinc/26/96/09/1184269609.db2.gz SYVAAQPZNAKZTA-AXSMETJDSA-N 0 3 391.512 0.362 20 0 GCADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000655073523 1184276910 /nfs/dbraw/zinc/27/69/10/1184276910.db2.gz RINOZDAFNDSCDO-HXUWFJFHSA-N 0 3 387.484 0.796 20 0 GCADHN CC(C)c1nnc(NC(=O)CCC(=O)NC[C@]2(O)CN3CCC2CC3)s1 ZINC000655073530 1184276965 /nfs/dbraw/zinc/27/69/65/1184276965.db2.gz WEUUIFLMYDPDRD-KRWDZBQOSA-N 0 3 381.502 0.953 20 0 GCADHN CCOC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)Cc1ccccc1 ZINC001625797446 1184277951 /nfs/dbraw/zinc/27/79/51/1184277951.db2.gz HLBXCFOYJBCXAK-ZWKOTPCHSA-N 0 3 389.496 0.935 20 0 GCADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(OC)c1 ZINC000655093582 1184282633 /nfs/dbraw/zinc/28/26/33/1184282633.db2.gz WVUHYJSJNGUCJJ-IKGGRYGDSA-N 0 3 391.468 0.442 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)CC1 ZINC000579835337 1184306705 /nfs/dbraw/zinc/30/67/05/1184306705.db2.gz UGWFOPAEUVWLQX-PKOBYXMFSA-N 0 3 387.528 0.787 20 0 GCADHN COc1coc(CN[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1=O ZINC000969438008 1184310655 /nfs/dbraw/zinc/31/06/55/1184310655.db2.gz WISWVWQCYZGIRL-SCGCMHLBSA-N 0 3 378.425 0.390 20 0 GCADHN CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)C ZINC000969583411 1184347009 /nfs/dbraw/zinc/34/70/09/1184347009.db2.gz DYTUGIAFAQWBTE-KHHDSSOXSA-N 0 3 379.501 0.580 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)N(CCO)CCN2CCOCC2)N(C)C)cc1 ZINC000119577663 1184357736 /nfs/dbraw/zinc/35/77/36/1184357736.db2.gz ZXOKFIAAVHOADF-LJQANCHMSA-N 0 3 378.517 0.934 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@@H]1O ZINC000969619343 1184361777 /nfs/dbraw/zinc/36/17/77/1184361777.db2.gz RLRZTDQOEOJZBY-YRXWBPOGSA-N 0 3 389.496 0.865 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000547711648 1184389145 /nfs/dbraw/zinc/38/91/45/1184389145.db2.gz FSJOVDSYVDWYTD-LXZKKBNFSA-N 0 3 399.488 0.502 20 0 GCADHN CN(C)c1nc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cs1 ZINC000119834059 1184406190 /nfs/dbraw/zinc/40/61/90/1184406190.db2.gz LOAKRHCRFFGZBQ-CQSZACIVSA-N 0 3 380.518 0.657 20 0 GCADHN CNC(=O)[C@]1(C)CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000430263323 1184407088 /nfs/dbraw/zinc/40/70/88/1184407088.db2.gz ZZFPGOJSMDULDX-OAQYLSRUSA-N 0 3 386.496 0.997 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCc2n[nH]c(=O)cc2C1 ZINC000274867699 1184409496 /nfs/dbraw/zinc/40/94/96/1184409496.db2.gz JUMVGYWZPDFHFI-MAUKXSAKSA-N 0 3 381.480 0.907 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2scc3c2OCCO3)CC1=O ZINC000655399925 1184411700 /nfs/dbraw/zinc/41/17/00/1184411700.db2.gz QXDOJAKTLMDWRI-GFCCVEGCSA-N 0 3 383.470 0.428 20 0 GCADHN COCCN(C)CCOc1cccc(CN2C(=O)[C@H]3[C@@H](O)CCCN3C2=O)c1 ZINC000349411179 1184422908 /nfs/dbraw/zinc/42/29/08/1184422908.db2.gz ZCANBVXFLHHYSZ-ZWKOTPCHSA-N 0 3 391.468 0.931 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@](C)(O)Cn3ccccc3=O)C2)CC1 ZINC000547733624 1184440517 /nfs/dbraw/zinc/44/05/17/1184440517.db2.gz WQGLBLWXMMWLRB-XLIONFOSSA-N 0 3 376.501 0.226 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(-c2ccccc2F)n1)CN1CCN(C)CC1 ZINC000154727675 1184464444 /nfs/dbraw/zinc/46/44/44/1184464444.db2.gz INSKGARQRHVDCR-HNNXBMFYSA-N 0 3 387.459 0.985 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)N(C)C ZINC000471222769 1184469933 /nfs/dbraw/zinc/46/99/33/1184469933.db2.gz LZUAVPRHICOZSU-BZUAXINKSA-N 0 3 390.550 0.071 20 0 GCADHN COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000521371919 1184476095 /nfs/dbraw/zinc/47/60/95/1184476095.db2.gz QETMUROTNWIXGY-GWCFXTLKSA-N 0 3 393.387 0.647 20 0 GCADHN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000547759513 1184488008 /nfs/dbraw/zinc/48/80/08/1184488008.db2.gz UMCISYKLUVUAFY-GDBMZVCRSA-N 0 3 393.440 0.220 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000430301475 1184503726 /nfs/dbraw/zinc/50/37/26/1184503726.db2.gz PEUAICROSATKPY-INIZCTEOSA-N 0 3 391.468 0.757 20 0 GCADHN CN(C)S(=O)(=O)N[C@@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)C1CCCC1 ZINC000655548104 1184528724 /nfs/dbraw/zinc/52/87/24/1184528724.db2.gz HNPYBYSIVKLKDX-HOCLYGCPSA-N 0 3 387.550 0.477 20 0 GCADHN COc1ccc(S(=O)(=O)N2CC(NC3CCN(C(=O)N(C)C)CC3)C2)cc1 ZINC000275137713 1184529781 /nfs/dbraw/zinc/52/97/81/1184529781.db2.gz NOGFYIOHYIIHIO-UHFFFAOYSA-N 0 3 396.513 0.804 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000547774263 1184542870 /nfs/dbraw/zinc/54/28/70/1184542870.db2.gz FQHPUADNJSWMLS-OAHLLOKOSA-N 0 3 389.566 0.126 20 0 GCADHN CSCCCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000510181515 1184596328 /nfs/dbraw/zinc/59/63/28/1184596328.db2.gz AEPBVNLKELLJFR-OAHLLOKOSA-N 0 3 384.546 0.401 20 0 GCADHN CSCCCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000510201775 1184609633 /nfs/dbraw/zinc/60/96/33/1184609633.db2.gz ZIHAXRIPIBBNQN-UHFFFAOYSA-N 0 3 384.546 0.403 20 0 GCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000140308659 1184619206 /nfs/dbraw/zinc/61/92/06/1184619206.db2.gz BNMMTCKRRMXKMM-INIZCTEOSA-N 0 3 383.537 0.339 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000275347525 1184621070 /nfs/dbraw/zinc/62/10/70/1184621070.db2.gz RSCKDLXEWVZZOB-UHFFFAOYSA-N 0 3 380.420 0.686 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)ccc1C(N)=O ZINC000510229854 1184624188 /nfs/dbraw/zinc/62/41/88/1184624188.db2.gz QSXGHZZEJCHATR-OAHLLOKOSA-N 0 3 376.457 0.602 20 0 GCADHN CC(C)CN1CCN(C(=O)NCCCCN2CCN(CCO)CC2)[C@H](C)C1=O ZINC000430387062 1184637377 /nfs/dbraw/zinc/63/73/77/1184637377.db2.gz TZOAEQPVLCOKDO-GOSISDBHSA-N 0 3 397.564 0.275 20 0 GCADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000430388699 1184639899 /nfs/dbraw/zinc/63/98/99/1184639899.db2.gz YWQQVIMJESVGAR-QGZVFWFLSA-N 0 3 383.537 0.029 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2C1 ZINC001719584461 1184644360 /nfs/dbraw/zinc/64/43/60/1184644360.db2.gz SYNRUPHPPXUHRB-TWMKSMIVSA-N 0 3 392.544 0.925 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1S(=O)(=O)NC1CC1 ZINC000275409246 1184656790 /nfs/dbraw/zinc/65/67/90/1184656790.db2.gz KDHDGVPXRBDWRV-UHFFFAOYSA-N 0 3 382.486 0.394 20 0 GCADHN COCCO[C@@H]1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2OC)C1 ZINC000275442737 1184672239 /nfs/dbraw/zinc/67/22/39/1184672239.db2.gz AFLNLDBKNMVHKN-JKSUJKDBSA-N 0 3 383.441 0.959 20 0 GCADHN CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)c2ccccc2O1 ZINC000275460879 1184677506 /nfs/dbraw/zinc/67/75/06/1184677506.db2.gz VLZHACJRFZIETQ-INIZCTEOSA-N 0 3 376.457 0.327 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CN(CCCN2C(=O)CNC2=O)C1 ZINC000970169758 1184698055 /nfs/dbraw/zinc/69/80/55/1184698055.db2.gz BPWJFAYIXNWLPL-RPCCPQHDSA-N 0 3 378.473 0.180 20 0 GCADHN COC(=O)c1scc(C)c1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000275559223 1184711480 /nfs/dbraw/zinc/71/14/80/1184711480.db2.gz CSFZHWXBXFPZLT-CYBMUJFWSA-N 0 3 396.513 0.924 20 0 GCADHN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579910719 1184719444 /nfs/dbraw/zinc/71/94/44/1184719444.db2.gz WPJZZWLCBQOZDJ-JLSDUUJJSA-N 0 3 376.501 0.641 20 0 GCADHN CN(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000430426327 1184720031 /nfs/dbraw/zinc/72/00/31/1184720031.db2.gz CCEGDRSSOPELIM-CYBMUJFWSA-N 0 3 390.469 0.654 20 0 GCADHN COCCN(C(=O)C(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000275570839 1184722698 /nfs/dbraw/zinc/72/26/98/1184722698.db2.gz CCDPPCJVVPTFBH-MRXNPFEDSA-N 0 3 397.497 0.349 20 0 GCADHN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000430429376 1184725204 /nfs/dbraw/zinc/72/52/04/1184725204.db2.gz WWGFSVRPFOVKQF-CHWSQXEVSA-N 0 3 382.427 0.884 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)CC1=O ZINC000890859896 1184733018 /nfs/dbraw/zinc/73/30/18/1184733018.db2.gz WNELFDUORCGXOA-OAHLLOKOSA-N 0 3 396.513 0.109 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000579921288 1184733341 /nfs/dbraw/zinc/73/33/41/1184733341.db2.gz LZMYITVKPNKXDS-QGZVFWFLSA-N 0 3 385.468 0.833 20 0 GCADHN O=C(NCc1cccc(NS(=O)(=O)C2CC2)c1)[C@@H]1CN2CCN1CCC2 ZINC000890862151 1184733384 /nfs/dbraw/zinc/73/33/84/1184733384.db2.gz GODCYOGWGMARDG-KRWDZBQOSA-N 0 3 378.498 0.597 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000579927958 1184738521 /nfs/dbraw/zinc/73/85/21/1184738521.db2.gz IGBZYMPVBXDGQT-IAGOWNOFSA-N 0 3 394.516 0.169 20 0 GCADHN COc1cccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1OC ZINC000579933598 1184744360 /nfs/dbraw/zinc/74/43/60/1184744360.db2.gz JJDYFOFDTXYZHZ-GXTWGEPZSA-N 0 3 379.457 0.592 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970206411 1184753430 /nfs/dbraw/zinc/75/34/30/1184753430.db2.gz ZZFFZPQNINNBGR-JYYRGQEPSA-N 0 3 375.469 0.373 20 0 GCADHN C[C@@H]1CN(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CCN(C2CC2)C1 ZINC000655638663 1184760067 /nfs/dbraw/zinc/76/00/67/1184760067.db2.gz QCRCNCJKLSXTAM-IQUTYRLHSA-N 0 3 377.489 0.833 20 0 GCADHN CCS(=O)(=O)c1cccc(C(=O)NCC(=O)NCCN2CCCCC2)c1 ZINC000909320835 1184777992 /nfs/dbraw/zinc/77/79/92/1184777992.db2.gz MIGOUDJLIUDGRS-UHFFFAOYSA-N 0 3 381.498 0.812 20 0 GCADHN C[C@@H](NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CN(C)CCO1 ZINC000655709911 1184782619 /nfs/dbraw/zinc/78/26/19/1184782619.db2.gz PENPFDGDAGEKCG-ATZDWAIDSA-N 0 3 376.501 0.424 20 0 GCADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)N(CCO)CCN1CCOCC1 ZINC000121499439 1184788901 /nfs/dbraw/zinc/78/89/01/1184788901.db2.gz BZUFJXVDYCOKDY-HXUWFJFHSA-N 0 3 390.528 0.987 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)c(OC)c1 ZINC000275599556 1184790672 /nfs/dbraw/zinc/79/06/72/1184790672.db2.gz HJCDJRXQQBLDPA-SFHVURJKSA-N 0 3 395.481 0.974 20 0 GCADHN Cn1c(=O)c2ccc(C(=O)NC[C@H]3NCCc4ccccc43)nc2n(C)c1=O ZINC000647041932 1184792016 /nfs/dbraw/zinc/79/20/16/1184792016.db2.gz WJNHZRNLGVVJEE-MRXNPFEDSA-N 0 3 379.420 0.249 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000177423060 1184812871 /nfs/dbraw/zinc/81/28/71/1184812871.db2.gz VMSMWXHROYCJQV-ZDUSSCGKSA-N 0 3 386.493 0.490 20 0 GCADHN O=C(NCCCN1CCN(c2ncccn2)CC1)NCCN1CCCOCC1 ZINC000275626046 1184834112 /nfs/dbraw/zinc/83/41/12/1184834112.db2.gz JYHWHLYWYCCZTB-UHFFFAOYSA-N 0 3 391.520 0.010 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCc3cnn(C)c3)cc2)CC1 ZINC000121917618 1184836357 /nfs/dbraw/zinc/83/63/57/1184836357.db2.gz YLZKAXNFQURBCS-UHFFFAOYSA-N 0 3 398.511 0.855 20 0 GCADHN CC(C)Cn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1C(C)C ZINC000579973512 1184860458 /nfs/dbraw/zinc/86/04/58/1184860458.db2.gz AAMFMMWEZBDDLW-KBPBESRZSA-N 0 3 390.488 0.371 20 0 GCADHN COc1cc(CNCc2cnc(N3CCN(C)CC3)nc2)ccc1OCCO ZINC001648876396 1184871553 /nfs/dbraw/zinc/87/15/53/1184871553.db2.gz IODNXAKLHGRYEB-UHFFFAOYSA-N 0 3 387.484 0.898 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000139439855 1184879298 /nfs/dbraw/zinc/87/92/98/1184879298.db2.gz GULBLFBNCRYHLT-CQSZACIVSA-N 0 3 385.490 0.402 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000148581189 1184917871 /nfs/dbraw/zinc/91/78/71/1184917871.db2.gz JRMLYBCNFBTCGO-UHFFFAOYSA-N 0 3 388.468 0.744 20 0 GCADHN CNC(=O)Cc1ccccc1NC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000148603479 1184918702 /nfs/dbraw/zinc/91/87/02/1184918702.db2.gz AVHQDWZGTCDEBG-UHFFFAOYSA-N 0 3 376.457 0.141 20 0 GCADHN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000430469258 1184920181 /nfs/dbraw/zinc/92/01/81/1184920181.db2.gz IGWHPQBVEBROQB-FGTMMUONSA-N 0 3 390.528 0.981 20 0 GCADHN CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)cn1 ZINC000275682176 1184927255 /nfs/dbraw/zinc/92/72/55/1184927255.db2.gz HTXWLWJHGSSGLQ-HNNXBMFYSA-N 0 3 394.497 0.901 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)C1 ZINC000188700698 1184941767 /nfs/dbraw/zinc/94/17/67/1184941767.db2.gz YLIICNLNWQRMAO-HUUCEWRRSA-N 0 3 388.516 0.318 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(OC)c2)CC1 ZINC000275711438 1184947616 /nfs/dbraw/zinc/94/76/16/1184947616.db2.gz SIRVCAZXPRRENN-UHFFFAOYSA-N 0 3 394.447 0.785 20 0 GCADHN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)O2 ZINC000891107321 1184953436 /nfs/dbraw/zinc/95/34/36/1184953436.db2.gz LHUKFFWOJANQPQ-YYAJDYIMSA-N 0 3 384.521 0.620 20 0 GCADHN Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000891108506 1184956473 /nfs/dbraw/zinc/95/64/73/1184956473.db2.gz YRORUELYLQFISG-ACJLOTCBSA-N 0 3 380.468 0.598 20 0 GCADHN Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000891108508 1184956557 /nfs/dbraw/zinc/95/65/57/1184956557.db2.gz YRORUELYLQFISG-SCLBCKFNSA-N 0 3 380.468 0.598 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)nc1 ZINC000656022082 1184958709 /nfs/dbraw/zinc/95/87/09/1184958709.db2.gz BDXPPEFTCGHGAQ-ZFWWWQNUSA-N 0 3 391.472 0.384 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)nc1 ZINC000656022079 1184958885 /nfs/dbraw/zinc/95/88/85/1184958885.db2.gz BDXPPEFTCGHGAQ-DZGCQCFKSA-N 0 3 391.472 0.384 20 0 GCADHN COC1(CO)CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000656024865 1184961025 /nfs/dbraw/zinc/96/10/25/1184961025.db2.gz TVFCSTWIRPPRGM-SFHVURJKSA-N 0 3 385.464 0.956 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CCC(C)CC2)cc1 ZINC000041661264 1184963897 /nfs/dbraw/zinc/96/38/97/1184963897.db2.gz JSYQULCCOXAQBJ-UHFFFAOYSA-N 0 3 390.484 0.988 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000041719506 1184964711 /nfs/dbraw/zinc/96/47/11/1184964711.db2.gz PCDYMWZBCMWBRR-UHFFFAOYSA-N 0 3 387.484 0.506 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CC1 ZINC000656084190 1185022289 /nfs/dbraw/zinc/02/22/89/1185022289.db2.gz WFGNTXLDLIXLJZ-MRXNPFEDSA-N 0 3 382.549 0.623 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275759355 1185033162 /nfs/dbraw/zinc/03/31/62/1185033162.db2.gz VBJYDLKIMNTQDD-QZTJIDSGSA-N 0 3 390.484 0.963 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275759358 1185033387 /nfs/dbraw/zinc/03/33/87/1185033387.db2.gz VBJYDLKIMNTQDD-ROUUACIJSA-N 0 3 390.484 0.963 20 0 GCADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)Nc2ccc(S(C)(=O)=O)cn2)cn1 ZINC000891199887 1185035229 /nfs/dbraw/zinc/03/52/29/1185035229.db2.gz PTWUDIIRTMEJMS-LSDHHAIUSA-N 0 3 377.470 0.893 20 0 GCADHN COCc1noc(CN2CCN(C(=O)N[C@H](C)C3=CCN(C)CC3)CC2)n1 ZINC000275773147 1185045329 /nfs/dbraw/zinc/04/53/29/1185045329.db2.gz HJGOPZOWZWPUNJ-CQSZACIVSA-N 0 3 378.477 0.694 20 0 GCADHN CCN(CCNC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)CCC(F)(F)F ZINC000580122511 1185072349 /nfs/dbraw/zinc/07/23/49/1185072349.db2.gz CJQPFBQZXVLADO-KBPBESRZSA-N 0 3 378.439 0.930 20 0 GCADHN CN[C@H](C(=O)NCCCCN1CCN(c2ncccn2)CC1)c1cnn(C)c1 ZINC000580190005 1185113304 /nfs/dbraw/zinc/11/33/04/1185113304.db2.gz ARGHUJRYQREIBT-KRWDZBQOSA-N 0 3 386.504 0.189 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)CCCCCS(N)(=O)=O)cc2)CC1 ZINC000580203702 1185117250 /nfs/dbraw/zinc/11/72/50/1185117250.db2.gz KNZOBGYRPVRNMZ-UHFFFAOYSA-N 0 3 396.557 0.899 20 0 GCADHN C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000580230913 1185125395 /nfs/dbraw/zinc/12/53/95/1185125395.db2.gz HCDPMXNUFCJZHB-IXDOHACOSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000580230914 1185125414 /nfs/dbraw/zinc/12/54/14/1185125414.db2.gz HCDPMXNUFCJZHB-ZACQAIPSSA-N 0 3 378.517 0.836 20 0 GCADHN CC(C)N1CCN(C(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000580292941 1185141467 /nfs/dbraw/zinc/14/14/67/1185141467.db2.gz KDYPBBOFKZNWCL-SFHVURJKSA-N 0 3 379.549 0.166 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@H](C)S1 ZINC000580292545 1185142265 /nfs/dbraw/zinc/14/22/65/1185142265.db2.gz CZKBMFNMRRGLNJ-QLFBSQMISA-N 0 3 382.530 0.104 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCCC2)c2ccccc2O1 ZINC000070965764 1185146411 /nfs/dbraw/zinc/14/64/11/1185146411.db2.gz IKHRZUWERVFOCB-CZUORRHYSA-N 0 3 375.425 0.554 20 0 GCADHN CC(C)n1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1 ZINC000128111367 1185148459 /nfs/dbraw/zinc/14/84/59/1185148459.db2.gz KYOKWJDEPIOQFZ-GOSISDBHSA-N 0 3 385.468 0.938 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000891238518 1185151149 /nfs/dbraw/zinc/15/11/49/1185151149.db2.gz SKAWFAMIQFIXNT-XDNAFOTISA-N 0 3 375.469 0.978 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CCN(C2CCC2)C1 ZINC000580339344 1185178775 /nfs/dbraw/zinc/17/87/75/1185178775.db2.gz UOCPIENBWFKIKW-CQSZACIVSA-N 0 3 383.456 0.934 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000655353798 1185181459 /nfs/dbraw/zinc/18/14/59/1185181459.db2.gz WFDUGTPKIAJGSP-GOEBONIOSA-N 0 3 384.502 0.686 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CCO2 ZINC000891252581 1185182442 /nfs/dbraw/zinc/18/24/42/1185182442.db2.gz IWYDOZOVOVIJAG-XAUUPUKJSA-N 0 3 398.504 0.149 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000580346402 1185183321 /nfs/dbraw/zinc/18/33/21/1185183321.db2.gz HHBQWOPDXFKGGN-NEPJUHHUSA-N 0 3 392.422 0.502 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000580347775 1185184366 /nfs/dbraw/zinc/18/43/66/1185184366.db2.gz KNUPVSVAIRJEOE-MWLCHTKSSA-N 0 3 388.321 0.553 20 0 GCADHN CN1CCCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001670607118 1185204932 /nfs/dbraw/zinc/20/49/32/1185204932.db2.gz CYTJZNXRYCPJDD-AWEZNQCLSA-N 0 3 397.501 0.708 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NCCCCN1CCN(C)CC1)c1ccco1 ZINC000580410559 1185222557 /nfs/dbraw/zinc/22/25/57/1185222557.db2.gz UXKNYIVGXDQCGL-MRXNPFEDSA-N 0 3 379.505 0.142 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000580413200 1185223866 /nfs/dbraw/zinc/22/38/66/1185223866.db2.gz PEIDERAVGQQNBH-CLWJZODNSA-N 0 3 379.501 0.868 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000580422897 1185228129 /nfs/dbraw/zinc/22/81/29/1185228129.db2.gz UHQCRJISAUOGIP-IAGOWNOFSA-N 0 3 380.533 0.594 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)CCC(=O)OCc2ccccc2)CC1 ZINC000275886646 1185236019 /nfs/dbraw/zinc/23/60/19/1185236019.db2.gz MZZSIRKSRMATPQ-UHFFFAOYSA-N 0 3 383.514 0.677 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)C[C@@H]1O ZINC000580463177 1185239133 /nfs/dbraw/zinc/23/91/33/1185239133.db2.gz GVMLZWKGQBVITO-BPUTZDHNSA-N 0 3 395.887 0.701 20 0 GCADHN Cc1cc(C)nc(-n2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c(C(C)C)n2)n1 ZINC000580466425 1185239403 /nfs/dbraw/zinc/23/94/03/1185239403.db2.gz AKCUUFSDLLAWHO-HOCLYGCPSA-N 0 3 397.483 0.787 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000683945201 1185240886 /nfs/dbraw/zinc/24/08/86/1185240886.db2.gz IFIWUCRDYXAQDP-KDOFPFPSSA-N 0 3 394.497 0.747 20 0 GCADHN CCOC(=O)N1CCC(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000799823137 1185241289 /nfs/dbraw/zinc/24/12/89/1185241289.db2.gz XCCGPGKKKLLUAP-UHFFFAOYSA-N 0 3 390.550 0.553 20 0 GCADHN CNS(=O)(=O)CCNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000275897399 1185251595 /nfs/dbraw/zinc/25/15/95/1185251595.db2.gz MQBJWQOZWJYCKN-UHFFFAOYSA-N 0 3 397.545 0.043 20 0 GCADHN C[C@@H]1CN(C(=O)NCc2nnnn2CC2CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000548107815 1185261186 /nfs/dbraw/zinc/26/11/86/1185261186.db2.gz GMOICOSVQUWQRK-ZBFHGGJFSA-N 0 3 376.509 0.251 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)NC)c2)CC1 ZINC000275914002 1185271280 /nfs/dbraw/zinc/27/12/80/1185271280.db2.gz LFWNBGQVSFOOEE-HNNXBMFYSA-N 0 3 389.500 0.608 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCc3nnc(C)[nH]3)c2)CC1 ZINC000275916607 1185272465 /nfs/dbraw/zinc/27/24/65/1185272465.db2.gz SKUFYHNRXPMDAF-UHFFFAOYSA-N 0 3 385.472 0.552 20 0 GCADHN COc1ccc(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC(F)F ZINC000580571990 1185278499 /nfs/dbraw/zinc/27/84/99/1185278499.db2.gz KKJVTBOFGIJEJC-STQMWFEESA-N 0 3 398.410 0.793 20 0 GCADHN CN(C)[C@H]1CN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C[C@@H]1O ZINC000580581684 1185280993 /nfs/dbraw/zinc/28/09/93/1185280993.db2.gz NMASBUKXKMDDRH-GJZGRUSLSA-N 0 3 375.391 0.851 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCOCC1 ZINC000580595822 1185284812 /nfs/dbraw/zinc/28/48/12/1185284812.db2.gz YKFAJEVVZGKCJJ-KRWDZBQOSA-N 0 3 394.516 0.074 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)NCCc2ccc3c(c2)OCO3)CC1(C)C ZINC000580662392 1185301204 /nfs/dbraw/zinc/30/12/04/1185301204.db2.gz RWYSIVDZIVOBLL-UHFFFAOYSA-N 0 3 390.484 0.216 20 0 GCADHN CN1CCN(c2cc(C(=O)N3CCC[C@H](n4cc(CN)nn4)C3)ccn2)CC1 ZINC000580718269 1185312669 /nfs/dbraw/zinc/31/26/69/1185312669.db2.gz SEIFMNXLXILXSS-KRWDZBQOSA-N 0 3 384.488 0.361 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(C(F)F)c3Cl)CCN2C1=O ZINC000580726000 1185315782 /nfs/dbraw/zinc/31/57/82/1185315782.db2.gz HAKCIVQGWWBCJB-WCBMZHEXSA-N 0 3 386.786 0.987 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)NCCS(=O)(=O)NC)c1cccc(OC)c1 ZINC000275935358 1185320007 /nfs/dbraw/zinc/32/00/07/1185320007.db2.gz RQVMSOUHDXRQMD-INIZCTEOSA-N 0 3 386.518 0.927 20 0 GCADHN CCOC(=O)COc1cccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000510341264 1185326649 /nfs/dbraw/zinc/32/66/49/1185326649.db2.gz KQQQGGCMNACZKE-AWEZNQCLSA-N 0 3 377.441 0.977 20 0 GCADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cn1 ZINC000275957661 1185336173 /nfs/dbraw/zinc/33/61/73/1185336173.db2.gz BZXUJVRTFJIVSZ-CYBMUJFWSA-N 0 3 391.472 0.886 20 0 GCADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000275971720 1185345467 /nfs/dbraw/zinc/34/54/67/1185345467.db2.gz HKWFNJHIHFISBL-CQSZACIVSA-N 0 3 390.509 0.563 20 0 GCADHN CNS(=O)(=O)CCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000275974111 1185346803 /nfs/dbraw/zinc/34/68/03/1185346803.db2.gz HUVMKJFVXKMINY-MRXNPFEDSA-N 0 3 384.502 0.681 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)CNC(=O)N3CCc4ccccc4C3)C2)nn1 ZINC000580773378 1185353635 /nfs/dbraw/zinc/35/36/35/1185353635.db2.gz LLIXJHGLPVQCDQ-GOSISDBHSA-N 0 3 397.483 0.668 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1C ZINC000275985214 1185367600 /nfs/dbraw/zinc/36/76/00/1185367600.db2.gz FBCABKJAPVZFNT-ZDUSSCGKSA-N 0 3 394.497 0.608 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)ccc1C ZINC000275985209 1185367920 /nfs/dbraw/zinc/36/79/20/1185367920.db2.gz FBCABKJAPVZFNT-CYBMUJFWSA-N 0 3 394.497 0.608 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656304307 1185377535 /nfs/dbraw/zinc/37/75/35/1185377535.db2.gz VXOVYTJCIPTCII-SFFUCWETSA-N 0 3 382.549 0.837 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000656313552 1185395799 /nfs/dbraw/zinc/39/57/99/1185395799.db2.gz YKQXZSGCNNCSJM-UHFFFAOYSA-N 0 3 395.508 0.050 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000580857909 1185396616 /nfs/dbraw/zinc/39/66/16/1185396616.db2.gz DJQNKSINLVORAB-RDJZCZTQSA-N 0 3 392.475 0.747 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000580857910 1185396683 /nfs/dbraw/zinc/39/66/83/1185396683.db2.gz DJQNKSINLVORAB-WBVHZDCISA-N 0 3 392.475 0.747 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(Cl)c1 ZINC000580904512 1185410277 /nfs/dbraw/zinc/41/02/77/1185410277.db2.gz VMHHKYZIVZVKHZ-RISCZKNCSA-N 0 3 394.859 0.836 20 0 GCADHN CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000580904547 1185411369 /nfs/dbraw/zinc/41/13/69/1185411369.db2.gz WHMAYPKJGFLCLP-IRXDYDNUSA-N 0 3 387.484 0.873 20 0 GCADHN CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)C(N)=O ZINC000275999083 1185412759 /nfs/dbraw/zinc/41/27/59/1185412759.db2.gz VZMYYEYTHBXNDO-MRXNPFEDSA-N 0 3 392.525 0.843 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)CC1 ZINC000933013233 1185424669 /nfs/dbraw/zinc/42/46/69/1185424669.db2.gz LDLQFXZGOBSUEX-MCIONIFRSA-N 0 3 392.422 0.902 20 0 GCADHN CS(=O)(=O)c1ccccc1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656338332 1185434937 /nfs/dbraw/zinc/43/49/37/1185434937.db2.gz GLOLBFYKADNDQL-CVEARBPZSA-N 0 3 393.509 0.839 20 0 GCADHN Cn1ccnc1[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000656338793 1185435453 /nfs/dbraw/zinc/43/54/53/1185435453.db2.gz XSBMTYAHGUUDTA-VQHPVUNQSA-N 0 3 389.500 0.890 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000684122058 1185440893 /nfs/dbraw/zinc/44/08/93/1185440893.db2.gz PQXZKTHGENXNJB-MRXNPFEDSA-N 0 3 393.532 0.583 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC001687235576 1185451100 /nfs/dbraw/zinc/45/11/00/1185451100.db2.gz IWJBUGOGNWLGBN-XEZPLFJOSA-N 0 3 394.472 0.663 20 0 GCADHN Cc1cc(Cn2nnc(C(=O)NC[C@@H](C)CN3CCN(C)CC3)c2C)on1 ZINC000292112709 1185454004 /nfs/dbraw/zinc/45/40/04/1185454004.db2.gz AEJDDGTWSPUJFM-CYBMUJFWSA-N 0 3 375.477 0.545 20 0 GCADHN CN1CCN(C2CCN(C(=O)C(=O)NCC[C@H]3CCC4(CCC4)O3)CC2)CC1 ZINC000933058710 1185454239 /nfs/dbraw/zinc/45/42/39/1185454239.db2.gz DZCUHZITIHPGEA-GOSISDBHSA-N 0 3 392.544 0.833 20 0 GCADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356144 1185454275 /nfs/dbraw/zinc/45/42/75/1185454275.db2.gz QXALUBZYFSLZHA-IKGGRYGDSA-N 0 3 380.533 0.423 20 0 GCADHN O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656355642 1185455473 /nfs/dbraw/zinc/45/54/73/1185455473.db2.gz MKXMJXIVQCABOI-PMPSAXMXSA-N 0 3 377.489 0.182 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000656356827 1185455654 /nfs/dbraw/zinc/45/56/54/1185455654.db2.gz XHHVVNUNGLZBEZ-DLBZAZTESA-N 0 3 376.501 0.590 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356461 1185456899 /nfs/dbraw/zinc/45/68/99/1185456899.db2.gz DMTIKFPNOMEVQD-WDSOQIARSA-N 0 3 392.544 0.831 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000656356372 1185458453 /nfs/dbraw/zinc/45/84/53/1185458453.db2.gz STBLKTYLCXFQPO-QZTJIDSGSA-N 0 3 384.480 0.995 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCOC2(CCOCC2)CC1 ZINC000656356359 1185458526 /nfs/dbraw/zinc/45/85/26/1185458526.db2.gz SNROCSFUARYYJQ-DLBZAZTESA-N 0 3 379.501 0.918 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000656358151 1185458686 /nfs/dbraw/zinc/45/86/86/1185458686.db2.gz IXRGPACWSODLLH-MOPGFXCFSA-N 0 3 385.512 0.859 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@]2(CCCOC2)O1 ZINC000656357722 1185460043 /nfs/dbraw/zinc/46/00/43/1185460043.db2.gz LJRDHRFAHNMHGW-VIPLHTEESA-N 0 3 379.501 0.916 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)on1 ZINC000656359167 1185460688 /nfs/dbraw/zinc/46/06/88/1185460688.db2.gz OFLSVRIKZIOUDH-ZWKOTPCHSA-N 0 3 389.500 0.760 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)on1 ZINC000656359160 1185460827 /nfs/dbraw/zinc/46/08/27/1185460827.db2.gz OFLSVRIKZIOUDH-MSOLQXFVSA-N 0 3 389.500 0.760 20 0 GCADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000581029843 1185472679 /nfs/dbraw/zinc/47/26/79/1185472679.db2.gz TWTJBZHDVSVHGP-HZPDHXFCSA-N 0 3 385.505 0.302 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000581036481 1185474356 /nfs/dbraw/zinc/47/43/56/1185474356.db2.gz LKCFQRQZILSRGG-YWZLYKJASA-N 0 3 396.532 0.319 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)CSCC(=O)Nc2cc(C)on2)CC1 ZINC000048229492 1185477003 /nfs/dbraw/zinc/47/70/03/1185477003.db2.gz XUAZCLUSIDIIKZ-ZDUSSCGKSA-N 0 3 383.518 0.797 20 0 GCADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000581093930 1185494587 /nfs/dbraw/zinc/49/45/87/1185494587.db2.gz LWJDTDVRVNUKRW-BBWFWOEESA-N 0 3 390.532 0.884 20 0 GCADHN O=C(NCCn1cccn1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000581122035 1185505905 /nfs/dbraw/zinc/50/59/05/1185505905.db2.gz IBEDBDIWWAEMSU-SFHVURJKSA-N 0 3 385.468 0.407 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000684148772 1185506203 /nfs/dbraw/zinc/50/62/03/1185506203.db2.gz DXEBJMRTKYLLSK-OAHLLOKOSA-N 0 3 396.513 0.770 20 0 GCADHN O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000581129828 1185508647 /nfs/dbraw/zinc/50/86/47/1185508647.db2.gz AFSQVOVVENWJJT-OAHLLOKOSA-N 0 3 384.440 0.334 20 0 GCADHN COC(=O)COc1cccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000276038029 1185513355 /nfs/dbraw/zinc/51/33/55/1185513355.db2.gz JBHLTVUHTOZFER-CYBMUJFWSA-N 0 3 375.425 0.944 20 0 GCADHN COc1ccc(NC(=O)[C@H](C)NC2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000581187557 1185524946 /nfs/dbraw/zinc/52/49/46/1185524946.db2.gz CJJDJZWDDXFCBB-LBPRGKRZSA-N 0 3 383.470 0.795 20 0 GCADHN O=S(=O)(CCNC[C@@H](O)COc1ccc(F)cc1)NC[C@H]1CCCCO1 ZINC000581246481 1185552658 /nfs/dbraw/zinc/55/26/58/1185552658.db2.gz XMSHWOWAKNZOSH-NVXWUHKLSA-N 0 3 390.477 0.644 20 0 GCADHN CSc1ccc([C@@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000581262542 1185562029 /nfs/dbraw/zinc/56/20/29/1185562029.db2.gz XRAVPOHYTAHSGK-ZLDLUXBVSA-N 0 3 376.482 0.356 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000581299705 1185574067 /nfs/dbraw/zinc/57/40/67/1185574067.db2.gz XVZIWTUFZJSVDS-ZWKOTPCHSA-N 0 3 395.548 0.197 20 0 GCADHN CC(C)n1nnnc1CNCC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104345738 1185614784 /nfs/dbraw/zinc/61/47/84/1185614784.db2.gz QXALQDLOMIWGEX-QBPKDAKJSA-N 0 3 393.536 0.547 20 0 GCADHN COc1cncc(CNCC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104346985 1185619476 /nfs/dbraw/zinc/61/94/76/1185619476.db2.gz OLGYLXLKZSLDRE-YFHUEUNASA-N 0 3 391.516 0.779 20 0 GCADHN CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000581386841 1185628816 /nfs/dbraw/zinc/62/88/16/1185628816.db2.gz PUMPSYGVAJIHJZ-BBWFWOEESA-N 0 3 396.532 0.365 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000581385665 1185630275 /nfs/dbraw/zinc/63/02/75/1185630275.db2.gz JEWDDQLRJJLGHL-WMLDXEAASA-N 0 3 399.538 0.474 20 0 GCADHN COCCOCCOCCN(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000276187009 1185670816 /nfs/dbraw/zinc/67/08/16/1185670816.db2.gz DGNAUNHZWGELGW-UHFFFAOYSA-N 0 3 381.473 0.825 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C1 ZINC001021941257 1185681327 /nfs/dbraw/zinc/68/13/27/1185681327.db2.gz JSNOTMDKUNIWHI-PQEBFOHHSA-N 0 3 376.501 0.254 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)Nc1ccc2c(c1)OCCO2 ZINC000430602666 1185686596 /nfs/dbraw/zinc/68/65/96/1185686596.db2.gz HPUFOAVUXJBNRB-OAHLLOKOSA-N 0 3 388.468 0.540 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000581440974 1185692113 /nfs/dbraw/zinc/69/21/13/1185692113.db2.gz XWTLKPVZYUMGSQ-KBPBESRZSA-N 0 3 399.278 0.423 20 0 GCADHN Cc1cc(O)cc(=O)n1CCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000276261335 1185712972 /nfs/dbraw/zinc/71/29/72/1185712972.db2.gz PVKWGFUOYQXQMU-LJQANCHMSA-N 0 3 385.464 0.788 20 0 GCADHN C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581499324 1185729571 /nfs/dbraw/zinc/72/95/71/1185729571.db2.gz ASPOUYXTDVMRJL-FRFSOERESA-N 0 3 394.903 0.810 20 0 GCADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000642806691 1185730513 /nfs/dbraw/zinc/73/05/13/1185730513.db2.gz HOPIOBZWJUESCG-NVXWUHKLSA-N 0 3 395.463 0.297 20 0 GCADHN CC(C)OC[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCO1 ZINC000581502611 1185730527 /nfs/dbraw/zinc/73/05/27/1185730527.db2.gz WYIGVEPZZWQLJI-MOPGFXCFSA-N 0 3 391.512 0.928 20 0 GCADHN CC(C)OC[C@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCO1 ZINC000581502614 1185730649 /nfs/dbraw/zinc/73/06/49/1185730649.db2.gz WYIGVEPZZWQLJI-RTBURBONSA-N 0 3 391.512 0.928 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1C(N)=O ZINC000581523813 1185742310 /nfs/dbraw/zinc/74/23/10/1185742310.db2.gz WTBUEVBARDIOGR-ZDUSSCGKSA-N 0 3 376.457 0.969 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)N[C@H]1CCOc2ccccc21 ZINC000430610998 1185752984 /nfs/dbraw/zinc/75/29/84/1185752984.db2.gz NBNOWRJVQSLTPA-AEFFLSMTSA-N 0 3 386.496 0.770 20 0 GCADHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430610288 1185755447 /nfs/dbraw/zinc/75/54/47/1185755447.db2.gz KEUPWICKKHZIPZ-IKGGRYGDSA-N 0 3 393.532 0.535 20 0 GCADHN CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OCC ZINC000581559610 1185761076 /nfs/dbraw/zinc/76/10/76/1185761076.db2.gz GFLYBYQHGUXUDN-CABCVRRESA-N 0 3 376.457 0.666 20 0 GCADHN Cc1ccc(CNC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)cc1F ZINC000430614061 1185768399 /nfs/dbraw/zinc/76/83/99/1185768399.db2.gz XQMVKSOYDFLFEJ-KRWDZBQOSA-N 0 3 376.476 0.894 20 0 GCADHN C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430614941 1185770294 /nfs/dbraw/zinc/77/02/94/1185770294.db2.gz ANXDAKAQJYOEPZ-GUDVDZBRSA-N 0 3 394.560 0.842 20 0 GCADHN Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H]2CN3CCN2CCC3)on1 ZINC000684318261 1185770419 /nfs/dbraw/zinc/77/04/19/1185770419.db2.gz MMWFUTCBVVHJTG-BQFCYCMXSA-N 0 3 379.480 0.744 20 0 GCADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430614945 1185770547 /nfs/dbraw/zinc/77/05/47/1185770547.db2.gz ANXDAKAQJYOEPZ-QYZOEREBSA-N 0 3 394.560 0.842 20 0 GCADHN COc1ccc(NC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)c(OC)c1 ZINC000430615760 1185777674 /nfs/dbraw/zinc/77/76/74/1185777674.db2.gz CZWFGNWAGVWVQI-OAHLLOKOSA-N 0 3 390.484 0.786 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC(C)(C)CS(N)(=O)=O ZINC001687335704 1185778536 /nfs/dbraw/zinc/77/85/36/1185778536.db2.gz BYXZLRLPOICKFS-ZDUSSCGKSA-N 0 3 376.523 0.196 20 0 GCADHN CCN(CC)S(=O)(=O)CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000510438716 1185799928 /nfs/dbraw/zinc/79/99/28/1185799928.db2.gz UWAAEDQVKCZPKX-UHFFFAOYSA-N 0 3 398.485 0.766 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NC(=O)NC1CCCCC1 ZINC000430637402 1185840961 /nfs/dbraw/zinc/84/09/61/1185840961.db2.gz BAXKNLHRZBDLSB-OAHLLOKOSA-N 0 3 379.505 0.289 20 0 GCADHN O=C(C(=O)N1CCn2c(nnc2C2CCCC2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000581712230 1185861112 /nfs/dbraw/zinc/86/11/12/1185861112.db2.gz ZWITUMZGGAXNIW-INIZCTEOSA-N 0 3 386.500 0.975 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H](CO)COC(C)C ZINC001211518067 1185866574 /nfs/dbraw/zinc/86/65/74/1185866574.db2.gz HOTPEDNZSKOANW-GHMZBOCLSA-N 0 3 379.397 0.918 20 0 GCADHN CS(=O)(=O)c1cccc(OCCN2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000430651126 1185872959 /nfs/dbraw/zinc/87/29/59/1185872959.db2.gz VRGIZSWIOUYPPZ-INIZCTEOSA-N 0 3 395.525 0.613 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(-c4ccncc4)cc3)CCN2C1=O ZINC000581737548 1185873410 /nfs/dbraw/zinc/87/34/10/1185873410.db2.gz KLZVATDQLUBCTC-ROUUACIJSA-N 0 3 393.447 0.135 20 0 GCADHN COc1ccc(C[C@@](C)(CO)NCC(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000933429714 1185887330 /nfs/dbraw/zinc/88/73/30/1185887330.db2.gz URLPLUOPJYLEQM-IBGZPJMESA-N 0 3 378.469 0.944 20 0 GCADHN C[C@](CO)(Cc1ccccc1F)NCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000933436420 1185890769 /nfs/dbraw/zinc/89/07/69/1185890769.db2.gz YFKVNJASTYMBED-HXUWFJFHSA-N 0 3 377.460 0.790 20 0 GCADHN COC(=O)[C@H]1C[C@H](O)CN1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000276562342 1185901783 /nfs/dbraw/zinc/90/17/83/1185901783.db2.gz HLMGQEVZFZPXJO-RBUKOAKNSA-N 0 3 389.496 0.638 20 0 GCADHN CSc1ccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2=O)cc1 ZINC000581836020 1185907479 /nfs/dbraw/zinc/90/74/79/1185907479.db2.gz QSXBJJSLFJKZKI-XNRPHZJLSA-N 0 3 388.493 0.532 20 0 GCADHN CN(C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCCC1)Cc1ccccc1 ZINC000891535537 1185908588 /nfs/dbraw/zinc/90/85/88/1185908588.db2.gz UFXDJDPCZIFCDQ-QGZVFWFLSA-N 0 3 382.530 0.884 20 0 GCADHN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430665375 1185927937 /nfs/dbraw/zinc/92/79/37/1185927937.db2.gz MQBBUFZYKLKVLB-ZBFHGGJFSA-N 0 3 387.484 0.256 20 0 GCADHN CO[C@@H](CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CCCC1 ZINC000656938831 1185947525 /nfs/dbraw/zinc/94/75/25/1185947525.db2.gz QVSFADOACRSOHR-SJORKVTESA-N 0 3 387.546 0.760 20 0 GCADHN CN1CCN(C)[C@H](CNC(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000083651915 1185959026 /nfs/dbraw/zinc/95/90/26/1185959026.db2.gz HXSNGPDZMPVFEH-GOSISDBHSA-N 0 3 381.565 0.814 20 0 GCADHN C[C@@H]1OCC[C@]12CN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)CCO2 ZINC000471805989 1185968656 /nfs/dbraw/zinc/96/86/56/1185968656.db2.gz UQVZLYBEAQAKKD-FCEWJHQRSA-N 0 3 382.505 0.519 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2nc(=O)n(C)[n-]2)CC[N@@H+]1C ZINC001087168384 1185971294 /nfs/dbraw/zinc/97/12/94/1185971294.db2.gz JPPBANRQRKZZRD-FXUDXRNXSA-N 0 3 378.521 0.555 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2nc(=O)n(C)[n-]2)CC[N@H+]1C ZINC001087168384 1185971297 /nfs/dbraw/zinc/97/12/97/1185971297.db2.gz JPPBANRQRKZZRD-FXUDXRNXSA-N 0 3 378.521 0.555 20 0 GCADHN O=C(NCCc1nnc2n1CCCCC2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000891699467 1185983945 /nfs/dbraw/zinc/98/39/45/1185983945.db2.gz CIOYPKDQRAEFED-HZPDHXFCSA-N 0 3 376.505 0.788 20 0 GCADHN COC[C@@H](C)n1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000548343490 1185989648 /nfs/dbraw/zinc/98/96/48/1185989648.db2.gz ODTPKAOZOMHGCM-OAHLLOKOSA-N 0 3 378.477 0.862 20 0 GCADHN Cc1c(C(=O)N[C@@H]2CCN(C)C(=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000684485892 1186000576 /nfs/dbraw/zinc/00/05/76/1186000576.db2.gz PGVHTKLSSANLAS-OAHLLOKOSA-N 0 3 382.468 0.914 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCCCCc3ccc(F)cc3)CCN2C1=O ZINC000581955321 1186005746 /nfs/dbraw/zinc/00/57/46/1186005746.db2.gz ALJVFFGLCGUOCS-DLBZAZTESA-N 0 3 390.459 0.425 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCN(c4ccc(F)c(F)c4)C3=O)CCN2C1=O ZINC000581955180 1186005846 /nfs/dbraw/zinc/00/58/46/1186005846.db2.gz WRGUWYKWZXPJDM-YWPYICTPSA-N 0 3 378.379 0.088 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCn2cncn2)cc(N2CCN(C(C)C)CC2)c1 ZINC000276757253 1186020990 /nfs/dbraw/zinc/02/09/90/1186020990.db2.gz GLLPFLGVLWMVSY-UHFFFAOYSA-N 0 3 399.499 0.872 20 0 GCADHN CCCN(CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)CCN1C(=O)NC(C)(C)C1=O ZINC001691191167 1186025044 /nfs/dbraw/zinc/02/50/44/1186025044.db2.gz SNCHUTRLTKEPDA-KFWWJZLASA-N 0 3 380.489 0.713 20 0 GCADHN Cn1c2ncn(CCN3CCC[C@@H](C(=O)OC(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000156535884 1186034294 /nfs/dbraw/zinc/03/42/94/1186034294.db2.gz UDSCZHNZULIKOK-CYBMUJFWSA-N 0 3 391.472 0.487 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)nc1 ZINC000276773266 1186041530 /nfs/dbraw/zinc/04/15/30/1186041530.db2.gz IBKYNAICLTWXBR-ZDUSSCGKSA-N 0 3 384.506 0.137 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N3CC(N4CCCC4=O)C3)cc2)CC1 ZINC000891813733 1186057106 /nfs/dbraw/zinc/05/71/06/1186057106.db2.gz ZPXWRWLHSRAUTR-UHFFFAOYSA-N 0 3 385.512 0.950 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1 ZINC000328961466 1186059377 /nfs/dbraw/zinc/05/93/77/1186059377.db2.gz QCFVRMPBYNCZEN-UHFFFAOYSA-N 0 3 386.452 0.686 20 0 GCADHN CC[C@H](C)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000562947784 1186068268 /nfs/dbraw/zinc/06/82/68/1186068268.db2.gz SBBTYGZWVZVIIJ-ROUUACIJSA-N 0 3 380.533 0.642 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)NCCN1CCc2ccccc21 ZINC000510743988 1186096781 /nfs/dbraw/zinc/09/67/81/1186096781.db2.gz CJDCDVLWPZXGPO-DLBZAZTESA-N 0 3 394.541 0.615 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000510748567 1186098632 /nfs/dbraw/zinc/09/86/32/1186098632.db2.gz QEPUMLMFYQWGSN-CABCVRRESA-N 0 3 389.518 0.238 20 0 GCADHN COCc1cccc(CNC(=O)CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000510766525 1186104138 /nfs/dbraw/zinc/10/41/38/1186104138.db2.gz QLEIDYABHKHEES-DLBZAZTESA-N 0 3 383.514 0.899 20 0 GCADHN COc1ccccc1CCNC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510765769 1186104216 /nfs/dbraw/zinc/10/42/16/1186104216.db2.gz PDZQPOPAGSRDLQ-HOTGVXAUSA-N 0 3 383.514 0.804 20 0 GCADHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)(C)C2)C1 ZINC000933847097 1186108851 /nfs/dbraw/zinc/10/88/51/1186108851.db2.gz OBANHMZBTYTGPO-CVEARBPZSA-N 0 3 391.516 0.540 20 0 GCADHN CC1(C)CCN(CCNC(=O)C(=O)N(CCN2CCOCC2)CC2CC2)C1 ZINC000933852305 1186110185 /nfs/dbraw/zinc/11/01/85/1186110185.db2.gz MMWOBVHXQOIWPN-UHFFFAOYSA-N 0 3 380.533 0.405 20 0 GCADHN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)NC(=O)NC1CCCCC1 ZINC000510795731 1186111961 /nfs/dbraw/zinc/11/19/61/1186111961.db2.gz KUQAXZBVQPIJGN-NWANDNLSSA-N 0 3 388.534 0.983 20 0 GCADHN C[C@H](N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NC(=O)NC1CCCCC1 ZINC000510795730 1186112593 /nfs/dbraw/zinc/11/25/93/1186112593.db2.gz KUQAXZBVQPIJGN-CFVMTHIKSA-N 0 3 388.534 0.983 20 0 GCADHN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C[C@H]3CNCCO3)CC2)cc1 ZINC000431058982 1186113886 /nfs/dbraw/zinc/11/38/86/1186113886.db2.gz AUNWPYMGCKNLMD-KRWDZBQOSA-N 0 3 395.525 0.944 20 0 GCADHN COC(=O)CC[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C(=O)OC ZINC000276845257 1186115958 /nfs/dbraw/zinc/11/59/58/1186115958.db2.gz JWWIIWMKTHWVAS-QGZVFWFLSA-N 0 3 391.468 0.810 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891880989 1186121255 /nfs/dbraw/zinc/12/12/55/1186121255.db2.gz RHQAVGKXORDFBO-GDBMZVCRSA-N 0 3 388.440 0.827 20 0 GCADHN COCCn1cc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)ccc1=O ZINC000610727387 1186151421 /nfs/dbraw/zinc/15/14/21/1186151421.db2.gz YVQNUNUOFFWBSW-GOSISDBHSA-N 0 3 376.501 0.735 20 0 GCADHN CN1CCN(C)CCN(C(=O)NCCN2CCN(c3ccccc3)CC2)CC1 ZINC000891923153 1186162318 /nfs/dbraw/zinc/16/23/18/1186162318.db2.gz LFLFEIJZLKWUNL-UHFFFAOYSA-N 0 3 388.560 0.697 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21)CN1CCN(C)CC1 ZINC000471959325 1186165846 /nfs/dbraw/zinc/16/58/46/1186165846.db2.gz UGDDIFFYJZXORE-CABCVRRESA-N 0 3 386.500 0.681 20 0 GCADHN Cc1cc(C(=O)NC[C@@H]2NCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C ZINC000582002236 1186179875 /nfs/dbraw/zinc/17/98/75/1186179875.db2.gz VWKKXQIPYIYLIJ-INIZCTEOSA-N 0 3 393.447 0.557 20 0 GCADHN Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC[C@H]1COCCO1 ZINC001707906522 1186181572 /nfs/dbraw/zinc/18/15/72/1186181572.db2.gz CDWFMECNLLGROH-DLBZAZTESA-N 0 3 392.504 0.135 20 0 GCADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000410444852 1186187977 /nfs/dbraw/zinc/18/79/77/1186187977.db2.gz IQQCJDCQXRZRII-HXUWFJFHSA-N 0 3 395.500 0.501 20 0 GCADHN Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000684587312 1186203174 /nfs/dbraw/zinc/20/31/74/1186203174.db2.gz WQYPMYHLEJIUSV-UHFFFAOYSA-N 0 3 380.474 0.304 20 0 GCADHN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CN2CCN1CCC2 ZINC000535716992 1186205080 /nfs/dbraw/zinc/20/50/80/1186205080.db2.gz GTCLPQIYPNFWEI-QGZVFWFLSA-N 0 3 378.498 0.800 20 0 GCADHN C[C@@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000535727378 1186205317 /nfs/dbraw/zinc/20/53/17/1186205317.db2.gz IQKURBWYMCXDCP-HZPDHXFCSA-N 0 3 386.562 0.479 20 0 GCADHN CCOC(=O)c1cnn2c1nccc2C(=O)NCCCCN1CCN(C)CC1 ZINC000535720939 1186205664 /nfs/dbraw/zinc/20/56/64/1186205664.db2.gz BXLMQLKSBGNXNL-UHFFFAOYSA-N 0 3 388.472 0.663 20 0 GCADHN O=C(CN1CC[C@H](CN2CCOCC2)C1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000129694312 1186207947 /nfs/dbraw/zinc/20/79/47/1186207947.db2.gz HSPJHDNFZWXUOL-GOSISDBHSA-N 0 3 392.544 0.502 20 0 GCADHN COc1ncc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c(C)n1 ZINC001022475462 1186209001 /nfs/dbraw/zinc/20/90/01/1186209001.db2.gz APFYJAFIUHHGJE-ZOFXXKQRSA-N 0 3 376.457 0.582 20 0 GCADHN CN(CCN[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691400646 1186209050 /nfs/dbraw/zinc/20/90/50/1186209050.db2.gz VNOJTOIREFHXEM-QUGYJXMDSA-N 0 3 375.391 0.621 20 0 GCADHN COc1coc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1=O ZINC001022476660 1186210738 /nfs/dbraw/zinc/21/07/38/1186210738.db2.gz YDZNKVDFQGNUNY-FRTWLMODSA-N 0 3 378.425 0.437 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)c2)CC1 ZINC000535776100 1186213921 /nfs/dbraw/zinc/21/39/21/1186213921.db2.gz BBAXMTQQHVXVNF-OAHLLOKOSA-N 0 3 389.500 0.748 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)CC1 ZINC000427131706 1186218354 /nfs/dbraw/zinc/21/83/54/1186218354.db2.gz UVBGHNWKSFGDBZ-UHFFFAOYSA-N 0 3 399.495 0.621 20 0 GCADHN CS(=O)(=O)NCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277025889 1186230048 /nfs/dbraw/zinc/23/00/48/1186230048.db2.gz NLPZMZLZGXAICV-INIZCTEOSA-N 0 3 384.502 0.126 20 0 GCADHN CC(C)NS(=O)(=O)NCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000277046027 1186232087 /nfs/dbraw/zinc/23/20/87/1186232087.db2.gz PTSJQLWNZGTSOR-UHFFFAOYSA-N 0 3 381.458 0.727 20 0 GCADHN CCS(=O)(=O)NCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277113986 1186242295 /nfs/dbraw/zinc/24/22/95/1186242295.db2.gz XWWOKOVURKWVEZ-QGZVFWFLSA-N 0 3 398.529 0.516 20 0 GCADHN COC(=O)C1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000610845106 1186244899 /nfs/dbraw/zinc/24/48/99/1186244899.db2.gz AVWHASGNMAMUID-GPANFISMSA-N 0 3 380.489 0.666 20 0 GCADHN COC(=O)C1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000610845107 1186245330 /nfs/dbraw/zinc/24/53/30/1186245330.db2.gz AVWHASGNMAMUID-UYSNPLJNSA-N 0 3 380.489 0.666 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC000277130481 1186247209 /nfs/dbraw/zinc/24/72/09/1186247209.db2.gz ONVSAMHQKCFLNV-KKSFZXQISA-N 0 3 388.512 0.536 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC000277130480 1186247648 /nfs/dbraw/zinc/24/76/48/1186247648.db2.gz ONVSAMHQKCFLNV-IIBYNOLFSA-N 0 3 388.512 0.536 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000891965380 1186251105 /nfs/dbraw/zinc/25/11/05/1186251105.db2.gz PRMSNZSDJYHTEV-SJORKVTESA-N 0 3 381.498 0.831 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](CNCc2ccnn2C)C1 ZINC001087191747 1186260727 /nfs/dbraw/zinc/26/07/27/1186260727.db2.gz CIDMGAZAROPXJK-SPUZQDLCSA-N 0 3 391.516 0.950 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](CNCc2cncn2C)C1 ZINC001087191711 1186260750 /nfs/dbraw/zinc/26/07/50/1186260750.db2.gz AMMOXKYRBNTXBV-ATLSCFEFSA-N 0 3 391.516 0.950 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](CNCc2cnn(C)c2)C1 ZINC001087191898 1186261916 /nfs/dbraw/zinc/26/19/16/1186261916.db2.gz LWVDRJKZRMLKOF-SPUZQDLCSA-N 0 3 391.516 0.950 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)C[C@H]1N(C)C ZINC000277162160 1186262457 /nfs/dbraw/zinc/26/24/57/1186262457.db2.gz QVPJJCCHORLNTB-GPMSIDNRSA-N 0 3 377.510 0.897 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471990174 1186271018 /nfs/dbraw/zinc/27/10/18/1186271018.db2.gz DEROCCHZOUASEM-KGLIPLIRSA-N 0 3 378.439 0.930 20 0 GCADHN Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001707915064 1186272194 /nfs/dbraw/zinc/27/21/94/1186272194.db2.gz FWKBOBLFUUZJLN-FUHWJXTLSA-N 0 3 378.521 0.466 20 0 GCADHN Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001707915065 1186272446 /nfs/dbraw/zinc/27/24/46/1186272446.db2.gz FWKBOBLFUUZJLN-SJLPKXTDSA-N 0 3 378.521 0.466 20 0 GCADHN Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCCC(=O)NC1CC1 ZINC001707915614 1186272902 /nfs/dbraw/zinc/27/29/02/1186272902.db2.gz URBFLRCSDCQEFH-MRXNPFEDSA-N 0 3 376.505 0.804 20 0 GCADHN CN(C)CCn1cc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)ccc1=O ZINC000535896349 1186273346 /nfs/dbraw/zinc/27/33/46/1186273346.db2.gz LDUHRXZYQURGEU-AWEZNQCLSA-N 0 3 381.458 0.369 20 0 GCADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)C1 ZINC000611021360 1186283142 /nfs/dbraw/zinc/28/31/42/1186283142.db2.gz DAPIKDRSKPODMZ-JKSUJKDBSA-N 0 3 391.534 0.189 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)C[C@@H]1O ZINC000582012262 1186285565 /nfs/dbraw/zinc/28/55/65/1186285565.db2.gz CAQIWRFADADNCI-HOTGVXAUSA-N 0 3 381.498 0.608 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](CNCc2cnnn2C)C1 ZINC001087194172 1186289575 /nfs/dbraw/zinc/28/95/75/1186289575.db2.gz IPEJUOKLDCYQQS-CFVWQIKISA-N 0 3 377.489 0.583 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000047882647 1186309480 /nfs/dbraw/zinc/30/94/80/1186309480.db2.gz ULHALMDZQMUDPN-INIZCTEOSA-N 0 3 377.489 0.926 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccnn1[C@H]1CCOC1 ZINC000934139252 1186311421 /nfs/dbraw/zinc/31/14/21/1186311421.db2.gz XGWNMCCFUYAFNZ-GJZGRUSLSA-N 0 3 378.477 0.909 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)NCCc2cccnc2C)CC1 ZINC000934146462 1186312928 /nfs/dbraw/zinc/31/29/28/1186312928.db2.gz INFHYRUIAAQHIN-UHFFFAOYSA-N 0 3 383.452 0.801 20 0 GCADHN CCc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cnn1-c1ccccc1OC ZINC000582014094 1186315537 /nfs/dbraw/zinc/31/55/37/1186315537.db2.gz HDYQQZWVDOIWOB-UKRRQHHQSA-N 0 3 383.452 0.827 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)N(CCOC)CCN(C)C)C1=O ZINC000277294211 1186321060 /nfs/dbraw/zinc/32/10/60/1186321060.db2.gz RFQBYQBEQBYVQD-HNNXBMFYSA-N 0 3 380.493 0.618 20 0 GCADHN COC(=O)c1cn(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000277296639 1186322507 /nfs/dbraw/zinc/32/25/07/1186322507.db2.gz JMBGFLQFLAEFPG-INIZCTEOSA-N 0 3 387.440 0.472 20 0 GCADHN COc1cc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)ccc1OCC(N)=O ZINC000892068420 1186326797 /nfs/dbraw/zinc/32/67/97/1186326797.db2.gz NINZABIGYROVKH-HUUCEWRRSA-N 0 3 376.457 0.937 20 0 GCADHN Cc1nnc2n1C[C@H](NC(=O)N1CC[C@@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000611563724 1186327518 /nfs/dbraw/zinc/32/75/18/1186327518.db2.gz QAEREWYDEAXVOV-IAGOWNOFSA-N 0 3 375.521 0.711 20 0 GCADHN COc1ccc(CC[C@H](C)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1O ZINC000277317485 1186329622 /nfs/dbraw/zinc/32/96/22/1186329622.db2.gz WHWTVMLSLUWTIA-XIRDDKMYSA-N 0 3 398.525 0.809 20 0 GCADHN C[C@H](CNC(=O)CSc1nnnn1CC(F)(F)F)CN1CCN(C)CC1 ZINC000511040000 1186345955 /nfs/dbraw/zinc/34/59/55/1186345955.db2.gz KFTUEPVYNBNDTJ-LLVKDONJSA-N 0 3 395.455 0.327 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472099839 1186350332 /nfs/dbraw/zinc/35/03/32/1186350332.db2.gz KYISMPQNCFMZMM-DLBZAZTESA-N 0 3 388.578 0.723 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@H](CN(C)C)C2)C1=O ZINC000277376429 1186353510 /nfs/dbraw/zinc/35/35/10/1186353510.db2.gz ZXPAGNAUUASWOA-HUUCEWRRSA-N 0 3 378.477 0.370 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000277393416 1186359711 /nfs/dbraw/zinc/35/97/11/1186359711.db2.gz DVDFEYYUEFBKLB-MSOLQXFVSA-N 0 3 387.484 0.697 20 0 GCADHN O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277393377 1186359961 /nfs/dbraw/zinc/35/99/61/1186359961.db2.gz DUPWHFQBWFJVII-GOSISDBHSA-N 0 3 395.525 0.124 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000277391778 1186360505 /nfs/dbraw/zinc/36/05/05/1186360505.db2.gz ANZJRSVYEYUOAJ-HDICACEKSA-N 0 3 390.484 0.028 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@@]3(F)CCS(=O)(=O)C3)cc21 ZINC001125576463 1186362472 /nfs/dbraw/zinc/36/24/72/1186362472.db2.gz VDWTVNIOTUTSOC-MRXNPFEDSA-N 0 3 385.417 0.621 20 0 GCADHN Cc1sc(=O)n(CCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1C ZINC000115368141 1186362528 /nfs/dbraw/zinc/36/25/28/1186362528.db2.gz HJGMMAXMSZXTAO-UHFFFAOYSA-N 0 3 380.514 0.683 20 0 GCADHN COc1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)ccc1OCCO ZINC000892135452 1186365033 /nfs/dbraw/zinc/36/50/33/1186365033.db2.gz RTTVACFIPQOSBR-IRXDYDNUSA-N 0 3 393.484 0.807 20 0 GCADHN c1cnc(N2CCN(CCCCN3CCN(c4cnccn4)CC3)CC2)cn1 ZINC000157549598 1186365050 /nfs/dbraw/zinc/36/50/50/1186365050.db2.gz SGBMBMAEFLJUDJ-UHFFFAOYSA-N 0 3 382.516 0.991 20 0 GCADHN O=C(NCCN1C(=O)CNC1=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277406911 1186367336 /nfs/dbraw/zinc/36/73/36/1186367336.db2.gz FJPFKASEPGJDEA-INIZCTEOSA-N 0 3 389.456 0.129 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@@H]2CCCC[C@H]21 ZINC000582021394 1186372622 /nfs/dbraw/zinc/37/26/22/1186372622.db2.gz JIQLCGZDXAJBNI-CEXWTWQISA-N 0 3 394.560 0.530 20 0 GCADHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000106172199 1186377172 /nfs/dbraw/zinc/37/71/72/1186377172.db2.gz KSHQZMNEBZYPHN-UHFFFAOYSA-N 0 3 394.541 0.766 20 0 GCADHN CN(C)Cc1ccc(-c2noc(CN3CCN(S(C)(=O)=O)CC3)n2)cc1 ZINC000277438371 1186382257 /nfs/dbraw/zinc/38/22/57/1186382257.db2.gz GSIXSUMTNCGVAH-UHFFFAOYSA-N 0 3 379.486 0.875 20 0 GCADHN NC(=O)CSc1ccccc1NC(=O)CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934254340 1186382632 /nfs/dbraw/zinc/38/26/32/1186382632.db2.gz JKYZLJNBHMGUBA-HOTGVXAUSA-N 0 3 392.525 0.734 20 0 GCADHN CNS(=O)(=O)CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277465798 1186402332 /nfs/dbraw/zinc/40/23/32/1186402332.db2.gz MCEOSOLMYXHSOJ-MRXNPFEDSA-N 0 3 384.502 0.126 20 0 GCADHN CNS(=O)(=O)CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277465797 1186402915 /nfs/dbraw/zinc/40/29/15/1186402915.db2.gz MCEOSOLMYXHSOJ-INIZCTEOSA-N 0 3 384.502 0.126 20 0 GCADHN CC[C@@H]1CN(c2nnc(C)n2CCCN2CCOCC2)CCN1CCOC ZINC001709321743 1186419547 /nfs/dbraw/zinc/41/95/47/1186419547.db2.gz GIWIQVFGQQTYSY-GOSISDBHSA-N 0 3 380.537 0.856 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)CNS(=O)(=O)c2ccccc2F)CC1 ZINC000582123777 1186426609 /nfs/dbraw/zinc/42/66/09/1186426609.db2.gz JJLBNUPZJWERDH-CQSZACIVSA-N 0 3 386.493 0.246 20 0 GCADHN C[C@H]1NCCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1C ZINC000277488052 1186427882 /nfs/dbraw/zinc/42/78/82/1186427882.db2.gz NIQIUWAFLLTREO-RTWZZBQXSA-N 0 3 393.509 0.930 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1 ZINC000152270603 1186444573 /nfs/dbraw/zinc/44/45/73/1186444573.db2.gz LNGLQZWKELQYHT-QGZVFWFLSA-N 0 3 386.431 0.785 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ccc4c(c3)C(=O)N(CC3CC3)C4=O)CCN2C1=O ZINC000582192233 1186459452 /nfs/dbraw/zinc/45/94/52/1186459452.db2.gz CDUFWZUDGMHUTD-CZUORRHYSA-N 0 3 397.435 0.468 20 0 GCADHN CCOCCOc1cc(C)ccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582193025 1186460324 /nfs/dbraw/zinc/46/03/24/1186460324.db2.gz DUZSMPIZBDGDIB-DLBZAZTESA-N 0 3 390.484 0.864 20 0 GCADHN CCOCCOc1cc(C)ccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582193027 1186461009 /nfs/dbraw/zinc/46/10/09/1186461009.db2.gz DUZSMPIZBDGDIB-IRXDYDNUSA-N 0 3 390.484 0.864 20 0 GCADHN CSC[C@@H](C)C(=O)N1CCC(C(=O)NC[C@]2(O)CN3CCC2CC3)CC1 ZINC000564667005 1186465092 /nfs/dbraw/zinc/46/50/92/1186465092.db2.gz LUDJUJSIGFWUEB-KUHUBIRLSA-N 0 3 383.558 0.797 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000582231454 1186470160 /nfs/dbraw/zinc/47/01/60/1186470160.db2.gz XGYHXPYVVYSNPV-MRXNPFEDSA-N 0 3 376.457 0.273 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000582245204 1186473806 /nfs/dbraw/zinc/47/38/06/1186473806.db2.gz CNBPVJPQNHGYOG-MRXNPFEDSA-N 0 3 398.529 0.802 20 0 GCADHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1N[C@H]1CCC(=O)NC1=O ZINC001167559629 1186482515 /nfs/dbraw/zinc/48/25/15/1186482515.db2.gz JDHMRPIPVPEFCE-OCCSQVGLSA-N 0 3 392.456 0.404 20 0 GCADHN CN(C)[C@@H](CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)c1ccccc1 ZINC000109412536 1186484199 /nfs/dbraw/zinc/48/41/99/1186484199.db2.gz XUHFHYCTDIZITO-ZDUSSCGKSA-N 0 3 384.440 0.302 20 0 GCADHN Cc1c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000548722154 1186490110 /nfs/dbraw/zinc/49/01/10/1186490110.db2.gz BMPAXGYPKKXLOJ-AWEZNQCLSA-N 0 3 387.484 0.791 20 0 GCADHN Cc1c(C(=O)NC[C@H]2N(C)CCCC2(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000548722157 1186490187 /nfs/dbraw/zinc/49/01/87/1186490187.db2.gz BMPAXGYPKKXLOJ-CQSZACIVSA-N 0 3 387.484 0.791 20 0 GCADHN CCNC(=O)NC(=O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000109676005 1186492347 /nfs/dbraw/zinc/49/23/47/1186492347.db2.gz LDYJJAUUEAOKKF-KRWDZBQOSA-N 0 3 388.516 0.761 20 0 GCADHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582312932 1186493678 /nfs/dbraw/zinc/49/36/78/1186493678.db2.gz QGRBWJSTCZGUIX-CVEARBPZSA-N 0 3 385.468 0.304 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)CCC2CCCC2)CC1 ZINC000152394177 1186496121 /nfs/dbraw/zinc/49/61/21/1186496121.db2.gz JWUJJTVPLKEEAW-KRWDZBQOSA-N 0 3 378.517 0.838 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000582348192 1186500322 /nfs/dbraw/zinc/50/03/22/1186500322.db2.gz RLXYATLUNDJSJS-GJZGRUSLSA-N 0 3 383.470 0.749 20 0 GCADHN O=C(NC[C@H]1CNCCO1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000582348193 1186500449 /nfs/dbraw/zinc/50/04/49/1186500449.db2.gz RLXYATLUNDJSJS-HUUCEWRRSA-N 0 3 383.470 0.749 20 0 GCADHN C[C@@H](NCC(=O)N1CCNCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000582354529 1186502280 /nfs/dbraw/zinc/50/22/80/1186502280.db2.gz XBSNSVCMSVCQSA-MRXNPFEDSA-N 0 3 394.541 0.944 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 ZINC000152417085 1186509351 /nfs/dbraw/zinc/50/93/51/1186509351.db2.gz KOJNGFFLEAZACV-INIZCTEOSA-N 0 3 383.456 0.105 20 0 GCADHN CCc1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1S(C)(=O)=O ZINC000909321368 1186509887 /nfs/dbraw/zinc/50/98/87/1186509887.db2.gz POEYAHCUUSYZMS-UHFFFAOYSA-N 0 3 395.525 0.984 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@@H]2C1 ZINC001022725677 1186510567 /nfs/dbraw/zinc/51/05/67/1186510567.db2.gz WLCTULQLHRVWBL-VVLHAWIVSA-N 0 3 390.528 0.502 20 0 GCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)CCC2 ZINC000582387769 1186511851 /nfs/dbraw/zinc/51/18/51/1186511851.db2.gz LCOZGPSXKCOZPR-YOEHRIQHSA-N 0 3 389.500 0.790 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001022731837 1186521438 /nfs/dbraw/zinc/52/14/38/1186521438.db2.gz HAMKJZDRTYPNHW-XOYOTBSWSA-N 0 3 384.480 0.543 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCn3c(nnc3C(C)(C)C)C2)C1 ZINC000582431323 1186531171 /nfs/dbraw/zinc/53/11/71/1186531171.db2.gz ABQIGIBOTZOQMQ-AWEZNQCLSA-N 0 3 376.505 0.859 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC(N3CCOC[C@H]3C)CC2)C1 ZINC000563365947 1186541272 /nfs/dbraw/zinc/54/12/72/1186541272.db2.gz WKAQUXBKBMMUEQ-IAGOWNOFSA-N 0 3 381.517 0.973 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC(N3CCOC[C@@H]3C)CC2)C1 ZINC000563365951 1186541657 /nfs/dbraw/zinc/54/16/57/1186541657.db2.gz WKAQUXBKBMMUEQ-IRXDYDNUSA-N 0 3 381.517 0.973 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@@]2(CCCOC2)O1 ZINC000582472526 1186545480 /nfs/dbraw/zinc/54/54/80/1186545480.db2.gz MROJKCUOKKJBFG-MBOZVWFJSA-N 0 3 379.501 0.870 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@@]2(CCCOC2)O1 ZINC000582472524 1186545836 /nfs/dbraw/zinc/54/58/36/1186545836.db2.gz MROJKCUOKKJBFG-FUHIMQAGSA-N 0 3 379.501 0.870 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](CNCc2cnnn2C)C1 ZINC001087211999 1186548134 /nfs/dbraw/zinc/54/81/34/1186548134.db2.gz KBKMYLVHUFTQPA-YQFWSFKMSA-N 0 3 392.504 0.168 20 0 GCADHN NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)O1 ZINC000277643978 1186549540 /nfs/dbraw/zinc/54/95/40/1186549540.db2.gz MCFWDXOGTRWUFW-BZSNNMDCSA-N 0 3 390.484 0.610 20 0 GCADHN CC(C)c1nc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)n[nH]1 ZINC001087212306 1186550701 /nfs/dbraw/zinc/55/07/01/1186550701.db2.gz VXNFRRGXPNOTCW-CBBWQLFWSA-N 0 3 392.504 0.678 20 0 GCADHN Cc1ccn2c(c1)ncc(C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)c2=O ZINC000152632210 1186555518 /nfs/dbraw/zinc/55/55/18/1186555518.db2.gz RNOQMYLHQCSGDZ-INIZCTEOSA-N 0 3 383.452 0.382 20 0 GCADHN CCc1n[nH]c(=O)c(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1CC ZINC000159083821 1186557680 /nfs/dbraw/zinc/55/76/80/1186557680.db2.gz UWCROHWOLKNWJQ-CQSZACIVSA-N 0 3 378.521 0.577 20 0 GCADHN C[C@@H]1OCC[C@@]1(O)CNCc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC000657456503 1186563226 /nfs/dbraw/zinc/56/32/26/1186563226.db2.gz YYPKAHPRGNKGMG-RNODOKPDSA-N 0 3 384.436 0.846 20 0 GCADHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582556906 1186565592 /nfs/dbraw/zinc/56/55/92/1186565592.db2.gz IJGXLFNTGNSCMF-XDTLVQLUSA-N 0 3 387.406 0.936 20 0 GCADHN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000582556550 1186565879 /nfs/dbraw/zinc/56/58/79/1186565879.db2.gz FZUWXBGGVSOTRR-SJORKVTESA-N 0 3 386.496 0.874 20 0 GCADHN CN(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1 ZINC000611625323 1186572260 /nfs/dbraw/zinc/57/22/60/1186572260.db2.gz CAEPEUXZMVZKAF-INIZCTEOSA-N 0 3 383.518 0.423 20 0 GCADHN COC(=O)[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)cc1 ZINC000277714804 1186575333 /nfs/dbraw/zinc/57/53/33/1186575333.db2.gz XOXAVINQCNIPHT-ZBFHGGJFSA-N 0 3 379.432 0.609 20 0 GCADHN CS(=O)(=O)N1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000582609375 1186584595 /nfs/dbraw/zinc/58/45/95/1186584595.db2.gz OLHXGJOPUUUMEG-IRXDYDNUSA-N 0 3 380.514 0.984 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000582609371 1186584796 /nfs/dbraw/zinc/58/47/96/1186584796.db2.gz OLHXGJOPUUUMEG-DLBZAZTESA-N 0 3 380.514 0.984 20 0 GCADHN O=C(NC[C@H]1Cc2ccccc2CN1)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000892276552 1186598112 /nfs/dbraw/zinc/59/81/12/1186598112.db2.gz HJJCOSYVXPXMNA-DLBZAZTESA-N 0 3 392.467 0.717 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000116083120 1186600146 /nfs/dbraw/zinc/60/01/46/1186600146.db2.gz OOOFZZRKQPGISK-UHFFFAOYSA-N 0 3 394.426 0.849 20 0 GCADHN CCc1ccnc(CNC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1 ZINC000511179685 1186605641 /nfs/dbraw/zinc/60/56/41/1186605641.db2.gz ADYDEGIRHQBISG-UHFFFAOYSA-N 0 3 389.500 0.273 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC1 ZINC000277780771 1186605670 /nfs/dbraw/zinc/60/56/70/1186605670.db2.gz LWNAREVCIAGKSJ-IAGOWNOFSA-N 0 3 388.516 0.571 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC1 ZINC000277780779 1186605863 /nfs/dbraw/zinc/60/58/63/1186605863.db2.gz LWNAREVCIAGKSJ-SJORKVTESA-N 0 3 388.516 0.571 20 0 GCADHN Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(O[C@@H]2CCOC2)c1 ZINC000582677524 1186606537 /nfs/dbraw/zinc/60/65/37/1186606537.db2.gz YYUBOCMRACBFPR-BRWVUGGUSA-N 0 3 388.468 0.616 20 0 GCADHN CCNC(=O)N1CCc2ccc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc21 ZINC000582676977 1186607163 /nfs/dbraw/zinc/60/71/63/1186607163.db2.gz JMJBZVWKQCGHNU-CABCVRRESA-N 0 3 386.456 0.554 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)CC1 ZINC000657522174 1186609610 /nfs/dbraw/zinc/60/96/10/1186609610.db2.gz HXJRPRJBCVIPDV-UHFFFAOYSA-N 0 3 387.484 0.055 20 0 GCADHN CN1CCN(C)[C@H](CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000277788236 1186610278 /nfs/dbraw/zinc/61/02/78/1186610278.db2.gz ZXXJNDWNXPBUEP-UXHICEINSA-N 0 3 389.544 0.823 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(cc[nH]c3=O)c2)CC1 ZINC000657521330 1186610446 /nfs/dbraw/zinc/61/04/46/1186610446.db2.gz HJTCLKSDAVSUOG-CQSZACIVSA-N 0 3 385.468 0.609 20 0 GCADHN CN1CCN(C)[C@@H](CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000277788230 1186610599 /nfs/dbraw/zinc/61/05/99/1186610599.db2.gz ZXXJNDWNXPBUEP-PMACEKPBSA-N 0 3 389.544 0.823 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(OCC(F)(F)C(F)F)nc3)CCN2C1=O ZINC000563439413 1186614453 /nfs/dbraw/zinc/61/44/53/1186614453.db2.gz GFBNUOOCVOYQEZ-GHMZBOCLSA-N 0 3 390.337 0.745 20 0 GCADHN C[C@H](CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000074612773 1186625605 /nfs/dbraw/zinc/62/56/05/1186625605.db2.gz WNYOAGNRHBAZPU-IAGOWNOFSA-N 0 3 377.537 0.572 20 0 GCADHN O=C(CN1CCC[C@H]1CCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC1 ZINC001267171857 1186630414 /nfs/dbraw/zinc/63/04/14/1186630414.db2.gz POITWJYSHZEYPI-MJQMVNBJSA-N 0 3 379.501 0.631 20 0 GCADHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000657551351 1186630626 /nfs/dbraw/zinc/63/06/26/1186630626.db2.gz GXUUTBZDEAKHEM-UHFFFAOYSA-N 0 3 386.452 0.982 20 0 GCADHN CC(=O)NCCNC(=O)CCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000118341564 1186634602 /nfs/dbraw/zinc/63/46/02/1186634602.db2.gz XNZUQNKCUKLQKX-UHFFFAOYSA-N 0 3 378.473 0.735 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC3(C2)CCOCC3)CC1 ZINC000076158061 1186634741 /nfs/dbraw/zinc/63/47/41/1186634741.db2.gz IYIYAQNQVXMSDV-UHFFFAOYSA-N 0 3 380.533 0.548 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)CCN2C1=O ZINC000582736553 1186643551 /nfs/dbraw/zinc/64/35/51/1186643551.db2.gz AEZURDARTOULPT-NXEZZACHSA-N 0 3 392.366 0.209 20 0 GCADHN CC(C)C(=O)N1CCC(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000153185576 1186651389 /nfs/dbraw/zinc/65/13/89/1186651389.db2.gz PYWCOOQRVOPEAW-QGZVFWFLSA-N 0 3 378.517 0.646 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3nc(C)nn3c2)CC1 ZINC000582756061 1186659900 /nfs/dbraw/zinc/65/99/00/1186659900.db2.gz PWIJCVUWDKQTCH-CQSZACIVSA-N 0 3 387.488 0.366 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000153291017 1186665054 /nfs/dbraw/zinc/66/50/54/1186665054.db2.gz RDGNJZAOXICASG-QRQLOZEOSA-N 0 3 376.501 0.642 20 0 GCADHN CCn1ncc(C)c1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000657616020 1186665214 /nfs/dbraw/zinc/66/52/14/1186665214.db2.gz GEGMJBHDHPPSIW-AWEZNQCLSA-N 0 3 378.477 0.209 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2c(C)cnn2CC)CC1 ZINC000657623774 1186668341 /nfs/dbraw/zinc/66/83/41/1186668341.db2.gz ZEFKBTYCCUNCDV-UHFFFAOYSA-N 0 3 378.477 0.163 20 0 GCADHN Cc1cn2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2n1 ZINC000657623302 1186668723 /nfs/dbraw/zinc/66/87/23/1186668723.db2.gz ZXNDNYIAPCSFIB-UHFFFAOYSA-N 0 3 398.467 0.348 20 0 GCADHN Cn1cc([C@@H]2CN(CCC(=O)Nc3sccc3C(N)=O)C[C@H]2CO)cn1 ZINC000277896198 1186669356 /nfs/dbraw/zinc/66/93/56/1186669356.db2.gz WKMQUAGOQKXXJV-JSGCOSHPSA-N 0 3 377.470 0.617 20 0 GCADHN CNC(=O)COc1cccc(CC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000119948510 1186701345 /nfs/dbraw/zinc/70/13/45/1186701345.db2.gz MRKIQQQYEMPATG-INIZCTEOSA-N 0 3 376.501 0.354 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CC1 ZINC000120084677 1186705005 /nfs/dbraw/zinc/70/50/05/1186705005.db2.gz YUAXNKGVNWTUAE-UHFFFAOYSA-N 0 3 399.499 0.862 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC000972403074 1186705432 /nfs/dbraw/zinc/70/54/32/1186705432.db2.gz VGRJIYBTOOBWMC-QBPKDAKJSA-N 0 3 390.528 0.692 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)Cc1ccccc1 ZINC000048834425 1186706270 /nfs/dbraw/zinc/70/62/70/1186706270.db2.gz ZMQWTGZBQODHGY-SFHVURJKSA-N 0 3 393.451 0.890 20 0 GCADHN CCN(CCCO)C(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000582836172 1186707471 /nfs/dbraw/zinc/70/74/71/1186707471.db2.gz QACSLVHHMCUOQZ-IBGZPJMESA-N 0 3 390.528 0.712 20 0 GCADHN Cc1c(C(=O)Nc2ccn(C)c(=O)n2)nnn1-c1cccc2c1CCN(C)C2 ZINC000892311763 1186709060 /nfs/dbraw/zinc/70/90/60/1186709060.db2.gz GNDIFFHRWFGJJX-UHFFFAOYSA-N 0 3 379.424 0.744 20 0 GCADHN C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CCNCc1ccn(C)n1 ZINC001104431126 1186709112 /nfs/dbraw/zinc/70/91/12/1186709112.db2.gz QXARBMYZOURNPX-AHCXZYCDSA-N 0 3 391.516 0.807 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)C2)nn1 ZINC000582844624 1186710962 /nfs/dbraw/zinc/71/09/62/1186710962.db2.gz BBKVZMAENBOMEY-ZDUSSCGKSA-N 0 3 383.412 0.016 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cccc5ccccc54)C3)CCN2C1=O ZINC000582857539 1186713554 /nfs/dbraw/zinc/71/35/54/1186713554.db2.gz UJQWZNYOUJNKNG-LZLYRXPVSA-N 0 3 392.459 0.963 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCSCC3)ncn2)CC1 ZINC000277949843 1186717970 /nfs/dbraw/zinc/71/79/70/1186717970.db2.gz XQHBSKRUJVRTHN-HNNXBMFYSA-N 0 3 376.530 0.773 20 0 GCADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000582872167 1186718710 /nfs/dbraw/zinc/71/87/10/1186718710.db2.gz BTRXEQSCBPZRGV-HNNXBMFYSA-N 0 3 396.532 0.319 20 0 GCADHN CCC(CC)N1C[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1=O ZINC000152611888 1186724092 /nfs/dbraw/zinc/72/40/92/1186724092.db2.gz ULZQEZQUALLNSQ-NVXWUHKLSA-N 0 3 378.517 0.789 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000544039230 1186726028 /nfs/dbraw/zinc/72/60/28/1186726028.db2.gz KQSXJUIMAXXVKH-SFHVURJKSA-N 0 3 394.560 0.748 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N3CCc4c3cccc4C(F)(F)F)CCN2C1=O ZINC000582914741 1186728091 /nfs/dbraw/zinc/72/80/91/1186728091.db2.gz GCGPXZHYOOZVQU-GWCFXTLKSA-N 0 3 396.369 0.365 20 0 GCADHN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc1 ZINC000582916387 1186729278 /nfs/dbraw/zinc/72/92/78/1186729278.db2.gz OWEDTGLFYBUKPK-GOEBONIOSA-N 0 3 395.529 0.637 20 0 GCADHN C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000582922389 1186730594 /nfs/dbraw/zinc/73/05/94/1186730594.db2.gz VVRGRIXNCFVWJW-BZUAXINKSA-N 0 3 392.504 0.131 20 0 GCADHN CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000685054730 1186732564 /nfs/dbraw/zinc/73/25/64/1186732564.db2.gz FEBMFTVXOCTYOB-KRWDZBQOSA-N 0 3 388.512 0.998 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@@H](CO)C2)CC1 ZINC000078887471 1186733009 /nfs/dbraw/zinc/73/30/09/1186733009.db2.gz KRQOOYXJRJXZPW-LJQANCHMSA-N 0 3 376.501 0.727 20 0 GCADHN CCN1CCN(c2ccc(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)cc2)CC1 ZINC000152622272 1186739599 /nfs/dbraw/zinc/73/95/99/1186739599.db2.gz WIUIBJCKVRJPQY-GOSISDBHSA-N 0 3 394.541 0.982 20 0 GCADHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582975631 1186740347 /nfs/dbraw/zinc/74/03/47/1186740347.db2.gz JGZZERICFDFYKX-CMPLNLGQSA-N 0 3 380.832 0.366 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)on1 ZINC000582128471 1186745290 /nfs/dbraw/zinc/74/52/90/1186745290.db2.gz QQTUBFMHMJLKRA-QGZVFWFLSA-N 0 3 391.516 0.864 20 0 GCADHN Cc1cc(=O)n2nc(CN3CCN(C(=O)[C@H]4CCCN4C)CC3)sc2n1 ZINC000162290342 1186748642 /nfs/dbraw/zinc/74/86/42/1186748642.db2.gz SLWAQDIIOILBHW-CYBMUJFWSA-N 0 3 376.486 0.198 20 0 GCADHN CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000657715901 1186749827 /nfs/dbraw/zinc/74/98/27/1186749827.db2.gz OCADFVDMJOCWNE-IRXDYDNUSA-N 0 3 385.468 0.841 20 0 GCADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCc1cn2c(n1)SCC2 ZINC000583024426 1186751178 /nfs/dbraw/zinc/75/11/78/1186751178.db2.gz ANAWNZQCHGSSAY-INIZCTEOSA-N 0 3 385.493 0.732 20 0 GCADHN Cc1cc(N(C)C)ccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000122206864 1186751728 /nfs/dbraw/zinc/75/17/28/1186751728.db2.gz IJCXMMAUGURHTH-OAHLLOKOSA-N 0 3 375.517 0.999 20 0 GCADHN Cc1nc(C(=O)Nc2ccnn2CCN(C)C)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000583044447 1186754544 /nfs/dbraw/zinc/75/45/44/1186754544.db2.gz LRBRIFFKBWNUEY-UHFFFAOYSA-N 0 3 398.353 0.723 20 0 GCADHN Cn1c2ccc(S(=O)(=O)N3CC[C@H]4[C@H](CCCN4C)C3)cc2n(C)c1=O ZINC000122418927 1186755965 /nfs/dbraw/zinc/75/59/65/1186755965.db2.gz JLBOGWRBKJABPD-HIFRSBDPSA-N 0 3 378.498 0.982 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000458375930 1186764458 /nfs/dbraw/zinc/76/44/58/1186764458.db2.gz KRCYLSWCWXBKGJ-OAHLLOKOSA-N 0 3 397.545 0.735 20 0 GCADHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583095221 1186769563 /nfs/dbraw/zinc/76/95/63/1186769563.db2.gz BHAGBRGIIDQANG-KBPBESRZSA-N 0 3 383.408 0.359 20 0 GCADHN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000583095464 1186769745 /nfs/dbraw/zinc/76/97/45/1186769745.db2.gz KNEHWDKAHQBDHB-SMDDNHRTSA-N 0 3 379.848 0.818 20 0 GCADHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583095223 1186769822 /nfs/dbraw/zinc/76/98/22/1186769822.db2.gz BHAGBRGIIDQANG-UONOGXRCSA-N 0 3 383.408 0.359 20 0 GCADHN C[C@H](CNC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)CN1CCOCC1 ZINC000153874622 1186772741 /nfs/dbraw/zinc/77/27/41/1186772741.db2.gz DZRGMBQDQVNAGE-HOJAQTOUSA-N 0 3 390.528 0.889 20 0 GCADHN CO[C@@H]1C[C@H](N(C)C(=O)NCCCCN2CCN(CCO)CC2)C12CCC2 ZINC000458400323 1186779674 /nfs/dbraw/zinc/77/96/74/1186779674.db2.gz QYEQSSLWODCOQW-ZWKOTPCHSA-N 0 3 382.549 0.976 20 0 GCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000583157830 1186784079 /nfs/dbraw/zinc/78/40/79/1186784079.db2.gz CWPLHJRTXWOEKA-RBUKOAKNSA-N 0 3 398.507 0.821 20 0 GCADHN CN(CCNC(=O)NCCS(=O)(=O)N1CCOCC1)Cc1ccccc1 ZINC000052144199 1186784705 /nfs/dbraw/zinc/78/47/05/1186784705.db2.gz ZNQSIMNYXXEAPB-UHFFFAOYSA-N 0 3 384.502 0.080 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)c1 ZINC000048933726 1186785493 /nfs/dbraw/zinc/78/54/93/1186785493.db2.gz YCLUWSJTLJVYNU-UHFFFAOYSA-N 0 3 396.494 0.712 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583171263 1186787771 /nfs/dbraw/zinc/78/77/71/1186787771.db2.gz IIXKTLLRXNQPGF-GJZGRUSLSA-N 0 3 379.505 0.286 20 0 GCADHN COC(=O)c1ccnc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000278116015 1186788895 /nfs/dbraw/zinc/78/88/95/1186788895.db2.gz SFWFKGRRHBMGOT-CQSZACIVSA-N 0 3 375.429 0.639 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000162657713 1186793445 /nfs/dbraw/zinc/79/34/45/1186793445.db2.gz DLVBJSVLKWQWIG-SFHVURJKSA-N 0 3 394.541 0.675 20 0 GCADHN CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728551681 1186793500 /nfs/dbraw/zinc/79/35/00/1186793500.db2.gz OGHIFWCYUVCERB-CYVLTUHYSA-N 0 3 384.480 0.930 20 0 GCADHN O=C(CNC(=O)OCc1ccccc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728551556 1186793719 /nfs/dbraw/zinc/79/37/19/1186793719.db2.gz IYSYEOPPMAEIDE-UHFFFAOYSA-N 0 3 388.468 0.679 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)Nc3cccc(CN4CCCCC4=O)c3)CCN2C1=O ZINC000583215843 1186797487 /nfs/dbraw/zinc/79/74/87/1186797487.db2.gz ZXDRUQZYPXABIA-IRXDYDNUSA-N 0 3 385.468 0.975 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000511234676 1186798060 /nfs/dbraw/zinc/79/80/60/1186798060.db2.gz OWALJKMTMCCCHI-SJORKVTESA-N 0 3 395.548 0.505 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Oc4ccncc4)cc3)CCN2C1=O ZINC000583214704 1186798986 /nfs/dbraw/zinc/79/89/86/1186798986.db2.gz JEDTYIFKVHCZIJ-WMLDXEAASA-N 0 3 395.419 0.583 20 0 GCADHN Cc1ccc(CNC(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1F ZINC000162818455 1186815634 /nfs/dbraw/zinc/81/56/34/1186815634.db2.gz AXRXGKXSNIZRLX-GOSISDBHSA-N 0 3 376.476 0.989 20 0 GCADHN C[C@@H]1COCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001708259833 1186822623 /nfs/dbraw/zinc/82/26/23/1186822623.db2.gz HNLKWNGEHPYYOW-HUUCEWRRSA-N 0 3 399.561 0.993 20 0 GCADHN CCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@]1(C)COCCO1 ZINC001709091766 1186822676 /nfs/dbraw/zinc/82/26/76/1186822676.db2.gz DRUUUCCGRIWIRZ-FXAWDEMLSA-N 0 3 392.548 0.862 20 0 GCADHN C([C@@H]1CCOC1)n1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000583335404 1186829655 /nfs/dbraw/zinc/82/96/55/1186829655.db2.gz OGBDXSUXVAMNRH-SQNIBIBYSA-N 0 3 391.516 0.977 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2ncccc2S(=O)(=O)NC(C)C)CC1 ZINC000278209435 1186831215 /nfs/dbraw/zinc/83/12/15/1186831215.db2.gz RFKASLGOQSMMQH-UHFFFAOYSA-N 0 3 397.545 0.759 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000685122556 1186831515 /nfs/dbraw/zinc/83/15/15/1186831515.db2.gz FJSFLCGFUFPYSU-HUUCEWRRSA-N 0 3 387.484 0.460 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)N(C)C)c(C)c2)CC1 ZINC000048974859 1186835186 /nfs/dbraw/zinc/83/51/86/1186835186.db2.gz YXTZJEVFQHJRJC-UHFFFAOYSA-N 0 3 375.473 0.280 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)no1 ZINC000583367431 1186837314 /nfs/dbraw/zinc/83/73/14/1186837314.db2.gz FWDVUMZZNCFTCT-QGZVFWFLSA-N 0 3 375.473 0.324 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1 ZINC000156003320 1186837435 /nfs/dbraw/zinc/83/74/35/1186837435.db2.gz UZSPDAOPEMTIFD-CQSZACIVSA-N 0 3 382.530 0.707 20 0 GCADHN COc1ccc(Nc2cc(N3CCN4C(=O)[C@H](N)C[C@H]4C3)ncn2)c(OC)c1 ZINC000583451972 1186857361 /nfs/dbraw/zinc/85/73/61/1186857361.db2.gz OOVHZVIYSUXCEC-GXTWGEPZSA-N 0 3 384.440 0.986 20 0 GCADHN CC(C)CCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000583452315 1186857567 /nfs/dbraw/zinc/85/75/67/1186857567.db2.gz BODDVMNKRQZZCS-RDJZCZTQSA-N 0 3 388.468 0.820 20 0 GCADHN COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000278262732 1186859315 /nfs/dbraw/zinc/85/93/15/1186859315.db2.gz WSLZWDURJMLFEY-AEFFLSMTSA-N 0 3 393.484 0.559 20 0 GCADHN COCC[C@@H](Cc1ccco1)NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000611769989 1186862715 /nfs/dbraw/zinc/86/27/15/1186862715.db2.gz BBNBLUYAWAIVDC-IRXDYDNUSA-N 0 3 393.484 0.713 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(F)c2F)CC1 ZINC000127550971 1186867752 /nfs/dbraw/zinc/86/77/52/1186867752.db2.gz XJDWIJNZDGTIEX-AWEZNQCLSA-N 0 3 380.395 0.668 20 0 GCADHN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000329200191 1186874656 /nfs/dbraw/zinc/87/46/56/1186874656.db2.gz XEZGNBUJKRUENY-OAHLLOKOSA-N 0 3 396.557 0.701 20 0 GCADHN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(CC2CC2)CC1 ZINC000329220796 1186879158 /nfs/dbraw/zinc/87/91/58/1186879158.db2.gz BOOALPXZMLHTLX-GOSISDBHSA-N 0 3 378.517 0.254 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000545156673 1186884725 /nfs/dbraw/zinc/88/47/25/1186884725.db2.gz YPXQCWOYRCZFKY-SFHVURJKSA-N 0 3 383.514 0.822 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000278325853 1186891215 /nfs/dbraw/zinc/89/12/15/1186891215.db2.gz FIJPUBDOZBXIDE-OAHLLOKOSA-N 0 3 385.468 0.896 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685166297 1186897012 /nfs/dbraw/zinc/89/70/12/1186897012.db2.gz LEDJDGDWEIPDNW-LZWOXQAQSA-N 0 3 390.488 0.021 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000278352426 1186904491 /nfs/dbraw/zinc/90/44/91/1186904491.db2.gz QNBSCIKYNUNXCD-GDBMZVCRSA-N 0 3 388.486 0.059 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000278370036 1186916345 /nfs/dbraw/zinc/91/63/45/1186916345.db2.gz SKBTYLIDWFGILN-ILZDJORESA-N 0 3 396.484 0.731 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cnccc3-c3cccc(F)c3)CCN2C1=O ZINC000583704304 1186921890 /nfs/dbraw/zinc/92/18/90/1186921890.db2.gz CAQATGWRLDSMOZ-GDBMZVCRSA-N 0 3 397.410 0.597 20 0 GCADHN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583704700 1186923636 /nfs/dbraw/zinc/92/36/36/1186923636.db2.gz NXLKARVNHCWGPL-OPQQBVKSSA-N 0 3 399.278 0.882 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)CCN2C1=O ZINC000583704741 1186923793 /nfs/dbraw/zinc/92/37/93/1186923793.db2.gz PHSJXQZCACWEGF-MOPGFXCFSA-N 0 3 398.507 0.628 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(CNC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000458661656 1186931697 /nfs/dbraw/zinc/93/16/97/1186931697.db2.gz UHGCXYZORDRSRP-INIZCTEOSA-N 0 3 398.529 0.583 20 0 GCADHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000583760503 1186933830 /nfs/dbraw/zinc/93/38/30/1186933830.db2.gz LCHAJSRAVSWOAO-HNNXBMFYSA-N 0 3 396.513 0.782 20 0 GCADHN C[C@H](OCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1 ZINC000583764260 1186934427 /nfs/dbraw/zinc/93/44/27/1186934427.db2.gz CSPFEAUKLFPDSB-UAGQMJEPSA-N 0 3 388.468 0.041 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)Nc2ccn(C)n2)cc1)[C@H]1CCCN(C)C1 ZINC000583765654 1186935030 /nfs/dbraw/zinc/93/50/30/1186935030.db2.gz BBESNKXJJQHOJT-INIZCTEOSA-N 0 3 398.467 1.164 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCN2C1=O ZINC000583764940 1186935142 /nfs/dbraw/zinc/93/51/42/1186935142.db2.gz ZSUOBQKLGCQJED-BYNSBNAKSA-N 0 3 376.844 0.083 20 0 GCADHN CC(C)N(CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)N1CCOCC1 ZINC001267295704 1186936206 /nfs/dbraw/zinc/93/62/06/1186936206.db2.gz YCKUEZNOAOBUAW-BCDMZGRMSA-N 0 3 379.501 0.485 20 0 GCADHN COc1ccc(OC)c([C@@H](O)CN2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000728577365 1186937299 /nfs/dbraw/zinc/93/72/99/1186937299.db2.gz ZMVFGUUIUFBOFL-SFHVURJKSA-N 0 3 377.485 0.977 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCCN(CC(F)(F)F)CC1)C1=CCN(C)CC1 ZINC000583780079 1186938432 /nfs/dbraw/zinc/93/84/32/1186938432.db2.gz ZAWLHKQUAIELNQ-ZDUSSCGKSA-N 0 3 376.423 0.850 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000583797114 1186940745 /nfs/dbraw/zinc/94/07/45/1186940745.db2.gz GPDLNHBLLDDGOL-RBUKOAKNSA-N 0 3 376.501 0.319 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000583797112 1186940977 /nfs/dbraw/zinc/94/09/77/1186940977.db2.gz GPDLNHBLLDDGOL-MOPGFXCFSA-N 0 3 376.501 0.319 20 0 GCADHN CO[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000583818595 1186945300 /nfs/dbraw/zinc/94/53/00/1186945300.db2.gz LXKHHIBHAQEYGR-VXGBXAGGSA-N 0 3 378.429 0.634 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)CCCN3C(=O)c4ccccc4C3=O)C[C@@H]2C1 ZINC000278441939 1186945520 /nfs/dbraw/zinc/94/55/20/1186945520.db2.gz USCWCZMDHHHRSB-OKILXGFUSA-N 0 3 377.466 0.496 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)CCN2C1=O ZINC000583824002 1186945877 /nfs/dbraw/zinc/94/58/77/1186945877.db2.gz PMPLAZZKZDJGPK-SOUVJXGZSA-N 0 3 376.844 0.463 20 0 GCADHN CC[C@@H]1CN(C)CCN1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000583856819 1186952780 /nfs/dbraw/zinc/95/27/80/1186952780.db2.gz YVRFVTLESCQBGE-QGZVFWFLSA-N 0 3 375.521 0.724 20 0 GCADHN CS(=O)(=O)c1ccc(F)c(CNC(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000458718241 1186959622 /nfs/dbraw/zinc/95/96/22/1186959622.db2.gz CGQKOZSKBHYRSG-CQSZACIVSA-N 0 3 387.477 0.875 20 0 GCADHN CS(=O)(=O)c1ccc(F)c(CNC(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000458718239 1186959952 /nfs/dbraw/zinc/95/99/52/1186959952.db2.gz CGQKOZSKBHYRSG-AWEZNQCLSA-N 0 3 387.477 0.875 20 0 GCADHN COc1ccc2c(c1)C[C@H](C(=O)NCCCCN1CCN(CCO)CC1)CO2 ZINC000536178256 1186973240 /nfs/dbraw/zinc/97/32/40/1186973240.db2.gz AIQUHVUPTIBRDN-SFHVURJKSA-N 0 3 391.512 0.753 20 0 GCADHN CCC1(O)CCC(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000685248537 1186975415 /nfs/dbraw/zinc/97/54/15/1186975415.db2.gz LKBWEUXYLYIAEO-LFDOHDQPSA-N 0 3 396.532 0.245 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CNC(=O)COc1ccccc1 ZINC000278553260 1186975425 /nfs/dbraw/zinc/97/54/25/1186975425.db2.gz VJLXYDHMIXAAIO-MRXNPFEDSA-N 0 3 375.469 0.893 20 0 GCADHN O=C(NCCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458768078 1186981916 /nfs/dbraw/zinc/98/19/16/1186981916.db2.gz MDUOJXDUCUFFIR-OAHLLOKOSA-N 0 3 388.468 0.819 20 0 GCADHN O=C(NCCCN1C(=O)c2ccccc2C1=O)N[C@H]1CCCN(CCCO)C1 ZINC000458768077 1186982022 /nfs/dbraw/zinc/98/20/22/1186982022.db2.gz MDUOJXDUCUFFIR-HNNXBMFYSA-N 0 3 388.468 0.819 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000584015772 1186982110 /nfs/dbraw/zinc/98/21/10/1186982110.db2.gz WPULFNMNCRICHD-KRWDZBQOSA-N 0 3 387.484 0.243 20 0 GCADHN Cc1nnc(SCC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[n-]1 ZINC000431541593 1186993842 /nfs/dbraw/zinc/99/38/42/1186993842.db2.gz APGOGMNXDYXWCG-UHFFFAOYSA-N 0 3 382.534 0.948 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)CC1 ZINC000151670410 1187009641 /nfs/dbraw/zinc/00/96/41/1187009641.db2.gz FWFUSMDEUIZNQM-IRXDYDNUSA-N 0 3 388.578 0.436 20 0 GCADHN C[C@@H](O)CN1CCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CC1 ZINC000635518955 1187011895 /nfs/dbraw/zinc/01/18/95/1187011895.db2.gz ZPUZWIHNATWSRL-CQSZACIVSA-N 0 3 375.473 0.442 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCN(c4ccccc4F)C3)CCN2C1=O ZINC000584184376 1187012166 /nfs/dbraw/zinc/01/21/66/1187012166.db2.gz ZYBVTWIICXNOFU-SQWLQELKSA-N 0 3 375.448 0.605 20 0 GCADHN CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000584302736 1187028810 /nfs/dbraw/zinc/02/88/10/1187028810.db2.gz MKONDJBEKYEJFI-IRXDYDNUSA-N 0 3 387.484 0.351 20 0 GCADHN CN(CCCCCO)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000278739099 1187041670 /nfs/dbraw/zinc/04/16/70/1187041670.db2.gz AALWVYYYISYTSF-UHFFFAOYSA-N 0 3 375.477 0.106 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000584377644 1187043931 /nfs/dbraw/zinc/04/39/31/1187043931.db2.gz YRCBNEJLPKEXGI-RCCFBDPRSA-N 0 3 392.544 0.546 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000611838175 1187046121 /nfs/dbraw/zinc/04/61/21/1187046121.db2.gz HBZQJSCIHJZPKF-JKSUJKDBSA-N 0 3 378.517 0.694 20 0 GCADHN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584422103 1187056987 /nfs/dbraw/zinc/05/69/87/1187056987.db2.gz MDCKTEFBVOPLNO-MSOLQXFVSA-N 0 3 396.495 0.980 20 0 GCADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000584422194 1187057018 /nfs/dbraw/zinc/05/70/18/1187057018.db2.gz PNCYRJFLUPMQCE-OLMNPRSZSA-N 0 3 389.475 0.107 20 0 GCADHN CC(C)n1ccc(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000584427350 1187059147 /nfs/dbraw/zinc/05/91/47/1187059147.db2.gz RLBHGDJEQGGHCP-INIZCTEOSA-N 0 3 392.504 0.139 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)[C@@H]3C2)C1 ZINC000972637810 1187068849 /nfs/dbraw/zinc/06/88/49/1187068849.db2.gz BPUFBZAFKZWJTA-KLHDSHLOSA-N 0 3 376.501 0.445 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000248791567 1187075442 /nfs/dbraw/zinc/07/54/42/1187075442.db2.gz IUJGYLKZYXBVML-HYVNUMGLSA-N 0 3 380.514 0.840 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)c(NC(C)=O)c2)CC1 ZINC000145724188 1187084034 /nfs/dbraw/zinc/08/40/34/1187084034.db2.gz CFTAARLRGGBYTM-UHFFFAOYSA-N 0 3 395.891 0.991 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000685338994 1187102572 /nfs/dbraw/zinc/10/25/72/1187102572.db2.gz BPMPKPVKEDTQHZ-WDSOQIARSA-N 0 3 388.512 0.555 20 0 GCADHN C[C@@H](NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C1=CCN(C)CC1 ZINC000511271834 1187105967 /nfs/dbraw/zinc/10/59/67/1187105967.db2.gz XGQXKWXIPQEWFP-ZBFHGGJFSA-N 0 3 388.534 0.425 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CN(C)CCO1 ZINC000685342487 1187108126 /nfs/dbraw/zinc/10/81/26/1187108126.db2.gz YWNCWSRDCGSIAW-ZBFHGGJFSA-N 0 3 382.530 0.474 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC1)CCC2 ZINC000685445806 1187130166 /nfs/dbraw/zinc/13/01/66/1187130166.db2.gz CLQFCLRKOAKKMI-MRXNPFEDSA-N 0 3 377.489 0.576 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001719805659 1187130937 /nfs/dbraw/zinc/13/09/37/1187130937.db2.gz SJEFZPKXLRNKMY-OWSLCNJRSA-N 0 3 378.517 0.976 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccnn1C ZINC000685480450 1187133394 /nfs/dbraw/zinc/13/33/94/1187133394.db2.gz PLOWPWCRDGAMNL-SJORKVTESA-N 0 3 393.532 0.845 20 0 GCADHN COCCN1CCC(NC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000140252695 1187133797 /nfs/dbraw/zinc/13/37/97/1187133797.db2.gz QYKZUWJAGOCRID-ZDUSSCGKSA-N 0 3 384.502 0.805 20 0 GCADHN COCCN1CCC(NC(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000140323610 1187135842 /nfs/dbraw/zinc/13/58/42/1187135842.db2.gz DKCDNMLIHOMRKB-UHFFFAOYSA-N 0 3 377.489 0.828 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000685520417 1187143662 /nfs/dbraw/zinc/14/36/62/1187143662.db2.gz VLYYSVMEFHLMPW-ZWKOTPCHSA-N 0 3 394.560 0.794 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000685521002 1187144540 /nfs/dbraw/zinc/14/45/40/1187144540.db2.gz QFRRIATYBQHXAP-OAHLLOKOSA-N 0 3 395.548 0.875 20 0 GCADHN Cn1ccnc1[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCO1 ZINC000611937281 1187145007 /nfs/dbraw/zinc/14/50/07/1187145007.db2.gz FLGQATRAKAEPFB-ZNMIVQPWSA-N 0 3 377.489 0.745 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000611940295 1187146856 /nfs/dbraw/zinc/14/68/56/1187146856.db2.gz UYEAUMBMEFDNBQ-BBWFWOEESA-N 0 3 391.516 0.993 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000611940296 1187146993 /nfs/dbraw/zinc/14/69/93/1187146993.db2.gz UYEAUMBMEFDNBQ-GVDBMIGSSA-N 0 3 391.516 0.993 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000548844802 1187157502 /nfs/dbraw/zinc/15/75/02/1187157502.db2.gz MKVXEVTTXZZFIQ-UHFFFAOYSA-N 0 3 382.530 0.659 20 0 GCADHN O=C(NCc1nc(C[NH2+]C[C@H]2CCOC2)cc(=O)[n-]1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001087258327 1187160027 /nfs/dbraw/zinc/16/00/27/1187160027.db2.gz FVBFEFDRFRXBBB-VAGZCVSGSA-N 0 3 376.457 0.740 20 0 GCADHN O=C(CNS(=O)(=O)c1cccnc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000685602586 1187177640 /nfs/dbraw/zinc/17/76/40/1187177640.db2.gz DVOHFLGMAONHKO-OAHLLOKOSA-N 0 3 382.486 0.073 20 0 GCADHN CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1O ZINC001023951001 1187188054 /nfs/dbraw/zinc/18/80/54/1187188054.db2.gz DWEPBMCVVYPCRW-HZMVEIRTSA-N 0 3 381.517 0.610 20 0 GCADHN Cc1cnc(S(C)(=O)=O)nc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000612057853 1187244667 /nfs/dbraw/zinc/24/46/67/1187244667.db2.gz SHQCVJBDHWZQFV-OKILXGFUSA-N 0 3 384.502 0.808 20 0 GCADHN C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)[C@@H]1CN(C)CCO1 ZINC000635710954 1187248703 /nfs/dbraw/zinc/24/87/03/1187248703.db2.gz AIPHQLDLZIUGHU-DYVFJYSZSA-N 0 3 375.473 0.752 20 0 GCADHN CN(C)Cc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2O)c1 ZINC001024128541 1187258656 /nfs/dbraw/zinc/25/86/56/1187258656.db2.gz UHHPZXUENCAKFQ-IRIQXGSBSA-N 0 3 399.491 0.473 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000472359895 1187260977 /nfs/dbraw/zinc/26/09/77/1187260977.db2.gz IDMWOUOTEJRVIM-UONOGXRCSA-N 0 3 376.423 0.636 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1S(N)(=O)=O ZINC000658262938 1187262466 /nfs/dbraw/zinc/26/24/66/1187262466.db2.gz XCEOOHAWMMXVPR-CYBMUJFWSA-N 0 3 382.486 0.570 20 0 GCADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3CCN(C(C)(C)C)C3)cc2)c1=O ZINC000658265380 1187262583 /nfs/dbraw/zinc/26/25/83/1187262583.db2.gz YTEGFMGTCLWJSP-CQSZACIVSA-N 0 3 386.456 0.499 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1 ZINC000658264287 1187262616 /nfs/dbraw/zinc/26/26/16/1187262616.db2.gz PSUDJCJKRBUNHK-AWEZNQCLSA-N 0 3 379.482 0.944 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccccc3CN(C)C)C2)O1 ZINC001024135596 1187263537 /nfs/dbraw/zinc/26/35/37/1187263537.db2.gz SGBDUPIINDQNNE-BNEJOLLZSA-N 0 3 375.469 0.617 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)C[S@@](C)=O)cc2)CC1 ZINC000785206712 1187266339 /nfs/dbraw/zinc/26/63/39/1187266339.db2.gz SIPARNFKNNQMDI-KUNJGFBQSA-N 0 3 394.541 0.992 20 0 GCADHN CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635723012 1187275060 /nfs/dbraw/zinc/27/50/60/1187275060.db2.gz YJHVXRIUHSGNIF-RGDJUOJXSA-N 0 3 398.447 0.920 20 0 GCADHN CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635723007 1187275306 /nfs/dbraw/zinc/27/53/06/1187275306.db2.gz YJHVXRIUHSGNIF-ITGHMWBKSA-N 0 3 398.447 0.920 20 0 GCADHN Cn1cc([C@@H](CNC(=O)[C@@H]2CCCCN2C)NC(=O)[C@@H]2CCCCN2C)cn1 ZINC000635725232 1187318548 /nfs/dbraw/zinc/31/85/48/1187318548.db2.gz KYWDQIDQIMACDV-SQNIBIBYSA-N 0 3 390.532 0.662 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000658528464 1187326232 /nfs/dbraw/zinc/32/62/32/1187326232.db2.gz KBZIOVQYZQGSCC-KRWDZBQOSA-N 0 3 381.448 0.590 20 0 GCADHN CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000148602144 1187328015 /nfs/dbraw/zinc/32/80/15/1187328015.db2.gz FHLMUYXIQGPIRK-UHFFFAOYSA-N 0 3 396.875 0.865 20 0 GCADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000148604326 1187328109 /nfs/dbraw/zinc/32/81/09/1187328109.db2.gz DQNHRYIQMYQLIH-UHFFFAOYSA-N 0 3 390.484 0.910 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)CC2=CCSC2)CC1 ZINC000658537999 1187331413 /nfs/dbraw/zinc/33/14/13/1187331413.db2.gz ZYHOABXCBBXFHS-UHFFFAOYSA-N 0 3 382.530 0.131 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]2COCCO2)c1 ZINC000658540176 1187332853 /nfs/dbraw/zinc/33/28/53/1187332853.db2.gz QOSTUOFIQBDSNU-SFHVURJKSA-N 0 3 377.485 0.759 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1cccc2c1OC(F)(F)O2 ZINC000658542105 1187334377 /nfs/dbraw/zinc/33/43/77/1187334377.db2.gz QGHFJZHUXLUYKP-UHFFFAOYSA-N 0 3 387.383 0.661 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000658544752 1187337790 /nfs/dbraw/zinc/33/77/90/1187337790.db2.gz NETWFZOJIHSTGB-HUUCEWRRSA-N 0 3 388.468 0.822 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000685717238 1187348100 /nfs/dbraw/zinc/34/81/00/1187348100.db2.gz XUQGDYFUMJTXIU-FGTMMUONSA-N 0 3 391.516 0.541 20 0 GCADHN CO[C@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C1CCCCC1 ZINC000658569704 1187350530 /nfs/dbraw/zinc/35/05/30/1187350530.db2.gz CNLZIXAILUFYFP-GOSISDBHSA-N 0 3 382.549 0.794 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000658606739 1187380030 /nfs/dbraw/zinc/38/00/30/1187380030.db2.gz SLXIPPZYSZQULH-UHFFFAOYSA-N 0 3 379.442 0.042 20 0 GCADHN CN(C[C@H]1COCCO1)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000658634975 1187394458 /nfs/dbraw/zinc/39/44/58/1187394458.db2.gz KIXGLIPBBJZLNU-MSOLQXFVSA-N 0 3 375.469 0.593 20 0 GCADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612221000 1187408029 /nfs/dbraw/zinc/40/80/29/1187408029.db2.gz NEGOHERGZLMGOQ-GOSISDBHSA-N 0 3 390.484 0.284 20 0 GCADHN O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N(CCO)CC(F)F ZINC000612220834 1187408801 /nfs/dbraw/zinc/40/88/01/1187408801.db2.gz LFWNMXCMRHJICP-UHFFFAOYSA-N 0 3 384.427 0.496 20 0 GCADHN CO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CCCC1 ZINC000658677701 1187409174 /nfs/dbraw/zinc/40/91/74/1187409174.db2.gz SSOFMOSKPCXRBM-IRXDYDNUSA-N 0 3 394.516 0.073 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC(C3CCC3)CC2)CC1 ZINC000658678489 1187409209 /nfs/dbraw/zinc/40/92/09/1187409209.db2.gz XVVMLTIZTKWPNQ-SFHVURJKSA-N 0 3 390.528 0.790 20 0 GCADHN CNC(=O)CCN(C)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612226927 1187413686 /nfs/dbraw/zinc/41/36/86/1187413686.db2.gz QEZHCFMTJNUTPA-UHFFFAOYSA-N 0 3 375.473 0.004 20 0 GCADHN O=C(CNS(=O)(=O)c1ccccc1)N1CCN(CC2CCOCC2)CC1 ZINC000685747706 1187416353 /nfs/dbraw/zinc/41/63/53/1187416353.db2.gz JNPCTNHVMWYHJL-UHFFFAOYSA-N 0 3 381.498 0.536 20 0 GCADHN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C[C@@H](O)COC1CCOCC1 ZINC000375803679 1187425362 /nfs/dbraw/zinc/42/53/62/1187425362.db2.gz DWWPFYMYBOXKNL-BRWVUGGUSA-N 0 3 386.489 0.913 20 0 GCADHN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C[C@H](O)COC1CCOCC1 ZINC000375803680 1187425400 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383.537 0.294 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)C1 ZINC000658777153 1187457455 /nfs/dbraw/zinc/45/74/55/1187457455.db2.gz AAPMAUISSMFVFE-INIZCTEOSA-N 0 3 375.473 0.726 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1 ZINC000658777116 1187457460 /nfs/dbraw/zinc/45/74/60/1187457460.db2.gz DHPPOOBLRBKCPP-MRXNPFEDSA-N 0 3 381.498 0.813 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1 ZINC000658778280 1187458390 /nfs/dbraw/zinc/45/83/90/1187458390.db2.gz YJYJAUVXOXLETL-OAHLLOKOSA-N 0 3 396.513 0.784 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)C1 ZINC000658779523 1187459541 /nfs/dbraw/zinc/45/95/41/1187459541.db2.gz QNRTYJBZWDUYTE-CQSZACIVSA-N 0 3 376.457 0.936 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000658779715 1187459564 /nfs/dbraw/zinc/45/95/64/1187459564.db2.gz SRBMIAUPCULGGV-MRXNPFEDSA-N 0 3 386.452 0.875 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)C1 ZINC000658779142 1187459988 /nfs/dbraw/zinc/45/99/88/1187459988.db2.gz OMNQRLLYFOIPKJ-OAHLLOKOSA-N 0 3 397.497 0.646 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1 ZINC000658779562 1187460147 /nfs/dbraw/zinc/46/01/47/1187460147.db2.gz ROMKONCZULSRSL-ZDUSSCGKSA-N 0 3 382.486 0.490 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)C1 ZINC000658779074 1187460185 /nfs/dbraw/zinc/46/01/85/1187460185.db2.gz NQHFQPSKDDOBIG-CYBMUJFWSA-N 0 3 375.408 0.649 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 ZINC000658779183 1187460356 /nfs/dbraw/zinc/46/03/56/1187460356.db2.gz SKLXEBLNLRYHOH-ZBFHGGJFSA-N 0 3 386.452 0.431 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000612331960 1187463997 /nfs/dbraw/zinc/46/39/97/1187463997.db2.gz QHNQPMPDFRPUHX-IBGZPJMESA-N 0 3 399.605 0.520 20 0 GCADHN CCOC(=O)[C@@](C)(O)CN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375898501 1187476976 /nfs/dbraw/zinc/47/69/76/1187476976.db2.gz 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C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000612485514 1187505528 /nfs/dbraw/zinc/50/55/28/1187505528.db2.gz MBAHAJCXNFGDLZ-QGZVFWFLSA-N 0 3 390.532 0.301 20 0 GCADHN CC(C)OCCN1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000612485734 1187506047 /nfs/dbraw/zinc/50/60/47/1187506047.db2.gz LBTMPTZZLIHPGN-SFHVURJKSA-N 0 3 382.549 0.792 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000612488179 1187506695 /nfs/dbraw/zinc/50/66/95/1187506695.db2.gz YBASFWUKKDRKSJ-INIZCTEOSA-N 0 3 390.484 0.801 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000152833078 1187511822 /nfs/dbraw/zinc/51/18/22/1187511822.db2.gz JHKKSCBZPLKIFY-MRXNPFEDSA-N 0 3 388.512 0.998 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)CC1 ZINC000612522051 1187513717 /nfs/dbraw/zinc/51/37/17/1187513717.db2.gz FUZMKIZMFJRPPQ-WCXIOVBPSA-N 0 3 376.501 0.446 20 0 GCADHN Cn1cc(-c2ncccc2C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000612522939 1187513881 /nfs/dbraw/zinc/51/38/81/1187513881.db2.gz LMPIKQQGOJHCCS-KRWDZBQOSA-N 0 3 382.468 0.861 20 0 GCADHN O=C(Nc1cccc2c1OCCC2=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000658801988 1187515230 /nfs/dbraw/zinc/51/52/30/1187515230.db2.gz GQMIRIQPILSKDN-CQSZACIVSA-N 0 3 387.436 0.960 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N[C@H](CO)CN2CCCCC2)[C@H]1c1ccccc1 ZINC000413797273 1187516113 /nfs/dbraw/zinc/51/61/13/1187516113.db2.gz IJICVXIEZIRUIX-SXLOBPIMSA-N 0 3 389.496 0.938 20 0 GCADHN COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H](CO)CN2CCCCC2)c1 ZINC000413799903 1187517151 /nfs/dbraw/zinc/51/71/51/1187517151.db2.gz ANYTYINQKRDZCQ-OAHLLOKOSA-N 0 3 379.457 0.397 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000612544002 1187517977 /nfs/dbraw/zinc/51/79/77/1187517977.db2.gz UZTQBVVDMKTITM-ZFWWWQNUSA-N 0 3 396.513 0.454 20 0 GCADHN O=C(C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000658803477 1187519221 /nfs/dbraw/zinc/51/92/21/1187519221.db2.gz 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ZINC000612596531 1187535863 /nfs/dbraw/zinc/53/58/63/1187535863.db2.gz VXAMKDCKZRHGJP-MDYRTPRTSA-N 0 3 395.500 0.152 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCOc2cccc(F)c2C1 ZINC000612595224 1187535871 /nfs/dbraw/zinc/53/58/71/1187535871.db2.gz KCIMIFITZQSMJR-OAHLLOKOSA-N 0 3 391.443 0.916 20 0 GCADHN CC1(C)CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@]2(CCOC2)O1 ZINC000612595811 1187536153 /nfs/dbraw/zinc/53/61/53/1187536153.db2.gz PTHIUBDXCYQHAH-JXFKEZNVSA-N 0 3 395.500 0.152 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@@H]1n1ccnc1 ZINC000612596670 1187536182 /nfs/dbraw/zinc/53/61/82/1187536182.db2.gz RSUUCALZPVIGHF-NJAFHUGGSA-N 0 3 389.500 0.662 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000612599166 1187538734 /nfs/dbraw/zinc/53/87/34/1187538734.db2.gz QEEVDJVNLCXWPB-JKSUJKDBSA-N 0 3 375.473 0.833 20 0 GCADHN C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612599392 1187538798 /nfs/dbraw/zinc/53/87/98/1187538798.db2.gz VICUPOMJDTVHPV-APWZRJJASA-N 0 3 389.496 0.766 20 0 GCADHN C[C@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000612598847 1187538825 /nfs/dbraw/zinc/53/88/25/1187538825.db2.gz KEYFNZNTLPIYOO-VYDXJSESSA-N 0 3 394.516 0.262 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612613205 1187540800 /nfs/dbraw/zinc/54/08/00/1187540800.db2.gz NAMLJTZIYUPHLK-HOTGVXAUSA-N 0 3 396.532 0.319 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612613206 1187540863 /nfs/dbraw/zinc/54/08/63/1187540863.db2.gz NAMLJTZIYUPHLK-HZPDHXFCSA-N 0 3 396.532 0.319 20 0 GCADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000612624467 1187543874 /nfs/dbraw/zinc/54/38/74/1187543874.db2.gz ULCPMBCGRAZGRR-OAHLLOKOSA-N 0 3 384.502 0.198 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)CC1=O ZINC000376038408 1187557272 /nfs/dbraw/zinc/55/72/72/1187557272.db2.gz JDQASSPWYXYEKP-HUUCEWRRSA-N 0 3 387.440 0.296 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCNC(=O)C[C@H]3C)cc2)CC1 ZINC000782636527 1187567539 /nfs/dbraw/zinc/56/75/39/1187567539.db2.gz VTHHUVMQISKRMX-OAHLLOKOSA-N 0 3 387.484 0.504 20 0 GCADHN O=C(NC[C@H]1CCCCN1CCCN1C(=O)CNC1=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001024668955 1187568763 /nfs/dbraw/zinc/56/87/63/1187568763.db2.gz ZOZZMPHMHPHSDG-FPCVCCKLSA-N 0 3 378.473 0.467 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC(C)C)C1 ZINC000413894913 1187568991 /nfs/dbraw/zinc/56/89/91/1187568991.db2.gz PUDSCOHLRHZHNW-HOCLYGCPSA-N 0 3 393.488 0.046 20 0 GCADHN COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000511369536 1187569345 /nfs/dbraw/zinc/56/93/45/1187569345.db2.gz MYQOJHUIUVZUMJ-NSHDSACASA-N 0 3 383.470 0.731 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000413907989 1187577832 /nfs/dbraw/zinc/57/78/32/1187577832.db2.gz UFDXQDUDLFZARZ-QGZVFWFLSA-N 0 3 389.500 0.157 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000376077563 1187588898 /nfs/dbraw/zinc/58/88/98/1187588898.db2.gz BHGGSOQXGXCMRJ-INIZCTEOSA-N 0 3 395.548 0.434 20 0 GCADHN Cn1cc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CC2CC2)cn1 ZINC000612851066 1187603628 /nfs/dbraw/zinc/60/36/28/1187603628.db2.gz DSBPQOIXPONOBU-KRWDZBQOSA-N 0 3 398.515 0.831 20 0 GCADHN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1S(C)(=O)=O ZINC000413976911 1187620776 /nfs/dbraw/zinc/62/07/76/1187620776.db2.gz OBSBZLHXQSUHBA-GFCCVEGCSA-N 0 3 383.470 0.447 20 0 GCADHN Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CC[C@@H](C2CCN(C)CC2)C1 ZINC000612998638 1187632600 /nfs/dbraw/zinc/63/26/00/1187632600.db2.gz AMUCPNXBZNSUJM-CYBMUJFWSA-N 0 3 382.486 0.046 20 0 GCADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000613088856 1187662171 /nfs/dbraw/zinc/66/21/71/1187662171.db2.gz SVJQFYLOLSGDSE-PVAVHDDUSA-N 0 3 383.514 0.313 20 0 GCADHN NCc1cn(-c2cccc(CNC(=O)N3CCN(CC(F)F)CC3)c2)nn1 ZINC000892525780 1187672586 /nfs/dbraw/zinc/67/25/86/1187672586.db2.gz OYZKOPYKFXAARL-UHFFFAOYSA-N 0 3 379.415 0.818 20 0 GCADHN COc1ccc([C@H](CN2CCCC2)NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 ZINC000613173101 1187687226 /nfs/dbraw/zinc/68/72/26/1187687226.db2.gz JZWUTEHPGHRBGO-WJFTUGDTSA-N 0 3 376.453 0.361 20 0 GCADHN O=C(CCN1CCN(C[C@@H]2CCCO2)CC1)N1CCN(c2ncccn2)CC1 ZINC000613334874 1187722419 /nfs/dbraw/zinc/72/24/19/1187722419.db2.gz PSZMWIFEDCXEOL-SFHVURJKSA-N 0 3 388.516 0.312 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000376251915 1187723048 /nfs/dbraw/zinc/72/30/48/1187723048.db2.gz DFKBKMYRALEGDO-QZTJIDSGSA-N 0 3 379.549 0.914 20 0 GCADHN Cn1cc(S(=O)(=O)NCCN2CCN(CCc3ccccc3)CC2)cn1 ZINC000173469116 1187725578 /nfs/dbraw/zinc/72/55/78/1187725578.db2.gz KSGIBVXPUVPXHP-UHFFFAOYSA-N 0 3 377.514 0.559 20 0 GCADHN C[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000472536625 1187727285 /nfs/dbraw/zinc/72/72/85/1187727285.db2.gz MBKXVUPQEYIXGW-WCQYABFASA-N 0 3 376.413 0.076 20 0 GCADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001025002096 1187745095 /nfs/dbraw/zinc/74/50/95/1187745095.db2.gz ZQZJKUXXIAFEGG-KCYZZUKISA-N 0 3 389.500 0.086 20 0 GCADHN CN(C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCCN(C)C1 ZINC000892545761 1187749880 /nfs/dbraw/zinc/74/98/80/1187749880.db2.gz XQYWYTMVNNXWAP-KRWDZBQOSA-N 0 3 388.516 0.856 20 0 GCADHN COC(=O)c1cn(C2CCN(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)CC2)nn1 ZINC000376294433 1187751899 /nfs/dbraw/zinc/75/18/99/1187751899.db2.gz BCTDIIIZOXPUHL-IUODEOHRSA-N 0 3 376.461 0.894 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 ZINC000174901401 1187770534 /nfs/dbraw/zinc/77/05/34/1187770534.db2.gz QUJSBJRCNNXFRR-INIZCTEOSA-N 0 3 385.468 0.926 20 0 GCADHN CN1C(=O)N[C@]2(CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C2)C1=O ZINC000332841189 1187790466 /nfs/dbraw/zinc/79/04/66/1187790466.db2.gz KFUHKCBPCZQDOK-JXFKEZNVSA-N 0 3 385.468 0.987 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000376397714 1187812403 /nfs/dbraw/zinc/81/24/03/1187812403.db2.gz FBXATMBPIHBVSU-HZPDHXFCSA-N 0 3 384.521 0.765 20 0 GCADHN CS(=O)(=O)N1CCN(c2cccc(-n3nc(CN)c4ccccc43)n2)CC1 ZINC001167696734 1187817949 /nfs/dbraw/zinc/81/79/49/1187817949.db2.gz JVOPZTMEXQFYPS-UHFFFAOYSA-N 0 3 386.481 0.961 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1 ZINC000376406838 1187818426 /nfs/dbraw/zinc/81/84/26/1187818426.db2.gz JOPVAMPFWBORPH-SFHVURJKSA-N 0 3 390.492 0.750 20 0 GCADHN CCS(=O)(=O)N(C)CC(=O)N1CCC[C@@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000376407195 1187819138 /nfs/dbraw/zinc/81/91/38/1187819138.db2.gz LQFRBEWMZOPKBM-OAHLLOKOSA-N 0 3 397.545 0.993 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 ZINC000152926706 1187823409 /nfs/dbraw/zinc/82/34/09/1187823409.db2.gz ICQBFPXZAAGOBW-OAHLLOKOSA-N 0 3 378.498 0.633 20 0 GCADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CN[C@H]1CCCc2c1cnn2CCO ZINC000647519660 1187828773 /nfs/dbraw/zinc/82/87/73/1187828773.db2.gz SVAHGRPVYFHZJJ-DYVFJYSZSA-N 0 3 384.436 0.500 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)C4CCCCC4)CC3)C[C@@H]21 ZINC000658978227 1187829166 /nfs/dbraw/zinc/82/91/66/1187829166.db2.gz KDMAMYSPFCQBFW-SJORKVTESA-N 0 3 376.501 0.400 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCO[C@H](C4CC4)C3)CC2)C[C@H](C)O1 ZINC000658987307 1187831474 /nfs/dbraw/zinc/83/14/74/1187831474.db2.gz VVQKXUFWQZJUHK-FCEWJHQRSA-N 0 3 393.528 0.972 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000658993684 1187832950 /nfs/dbraw/zinc/83/29/50/1187832950.db2.gz CKMJDCXSDOHLCL-UHFFFAOYSA-N 0 3 380.430 0.179 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@@H]3CCCS3(=O)=O)cc2)CC1 ZINC000162215148 1187842720 /nfs/dbraw/zinc/84/27/20/1187842720.db2.gz OWLUQMKWWLXYRP-SFHVURJKSA-N 0 3 394.541 0.810 20 0 GCADHN CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103121713 1187844474 /nfs/dbraw/zinc/84/44/74/1187844474.db2.gz MUWMKJCCAYZBAU-IBGZPJMESA-N 0 3 384.480 0.731 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000103602474 1187849736 /nfs/dbraw/zinc/84/97/36/1187849736.db2.gz SBZMQRHZTKKDLS-UHFFFAOYSA-N 0 3 399.499 0.963 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC(F)(c3cccnc3)CC2)n1 ZINC000376465498 1187858381 /nfs/dbraw/zinc/85/83/81/1187858381.db2.gz YKYJTWGXZMBMLT-UHFFFAOYSA-N 0 3 375.452 0.800 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](c2cnn(C)c2)c2ccccc2)n1 ZINC000376471928 1187861994 /nfs/dbraw/zinc/86/19/94/1187861994.db2.gz BQGSEYWVNSZNBM-MRXNPFEDSA-N 0 3 382.472 0.297 20 0 GCADHN CC[C@H](NC(=O)NC[C@@]1(O)CCN(C)C1)c1ccccc1OCC(=O)N(C)C ZINC000460250892 1187880568 /nfs/dbraw/zinc/88/05/68/1187880568.db2.gz JPRAKROYCIZKRM-JXFKEZNVSA-N 0 3 392.500 0.971 20 0 GCADHN CCc1nsc(N2CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)n1 ZINC000376487870 1187880641 /nfs/dbraw/zinc/88/06/41/1187880641.db2.gz YHUAOGBMNSUNFN-KGLIPLIRSA-N 0 3 380.518 0.795 20 0 GCADHN C[C@H](NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892653054 1187885483 /nfs/dbraw/zinc/88/54/83/1187885483.db2.gz FZOVRIOCHPWZGJ-UONOGXRCSA-N 0 3 389.518 0.479 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccc(F)cc2OCC(F)F)n1 ZINC000659110489 1187886357 /nfs/dbraw/zinc/88/63/57/1187886357.db2.gz KLXGDRXWDJSRMD-UHFFFAOYSA-N 0 3 399.329 0.679 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)n1 ZINC000659110651 1187886383 /nfs/dbraw/zinc/88/63/83/1187886383.db2.gz ONXMDIHNWUYQSV-UHFFFAOYSA-N 0 3 399.329 0.837 20 0 GCADHN CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659111096 1187887498 /nfs/dbraw/zinc/88/74/98/1187887498.db2.gz ZJHRZKPDZUUQCL-LLVKDONJSA-N 0 3 375.433 0.699 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(F)c1 ZINC000659110444 1187887900 /nfs/dbraw/zinc/88/79/00/1187887900.db2.gz ILBDZWWPIUCUTE-UHFFFAOYSA-N 0 3 377.376 0.822 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)C1 ZINC000659111902 1187888178 /nfs/dbraw/zinc/88/81/78/1187888178.db2.gz CVEYNYZFCAUDOY-CEXWTWQISA-N 0 3 398.507 0.989 20 0 GCADHN O=C(CCN1CCN([C@@H]2CCC[C@H]2O)CC1)N1CCN(c2ccccn2)CC1 ZINC000376495584 1187890387 /nfs/dbraw/zinc/89/03/87/1187890387.db2.gz PGGDDOVHOPGODV-RTBURBONSA-N 0 3 387.528 0.651 20 0 GCADHN O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000659132794 1187900486 /nfs/dbraw/zinc/90/04/86/1187900486.db2.gz GSCHXHDNGVSHKT-MSOLQXFVSA-N 0 3 379.501 0.870 20 0 GCADHN O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000659132797 1187900584 /nfs/dbraw/zinc/90/05/84/1187900584.db2.gz GSCHXHDNGVSHKT-ZWKOTPCHSA-N 0 3 379.501 0.870 20 0 GCADHN CC1CCC(N2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)CC1 ZINC000115481049 1187903461 /nfs/dbraw/zinc/90/34/61/1187903461.db2.gz KKPVFVBPFFONPE-UHFFFAOYSA-N 0 3 383.518 0.644 20 0 GCADHN NC(=O)[C@H](NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccccc1 ZINC000605593805 1187917590 /nfs/dbraw/zinc/91/75/90/1187917590.db2.gz NFXRFWKVKZHZBR-QGZVFWFLSA-N 0 3 381.498 0.776 20 0 GCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000642958485 1187922301 /nfs/dbraw/zinc/92/23/01/1187922301.db2.gz DCXUGSQQCPFATK-GXTWGEPZSA-N 0 3 379.457 0.891 20 0 GCADHN C[C@H](C(=O)NC(N)=O)N(C)CC1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001267600917 1187924974 /nfs/dbraw/zinc/92/49/74/1187924974.db2.gz WJJXCPSJVZTIHO-SYAUCNOPSA-N 0 3 380.489 0.555 20 0 GCADHN N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N1CCNCC1 ZINC000659301318 1187928275 /nfs/dbraw/zinc/92/82/75/1187928275.db2.gz XAOMDQSSNUVLAW-FQEVSTJZSA-N 0 3 396.491 0.683 20 0 GCADHN O=C(C(=O)N1CCN(CC2CCOCC2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000659345132 1187945087 /nfs/dbraw/zinc/94/50/87/1187945087.db2.gz BOVIMOIDKYZOAX-LJQANCHMSA-N 0 3 392.544 0.644 20 0 GCADHN Cc1ccc([C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)N2CCOCC2)o1 ZINC000659428736 1187956584 /nfs/dbraw/zinc/95/65/84/1187956584.db2.gz ACWNNYNRTKNRQW-AWEZNQCLSA-N 0 3 390.444 0.415 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000659424845 1187956615 /nfs/dbraw/zinc/95/66/15/1187956615.db2.gz GZMNEYVSIWUUJW-MRXNPFEDSA-N 0 3 386.456 0.341 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2cccnc2OCC(F)(F)F)n1 ZINC000659433957 1187957252 /nfs/dbraw/zinc/95/72/52/1187957252.db2.gz PWZOWBLQMXVQBI-UHFFFAOYSA-N 0 3 386.334 0.976 20 0 GCADHN C[C@@H]1CN(c2ccc(CNC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)cn2)CCO1 ZINC000659432658 1187957258 /nfs/dbraw/zinc/95/72/58/1187957258.db2.gz IEOHIOIOCWBXAM-GFCCVEGCSA-N 0 3 387.444 0.260 20 0 GCADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659442730 1187958955 /nfs/dbraw/zinc/95/89/55/1187958955.db2.gz SOGCGKYEHGISPU-JTQLQIEISA-N 0 3 394.457 0.109 20 0 GCADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659449057 1187959741 /nfs/dbraw/zinc/95/97/41/1187959741.db2.gz PJXWPCYCRIZWFC-JTQLQIEISA-N 0 3 394.457 0.109 20 0 GCADHN O=C(N[C@@H]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000973486198 1187969932 /nfs/dbraw/zinc/96/99/32/1187969932.db2.gz AOUXBDSPFMGHDR-UZLJQENCSA-N 0 3 375.469 0.181 20 0 GCADHN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC000973483251 1187970566 /nfs/dbraw/zinc/97/05/66/1187970566.db2.gz BAOMGJDLLDMXEJ-RXQGSGQLSA-N 0 3 387.480 0.036 20 0 GCADHN COc1cncc(CNCC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)n1 ZINC001104673480 1187975417 /nfs/dbraw/zinc/97/54/17/1187975417.db2.gz YQJYZXSVRIHIMR-LUYZLQTOSA-N 0 3 391.472 0.092 20 0 GCADHN CC(C)(C)N1C[C@H](CNC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1=O ZINC000659608327 1187976035 /nfs/dbraw/zinc/97/60/35/1187976035.db2.gz MVPQFBONTDBPNB-ZFWWWQNUSA-N 0 3 377.493 0.730 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)n1 ZINC000659628396 1187977296 /nfs/dbraw/zinc/97/72/96/1187977296.db2.gz BVWPFOGNZQUCEW-AWEZNQCLSA-N 0 3 384.440 0.489 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)n1 ZINC000659630649 1187978261 /nfs/dbraw/zinc/97/82/61/1187978261.db2.gz LGAWABSKXMWWPL-OTYXRUKQSA-N 0 3 377.367 0.924 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)n1 ZINC000659631181 1187978520 /nfs/dbraw/zinc/97/85/20/1187978520.db2.gz AVTDYQLNCNOFNP-SNVBAGLBSA-N 0 3 383.355 0.158 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)n1 ZINC000659630648 1187978605 /nfs/dbraw/zinc/97/86/05/1187978605.db2.gz LGAWABSKXMWWPL-LKFCYVNXSA-N 0 3 377.367 0.924 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC(NC(=O)c3ccccc3)CC2)n1 ZINC000659632426 1187978729 /nfs/dbraw/zinc/97/87/29/1187978729.db2.gz XLBNXQNEJSFLIN-UHFFFAOYSA-N 0 3 384.440 0.745 20 0 GCADHN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000549112593 1187981937 /nfs/dbraw/zinc/98/19/37/1187981937.db2.gz KFGRLLZKFOEFHH-KRWDZBQOSA-N 0 3 378.521 0.487 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC001104686771 1187984112 /nfs/dbraw/zinc/98/41/12/1187984112.db2.gz OTBIQHKTCLAODR-LPWJVIDDSA-N 0 3 392.422 0.251 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNCC(=O)Nc1ccc(F)cc1 ZINC001104686212 1187984367 /nfs/dbraw/zinc/98/43/67/1187984367.db2.gz AVHLYOZLNVCKDT-KFZJALRRSA-N 0 3 390.459 0.960 20 0 GCADHN CN(CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659677947 1187992757 /nfs/dbraw/zinc/99/27/57/1187992757.db2.gz JCZQOQVFYCNHBG-UHFFFAOYSA-N 0 3 386.456 0.290 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000659682909 1187995863 /nfs/dbraw/zinc/99/58/63/1187995863.db2.gz JKXHOQDIPKXCNL-UHFFFAOYSA-N 0 3 399.329 0.472 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)COCc1ccccc1 ZINC000659684956 1187996323 /nfs/dbraw/zinc/99/63/23/1187996323.db2.gz LKRPGVGMGNJJDE-ZDUSSCGKSA-N 0 3 387.440 0.226 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)COCc1ccccc1 ZINC000659684953 1187996438 /nfs/dbraw/zinc/99/64/38/1187996438.db2.gz LKRPGVGMGNJJDE-CYBMUJFWSA-N 0 3 387.440 0.226 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccccc2OCC2CC2)n1 ZINC000659686363 1187997053 /nfs/dbraw/zinc/99/70/53/1187997053.db2.gz SYHNIJDVENGNOG-UHFFFAOYSA-N 0 3 385.424 0.362 20 0 GCADHN CC(C)(C)c1ccc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659688470 1187997431 /nfs/dbraw/zinc/99/74/31/1187997431.db2.gz XOAUQTDUKAPQSF-UHFFFAOYSA-N 0 3 385.468 0.914 20 0 GCADHN CCOc1ccccc1[C@H](CC)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659697830 1187999282 /nfs/dbraw/zinc/99/92/82/1187999282.db2.gz FRUCQCGBDVAMJX-AWEZNQCLSA-N 0 3 387.440 0.923 20 0 GCADHN CCCCO[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659692563 1187999886 /nfs/dbraw/zinc/99/98/86/1187999886.db2.gz SMKYGMVINSSFSU-OLZOCXBDSA-N 0 3 379.461 0.357 20 0 GCADHN COc1ccccc1C(C)(C)CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659690937 1187999974 /nfs/dbraw/zinc/99/99/74/1187999974.db2.gz KJGKWONWLHEFCN-UHFFFAOYSA-N 0 3 387.440 0.360 20 0 GCADHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000659705750 1188002510 /nfs/dbraw/zinc/00/25/10/1188002510.db2.gz NZSOPABFMRXTTE-OWSLCNJRSA-N 0 3 390.528 0.931 20 0 GCADHN Cc1ccc(SC[C@H](C)NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659703591 1188005847 /nfs/dbraw/zinc/00/58/47/1188005847.db2.gz APKOIGGVTGHQBE-LBPRGKRZSA-N 0 3 389.481 0.863 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc2c1OC(F)(F)O2 ZINC000659717875 1188007542 /nfs/dbraw/zinc/00/75/42/1188007542.db2.gz KUHYMAWFZSVINJ-ONGXEEELSA-N 0 3 385.367 0.854 20 0 GCADHN O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)C(=O)NC[C@H]1CNCCO1 ZINC000659726063 1188010444 /nfs/dbraw/zinc/01/04/44/1188010444.db2.gz BDZBHPWOFZUHBA-ZWKOTPCHSA-N 0 3 391.468 0.103 20 0 GCADHN CCN1CCN([C@@H]2CCN(C(=O)NC[C@H](C(C)C)N3CCOCC3)C2)CC1 ZINC000106525013 1188012566 /nfs/dbraw/zinc/01/25/66/1188012566.db2.gz MBQGCTSDFVJMTD-RTBURBONSA-N 0 3 381.565 0.765 20 0 GCADHN COC(=O)c1c(C)csc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000376655551 1188014048 /nfs/dbraw/zinc/01/40/48/1188014048.db2.gz HUSQPZJXYSJDNU-RYUDHWBXSA-N 0 3 381.454 0.761 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1 ZINC000892945024 1188026845 /nfs/dbraw/zinc/02/68/45/1188026845.db2.gz YMQSSBHJQDTWGZ-JXFKEZNVSA-N 0 3 397.516 0.977 20 0 GCADHN CCCCN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415311123 1188028033 /nfs/dbraw/zinc/02/80/33/1188028033.db2.gz QONVDBIPZOVTDB-UHFFFAOYSA-N 0 3 396.513 0.868 20 0 GCADHN CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)N3CCCNCC3)c2)ccn1 ZINC000415313626 1188028682 /nfs/dbraw/zinc/02/86/82/1188028682.db2.gz VUEVXWVCSSORRF-UHFFFAOYSA-N 0 3 397.435 0.994 20 0 GCADHN COc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc(OC)c1OCC(N)=O ZINC000377469610 1188029077 /nfs/dbraw/zinc/02/90/77/1188029077.db2.gz GHMMDTYDRQABHY-ZIAGYGMSSA-N 0 3 393.440 0.161 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)CC1 ZINC000377476013 1188031857 /nfs/dbraw/zinc/03/18/57/1188031857.db2.gz HBXHMBJLSSSEEB-QGZVFWFLSA-N 0 3 390.459 0.425 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2=O ZINC000377473531 1188032108 /nfs/dbraw/zinc/03/21/08/1188032108.db2.gz RJQPLHNFXGCDOH-SIRSKZSMSA-N 0 3 392.500 0.857 20 0 GCADHN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000377481702 1188037762 /nfs/dbraw/zinc/03/77/62/1188037762.db2.gz MWZBZMPPIBWIRK-HZPDHXFCSA-N 0 3 381.498 0.507 20 0 GCADHN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000377481701 1188037905 /nfs/dbraw/zinc/03/79/05/1188037905.db2.gz MWZBZMPPIBWIRK-HOTGVXAUSA-N 0 3 381.498 0.507 20 0 GCADHN C[C@@H]1CNCCN1C(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000415340554 1188049065 /nfs/dbraw/zinc/04/90/65/1188049065.db2.gz FFTOKPKFBHYADA-MRXNPFEDSA-N 0 3 399.495 0.732 20 0 GCADHN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909323059 1188057625 /nfs/dbraw/zinc/05/76/25/1188057625.db2.gz HHNWHZCYQHQNAD-UJPCXNRSSA-N 0 3 396.557 0.963 20 0 GCADHN CNC(=O)COc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000377514102 1188060171 /nfs/dbraw/zinc/06/01/71/1188060171.db2.gz XSGCZGIIWQWZRM-LSDHHAIUSA-N 0 3 377.441 0.413 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)C1 ZINC000549266938 1188069579 /nfs/dbraw/zinc/06/95/79/1188069579.db2.gz IWLIZVBBUKVNIG-HOTGVXAUSA-N 0 3 398.529 0.763 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCCC1 ZINC000377576706 1188079076 /nfs/dbraw/zinc/07/90/76/1188079076.db2.gz ZEZZSWCKDMYKDU-QGZVFWFLSA-N 0 3 380.533 0.500 20 0 GCADHN CN(C)CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCCC1 ZINC000377576705 1188079327 /nfs/dbraw/zinc/07/93/27/1188079327.db2.gz ZEZZSWCKDMYKDU-KRWDZBQOSA-N 0 3 380.533 0.500 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377580880 1188080538 /nfs/dbraw/zinc/08/05/38/1188080538.db2.gz JHCWRXQMWNRPST-CVEARBPZSA-N 0 3 396.513 0.599 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCS(=O)(=O)N(C)C ZINC000462737872 1188081676 /nfs/dbraw/zinc/08/16/76/1188081676.db2.gz QQXQLTLFMQKOQL-UHFFFAOYSA-N 0 3 392.472 0.929 20 0 GCADHN COCCN1CC[C@H](NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)C1 ZINC000377586330 1188082642 /nfs/dbraw/zinc/08/26/42/1188082642.db2.gz UROPIUSOUOZHDO-AVYPCKFXSA-N 0 3 394.516 0.960 20 0 GCADHN CN1CC(=O)N(CC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1=O ZINC000377591554 1188084344 /nfs/dbraw/zinc/08/43/44/1188084344.db2.gz SVHSHFQAJKGZQT-UHFFFAOYSA-N 0 3 380.489 0.810 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)NCCCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000377591069 1188084357 /nfs/dbraw/zinc/08/43/57/1188084357.db2.gz OHTNGAFQURCAGB-GASCZTMLSA-N 0 3 395.504 0.459 20 0 GCADHN CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N(C)CCN(C)C)cc1 ZINC000565188607 1188090895 /nfs/dbraw/zinc/09/08/95/1188090895.db2.gz JPHQESQANLYYJU-AEFFLSMTSA-N 0 3 397.541 0.954 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000415518364 1188096897 /nfs/dbraw/zinc/09/68/97/1188096897.db2.gz IURQCZGPTMUMEH-NWDGAFQWSA-N 0 3 398.485 0.591 20 0 GCADHN CC(C)[C@]1(CO)CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000377683948 1188104298 /nfs/dbraw/zinc/10/42/98/1188104298.db2.gz VMROQDFQAJRVSO-DNVCBOLYSA-N 0 3 397.541 0.722 20 0 GCADHN CCN(CC)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cn1 ZINC000377721015 1188115082 /nfs/dbraw/zinc/11/50/82/1188115082.db2.gz DOPGXOICCSAFSN-JKSUJKDBSA-N 0 3 375.473 0.846 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)c1 ZINC000415604600 1188121681 /nfs/dbraw/zinc/12/16/81/1188121681.db2.gz MYWXHDLCTSCRPN-KRWDZBQOSA-N 0 3 387.484 0.110 20 0 GCADHN C[C@@H]1CN(c2cc(C(N)=O)nc(N3C[C@H](C)N(C)C[C@@H]3C)n2)[C@@H](C)CN1C ZINC000893077652 1188138295 /nfs/dbraw/zinc/13/82/95/1188138295.db2.gz BNDXWAVQYVAKMK-QPSCCSFWSA-N 0 3 375.521 0.633 20 0 GCADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000415704189 1188143818 /nfs/dbraw/zinc/14/38/18/1188143818.db2.gz GIQKOMAXAYWSCV-GOSISDBHSA-N 0 3 391.435 0.912 20 0 GCADHN O=C(NC[C@H]1NCCc2ccccc21)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000415706801 1188145336 /nfs/dbraw/zinc/14/53/36/1188145336.db2.gz IZZGWGMWJJTSDQ-IEBWSBKVSA-N 0 3 394.431 0.853 20 0 GCADHN CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000377860400 1188158266 /nfs/dbraw/zinc/15/82/66/1188158266.db2.gz JZMTVPBKUVVOBD-DLBZAZTESA-N 0 3 381.498 0.719 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCNC[C@](C)(F)C3)cn2)CC1 ZINC000415780179 1188163425 /nfs/dbraw/zinc/16/34/25/1188163425.db2.gz KEPSYJOPELPHKL-IBGZPJMESA-N 0 3 393.463 0.653 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896734 1188165519 /nfs/dbraw/zinc/16/55/19/1188165519.db2.gz AHMBOIRVGQQREP-MOPGFXCFSA-N 0 3 393.576 0.604 20 0 GCADHN CCN(CCO)C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000377905923 1189369339 /nfs/dbraw/zinc/36/93/39/1189369339.db2.gz IEVNLPRVXOZFJV-KRWDZBQOSA-N 0 3 390.484 0.632 20 0 GCADHN COC(=O)[C@@H](CC(C)C)NC(=O)CN1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000377917353 1189370969 /nfs/dbraw/zinc/37/09/69/1189370969.db2.gz SWIAOGXUYVOZFU-QZTJIDSGSA-N 0 3 382.549 0.791 20 0 GCADHN C[C@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000377917192 1189373549 /nfs/dbraw/zinc/37/35/49/1189373549.db2.gz RYZCOCDEFHPTNE-WMLDXEAASA-N 0 3 390.484 0.678 20 0 GCADHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000415843977 1189378923 /nfs/dbraw/zinc/37/89/23/1189378923.db2.gz QMKKHAFHGGCNQN-KRWDZBQOSA-N 0 3 384.436 0.868 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000377939618 1189379585 /nfs/dbraw/zinc/37/95/85/1189379585.db2.gz JWQZVIYIPCELJX-LJQANCHMSA-N 0 3 380.489 0.713 20 0 GCADHN CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NC[C@@H]3CNCCO3)ccc21 ZINC000415859918 1189384014 /nfs/dbraw/zinc/38/40/14/1189384014.db2.gz HBTPPKHKHOLZKO-HNNXBMFYSA-N 0 3 388.424 0.248 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1OCC(=O)N2 ZINC000377951974 1189385644 /nfs/dbraw/zinc/38/56/44/1189385644.db2.gz JATKZJJUWXNOLU-ZDUSSCGKSA-N 0 3 390.440 0.525 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NC[C@H]2CNCCO2)C[C@@H](C)O1 ZINC000415866734 1189388429 /nfs/dbraw/zinc/38/84/29/1189388429.db2.gz OPONSVJUOODQCH-BFYDXBDKSA-N 0 3 390.484 0.339 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CNCCO2)nn1-c1ccccc1Cl ZINC000415868033 1189389061 /nfs/dbraw/zinc/38/90/61/1189389061.db2.gz PWQSOBAOTGPIKC-LBPRGKRZSA-N 0 3 377.832 0.877 20 0 GCADHN Cn1ccnc1Sc1ccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000415868682 1189389970 /nfs/dbraw/zinc/38/99/70/1189389970.db2.gz QLTGIBLMXJYPKJ-ZDUSSCGKSA-N 0 3 375.454 0.614 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415869991 1189390117 /nfs/dbraw/zinc/39/01/17/1189390117.db2.gz RWXSFTGUYZDWMX-NSHDSACASA-N 0 3 398.250 1.222 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000415872234 1189392896 /nfs/dbraw/zinc/39/28/96/1189392896.db2.gz WFBYCNYPSIZUDY-LBPRGKRZSA-N 0 3 397.357 0.934 20 0 GCADHN COC(=O)c1ccc(C(C)C)c(NC(=O)C(=O)N2CCOC3(CNC3)C2)c1 ZINC000415884688 1189394450 /nfs/dbraw/zinc/39/44/50/1189394450.db2.gz DMQAXYYNKDPCHY-UHFFFAOYSA-N 0 3 375.425 0.736 20 0 GCADHN CCN(CC)CC(=O)N1CCN(Cc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000659877060 1189407726 /nfs/dbraw/zinc/40/77/26/1189407726.db2.gz BSSXLWHKKJLYLP-UHFFFAOYSA-N 0 3 382.530 0.581 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCCO3)C1=O ZINC000415974976 1189412535 /nfs/dbraw/zinc/41/25/35/1189412535.db2.gz OYBZRCRQZYMHFJ-AWEZNQCLSA-N 0 3 376.413 0.454 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415981690 1189412616 /nfs/dbraw/zinc/41/26/16/1189412616.db2.gz CKQZZIXWCVZVGS-RYUDHWBXSA-N 0 3 378.429 0.746 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCCC(=O)N3CCOCC3)C2)CC1 ZINC000378112080 1189417411 /nfs/dbraw/zinc/41/74/11/1189417411.db2.gz ODYWZBICDGEGOU-KRWDZBQOSA-N 0 3 381.521 0.045 20 0 GCADHN NS(=O)(=O)c1ccc(F)c(CNC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000651296941 1189418313 /nfs/dbraw/zinc/41/83/13/1189418313.db2.gz RSUUTEIDZUWQJP-CYBMUJFWSA-N 0 3 388.465 0.119 20 0 GCADHN CN(C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)[C@@H]1CCCN(C)C1 ZINC000893168701 1189435006 /nfs/dbraw/zinc/43/50/06/1189435006.db2.gz VPJLOYVPAVPMDE-OAHLLOKOSA-N 0 3 398.533 0.309 20 0 GCADHN CC(C)O[C@]1(CS(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)CCOC1 ZINC000659900421 1189436400 /nfs/dbraw/zinc/43/64/00/1189436400.db2.gz IPBGMFZJDTVMMS-DOTOQJQBSA-N 0 3 391.534 0.077 20 0 GCADHN CC(C)NC(=O)CN(C)CC1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001267739907 1189438100 /nfs/dbraw/zinc/43/81/00/1189438100.db2.gz MIRDMWBAYODMNP-JENIJYKNSA-N 0 3 381.517 0.733 20 0 GCADHN CN(C)c1nc2cc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)ccc2o1 ZINC000378186046 1189438476 /nfs/dbraw/zinc/43/84/76/1189438476.db2.gz ULHVKRWPSPDULR-UONOGXRCSA-N 0 3 387.440 0.812 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 ZINC000651331048 1189439225 /nfs/dbraw/zinc/43/92/25/1189439225.db2.gz NSBZSYWYLCNRIE-YOEHRIQHSA-N 0 3 380.464 0.059 20 0 GCADHN Cc1ccc(-c2nnn(CC(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)n2)cc1 ZINC000106765505 1189439961 /nfs/dbraw/zinc/43/99/61/1189439961.db2.gz FUDSYJOIUPFSNK-QGZVFWFLSA-N 0 3 397.483 0.589 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H]2CCCC[C@H]12 ZINC000659903268 1189440114 /nfs/dbraw/zinc/44/01/14/1189440114.db2.gz XBQXJJMVUWSBMX-KURKYZTESA-N 0 3 390.528 0.790 20 0 GCADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N(C)CCN(C)C ZINC000416170476 1189448349 /nfs/dbraw/zinc/44/83/49/1189448349.db2.gz KNTVIJOPJASPLC-XQHKEYJVSA-N 0 3 375.391 0.992 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000041640400 1189455520 /nfs/dbraw/zinc/45/55/20/1189455520.db2.gz CZEOZWLAXHCEKD-AWEZNQCLSA-N 0 3 375.473 0.726 20 0 GCADHN COc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000659924508 1189456494 /nfs/dbraw/zinc/45/64/94/1189456494.db2.gz BNSRWYAIGXNAJO-AWEZNQCLSA-N 0 3 385.461 0.761 20 0 GCADHN COc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000659924509 1189457066 /nfs/dbraw/zinc/45/70/66/1189457066.db2.gz BNSRWYAIGXNAJO-CQSZACIVSA-N 0 3 385.461 0.761 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(C(=O)NC)ccc2C)CC1 ZINC000041719075 1189457336 /nfs/dbraw/zinc/45/73/36/1189457336.db2.gz JZPLORFNDZCOAQ-UHFFFAOYSA-N 0 3 375.473 0.047 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(C(=O)NC)ccc2C)CC1 ZINC000041720567 1189457439 /nfs/dbraw/zinc/45/74/39/1189457439.db2.gz XPJODHWCRCFSEJ-UHFFFAOYSA-N 0 3 389.500 0.437 20 0 GCADHN CCN1CCN([C@@H]2CCN(CC(=O)NCCCN3CCCCCC3=O)C2)CC1 ZINC000107370520 1189457889 /nfs/dbraw/zinc/45/78/89/1189457889.db2.gz VFPDNVWVICTNSD-LJQANCHMSA-N 0 3 393.576 0.607 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000378305712 1189468736 /nfs/dbraw/zinc/46/87/36/1189468736.db2.gz CIHVPOPPKKULNV-CRAIPNDOSA-N 0 3 394.541 0.693 20 0 GCADHN O=C(COc1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000378313230 1189473682 /nfs/dbraw/zinc/47/36/82/1189473682.db2.gz SFHWFQNOODBEJE-SFHVURJKSA-N 0 3 390.459 0.265 20 0 GCADHN COc1ccccc1CNC(=O)[C@@H](C)N1CCC(O)(CN2CCOCC2)CC1 ZINC000378425513 1189505567 /nfs/dbraw/zinc/50/55/67/1189505567.db2.gz FTINUVJVXNAZFY-QGZVFWFLSA-N 0 3 391.512 0.859 20 0 GCADHN C[C@H](CNC(=O)NC[C@]1(c2cnn(C)c2)CCCO1)CN1CCN(C)CC1 ZINC000893235986 1189505621 /nfs/dbraw/zinc/50/56/21/1189505621.db2.gz CPHLTUFTASHTAR-APWZRJJASA-N 0 3 378.521 0.609 20 0 GCADHN COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000893236527 1189506364 /nfs/dbraw/zinc/50/63/64/1189506364.db2.gz HVJUFDLQHCXICP-LSDHHAIUSA-N 0 3 392.504 0.687 20 0 GCADHN C[C@@H](CNC(=O)N[C@H]1c2ccccc2OC[C@H]1CO)CN1CCN(C)CC1 ZINC000893238407 1189507845 /nfs/dbraw/zinc/50/78/45/1189507845.db2.gz SUZWEZUUHACTQG-FRQCXROJSA-N 0 3 376.501 0.911 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@]2(c3cnn(C)c3)CCCO2)CC1 ZINC000893237302 1189508306 /nfs/dbraw/zinc/50/83/06/1189508306.db2.gz HNFUAFTWDBXQHA-PXNSSMCTSA-N 0 3 392.548 0.999 20 0 GCADHN C[C@H]1CCSCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000660001189 1189520067 /nfs/dbraw/zinc/52/00/67/1189520067.db2.gz AEWGKYUHAPFBJL-LSDHHAIUSA-N 0 3 382.530 0.105 20 0 GCADHN CCCN(CCN1CCCC1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000367435275 1189523198 /nfs/dbraw/zinc/52/31/98/1189523198.db2.gz MSBGAGZENNYEKJ-OAHLLOKOSA-N 0 3 398.529 0.486 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1 ZINC000416463687 1189523496 /nfs/dbraw/zinc/52/34/96/1189523496.db2.gz VRCUQFSCDBEKED-NSHDSACASA-N 0 3 387.433 0.631 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1 ZINC000416469744 1189524582 /nfs/dbraw/zinc/52/45/82/1189524582.db2.gz DYQPYMKHADSWBH-LLVKDONJSA-N 0 3 386.449 0.565 20 0 GCADHN C[C@H](O)c1cn(C2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C2)nn1 ZINC000378534620 1189529871 /nfs/dbraw/zinc/52/98/71/1189529871.db2.gz DBLUIAZVUJZQMU-INIZCTEOSA-N 0 3 384.484 0.927 20 0 GCADHN COC(=O)c1coc(CNC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000363886949 1189550569 /nfs/dbraw/zinc/55/05/69/1189550569.db2.gz JYTVFNYKOJIEDZ-UHFFFAOYSA-N 0 3 387.458 0.197 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCC3(CS(C)(=O)=O)CC3)C2)CC1 ZINC000363891800 1189555602 /nfs/dbraw/zinc/55/56/02/1189555602.db2.gz HEBPJCMNHSWYRS-MRXNPFEDSA-N 0 3 386.562 0.621 20 0 GCADHN CN1CCC(CNS(=O)(=O)c2cccc3c2OCO3)(N2CCOCC2)CC1 ZINC000416585539 1189556265 /nfs/dbraw/zinc/55/62/65/1189556265.db2.gz OBBZBQSEPRBKJW-UHFFFAOYSA-N 0 3 397.497 0.490 20 0 GCADHN CCOc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000416583103 1189556329 /nfs/dbraw/zinc/55/63/29/1189556329.db2.gz LYNWCEQCXCDXKV-UHFFFAOYSA-N 0 3 398.529 0.555 20 0 GCADHN CN(CCNCC(=O)NC[C@H]1Cc2ccccc2O1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001481258936 1189563210 /nfs/dbraw/zinc/56/32/10/1189563210.db2.gz FVNKZFQLJQTHNQ-ZDCWYSAZSA-N 0 3 399.491 0.578 20 0 GCADHN COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000416668815 1189569908 /nfs/dbraw/zinc/56/99/08/1189569908.db2.gz YUCIIUOXHZCMNK-HNNXBMFYSA-N 0 3 383.470 0.191 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccco1 ZINC000416809641 1189585791 /nfs/dbraw/zinc/58/57/91/1189585791.db2.gz JIJXXDSBLGCNDY-HZPDHXFCSA-N 0 3 377.489 0.736 20 0 GCADHN CCN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@@H]1CCN(CCOCCNC(C)=O)C1 ZINC001267787891 1189586588 /nfs/dbraw/zinc/58/65/88/1189586588.db2.gz MCWDXNLMWBDKRO-ZSYWTGECSA-N 0 3 381.517 0.877 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000363951919 1189586804 /nfs/dbraw/zinc/58/68/04/1189586804.db2.gz VAIXVNIXVMHMJP-MAUKXSAKSA-N 0 3 377.533 0.665 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)ccc1F ZINC000363974515 1189600186 /nfs/dbraw/zinc/60/01/86/1189600186.db2.gz NEYKOBQCILBRPD-LLVKDONJSA-N 0 3 387.419 0.815 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000274437141 1189609184 /nfs/dbraw/zinc/60/91/84/1189609184.db2.gz KXNGEBBPHYCLEG-OAHLLOKOSA-N 0 3 378.473 0.281 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)NCCOc3ccc4c(c3)OCO4)C2)nn1 ZINC000417121804 1189618801 /nfs/dbraw/zinc/61/88/01/1189618801.db2.gz PFAJCFJCKZXARM-AWEZNQCLSA-N 0 3 388.428 0.891 20 0 GCADHN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000364031369 1189619481 /nfs/dbraw/zinc/61/94/81/1189619481.db2.gz GHFNSYIKPPLDTO-NVXWUHKLSA-N 0 3 390.484 0.975 20 0 GCADHN Cc1ccc(NC(=O)CN[C@@H](CO)C2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000584674466 1189623021 /nfs/dbraw/zinc/62/30/21/1189623021.db2.gz BZXVXVSJJOZMTH-INIZCTEOSA-N 0 3 399.513 0.561 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000584673211 1189623983 /nfs/dbraw/zinc/62/39/83/1189623983.db2.gz OGRJLPKDMNGFCC-QGZVFWFLSA-N 0 3 382.549 0.936 20 0 GCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2=O ZINC000364057548 1189634899 /nfs/dbraw/zinc/63/48/99/1189634899.db2.gz HDUMWTOTADKDEN-GPINWOSQSA-N 0 3 378.473 0.467 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000660176941 1189636051 /nfs/dbraw/zinc/63/60/51/1189636051.db2.gz MNWUDZMRVRQKIK-IAGOWNOFSA-N 0 3 379.457 0.576 20 0 GCADHN Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000612524626 1189640076 /nfs/dbraw/zinc/64/00/76/1189640076.db2.gz WNUOWTMPXMJDKR-BRWVUGGUSA-N 0 3 389.500 0.653 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584768638 1189657633 /nfs/dbraw/zinc/65/76/33/1189657633.db2.gz QZFNLXJDDHGKFJ-CALCHBBNSA-N 0 3 382.549 0.933 20 0 GCADHN C[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000660232630 1189679978 /nfs/dbraw/zinc/67/99/78/1189679978.db2.gz XDURXEGXQVHICH-XJKSGUPXSA-N 0 3 396.513 0.948 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000584829484 1189683551 /nfs/dbraw/zinc/68/35/51/1189683551.db2.gz JOVKRACAHSQGQD-ZDUSSCGKSA-N 0 3 384.839 0.935 20 0 GCADHN O=C(NCC[C@@]1(O)CCCOC1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000651439674 1189689282 /nfs/dbraw/zinc/68/92/82/1189689282.db2.gz SGESPDDWBDJHCG-VQTJNVASSA-N 0 3 377.485 0.854 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000584852702 1189692078 /nfs/dbraw/zinc/69/20/78/1189692078.db2.gz CPHKIAYILILGID-INIZCTEOSA-N 0 3 388.516 0.002 20 0 GCADHN C[C@H]1CN(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)[C@@H](C)CN1 ZINC000417625907 1189692717 /nfs/dbraw/zinc/69/27/17/1189692717.db2.gz QHTJRWDLIDMRCJ-KBPBESRZSA-N 0 3 384.502 0.191 20 0 GCADHN C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCN1 ZINC000417626824 1189693255 /nfs/dbraw/zinc/69/32/55/1189693255.db2.gz RRAAGVOFGQFXMU-JKSUJKDBSA-N 0 3 389.504 0.285 20 0 GCADHN C[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000418155943 1189729480 /nfs/dbraw/zinc/72/94/80/1189729480.db2.gz AECAMDNYUHWEGN-NEPJUHHUSA-N 0 3 390.456 0.869 20 0 GCADHN CCN1C(=O)[C@@H]2CN(CC(=O)NC[C@@H](c3ccccc3)N(C)C)CCN2C1=O ZINC000364281550 1189730844 /nfs/dbraw/zinc/73/08/44/1189730844.db2.gz MKZMCWBSQVKMOV-IRXDYDNUSA-N 0 3 387.484 0.374 20 0 GCADHN C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000418163639 1189731337 /nfs/dbraw/zinc/73/13/37/1189731337.db2.gz GNUKLJDQOZDPMY-NEPJUHHUSA-N 0 3 390.456 0.930 20 0 GCADHN Cc1nnc2n1C[C@H](C(=O)NCC1CCN(Cc3ccncc3)CC1)N(C)C2 ZINC000617974265 1189750073 /nfs/dbraw/zinc/75/00/73/1189750073.db2.gz GWNAVDJPHITGNH-GOSISDBHSA-N 0 3 383.500 0.824 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000297934713 1189751603 /nfs/dbraw/zinc/75/16/03/1189751603.db2.gz DVOHGRNNLYEADM-HIFRSBDPSA-N 0 3 394.497 0.595 20 0 GCADHN CN(C)C(=O)COc1ccccc1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000093046990 1189752275 /nfs/dbraw/zinc/75/22/75/1189752275.db2.gz GDYDRBPSJYHXQM-UHFFFAOYSA-N 0 3 388.512 0.894 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000298012041 1189752615 /nfs/dbraw/zinc/75/26/15/1189752615.db2.gz SPRTVTYDCCUDBR-HIFRSBDPSA-N 0 3 378.429 0.127 20 0 GCADHN CN(C)Cc1ccc(N2CCN(C(=O)NC[C@@H]3CCN(C)C(=O)C3)CC2)nc1 ZINC000582118802 1189759139 /nfs/dbraw/zinc/75/91/39/1189759139.db2.gz OEHBWPCHIBLPOS-MRXNPFEDSA-N 0 3 388.516 0.843 20 0 GCADHN CC1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000046956129 1189773082 /nfs/dbraw/zinc/77/30/82/1189773082.db2.gz IBSBAGIKVWQHKO-UHFFFAOYSA-N 0 3 384.502 0.497 20 0 GCADHN CCc1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2cnn(C)c2)N(C)C)cc1 ZINC000047054858 1189779099 /nfs/dbraw/zinc/77/90/99/1189779099.db2.gz HPXKRMXUQROLIH-QGZVFWFLSA-N 0 3 393.513 0.680 20 0 GCADHN COC(=O)COc1cccc(C(=O)NCC(=O)NCCN2CCCCC2)c1 ZINC000909326311 1189792510 /nfs/dbraw/zinc/79/25/10/1189792510.db2.gz UZSXNHYJWZZWPE-UHFFFAOYSA-N 0 3 377.441 0.570 20 0 GCADHN O=C(CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)NCCN1CCCCC1 ZINC000909326388 1189792827 /nfs/dbraw/zinc/79/28/27/1189792827.db2.gz PGNIZDIXSBMPNZ-MRXNPFEDSA-N 0 3 387.484 0.148 20 0 GCADHN O=C(CNC(=O)CN1c2ccccc2OCCC1=O)NCCN1CCCCC1 ZINC000909326964 1189794718 /nfs/dbraw/zinc/79/47/18/1189794718.db2.gz IQIPPRGRNBOGGJ-UHFFFAOYSA-N 0 3 388.468 0.520 20 0 GCADHN O=C(CNC(=O)CNC(=O)Cc1cccc(F)c1)NCCN1CCCCC1 ZINC000909327041 1189794856 /nfs/dbraw/zinc/79/48/56/1189794856.db2.gz TWNLDAVEJBGHRZ-UHFFFAOYSA-N 0 3 378.448 0.203 20 0 GCADHN O=C(CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NCCN1CCCCC1 ZINC000909327349 1189795999 /nfs/dbraw/zinc/79/59/99/1189795999.db2.gz CKFHPMDJQFWWPX-HNNXBMFYSA-N 0 3 376.457 0.346 20 0 GCADHN O=C(CNC(=O)c1ccc(N2C(=O)CCC2=O)cc1)NCCN1CCCCC1 ZINC000909327276 1189796047 /nfs/dbraw/zinc/79/60/47/1189796047.db2.gz CNVWKVFZZGURIE-UHFFFAOYSA-N 0 3 386.452 0.672 20 0 GCADHN O=C(CNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1)NCCN1CCCCC1 ZINC000909327337 1189796227 /nfs/dbraw/zinc/79/62/27/1189796227.db2.gz VGURRLTUEDPNBO-IBGZPJMESA-N 0 3 388.512 0.606 20 0 GCADHN O=C(CCCNC(=O)c1ccsc1)NCC(=O)NCCN1CCCCC1 ZINC000909327970 1189796695 /nfs/dbraw/zinc/79/66/95/1189796695.db2.gz ROCLLHCKEIJHGJ-UHFFFAOYSA-N 0 3 380.514 0.976 20 0 GCADHN O=C(CNC(=O)c1ccc(=O)n(-c2ccccc2)n1)NCCN1CCCCC1 ZINC000909327842 1189796885 /nfs/dbraw/zinc/79/68/85/1189796885.db2.gz DSWMMUMJDBVPMW-UHFFFAOYSA-N 0 3 383.452 0.564 20 0 GCADHN O=C(CNC(=O)CSCC(=O)N1CCCCC1)NCCN1CCCCC1 ZINC000909329858 1189802875 /nfs/dbraw/zinc/80/28/75/1189802875.db2.gz ZNHGPOQJHZBEQZ-UHFFFAOYSA-N 0 3 384.546 0.450 20 0 GCADHN Cn1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1C(=O)NCC(F)(F)F ZINC000487340695 1189807615 /nfs/dbraw/zinc/80/76/15/1189807615.db2.gz QJWIWRCNYHUMDC-PHIMTYICSA-N 0 3 394.419 0.499 20 0 GCADHN CCC[C@@H](C)C(=O)NCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000458809424 1189808390 /nfs/dbraw/zinc/80/83/90/1189808390.db2.gz AITOKTXCYZNPJC-HZPDHXFCSA-N 0 3 381.521 0.487 20 0 GCADHN CCC[C@H](C)C(=O)NCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000458809418 1189808599 /nfs/dbraw/zinc/80/85/99/1189808599.db2.gz AITOKTXCYZNPJC-HOTGVXAUSA-N 0 3 381.521 0.487 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C[C@@H](CO)O1 ZINC000660469728 1189842202 /nfs/dbraw/zinc/84/22/02/1189842202.db2.gz BQBAEQOGGDUJGP-NJAFHUGGSA-N 0 3 375.469 0.328 20 0 GCADHN COC[C@@]1(CO)CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000660470360 1189842401 /nfs/dbraw/zinc/84/24/01/1189842401.db2.gz OOTMGTKOICWXFF-RXVVDRJESA-N 0 3 389.496 0.577 20 0 GCADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000660470336 1189842649 /nfs/dbraw/zinc/84/26/49/1189842649.db2.gz OCZLBRYZFRVYOG-HKUYNNGSSA-N 0 3 388.512 0.244 20 0 GCADHN COC[C@@]1(CO)CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000660470359 1189843525 /nfs/dbraw/zinc/84/35/25/1189843525.db2.gz OOTMGTKOICWXFF-NQIIRXRSSA-N 0 3 389.496 0.577 20 0 GCADHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)N1 ZINC000651547047 1189866185 /nfs/dbraw/zinc/86/61/85/1189866185.db2.gz RDYFUUMMPYPPIX-HZPDHXFCSA-N 0 3 389.481 0.960 20 0 GCADHN CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@@H]3C2)CCC1 ZINC000974764235 1189889352 /nfs/dbraw/zinc/88/93/52/1189889352.db2.gz DXDCVFAXSNKJSZ-DISONHOPSA-N 0 3 391.512 0.582 20 0 GCADHN CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1)C1CCC1 ZINC000974771381 1189891327 /nfs/dbraw/zinc/89/13/27/1189891327.db2.gz HWHHAGVCBZQIEO-CTALVQFKSA-N 0 3 391.512 0.582 20 0 GCADHN Cc1nc(Cn2nnc(C(=O)N(CCN(C)C)Cc3ccccn3)c2C)no1 ZINC000468824110 1189896293 /nfs/dbraw/zinc/89/62/93/1189896293.db2.gz DBVOMMCVWAPAFT-UHFFFAOYSA-N 0 3 384.444 0.925 20 0 GCADHN CC(C)c1nnc(CNC[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)[nH]1 ZINC001026969116 1189897199 /nfs/dbraw/zinc/89/71/99/1189897199.db2.gz MCUBEBXFEIVZAI-WBTNSWJXSA-N 0 3 377.489 0.918 20 0 GCADHN COc1cncc(CNC[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n1 ZINC001026969754 1189900287 /nfs/dbraw/zinc/90/02/87/1189900287.db2.gz CFBWMHSOQLMTBN-YQYZPQCESA-N 0 3 376.457 0.475 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CC1 ZINC000893397586 1189900944 /nfs/dbraw/zinc/90/09/44/1189900944.db2.gz CEIRWLREXPKKPE-INIZCTEOSA-N 0 3 391.534 0.331 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000893397595 1189900990 /nfs/dbraw/zinc/90/09/90/1189900990.db2.gz CEIRWLREXPKKPE-MRXNPFEDSA-N 0 3 391.534 0.331 20 0 GCADHN CC1(C)CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000974848283 1189903348 /nfs/dbraw/zinc/90/33/48/1189903348.db2.gz CPCAZRUQMIGBNW-BMNMPBFRSA-N 0 3 390.484 0.178 20 0 GCADHN CO[C@@H]1CCCC[C@H]1NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000489441124 1189907218 /nfs/dbraw/zinc/90/72/18/1189907218.db2.gz DKHHVCSXHYNACZ-QBPKDAKJSA-N 0 3 388.530 0.728 20 0 GCADHN CCS(=O)(=O)NCCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000660579330 1189908786 /nfs/dbraw/zinc/90/87/86/1189908786.db2.gz XZWGJCDJVQVLHT-UHFFFAOYSA-N 0 3 397.545 0.922 20 0 GCADHN COCC1(NCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)CCOCC1 ZINC000660634926 1189919767 /nfs/dbraw/zinc/91/97/67/1189919767.db2.gz XBXRPLFGBUZDPM-UHFFFAOYSA-N 0 3 379.457 0.877 20 0 GCADHN COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000613758953 1189936531 /nfs/dbraw/zinc/93/65/31/1189936531.db2.gz HPYCDFAZRQRNAC-GFCCVEGCSA-N 0 3 379.461 0.190 20 0 GCADHN CC(C)c1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@H]32)n[nH]1 ZINC000975375503 1189939445 /nfs/dbraw/zinc/93/94/45/1189939445.db2.gz LOKBLRKPDLAHRP-DTTOXWODSA-N 0 3 389.500 0.925 20 0 GCADHN O=C(Cn1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cn1)NCCO ZINC000651659128 1189962060 /nfs/dbraw/zinc/96/20/60/1189962060.db2.gz WYRLHKKKXDSPST-RYUDHWBXSA-N 0 3 378.351 0.678 20 0 GCADHN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000660884162 1189963093 /nfs/dbraw/zinc/96/30/93/1189963093.db2.gz KBFGISVATCGJQP-SOLBZPMBSA-N 0 3 377.485 0.310 20 0 GCADHN CN(CC(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H]2C1)C1CCC1 ZINC000975764986 1189972743 /nfs/dbraw/zinc/97/27/43/1189972743.db2.gz IIUPKJBDNIVAGA-DFGXFYAUSA-N 0 3 390.528 0.822 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C4(N(C)C)CCC4)C[C@@H]32)C1 ZINC000975760409 1189973812 /nfs/dbraw/zinc/97/38/12/1189973812.db2.gz IENYZYHNAKDGOL-TWMKSMIVSA-N 0 3 390.528 0.835 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC12CCC2 ZINC000660993841 1189979354 /nfs/dbraw/zinc/97/93/54/1189979354.db2.gz KEPJNCWSVHCLKG-IRXDYDNUSA-N 0 3 390.528 0.790 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000647707234 1190011509 /nfs/dbraw/zinc/01/15/09/1190011509.db2.gz ZGSSVULWRWKPQC-IRXDYDNUSA-N 0 3 395.525 0.902 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000647707232 1190011866 /nfs/dbraw/zinc/01/18/66/1190011866.db2.gz ZGSSVULWRWKPQC-DLBZAZTESA-N 0 3 395.525 0.902 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 ZINC000651759031 1190013414 /nfs/dbraw/zinc/01/34/14/1190013414.db2.gz YKDRBJDDRLVHOL-PBHICJAKSA-N 0 3 380.464 0.059 20 0 GCADHN CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662751294 1190017255 /nfs/dbraw/zinc/01/72/55/1190017255.db2.gz YXXDRDJRANHXJG-UHFFFAOYSA-N 0 3 378.454 0.682 20 0 GCADHN CC(=O)N[C@H](CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(F)cc1F ZINC000662751409 1190017464 /nfs/dbraw/zinc/01/74/64/1190017464.db2.gz BFFYXSSTWIWCDM-CQSZACIVSA-N 0 3 379.367 0.803 20 0 GCADHN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662751669 1190017501 /nfs/dbraw/zinc/01/75/01/1190017501.db2.gz MTAZJFMNFWLWHD-HNNXBMFYSA-N 0 3 399.451 0.961 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H](c2ccccc2F)N2CCOCC2)n1 ZINC000662751024 1190017614 /nfs/dbraw/zinc/01/76/14/1190017614.db2.gz RQLFSQOTLYVNSY-KRWDZBQOSA-N 0 3 375.404 0.470 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)n1 ZINC000662751625 1190017746 /nfs/dbraw/zinc/01/77/46/1190017746.db2.gz AOMRWPGIOLIVIS-UHFFFAOYSA-N 0 3 377.788 0.909 20 0 GCADHN C[C@H]1Cc2cc(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)ccc2N1S(C)(=O)=O ZINC000662752076 1190018889 /nfs/dbraw/zinc/01/88/89/1190018889.db2.gz GOHZZAYGSUHANF-JTQLQIEISA-N 0 3 391.453 0.282 20 0 GCADHN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662753547 1190019393 /nfs/dbraw/zinc/01/93/93/1190019393.db2.gz SYERDLRDPTXENI-NSHDSACASA-N 0 3 393.469 0.648 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)n1 ZINC000662753035 1190019406 /nfs/dbraw/zinc/01/94/06/1190019406.db2.gz NXDJKWVZCBRXDK-UHFFFAOYSA-N 0 3 377.426 0.012 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000661232718 1190019775 /nfs/dbraw/zinc/01/97/75/1190019775.db2.gz LXQOWBXEBOYTPW-SJORKVTESA-N 0 3 399.495 0.451 20 0 GCADHN CS(=O)(=O)N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000661355672 1190034941 /nfs/dbraw/zinc/03/49/41/1190034941.db2.gz UTLGKKTWEQAZRL-KRWDZBQOSA-N 0 3 395.529 0.627 20 0 GCADHN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](CO)CN(C)C)cc(C3CC3)nc21 ZINC000647710521 1190041038 /nfs/dbraw/zinc/04/10/38/1190041038.db2.gz DJBPDHQAMPYKIH-LBPRGKRZSA-N 0 3 389.456 0.437 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC3CC(c4cccc(Cl)c4)C3)CCN2C1=O ZINC000595278127 1190069809 /nfs/dbraw/zinc/06/98/09/1190069809.db2.gz DCYWWCGESHOWNZ-AHNOJICISA-N 0 3 390.871 0.473 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC000411034841 1193722560 /nfs/dbraw/zinc/72/25/60/1193722560.db2.gz YEDZAPQAPYVVBM-OAHLLOKOSA-N 0 3 381.521 0.580 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000411024167 1193723303 /nfs/dbraw/zinc/72/33/03/1193723303.db2.gz BIOCDHKYXBPOLR-UHFFFAOYSA-N 0 3 379.505 0.566 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N(C)[C@@H]3CCN(C(C)C)C3)CC2)oc1C ZINC000411028658 1193723771 /nfs/dbraw/zinc/72/37/71/1193723771.db2.gz POAUEBWYIMXGKC-QGZVFWFLSA-N 0 3 391.516 0.877 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2Cc3cccc(F)c3C2)CC1 ZINC000411027281 1193724063 /nfs/dbraw/zinc/72/40/63/1193724063.db2.gz CWUPGPIPPNKESU-UHFFFAOYSA-N 0 3 390.459 0.681 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)CCN2C1=O ZINC000575816302 1193725229 /nfs/dbraw/zinc/72/52/29/1193725229.db2.gz NFMOJQCYMWBPJX-ZKYQVNSYSA-N 0 3 378.379 0.088 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000663914966 1193728310 /nfs/dbraw/zinc/72/83/10/1193728310.db2.gz CIKIYZIKBRAOCQ-JKSUJKDBSA-N 0 3 395.548 0.875 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000473468140 1193733926 /nfs/dbraw/zinc/73/39/26/1193733926.db2.gz CLKHCSRVAQCWNJ-MRXNPFEDSA-N 0 3 384.484 0.953 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000248014984 1193745138 /nfs/dbraw/zinc/74/51/38/1193745138.db2.gz FXRYAWIPCUBSEG-UHFFFAOYSA-N 0 3 382.530 0.741 20 0 GCADHN C[C@@](CNCC(=O)NCC(F)(F)F)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001481937145 1193745707 /nfs/dbraw/zinc/74/57/07/1193745707.db2.gz ZDGKAEJCRBOYBK-QZYPOIMUSA-N 0 3 389.418 0.963 20 0 GCADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000473475103 1193746875 /nfs/dbraw/zinc/74/68/75/1193746875.db2.gz YIWMGOGQBCQSEV-OAHLLOKOSA-N 0 3 390.484 0.862 20 0 GCADHN COC(=O)c1ccccc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000473477343 1193751829 /nfs/dbraw/zinc/75/18/29/1193751829.db2.gz GENPAMRYEFARKS-AWEZNQCLSA-N 0 3 376.457 0.554 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(C)c2C(=O)OC)CC1 ZINC000512764481 1193760417 /nfs/dbraw/zinc/76/04/17/1193760417.db2.gz HEBFSQNFLFNMPB-UHFFFAOYSA-N 0 3 390.484 0.864 20 0 GCADHN CCN(C(=O)CN1CCC(CN2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000051957439 1193772401 /nfs/dbraw/zinc/77/24/01/1193772401.db2.gz SWIZNHTWOJYCKT-QGZVFWFLSA-N 0 3 387.546 0.066 20 0 GCADHN Cn1cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c(-c2ccccc2)n1 ZINC000411563137 1193773212 /nfs/dbraw/zinc/77/32/12/1193773212.db2.gz BFXXDTNEUGEFHM-MRXNPFEDSA-N 0 3 385.468 0.989 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000419263253 1193773811 /nfs/dbraw/zinc/77/38/11/1193773811.db2.gz YDVVQWBSRFKLRK-GXFFZTMASA-N 0 3 393.831 0.672 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C(=O)N1c1cnn(C)c1 ZINC000669330840 1193775497 /nfs/dbraw/zinc/77/54/97/1193775497.db2.gz CEYBSBCOAICGIW-UMVBOHGHSA-N 0 3 390.488 0.019 20 0 GCADHN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512810427 1193779135 /nfs/dbraw/zinc/77/91/35/1193779135.db2.gz ZOYIVUXCYKNZHL-GOSISDBHSA-N 0 3 397.564 0.467 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](CO)CC(F)F)c2)CC1 ZINC000429885165 1193782618 /nfs/dbraw/zinc/78/26/18/1193782618.db2.gz ZGCWRJQVMFLTNB-CQSZACIVSA-N 0 3 384.427 0.899 20 0 GCADHN CCn1nc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1C1CC1 ZINC000473482596 1193783625 /nfs/dbraw/zinc/78/36/25/1193783625.db2.gz RCAGNACNIXWALP-CQSZACIVSA-N 0 3 376.505 0.861 20 0 GCADHN COc1cccc(CC(=O)N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)c1 ZINC000429892486 1193785822 /nfs/dbraw/zinc/78/58/22/1193785822.db2.gz OXELJACETRCQFN-GOSISDBHSA-N 0 3 375.469 0.677 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419283850 1193786436 /nfs/dbraw/zinc/78/64/36/1193786436.db2.gz ZQFOBKKNLNSAMN-FGTMMUONSA-N 0 3 382.464 0.987 20 0 GCADHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NCCNC(=O)c1cnccn1 ZINC000433218015 1193786980 /nfs/dbraw/zinc/78/69/80/1193786980.db2.gz CVAHCSILKUCZEQ-WMZOPIPTSA-N 0 3 397.483 0.936 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000664059128 1193787775 /nfs/dbraw/zinc/78/77/75/1193787775.db2.gz GLXYKTAUYFDWKO-INIZCTEOSA-N 0 3 375.473 0.453 20 0 GCADHN CCOc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000419296229 1193791486 /nfs/dbraw/zinc/79/14/86/1193791486.db2.gz RNEXYWRQAGCLHC-TZMCWYRMSA-N 0 3 379.457 0.939 20 0 GCADHN CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000509836622 1193792705 /nfs/dbraw/zinc/79/27/05/1193792705.db2.gz UINAMDAMLPURHZ-HNNXBMFYSA-N 0 3 389.500 0.356 20 0 GCADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000473486527 1193793667 /nfs/dbraw/zinc/79/36/67/1193793667.db2.gz GSUBJZQGBJJZAF-ZDUSSCGKSA-N 0 3 394.447 0.693 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000473486512 1193793760 /nfs/dbraw/zinc/79/37/60/1193793760.db2.gz GNJBQCMQXBYREE-INIZCTEOSA-N 0 3 399.499 0.407 20 0 GCADHN CCOC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000473486234 1193794041 /nfs/dbraw/zinc/79/40/41/1193794041.db2.gz CMTMZNANANSNOI-OAHLLOKOSA-N 0 3 390.484 0.944 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1nnnn1-c1ccccc1 ZINC000419303197 1193797866 /nfs/dbraw/zinc/79/78/66/1193797866.db2.gz NSWQJLDBYOUIHX-SGMGOOAPSA-N 0 3 387.444 0.069 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CC(O)(C4CC4)C3)cc21 ZINC000412018078 1193800873 /nfs/dbraw/zinc/80/08/73/1193800873.db2.gz ZIPVUOVCFJOZBA-UHFFFAOYSA-N 0 3 388.424 0.078 20 0 GCADHN Cc1noc(C2CCC(NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)n1 ZINC000419309196 1193800878 /nfs/dbraw/zinc/80/08/78/1193800878.db2.gz BSJWTILHPKIZHF-WKIYYKSKSA-N 0 3 379.461 0.750 20 0 GCADHN Cc1noc(C2CCC(NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)n1 ZINC000419309195 1193800989 /nfs/dbraw/zinc/80/09/89/1193800989.db2.gz BSJWTILHPKIZHF-RSUZKEPVSA-N 0 3 379.461 0.750 20 0 GCADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000512936889 1193805777 /nfs/dbraw/zinc/80/57/77/1193805777.db2.gz DYBAYEHIZPQFMZ-UHFFFAOYSA-N 0 3 376.457 0.474 20 0 GCADHN Cn1cncc1[C@H]1C[C@@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CCO1 ZINC000333089291 1193805907 /nfs/dbraw/zinc/80/59/07/1193805907.db2.gz NTIZXGBHWZQXOJ-DOTOQJQBSA-N 0 3 378.521 0.965 20 0 GCADHN Cn1cncc1[C@H]1C[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CCO1 ZINC000333089292 1193806023 /nfs/dbraw/zinc/80/60/23/1193806023.db2.gz NTIZXGBHWZQXOJ-NVXWUHKLSA-N 0 3 378.521 0.965 20 0 GCADHN Cn1cncc1[C@@H]1C[C@@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CCO1 ZINC000333089293 1193806219 /nfs/dbraw/zinc/80/62/19/1193806219.db2.gz NTIZXGBHWZQXOJ-RDJZCZTQSA-N 0 3 378.521 0.965 20 0 GCADHN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419323184 1193813919 /nfs/dbraw/zinc/81/39/19/1193813919.db2.gz UBKZWMYPSWGKCY-RWMBFGLXSA-N 0 3 378.477 0.582 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1cccc(OC(F)(F)F)c1 ZINC000419322569 1193815769 /nfs/dbraw/zinc/81/57/69/1193815769.db2.gz SMVRBDANQMCSDT-GXFFZTMASA-N 0 3 375.347 0.867 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000614335413 1193817373 /nfs/dbraw/zinc/81/73/73/1193817373.db2.gz OOQJFSWQEHVQRT-GFCCVEGCSA-N 0 3 396.469 0.185 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000614341428 1193827856 /nfs/dbraw/zinc/82/78/56/1193827856.db2.gz IUGHIYQBANGSAO-CYBMUJFWSA-N 0 3 379.486 0.784 20 0 GCADHN CCO[C@@H]1C[C@@H](N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)[C@H]1OC ZINC000894145929 1193830946 /nfs/dbraw/zinc/83/09/46/1193830946.db2.gz PTJWPJGDOTYKFW-KJWYOANISA-N 0 3 379.505 0.989 20 0 GCADHN COc1cc(SC)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576293149 1193842975 /nfs/dbraw/zinc/84/29/75/1193842975.db2.gz JQGCFXAYAVJVOE-ZYHUDNBSSA-N 0 3 378.454 0.126 20 0 GCADHN CC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1nnc2n1CCCCC2 ZINC000419355582 1193853117 /nfs/dbraw/zinc/85/31/17/1193853117.db2.gz GHPACFDNNNNOKZ-HZSPNIEDSA-N 0 3 392.504 0.801 20 0 GCADHN O=C(CCN1CCC(NS(=O)(=O)c2ccccc2)CC1)N1CCOCC1 ZINC000052383584 1193853493 /nfs/dbraw/zinc/85/34/93/1193853493.db2.gz CNNXANBQNMNHAP-UHFFFAOYSA-N 0 3 381.498 0.678 20 0 GCADHN Cc1nccn1CCNC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000052364526 1193855757 /nfs/dbraw/zinc/85/57/57/1193855757.db2.gz NGCVBJPLNKJNDE-UHFFFAOYSA-N 0 3 384.484 0.694 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2nnc3ccccn32)CC1 ZINC000171417170 1193857596 /nfs/dbraw/zinc/85/75/96/1193857596.db2.gz HQXVXLBCTWBRST-HNNXBMFYSA-N 0 3 387.488 0.986 20 0 GCADHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000412679500 1193865849 /nfs/dbraw/zinc/86/58/49/1193865849.db2.gz WZOFDWRBTPIEAF-NVXWUHKLSA-N 0 3 386.456 0.030 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CNC[C@@H]3CCCO3)cn2)C[C@H](C)O1 ZINC000429992561 1193869523 /nfs/dbraw/zinc/86/95/23/1193869523.db2.gz QWUQKJIBBODWKZ-LZWOXQAQSA-N 0 3 379.461 0.226 20 0 GCADHN C[C@@H]1NC(=O)CC[C@@H]1NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000333261364 1193880083 /nfs/dbraw/zinc/88/00/83/1193880083.db2.gz FULJBFRFGFSBGB-RDJZCZTQSA-N 0 3 378.517 0.884 20 0 GCADHN Cc1ccnc(-n2nccc2NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000429995232 1193893082 /nfs/dbraw/zinc/89/30/82/1193893082.db2.gz YDVZNFYBKQMSPU-INIZCTEOSA-N 0 3 399.499 0.656 20 0 GCADHN CC1(C)[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C[C@H]1OCc1ccccc1 ZINC000419386256 1193895402 /nfs/dbraw/zinc/89/54/02/1193895402.db2.gz PPDZROMRSLXOOZ-BRWVUGGUSA-N 0 3 375.469 0.591 20 0 GCADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000513145930 1193896422 /nfs/dbraw/zinc/89/64/22/1193896422.db2.gz AFDDTTUIBMFLLO-CQSZACIVSA-N 0 3 390.484 0.720 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000419387299 1193897261 /nfs/dbraw/zinc/89/72/61/1193897261.db2.gz JHFQDEPNYPZEKX-CQDKDKBSSA-N 0 3 385.823 0.530 20 0 GCADHN COc1ccccc1CNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000549923286 1193900646 /nfs/dbraw/zinc/90/06/46/1193900646.db2.gz HIRDWHIJEUZQQZ-GOSISDBHSA-N 0 3 388.512 0.938 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N[C@@H](CN)C2CCCC2)cc1 ZINC000419390386 1193900794 /nfs/dbraw/zinc/90/07/94/1193900794.db2.gz PXCNIKKUTBZXMQ-YOEHRIQHSA-N 0 3 395.525 0.907 20 0 GCADHN CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419390183 1193901684 /nfs/dbraw/zinc/90/16/84/1193901684.db2.gz LVQBUUNWNKFVGA-BZUAXINKSA-N 0 3 392.504 0.609 20 0 GCADHN CCn1c(N)c(C(=O)CN2CCCN(Cc3ccccc3C)CC2)c(=O)[nH]c1=O ZINC000052666731 1193904603 /nfs/dbraw/zinc/90/46/03/1193904603.db2.gz NIZXEZHCRIUNFY-UHFFFAOYSA-N 0 3 399.495 0.838 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000637638924 1193905631 /nfs/dbraw/zinc/90/56/31/1193905631.db2.gz ZIHKMDKPYZGBOO-LLVKDONJSA-N 0 3 379.387 0.043 20 0 GCADHN CN(C)Cc1ccc(CNCC(=O)N2CCN(C)CC2)c2c1OC(F)(F)O2 ZINC000894207241 1193906697 /nfs/dbraw/zinc/90/66/97/1193906697.db2.gz VBWAJAKRJRUDTJ-UHFFFAOYSA-N 0 3 384.427 0.933 20 0 GCADHN CN(C)C(=O)CNC(=S)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000729160786 1193907262 /nfs/dbraw/zinc/90/72/62/1193907262.db2.gz DRGOEETZQBSXRY-UHFFFAOYSA-N 0 3 377.558 0.699 20 0 GCADHN CC(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000052875288 1193913088 /nfs/dbraw/zinc/91/30/88/1193913088.db2.gz TYEUVGRFWUKBHK-UHFFFAOYSA-N 0 3 397.497 0.631 20 0 GCADHN Cn1cnn(CCC(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)c1=O ZINC000614442885 1193914709 /nfs/dbraw/zinc/91/47/09/1193914709.db2.gz JMUBLBPXQIGNKL-MRXNPFEDSA-N 0 3 381.521 0.692 20 0 GCADHN COC(=O)[C@@](C)(O)CNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000614450903 1193915529 /nfs/dbraw/zinc/91/55/29/1193915529.db2.gz USIDAQIDIRBPGX-IBGZPJMESA-N 0 3 387.440 0.217 20 0 GCADHN CC(=O)N[C@@H](CC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1)C(N)=O ZINC000614446085 1193915614 /nfs/dbraw/zinc/91/56/14/1193915614.db2.gz LCPIWIUZLGHUAM-HOTGVXAUSA-N 0 3 384.521 0.086 20 0 GCADHN CN1C(=O)C(=O)N(CC(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)C1=O ZINC000614446133 1193915705 /nfs/dbraw/zinc/91/57/05/1193915705.db2.gz MZBLUCCHENTDGQ-CQSZACIVSA-N 0 3 396.488 0.127 20 0 GCADHN Cc1ccn(C[C@](C)(O)C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c(=O)c1 ZINC000279973651 1193917593 /nfs/dbraw/zinc/91/75/93/1193917593.db2.gz YYHAXZXRVWCKCG-ZWOKBUDYSA-N 0 3 379.501 0.913 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)c1 ZINC000261653558 1193922228 /nfs/dbraw/zinc/92/22/28/1193922228.db2.gz FIEVQALMANMUGH-SFHVURJKSA-N 0 3 395.525 0.890 20 0 GCADHN O=C(CNC[C@H]1CCCO1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000261754437 1193925310 /nfs/dbraw/zinc/92/53/10/1193925310.db2.gz KKCCLGUZKZOFCD-OAHLLOKOSA-N 0 3 383.470 0.415 20 0 GCADHN CN1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000509917692 1193925429 /nfs/dbraw/zinc/92/54/29/1193925429.db2.gz VFZBHTSYYQKSOV-UHFFFAOYSA-N 0 3 398.504 0.296 20 0 GCADHN CCN(CC)CC(=O)N1CCN(Cn2nc(C(F)(F)F)ccc2=O)CC1 ZINC000178887160 1193931265 /nfs/dbraw/zinc/93/12/65/1193931265.db2.gz XBDADSOKIBXAEQ-UHFFFAOYSA-N 0 3 375.395 0.706 20 0 GCADHN COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@@H](N)C2CCOCC2)C1=O ZINC000261945584 1193932491 /nfs/dbraw/zinc/93/24/91/1193932491.db2.gz JRGNGXHDFZNZEN-OLZOCXBDSA-N 0 3 381.454 0.510 20 0 GCADHN Cc1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1N1CCCS1(=O)=O ZINC000262006310 1193935410 /nfs/dbraw/zinc/93/54/10/1193935410.db2.gz DYSKXAMTCZJOBF-INIZCTEOSA-N 0 3 382.486 0.573 20 0 GCADHN COc1ccc(C2(CNC(=O)CNC(=O)[C@@H](N)C(C)C)CCOCC2)cc1 ZINC000262017773 1193936010 /nfs/dbraw/zinc/93/60/10/1193936010.db2.gz FXYXVQYLFASGPT-SFHVURJKSA-N 0 3 377.485 0.959 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000262063406 1193937732 /nfs/dbraw/zinc/93/77/32/1193937732.db2.gz JIISGYUOCKHUJO-WBVHZDCISA-N 0 3 376.457 0.520 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000262089940 1193938627 /nfs/dbraw/zinc/93/86/27/1193938627.db2.gz LJWAICQWOLNSCP-SFHVURJKSA-N 0 3 392.525 0.843 20 0 GCADHN N[C@@H](C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCOCC1 ZINC000262091871 1193938742 /nfs/dbraw/zinc/93/87/42/1193938742.db2.gz UOJAFPUAGDHENU-GOSISDBHSA-N 0 3 394.903 0.859 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N(CCN(C)C)Cc2ccccn2)nn1 ZINC000433706432 1193939211 /nfs/dbraw/zinc/93/92/11/1193939211.db2.gz GGZDTNVCCNRDCZ-UHFFFAOYSA-N 0 3 375.433 0.120 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000262113644 1193939582 /nfs/dbraw/zinc/93/95/82/1193939582.db2.gz MUOFLMDESQJACT-KRWDZBQOSA-N 0 3 375.473 0.899 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000262233568 1193942663 /nfs/dbraw/zinc/94/26/63/1193942663.db2.gz VOCIJLOWOOSDQR-BBRMVZONSA-N 0 3 388.390 0.622 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000262271759 1193943489 /nfs/dbraw/zinc/94/34/89/1193943489.db2.gz YMYKRIGKNMMLSS-INIZCTEOSA-N 0 3 380.876 0.724 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000262279276 1193943879 /nfs/dbraw/zinc/94/38/79/1193943879.db2.gz ZBQKEQUOSNVRCH-SFHVURJKSA-N 0 3 389.500 0.482 20 0 GCADHN O=C(CCNC(=O)c1n[nH]c2ccccc21)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000262552857 1193950954 /nfs/dbraw/zinc/95/09/54/1193950954.db2.gz VLVXDMFUVULWKR-AWEZNQCLSA-N 0 3 398.467 0.106 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CSc1nnnn1C1CC1 ZINC000513437273 1193951497 /nfs/dbraw/zinc/95/14/97/1193951497.db2.gz BLPQEOQOKCQRMW-CYBMUJFWSA-N 0 3 381.506 0.159 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000513439839 1193951937 /nfs/dbraw/zinc/95/19/37/1193951937.db2.gz PEWLWFZLWAPTNE-OWCLPIDISA-N 0 3 392.500 0.221 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cn1ncc(=O)c2ccccc21 ZINC000513440660 1193952313 /nfs/dbraw/zinc/95/23/13/1193952313.db2.gz SOXSCOWXRWIOTD-KRWDZBQOSA-N 0 3 385.468 0.455 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000433860714 1193954532 /nfs/dbraw/zinc/95/45/32/1193954532.db2.gz VDJQTEVSRJXXRU-MRXNPFEDSA-N 0 3 377.470 0.566 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2c(C)nn(COC)c2C)CC1 ZINC000433877530 1193956096 /nfs/dbraw/zinc/95/60/96/1193956096.db2.gz CHKAOCYEPPYNLH-CQSZACIVSA-N 0 3 387.550 0.656 20 0 GCADHN COc1cccc(C[C@@H](NC(C)=O)C(=O)N[C@H](CO)CN2CCCCC2)c1 ZINC000413820950 1193956797 /nfs/dbraw/zinc/95/67/97/1193956797.db2.gz RDSNTKBIAMBBBQ-PKOBYXMFSA-N 0 3 377.485 0.705 20 0 GCADHN C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000664205969 1193959173 /nfs/dbraw/zinc/95/91/73/1193959173.db2.gz HZZFRDXXMNSRLS-BVBHFADKSA-N 0 3 376.501 0.592 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCOCC(F)(F)C(F)F)CC1 ZINC000433947322 1193961981 /nfs/dbraw/zinc/96/19/81/1193961981.db2.gz CJTZVRFQDQVBQR-UHFFFAOYSA-N 0 3 398.401 0.853 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000263116381 1193962292 /nfs/dbraw/zinc/96/22/92/1193962292.db2.gz FZFQPWNWOUNIPG-KSSFIOAISA-N 0 3 389.500 0.830 20 0 GCADHN COC[C@@H](CNC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1)OC ZINC000513568670 1193962813 /nfs/dbraw/zinc/96/28/13/1193962813.db2.gz WAAQZUFUDIZBLA-OAHLLOKOSA-N 0 3 380.445 0.271 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCOc1cccc(C(N)=O)c1 ZINC000433957563 1193963401 /nfs/dbraw/zinc/96/34/01/1193963401.db2.gz JWYBXCYODLZJGI-KRWDZBQOSA-N 0 3 390.484 0.613 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000513587136 1193964531 /nfs/dbraw/zinc/96/45/31/1193964531.db2.gz VCGHRHXBHDFRMT-BBWFWOEESA-N 0 3 380.533 0.402 20 0 GCADHN CN(C)Cc1ccccc1CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000280054024 1193974864 /nfs/dbraw/zinc/97/48/64/1193974864.db2.gz TWYLZBVOBZYLPH-RBUKOAKNSA-N 0 3 385.468 0.696 20 0 GCADHN C[C@@H](CNCCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268704768 1193975660 /nfs/dbraw/zinc/97/56/60/1193975660.db2.gz RBPUZNHEVKGGLE-ABFRBSLYSA-N 0 3 381.498 0.627 20 0 GCADHN CC(C)Oc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1C(N)=O ZINC000280217591 1193980270 /nfs/dbraw/zinc/98/02/70/1193980270.db2.gz YCULGWJVCZYUNB-ZDUSSCGKSA-N 0 3 376.457 0.921 20 0 GCADHN CN(C)C1(C(=O)N2CC[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CCC1 ZINC000982869996 1193983279 /nfs/dbraw/zinc/98/32/79/1193983279.db2.gz FONDSZPRVCLFLY-LTIDMASMSA-N 0 3 379.501 0.487 20 0 GCADHN NC(=O)[C@H]1CC[C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)O1 ZINC000280329369 1193987769 /nfs/dbraw/zinc/98/77/69/1193987769.db2.gz ZTUSLSVPAUYVGA-IAGOWNOFSA-N 0 3 379.432 0.818 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)NCCN(C)CCCOC)c(C)c1 ZINC000280379834 1193990963 /nfs/dbraw/zinc/99/09/63/1193990963.db2.gz PKEBQWDLTFLQCU-UHFFFAOYSA-N 0 3 394.472 0.143 20 0 GCADHN CCc1ccc(-c2noc([C@H](C)NC(=O)C(=O)NC[C@H]3CNCCO3)n2)cc1 ZINC000419408787 1194021926 /nfs/dbraw/zinc/02/19/26/1194021926.db2.gz DCVBAVNYEDJBOK-SWLSCSKDSA-N 0 3 387.440 0.581 20 0 GCADHN NCC(F)(F)CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000419418538 1194022324 /nfs/dbraw/zinc/02/23/24/1194022324.db2.gz LGYXVNSJJBZVOL-UHFFFAOYSA-N 0 3 397.470 0.021 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)N[C@@H](C)CN2CCOCC2)cc1 ZINC000419427926 1194027237 /nfs/dbraw/zinc/02/72/37/1194027237.db2.gz HTHGQURWZSQRKZ-MAUKXSAKSA-N 0 3 376.501 0.763 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)N[C@@H](C)CN2CCOCC2)cc1 ZINC000419427928 1194027382 /nfs/dbraw/zinc/02/73/82/1194027382.db2.gz HTHGQURWZSQRKZ-YJBOKZPZSA-N 0 3 376.501 0.763 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000419411960 1194030359 /nfs/dbraw/zinc/03/03/59/1194030359.db2.gz CKFARYBUIJTRRC-GWCFXTLKSA-N 0 3 397.859 0.957 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000419411972 1194030792 /nfs/dbraw/zinc/03/07/92/1194030792.db2.gz CKFARYBUIJTRRC-ZWNOBZJWSA-N 0 3 397.859 0.957 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000419416461 1194032451 /nfs/dbraw/zinc/03/24/51/1194032451.db2.gz WFTJOXUFIXNAMU-GZBFAFLISA-N 0 3 380.489 0.265 20 0 GCADHN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419437108 1194034368 /nfs/dbraw/zinc/03/43/68/1194034368.db2.gz FCNPFMCCTMTZNQ-GDBMZVCRSA-N 0 3 394.903 0.696 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCCCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000419445107 1194035851 /nfs/dbraw/zinc/03/58/51/1194035851.db2.gz DIPJCEOFVSKLGT-INIZCTEOSA-N 0 3 396.447 0.735 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)c(C(F)(F)F)c1 ZINC000419448723 1194036223 /nfs/dbraw/zinc/03/62/23/1194036223.db2.gz WUAWTITVWNRALU-GFCCVEGCSA-N 0 3 375.347 0.435 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCCNCC1)c1ccccc1OCC(=O)N(C)C ZINC000419483872 1194041298 /nfs/dbraw/zinc/04/12/98/1194041298.db2.gz VOYKSXXZOHRHKQ-INIZCTEOSA-N 0 3 390.484 0.543 20 0 GCADHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419497492 1194045462 /nfs/dbraw/zinc/04/54/62/1194045462.db2.gz NDJFLPRXZHMKPZ-JFIYKMOQSA-N 0 3 375.469 0.906 20 0 GCADHN COCCOc1ccc([C@@H](C)NC(=O)C(=O)N2CCCNCC2)cc1OC ZINC000419520545 1194053289 /nfs/dbraw/zinc/05/32/89/1194053289.db2.gz MPJHTDCWJWLPTF-CQSZACIVSA-N 0 3 379.457 0.720 20 0 GCADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419522061 1194053750 /nfs/dbraw/zinc/05/37/50/1194053750.db2.gz PBIGHFXBYHJDGB-PVAVHDDUSA-N 0 3 392.504 0.612 20 0 GCADHN NC(=O)C1(NC(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000501082353 1194053950 /nfs/dbraw/zinc/05/39/50/1194053950.db2.gz ZYTHVCKGFHFUAJ-OAHLLOKOSA-N 0 3 396.451 0.403 20 0 GCADHN CS(=O)(=O)C1(CNC(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000419574949 1194058514 /nfs/dbraw/zinc/05/85/14/1194058514.db2.gz SWZQVZZNGJHCSH-INIZCTEOSA-N 0 3 389.477 0.649 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccnc1OCC(F)F ZINC000419604464 1194064933 /nfs/dbraw/zinc/06/49/33/1194064933.db2.gz ZORKENMXBHMHGZ-ZYHUDNBSSA-N 0 3 386.399 0.571 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1nc(C2CC2)no1 ZINC000419591348 1194066998 /nfs/dbraw/zinc/06/69/98/1194066998.db2.gz UAXQQIJXLSCIAB-RTXFEEFZSA-N 0 3 379.461 0.990 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(CC(F)F)C2)CC1 ZINC000419627150 1194071498 /nfs/dbraw/zinc/07/14/98/1194071498.db2.gz INDHHRTXLTXKNS-CQSZACIVSA-N 0 3 375.464 0.521 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)n[nH]1 ZINC000419632346 1194072837 /nfs/dbraw/zinc/07/28/37/1194072837.db2.gz OIFPLGMUWQZEKC-OCCSQVGLSA-N 0 3 378.477 0.032 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000419655406 1194074039 /nfs/dbraw/zinc/07/40/39/1194074039.db2.gz SVEYCGDOORYUAL-QJPTWQEYSA-N 0 3 380.411 0.216 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)cc1 ZINC000419655957 1194074246 /nfs/dbraw/zinc/07/42/46/1194074246.db2.gz WYRQXXHXZOUMOG-OAHLLOKOSA-N 0 3 386.456 0.195 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000419647868 1194076229 /nfs/dbraw/zinc/07/62/29/1194076229.db2.gz RUVXNCDSJPQHCR-PBHICJAKSA-N 0 3 385.468 0.777 20 0 GCADHN COCCSc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419667119 1194078336 /nfs/dbraw/zinc/07/83/36/1194078336.db2.gz WWEINOSKEOXWQO-HIFRSBDPSA-N 0 3 381.498 0.707 20 0 GCADHN N[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)C[C@H]1c1ccccc1F ZINC000419682369 1194081211 /nfs/dbraw/zinc/08/12/11/1194081211.db2.gz SPTAYFXJOVPQAK-IVMMDQJWSA-N 0 3 397.472 0.162 20 0 GCADHN COc1ccccc1SC[C@H](C)CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419681656 1194081367 /nfs/dbraw/zinc/08/13/67/1194081367.db2.gz IROCPGOQFANCGI-KGLIPLIRSA-N 0 3 381.498 0.644 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000419704413 1194082976 /nfs/dbraw/zinc/08/29/76/1194082976.db2.gz GKJFSPXWNIRUED-YPMHNXCESA-N 0 3 394.438 0.606 20 0 GCADHN O=C(NCC[NH2+]C1CCCCCC1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000419708603 1194083422 /nfs/dbraw/zinc/08/34/22/1194083422.db2.gz LYDCIVHBDXTQTD-UHFFFAOYSA-N 0 3 376.383 0.868 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccncc1OCC(F)F ZINC000419710331 1194086289 /nfs/dbraw/zinc/08/62/89/1194086289.db2.gz NYCRHNDBQUPVBU-ZYHUDNBSSA-N 0 3 386.399 0.571 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CCc2ccccc2C1=O ZINC000419733730 1194089854 /nfs/dbraw/zinc/08/98/54/1194089854.db2.gz OMTASWMPPAFJIK-XJKSGUPXSA-N 0 3 388.468 0.030 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CCc2ccccc2C1=O ZINC000419733725 1194090034 /nfs/dbraw/zinc/09/00/34/1194090034.db2.gz OMTASWMPPAFJIK-CZUORRHYSA-N 0 3 388.468 0.030 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCOc3cccc(F)c3)C2)nn1 ZINC000419742387 1194094745 /nfs/dbraw/zinc/09/47/45/1194094745.db2.gz NNJKQCGJPAEKPB-OAHLLOKOSA-N 0 3 390.419 0.235 20 0 GCADHN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419753010 1194097462 /nfs/dbraw/zinc/09/74/62/1194097462.db2.gz XSDOQSSLDPHNNF-ZACQAIPSSA-N 0 3 392.504 0.610 20 0 GCADHN CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C(=O)N[C@@H](CN)C2CC2)cc1 ZINC000419759656 1194099024 /nfs/dbraw/zinc/09/90/24/1194099024.db2.gz YCAXAXROGWGUIM-INIZCTEOSA-N 0 3 395.525 0.728 20 0 GCADHN COc1cc(C(=O)NCC(=O)N2CCN(C)CC[C@H]2C)cc(OC)c1OC ZINC000501283402 1194100431 /nfs/dbraw/zinc/10/04/31/1194100431.db2.gz NEDWPOPJGUKXFU-CYBMUJFWSA-N 0 3 379.457 0.995 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1S(C)(=O)=O ZINC000419772756 1194102828 /nfs/dbraw/zinc/10/28/28/1194102828.db2.gz ITAVRGAHWWOCOF-OCCSQVGLSA-N 0 3 397.497 0.244 20 0 GCADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(N(C)C)CC2)c1 ZINC000419797694 1194105668 /nfs/dbraw/zinc/10/56/68/1194105668.db2.gz UYIIMGCDMGLMBV-CYBMUJFWSA-N 0 3 396.513 0.912 20 0 GCADHN Cc1c(NC(=O)C(=O)NCC2(N(C)C)CC2)cccc1S(=O)(=O)NC1CC1 ZINC000419798593 1194105919 /nfs/dbraw/zinc/10/59/19/1194105919.db2.gz XUDCKAWXYRESSL-UHFFFAOYSA-N 0 3 394.497 0.585 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000419812303 1194112689 /nfs/dbraw/zinc/11/26/89/1194112689.db2.gz ZIYPPYWWGMBCLP-WBMJQRKESA-N 0 3 388.468 0.424 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)CCN1 ZINC000419829270 1194115129 /nfs/dbraw/zinc/11/51/29/1194115129.db2.gz SRZXCPDWBFXDRN-ZACQAIPSSA-N 0 3 388.512 0.732 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)CCN1 ZINC000419829261 1194115583 /nfs/dbraw/zinc/11/55/83/1194115583.db2.gz SRZXCPDWBFXDRN-BRWVUGGUSA-N 0 3 388.512 0.732 20 0 GCADHN COc1cc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)ccc1OC1CCCC1 ZINC000419833294 1194116523 /nfs/dbraw/zinc/11/65/23/1194116523.db2.gz WERLOMHJHQOZFO-INIZCTEOSA-N 0 3 391.468 0.737 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419873748 1194129055 /nfs/dbraw/zinc/12/90/55/1194129055.db2.gz DLOBRMYYUJOXAC-GOEBONIOSA-N 0 3 388.468 0.181 20 0 GCADHN CC[NH2+]CCNC(=O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000419896275 1194135778 /nfs/dbraw/zinc/13/57/78/1194135778.db2.gz UKAPSQBBCCRWGT-UHFFFAOYSA-N 0 3 396.875 0.948 20 0 GCADHN CCOc1ccc(NC(=O)CNC(=O)C(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000419919383 1194138688 /nfs/dbraw/zinc/13/86/88/1194138688.db2.gz VMOOJOFKHSBYNX-KRWDZBQOSA-N 0 3 384.436 0.956 20 0 GCADHN CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)NC[C@@H](N)c2ccccc2)no1 ZINC000419924276 1194139956 /nfs/dbraw/zinc/13/99/56/1194139956.db2.gz HEOILKILZITUGU-CABCVRRESA-N 0 3 387.440 0.909 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1)c1ccccc1 ZINC000419928589 1194140333 /nfs/dbraw/zinc/14/03/33/1194140333.db2.gz LGOIGCOHLBMQFF-MSOLQXFVSA-N 0 3 380.448 0.892 20 0 GCADHN CC(C)CN1C[C@@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CCN2C1=O ZINC000419929576 1194140412 /nfs/dbraw/zinc/14/04/12/1194140412.db2.gz MQSQJYAKZHJMJD-IRXDYDNUSA-N 0 3 387.484 0.407 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H](N)c2ccccc2)C[C@H](C)O1 ZINC000419935792 1194145500 /nfs/dbraw/zinc/14/55/00/1194145500.db2.gz SSIDTNZWRFSRDJ-OGWHTMIXSA-N 0 3 388.512 0.903 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000419940688 1194145987 /nfs/dbraw/zinc/14/59/87/1194145987.db2.gz ZZJGEICHKXYMCE-INIZCTEOSA-N 0 3 381.436 0.182 20 0 GCADHN COc1ccc2c(c1OC)CCN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C2 ZINC000420022851 1194158181 /nfs/dbraw/zinc/15/81/81/1194158181.db2.gz ABJYUXCQTKKJIP-SWLSCSKDSA-N 0 3 391.468 0.818 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000420023279 1194158284 /nfs/dbraw/zinc/15/82/84/1194158284.db2.gz AMPCCELHPSAPCN-JSGCOSHPSA-N 0 3 379.436 0.099 20 0 GCADHN Cc1cccc(CN2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)c1 ZINC000420023998 1194158821 /nfs/dbraw/zinc/15/88/21/1194158821.db2.gz BARYMVNMNZLXJT-FUHWJXTLSA-N 0 3 388.512 0.868 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000420025927 1194158870 /nfs/dbraw/zinc/15/88/70/1194158870.db2.gz BURZNUDDBXCWRT-KBPBESRZSA-N 0 3 376.457 0.270 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000420026406 1194159040 /nfs/dbraw/zinc/15/90/40/1194159040.db2.gz BTJPPRGRYPHECF-XOPPTJLZSA-N 0 3 397.422 0.828 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000420024729 1194159050 /nfs/dbraw/zinc/15/90/50/1194159050.db2.gz BJZYATGISOOYDD-SPGJAERMSA-N 0 3 397.422 0.828 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000420027146 1194159412 /nfs/dbraw/zinc/15/94/12/1194159412.db2.gz CEDIXQSDWUYCKQ-UKRRQHHQSA-N 0 3 398.467 0.517 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000420029994 1194160368 /nfs/dbraw/zinc/16/03/68/1194160368.db2.gz GCLIUZNPKTUHOV-CZUORRHYSA-N 0 3 398.467 0.558 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000420031043 1194160462 /nfs/dbraw/zinc/16/04/62/1194160462.db2.gz GXCVUFUXTUWITI-GJZGRUSLSA-N 0 3 384.521 0.032 20 0 GCADHN CCCCN(C)C(=O)C1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420032745 1194160876 /nfs/dbraw/zinc/16/08/76/1194160876.db2.gz ICDZODZQFCDXPV-ZBFHGGJFSA-N 0 3 396.532 0.713 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000420032348 1194160958 /nfs/dbraw/zinc/16/09/58/1194160958.db2.gz HWIHTEOVRLKCNR-ZNMIVQPWSA-N 0 3 377.489 0.430 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCCN(Cc2cscn2)CC1 ZINC000420035380 1194161435 /nfs/dbraw/zinc/16/14/35/1194161435.db2.gz KFLZSWGVWFURBX-HIFRSBDPSA-N 0 3 395.529 0.407 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000420055797 1194163041 /nfs/dbraw/zinc/16/30/41/1194163041.db2.gz IBBALRPVSZIXLK-ZBFHGGJFSA-N 0 3 388.468 0.200 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420055756 1194163211 /nfs/dbraw/zinc/16/32/11/1194163211.db2.gz HZCIKTWKBZAVJM-CKFHNAJUSA-N 0 3 399.488 0.034 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000420037160 1194165030 /nfs/dbraw/zinc/16/50/30/1194165030.db2.gz LUKLMDRQCGMGLJ-IUODEOHRSA-N 0 3 394.447 0.820 20 0 GCADHN CCc1ccc([C@@H]2COCCN2C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)o1 ZINC000420037180 1194165144 /nfs/dbraw/zinc/16/51/44/1194165144.db2.gz LWKCVUMHLYXYRQ-QEJZJMRPSA-N 0 3 379.457 0.971 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000420038320 1194165759 /nfs/dbraw/zinc/16/57/59/1194165759.db2.gz MXRMZLQRIRMDPK-GHMZBOCLSA-N 0 3 398.401 0.260 20 0 GCADHN COCCCN(Cc1ccncc1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420038923 1194165998 /nfs/dbraw/zinc/16/59/98/1194165998.db2.gz NJLHBSKEGTWKNY-GOEBONIOSA-N 0 3 378.473 0.676 20 0 GCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c(OC)c1 ZINC000420038934 1194166167 /nfs/dbraw/zinc/16/61/67/1194166167.db2.gz NJVKOWQTGOHWHB-DOMZBBRYSA-N 0 3 379.457 0.891 20 0 GCADHN Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)c1 ZINC000420039803 1194166234 /nfs/dbraw/zinc/16/62/34/1194166234.db2.gz OEPUMTYVOCQKMS-ZBFHGGJFSA-N 0 3 390.484 0.989 20 0 GCADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420044190 1194167466 /nfs/dbraw/zinc/16/74/66/1194167466.db2.gz SRVJHVNBZZHGAB-ILXRZTDVSA-N 0 3 382.505 0.226 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000420044518 1194167522 /nfs/dbraw/zinc/16/75/22/1194167522.db2.gz TZRSAPIRVMJXOB-SOLBZPMBSA-N 0 3 388.512 0.949 20 0 GCADHN CCOC(=O)C1(COC)CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420043645 1194167659 /nfs/dbraw/zinc/16/76/59/1194167659.db2.gz SCUJPKUWHQCWIU-KBPBESRZSA-N 0 3 399.488 0.034 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000420045496 1194168215 /nfs/dbraw/zinc/16/82/15/1194168215.db2.gz USIPETOMPBKHAK-GUTXKFCHSA-N 0 3 394.447 0.820 20 0 GCADHN COc1cc2c(cc1OC)CN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)CC2 ZINC000420044806 1194168290 /nfs/dbraw/zinc/16/82/90/1194168290.db2.gz UFADIEAGPRNPFF-IUODEOHRSA-N 0 3 391.468 0.818 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1)c1ccc2ccccc2c1 ZINC000420046529 1194168851 /nfs/dbraw/zinc/16/88/51/1194168851.db2.gz AUBNCRVFLSLQSJ-DLBZAZTESA-N 0 3 381.436 0.192 20 0 GCADHN CCn1nccc1C1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420046658 1194168913 /nfs/dbraw/zinc/16/89/13/1194168913.db2.gz VRRMKYYRBGUPEY-DZGCQCFKSA-N 0 3 377.489 0.838 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000420047927 1194169041 /nfs/dbraw/zinc/16/90/41/1194169041.db2.gz WOFSFHKAVSLKPI-SWLSCSKDSA-N 0 3 392.431 0.230 20 0 GCADHN COCC1(O)CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420049632 1194169703 /nfs/dbraw/zinc/16/97/03/1194169703.db2.gz GNPQNOAGEVNUJV-SFHVURJKSA-N 0 3 385.464 0.956 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000420055167 1194170658 /nfs/dbraw/zinc/17/06/58/1194170658.db2.gz HQMDVRGUYFNVLU-SJLPKXTDSA-N 0 3 388.512 0.950 20 0 GCADHN CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)no1 ZINC000420054142 1194170875 /nfs/dbraw/zinc/17/08/75/1194170875.db2.gz GXTVHWYFZLXVNT-UPJWGTAASA-N 0 3 395.460 0.322 20 0 GCADHN CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)no1 ZINC000420054140 1194170912 /nfs/dbraw/zinc/17/09/12/1194170912.db2.gz GXTVHWYFZLXVNT-AGIUHOORSA-N 0 3 395.460 0.322 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)c1ccc2ccccc2c1 ZINC000420070412 1194172169 /nfs/dbraw/zinc/17/21/69/1194172169.db2.gz BZAOFSRFHXIODR-BZSNNMDCSA-N 0 3 396.447 0.072 20 0 GCADHN CNC(=O)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000420073749 1194172541 /nfs/dbraw/zinc/17/25/41/1194172541.db2.gz YOHVPFVUYLSJQN-SWLSCSKDSA-N 0 3 376.457 0.234 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000420073278 1194172677 /nfs/dbraw/zinc/17/26/77/1194172677.db2.gz YEKKAFHWLMSMBZ-MELADBBJSA-N 0 3 377.441 0.514 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000420073181 1194172703 /nfs/dbraw/zinc/17/27/03/1194172703.db2.gz XYZHZWNKIQNRSH-QWHCGFSZSA-N 0 3 394.497 0.262 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000420074834 1194173214 /nfs/dbraw/zinc/17/32/14/1194173214.db2.gz ZYFPCQBLRPZDGY-AEFFLSMTSA-N 0 3 388.512 0.603 20 0 GCADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000420082647 1194174401 /nfs/dbraw/zinc/17/44/01/1194174401.db2.gz VFHUNGNMLMGPNW-IAGOWNOFSA-N 0 3 383.452 0.486 20 0 GCADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000420082645 1194174560 /nfs/dbraw/zinc/17/45/60/1194174560.db2.gz VFHUNGNMLMGPNW-DLBZAZTESA-N 0 3 383.452 0.486 20 0 GCADHN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000420066256 1194176435 /nfs/dbraw/zinc/17/64/35/1194176435.db2.gz WILGEAQNENTATR-ZOCIIQOWSA-N 0 3 385.464 0.954 20 0 GCADHN C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000420118030 1194186492 /nfs/dbraw/zinc/18/64/92/1194186492.db2.gz IDFLJVUEXGVNGU-NSHDSACASA-N 0 3 396.875 0.947 20 0 GCADHN COC(=O)c1cnc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000501557499 1194193398 /nfs/dbraw/zinc/19/33/98/1194193398.db2.gz UXNADZGXMTZARZ-HOTGVXAUSA-N 0 3 384.436 0.876 20 0 GCADHN Cc1ccc(-n2cnc3c2CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C3)cc1 ZINC000420198567 1194202311 /nfs/dbraw/zinc/20/23/11/1194202311.db2.gz LBZGPVODGBAUBD-MRXNPFEDSA-N 0 3 383.452 0.170 20 0 GCADHN COc1cc(CN(C)C(=O)C(=O)NC[C@H]2CNCCO2)c(SC)cc1OC ZINC000420199041 1194202880 /nfs/dbraw/zinc/20/28/80/1194202880.db2.gz NAPHGZMOEWNZKZ-CYBMUJFWSA-N 0 3 397.497 0.489 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000420199002 1194203206 /nfs/dbraw/zinc/20/32/06/1194203206.db2.gz MYUKJNGGQBOCEN-GJZGRUSLSA-N 0 3 375.425 0.226 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000420203038 1194204054 /nfs/dbraw/zinc/20/40/54/1194204054.db2.gz PZPRVVXRHSVZDA-DOMZBBRYSA-N 0 3 391.859 0.984 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000420206172 1194205283 /nfs/dbraw/zinc/20/52/83/1194205283.db2.gz SLFSDLMRMWZVPV-JSGCOSHPSA-N 0 3 390.415 0.778 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000420206168 1194205359 /nfs/dbraw/zinc/20/53/59/1194205359.db2.gz SLFSDLMRMWZVPV-GXTWGEPZSA-N 0 3 390.415 0.778 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(CCCO)[C@H]1CCCc2ccccc21 ZINC000420187244 1194205977 /nfs/dbraw/zinc/20/59/77/1194205977.db2.gz BLELYDSAGMVODD-WMZOPIPTSA-N 0 3 375.469 0.380 20 0 GCADHN COc1ccc([C@H]2CCCN2C(=O)C(=O)NC[C@@H]2CNCCO2)c(OC)c1 ZINC000420191476 1194207227 /nfs/dbraw/zinc/20/72/27/1194207227.db2.gz HGXMHQXCZAUFGK-GOEBONIOSA-N 0 3 377.441 0.472 20 0 GCADHN CCc1nc2ccccc2n1C1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420191472 1194207263 /nfs/dbraw/zinc/20/72/63/1194207263.db2.gz HGGWOTKZSPQJRN-MRXNPFEDSA-N 0 3 399.495 0.867 20 0 GCADHN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000420193075 1194208161 /nfs/dbraw/zinc/20/81/61/1194208161.db2.gz CKGXPVLQYITLFR-MOPGFXCFSA-N 0 3 389.496 0.650 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000420209856 1194212435 /nfs/dbraw/zinc/21/24/35/1194212435.db2.gz VUACZCNXKAWRBO-RYUDHWBXSA-N 0 3 389.378 0.170 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000420210975 1194212868 /nfs/dbraw/zinc/21/28/68/1194212868.db2.gz WRPORNVUOKNUGF-DZGCQCFKSA-N 0 3 375.425 0.226 20 0 GCADHN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420211855 1194213511 /nfs/dbraw/zinc/21/35/11/1194213511.db2.gz XJAVJLKMFMKXGO-CQSZACIVSA-N 0 3 389.374 0.647 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000420213682 1194213633 /nfs/dbraw/zinc/21/36/33/1194213633.db2.gz YXUDUZVGAKFYFR-HUUCEWRRSA-N 0 3 399.394 0.293 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000420214579 1194213822 /nfs/dbraw/zinc/21/38/22/1194213822.db2.gz ZLZCHZJNYNNHBX-SJORKVTESA-N 0 3 379.432 0.438 20 0 GCADHN NCc1cn([C@H]2CCCN(CC(=O)NCCOc3cccc(F)c3)C2)nn1 ZINC000420386545 1194225959 /nfs/dbraw/zinc/22/59/59/1194225959.db2.gz UYRVIDQYVNZIPF-INIZCTEOSA-N 0 3 376.436 0.708 20 0 GCADHN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](n3cc(CN)nn3)C1)OCO2 ZINC000420485039 1194231805 /nfs/dbraw/zinc/23/18/05/1194231805.db2.gz ZADBOKHBBSADRH-ZDUSSCGKSA-N 0 3 379.442 0.800 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@@H]1CCN(C2CC2)C1 ZINC000501849166 1194233311 /nfs/dbraw/zinc/23/33/11/1194233311.db2.gz XARDAXDDVWZXLR-CYBMUJFWSA-N 0 3 399.538 0.664 20 0 GCADHN C[C@H](O)CN1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)[C@@H](C)C1 ZINC000501945793 1194249510 /nfs/dbraw/zinc/24/95/10/1194249510.db2.gz JVPQMSBORSMJNS-ZOBUZTSGSA-N 0 3 376.457 0.251 20 0 GCADHN C[C@H](O)CN1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)[C@@H](C)C1 ZINC000501945791 1194249658 /nfs/dbraw/zinc/24/96/58/1194249658.db2.gz JVPQMSBORSMJNS-YQQAZPJKSA-N 0 3 376.457 0.251 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000420771570 1194261595 /nfs/dbraw/zinc/26/15/95/1194261595.db2.gz SEEXNFSLWFACKU-QGZVFWFLSA-N 0 3 380.533 0.690 20 0 GCADHN COC1([C@@H](C)NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCOCC1 ZINC000420835484 1194266801 /nfs/dbraw/zinc/26/68/01/1194266801.db2.gz INZACMAGPTZEEP-AEFFLSMTSA-N 0 3 391.512 0.976 20 0 GCADHN COC(=O)C(C)(C)N1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000430043773 1194267331 /nfs/dbraw/zinc/26/73/31/1194267331.db2.gz BEXFXZBOCANQLF-MRXNPFEDSA-N 0 3 383.537 0.149 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1)c1ccccc1 ZINC000420857920 1194269479 /nfs/dbraw/zinc/26/94/79/1194269479.db2.gz IBHMDSWRWUFKSB-NXHRZFHOSA-N 0 3 377.485 0.794 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420918746 1194275008 /nfs/dbraw/zinc/27/50/08/1194275008.db2.gz XOBKAIPQXVDZEE-SFHVURJKSA-N 0 3 382.530 0.524 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420913949 1194276326 /nfs/dbraw/zinc/27/63/26/1194276326.db2.gz JIYYRWIYHLDXFO-SFHVURJKSA-N 0 3 382.530 0.524 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(CCC(N)=O)CC1 ZINC000502158590 1194276407 /nfs/dbraw/zinc/27/64/07/1194276407.db2.gz HXQVDQCDQFMCQA-MRXNPFEDSA-N 0 3 381.521 0.616 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@@H](CCO)CC2)CC1 ZINC000421048478 1194288174 /nfs/dbraw/zinc/28/81/74/1194288174.db2.gz ZNOLETVWTWAMRJ-QGZVFWFLSA-N 0 3 382.549 0.530 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)N2CCOCC2)o1 ZINC000421073249 1194291267 /nfs/dbraw/zinc/29/12/67/1194291267.db2.gz VAUAELRQESFMRV-DLBZAZTESA-N 0 3 392.500 0.630 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000421075965 1194292393 /nfs/dbraw/zinc/29/23/93/1194292393.db2.gz BCJLMJJDTYRPQE-GFCCVEGCSA-N 0 3 398.389 0.917 20 0 GCADHN CO[C@@H]1C[C@@H](CO)N(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000502331437 1194297947 /nfs/dbraw/zinc/29/79/47/1194297947.db2.gz JFILHXKZBLBJIN-GOEBONIOSA-N 0 3 392.456 0.101 20 0 GCADHN CCn1nnc(C)c1CNC[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CC1 ZINC001269096430 1194299376 /nfs/dbraw/zinc/29/93/76/1194299376.db2.gz YTLWIRWDKJMUEG-LISAXSMJSA-N 0 3 377.489 0.642 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000421168041 1194300728 /nfs/dbraw/zinc/30/07/28/1194300728.db2.gz MBABQZYKCNCINP-KRWDZBQOSA-N 0 3 388.516 0.002 20 0 GCADHN CCOC(=O)Cn1cc(CNC[C@@H]2CN(C)CCN2C)c(-c2cnn(C)c2)n1 ZINC000894256055 1194310512 /nfs/dbraw/zinc/31/05/12/1194310512.db2.gz NBJIJSMNZITEDF-QGZVFWFLSA-N 0 3 389.504 0.182 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1C ZINC000421305578 1194321571 /nfs/dbraw/zinc/32/15/71/1194321571.db2.gz UXKLZISLSCGGMQ-ZDUSSCGKSA-N 0 3 382.486 0.442 20 0 GCADHN COc1c(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc(Cl)cc1C(N)=O ZINC000421307701 1194321616 /nfs/dbraw/zinc/32/16/16/1194321616.db2.gz XPAOABFLMSHYTC-LLVKDONJSA-N 0 3 382.848 0.939 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000421305147 1194321705 /nfs/dbraw/zinc/32/17/05/1194321705.db2.gz USXFLMGMFALQRD-KRWDZBQOSA-N 0 3 387.484 0.110 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)ccc1C ZINC000421305078 1194321774 /nfs/dbraw/zinc/32/17/74/1194321774.db2.gz UMBHDKCYOLTVKY-CQSZACIVSA-N 0 3 382.486 0.394 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421296074 1194324847 /nfs/dbraw/zinc/32/48/47/1194324847.db2.gz JDIPTCVRBPPPLH-ZDUSSCGKSA-N 0 3 382.486 0.428 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1C(=O)OC ZINC000421298497 1194325808 /nfs/dbraw/zinc/32/58/08/1194325808.db2.gz MTKQYLDYUCSSIF-CYBMUJFWSA-N 0 3 391.424 0.751 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421301795 1194326468 /nfs/dbraw/zinc/32/64/68/1194326468.db2.gz QFDANQJAQOYICV-HNNXBMFYSA-N 0 3 376.457 0.693 20 0 GCADHN CC[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000502588937 1194336008 /nfs/dbraw/zinc/33/60/08/1194336008.db2.gz OMILCOHIKJPHJT-SJORKVTESA-N 0 3 378.517 0.838 20 0 GCADHN CS(=O)(=O)[N-]c1cncc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000502624933 1194340644 /nfs/dbraw/zinc/34/06/44/1194340644.db2.gz FHFLVOOONOWCOK-IAGOWNOFSA-N 0 3 396.513 0.951 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000421523367 1194344186 /nfs/dbraw/zinc/34/41/86/1194344186.db2.gz SWWBKNPQONGCOP-OAHLLOKOSA-N 0 3 393.532 0.860 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000421562516 1194347113 /nfs/dbraw/zinc/34/71/13/1194347113.db2.gz RAZYGQRBGFMBNQ-CQSZACIVSA-N 0 3 381.498 0.697 20 0 GCADHN C[C@@H](Nc1nc(N[C@@H](C)C2(CO)CC2)nc(N2CCOCC2)n1)C1(CO)CC1 ZINC000664271054 1194354872 /nfs/dbraw/zinc/35/48/72/1194354872.db2.gz ICCQCMKDQSXKHU-OKILXGFUSA-N 0 3 392.504 0.854 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000421670694 1194355691 /nfs/dbraw/zinc/35/56/91/1194355691.db2.gz OJFJKHUZLXOKRL-RBUKOAKNSA-N 0 3 388.512 0.729 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000421670695 1194355908 /nfs/dbraw/zinc/35/59/08/1194355908.db2.gz OJFJKHUZLXOKRL-RTBURBONSA-N 0 3 388.512 0.729 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000502841362 1194359975 /nfs/dbraw/zinc/35/99/75/1194359975.db2.gz NCNPDYUNCQLXTI-AAEUAGOBSA-N 0 3 377.836 0.759 20 0 GCADHN C[C@@H](CN(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(=O)OC(C)(C)C ZINC000421726863 1194360642 /nfs/dbraw/zinc/36/06/42/1194360642.db2.gz SJWMVPDGWWGRID-UGSOOPFHSA-N 0 3 387.546 0.976 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000502835764 1194361720 /nfs/dbraw/zinc/36/17/20/1194361720.db2.gz GWUCMWAQNFPBOY-DAXOMENPSA-N 0 3 378.448 0.623 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000502942350 1194369530 /nfs/dbraw/zinc/36/95/30/1194369530.db2.gz VYPMMYAEEWMFSL-HNNXBMFYSA-N 0 3 397.501 0.126 20 0 GCADHN COCCN(C)CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2F)C1=O ZINC000502954445 1194369893 /nfs/dbraw/zinc/36/98/93/1194369893.db2.gz ZBOHQKQQYFYPQL-CQSZACIVSA-N 0 3 398.410 0.864 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)C[C@H](CC)O1 ZINC000422081963 1194381957 /nfs/dbraw/zinc/38/19/57/1194381957.db2.gz DOCZOMKNUXVCNC-OKZBNKHCSA-N 0 3 382.549 0.792 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)C[C@@H](CC)O1 ZINC000422081964 1194382051 /nfs/dbraw/zinc/38/20/51/1194382051.db2.gz DOCZOMKNUXVCNC-RCCFBDPRSA-N 0 3 382.549 0.792 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)[C@@](C)(OC)C2CC2)CC1 ZINC000422083795 1194382257 /nfs/dbraw/zinc/38/22/57/1194382257.db2.gz JHHGPBYOKRCEHV-JXXFODFXSA-N 0 3 382.549 0.696 20 0 GCADHN CN1CCN(CCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000503093302 1194382548 /nfs/dbraw/zinc/38/25/48/1194382548.db2.gz HLXMWHDTZPQDJC-UHFFFAOYSA-N 0 3 394.541 0.838 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)c(C)o1 ZINC000422106649 1194389239 /nfs/dbraw/zinc/38/92/39/1194389239.db2.gz RTKZBJDSCQGMOK-INIZCTEOSA-N 0 3 390.484 0.733 20 0 GCADHN COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422111460 1194392375 /nfs/dbraw/zinc/39/23/75/1194392375.db2.gz DEJJSTVGRLBFFA-MRXNPFEDSA-N 0 3 391.468 0.943 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000422118909 1194394823 /nfs/dbraw/zinc/39/48/23/1194394823.db2.gz RIOQCVASRNRMAV-YWZLYKJASA-N 0 3 396.532 0.461 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000422129931 1194395591 /nfs/dbraw/zinc/39/55/91/1194395591.db2.gz FYPXJNUNTGCOGC-HOTGVXAUSA-N 0 3 380.533 0.940 20 0 GCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000422136448 1194397060 /nfs/dbraw/zinc/39/70/60/1194397060.db2.gz UTYCKOYCAGDXNB-DLBZAZTESA-N 0 3 377.485 0.274 20 0 GCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000422136453 1194397252 /nfs/dbraw/zinc/39/72/52/1194397252.db2.gz UTYCKOYCAGDXNB-IAGOWNOFSA-N 0 3 377.485 0.274 20 0 GCADHN CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422140090 1194398364 /nfs/dbraw/zinc/39/83/64/1194398364.db2.gz OBLWTNHXYPOFGX-ZWKOTPCHSA-N 0 3 377.485 0.575 20 0 GCADHN CN1C(=O)NC2(CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)C1=O ZINC000271708782 1194405319 /nfs/dbraw/zinc/40/53/19/1194405319.db2.gz NYENNXYLYUQIIF-INIZCTEOSA-N 0 3 385.468 0.987 20 0 GCADHN COC(=O)CCN1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000271788643 1194412979 /nfs/dbraw/zinc/41/29/79/1194412979.db2.gz UISGEFBARSWUAG-RDJZCZTQSA-N 0 3 394.468 0.782 20 0 GCADHN C[C@H](NCCN1C(=O)NC(C)(C)C1=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271852407 1194417964 /nfs/dbraw/zinc/41/79/64/1194417964.db2.gz RPZBWELSVSCTSQ-LBPRGKRZSA-N 0 3 382.486 0.918 20 0 GCADHN CS[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C[C@H]1N(C)C ZINC000271859406 1194418286 /nfs/dbraw/zinc/41/82/86/1194418286.db2.gz XLLHQGNMROTECQ-SPYBWZPUSA-N 0 3 390.509 0.958 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccnc2Cl)CC1 ZINC000271886770 1194421326 /nfs/dbraw/zinc/42/13/26/1194421326.db2.gz UUEFWEGXYKZLLO-ZDUSSCGKSA-N 0 3 379.848 0.439 20 0 GCADHN CC1CCN([C@H](CNC(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)c2ccccc2)CC1 ZINC000422193524 1194423427 /nfs/dbraw/zinc/42/34/27/1194423427.db2.gz XCHXBNMWRPYVNE-QRVBRYPASA-N 0 3 389.496 0.387 20 0 GCADHN COCCOc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccn1 ZINC000271984382 1194428241 /nfs/dbraw/zinc/42/82/41/1194428241.db2.gz XCZIXRTXWMFCFN-INIZCTEOSA-N 0 3 376.457 0.485 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2cc(C(C)(C)C)nn2C)CC1 ZINC000141481849 1194431114 /nfs/dbraw/zinc/43/11/14/1194431114.db2.gz VBNZWSKEFGJLIV-OAHLLOKOSA-N 0 3 390.532 0.895 20 0 GCADHN CS[C@@H]1CN([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H]1N(C)C ZINC000272048103 1194432869 /nfs/dbraw/zinc/43/28/69/1194432869.db2.gz PSEKEFLQRDWLQR-HLLBOEOZSA-N 0 3 394.541 0.930 20 0 GCADHN COc1cc(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)ccc1OCC(N)=O ZINC000272288264 1194446321 /nfs/dbraw/zinc/44/63/21/1194446321.db2.gz CUHDFOJJYRAYPW-CABCVRRESA-N 0 3 376.457 0.795 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)[C@H]2C1 ZINC000272371448 1194454625 /nfs/dbraw/zinc/45/46/25/1194454625.db2.gz GSQXNUZFGNIANV-ZBFHGGJFSA-N 0 3 376.461 0.300 20 0 GCADHN COc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc(OC)c1OCC(N)=O ZINC000272387266 1194456270 /nfs/dbraw/zinc/45/62/70/1194456270.db2.gz CLFHGSYZBZQEMS-OCCSQVGLSA-N 0 3 377.441 0.734 20 0 GCADHN COc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc(OC)c1OCC(N)=O ZINC000272387261 1194456321 /nfs/dbraw/zinc/45/63/21/1194456321.db2.gz CLFHGSYZBZQEMS-JSGCOSHPSA-N 0 3 377.441 0.734 20 0 GCADHN COc1ccc([C@@H](NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000272456855 1194462699 /nfs/dbraw/zinc/46/26/99/1194462699.db2.gz UKGVLQNDTKSNAE-PBHICJAKSA-N 0 3 397.497 0.995 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)NCCCN3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000272468737 1194463921 /nfs/dbraw/zinc/46/39/21/1194463921.db2.gz PURUZROCRZKZPQ-MSOLQXFVSA-N 0 3 387.532 0.724 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000272491701 1194466392 /nfs/dbraw/zinc/46/63/92/1194466392.db2.gz CISHARHMZMMRCS-UPJWGTAASA-N 0 3 382.486 0.521 20 0 GCADHN C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)[C@H](C)CN1 ZINC000272498216 1194466751 /nfs/dbraw/zinc/46/67/51/1194466751.db2.gz DGVASDFBPSBDKR-FMKPAKJESA-N 0 3 381.498 0.966 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)[C@H](C)CN1 ZINC000272511239 1194467951 /nfs/dbraw/zinc/46/79/51/1194467951.db2.gz GIDMVIXCCZBALD-CKEIUWERSA-N 0 3 385.468 0.745 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)[C@@H](C)CN1 ZINC000272522397 1194468577 /nfs/dbraw/zinc/46/85/77/1194468577.db2.gz HNYNJLHNWNJYPK-IJEWVQPXSA-N 0 3 381.498 0.966 20 0 GCADHN C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)[C@@H](C)CN1 ZINC000272529091 1194469978 /nfs/dbraw/zinc/46/99/78/1194469978.db2.gz ICRKGTZMOPPMCE-STQMWFEESA-N 0 3 385.461 0.669 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)[C@H](C)O)cc1 ZINC000272533995 1194470511 /nfs/dbraw/zinc/47/05/11/1194470511.db2.gz XDGDFTYVGLBMRF-FSZRXZPDSA-N 0 3 395.525 0.764 20 0 GCADHN COc1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)NC[C@H]2C)cc1OC ZINC000272558443 1194472900 /nfs/dbraw/zinc/47/29/00/1194472900.db2.gz LKJRJQCTDICFRM-QWHCGFSZSA-N 0 3 385.486 0.581 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)[C@H](C)O)cc1 ZINC000272561914 1194473541 /nfs/dbraw/zinc/47/35/41/1194473541.db2.gz BYITXDHCHNBMML-ZZCKCESHSA-N 0 3 395.525 0.622 20 0 GCADHN C[C@@H](O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000272579247 1194474831 /nfs/dbraw/zinc/47/48/31/1194474831.db2.gz OBZYHNNWMOYSAF-CABCVRRESA-N 0 3 399.488 0.361 20 0 GCADHN C[C@H](O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000272579260 1194475045 /nfs/dbraw/zinc/47/50/45/1194475045.db2.gz OBZYHNNWMOYSAF-LSDHHAIUSA-N 0 3 399.488 0.361 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)[C@@H]2C1 ZINC000272579916 1194475718 /nfs/dbraw/zinc/47/57/18/1194475718.db2.gz WCVAAKWJFGMRKC-XJKSGUPXSA-N 0 3 398.554 0.918 20 0 GCADHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000272611187 1194478057 /nfs/dbraw/zinc/47/80/57/1194478057.db2.gz ZLGLICLPVZDAKD-LLVKDONJSA-N 0 3 395.485 0.385 20 0 GCADHN C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)CN1 ZINC000272625763 1194480025 /nfs/dbraw/zinc/48/00/25/1194480025.db2.gz VMWJKTWLGHOXCV-HZPDHXFCSA-N 0 3 395.525 0.849 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)[C@H]2C1 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1194533157 /nfs/dbraw/zinc/53/31/57/1194533157.db2.gz WJYHNJZFXIDSRJ-YOEHRIQHSA-N 0 3 388.468 0.923 20 0 GCADHN C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C1=CCN(C)CC1 ZINC000273042988 1194533382 /nfs/dbraw/zinc/53/33/82/1194533382.db2.gz WJYHNJZFXIDSRJ-PBHICJAKSA-N 0 3 388.468 0.923 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccsc2C(=O)OC)CC1 ZINC000273050151 1194534488 /nfs/dbraw/zinc/53/44/88/1194534488.db2.gz CFMOZENZIYIVFB-ZDUSSCGKSA-N 0 3 396.513 0.863 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1=O ZINC000273134723 1194541491 /nfs/dbraw/zinc/54/14/91/1194541491.db2.gz VLYANDBHZZNVDL-WBVHZDCISA-N 0 3 387.484 0.099 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)CC1 ZINC000273235833 1194548499 /nfs/dbraw/zinc/54/84/99/1194548499.db2.gz GRPQSFODUUUVLA-SJORKVTESA-N 0 3 388.468 0.628 20 0 GCADHN COCCN(CCN(C)C)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000273240562 1194548693 /nfs/dbraw/zinc/54/86/93/1194548693.db2.gz NBAQKXYZHUUSKW-QGZVFWFLSA-N 0 3 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GCADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1=O ZINC000422426566 1194638099 /nfs/dbraw/zinc/63/80/99/1194638099.db2.gz BRTSAXZXBULXBS-GJZGRUSLSA-N 0 3 390.488 0.067 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000422426950 1194638629 /nfs/dbraw/zinc/63/86/29/1194638629.db2.gz PUHLOCZWCVOOJF-OAHLLOKOSA-N 0 3 375.498 0.966 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000422406793 1194639459 /nfs/dbraw/zinc/63/94/59/1194639459.db2.gz YHQCTBRFLOTWTQ-SWLSCSKDSA-N 0 3 394.422 0.739 20 0 GCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1)CCC2 ZINC000422428209 1194641019 /nfs/dbraw/zinc/64/10/19/1194641019.db2.gz PUCDRFFUWYVYLP-SJORKVTESA-N 0 3 391.516 0.964 20 0 GCADHN COC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)[C@@H]1CCCO1 ZINC000422428914 1194642766 /nfs/dbraw/zinc/64/27/66/1194642766.db2.gz RQUZMXVJOHWOJJ-HOTGVXAUSA-N 0 3 383.514 0.949 20 0 GCADHN COCC1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCCC1 ZINC000422458939 1194649730 /nfs/dbraw/zinc/64/97/30/1194649730.db2.gz ZMPFAPYOJVFPRK-INIZCTEOSA-N 0 3 394.516 0.074 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccn(C)n1 ZINC000422491100 1194651093 /nfs/dbraw/zinc/65/10/93/1194651093.db2.gz NMDHOFIDYMHFHU-OAGGEKHMSA-N 0 3 391.516 0.945 20 0 GCADHN COCC1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000422514577 1194658241 /nfs/dbraw/zinc/65/82/41/1194658241.db2.gz FLJCGNMEWIZKPB-JCYILVPMSA-N 0 3 394.516 0.073 20 0 GCADHN CO[C@@](C)([C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000422515304 1194658305 /nfs/dbraw/zinc/65/83/05/1194658305.db2.gz BELAIJSDYSMALR-QRWLVFNGSA-N 0 3 394.516 0.073 20 0 GCADHN CO[C@@](C)([C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000422515305 1194658740 /nfs/dbraw/zinc/65/87/40/1194658740.db2.gz BELAIJSDYSMALR-YWZLYKJASA-N 0 3 394.516 0.073 20 0 GCADHN CS(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000422526189 1194662008 /nfs/dbraw/zinc/66/20/08/1194662008.db2.gz 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GCADHN CCCN(C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)[C@H]1CC[NH2+]C1 ZINC000423667611 1194782241 /nfs/dbraw/zinc/78/22/41/1194782241.db2.gz UTDKYIPAJCXQML-HNNXBMFYSA-N 0 3 388.468 0.277 20 0 GCADHN [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000423672365 1194784148 /nfs/dbraw/zinc/78/41/48/1194784148.db2.gz DSDQWXXGRVIWCT-OAHLLOKOSA-N 0 3 388.468 0.264 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C[C@@H]1C[NH3+] ZINC000423702965 1194784263 /nfs/dbraw/zinc/78/42/63/1194784263.db2.gz AUKCKGITGFYWPS-GJZGRUSLSA-N 0 3 388.468 0.120 20 0 GCADHN CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)C(=O)N1CCNC(C)(C)C1 ZINC000423705950 1194786863 /nfs/dbraw/zinc/78/68/63/1194786863.db2.gz AFPYCOXXWFAWIH-DOTOQJQBSA-N 0 3 390.532 0.472 20 0 GCADHN C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000423708781 1194787089 /nfs/dbraw/zinc/78/70/89/1194787089.db2.gz VQVRVNALFAYAOS-HNNXBMFYSA-N 0 3 388.468 0.135 20 0 GCADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000423724506 1194789265 /nfs/dbraw/zinc/78/92/65/1194789265.db2.gz RLXNNXSRESUXCH-LJQANCHMSA-N 0 3 394.560 0.938 20 0 GCADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)[C@H]1C[NH3+] ZINC000423726178 1194789383 /nfs/dbraw/zinc/78/93/83/1194789383.db2.gz IKIAKKRYJDAVQD-ZBFHGGJFSA-N 0 3 388.468 0.262 20 0 GCADHN CCS(=O)(=O)N1CCC(NC(=O)N(CCN(C)C)Cc2ccccn2)CC1 ZINC000504422283 1194794232 /nfs/dbraw/zinc/79/42/32/1194794232.db2.gz RDKZFDKVBZMHGK-UHFFFAOYSA-N 0 3 397.545 0.969 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CN1C1CC1 ZINC000664368160 1194794281 /nfs/dbraw/zinc/79/42/81/1194794281.db2.gz QBNXKRITHARWNY-CHWSQXEVSA-N 0 3 382.490 0.051 20 0 GCADHN CN(CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)S(C)(=O)=O ZINC000504518380 1194796731 /nfs/dbraw/zinc/79/67/31/1194796731.db2.gz GWPIBUFSBASODP-UHFFFAOYSA-N 0 3 396.513 0.020 20 0 GCADHN CCCCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423993600 1194797618 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395.406 0.502 20 0 GCADHN CN1CC[C@H](CNC(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1=O ZINC000424536853 1194819963 /nfs/dbraw/zinc/81/99/63/1194819963.db2.gz BQPYUWZOROCAMX-KSSFIOAISA-N 0 3 382.464 0.940 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000424541734 1194822610 /nfs/dbraw/zinc/82/26/10/1194822610.db2.gz HTPXDNZOCSWPQH-AWEZNQCLSA-N 0 3 392.525 0.833 20 0 GCADHN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NC[C@@H]1CNCCO1 ZINC000414798908 1194825250 /nfs/dbraw/zinc/82/52/50/1194825250.db2.gz ZRECTPSHYFCYGX-LBPRGKRZSA-N 0 3 384.458 0.246 20 0 GCADHN CN1CCC(n2ccc(=NC(=O)C(=O)NCc3cc(Cl)ccn3)[nH]2)CC1 ZINC000427273461 1194825352 /nfs/dbraw/zinc/82/53/52/1194825352.db2.gz GDCZDBMBVKFDEO-UHFFFAOYSA-N 0 3 376.848 0.875 20 0 GCADHN COC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000505088111 1194827103 /nfs/dbraw/zinc/82/71/03/1194827103.db2.gz VUMVOXMNTWEVEW-QGZVFWFLSA-N 0 3 392.500 0.669 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccc(CS(C)(=O)=O)c2)CC1 ZINC000505407149 1194837303 /nfs/dbraw/zinc/83/73/03/1194837303.db2.gz CDJWZTUNLXILLE-UHFFFAOYSA-N 0 3 395.525 0.857 20 0 GCADHN CN(CC(=O)Nc1ccc(OC2CCN(C)CC2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000434359493 1194841503 /nfs/dbraw/zinc/84/15/03/1194841503.db2.gz LNGFMVIPZVOODO-HNNXBMFYSA-N 0 3 396.513 0.612 20 0 GCADHN Cc1oc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1S(=O)(=O)N(C)C ZINC000366584171 1194843766 /nfs/dbraw/zinc/84/37/66/1194843766.db2.gz MVZWLHZKVORRBA-CQSZACIVSA-N 0 3 385.486 0.821 20 0 GCADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)c1ncc(Cl)cn1)C2 ZINC001269791030 1194847685 /nfs/dbraw/zinc/84/76/85/1194847685.db2.gz FWGVPCLOCQONMN-QGZVFWFLSA-N 0 3 381.864 0.383 20 0 GCADHN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000425116736 1194857394 /nfs/dbraw/zinc/85/73/94/1194857394.db2.gz WBMPUXKNELZXNX-ZWKOTPCHSA-N 0 3 386.496 0.486 20 0 GCADHN C[C@@H]1CN(CCN(C)C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C[C@H](C)O1 ZINC000434708951 1194861262 /nfs/dbraw/zinc/86/12/62/1194861262.db2.gz FBIJGSYGUHDFOO-JZXOWHBKSA-N 0 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1194905851 /nfs/dbraw/zinc/90/58/51/1194905851.db2.gz DUVWTNUELLTNKD-MRXNPFEDSA-N 0 3 390.484 0.862 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)CC1=O ZINC000425312344 1194906383 /nfs/dbraw/zinc/90/63/83/1194906383.db2.gz GTHLEIZTXQKCKD-BBRMVZONSA-N 0 3 379.505 0.436 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1=O ZINC000425313205 1194906655 /nfs/dbraw/zinc/90/66/55/1194906655.db2.gz HYKMDXLIIMYCHY-HNNXBMFYSA-N 0 3 376.457 0.574 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccnc2OC(C)C)CC1=O ZINC000425313172 1194906748 /nfs/dbraw/zinc/90/67/48/1194906748.db2.gz HUYCMVAIPJTEFD-OAHLLOKOSA-N 0 3 378.473 0.778 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccnn2C2CCCC2)CC1=O ZINC000425308476 1194907090 /nfs/dbraw/zinc/90/70/90/1194907090.db2.gz BYVORMLNGFTHBM-OAHLLOKOSA-N 0 3 377.489 0.907 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@H]4C3)C2)CC1 ZINC000514780378 1194910552 /nfs/dbraw/zinc/91/05/52/1194910552.db2.gz SMRNYSUORCUSQL-OALUTQOASA-N 0 3 391.560 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/nfs/dbraw/zinc/92/47/71/1194924771.db2.gz ZYIGEQWAQBPQFE-HNNXBMFYSA-N 0 3 399.495 0.619 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(Cc4cccs4)CC3)[C@@H]2C1 ZINC000425371200 1194927851 /nfs/dbraw/zinc/92/78/51/1194927851.db2.gz FYGZLKVKJSYHCO-DOTOQJQBSA-N 0 3 376.526 0.945 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)no1 ZINC000425376244 1194930391 /nfs/dbraw/zinc/93/03/91/1194930391.db2.gz WESBVHNYNJHUCW-DOTOQJQBSA-N 0 3 375.473 0.180 20 0 GCADHN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425387852 1194935976 /nfs/dbraw/zinc/93/59/76/1194935976.db2.gz OAJNNIHHENZBJJ-DOTOQJQBSA-N 0 3 393.509 0.601 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C[C@@H](C)O1 ZINC000425387790 1194936070 /nfs/dbraw/zinc/93/60/70/1194936070.db2.gz NTCFSSVTQJSBMJ-ZSXDVEMLSA-N 0 3 392.544 0.639 20 0 GCADHN Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000515003379 1194936621 /nfs/dbraw/zinc/93/66/21/1194936621.db2.gz 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GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000435700669 1194957105 /nfs/dbraw/zinc/95/71/05/1194957105.db2.gz JTEASVFYWUBUDM-SANMLTNESA-N 0 3 379.526 0.979 20 0 GCADHN C[C@H]1c2nncn2CCN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425404354 1194959065 /nfs/dbraw/zinc/95/90/65/1194959065.db2.gz PRUIECNWNBIGBB-RYQLBKOJSA-N 0 3 394.479 0.914 20 0 GCADHN Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000515247630 1194960901 /nfs/dbraw/zinc/96/09/01/1194960901.db2.gz QSMKOSKAIWDSAP-MRXNPFEDSA-N 0 3 390.532 0.838 20 0 GCADHN C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425408782 1194963361 /nfs/dbraw/zinc/96/33/61/1194963361.db2.gz XURVPIQKALYGRV-HRCADAONSA-N 0 3 391.541 0.901 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000664500542 1194964002 /nfs/dbraw/zinc/96/40/02/1194964002.db2.gz PBTGPGIFTZDVLN-LBPRGKRZSA-N 0 3 395.426 0.201 20 0 GCADHN CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000515319156 1194968333 /nfs/dbraw/zinc/96/83/33/1194968333.db2.gz XEBHBRVPZWVKQP-BZUAXINKSA-N 0 3 382.505 0.071 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)NCC(C)(C)N1CCCCC1)N1CCOCC1 ZINC000515374380 1194969870 /nfs/dbraw/zinc/96/98/70/1194969870.db2.gz PZDPTXGMXKNJGG-KRWDZBQOSA-N 0 3 382.549 0.840 20 0 GCADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000515373365 1194970063 /nfs/dbraw/zinc/97/00/63/1194970063.db2.gz QPKBZPGNDLYXGY-UZLBHIALSA-N 0 3 395.500 0.501 20 0 GCADHN Nc1nc(=O)[nH]cc1N1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000435904373 1194971415 /nfs/dbraw/zinc/97/14/15/1194971415.db2.gz ZBTPWULKVVQQOW-UHFFFAOYSA-N 0 3 390.488 0.448 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)[C@H](O)c3cccc(Cl)c3)C2)OCC1=O ZINC001270028836 1194972688 /nfs/dbraw/zinc/97/26/88/1194972688.db2.gz QGALQKMHZHUKCI-MRXNPFEDSA-N 0 3 381.860 0.375 20 0 GCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCc1ccn(C)n1 ZINC000515477509 1194978154 /nfs/dbraw/zinc/97/81/54/1194978154.db2.gz ZCTNNQXUYJDODV-IBGZPJMESA-N 0 3 398.511 0.987 20 0 GCADHN COCC(C)(C)NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000436094125 1194985384 /nfs/dbraw/zinc/98/53/84/1194985384.db2.gz RIIQIIPDFPAHJR-UHFFFAOYSA-N 0 3 385.486 0.661 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000425469797 1194986685 /nfs/dbraw/zinc/98/66/85/1194986685.db2.gz SQQWZUVFQZTVGU-HZPDHXFCSA-N 0 3 377.493 0.567 20 0 GCADHN CCO[C@@H]1C[C@@](CO)(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC000436131234 1194986931 /nfs/dbraw/zinc/98/69/31/1194986931.db2.gz YMLGCORXFALKBD-YRNRMSPPSA-N 0 3 398.548 0.794 20 0 GCADHN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000515617813 1194987634 /nfs/dbraw/zinc/98/76/34/1194987634.db2.gz WCJTYISHXNSMKX-SJORKVTESA-N 0 3 388.468 0.574 20 0 GCADHN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000515672694 1194990226 /nfs/dbraw/zinc/99/02/26/1194990226.db2.gz IMNICWXUVQONFZ-QBPKDAKJSA-N 0 3 394.516 0.247 20 0 GCADHN CN1CCN(CC(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000436284967 1194994436 /nfs/dbraw/zinc/99/44/36/1194994436.db2.gz NDYKRCKMUWUHKZ-MRXNPFEDSA-N 0 3 387.484 0.096 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCCN([C@H](C)CO)CC2)c1 ZINC000505785812 1194994867 /nfs/dbraw/zinc/99/48/67/1194994867.db2.gz WYGIEYAWLDGELC-CQSZACIVSA-N 0 3 391.472 0.083 20 0 GCADHN COCC(C)(C)N1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000425513301 1194995655 /nfs/dbraw/zinc/99/56/55/1194995655.db2.gz ZPXRATSFQZHRLP-QGZVFWFLSA-N 0 3 390.484 0.907 20 0 GCADHN COCC(C)(C)N1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000425513300 1194995757 /nfs/dbraw/zinc/99/57/57/1194995757.db2.gz ZPXRATSFQZHRLP-KRWDZBQOSA-N 0 3 390.484 0.907 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CC[C@@H](c3nc[nH]n3)C2)c1C ZINC000425527660 1194998645 /nfs/dbraw/zinc/99/86/45/1194998645.db2.gz AZCITWKNJYOBGF-GFCCVEGCSA-N 0 3 378.458 0.497 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)cc1 ZINC000515888622 1195004812 /nfs/dbraw/zinc/00/48/12/1195004812.db2.gz IXJFYMJEXVGESZ-UHFFFAOYSA-N 0 3 375.473 0.129 20 0 GCADHN COc1cc(OC)c(OC)cc1CNC(=O)CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425540653 1195004841 /nfs/dbraw/zinc/00/48/41/1195004841.db2.gz FDAXBMUJMPXJQH-LBPRGKRZSA-N 0 3 375.429 0.936 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CC[C@@H](c3nnc[nH]3)C2)c(OC)c1 ZINC000425546764 1195005329 /nfs/dbraw/zinc/00/53/29/1195005329.db2.gz LIHCENXXTPVMBQ-KGLIPLIRSA-N 0 3 376.413 0.829 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)CN2CC[C@H](c3nc[nH]n3)C2)ccc1C ZINC000425556022 1195006547 /nfs/dbraw/zinc/00/65/47/1195006547.db2.gz ZFFNOOIBUOWSSF-LBPRGKRZSA-N 0 3 378.458 0.449 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OC(C)C)nc2)CC1 ZINC000515884865 1195006752 /nfs/dbraw/zinc/00/67/52/1195006752.db2.gz NXKOQPUYKGUAMW-HNNXBMFYSA-N 0 3 377.489 0.950 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000436484950 1195012059 /nfs/dbraw/zinc/01/20/59/1195012059.db2.gz DUYUKSDCVAWISU-UHFFFAOYSA-N 0 3 376.465 0.351 20 0 GCADHN Cn1cc(CN[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(=O)n(C)c1=O ZINC000516081047 1195019990 /nfs/dbraw/zinc/01/99/90/1195019990.db2.gz VOJYIQWFPJYWMX-GFCCVEGCSA-N 0 3 376.379 0.507 20 0 GCADHN CCS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000546028411 1195025075 /nfs/dbraw/zinc/02/50/75/1195025075.db2.gz FYZBOFUWIMGCEJ-HNNXBMFYSA-N 0 3 389.566 0.126 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000516178018 1195030111 /nfs/dbraw/zinc/03/01/11/1195030111.db2.gz GSQFVCJRDRUSGZ-OAHLLOKOSA-N 0 3 381.521 0.581 20 0 GCADHN O=C(NCCC1CCN([C@H]2CCC(=O)NC2=O)CC1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001270125236 1195032726 /nfs/dbraw/zinc/03/27/26/1195032726.db2.gz VIIOPMGNLSORJM-NBOOPKSLSA-N 0 3 377.485 0.825 20 0 GCADHN CNS(=O)(=O)c1cccc(C(=O)Nc2cnccc2N2CCN(C)CC2)c1 ZINC000516207815 1195033033 /nfs/dbraw/zinc/03/30/33/1195033033.db2.gz NYUUOQKFRAXJMX-UHFFFAOYSA-N 0 3 389.481 0.994 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@@H](O)CNC[C@@H]1CCCCS1(=O)=O ZINC000516278539 1195038384 /nfs/dbraw/zinc/03/83/84/1195038384.db2.gz WRNLSTKLRKKVJX-GJZGRUSLSA-N 0 3 381.454 0.421 20 0 GCADHN CN(C)C[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 ZINC000288269344 1195055287 /nfs/dbraw/zinc/05/52/87/1195055287.db2.gz RRUCXURCQVXLLU-MRXNPFEDSA-N 0 3 399.426 0.804 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288319476 1195056253 /nfs/dbraw/zinc/05/62/53/1195056253.db2.gz RUUSMMHLOQYPNL-RDJZCZTQSA-N 0 3 383.514 0.722 20 0 GCADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001270162977 1195061890 /nfs/dbraw/zinc/06/18/90/1195061890.db2.gz MXCLSGPYFNGORZ-NSHDSACASA-N 0 3 376.379 0.851 20 0 GCADHN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c2)n1 ZINC000516584982 1195071273 /nfs/dbraw/zinc/07/12/73/1195071273.db2.gz HNEOOYVGKQFNGB-CABCVRRESA-N 0 3 397.435 0.667 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000516625056 1195074928 /nfs/dbraw/zinc/07/49/28/1195074928.db2.gz SLRCJHASWVMDJK-UHFFFAOYSA-N 0 3 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0.642 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCN3)CC1 ZINC000414977457 1195281116 /nfs/dbraw/zinc/28/11/16/1195281116.db2.gz PVHRVMUVRKLQNX-KRWDZBQOSA-N 0 3 385.468 0.358 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000295571330 1195285115 /nfs/dbraw/zinc/28/51/15/1195285115.db2.gz VBZMCEMITWUKRC-MRXNPFEDSA-N 0 3 381.498 0.704 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000518396828 1195286829 /nfs/dbraw/zinc/28/68/29/1195286829.db2.gz BSVSECRQYSCXML-AWEZNQCLSA-N 0 3 390.488 0.337 20 0 GCADHN O=C(CN1CCCNC1=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000518422182 1195288013 /nfs/dbraw/zinc/28/80/13/1195288013.db2.gz MNIKZIIYWHQZDO-UHFFFAOYSA-N 0 3 387.484 0.544 20 0 GCADHN CN(CCNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)Cc1ccccc1 ZINC000518434027 1195290924 /nfs/dbraw/zinc/29/09/24/1195290924.db2.gz HLGQDHQVALICBL-UHFFFAOYSA-N 0 3 383.452 0.438 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000426290972 1195291288 /nfs/dbraw/zinc/29/12/88/1195291288.db2.gz QBLXNDPNRKXCDA-PMPSAXMXSA-N 0 3 379.505 0.382 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000439208442 1195294607 /nfs/dbraw/zinc/29/46/07/1195294607.db2.gz AGLNSAOQCVDCCG-UHFFFAOYSA-N 0 3 394.497 0.719 20 0 GCADHN CSc1nnnn1-c1cccc(NC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC000439199686 1195295934 /nfs/dbraw/zinc/29/59/34/1195295934.db2.gz ONJWOVRTUTUXBQ-UHFFFAOYSA-N 0 3 389.485 0.877 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000439217295 1195297731 /nfs/dbraw/zinc/29/77/31/1195297731.db2.gz QVKVARWWDODONN-UHFFFAOYSA-N 0 3 394.497 0.719 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000439214598 1195297961 /nfs/dbraw/zinc/29/79/61/1195297961.db2.gz LCRPHKBJKYWGFO-UHFFFAOYSA-N 0 3 382.486 0.430 20 0 GCADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N(C)CCN2CCCC2)cn1 ZINC000439225792 1195298399 /nfs/dbraw/zinc/29/83/99/1195298399.db2.gz URBBDIDQIBCPJC-UHFFFAOYSA-N 0 3 379.461 0.674 20 0 GCADHN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518561898 1195303514 /nfs/dbraw/zinc/30/35/14/1195303514.db2.gz SYLXHZJAAPMUAE-IKGGRYGDSA-N 0 3 395.525 0.437 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)n1nnc(-c2ccccc2)n1 ZINC000518564049 1195304307 /nfs/dbraw/zinc/30/43/07/1195304307.db2.gz FEEIXNBVSVIFQI-OWCLPIDISA-N 0 3 383.456 0.308 20 0 GCADHN NC(=O)[C@H]1CCCN1CCCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000518605818 1195309085 /nfs/dbraw/zinc/30/90/85/1195309085.db2.gz YPMHBCKDNXWXDG-LJQANCHMSA-N 0 3 387.528 0.260 20 0 GCADHN CC[C@H](NC(=O)NC[C@@H](C)CN1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000439362736 1195314007 /nfs/dbraw/zinc/31/40/07/1195314007.db2.gz XWPMHPHSWWHOIN-SJORKVTESA-N 0 3 383.537 0.197 20 0 GCADHN CCS(=O)(=O)CCN1CC[C@@]2(CCN(C(=O)[C@@H](C)N3CCCC3)C2)C1=O ZINC001270491465 1195320299 /nfs/dbraw/zinc/32/02/99/1195320299.db2.gz WGYIJONDJSDGGI-QAPCUYQASA-N 0 3 385.530 0.356 20 0 GCADHN Cc1nc(CN2C(=O)COCC23CN(C(=O)[C@@H](C)N2CCCC2)C3)cs1 ZINC001270490685 1195321449 /nfs/dbraw/zinc/32/14/49/1195321449.db2.gz QHIFWSTYQWMJIO-CYBMUJFWSA-N 0 3 378.498 0.876 20 0 GCADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715729 1195323928 /nfs/dbraw/zinc/32/39/28/1195323928.db2.gz NRIUABVCHNWBOA-BVBHFADKSA-N 0 3 386.496 0.355 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000518738474 1195324893 /nfs/dbraw/zinc/32/48/93/1195324893.db2.gz QNGHCXAQLRHLBZ-GOSISDBHSA-N 0 3 375.469 0.668 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000518768662 1195328355 /nfs/dbraw/zinc/32/83/55/1195328355.db2.gz XUGRGRHFZZWUHV-ROUUACIJSA-N 0 3 380.533 0.284 20 0 GCADHN O=C(NC[C@H]1CCCCN1C1CC1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664758798 1195332392 /nfs/dbraw/zinc/33/23/92/1195332392.db2.gz LFZUETJCJYDEEH-OAHLLOKOSA-N 0 3 396.517 0.443 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)N(C)CCNC(=O)N(C)C)c1ccccc1 ZINC000550018335 1195332760 /nfs/dbraw/zinc/33/27/60/1195332760.db2.gz HFPDPRAMPDCKDP-QGZVFWFLSA-N 0 3 391.516 0.915 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1Cl ZINC000518797839 1195335086 /nfs/dbraw/zinc/33/50/86/1195335086.db2.gz SOSDTFNDGXFWEF-KCXAZCMYSA-N 0 3 392.887 0.924 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2c2ccncc2)CC1 ZINC000297428002 1195337705 /nfs/dbraw/zinc/33/77/05/1195337705.db2.gz BUUGQGRPGVYROP-ZWKOTPCHSA-N 0 3 399.495 0.510 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CN1C1CC1 ZINC000518832851 1195337800 /nfs/dbraw/zinc/33/78/00/1195337800.db2.gz WYAKOSHTSBBYJR-YESZJQIVSA-N 0 3 378.517 0.299 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000439633496 1195337956 /nfs/dbraw/zinc/33/79/56/1195337956.db2.gz MOUJBZGDADOZPG-UHFFFAOYSA-N 0 3 393.818 0.956 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cc(F)c(F)cc1F ZINC000439647074 1195339406 /nfs/dbraw/zinc/33/94/06/1195339406.db2.gz VBPDWTUXALNPMM-UHFFFAOYSA-N 0 3 377.363 0.442 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000439648962 1195339447 /nfs/dbraw/zinc/33/94/47/1195339447.db2.gz XBFQWYIIDVHSCE-UHFFFAOYSA-N 0 3 378.473 0.017 20 0 GCADHN CNS(=O)(=O)CCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000439709315 1195342444 /nfs/dbraw/zinc/34/24/44/1195342444.db2.gz QIFUNJJYSGUWQZ-MRXNPFEDSA-N 0 3 384.502 0.681 20 0 GCADHN COCCS(=O)(=O)c1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000518889827 1195343800 /nfs/dbraw/zinc/34/38/00/1195343800.db2.gz PFMXDUJAGCRKJG-UHFFFAOYSA-N 0 3 397.541 0.816 20 0 GCADHN O=S(=O)(CCNC[C@@H](O)COc1ccccc1F)NC[C@@H]1CCCCO1 ZINC000518964892 1195352083 /nfs/dbraw/zinc/35/20/83/1195352083.db2.gz FOPSYJXDTGUIJQ-CABCVRRESA-N 0 3 390.477 0.644 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000519039615 1195363351 /nfs/dbraw/zinc/36/33/51/1195363351.db2.gz MTABMHLOAWQEBR-MRXNPFEDSA-N 0 3 383.514 0.843 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)nc1)c1ccccc1 ZINC000550024652 1195370900 /nfs/dbraw/zinc/37/09/00/1195370900.db2.gz DRADNOZYWXUUHT-SFHVURJKSA-N 0 3 397.479 0.996 20 0 GCADHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000519149681 1195375764 /nfs/dbraw/zinc/37/57/64/1195375764.db2.gz YNJQIPQVMYUJSR-UHFFFAOYSA-N 0 3 385.486 0.996 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)C[C@@H]1O ZINC000519178876 1195377063 /nfs/dbraw/zinc/37/70/63/1195377063.db2.gz PXOVNESPICGGSF-FPXQBCRKSA-N 0 3 393.484 0.850 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664785198 1195381964 /nfs/dbraw/zinc/38/19/64/1195381964.db2.gz QDQMLTJVCXWIPX-CQSZACIVSA-N 0 3 398.533 0.546 20 0 GCADHN CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000440092357 1195384393 /nfs/dbraw/zinc/38/43/93/1195384393.db2.gz OEMYXKRNTOQKQN-ZDUSSCGKSA-N 0 3 387.502 0.933 20 0 GCADHN C[C@H](O)CN1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000298889859 1195384586 /nfs/dbraw/zinc/38/45/86/1195384586.db2.gz ACHBXTVQIYIADE-INIZCTEOSA-N 0 3 394.491 0.241 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)N(CCCc2ccccc2)CCN(C)C)CCO1 ZINC000299070770 1195389645 /nfs/dbraw/zinc/38/96/45/1195389645.db2.gz JWPRAPTUMQYKBP-IBGZPJMESA-N 0 3 391.512 0.883 20 0 GCADHN COCCN1CC[C@H](NC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)C1 ZINC000519369241 1195396196 /nfs/dbraw/zinc/39/61/96/1195396196.db2.gz DVMZWZAMEGDGFS-INIZCTEOSA-N 0 3 397.497 0.395 20 0 GCADHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000519413527 1195406095 /nfs/dbraw/zinc/40/60/95/1195406095.db2.gz FGMUQYLOIJORIA-UHFFFAOYSA-N 0 3 397.479 0.780 20 0 GCADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000550034163 1195418479 /nfs/dbraw/zinc/41/84/79/1195418479.db2.gz AGAWQPOWRVLVIX-MRXNPFEDSA-N 0 3 377.489 0.005 20 0 GCADHN Cc1nnc2n1C[C@@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)CC2 ZINC000550035529 1195419039 /nfs/dbraw/zinc/41/90/39/1195419039.db2.gz SKAQGMBINXQIMY-MSOLQXFVSA-N 0 3 398.511 0.554 20 0 GCADHN Cc1nnc2n1C[C@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)CC2 ZINC000550035535 1195419101 /nfs/dbraw/zinc/41/91/01/1195419101.db2.gz SKAQGMBINXQIMY-ZWKOTPCHSA-N 0 3 398.511 0.554 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1cncn1)N(C)C ZINC001719862510 1195422621 /nfs/dbraw/zinc/42/26/21/1195422621.db2.gz UKEGOPWBASYINR-MUQADHOPSA-N 0 3 376.505 0.893 20 0 GCADHN O=C(CCCN1CCN(c2ccccc2)CC1)NCc1nnc2c(=O)[nH]ccn12 ZINC000894423525 1195423242 /nfs/dbraw/zinc/42/32/42/1195423242.db2.gz WFRPDVUERWAVIP-UHFFFAOYSA-N 0 3 395.467 0.636 20 0 GCADHN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)C2)n(C)n1 ZINC000894461880 1195429641 /nfs/dbraw/zinc/42/96/41/1195429641.db2.gz DEZIIHYCKSSPKS-KSZLIROESA-N 0 3 390.532 0.938 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000550095044 1195433518 /nfs/dbraw/zinc/43/35/18/1195433518.db2.gz ODFMAIVCYUYKLE-SFHVURJKSA-N 0 3 380.533 0.546 20 0 GCADHN Cc1nccn1CCCCNC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000550094239 1195434546 /nfs/dbraw/zinc/43/45/46/1195434546.db2.gz FICJJJRHIAHIQC-QGZVFWFLSA-N 0 3 379.505 0.561 20 0 GCADHN Cc1nccn1CCCCNC(=O)C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000550094237 1195434637 /nfs/dbraw/zinc/43/46/37/1195434637.db2.gz FICJJJRHIAHIQC-KRWDZBQOSA-N 0 3 379.505 0.561 20 0 GCADHN Cc1cc(NC(=O)CN[C@@H](C2CC2)C(C)(C)CO)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000550101960 1195436093 /nfs/dbraw/zinc/43/60/93/1195436093.db2.gz FOUNLASZDRMKQN-PBHICJAKSA-N 0 3 398.529 0.876 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)CCN2C1=O ZINC000519554097 1195438649 /nfs/dbraw/zinc/43/86/49/1195438649.db2.gz TVIJSPSGNZZHHX-BNOWGMLFSA-N 0 3 391.859 0.399 20 0 GCADHN COCCN(C)S(=O)(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000111340311 1195441931 /nfs/dbraw/zinc/44/19/31/1195441931.db2.gz ZCTLUMJUDXUYJM-UHFFFAOYSA-N 0 3 384.546 0.559 20 0 GCADHN CC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC000550121351 1195442145 /nfs/dbraw/zinc/44/21/45/1195442145.db2.gz KFTKSGJVEHVQFA-UHFFFAOYSA-N 0 3 392.475 0.843 20 0 GCADHN Cc1ccc(NC(=O)CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1S(N)(=O)=O ZINC000550140577 1195447280 /nfs/dbraw/zinc/44/72/80/1195447280.db2.gz HWHUJQKZVBYZGQ-MSOLQXFVSA-N 0 3 397.497 0.491 20 0 GCADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000550141699 1195447657 /nfs/dbraw/zinc/44/76/57/1195447657.db2.gz ZHFAFARPRDKLOQ-ZWKOTPCHSA-N 0 3 397.497 0.491 20 0 GCADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000550141698 1195447955 /nfs/dbraw/zinc/44/79/55/1195447955.db2.gz ZHFAFARPRDKLOQ-ROUUACIJSA-N 0 3 397.497 0.491 20 0 GCADHN COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000894601187 1195449946 /nfs/dbraw/zinc/44/99/46/1195449946.db2.gz INTQOFOKCIHWKR-AWEZNQCLSA-N 0 3 392.504 0.830 20 0 GCADHN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000550178945 1195454344 /nfs/dbraw/zinc/45/43/44/1195454344.db2.gz VRLLZHQRJBGEDU-RYQLBKOJSA-N 0 3 377.485 0.274 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCc1nnc2n1CCCCC2)N1CCC[C@H](C)C1 ZINC000550203478 1195460485 /nfs/dbraw/zinc/46/04/85/1195460485.db2.gz RBFVWMYMPMEKOW-JKSUJKDBSA-N 0 3 390.532 0.900 20 0 GCADHN C[C@@H](CCc1ccc(O)cc1)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000550208802 1195460818 /nfs/dbraw/zinc/46/08/18/1195460818.db2.gz AHZNKCJSOMTXRQ-INIZCTEOSA-N 0 3 390.528 0.972 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H](C)O1 ZINC000550208560 1195460833 /nfs/dbraw/zinc/46/08/33/1195460833.db2.gz FNHHTCOIUXDUQK-IXDOHACOSA-N 0 3 380.533 0.687 20 0 GCADHN CN1CCN(CCCCNC(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000050111444 1195464480 /nfs/dbraw/zinc/46/44/80/1195464480.db2.gz YNDQBSVIFBHFAX-UHFFFAOYSA-N 0 3 382.530 0.787 20 0 GCADHN CC(C)C[C@]1(CO)CCCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000473812055 1195468908 /nfs/dbraw/zinc/46/89/08/1195468908.db2.gz YDRKEYQYLJIWMM-FQEVSTJZSA-N 0 3 384.565 0.959 20 0 GCADHN C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664846621 1195474979 /nfs/dbraw/zinc/47/49/79/1195474979.db2.gz RRDWNMSSFCORQC-BPUTZDHNSA-N 0 3 384.502 0.060 20 0 GCADHN COC[C@@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)n1 ZINC000426711671 1195478958 /nfs/dbraw/zinc/47/89/58/1195478958.db2.gz QKPCGHMMXMLSKD-HUUCEWRRSA-N 0 3 381.477 0.598 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000506927205 1195480420 /nfs/dbraw/zinc/48/04/20/1195480420.db2.gz AIFXPOXUJVRCHN-CYBMUJFWSA-N 0 3 382.486 0.375 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000415217007 1195481394 /nfs/dbraw/zinc/48/13/94/1195481394.db2.gz SYUWNILALUCJEM-WFASDCNBSA-N 0 3 378.429 0.478 20 0 GCADHN CCN(C[C@H](C)O)C(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000507044467 1195488415 /nfs/dbraw/zinc/48/84/15/1195488415.db2.gz BAODBHOKTQGMFM-INIZCTEOSA-N 0 3 376.501 0.992 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)[C@H](C)[C@H]1OC ZINC000519592865 1195500936 /nfs/dbraw/zinc/50/09/36/1195500936.db2.gz WDMXQWMYIMJNMP-WNRNVDISSA-N 0 3 396.576 0.942 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)[C@@H](C)[C@@H]1OC ZINC000519592860 1195500998 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392.500 0.967 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC2(C(=O)OC)CCCCC2)CC1 ZINC000507737433 1195607034 /nfs/dbraw/zinc/60/70/34/1195607034.db2.gz AFKQOBHCMOIEIY-UHFFFAOYSA-N 0 3 396.532 0.465 20 0 GCADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C)n1 ZINC000520257210 1195610541 /nfs/dbraw/zinc/61/05/41/1195610541.db2.gz BABJPHQGNDWZRZ-UHFFFAOYSA-N 0 3 386.504 0.421 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CC[S@@](=O)C3)cc2)CC1 ZINC000441217358 1195610708 /nfs/dbraw/zinc/61/07/08/1195610708.db2.gz ICFJAKGXJUORHB-CBZJRKILSA-N 0 3 392.525 0.400 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCC([C@@H](O)C(=O)OC)CC2)cc1 ZINC000441223439 1195611017 /nfs/dbraw/zinc/61/10/17/1195611017.db2.gz ABMQVDOSLSBXMH-NVXWUHKLSA-N 0 3 381.425 0.459 20 0 GCADHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)c1nc(N)nc(N(C)C)n1 ZINC000520245579 1195611586 /nfs/dbraw/zinc/61/15/86/1195611586.db2.gz XWMIFZCQWWASLB-HZPDHXFCSA-N 0 3 399.499 0.787 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NCc3ccc(C(N)=O)nc3)cc2)CC1 ZINC000441244219 1195614918 /nfs/dbraw/zinc/61/49/18/1195614918.db2.gz JYWQJAKQJJTKBE-UHFFFAOYSA-N 0 3 396.495 0.927 20 0 GCADHN CCn1c(=O)[nH]c2cc(C(=O)N(C)CCCN3CCN(C)CC3)ccc2c1=O ZINC000520310878 1195619282 /nfs/dbraw/zinc/61/92/82/1195619282.db2.gz QIGDMUPVVGVRRF-UHFFFAOYSA-N 0 3 387.484 0.832 20 0 GCADHN C[C@@H](C(=O)N(C)CCCN1CCN(C)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000520359063 1195626477 /nfs/dbraw/zinc/62/64/77/1195626477.db2.gz CCDFREPBMGJGLJ-YESZJQIVSA-N 0 3 378.517 0.646 20 0 GCADHN NC(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)nc1 ZINC000520360496 1195626911 /nfs/dbraw/zinc/62/69/11/1195626911.db2.gz SFUFZRJRHRZXRF-UHFFFAOYSA-N 0 3 395.463 0.936 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000520359602 1195627020 /nfs/dbraw/zinc/62/70/20/1195627020.db2.gz PBOMXTZVMXXOJH-BQFCYCMXSA-N 0 3 397.589 0.808 20 0 GCADHN C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000520425459 1195633087 /nfs/dbraw/zinc/63/30/87/1195633087.db2.gz 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ZINC000053028922 1195658999 /nfs/dbraw/zinc/65/89/99/1195658999.db2.gz BMFPLYVLXIMHPV-QGZVFWFLSA-N 0 3 388.578 0.725 20 0 GCADHN Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000328601003 1195659653 /nfs/dbraw/zinc/65/96/53/1195659653.db2.gz DTGZZSPGLNSQNB-UHFFFAOYSA-N 0 3 376.457 0.019 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000330399990 1195687247 /nfs/dbraw/zinc/68/72/47/1195687247.db2.gz DKSNIAKFOWVSCN-MRXNPFEDSA-N 0 3 388.578 0.723 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000330805890 1195708856 /nfs/dbraw/zinc/70/88/56/1195708856.db2.gz LCNBTYDTGGAPAE-INIZCTEOSA-N 0 3 383.514 0.761 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)cc1C(=O)N(C)C ZINC000330824645 1195709372 /nfs/dbraw/zinc/70/93/72/1195709372.db2.gz HARLDAUFVXSRPF-CYBMUJFWSA-N 0 3 385.486 0.348 20 0 GCADHN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CCN(C)C)cc2)CC1 ZINC000331023178 1195715661 /nfs/dbraw/zinc/71/56/61/1195715661.db2.gz LWLFQDZERZYAPR-UHFFFAOYSA-N 0 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ZINC000458983907 1195744804 /nfs/dbraw/zinc/74/48/04/1195744804.db2.gz QSWGVWIJEVTKEQ-SJLPKXTDSA-N 0 3 398.529 0.250 20 0 GCADHN COc1cccc(OC)c1OC[C@H](O)CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC000536361500 1195747522 /nfs/dbraw/zinc/74/75/22/1195747522.db2.gz HJYXQWKGIOJUBL-CYBMUJFWSA-N 0 3 393.440 0.460 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000665050940 1195748449 /nfs/dbraw/zinc/74/84/49/1195748449.db2.gz JBOOAKUKKVHLPX-NVXWUHKLSA-N 0 3 377.489 0.963 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NCCCN1CCCCC1=O)Cc1ccccc1 ZINC000550412140 1195749136 /nfs/dbraw/zinc/74/91/36/1195749136.db2.gz INPGPAVAJDNMAX-SFHVURJKSA-N 0 3 388.512 0.794 20 0 GCADHN CO[C@@H]1COCC[C@H]1CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000459000969 1195749429 /nfs/dbraw/zinc/74/94/29/1195749429.db2.gz KZDJYTSPHJYJBI-NSHGMRRFSA-N 0 3 377.485 0.974 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@]1(C)CNC(=O)C1)CC(C)(C)C ZINC001719866444 1195752470 /nfs/dbraw/zinc/75/24/70/1195752470.db2.gz 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CCc1ncsc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000508372485 1195922143 /nfs/dbraw/zinc/92/21/43/1195922143.db2.gz UPQBEDNJSDOBCL-YHWZYXNKSA-N 0 3 393.513 0.844 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000441839333 1195923898 /nfs/dbraw/zinc/92/38/98/1195923898.db2.gz NYFLIKABGYOMHI-INIZCTEOSA-N 0 3 386.456 0.560 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000520822602 1195926289 /nfs/dbraw/zinc/92/62/89/1195926289.db2.gz XIFFCODXDGRPHZ-UHFFFAOYSA-N 0 3 380.474 0.519 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000520847773 1195927974 /nfs/dbraw/zinc/92/79/74/1195927974.db2.gz RSRIIQQSJFYTOP-BRWVUGGUSA-N 0 3 382.549 0.981 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000441904659 1195932390 /nfs/dbraw/zinc/93/23/90/1195932390.db2.gz HMPVIGHZPCBIET-UHFFFAOYSA-N 0 3 387.440 0.230 20 0 GCADHN CCN1CCN(c2ccc(C(=O)NCc3cn(CC(=O)OC)nn3)cc2)CC1 ZINC000442186775 1195960978 /nfs/dbraw/zinc/96/09/78/1195960978.db2.gz UGYVEBQEQDFHDL-UHFFFAOYSA-N 0 3 386.456 0.523 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000442176608 1195961301 /nfs/dbraw/zinc/96/13/01/1195961301.db2.gz WKNPKZKGYGZUQU-UHFFFAOYSA-N 0 3 396.463 0.685 20 0 GCADHN COCCO[C@H]1COCC[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000521156687 1195969111 /nfs/dbraw/zinc/96/91/11/1195969111.db2.gz RCAWSQGDOSSMAI-JQHSSLGASA-N 0 3 385.505 0.702 20 0 GCADHN C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CCN1C ZINC000442292405 1195972871 /nfs/dbraw/zinc/97/28/71/1195972871.db2.gz MMLUEZKQAQKLCH-IRXDYDNUSA-N 0 3 387.528 0.924 20 0 GCADHN O=C(CCCN1CCN(c2ccccc2)CC1)NCCCN1C(=O)CNC1=O ZINC000521179253 1195973490 /nfs/dbraw/zinc/97/34/90/1195973490.db2.gz ISUUGYASOIILRR-UHFFFAOYSA-N 0 3 387.484 0.647 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1S(N)(=O)=O ZINC000442340049 1195979232 /nfs/dbraw/zinc/97/92/32/1195979232.db2.gz IEFDZCSOFFGZAU-LBPRGKRZSA-N 0 3 380.470 0.348 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC000984137554 1195984539 /nfs/dbraw/zinc/98/45/39/1195984539.db2.gz AMOUBYZMWRJKRP-QHSBEEBCSA-N 0 3 375.473 0.801 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC000984137554 1195984541 /nfs/dbraw/zinc/98/45/41/1195984541.db2.gz AMOUBYZMWRJKRP-QHSBEEBCSA-N 0 3 375.473 0.801 20 0 GCADHN CN(CC1(O)CCC1)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000442429571 1195985375 /nfs/dbraw/zinc/98/53/75/1195985375.db2.gz FARULJWFGZLFSJ-UHFFFAOYSA-N 0 3 376.457 0.867 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N(C)CC3(O)CCC3)cc21 ZINC000442488949 1195988875 /nfs/dbraw/zinc/98/88/75/1195988875.db2.gz SZFVVBASUGJWRR-UHFFFAOYSA-N 0 3 390.440 0.468 20 0 GCADHN COC1(c2nc(Cc3ccccc3)no2)CCN(c2nc(N)nc(N)n2)CC1 ZINC000624191622 1195992865 /nfs/dbraw/zinc/99/28/65/1195992865.db2.gz UFGNCFACMCPMHK-UHFFFAOYSA-N 0 3 382.428 0.813 20 0 GCADHN CC(C)CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001271043776 1195992869 /nfs/dbraw/zinc/99/28/69/1195992869.db2.gz MYDCCEITRWRQLJ-WBTNSWJXSA-N 0 3 382.505 0.720 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000442592630 1195994701 /nfs/dbraw/zinc/99/47/01/1195994701.db2.gz GUHDWCXRHHKXLS-GFCCVEGCSA-N 0 3 390.456 0.979 20 0 GCADHN CN1CCN(CCNC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC1(C)C ZINC000442591205 1195994772 /nfs/dbraw/zinc/99/47/72/1195994772.db2.gz CFTGXXJOIYIAGE-HNNXBMFYSA-N 0 3 389.566 0.126 20 0 GCADHN COCCN(C)CCNC(=O)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000521479988 1195997792 /nfs/dbraw/zinc/99/77/92/1195997792.db2.gz PXZQFTFBSYNPDE-GOSISDBHSA-N 0 3 390.528 0.804 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000521474450 1195998473 /nfs/dbraw/zinc/99/84/73/1195998473.db2.gz ZYGKDMOLPXZQKV-ZACQAIPSSA-N 0 3 378.517 0.836 20 0 GCADHN CS(=O)(=O)c1cccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000895165247 1196003040 /nfs/dbraw/zinc/00/30/40/1196003040.db2.gz FRGNSJHDWBKSQD-DLBZAZTESA-N 0 3 381.498 0.831 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC[C@@H](O)Cn2cccn2)C1=O ZINC000442781670 1196003215 /nfs/dbraw/zinc/00/32/15/1196003215.db2.gz PRMSGXHEXNJBJL-OWCLPIDISA-N 0 3 380.489 0.801 20 0 GCADHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000521585901 1196003792 /nfs/dbraw/zinc/00/37/92/1196003792.db2.gz FDJAGRWVOLVZHK-QSJFSLAZSA-N 0 3 385.530 0.797 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC3(CCOCC3)[C@H]2C)CC1 ZINC000521596862 1196006130 /nfs/dbraw/zinc/00/61/30/1196006130.db2.gz LTWPSYSAQYRQBM-QZTJIDSGSA-N 0 3 394.560 0.794 20 0 GCADHN c1ccc2c(c1)nc(N[C@@H]1CCCN(CCN3CCOCC3)C1)c1nnnn12 ZINC000895167085 1196006744 /nfs/dbraw/zinc/00/67/44/1196006744.db2.gz VBXBXBBTLSCONS-OAHLLOKOSA-N 0 3 382.472 0.881 20 0 GCADHN COC(=O)C1CCN(S(=O)(=O)N2CCNC[C@@H]2c2cccc(F)c2)CC1 ZINC000521625388 1196008558 /nfs/dbraw/zinc/00/85/58/1196008558.db2.gz 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Cc1c(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)cnn1-c1ccccn1 ZINC000443307863 1196038167 /nfs/dbraw/zinc/03/81/67/1196038167.db2.gz ZAXPESDEZZMQOV-MRXNPFEDSA-N 0 3 393.513 0.947 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000522102811 1196044111 /nfs/dbraw/zinc/04/41/11/1196044111.db2.gz FIABAYJEAUXKRJ-SJORKVTESA-N 0 3 393.532 0.726 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N1CC[C@@](C)(C(N)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000280846129 1196048538 /nfs/dbraw/zinc/04/85/38/1196048538.db2.gz XPVXAOMIMDPRPP-NVGCLXPQSA-N 0 3 382.486 0.097 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCOC3CCC3)C2)O1 ZINC001112166201 1196051612 /nfs/dbraw/zinc/05/16/12/1196051612.db2.gz JBZZRVPWFONYQO-YIYPIFLZSA-N 0 3 393.406 0.567 20 0 GCADHN CCOC(=O)C(NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(=O)OCC ZINC000522177527 1196052130 /nfs/dbraw/zinc/05/21/30/1196052130.db2.gz FTPPSGRTVWUYNY-OAHLLOKOSA-N 0 3 377.441 0.905 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCN1CC(=O)N1CCOCC1 ZINC001087610672 1196052682 /nfs/dbraw/zinc/05/26/82/1196052682.db2.gz WYEHRSKXGLTIKX-PNBKFKSVSA-N 0 3 375.473 0.341 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCN1CCCN1C(=O)CNC1=O ZINC001087663143 1196057445 /nfs/dbraw/zinc/05/74/45/1196057445.db2.gz WDIQRYPVVFRZDW-YXISZKLHSA-N 0 3 392.500 0.713 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)CCN1CCCN1C(=O)CNC1=O ZINC001087665966 1196058865 /nfs/dbraw/zinc/05/88/65/1196058865.db2.gz TYRCXFACUJHWII-HPFXQQBRSA-N 0 3 392.500 0.713 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000443489874 1196060931 /nfs/dbraw/zinc/06/09/31/1196060931.db2.gz MUYOHTULUVQUCF-QGZVFWFLSA-N 0 3 395.529 0.006 20 0 GCADHN O=C(CN[C@H](C1CC1)[C@@]1(CO)CCCO1)NCCCN1CCCCCC1=O ZINC000550502826 1196061027 /nfs/dbraw/zinc/06/10/27/1196061027.db2.gz SYDLHDAGTRDSTF-UXHICEINSA-N 0 3 381.517 0.805 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000522220297 1196062804 /nfs/dbraw/zinc/06/28/04/1196062804.db2.gz XJWZINXLYWFNKT-HNNXBMFYSA-N 0 3 387.484 0.494 20 0 GCADHN CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000522227881 1196063752 /nfs/dbraw/zinc/06/37/52/1196063752.db2.gz NSKQGAZSUITHNF-ZDUSSCGKSA-N 0 3 399.513 0.977 20 0 GCADHN O=C(NCc1nnnn1CC1CC1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000474090267 1196069247 /nfs/dbraw/zinc/06/92/47/1196069247.db2.gz RKCIIKXPPUATSQ-MSOLQXFVSA-N 0 3 399.499 0.765 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCN1CCCN1C(=O)CNC1=O ZINC001087734485 1196070827 /nfs/dbraw/zinc/07/08/27/1196070827.db2.gz GPZOEUWFRWRPHG-LJIZCISZSA-N 0 3 378.473 0.465 20 0 GCADHN O=C(CCNC(=O)N[C@H]1CCN(C2CC2)C1)N1CCN(c2ccccn2)CC1 ZINC000522289083 1196072985 /nfs/dbraw/zinc/07/29/85/1196072985.db2.gz NNDUWZHALFSHDV-INIZCTEOSA-N 0 3 386.500 0.656 20 0 GCADHN O=C(CCNC(=O)N[C@@H]1CCN(C2CC2)C1)N1CCN(c2ccccn2)CC1 ZINC000522289084 1196073083 /nfs/dbraw/zinc/07/30/83/1196073083.db2.gz NNDUWZHALFSHDV-MRXNPFEDSA-N 0 3 386.500 0.656 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN(C)S(=O)(=O)c2cccnc2)C[C@H](C)O1 ZINC000443676587 1196088338 /nfs/dbraw/zinc/08/83/38/1196088338.db2.gz UVPHGKXYMUTDHR-IYBDPMFKSA-N 0 3 398.529 0.708 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550573883 1196090618 /nfs/dbraw/zinc/09/06/18/1196090618.db2.gz AKAOZGCCPHJQER-CALCHBBNSA-N 0 3 382.549 0.839 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550573884 1196090638 /nfs/dbraw/zinc/09/06/38/1196090638.db2.gz AKAOZGCCPHJQER-IAGOWNOFSA-N 0 3 382.549 0.839 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CN1C1CC1 ZINC000550582046 1196093835 /nfs/dbraw/zinc/09/38/35/1196093835.db2.gz LMUOKQVKNAAEIR-ZJIFWQFVSA-N 0 3 380.533 0.732 20 0 GCADHN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000114166693 1196095517 /nfs/dbraw/zinc/09/55/17/1196095517.db2.gz 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ZINC000114593277 1196106402 /nfs/dbraw/zinc/10/64/02/1196106402.db2.gz CUYWECLWCIMWGX-UHFFFAOYSA-N 0 3 377.533 0.942 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000114602617 1196106450 /nfs/dbraw/zinc/10/64/50/1196106450.db2.gz WLKIIWNMOWFNIC-OALUTQOASA-N 0 3 376.501 0.334 20 0 GCADHN Cn1cc(CN2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c(=O)n(C)c1=O ZINC000895681268 1196107871 /nfs/dbraw/zinc/10/78/71/1196107871.db2.gz PVFFTXDNGZTNSV-OAQYLSRUSA-N 0 3 398.463 0.088 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)[C@@]3(OC)CCS(=O)(=O)C3)cc2)CC1 ZINC000895715829 1196109358 /nfs/dbraw/zinc/10/93/58/1196109358.db2.gz WWNHWUDMBQNWET-LJQANCHMSA-N 0 3 395.525 0.966 20 0 GCADHN C[C@H](N[C@@H]1C(=O)NCC12CCOCC2)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000895767131 1196111579 /nfs/dbraw/zinc/11/15/79/1196111579.db2.gz WAGROUWTRGMLNG-RRFJBIMHSA-N 0 3 383.489 0.896 20 0 GCADHN C[C@H](N[C@H]1C(=O)NCC12CCOCC2)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000895767130 1196111704 /nfs/dbraw/zinc/11/17/04/1196111704.db2.gz 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CC(=O)N(C)C1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000522442486 1196122093 /nfs/dbraw/zinc/12/20/93/1196122093.db2.gz QQAIJIHMAPDCEW-QGZVFWFLSA-N 0 3 381.521 0.581 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCNC(=O)CC1CCCC1 ZINC000522443812 1196122541 /nfs/dbraw/zinc/12/25/41/1196122541.db2.gz UIRPDTOUGPGQCA-KRWDZBQOSA-N 0 3 395.548 0.925 20 0 GCADHN O=C(NC[C@H](n1cncn1)C(F)(F)F)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000896101761 1196125715 /nfs/dbraw/zinc/12/57/15/1196125715.db2.gz YJIDSPBXKNNMAU-XQQFMLRXSA-N 0 3 376.383 0.622 20 0 GCADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000120067165 1196126791 /nfs/dbraw/zinc/12/67/91/1196126791.db2.gz BSYCKGHVGSYRLB-IRXDYDNUSA-N 0 3 380.514 0.984 20 0 GCADHN Cn1cc(CN2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c(=O)n(C)c1=O ZINC000896167426 1196131516 /nfs/dbraw/zinc/13/15/16/1196131516.db2.gz GXDCARLPMZBRPW-LJQANCHMSA-N 0 3 394.472 0.296 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2CCCN2C(N)=O)c1 ZINC000474611757 1196132176 /nfs/dbraw/zinc/13/21/76/1196132176.db2.gz LZHXMFHCJGXDSV-KRWDZBQOSA-N 0 3 378.473 0.803 20 0 GCADHN CN1CCC[C@@H]1c1cc(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)[nH]n1 ZINC000896228017 1196135746 /nfs/dbraw/zinc/13/57/46/1196135746.db2.gz BDZHNTSYFBWHHA-QGZVFWFLSA-N 0 3 389.504 0.302 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000443764298 1196142170 /nfs/dbraw/zinc/14/21/70/1196142170.db2.gz MMWQPMBZSHUDPJ-IRXDYDNUSA-N 0 3 399.561 0.881 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)CC[N@@H+]1C ZINC001087972256 1196142424 /nfs/dbraw/zinc/14/24/24/1196142424.db2.gz SXPBAOCJBASMTK-FXUDXRNXSA-N 0 3 376.505 0.119 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4nc(=O)n(C)[n-]4)C[C@H]3C2)CC[N@H+]1C ZINC001087972256 1196142428 /nfs/dbraw/zinc/14/24/28/1196142428.db2.gz SXPBAOCJBASMTK-FXUDXRNXSA-N 0 3 376.505 0.119 20 0 GCADHN NC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000474693539 1196143682 /nfs/dbraw/zinc/14/36/82/1196143682.db2.gz DHFMDOWUXZQSCW-KRWDZBQOSA-N 0 3 387.484 0.672 20 0 GCADHN O=C(NCc1ccc(N2CCNC2=O)cc1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000896444148 1196148886 /nfs/dbraw/zinc/14/88/86/1196148886.db2.gz DSVIFWNMXCTWOO-QZTJIDSGSA-N 0 3 387.484 0.957 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12 ZINC000474797587 1196150181 /nfs/dbraw/zinc/15/01/81/1196150181.db2.gz FWZIOMQNOCIGPV-XLMAVXFVSA-N 0 3 397.589 0.854 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000474794308 1196150378 /nfs/dbraw/zinc/15/03/78/1196150378.db2.gz IMESHQLRSQTLDF-IRXDYDNUSA-N 0 3 396.557 0.804 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000474810780 1196151163 /nfs/dbraw/zinc/15/11/63/1196151163.db2.gz MNHOYZVBUNBJLH-UHFFFAOYSA-N 0 3 397.545 0.282 20 0 GCADHN C[C@H](C(=O)N(C)CC(=O)NC(C)(C)CCN1CCN(C)CC1)n1cccn1 ZINC000474812136 1196151365 /nfs/dbraw/zinc/15/13/65/1196151365.db2.gz BMQZABAZAKVZQY-MRXNPFEDSA-N 0 3 378.521 0.435 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)c2)CC1 ZINC000474826977 1196155004 /nfs/dbraw/zinc/15/50/04/1196155004.db2.gz CXHQJMRETURZFB-QGZVFWFLSA-N 0 3 375.473 0.537 20 0 GCADHN COc1cc2c(cc1OC)CN(CC(=O)N1CCO[C@H]3CCN(C)C[C@H]31)CC2 ZINC000329027718 1196157028 /nfs/dbraw/zinc/15/70/28/1196157028.db2.gz OPICNMABKOYYLW-MSOLQXFVSA-N 0 3 389.496 0.993 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)cc1C ZINC000329049327 1196159323 /nfs/dbraw/zinc/15/93/23/1196159323.db2.gz WAELMRALRFBTCL-QZTJIDSGSA-N 0 3 395.525 0.903 20 0 GCADHN O=C([C@@H]1CN2CCN1CCC2)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 ZINC000329104632 1196163933 /nfs/dbraw/zinc/16/39/33/1196163933.db2.gz GSTHZTKSJAANSL-ZWKOTPCHSA-N 0 3 382.468 0.557 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cc1 ZINC000329174366 1196171716 /nfs/dbraw/zinc/17/17/16/1196171716.db2.gz LCFPRFRXQGSXQK-SJORKVTESA-N 0 3 381.498 0.595 20 0 GCADHN O=C(CC(O)CC(=O)N1CCN2CCCC[C@H]2C1)N1CCN2CCCC[C@H]2C1 ZINC000329214856 1196177159 /nfs/dbraw/zinc/17/71/59/1196177159.db2.gz LULJQZXXMTZQPG-ROUUACIJSA-N 0 3 392.544 0.521 20 0 GCADHN Cc1nn(C)c(=O)c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1C ZINC000329224408 1196177591 /nfs/dbraw/zinc/17/75/91/1196177591.db2.gz ZPFBIGRLLJFPJW-GOOCMWNKSA-N 0 3 375.473 0.211 20 0 GCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000896600737 1196179421 /nfs/dbraw/zinc/17/94/21/1196179421.db2.gz XVDXOTXMESFWRS-VXGBXAGGSA-N 0 3 389.378 0.889 20 0 GCADHN CN1CCN(CCOc2ccc(NC(=O)C3CN([C@H]4CCOC4)C3)cc2)CC1 ZINC000896740788 1196202174 /nfs/dbraw/zinc/20/21/74/1196202174.db2.gz IHBSIAXOWMQOIY-IBGZPJMESA-N 0 3 388.512 0.972 20 0 GCADHN CCN1C[C@H](C)N(CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000329581854 1196207070 /nfs/dbraw/zinc/20/70/70/1196207070.db2.gz LIMSCOKIUSHBQW-JYJNAYRXSA-N 0 3 397.545 0.904 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(C3CCOCC3)nn2)CC1 ZINC000329581479 1196207077 /nfs/dbraw/zinc/20/70/77/1196207077.db2.gz QAPZBYVFEVJVGO-MRXNPFEDSA-N 0 3 376.461 0.008 20 0 GCADHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N(C)C ZINC000443833818 1196220280 /nfs/dbraw/zinc/22/02/80/1196220280.db2.gz CRGBAVOLPOMFPE-DYVFJYSZSA-N 0 3 386.456 0.423 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)CC1 ZINC000329682745 1196221382 /nfs/dbraw/zinc/22/13/82/1196221382.db2.gz SQDVPJYQZDNFOV-KRWDZBQOSA-N 0 3 388.468 0.630 20 0 GCADHN CCN(CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)c(OC)c[nH]1 ZINC001719897950 1196223932 /nfs/dbraw/zinc/22/39/32/1196223932.db2.gz PDYRZRMKYUIRRA-NFAWXSAZSA-N 0 3 376.457 0.587 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN1CCCC1=O)C2 ZINC001719897952 1196224119 /nfs/dbraw/zinc/22/41/19/1196224119.db2.gz PGTNJUXEMGJVJJ-OAGGEKHMSA-N 0 3 378.517 0.977 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CC(C)(C)C)C2 ZINC001719898195 1196227660 /nfs/dbraw/zinc/22/76/60/1196227660.db2.gz VEMIYPPVASASQJ-LVQVYYBASA-N 0 3 378.517 0.881 20 0 GCADHN COCCOC1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000522664841 1196227975 /nfs/dbraw/zinc/22/79/75/1196227975.db2.gz FEWORDVKSXBGQB-KRWDZBQOSA-N 0 3 384.521 0.766 20 0 GCADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000329930116 1196240198 /nfs/dbraw/zinc/24/01/98/1196240198.db2.gz ZJXFFDROUQKYNK-JKSUJKDBSA-N 0 3 387.546 0.760 20 0 GCADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000330030057 1196247407 /nfs/dbraw/zinc/24/74/07/1196247407.db2.gz QZUMYTYPTRRJPB-BEFAXECRSA-N 0 3 392.500 0.893 20 0 GCADHN CN1CCN(CC2(C)CCN(S(=O)(=O)c3cnc4n3CCC4)CC2)CC1 ZINC000330027317 1196247622 /nfs/dbraw/zinc/24/76/22/1196247622.db2.gz MXDRZFHNLNZTPZ-UHFFFAOYSA-N 0 3 381.546 0.868 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)CC1 ZINC000330100675 1196253155 /nfs/dbraw/zinc/25/31/55/1196253155.db2.gz DQIWCWBKNBZERA-CVEARBPZSA-N 0 3 394.541 0.453 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@@H]1N1CCCC1 ZINC000330179917 1196258446 /nfs/dbraw/zinc/25/84/46/1196258446.db2.gz MWKUGSXNAXVISX-UONOGXRCSA-N 0 3 389.481 0.686 20 0 GCADHN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C[C@H]1CCOC1 ZINC000330259128 1196261812 /nfs/dbraw/zinc/26/18/12/1196261812.db2.gz NCJMYDBDAWXDFY-OAHLLOKOSA-N 0 3 399.488 0.627 20 0 GCADHN CNC(=O)[C@]1(C)CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000281144609 1196278222 /nfs/dbraw/zinc/27/82/22/1196278222.db2.gz OYOGTBJJGDSDRD-ZJNRKIDTSA-N 0 3 396.513 0.358 20 0 GCADHN CC(C)C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001271279021 1196295859 /nfs/dbraw/zinc/29/58/59/1196295859.db2.gz VUYSKXKYHNEKKH-LSTDLKDCSA-N 0 3 381.517 0.781 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1OCCO ZINC000281512932 1196302389 /nfs/dbraw/zinc/30/23/89/1196302389.db2.gz IRWACQDCBDCPOL-INIZCTEOSA-N 0 3 391.468 0.445 20 0 GCADHN CCN(C(=O)[C@H](C)NC[C@H]1CCCN1c1cccnn1)[C@@H]1CCS(=O)(=O)C1 ZINC000522691001 1196303439 /nfs/dbraw/zinc/30/34/39/1196303439.db2.gz FZIZFZPHYIWJAX-ARFHVFGLSA-N 0 3 395.529 0.459 20 0 GCADHN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000281609558 1196314906 /nfs/dbraw/zinc/31/49/06/1196314906.db2.gz CBRQYASUKPTCSV-XJKSGUPXSA-N 0 3 376.457 0.609 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)nc1 ZINC000281626171 1196316331 /nfs/dbraw/zinc/31/63/31/1196316331.db2.gz AXLHGDIIDKELQR-UHFFFAOYSA-N 0 3 398.533 0.479 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3cc4scnc4[nH]3)C[C@@]2(F)C1=O ZINC001271336267 1196320135 /nfs/dbraw/zinc/32/01/35/1196320135.db2.gz ATSMIVUGBVJOGZ-HZPDHXFCSA-N 0 3 383.424 0.901 20 0 GCADHN CCOC(=O)c1cnn2c1nccc2C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281675762 1196321566 /nfs/dbraw/zinc/32/15/66/1196321566.db2.gz DTKHNPKIZADZEI-UHFFFAOYSA-N 0 3 388.472 0.662 20 0 GCADHN COc1ccc(OC)c(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281727142 1196326346 /nfs/dbraw/zinc/32/63/46/1196326346.db2.gz IXHSAXRBALRQDO-UHFFFAOYSA-N 0 3 378.473 0.785 20 0 GCADHN CN1CCN(CCNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1(C)C ZINC000281797422 1196332645 /nfs/dbraw/zinc/33/26/45/1196332645.db2.gz OPRNPVYSTRXLMI-FQEVSTJZSA-N 0 3 387.484 0.497 20 0 GCADHN CN1CCN(CCNC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1(C)C ZINC000281799046 1196332729 /nfs/dbraw/zinc/33/27/29/1196332729.db2.gz OUBMKJFJSFWUBL-OAQYLSRUSA-N 0 3 388.512 0.536 20 0 GCADHN CN1CCN(CCNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CC1(C)C ZINC000281827146 1196338585 /nfs/dbraw/zinc/33/85/85/1196338585.db2.gz RPZIIUXNVZSXDA-GOSISDBHSA-N 0 3 388.512 0.556 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281868613 1196341493 /nfs/dbraw/zinc/34/14/93/1196341493.db2.gz WCDPTZYAMPTKKD-UHFFFAOYSA-N 0 3 383.514 0.855 20 0 GCADHN Cc1nccc(N2CCN(C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)n1 ZINC000281861030 1196342272 /nfs/dbraw/zinc/34/22/72/1196342272.db2.gz DMKCURCXARSZGP-UHFFFAOYSA-N 0 3 375.521 0.643 20 0 GCADHN COc1cc(OC)cc(C(=O)NCC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281874260 1196343524 /nfs/dbraw/zinc/34/35/24/1196343524.db2.gz WQVKPSJYEXHZHA-UHFFFAOYSA-N 0 3 392.500 0.576 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)C1(C)C ZINC000444117826 1196345374 /nfs/dbraw/zinc/34/53/74/1196345374.db2.gz UIMDLBKSKOKTAA-UZLBHIALSA-N 0 3 391.516 0.921 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)C1(C)C ZINC000444117824 1196345644 /nfs/dbraw/zinc/34/56/44/1196345644.db2.gz UIMDLBKSKOKTAA-OXJNMPFZSA-N 0 3 391.516 0.921 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3nccnc3c2)CC1 ZINC000522829107 1196348861 /nfs/dbraw/zinc/34/88/61/1196348861.db2.gz OWYZLOSOSXKOQH-OAHLLOKOSA-N 0 3 384.484 0.958 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)C1(C)C ZINC000444136658 1196349961 /nfs/dbraw/zinc/34/99/61/1196349961.db2.gz CJQNWDQOKBZNRH-HNAYVOBHSA-N 0 3 379.457 0.708 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)NC[C@@H]1CCN(C3CC3)C1)OCC(=O)N2 ZINC000281935730 1196349986 /nfs/dbraw/zinc/34/99/86/1196349986.db2.gz IGHDGBLALRHGOJ-NSHDSACASA-N 0 3 381.454 0.789 20 0 GCADHN Cc1nnc(CCC(=O)N2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)s1 ZINC001271399680 1196351975 /nfs/dbraw/zinc/35/19/75/1196351975.db2.gz LGPXSOLGYZZSFK-QGZVFWFLSA-N 0 3 381.502 0.171 20 0 GCADHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)CN2CSCC2=O)C1 ZINC000522873706 1196357435 /nfs/dbraw/zinc/35/74/35/1196357435.db2.gz IIOJROGFVIAJLN-AWEZNQCLSA-N 0 3 376.482 0.855 20 0 GCADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4ccccn4)C[C@H]3C2)O1 ZINC001088105064 1196361127 /nfs/dbraw/zinc/36/11/27/1196361127.db2.gz QNLCXOVQXRPUGS-KCITZHQASA-N 0 3 386.496 0.998 20 0 GCADHN O=C(NCc1ccc(C(=O)NCCN2CCCC2)cc1)C(=O)NCC(F)F ZINC000444263627 1196369419 /nfs/dbraw/zinc/36/94/19/1196369419.db2.gz APKIBWCZDUTCOX-UHFFFAOYSA-N 0 3 382.411 0.510 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NCCCN2CCN(C)CC2)ccc1Cl ZINC000049278395 1196372581 /nfs/dbraw/zinc/37/25/81/1196372581.db2.gz RVFDZXMFIVBRAT-UHFFFAOYSA-N 0 3 396.875 0.819 20 0 GCADHN C[C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NC(=O)c1ccccc1 ZINC000103123152 1196373758 /nfs/dbraw/zinc/37/37/58/1196373758.db2.gz ZKDYDFXUZYTRBA-QGZVFWFLSA-N 0 3 386.496 0.962 20 0 GCADHN Cc1cc(C)n(CCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000103297642 1196374572 /nfs/dbraw/zinc/37/45/72/1196374572.db2.gz ZXXNJGBGQYAWIS-UHFFFAOYSA-N 0 3 376.505 0.840 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000103449090 1196375736 /nfs/dbraw/zinc/37/57/36/1196375736.db2.gz SXTQBACQSUMQAP-CYBMUJFWSA-N 0 3 392.422 0.410 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC1 ZINC000103449384 1196375963 /nfs/dbraw/zinc/37/59/63/1196375963.db2.gz XEHRILNXFNHVFM-UHFFFAOYSA-N 0 3 399.499 0.661 20 0 GCADHN CCN(CC)CC(=O)N1CCN([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000103492696 1196376297 /nfs/dbraw/zinc/37/62/97/1196376297.db2.gz DDPUBJQHTJDHRZ-INIZCTEOSA-N 0 3 378.521 0.850 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000103612845 1196376651 /nfs/dbraw/zinc/37/66/51/1196376651.db2.gz BITWUZQUEKRRQD-AWEZNQCLSA-N 0 3 393.454 0.819 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000042870570 1196377139 /nfs/dbraw/zinc/37/71/39/1196377139.db2.gz RHEURSHUXRNSJI-KRWDZBQOSA-N 0 3 380.514 0.420 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC(=O)N2Cc3ccccc3C2)CC1 ZINC000475078582 1196377629 /nfs/dbraw/zinc/37/76/29/1196377629.db2.gz MCWMGBMLMUHZSJ-GOSISDBHSA-N 0 3 399.495 0.477 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cnc1Cl ZINC000760105370 1196390252 /nfs/dbraw/zinc/39/02/52/1196390252.db2.gz TYYHGTSOZJHWDV-UHFFFAOYSA-N 0 3 393.875 0.749 20 0 GCADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(n2ncc3c2CNC3)CC1 ZINC000516275156 1196390701 /nfs/dbraw/zinc/39/07/01/1196390701.db2.gz OPQZHOQZVKHGEE-SNVBAGLBSA-N 0 3 388.394 0.900 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)Cc2nc[nH]c2C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC000985222609 1196391243 /nfs/dbraw/zinc/39/12/43/1196391243.db2.gz SSWHJBLDPPHJJW-ORIJERBGSA-N 0 3 375.473 0.658 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCN(CC3CCOCC3)CC2)C1 ZINC000523009849 1196391366 /nfs/dbraw/zinc/39/13/66/1196391366.db2.gz MKMROQASAGGOFY-GOSISDBHSA-N 0 3 381.517 0.832 20 0 GCADHN COc1nn(C)cc1NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000475293633 1196400837 /nfs/dbraw/zinc/40/08/37/1196400837.db2.gz ADOICDWQIYBDOS-OKILXGFUSA-N 0 3 393.488 0.715 20 0 GCADHN O=S(=O)(NCC1CC1)c1ccc(N2CC[C@H]3[C@H]2CCCN3CCO)nc1 ZINC000897220786 1196405765 /nfs/dbraw/zinc/40/57/65/1196405765.db2.gz DCBJAPMPWQTEDQ-DLBZAZTESA-N 0 3 380.514 0.805 20 0 GCADHN O=S(=O)(NCC1CC1)c1ccc(N2CC[C@@H]3[C@H]2CCCN3CCO)nc1 ZINC000897220787 1196406002 /nfs/dbraw/zinc/40/60/02/1196406002.db2.gz DCBJAPMPWQTEDQ-IAGOWNOFSA-N 0 3 380.514 0.805 20 0 GCADHN COc1ccc([C@H](NC(C)C)C(=O)N(CCO)CCN2CCOCC2)cc1 ZINC000897234248 1196407042 /nfs/dbraw/zinc/40/70/42/1196407042.db2.gz BPPDOQWRDAJLIB-IBGZPJMESA-N 0 3 379.501 0.887 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@H](O)C3)cc21 ZINC000475447379 1196428455 /nfs/dbraw/zinc/42/84/55/1196428455.db2.gz PBWGFLVXVCEYLZ-OCCSQVGLSA-N 0 3 390.440 0.372 20 0 GCADHN CCN1CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000665669123 1196431494 /nfs/dbraw/zinc/43/14/94/1196431494.db2.gz NTZHEMPUGUKHRU-WFASDCNBSA-N 0 3 382.486 0.522 20 0 GCADHN CCN1CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000665669122 1196431744 /nfs/dbraw/zinc/43/17/44/1196431744.db2.gz NTZHEMPUGUKHRU-SWLSCSKDSA-N 0 3 382.486 0.522 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)c3ncnc4ccsc43)C2)OCC1=O ZINC001271577256 1196432301 /nfs/dbraw/zinc/43/23/01/1196432301.db2.gz QHHTXKSCBVXVKL-UHFFFAOYSA-N 0 3 375.454 0.306 20 0 GCADHN CNS(=O)(=O)c1ccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(F)c1 ZINC000301945525 1196436941 /nfs/dbraw/zinc/43/69/41/1196436941.db2.gz ZONKQPPLIROGTG-INIZCTEOSA-N 0 3 384.477 0.652 20 0 GCADHN CCOC(=O)c1cc(F)c(F)cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516665267 1196449188 /nfs/dbraw/zinc/44/91/88/1196449188.db2.gz XEMPYGFFJWULGP-RNCFNFMXSA-N 0 3 382.367 0.917 20 0 GCADHN CN1CCC[C@H]1c1cc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)n[nH]1 ZINC000897295425 1196450326 /nfs/dbraw/zinc/45/03/26/1196450326.db2.gz VEHQDAXQWKCAJT-KRWDZBQOSA-N 0 3 377.489 0.476 20 0 GCADHN CN1CCC[C@H]1c1cc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)[nH]n1 ZINC000897295425 1196450330 /nfs/dbraw/zinc/45/03/30/1196450330.db2.gz VEHQDAXQWKCAJT-KRWDZBQOSA-N 0 3 377.489 0.476 20 0 GCADHN CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000523115500 1196479351 /nfs/dbraw/zinc/47/93/51/1196479351.db2.gz LWSNCZYOEBRNDS-IBGZPJMESA-N 0 3 392.456 0.618 20 0 GCADHN CN(C)C(=O)CN1CC[C@H]2CN(C(=O)Cc3cncc(Cl)n3)C[C@H]2CC1 ZINC001271733201 1196480511 /nfs/dbraw/zinc/48/05/11/1196480511.db2.gz BQDAQDZMLUPWBZ-OKILXGFUSA-N 0 3 379.892 0.931 20 0 GCADHN CN(C)C(=O)Cn1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)nn1 ZINC000444454788 1196491829 /nfs/dbraw/zinc/49/18/29/1196491829.db2.gz PSRFNYYYAZLPSK-UHFFFAOYSA-N 0 3 386.456 0.575 20 0 GCADHN CCN1CCN(c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cc2)CC1 ZINC000114178182 1196495513 /nfs/dbraw/zinc/49/55/13/1196495513.db2.gz PUENCHYIINFNHJ-UHFFFAOYSA-N 0 3 394.541 0.936 20 0 GCADHN O=C(CN(CCO)C1CCOCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000444768004 1196520698 /nfs/dbraw/zinc/52/06/98/1196520698.db2.gz BKLOJVUISDOVIY-UHFFFAOYSA-N 0 3 383.533 0.611 20 0 GCADHN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000897331202 1196524972 /nfs/dbraw/zinc/52/49/72/1196524972.db2.gz OKIKXUIJLUQRAH-GBJTYRQASA-N 0 3 384.477 0.081 20 0 GCADHN CC(=O)N1CCN(c2cccc(NC(=O)NC[C@]3(O)CCN(C)C3)c2)CC1 ZINC000444984634 1196535383 /nfs/dbraw/zinc/53/53/83/1196535383.db2.gz DZNVIZOIFREVMP-LJQANCHMSA-N 0 3 375.473 0.543 20 0 GCADHN Cn1cc(C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)c(=O)[nH]c1=O ZINC000523670330 1196541554 /nfs/dbraw/zinc/54/15/54/1196541554.db2.gz RZMAXJLGVIVDKJ-CYBMUJFWSA-N 0 3 385.424 0.436 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000523660837 1196543868 /nfs/dbraw/zinc/54/38/68/1196543868.db2.gz NVHKGUNIEXBNAS-TWMKSMIVSA-N 0 3 378.517 0.692 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000445148640 1196552532 /nfs/dbraw/zinc/55/25/32/1196552532.db2.gz IGBONGNTBILSGK-NEWSRXKRSA-N 0 3 392.548 0.411 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000523914646 1196567675 /nfs/dbraw/zinc/56/76/75/1196567675.db2.gz JZGVLPZWJMYFHS-KSZLIROESA-N 0 3 397.564 0.728 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1)CN1CCN(C)CC1 ZINC000524034278 1196573095 /nfs/dbraw/zinc/57/30/95/1196573095.db2.gz UPAFZSZPIOBIAV-MRXNPFEDSA-N 0 3 399.499 0.265 20 0 GCADHN Cc1nc(-c2ccc(NC(=O)C(=O)NCCCCN3CCN(C)CC3)cc2)n[nH]1 ZINC000524092593 1196574725 /nfs/dbraw/zinc/57/47/25/1196574725.db2.gz VDWRUECBCBIGMC-UHFFFAOYSA-N 0 3 399.499 0.862 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)cc1C ZINC000524092498 1196576268 /nfs/dbraw/zinc/57/62/68/1196576268.db2.gz PHKKGBBCTPPGLN-UHFFFAOYSA-N 0 3 390.484 0.864 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)NCCc3ncn(C)n3)cc2)CC1 ZINC000445707278 1196587177 /nfs/dbraw/zinc/58/71/77/1196587177.db2.gz MVEOGGQRHYVHFQ-UHFFFAOYSA-N 0 3 385.516 0.995 20 0 GCADHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000445892928 1196597823 /nfs/dbraw/zinc/59/78/23/1196597823.db2.gz GHLLFQVEXCDEQE-ZIAGYGMSSA-N 0 3 399.479 0.884 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1)Cc1ccccc1 ZINC000897344302 1196601142 /nfs/dbraw/zinc/60/11/42/1196601142.db2.gz NFXHJEZIZNQMCR-ZWKOTPCHSA-N 0 3 386.496 0.403 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000524751781 1196619750 /nfs/dbraw/zinc/61/97/50/1196619750.db2.gz DEAIHOYMKJFHSS-UHFFFAOYSA-N 0 3 386.500 0.964 20 0 GCADHN COC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000524811895 1196628956 /nfs/dbraw/zinc/62/89/56/1196628956.db2.gz RZFITGBMZOHSTJ-OAHLLOKOSA-N 0 3 399.488 0.627 20 0 GCADHN Cn1c(=O)oc2cc(NC(=O)NCCCCN3CCN(CCO)CC3)ccc21 ZINC000524896373 1196634569 /nfs/dbraw/zinc/63/45/69/1196634569.db2.gz TYDVSTLHRFISRD-UHFFFAOYSA-N 0 3 391.472 0.643 20 0 GCADHN Cc1cc(N2CCN(C(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)CC2)n2ncnc2n1 ZINC000446366940 1196638551 /nfs/dbraw/zinc/63/85/51/1196638551.db2.gz PEHOCPMOFVQWPR-PTSWNOGYSA-N 0 3 399.499 0.614 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446371017 1196638572 /nfs/dbraw/zinc/63/85/72/1196638572.db2.gz NXUKFKRAQNQTTH-IDHHARJASA-N 0 3 377.489 0.686 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000446380047 1196639041 /nfs/dbraw/zinc/63/90/41/1196639041.db2.gz CZKWYJVCFGFRSK-YYFZDKIDSA-N 0 3 388.468 0.763 20 0 GCADHN COc1cc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)ccc1OCC(N)=O ZINC000446383151 1196639161 /nfs/dbraw/zinc/63/91/61/1196639161.db2.gz SJXUZRCKTKGXFP-ASUYLVSUSA-N 0 3 391.468 0.708 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446371911 1196640511 /nfs/dbraw/zinc/64/05/11/1196640511.db2.gz HHJLRQUUVQGPEX-MDZRGWNJSA-N 0 3 377.489 0.686 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446371908 1196640527 /nfs/dbraw/zinc/64/05/27/1196640527.db2.gz HHJLRQUUVQGPEX-FCEWJHQRSA-N 0 3 377.489 0.686 20 0 GCADHN O=C(NCCNC(=O)c1ccco1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000524982638 1196641358 /nfs/dbraw/zinc/64/13/58/1196641358.db2.gz UTUKROBVZYNPGW-FQEVSTJZSA-N 0 3 386.452 0.946 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc([N-]S(=O)(=O)CCc2ccccc2)cn1 ZINC000525010231 1196644836 /nfs/dbraw/zinc/64/48/36/1196644836.db2.gz NPTWOCMFKNRBGM-UHFFFAOYSA-N 0 3 379.486 0.545 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000446510170 1196646699 /nfs/dbraw/zinc/64/66/99/1196646699.db2.gz INBFCSRYOQTCJH-OAHLLOKOSA-N 0 3 397.497 0.003 20 0 GCADHN CCN1CCN(CCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000525179466 1196654570 /nfs/dbraw/zinc/65/45/70/1196654570.db2.gz CLEFLXHOJQAAFB-UHFFFAOYSA-N 0 3 379.549 0.171 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CCSC1 ZINC000446740666 1196662997 /nfs/dbraw/zinc/66/29/97/1196662997.db2.gz GLYDJWOKLMBYGT-DYVFJYSZSA-N 0 3 381.502 0.412 20 0 GCADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000525313520 1196668308 /nfs/dbraw/zinc/66/83/08/1196668308.db2.gz RQNBPVAYUHIHIN-AWEZNQCLSA-N 0 3 395.481 0.495 20 0 GCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000525313437 1196668392 /nfs/dbraw/zinc/66/83/92/1196668392.db2.gz UOIYHFUFAGUWTA-KBXCAEBGSA-N 0 3 397.479 0.889 20 0 GCADHN COc1ccc([C@H](CCn2cncn2)NC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000446925533 1196682803 /nfs/dbraw/zinc/68/28/03/1196682803.db2.gz PQRNUNBQFCZEFN-SJORKVTESA-N 0 3 380.470 0.821 20 0 GCADHN CN(C)Cc1cccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000525490383 1196685305 /nfs/dbraw/zinc/68/53/05/1196685305.db2.gz UDAWOGODERISTR-UHFFFAOYSA-N 0 3 386.452 0.182 20 0 GCADHN CN(C)Cc1cccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000525495229 1196686912 /nfs/dbraw/zinc/68/69/12/1196686912.db2.gz LTUVBCUWXNQAKF-KRWDZBQOSA-N 0 3 383.514 0.967 20 0 GCADHN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000447033322 1196689148 /nfs/dbraw/zinc/68/91/48/1196689148.db2.gz GQSVYZFTOQBAIW-INIZCTEOSA-N 0 3 398.529 0.895 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(CNS(=O)(=O)CC)cc2)CC1 ZINC000525574022 1196691534 /nfs/dbraw/zinc/69/15/34/1196691534.db2.gz LIWCEJTUBLNTQE-MRXNPFEDSA-N 0 3 396.557 0.882 20 0 GCADHN COc1ccc(C(=O)N2CCC(NC(=O)C[C@@H]3CNCCO3)CC2)c(OC)c1 ZINC000429700815 1196693717 /nfs/dbraw/zinc/69/37/17/1196693717.db2.gz RZSPFAXJKLYYNV-MRXNPFEDSA-N 0 3 391.468 0.803 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000525704390 1196702000 /nfs/dbraw/zinc/70/20/00/1196702000.db2.gz PIOURRRXRDTHAA-GJZGRUSLSA-N 0 3 385.468 0.947 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000525779751 1196709223 /nfs/dbraw/zinc/70/92/23/1196709223.db2.gz BOXXWWSOEPBSKV-LJQANCHMSA-N 0 3 394.560 0.888 20 0 GCADHN Cc1ccc([C@H](CNC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)N(C)C)cc1 ZINC000525802378 1196710824 /nfs/dbraw/zinc/71/08/24/1196710824.db2.gz HSQJJDWMBZHYIQ-KRWDZBQOSA-N 0 3 397.479 0.766 20 0 GCADHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000447428626 1196718009 /nfs/dbraw/zinc/71/80/09/1196718009.db2.gz YUXHYSUVUAHPTN-UHFFFAOYSA-N 0 3 390.488 0.338 20 0 GCADHN CN(C)C(=O)c1cc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)ccn1 ZINC000447429110 1196718100 /nfs/dbraw/zinc/71/81/00/1196718100.db2.gz ULZCXPPWMODPFQ-UHFFFAOYSA-N 0 3 375.473 0.960 20 0 GCADHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C1 ZINC000447419805 1196718928 /nfs/dbraw/zinc/71/89/28/1196718928.db2.gz WNSFNQQLYCMWCX-UHFFFAOYSA-N 0 3 376.457 0.727 20 0 GCADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000525896222 1196724396 /nfs/dbraw/zinc/72/43/96/1196724396.db2.gz GKGAFAWDJYCVPG-UHFFFAOYSA-N 0 3 394.447 0.647 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](C)N2CCN(CC)CC2)C1 ZINC000526050373 1196735582 /nfs/dbraw/zinc/73/55/82/1196735582.db2.gz QISKKDNAHUFBTQ-HZPDHXFCSA-N 0 3 390.550 0.122 20 0 GCADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H](C)N2CCN(CC)CC2)C1 ZINC000526050372 1196735718 /nfs/dbraw/zinc/73/57/18/1196735718.db2.gz QISKKDNAHUFBTQ-HOTGVXAUSA-N 0 3 390.550 0.122 20 0 GCADHN C[C@H](N[C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NC(=O)NCc1ccccc1 ZINC000429718461 1196736171 /nfs/dbraw/zinc/73/61/71/1196736171.db2.gz NDKRZBPZAXLAMH-BPUTZDHNSA-N 0 3 396.513 0.851 20 0 GCADHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000429721683 1196736312 /nfs/dbraw/zinc/73/63/12/1196736312.db2.gz RSVOQWPUOISRRU-CBBWQLFWSA-N 0 3 388.534 0.841 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000526132978 1196744213 /nfs/dbraw/zinc/74/42/13/1196744213.db2.gz DSOYZMJUDGEZLE-UHFFFAOYSA-N 0 3 387.440 0.578 20 0 GCADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000447793214 1196750380 /nfs/dbraw/zinc/75/03/80/1196750380.db2.gz DWLSWMOBYZOBIR-LSDHHAIUSA-N 0 3 391.534 0.532 20 0 GCADHN CCN1CCN(C[C@@H](C)CNc2cc(C)nc3nc(C(=O)OC)nn32)CC1 ZINC000526953042 1196750820 /nfs/dbraw/zinc/75/08/20/1196750820.db2.gz KRZVJNCWDZXBBB-ZDUSSCGKSA-N 0 3 375.477 0.905 20 0 GCADHN Cc1cc(N2CCN(C(=O)CN[C@H](CO)[C@H]3CCCO3)CC2)nc(C(C)C)n1 ZINC000447907684 1196756092 /nfs/dbraw/zinc/75/60/92/1196756092.db2.gz ALGUWRASAFCATE-IAGOWNOFSA-N 0 3 391.516 0.687 20 0 GCADHN C[C@H](N[C@H](CO)[C@H]1CCCO1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000447900409 1196759820 /nfs/dbraw/zinc/75/98/20/1196759820.db2.gz BXXXBHWKEATFOE-IACUBPJLSA-N 0 3 379.413 0.624 20 0 GCADHN CN(C(=O)c1cccc2n[nH]nc21)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000527107501 1196765300 /nfs/dbraw/zinc/76/53/00/1196765300.db2.gz NTRRPEMJPNZRGJ-UHFFFAOYSA-N 0 3 399.499 0.268 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)c2ccccc2O1 ZINC000527147988 1196768062 /nfs/dbraw/zinc/76/80/62/1196768062.db2.gz AUUCRXUYJHRJBJ-INIZCTEOSA-N 0 3 375.425 0.506 20 0 GCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000448032361 1196770095 /nfs/dbraw/zinc/77/00/95/1196770095.db2.gz VHWWLBRQONHAKO-HNNXBMFYSA-N 0 3 381.521 0.485 20 0 GCADHN CCN1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000527224298 1196773677 /nfs/dbraw/zinc/77/36/77/1196773677.db2.gz BEFUSKRCKIIWPH-IAGOWNOFSA-N 0 3 377.537 0.681 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC1(O)CCOCC1 ZINC000527448263 1196785801 /nfs/dbraw/zinc/78/58/01/1196785801.db2.gz NQLFUUWOUHFEKC-UHFFFAOYSA-N 0 3 379.457 0.695 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000448285860 1196789141 /nfs/dbraw/zinc/78/91/41/1196789141.db2.gz QGAAJMJXNBQPHB-WBAXXEDZSA-N 0 3 397.541 0.486 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000448318297 1196789588 /nfs/dbraw/zinc/78/95/88/1196789588.db2.gz CWMYWBJTAJKRCM-OAHLLOKOSA-N 0 3 376.457 0.726 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000448323585 1196792426 /nfs/dbraw/zinc/79/24/26/1196792426.db2.gz YEPYUWXVPAIJDY-INIZCTEOSA-N 0 3 390.484 0.987 20 0 GCADHN COc1ccc(C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)c(Cl)c1 ZINC001271950206 1196795551 /nfs/dbraw/zinc/79/55/51/1196795551.db2.gz PWXANHDOHHQRKW-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN COc1cc(Cl)ccc1C(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001271950856 1196798891 /nfs/dbraw/zinc/79/88/91/1196798891.db2.gz UPYGBXRLKXEKNQ-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N[C@H](CO)[C@H]3CCCO3)cn2)CC1 ZINC000448403695 1196798969 /nfs/dbraw/zinc/79/89/69/1196798969.db2.gz HZHAIXAGHBSNEN-HZPDHXFCSA-N 0 3 392.456 0.149 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)N2CCC(C)(N3CCOCC3)CC2)CC1 ZINC000527660004 1196803342 /nfs/dbraw/zinc/80/33/42/1196803342.db2.gz HLULVKFWFROLFH-UHFFFAOYSA-N 0 3 381.521 0.093 20 0 GCADHN COc1cc(Cl)cc(C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)c1 ZINC001271954388 1196809263 /nfs/dbraw/zinc/80/92/63/1196809263.db2.gz FMIDYTYMYXSFIU-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)Cn3cc(C(C)=O)nn3)cc2)CC1 ZINC000448705626 1196825889 /nfs/dbraw/zinc/82/58/89/1196825889.db2.gz CPBFTFSRSKRJEH-UHFFFAOYSA-N 0 3 384.484 0.935 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000448906456 1196838810 /nfs/dbraw/zinc/83/88/10/1196838810.db2.gz AUVJIOYLOXWSCG-LBPRGKRZSA-N 0 3 394.497 0.482 20 0 GCADHN CCN1C(=O)C[C@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)[C@H]1c1cccnc1 ZINC000448978587 1196843727 /nfs/dbraw/zinc/84/37/27/1196843727.db2.gz XWAVBTAADICPNE-XKGZKEIXSA-N 0 3 387.528 0.991 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CCSC1 ZINC000671071101 1196855036 /nfs/dbraw/zinc/85/50/36/1196855036.db2.gz GUDGASFASGFPBD-IBGZPJMESA-N 0 3 390.509 0.415 20 0 GCADHN O=C(CN[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)N1CCOCC1 ZINC001088387428 1196858829 /nfs/dbraw/zinc/85/88/29/1196858829.db2.gz RCMLDLFEKOFABI-TVFCKZIOSA-N 0 3 379.501 0.774 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(Cn3ccnn3)cc2)CC1 ZINC000528423342 1196859167 /nfs/dbraw/zinc/85/91/67/1196859167.db2.gz NTGNIXSXCNSECG-UHFFFAOYSA-N 0 3 384.484 0.953 20 0 GCADHN C[C@@H](NC(=O)CN1CCC(C)(N2CCOCC2)CC1)C(=O)N1CCCCC1 ZINC000528727316 1196881761 /nfs/dbraw/zinc/88/17/61/1196881761.db2.gz JWZYZJBFUXKUDF-QGZVFWFLSA-N 0 3 380.533 0.690 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000528893515 1196892629 /nfs/dbraw/zinc/89/26/29/1196892629.db2.gz CMHSPIJOZWMJGK-UHFFFAOYSA-N 0 3 375.473 0.951 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CC1 ZINC000120019965 1196898597 /nfs/dbraw/zinc/89/85/97/1196898597.db2.gz UAWYSXJWWNRDMW-AWEZNQCLSA-N 0 3 399.499 0.861 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCc3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000529352218 1196917321 /nfs/dbraw/zinc/91/73/21/1196917321.db2.gz VYTUBGORIISHGG-VXGBXAGGSA-N 0 3 382.367 0.504 20 0 GCADHN CN1c2ccc(C(=O)NC[C@]3(O)CN4CCC3CC4)cc2C(C)(C)S1(=O)=O ZINC000529365688 1196917831 /nfs/dbraw/zinc/91/78/31/1196917831.db2.gz HHMYVTMAWGNLHW-IBGZPJMESA-N 0 3 393.509 0.888 20 0 GCADHN CCN(CC)CC(=O)N1CCN(Cc2nc(-c3ccc(OC)nn3)no2)CC1 ZINC000450353494 1196925301 /nfs/dbraw/zinc/92/53/01/1196925301.db2.gz FXKHMCIPCIPLQU-UHFFFAOYSA-N 0 3 389.460 0.521 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000487533709 1196925507 /nfs/dbraw/zinc/92/55/07/1196925507.db2.gz WEZFTPOYKLILEA-UHFFFAOYSA-N 0 3 387.484 0.631 20 0 GCADHN O=C(NCCc1ccc(OC(F)F)cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000785412830 1196925733 /nfs/dbraw/zinc/92/57/33/1196925733.db2.gz VOSYHZHCDVPRLA-GDBMZVCRSA-N 0 3 397.422 0.926 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(N(C)C)CCC1)C2 ZINC001719904585 1196940789 /nfs/dbraw/zinc/94/07/89/1196940789.db2.gz KIBLLBXYWWBWGL-QXSJWSMHSA-N 0 3 378.517 0.866 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccnc(OCC(F)(F)F)c3)CCN2C1=O ZINC000582372008 1196957445 /nfs/dbraw/zinc/95/74/45/1196957445.db2.gz UEYLTPMIVSSYAC-VXGBXAGGSA-N 0 3 387.362 0.476 20 0 GCADHN CCOC(=O)[C@](C)(O)CN1CC(C)(C)N(C[C@](C)(O)C(=O)OCC)C[C@H]1C ZINC000451078151 1196968654 /nfs/dbraw/zinc/96/86/54/1196968654.db2.gz DIFGATBJZAAREA-ZMYBRWDISA-N 0 3 388.505 0.399 20 0 GCADHN CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC[C@](COC)(C(=O)OC)C2)CC1 ZINC000451331680 1196989016 /nfs/dbraw/zinc/98/90/16/1196989016.db2.gz SKTACUVERRQAHS-LIRRHRJNSA-N 0 3 384.473 0.688 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1-n1nnnc1C ZINC000530567631 1196996779 /nfs/dbraw/zinc/99/67/79/1196996779.db2.gz WHNAMODYLVKKCH-GFCCVEGCSA-N 0 3 387.444 0.376 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000530566962 1196996805 /nfs/dbraw/zinc/99/68/05/1196996805.db2.gz OQZXQOWLIIKIOD-KRWDZBQOSA-N 0 3 388.512 0.958 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000530607329 1196999179 /nfs/dbraw/zinc/99/91/79/1196999179.db2.gz OOXXIBAAEPBIFQ-FUHWJXTLSA-N 0 3 390.532 0.937 20 0 GCADHN CC(C)Cn1c(N)c(C(=O)CN[C@H]([C@@H](CO)C2CC2)C2CC2)c(=O)[nH]c1=O ZINC000451616460 1197002683 /nfs/dbraw/zinc/00/26/83/1197002683.db2.gz VSISWWXBFQPGDJ-BBRMVZONSA-N 0 3 378.473 0.757 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000530661122 1197004990 /nfs/dbraw/zinc/00/49/90/1197004990.db2.gz XTLJGTDPNMJKTA-UHFFFAOYSA-N 0 3 398.529 0.829 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000530682312 1197005246 /nfs/dbraw/zinc/00/52/46/1197005246.db2.gz ABKOMKWJIBLBFR-CQSZACIVSA-N 0 3 396.513 0.771 20 0 GCADHN COc1nn(C)cc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(N(C)C)CCC1)C2 ZINC001719904902 1197013964 /nfs/dbraw/zinc/01/39/64/1197013964.db2.gz XWYNPQAGIYRSAY-YUELXQCFSA-N 0 3 375.473 0.775 20 0 GCADHN Cc1oc(C(=O)NCCCCN2CCN(C)CC2)cc1S(=O)(=O)N(C)C ZINC000530761636 1197014449 /nfs/dbraw/zinc/01/44/49/1197014449.db2.gz NGAOOXCCNQOYTA-UHFFFAOYSA-N 0 3 386.518 0.596 20 0 GCADHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000451786778 1197015464 /nfs/dbraw/zinc/01/54/64/1197015464.db2.gz RKPHUBXLDZYPDH-KGLIPLIRSA-N 0 3 383.470 0.902 20 0 GCADHN CC[C@H](C)N1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000451825885 1197017941 /nfs/dbraw/zinc/01/79/41/1197017941.db2.gz RGMJUMUZQWBATF-KRWDZBQOSA-N 0 3 381.565 0.461 20 0 GCADHN C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000530818554 1197019088 /nfs/dbraw/zinc/01/90/88/1197019088.db2.gz JROHMMLNFDAKBF-TZMCWYRMSA-N 0 3 382.486 0.260 20 0 GCADHN O=C(NCc1nnc2n1CCC2)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000530869259 1197023417 /nfs/dbraw/zinc/02/34/17/1197023417.db2.gz FXDRZZLYHYWKMS-SJORKVTESA-N 0 3 384.484 0.907 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCN(CCn2cncn2)CC1 ZINC000530914683 1197027905 /nfs/dbraw/zinc/02/79/05/1197027905.db2.gz JJAAQWPSJOHJEC-UHFFFAOYSA-N 0 3 376.505 0.457 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C[C@H](C)O1 ZINC000531014040 1197038996 /nfs/dbraw/zinc/03/89/96/1197038996.db2.gz AXWTWLWWSCWDOU-KBPBESRZSA-N 0 3 386.518 0.884 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000531014129 1197039052 /nfs/dbraw/zinc/03/90/52/1197039052.db2.gz GNJGDAJPDKBMOA-SFHVURJKSA-N 0 3 381.477 0.117 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1C(=O)OC ZINC000531044651 1197042033 /nfs/dbraw/zinc/04/20/33/1197042033.db2.gz IDMPXOHBYHWQTL-GFCCVEGCSA-N 0 3 391.424 0.656 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000531088892 1197044889 /nfs/dbraw/zinc/04/48/89/1197044889.db2.gz CLOIKBBPPHIAHQ-ZDUSSCGKSA-N 0 3 376.457 0.809 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000531106480 1197045988 /nfs/dbraw/zinc/04/59/88/1197045988.db2.gz DCACCSNVZXGSHU-GOSISDBHSA-N 0 3 396.532 0.909 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000531143853 1197049118 /nfs/dbraw/zinc/04/91/18/1197049118.db2.gz QACHXZLDDFTSCW-UHFFFAOYSA-N 0 3 399.451 0.374 20 0 GCADHN CN(C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000531161928 1197050109 /nfs/dbraw/zinc/05/01/09/1197050109.db2.gz MWZIXGFMBFVWLF-KRWDZBQOSA-N 0 3 395.525 0.972 20 0 GCADHN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@H]1CCCN1CCCO ZINC000452354842 1197054394 /nfs/dbraw/zinc/05/43/94/1197054394.db2.gz WJDHUIWZBOPDCF-GFCCVEGCSA-N 0 3 394.863 0.901 20 0 GCADHN O=C(NC[C@@H]1CCCCN1CCO)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000452385826 1197055304 /nfs/dbraw/zinc/05/53/04/1197055304.db2.gz DNUIOKZGCYHSCA-ZWKOTPCHSA-N 0 3 375.469 0.377 20 0 GCADHN O=C(Cn1cc(C(=O)NC[C@H]2CCCN2CCCO)cn1)NC1CCCCC1 ZINC000452363232 1197056343 /nfs/dbraw/zinc/05/63/43/1197056343.db2.gz LNMPUYZTKXKJKQ-GOSISDBHSA-N 0 3 391.516 0.909 20 0 GCADHN O=C(N[C@H]1CCCN(CCCO)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000452371481 1197056962 /nfs/dbraw/zinc/05/69/62/1197056962.db2.gz AHSGCDWDNCDTEP-INIZCTEOSA-N 0 3 381.498 0.803 20 0 GCADHN CCOC(=O)c1cnn2c1nccc2C(=O)NC[C@@H]1CCCN1CCCO ZINC000452376633 1197057589 /nfs/dbraw/zinc/05/75/89/1197057589.db2.gz YXQLKTSTTGITOJ-ZDUSSCGKSA-N 0 3 375.429 0.483 20 0 GCADHN C[C@@H]1Cc2cc(C(=O)N[C@H]3CCCN(CCCO)C3)ccc2N1S(C)(=O)=O ZINC000452378714 1197057632 /nfs/dbraw/zinc/05/76/32/1197057632.db2.gz XMBOHTRXLIJCPI-PBHICJAKSA-N 0 3 395.525 0.974 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000531283458 1197062387 /nfs/dbraw/zinc/06/23/87/1197062387.db2.gz YYMBNQREKKNUPX-CQSZACIVSA-N 0 3 376.457 0.550 20 0 GCADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000531484963 1197079537 /nfs/dbraw/zinc/07/95/37/1197079537.db2.gz DXZKXFDESDHZOC-BBWFWOEESA-N 0 3 393.532 0.186 20 0 GCADHN NS(=O)(=O)c1cccc2c1ccnc2C(=O)NC[C@@H]1CCCN1CCCO ZINC000452778421 1197080430 /nfs/dbraw/zinc/08/04/30/1197080430.db2.gz DRCKTTUULIQJGK-ZDUSSCGKSA-N 0 3 392.481 0.459 20 0 GCADHN C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452781820 1197080833 /nfs/dbraw/zinc/08/08/33/1197080833.db2.gz IQSAPBOESCMFTA-JXFKEZNVSA-N 0 3 375.469 0.356 20 0 GCADHN CCN(C)S(=O)(=O)c1ccccc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452785495 1197081674 /nfs/dbraw/zinc/08/16/74/1197081674.db2.gz TWOKLGZPISOWMS-HNNXBMFYSA-N 0 3 383.514 0.904 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)CC1 ZINC000531731310 1197093797 /nfs/dbraw/zinc/09/37/97/1197093797.db2.gz SMZKOAQNCYXXTO-SFHVURJKSA-N 0 3 397.479 0.505 20 0 GCADHN C[C@H](Cc1cnccn1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000453061571 1197095690 /nfs/dbraw/zinc/09/56/90/1197095690.db2.gz DARSBSPJFFMAFD-MRXNPFEDSA-N 0 3 390.513 0.544 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000531763958 1197096263 /nfs/dbraw/zinc/09/62/63/1197096263.db2.gz LVQFQQCIGRPXON-UHFFFAOYSA-N 0 3 385.472 0.350 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c[nH]1 ZINC000531836665 1197098747 /nfs/dbraw/zinc/09/87/47/1197098747.db2.gz BPIYHSXPZPBUEK-AWEZNQCLSA-N 0 3 384.502 0.590 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCCNC(=O)c3cnccn3)C2)CC1 ZINC000531837968 1197100109 /nfs/dbraw/zinc/10/01/09/1197100109.db2.gz JOPFILLWFWVOBN-MRXNPFEDSA-N 0 3 389.504 0.016 20 0 GCADHN C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000375490215 1197100317 /nfs/dbraw/zinc/10/03/17/1197100317.db2.gz HTMHUZGZBRPOMT-HLLBOEOZSA-N 0 3 394.516 0.960 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)N[C@H]3CC(=O)N([C@H]4C[C@H]4C)C3)C2)CC1 ZINC000531838316 1197100378 /nfs/dbraw/zinc/10/03/78/1197100378.db2.gz VUNZWQQIYAPRER-XDNAFOTISA-N 0 3 377.533 0.806 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C2)CC1 ZINC000377434731 1197101234 /nfs/dbraw/zinc/10/12/34/1197101234.db2.gz NRJOYKMOCOQXAE-QRVBRYPASA-N 0 3 392.544 0.783 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000531901030 1197104225 /nfs/dbraw/zinc/10/42/25/1197104225.db2.gz DVOPSKVUQIWUDO-OCCSQVGLSA-N 0 3 382.486 0.005 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc(C(N)=O)c1 ZINC000453629863 1197117128 /nfs/dbraw/zinc/11/71/28/1197117128.db2.gz RCYUNFMUFXHRKG-MRXNPFEDSA-N 0 3 376.457 0.602 20 0 GCADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)C(=O)NC(CO)CO)CC1 ZINC000453693912 1197121363 /nfs/dbraw/zinc/12/13/63/1197121363.db2.gz KWKNRHPGTCKAJV-UHFFFAOYSA-N 0 3 385.848 0.221 20 0 GCADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@H]2CNC(=O)C2)CC1 ZINC000453700507 1197123629 /nfs/dbraw/zinc/12/36/29/1197123629.db2.gz AHRGIIHTOOGPQX-GFCCVEGCSA-N 0 3 394.859 0.756 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000453743684 1197128389 /nfs/dbraw/zinc/12/83/89/1197128389.db2.gz QTCSOQVGDQWGEG-OAHLLOKOSA-N 0 3 376.457 0.969 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453768172 1197129344 /nfs/dbraw/zinc/12/93/44/1197129344.db2.gz UMFAHBNYVRAXHZ-HEHGZKQESA-N 0 3 388.468 0.921 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453768174 1197129548 /nfs/dbraw/zinc/12/95/48/1197129548.db2.gz UMFAHBNYVRAXHZ-WOSRLPQWSA-N 0 3 388.468 0.921 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000532234515 1197130438 /nfs/dbraw/zinc/13/04/38/1197130438.db2.gz VBQWMSBQWBPYGY-INIZCTEOSA-N 0 3 388.468 0.965 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc3ccncc32)CC1 ZINC000532233338 1197130502 /nfs/dbraw/zinc/13/05/02/1197130502.db2.gz OOZPTWZUQQJSFJ-GOSISDBHSA-N 0 3 395.463 0.938 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000532274883 1197133750 /nfs/dbraw/zinc/13/37/50/1197133750.db2.gz NULMLZFVNYYSEI-UHFFFAOYSA-N 0 3 390.488 0.433 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1cc(F)ccc1-n1cccn1 ZINC000453809758 1197134103 /nfs/dbraw/zinc/13/41/03/1197134103.db2.gz VWWJZADRBODDLF-HNNXBMFYSA-N 0 3 389.431 0.913 20 0 GCADHN CN1CCN(CCCCNC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000532277388 1197134122 /nfs/dbraw/zinc/13/41/22/1197134122.db2.gz HXNBSZHTCWQXHC-FQEVSTJZSA-N 0 3 387.484 0.499 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000453807096 1197139133 /nfs/dbraw/zinc/13/91/33/1197139133.db2.gz OVYYVAXZCAPSMN-HNNXBMFYSA-N 0 3 377.441 0.683 20 0 GCADHN Cn1ccnc1-c1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000453808697 1197139770 /nfs/dbraw/zinc/13/97/70/1197139770.db2.gz SBQZRVZCMQPABP-QGZVFWFLSA-N 0 3 385.468 0.989 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000532323274 1197144208 /nfs/dbraw/zinc/14/42/08/1197144208.db2.gz BFPAPBZJBBGDIW-UHFFFAOYSA-N 0 3 398.529 0.328 20 0 GCADHN CCCCn1c2nc(CN3CCN(CC(C)C)CC3)n(C)c2c(=O)[nH]c1=O ZINC000049970741 1197149661 /nfs/dbraw/zinc/14/96/61/1197149661.db2.gz PHYXOOQCAOOOSJ-UHFFFAOYSA-N 0 3 376.505 0.997 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000171340430 1197156872 /nfs/dbraw/zinc/15/68/72/1197156872.db2.gz CNLZKCAKXSNYJU-QWHCGFSZSA-N 0 3 390.406 0.210 20 0 GCADHN CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000666041937 1197160664 /nfs/dbraw/zinc/16/06/64/1197160664.db2.gz VKMIGHWFLUIARW-JZXOWHBKSA-N 0 3 395.525 0.638 20 0 GCADHN CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000666041830 1197160673 /nfs/dbraw/zinc/16/06/73/1197160673.db2.gz AHLGBFHVZVKJIU-VBQJREDUSA-N 0 3 397.497 0.030 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(CCN4CCOCC4)cc3)C[C@@H]21 ZINC000453919027 1197162088 /nfs/dbraw/zinc/16/20/88/1197162088.db2.gz DHIALVMQDSHLGD-MJGOQNOKSA-N 0 3 386.496 0.662 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1(C)C ZINC000262818602 1197168210 /nfs/dbraw/zinc/16/82/10/1197168210.db2.gz XKLYYWOWIWFVDE-YRNRMSPPSA-N 0 3 380.533 0.674 20 0 GCADHN CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000453919960 1197172650 /nfs/dbraw/zinc/17/26/50/1197172650.db2.gz QQKIJPIJCSEUPC-XJKSGUPXSA-N 0 3 394.497 0.939 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000173097950 1197174552 /nfs/dbraw/zinc/17/45/52/1197174552.db2.gz ITASDLQPQRZSIN-CQSZACIVSA-N 0 3 385.534 0.552 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3SCCC(N)=O)C[C@@H]21 ZINC000453921025 1197174908 /nfs/dbraw/zinc/17/49/08/1197174908.db2.gz RXPLVWLIGZNYOU-OCCSQVGLSA-N 0 3 376.482 0.755 20 0 GCADHN O=C(COCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)NCc1cccnc1 ZINC000428522587 1197181603 /nfs/dbraw/zinc/18/16/03/1197181603.db2.gz BMDWLDKETKLPMY-IBGZPJMESA-N 0 3 398.463 0.920 20 0 GCADHN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000174698155 1197181903 /nfs/dbraw/zinc/18/19/03/1197181903.db2.gz PJLHSPZKIWFRRK-HZPDHXFCSA-N 0 3 376.505 0.975 20 0 GCADHN COc1ccc(N2C[C@@H](NC(=O)N[C@@H]3CCCN(CCCO)C3)CC2=O)cc1 ZINC000666090835 1197190292 /nfs/dbraw/zinc/19/02/92/1197190292.db2.gz OZFKGGHTAWQCCW-CVEARBPZSA-N 0 3 390.484 0.947 20 0 GCADHN O=C(NC1CC1)[C@H]1CCCN1CCOCCN1CCC[C@H]1C(=O)NC1CC1 ZINC000178593522 1197195301 /nfs/dbraw/zinc/19/53/01/1197195301.db2.gz PMBMEEUBPSTTKK-HDICACEKSA-N 0 3 378.517 0.489 20 0 GCADHN CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CN(C)C)on1)C2 ZINC001719910027 1197199754 /nfs/dbraw/zinc/19/97/54/1197199754.db2.gz QAYVGFBXBUKENR-UNEWFSDZSA-N 0 3 377.489 0.940 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(=O)NC)CC1)C2 ZINC001719912798 1197206837 /nfs/dbraw/zinc/20/68/37/1197206837.db2.gz SJAUIUSVDLXIML-WCVJEAGWSA-N 0 3 376.501 0.635 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000475757485 1197208472 /nfs/dbraw/zinc/20/84/72/1197208472.db2.gz LTBODVGFHMLUTE-LLVKDONJSA-N 0 3 397.423 0.311 20 0 GCADHN Cc1nc(Cn2cc(C(=O)Nc3cccc(CN4CC[C@H](O)C4)c3)nn2)no1 ZINC000428535050 1197208634 /nfs/dbraw/zinc/20/86/34/1197208634.db2.gz KMTCVOHRTWVNPT-HNNXBMFYSA-N 0 3 383.412 0.837 20 0 GCADHN CN(CC1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)[C@H]1CCN(C)C1=O ZINC001029980179 1197212100 /nfs/dbraw/zinc/21/21/00/1197212100.db2.gz SAOKMOLPQQXTNW-XLAORIBOSA-N 0 3 379.501 0.439 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc(N4CCOCC4)c3)C[C@@H]21 ZINC000453931232 1197223791 /nfs/dbraw/zinc/22/37/91/1197223791.db2.gz NWCJHBSIEWOONE-DYVFJYSZSA-N 0 3 376.432 0.763 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)C[C@H]1N(C)C ZINC000760208609 1197225495 /nfs/dbraw/zinc/22/54/95/1197225495.db2.gz OUIZUHYDLJUWKJ-NWANDNLSSA-N 0 3 375.498 0.829 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cnn(C3CCOCC3)c2)CC1 ZINC000189120107 1197235576 /nfs/dbraw/zinc/23/55/76/1197235576.db2.gz PTGDUMMEIBIHJX-HNNXBMFYSA-N 0 3 385.534 0.539 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cnn(C3CCOCC3)c2)CC1 ZINC000189120123 1197235706 /nfs/dbraw/zinc/23/57/06/1197235706.db2.gz PTGDUMMEIBIHJX-OAHLLOKOSA-N 0 3 385.534 0.539 20 0 GCADHN O=C(Cn1cc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cn1)NC1CC1 ZINC000666209814 1197241462 /nfs/dbraw/zinc/24/14/62/1197241462.db2.gz KVHNEGQMRJOPRE-MRXNPFEDSA-N 0 3 376.461 0.537 20 0 GCADHN C[C@@H](O)CN1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)[C@H](C)C1 ZINC000192826015 1197248787 /nfs/dbraw/zinc/24/87/87/1197248787.db2.gz CGVLVDILXDMDGF-RTBURBONSA-N 0 3 396.576 0.525 20 0 GCADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(S(C)(=O)=O)CC1 ZINC000193330074 1197249657 /nfs/dbraw/zinc/24/96/57/1197249657.db2.gz NZBBAFPYEJGMQR-SJLPKXTDSA-N 0 3 394.541 0.343 20 0 GCADHN COCCNC(=O)Cn1cc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cn1 ZINC000666245794 1197251783 /nfs/dbraw/zinc/25/17/83/1197251783.db2.gz GSZSLWQDALTQEC-INIZCTEOSA-N 0 3 394.476 0.021 20 0 GCADHN COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(OC)cc1 ZINC000610420986 1197254231 /nfs/dbraw/zinc/25/42/31/1197254231.db2.gz KYRUVWPCQDVZIX-WBVHZDCISA-N 0 3 391.468 0.826 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1)N(C)C ZINC000453953793 1197256510 /nfs/dbraw/zinc/25/65/10/1197256510.db2.gz BFDRJWOUVUKAAO-NSHDSACASA-N 0 3 384.864 0.812 20 0 GCADHN O=C(CN1CCN(C(=O)CN2CCCC2)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000532408815 1197262061 /nfs/dbraw/zinc/26/20/61/1197262061.db2.gz AJPQTCVFZRXLLT-SFHVURJKSA-N 0 3 386.496 0.346 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC000666321120 1197262132 /nfs/dbraw/zinc/26/21/32/1197262132.db2.gz MXYJOMDUNABBIS-UHFFFAOYSA-N 0 3 399.517 0.566 20 0 GCADHN Cc1ccc2ncc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)c(=O)n2c1 ZINC000103123178 1197263193 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CC(C)N1CCN([C@@H]2CCN(C(=O)NCCCN(C)S(C)(=O)=O)C2)CC1 ZINC000610731844 1197278957 /nfs/dbraw/zinc/27/89/57/1197278957.db2.gz IWJMRGGVXDGFAQ-MRXNPFEDSA-N 0 3 389.566 0.078 20 0 GCADHN CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CCS(=O)(=O)NC ZINC001708542025 1197279968 /nfs/dbraw/zinc/27/99/68/1197279968.db2.gz SRZKFNVFVSTQJN-CQSZACIVSA-N 0 3 384.550 0.873 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H](C3CCC3)C2)CC1 ZINC000666493958 1197283012 /nfs/dbraw/zinc/28/30/12/1197283012.db2.gz HJOQMVNDYJMJAQ-QGZVFWFLSA-N 0 3 376.501 0.402 20 0 GCADHN CC(C)CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000061186829 1197283945 /nfs/dbraw/zinc/28/39/45/1197283945.db2.gz KBEROYUNMJMUKS-UHFFFAOYSA-N 0 3 380.533 0.500 20 0 GCADHN O=C(COCCOc1ccccc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000487541156 1197286500 /nfs/dbraw/zinc/28/65/00/1197286500.db2.gz YLHNWKDPDUMQAE-UHFFFAOYSA-N 0 3 375.469 0.849 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@@H](N(CCO)CCN2CCCC2=O)C1 ZINC001691533143 1197301316 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377.470 0.930 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000454639486 1197423938 /nfs/dbraw/zinc/42/39/38/1197423938.db2.gz CDRREYHLDRQRAC-JYJNAYRXSA-N 0 3 379.505 0.382 20 0 GCADHN COC[C@]1(C(=O)OC)CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000454649597 1197424300 /nfs/dbraw/zinc/42/43/00/1197424300.db2.gz LCWZPIURPLUZBH-KXBFYZLASA-N 0 3 398.504 0.150 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000532979921 1197424376 /nfs/dbraw/zinc/42/43/76/1197424376.db2.gz CFRXDGLTIWKDMS-OAHLLOKOSA-N 0 3 394.497 0.749 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000532995041 1197425367 /nfs/dbraw/zinc/42/53/67/1197425367.db2.gz MWVIXYJKLHMAHA-CQSZACIVSA-N 0 3 390.440 0.347 20 0 GCADHN O=C(Nc1ccnn1C[C@@H]1CCOC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000532998540 1197425722 /nfs/dbraw/zinc/42/57/22/1197425722.db2.gz UDHWEIDKIPNWBI-JKSUJKDBSA-N 0 3 375.473 0.945 20 0 GCADHN Cc1nc2sccn2c1C(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001272090109 1197442609 /nfs/dbraw/zinc/44/26/09/1197442609.db2.gz WDCUAEJXGPKTMR-UHFFFAOYSA-N 0 3 377.470 0.319 20 0 GCADHN Cn1cnc2cc(S(=O)(=O)N3CCN(C(=O)CN4CCCC4)CC3)ccc21 ZINC000533309021 1197444598 /nfs/dbraw/zinc/44/45/98/1197444598.db2.gz QBMCIUHUKRVBMC-UHFFFAOYSA-N 0 3 391.497 0.502 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)c(F)c1 ZINC000130260025 1197444634 /nfs/dbraw/zinc/44/46/34/1197444634.db2.gz FWORPSRKMLJQDE-UHFFFAOYSA-N 0 3 380.464 0.579 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000533355823 1197447576 /nfs/dbraw/zinc/44/75/76/1197447576.db2.gz UFUTVDDAVSKFQE-AWEZNQCLSA-N 0 3 395.485 0.152 20 0 GCADHN C[C@H](CNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000533586506 1197460267 /nfs/dbraw/zinc/46/02/67/1197460267.db2.gz LZEMEBHWIUEHPA-OAHLLOKOSA-N 0 3 382.530 0.666 20 0 GCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000246338039 1197464848 /nfs/dbraw/zinc/46/48/48/1197464848.db2.gz DKSNYNSYYHEMGC-FUHWJXTLSA-N 0 3 383.452 0.298 20 0 GCADHN CCCOc1ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)cc1 ZINC001211998205 1197465423 /nfs/dbraw/zinc/46/54/23/1197465423.db2.gz IAOYYDBCGJZUTA-SMDDNHRTSA-N 0 3 375.429 0.775 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccccc2-c2cnco2)no1)C(N)=O ZINC001211998232 1197465476 /nfs/dbraw/zinc/46/54/76/1197465476.db2.gz JGYFJHQEVFDPQX-GXFFZTMASA-N 0 3 384.396 0.642 20 0 GCADHN COc1c(F)c(F)ccc1-c1noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001211998122 1197465486 /nfs/dbraw/zinc/46/54/86/1197465486.db2.gz CZAVQSLTNPLXEJ-OIBJUYFYSA-N 0 3 383.355 0.273 20 0 GCADHN COc1cc(F)c(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)cc1OC ZINC001211998279 1197465502 /nfs/dbraw/zinc/46/55/02/1197465502.db2.gz LPHDLDWEOMUKPC-GZMMTYOYSA-N 0 3 395.391 0.143 20 0 GCADHN COc1cc(Cl)cc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c1 ZINC001211998535 1197465933 /nfs/dbraw/zinc/46/59/33/1197465933.db2.gz UDVZCTQIPPSNMG-QPUJVOFHSA-N 0 3 381.820 0.649 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cc(F)c(Cl)cc2F)no1)C(N)=O ZINC001211998743 1197466240 /nfs/dbraw/zinc/46/62/40/1197466240.db2.gz ZLZBIYWYKZOLHQ-UPONEAKYSA-N 0 3 387.774 0.918 20 0 GCADHN CN(C)CCn1cc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)ccc1=O ZINC000533689905 1197467660 /nfs/dbraw/zinc/46/76/60/1197467660.db2.gz STKDUZCGMKIAQS-UHFFFAOYSA-N 0 3 392.481 0.913 20 0 GCADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069855822 1197468845 /nfs/dbraw/zinc/46/88/45/1197468845.db2.gz CTBWQTQKIGDUGV-CHWSQXEVSA-N 0 3 380.411 0.807 20 0 GCADHN O=C(CN1CCC[C@@H](CN2CCOCC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000069803501 1197469072 /nfs/dbraw/zinc/46/90/72/1197469072.db2.gz XMPVDUWOFPZSKN-KRWDZBQOSA-N 0 3 378.517 0.111 20 0 GCADHN COc1cncc(-c2noc([C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)n2)c1 ZINC001212000329 1197469442 /nfs/dbraw/zinc/46/94/42/1197469442.db2.gz DNTBRPTXDLLNGG-HOTGVXAUSA-N 0 3 399.407 0.565 20 0 GCADHN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)c1nc(-c2cc(F)ccn2)no1 ZINC001212000679 1197470056 /nfs/dbraw/zinc/47/00/56/1197470056.db2.gz RWJSNASGZCAORD-ZFWWWQNUSA-N 0 3 387.371 0.696 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H](O)CN2CCOCC2)CN1Cc1ccccc1 ZINC000246587156 1197472743 /nfs/dbraw/zinc/47/27/43/1197472743.db2.gz PDNKTELJTGCAFE-MISYRCLQSA-N 0 3 390.528 0.984 20 0 GCADHN COCCOc1ccc(-c2noc([C@H](C)NC(=O)CN)n2)cc1OCCOC ZINC001212020623 1197474362 /nfs/dbraw/zinc/47/43/62/1197474362.db2.gz QIKVAZOHNPQHIB-LBPRGKRZSA-N 0 3 394.428 0.923 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000248851743 1197480123 /nfs/dbraw/zinc/48/01/23/1197480123.db2.gz OVDDPORUTDFNBL-RLLQIKCJSA-N 0 3 390.528 0.841 20 0 GCADHN CC(C)Oc1ccc([C@@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)C)cc1 ZINC000614875676 1197482998 /nfs/dbraw/zinc/48/29/98/1197482998.db2.gz PUZTUKNMUIFGKJ-MRXNPFEDSA-N 0 3 386.518 0.589 20 0 GCADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCCCCCC1 ZINC001482750920 1197486702 /nfs/dbraw/zinc/48/67/02/1197486702.db2.gz CDUBQBDBQNOSOS-LSTDLKDCSA-N 0 3 381.517 0.661 20 0 GCADHN COc1nccc(C)c1-c1noc([C@@H]2CCCN2C(=O)[C@@H](N)CCC(N)=O)n1 ZINC001212076545 1197501716 /nfs/dbraw/zinc/50/17/16/1197501716.db2.gz HQCFTLUUQOVXPH-RYUDHWBXSA-N 0 3 388.428 0.705 20 0 GCADHN CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C)n[nH]1 ZINC000988753485 1197503028 /nfs/dbraw/zinc/50/30/28/1197503028.db2.gz BEWUKSRMTORGEM-VWPFQQQWSA-N 0 3 377.489 0.971 20 0 GCADHN Cc1nc(CC(=O)N[C@@H]2CN(C[C@H]3[C@H](c4ccccc4)C3(F)F)C[C@@H]2O)n[nH]1 ZINC001083452602 1197510485 /nfs/dbraw/zinc/51/04/85/1197510485.db2.gz RMGHIGGOLFIGAV-KRXQYRFLSA-N 0 3 391.422 0.866 20 0 GCADHN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)C1 ZINC000367059271 1197512177 /nfs/dbraw/zinc/51/21/77/1197512177.db2.gz DCMOSFONTRYYCS-GUDVDZBRSA-N 0 3 391.560 0.215 20 0 GCADHN O=S(=O)(N1CCC2(CC1)OCCO2)N1CCNC[C@H]1c1cccc(F)c1 ZINC000261728721 1197512625 /nfs/dbraw/zinc/51/26/25/1197512625.db2.gz OEFLNVSYJMXTMA-INIZCTEOSA-N 0 3 385.461 0.856 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000261773602 1197513906 /nfs/dbraw/zinc/51/39/06/1197513906.db2.gz ZJEMBRGYLHPLHP-MRXNPFEDSA-N 0 3 380.514 0.333 20 0 GCADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000162193880 1197514594 /nfs/dbraw/zinc/51/45/94/1197514594.db2.gz SGUADYLFEBXCKJ-QYZOEREBSA-N 0 3 394.560 0.936 20 0 GCADHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)c1 ZINC000261966269 1197520828 /nfs/dbraw/zinc/52/08/28/1197520828.db2.gz AYYAIHUXPSSPGK-LRDDRELGSA-N 0 3 384.502 0.801 20 0 GCADHN O=C(CCN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCNCC1 ZINC000261984769 1197521572 /nfs/dbraw/zinc/52/15/72/1197521572.db2.gz CILYGANASJQFQY-UHFFFAOYSA-N 0 3 398.504 0.344 20 0 GCADHN O=C(CCN1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CCNCC1 ZINC000262000045 1197522147 /nfs/dbraw/zinc/52/21/47/1197522147.db2.gz DKGUUYQIPQMIJR-UHFFFAOYSA-N 0 3 390.513 0.738 20 0 GCADHN Cc1cccc(NC(=O)N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)c1 ZINC000262111717 1197525156 /nfs/dbraw/zinc/52/51/56/1197525156.db2.gz MREPHCONQBMIIG-KRWDZBQOSA-N 0 3 375.473 0.771 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000262196862 1197527034 /nfs/dbraw/zinc/52/70/34/1197527034.db2.gz RYSCRCCTXOJMQL-INIZCTEOSA-N 0 3 380.876 0.724 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000262233611 1197527663 /nfs/dbraw/zinc/52/76/63/1197527663.db2.gz VOMAJVMFFJYMNO-SFHVURJKSA-N 0 3 392.475 0.780 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262303583 1197529204 /nfs/dbraw/zinc/52/92/04/1197529204.db2.gz BXFFYDQYKQFYNM-MJGOQNOKSA-N 0 3 386.496 0.170 20 0 GCADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)CC2 ZINC000611658607 1197533707 /nfs/dbraw/zinc/53/37/07/1197533707.db2.gz WMDTVWZRRBBFAA-LSDHHAIUSA-N 0 3 392.504 0.092 20 0 GCADHN CCN1CCCN([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000265799944 1197548936 /nfs/dbraw/zinc/54/89/36/1197548936.db2.gz BOCXLFGVEXCIIE-CABCVRRESA-N 0 3 382.530 0.927 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)NCc1cc(F)ccc1N1CCOCC1 ZINC000508708987 1197556417 /nfs/dbraw/zinc/55/64/17/1197556417.db2.gz FNVLCYWGNIVWRF-UHFFFAOYSA-N 0 3 392.475 0.833 20 0 GCADHN Cc1c(C(=O)NCCN(C)Cc2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000162754422 1197569704 /nfs/dbraw/zinc/56/97/04/1197569704.db2.gz WYXNPPAYDGYAIN-UHFFFAOYSA-N 0 3 395.463 0.802 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)NCC(=O)Nc1cc(C)ccc1OC ZINC000429768466 1197576278 /nfs/dbraw/zinc/57/62/78/1197576278.db2.gz GZTNRTSEHCFDJI-UONOGXRCSA-N 0 3 376.457 0.563 20 0 GCADHN COCCN1CC[C@H](NC(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)C1 ZINC000455832976 1197579467 /nfs/dbraw/zinc/57/94/67/1197579467.db2.gz XMXQXUAQXWKPTG-ZDUSSCGKSA-N 0 3 386.474 0.909 20 0 GCADHN Cc1nn[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C(C)C)CCO1)C2 ZINC000999553232 1198948329 /nfs/dbraw/zinc/94/83/29/1198948329.db2.gz GSLDICZWTRQCQF-CBBWQLFWSA-N 0 3 376.461 0.084 20 0 GCADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC000999793672 1198972747 /nfs/dbraw/zinc/97/27/47/1198972747.db2.gz QSGUVBOFLPROQQ-QBYUYEEZSA-N 0 3 375.473 0.814 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1CC(N)=O)C2)N(C)C ZINC000999786306 1198977260 /nfs/dbraw/zinc/97/72/60/1198977260.db2.gz QWZLUGHWAWLFIH-BEAPCOKYSA-N 0 3 376.457 0.509 20 0 GCADHN COC(=O)[C@@H](C)Oc1ccccc1CNCCN1CCN(S(C)(=O)=O)CC1 ZINC000921687602 1198982622 /nfs/dbraw/zinc/98/26/22/1198982622.db2.gz IACXYKVOTKUSJJ-OAHLLOKOSA-N 0 3 399.513 0.294 20 0 GCADHN COC(=O)[C@H](C)Oc1ccccc1CNCCN1CCN(S(C)(=O)=O)CC1 ZINC000921687600 1198982656 /nfs/dbraw/zinc/98/26/56/1198982656.db2.gz IACXYKVOTKUSJJ-HNNXBMFYSA-N 0 3 399.513 0.294 20 0 GCADHN Cc1nc2ccnn2cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCN1C ZINC000999947332 1198988067 /nfs/dbraw/zinc/98/80/67/1198988067.db2.gz JMRPMLJVIJCHGZ-IWCQGFGOSA-N 0 3 382.468 0.994 20 0 GCADHN O=C(NCc1cn([C@@H]2CCN(CCn3cccn3)C2)nn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001000012370 1198989895 /nfs/dbraw/zinc/98/98/95/1198989895.db2.gz CEIFKMHINDWCMZ-QKDSSNGWSA-N 0 3 397.483 0.461 20 0 GCADHN CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000765827222 1198990033 /nfs/dbraw/zinc/99/00/33/1198990033.db2.gz ZLGQGWJFTGCCEM-GJZGRUSLSA-N 0 3 389.566 0.311 20 0 GCADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000056168643 1199006845 /nfs/dbraw/zinc/00/68/45/1199006845.db2.gz FYZBDPNHIOBKNM-YOEHRIQHSA-N 0 3 380.514 0.854 20 0 GCADHN C[C@@H](CNC(=O)NCc1cccc(S(N)(=O)=O)c1)CN1CCN(C)CC1 ZINC000465655091 1199010144 /nfs/dbraw/zinc/01/01/44/1199010144.db2.gz JGXAKYBRXDDVKY-AWEZNQCLSA-N 0 3 383.518 0.017 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000465659957 1199010639 /nfs/dbraw/zinc/01/06/39/1199010639.db2.gz MSRHPCPGZKVQBU-HNNXBMFYSA-N 0 3 384.502 0.586 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC2CCN(C(=O)COC)CC2)CC1 ZINC000465655334 1199011240 /nfs/dbraw/zinc/01/12/40/1199011240.db2.gz DZIYPQISCYEOHC-INIZCTEOSA-N 0 3 383.537 0.197 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCCN(C)S(=O)(=O)CC)CC1 ZINC000465674511 1199018352 /nfs/dbraw/zinc/01/83/52/1199018352.db2.gz DGSCLWNHDPDCSO-INIZCTEOSA-N 0 3 391.582 0.231 20 0 GCADHN CN1CCC(O)(C(=O)N2CCCC[C@@]23CC(=O)N(CC(F)(F)F)C3)CC1 ZINC001272836096 1199023226 /nfs/dbraw/zinc/02/32/26/1199023226.db2.gz IICAVXJAVFLXOH-HNNXBMFYSA-N 0 3 377.407 0.989 20 0 GCADHN CCN(CCCNC(=O)NC[C@H](C)CN1CCN(CC)CC1)S(C)(=O)=O ZINC000465706575 1199025329 /nfs/dbraw/zinc/02/53/29/1199025329.db2.gz YMBSJYNPNGPMBO-INIZCTEOSA-N 0 3 391.582 0.231 20 0 GCADHN COc1cccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)c1 ZINC000672041917 1199029070 /nfs/dbraw/zinc/02/90/70/1199029070.db2.gz VYMLOEHLQDLOOS-IAGOWNOFSA-N 0 3 386.496 0.991 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000172570516 1199036182 /nfs/dbraw/zinc/03/61/82/1199036182.db2.gz CKFOYCOVDMAQCN-CYBMUJFWSA-N 0 3 375.408 0.731 20 0 GCADHN CC(=O)SC[C@@H](C)C(=O)N1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272879937 1199053027 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C[C@@H](NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CN(C)CCO1 ZINC000673096080 1199417729 /nfs/dbraw/zinc/41/77/29/1199417729.db2.gz XCQKSKFPMPVHFW-QAPCUYQASA-N 0 3 388.512 0.037 20 0 GCADHN CN(C(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CC1 ZINC001272978894 1199419396 /nfs/dbraw/zinc/41/93/96/1199419396.db2.gz IAVGEIUQZHRCRJ-LKCYJCQHSA-N 0 3 379.501 0.629 20 0 GCADHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2cnnn2C)CC1 ZINC000682260323 1199453558 /nfs/dbraw/zinc/45/35/58/1199453558.db2.gz RIVRXDPIANRSBQ-UHFFFAOYSA-N 0 3 378.502 0.431 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CN(C)CCO1 ZINC000673174329 1199462512 /nfs/dbraw/zinc/46/25/12/1199462512.db2.gz FHRXMQNPAUFOBB-FPAYPSAMSA-N 0 3 388.512 0.458 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CN(C)CCO1 ZINC000673174332 1199463826 /nfs/dbraw/zinc/46/38/26/1199463826.db2.gz FHRXMQNPAUFOBB-ZAWLATJESA-N 0 3 388.512 0.458 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc4ccnn42)C3)C1 ZINC001003284713 1199482531 /nfs/dbraw/zinc/48/25/31/1199482531.db2.gz CTNHBIODKXMHES-JJXSEGSLSA-N 0 3 382.468 0.933 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000466146117 1199494858 /nfs/dbraw/zinc/49/48/58/1199494858.db2.gz PBHOETQNQZDEPB-MRXNPFEDSA-N 0 3 379.549 0.960 20 0 GCADHN C[C@H]1[C@@H](NC(=O)N(CCO)CCN2CCOCC2)CCN1Cc1ccccc1 ZINC000673236309 1199495083 /nfs/dbraw/zinc/49/50/83/1199495083.db2.gz UJQMOPWUYILMBG-ICSRJNTNSA-N 0 3 390.528 0.986 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1 ZINC000466145354 1199496058 /nfs/dbraw/zinc/49/60/58/1199496058.db2.gz ZHRGOKQMIMCTMC-SFHVURJKSA-N 0 3 391.564 0.521 20 0 GCADHN CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cncn2)c1 ZINC001003362142 1199510911 /nfs/dbraw/zinc/51/09/11/1199510911.db2.gz RPGAYFUONAITDI-KURKYZTESA-N 0 3 382.468 0.902 20 0 GCADHN NC(=O)c1csc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)c1 ZINC001003385074 1199517446 /nfs/dbraw/zinc/51/74/46/1199517446.db2.gz IKTRXWQOOBQPHR-MCIONIFRSA-N 0 3 376.482 0.805 20 0 GCADHN CCN1CCN(CCNC(=O)CCNC(=O)N(C)Cc2ccccc2)CC1 ZINC000067483400 1199526041 /nfs/dbraw/zinc/52/60/41/1199526041.db2.gz VWRGZARZTNZXKW-UHFFFAOYSA-N 0 3 375.517 0.972 20 0 GCADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000673330365 1199543261 /nfs/dbraw/zinc/54/32/61/1199543261.db2.gz ZOOYADRGNISUTH-LJQANCHMSA-N 0 3 389.496 0.489 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN(C)C1CCC1 ZINC001003546291 1199587164 /nfs/dbraw/zinc/58/71/64/1199587164.db2.gz ZTTNDTHBRHNQMA-ZJPYXAASSA-N 0 3 376.501 0.730 20 0 GCADHN CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCN(C)CCOC)cc(C3CC3)nc21 ZINC000068321771 1199601165 /nfs/dbraw/zinc/60/11/65/1199601165.db2.gz WSXJETAOMDVSDA-UHFFFAOYSA-N 0 3 389.456 0.290 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001003633710 1199607717 /nfs/dbraw/zinc/60/77/17/1199607717.db2.gz SLXQCFBKNMWZRJ-XLAORIBOSA-N 0 3 379.501 0.487 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1)C1=CCN(C)CC1 ZINC000673417933 1199613605 /nfs/dbraw/zinc/61/36/05/1199613605.db2.gz HCUUOUQAADAIIA-DZGCQCFKSA-N 0 3 375.448 0.682 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1COC)C2)N(C)C ZINC001003649551 1199614567 /nfs/dbraw/zinc/61/45/67/1199614567.db2.gz AJBPBZVDGNLRLQ-IRWJRLHMSA-N 0 3 377.489 0.768 20 0 GCADHN CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cn1 ZINC000265842878 1199614701 /nfs/dbraw/zinc/61/47/01/1199614701.db2.gz UPQQRARLTBOKOI-UHFFFAOYSA-N 0 3 394.497 0.901 20 0 GCADHN COC1(OC)CC(C(=O)N2C[C@@]3(F)C(=O)N(CCN(C)C)C[C@@]3(F)C2)C1 ZINC001272999854 1199623846 /nfs/dbraw/zinc/62/38/46/1199623846.db2.gz KWFHXGLVEATDOC-NVXWUHKLSA-N 0 3 375.416 0.048 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n(C)cn1)C2)N(C)C ZINC001003686733 1199629454 /nfs/dbraw/zinc/62/94/54/1199629454.db2.gz QUIBLTNPNGXZLM-LNCBFAARSA-N 0 3 375.473 0.228 20 0 GCADHN Cn1cnc2cncc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@@H]3CCCN3C)c21 ZINC001003690039 1199631139 /nfs/dbraw/zinc/63/11/39/1199631139.db2.gz WBOCLPXGDJTCLZ-IRWJRLHMSA-N 0 3 382.468 0.924 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCN2CCCCC2)[C@@H](C)O)cc1 ZINC000499735526 1199680039 /nfs/dbraw/zinc/68/00/39/1199680039.db2.gz SDEKKQPAECZUCW-NVXWUHKLSA-N 0 3 383.514 0.625 20 0 GCADHN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@@H](CO)CN1CCCCC1 ZINC000673464075 1199682773 /nfs/dbraw/zinc/68/27/73/1199682773.db2.gz IZNUQPICHAFAJC-OAHLLOKOSA-N 0 3 378.864 0.957 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O ZINC000069527916 1199703467 /nfs/dbraw/zinc/70/34/67/1199703467.db2.gz MFCAHBJZZCJZHI-MAUKXSAKSA-N 0 3 387.484 0.974 20 0 GCADHN CCc1c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000158203844 1199715678 /nfs/dbraw/zinc/71/56/78/1199715678.db2.gz IYYWNIZTDMYVGU-VXGBXAGGSA-N 0 3 385.468 0.550 20 0 GCADHN C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673505013 1199716761 /nfs/dbraw/zinc/71/67/61/1199716761.db2.gz SQWBPZJHXKZHMI-IHRRRGAJSA-N 0 3 391.472 0.277 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CN1C1CC1 ZINC000130211870 1199720977 /nfs/dbraw/zinc/72/09/77/1199720977.db2.gz JJPGTENISJHVKO-IRXDYDNUSA-N 0 3 377.533 0.951 20 0 GCADHN C[C@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2 ZINC001003950532 1199722034 /nfs/dbraw/zinc/72/20/34/1199722034.db2.gz JTADVFNEKMIGIM-JJXSEGSLSA-N 0 3 377.489 0.134 20 0 GCADHN O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673514026 1199722728 /nfs/dbraw/zinc/72/27/28/1199722728.db2.gz UZAOKQJEUBTPPL-ILXRZTDVSA-N 0 3 399.538 0.569 20 0 GCADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673516775 1199725694 /nfs/dbraw/zinc/72/56/94/1199725694.db2.gz SMLLETPDEKNAJF-HZPDHXFCSA-N 0 3 381.498 0.195 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H](N3CC[C@@H](O)C3)C1)C2=O ZINC000673517747 1199727058 /nfs/dbraw/zinc/72/70/58/1199727058.db2.gz OCOYQGUODVVNNL-QNBXZPKWSA-N 0 3 392.500 0.545 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000673521051 1199727988 /nfs/dbraw/zinc/72/79/88/1199727988.db2.gz IZDXSAZMRGMXFA-KRWDZBQOSA-N 0 3 391.493 0.817 20 0 GCADHN O=C([C@H](c1cccc(F)c1)N1CCOCC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673513712 1199728346 /nfs/dbraw/zinc/72/83/46/1199728346.db2.gz JYCCAYFDAIYZRA-QRVBRYPASA-N 0 3 377.460 0.867 20 0 GCADHN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC000673515615 1199729307 /nfs/dbraw/zinc/72/93/07/1199729307.db2.gz DBCBZDJBJZRORK-HOTGVXAUSA-N 0 3 381.498 0.654 20 0 GCADHN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H](CO)CN(C)C)cc1 ZINC000673522330 1199733919 /nfs/dbraw/zinc/73/39/19/1199733919.db2.gz GPULGGNLRKAQIL-CYBMUJFWSA-N 0 3 379.486 0.715 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000673530430 1199735406 /nfs/dbraw/zinc/73/54/06/1199735406.db2.gz GVUKFHBMBVDUOX-SJLPKXTDSA-N 0 3 395.525 0.803 20 0 GCADHN C[C@H](C(=O)N[C@H](CO)CN1CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000673530015 1199735695 /nfs/dbraw/zinc/73/56/95/1199735695.db2.gz BMNUOHYLQSJKLF-AEFFLSMTSA-N 0 3 378.492 0.909 20 0 GCADHN COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H](CO)CN2CCCC2)CC1=O ZINC000673533456 1199741796 /nfs/dbraw/zinc/74/17/96/1199741796.db2.gz MYOVWGFZACIXNC-JKSUJKDBSA-N 0 3 375.469 0.929 20 0 GCADHN Cc1ncc2n1C[C@@H](C(=O)N[C@@H]1CCCN(CCN3CCOCC3)C1)CC2 ZINC000922347857 1199743661 /nfs/dbraw/zinc/74/36/61/1199743661.db2.gz ZRRGCBTWCVJOFC-ZWKOTPCHSA-N 0 3 375.517 0.667 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCC(=O)N2)C3)CC1 ZINC001004008738 1199747001 /nfs/dbraw/zinc/74/70/01/1199747001.db2.gz DPYZTHXQGLFILS-VQHPVUNQSA-N 0 3 376.501 0.635 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001004025961 1199754420 /nfs/dbraw/zinc/75/44/20/1199754420.db2.gz SJTZFIXGASYSOJ-TVFCKZIOSA-N 0 3 376.501 0.589 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCN(C)C)cc1S(=O)(=O)NC(C)(C)C ZINC000265859296 1199763516 /nfs/dbraw/zinc/76/35/16/1199763516.db2.gz STDBVIFEFIGOAD-UHFFFAOYSA-N 0 3 384.502 0.688 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2ccc(OC)c(F)c2)CC1=O ZINC000673549510 1199780398 /nfs/dbraw/zinc/78/03/98/1199780398.db2.gz HIYOHEISCLVFLV-OAHLLOKOSA-N 0 3 381.448 0.672 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccnc2N2CCCC2)CC1=O ZINC000673550393 1199781657 /nfs/dbraw/zinc/78/16/57/1199781657.db2.gz VJKXONOEZGMULY-INIZCTEOSA-N 0 3 389.500 0.591 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(F)cc3[nH]cnc32)CC1=O ZINC000673550249 1199782924 /nfs/dbraw/zinc/78/29/24/1199782924.db2.gz GGKCCHMVNLCOPQ-CYBMUJFWSA-N 0 3 377.420 0.611 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(F)cc3nc[nH]c32)CC1=O ZINC000673550249 1199782928 /nfs/dbraw/zinc/78/29/28/1199782928.db2.gz GGKCCHMVNLCOPQ-CYBMUJFWSA-N 0 3 377.420 0.611 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 ZINC000922518761 1199807787 /nfs/dbraw/zinc/80/77/87/1199807787.db2.gz PMCYIOIOAWFJQK-LISAXSMJSA-N 0 3 380.489 0.365 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000499923831 1199814266 /nfs/dbraw/zinc/81/42/66/1199814266.db2.gz WDHSBSUEFMDDQP-HNNXBMFYSA-N 0 3 384.502 0.319 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000499923835 1199814477 /nfs/dbraw/zinc/81/44/77/1199814477.db2.gz WDHSBSUEFMDDQP-OAHLLOKOSA-N 0 3 384.502 0.319 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3C[C@H](C)N(C)C[C@@H]3C)O2)[C@H](C)CN1C ZINC000330303623 1199855527 /nfs/dbraw/zinc/85/55/27/1199855527.db2.gz JYTKDZLMXKIFHX-PTZATXGZSA-N 0 3 380.533 0.636 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3C[C@H](C)N(C)C[C@H]3C)O2)[C@H](C)CN1C ZINC000330303622 1199855918 /nfs/dbraw/zinc/85/59/18/1199855918.db2.gz JYTKDZLMXKIFHX-NWCWSAAOSA-N 0 3 380.533 0.636 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCN(C(=O)C3CC(O)(C(F)(F)F)C3)C2)C1=O ZINC001273048732 1199870822 /nfs/dbraw/zinc/87/08/22/1199870822.db2.gz YVBUOJBKXCSWIG-NRAUKZCXSA-N 0 3 377.407 0.702 20 0 GCADHN COC(=O)[C@@H]1CN([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1C ZINC000280837530 1199884780 /nfs/dbraw/zinc/88/47/80/1199884780.db2.gz WRTUYABSCABFBZ-RBSFLKMASA-N 0 3 377.441 0.693 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(N)=O)o1)C2)N(C)C ZINC001004609121 1199906494 /nfs/dbraw/zinc/90/64/94/1199906494.db2.gz YEEVBZJTHAXBAF-NFFDBFGFSA-N 0 3 376.457 0.826 20 0 GCADHN COCCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCN2C)n1 ZINC001004638046 1199909108 /nfs/dbraw/zinc/90/91/08/1199909108.db2.gz JOVLZAXMFWJJIK-SIXLDLHFSA-N 0 3 375.473 0.485 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)c(C)c1S(=O)(=O)NC1CC1 ZINC000265911375 1199917838 /nfs/dbraw/zinc/91/78/38/1199917838.db2.gz FCWPHYGIGQCGEE-GFCCVEGCSA-N 0 3 396.513 0.749 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccncc1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001004725627 1199918373 /nfs/dbraw/zinc/91/83/73/1199918373.db2.gz LFFPFIWIPRZIFI-RGZPDRSKSA-N 0 3 382.464 0.807 20 0 GCADHN C[C@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000282437211 1199933604 /nfs/dbraw/zinc/93/36/04/1199933604.db2.gz RSYHTGIPDZJOKA-AWEZNQCLSA-N 0 3 397.545 0.720 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCCCC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000625451339 1199957866 /nfs/dbraw/zinc/95/78/66/1199957866.db2.gz JWKRDOGMNSPXCR-ULQDDVLXSA-N 0 3 376.501 0.779 20 0 GCADHN COCCC1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000625465987 1199964814 /nfs/dbraw/zinc/96/48/14/1199964814.db2.gz WURRHWNHAZSAHA-UHFFFAOYSA-N 0 3 394.516 0.028 20 0 GCADHN CCC[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)OCC ZINC000625465832 1199964853 /nfs/dbraw/zinc/96/48/53/1199964853.db2.gz ULDVUHYYPGBOQE-INIZCTEOSA-N 0 3 382.505 0.074 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(C(N)=O)cn1 ZINC001004815849 1199970812 /nfs/dbraw/zinc/97/08/12/1199970812.db2.gz XMNKQBWKHUYWOC-WQVCFCJDSA-N 0 3 382.424 0.316 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)c3nc4n(n3)CCCN4)CC2)c1 ZINC000673924127 1199982063 /nfs/dbraw/zinc/98/20/63/1199982063.db2.gz MLYZQFUBFDPJLP-UHFFFAOYSA-N 0 3 397.527 0.992 20 0 GCADHN CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000625503857 1199984779 /nfs/dbraw/zinc/98/47/79/1199984779.db2.gz NEAQZZYCFAILMG-INIZCTEOSA-N 0 3 395.529 0.694 20 0 GCADHN CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000625503857 1199984782 /nfs/dbraw/zinc/98/47/82/1199984782.db2.gz NEAQZZYCFAILMG-INIZCTEOSA-N 0 3 395.529 0.694 20 0 GCADHN CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000625503857 1199984788 /nfs/dbraw/zinc/98/47/88/1199984788.db2.gz NEAQZZYCFAILMG-INIZCTEOSA-N 0 3 395.529 0.694 20 0 GCADHN Cc1nnc(CCNC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)[nH]1 ZINC000673936323 1199987054 /nfs/dbraw/zinc/98/70/54/1199987054.db2.gz XPHXJTVCFBHOFA-UHFFFAOYSA-N 0 3 380.456 0.963 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCC2)[C@H](C)C1=O ZINC000625520592 1199991858 /nfs/dbraw/zinc/99/18/58/1199991858.db2.gz QGWZDNBQIWXPRX-WBVHZDCISA-N 0 3 378.517 0.835 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)[C@@H](C)C1=O ZINC000625520589 1199992058 /nfs/dbraw/zinc/99/20/58/1199992058.db2.gz QGWZDNBQIWXPRX-DOTOQJQBSA-N 0 3 378.517 0.835 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@H](O)C2)c1 ZINC000670433637 1200013510 /nfs/dbraw/zinc/01/35/10/1200013510.db2.gz JDCVYZGVZZTALY-KRWDZBQOSA-N 0 3 393.484 0.243 20 0 GCADHN CN(C)CCN1CC[C@]2(CCCN(C(=O)[C@H](CO)C(F)(F)F)CC2)C1=O ZINC001273117393 1200041299 /nfs/dbraw/zinc/04/12/99/1200041299.db2.gz JPJYCQUUQVCICT-XJKSGUPXSA-N 0 3 379.423 0.950 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H](CO)C(F)(F)F)CC2)C1=O ZINC001273117391 1200042096 /nfs/dbraw/zinc/04/20/96/1200042096.db2.gz JPJYCQUUQVCICT-CJNGLKHVSA-N 0 3 379.423 0.950 20 0 GCADHN Cc1nn(C)c2ncc(S(=O)(=O)NCCN3CCN(C)C(C)(C)C3)cc12 ZINC000282482759 1200048950 /nfs/dbraw/zinc/04/89/50/1200048950.db2.gz JCMPGRVAOXLVQL-UHFFFAOYSA-N 0 3 380.518 0.581 20 0 GCADHN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466575813 1200059303 /nfs/dbraw/zinc/05/93/03/1200059303.db2.gz SWFNWCQHJDRHSC-IAGOWNOFSA-N 0 3 383.537 0.110 20 0 GCADHN CC[C@@](O)(C(=O)N1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2)C(F)(F)F ZINC001273120161 1200065549 /nfs/dbraw/zinc/06/55/49/1200065549.db2.gz WUKDYTGUADWMJN-LSDHHAIUSA-N 0 3 381.395 0.081 20 0 GCADHN COCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCN2C)cn1 ZINC001005062320 1200075101 /nfs/dbraw/zinc/07/51/01/1200075101.db2.gz PWNSCNNSBNKADE-WCXIOVBPSA-N 0 3 375.473 0.485 20 0 GCADHN O=C(CC[C@@H]1NC(=O)NC1=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000058490305 1200075270 /nfs/dbraw/zinc/07/52/70/1200075270.db2.gz XGLIPMOQUXZDQT-KRWDZBQOSA-N 0 3 387.484 0.693 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CCOC)c1)C2)N(C)C ZINC001005065206 1200078268 /nfs/dbraw/zinc/07/82/68/1200078268.db2.gz OMVGUUPVPCTTLT-NCOADZHNSA-N 0 3 377.489 0.731 20 0 GCADHN CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001033275042 1200092362 /nfs/dbraw/zinc/09/23/62/1200092362.db2.gz CTRHFZCUFPGNNV-QSJFSLAZSA-N 0 3 378.473 0.276 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3CCN3C3CCCC3)C[C@H]2CO)cn1 ZINC000625617740 1200096696 /nfs/dbraw/zinc/09/66/96/1200096696.db2.gz BITBTPQRNDMQGY-SZMVWBNQSA-N 0 3 389.500 0.088 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC000674039809 1200133601 /nfs/dbraw/zinc/13/36/01/1200133601.db2.gz WYDWXUGZPAVEBY-UHFFFAOYSA-N 0 3 384.502 0.393 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CCSC1 ZINC000674039969 1200133771 /nfs/dbraw/zinc/13/37/71/1200133771.db2.gz GXMHKKJPXFNQOQ-SFHVURJKSA-N 0 3 376.482 0.465 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cnnn1Cc1ccccc1 ZINC000509209232 1200144678 /nfs/dbraw/zinc/14/46/78/1200144678.db2.gz GSODQWHLXQZQTA-QGZVFWFLSA-N 0 3 384.484 0.999 20 0 GCADHN CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccn3ccnc13)C2)C1CC1 ZINC001005115014 1200179508 /nfs/dbraw/zinc/17/95/08/1200179508.db2.gz LYCWXUNYVFDVKI-PNBKFKSVSA-N 0 3 382.468 0.931 20 0 GCADHN CC(C)N1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C)n1)C2 ZINC001005184597 1200205351 /nfs/dbraw/zinc/20/53/51/1200205351.db2.gz XEAMFNJBPRIDFB-KBXIAJHMSA-N 0 3 375.477 0.335 20 0 GCADHN COC1CCN(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000674311677 1200219106 /nfs/dbraw/zinc/21/91/06/1200219106.db2.gz KXYIZFFVNWFVDN-LIRRHRJNSA-N 0 3 380.489 0.714 20 0 GCADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCN1CCC(OC)CC1 ZINC000674324366 1200220900 /nfs/dbraw/zinc/22/09/00/1200220900.db2.gz CPQDTLMQQLWDBG-QGZVFWFLSA-N 0 3 387.488 0.502 20 0 GCADHN CN(CCN1CCN(C(=O)Cc2nc3ncccn3n2)CC1)Cc1ccccc1 ZINC000171519670 1200221947 /nfs/dbraw/zinc/22/19/47/1200221947.db2.gz PLHKQBWFMKXERJ-UHFFFAOYSA-N 0 3 393.495 0.943 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)NCCN2CCC(OC)CC2)c1 ZINC000674328622 1200222144 /nfs/dbraw/zinc/22/21/44/1200222144.db2.gz MKTUHTRULQDMJQ-UHFFFAOYSA-N 0 3 384.502 0.505 20 0 GCADHN COC1CCN(CCNC(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000674327805 1200222260 /nfs/dbraw/zinc/22/22/60/1200222260.db2.gz BEGRWGFBKWUBEE-UHFFFAOYSA-N 0 3 377.489 0.828 20 0 GCADHN CN(CCN1CCN(C(=O)CCNS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000171519575 1200222274 /nfs/dbraw/zinc/22/22/74/1200222274.db2.gz ILLCRUJIUJTDFM-UHFFFAOYSA-N 0 3 382.530 0.202 20 0 GCADHN COC1CCN(CCNC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000674331820 1200224284 /nfs/dbraw/zinc/22/42/84/1200224284.db2.gz JXVFBUWDMGBYEZ-HNNXBMFYSA-N 0 3 378.477 0.326 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1=O ZINC000172631505 1200288112 /nfs/dbraw/zinc/28/81/12/1200288112.db2.gz RZVMROVBHHYRPQ-JTQLQIEISA-N 0 3 386.374 0.569 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000172641544 1200288466 /nfs/dbraw/zinc/28/84/66/1200288466.db2.gz DANMYWRSPZYKLV-CQSZACIVSA-N 0 3 382.530 0.646 20 0 GCADHN COCCN1CCC(NC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 ZINC000674620874 1200289502 /nfs/dbraw/zinc/28/95/02/1200289502.db2.gz MDDRKQNTSYHOMP-UGSOOPFHSA-N 0 3 381.477 0.117 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)C2CCC3(CC2)NC(=O)NC3=O)C[C@@H](C)O1 ZINC000674731649 1200312953 /nfs/dbraw/zinc/31/29/53/1200312953.db2.gz GTSSYMSKEBEZMV-IUGDKWEMSA-N 0 3 380.489 0.760 20 0 GCADHN COC[C@](C)(O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000674765756 1200318511 /nfs/dbraw/zinc/31/85/11/1200318511.db2.gz HAODJNGTBKSTTE-XLIONFOSSA-N 0 3 376.501 0.840 20 0 GCADHN O=C(C(=O)N1CCN(C2CCCC2)CC1)N1CCN(CC2CCOCC2)CC1 ZINC000658147843 1200324526 /nfs/dbraw/zinc/32/45/26/1200324526.db2.gz FNHYQBOWNVFYCO-UHFFFAOYSA-N 0 3 392.544 0.644 20 0 GCADHN Cn1ncc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)CN3CCCC3)cnc21 ZINC001005533651 1200343447 /nfs/dbraw/zinc/34/34/47/1200343447.db2.gz AVFLIMXAVTYUMA-ZACQAIPSSA-N 0 3 382.468 0.926 20 0 GCADHN CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)CCN2C1=O ZINC000675083861 1200348107 /nfs/dbraw/zinc/34/81/07/1200348107.db2.gz ATGCSBPUXTVFNF-SJORKVTESA-N 0 3 387.484 0.837 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1OC ZINC000670493313 1200355283 /nfs/dbraw/zinc/35/52/83/1200355283.db2.gz QKFCSOKVKLBZJK-INIZCTEOSA-N 0 3 375.469 0.963 20 0 GCADHN CC(C)(C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCC1 ZINC001061750145 1200357299 /nfs/dbraw/zinc/35/72/99/1200357299.db2.gz QZTSIKZAMKXDQK-HZMVEIRTSA-N 0 3 379.501 0.772 20 0 GCADHN CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CNC(=O)N1)C2)N1CCCCC1 ZINC001005642245 1200391341 /nfs/dbraw/zinc/39/13/41/1200391341.db2.gz UQNAUCULHBLFFA-KBXIAJHMSA-N 0 3 377.489 0.180 20 0 GCADHN CN1CCCC[C@@H]1C(=O)N1CC2(C1)SCC[C@@H]2C(=O)NCc1cnc[nH]1 ZINC001273137149 1200411911 /nfs/dbraw/zinc/41/19/11/1200411911.db2.gz GWNLSSABFFYIDI-HUUCEWRRSA-N 0 3 377.514 0.844 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000675541005 1200428791 /nfs/dbraw/zinc/42/87/91/1200428791.db2.gz KCKNGKZZNMYTPD-KRWDZBQOSA-N 0 3 386.452 0.722 20 0 GCADHN C[C@@H]1C[C@H](NCc2cnc(N3CCN(C)CC3)nc2)C(=O)N1c1cnn(C)c1 ZINC000675553356 1200432858 /nfs/dbraw/zinc/43/28/58/1200432858.db2.gz VUPFFCGAWGSBDI-PBHICJAKSA-N 0 3 384.488 0.246 20 0 GCADHN Cc1cccc(C)c1OC[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000675581194 1200435190 /nfs/dbraw/zinc/43/51/90/1200435190.db2.gz ZKQKVISGJUMIJN-SJORKVTESA-N 0 3 377.485 0.569 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000675709773 1200454514 /nfs/dbraw/zinc/45/45/14/1200454514.db2.gz DFAKZSROJQFFOD-MSOLQXFVSA-N 0 3 381.565 0.955 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000675888996 1200466132 /nfs/dbraw/zinc/46/61/32/1200466132.db2.gz RFHQHPWICBLYAF-KRWDZBQOSA-N 0 3 385.468 0.743 20 0 GCADHN COc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(OC)n1 ZINC000675883357 1200466548 /nfs/dbraw/zinc/46/65/48/1200466548.db2.gz MYVCDAARZVYVIC-CQSZACIVSA-N 0 3 377.445 0.869 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000675916587 1200467768 /nfs/dbraw/zinc/46/77/68/1200467768.db2.gz KJRYNAIDGYUFQW-WMZOPIPTSA-N 0 3 399.495 0.195 20 0 GCADHN CCCCCN1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](n2ccnn2)C1 ZINC001129122858 1200467826 /nfs/dbraw/zinc/46/78/26/1200467826.db2.gz VQSVBWJOJIBNTI-IECFSIQFSA-N 0 3 377.489 0.861 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2Cc2ccccn2)CC1 ZINC000675917971 1200467979 /nfs/dbraw/zinc/46/79/79/1200467979.db2.gz KLSOWUCYXVTCHC-RBUKOAKNSA-N 0 3 385.512 0.811 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 ZINC000675917199 1200468103 /nfs/dbraw/zinc/46/81/03/1200468103.db2.gz YUCFJGHDXHEFPU-KRWDZBQOSA-N 0 3 398.463 0.719 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000675917056 1200468364 /nfs/dbraw/zinc/46/83/64/1200468364.db2.gz SOTLBGYMSHSHBJ-INIZCTEOSA-N 0 3 399.451 0.268 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)N(C)Cc1ccccc1 ZINC000676294854 1200539078 /nfs/dbraw/zinc/53/90/78/1200539078.db2.gz LHJYJEPYHKPMQJ-KRWDZBQOSA-N 0 3 375.517 0.922 20 0 GCADHN Cc1c(C(=O)NC[C@@H]2CN3CCN2CC3)nnn1-c1cccc2c1CCN(C)C2 ZINC000676587933 1200573567 /nfs/dbraw/zinc/57/35/67/1200573567.db2.gz JOBBMPJTSCMKQB-QGZVFWFLSA-N 0 3 395.511 0.293 20 0 GCADHN CN(CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000804180048 1200576097 /nfs/dbraw/zinc/57/60/97/1200576097.db2.gz YSCOTMVEEDZETD-UHFFFAOYSA-N 0 3 399.536 0.112 20 0 GCADHN C[C@@H]1CN(C2CCN(C(=O)C(=O)Nc3ccn(-c4ccncc4)n3)CC2)CCO1 ZINC000507148987 1200610400 /nfs/dbraw/zinc/61/04/00/1200610400.db2.gz YOAVPSFDZJGVSM-OAHLLOKOSA-N 0 3 398.467 0.918 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cccc5[nH]ccc54)CC3)C[C@@H]21 ZINC000625754622 1200611936 /nfs/dbraw/zinc/61/19/36/1200611936.db2.gz JUPXHAIEGOPNHW-BEFAXECRSA-N 0 3 381.480 0.979 20 0 GCADHN CN(C)C(=O)Cn1cnc(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000579830462 1200620451 /nfs/dbraw/zinc/62/04/51/1200620451.db2.gz HRAPIOHESATDFN-DLBZAZTESA-N 0 3 397.483 1.105 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000640745614 1200623591 /nfs/dbraw/zinc/62/35/91/1200623591.db2.gz CBLOBBKOGHRECE-CHWSQXEVSA-N 0 3 396.517 1.454 20 0 GCADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C[C@@H](C)C1 ZINC000556489198 1200625742 /nfs/dbraw/zinc/62/57/42/1200625742.db2.gz NHKBEPGTKXOTHE-JZXOWHBKSA-N 0 3 396.495 1.454 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1nc2n(n1)CCCC2 ZINC000453641905 1200630194 /nfs/dbraw/zinc/63/01/94/1200630194.db2.gz SGUHRHSKAQZLRW-UHFFFAOYSA-N 0 3 388.447 1.282 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000329926704 1200681470 /nfs/dbraw/zinc/68/14/70/1200681470.db2.gz WJXMDBZTTNOLOX-NSHDSACASA-N 0 3 386.378 1.266 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ncn(Cc4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000453912160 1200687377 /nfs/dbraw/zinc/68/73/77/1200687377.db2.gz CZUXVFDLAPDCSU-HIFRSBDPSA-N 0 3 388.859 1.081 20 0 GCADHN CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)NCC3([NH+](C)C)CC3)C2)cc(=O)[n-]1 ZINC000922994563 1200699295 /nfs/dbraw/zinc/69/92/95/1200699295.db2.gz VICUWNMHEZRHKE-HNNXBMFYSA-N 0 3 391.520 0.558 20 0 GCADHN C[C@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@@H](C)C1 ZINC000560146991 1200703169 /nfs/dbraw/zinc/70/31/69/1200703169.db2.gz GPBWWPVLWJXYRR-RWMBFGLXSA-N 0 3 387.406 1.573 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000509277340 1200705616 /nfs/dbraw/zinc/70/56/16/1200705616.db2.gz ASRNMIRIZAONTF-QZTJIDSGSA-N 0 3 397.564 0.681 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C1 ZINC000507207600 1200713264 /nfs/dbraw/zinc/71/32/64/1200713264.db2.gz FRVVRTLHWCWQDR-MRXNPFEDSA-N 0 3 386.456 0.679 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000429298604 1200735816 /nfs/dbraw/zinc/73/58/16/1200735816.db2.gz FBHPMJZHZXMQMP-RBSFLKMASA-N 0 3 398.504 0.337 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN([C@H]3C[C@H]3C)C[C@H](C)C2)nn1 ZINC000580055014 1200744439 /nfs/dbraw/zinc/74/44/39/1200744439.db2.gz CADBCLQDVLDJGE-ZNMIVQPWSA-N 0 3 375.473 1.391 20 0 GCADHN COCCN(C(=O)CN[C@@H]1Cc2cccc(O)c2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000429301825 1200753755 /nfs/dbraw/zinc/75/37/55/1200753755.db2.gz OPXMGHFBSDVCFK-HUUCEWRRSA-N 0 3 382.482 0.111 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000429306197 1200756410 /nfs/dbraw/zinc/75/64/10/1200756410.db2.gz FOJJLKNWCILBDK-OAHLLOKOSA-N 0 3 381.521 0.581 20 0 GCADHN CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2)N1CCOCC1 ZINC001005896859 1200769635 /nfs/dbraw/zinc/76/96/35/1200769635.db2.gz SGGZLDPUIHRWON-BNOWGMLFSA-N 0 3 379.436 0.521 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)nn1CC(F)(F)F ZINC000419636643 1200798529 /nfs/dbraw/zinc/79/85/29/1200798529.db2.gz FDJXKSRLODFOHL-NSHDSACASA-N 0 3 375.395 1.540 20 0 GCADHN CC(C)[C@@H](C(=O)NC1(CCO)CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)N(C)C ZINC001487042051 1200811615 /nfs/dbraw/zinc/81/16/15/1200811615.db2.gz LGYYPFRNQHUOSI-LUKYLMHMSA-N 0 3 381.517 0.467 20 0 GCADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@H]1COCCN1 ZINC000625865617 1200827613 /nfs/dbraw/zinc/82/76/13/1200827613.db2.gz UFYSUYMUOFJQKW-OAHLLOKOSA-N 0 3 377.489 0.947 20 0 GCADHN CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429340287 1200843422 /nfs/dbraw/zinc/84/34/22/1200843422.db2.gz HQHFVOCDSPVMLD-ROUUACIJSA-N 0 3 397.541 0.968 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](C(C)C)N2CCOCC2)CC1 ZINC000509330650 1200851018 /nfs/dbraw/zinc/85/10/18/1200851018.db2.gz HNRLUIUAOJGFPI-GOSISDBHSA-N 0 3 397.564 0.539 20 0 GCADHN COCCCn1ccc(NC(=O)C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000551371228 1200855340 /nfs/dbraw/zinc/85/53/40/1200855340.db2.gz SGEAGONVTIVYNS-OWCLPIDISA-N 0 3 377.489 1.047 20 0 GCADHN N[C@H](C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC000509343491 1200865488 /nfs/dbraw/zinc/86/54/88/1200865488.db2.gz KCVBMROFXZKZAE-KSSFIOAISA-N 0 3 377.441 0.181 20 0 GCADHN COC[C@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)n1 ZINC000426540357 1200908343 /nfs/dbraw/zinc/90/83/43/1200908343.db2.gz PRKXWPZUMUCVKL-HNNXBMFYSA-N 0 3 388.472 1.014 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F ZINC000923264303 1200913788 /nfs/dbraw/zinc/91/37/88/1200913788.db2.gz YUZHUXFYNZMDCH-WOSRLPQWSA-N 0 3 376.432 0.495 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCCC(=O)N2)C3)CCC1 ZINC001006011745 1200924074 /nfs/dbraw/zinc/92/40/74/1200924074.db2.gz IECXEIRJRZVDSC-QXSJWSMHSA-N 0 3 376.501 0.778 20 0 GCADHN COc1cc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc(OC)c1OCC(N)=O ZINC000923309376 1200944285 /nfs/dbraw/zinc/94/42/85/1200944285.db2.gz KWASFOKFZOLDFY-KGLIPLIRSA-N 0 3 377.441 0.877 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000923310819 1200945462 /nfs/dbraw/zinc/94/54/62/1200945462.db2.gz YVMKQGMTXFNFIW-LSDHHAIUSA-N 0 3 396.513 0.355 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000509387845 1200978542 /nfs/dbraw/zinc/97/85/42/1200978542.db2.gz ODTJARODHUZJTD-SFHVURJKSA-N 0 3 397.564 0.539 20 0 GCADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000370843824 1200981560 /nfs/dbraw/zinc/98/15/60/1200981560.db2.gz RNSBMYRBFKVXEK-UHFFFAOYSA-N 0 3 388.447 1.501 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cncc(OC)n2)c1 ZINC000568027806 1201003810 /nfs/dbraw/zinc/00/38/10/1201003810.db2.gz BIAOOXDNAPKZGK-UHFFFAOYSA-N 0 3 387.440 1.023 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000626023578 1201045765 /nfs/dbraw/zinc/04/57/65/1201045765.db2.gz LMXDACLZAYHOHE-OWCLPIDISA-N 0 3 377.489 0.779 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)C1=CCN(C)CC1 ZINC000442333892 1201060185 /nfs/dbraw/zinc/06/01/85/1201060185.db2.gz DFNHSBMRSWZEIA-OAHLLOKOSA-N 0 3 382.468 1.226 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@H]1c1nccn1C ZINC000626042226 1201078237 /nfs/dbraw/zinc/07/82/37/1201078237.db2.gz XBIQMXLPNVGMFP-RMHZUWNSSA-N 0 3 375.473 0.450 20 0 GCADHN CN(C)[C@@H](CNC(=O)N1CCN(c2nc(N)ns2)CC1)Cc1ccccc1 ZINC000426236689 1201080160 /nfs/dbraw/zinc/08/01/60/1201080160.db2.gz ICBCYKUYPVWSOC-OAHLLOKOSA-N 0 3 389.529 1.125 20 0 GCADHN CC(=O)N1CCN(C(=O)CN2C[C@@H](C[C@@H]3COCCN3)c3ccccc32)CC1 ZINC000923540586 1201093079 /nfs/dbraw/zinc/09/30/79/1201093079.db2.gz BLRLHAYAWSBCQA-QZTJIDSGSA-N 0 3 386.496 0.659 20 0 GCADHN COCc1ncc(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)c(N)n1 ZINC000490979754 1201116844 /nfs/dbraw/zinc/11/68/44/1201116844.db2.gz XZCGCBGGSNIGBS-UHFFFAOYSA-N 0 3 386.412 0.927 20 0 GCADHN CCc1ccc([C@H](CNC(=O)c2nc(N)nc(N3CCOCC3)n2)N(C)C)cc1 ZINC000574814605 1201121344 /nfs/dbraw/zinc/12/13/44/1201121344.db2.gz GSBOUYLVZWKOQU-INIZCTEOSA-N 0 3 399.499 0.886 20 0 GCADHN CN1CCN(CCCNC(=O)NCCc2nc(N)no2)[C@@H](c2ccccc2)C1 ZINC000437914519 1201122356 /nfs/dbraw/zinc/12/23/56/1201122356.db2.gz JUKTYIWPVBKFNT-MRXNPFEDSA-N 0 3 387.488 0.872 20 0 GCADHN CN1CCN(CCCNC(=O)NCCc2nc(N)no2)[C@H](c2ccccc2)C1 ZINC000437914518 1201122724 /nfs/dbraw/zinc/12/27/24/1201122724.db2.gz JUKTYIWPVBKFNT-INIZCTEOSA-N 0 3 387.488 0.872 20 0 GCADHN Cc1nc(CN2C(=O)COCC23CN(C(=O)[C@@H](C(C)C)N(C)C)C3)cs1 ZINC001273189006 1201144506 /nfs/dbraw/zinc/14/45/06/1201144506.db2.gz WRULBHNEUTZHOH-MRXNPFEDSA-N 0 3 380.514 0.978 20 0 GCADHN Cc1nn(C)c(N2CCOCC2)c1CNCCc1nnnn1-c1ccccc1 ZINC000509443416 1201155596 /nfs/dbraw/zinc/15/55/96/1201155596.db2.gz AEYFGKFCHIFWID-UHFFFAOYSA-N 0 3 382.472 0.873 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000429529370 1201161801 /nfs/dbraw/zinc/16/18/01/1201161801.db2.gz MRHLCMKYHBGPSI-UHFFFAOYSA-N 0 3 383.460 0.390 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000373232118 1201168058 /nfs/dbraw/zinc/16/80/58/1201168058.db2.gz QDLWLZDFLDYRGS-UHFFFAOYSA-N 0 3 397.487 0.780 20 0 GCADHN CC[C@H](NS(=O)(=O)N1CCNCC1)c1ccccc1OCC(=O)N(C)C ZINC000923592358 1201173044 /nfs/dbraw/zinc/17/30/44/1201173044.db2.gz NCAPLCYTLQLUQU-HNNXBMFYSA-N 0 3 384.502 0.344 20 0 GCADHN CN(Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923592491 1201173132 /nfs/dbraw/zinc/17/31/32/1201173132.db2.gz XDICQSDOARHVFO-UHFFFAOYSA-N 0 3 381.502 0.006 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)CN3CCC(C)CC3)CC2)cn1C ZINC000134981629 1201185600 /nfs/dbraw/zinc/18/56/00/1201185600.db2.gz OYPQKFXYNQVQNG-UHFFFAOYSA-N 0 3 383.518 0.293 20 0 GCADHN CCOc1ccnc(N2CCCN(C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000486453512 1201191628 /nfs/dbraw/zinc/19/16/28/1201191628.db2.gz VIBCNKQESABSBL-FGTMMUONSA-N 0 3 393.532 0.858 20 0 GCADHN CN(C)C1(C(=O)NCC2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCC2)CCC1 ZINC001063360436 1201191825 /nfs/dbraw/zinc/19/18/25/1201191825.db2.gz NNORFLFWVJDMRC-HRCADAONSA-N 0 3 379.501 0.677 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C[C@@H](C)O1 ZINC000500420764 1201221832 /nfs/dbraw/zinc/22/18/32/1201221832.db2.gz FZYPMUZYARAQOG-MVFIVDBMSA-N 0 3 388.512 0.946 20 0 GCADHN COC(=O)CCN1CCN(C(=O)NCC(C)(C)N2CCN(C)CC2)[C@@H](C)C1 ZINC000611394962 1201235995 /nfs/dbraw/zinc/23/59/95/1201235995.db2.gz YAFAXEGYDWDQLL-INIZCTEOSA-N 0 3 383.537 0.291 20 0 GCADHN O=C([C@@H]1C[C@H]1c1c[nH]cn1)N(Cc1ccccc1)[C@@H]1CN(CCCO)C[C@H]1O ZINC001079137160 1201248609 /nfs/dbraw/zinc/24/86/09/1201248609.db2.gz YFIUUZZPCOLFFE-HNBVOPMISA-N 0 3 384.480 0.970 20 0 GCADHN CCN(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001079996933 1201263022 /nfs/dbraw/zinc/26/30/22/1201263022.db2.gz DQRXUSJDRHMQGQ-BHYGNILZSA-N 0 3 381.517 0.828 20 0 GCADHN O=C(CN1CCC[C@H](Cn2ccnn2)C1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000162567811 1201269832 /nfs/dbraw/zinc/26/98/32/1201269832.db2.gz UFCQYELBWGCBCY-KRWDZBQOSA-N 0 3 388.516 0.851 20 0 GCADHN O=C(CN1CCC[C@@H](Cn2ccnn2)C1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000162567730 1201270305 /nfs/dbraw/zinc/27/03/05/1201270305.db2.gz UFCQYELBWGCBCY-QGZVFWFLSA-N 0 3 388.516 0.851 20 0 GCADHN CC(C)N(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001080890046 1201283964 /nfs/dbraw/zinc/28/39/64/1201283964.db2.gz MJCMIIPPZKKRID-OCABDXPQSA-N 0 3 379.501 0.220 20 0 GCADHN C[C@@H]1CCCN1CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001080926217 1201287330 /nfs/dbraw/zinc/28/73/30/1201287330.db2.gz GCCXYNDISJGOIY-PITCONLNSA-N 0 3 391.512 0.364 20 0 GCADHN Cc1[nH]cnc1CC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001080930043 1201288792 /nfs/dbraw/zinc/28/87/92/1201288792.db2.gz IPPRSQUJADKXRQ-FMKPAKJESA-N 0 3 376.457 0.298 20 0 GCADHN CO[C@@H]1CN(CC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001081977706 1201314252 /nfs/dbraw/zinc/31/42/52/1201314252.db2.gz QGSSJGQOEBTGTQ-AKHDSKFASA-N 0 3 381.517 0.482 20 0 GCADHN CO[C@@H]1CN(CCCc2ccccc2C)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001082129295 1201322740 /nfs/dbraw/zinc/32/27/40/1201322740.db2.gz KJVSYYJFDLAOLD-FCGDIQPGSA-N 0 3 389.496 0.776 20 0 GCADHN CCN1CCN(c2ccc(NC(=S)NCCNS(C)(=O)=O)c(C)c2)CC1 ZINC000727066475 1201331946 /nfs/dbraw/zinc/33/19/46/1201331946.db2.gz MEYKNNWOJIUWEC-UHFFFAOYSA-N 0 3 399.586 0.973 20 0 GCADHN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001082571447 1201338168 /nfs/dbraw/zinc/33/81/68/1201338168.db2.gz JFUMCNRXJCACHY-YKTARERQSA-N 0 3 389.500 0.649 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C[C@H]1NCc1cnnn1C ZINC001082569422 1201338377 /nfs/dbraw/zinc/33/83/77/1201338377.db2.gz IOKDQQWLAGQMFU-MWQQHZPXSA-N 0 3 387.488 0.653 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082590128 1201338936 /nfs/dbraw/zinc/33/89/36/1201338936.db2.gz DWMSWTLQQKSBNA-BRSBDYLESA-N 0 3 380.533 0.401 20 0 GCADHN CCn1nnc(C)c1CN[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001082651255 1201341206 /nfs/dbraw/zinc/34/12/06/1201341206.db2.gz SIXUSSXJNILJOO-MMTVNHQJSA-N 0 3 392.504 0.356 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1NCc1ccnn1C ZINC001082656967 1201342413 /nfs/dbraw/zinc/34/24/13/1201342413.db2.gz DAZAPJGCOXBLNF-OWYHZJEWSA-N 0 3 391.516 0.236 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1NCc1cnn(C)c1 ZINC001082657160 1201342808 /nfs/dbraw/zinc/34/28/08/1201342808.db2.gz MPUKQCARVYHWEG-OWYHZJEWSA-N 0 3 391.516 0.236 20 0 GCADHN COc1ccc(CN[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2C)cn1 ZINC001082739283 1201345981 /nfs/dbraw/zinc/34/59/81/1201345981.db2.gz KKFYJTGFQIBXPY-MXASKKJJSA-N 0 3 390.484 0.663 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCc1cccc(S(C)(=O)=O)c1 ZINC001082744656 1201347095 /nfs/dbraw/zinc/34/70/95/1201347095.db2.gz YOYYKSVJGCCXNF-BQDHKBFISA-N 0 3 379.482 0.148 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082798988 1201348814 /nfs/dbraw/zinc/34/88/14/1201348814.db2.gz WLAXJUOLEDCUCI-YWTNHNAXSA-N 0 3 389.500 0.347 20 0 GCADHN CN1Cc2ccccc2[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000535294474 1201369350 /nfs/dbraw/zinc/36/93/50/1201369350.db2.gz NICZSCMLCMGPPK-HXUWFJFHSA-N 0 3 389.544 0.862 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN(C)CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000533597107 1201370055 /nfs/dbraw/zinc/37/00/55/1201370055.db2.gz VQISGFWGZIHAOC-OWCLPIDISA-N 0 3 375.469 0.685 20 0 GCADHN Cc1cccc(CCNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000286306214 1201400279 /nfs/dbraw/zinc/40/02/79/1201400279.db2.gz GQPCAUFPLZPVKP-KRWDZBQOSA-N 0 3 389.500 0.108 20 0 GCADHN CC(C)N1CC[C@H](NCC2(O)CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O ZINC000946927601 1201406692 /nfs/dbraw/zinc/40/66/92/1201406692.db2.gz LIHATRUGAMZAJI-NCOADZHNSA-N 0 3 379.501 0.506 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(CCCN4CCCC4=O)C[C@H]32)O1 ZINC001084447543 1201412288 /nfs/dbraw/zinc/41/22/88/1201412288.db2.gz SAWYEADXGYKNRR-BRSBDYLESA-N 0 3 378.517 0.251 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000729979699 1201422513 /nfs/dbraw/zinc/42/25/13/1201422513.db2.gz HAOLTCWTUPAOLY-CYBMUJFWSA-N 0 3 381.454 0.058 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)Cc2c(C)[nH]c3nn(C)c(=O)c-3c2C)C1 ZINC000730285876 1201441654 /nfs/dbraw/zinc/44/16/54/1201441654.db2.gz MCCNCCAWICVSSI-CQSZACIVSA-N 0 3 375.473 0.648 20 0 GCADHN COc1ccc(COC[C@@H](O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000730569849 1201456350 /nfs/dbraw/zinc/45/63/50/1201456350.db2.gz AJSUFYYZZMCISI-HOTGVXAUSA-N 0 3 387.502 0.078 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000730681904 1201461266 /nfs/dbraw/zinc/46/12/66/1201461266.db2.gz NXNMMTLYPBKCNF-UHFFFAOYSA-N 0 3 394.439 0.586 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)C1 ZINC000730841370 1201465496 /nfs/dbraw/zinc/46/54/96/1201465496.db2.gz JVEORNBSRQKTAQ-CQSZACIVSA-N 0 3 375.473 0.648 20 0 GCADHN C[C@@H]1CN(C(=O)CON=C(N)c2ccccc2CN2CCC(O)CC2)CCO1 ZINC000731664816 1201494753 /nfs/dbraw/zinc/49/47/53/1201494753.db2.gz XMKCPMOOMKIVIZ-OAHLLOKOSA-N 0 3 390.484 0.737 20 0 GCADHN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNC2(CO)CCOCC2)C1=O ZINC000731847625 1201504884 /nfs/dbraw/zinc/50/48/84/1201504884.db2.gz YMDMGDMELPVPTN-IBGZPJMESA-N 0 3 390.440 0.006 20 0 GCADHN CC(C)(C)N1NC=C2C[NH+]=C(NN/C=C3\C(=O)[N-]C(=O)c4ccccc43)N=C21 ZINC000732046881 1201513372 /nfs/dbraw/zinc/51/33/72/1201513372.db2.gz NVHXWMRRYOHIMZ-UVTDQMKNSA-N 0 3 379.424 0.662 20 0 GCADHN Cc1nc(C)n(CCN2CC[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084969926 1201513822 /nfs/dbraw/zinc/51/38/22/1201513822.db2.gz FLCWWOCSKGQNOT-DQEVTTJGSA-N 0 3 390.532 0.537 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084994588 1201531036 /nfs/dbraw/zinc/53/10/36/1201531036.db2.gz BYDGZEYTTGGPJN-NCOADZHNSA-N 0 3 377.485 0.873 20 0 GCADHN NC(=O)CN1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000732272102 1201531139 /nfs/dbraw/zinc/53/11/39/1201531139.db2.gz HIPSOHRRTPWDBT-UHFFFAOYSA-N 0 3 387.528 0.608 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000732445888 1201543441 /nfs/dbraw/zinc/54/34/41/1201543441.db2.gz ULXDCBHURBGEJQ-QGZVFWFLSA-N 0 3 398.529 0.516 20 0 GCADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000732573535 1201548679 /nfs/dbraw/zinc/54/86/79/1201548679.db2.gz RTUBICLJMLDRGU-XHSDSOJGSA-N 0 3 387.484 0.527 20 0 GCADHN Cc1nc(CCN2CC[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]32)cs1 ZINC001085031259 1201551347 /nfs/dbraw/zinc/55/13/47/1201551347.db2.gz PEVZJSWPLRCTRQ-BSWAZPDLSA-N 0 3 392.525 0.950 20 0 GCADHN Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3CCN(CCN4CCNC4=O)[C@H]3C2)cn1 ZINC001085039414 1201557254 /nfs/dbraw/zinc/55/72/54/1201557254.db2.gz SBZFLSXIETVIQI-SPUZQDLCSA-N 0 3 386.500 0.472 20 0 GCADHN CN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732890580 1201566176 /nfs/dbraw/zinc/56/61/76/1201566176.db2.gz JHBAENZPQTVTSF-JHJVBQTASA-N 0 3 378.395 0.654 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 ZINC000733167897 1201578984 /nfs/dbraw/zinc/57/89/84/1201578984.db2.gz ATNRTQHIYUJDTH-CVEARBPZSA-N 0 3 376.457 0.757 20 0 GCADHN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@@H](C)Cn2cccn2)C1=O ZINC000733366448 1201586068 /nfs/dbraw/zinc/58/60/68/1201586068.db2.gz UGUHUOPXOQYLAT-IFXJQAMLSA-N 0 3 384.440 0.750 20 0 GCADHN COC(=O)CCc1nc(COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)no1 ZINC000733435264 1201590160 /nfs/dbraw/zinc/59/01/60/1201590160.db2.gz JITQXPSRAHDGOZ-HTQZYQBOSA-N 0 3 379.291 0.676 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC3(C[C@H]3C(=O)OC)CC2)CC1 ZINC000733796386 1201607709 /nfs/dbraw/zinc/60/77/09/1201607709.db2.gz RNKPMICWLKQLOV-CABCVRRESA-N 0 3 381.473 0.951 20 0 GCADHN CN1CC[N@H+](C)CC(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000823784218 1201608716 /nfs/dbraw/zinc/60/87/16/1201608716.db2.gz WCQHHCHLQMMUOC-AWEZNQCLSA-N 0 3 381.843 0.691 20 0 GCADHN CN1CC[N@@H+](C)CC(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000823784218 1201608720 /nfs/dbraw/zinc/60/87/20/1201608720.db2.gz WCQHHCHLQMMUOC-AWEZNQCLSA-N 0 3 381.843 0.691 20 0 GCADHN COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282607496 1201614477 /nfs/dbraw/zinc/61/44/77/1201614477.db2.gz RFDUALSNHRMNOI-UHFFFAOYSA-N 0 3 398.529 0.958 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC(=O)NCCN3CCN(C)C(C)(C)C3)C2=O)n1 ZINC000282670122 1201620600 /nfs/dbraw/zinc/62/06/00/1201620600.db2.gz KJBVGYWZCFXVRP-HNNXBMFYSA-N 0 3 391.520 0.241 20 0 GCADHN CCN(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCO1 ZINC001065396195 1201625692 /nfs/dbraw/zinc/62/56/92/1201625692.db2.gz FGDXMQIBYRMPHX-LUKYLMHMSA-N 0 3 381.517 0.875 20 0 GCADHN CC(C)(C(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCO1)N1CCCC1 ZINC001065401221 1201627124 /nfs/dbraw/zinc/62/71/24/1201627124.db2.gz NVQDWIDVSXSYTP-ZXXIGWHRSA-N 0 3 391.512 0.628 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1=O ZINC000733890848 1201628026 /nfs/dbraw/zinc/62/80/26/1201628026.db2.gz VXKYWLMMLURLPR-AWEZNQCLSA-N 0 3 382.505 0.912 20 0 GCADHN CC(C)(C(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCO1)N1CCCC1 ZINC001065653464 1201629993 /nfs/dbraw/zinc/62/99/93/1201629993.db2.gz CPGSREPYIHIAHN-VQHPVUNQSA-N 0 3 379.501 0.772 20 0 GCADHN CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001066196176 1201633081 /nfs/dbraw/zinc/63/30/81/1201633081.db2.gz LWNVYKFDTSMSRZ-MJQMVNBJSA-N 0 3 381.517 0.877 20 0 GCADHN O=C(CCN1CCN(C2CCC2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000734152882 1201643475 /nfs/dbraw/zinc/64/34/75/1201643475.db2.gz YIDWTFXZHPSYMC-UHFFFAOYSA-N 0 3 377.489 0.833 20 0 GCADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)n[nH]1 ZINC001085244421 1201647283 /nfs/dbraw/zinc/64/72/83/1201647283.db2.gz CPJVHVHAOMSDER-OXHZDVMGSA-N 0 3 391.394 0.976 20 0 GCADHN CCn1c(C)nnc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001085242572 1201647600 /nfs/dbraw/zinc/64/76/00/1201647600.db2.gz XQJFINFFLGBYPM-MWQQHZPXSA-N 0 3 378.521 0.843 20 0 GCADHN CC(C)c1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n[nH]1 ZINC001085329706 1201668234 /nfs/dbraw/zinc/66/82/34/1201668234.db2.gz CNVCPBBPSPIGMH-YIYPIFLZSA-N 0 3 378.477 0.478 20 0 GCADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cnn(C)c2)O1 ZINC001085330614 1201668947 /nfs/dbraw/zinc/66/89/47/1201668947.db2.gz RVMLKPPEUWWIMC-VQHPVUNQSA-N 0 3 377.489 0.573 20 0 GCADHN NC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)cc1 ZINC000735512993 1201690384 /nfs/dbraw/zinc/69/03/84/1201690384.db2.gz LZHBFMQZSUKTRW-ZWKOTPCHSA-N 0 3 387.484 0.480 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1NC(C)=O ZINC000735586868 1201692835 /nfs/dbraw/zinc/69/28/35/1201692835.db2.gz DZFPESYUFMRBIB-GJZGRUSLSA-N 0 3 390.440 0.572 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000735587900 1201693463 /nfs/dbraw/zinc/69/34/63/1201693463.db2.gz PDAVQEUDRUZQNH-KBPBESRZSA-N 0 3 387.415 0.929 20 0 GCADHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCN(C)C1CC1 ZINC000735586530 1201693507 /nfs/dbraw/zinc/69/35/07/1201693507.db2.gz CWDLPAVKRTUKAN-UHFFFAOYSA-N 0 3 394.497 0.036 20 0 GCADHN COC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735590955 1201694490 /nfs/dbraw/zinc/69/44/90/1201694490.db2.gz VIZFJRDCNJAMFS-CABCVRRESA-N 0 3 376.413 0.783 20 0 GCADHN NC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1Cl ZINC000735596317 1201695324 /nfs/dbraw/zinc/69/53/24/1201695324.db2.gz RGVQTWPFMBSMHH-NEPJUHHUSA-N 0 3 380.832 0.357 20 0 GCADHN Cc1nc(-c2ccccc2NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000735592832 1201695366 /nfs/dbraw/zinc/69/53/66/1201695366.db2.gz GFFIKOGTQGFCFU-ZIAGYGMSSA-N 0 3 385.424 0.963 20 0 GCADHN CNC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1Cl ZINC000735597733 1201696203 /nfs/dbraw/zinc/69/62/03/1201696203.db2.gz YCAOPHPMKJAKBB-OLZOCXBDSA-N 0 3 394.859 0.618 20 0 GCADHN Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cn1 ZINC000735597334 1201696351 /nfs/dbraw/zinc/69/63/51/1201696351.db2.gz WIGIEIRIKPIJTA-HOTGVXAUSA-N 0 3 384.440 0.494 20 0 GCADHN Cn1cnc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@H]3CCCN3C)nc21 ZINC001006254596 1201706007 /nfs/dbraw/zinc/70/60/07/1201706007.db2.gz HOEFIWBFQHDSEE-VDNDLQMASA-N 0 3 382.468 0.924 20 0 GCADHN Cn1cc(N2C[C@H](C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)CC2=O)cn1 ZINC000626115117 1201712762 /nfs/dbraw/zinc/71/27/62/1201712762.db2.gz GPJVSQAPYNKALM-IEBWSBKVSA-N 0 3 397.479 0.308 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000736318797 1201712997 /nfs/dbraw/zinc/71/29/97/1201712997.db2.gz MWSZYLFHPQVWHO-QGZVFWFLSA-N 0 3 396.532 0.720 20 0 GCADHN CCOC(=O)N1CCN(C(=O)CN2CCN(CC3CCOCC3)CC2)CC1 ZINC000736318035 1201713039 /nfs/dbraw/zinc/71/30/39/1201713039.db2.gz CRQINBWKEBMKQK-UHFFFAOYSA-N 0 3 382.505 0.331 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C1 ZINC000736663780 1201715995 /nfs/dbraw/zinc/71/59/95/1201715995.db2.gz ABJGDLDSEFVXOP-MRXNPFEDSA-N 0 3 384.502 0.126 20 0 GCADHN CN(CC(=O)N1CC2(CCN2S(=O)(=O)c2cn(C)cn2)C1)C1CCCC1 ZINC001273344095 1201717458 /nfs/dbraw/zinc/71/74/58/1201717458.db2.gz VVQFGRXDCRGYNJ-UHFFFAOYSA-N 0 3 381.502 0.270 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)c1C ZINC000737137906 1201721450 /nfs/dbraw/zinc/72/14/50/1201721450.db2.gz DVFIHMKNLSHCIX-ZDUSSCGKSA-N 0 3 396.513 0.880 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000737219167 1201724650 /nfs/dbraw/zinc/72/46/50/1201724650.db2.gz UBASOYDTLVNKQC-CHWSQXEVSA-N 0 3 379.388 0.530 20 0 GCADHN Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000737219243 1201724848 /nfs/dbraw/zinc/72/48/48/1201724848.db2.gz UVJCWUXETCHWAY-HUUCEWRRSA-N 0 3 399.451 0.804 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000737236816 1201725284 /nfs/dbraw/zinc/72/52/84/1201725284.db2.gz BIYCBRSLSSGDCG-UHFFFAOYSA-N 0 3 385.472 0.350 20 0 GCADHN Cc1cc2c(c(F)c1)N(CN1CCN(C(=O)CN3CCCC3)CC1)C(=O)C2=O ZINC000738161303 1201735045 /nfs/dbraw/zinc/73/50/45/1201735045.db2.gz PXPPLWNANLJRRD-UHFFFAOYSA-N 0 3 388.443 0.861 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000738318182 1201736194 /nfs/dbraw/zinc/73/61/94/1201736194.db2.gz PNJKQICZLSVFPN-MSOLQXFVSA-N 0 3 396.532 0.862 20 0 GCADHN C[S@@](=O)CCN1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000741290346 1201771958 /nfs/dbraw/zinc/77/19/58/1201771958.db2.gz FABONJHCEBXBNI-HFJWLAOPSA-N 0 3 378.542 0.816 20 0 GCADHN C[S@](=O)CCN1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000741290342 1201772154 /nfs/dbraw/zinc/77/21/54/1201772154.db2.gz FABONJHCEBXBNI-DWXRJYCRSA-N 0 3 378.542 0.816 20 0 GCADHN COCCC[N@H+](C)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000741726047 1201784636 /nfs/dbraw/zinc/78/46/36/1201784636.db2.gz DCRYUPBFXGYLMU-UHFFFAOYSA-N 0 3 387.477 0.965 20 0 GCADHN COCCC[N@@H+](C)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000741726047 1201784638 /nfs/dbraw/zinc/78/46/38/1201784638.db2.gz DCRYUPBFXGYLMU-UHFFFAOYSA-N 0 3 387.477 0.965 20 0 GCADHN COC(=O)CCN(CC(=O)NC[C@@H]1COc2ccccc2O1)C1CCOCC1 ZINC000743871607 1201824827 /nfs/dbraw/zinc/82/48/27/1201824827.db2.gz LHYILZSHFMHHKW-MRXNPFEDSA-N 0 3 392.452 0.987 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H]2C)c2ccccc2O1 ZINC000743979938 1201831498 /nfs/dbraw/zinc/83/14/98/1201831498.db2.gz JCRSCTIYVIMXEX-BBRMVZONSA-N 0 3 375.425 0.554 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000743978524 1201831613 /nfs/dbraw/zinc/83/16/13/1201831613.db2.gz JUCQGISNHWEVJJ-OAHLLOKOSA-N 0 3 388.468 0.698 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)NCCN2CCC[C@H]2C)ccc1F ZINC000743978713 1201831904 /nfs/dbraw/zinc/83/19/04/1201831904.db2.gz NLIKGQZHYAAVBT-LLVKDONJSA-N 0 3 375.408 0.649 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000743980895 1201832282 /nfs/dbraw/zinc/83/22/82/1201832282.db2.gz NRHXSTIBPJLNLK-ZDUSSCGKSA-N 0 3 394.497 0.666 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000743981047 1201832353 /nfs/dbraw/zinc/83/23/53/1201832353.db2.gz IATLFSZVIVNIFO-CYBMUJFWSA-N 0 3 383.452 0.882 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000743980854 1201832515 /nfs/dbraw/zinc/83/25/15/1201832515.db2.gz NBPIPFUZJAPWBW-AWEZNQCLSA-N 0 3 394.497 0.766 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000743983036 1201832629 /nfs/dbraw/zinc/83/26/29/1201832629.db2.gz UCQPORHDYGKPDM-AWEZNQCLSA-N 0 3 397.497 0.649 20 0 GCADHN CN(CN1C(=O)NC2(CCN(C)CC2)C1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438654 1201843074 /nfs/dbraw/zinc/84/30/74/1201843074.db2.gz ORJPIVUSUNOTBI-AWEZNQCLSA-N 0 3 395.504 0.901 20 0 GCADHN CS(=O)(=O)Cc1noc(COC(=O)C2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000744849505 1201856357 /nfs/dbraw/zinc/85/63/57/1201856357.db2.gz GPROYFROUVPGTO-LBPRGKRZSA-N 0 3 397.384 0.850 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)C1 ZINC000746047182 1201897067 /nfs/dbraw/zinc/89/70/67/1201897067.db2.gz WWJRKVCCEIVVCB-AWEZNQCLSA-N 0 3 397.497 0.507 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1=O ZINC000746150217 1201901521 /nfs/dbraw/zinc/90/15/21/1201901521.db2.gz SHVJNKCBJPTDPM-CABCVRRESA-N 0 3 382.505 0.912 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1=O ZINC000746150218 1201901766 /nfs/dbraw/zinc/90/17/66/1201901766.db2.gz SHVJNKCBJPTDPM-GJZGRUSLSA-N 0 3 382.505 0.912 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)CC1=O ZINC000746208619 1201902863 /nfs/dbraw/zinc/90/28/63/1201902863.db2.gz NBKIWIAGYPTHCV-CQSZACIVSA-N 0 3 382.505 0.912 20 0 GCADHN COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cc(F)ccc1F ZINC000746202264 1201902914 /nfs/dbraw/zinc/90/29/14/1201902914.db2.gz LVQVRYOOVLNBNI-BDJLRTHQSA-N 0 3 383.395 0.705 20 0 GCADHN Cc1occc1-c1cc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)n(CCO)n1 ZINC000746208033 1201902920 /nfs/dbraw/zinc/90/29/20/1201902920.db2.gz PSRCMMOYJPJBEU-CQSZACIVSA-N 0 3 389.456 0.792 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000189115831 1201908925 /nfs/dbraw/zinc/90/89/25/1201908925.db2.gz PNAJJVNHSVWHPD-HNNXBMFYSA-N 0 3 397.545 0.555 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1=O ZINC000746326026 1201909402 /nfs/dbraw/zinc/90/94/02/1201909402.db2.gz MLVZAUBLWASVDR-LSDHHAIUSA-N 0 3 382.505 0.912 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2C)CC1 ZINC000191925789 1201911430 /nfs/dbraw/zinc/91/14/30/1201911430.db2.gz FXTPLUCTHNBMAN-UHFFFAOYSA-N 0 3 384.484 0.873 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000766343377 1201911521 /nfs/dbraw/zinc/91/15/21/1201911521.db2.gz FDVMKKAWOJXIMF-INIZCTEOSA-N 0 3 394.497 0.437 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000046948653 1201911978 /nfs/dbraw/zinc/91/19/78/1201911978.db2.gz VYRDMNQINLFLBY-MRXNPFEDSA-N 0 3 394.541 0.982 20 0 GCADHN Cn1cc(-c2nc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cs2)cn1 ZINC000103122032 1201917122 /nfs/dbraw/zinc/91/71/22/1201917122.db2.gz BLHPORBYTNXRCP-UHFFFAOYSA-N 0 3 388.497 0.924 20 0 GCADHN C[C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NC(=O)C1CCCC1 ZINC000103121479 1201917230 /nfs/dbraw/zinc/91/72/30/1201917230.db2.gz IDHLZOOTRZPWER-MRXNPFEDSA-N 0 3 378.517 0.838 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000746406028 1201918707 /nfs/dbraw/zinc/91/87/07/1201918707.db2.gz JVDJSPRJZBHPID-IAGOWNOFSA-N 0 3 384.440 0.244 20 0 GCADHN C[C@@H](NCCC(=O)NC(=O)NCC(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC001168785597 1201923884 /nfs/dbraw/zinc/92/38/84/1201923884.db2.gz OKQJLCVRXISIGT-SECBINFHSA-N 0 3 396.391 0.763 20 0 GCADHN CCOC(=O)c1c2ccccn2c2ncnc(N(C)S(=O)(=O)CCN)c12 ZINC001156232656 1201927883 /nfs/dbraw/zinc/92/78/83/1201927883.db2.gz ZHUAKHWBBHSVLG-UHFFFAOYSA-N 0 3 377.426 0.784 20 0 GCADHN CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1-n1nnnc1CN ZINC001168919077 1201928744 /nfs/dbraw/zinc/92/87/44/1201928744.db2.gz VAVQKCXKMXYJGR-LBPRGKRZSA-N 0 3 388.476 0.315 20 0 GCADHN COC(=O)[C@H]1CCCN1[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169194073 1201935408 /nfs/dbraw/zinc/93/54/08/1201935408.db2.gz YSZWMQXCGVHJJY-UONOGXRCSA-N 0 3 391.472 0.630 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001169192760 1201935689 /nfs/dbraw/zinc/93/56/89/1201935689.db2.gz QNDMFVIPOGRMGT-HZSPNIEDSA-N 0 3 381.452 0.397 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCC(=O)c1cccnc1 ZINC001169178570 1201937309 /nfs/dbraw/zinc/93/73/09/1201937309.db2.gz ZFZUPIFSEPJEIV-CQSZACIVSA-N 0 3 398.467 0.860 20 0 GCADHN CC(=O)N1CCN([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC001169208044 1201938459 /nfs/dbraw/zinc/93/84/59/1201938459.db2.gz ZLTZRFIVTPGBEA-AWEZNQCLSA-N 0 3 390.488 0.157 20 0 GCADHN CCOC(=O)[C@H]1CC[C@@H](NCC(=O)NCC(=O)OCc2ccccc2)CO1 ZINC001169317640 1201942019 /nfs/dbraw/zinc/94/20/19/1201942019.db2.gz CABMAYVTVWOTCT-HZPDHXFCSA-N 0 3 378.425 0.546 20 0 GCADHN Cc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)CN4CCCC4)CC3)C2=O)cc1 ZINC000103165951 1201942917 /nfs/dbraw/zinc/94/29/17/1201942917.db2.gz 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GCADHN CCN(CC)C(=O)C[C@H](C)N(Cc1ncn2c1CNCCC2)S(C)(=O)=O ZINC001169468158 1201949123 /nfs/dbraw/zinc/94/91/23/1201949123.db2.gz UYBGWQBABCNNQX-AWEZNQCLSA-N 0 3 385.534 0.785 20 0 GCADHN CC(=O)N1CC[C@@H](N[C@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)C1 ZINC001169497579 1201949560 /nfs/dbraw/zinc/94/95/60/1201949560.db2.gz YGGAEPSOVLVVRX-KGLIPLIRSA-N 0 3 387.502 0.373 20 0 GCADHN CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C[C@H](O)C(C)(C)O)C2)C(=O)C1 ZINC001169474690 1201949632 /nfs/dbraw/zinc/94/96/32/1201949632.db2.gz WKEBDZNLZNYJIT-GJZGRUSLSA-N 0 3 385.505 0.662 20 0 GCADHN CC(=O)N1CC[C@H](N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@H]3C)C1 ZINC001169541723 1201950574 /nfs/dbraw/zinc/95/05/74/1201950574.db2.gz ZKNOBMTVOMSVEA-HOCLYGCPSA-N 0 3 375.473 0.627 20 0 GCADHN C[C@H](O)CN1CCN(C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)[C@H](C)C1 ZINC001169536736 1201950786 /nfs/dbraw/zinc/95/07/86/1201950786.db2.gz CMVMKCPRGUJQPB-HLLBOEOZSA-N 0 3 377.485 0.698 20 0 GCADHN 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O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO[C@@H]1CCOC1)c1cc2n(n1)CCO2 ZINC001109407306 1202038381 /nfs/dbraw/zinc/03/83/81/1202038381.db2.gz QPJBQUUKNGRZBK-AIANPOQGSA-N 0 3 376.457 0.806 20 0 GCADHN Cc1cc(NC(=O)CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C2CC2)N(C)C)C3)no1 ZINC001109402150 1202038398 /nfs/dbraw/zinc/03/83/98/1202038398.db2.gz JBSJQZIEKPGWCT-LLDVTBCESA-N 0 3 375.473 0.983 20 0 GCADHN COCCc1nc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(N(C)C)CCC2)C3)no1 ZINC001109403433 1202039024 /nfs/dbraw/zinc/03/90/24/1202039024.db2.gz GVEDUOPHNDTYCB-ILXRZTDVSA-N 0 3 377.489 0.964 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@H]1CCOC1)C1CCC1 ZINC001109411577 1202040458 /nfs/dbraw/zinc/04/04/58/1202040458.db2.gz ASJGZKHVZZIEOJ-BGTYHANMSA-N 0 3 378.517 0.345 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)N3CC[C@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000768957551 1202040956 /nfs/dbraw/zinc/04/09/56/1202040956.db2.gz RSXNBSOIBIPLIU-INIZCTEOSA-N 0 3 381.502 0.723 20 0 GCADHN 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GCADHN C[C@H](Cc1ccco1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000787978249 1205411721 /nfs/dbraw/zinc/41/17/21/1205411721.db2.gz XLVIDZGCMIUDOE-GDBMZVCRSA-N 0 3 376.457 0.092 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CCSC1 ZINC000788241223 1205416985 /nfs/dbraw/zinc/41/69/85/1205416985.db2.gz CWLQANMEHLTZJH-WMLDXEAASA-N 0 3 385.530 0.732 20 0 GCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000788241163 1205417159 /nfs/dbraw/zinc/41/71/59/1205417159.db2.gz CKERRUKCQXTOHR-QAPCUYQASA-N 0 3 377.514 0.832 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N(C)Cc2nnc3ccccn32)CCSC1 ZINC000788244238 1205417427 /nfs/dbraw/zinc/41/74/27/1205417427.db2.gz MXNZXGIGXMIDBA-QGZVFWFLSA-N 0 3 376.486 0.241 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC000788249653 1205417565 /nfs/dbraw/zinc/41/75/65/1205417565.db2.gz ZCCHLLFEAILFER-KRWDZBQOSA-N 0 3 386.518 0.275 20 0 GCADHN O=C(NCc1ccc(Cn2cccn2)cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000788465431 1205423560 /nfs/dbraw/zinc/42/35/60/1205423560.db2.gz XIHWKAARLAKOAM-RTBURBONSA-N 0 3 397.479 0.527 20 0 GCADHN CCOC(=O)[C@@H]1[C@H](NC[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)OC(C)(C)C ZINC000788692029 1205427951 /nfs/dbraw/zinc/42/79/51/1205427951.db2.gz OWCLRTZIUWLYSK-MJBXVCDLSA-N 0 3 390.502 0.952 20 0 GCADHN CN(CCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(=O)OC(C)(C)C ZINC000788883960 1205431812 /nfs/dbraw/zinc/43/18/12/1205431812.db2.gz KSIKGOZXEIOOFH-HNNXBMFYSA-N 0 3 382.505 0.960 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)n[nH]c1C)C2 ZINC001110088603 1205437780 /nfs/dbraw/zinc/43/77/80/1205437780.db2.gz XODLMFRBUNTUJJ-FZCLSBEQSA-N 0 3 380.489 0.314 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CSc2nnnn2CCN(C)C)CC1 ZINC000789909123 1205452329 /nfs/dbraw/zinc/45/23/29/1205452329.db2.gz WCRDYZHUIUZDEL-UHFFFAOYSA-N 0 3 385.494 0.064 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cccc(CC(N)=O)c1 ZINC000790014543 1205454730 /nfs/dbraw/zinc/45/47/30/1205454730.db2.gz SZDGFYAIXQMJGH-UHFFFAOYSA-N 0 3 380.470 0.857 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(C)CCc1ccccc1F)CN1CCN(C)CC1 ZINC000790182290 1205457647 /nfs/dbraw/zinc/45/76/47/1205457647.db2.gz AMUDRTASPHXNPW-INIZCTEOSA-N 0 3 378.492 0.826 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1ccn(-c2ccccc2)n1)CN1CCN(C)CC1 ZINC000790182443 1205457818 /nfs/dbraw/zinc/45/78/18/1205457818.db2.gz CGEANXGWOBFGPZ-KRWDZBQOSA-N 0 3 398.511 0.488 20 0 GCADHN C[C@H](NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)c1nnnn1C ZINC000790163965 1205458007 /nfs/dbraw/zinc/45/80/07/1205458007.db2.gz HXRYBXSLSFELHD-DOTOQJQBSA-N 0 3 386.504 0.949 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000790185360 1205458567 /nfs/dbraw/zinc/45/85/67/1205458567.db2.gz RCVHJGIQQMMNAV-GJZGRUSLSA-N 0 3 399.536 0.016 20 0 GCADHN CCN(CCc1ccccn1)C(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000790210322 1205459223 /nfs/dbraw/zinc/45/92/23/1205459223.db2.gz RYLMIDNKAKOHML-GOSISDBHSA-N 0 3 389.544 0.862 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CN2C[C@@]3(CN4CCC3CC4)OC2=O)C1 ZINC000790371032 1205463742 /nfs/dbraw/zinc/46/37/42/1205463742.db2.gz OCOZAMTVGVCROK-RZQQEMMASA-N 0 3 394.516 0.724 20 0 GCADHN CC(C)N1CCN(CCCOC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000791448268 1205477633 /nfs/dbraw/zinc/47/76/33/1205477633.db2.gz LQHATVODTOPVBA-UHFFFAOYSA-N 0 3 396.513 0.443 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001110094381 1205480513 /nfs/dbraw/zinc/48/05/13/1205480513.db2.gz YIDSVEFOLYCREE-UGUYLWEFSA-N 0 3 377.489 0.128 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792147347 1205484189 /nfs/dbraw/zinc/48/41/89/1205484189.db2.gz AAMCKFNJESIHTK-MRXNPFEDSA-N 0 3 384.521 0.766 20 0 GCADHN COC(=O)C1CCN(C(=O)c2cccnc2-n2[n-]c(=O)c(CC[NH3+])c2C)CC1 ZINC001170339863 1205491174 /nfs/dbraw/zinc/49/11/74/1205491174.db2.gz HOWWHYBQBDZJNW-UHFFFAOYSA-N 0 3 387.440 0.808 20 0 GCADHN C[C@@H](O)c1ccc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000793646454 1205501673 /nfs/dbraw/zinc/50/16/73/1205501673.db2.gz SZTHAAPHLRVGRU-OAHLLOKOSA-N 0 3 376.501 0.498 20 0 GCADHN O=C(NCc1ccccc1N1CCCC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793721786 1205503267 /nfs/dbraw/zinc/50/32/67/1205503267.db2.gz ZRLBSWCRAXYWSW-MSOLQXFVSA-N 0 3 386.496 0.882 20 0 GCADHN CCOC(=O)N1CCN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000793720769 1205503507 /nfs/dbraw/zinc/50/35/07/1205503507.db2.gz UFXXLYUXEKMUNH-QGZVFWFLSA-N 0 3 390.484 0.576 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)N1CCCCC1 ZINC000793698485 1205504107 /nfs/dbraw/zinc/50/41/07/1205504107.db2.gz JSSBTWHWBOJPPD-DOTOQJQBSA-N 0 3 378.517 0.884 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)N1CCCCC1 ZINC000793698488 1205504270 /nfs/dbraw/zinc/50/42/70/1205504270.db2.gz JSSBTWHWBOJPPD-WBVHZDCISA-N 0 3 378.517 0.884 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1)N1CCCCC1 ZINC000793708004 1205504563 /nfs/dbraw/zinc/50/45/63/1205504563.db2.gz HOCHXMNRIBRDSR-MRXNPFEDSA-N 0 3 387.484 0.357 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793705694 1205504660 /nfs/dbraw/zinc/50/46/60/1205504660.db2.gz BBNUDUMZFQIBIA-OAHLLOKOSA-N 0 3 382.505 0.121 20 0 GCADHN Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000793803544 1205506475 /nfs/dbraw/zinc/50/64/75/1205506475.db2.gz TWPOAXRIRLSCGS-KRWDZBQOSA-N 0 3 382.468 0.889 20 0 GCADHN Cc1nccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793802833 1205506571 /nfs/dbraw/zinc/50/65/71/1205506571.db2.gz ORXIANUHTUYHBB-DLBZAZTESA-N 0 3 398.467 0.171 20 0 GCADHN Cc1nccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000793803906 1205506593 /nfs/dbraw/zinc/50/65/93/1205506593.db2.gz CUBHEFHENSJPPT-QGZVFWFLSA-N 0 3 382.468 0.792 20 0 GCADHN Cc1cccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000793800995 1205506644 /nfs/dbraw/zinc/50/66/44/1205506644.db2.gz QSGIEQIUCRVHDS-XYJFISCASA-N 0 3 375.469 0.858 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)CC1 ZINC000793817682 1205507546 /nfs/dbraw/zinc/50/75/46/1205507546.db2.gz RZBSECJWMCVWHF-CMVHYPBASA-N 0 3 397.516 0.651 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000793816703 1205507640 /nfs/dbraw/zinc/50/76/40/1205507640.db2.gz KWHKXJYEOPEDMY-HNNXBMFYSA-N 0 3 398.504 0.339 20 0 GCADHN O=C(NCCN1CCc2sccc2C1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793865348 1205508131 /nfs/dbraw/zinc/50/81/31/1205508131.db2.gz KUFNGDDALGEFOY-CVEARBPZSA-N 0 3 392.525 0.202 20 0 GCADHN CN(CCNC(=O)C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000793934626 1205509948 /nfs/dbraw/zinc/50/99/48/1205509948.db2.gz ABIQISBJXALNSQ-UHFFFAOYSA-N 0 3 382.505 0.960 20 0 GCADHN Cc1nc(Cn2nnc(NC(=O)NC[C@H]3CN4CCC[C@H]4CO3)c2C)no1 ZINC000794369850 1205513486 /nfs/dbraw/zinc/51/34/86/1205513486.db2.gz SUUAQFKWHOAKRK-STQMWFEESA-N 0 3 376.421 0.311 20 0 GCADHN O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001110102227 1205513572 /nfs/dbraw/zinc/51/35/72/1205513572.db2.gz WLUPTKVSLMEBPH-QPSCCSFWSA-N 0 3 379.423 0.744 20 0 GCADHN CC(C)CCOCCN[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001129863239 1205521122 /nfs/dbraw/zinc/52/11/22/1205521122.db2.gz AETXZNXPKUKNIN-ZMMAXQRCSA-N 0 3 377.489 0.719 20 0 GCADHN O=C(N1C[C@@H](NCCOCC(F)(F)F)[C@@H](n2ccnn2)C1)[C@]12C[C@H]1COC2 ZINC001129864146 1205521278 /nfs/dbraw/zinc/52/12/78/1205521278.db2.gz QSTVGTYOXYAZHA-XFMPKHEZSA-N 0 3 389.378 0.235 20 0 GCADHN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804732374 1205524037 /nfs/dbraw/zinc/52/40/37/1205524037.db2.gz MIABBXYDEAIJRC-JKSUJKDBSA-N 0 3 394.516 0.960 20 0 GCADHN Cc1ccc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2=O)cc1 ZINC000804730743 1205524043 /nfs/dbraw/zinc/52/40/43/1205524043.db2.gz ATVNCDZJOATYJD-WMZOPIPTSA-N 0 3 384.480 0.817 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804732855 1205524470 /nfs/dbraw/zinc/52/44/70/1205524470.db2.gz ZDDLCAZCRIMFIL-HIFRSBDPSA-N 0 3 382.505 0.959 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129941047 1205525364 /nfs/dbraw/zinc/52/53/64/1205525364.db2.gz HHZMUESNSJQCCR-NCOADZHNSA-N 0 3 381.477 0.098 20 0 GCADHN COC[C@@]1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCCN1C(=O)OC(C)(C)C ZINC000804789321 1205526175 /nfs/dbraw/zinc/52/61/75/1205526175.db2.gz GRDGEMPRQJAHNW-JXFKEZNVSA-N 0 3 396.532 0.909 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCCOCC(F)(F)F)[C@@H](n3ccnn3)C2)O1 ZINC001130014483 1205528509 /nfs/dbraw/zinc/52/85/09/1205528509.db2.gz OCXJSOQJSGSGMK-YIYPIFLZSA-N 0 3 391.394 0.766 20 0 GCADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001130012124 1205528517 /nfs/dbraw/zinc/52/85/17/1205528517.db2.gz QAZUAEGYAORFMD-TVFCKZIOSA-N 0 3 379.505 0.965 20 0 GCADHN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000804927918 1205528982 /nfs/dbraw/zinc/52/89/82/1205528982.db2.gz KGLZNYKHTAAJPM-JKSUJKDBSA-N 0 3 382.505 0.912 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H](C)CC2(C)OCCO2)CC1 ZINC000805157667 1205532932 /nfs/dbraw/zinc/53/29/32/1205532932.db2.gz MUBFHBBSFNBSCT-OAHLLOKOSA-N 0 3 399.532 0.897 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000747235564 1205534495 /nfs/dbraw/zinc/53/44/95/1205534495.db2.gz DJDSBEGCDANNJN-CVEARBPZSA-N 0 3 379.482 0.720 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000747237199 1205534690 /nfs/dbraw/zinc/53/46/90/1205534690.db2.gz UIJMGNJCWBOWKX-ARFHVFGLSA-N 0 3 381.498 0.641 20 0 GCADHN CCC[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NCC)[n-]1 ZINC001130240486 1205539150 /nfs/dbraw/zinc/53/91/50/1205539150.db2.gz RBDVATARKZREBM-BARDWOONSA-N 0 3 392.504 0.455 20 0 GCADHN CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CC2)[n-]1 ZINC001130242157 1205539598 /nfs/dbraw/zinc/53/95/98/1205539598.db2.gz JHNZYHWVSLPRMH-XQLPTFJDSA-N 0 3 390.488 0.065 20 0 GCADHN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000806205419 1205551513 /nfs/dbraw/zinc/55/15/13/1205551513.db2.gz XVKAMKUNTRNVBX-OAHLLOKOSA-N 0 3 396.557 0.543 20 0 GCADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000806236041 1205552238 /nfs/dbraw/zinc/55/22/38/1205552238.db2.gz GGHHDAODHKKQMK-SFHVURJKSA-N 0 3 388.516 0.375 20 0 GCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000806236040 1205552365 /nfs/dbraw/zinc/55/23/65/1205552365.db2.gz GGHHDAODHKKQMK-GOSISDBHSA-N 0 3 388.516 0.375 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806254377 1205552879 /nfs/dbraw/zinc/55/28/79/1205552879.db2.gz LCDUALZFDUMCEE-HZPDHXFCSA-N 0 3 383.489 0.405 20 0 GCADHN CC(C)N1CC[C@@H](NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1=O ZINC000806259652 1205553024 /nfs/dbraw/zinc/55/30/24/1205553024.db2.gz BGPPJXWAGJWHOM-GOSISDBHSA-N 0 3 388.512 0.745 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000806327582 1205554292 /nfs/dbraw/zinc/55/42/92/1205554292.db2.gz MKRCWSHMIOLLQC-KURKYZTESA-N 0 3 391.516 0.825 20 0 GCADHN Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)nc12 ZINC000806537730 1205558334 /nfs/dbraw/zinc/55/83/34/1205558334.db2.gz VCZRVFVZHNCOQT-IAGOWNOFSA-N 0 3 385.468 0.281 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NCCNC(=O)C3CC3)C2)O1 ZINC001130678119 1205559377 /nfs/dbraw/zinc/55/93/77/1205559377.db2.gz MOFVDOCVJOJQBW-AETAKHFUSA-N 0 3 389.500 0.398 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806601197 1205560174 /nfs/dbraw/zinc/56/01/74/1205560174.db2.gz KOHATLYBMZZMGS-HNNXBMFYSA-N 0 3 382.892 0.963 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000806694070 1205562582 /nfs/dbraw/zinc/56/25/82/1205562582.db2.gz VZSPRBSIPIIXPZ-QGZVFWFLSA-N 0 3 396.532 0.274 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000806696755 1205562920 /nfs/dbraw/zinc/56/29/20/1205562920.db2.gz DQPRIIBDDYTMAV-IRXDYDNUSA-N 0 3 397.516 0.748 20 0 GCADHN C[C@@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CCO1 ZINC000806665585 1205563645 /nfs/dbraw/zinc/56/36/45/1205563645.db2.gz AFBHXNGGWRPFOW-MGNMYUMUSA-N 0 3 381.521 0.090 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806715292 1205565066 /nfs/dbraw/zinc/56/50/66/1205565066.db2.gz FLMWUKRBOPAKMV-QWHCGFSZSA-N 0 3 390.406 0.480 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806718645 1205565359 /nfs/dbraw/zinc/56/53/59/1205565359.db2.gz XNWAMZKNGUMMNO-HUUCEWRRSA-N 0 3 383.489 0.261 20 0 GCADHN C[C@]1(C[C@@H]2CCCN2C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)NC(=O)NC1=O ZINC000806736448 1205565966 /nfs/dbraw/zinc/56/59/66/1205565966.db2.gz KOMHXMMABIWZGO-HNSFDTNUSA-N 0 3 379.461 0.012 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000806762851 1205566505 /nfs/dbraw/zinc/56/65/05/1205566505.db2.gz LCWLYHURWJPPHV-CQSZACIVSA-N 0 3 399.536 0.158 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806792207 1205567357 /nfs/dbraw/zinc/56/73/57/1205567357.db2.gz KTPJVCILGGFROU-ZDUSSCGKSA-N 0 3 392.422 0.552 20 0 GCADHN COc1cc(C(=O)N[C@]2(C)CN3CCC2CC3)cc(OC)c1OCC(N)=O ZINC001130799185 1205572747 /nfs/dbraw/zinc/57/27/47/1205572747.db2.gz WOFKCXHMSVMAOT-LJQANCHMSA-N 0 3 377.441 0.782 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000807504949 1205582880 /nfs/dbraw/zinc/58/28/80/1205582880.db2.gz UBJJKHBODAAMQO-NQIIRXRSSA-N 0 3 391.512 0.970 20 0 GCADHN CCC(CC)(CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)SC ZINC000807775668 1205589962 /nfs/dbraw/zinc/58/99/62/1205589962.db2.gz PJKPFNYSIWCLKX-UHFFFAOYSA-N 0 3 398.573 0.791 20 0 GCADHN CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)N(C)CCN2CCCC2)CC1 ZINC000807828349 1205591986 /nfs/dbraw/zinc/59/19/86/1205591986.db2.gz MLXLCCNOQIEEIA-HNNXBMFYSA-N 0 3 382.505 0.914 20 0 GCADHN Cn1nccc1CCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000808018172 1205596827 /nfs/dbraw/zinc/59/68/27/1205596827.db2.gz IIMTULOQOKXLDT-LJQANCHMSA-N 0 3 399.495 0.486 20 0 GCADHN C[NH+]1CCC(O[N-]C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000808024139 1205597121 /nfs/dbraw/zinc/59/71/21/1205597121.db2.gz BAYMJMCAFBGGAC-UHFFFAOYSA-N 0 3 375.473 0.652 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000808174954 1205602087 /nfs/dbraw/zinc/60/20/87/1205602087.db2.gz WWZAFGLINSOGMQ-ZDUSSCGKSA-N 0 3 384.477 0.571 20 0 GCADHN COc1cccc(C[C@@H](C(=O)N[C@@H](CO)CN2CCCC2)n2nnnc2C)c1 ZINC000808219554 1205602690 /nfs/dbraw/zinc/60/26/90/1205602690.db2.gz OSGZKLAXEWATEQ-AEFFLSMTSA-N 0 3 388.472 0.347 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1=O ZINC000808270094 1205604474 /nfs/dbraw/zinc/60/44/74/1205604474.db2.gz RKTDEZXETJRJQB-WBVHZDCISA-N 0 3 389.452 0.063 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)CC1=O ZINC000808270680 1205604938 /nfs/dbraw/zinc/60/49/38/1205604938.db2.gz YKTREUUQHUVXTK-DQOPKJQZSA-N 0 3 389.452 0.724 20 0 GCADHN CNS(=O)(=O)c1ccc(CNCCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1 ZINC001131501294 1205613503 /nfs/dbraw/zinc/61/35/03/1205613503.db2.gz MIOQUJGSHLYNSB-BHYGNILZSA-N 0 3 381.498 0.616 20 0 GCADHN CC(C)CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001131502373 1205613567 /nfs/dbraw/zinc/61/35/67/1205613567.db2.gz BQOUHJBVTOPHIQ-NZGUISNBSA-N 0 3 393.528 0.781 20 0 GCADHN C[C@@H](NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)NCc1ccc(F)cc1 ZINC001131524646 1205617167 /nfs/dbraw/zinc/61/71/67/1205617167.db2.gz LRSQBKDHTMVTNQ-XTENKEOPSA-N 0 3 375.444 0.960 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(=O)NC3CC3)CC2)O1 ZINC001131567417 1205618384 /nfs/dbraw/zinc/61/83/84/1205618384.db2.gz KSCAZDNCSQYKGJ-QUIPCFFLSA-N 0 3 379.501 0.818 20 0 GCADHN CNC(=O)NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001131578375 1205618886 /nfs/dbraw/zinc/61/88/86/1205618886.db2.gz UFLXLUJOEWBFEO-LHHMISFZSA-N 0 3 392.500 0.474 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000809240105 1205620140 /nfs/dbraw/zinc/62/01/40/1205620140.db2.gz SKHSPJXIVQSWDF-ZWKOTPCHSA-N 0 3 388.512 0.650 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCCc1cccs1 ZINC001131645322 1205621852 /nfs/dbraw/zinc/62/18/52/1205621852.db2.gz WCJVVXOIMCNJGO-JLJPHGGASA-N 0 3 381.498 0.164 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCCc1ccsc1 ZINC001131644930 1205621942 /nfs/dbraw/zinc/62/19/42/1205621942.db2.gz NRRSAJIXBZTWSO-YQQAZPJKSA-N 0 3 381.498 0.164 20 0 GCADHN C[C@H](NCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)N1CCC(C(N)=O)CC1 ZINC001131663319 1205622907 /nfs/dbraw/zinc/62/29/07/1205622907.db2.gz YCMBIPUXDBFRFL-QSPRXWTASA-N 0 3 378.517 0.631 20 0 GCADHN CNC(=O)C1CCN(C(=O)CNCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001131663158 1205622918 /nfs/dbraw/zinc/62/29/18/1205622918.db2.gz UGQCSQCGNZCPBX-YESZJQIVSA-N 0 3 378.517 0.503 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC000809403643 1205624305 /nfs/dbraw/zinc/62/43/05/1205624305.db2.gz FKMYRUXBCRDMJD-HIFRSBDPSA-N 0 3 393.557 0.611 20 0 GCADHN CCOC(=O)N1CCCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000809866076 1205630526 /nfs/dbraw/zinc/63/05/26/1205630526.db2.gz JYGPGJJTBRPHFQ-OAHLLOKOSA-N 0 3 382.505 0.914 20 0 GCADHN CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000809868143 1205630819 /nfs/dbraw/zinc/63/08/19/1205630819.db2.gz ZIISZQGCMQGXQY-GJZGRUSLSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@@H]1CN(CCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CCO1 ZINC000747586381 1205632702 /nfs/dbraw/zinc/63/27/02/1205632702.db2.gz XPWOMRKYYJNFPN-MISYRCLQSA-N 0 3 390.528 0.889 20 0 GCADHN CN(C[C@H]1CCCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000810016216 1205632877 /nfs/dbraw/zinc/63/28/77/1205632877.db2.gz XDFKBIFQHVQXFI-RHSMWYFYSA-N 0 3 393.550 0.866 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810067830 1205633463 /nfs/dbraw/zinc/63/34/63/1205633463.db2.gz YECLZOOFMVIHAS-JSGCOSHPSA-N 0 3 392.422 0.456 20 0 GCADHN CC(C)(C)OC(=O)COCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001132910348 1205653843 /nfs/dbraw/zinc/65/38/43/1205653843.db2.gz FRVFDNUBCGFBLA-UHFFFAOYSA-N 0 3 383.489 0.677 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000811743379 1205654927 /nfs/dbraw/zinc/65/49/27/1205654927.db2.gz QLHCVQBHYQXEBI-FUHWJXTLSA-N 0 3 380.533 0.846 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000811743380 1205655005 /nfs/dbraw/zinc/65/50/05/1205655005.db2.gz QLHCVQBHYQXEBI-SJLPKXTDSA-N 0 3 380.533 0.846 20 0 GCADHN CNc1nc(NC[C@@H](O)c2ccccn2)nc(NC[C@H](O)c2ccccn2)n1 ZINC000811828632 1205658104 /nfs/dbraw/zinc/65/81/04/1205658104.db2.gz HRQCOTAVNDZJTR-GASCZTMLSA-N 0 3 382.428 0.994 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCCN(CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000828132602 1205659954 /nfs/dbraw/zinc/65/99/54/1205659954.db2.gz DQWOPLCUQGZGSI-AWEZNQCLSA-N 0 3 395.481 0.866 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1COc2ccccc2[C@H]1O ZINC000812022157 1205660316 /nfs/dbraw/zinc/66/03/16/1205660316.db2.gz IQZYKLXMKNJVFK-SOLBZPMBSA-N 0 3 390.484 0.723 20 0 GCADHN COCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000812075750 1205660749 /nfs/dbraw/zinc/66/07/49/1205660749.db2.gz HAAISPLIYJMJEN-INIZCTEOSA-N 0 3 376.505 0.935 20 0 GCADHN COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000812125327 1205661380 /nfs/dbraw/zinc/66/13/80/1205661380.db2.gz NMZUZNPXSVAKCT-HNNXBMFYSA-N 0 3 394.520 0.752 20 0 GCADHN COCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000812167770 1205661755 /nfs/dbraw/zinc/66/17/55/1205661755.db2.gz IBINIMAYRYKKMQ-INIZCTEOSA-N 0 3 376.505 0.620 20 0 GCADHN COCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000812167771 1205661832 /nfs/dbraw/zinc/66/18/32/1205661832.db2.gz IBINIMAYRYKKMQ-MRXNPFEDSA-N 0 3 376.505 0.620 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(O)CCSC3)cc2)CC1 ZINC000747798526 1205666565 /nfs/dbraw/zinc/66/65/65/1205666565.db2.gz XITBRZBQWULLIJ-LJQANCHMSA-N 0 3 392.525 0.751 20 0 GCADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@@H](N2CCNC2=O)C1 ZINC000747813965 1205668083 /nfs/dbraw/zinc/66/80/83/1205668083.db2.gz JHYVLIARVFHJQM-NWFCWYBLSA-N 0 3 382.486 0.456 20 0 GCADHN CON(C)C(=O)C1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000812871769 1205670159 /nfs/dbraw/zinc/67/01/59/1205670159.db2.gz LZWYWKFKCZJVET-INIZCTEOSA-N 0 3 390.440 0.596 20 0 GCADHN CON(C)C(=O)C1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000812871771 1205670209 /nfs/dbraw/zinc/67/02/09/1205670209.db2.gz LZWYWKFKCZJVET-MRXNPFEDSA-N 0 3 390.440 0.596 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(C(=O)N(C)OC)CC2)CC1 ZINC000813085124 1205672942 /nfs/dbraw/zinc/67/29/42/1205672942.db2.gz XWYHZZVKJHZZIQ-MRXNPFEDSA-N 0 3 383.537 0.701 20 0 GCADHN CN(Cc1ccccc1S(N)(=O)=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000814296632 1205689755 /nfs/dbraw/zinc/68/97/55/1205689755.db2.gz ILPYGSVSAKNNKV-LSDHHAIUSA-N 0 3 382.486 0.339 20 0 GCADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCC3(CCNC(=O)O3)CC2)cn1 ZINC001134598289 1205695306 /nfs/dbraw/zinc/69/53/06/1205695306.db2.gz FDCOXPCMOYOBML-JKSUJKDBSA-N 0 3 375.473 0.947 20 0 GCADHN Cc1noc(COc2ccc(C(=O)N[C@H]3CCN(CC(C)(C)O)C3)cn2)n1 ZINC001170778194 1205698679 /nfs/dbraw/zinc/69/86/79/1205698679.db2.gz YMHYGBDLGRESPY-AWEZNQCLSA-N 0 3 375.429 0.927 20 0 GCADHN CN(C/C=C\C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)CC(F)(F)F ZINC000815249853 1205699651 /nfs/dbraw/zinc/69/96/51/1205699651.db2.gz JTQUVHOCQDWYDC-PKXJPQMGSA-N 0 3 376.423 0.977 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(OC(=O)NC)c2)CC1 ZINC000815341268 1205703190 /nfs/dbraw/zinc/70/31/90/1205703190.db2.gz GUCOJAPQOWVJSV-CQSZACIVSA-N 0 3 391.472 0.486 20 0 GCADHN CNC(=O)c1cc(O[C@H]2CCCN(CCCN3C(=O)CNC3=O)C2)ccn1 ZINC001171660393 1205708706 /nfs/dbraw/zinc/70/87/06/1205708706.db2.gz YUUSCHGYSOUKML-AWEZNQCLSA-N 0 3 375.429 0.226 20 0 GCADHN CCOC(=O)c1cc(CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)on1 ZINC001171925601 1205710434 /nfs/dbraw/zinc/71/04/34/1205710434.db2.gz LABYMSBNSTUWMK-GJZGRUSLSA-N 0 3 375.429 0.937 20 0 GCADHN COc1ccc(OC)c([C@H](O)CNC(=O)CN[C@H]2CCN(C3CC3)C(=O)C2)c1 ZINC001172003496 1205711049 /nfs/dbraw/zinc/71/10/49/1205711049.db2.gz YADOYLWGKBOBJQ-SUMWQHHRSA-N 0 3 391.468 0.596 20 0 GCADHN CN(C)C(=O)CN1CC[C@]2(CCCN([C@@H]3CCN(C4CC4)C(=O)C3)C2)C1=O ZINC001172013040 1205711283 /nfs/dbraw/zinc/71/12/83/1205711283.db2.gz ILWUCTHPMZNQNT-UZLBHIALSA-N 0 3 376.501 0.543 20 0 GCADHN CCN1CC[C@H](NCc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1=O ZINC001172032084 1205711971 /nfs/dbraw/zinc/71/19/71/1205711971.db2.gz JSSXSGQMEBRAGK-INIZCTEOSA-N 0 3 381.498 0.808 20 0 GCADHN CCN1CC[C@H](N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)CC1=O ZINC001172042759 1205712549 /nfs/dbraw/zinc/71/25/49/1205712549.db2.gz YQHPDVNOSKZDJB-NOCIGQNYSA-N 0 3 387.484 0.697 20 0 GCADHN COCCNC(=O)[C@H]1Cn2nccc2CN([C@@H]2CCN3C(=O)CC[C@H]3C2)C1 ZINC001172173052 1205713706 /nfs/dbraw/zinc/71/37/06/1205713706.db2.gz RDIAFCNTSDYZSH-OAGGEKHMSA-N 0 3 375.473 0.231 20 0 GCADHN O=C([C@H]1Cn2nccc2CN([C@@H]2CCN3C(=O)CC[C@H]3C2)C1)N1CCOCC1 ZINC001172173664 1205713863 /nfs/dbraw/zinc/71/38/63/1205713863.db2.gz LGHMSAGTEUPQSG-ZACQAIPSSA-N 0 3 387.484 0.327 20 0 GCADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN([C@H]1CCN3C(=O)CC[C@H]3C1)C2 ZINC001172176571 1205714215 /nfs/dbraw/zinc/71/42/15/1205714215.db2.gz GVEUYUJKWQTUAN-ZWOKBUDYSA-N 0 3 379.501 0.726 20 0 GCADHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN([C@@H]1COC(C)(C)C1)C2 ZINC001172283573 1205715578 /nfs/dbraw/zinc/71/55/78/1205715578.db2.gz DXYLZQSURWWHOJ-KXBFYZLASA-N 0 3 375.473 0.627 20 0 GCADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN([C@@H]2COC(C)(C)C2)CC3)C1=O ZINC001172286089 1205715688 /nfs/dbraw/zinc/71/56/88/1205715688.db2.gz XELMKAYDKKDVNB-KXBFYZLASA-N 0 3 399.557 0.760 20 0 GCADHN COC(=O)[C@@H]1CCC[C@@H](N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001172614839 1205716441 /nfs/dbraw/zinc/71/64/41/1205716441.db2.gz YTVHETLNAASMAV-SVGFKBNWSA-N 0 3 375.469 0.909 20 0 GCADHN COC(=O)[C@@H]1CCC[C@H](N(Cc2ncn3c2CNCCC3)S(C)(=O)=O)C1 ZINC001172628728 1205716531 /nfs/dbraw/zinc/71/65/31/1205716531.db2.gz XTBIPUNYLSYIJM-KGLIPLIRSA-N 0 3 384.502 0.870 20 0 GCADHN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NS(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001172691227 1205716641 /nfs/dbraw/zinc/71/66/41/1205716641.db2.gz MLJZNTKGMAQHFF-NEPJUHHUSA-N 0 3 393.506 0.584 20 0 GCADHN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC2CCC3(CCCC3)CC2)c(=O)[nH]1 ZINC001172724575 1205716671 /nfs/dbraw/zinc/71/66/71/1205716671.db2.gz WIBSZGUKBCXQGR-MWQQHZPXSA-N 0 3 379.457 0.661 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172711535 1205717270 /nfs/dbraw/zinc/71/72/70/1205717270.db2.gz BGWFSVNQFKTZOC-CENBSLRLSA-N 0 3 395.887 0.968 20 0 GCADHN C[C@@H](Cc1c(F)cccc1Cl)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001172850671 1205717613 /nfs/dbraw/zinc/71/76/13/1205717613.db2.gz ZJQJZKFXNCUULI-NHYWBVRUSA-N 0 3 398.866 0.592 20 0 GCADHN CO[C@H]1CCC[C@H](N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001172939463 1205717894 /nfs/dbraw/zinc/71/78/94/1205717894.db2.gz QAAUOSHMCMPCNQ-QAETUUGQSA-N 0 3 396.532 0.541 20 0 GCADHN Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@H]2CCOC2)n(C)c1=O ZINC001110167279 1205717978 /nfs/dbraw/zinc/71/79/78/1205717978.db2.gz ZYAMSNPOBJOUFP-UGUYLWEFSA-N 0 3 378.473 0.255 20 0 GCADHN CO[C@@H]1CCC[C@@H](N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1 ZINC001172939462 1205718064 /nfs/dbraw/zinc/71/80/64/1205718064.db2.gz QAAUOSHMCMPCNQ-NCOADZHNSA-N 0 3 396.532 0.541 20 0 GCADHN CNC(=O)CN1CCO[C@H]2CN([C@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001173070453 1205718665 /nfs/dbraw/zinc/71/86/65/1205718665.db2.gz WEOFZEBGFRLLNV-TWMKSMIVSA-N 0 3 396.532 0.905 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2CC[C@H](CO)[C@@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001173496881 1205721561 /nfs/dbraw/zinc/72/15/61/1205721561.db2.gz LJZVYMQMCDTUBU-BDXSIMOUSA-N 0 3 376.453 0.508 20 0 GCADHN COC(=O)[C@H]1C[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)c1ccccc1 ZINC001173487360 1205722285 /nfs/dbraw/zinc/72/22/85/1205722285.db2.gz KIUGRWUDSWKCKX-DLBZAZTESA-N 0 3 389.452 0.281 20 0 GCADHN C[C@@H](CCc1ccc(Cl)c(Cl)c1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001173539559 1205722631 /nfs/dbraw/zinc/72/26/31/1205722631.db2.gz PUUMEZMLKPLAAL-IKTBGSDFSA-N 0 3 380.268 0.704 20 0 GCADHN CC[C@]1(C(=O)OC)C[C@H](NC[C@H]2CNC(=O)CO2)CN1C(=O)OC(C)(C)C ZINC001173536240 1205723441 /nfs/dbraw/zinc/72/34/41/1205723441.db2.gz UYVAQIHFOAFIJV-ZJNRKIDTSA-N 0 3 385.461 0.422 20 0 GCADHN CC[C@]1(C(=O)OC)C[C@@H](N(C)S(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001173538049 1205723542 /nfs/dbraw/zinc/72/35/42/1205723542.db2.gz DMUHVPPUBVFKGA-MLGOLLRUSA-N 0 3 393.506 0.538 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2CCC(OCC(=O)N3CCCC3)CC2)C[C@@H]1C(=O)OC ZINC001173587568 1205725193 /nfs/dbraw/zinc/72/51/93/1205725193.db2.gz AKJHNBWCDSWKNG-ACHSLPGTSA-N 0 3 396.484 0.831 20 0 GCADHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173752253 1205727281 /nfs/dbraw/zinc/72/72/81/1205727281.db2.gz KTZCIBUWGDSFDU-YXISZKLHSA-N 0 3 378.477 0.493 20 0 GCADHN Cc1cnccc1Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001174538764 1205730755 /nfs/dbraw/zinc/73/07/55/1205730755.db2.gz PZDNHQOKLDLHLR-FPSMNIFISA-N 0 3 378.450 0.448 20 0 GCADHN O=C(COCC(=O)N[C@@H]1CCC[C@H]1N1CCC(O)CC1)NCc1cccnc1 ZINC001175180548 1205736061 /nfs/dbraw/zinc/73/60/61/1205736061.db2.gz PYVBHFQKGZVSLO-QZTJIDSGSA-N 0 3 390.484 0.208 20 0 GCADHN O=C(COCC(=O)N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)NCc1cccnc1 ZINC001175180547 1205736101 /nfs/dbraw/zinc/73/61/01/1205736101.db2.gz PYVBHFQKGZVSLO-MSOLQXFVSA-N 0 3 390.484 0.208 20 0 GCADHN CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)C1 ZINC001175181955 1205736125 /nfs/dbraw/zinc/73/61/25/1205736125.db2.gz YWGFFOWKRRLKOA-BPUTZDHNSA-N 0 3 381.473 0.967 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)CCNC(=O)c1ccc[nH]1)CC2 ZINC001175529946 1205738441 /nfs/dbraw/zinc/73/84/41/1205738441.db2.gz FWFKUDAOTISTFN-UHFFFAOYSA-N 0 3 375.473 0.338 20 0 GCADHN CN1CCC=C(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)C1 ZINC001175582040 1205739444 /nfs/dbraw/zinc/73/94/44/1205739444.db2.gz BYQWPKNMTRSXSF-ILOCAZANSA-N 0 3 382.482 0.210 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@H]3CCNC(=O)[C@@H]32)c1 ZINC001175662096 1205740082 /nfs/dbraw/zinc/74/00/82/1205740082.db2.gz WHVQCQHKNZINLX-BLLLJJGKSA-N 0 3 380.470 0.263 20 0 GCADHN CN(C[C@](C)(O)CN1CCC(O)(COCCO)CC1)C(=O)OC(C)(C)C ZINC001176272322 1205745702 /nfs/dbraw/zinc/74/57/02/1205745702.db2.gz HBZYCEKODYMCHX-KRWDZBQOSA-N 0 3 376.494 0.440 20 0 GCADHN CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001176385262 1205746628 /nfs/dbraw/zinc/74/66/28/1205746628.db2.gz LJAFJTWUXWLHOU-LJQANCHMSA-N 0 3 384.484 0.880 20 0 GCADHN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1cc(F)ccc1N1CCN(C)CC1 ZINC001176367393 1205747461 /nfs/dbraw/zinc/74/74/61/1205747461.db2.gz MMHZTFGOQDDOGC-QGZVFWFLSA-N 0 3 388.447 0.987 20 0 GCADHN COc1ccc(CNC(=O)CCN2CCN3CCOC[C@@]3(CO)C2)c(OC)c1 ZINC001176524012 1205748565 /nfs/dbraw/zinc/74/85/65/1205748565.db2.gz KEJLCEJUCQHQTA-FQEVSTJZSA-N 0 3 393.484 0.089 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CC[C@H](c3cnccn3)C2)c1 ZINC001176513857 1205748741 /nfs/dbraw/zinc/74/87/41/1205748741.db2.gz AARQLHMGASSKII-ZDUSSCGKSA-N 0 3 375.454 0.942 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CCSC[C@@H]3C(N)=O)cc2)CC1 ZINC000773589295 1205754314 /nfs/dbraw/zinc/75/43/14/1205754314.db2.gz QAQQMTHFXLNXME-QGZVFWFLSA-N 0 3 391.541 0.670 20 0 GCADHN O=C(CN1CC[C@@H]2[C@@H]1CCCN2CCO)NC(=O)Nc1ccc2c(c1)OCO2 ZINC001176808758 1205754822 /nfs/dbraw/zinc/75/48/22/1205754822.db2.gz RWWMQCIGTYBDJU-LSDHHAIUSA-N 0 3 390.440 0.594 20 0 GCADHN O=C(CN1CC[C@H]2[C@H]1CCCN2CCO)NC(=O)Nc1ccc2c(c1)OCO2 ZINC001176808755 1205754834 /nfs/dbraw/zinc/75/48/34/1205754834.db2.gz RWWMQCIGTYBDJU-CABCVRRESA-N 0 3 390.440 0.594 20 0 GCADHN Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)Cc2c[nH]cn2)C3)nn1 ZINC001176828699 1205755851 /nfs/dbraw/zinc/75/58/51/1205755851.db2.gz DHMFLKVKXWDEIQ-KXBFYZLASA-N 0 3 386.456 0.797 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC001177180479 1205763727 /nfs/dbraw/zinc/76/37/27/1205763727.db2.gz WHSBFHBSDINQMM-KRWDZBQOSA-N 0 3 394.541 0.596 20 0 GCADHN CN(C)C(=O)c1ccc(CNCCC(=O)N2CCN(c3ccccn3)CC2)[nH]1 ZINC001177566400 1205772016 /nfs/dbraw/zinc/77/20/16/1205772016.db2.gz WFCXQRKRERYNKG-UHFFFAOYSA-N 0 3 384.484 0.940 20 0 GCADHN CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC001177684999 1205773874 /nfs/dbraw/zinc/77/38/74/1205773874.db2.gz CPYFLRJQZJYOJF-WBVHZDCISA-N 0 3 376.457 0.554 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc3nsnc31)C2 ZINC001110216142 1205781533 /nfs/dbraw/zinc/78/15/33/1205781533.db2.gz DLUKBHDDBYMDSM-VDERGJSUSA-N 0 3 376.482 0.963 20 0 GCADHN O=C(C1CN(c2cnccn2)C1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001178091988 1205782648 /nfs/dbraw/zinc/78/26/48/1205782648.db2.gz NWFVLLJOQKQCBI-MOPGFXCFSA-N 0 3 394.479 0.810 20 0 GCADHN C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001179008405 1205799021 /nfs/dbraw/zinc/79/90/21/1205799021.db2.gz KEXLOYLPECQLOV-LHSJRXKWSA-N 0 3 387.480 0.651 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(N[C@H]3CCOC3)C2)c1 ZINC001179009128 1205799319 /nfs/dbraw/zinc/79/93/19/1205799319.db2.gz ZLVLQJDOYZIWLU-HNNXBMFYSA-N 0 3 381.498 0.920 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC(N[C@H]3CCOC3)C2)cc1 ZINC001179008903 1205799403 /nfs/dbraw/zinc/79/94/03/1205799403.db2.gz UPGXVKPAZKVWNX-HNNXBMFYSA-N 0 3 395.481 0.147 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001179056466 1205800286 /nfs/dbraw/zinc/80/02/86/1205800286.db2.gz RLDIOTIASKLFIW-CLCXKQKWSA-N 0 3 385.505 0.783 20 0 GCADHN CN1C[C@H](C(=O)NCc2c[nH]nn2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154957 1205803859 /nfs/dbraw/zinc/80/38/59/1205803859.db2.gz ATNLHFXJPKQMKS-CQSZACIVSA-N 0 3 394.476 0.521 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001179203915 1205804565 /nfs/dbraw/zinc/80/45/65/1205804565.db2.gz BZXYJDCPDPFAQJ-IFXJQAMLSA-N 0 3 396.488 0.931 20 0 GCADHN CN1CCC[C@@H]2CN(C(=O)[C@@H]3NC(=O)CC34CN(C(=O)OC(C)(C)C)C4)C[C@H]21 ZINC001179216507 1205805524 /nfs/dbraw/zinc/80/55/24/1205805524.db2.gz HTPFWQMWYFBWGU-FMKPAKJESA-N 0 3 392.500 0.665 20 0 GCADHN CN1CCC[C@](C)(NC(=O)[C@H]2NC(=O)CC23CN(C(=O)OC(C)(C)C)C3)C1 ZINC001179225105 1205806354 /nfs/dbraw/zinc/80/63/54/1205806354.db2.gz UISHMHZJFOXYHO-KDOFPFPSSA-N 0 3 380.489 0.713 20 0 GCADHN O=C1c2ccccc2C(=O)N1Cc1n[nH]cc1CN[C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC001179602791 1205812393 /nfs/dbraw/zinc/81/23/93/1205812393.db2.gz IKBZQBDYYBEEDN-WVJCCSTMSA-N 0 3 384.436 0.960 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@](O)(CNCc2ccc(S(N)(=O)=O)s2)C1 ZINC001179713080 1205813563 /nfs/dbraw/zinc/81/35/63/1205813563.db2.gz PSIIRRQOKUBDKV-OAHLLOKOSA-N 0 3 391.515 0.857 20 0 GCADHN CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)CCC(=O)N1CCOCC1)C2 ZINC001180493426 1205825676 /nfs/dbraw/zinc/82/56/76/1205825676.db2.gz ACRUICRIDKPSSK-UHFFFAOYSA-N 0 3 377.489 0.774 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1)N1CCCC1 ZINC001180580385 1205826122 /nfs/dbraw/zinc/82/61/22/1205826122.db2.gz SCUYFFJCQVWCGH-MLHJIOFPSA-N 0 3 379.501 0.441 20 0 GCADHN C[C@H](C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1 ZINC001180581199 1205826222 /nfs/dbraw/zinc/82/62/22/1205826222.db2.gz BSHNJLNQZKIZRC-OAHLLOKOSA-N 0 3 381.498 0.808 20 0 GCADHN C[C@H](C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21)N1CCCC1 ZINC001180578599 1205826334 /nfs/dbraw/zinc/82/63/34/1205826334.db2.gz GZIUGMAVMGVRCK-SFNKJDCFSA-N 0 3 379.501 0.868 20 0 GCADHN CC(C)(C)OC(=O)N1CCN2C[C@@H](CNC(=O)[C@H]3CSCC(=O)N3)C[C@H]2C1 ZINC001180557085 1205827443 /nfs/dbraw/zinc/82/74/43/1205827443.db2.gz WNJNXSBJVFASKR-HZSPNIEDSA-N 0 3 398.529 0.275 20 0 GCADHN CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610468 1205828575 /nfs/dbraw/zinc/82/85/75/1205828575.db2.gz IVNHFAOPPLCFII-AWEZNQCLSA-N 0 3 396.488 0.616 20 0 GCADHN CN1CC[C@@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)CC1=O ZINC001180636935 1205829284 /nfs/dbraw/zinc/82/92/84/1205829284.db2.gz IAPBJAPGKKVPER-OAGGEKHMSA-N 0 3 394.516 0.912 20 0 GCADHN CC(=O)N1[C@@H](C(=O)NCC(N)=O)CSC12CCN(Cc1ccccc1)CC2 ZINC001180820789 1205833043 /nfs/dbraw/zinc/83/30/43/1205833043.db2.gz URCGXENSCHEHPO-MRXNPFEDSA-N 0 3 390.509 0.544 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001180804256 1205833562 /nfs/dbraw/zinc/83/35/62/1205833562.db2.gz RIDGXSJJINXWHT-KRWDZBQOSA-N 0 3 395.525 0.876 20 0 GCADHN CCOC(=O)C1(C(=O)N2CCOC[C@@H]2CN(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC001181575097 1205846984 /nfs/dbraw/zinc/84/69/84/1205846984.db2.gz FPOFPHHRSGPDCK-AWEZNQCLSA-N 0 3 399.488 0.576 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001181992387 1205853112 /nfs/dbraw/zinc/85/31/12/1205853112.db2.gz CCSOOVQFJQYUHW-AKHDSKFASA-N 0 3 393.528 0.831 20 0 GCADHN CN1CCC(O)(C(=O)N[C@@H](CO)[C@H](O)c2ccc(Br)cc2)CC1 ZINC001182029038 1205853601 /nfs/dbraw/zinc/85/36/01/1205853601.db2.gz MBWOXMHHHPNQDO-UONOGXRCSA-N 0 3 387.274 0.416 20 0 GCADHN CN1CCC(O)(C(=O)N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@@H]3C2)CC1 ZINC001182030403 1205853614 /nfs/dbraw/zinc/85/36/14/1205853614.db2.gz ABMJMDHHGNBWRG-HZPDHXFCSA-N 0 3 377.416 0.225 20 0 GCADHN CCN(CC)c1ccnc([C@H]2COCCN2C(=O)C2(O)CCN(C)CC2)n1 ZINC001182030708 1205853644 /nfs/dbraw/zinc/85/36/44/1205853644.db2.gz FRIWVBZNTPIXGR-OAHLLOKOSA-N 0 3 377.489 0.679 20 0 GCADHN CN1CCC(O)(C(=O)N2Cc3nccn3C[C@@H](COCc3cccnc3)C2)CC1 ZINC001182030781 1205853725 /nfs/dbraw/zinc/85/37/25/1205853725.db2.gz HRWUDIMGBQCOQW-GOSISDBHSA-N 0 3 399.495 0.910 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)CC1 ZINC001182032683 1205853804 /nfs/dbraw/zinc/85/38/04/1205853804.db2.gz UKLXLOHZIGZIFM-UHFFFAOYSA-N 0 3 387.480 0.868 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)CC1 ZINC001182032746 1205853877 /nfs/dbraw/zinc/85/38/77/1205853877.db2.gz UQALANSUCSOBHF-UHFFFAOYSA-N 0 3 386.496 0.879 20 0 GCADHN CN1CCC(O)(C(=O)N2CCc3onc(C(=O)Nc4cccnc4)c3C2)CC1 ZINC001182031864 1205854012 /nfs/dbraw/zinc/85/40/12/1205854012.db2.gz PYMHMHLWZXTMKR-UHFFFAOYSA-N 0 3 385.424 0.663 20 0 GCADHN CN(Cc1cccnc1)[C@@H]1CN(C(=O)C2(O)CCN(C)CC2)[C@@H]2CCCO[C@H]12 ZINC001182031639 1205854069 /nfs/dbraw/zinc/85/40/69/1205854069.db2.gz OGGCWYVAGVCAQP-QRVBRYPASA-N 0 3 388.512 0.729 20 0 GCADHN COc1ccc(Br)c(NC(=O)C2(O)CCN(C)CC2)c1C(N)=O ZINC001182032290 1205854099 /nfs/dbraw/zinc/85/40/99/1205854099.db2.gz CFKXADCDYZMGHI-UHFFFAOYSA-N 0 3 386.246 0.952 20 0 GCADHN CCOC(=O)C1(NC(=O)C2(O)CCN(C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC001182036065 1205854236 /nfs/dbraw/zinc/85/42/36/1205854236.db2.gz KPHMHTNMANFJNZ-UHFFFAOYSA-N 0 3 385.461 0.112 20 0 GCADHN COC(=O)C1(NC(=O)C2(O)CCN(C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001182033854 1205854330 /nfs/dbraw/zinc/85/43/30/1205854330.db2.gz QNBXRRPRJXMITR-UHFFFAOYSA-N 0 3 399.488 0.502 20 0 GCADHN COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C1(O)CCN(C)CC1 ZINC001182034791 1205854382 /nfs/dbraw/zinc/85/43/82/1205854382.db2.gz UZEIFHPLKIDUMD-SFHVURJKSA-N 0 3 389.496 0.719 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F)C1=COCCO1 ZINC001110252588 1205857705 /nfs/dbraw/zinc/85/77/05/1205857705.db2.gz NGNFZWZNIYLNPN-LPWJVIDDSA-N 0 3 380.363 0.536 20 0 GCADHN O=C(Cn1cccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001110281087 1205866180 /nfs/dbraw/zinc/86/61/80/1205866180.db2.gz DPBWUBVKSSXODM-ATLSCFEFSA-N 0 3 378.473 0.161 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000774244899 1205867512 /nfs/dbraw/zinc/86/75/12/1205867512.db2.gz PKLBKQZWUDVIJQ-IMJJTQAJSA-N 0 3 380.489 0.665 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@@H]1CC(=O)N(CC3CC3)C1)CC2 ZINC001182455385 1205871782 /nfs/dbraw/zinc/87/17/82/1205871782.db2.gz ODMWSMAFPVKBHW-MRXNPFEDSA-N 0 3 376.501 0.448 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001110307888 1205871962 /nfs/dbraw/zinc/87/19/62/1205871962.db2.gz XBXOIBCFCRQSDG-SYQHCUMBSA-N 0 3 381.395 0.126 20 0 GCADHN CN(CCCNCc1c(CNC(=O)OC(C)(C)C)cnn1C)S(C)(=O)=O ZINC001182845788 1205880368 /nfs/dbraw/zinc/88/03/68/1205880368.db2.gz XMCINHZXTOUTNT-UHFFFAOYSA-N 0 3 389.522 0.816 20 0 GCADHN CCOC(=O)[C@]1(C)CC(=O)N(CN2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000774550067 1205880375 /nfs/dbraw/zinc/88/03/75/1205880375.db2.gz BEJIFPXOQQMNPE-LJQANCHMSA-N 0 3 382.505 0.232 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183002013 1205884691 /nfs/dbraw/zinc/88/46/91/1205884691.db2.gz OVGFEPBATNAIMV-LSDHHAIUSA-N 0 3 382.505 0.912 20 0 GCADHN Cn1nnnc1NC(=O)C1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183133751 1205886891 /nfs/dbraw/zinc/88/68/91/1205886891.db2.gz RVGGFBKQIHUAIH-ZDUSSCGKSA-N 0 3 379.465 0.870 20 0 GCADHN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)N[C@]3(C)CCCN(C)C3)=C([C@H]3CCCO3)S[C@H]12 ZINC001183463386 1205893330 /nfs/dbraw/zinc/89/33/30/1205893330.db2.gz IRINGPMFVMBVEF-JJJWGTGCSA-N 0 3 395.525 0.890 20 0 GCADHN CC[C@@H]1CCN(CC(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)C1=O ZINC001183668851 1205897334 /nfs/dbraw/zinc/89/73/34/1205897334.db2.gz BXTKEYWAQRDTGD-OAHLLOKOSA-N 0 3 397.483 0.958 20 0 GCADHN CC(C)(C)N(C(=O)Cn1cc(F)c(=O)[n-]c1=O)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001183656336 1205898022 /nfs/dbraw/zinc/89/80/22/1205898022.db2.gz HPKWFMGIIBAHJW-GFCCVEGCSA-N 0 3 382.436 0.626 20 0 GCADHN O=C(Cn1cc(F)c(=O)[n-]c1=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001183660729 1205898247 /nfs/dbraw/zinc/89/82/47/1205898247.db2.gz YRMPXYAQMDVGOO-UHFFFAOYSA-N 0 3 398.398 0.816 20 0 GCADHN NC[C@@H](NC(=O)C1(CO)COC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001184046345 1205904540 /nfs/dbraw/zinc/90/45/40/1205904540.db2.gz HKMWDKONSIPYCG-LJQANCHMSA-N 0 3 396.443 0.795 20 0 GCADHN N[C@@H]1NCN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@@H]2NCN[C@H]21 ZINC001184404858 1205909110 /nfs/dbraw/zinc/90/91/10/1205909110.db2.gz MTGMWFUZSDFCPQ-XBVQOTNRSA-N 0 3 378.908 0.071 20 0 GCADHN CCCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184434173 1205910462 /nfs/dbraw/zinc/91/04/62/1205910462.db2.gz SKVIFCFVTKWLFO-HLUFSKSISA-N 0 3 378.473 0.226 20 0 GCADHN CCCN(CCC)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001184483194 1205911117 /nfs/dbraw/zinc/91/11/17/1205911117.db2.gz CBLXBOJZOSZDQX-MJQMVNBJSA-N 0 3 381.517 0.877 20 0 GCADHN Cc1nc(I)oc1C(=O)N1CCOC[C@H]1CN(C)C ZINC001184647901 1205912616 /nfs/dbraw/zinc/91/26/16/1205912616.db2.gz YQNKNRIYMZODTO-SECBINFHSA-N 0 3 379.198 0.990 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1cccs1 ZINC000774853028 1205920879 /nfs/dbraw/zinc/92/08/79/1205920879.db2.gz GILADBXISDJWCS-RRFJBIMHSA-N 0 3 380.514 0.446 20 0 GCADHN C[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2C(=O)NCC(F)(F)F)N1CCCC1 ZINC001273504247 1205922775 /nfs/dbraw/zinc/92/27/75/1205922775.db2.gz DICQNPQQKIXDPC-UPJWGTAASA-N 0 3 378.395 0.654 20 0 GCADHN C[C@H](C(=O)N1CC2(C1)CCN(S(=O)(=O)c1cn(C)cn1)C2)N1CCCC1 ZINC001273505224 1205924692 /nfs/dbraw/zinc/92/46/92/1205924692.db2.gz XSPHZJBKLCIVFC-CQSZACIVSA-N 0 3 381.502 0.127 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)NCC(F)(F)F)N1CCCC1 ZINC001273505315 1205924709 /nfs/dbraw/zinc/92/47/09/1205924709.db2.gz ZSUXECYAQWNMBH-RWMBFGLXSA-N 0 3 378.395 0.654 20 0 GCADHN C[NH+](C)CCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185589473 1205924934 /nfs/dbraw/zinc/92/49/34/1205924934.db2.gz ZATTYAQCWIUNOK-UHFFFAOYSA-N 0 3 379.490 0.125 20 0 GCADHN C[NH+](C)CCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185589473 1205924936 /nfs/dbraw/zinc/92/49/36/1205924936.db2.gz ZATTYAQCWIUNOK-UHFFFAOYSA-N 0 3 379.490 0.125 20 0 GCADHN C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185578184 1205925767 /nfs/dbraw/zinc/92/57/67/1205925767.db2.gz CNGAEXRERMWRMP-JKSUJKDBSA-N 0 3 391.501 0.266 20 0 GCADHN C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185578184 1205925769 /nfs/dbraw/zinc/92/57/69/1205925769.db2.gz CNGAEXRERMWRMP-JKSUJKDBSA-N 0 3 391.501 0.266 20 0 GCADHN COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@]1(C)CCCN(C)C1)C(C)C ZINC001185684741 1205927372 /nfs/dbraw/zinc/92/73/72/1205927372.db2.gz BLGJWSVXKVAMRI-YZVOILCLSA-N 0 3 382.505 0.959 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1)C1=COCCC1 ZINC001110367795 1205928431 /nfs/dbraw/zinc/92/84/31/1205928431.db2.gz XAYNYGUYRFWBDN-RWQQGDIJSA-N 0 3 380.485 0.959 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1)Cc1ccccc1 ZINC000774926894 1205929299 /nfs/dbraw/zinc/92/92/99/1205929299.db2.gz XUBLMKNSXHOQIJ-ROUUACIJSA-N 0 3 389.496 0.887 20 0 GCADHN CC(C)(C)OC(=O)NC1CCN([C@@H]2CCN(C(=O)CN3CC[C@H](O)C3)C2)CC1 ZINC001186044993 1205934240 /nfs/dbraw/zinc/93/42/40/1205934240.db2.gz NYJVJFVBINUJBX-SJORKVTESA-N 0 3 396.532 0.643 20 0 GCADHN COC(=O)[C@H]1CCN(CC(=O)NCCN(C)CCNC(=O)OC(C)(C)C)C1 ZINC001186116983 1205935633 /nfs/dbraw/zinc/93/56/33/1205935633.db2.gz QIRKGZADFIMTQL-AWEZNQCLSA-N 0 3 386.493 0.054 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C(N)=O)oc1C ZINC001186357993 1205938726 /nfs/dbraw/zinc/93/87/26/1205938726.db2.gz OJHLHDJGYDSIGW-AWEZNQCLSA-N 0 3 386.518 0.724 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccnc2C(=O)OC)CC1 ZINC001186672454 1205944734 /nfs/dbraw/zinc/94/47/34/1205944734.db2.gz OYXYBZVPFHEAGS-UHFFFAOYSA-N 0 3 398.485 0.043 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)Cc2noc(C3CC3)n2)CC1 ZINC001186672528 1205944949 /nfs/dbraw/zinc/94/49/49/1205944949.db2.gz RXPVNUKZPADVNI-UHFFFAOYSA-N 0 3 385.490 0.263 20 0 GCADHN CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)N(c2ncccn2)C2CNC2)C1 ZINC001186795161 1205948720 /nfs/dbraw/zinc/94/87/20/1205948720.db2.gz JFSZQLMAAUSHLM-IFXJQAMLSA-N 0 3 388.424 0.289 20 0 GCADHN Cc1nc2ccccc2n1CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000775109414 1205959404 /nfs/dbraw/zinc/95/94/04/1205959404.db2.gz UALLCPMWVYYUOQ-IAGOWNOFSA-N 0 3 399.495 0.830 20 0 GCADHN Cc1nc2ccccc2n1CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000775109415 1205959480 /nfs/dbraw/zinc/95/94/80/1205959480.db2.gz UALLCPMWVYYUOQ-IRXDYDNUSA-N 0 3 399.495 0.830 20 0 GCADHN CN(C)CCn1c(=O)ccc2c1CCN(S(=O)(=O)c1nccs1)CC2 ZINC001187870903 1205971080 /nfs/dbraw/zinc/97/10/80/1205971080.db2.gz XOPNJJZJIGAVHK-UHFFFAOYSA-N 0 3 382.511 0.656 20 0 GCADHN COCc1oncc1C(=O)N1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001188321734 1205979199 /nfs/dbraw/zinc/97/91/99/1205979199.db2.gz IIGISSCTNJQCAC-UHFFFAOYSA-N 0 3 393.488 0.131 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)Cc1ccccc1NS(C)(=O)=O ZINC000110865745 1205979807 /nfs/dbraw/zinc/97/98/07/1205979807.db2.gz UIJKNHKEGGJJJF-UHFFFAOYSA-N 0 3 382.530 0.697 20 0 GCADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)c1cc(C3CC3)[nH]n1)CC2 ZINC001188388171 1205981129 /nfs/dbraw/zinc/98/11/29/1205981129.db2.gz CDHZCPXSFZGQQW-UHFFFAOYSA-N 0 3 397.483 0.607 20 0 GCADHN COC(=O)CCS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001188383890 1205981167 /nfs/dbraw/zinc/98/11/67/1205981167.db2.gz JLFOYOCZHOZPSG-CYBMUJFWSA-N 0 3 376.475 0.229 20 0 GCADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1 ZINC001188610505 1205987455 /nfs/dbraw/zinc/98/74/55/1205987455.db2.gz PKHRTQMOUNUDAU-QMGHHKNQSA-N 0 3 377.485 0.095 20 0 GCADHN COc1ccc(COCCN2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@@H]3C2)cc1 ZINC001189135825 1205997469 /nfs/dbraw/zinc/99/74/69/1205997469.db2.gz PBSQROJJIQBNDK-WZGPROSRSA-N 0 3 387.480 0.866 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCc2nc[nH]c(=O)c2C1 ZINC001189185886 1205998706 /nfs/dbraw/zinc/99/87/06/1205998706.db2.gz OGMMKUSMMOPESC-JTQLQIEISA-N 0 3 383.348 0.754 20 0 GCADHN O=C(NCc1ccc(OC(F)F)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000775234590 1206001598 /nfs/dbraw/zinc/00/15/98/1206001598.db2.gz RGZYPQFHEFRSBY-ZFWWWQNUSA-N 0 3 383.395 0.884 20 0 GCADHN COCc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)o1 ZINC001189258345 1206001903 /nfs/dbraw/zinc/00/19/03/1206001903.db2.gz YYXFSEIJHVDQRF-UHFFFAOYSA-N 0 3 392.500 0.736 20 0 GCADHN O=C(Cc1cc[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001110409836 1206009235 /nfs/dbraw/zinc/00/92/35/1206009235.db2.gz NUJJSHUPWWXKRR-ATLSCFEFSA-N 0 3 378.473 0.230 20 0 GCADHN CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1C)C2 ZINC001110410123 1206009493 /nfs/dbraw/zinc/00/94/93/1206009493.db2.gz WSCCCXNDIMQESN-DGAVXFQQSA-N 0 3 376.461 0.596 20 0 GCADHN CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001273586068 1206015009 /nfs/dbraw/zinc/01/50/09/1206015009.db2.gz OEOJDFRORGTWII-RWMBFGLXSA-N 0 3 378.395 0.242 20 0 GCADHN CC(C)N1CCN(C2CCN(C(=O)CN3CCCCC(=O)C3=O)CC2)CC1 ZINC000867053470 1206015212 /nfs/dbraw/zinc/01/52/12/1206015212.db2.gz DNJGXDYXMLQOHX-UHFFFAOYSA-N 0 3 378.517 0.585 20 0 GCADHN CCc1cc(C(=O)N2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)no1 ZINC001190001372 1206023823 /nfs/dbraw/zinc/02/38/23/1206023823.db2.gz UZXLTZLHNHBJMW-UHFFFAOYSA-N 0 3 377.489 0.547 20 0 GCADHN CC[C@H](C)[C@H](NC(=O)N1CCCn2c(=O)cc(CN(C)C)nc2C1)C(=O)OC ZINC001190142106 1206026741 /nfs/dbraw/zinc/02/67/41/1206026741.db2.gz YQEZAWKCLHFZLG-GUYCJALGSA-N 0 3 393.488 0.808 20 0 GCADHN COCCN1CCOC[C@]2(CCCN(C(=O)N[C@H](C(=O)OC)C(C)C)C2)C1 ZINC001190214955 1206031068 /nfs/dbraw/zinc/03/10/68/1206031068.db2.gz PSMWLTFJYCVVGP-QFBILLFUSA-N 0 3 385.505 0.954 20 0 GCADHN COC(=O)[C@@H](NC(=O)N1CCCn2c(=O)cc(CN(C)C)nc2C1)C(C)C ZINC001190215089 1206031144 /nfs/dbraw/zinc/03/11/44/1206031144.db2.gz CGNPTYJOCHACFD-INIZCTEOSA-N 0 3 379.461 0.418 20 0 GCADHN COC(=O)[C@H](C)NC(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001190558717 1206038123 /nfs/dbraw/zinc/03/81/23/1206038123.db2.gz QNIPYDOGZUIETK-MJBXVCDLSA-N 0 3 384.477 0.788 20 0 GCADHN COC(=O)[C@H](C)NC(=O)N[C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001190557953 1206038451 /nfs/dbraw/zinc/03/84/51/1206038451.db2.gz KGPLNKINWPUTCD-HOCLYGCPSA-N 0 3 390.484 0.662 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CCN(C)C[C@@H]3C(=O)OC)cc2)CC1 ZINC001190849162 1206048350 /nfs/dbraw/zinc/04/83/50/1206048350.db2.gz CQZSLAVRRKIWHB-LJQANCHMSA-N 0 3 388.512 0.753 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)NC3CN(S(C)(=O)=O)C3)cc2)CC1 ZINC001190857330 1206048390 /nfs/dbraw/zinc/04/83/90/1206048390.db2.gz ITTBYZAFRKHEQG-UHFFFAOYSA-N 0 3 380.514 0.198 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)NCCS(=O)(=O)N(C)C)cc2)CC1 ZINC001190865709 1206048812 /nfs/dbraw/zinc/04/88/12/1206048812.db2.gz IHIZGMRPICEWNV-UHFFFAOYSA-N 0 3 382.530 0.445 20 0 GCADHN Cn1cncc1CN1C[C@@]2(CCN(C(=O)c3[nH]ncc3Cl)C2)OCC1=O ZINC001273612675 1206052774 /nfs/dbraw/zinc/05/27/74/1206052774.db2.gz XOTSJFKKHFATDS-INIZCTEOSA-N 0 3 378.820 0.440 20 0 GCADHN O=C(c1[nH]ncc1Cl)N1CC[C@@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001273612759 1206053487 /nfs/dbraw/zinc/05/34/87/1206053487.db2.gz YTQZMHSJENXGPI-KRWDZBQOSA-N 0 3 381.864 0.460 20 0 GCADHN CCOC(=O)Cc1cnc(N2CCC3(CCCN3CC(=O)NC)CC2)nc1 ZINC001164686760 719723868 /nfs/dbraw/zinc/72/38/68/719723868.db2.gz RIADCHFXLDOOPQ-UHFFFAOYSA-N 0 3 375.473 0.763 20 0 GCADHN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cc2c(nn1)CCNC2 ZINC001164697788 719861059 /nfs/dbraw/zinc/86/10/59/719861059.db2.gz AQHFNMCWBPECGR-DNVCBOLYSA-N 0 3 375.473 0.355 20 0 GCADHN CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(N(C)C)nc(C)n3)C2)C1 ZINC001164720351 720219241 /nfs/dbraw/zinc/21/92/41/720219241.db2.gz YYDJGERSKAZLHW-LJQANCHMSA-N 0 3 376.505 0.516 20 0 GCADHN COc1cc(N2Cc3nccn3C[C@H](CN(C)C)C2)nc(S(C)(=O)=O)n1 ZINC001164726781 720515915 /nfs/dbraw/zinc/51/59/15/720515915.db2.gz DTAAPQBDZCVTJI-LBPRGKRZSA-N 0 3 380.474 0.283 20 0 GCADHN c1ncc(O[C@H]2C[C@@H]3CN(c4cc(N5CCOCC5)ncn4)CCN3C2)cn1 ZINC001164740304 720628980 /nfs/dbraw/zinc/62/89/80/720628980.db2.gz IMNPFGPTAGXJLU-CVEARBPZSA-N 0 3 383.456 0.445 20 0 GCADHN CN(C)c1nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2nc[nH]c21 ZINC001164736955 720718257 /nfs/dbraw/zinc/71/82/57/720718257.db2.gz CKXQJSYFJDBOLV-STQMWFEESA-N 0 3 381.444 0.551 20 0 GCADHN CN(C)c1nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2nc[nH]c21 ZINC001164736953 720719555 /nfs/dbraw/zinc/71/95/55/720719555.db2.gz CKXQJSYFJDBOLV-QWHCGFSZSA-N 0 3 381.444 0.551 20 0 GCADHN CCOC(=O)Cc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164742140 720735331 /nfs/dbraw/zinc/73/53/31/720735331.db2.gz NOPFZSUORIVVSL-CVEARBPZSA-N 0 3 384.440 0.714 20 0 GCADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164739422 720758017 /nfs/dbraw/zinc/75/80/17/720758017.db2.gz IOBQVAAMOFLKCJ-ZIAGYGMSSA-N 0 3 390.469 0.122 20 0 GCADHN c1ncn(Cc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2)n1 ZINC001164739931 720762517 /nfs/dbraw/zinc/76/25/17/720762517.db2.gz JYIFPYFBCAMQQJ-IAGOWNOFSA-N 0 3 378.440 0.853 20 0 GCADHN CN(C)C(=O)COCc1nnc2n1CCN(c1ccc(CN(C)C3CC3)cn1)C2 ZINC001165011758 721723497 /nfs/dbraw/zinc/72/34/97/721723497.db2.gz UAMWLIKUHKNXPL-UHFFFAOYSA-N 0 3 399.499 0.892 20 0 GCADHN Cc1nc2cnc(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)nc2[nH]1 ZINC001164997758 722236254 /nfs/dbraw/zinc/23/62/54/722236254.db2.gz VOASGMKUKZBKHT-UHFFFAOYSA-N 0 3 379.472 0.760 20 0 GCADHN O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738073914 945180522 /nfs/dbraw/zinc/18/05/22/945180522.db2.gz DBHYCFCKDMDMAX-HNNXBMFYSA-N 0 3 385.476 0.943 20 0 GCADHN O=C(Cn1cncn1)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571258704 945362543 /nfs/dbraw/zinc/36/25/43/945362543.db2.gz ZSCFLCIZXOQWNP-AWEZNQCLSA-N 0 3 385.407 0.378 20 0 GCADHN CC1(C)CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571258637 945362729 /nfs/dbraw/zinc/36/27/29/945362729.db2.gz XZFDALHUMHTTNL-UONOGXRCSA-N 0 3 385.428 0.302 20 0 GCADHN CC1(C)CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571258637 945362742 /nfs/dbraw/zinc/36/27/42/945362742.db2.gz XZFDALHUMHTTNL-UONOGXRCSA-N 0 3 385.428 0.302 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571259182 945379016 /nfs/dbraw/zinc/37/90/16/945379016.db2.gz DEOALZJLBRLLMB-RCBQFDQVSA-N 0 3 385.447 0.743 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571259182 945379022 /nfs/dbraw/zinc/37/90/22/945379022.db2.gz DEOALZJLBRLLMB-RCBQFDQVSA-N 0 3 385.447 0.743 20 0 GCADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1COC(=O)N1 ZINC001571259931 945403291 /nfs/dbraw/zinc/40/32/91/945403291.db2.gz SGAQFRBYGAFGPL-CFVMTHIKSA-N 0 3 385.428 0.350 20 0 GCADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1COC(=O)N1 ZINC001571259931 945403294 /nfs/dbraw/zinc/40/32/94/945403294.db2.gz SGAQFRBYGAFGPL-CFVMTHIKSA-N 0 3 385.428 0.350 20 0 GCADHN CN1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001571264006 945473762 /nfs/dbraw/zinc/47/37/62/945473762.db2.gz DNBVUMDIQIVBJW-KRWDZBQOSA-N 0 3 385.472 0.278 20 0 GCADHN CN1CCO[C@H](C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001571264006 945473766 /nfs/dbraw/zinc/47/37/66/945473766.db2.gz DNBVUMDIQIVBJW-KRWDZBQOSA-N 0 3 385.472 0.278 20 0 GCADHN C[NH+](C)C1(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001571265237 945503622 /nfs/dbraw/zinc/50/36/22/945503622.db2.gz DELGKKPNWBUZHG-CYBMUJFWSA-N 0 3 385.476 0.792 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571265702 945518109 /nfs/dbraw/zinc/51/81/09/945518109.db2.gz IUERIZAZLWSDFD-HIFRSBDPSA-N 0 3 385.476 0.567 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571265702 945518117 /nfs/dbraw/zinc/51/81/17/945518117.db2.gz IUERIZAZLWSDFD-HIFRSBDPSA-N 0 3 385.476 0.567 20 0 GCADHN CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571265726 945519213 /nfs/dbraw/zinc/51/92/13/945519213.db2.gz JDQPJPIAFIQEPX-UKRRQHHQSA-N 0 3 385.476 0.616 20 0 GCADHN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571265726 945519219 /nfs/dbraw/zinc/51/92/19/945519219.db2.gz JDQPJPIAFIQEPX-UKRRQHHQSA-N 0 3 385.476 0.616 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265958 945525905 /nfs/dbraw/zinc/52/59/05/945525905.db2.gz LRZCMPCZQPSOOY-CZUORRHYSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265958 945525916 /nfs/dbraw/zinc/52/59/16/945525916.db2.gz LRZCMPCZQPSOOY-CZUORRHYSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265958 945525922 /nfs/dbraw/zinc/52/59/22/945525922.db2.gz LRZCMPCZQPSOOY-CZUORRHYSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265958 945525928 /nfs/dbraw/zinc/52/59/28/945525928.db2.gz LRZCMPCZQPSOOY-CZUORRHYSA-N 0 3 385.472 0.940 20 0 GCADHN CCc1nc(NC[C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)cc(-c2nnn[n-]2)n1 ZINC001571265976 945526332 /nfs/dbraw/zinc/52/63/32/945526332.db2.gz MDOSTMGFMQLYJT-GXTWGEPZSA-N 0 3 385.476 0.716 20 0 GCADHN CCc1nc(NC[C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)cc(-c2nnn[n-]2)n1 ZINC001571265976 945526337 /nfs/dbraw/zinc/52/63/37/945526337.db2.gz MDOSTMGFMQLYJT-GXTWGEPZSA-N 0 3 385.476 0.716 20 0 GCADHN CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266171 945533819 /nfs/dbraw/zinc/53/38/19/945533819.db2.gz NCWLLVBJIYXRDG-UKRRQHHQSA-N 0 3 385.476 0.568 20 0 GCADHN CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266171 945533823 /nfs/dbraw/zinc/53/38/23/945533823.db2.gz NCWLLVBJIYXRDG-UKRRQHHQSA-N 0 3 385.476 0.568 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266218 945534213 /nfs/dbraw/zinc/53/42/13/945534213.db2.gz NVBWAUQVIQEIHL-UKRRQHHQSA-N 0 3 385.476 0.934 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266218 945534222 /nfs/dbraw/zinc/53/42/22/945534222.db2.gz NVBWAUQVIQEIHL-UKRRQHHQSA-N 0 3 385.476 0.934 20 0 GCADHN CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266167 945534268 /nfs/dbraw/zinc/53/42/68/945534268.db2.gz NCWLLVBJIYXRDG-DZGCQCFKSA-N 0 3 385.476 0.568 20 0 GCADHN CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266167 945534276 /nfs/dbraw/zinc/53/42/76/945534276.db2.gz NCWLLVBJIYXRDG-DZGCQCFKSA-N 0 3 385.476 0.568 20 0 GCADHN CC[C@@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)[NH+](C)C ZINC001571266279 945537170 /nfs/dbraw/zinc/53/71/70/945537170.db2.gz OSSXVICBLKABJG-KSSFIOAISA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001571266543 945544344 /nfs/dbraw/zinc/54/43/44/945544344.db2.gz TWEMPYDHKZYRIO-IUODEOHRSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001571266543 945544351 /nfs/dbraw/zinc/54/43/51/945544351.db2.gz TWEMPYDHKZYRIO-IUODEOHRSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820752520 945552296 /nfs/dbraw/zinc/55/22/96/945552296.db2.gz NXCCQARRCPOJQA-CJNGLKHVSA-N 0 3 397.487 0.576 20 0 GCADHN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820752520 945552303 /nfs/dbraw/zinc/55/23/03/945552303.db2.gz NXCCQARRCPOJQA-CJNGLKHVSA-N 0 3 397.487 0.576 20 0 GCADHN CCc1nc(N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571266743 945553030 /nfs/dbraw/zinc/55/30/30/945553030.db2.gz YKCUXUQZUSGCED-JHJVBQTASA-N 0 3 385.476 0.620 20 0 GCADHN CCc1nc(N[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571266743 945553038 /nfs/dbraw/zinc/55/30/38/945553038.db2.gz YKCUXUQZUSGCED-JHJVBQTASA-N 0 3 385.476 0.620 20 0 GCADHN C[C@H]1CN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001571267090 945560700 /nfs/dbraw/zinc/56/07/00/945560700.db2.gz IZGJKEWTRMMJMW-GXFFZTMASA-N 0 3 386.391 0.887 20 0 GCADHN C[C@H]1CN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001571267090 945560707 /nfs/dbraw/zinc/56/07/07/945560707.db2.gz IZGJKEWTRMMJMW-GXFFZTMASA-N 0 3 386.391 0.887 20 0 GCADHN Cn1c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)c[nH]c1=O ZINC001571268287 945592366 /nfs/dbraw/zinc/59/23/66/945592366.db2.gz QJJNJHXPPQSFMB-XYPYZODXSA-N 0 3 386.391 0.496 20 0 GCADHN Cn1c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)c[nH]c1=O ZINC001571268287 945592370 /nfs/dbraw/zinc/59/23/70/945592370.db2.gz QJJNJHXPPQSFMB-XYPYZODXSA-N 0 3 386.391 0.496 20 0 GCADHN O=C(N1CC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1)[C@]12C[C@H]1COC2 ZINC001571268730 945603901 /nfs/dbraw/zinc/60/39/01/945603901.db2.gz IXSIAIFQGVQMRI-YFROIQMUSA-N 0 3 386.431 0.980 20 0 GCADHN O=C(N1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@]12C[C@H]1COC2 ZINC001571268730 945603905 /nfs/dbraw/zinc/60/39/05/945603905.db2.gz IXSIAIFQGVQMRI-YFROIQMUSA-N 0 3 386.431 0.980 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821189493 945648476 /nfs/dbraw/zinc/64/84/76/945648476.db2.gz MWZAOXTVYJUNBH-IRXDYDNUSA-N 0 3 387.488 0.826 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)C1 ZINC001571272249 945658565 /nfs/dbraw/zinc/65/85/65/945658565.db2.gz BUHXHQODASQEFA-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)C1 ZINC001571272249 945658572 /nfs/dbraw/zinc/65/85/72/945658572.db2.gz BUHXHQODASQEFA-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)C1 ZINC001571272249 945658575 /nfs/dbraw/zinc/65/85/75/945658575.db2.gz BUHXHQODASQEFA-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)C1 ZINC001571272249 945658584 /nfs/dbraw/zinc/65/85/84/945658584.db2.gz BUHXHQODASQEFA-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)c1-c1nnn[n-]1 ZINC001571272539 945665692 /nfs/dbraw/zinc/66/56/92/945665692.db2.gz VWSFSBQZXSIQAC-RYUDHWBXSA-N 0 3 386.485 0.517 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@@H+]1C ZINC001571272641 945667689 /nfs/dbraw/zinc/66/76/89/945667689.db2.gz GWCFDZYBXHFJEJ-KWCYVHTRSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@H+]1C ZINC001571272641 945667692 /nfs/dbraw/zinc/66/76/92/945667692.db2.gz GWCFDZYBXHFJEJ-KWCYVHTRSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@@H+]1C ZINC001571272641 945667696 /nfs/dbraw/zinc/66/76/96/945667696.db2.gz GWCFDZYBXHFJEJ-KWCYVHTRSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@H+]1C ZINC001571272641 945667698 /nfs/dbraw/zinc/66/76/98/945667698.db2.gz GWCFDZYBXHFJEJ-KWCYVHTRSA-N 0 3 386.460 0.256 20 0 GCADHN CN1CCC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571273036 945677919 /nfs/dbraw/zinc/67/79/19/945677919.db2.gz NPYVJBBIZRLJIE-WFASDCNBSA-N 0 3 386.460 0.210 20 0 GCADHN CN1CCC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571273036 945677923 /nfs/dbraw/zinc/67/79/23/945677923.db2.gz NPYVJBBIZRLJIE-WFASDCNBSA-N 0 3 386.460 0.210 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821352269 945679925 /nfs/dbraw/zinc/67/99/25/945679925.db2.gz ZXGZBGOWANRPSN-AWEZNQCLSA-N 0 3 389.460 0.587 20 0 GCADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001571273163 945681478 /nfs/dbraw/zinc/68/14/78/945681478.db2.gz QYTCEWZKONTXLA-GXTWGEPZSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001571273163 945681486 /nfs/dbraw/zinc/68/14/86/945681486.db2.gz QYTCEWZKONTXLA-GXTWGEPZSA-N 0 3 386.460 0.305 20 0 GCADHN CN1CCC[C@@H]([NH2+]C2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001571273255 945683422 /nfs/dbraw/zinc/68/34/22/945683422.db2.gz UBDAHMLCXDUHOI-JXQTWKCFSA-N 0 3 386.460 0.446 20 0 GCADHN O=C(C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCCC1 ZINC001571273389 945686811 /nfs/dbraw/zinc/68/68/11/945686811.db2.gz WQUXEUSJHJEQCT-ZIAGYGMSSA-N 0 3 386.460 0.448 20 0 GCADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC([NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC001571273559 945693434 /nfs/dbraw/zinc/69/34/34/945693434.db2.gz ZVLHGGADNGEQLQ-LBPRGKRZSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC([NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC001571273559 945693440 /nfs/dbraw/zinc/69/34/40/945693440.db2.gz ZVLHGGADNGEQLQ-LBPRGKRZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1[NH2+]CC(=O)N1CCCC1 ZINC001571275854 945717988 /nfs/dbraw/zinc/71/79/88/945717988.db2.gz DIVZFXBPCDFOMR-OCCSQVGLSA-N 0 3 386.460 0.257 20 0 GCADHN O=C(NCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1)[C@H]1COCCO1 ZINC001571276594 945731795 /nfs/dbraw/zinc/73/17/95/945731795.db2.gz JKHBEXNXGCWPSR-QGZVFWFLSA-N 0 3 386.456 0.610 20 0 GCADHN O=C(NCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1)[C@H]1COCCO1 ZINC001571276594 945731801 /nfs/dbraw/zinc/73/18/01/945731801.db2.gz JKHBEXNXGCWPSR-QGZVFWFLSA-N 0 3 386.456 0.610 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC001571276582 945732136 /nfs/dbraw/zinc/73/21/36/945732136.db2.gz IYYWMGGKFFMDBG-GDBMZVCRSA-N 0 3 386.456 0.992 20 0 GCADHN O=C([C@H]1COCCO1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571277643 945744661 /nfs/dbraw/zinc/74/46/61/945744661.db2.gz MRWAMVLLDPRNCI-DLBZAZTESA-N 0 3 386.456 0.753 20 0 GCADHN O=C([C@H]1COCCO1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571277643 945744669 /nfs/dbraw/zinc/74/46/69/945744669.db2.gz MRWAMVLLDPRNCI-DLBZAZTESA-N 0 3 386.456 0.753 20 0 GCADHN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1COCCO1 ZINC001571278531 945756032 /nfs/dbraw/zinc/75/60/32/945756032.db2.gz PBJZYTMIXWBHHJ-ZACQAIPSSA-N 0 3 386.456 0.799 20 0 GCADHN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1COCCO1 ZINC001571278531 945756039 /nfs/dbraw/zinc/75/60/39/945756039.db2.gz PBJZYTMIXWBHHJ-ZACQAIPSSA-N 0 3 386.456 0.799 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1[NH2+]CCN1CCCC1=O ZINC001571279965 945793403 /nfs/dbraw/zinc/79/34/03/945793403.db2.gz YLFNGFVXCWIFAH-OLZOCXBDSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1[NH2+]CCN1CCCC1=O ZINC001571279965 945793410 /nfs/dbraw/zinc/79/34/10/945793410.db2.gz YLFNGFVXCWIFAH-OLZOCXBDSA-N 0 3 386.460 0.257 20 0 GCADHN O=C(CO[C@@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571280005 945793753 /nfs/dbraw/zinc/79/37/53/945793753.db2.gz ZIBKNGDFLKODDR-IAGOWNOFSA-N 0 3 386.456 0.753 20 0 GCADHN O=C(CO[C@@H]1CCOC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571280005 945793765 /nfs/dbraw/zinc/79/37/65/945793765.db2.gz ZIBKNGDFLKODDR-IAGOWNOFSA-N 0 3 386.456 0.753 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573447780 945800416 /nfs/dbraw/zinc/80/04/16/945800416.db2.gz ATZYPTWANXMDNT-BRWVUGGUSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573447780 945800429 /nfs/dbraw/zinc/80/04/29/945800429.db2.gz ATZYPTWANXMDNT-BRWVUGGUSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573447781 945800779 /nfs/dbraw/zinc/80/07/79/945800779.db2.gz ATZYPTWANXMDNT-IXDOHACOSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573447781 945800793 /nfs/dbraw/zinc/80/07/93/945800793.db2.gz ATZYPTWANXMDNT-IXDOHACOSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573448202 945803835 /nfs/dbraw/zinc/80/38/35/945803835.db2.gz GZKGQDQUXLAPIO-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573448202 945803844 /nfs/dbraw/zinc/80/38/44/945803844.db2.gz GZKGQDQUXLAPIO-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573449299 945817668 /nfs/dbraw/zinc/81/76/68/945817668.db2.gz YLZWLZQCWYKTDH-MEDUHNTESA-N 0 3 389.435 0.611 20 0 GCADHN CC[C@H](C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)[NH+](C)C ZINC001571283178 945879070 /nfs/dbraw/zinc/87/90/70/945879070.db2.gz AZPAQUHQOIRCEV-DZGCQCFKSA-N 0 3 387.492 0.672 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571284366 945899911 /nfs/dbraw/zinc/89/99/11/945899911.db2.gz OIWVVTDOHVDZEE-HIFRSBDPSA-N 0 3 387.492 0.954 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573457051 945902565 /nfs/dbraw/zinc/90/25/65/945902565.db2.gz SUCANZZSWZLMSA-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573457696 945908295 /nfs/dbraw/zinc/90/82/95/945908295.db2.gz YTJVJPMDWARDFK-UHFFFAOYSA-N 0 3 385.472 0.860 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573457696 945908300 /nfs/dbraw/zinc/90/83/00/945908300.db2.gz YTJVJPMDWARDFK-UHFFFAOYSA-N 0 3 385.472 0.860 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573460093 945915347 /nfs/dbraw/zinc/91/53/47/945915347.db2.gz IVJGTDKNJLWXJM-CQSZACIVSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573460093 945915358 /nfs/dbraw/zinc/91/53/58/945915358.db2.gz IVJGTDKNJLWXJM-CQSZACIVSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573460229 945918427 /nfs/dbraw/zinc/91/84/27/945918427.db2.gz KFTWEFZTQHQGAK-INIZCTEOSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573460229 945918435 /nfs/dbraw/zinc/91/84/35/945918435.db2.gz KFTWEFZTQHQGAK-INIZCTEOSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573461592 945922802 /nfs/dbraw/zinc/92/28/02/945922802.db2.gz PTUIRXKDQXVUAA-QWRGUYRKSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573461592 945922805 /nfs/dbraw/zinc/92/28/05/945922805.db2.gz PTUIRXKDQXVUAA-QWRGUYRKSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573461591 945923161 /nfs/dbraw/zinc/92/31/61/945923161.db2.gz PTUIRXKDQXVUAA-MNOVXSKESA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573461591 945923168 /nfs/dbraw/zinc/92/31/68/945923168.db2.gz PTUIRXKDQXVUAA-MNOVXSKESA-N 0 3 391.451 0.903 20 0 GCADHN C[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571285712 945924607 /nfs/dbraw/zinc/92/46/07/945924607.db2.gz MDPWOKZDASIKAS-XHDPSFHLSA-N 0 3 388.403 0.831 20 0 GCADHN C[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571285712 945924614 /nfs/dbraw/zinc/92/46/14/945924614.db2.gz MDPWOKZDASIKAS-XHDPSFHLSA-N 0 3 388.403 0.831 20 0 GCADHN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285917 945930083 /nfs/dbraw/zinc/93/00/83/945930083.db2.gz RFQSUVOSNMJFQI-HBJVGIJOSA-N 0 3 388.403 0.552 20 0 GCADHN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571285917 945930086 /nfs/dbraw/zinc/93/00/86/945930086.db2.gz RFQSUVOSNMJFQI-HBJVGIJOSA-N 0 3 388.403 0.552 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573463473 945957345 /nfs/dbraw/zinc/95/73/45/945957345.db2.gz WWDBTAROBZVSAC-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573463473 945957355 /nfs/dbraw/zinc/95/73/55/945957355.db2.gz WWDBTAROBZVSAC-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467419 945978878 /nfs/dbraw/zinc/97/88/78/945978878.db2.gz DNDCVGHFPOZKNY-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467419 945978889 /nfs/dbraw/zinc/97/88/89/945978889.db2.gz DNDCVGHFPOZKNY-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC001573468180 945991462 /nfs/dbraw/zinc/99/14/62/945991462.db2.gz LMPNEBSCQLYIQS-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC001573468180 945991470 /nfs/dbraw/zinc/99/14/70/945991470.db2.gz LMPNEBSCQLYIQS-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573468195 945991531 /nfs/dbraw/zinc/99/15/31/945991531.db2.gz LOFBNJOXRLRAIE-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573468560 945995957 /nfs/dbraw/zinc/99/59/57/945995957.db2.gz PFULPAYCTQSIQQ-YVEFUNNKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573468560 945995969 /nfs/dbraw/zinc/99/59/69/945995969.db2.gz PFULPAYCTQSIQQ-YVEFUNNKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573470092 946016329 /nfs/dbraw/zinc/01/63/29/946016329.db2.gz BBFVZJOPKKUMNU-XJKSGUPXSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573470092 946016335 /nfs/dbraw/zinc/01/63/35/946016335.db2.gz BBFVZJOPKKUMNU-XJKSGUPXSA-N 0 3 385.472 0.862 20 0 GCADHN C[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CC1 ZINC001571290003 946025425 /nfs/dbraw/zinc/02/54/25/946025425.db2.gz SEYPYSBSXZMFAY-CQSZACIVSA-N 0 3 388.451 0.828 20 0 GCADHN C[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CC1 ZINC001571290003 946025435 /nfs/dbraw/zinc/02/54/35/946025435.db2.gz SEYPYSBSXZMFAY-CQSZACIVSA-N 0 3 388.451 0.828 20 0 GCADHN CN(C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571290064 946028576 /nfs/dbraw/zinc/02/85/76/946028576.db2.gz UMKMQRMMHDPKFJ-OLZOCXBDSA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571290064 946028586 /nfs/dbraw/zinc/02/85/86/946028586.db2.gz UMKMQRMMHDPKFJ-OLZOCXBDSA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571290064 946028596 /nfs/dbraw/zinc/02/85/96/946028596.db2.gz UMKMQRMMHDPKFJ-OLZOCXBDSA-N 0 3 388.451 0.637 20 0 GCADHN CN(C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571290064 946028608 /nfs/dbraw/zinc/02/86/08/946028608.db2.gz UMKMQRMMHDPKFJ-OLZOCXBDSA-N 0 3 388.451 0.637 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470651 946033251 /nfs/dbraw/zinc/03/32/51/946033251.db2.gz IJKVXJSCZAFGSM-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573470651 946033263 /nfs/dbraw/zinc/03/32/63/946033263.db2.gz IJKVXJSCZAFGSM-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573470797 946035965 /nfs/dbraw/zinc/03/59/65/946035965.db2.gz JQZQGGVIXDSBFM-ABAIWWIYSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573470797 946035974 /nfs/dbraw/zinc/03/59/74/946035974.db2.gz JQZQGGVIXDSBFM-ABAIWWIYSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472193 946062374 /nfs/dbraw/zinc/06/23/74/946062374.db2.gz UNTCGXDOJKYRRH-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472193 946062388 /nfs/dbraw/zinc/06/23/88/946062388.db2.gz UNTCGXDOJKYRRH-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571292031 946086166 /nfs/dbraw/zinc/08/61/66/946086166.db2.gz TUIYLFRVUWOQSI-FZMZJTMJSA-N 0 3 389.391 0.195 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573476103 946112146 /nfs/dbraw/zinc/11/21/46/946112146.db2.gz ZCLRVHVTXQMUEL-DVOMOZLQSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573476103 946112153 /nfs/dbraw/zinc/11/21/53/946112153.db2.gz ZCLRVHVTXQMUEL-DVOMOZLQSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573476849 946126077 /nfs/dbraw/zinc/12/60/77/946126077.db2.gz JVBHSWOFBMVSNS-JQRITLKVSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573476849 946126080 /nfs/dbraw/zinc/12/60/80/946126080.db2.gz JVBHSWOFBMVSNS-JQRITLKVSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573476887 946126287 /nfs/dbraw/zinc/12/62/87/946126287.db2.gz KQIYHTSWJWFKHI-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573476887 946126294 /nfs/dbraw/zinc/12/62/94/946126294.db2.gz KQIYHTSWJWFKHI-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573476850 946126422 /nfs/dbraw/zinc/12/64/22/946126422.db2.gz JVBHSWOFBMVSNS-UWTIGNOOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573476850 946126427 /nfs/dbraw/zinc/12/64/27/946126427.db2.gz JVBHSWOFBMVSNS-UWTIGNOOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573477064 946127806 /nfs/dbraw/zinc/12/78/06/946127806.db2.gz LYMXONXGYZHRNO-CDEQTRAXSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573477064 946127813 /nfs/dbraw/zinc/12/78/13/946127813.db2.gz LYMXONXGYZHRNO-CDEQTRAXSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573477051 946128632 /nfs/dbraw/zinc/12/86/32/946128632.db2.gz LSYCHWXXCKVOTI-QWRGUYRKSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573477051 946128636 /nfs/dbraw/zinc/12/86/36/946128636.db2.gz LSYCHWXXCKVOTI-QWRGUYRKSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573477093 946130535 /nfs/dbraw/zinc/13/05/35/946130535.db2.gz MQHIBKIHNAUFBM-QFYYESIMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477286 946132506 /nfs/dbraw/zinc/13/25/06/946132506.db2.gz NYKBWHJVMCNHCJ-MNOVXSKESA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573477286 946132512 /nfs/dbraw/zinc/13/25/12/946132512.db2.gz NYKBWHJVMCNHCJ-MNOVXSKESA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477359 946135040 /nfs/dbraw/zinc/13/50/40/946135040.db2.gz PDDRXRSVZUPLNK-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477359 946135046 /nfs/dbraw/zinc/13/50/46/946135046.db2.gz PDDRXRSVZUPLNK-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573479375 946158241 /nfs/dbraw/zinc/15/82/41/946158241.db2.gz CDPOOCCCGLWWHX-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573479828 946167342 /nfs/dbraw/zinc/16/73/42/946167342.db2.gz HTDVGYITOYAKHF-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573479828 946167351 /nfs/dbraw/zinc/16/73/51/946167351.db2.gz HTDVGYITOYAKHF-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC001573479964 946171011 /nfs/dbraw/zinc/17/10/11/946171011.db2.gz IRJCHOQLYHMQFJ-LLVKDONJSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC001573479964 946171017 /nfs/dbraw/zinc/17/10/17/946171017.db2.gz IRJCHOQLYHMQFJ-LLVKDONJSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573481044 946180734 /nfs/dbraw/zinc/18/07/34/946180734.db2.gz NQLWDWMANYXWBG-HWPZZCPQSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573481044 946180742 /nfs/dbraw/zinc/18/07/42/946180742.db2.gz NQLWDWMANYXWBG-HWPZZCPQSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573481392 946182775 /nfs/dbraw/zinc/18/27/75/946182775.db2.gz OYZJNAOQMLBWSD-GWMXKSKGSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573481392 946182786 /nfs/dbraw/zinc/18/27/86/946182786.db2.gz OYZJNAOQMLBWSD-GWMXKSKGSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001573481644 946184373 /nfs/dbraw/zinc/18/43/73/946184373.db2.gz QMYZZWFSRACWDP-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573481708 946187163 /nfs/dbraw/zinc/18/71/63/946187163.db2.gz RBSBBDJOYRXEIJ-ZBEGNZNMSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001573481708 946187170 /nfs/dbraw/zinc/18/71/70/946187170.db2.gz RBSBBDJOYRXEIJ-ZBEGNZNMSA-N 0 3 391.451 0.761 20 0 GCADHN O=C([C@H]1COCCO1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571296251 946189745 /nfs/dbraw/zinc/18/97/45/946189745.db2.gz RVQFZWBQPOHSGI-CZUORRHYSA-N 0 3 390.419 0.502 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573482264 946194232 /nfs/dbraw/zinc/19/42/32/946194232.db2.gz VVPJSWSOGAEKFN-MGPLVRAMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573482263 946194883 /nfs/dbraw/zinc/19/48/83/946194883.db2.gz VVPJSWSOGAEKFN-HWPZZCPQSA-N 0 3 389.435 0.515 20 0 GCADHN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571298228 946211967 /nfs/dbraw/zinc/21/19/67/946211967.db2.gz KKQRUOOBDLIGNH-ZFWWWQNUSA-N 0 3 390.469 0.134 20 0 GCADHN O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)c1cn2c(n1)CCC2 ZINC001571298443 946216440 /nfs/dbraw/zinc/21/64/40/946216440.db2.gz NXEMNHKCIJUQIB-HWWDLCQESA-N 0 3 390.451 0.870 20 0 GCADHN O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)c1cn2c(n1)CCC2 ZINC001571298443 946216450 /nfs/dbraw/zinc/21/64/50/946216450.db2.gz NXEMNHKCIJUQIB-HWWDLCQESA-N 0 3 390.451 0.870 20 0 GCADHN O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)c1cn2c(n1)CCC2 ZINC001571298443 946216459 /nfs/dbraw/zinc/21/64/59/946216459.db2.gz NXEMNHKCIJUQIB-HWWDLCQESA-N 0 3 390.451 0.870 20 0 GCADHN O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)c1cn2c(n1)CCC2 ZINC001571298443 946216467 /nfs/dbraw/zinc/21/64/67/946216467.db2.gz NXEMNHKCIJUQIB-HWWDLCQESA-N 0 3 390.451 0.870 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001573485775 946231619 /nfs/dbraw/zinc/23/16/19/946231619.db2.gz YQSDSYZDBHDTAS-XJKCOSOUSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001573485775 946231627 /nfs/dbraw/zinc/23/16/27/946231627.db2.gz YQSDSYZDBHDTAS-XJKCOSOUSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001573485775 946231636 /nfs/dbraw/zinc/23/16/36/946231636.db2.gz YQSDSYZDBHDTAS-XJKCOSOUSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001573485775 946231642 /nfs/dbraw/zinc/23/16/42/946231642.db2.gz YQSDSYZDBHDTAS-XJKCOSOUSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573487649 946257705 /nfs/dbraw/zinc/25/77/05/946257705.db2.gz QQCQFTHLRSEJAM-TVYUQYBPSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573487649 946257717 /nfs/dbraw/zinc/25/77/17/946257717.db2.gz QQCQFTHLRSEJAM-TVYUQYBPSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)NC1(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573489067 946284649 /nfs/dbraw/zinc/28/46/49/946284649.db2.gz WOANDAUYKZVOBQ-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573489067 946284659 /nfs/dbraw/zinc/28/46/59/946284659.db2.gz WOANDAUYKZVOBQ-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573489169 946286861 /nfs/dbraw/zinc/28/68/61/946286861.db2.gz ZZBYMJNUUAIZKH-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573489169 946286867 /nfs/dbraw/zinc/28/68/67/946286867.db2.gz ZZBYMJNUUAIZKH-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000823210618 946344198 /nfs/dbraw/zinc/34/41/98/946344198.db2.gz CFFXMIFYUVWGKH-OAHLLOKOSA-N 0 3 389.460 0.392 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573500347 946371680 /nfs/dbraw/zinc/37/16/80/946371680.db2.gz IDNBGEBAHXSWFP-FZMZJTMJSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573500347 946371692 /nfs/dbraw/zinc/37/16/92/946371692.db2.gz IDNBGEBAHXSWFP-FZMZJTMJSA-N 0 3 389.435 0.326 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571305824 946374495 /nfs/dbraw/zinc/37/44/95/946374495.db2.gz KZMGCPXTLHUMIC-OLZOCXBDSA-N 0 3 391.501 0.197 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571305824 946374507 /nfs/dbraw/zinc/37/45/07/946374507.db2.gz KZMGCPXTLHUMIC-OLZOCXBDSA-N 0 3 391.501 0.197 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573503623 946393461 /nfs/dbraw/zinc/39/34/61/946393461.db2.gz AQMYAPMAXFFNLT-RDJZCZTQSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573503623 946393474 /nfs/dbraw/zinc/39/34/74/946393474.db2.gz AQMYAPMAXFFNLT-RDJZCZTQSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573503623 946393489 /nfs/dbraw/zinc/39/34/89/946393489.db2.gz AQMYAPMAXFFNLT-RDJZCZTQSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573503623 946393495 /nfs/dbraw/zinc/39/34/95/946393495.db2.gz AQMYAPMAXFFNLT-RDJZCZTQSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573503683 946396055 /nfs/dbraw/zinc/39/60/55/946396055.db2.gz BWFZQXXWKCAPHW-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573503683 946396064 /nfs/dbraw/zinc/39/60/64/946396064.db2.gz BWFZQXXWKCAPHW-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573504259 946407640 /nfs/dbraw/zinc/40/76/40/946407640.db2.gz GHRVXJZPQIYGPV-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573504259 946407656 /nfs/dbraw/zinc/40/76/56/946407656.db2.gz GHRVXJZPQIYGPV-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573504275 946408879 /nfs/dbraw/zinc/40/88/79/946408879.db2.gz HTVRSZIPNQHVED-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573504275 946408886 /nfs/dbraw/zinc/40/88/86/946408886.db2.gz HTVRSZIPNQHVED-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C[C@H]1C ZINC001573505258 946419098 /nfs/dbraw/zinc/41/90/98/946419098.db2.gz LPZBXYIUYKDMKH-ABAIWWIYSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1C ZINC001573505258 946419103 /nfs/dbraw/zinc/41/91/03/946419103.db2.gz LPZBXYIUYKDMKH-ABAIWWIYSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573505601 946422269 /nfs/dbraw/zinc/42/22/69/946422269.db2.gz LTYKEIOAWQGJND-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573505601 946422279 /nfs/dbraw/zinc/42/22/79/946422279.db2.gz LTYKEIOAWQGJND-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573505645 946424240 /nfs/dbraw/zinc/42/42/40/946424240.db2.gz MJBUVACNFWXPDF-AWEZNQCLSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573505645 946424247 /nfs/dbraw/zinc/42/42/47/946424247.db2.gz MJBUVACNFWXPDF-AWEZNQCLSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573506067 946430869 /nfs/dbraw/zinc/43/08/69/946430869.db2.gz OVMFSKGMAWVWHK-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573506067 946430879 /nfs/dbraw/zinc/43/08/79/946430879.db2.gz OVMFSKGMAWVWHK-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573506067 946430885 /nfs/dbraw/zinc/43/08/85/946430885.db2.gz OVMFSKGMAWVWHK-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573506067 946430890 /nfs/dbraw/zinc/43/08/90/946430890.db2.gz OVMFSKGMAWVWHK-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573507048 946441449 /nfs/dbraw/zinc/44/14/49/946441449.db2.gz UPVXQDLNXGCHSC-ZDUSSCGKSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573507048 946441451 /nfs/dbraw/zinc/44/14/51/946441451.db2.gz UPVXQDLNXGCHSC-ZDUSSCGKSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573507187 946443806 /nfs/dbraw/zinc/44/38/06/946443806.db2.gz XDPNNBWJEFGTGC-UHFFFAOYSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573507187 946443810 /nfs/dbraw/zinc/44/38/10/946443810.db2.gz XDPNNBWJEFGTGC-UHFFFAOYSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573507232 946445503 /nfs/dbraw/zinc/44/55/03/946445503.db2.gz XPACXWASYBETJU-LBPRGKRZSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573507232 946445509 /nfs/dbraw/zinc/44/55/09/946445509.db2.gz XPACXWASYBETJU-LBPRGKRZSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573507730 946449136 /nfs/dbraw/zinc/44/91/36/946449136.db2.gz XIZNKSUSIFEWQZ-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573507730 946449143 /nfs/dbraw/zinc/44/91/43/946449143.db2.gz XIZNKSUSIFEWQZ-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573508955 946458044 /nfs/dbraw/zinc/45/80/44/946458044.db2.gz CKQJKSQEOCTZPY-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573508955 946458053 /nfs/dbraw/zinc/45/80/53/946458053.db2.gz CKQJKSQEOCTZPY-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN NC(=O)c1ccnc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001571310204 946466393 /nfs/dbraw/zinc/46/63/93/946466393.db2.gz YGMKFYAXVDNXPR-OAHLLOKOSA-N 0 3 392.423 0.365 20 0 GCADHN NC(=O)c1ccnc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001571310204 946466401 /nfs/dbraw/zinc/46/64/01/946466401.db2.gz YGMKFYAXVDNXPR-OAHLLOKOSA-N 0 3 392.423 0.365 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573510172 946471762 /nfs/dbraw/zinc/47/17/62/946471762.db2.gz ATZQHCLSKGDHKB-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573510172 946471771 /nfs/dbraw/zinc/47/17/71/946471771.db2.gz ATZQHCLSKGDHKB-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573510172 946471780 /nfs/dbraw/zinc/47/17/80/946471780.db2.gz ATZQHCLSKGDHKB-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573510172 946471789 /nfs/dbraw/zinc/47/17/89/946471789.db2.gz ATZQHCLSKGDHKB-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573511501 946486584 /nfs/dbraw/zinc/48/65/84/946486584.db2.gz AWGNEQJCNXIPAR-SWLSCSKDSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573511501 946486590 /nfs/dbraw/zinc/48/65/90/946486590.db2.gz AWGNEQJCNXIPAR-SWLSCSKDSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573512440 946498654 /nfs/dbraw/zinc/49/86/54/946498654.db2.gz FZSKMGGNMKGQOU-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573512345 946498700 /nfs/dbraw/zinc/49/87/00/946498700.db2.gz DZEAUSAFROFIER-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573512345 946498708 /nfs/dbraw/zinc/49/87/08/946498708.db2.gz DZEAUSAFROFIER-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573512345 946498713 /nfs/dbraw/zinc/49/87/13/946498713.db2.gz DZEAUSAFROFIER-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573512345 946498720 /nfs/dbraw/zinc/49/87/20/946498720.db2.gz DZEAUSAFROFIER-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573512866 946504686 /nfs/dbraw/zinc/50/46/86/946504686.db2.gz IYIZDVOPPRRFQB-HNNXBMFYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573513722 946516144 /nfs/dbraw/zinc/51/61/44/946516144.db2.gz POHFPCUMKRZZEQ-RDJZCZTQSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573513722 946516156 /nfs/dbraw/zinc/51/61/56/946516156.db2.gz POHFPCUMKRZZEQ-RDJZCZTQSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573513928 946518415 /nfs/dbraw/zinc/51/84/15/946518415.db2.gz RGDFQUWFLMBYNK-AWEZNQCLSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573513928 946518421 /nfs/dbraw/zinc/51/84/21/946518421.db2.gz RGDFQUWFLMBYNK-AWEZNQCLSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573514180 946521334 /nfs/dbraw/zinc/52/13/34/946521334.db2.gz UNABCYOVHABEBJ-UONOGXRCSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573514180 946521344 /nfs/dbraw/zinc/52/13/44/946521344.db2.gz UNABCYOVHABEBJ-UONOGXRCSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573514295 946526012 /nfs/dbraw/zinc/52/60/12/946526012.db2.gz WUCLPBLPZVJUMT-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573514295 946526020 /nfs/dbraw/zinc/52/60/20/946526020.db2.gz WUCLPBLPZVJUMT-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573514295 946526029 /nfs/dbraw/zinc/52/60/29/946526029.db2.gz WUCLPBLPZVJUMT-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573514295 946526037 /nfs/dbraw/zinc/52/60/37/946526037.db2.gz WUCLPBLPZVJUMT-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573514524 946527387 /nfs/dbraw/zinc/52/73/87/946527387.db2.gz ZHODADATFLCQBI-IAGOWNOFSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573514524 946527395 /nfs/dbraw/zinc/52/73/95/946527395.db2.gz ZHODADATFLCQBI-IAGOWNOFSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001573517321 946568377 /nfs/dbraw/zinc/56/83/77/946568377.db2.gz HBCXNGRDPMFMCR-UHFFFAOYSA-N 0 3 385.472 0.912 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001573517321 946568384 /nfs/dbraw/zinc/56/83/84/946568384.db2.gz HBCXNGRDPMFMCR-UHFFFAOYSA-N 0 3 385.472 0.912 20 0 GCADHN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573518045 946586207 /nfs/dbraw/zinc/58/62/07/946586207.db2.gz WSDKCXQYKSTIHP-IBGZPJMESA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573518045 946586218 /nfs/dbraw/zinc/58/62/18/946586218.db2.gz WSDKCXQYKSTIHP-IBGZPJMESA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573518045 946586225 /nfs/dbraw/zinc/58/62/25/946586225.db2.gz WSDKCXQYKSTIHP-IBGZPJMESA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573518045 946586234 /nfs/dbraw/zinc/58/62/34/946586234.db2.gz WSDKCXQYKSTIHP-IBGZPJMESA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573520582 946598515 /nfs/dbraw/zinc/59/85/15/946598515.db2.gz LCGCEBSBPDVLES-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573520582 946598518 /nfs/dbraw/zinc/59/85/18/946598518.db2.gz LCGCEBSBPDVLES-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573520582 946598521 /nfs/dbraw/zinc/59/85/21/946598521.db2.gz LCGCEBSBPDVLES-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573520582 946598526 /nfs/dbraw/zinc/59/85/26/946598526.db2.gz LCGCEBSBPDVLES-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001573520941 946604021 /nfs/dbraw/zinc/60/40/21/946604021.db2.gz QCCXJDJADKYWBW-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001573520941 946604028 /nfs/dbraw/zinc/60/40/28/946604028.db2.gz QCCXJDJADKYWBW-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1 ZINC001573520941 946604031 /nfs/dbraw/zinc/60/40/31/946604031.db2.gz QCCXJDJADKYWBW-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cccc(-c2nn[n-]n2)c1 ZINC001573520941 946604038 /nfs/dbraw/zinc/60/40/38/946604038.db2.gz QCCXJDJADKYWBW-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573521264 946607327 /nfs/dbraw/zinc/60/73/27/946607327.db2.gz VHRYOSGENRICSY-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573521264 946607331 /nfs/dbraw/zinc/60/73/31/946607331.db2.gz VHRYOSGENRICSY-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573521264 946607335 /nfs/dbraw/zinc/60/73/35/946607335.db2.gz VHRYOSGENRICSY-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573521264 946607340 /nfs/dbraw/zinc/60/73/40/946607340.db2.gz VHRYOSGENRICSY-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573521829 946613102 /nfs/dbraw/zinc/61/31/02/946613102.db2.gz JNGRSMXNAUZVPT-SHTZXODSSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573521829 946613112 /nfs/dbraw/zinc/61/31/12/946613112.db2.gz JNGRSMXNAUZVPT-SHTZXODSSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573522436 946628235 /nfs/dbraw/zinc/62/82/35/946628235.db2.gz FTUJPOUCOUIANP-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573522436 946628245 /nfs/dbraw/zinc/62/82/45/946628245.db2.gz FTUJPOUCOUIANP-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573527762 946648474 /nfs/dbraw/zinc/64/84/74/946648474.db2.gz HITBBDWNKSAMRN-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573527762 946648486 /nfs/dbraw/zinc/64/84/86/946648486.db2.gz HITBBDWNKSAMRN-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573528178 946656826 /nfs/dbraw/zinc/65/68/26/946656826.db2.gz XHKWYQDYNPPSGA-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573528178 946656830 /nfs/dbraw/zinc/65/68/30/946656830.db2.gz XHKWYQDYNPPSGA-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN C[C@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824448152 946712332 /nfs/dbraw/zinc/71/23/32/946712332.db2.gz GIEXOTCBRHMUCH-CYBMUJFWSA-N 0 3 378.502 0.854 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F)C(C)C ZINC001573535366 946721585 /nfs/dbraw/zinc/72/15/85/946721585.db2.gz DISZNOOYZHQASB-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573536856 946743185 /nfs/dbraw/zinc/74/31/85/946743185.db2.gz FSKXUCNASBIMET-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC001573594651 947403591 /nfs/dbraw/zinc/40/35/91/947403591.db2.gz BVPOQGCLAHFUNU-BBRMVZONSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC001573594651 947403600 /nfs/dbraw/zinc/40/36/00/947403600.db2.gz BVPOQGCLAHFUNU-BBRMVZONSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)n1cncn1 ZINC001573596889 947431777 /nfs/dbraw/zinc/43/17/77/947431777.db2.gz LWRGBBACAZVUMX-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)n1cncn1 ZINC001573596889 947431780 /nfs/dbraw/zinc/43/17/80/947431780.db2.gz LWRGBBACAZVUMX-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1-c1nn[n-]n1)n1cncn1 ZINC001573596889 947431786 /nfs/dbraw/zinc/43/17/86/947431786.db2.gz LWRGBBACAZVUMX-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)n1cncn1 ZINC001573596889 947431793 /nfs/dbraw/zinc/43/17/93/947431793.db2.gz LWRGBBACAZVUMX-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573603572 947492817 /nfs/dbraw/zinc/49/28/17/947492817.db2.gz NRMKBKOIZIEAHL-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573603572 947492821 /nfs/dbraw/zinc/49/28/21/947492821.db2.gz NRMKBKOIZIEAHL-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573617397 947633833 /nfs/dbraw/zinc/63/38/33/947633833.db2.gz OZHUKOGVZYWGDV-UKRRQHHQSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573617397 947633847 /nfs/dbraw/zinc/63/38/47/947633847.db2.gz OZHUKOGVZYWGDV-UKRRQHHQSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573620324 947679263 /nfs/dbraw/zinc/67/92/63/947679263.db2.gz ZNKPQBYOZIETFQ-ZFWWWQNUSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573620324 947679270 /nfs/dbraw/zinc/67/92/70/947679270.db2.gz ZNKPQBYOZIETFQ-ZFWWWQNUSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCCC1 ZINC001573625236 947698644 /nfs/dbraw/zinc/69/86/44/947698644.db2.gz OOYJGUIDEHYFNB-ZIAGYGMSSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573630290 947791164 /nfs/dbraw/zinc/79/11/64/947791164.db2.gz XQUCKNVTHFCHNO-CZUORRHYSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573630290 947791169 /nfs/dbraw/zinc/79/11/69/947791169.db2.gz XQUCKNVTHFCHNO-CZUORRHYSA-N 0 3 381.444 0.800 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573387417 947910741 /nfs/dbraw/zinc/91/07/41/947910741.db2.gz ANBFEXBGXXUFCO-INIZCTEOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573387417 947910750 /nfs/dbraw/zinc/91/07/50/947910750.db2.gz ANBFEXBGXXUFCO-INIZCTEOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573387544 947911185 /nfs/dbraw/zinc/91/11/85/947911185.db2.gz CDLYFODHORVSTM-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573388069 947914986 /nfs/dbraw/zinc/91/49/86/947914986.db2.gz HNHLEHVRFPNSKE-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573389135 947924649 /nfs/dbraw/zinc/92/46/49/947924649.db2.gz QRCBVFUFNVVXSL-ZBEGNZNMSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573389135 947924653 /nfs/dbraw/zinc/92/46/53/947924653.db2.gz QRCBVFUFNVVXSL-ZBEGNZNMSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC001573390671 947929308 /nfs/dbraw/zinc/92/93/08/947929308.db2.gz ZWUGSNQOJGFVOF-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC001573390671 947929315 /nfs/dbraw/zinc/92/93/15/947929315.db2.gz ZWUGSNQOJGFVOF-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573391438 947935449 /nfs/dbraw/zinc/93/54/49/947935449.db2.gz IHOZSBXTNFXYIX-HNNXBMFYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573391438 947935454 /nfs/dbraw/zinc/93/54/54/947935454.db2.gz IHOZSBXTNFXYIX-HNNXBMFYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573391768 947936270 /nfs/dbraw/zinc/93/62/70/947936270.db2.gz JRWXGFNBIKOHQN-CQSZACIVSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573391768 947936276 /nfs/dbraw/zinc/93/62/76/947936276.db2.gz JRWXGFNBIKOHQN-CQSZACIVSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573392078 947942226 /nfs/dbraw/zinc/94/22/26/947942226.db2.gz RFSOBDVRSFYFMB-OAHLLOKOSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573392075 947942546 /nfs/dbraw/zinc/94/25/46/947942546.db2.gz RDSYLMBUDMGZCR-QGZVFWFLSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573392075 947942551 /nfs/dbraw/zinc/94/25/51/947942551.db2.gz RDSYLMBUDMGZCR-QGZVFWFLSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392377 947945810 /nfs/dbraw/zinc/94/58/10/947945810.db2.gz AEXDHSPPILUQKW-INIZCTEOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392377 947945821 /nfs/dbraw/zinc/94/58/21/947945821.db2.gz AEXDHSPPILUQKW-INIZCTEOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392377 947945827 /nfs/dbraw/zinc/94/58/27/947945827.db2.gz AEXDHSPPILUQKW-INIZCTEOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392377 947945834 /nfs/dbraw/zinc/94/58/34/947945834.db2.gz AEXDHSPPILUQKW-INIZCTEOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1C ZINC001573392336 947945919 /nfs/dbraw/zinc/94/59/19/947945919.db2.gz AAGRQWOSYUCVKW-BZNIZROVSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@H]1C ZINC001573392336 947945924 /nfs/dbraw/zinc/94/59/24/947945924.db2.gz AAGRQWOSYUCVKW-BZNIZROVSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573392635 947948990 /nfs/dbraw/zinc/94/89/90/947948990.db2.gz CUMSHOULEWMEEA-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573392635 947948998 /nfs/dbraw/zinc/94/89/98/947948998.db2.gz CUMSHOULEWMEEA-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC001573392863 947952164 /nfs/dbraw/zinc/95/21/64/947952164.db2.gz GVUXLDPUFANPDB-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC001573392863 947952166 /nfs/dbraw/zinc/95/21/66/947952166.db2.gz GVUXLDPUFANPDB-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573394042 947962100 /nfs/dbraw/zinc/96/21/00/947962100.db2.gz RZGJRYTXZHFOLJ-UHFFFAOYSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573394042 947962106 /nfs/dbraw/zinc/96/21/06/947962106.db2.gz RZGJRYTXZHFOLJ-UHFFFAOYSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573394727 947965688 /nfs/dbraw/zinc/96/56/88/947965688.db2.gz VPTIISDCCPVSQU-OAHLLOKOSA-N 0 3 389.435 0.517 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573394727 947965697 /nfs/dbraw/zinc/96/56/97/947965697.db2.gz VPTIISDCCPVSQU-OAHLLOKOSA-N 0 3 389.435 0.517 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573395155 947967585 /nfs/dbraw/zinc/96/75/85/947967585.db2.gz XIJUJLNMHDKXCI-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573395155 947967593 /nfs/dbraw/zinc/96/75/93/947967593.db2.gz XIJUJLNMHDKXCI-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573394801 947968006 /nfs/dbraw/zinc/96/80/06/947968006.db2.gz WGQRFIZJPZHZNV-CYBMUJFWSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573394801 947968016 /nfs/dbraw/zinc/96/80/16/947968016.db2.gz WGQRFIZJPZHZNV-CYBMUJFWSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573395254 947968970 /nfs/dbraw/zinc/96/89/70/947968970.db2.gz YADCQEQKLAKYAC-KRWDZBQOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573395254 947968977 /nfs/dbraw/zinc/96/89/77/947968977.db2.gz YADCQEQKLAKYAC-KRWDZBQOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573395604 947970352 /nfs/dbraw/zinc/97/03/52/947970352.db2.gz ZFOKYBKSTBYGKY-IBGZPJMESA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573395604 947970356 /nfs/dbraw/zinc/97/03/56/947970356.db2.gz ZFOKYBKSTBYGKY-IBGZPJMESA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573398497 947982568 /nfs/dbraw/zinc/98/25/68/947982568.db2.gz LVBNPHZDBPNWMV-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573399080 947988126 /nfs/dbraw/zinc/98/81/26/947988126.db2.gz SPVLEWRQURHUEE-NWDGAFQWSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573399080 947988133 /nfs/dbraw/zinc/98/81/33/947988133.db2.gz SPVLEWRQURHUEE-NWDGAFQWSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573402294 948001916 /nfs/dbraw/zinc/00/19/16/948001916.db2.gz FPRKQCWTCXIJEJ-NSHDSACASA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573402294 948001922 /nfs/dbraw/zinc/00/19/22/948001922.db2.gz FPRKQCWTCXIJEJ-NSHDSACASA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573402843 948006407 /nfs/dbraw/zinc/00/64/07/948006407.db2.gz JLJNHGUZNXAVPQ-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573402843 948006414 /nfs/dbraw/zinc/00/64/14/948006414.db2.gz JLJNHGUZNXAVPQ-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573403078 948008969 /nfs/dbraw/zinc/00/89/69/948008969.db2.gz LEQOVPPHCXZDDG-HOTGVXAUSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573403078 948008971 /nfs/dbraw/zinc/00/89/71/948008971.db2.gz LEQOVPPHCXZDDG-HOTGVXAUSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573404072 948015430 /nfs/dbraw/zinc/01/54/30/948015430.db2.gz PHQXBJCXDALJGL-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573404072 948015437 /nfs/dbraw/zinc/01/54/37/948015437.db2.gz PHQXBJCXDALJGL-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573404078 948016081 /nfs/dbraw/zinc/01/60/81/948016081.db2.gz POSOAKWWLMGLDE-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573404078 948016093 /nfs/dbraw/zinc/01/60/93/948016093.db2.gz POSOAKWWLMGLDE-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573405091 948036828 /nfs/dbraw/zinc/03/68/28/948036828.db2.gz XNRQYNWZSVDQLH-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573405091 948036835 /nfs/dbraw/zinc/03/68/35/948036835.db2.gz XNRQYNWZSVDQLH-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573405098 948037076 /nfs/dbraw/zinc/03/70/76/948037076.db2.gz XTQYUSIQSHTVEV-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573405098 948037084 /nfs/dbraw/zinc/03/70/84/948037084.db2.gz XTQYUSIQSHTVEV-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573405098 948037091 /nfs/dbraw/zinc/03/70/91/948037091.db2.gz XTQYUSIQSHTVEV-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573405098 948037105 /nfs/dbraw/zinc/03/71/05/948037105.db2.gz XTQYUSIQSHTVEV-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573664010 948046396 /nfs/dbraw/zinc/04/63/96/948046396.db2.gz QNMVJYWBNYZYFL-OPFPJEHXSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573664010 948046402 /nfs/dbraw/zinc/04/64/02/948046402.db2.gz QNMVJYWBNYZYFL-OPFPJEHXSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001573414415 948091954 /nfs/dbraw/zinc/09/19/54/948091954.db2.gz LUMNTQXXEXJOCJ-UHFFFAOYSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001573414415 948091963 /nfs/dbraw/zinc/09/19/63/948091963.db2.gz LUMNTQXXEXJOCJ-UHFFFAOYSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573414645 948098016 /nfs/dbraw/zinc/09/80/16/948098016.db2.gz MBBQPXFRZHTLIU-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573415343 948107452 /nfs/dbraw/zinc/10/74/52/948107452.db2.gz XTNWBQHVAKNWGD-HNNXBMFYSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573415343 948107458 /nfs/dbraw/zinc/10/74/58/948107458.db2.gz XTNWBQHVAKNWGD-HNNXBMFYSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573418189 948115995 /nfs/dbraw/zinc/11/59/95/948115995.db2.gz FCBJKOCUYZAIHO-CHWSQXEVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573418189 948115998 /nfs/dbraw/zinc/11/59/98/948115998.db2.gz FCBJKOCUYZAIHO-CHWSQXEVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573418192 948116437 /nfs/dbraw/zinc/11/64/37/948116437.db2.gz FCBJKOCUYZAIHO-STQMWFEESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573418192 948116442 /nfs/dbraw/zinc/11/64/42/948116442.db2.gz FCBJKOCUYZAIHO-STQMWFEESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573418512 948117123 /nfs/dbraw/zinc/11/71/23/948117123.db2.gz GHLCBUQVNSURPM-JTQLQIEISA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573418515 948117306 /nfs/dbraw/zinc/11/73/06/948117306.db2.gz GIJSRXKOQITDHS-OLZOCXBDSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573418515 948117311 /nfs/dbraw/zinc/11/73/11/948117311.db2.gz GIJSRXKOQITDHS-OLZOCXBDSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573418537 948118020 /nfs/dbraw/zinc/11/80/20/948118020.db2.gz GTCPXNXSERBHJW-QWRGUYRKSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001573418977 948119050 /nfs/dbraw/zinc/11/90/50/948119050.db2.gz ILHLAWFLLYBLRR-QGZVFWFLSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001573418977 948119059 /nfs/dbraw/zinc/11/90/59/948119059.db2.gz ILHLAWFLLYBLRR-QGZVFWFLSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001573419621 948125814 /nfs/dbraw/zinc/12/58/14/948125814.db2.gz NQLOGLXUUPSSCN-KRWDZBQOSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001573419621 948125816 /nfs/dbraw/zinc/12/58/16/948125816.db2.gz NQLOGLXUUPSSCN-KRWDZBQOSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573419884 948130334 /nfs/dbraw/zinc/13/03/34/948130334.db2.gz UUFPYBPZTNPDPA-SNVBAGLBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573419884 948130338 /nfs/dbraw/zinc/13/03/38/948130338.db2.gz UUFPYBPZTNPDPA-SNVBAGLBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001573421031 948136393 /nfs/dbraw/zinc/13/63/93/948136393.db2.gz BMBLAJXFQNQXTE-QGZVFWFLSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001573421031 948136398 /nfs/dbraw/zinc/13/63/98/948136398.db2.gz BMBLAJXFQNQXTE-QGZVFWFLSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@@H](C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCCCC1 ZINC001573677656 948139799 /nfs/dbraw/zinc/13/97/99/948139799.db2.gz YKPKJQNNDPARFW-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573423757 948145407 /nfs/dbraw/zinc/14/54/07/948145407.db2.gz PDIYLHLWSIXGCH-OAHLLOKOSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573423757 948145414 /nfs/dbraw/zinc/14/54/14/948145414.db2.gz PDIYLHLWSIXGCH-OAHLLOKOSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573423757 948145417 /nfs/dbraw/zinc/14/54/17/948145417.db2.gz PDIYLHLWSIXGCH-OAHLLOKOSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573423757 948145423 /nfs/dbraw/zinc/14/54/23/948145423.db2.gz PDIYLHLWSIXGCH-OAHLLOKOSA-N 0 3 383.456 0.283 20 0 GCADHN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573678354 948149689 /nfs/dbraw/zinc/14/96/89/948149689.db2.gz CZKCKIGQJVMIGX-DGCLKSJQSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573679699 948166119 /nfs/dbraw/zinc/16/61/19/948166119.db2.gz JOBMPGGTRKTGPN-ZYHUDNBSSA-N 0 3 390.473 0.032 20 0 GCADHN CC(=O)N1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573429331 948169512 /nfs/dbraw/zinc/16/95/12/948169512.db2.gz HEVRXVCYVYDAAL-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573429331 948169518 /nfs/dbraw/zinc/16/95/18/948169518.db2.gz HEVRXVCYVYDAAL-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573680048 948171201 /nfs/dbraw/zinc/17/12/01/948171201.db2.gz LOXNOEOEHOQASC-WBMJQRKESA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573680048 948171204 /nfs/dbraw/zinc/17/12/04/948171204.db2.gz LOXNOEOEHOQASC-WBMJQRKESA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573431016 948179757 /nfs/dbraw/zinc/17/97/57/948179757.db2.gz UHFDJKXSHDUWNJ-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573431016 948179761 /nfs/dbraw/zinc/17/97/61/948179761.db2.gz UHFDJKXSHDUWNJ-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573681026 948193334 /nfs/dbraw/zinc/19/33/34/948193334.db2.gz RRZBAZAAJWADQN-WCBMZHEXSA-N 0 3 390.341 0.771 20 0 GCADHN O=C(C[NH2+][C@@H](CO)C1CCOCC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826412236 948250430 /nfs/dbraw/zinc/25/04/30/948250430.db2.gz HKEJSXWRQIMMBL-AWEZNQCLSA-N 0 3 380.836 0.836 20 0 GCADHN O=C(C[NH2+][C@H](CO)C1CCOCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826412370 948251744 /nfs/dbraw/zinc/25/17/44/948251744.db2.gz LOXPTIKMBWHQDC-CQSZACIVSA-N 0 3 380.836 0.836 20 0 GCADHN C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCC1)n1cncn1 ZINC001573693719 948285803 /nfs/dbraw/zinc/28/58/03/948285803.db2.gz YMMREEHOEQQXAN-CYBMUJFWSA-N 0 3 381.444 0.848 20 0 GCADHN C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCC1)n1cncn1 ZINC001573693719 948285811 /nfs/dbraw/zinc/28/58/11/948285811.db2.gz YMMREEHOEQQXAN-CYBMUJFWSA-N 0 3 381.444 0.848 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573695917 948311538 /nfs/dbraw/zinc/31/15/38/948311538.db2.gz YTNCAGAKVIQBAI-DYVFJYSZSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573695917 948311547 /nfs/dbraw/zinc/31/15/47/948311547.db2.gz YTNCAGAKVIQBAI-DYVFJYSZSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573696220 948319577 /nfs/dbraw/zinc/31/95/77/948319577.db2.gz MEVXHIVRMUBWQS-NUYPLMSZSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573696220 948319587 /nfs/dbraw/zinc/31/95/87/948319587.db2.gz MEVXHIVRMUBWQS-NUYPLMSZSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573445049 948320451 /nfs/dbraw/zinc/32/04/51/948320451.db2.gz XEWUGNFNVDGWMD-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573446666 948334322 /nfs/dbraw/zinc/33/43/22/948334322.db2.gz LRQJQLYIIVAKQQ-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573446666 948334329 /nfs/dbraw/zinc/33/43/29/948334329.db2.gz LRQJQLYIIVAKQQ-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573446726 948335807 /nfs/dbraw/zinc/33/58/07/948335807.db2.gz OKOWXQWMLBQNBF-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573446726 948335816 /nfs/dbraw/zinc/33/58/16/948335816.db2.gz OKOWXQWMLBQNBF-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573446906 948338265 /nfs/dbraw/zinc/33/82/65/948338265.db2.gz RLWZCJQPLYRGLN-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573446906 948338271 /nfs/dbraw/zinc/33/82/71/948338271.db2.gz RLWZCJQPLYRGLN-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573696914 948339367 /nfs/dbraw/zinc/33/93/67/948339367.db2.gz ZYNSAMOPQPUEKG-XEBKBJJBSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573696914 948339374 /nfs/dbraw/zinc/33/93/74/948339374.db2.gz ZYNSAMOPQPUEKG-XEBKBJJBSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC001573716171 948496349 /nfs/dbraw/zinc/49/63/49/948496349.db2.gz CKKULNTXGQEYDB-NWDGAFQWSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573716171 948496353 /nfs/dbraw/zinc/49/63/53/948496353.db2.gz CKKULNTXGQEYDB-NWDGAFQWSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573730222 948579465 /nfs/dbraw/zinc/57/94/65/948579465.db2.gz ZYNSAMOPQPUEKG-DUVNUKRYSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573730222 948579470 /nfs/dbraw/zinc/57/94/70/948579470.db2.gz ZYNSAMOPQPUEKG-DUVNUKRYSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573731803 948596226 /nfs/dbraw/zinc/59/62/26/948596226.db2.gz HPOFTHGVTOQCKH-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573746034 948677426 /nfs/dbraw/zinc/67/74/26/948677426.db2.gz IHMGDEOKVKFGJQ-LEWSCRJBSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCCC1 ZINC001573747412 948690495 /nfs/dbraw/zinc/69/04/95/948690495.db2.gz OXAQSZKWTSTGPM-MELADBBJSA-N 0 3 385.476 0.980 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573748447 948696823 /nfs/dbraw/zinc/69/68/23/948696823.db2.gz UAOWXCPTGKXLSP-NOLJZWGESA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573748447 948696829 /nfs/dbraw/zinc/69/68/29/948696829.db2.gz UAOWXCPTGKXLSP-NOLJZWGESA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573752051 948710825 /nfs/dbraw/zinc/71/08/25/948710825.db2.gz KWOLSALRAXCBDX-DDWPSWQVSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573752051 948710829 /nfs/dbraw/zinc/71/08/29/948710829.db2.gz KWOLSALRAXCBDX-DDWPSWQVSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573753901 948722508 /nfs/dbraw/zinc/72/25/08/948722508.db2.gz YDKOTEYZZSLCTN-BPNCWPANSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573753901 948722514 /nfs/dbraw/zinc/72/25/14/948722514.db2.gz YDKOTEYZZSLCTN-BPNCWPANSA-N 0 3 378.458 0.037 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001575224537 948787606 /nfs/dbraw/zinc/78/76/06/948787606.db2.gz WZZFCJDQEXTSMC-ZDUSSCGKSA-N 0 3 380.399 0.869 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001575224537 948787621 /nfs/dbraw/zinc/78/76/21/948787621.db2.gz WZZFCJDQEXTSMC-ZDUSSCGKSA-N 0 3 380.399 0.869 20 0 GCADHN C[C@H](CNC(=O)CCc1ccn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574916777 948790506 /nfs/dbraw/zinc/79/05/06/948790506.db2.gz JINDCDNRUWLEGC-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1ccn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574916777 948790517 /nfs/dbraw/zinc/79/05/17/948790517.db2.gz JINDCDNRUWLEGC-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574917487 948821095 /nfs/dbraw/zinc/82/10/95/948821095.db2.gz YRFZHTLSLBWBRJ-LLVKDONJSA-N 0 3 387.423 0.361 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574917487 948821114 /nfs/dbraw/zinc/82/11/14/948821114.db2.gz YRFZHTLSLBWBRJ-LLVKDONJSA-N 0 3 387.423 0.361 20 0 GCADHN C[C@@H](CNC(=O)CCc1cncn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574920227 948889578 /nfs/dbraw/zinc/88/95/78/948889578.db2.gz GFXHPVOXORGXEV-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574920837 948911156 /nfs/dbraw/zinc/91/11/56/948911156.db2.gz PKMSFOOPRGRHSD-LLVKDONJSA-N 0 3 387.423 0.361 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574920837 948911170 /nfs/dbraw/zinc/91/11/70/948911170.db2.gz PKMSFOOPRGRHSD-LLVKDONJSA-N 0 3 387.423 0.361 20 0 GCADHN CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001574431736 948926009 /nfs/dbraw/zinc/92/60/09/948926009.db2.gz ALUBSQUTUWGCKB-ZDUSSCGKSA-N 0 3 381.444 0.977 20 0 GCADHN CC(C)c1nccn1CC(=O)N1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574432251 948933465 /nfs/dbraw/zinc/93/34/65/948933465.db2.gz GSQAQNYHKGZFFN-UHFFFAOYSA-N 0 3 381.444 0.930 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574923123 948935369 /nfs/dbraw/zinc/93/53/69/948935369.db2.gz FCLCGGYFPPNNFS-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574923123 948935378 /nfs/dbraw/zinc/93/53/78/948935378.db2.gz FCLCGGYFPPNNFS-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573772054 948949413 /nfs/dbraw/zinc/94/94/13/948949413.db2.gz PNFVPTFBWUSPPQ-CYBMUJFWSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@@H](CNC(=O)CCn1cnnn1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574924145 948967462 /nfs/dbraw/zinc/96/74/62/948967462.db2.gz XKBJJJFWUDQXKY-NSHDSACASA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H](CNC(=O)CCn1cnnn1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574924145 948967474 /nfs/dbraw/zinc/96/74/74/948967474.db2.gz XKBJJJFWUDQXKY-NSHDSACASA-N 0 3 388.411 0.019 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575243117 948992213 /nfs/dbraw/zinc/99/22/13/948992213.db2.gz NJLNTHPZJLMRBK-GXTWGEPZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575243117 948992224 /nfs/dbraw/zinc/99/22/24/948992224.db2.gz NJLNTHPZJLMRBK-GXTWGEPZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575243252 948995423 /nfs/dbraw/zinc/99/54/23/948995423.db2.gz OWCUPOSVZYNURR-TZMCWYRMSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575243252 948995435 /nfs/dbraw/zinc/99/54/35/948995435.db2.gz OWCUPOSVZYNURR-TZMCWYRMSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575243252 948995447 /nfs/dbraw/zinc/99/54/47/948995447.db2.gz OWCUPOSVZYNURR-TZMCWYRMSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575243252 948995457 /nfs/dbraw/zinc/99/54/57/948995457.db2.gz OWCUPOSVZYNURR-TZMCWYRMSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575243796 949000218 /nfs/dbraw/zinc/00/02/18/949000218.db2.gz RJBDJONYXRNLRS-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575243796 949000238 /nfs/dbraw/zinc/00/02/38/949000238.db2.gz RJBDJONYXRNLRS-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575243796 949000255 /nfs/dbraw/zinc/00/02/55/949000255.db2.gz RJBDJONYXRNLRS-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575243796 949000273 /nfs/dbraw/zinc/00/02/73/949000273.db2.gz RJBDJONYXRNLRS-LBPRGKRZSA-N 0 3 379.440 0.842 20 0 GCADHN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(F)F ZINC001573775291 949039560 /nfs/dbraw/zinc/03/95/60/949039560.db2.gz VWNNXASHRLYDKM-LLVKDONJSA-N 0 3 386.378 0.864 20 0 GCADHN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(F)F ZINC001573775291 949039581 /nfs/dbraw/zinc/03/95/81/949039581.db2.gz VWNNXASHRLYDKM-LLVKDONJSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574930028 949104262 /nfs/dbraw/zinc/10/42/62/949104262.db2.gz IYKTZYULIJIFSJ-CYBMUJFWSA-N 0 3 388.476 0.313 20 0 GCADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574930028 949104273 /nfs/dbraw/zinc/10/42/73/949104273.db2.gz IYKTZYULIJIFSJ-CYBMUJFWSA-N 0 3 388.476 0.313 20 0 GCADHN CC(C)(C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[NH+]1CCCC1 ZINC001573781405 949105307 /nfs/dbraw/zinc/10/53/07/949105307.db2.gz FTCADOXZLGPKJD-UHFFFAOYSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574931553 949119712 /nfs/dbraw/zinc/11/97/12/949119712.db2.gz QQROFIKZFKJABL-LLVKDONJSA-N 0 3 392.439 0.428 20 0 GCADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574931553 949119723 /nfs/dbraw/zinc/11/97/23/949119723.db2.gz QQROFIKZFKJABL-LLVKDONJSA-N 0 3 392.439 0.428 20 0 GCADHN C[C@@H](CNC(=O)COCc1nccn1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574934751 949175349 /nfs/dbraw/zinc/17/53/49/949175349.db2.gz PVCAIAXCAAOYCO-ZDUSSCGKSA-N 0 3 384.444 0.411 20 0 GCADHN C[C@@H](CNC(=O)COCc1nccn1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574934751 949175360 /nfs/dbraw/zinc/17/53/60/949175360.db2.gz PVCAIAXCAAOYCO-ZDUSSCGKSA-N 0 3 384.444 0.411 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCC1 ZINC001573787400 949180200 /nfs/dbraw/zinc/18/02/00/949180200.db2.gz XAUNNAUPSYYJKB-BETUJISGSA-N 0 3 386.460 0.446 20 0 GCADHN C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704005 949362687 /nfs/dbraw/zinc/36/26/87/949362687.db2.gz JEIJJYIKGNKOSV-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574943805 949381523 /nfs/dbraw/zinc/38/15/23/949381523.db2.gz YUHZTLPQLJIWAH-LBPRGKRZSA-N 0 3 381.444 0.376 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704571 949392057 /nfs/dbraw/zinc/39/20/57/949392057.db2.gz DBEAWDXAASYJSJ-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704571 949392078 /nfs/dbraw/zinc/39/20/78/949392078.db2.gz DBEAWDXAASYJSJ-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574705139 949417961 /nfs/dbraw/zinc/41/79/61/949417961.db2.gz RNRLJNJAZAJVGJ-RISCZKNCSA-N 0 3 389.435 0.421 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574708079 949483585 /nfs/dbraw/zinc/48/35/85/949483585.db2.gz SPRDAURQXLBRAS-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574708079 949483594 /nfs/dbraw/zinc/48/35/94/949483594.db2.gz SPRDAURQXLBRAS-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)n1nccc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574470439 949502253 /nfs/dbraw/zinc/50/22/53/949502253.db2.gz QVQTZXFBWKZYJD-NSHDSACASA-N 0 3 390.473 0.586 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573807960 949503713 /nfs/dbraw/zinc/50/37/13/949503713.db2.gz AYOWPQZGYXGWEJ-CQSZACIVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711224 949532361 /nfs/dbraw/zinc/53/23/61/949532361.db2.gz FGVZMSZMSPFAKH-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711224 949532377 /nfs/dbraw/zinc/53/23/77/949532377.db2.gz FGVZMSZMSPFAKH-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574711419 949536672 /nfs/dbraw/zinc/53/66/72/949536672.db2.gz GZDPOJAHVYPUGC-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574711419 949536687 /nfs/dbraw/zinc/53/66/87/949536687.db2.gz GZDPOJAHVYPUGC-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574711504 949540493 /nfs/dbraw/zinc/54/04/93/949540493.db2.gz IBRAWFLWKNMQKZ-NOZJJQNGSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H]1CCCC[C@@H]1NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576164230 949551085 /nfs/dbraw/zinc/55/10/85/949551085.db2.gz FKCPFZHIFBIPCT-JSGCOSHPSA-N 0 3 388.476 0.599 20 0 GCADHN C[C@H]1CCCC[C@@H]1NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576164230 949551102 /nfs/dbraw/zinc/55/11/02/949551102.db2.gz FKCPFZHIFBIPCT-JSGCOSHPSA-N 0 3 388.476 0.599 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575269544 949558652 /nfs/dbraw/zinc/55/86/52/949558652.db2.gz VQFJOXWYCSKYHQ-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575269544 949558673 /nfs/dbraw/zinc/55/86/73/949558673.db2.gz VQFJOXWYCSKYHQ-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575269544 949558694 /nfs/dbraw/zinc/55/86/94/949558694.db2.gz VQFJOXWYCSKYHQ-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575269544 949558713 /nfs/dbraw/zinc/55/87/13/949558713.db2.gz VQFJOXWYCSKYHQ-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711876 949562405 /nfs/dbraw/zinc/56/24/05/949562405.db2.gz NJQDOQBJJSHGPH-WBMJQRKESA-N 0 3 391.451 0.273 20 0 GCADHN C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575269712 949562482 /nfs/dbraw/zinc/56/24/82/949562482.db2.gz WNHFGHZEVKQDRT-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575269712 949562502 /nfs/dbraw/zinc/56/25/02/949562502.db2.gz WNHFGHZEVKQDRT-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574711933 949563372 /nfs/dbraw/zinc/56/33/72/949563372.db2.gz OFKBBQPDFFYHRX-OCCSQVGLSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574711933 949563391 /nfs/dbraw/zinc/56/33/91/949563391.db2.gz OFKBBQPDFFYHRX-OCCSQVGLSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575269710 949564103 /nfs/dbraw/zinc/56/41/03/949564103.db2.gz WNHFGHZEVKQDRT-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575269710 949564118 /nfs/dbraw/zinc/56/41/18/949564118.db2.gz WNHFGHZEVKQDRT-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574711934 949564028 /nfs/dbraw/zinc/56/40/28/949564028.db2.gz OFKBBQPDFFYHRX-TZMCWYRMSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574711934 949564041 /nfs/dbraw/zinc/56/40/41/949564041.db2.gz OFKBBQPDFFYHRX-TZMCWYRMSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574711978 949564072 /nfs/dbraw/zinc/56/40/72/949564072.db2.gz OVSMMFHUJRTDOL-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574712000 949568196 /nfs/dbraw/zinc/56/81/96/949568196.db2.gz PKLUQOULEBTUGY-YPMHNXCESA-N 0 3 379.490 0.195 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCNC(N)=O ZINC001573810823 949579869 /nfs/dbraw/zinc/57/98/69/949579869.db2.gz DLEXHDVZJXKOIE-CQSZACIVSA-N 0 3 388.476 0.546 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCNC(N)=O ZINC001573810823 949579881 /nfs/dbraw/zinc/57/98/81/949579881.db2.gz DLEXHDVZJXKOIE-CQSZACIVSA-N 0 3 388.476 0.546 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811339 949601023 /nfs/dbraw/zinc/60/10/23/949601023.db2.gz KLPKDYMLEIZEQI-LSDHHAIUSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811339 949601036 /nfs/dbraw/zinc/60/10/36/949601036.db2.gz KLPKDYMLEIZEQI-LSDHHAIUSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811345 949601248 /nfs/dbraw/zinc/60/12/48/949601248.db2.gz KMGNQINLPPVYDA-LSDHHAIUSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811345 949601269 /nfs/dbraw/zinc/60/12/69/949601269.db2.gz KMGNQINLPPVYDA-LSDHHAIUSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1COC(=O)N1 ZINC001573811514 949601745 /nfs/dbraw/zinc/60/17/45/949601745.db2.gz LBBMHCRBFVVXQT-ZIAGYGMSSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1COC(=O)N1 ZINC001573811514 949601758 /nfs/dbraw/zinc/60/17/58/949601758.db2.gz LBBMHCRBFVVXQT-ZIAGYGMSSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1COCCO1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574713574 949602745 /nfs/dbraw/zinc/60/27/45/949602745.db2.gz YBXJGHCQRFLURA-XHDPSFHLSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1COCCO1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574713570 949602819 /nfs/dbraw/zinc/60/28/19/949602819.db2.gz YBXJGHCQRFLURA-IAQYHMDHSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575270954 949611643 /nfs/dbraw/zinc/61/16/43/949611643.db2.gz HQRQDQLGAONCRV-SWLSCSKDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270954 949611653 /nfs/dbraw/zinc/61/16/53/949611653.db2.gz HQRQDQLGAONCRV-SWLSCSKDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575271123 949613387 /nfs/dbraw/zinc/61/33/87/949613387.db2.gz IMYRPLWLRGVJBP-LBPRGKRZSA-N 0 3 375.452 0.894 20 0 GCADHN C[C@H](CC(=O)N(C)C[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F)NC(N)=O ZINC001574713728 949614374 /nfs/dbraw/zinc/61/43/74/949614374.db2.gz BQVYPQSGKOVUOT-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574713862 949615159 /nfs/dbraw/zinc/61/51/59/949615159.db2.gz YQIJMTZLWPFLRU-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574713862 949615166 /nfs/dbraw/zinc/61/51/66/949615166.db2.gz YQIJMTZLWPFLRU-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574957692 949628368 /nfs/dbraw/zinc/62/83/68/949628368.db2.gz GEEDXLQYRWRQLW-OSMBCOQSSA-N 0 3 386.456 0.513 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574957692 949628383 /nfs/dbraw/zinc/62/83/83/949628383.db2.gz GEEDXLQYRWRQLW-OSMBCOQSSA-N 0 3 386.456 0.513 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1COC(=O)N1 ZINC001573813212 949629078 /nfs/dbraw/zinc/62/90/78/949629078.db2.gz WZQDDGJLUQKEFP-ZIAGYGMSSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1COC(=O)N1 ZINC001573813212 949629086 /nfs/dbraw/zinc/62/90/86/949629086.db2.gz WZQDDGJLUQKEFP-ZIAGYGMSSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001575271816 949629173 /nfs/dbraw/zinc/62/91/73/949629173.db2.gz MPAFQQPWOZQGTB-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001575271816 949629188 /nfs/dbraw/zinc/62/91/88/949629188.db2.gz MPAFQQPWOZQGTB-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H]1CCCCN1C(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576168439 949636710 /nfs/dbraw/zinc/63/67/10/949636710.db2.gz ULYUOAJISXNYLZ-UBHSHLNASA-N 0 3 386.460 0.446 20 0 GCADHN C[C@H]1CCCCN1C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576168437 949637204 /nfs/dbraw/zinc/63/72/04/949637204.db2.gz ULYUOAJISXNYLZ-FPMFFAJLSA-N 0 3 386.460 0.446 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576168541 949645915 /nfs/dbraw/zinc/64/59/15/949645915.db2.gz BUMJYRGYEPPTFY-IUODEOHRSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H](CN(C)C(=O)CCCC(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574715396 949649822 /nfs/dbraw/zinc/64/98/22/949649822.db2.gz BXNAAYMSGZBRFX-LLVKDONJSA-N 0 3 377.424 0.598 20 0 GCADHN C[C@H](CN(C)C(=O)CCCC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574715396 949649834 /nfs/dbraw/zinc/64/98/34/949649834.db2.gz BXNAAYMSGZBRFX-LLVKDONJSA-N 0 3 377.424 0.598 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575273301 949660503 /nfs/dbraw/zinc/66/05/03/949660503.db2.gz VROBLDAPQURQJT-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575273301 949660514 /nfs/dbraw/zinc/66/05/14/949660514.db2.gz VROBLDAPQURQJT-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN C[C@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCOC1 ZINC001575548406 949672294 /nfs/dbraw/zinc/67/22/94/949672294.db2.gz ZTMXZWAXLYUELD-APWZRJJASA-N 0 3 386.456 0.610 20 0 GCADHN C[C@@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCOC1 ZINC001575548408 949672444 /nfs/dbraw/zinc/67/24/44/949672444.db2.gz ZTMXZWAXLYUELD-QFBILLFUSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574716008 949674390 /nfs/dbraw/zinc/67/43/90/949674390.db2.gz GZTNLAPMLAUCPI-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574716008 949674403 /nfs/dbraw/zinc/67/44/03/949674403.db2.gz GZTNLAPMLAUCPI-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574716071 949677329 /nfs/dbraw/zinc/67/73/29/949677329.db2.gz LVLHMZKGVBKRIB-HIFRSBDPSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574716071 949677345 /nfs/dbraw/zinc/67/73/45/949677345.db2.gz LVLHMZKGVBKRIB-HIFRSBDPSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716116 949679146 /nfs/dbraw/zinc/67/91/46/949679146.db2.gz MPGRGLQKPOEITE-AAEUAGOBSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716116 949679161 /nfs/dbraw/zinc/67/91/61/949679161.db2.gz MPGRGLQKPOEITE-AAEUAGOBSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716292 949682353 /nfs/dbraw/zinc/68/23/53/949682353.db2.gz IQKWSLPSZOUZDV-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CC(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1)NC(N)=O ZINC001574477869 949684230 /nfs/dbraw/zinc/68/42/30/949684230.db2.gz VROROYJTRFEWHY-CYBMUJFWSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@H](CC(=O)N(C)CCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1)NC(N)=O ZINC001574477869 949684253 /nfs/dbraw/zinc/68/42/53/949684253.db2.gz VROROYJTRFEWHY-CYBMUJFWSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@H](CC(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1)NC(N)=O ZINC001574477869 949684272 /nfs/dbraw/zinc/68/42/72/949684272.db2.gz VROROYJTRFEWHY-CYBMUJFWSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@H](CC(=O)N(C)CCC[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1)NC(N)=O ZINC001574477869 949684286 /nfs/dbraw/zinc/68/42/86/949684286.db2.gz VROROYJTRFEWHY-CYBMUJFWSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716293 949685302 /nfs/dbraw/zinc/68/53/02/949685302.db2.gz IQKWSLPSZOUZDV-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574958979 949698481 /nfs/dbraw/zinc/69/84/81/949698481.db2.gz PAPAHSWDIPUSRC-OAUYIBNBSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576170490 949716838 /nfs/dbraw/zinc/71/68/38/949716838.db2.gz LHYOABPLPJYKPF-DOMZBBRYSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576170492 949719779 /nfs/dbraw/zinc/71/97/79/949719779.db2.gz LHYOABPLPJYKPF-SWLSCSKDSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574960365 949724876 /nfs/dbraw/zinc/72/48/76/949724876.db2.gz WPTJLQHLBHHYDK-APHBMKBZSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574717347 949732108 /nfs/dbraw/zinc/73/21/08/949732108.db2.gz PFKZHTMXRKTKQT-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574717347 949732119 /nfs/dbraw/zinc/73/21/19/949732119.db2.gz PFKZHTMXRKTKQT-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574962439 949733566 /nfs/dbraw/zinc/73/35/66/949733566.db2.gz AOIIJSFYZHRDAC-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574962439 949733580 /nfs/dbraw/zinc/73/35/80/949733580.db2.gz AOIIJSFYZHRDAC-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](CN(C)C(=O)CCCC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574718202 949768972 /nfs/dbraw/zinc/76/89/72/949768972.db2.gz TUFUUZYJYVSZHS-NSHDSACASA-N 0 3 377.424 0.598 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574718502 949784714 /nfs/dbraw/zinc/78/47/14/949784714.db2.gz YHFSAYMOVCYCLV-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575882735 949789166 /nfs/dbraw/zinc/78/91/66/949789166.db2.gz NORRYEZPTOBRPC-YPMHNXCESA-N 0 3 384.444 0.010 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575280877 949793196 /nfs/dbraw/zinc/79/31/96/949793196.db2.gz BATUBCRGCYGNDK-CHWSQXEVSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575280877 949793215 /nfs/dbraw/zinc/79/32/15/949793215.db2.gz BATUBCRGCYGNDK-CHWSQXEVSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001575280879 949793722 /nfs/dbraw/zinc/79/37/22/949793722.db2.gz BATUBCRGCYGNDK-QWHCGFSZSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001575280879 949793731 /nfs/dbraw/zinc/79/37/31/949793731.db2.gz BATUBCRGCYGNDK-QWHCGFSZSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575883053 949796717 /nfs/dbraw/zinc/79/67/17/949796717.db2.gz CFHVGRKQVVIUDU-BXUZGUMPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575883053 949796738 /nfs/dbraw/zinc/79/67/38/949796738.db2.gz CFHVGRKQVVIUDU-BXUZGUMPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CC(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)NC(N)=O ZINC001574481719 949799268 /nfs/dbraw/zinc/79/92/68/949799268.db2.gz UJZBIECEONTNFA-LBPRGKRZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)NC(N)=O ZINC001574481719 949799280 /nfs/dbraw/zinc/79/92/80/949799280.db2.gz UJZBIECEONTNFA-LBPRGKRZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576172613 949812423 /nfs/dbraw/zinc/81/24/23/949812423.db2.gz YAAPXDNPDVTFHJ-IUODEOHRSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576172613 949812438 /nfs/dbraw/zinc/81/24/38/949812438.db2.gz YAAPXDNPDVTFHJ-IUODEOHRSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482060 949818545 /nfs/dbraw/zinc/81/85/45/949818545.db2.gz ZXPXKAPAJCILGC-SWLSCSKDSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482060 949818567 /nfs/dbraw/zinc/81/85/67/949818567.db2.gz ZXPXKAPAJCILGC-SWLSCSKDSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482059 949819156 /nfs/dbraw/zinc/81/91/56/949819156.db2.gz ZXPXKAPAJCILGC-IUODEOHRSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482059 949819180 /nfs/dbraw/zinc/81/91/80/949819180.db2.gz ZXPXKAPAJCILGC-IUODEOHRSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574965920 949820259 /nfs/dbraw/zinc/82/02/59/949820259.db2.gz OUQAFNFZHXVRLP-BTDLBPIBSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H](CN(C)C(=O)CCNC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574721753 949823133 /nfs/dbraw/zinc/82/31/33/949823133.db2.gz NKJXFFSDXITELX-SNVBAGLBSA-N 0 3 378.412 0.001 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001575282222 949826296 /nfs/dbraw/zinc/82/62/96/949826296.db2.gz JGIXJFFIYKNDMA-LLVKDONJSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001575282222 949826318 /nfs/dbraw/zinc/82/63/18/949826318.db2.gz JGIXJFFIYKNDMA-LLVKDONJSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC001574967098 949865105 /nfs/dbraw/zinc/86/51/05/949865105.db2.gz FEOROHHRKRXYML-NEPJUHHUSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001574967382 949871603 /nfs/dbraw/zinc/87/16/03/949871603.db2.gz HOQBDEYWOIZNCB-RISCZKNCSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[NH2+][C@H](C)C(=O)N1CCC(C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576178332 949885556 /nfs/dbraw/zinc/88/55/56/949885556.db2.gz HSSRBWMBFSIXDR-CHWSQXEVSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(N)=O ZINC001574484808 949903775 /nfs/dbraw/zinc/90/37/75/949903775.db2.gz OSKMGKJKCSBJCC-WFASDCNBSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(N)=O ZINC001574484808 949903793 /nfs/dbraw/zinc/90/37/93/949903793.db2.gz OSKMGKJKCSBJCC-WFASDCNBSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574725686 949909154 /nfs/dbraw/zinc/90/91/54/949909154.db2.gz AQZGHKOTHPFACB-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284700 949915628 /nfs/dbraw/zinc/91/56/28/949915628.db2.gz VRESKKWJKHMVKC-FNBIGBAISA-N 0 3 386.460 0.302 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCCC[NH+](C)C ZINC001575889541 949929889 /nfs/dbraw/zinc/92/98/89/949929889.db2.gz SGSWSHLJBYNMLX-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCCC[NH+](C)C ZINC001575889541 949929895 /nfs/dbraw/zinc/92/98/95/949929895.db2.gz SGSWSHLJBYNMLX-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574487648 949933630 /nfs/dbraw/zinc/93/36/30/949933630.db2.gz APFCHPYUFAAHFP-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(N)=O ZINC001574487648 949933649 /nfs/dbraw/zinc/93/36/49/949933649.db2.gz APFCHPYUFAAHFP-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001574972514 949941262 /nfs/dbraw/zinc/94/12/62/949941262.db2.gz CJFTXTIKINNWJP-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574726601 949942782 /nfs/dbraw/zinc/94/27/82/949942782.db2.gz KWSQRFZLWJWPED-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574726601 949942801 /nfs/dbraw/zinc/94/28/01/949942801.db2.gz KWSQRFZLWJWPED-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576180175 949944689 /nfs/dbraw/zinc/94/46/89/949944689.db2.gz CQGBEZHBRCPYOV-OLZOCXBDSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574726952 949947790 /nfs/dbraw/zinc/94/77/90/949947790.db2.gz MXDKCQRJSWMCSE-ZDUSSCGKSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574726952 949947811 /nfs/dbraw/zinc/94/78/11/949947811.db2.gz MXDKCQRJSWMCSE-ZDUSSCGKSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574727420 949966421 /nfs/dbraw/zinc/96/64/21/949966421.db2.gz SFPLSKMKWYAMDI-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576180870 949977827 /nfs/dbraw/zinc/97/78/27/949977827.db2.gz JWYQMALADAEZDG-SWLSCSKDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576180870 949977843 /nfs/dbraw/zinc/97/78/43/949977843.db2.gz JWYQMALADAEZDG-SWLSCSKDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574727756 949981256 /nfs/dbraw/zinc/98/12/56/949981256.db2.gz YYCWGAQTIIUZDR-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574727756 949981277 /nfs/dbraw/zinc/98/12/77/949981277.db2.gz YYCWGAQTIIUZDR-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574727784 949985518 /nfs/dbraw/zinc/98/55/18/949985518.db2.gz ZNIGNDNCQLIHRD-OCCSQVGLSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574727784 949985536 /nfs/dbraw/zinc/98/55/36/949985536.db2.gz ZNIGNDNCQLIHRD-OCCSQVGLSA-N 0 3 392.435 0.748 20 0 GCADHN CC(C)C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574148458 949986599 /nfs/dbraw/zinc/98/65/99/949986599.db2.gz NPTBXCKNVKOCPO-GFCCVEGCSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574148458 949986618 /nfs/dbraw/zinc/98/66/18/949986618.db2.gz NPTBXCKNVKOCPO-GFCCVEGCSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150410 950033415 /nfs/dbraw/zinc/03/34/15/950033415.db2.gz ZOAQLXSFRUKLCI-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150410 950033435 /nfs/dbraw/zinc/03/34/35/950033435.db2.gz ZOAQLXSFRUKLCI-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150410 950033456 /nfs/dbraw/zinc/03/34/56/950033456.db2.gz ZOAQLXSFRUKLCI-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150410 950033476 /nfs/dbraw/zinc/03/34/76/950033476.db2.gz ZOAQLXSFRUKLCI-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cnnn1C ZINC001574150590 950033655 /nfs/dbraw/zinc/03/36/55/950033655.db2.gz BYTIVIDWKUIGTB-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cnnn1C ZINC001574150590 950033677 /nfs/dbraw/zinc/03/36/77/950033677.db2.gz BYTIVIDWKUIGTB-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1ccn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574730995 950042162 /nfs/dbraw/zinc/04/21/62/950042162.db2.gz VBAJHQZEPREOEW-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1ccn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574730995 950042186 /nfs/dbraw/zinc/04/21/86/950042186.db2.gz VBAJHQZEPREOEW-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN CC(C)C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150925 950046682 /nfs/dbraw/zinc/04/66/82/950046682.db2.gz HBYDTDUXDYALBK-YPMHNXCESA-N 0 3 376.465 0.406 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H](C)NC(N)=O ZINC001574151003 950048551 /nfs/dbraw/zinc/04/85/51/950048551.db2.gz JBAVAJINPKZYMI-WFASDCNBSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H](C)NC(N)=O ZINC001574151003 950048575 /nfs/dbraw/zinc/04/85/75/950048575.db2.gz JBAVAJINPKZYMI-WFASDCNBSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1COC(=O)N1 ZINC001574151306 950068144 /nfs/dbraw/zinc/06/81/44/950068144.db2.gz OZTWDNZNWLKROJ-HUUCEWRRSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1COC(=O)N1 ZINC001574151306 950068163 /nfs/dbraw/zinc/06/81/63/950068163.db2.gz OZTWDNZNWLKROJ-HUUCEWRRSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575892755 950078789 /nfs/dbraw/zinc/07/87/89/950078789.db2.gz ZFCJYOLSKJQNSS-VXGBXAGGSA-N 0 3 384.444 0.010 20 0 GCADHN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575577953 950090186 /nfs/dbraw/zinc/09/01/86/950090186.db2.gz ZAUVYKYQXGDGAZ-CYBMUJFWSA-N 0 3 392.435 0.389 20 0 GCADHN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575577953 950090203 /nfs/dbraw/zinc/09/02/03/950090203.db2.gz ZAUVYKYQXGDGAZ-CYBMUJFWSA-N 0 3 392.435 0.389 20 0 GCADHN CC(C)C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151617 950090170 /nfs/dbraw/zinc/09/01/70/950090170.db2.gz WGERMVKNZCXRKN-SMDDNHRTSA-N 0 3 388.476 0.596 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574976738 950096844 /nfs/dbraw/zinc/09/68/44/950096844.db2.gz ZPYRQSOKUVKAKU-GXTWGEPZSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574976738 950096862 /nfs/dbraw/zinc/09/68/62/950096862.db2.gz ZPYRQSOKUVKAKU-GXTWGEPZSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574976738 950096882 /nfs/dbraw/zinc/09/68/82/950096882.db2.gz ZPYRQSOKUVKAKU-GXTWGEPZSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574976738 950096904 /nfs/dbraw/zinc/09/69/04/950096904.db2.gz ZPYRQSOKUVKAKU-GXTWGEPZSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574152360 950098002 /nfs/dbraw/zinc/09/80/02/950098002.db2.gz AOSTUSDUSMVQLJ-JKSUJKDBSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574152360 950098023 /nfs/dbraw/zinc/09/80/23/950098023.db2.gz AOSTUSDUSMVQLJ-JKSUJKDBSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1nnn(C)n1 ZINC001574152332 950101086 /nfs/dbraw/zinc/10/10/86/950101086.db2.gz AAWOXIJNKVQYFK-CQSZACIVSA-N 0 3 384.448 0.325 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1nnn(C)n1 ZINC001574152332 950101096 /nfs/dbraw/zinc/10/10/96/950101096.db2.gz AAWOXIJNKVQYFK-CQSZACIVSA-N 0 3 384.448 0.325 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001574977122 950113550 /nfs/dbraw/zinc/11/35/50/950113550.db2.gz HOQDCICSRMQQSR-NHYWBVRUSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001574977122 950113556 /nfs/dbraw/zinc/11/35/56/950113556.db2.gz HOQDCICSRMQQSR-NHYWBVRUSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574733500 950114699 /nfs/dbraw/zinc/11/46/99/950114699.db2.gz CVYVSJHPKUIEQF-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)Cn1ncnn1 ZINC001574153137 950130585 /nfs/dbraw/zinc/13/05/85/950130585.db2.gz NNYJMDAQWHRLSV-OAHLLOKOSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)Cn1ncnn1 ZINC001574153137 950130597 /nfs/dbraw/zinc/13/05/97/950130597.db2.gz NNYJMDAQWHRLSV-OAHLLOKOSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001574979166 950146983 /nfs/dbraw/zinc/14/69/83/950146983.db2.gz WYKRWLPHPZRLCU-CZUORRHYSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001574979166 950146994 /nfs/dbraw/zinc/14/69/94/950146994.db2.gz WYKRWLPHPZRLCU-CZUORRHYSA-N 0 3 383.456 0.896 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1COC(=O)N1 ZINC001574153672 950148409 /nfs/dbraw/zinc/14/84/09/950148409.db2.gz VRGLAGSVUQZSOZ-UKRRQHHQSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1COC(=O)N1 ZINC001574153672 950148422 /nfs/dbraw/zinc/14/84/22/950148422.db2.gz VRGLAGSVUQZSOZ-UKRRQHHQSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574734869 950148673 /nfs/dbraw/zinc/14/86/73/950148673.db2.gz TUFMDACRYXALLS-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574739106 950182694 /nfs/dbraw/zinc/18/26/94/950182694.db2.gz LPRSKBOWJBADSO-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574739106 950182708 /nfs/dbraw/zinc/18/27/08/950182708.db2.gz LPRSKBOWJBADSO-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191051 950184287 /nfs/dbraw/zinc/18/42/87/950184287.db2.gz DDNMNBQLPXCAIU-ZDUSSCGKSA-N 0 3 387.492 0.895 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191051 950184302 /nfs/dbraw/zinc/18/43/02/950184302.db2.gz DDNMNBQLPXCAIU-ZDUSSCGKSA-N 0 3 387.492 0.895 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)n1 ZINC001575900243 950190105 /nfs/dbraw/zinc/19/01/05/950190105.db2.gz CPHIGFWGAXYOQZ-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)n1 ZINC001575900243 950190110 /nfs/dbraw/zinc/19/01/10/950190110.db2.gz CPHIGFWGAXYOQZ-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)Cn1cccn1 ZINC001575900471 950199847 /nfs/dbraw/zinc/19/98/47/950199847.db2.gz FVXFQPYZJZEUTK-BLLLJJGKSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)Cn1cccn1 ZINC001575900471 950199854 /nfs/dbraw/zinc/19/98/54/950199854.db2.gz FVXFQPYZJZEUTK-BLLLJJGKSA-N 0 3 384.419 0.982 20 0 GCADHN CC(C)(C)CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573844851 950206792 /nfs/dbraw/zinc/20/67/92/950206792.db2.gz LSXRYTZXMZDGDC-HAQNSBGRSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574983259 950209085 /nfs/dbraw/zinc/20/90/85/950209085.db2.gz LPVCKLDGXKKXGR-SECBINFHSA-N 0 3 386.391 0.341 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574983259 950209096 /nfs/dbraw/zinc/20/90/96/950209096.db2.gz LPVCKLDGXKKXGR-SECBINFHSA-N 0 3 386.391 0.341 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001576191912 950213365 /nfs/dbraw/zinc/21/33/65/950213365.db2.gz IZCILOMLOMDXGO-LBPRGKRZSA-N 0 3 375.502 0.913 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001576191912 950213388 /nfs/dbraw/zinc/21/33/88/950213388.db2.gz IZCILOMLOMDXGO-LBPRGKRZSA-N 0 3 375.502 0.913 20 0 GCADHN C[C@@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)CCCC(N)=O ZINC001575901063 950215908 /nfs/dbraw/zinc/21/59/08/950215908.db2.gz KLPMPDKKAYYYAL-IAQYHMDHSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1ccnc1 ZINC001574496515 950217722 /nfs/dbraw/zinc/21/77/22/950217722.db2.gz XDVDBDLATIIRFN-NWDGAFQWSA-N 0 3 390.473 0.343 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)nn1 ZINC001575901128 950219502 /nfs/dbraw/zinc/21/95/02/950219502.db2.gz LLHWEYAYQIDDLX-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)nn1 ZINC001575901128 950219525 /nfs/dbraw/zinc/21/95/25/950219525.db2.gz LLHWEYAYQIDDLX-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@H]([NH2+]CC(=O)N(C)CC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901473 950234606 /nfs/dbraw/zinc/23/46/06/950234606.db2.gz NYSOUVQBLFHNTB-SMDDNHRTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cccn1 ZINC001575901878 950243277 /nfs/dbraw/zinc/24/32/77/950243277.db2.gz REKDEILMXQLZMB-BLLLJJGKSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cnnn1C ZINC001575901901 950247093 /nfs/dbraw/zinc/24/70/93/950247093.db2.gz RKMDJZANMBUCRW-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cnnn1C ZINC001575901901 950247112 /nfs/dbraw/zinc/24/71/12/950247112.db2.gz RKMDJZANMBUCRW-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]CC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573846414 950249392 /nfs/dbraw/zinc/24/93/92/950249392.db2.gz QXAGQEVDTQDEQH-UHFFFAOYSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@@H]1[C@H]([NH2+]CC(=O)NCC(C)(C)C)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575902306 950254558 /nfs/dbraw/zinc/25/45/58/950254558.db2.gz UOFLPIPGWULGJJ-DGCLKSJQSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC001574498078 950261372 /nfs/dbraw/zinc/26/13/72/950261372.db2.gz JPSJTOSXLNBTEF-RHSMWYFYSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC001574498078 950261390 /nfs/dbraw/zinc/26/13/90/950261390.db2.gz JPSJTOSXLNBTEF-RHSMWYFYSA-N 0 3 383.456 0.886 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573849753 950261231 /nfs/dbraw/zinc/26/12/31/950261231.db2.gz AMKZCBNJVGPCGN-LBPRGKRZSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573849753 950261247 /nfs/dbraw/zinc/26/12/47/950261247.db2.gz AMKZCBNJVGPCGN-LBPRGKRZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H]1[C@H]([NH2+]CC(=O)N(C)CC2CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575902633 950262273 /nfs/dbraw/zinc/26/22/73/950262273.db2.gz WCFHRMBORIKWRO-BXUZGUMPSA-N 0 3 386.460 0.256 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573850900 950283107 /nfs/dbraw/zinc/28/31/07/950283107.db2.gz OAIADDQUYPCDBV-WCQYABFASA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573850900 950283132 /nfs/dbraw/zinc/28/31/32/950283132.db2.gz OAIADDQUYPCDBV-WCQYABFASA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574742358 950283483 /nfs/dbraw/zinc/28/34/83/950283483.db2.gz OLHMNXYNFUJMOF-BJJXKVORSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574742358 950283498 /nfs/dbraw/zinc/28/34/98/950283498.db2.gz OLHMNXYNFUJMOF-BJJXKVORSA-N 0 3 385.472 0.705 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573851137 950286857 /nfs/dbraw/zinc/28/68/57/950286857.db2.gz SKQWBOGQNLHSQO-NEPJUHHUSA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+]CC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573851167 950288924 /nfs/dbraw/zinc/28/89/24/950288924.db2.gz SYTCECQTKDIVLU-SNAWJCMRSA-N 0 3 389.464 0.168 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+]CC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573851167 950288938 /nfs/dbraw/zinc/28/89/38/950288938.db2.gz SYTCECQTKDIVLU-SNAWJCMRSA-N 0 3 389.464 0.168 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cccn1 ZINC001575905704 950300443 /nfs/dbraw/zinc/30/04/43/950300443.db2.gz DKKROFGCISFSPS-WBMJQRKESA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cccn1 ZINC001575905704 950300462 /nfs/dbraw/zinc/30/04/62/950300462.db2.gz DKKROFGCISFSPS-WBMJQRKESA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H](CC(=O)NCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCC1)NC(N)=O ZINC001574499885 950309979 /nfs/dbraw/zinc/30/99/79/950309979.db2.gz XLNXRBLSHJSZDA-GFCCVEGCSA-N 0 3 386.460 0.442 20 0 GCADHN C[C@H](CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCC1)NC(N)=O ZINC001574499885 950309991 /nfs/dbraw/zinc/30/99/91/950309991.db2.gz XLNXRBLSHJSZDA-GFCCVEGCSA-N 0 3 386.460 0.442 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cncn1 ZINC001575906366 950310865 /nfs/dbraw/zinc/31/08/65/950310865.db2.gz HYVOVHNYEHMUFA-XHDPSFHLSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCCC(N)=O ZINC001575906520 950318431 /nfs/dbraw/zinc/31/84/31/950318431.db2.gz ISDBRDJUDFKTCP-IAQYHMDHSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCCC(N)=O ZINC001575906520 950318451 /nfs/dbraw/zinc/31/84/51/950318451.db2.gz ISDBRDJUDFKTCP-IAQYHMDHSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)Cc1cncn1C ZINC001575906965 950321850 /nfs/dbraw/zinc/32/18/50/950321850.db2.gz LFDJZFWHNNPYCJ-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CN1CCOCC1 ZINC001575906904 950322476 /nfs/dbraw/zinc/32/24/76/950322476.db2.gz KKKSSVFIFZDENJ-WMLDXEAASA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CN1CCOCC1 ZINC001575906904 950322499 /nfs/dbraw/zinc/32/24/99/950322499.db2.gz KKKSSVFIFZDENJ-WMLDXEAASA-N 0 3 385.472 0.278 20 0 GCADHN CC(C)(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC001573854894 950353934 /nfs/dbraw/zinc/35/39/34/950353934.db2.gz GSGAZKZOUQOQHR-FRRDWIJNSA-N 0 3 386.460 0.445 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575908249 950353899 /nfs/dbraw/zinc/35/38/99/950353899.db2.gz SZWMNUDEJDWVIH-FZMZJTMJSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575908249 950353912 /nfs/dbraw/zinc/35/39/12/950353912.db2.gz SZWMNUDEJDWVIH-FZMZJTMJSA-N 0 3 380.412 0.343 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574988982 950354609 /nfs/dbraw/zinc/35/46/09/950354609.db2.gz WXSMKWNJOVVGGR-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574988982 950354624 /nfs/dbraw/zinc/35/46/24/950354624.db2.gz WXSMKWNJOVVGGR-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001574744597 950357097 /nfs/dbraw/zinc/35/70/97/950357097.db2.gz ZUUMNOHSOXUPEX-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001574744597 950357115 /nfs/dbraw/zinc/35/71/15/950357115.db2.gz ZUUMNOHSOXUPEX-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN CC(C)(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001573855144 950357016 /nfs/dbraw/zinc/35/70/16/950357016.db2.gz JSSUBMIPEYBVQY-UHIISALHSA-N 0 3 386.460 0.445 20 0 GCADHN CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576196415 950360635 /nfs/dbraw/zinc/36/06/35/950360635.db2.gz CTEHYJPVJMDYCA-CQSZACIVSA-N 0 3 387.492 0.672 20 0 GCADHN CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576196415 950360653 /nfs/dbraw/zinc/36/06/53/950360653.db2.gz CTEHYJPVJMDYCA-CQSZACIVSA-N 0 3 387.492 0.672 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cncn1C ZINC001575908437 950365314 /nfs/dbraw/zinc/36/53/14/950365314.db2.gz BZRRKPOYZLOGTQ-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cncn1C ZINC001575908437 950365335 /nfs/dbraw/zinc/36/53/35/950365335.db2.gz BZRRKPOYZLOGTQ-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574502199 950365730 /nfs/dbraw/zinc/36/57/30/950365730.db2.gz KIEHOXJQUDQBIG-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574502199 950365750 /nfs/dbraw/zinc/36/57/50/950365750.db2.gz KIEHOXJQUDQBIG-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574502199 950365772 /nfs/dbraw/zinc/36/57/72/950365772.db2.gz KIEHOXJQUDQBIG-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574502199 950365790 /nfs/dbraw/zinc/36/57/90/950365790.db2.gz KIEHOXJQUDQBIG-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575908892 950381700 /nfs/dbraw/zinc/38/17/00/950381700.db2.gz WXHYUDBTRKGQIA-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197941 950396163 /nfs/dbraw/zinc/39/61/63/950396163.db2.gz PUUVRQWVSUQYQQ-MCIONIFRSA-N 0 3 383.460 0.178 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197941 950396180 /nfs/dbraw/zinc/39/61/80/950396180.db2.gz PUUVRQWVSUQYQQ-MCIONIFRSA-N 0 3 383.460 0.178 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909639 950404477 /nfs/dbraw/zinc/40/44/77/950404477.db2.gz ZXYJCQJGBNGUFU-DOMZBBRYSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001576198084 950404529 /nfs/dbraw/zinc/40/45/29/950404529.db2.gz RWYAMQDQAIQEEV-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001576198084 950404548 /nfs/dbraw/zinc/40/45/48/950404548.db2.gz RWYAMQDQAIQEEV-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001574747221 950405545 /nfs/dbraw/zinc/40/55/45/950405545.db2.gz SKZGKCIUCXKRPF-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001574747221 950405560 /nfs/dbraw/zinc/40/55/60/950405560.db2.gz SKZGKCIUCXKRPF-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576198381 950409172 /nfs/dbraw/zinc/40/91/72/950409172.db2.gz SGBCTMNQBNCTIM-TZMCWYRMSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576198381 950409188 /nfs/dbraw/zinc/40/91/88/950409188.db2.gz SGBCTMNQBNCTIM-TZMCWYRMSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576198804 950412978 /nfs/dbraw/zinc/41/29/78/950412978.db2.gz VPIKDAHNFGUZDS-CYBMUJFWSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576198804 950412992 /nfs/dbraw/zinc/41/29/92/950412992.db2.gz VPIKDAHNFGUZDS-CYBMUJFWSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1N ZINC001575910430 950416268 /nfs/dbraw/zinc/41/62/68/950416268.db2.gz LALAURDVFPWJEH-ABAIWWIYSA-N 0 3 381.444 0.575 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1N ZINC001575910430 950416275 /nfs/dbraw/zinc/41/62/75/950416275.db2.gz LALAURDVFPWJEH-ABAIWWIYSA-N 0 3 381.444 0.575 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1N ZINC001575910435 950418034 /nfs/dbraw/zinc/41/80/34/950418034.db2.gz LALAURDVFPWJEH-IAQYHMDHSA-N 0 3 381.444 0.575 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1N ZINC001575910435 950418048 /nfs/dbraw/zinc/41/80/48/950418048.db2.gz LALAURDVFPWJEH-IAQYHMDHSA-N 0 3 381.444 0.575 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575910451 950421000 /nfs/dbraw/zinc/42/10/00/950421000.db2.gz LBPHHMYANGBZMG-DGCLKSJQSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575910451 950421013 /nfs/dbraw/zinc/42/10/13/950421013.db2.gz LBPHHMYANGBZMG-DGCLKSJQSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576199300 950425510 /nfs/dbraw/zinc/42/55/10/950425510.db2.gz YGWIQLAPFHPXRF-ZIAGYGMSSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199502 950427167 /nfs/dbraw/zinc/42/71/67/950427167.db2.gz ZVIZQGSGIDHUQB-ACJLOTCBSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199502 950427183 /nfs/dbraw/zinc/42/71/83/950427183.db2.gz ZVIZQGSGIDHUQB-ACJLOTCBSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576203276 950445556 /nfs/dbraw/zinc/44/55/56/950445556.db2.gz GEWBJTXWQIRJCS-SGTLLEGYSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576203276 950445566 /nfs/dbraw/zinc/44/55/66/950445566.db2.gz GEWBJTXWQIRJCS-SGTLLEGYSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574750797 950446132 /nfs/dbraw/zinc/44/61/32/950446132.db2.gz ICPZVGLGPKYVDK-WCQYABFASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574750797 950446149 /nfs/dbraw/zinc/44/61/49/950446149.db2.gz ICPZVGLGPKYVDK-WCQYABFASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575911633 950447465 /nfs/dbraw/zinc/44/74/65/950447465.db2.gz OUJRCPDCUDNJCW-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575911633 950447472 /nfs/dbraw/zinc/44/74/72/950447472.db2.gz OUJRCPDCUDNJCW-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]3C2)C1 ZINC001576204372 950462517 /nfs/dbraw/zinc/46/25/17/950462517.db2.gz OYXULBUTYPZOCI-SOUVJXGZSA-N 0 3 382.472 0.498 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]3C2)C1 ZINC001576204372 950462532 /nfs/dbraw/zinc/46/25/32/950462532.db2.gz OYXULBUTYPZOCI-SOUVJXGZSA-N 0 3 382.472 0.498 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)C1 ZINC001576204487 950464693 /nfs/dbraw/zinc/46/46/93/950464693.db2.gz PCRGANAHIWHISY-LBPRGKRZSA-N 0 3 390.879 0.906 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)C1 ZINC001576204487 950464706 /nfs/dbraw/zinc/46/47/06/950464706.db2.gz PCRGANAHIWHISY-LBPRGKRZSA-N 0 3 390.879 0.906 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCC[NH+](C)C ZINC001574751921 950466353 /nfs/dbraw/zinc/46/63/53/950466353.db2.gz RJUYJRMCKSPQTA-LBPRGKRZSA-N 0 3 376.465 0.503 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCC[NH+](C)C ZINC001574751921 950466366 /nfs/dbraw/zinc/46/63/66/950466366.db2.gz RJUYJRMCKSPQTA-LBPRGKRZSA-N 0 3 376.465 0.503 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574508058 950469352 /nfs/dbraw/zinc/46/93/52/950469352.db2.gz LYBFWEPOKNNDDH-WHOFXGATSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574508058 950469365 /nfs/dbraw/zinc/46/93/65/950469365.db2.gz LYBFWEPOKNNDDH-WHOFXGATSA-N 0 3 386.460 0.298 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574752134 950472701 /nfs/dbraw/zinc/47/27/01/950472701.db2.gz UDJHOXDQCLPKNV-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574752134 950472711 /nfs/dbraw/zinc/47/27/11/950472711.db2.gz UDJHOXDQCLPKNV-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC001574994462 950479757 /nfs/dbraw/zinc/47/97/57/950479757.db2.gz RNEGZBQALQUUJY-RFAUZJTJSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC001574994462 950479767 /nfs/dbraw/zinc/47/97/67/950479767.db2.gz RNEGZBQALQUUJY-RFAUZJTJSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC001574994459 950480852 /nfs/dbraw/zinc/48/08/52/950480852.db2.gz RKDBOYKMILUIQB-TZMCWYRMSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC001574994459 950480867 /nfs/dbraw/zinc/48/08/67/950480867.db2.gz RKDBOYKMILUIQB-TZMCWYRMSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576205062 950492047 /nfs/dbraw/zinc/49/20/47/950492047.db2.gz GDFHVTCJTDFUJN-GJZGRUSLSA-N 0 3 384.488 0.936 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576205062 950492056 /nfs/dbraw/zinc/49/20/56/950492056.db2.gz GDFHVTCJTDFUJN-GJZGRUSLSA-N 0 3 384.488 0.936 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576205061 950493444 /nfs/dbraw/zinc/49/34/44/950493444.db2.gz GDFHVTCJTDFUJN-CABCVRRESA-N 0 3 384.488 0.936 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576205061 950493454 /nfs/dbraw/zinc/49/34/54/950493454.db2.gz GDFHVTCJTDFUJN-CABCVRRESA-N 0 3 384.488 0.936 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575608110 950512724 /nfs/dbraw/zinc/51/27/24/950512724.db2.gz MZNFESHZDPPGEF-NJSLBKSFSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575608110 950512739 /nfs/dbraw/zinc/51/27/39/950512739.db2.gz MZNFESHZDPPGEF-NJSLBKSFSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575608104 950513630 /nfs/dbraw/zinc/51/36/30/950513630.db2.gz MZNFESHZDPPGEF-BIENJYKASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575608104 950513649 /nfs/dbraw/zinc/51/36/49/950513649.db2.gz MZNFESHZDPPGEF-BIENJYKASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001575608783 950515571 /nfs/dbraw/zinc/51/55/71/950515571.db2.gz RRHFYTCAZWGJFS-KHYOSLBOSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001575608783 950515589 /nfs/dbraw/zinc/51/55/89/950515589.db2.gz RRHFYTCAZWGJFS-KHYOSLBOSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574995681 950515970 /nfs/dbraw/zinc/51/59/70/950515970.db2.gz GRMJRLVLQUITNT-JTQLQIEISA-N 0 3 386.391 0.008 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574999297 950578833 /nfs/dbraw/zinc/57/88/33/950578833.db2.gz IYYUTLAXQBJHEX-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574999297 950578849 /nfs/dbraw/zinc/57/88/49/950578849.db2.gz IYYUTLAXQBJHEX-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574999297 950578864 /nfs/dbraw/zinc/57/88/64/950578864.db2.gz IYYUTLAXQBJHEX-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574999297 950578878 /nfs/dbraw/zinc/57/88/78/950578878.db2.gz IYYUTLAXQBJHEX-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573871414 950619077 /nfs/dbraw/zinc/61/90/77/950619077.db2.gz PYNWJJHWMNHMCO-LBPRGKRZSA-N 0 3 380.424 0.388 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574760853 950685553 /nfs/dbraw/zinc/68/55/53/950685553.db2.gz NAGYXTAUZNGLRM-VIFPVBQESA-N 0 3 376.446 0.618 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574761022 950689471 /nfs/dbraw/zinc/68/94/71/950689471.db2.gz QFXRHVAXUKQGKF-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574761022 950689482 /nfs/dbraw/zinc/68/94/82/950689482.db2.gz QFXRHVAXUKQGKF-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCCO2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575005608 950695666 /nfs/dbraw/zinc/69/56/66/950695666.db2.gz IVVKEQKVECDDNK-GFCCVEGCSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCCO2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575005608 950695681 /nfs/dbraw/zinc/69/56/81/950695681.db2.gz IVVKEQKVECDDNK-GFCCVEGCSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574519906 950702147 /nfs/dbraw/zinc/70/21/47/950702147.db2.gz JTMZJORKRAXUIM-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574519906 950702162 /nfs/dbraw/zinc/70/21/62/950702162.db2.gz JTMZJORKRAXUIM-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576216004 950721162 /nfs/dbraw/zinc/72/11/62/950721162.db2.gz XTWIIYVBSNIOSB-MGPQQGTHSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576216004 950721176 /nfs/dbraw/zinc/72/11/76/950721176.db2.gz XTWIIYVBSNIOSB-MGPQQGTHSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)C1(C(N)=O)CC1 ZINC001574520338 950724201 /nfs/dbraw/zinc/72/42/01/950724201.db2.gz QCOXQMOBEPNOGL-GHMZBOCLSA-N 0 3 389.435 0.644 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)C1(C(N)=O)CC1 ZINC001574520338 950724218 /nfs/dbraw/zinc/72/42/18/950724218.db2.gz QCOXQMOBEPNOGL-GHMZBOCLSA-N 0 3 389.435 0.644 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)C1(C(N)=O)CC1 ZINC001574520340 950726579 /nfs/dbraw/zinc/72/65/79/950726579.db2.gz QCOXQMOBEPNOGL-QWRGUYRKSA-N 0 3 389.435 0.644 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)C1(C(N)=O)CC1 ZINC001574520340 950726591 /nfs/dbraw/zinc/72/65/91/950726591.db2.gz QCOXQMOBEPNOGL-QWRGUYRKSA-N 0 3 389.435 0.644 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575006905 950730528 /nfs/dbraw/zinc/73/05/28/950730528.db2.gz XTVGCDZVRCDLEK-LBPRGKRZSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575006905 950730536 /nfs/dbraw/zinc/73/05/36/950730536.db2.gz XTVGCDZVRCDLEK-LBPRGKRZSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575006905 950730548 /nfs/dbraw/zinc/73/05/48/950730548.db2.gz XTVGCDZVRCDLEK-LBPRGKRZSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575006905 950730560 /nfs/dbraw/zinc/73/05/60/950730560.db2.gz XTVGCDZVRCDLEK-LBPRGKRZSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575008718 950752639 /nfs/dbraw/zinc/75/26/39/950752639.db2.gz HEOGSDBSGKRFJR-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575008718 950752651 /nfs/dbraw/zinc/75/26/51/950752651.db2.gz HEOGSDBSGKRFJR-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575008718 950752662 /nfs/dbraw/zinc/75/26/62/950752662.db2.gz HEOGSDBSGKRFJR-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575008718 950752671 /nfs/dbraw/zinc/75/26/71/950752671.db2.gz HEOGSDBSGKRFJR-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CN1CCCC1=O ZINC001574520882 950757789 /nfs/dbraw/zinc/75/77/89/950757789.db2.gz ASWCONNAPUAVKI-UONOGXRCSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CN1CCCC1=O ZINC001574520882 950757808 /nfs/dbraw/zinc/75/78/08/950757808.db2.gz ASWCONNAPUAVKI-UONOGXRCSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)NC(C)(C)C ZINC001575008878 950760987 /nfs/dbraw/zinc/76/09/87/950760987.db2.gz JOSGDEAGCMIFRU-GHMZBOCLSA-N 0 3 376.465 0.454 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CNC(=O)C1CC1 ZINC001574521026 950768032 /nfs/dbraw/zinc/76/80/32/950768032.db2.gz CMIOOOBWIBMCHI-QWHCGFSZSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CNC(=O)C1CC1 ZINC001574521026 950768045 /nfs/dbraw/zinc/76/80/45/950768045.db2.gz CMIOOOBWIBMCHI-QWHCGFSZSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CCNC(N)=O ZINC001574521091 950772545 /nfs/dbraw/zinc/77/25/45/950772545.db2.gz CZULEJIRVXNTAI-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)CCNC(N)=O ZINC001574521091 950772556 /nfs/dbraw/zinc/77/25/56/950772556.db2.gz CZULEJIRVXNTAI-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521362 950774248 /nfs/dbraw/zinc/77/42/48/950774248.db2.gz FSBRKDHMPWYCLS-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521362 950774265 /nfs/dbraw/zinc/77/42/65/950774265.db2.gz FSBRKDHMPWYCLS-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)N1CCCCC1 ZINC001575009153 950776539 /nfs/dbraw/zinc/77/65/39/950776539.db2.gz OMOABSQMQCQCKP-CHWSQXEVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)Cn1cncn1 ZINC001574522881 950801149 /nfs/dbraw/zinc/80/11/49/950801149.db2.gz LOLCRWHGOAVOOM-RYUDHWBXSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)Cn1cncn1 ZINC001574522881 950801165 /nfs/dbraw/zinc/80/11/65/950801165.db2.gz LOLCRWHGOAVOOM-RYUDHWBXSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CCn1ccnn1 ZINC001574523161 950808010 /nfs/dbraw/zinc/80/80/10/950808010.db2.gz MMFFWVVYBGTLBX-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CCn1ccnn1 ZINC001574523161 950808031 /nfs/dbraw/zinc/80/80/31/950808031.db2.gz MMFFWVVYBGTLBX-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574523407 950812348 /nfs/dbraw/zinc/81/23/48/950812348.db2.gz MYGPNQBTTLOSKV-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574523434 950813258 /nfs/dbraw/zinc/81/32/58/950813258.db2.gz NOQATIKHHUAXBX-NEPJUHHUSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523655 950822046 /nfs/dbraw/zinc/82/20/46/950822046.db2.gz OVPNLZJLSVHSNO-VXGBXAGGSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523655 950822076 /nfs/dbraw/zinc/82/20/76/950822076.db2.gz OVPNLZJLSVHSNO-VXGBXAGGSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001576220103 950823778 /nfs/dbraw/zinc/82/37/78/950823778.db2.gz QJZCYJDBLAVYPI-JQWIXIFHSA-N 0 3 375.408 0.065 20 0 GCADHN C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001576220103 950823802 /nfs/dbraw/zinc/82/38/02/950823802.db2.gz QJZCYJDBLAVYPI-JQWIXIFHSA-N 0 3 375.408 0.065 20 0 GCADHN C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001576220102 950823912 /nfs/dbraw/zinc/82/39/12/950823912.db2.gz QJZCYJDBLAVYPI-CMPLNLGQSA-N 0 3 375.408 0.065 20 0 GCADHN C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001576220102 950823934 /nfs/dbraw/zinc/82/39/34/950823934.db2.gz QJZCYJDBLAVYPI-CMPLNLGQSA-N 0 3 375.408 0.065 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574523657 950824418 /nfs/dbraw/zinc/82/44/18/950824418.db2.gz OWZIECGXKRGSQG-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766837 950828067 /nfs/dbraw/zinc/82/80/67/950828067.db2.gz LGWZLIJMUNXWTB-DTWKUNHWSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766837 950828091 /nfs/dbraw/zinc/82/80/91/950828091.db2.gz LGWZLIJMUNXWTB-DTWKUNHWSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574523961 950839098 /nfs/dbraw/zinc/83/90/98/950839098.db2.gz SPKVNHXVIPOVOO-OLZOCXBDSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574523961 950839122 /nfs/dbraw/zinc/83/91/22/950839122.db2.gz SPKVNHXVIPOVOO-OLZOCXBDSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)Cn1cncn1 ZINC001574524294 950849239 /nfs/dbraw/zinc/84/92/39/950849239.db2.gz VFJGTOHBMBBYGB-NWDGAFQWSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[N@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767874 950870023 /nfs/dbraw/zinc/87/00/23/950870023.db2.gz QWVLCKUJEKONBN-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767874 950870034 /nfs/dbraw/zinc/87/00/34/950870034.db2.gz QWVLCKUJEKONBN-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[N@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767874 950870046 /nfs/dbraw/zinc/87/00/46/950870046.db2.gz QWVLCKUJEKONBN-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767874 950870057 /nfs/dbraw/zinc/87/00/57/950870057.db2.gz QWVLCKUJEKONBN-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575935350 950876203 /nfs/dbraw/zinc/87/62/03/950876203.db2.gz VPGIVIVBFIJJOZ-RISCZKNCSA-N 0 3 386.435 0.898 20 0 GCADHN C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575935350 950876223 /nfs/dbraw/zinc/87/62/23/950876223.db2.gz VPGIVIVBFIJJOZ-RISCZKNCSA-N 0 3 386.435 0.898 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527382 950881043 /nfs/dbraw/zinc/88/10/43/950881043.db2.gz BCKAHCSCMIUDRY-NWDGAFQWSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527382 950881058 /nfs/dbraw/zinc/88/10/58/950881058.db2.gz BCKAHCSCMIUDRY-NWDGAFQWSA-N 0 3 384.444 0.580 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@H](C)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001590207816 950881485 /nfs/dbraw/zinc/88/14/85/950881485.db2.gz DECVHRYLXRMKLS-AWEZNQCLSA-N 0 3 383.489 0.705 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)c1cnnn1C ZINC001574527178 950881629 /nfs/dbraw/zinc/88/16/29/950881629.db2.gz AJLGKSROGRVOTM-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)c1cnnn1C ZINC001574527178 950881640 /nfs/dbraw/zinc/88/16/40/950881640.db2.gz AJLGKSROGRVOTM-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001590207911 950883410 /nfs/dbraw/zinc/88/34/10/950883410.db2.gz DECVHRYLXRMKLS-CQSZACIVSA-N 0 3 383.489 0.705 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1nccnc1N)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574527432 950885240 /nfs/dbraw/zinc/88/52/40/950885240.db2.gz BPJKESUSOVURJP-NEPJUHHUSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1nccnc1N)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574527432 950885253 /nfs/dbraw/zinc/88/52/53/950885253.db2.gz BPJKESUSOVURJP-NEPJUHHUSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cnn(C)c1N ZINC001574527478 950890990 /nfs/dbraw/zinc/89/09/90/950890990.db2.gz CERWZDCOJVAJHW-RYUDHWBXSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cnn(C)c1N ZINC001574527478 950891007 /nfs/dbraw/zinc/89/10/07/950891007.db2.gz CERWZDCOJVAJHW-RYUDHWBXSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)c1cnn(C)n1 ZINC001574527483 950891198 /nfs/dbraw/zinc/89/11/98/950891198.db2.gz CFIRIXYGWGVEFW-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)c1cnn(C)n1 ZINC001574527483 950891213 /nfs/dbraw/zinc/89/12/13/950891213.db2.gz CFIRIXYGWGVEFW-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)c1cn(C)nn1 ZINC001574527588 950895548 /nfs/dbraw/zinc/89/55/48/950895548.db2.gz DSMVZFSHKHETSC-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)c1cn(C)nn1 ZINC001574527588 950895573 /nfs/dbraw/zinc/89/55/73/950895573.db2.gz DSMVZFSHKHETSC-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@H](O)Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768930 950905062 /nfs/dbraw/zinc/90/50/62/950905062.db2.gz XUWAJNYRXWIFQL-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@H](O)Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768930 950905070 /nfs/dbraw/zinc/90/50/70/950905070.db2.gz XUWAJNYRXWIFQL-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]CCCN1CCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527770 950905843 /nfs/dbraw/zinc/90/58/43/950905843.db2.gz GXJNKCHBLLVMAA-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]CCCN1CCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527770 950905861 /nfs/dbraw/zinc/90/58/61/950905861.db2.gz GXJNKCHBLLVMAA-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574527921 950914122 /nfs/dbraw/zinc/91/41/22/950914122.db2.gz IOYWXZZERQWNFM-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnn(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574527921 950914139 /nfs/dbraw/zinc/91/41/39/950914139.db2.gz IOYWXZZERQWNFM-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575015864 950950690 /nfs/dbraw/zinc/95/06/90/950950690.db2.gz WZVBULLCFPNLAP-LBPRGKRZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575015864 950950711 /nfs/dbraw/zinc/95/07/11/950950711.db2.gz WZVBULLCFPNLAP-LBPRGKRZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575018615 951022187 /nfs/dbraw/zinc/02/21/87/951022187.db2.gz MTNFXANSENLXNU-GFCCVEGCSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575018615 951022200 /nfs/dbraw/zinc/02/22/00/951022200.db2.gz MTNFXANSENLXNU-GFCCVEGCSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@H](CNC(=O)c1cccc(C(N)=O)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575026228 951140351 /nfs/dbraw/zinc/14/03/51/951140351.db2.gz HFSPGFJTOIDIOM-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575026229 951141016 /nfs/dbraw/zinc/14/10/16/951141016.db2.gz HFSPGFJTOIDIOM-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575027989 951165646 /nfs/dbraw/zinc/16/56/46/951165646.db2.gz SJAUUZVYKNYJRQ-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575027989 951165654 /nfs/dbraw/zinc/16/56/54/951165654.db2.gz SJAUUZVYKNYJRQ-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cccnc1C(N)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575032155 951219141 /nfs/dbraw/zinc/21/91/41/951219141.db2.gz SBXOMTDRSQGRDQ-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1cccnc1C(N)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575032155 951219152 /nfs/dbraw/zinc/21/91/52/951219152.db2.gz SBXOMTDRSQGRDQ-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575044342 951413446 /nfs/dbraw/zinc/41/34/46/951413446.db2.gz RISCDAJCVMFJGG-GFCCVEGCSA-N 0 3 381.444 0.631 20 0 GCADHN C[C@@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575045391 951425096 /nfs/dbraw/zinc/42/50/96/951425096.db2.gz BKONQQXGBXJDBO-LBPRGKRZSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575054749 951496371 /nfs/dbraw/zinc/49/63/71/951496371.db2.gz KMKJCLDHZJZOTR-GFCCVEGCSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575054749 951496376 /nfs/dbraw/zinc/49/63/76/951496376.db2.gz KMKJCLDHZJZOTR-GFCCVEGCSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@H](CNC(=O)c1nccn2ccnc12)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575066063 951592980 /nfs/dbraw/zinc/59/29/80/951592980.db2.gz DMXKXFOWVRYJNB-GFCCVEGCSA-N 0 3 377.412 0.818 20 0 GCADHN C[C@H](CNC(=O)c1nccn2ccnc12)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575066063 951592989 /nfs/dbraw/zinc/59/29/89/951592989.db2.gz DMXKXFOWVRYJNB-GFCCVEGCSA-N 0 3 377.412 0.818 20 0 GCADHN C[C@@H](CNC(=O)c1noc2c1COCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575067249 951606809 /nfs/dbraw/zinc/60/68/09/951606809.db2.gz PGOJBUYLDFBTJM-NSHDSACASA-N 0 3 383.412 0.836 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001575068543 951633960 /nfs/dbraw/zinc/63/39/60/951633960.db2.gz AISSVSGOMKFYIJ-STQMWFEESA-N 0 3 388.476 0.551 20 0 GCADHN C[C@](C[NH2+]CC(=O)N1CCCC1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575068857 951638408 /nfs/dbraw/zinc/63/84/08/951638408.db2.gz DFTDGPUKODVZOW-GOSISDBHSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NCC(C)(C)C ZINC001575069114 951640435 /nfs/dbraw/zinc/64/04/35/951640435.db2.gz GINTYQCHRCDELJ-NSHDSACASA-N 0 3 376.465 0.313 20 0 GCADHN C[C@H](C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575069870 951646387 /nfs/dbraw/zinc/64/63/87/951646387.db2.gz MPLFBFRNKYUCLX-DGCLKSJQSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCCCCC1 ZINC001575069839 951646415 /nfs/dbraw/zinc/64/64/15/951646415.db2.gz LWYYRCMINMUOHS-CYBMUJFWSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCCCCC1 ZINC001575069840 951646889 /nfs/dbraw/zinc/64/68/89/951646889.db2.gz LWYYRCMINMUOHS-ZDUSSCGKSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NC1CCCCC1 ZINC001575070539 951651645 /nfs/dbraw/zinc/65/16/45/951651645.db2.gz RFEMPBJZKSMARI-LBPRGKRZSA-N 0 3 388.476 0.599 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575077026 951658883 /nfs/dbraw/zinc/65/88/83/951658883.db2.gz AXYOVXIZVCNRIK-WCBMZHEXSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575077026 951658887 /nfs/dbraw/zinc/65/88/87/951658887.db2.gz AXYOVXIZVCNRIK-WCBMZHEXSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077225 951663770 /nfs/dbraw/zinc/66/37/70/951663770.db2.gz ATVJUGQXSCYGQM-IAQYHMDHSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077225 951663774 /nfs/dbraw/zinc/66/37/74/951663774.db2.gz ATVJUGQXSCYGQM-IAQYHMDHSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077253 951664210 /nfs/dbraw/zinc/66/42/10/951664210.db2.gz BGCZXZYMPWGSSG-NWDGAFQWSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077253 951664218 /nfs/dbraw/zinc/66/42/18/951664218.db2.gz BGCZXZYMPWGSSG-NWDGAFQWSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077256 951664262 /nfs/dbraw/zinc/66/42/62/951664262.db2.gz BHNAOYCDEGOCLJ-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077256 951664268 /nfs/dbraw/zinc/66/42/68/951664268.db2.gz BHNAOYCDEGOCLJ-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077195 951664439 /nfs/dbraw/zinc/66/44/39/951664439.db2.gz AGGUWMWMMJBKDW-ZDUSSCGKSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077195 951664447 /nfs/dbraw/zinc/66/44/47/951664447.db2.gz AGGUWMWMMJBKDW-ZDUSSCGKSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)Nc1ccccc1 ZINC001575077600 951672396 /nfs/dbraw/zinc/67/23/96/951672396.db2.gz GWEYVARDJFRBED-LBPRGKRZSA-N 0 3 382.428 0.789 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078260 951678964 /nfs/dbraw/zinc/67/89/64/951678964.db2.gz KSJKFUJAFFZERS-JTQLQIEISA-N 0 3 386.391 0.245 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078260 951678970 /nfs/dbraw/zinc/67/89/70/951678970.db2.gz KSJKFUJAFFZERS-JTQLQIEISA-N 0 3 386.391 0.245 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1ccn(C)n1 ZINC001575078527 951682879 /nfs/dbraw/zinc/68/28/79/951682879.db2.gz MWSZKDILWVHQKT-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575079034 951687509 /nfs/dbraw/zinc/68/75/09/951687509.db2.gz CJDCSEXHMRYSPL-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575079034 951687513 /nfs/dbraw/zinc/68/75/13/951687513.db2.gz CJDCSEXHMRYSPL-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079252 951688946 /nfs/dbraw/zinc/68/89/46/951688946.db2.gz MSBWHZJOSZPHDW-DOMZBBRYSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079252 951688955 /nfs/dbraw/zinc/68/89/55/951688955.db2.gz MSBWHZJOSZPHDW-DOMZBBRYSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079565 951693605 /nfs/dbraw/zinc/69/36/05/951693605.db2.gz RJJACCHEIPFGNP-MNOVXSKESA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079565 951693611 /nfs/dbraw/zinc/69/36/11/951693611.db2.gz RJJACCHEIPFGNP-MNOVXSKESA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](C[NH2+]CCn1cc(Cl)cn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575079709 951696550 /nfs/dbraw/zinc/69/65/50/951696550.db2.gz NWTGEHWFHGAEHQ-JTQLQIEISA-N 0 3 377.840 0.795 20 0 GCADHN C[C@@H](C[NH2+]CCn1cc(Cl)cn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575079709 951696552 /nfs/dbraw/zinc/69/65/52/951696552.db2.gz NWTGEHWFHGAEHQ-JTQLQIEISA-N 0 3 377.840 0.795 20 0 GCADHN C[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575079781 951697832 /nfs/dbraw/zinc/69/78/32/951697832.db2.gz OSYZGVISRSINQO-UKRRQHHQSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575079781 951697838 /nfs/dbraw/zinc/69/78/38/951697838.db2.gz OSYZGVISRSINQO-UKRRQHHQSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575079782 951698221 /nfs/dbraw/zinc/69/82/21/951698221.db2.gz OSYZGVISRSINQO-ZFWWWQNUSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575079782 951698230 /nfs/dbraw/zinc/69/82/30/951698230.db2.gz OSYZGVISRSINQO-ZFWWWQNUSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079789 951698414 /nfs/dbraw/zinc/69/84/14/951698414.db2.gz OUCJSVIIFRDNCP-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079789 951698418 /nfs/dbraw/zinc/69/84/18/951698418.db2.gz OUCJSVIIFRDNCP-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079892 951699482 /nfs/dbraw/zinc/69/94/82/951699482.db2.gz SKGPDRCQASMCCR-GTNSWQLSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079892 951699485 /nfs/dbraw/zinc/69/94/85/951699485.db2.gz SKGPDRCQASMCCR-GTNSWQLSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575079854 951699514 /nfs/dbraw/zinc/69/95/14/951699514.db2.gz HNBJOTBDWXRWTE-FZQKWOKYSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575079854 951699517 /nfs/dbraw/zinc/69/95/17/951699517.db2.gz HNBJOTBDWXRWTE-FZQKWOKYSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575080108 951704337 /nfs/dbraw/zinc/70/43/37/951704337.db2.gz VARWJIMMKWXRAL-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080120 951704452 /nfs/dbraw/zinc/70/44/52/951704452.db2.gz VKMUBVOOPRYQRU-GFCCVEGCSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080120 951704461 /nfs/dbraw/zinc/70/44/61/951704461.db2.gz VKMUBVOOPRYQRU-GFCCVEGCSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCn1cnnn1 ZINC001575080176 951707013 /nfs/dbraw/zinc/70/70/13/951707013.db2.gz WQNIUWHCSUOOPY-NSHDSACASA-N 0 3 388.411 0.019 20 0 GCADHN C[C@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080383 951707418 /nfs/dbraw/zinc/70/74/18/951707418.db2.gz KLYUFAUEWQQCST-XHDPSFHLSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080383 951707426 /nfs/dbraw/zinc/70/74/26/951707426.db2.gz KLYUFAUEWQQCST-XHDPSFHLSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080459 951709981 /nfs/dbraw/zinc/70/99/81/951709981.db2.gz MHUOWGGJBXJHSJ-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080459 951709990 /nfs/dbraw/zinc/70/99/90/951709990.db2.gz MHUOWGGJBXJHSJ-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082216 951730813 /nfs/dbraw/zinc/73/08/13/951730813.db2.gz VVPLJALHVVLJAB-YPMHNXCESA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082216 951730822 /nfs/dbraw/zinc/73/08/22/951730822.db2.gz VVPLJALHVVLJAB-YPMHNXCESA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCCC(N)=O ZINC001575082560 951734130 /nfs/dbraw/zinc/73/41/30/951734130.db2.gz XDSWOKYQOLTADP-NSHDSACASA-N 0 3 377.424 0.598 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCCC(N)=O ZINC001575082560 951734139 /nfs/dbraw/zinc/73/41/39/951734139.db2.gz XDSWOKYQOLTADP-NSHDSACASA-N 0 3 377.424 0.598 20 0 GCADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082707 951736885 /nfs/dbraw/zinc/73/68/85/951736885.db2.gz YJTHRQNDAAZQMY-MNOVXSKESA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082707 951736891 /nfs/dbraw/zinc/73/68/91/951736891.db2.gz YJTHRQNDAAZQMY-MNOVXSKESA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089132 951746073 /nfs/dbraw/zinc/74/60/73/951746073.db2.gz DUHXQJNYPRTNNH-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089132 951746076 /nfs/dbraw/zinc/74/60/76/951746076.db2.gz DUHXQJNYPRTNNH-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089072 951746703 /nfs/dbraw/zinc/74/67/03/951746703.db2.gz DARQLCXTXVJROU-NSHDSACASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089072 951746718 /nfs/dbraw/zinc/74/67/18/951746718.db2.gz DARQLCXTXVJROU-NSHDSACASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090200 951759177 /nfs/dbraw/zinc/75/91/77/951759177.db2.gz KARBBPAPSHMFMY-GTNSWQLSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090200 951759181 /nfs/dbraw/zinc/75/91/81/951759181.db2.gz KARBBPAPSHMFMY-GTNSWQLSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575090727 951763885 /nfs/dbraw/zinc/76/38/85/951763885.db2.gz LLRYCHDBJVPRBU-QFBILLFUSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575090727 951763890 /nfs/dbraw/zinc/76/38/90/951763890.db2.gz LLRYCHDBJVPRBU-QFBILLFUSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091008 951766854 /nfs/dbraw/zinc/76/68/54/951766854.db2.gz OTXTVSWGDOEAPA-RISCZKNCSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091008 951766859 /nfs/dbraw/zinc/76/68/59/951766859.db2.gz OTXTVSWGDOEAPA-RISCZKNCSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090960 951766938 /nfs/dbraw/zinc/76/69/38/951766938.db2.gz ONPNOXUWBZHEJB-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090960 951766939 /nfs/dbraw/zinc/76/69/39/951766939.db2.gz ONPNOXUWBZHEJB-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091051 951768299 /nfs/dbraw/zinc/76/82/99/951768299.db2.gz NDPCIQUSPZUYNX-CZUORRHYSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091051 951768313 /nfs/dbraw/zinc/76/83/13/951768313.db2.gz NDPCIQUSPZUYNX-CZUORRHYSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CN1CCOCC1 ZINC001575091055 951768427 /nfs/dbraw/zinc/76/84/27/951768427.db2.gz NHIPOUPXTHKLKS-CYBMUJFWSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091206 951772290 /nfs/dbraw/zinc/77/22/90/951772290.db2.gz QDWWXQBBMXHEGD-ABAIWWIYSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091206 951772296 /nfs/dbraw/zinc/77/22/96/951772296.db2.gz QDWWXQBBMXHEGD-ABAIWWIYSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001575091225 951772500 /nfs/dbraw/zinc/77/25/00/951772500.db2.gz QFCDKORRNWTPPQ-GHMZBOCLSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001575091225 951772508 /nfs/dbraw/zinc/77/25/08/951772508.db2.gz QFCDKORRNWTPPQ-GHMZBOCLSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575091575 951779267 /nfs/dbraw/zinc/77/92/67/951779267.db2.gz SHCJNVBAVAOSOC-AAEUAGOBSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575091603 951779741 /nfs/dbraw/zinc/77/97/41/951779741.db2.gz SOVQHPVRJXFLRX-KSSFIOAISA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575091603 951779747 /nfs/dbraw/zinc/77/97/47/951779747.db2.gz SOVQHPVRJXFLRX-KSSFIOAISA-N 0 3 385.428 0.350 20 0 GCADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091727 951782068 /nfs/dbraw/zinc/78/20/68/951782068.db2.gz WXLWMINQQRJIKQ-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091727 951782077 /nfs/dbraw/zinc/78/20/77/951782077.db2.gz WXLWMINQQRJIKQ-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091704 951782473 /nfs/dbraw/zinc/78/24/73/951782473.db2.gz WKUOKAVYCXBMBE-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091704 951782478 /nfs/dbraw/zinc/78/24/78/951782478.db2.gz WKUOKAVYCXBMBE-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CN1CCCNC1=O ZINC001575092205 951791196 /nfs/dbraw/zinc/79/11/96/951791196.db2.gz AWUPEVCPLLEAMG-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CN1CCCNC1=O ZINC001575092205 951791203 /nfs/dbraw/zinc/79/12/03/951791203.db2.gz AWUPEVCPLLEAMG-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575094258 951801654 /nfs/dbraw/zinc/80/16/54/951801654.db2.gz MICQIPATKIESIF-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575094258 951801657 /nfs/dbraw/zinc/80/16/57/951801657.db2.gz MICQIPATKIESIF-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575093867 951802867 /nfs/dbraw/zinc/80/28/67/951802867.db2.gz LFPXEQGAAKQDJC-ZDUSSCGKSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575093867 951802872 /nfs/dbraw/zinc/80/28/72/951802872.db2.gz LFPXEQGAAKQDJC-ZDUSSCGKSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575095481 951813166 /nfs/dbraw/zinc/81/31/66/951813166.db2.gz USYUYWMJRCLYGV-WMLDXEAASA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575095481 951813176 /nfs/dbraw/zinc/81/31/76/951813176.db2.gz USYUYWMJRCLYGV-WMLDXEAASA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@]1(C)CCNC1=O ZINC001575101334 951857701 /nfs/dbraw/zinc/85/77/01/951857701.db2.gz BQXOGPJECQXOPC-ZMZPIMSZSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@]1(C)CCNC1=O ZINC001575101334 951857706 /nfs/dbraw/zinc/85/77/06/951857706.db2.gz BQXOGPJECQXOPC-ZMZPIMSZSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102394 951867248 /nfs/dbraw/zinc/86/72/48/951867248.db2.gz MNAZJWOPUQGJJZ-IAQYHMDHSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102394 951867256 /nfs/dbraw/zinc/86/72/56/951867256.db2.gz MNAZJWOPUQGJJZ-IAQYHMDHSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102395 951868611 /nfs/dbraw/zinc/86/86/11/951868611.db2.gz MNAZJWOPUQGJJZ-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102395 951868619 /nfs/dbraw/zinc/86/86/19/951868619.db2.gz MNAZJWOPUQGJJZ-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102393 951869069 /nfs/dbraw/zinc/86/90/69/951869069.db2.gz MNAZJWOPUQGJJZ-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102393 951869076 /nfs/dbraw/zinc/86/90/76/951869076.db2.gz MNAZJWOPUQGJJZ-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102649 951869975 /nfs/dbraw/zinc/86/99/75/951869975.db2.gz NQTCBWCECQDKHU-HZMBPMFUSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102649 951869986 /nfs/dbraw/zinc/86/99/86/951869986.db2.gz NQTCBWCECQDKHU-HZMBPMFUSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102708 951870122 /nfs/dbraw/zinc/87/01/22/951870122.db2.gz OWDDNXBOUVMXFZ-YPMHNXCESA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102708 951870128 /nfs/dbraw/zinc/87/01/28/951870128.db2.gz OWDDNXBOUVMXFZ-YPMHNXCESA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)(NC(=O)CC(N)=O)C1CC1 ZINC001575102675 951870899 /nfs/dbraw/zinc/87/08/99/951870899.db2.gz ODUOHQGXTKHWKV-KRWDZBQOSA-N 0 3 375.408 0.256 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)(NC(=O)CC(N)=O)C1CC1 ZINC001575102675 951870907 /nfs/dbraw/zinc/87/09/07/951870907.db2.gz ODUOHQGXTKHWKV-KRWDZBQOSA-N 0 3 375.408 0.256 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102992 951871747 /nfs/dbraw/zinc/87/17/47/951871747.db2.gz PZLCAKNTQCENEK-MLGOLLRUSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102992 951871754 /nfs/dbraw/zinc/87/17/54/951871754.db2.gz PZLCAKNTQCENEK-MLGOLLRUSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103040 951873241 /nfs/dbraw/zinc/87/32/41/951873241.db2.gz RKNVGSRRNPRYJV-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103040 951873248 /nfs/dbraw/zinc/87/32/48/951873248.db2.gz RKNVGSRRNPRYJV-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104015 951880170 /nfs/dbraw/zinc/88/01/70/951880170.db2.gz AWMITEJCEJMVRA-CZUORRHYSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104015 951880178 /nfs/dbraw/zinc/88/01/78/951880178.db2.gz AWMITEJCEJMVRA-CZUORRHYSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)Cc1cnn(C)c1 ZINC001575105395 951893713 /nfs/dbraw/zinc/89/37/13/951893713.db2.gz IPOUAWNUZMJLTP-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)Cc1cnn(C)c1 ZINC001575105395 951893722 /nfs/dbraw/zinc/89/37/22/951893722.db2.gz IPOUAWNUZMJLTP-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105389 951894104 /nfs/dbraw/zinc/89/41/04/951894104.db2.gz IPILCWBNQITONN-ZDUSSCGKSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105389 951894108 /nfs/dbraw/zinc/89/41/08/951894108.db2.gz IPILCWBNQITONN-ZDUSSCGKSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575106558 951905332 /nfs/dbraw/zinc/90/53/32/951905332.db2.gz SDFBRYLAQZYCJB-SFHVURJKSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575106558 951905337 /nfs/dbraw/zinc/90/53/37/951905337.db2.gz SDFBRYLAQZYCJB-SFHVURJKSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575106764 951907411 /nfs/dbraw/zinc/90/74/11/951907411.db2.gz UJCVAQGJZRBRLQ-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575106764 951907414 /nfs/dbraw/zinc/90/74/14/951907414.db2.gz UJCVAQGJZRBRLQ-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CCn1cnnn1 ZINC001575106834 951907705 /nfs/dbraw/zinc/90/77/05/951907705.db2.gz VHEHBEIMSJEXOM-LLVKDONJSA-N 0 3 388.411 0.019 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CCn1cnnn1 ZINC001575106834 951907713 /nfs/dbraw/zinc/90/77/13/951907713.db2.gz VHEHBEIMSJEXOM-LLVKDONJSA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)Cc1ccn(C)n1 ZINC001575107138 951913213 /nfs/dbraw/zinc/91/32/13/951913213.db2.gz ZVYBAHNEQKHEPS-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)Cc1ccn(C)n1 ZINC001575107138 951913216 /nfs/dbraw/zinc/91/32/16/951913216.db2.gz ZVYBAHNEQKHEPS-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107088 951913259 /nfs/dbraw/zinc/91/32/59/951913259.db2.gz YMDLFLXCCCEVIH-ZDUSSCGKSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107088 951913263 /nfs/dbraw/zinc/91/32/63/951913263.db2.gz YMDLFLXCCCEVIH-ZDUSSCGKSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107316 951916854 /nfs/dbraw/zinc/91/68/54/951916854.db2.gz CIXQZRWEKSZAPL-GFCCVEGCSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107316 951916857 /nfs/dbraw/zinc/91/68/57/951916857.db2.gz CIXQZRWEKSZAPL-GFCCVEGCSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575108837 951926440 /nfs/dbraw/zinc/92/64/40/951926440.db2.gz OBVZESDULCVZRU-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575108837 951926445 /nfs/dbraw/zinc/92/64/45/951926445.db2.gz OBVZESDULCVZRU-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575108835 951926509 /nfs/dbraw/zinc/92/65/09/951926509.db2.gz OBVZESDULCVZRU-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575108835 951926515 /nfs/dbraw/zinc/92/65/15/951926515.db2.gz OBVZESDULCVZRU-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108888 951928291 /nfs/dbraw/zinc/92/82/91/951928291.db2.gz OZGMVFIVBLWWDP-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108888 951928295 /nfs/dbraw/zinc/92/82/95/951928295.db2.gz OZGMVFIVBLWWDP-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575109503 951930236 /nfs/dbraw/zinc/93/02/36/951930236.db2.gz RNEPFDJKSFBUEJ-CYBMUJFWSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575109503 951930241 /nfs/dbraw/zinc/93/02/41/951930241.db2.gz RNEPFDJKSFBUEJ-CYBMUJFWSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575110386 951939467 /nfs/dbraw/zinc/93/94/67/951939467.db2.gz ZXHXDGUYZSXYFE-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575110386 951939472 /nfs/dbraw/zinc/93/94/72/951939472.db2.gz ZXHXDGUYZSXYFE-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113592 951941035 /nfs/dbraw/zinc/94/10/35/951941035.db2.gz BVPRQQOPBKMLLA-LBPRGKRZSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113592 951941040 /nfs/dbraw/zinc/94/10/40/951941040.db2.gz BVPRQQOPBKMLLA-LBPRGKRZSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113874 951947084 /nfs/dbraw/zinc/94/70/84/951947084.db2.gz HLZRNTODSUIAIB-NSHDSACASA-N 0 3 383.412 0.714 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113874 951947091 /nfs/dbraw/zinc/94/70/91/951947091.db2.gz HLZRNTODSUIAIB-NSHDSACASA-N 0 3 383.412 0.714 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114751 951958594 /nfs/dbraw/zinc/95/85/94/951958594.db2.gz SESATXTVAJIQHY-CYBMUJFWSA-N 0 3 386.460 0.124 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114751 951958600 /nfs/dbraw/zinc/95/86/00/951958600.db2.gz SESATXTVAJIQHY-CYBMUJFWSA-N 0 3 386.460 0.124 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114600 951958616 /nfs/dbraw/zinc/95/86/16/951958616.db2.gz QSWGAJHYKHRGKQ-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114600 951958622 /nfs/dbraw/zinc/95/86/22/951958622.db2.gz QSWGAJHYKHRGKQ-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114615 951959045 /nfs/dbraw/zinc/95/90/45/951959045.db2.gz RGQBGJHYMLMHBM-RYUDHWBXSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114615 951959052 /nfs/dbraw/zinc/95/90/52/951959052.db2.gz RGQBGJHYMLMHBM-RYUDHWBXSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001575115762 951966742 /nfs/dbraw/zinc/96/67/42/951966742.db2.gz YSHKTWVBOSIVPX-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001575115762 951966749 /nfs/dbraw/zinc/96/67/49/951966749.db2.gz YSHKTWVBOSIVPX-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115815 951969197 /nfs/dbraw/zinc/96/91/97/951969197.db2.gz ZGTOIFCGJUMJBX-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115815 951969207 /nfs/dbraw/zinc/96/92/07/951969207.db2.gz ZGTOIFCGJUMJBX-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575184819 952423800 /nfs/dbraw/zinc/42/38/00/952423800.db2.gz DCSWFYGKEPEHTQ-RYUDHWBXSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575184819 952423803 /nfs/dbraw/zinc/42/38/03/952423803.db2.gz DCSWFYGKEPEHTQ-RYUDHWBXSA-N 0 3 380.474 0.142 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571121600 952520373 /nfs/dbraw/zinc/52/03/73/952520373.db2.gz AMXGAMXILRPLSI-CMPLNLGQSA-N 0 3 376.852 0.562 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571121600 952520375 /nfs/dbraw/zinc/52/03/75/952520375.db2.gz AMXGAMXILRPLSI-CMPLNLGQSA-N 0 3 376.852 0.562 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571121600 952520376 /nfs/dbraw/zinc/52/03/76/952520376.db2.gz AMXGAMXILRPLSI-CMPLNLGQSA-N 0 3 376.852 0.562 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571121600 952520378 /nfs/dbraw/zinc/52/03/78/952520378.db2.gz AMXGAMXILRPLSI-CMPLNLGQSA-N 0 3 376.852 0.562 20 0 GCADHN O=C(c1ncccn1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571123699 952532867 /nfs/dbraw/zinc/53/28/67/952532867.db2.gz UIESKCVGUVEEKS-IYBDPMFKSA-N 0 3 376.424 0.861 20 0 GCADHN O=C(c1ncccn1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571123699 952532870 /nfs/dbraw/zinc/53/28/70/952532870.db2.gz UIESKCVGUVEEKS-IYBDPMFKSA-N 0 3 376.424 0.861 20 0 GCADHN O=C(c1ncccn1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571123699 952532874 /nfs/dbraw/zinc/53/28/74/952532874.db2.gz UIESKCVGUVEEKS-IYBDPMFKSA-N 0 3 376.424 0.861 20 0 GCADHN O=C(c1ncccn1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571123699 952532877 /nfs/dbraw/zinc/53/28/77/952532877.db2.gz UIESKCVGUVEEKS-IYBDPMFKSA-N 0 3 376.424 0.861 20 0 GCADHN CC[C@H](C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)OC ZINC001571126960 952547843 /nfs/dbraw/zinc/54/78/43/952547843.db2.gz APXHXSSCGBLONS-ZIAGYGMSSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@H](C[N@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)OC ZINC001571126960 952547846 /nfs/dbraw/zinc/54/78/46/952547846.db2.gz APXHXSSCGBLONS-ZIAGYGMSSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@H](C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)OC ZINC001571126960 952547849 /nfs/dbraw/zinc/54/78/49/952547849.db2.gz APXHXSSCGBLONS-ZIAGYGMSSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@H](C[N@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)OC ZINC001571126960 952547850 /nfs/dbraw/zinc/54/78/50/952547850.db2.gz APXHXSSCGBLONS-ZIAGYGMSSA-N 0 3 377.449 0.441 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCOC2(CC[NH+](CCCF)CC2)C1 ZINC001571128806 952570760 /nfs/dbraw/zinc/57/07/60/952570760.db2.gz WUVWRNFYJVTYBF-UHFFFAOYSA-N 0 3 377.424 0.861 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCOC2(CC[NH+](CCCF)CC2)C1 ZINC001571128806 952570766 /nfs/dbraw/zinc/57/07/66/952570766.db2.gz WUVWRNFYJVTYBF-UHFFFAOYSA-N 0 3 377.424 0.861 20 0 GCADHN O=C(Cn1cncn1)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001571147226 952658678 /nfs/dbraw/zinc/65/86/78/952658678.db2.gz UEGIOMIJGAUKQP-UHFFFAOYSA-N 0 3 379.428 0.193 20 0 GCADHN O=C(Cn1cncn1)N1CC2(C1)CC[N@@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001571147226 952658679 /nfs/dbraw/zinc/65/86/79/952658679.db2.gz UEGIOMIJGAUKQP-UHFFFAOYSA-N 0 3 379.428 0.193 20 0 GCADHN O=C(Cn1cncn1)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[n-]n1)C2 ZINC001571147226 952658685 /nfs/dbraw/zinc/65/86/85/952658685.db2.gz UEGIOMIJGAUKQP-UHFFFAOYSA-N 0 3 379.428 0.193 20 0 GCADHN O=C(Cn1cncn1)N1CC2(C1)CC[N@@H+](Cc1ccccc1-c1nn[n-]n1)C2 ZINC001571147226 952658690 /nfs/dbraw/zinc/65/86/90/952658690.db2.gz UEGIOMIJGAUKQP-UHFFFAOYSA-N 0 3 379.428 0.193 20 0 GCADHN COc1cnc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC001571158321 952711693 /nfs/dbraw/zinc/71/16/93/952711693.db2.gz HCENSHINVJDODY-AWEZNQCLSA-N 0 3 380.412 0.670 20 0 GCADHN COc1cnc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC001571158321 952711697 /nfs/dbraw/zinc/71/16/97/952711697.db2.gz HCENSHINVJDODY-AWEZNQCLSA-N 0 3 380.412 0.670 20 0 GCADHN Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2ccnc2)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158888 952714700 /nfs/dbraw/zinc/71/47/00/952714700.db2.gz TXJUHORRAXUKQJ-SNPRPXQTSA-N 0 3 379.428 0.693 20 0 GCADHN Cc1nc[nH]c1C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001571160278 952725208 /nfs/dbraw/zinc/72/52/08/952725208.db2.gz XVNMCRBRVZMKLH-SWLSCSKDSA-N 0 3 379.428 0.953 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571160543 952727213 /nfs/dbraw/zinc/72/72/13/952727213.db2.gz JDVOLPSPOPXYAE-AWEZNQCLSA-N 0 3 380.412 0.344 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571160543 952727218 /nfs/dbraw/zinc/72/72/18/952727218.db2.gz JDVOLPSPOPXYAE-AWEZNQCLSA-N 0 3 380.412 0.344 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571160882 952730000 /nfs/dbraw/zinc/73/00/00/952730000.db2.gz OBOGGARBKIVYTI-LBPRGKRZSA-N 0 3 380.412 0.298 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571160882 952730005 /nfs/dbraw/zinc/73/00/05/952730005.db2.gz OBOGGARBKIVYTI-LBPRGKRZSA-N 0 3 380.412 0.298 20 0 GCADHN Cc1cc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2nc[nH]n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571162026 952736956 /nfs/dbraw/zinc/73/69/56/952736956.db2.gz IBBSRHHTVKJJBA-STQMWFEESA-N 0 3 380.416 0.572 20 0 GCADHN Cc1cc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2nc[nH]n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571162024 952737023 /nfs/dbraw/zinc/73/70/23/952737023.db2.gz IBBSRHHTVKJJBA-OLZOCXBDSA-N 0 3 380.416 0.572 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571165858 952755904 /nfs/dbraw/zinc/75/59/04/952755904.db2.gz HWISVFHZDHYWQN-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571165858 952755910 /nfs/dbraw/zinc/75/59/10/952755910.db2.gz HWISVFHZDHYWQN-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN O=C(N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1)C12CC[NH+](CC1)C2 ZINC001571172050 952801869 /nfs/dbraw/zinc/80/18/69/952801869.db2.gz LGVSBMFOPPSSML-OKILXGFUSA-N 0 3 380.456 0.537 20 0 GCADHN O=C(N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1)C12CC[NH+](CC1)C2 ZINC001571172050 952801876 /nfs/dbraw/zinc/80/18/76/952801876.db2.gz LGVSBMFOPPSSML-OKILXGFUSA-N 0 3 380.456 0.537 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001571182965 952872276 /nfs/dbraw/zinc/87/22/76/952872276.db2.gz KXNFGPAGPXMFMP-QSJFSLAZSA-N 0 3 381.440 0.034 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001571182965 952872280 /nfs/dbraw/zinc/87/22/80/952872280.db2.gz KXNFGPAGPXMFMP-QSJFSLAZSA-N 0 3 381.440 0.034 20 0 GCADHN C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571183519 952879381 /nfs/dbraw/zinc/87/93/81/952879381.db2.gz CKZBVMIPAGBDSR-WFASDCNBSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@H]1CN(C(=O)c2cnn(C)n2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571183519 952879384 /nfs/dbraw/zinc/87/93/84/952879384.db2.gz CKZBVMIPAGBDSR-WFASDCNBSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001571183632 952881289 /nfs/dbraw/zinc/88/12/89/952881289.db2.gz GLXODAFHNSZUOZ-KBPBESRZSA-N 0 3 381.444 0.792 20 0 GCADHN CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571183877 952884746 /nfs/dbraw/zinc/88/47/46/952884746.db2.gz LRGQTUYSMPHIBY-SHTZXODSSA-N 0 3 381.444 0.919 20 0 GCADHN CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571183877 952884749 /nfs/dbraw/zinc/88/47/49/952884749.db2.gz LRGQTUYSMPHIBY-SHTZXODSSA-N 0 3 381.444 0.919 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1cnn(C)n1 ZINC001571184010 952887021 /nfs/dbraw/zinc/88/70/21/952887021.db2.gz ONLBNHHPSMBUQJ-IUODEOHRSA-N 0 3 381.444 0.778 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1cnn(C)n1 ZINC001571184010 952887025 /nfs/dbraw/zinc/88/70/25/952887025.db2.gz ONLBNHHPSMBUQJ-IUODEOHRSA-N 0 3 381.444 0.778 20 0 GCADHN CCc1c[nH]c(CC(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571184357 952891336 /nfs/dbraw/zinc/89/13/36/952891336.db2.gz XLWBMMIDNJRNTL-ZDUSSCGKSA-N 0 3 381.444 0.793 20 0 GCADHN CCn1nncc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571184863 952899137 /nfs/dbraw/zinc/89/91/37/952899137.db2.gz FTYYDFKBHRTJOZ-CTYIDZIISA-N 0 3 381.444 0.776 20 0 GCADHN CCn1nncc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571184863 952899139 /nfs/dbraw/zinc/89/91/39/952899139.db2.gz FTYYDFKBHRTJOZ-CTYIDZIISA-N 0 3 381.444 0.776 20 0 GCADHN CCn1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001571186109 952905281 /nfs/dbraw/zinc/90/52/81/952905281.db2.gz SPXNOZGBYUVUHW-OAHLLOKOSA-N 0 3 381.444 0.873 20 0 GCADHN CCn1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001571186109 952905287 /nfs/dbraw/zinc/90/52/87/952905287.db2.gz SPXNOZGBYUVUHW-OAHLLOKOSA-N 0 3 381.444 0.873 20 0 GCADHN O=C(CCn1cncn1)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571188677 952918431 /nfs/dbraw/zinc/91/84/31/952918431.db2.gz GDCBCANUUJOTRS-HNNXBMFYSA-N 0 3 381.444 0.487 20 0 GCADHN O=C(CCn1cncn1)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571188677 952918434 /nfs/dbraw/zinc/91/84/34/952918434.db2.gz GDCBCANUUJOTRS-HNNXBMFYSA-N 0 3 381.444 0.487 20 0 GCADHN O=C(Cn1cncn1)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571188721 952919883 /nfs/dbraw/zinc/91/98/83/952919883.db2.gz GPDFUHDIQIDUDK-HOTGVXAUSA-N 0 3 381.444 0.533 20 0 GCADHN O=C(Cn1cncn1)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571188721 952919887 /nfs/dbraw/zinc/91/98/87/952919887.db2.gz GPDFUHDIQIDUDK-HOTGVXAUSA-N 0 3 381.444 0.533 20 0 GCADHN Cn1ncc(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571189328 952927531 /nfs/dbraw/zinc/92/75/31/952927531.db2.gz PSYUBUCFDHPCJK-UONOGXRCSA-N 0 3 381.444 0.826 20 0 GCADHN Cn1ncc(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571189328 952927538 /nfs/dbraw/zinc/92/75/38/952927538.db2.gz PSYUBUCFDHPCJK-UONOGXRCSA-N 0 3 381.444 0.826 20 0 GCADHN Cn1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)nn1 ZINC001571189415 952929847 /nfs/dbraw/zinc/92/98/47/952929847.db2.gz RGKUFURGGSYXSE-AWEZNQCLSA-N 0 3 381.444 0.780 20 0 GCADHN Cn1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)nn1 ZINC001571189415 952929852 /nfs/dbraw/zinc/92/98/52/952929852.db2.gz RGKUFURGGSYXSE-AWEZNQCLSA-N 0 3 381.444 0.780 20 0 GCADHN Cn1nncc1C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571189708 952933150 /nfs/dbraw/zinc/93/31/50/952933150.db2.gz SDJLLLGBJIWQPZ-HIFRSBDPSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1nncc1C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571189708 952933153 /nfs/dbraw/zinc/93/31/53/952933153.db2.gz SDJLLLGBJIWQPZ-HIFRSBDPSA-N 0 3 381.444 0.684 20 0 GCADHN Cc1nccnc1C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571189752 952935031 /nfs/dbraw/zinc/93/50/31/952935031.db2.gz TZEJWRSQXKMBNS-DGCLKSJQSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571199051 952996306 /nfs/dbraw/zinc/99/63/06/952996306.db2.gz KRXHCJSTMHDSAW-CYBMUJFWSA-N 0 3 382.428 0.998 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571199051 952996315 /nfs/dbraw/zinc/99/63/15/952996315.db2.gz KRXHCJSTMHDSAW-CYBMUJFWSA-N 0 3 382.428 0.998 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC001571199156 952996458 /nfs/dbraw/zinc/99/64/58/952996458.db2.gz MQZXRQOBPMQUSS-HZMBPMFUSA-N 0 3 382.428 0.854 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC001571199156 952996460 /nfs/dbraw/zinc/99/64/60/952996460.db2.gz MQZXRQOBPMQUSS-HZMBPMFUSA-N 0 3 382.428 0.854 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001571199523 953000279 /nfs/dbraw/zinc/00/02/79/953000279.db2.gz UDQXBFCVKWOLNW-AWEZNQCLSA-N 0 3 382.428 0.911 20 0 GCADHN COc1nn(C)cc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571199548 953001981 /nfs/dbraw/zinc/00/19/81/953001981.db2.gz UTTJZPFROPCXQE-BETUJISGSA-N 0 3 382.428 0.659 20 0 GCADHN COc1nn(C)cc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571199548 953001988 /nfs/dbraw/zinc/00/19/88/953001988.db2.gz UTTJZPFROPCXQE-BETUJISGSA-N 0 3 382.428 0.659 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571199803 953005168 /nfs/dbraw/zinc/00/51/68/953005168.db2.gz CJNVNFGMZROUBJ-BXUZGUMPSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571199803 953005173 /nfs/dbraw/zinc/00/51/73/953005173.db2.gz CJNVNFGMZROUBJ-BXUZGUMPSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571199806 953005645 /nfs/dbraw/zinc/00/56/45/953005645.db2.gz CJNVNFGMZROUBJ-SMDDNHRTSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571199806 953005649 /nfs/dbraw/zinc/00/56/49/953005649.db2.gz CJNVNFGMZROUBJ-SMDDNHRTSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571202089 953022803 /nfs/dbraw/zinc/02/28/03/953022803.db2.gz UZQWUJXYSKAJGH-RISCZKNCSA-N 0 3 382.428 0.556 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571202089 953022806 /nfs/dbraw/zinc/02/28/06/953022806.db2.gz UZQWUJXYSKAJGH-RISCZKNCSA-N 0 3 382.428 0.556 20 0 GCADHN Cn1c(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c[nH]c1=O ZINC001571204648 953031702 /nfs/dbraw/zinc/03/17/02/953031702.db2.gz AVFHXDVDVDZAMZ-XBXGTLAGSA-N 0 3 382.428 0.604 20 0 GCADHN Cn1c(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c[nH]c1=O ZINC001571204648 953031705 /nfs/dbraw/zinc/03/17/05/953031705.db2.gz AVFHXDVDVDZAMZ-XBXGTLAGSA-N 0 3 382.428 0.604 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CCn1cnnn1 ZINC001571206249 953049174 /nfs/dbraw/zinc/04/91/74/953049174.db2.gz SOVZQWQIBDTQEE-WFASDCNBSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CCn1cnnn1 ZINC001571206249 953049176 /nfs/dbraw/zinc/04/91/76/953049176.db2.gz SOVZQWQIBDTQEE-WFASDCNBSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571206642 953053601 /nfs/dbraw/zinc/05/36/01/953053601.db2.gz VUBKJOBDCZURHI-OCCSQVGLSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571206642 953053604 /nfs/dbraw/zinc/05/36/04/953053604.db2.gz VUBKJOBDCZURHI-OCCSQVGLSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001571206642 953053605 /nfs/dbraw/zinc/05/36/05/953053605.db2.gz VUBKJOBDCZURHI-OCCSQVGLSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001571206642 953053608 /nfs/dbraw/zinc/05/36/08/953053608.db2.gz VUBKJOBDCZURHI-OCCSQVGLSA-N 0 3 382.432 0.023 20 0 GCADHN Cc1nnc(CC(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)o1 ZINC001571206872 953056411 /nfs/dbraw/zinc/05/64/11/953056411.db2.gz SGDYFZSIQPTYPT-CQSZACIVSA-N 0 3 382.428 0.739 20 0 GCADHN Cc1nnc(CC(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)o1 ZINC001571206872 953056418 /nfs/dbraw/zinc/05/64/18/953056418.db2.gz SGDYFZSIQPTYPT-CQSZACIVSA-N 0 3 382.428 0.739 20 0 GCADHN O=C(Cc1ncc[nH]1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571207360 953062387 /nfs/dbraw/zinc/06/23/87/953062387.db2.gz YMPJUIJYEQUFSK-OAHLLOKOSA-N 0 3 382.428 0.150 20 0 GCADHN O=C(Cc1ncc[nH]1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571207360 953062389 /nfs/dbraw/zinc/06/23/89/953062389.db2.gz YMPJUIJYEQUFSK-OAHLLOKOSA-N 0 3 382.428 0.150 20 0 GCADHN Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001571209660 953066335 /nfs/dbraw/zinc/06/63/35/953066335.db2.gz ANQGSHYANMGVNW-ZDUSSCGKSA-N 0 3 382.432 0.032 20 0 GCADHN Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001571209660 953066336 /nfs/dbraw/zinc/06/63/36/953066336.db2.gz ANQGSHYANMGVNW-ZDUSSCGKSA-N 0 3 382.432 0.032 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571212022 953082535 /nfs/dbraw/zinc/08/25/35/953082535.db2.gz HJLOTKDOUVBTNP-SRCQZFHVSA-N 0 3 382.472 0.862 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571212022 953082538 /nfs/dbraw/zinc/08/25/38/953082538.db2.gz HJLOTKDOUVBTNP-SRCQZFHVSA-N 0 3 382.472 0.862 20 0 GCADHN Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)ccc1-c1nnn[n-]1 ZINC001571216861 953104383 /nfs/dbraw/zinc/10/43/83/953104383.db2.gz AYJTZSOTMGZQFY-LZWOXQAQSA-N 0 3 382.472 0.971 20 0 GCADHN Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)ccc1-c1nn[n-]n1 ZINC001571216861 953104387 /nfs/dbraw/zinc/10/43/87/953104387.db2.gz AYJTZSOTMGZQFY-LZWOXQAQSA-N 0 3 382.472 0.971 20 0 GCADHN O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C12CC[NH+](CC1)C2 ZINC001571216893 953104623 /nfs/dbraw/zinc/10/46/23/953104623.db2.gz BNWMVYCGQYGRCW-HNNXBMFYSA-N 0 3 382.472 0.833 20 0 GCADHN O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C12CC[NH+](CC1)C2 ZINC001571216893 953104625 /nfs/dbraw/zinc/10/46/25/953104625.db2.gz BNWMVYCGQYGRCW-HNNXBMFYSA-N 0 3 382.472 0.833 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@H]1CCNC(=O)C1 ZINC001571232470 953187801 /nfs/dbraw/zinc/18/78/01/953187801.db2.gz GBUVEQZMWLMRFT-SIWZUTFBSA-N 0 3 383.456 0.377 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@H]1CCNC(=O)C1 ZINC001571232470 953187803 /nfs/dbraw/zinc/18/78/03/953187803.db2.gz GBUVEQZMWLMRFT-SIWZUTFBSA-N 0 3 383.456 0.377 20 0 GCADHN C[C@@]1(C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)CCC(=O)N1 ZINC001571233299 953191473 /nfs/dbraw/zinc/19/14/73/953191473.db2.gz RHJXXPQRUMYHNF-IBGZPJMESA-N 0 3 383.456 0.616 20 0 GCADHN C[C@@]1(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCC(=O)N1 ZINC001571233299 953191476 /nfs/dbraw/zinc/19/14/76/953191476.db2.gz RHJXXPQRUMYHNF-IBGZPJMESA-N 0 3 383.456 0.616 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@]12CCOC2 ZINC001571233351 953191848 /nfs/dbraw/zinc/19/18/48/953191848.db2.gz SJMICAUUFLNGPE-ZTENYAIWSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@]12CCOC2 ZINC001571233351 953191851 /nfs/dbraw/zinc/19/18/51/953191851.db2.gz SJMICAUUFLNGPE-ZTENYAIWSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@]12CCOC2 ZINC001571233351 953191852 /nfs/dbraw/zinc/19/18/52/953191852.db2.gz SJMICAUUFLNGPE-ZTENYAIWSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@]12CCOC2 ZINC001571233351 953191854 /nfs/dbraw/zinc/19/18/54/953191854.db2.gz SJMICAUUFLNGPE-ZTENYAIWSA-N 0 3 383.456 0.910 20 0 GCADHN O=C([C@@H]1CCNC(=O)C1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571233421 953192246 /nfs/dbraw/zinc/19/22/46/953192246.db2.gz UXPKQDJTBSDCEX-HIFRSBDPSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@@H]1CCNC(=O)C1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571233421 953192247 /nfs/dbraw/zinc/19/22/47/953192247.db2.gz UXPKQDJTBSDCEX-HIFRSBDPSA-N 0 3 383.456 0.474 20 0 GCADHN CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1[NH2+]CCn1cccn1 ZINC001571233428 953192486 /nfs/dbraw/zinc/19/24/86/953192486.db2.gz VBFFXERQQCYFSY-KBPBESRZSA-N 0 3 383.460 0.922 20 0 GCADHN CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1[NH2+]CCn1cccn1 ZINC001571233428 953192489 /nfs/dbraw/zinc/19/24/89/953192489.db2.gz VBFFXERQQCYFSY-KBPBESRZSA-N 0 3 383.460 0.922 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCC(=O)N1 ZINC001571233459 953193290 /nfs/dbraw/zinc/19/32/90/953193290.db2.gz VOROWRJYOHNZGY-DJJJIMSYSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCC(=O)N1 ZINC001571233459 953193294 /nfs/dbraw/zinc/19/32/94/953193294.db2.gz VOROWRJYOHNZGY-DJJJIMSYSA-N 0 3 383.456 0.474 20 0 GCADHN Cn1cc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571233796 953196007 /nfs/dbraw/zinc/19/60/07/953196007.db2.gz DIEORPRWZXIOKX-CQSZACIVSA-N 0 3 383.460 0.707 20 0 GCADHN Cn1cc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571233796 953196008 /nfs/dbraw/zinc/19/60/08/953196008.db2.gz DIEORPRWZXIOKX-CQSZACIVSA-N 0 3 383.460 0.707 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cnon3)C2)cc1-c1nnn[n-]1 ZINC001571238235 953227141 /nfs/dbraw/zinc/22/71/41/953227141.db2.gz XOHWBERWFPCENS-HAQNSBGRSA-N 0 3 384.400 0.557 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cnon3)C2)cc1-c1nn[n-]n1 ZINC001571238235 953227142 /nfs/dbraw/zinc/22/71/42/953227142.db2.gz XOHWBERWFPCENS-HAQNSBGRSA-N 0 3 384.400 0.557 20 0 GCADHN C[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571239066 953235829 /nfs/dbraw/zinc/23/58/29/953235829.db2.gz FSFPEXSXHSWFHK-NHYWBVRUSA-N 0 3 384.419 0.990 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571239591 953240824 /nfs/dbraw/zinc/24/08/24/953240824.db2.gz NIXAEKBXSQDFBU-IAQYHMDHSA-N 0 3 384.419 0.990 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571239591 953240827 /nfs/dbraw/zinc/24/08/27/953240827.db2.gz NIXAEKBXSQDFBU-IAQYHMDHSA-N 0 3 384.419 0.990 20 0 GCADHN C[NH+](C)CC1(O)CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001571241587 953247899 /nfs/dbraw/zinc/24/78/99/953247899.db2.gz FHQIMMRUBKRRKT-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN C[NH+](C)CC1(O)CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001571241587 953247903 /nfs/dbraw/zinc/24/79/03/953247903.db2.gz FHQIMMRUBKRRKT-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571241947 953251418 /nfs/dbraw/zinc/25/14/18/953251418.db2.gz QLJMSNJWTSLYIE-WXYCVUISSA-N 0 3 384.440 0.660 20 0 GCADHN COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571241947 953251419 /nfs/dbraw/zinc/25/14/19/953251419.db2.gz QLJMSNJWTSLYIE-WXYCVUISSA-N 0 3 384.440 0.660 20 0 GCADHN O=C(Cn1cccn1)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571241900 953251497 /nfs/dbraw/zinc/25/14/97/953251497.db2.gz PCTCWVFDHPFJRT-HNNXBMFYSA-N 0 3 384.419 0.983 20 0 GCADHN Cn1cncc1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571242199 953253695 /nfs/dbraw/zinc/25/36/95/953253695.db2.gz WLDMWCJCZJZLJA-ZDUSSCGKSA-N 0 3 384.419 0.673 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1 ZINC001571245489 953274106 /nfs/dbraw/zinc/27/41/06/953274106.db2.gz JIAUBZGXMSVQPP-ZUZCIYMTSA-N 0 3 384.448 0.153 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1 ZINC001571245489 953274109 /nfs/dbraw/zinc/27/41/09/953274109.db2.gz JIAUBZGXMSVQPP-ZUZCIYMTSA-N 0 3 384.448 0.153 20 0 GCADHN O=C(Cn1ccnc1)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571248760 953297501 /nfs/dbraw/zinc/29/75/01/953297501.db2.gz ZHEOZEUVUJANHQ-GXTWGEPZSA-N 0 3 384.469 0.858 20 0 GCADHN O=C(Cn1ccnc1)N1CC[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571248760 953297506 /nfs/dbraw/zinc/29/75/06/953297506.db2.gz ZHEOZEUVUJANHQ-GXTWGEPZSA-N 0 3 384.469 0.858 20 0 GCADHN COc1cc(C[NH2+]C2CCN(CC(=O)[O-])CC2)cc(OC)c1OCC(N)=O ZINC001594058187 958055520 /nfs/dbraw/zinc/05/55/20/958055520.db2.gz BGXFLXGTBYQHHR-UHFFFAOYSA-N 0 3 381.429 0.207 20 0 GCADHN CC(C)[C@H]([NH2+]CCCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)C(=O)[O-] ZINC001591897671 976273515 /nfs/dbraw/zinc/27/35/15/976273515.db2.gz HXDGWPFKDCDSMO-ULQDDVLXSA-N 0 3 379.505 0.661 20 0 GCADHN C[C@@H](C(=O)NCC(=O)[O-])N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000736209681 978309798 /nfs/dbraw/zinc/30/97/98/978309798.db2.gz USGOQMPJWAZRON-MAUKXSAKSA-N 0 3 377.485 0.953 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C3)CC2)CC1 ZINC001596407195 983975988 /nfs/dbraw/zinc/97/59/88/983975988.db2.gz APOLVPHLMIGDJT-IRXDYDNUSA-N 0 3 395.500 0.515 20 0 GCADHN CN1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C[C@@H](C(=O)[O-])C1 ZINC001598214723 990872857 /nfs/dbraw/zinc/87/28/57/990872857.db2.gz PFPOJPIUMNWERK-UONOGXRCSA-N 0 3 386.493 0.306 20 0 GCADHN CN1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@H](C(=O)[O-])C1 ZINC001598239228 990969565 /nfs/dbraw/zinc/96/95/65/990969565.db2.gz HLXDYOAOYKUXOB-MRXNPFEDSA-N 0 3 378.473 0.785 20 0 GCADHN COc1cc(C[N@@H+](CC(=O)[O-])C[C@@H]2CCCN(C(=O)CN)C2)cc(OC)c1 ZINC001599405588 997290472 /nfs/dbraw/zinc/29/04/72/997290472.db2.gz AQGYVDRLRZSOKI-AWEZNQCLSA-N 0 3 379.457 0.788 20 0 GCADHN COc1cc(C[N@H+](CC(=O)[O-])C[C@@H]2CCCN(C(=O)CN)C2)cc(OC)c1 ZINC001599405588 997290480 /nfs/dbraw/zinc/29/04/80/997290480.db2.gz AQGYVDRLRZSOKI-AWEZNQCLSA-N 0 3 379.457 0.788 20 0 GCADHN COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3c([n-]2)n(C)c(=O)n(C)c3=O)cc1 ZINC001648466869 1126250787 /nfs/dbraw/zinc/25/07/87/1126250787.db2.gz QOTZGCVQENCEIX-LJQANCHMSA-N 0 3 387.440 0.052 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC2CCN(C)CC2)c1 ZINC000264162128 530152893 /nfs/dbraw/zinc/15/28/93/530152893.db2.gz SQHIJXDMCUBMMU-UHFFFAOYSA-N 0 3 389.543 0.899 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)cc1 ZINC000264193818 530153630 /nfs/dbraw/zinc/15/36/30/530153630.db2.gz NFODPSFHDJPRSZ-ZDUSSCGKSA-N 0 3 375.516 0.509 20 0 GCADHN COCCN(C(=O)NC[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000538074341 530153903 /nfs/dbraw/zinc/15/39/03/530153903.db2.gz CCNZLWHISAHPJY-HZPDHXFCSA-N 0 3 375.535 0.954 20 0 GCADHN CN(C)CCN(CCN(C)C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000530641671 530154540 /nfs/dbraw/zinc/15/45/40/530154540.db2.gz DOIVMYONKBFDSO-UHFFFAOYSA-N 0 3 390.575 0.405 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)CCNS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000530702557 530155999 /nfs/dbraw/zinc/15/59/99/530155999.db2.gz WEWZKWHZCQQJTI-HUUCEWRRSA-N 0 3 375.535 0.664 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000519932309 530115053 /nfs/dbraw/zinc/11/50/53/530115053.db2.gz SSNZOOQDAHBAJP-UHFFFAOYSA-N 0 3 382.511 0.923 20 0 GCADHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000253610850 530116427 /nfs/dbraw/zinc/11/64/27/530116427.db2.gz VFDOOWGWVNDLDP-MNOVXSKESA-N 0 3 387.278 0.948 20 0 GCADHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000253610850 530116431 /nfs/dbraw/zinc/11/64/31/530116431.db2.gz VFDOOWGWVNDLDP-MNOVXSKESA-N 0 3 387.278 0.948 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000668233718 530118888 /nfs/dbraw/zinc/11/88/88/530118888.db2.gz JQOYQBDQONTUAL-UHFFFAOYSA-N 0 3 388.515 0.022 20 0 GCADHN C[C@@H](N)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000648129030 530119190 /nfs/dbraw/zinc/11/91/90/530119190.db2.gz GIKNPCUDUIONCI-MFKMUULPSA-N 0 3 375.878 0.337 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1CCS(=O)(=O)CC1 ZINC000530485692 530120721 /nfs/dbraw/zinc/12/07/21/530120721.db2.gz SNJSCVYSOZBINI-UHFFFAOYSA-N 0 3 392.547 0.165 20 0 GCADHN COCCN(C)CCCNC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000642696128 530122001 /nfs/dbraw/zinc/12/20/01/530122001.db2.gz QZHQVXDWNXWQQJ-UHFFFAOYSA-N 0 3 378.539 0.506 20 0 GCADHN CN(C)CCOC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000607724382 530122320 /nfs/dbraw/zinc/12/23/20/530122320.db2.gz NGVBKTWAOSMMLI-UHFFFAOYSA-N 0 3 391.515 0.065 20 0 GCADHN CC[NH+](CC)CCNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000607717697 530122364 /nfs/dbraw/zinc/12/23/64/530122364.db2.gz RPAKTDVNHRSIKD-UHFFFAOYSA-N 0 3 390.531 0.121 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@]1(C)CCOC1 ZINC000571517017 530125877 /nfs/dbraw/zinc/12/58/77/530125877.db2.gz YGOJXGDINHIAQH-INIZCTEOSA-N 0 3 390.527 0.727 20 0 GCADHN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H](N)C1CCOCC1 ZINC000261947458 530131081 /nfs/dbraw/zinc/13/10/81/530131081.db2.gz JWLOUAXWOXBFCO-AWEZNQCLSA-N 0 3 385.262 0.995 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(CCC(=O)N2CCc3sccc3C2)C1 ZINC000264383506 530157205 /nfs/dbraw/zinc/15/72/05/530157205.db2.gz FXDXTNIMLFWJQL-ZDUSSCGKSA-N 0 3 386.543 0.528 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(CCC(=O)N2CCc3sccc3C2)C1 ZINC000264383503 530157258 /nfs/dbraw/zinc/15/72/58/530157258.db2.gz FXDXTNIMLFWJQL-CYBMUJFWSA-N 0 3 386.543 0.528 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCS(=O)(=O)CC)CC1 ZINC000413834367 530137511 /nfs/dbraw/zinc/13/75/11/530137511.db2.gz PSDRYJGLDSTISL-UHFFFAOYSA-N 0 3 376.523 0.007 20 0 GCADHN CC1(C)CNCCN1C(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000647841615 530137799 /nfs/dbraw/zinc/13/77/99/530137799.db2.gz FGOQTCNCGSJXDP-UHFFFAOYSA-N 0 3 390.303 0.938 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413808319 530137822 /nfs/dbraw/zinc/13/78/22/530137822.db2.gz HSQCEMRICFCPGC-KGLIPLIRSA-N 0 3 381.564 0.010 20 0 GCADHN CC1(C)CNCCN1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000647851053 530138364 /nfs/dbraw/zinc/13/83/64/530138364.db2.gz JIWSDDUXKICUNY-CQSZACIVSA-N 0 3 385.555 0.948 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000521361767 530138737 /nfs/dbraw/zinc/13/87/37/530138737.db2.gz QMEDDVMZQYASJK-AWEZNQCLSA-N 0 3 387.527 0.701 20 0 GCADHN CSCC[C@H]([NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000521354527 530139116 /nfs/dbraw/zinc/13/91/16/530139116.db2.gz JGWFWOLZVAZIQR-NSHDSACASA-N 0 3 383.898 0.954 20 0 GCADHN CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000414205800 530140963 /nfs/dbraw/zinc/14/09/63/530140963.db2.gz DGLKAGCTAYLJDB-LLVKDONJSA-N 0 3 390.483 0.734 20 0 GCADHN CC(C(=O)N(C)CC(=O)Nc1ccc(Br)cn1)S(C)(=O)=O ZINC000263923442 530148431 /nfs/dbraw/zinc/14/84/31/530148431.db2.gz QPSWLIMYZLWSAC-MRVPVSSYSA-N 0 3 378.248 0.674 20 0 GCADHN CN(C)Cc1ccc(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000643602126 530149587 /nfs/dbraw/zinc/14/95/87/530149587.db2.gz RIZAEKITPDNCRF-UHFFFAOYSA-N 0 3 383.495 0.874 20 0 GCADHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000264057948 530150949 /nfs/dbraw/zinc/15/09/49/530150949.db2.gz UXDQINGYYDITEU-NSHDSACASA-N 0 3 375.397 0.784 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000264113962 530152216 /nfs/dbraw/zinc/15/22/16/530152216.db2.gz BKOKLDYJABNQBN-LBPRGKRZSA-N 0 3 388.515 0.068 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)cc1)NC[C@]1(O)CN2CCC1CC2 ZINC000556849973 530189066 /nfs/dbraw/zinc/18/90/66/530189066.db2.gz MSVOXBSMOQWEBO-KRWDZBQOSA-N 0 3 396.285 0.752 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3F)CCN2C1=O ZINC000565608068 530189160 /nfs/dbraw/zinc/18/91/60/530189160.db2.gz CJEHMYWKEIVFDI-ONGXEEELSA-N 0 3 392.250 0.521 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1 ZINC000265770572 530189774 /nfs/dbraw/zinc/18/97/74/530189774.db2.gz CKRADLVQFZVLSH-DZGCQCFKSA-N 0 3 375.466 0.208 20 0 GCADHN Cc1ccc(Br)c(S(=O)(=O)NCCN[C@H](C)CC(N)=O)c1 ZINC000556912231 530190403 /nfs/dbraw/zinc/19/04/03/530190403.db2.gz PLVARSNOVBPHSA-SNVBAGLBSA-N 0 3 378.292 0.889 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)N1CCCC[C@@H]1C ZINC000046338060 530190566 /nfs/dbraw/zinc/19/05/66/530190566.db2.gz AEWAYJYNNXMVJI-GJZGRUSLSA-N 0 3 375.539 0.383 20 0 GCADHN C[C@@H](CNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1 ZINC000048128514 530197852 /nfs/dbraw/zinc/19/78/52/530197852.db2.gz MRGXTOAEZXRIIE-ZDUSSCGKSA-N 0 3 387.527 0.983 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000625420030 530198375 /nfs/dbraw/zinc/19/83/75/530198375.db2.gz CJXXJEKHGXSQSI-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000558209727 530207470 /nfs/dbraw/zinc/20/74/70/530207470.db2.gz YOHRTNJOXGOYDW-HNNXBMFYSA-N 0 3 375.535 1.000 20 0 GCADHN C[NH2+]CCOCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000624395084 530203173 /nfs/dbraw/zinc/20/31/73/530203173.db2.gz DVTNUWJYWBHCSB-UHFFFAOYSA-N 0 3 397.494 0.490 20 0 GCADHN CCCCN(C)CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000557928149 530203556 /nfs/dbraw/zinc/20/35/56/530203556.db2.gz VMVZLPNUQHFYQD-LLVKDONJSA-N 0 3 376.445 0.840 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOCCC[NH3+])c(OC)c1 ZINC000624408519 530204159 /nfs/dbraw/zinc/20/41/59/530204159.db2.gz WPZPFPUFUYBRTL-UHFFFAOYSA-N 0 3 395.503 0.101 20 0 GCADHN COC(=O)CNC(=O)CCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000264617536 530163012 /nfs/dbraw/zinc/16/30/12/530163012.db2.gz MIMFLWHBSQLBOY-UHFFFAOYSA-N 0 3 389.499 0.170 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)Cn1cc(Br)ccc1=O ZINC000264674412 530164588 /nfs/dbraw/zinc/16/45/88/530164588.db2.gz ZJDCFDZLANVXKZ-UHFFFAOYSA-N 0 3 385.306 0.707 20 0 GCADHN C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N(C)C)CN1CCN(C)CC1 ZINC000264741787 530166115 /nfs/dbraw/zinc/16/61/15/530166115.db2.gz GQKBKIYWXVMOOX-ZDUSSCGKSA-N 0 3 388.559 0.612 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584183787 530205794 /nfs/dbraw/zinc/20/57/94/530205794.db2.gz VOUMADBOZUESDM-OLZOCXBDSA-N 0 3 381.274 0.940 20 0 GCADHN CCS(=O)(=O)NCCCN[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266928210 530205843 /nfs/dbraw/zinc/20/58/43/530205843.db2.gz ZXDIGWDCPZGLQK-ZDUSSCGKSA-N 0 3 377.532 0.917 20 0 GCADHN C[NH+](C)CCn1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000522269760 530169306 /nfs/dbraw/zinc/16/93/06/530169306.db2.gz REVSEROBBSXLCS-UHFFFAOYSA-N 0 3 385.222 0.108 20 0 GCADHN CC(C)[C@H](CNC(=O)CNS(=O)(=O)c1cccs1)N1CCN(C)CC1 ZINC000264910012 530171273 /nfs/dbraw/zinc/17/12/73/530171273.db2.gz NIQGHSQHSNHJPL-AWEZNQCLSA-N 0 3 388.559 0.415 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188664920 530176216 /nfs/dbraw/zinc/17/62/16/530176216.db2.gz XZWBNMKXUDOPLD-UHFFFAOYSA-N 0 3 379.214 0.219 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1 ZINC000265183451 530177212 /nfs/dbraw/zinc/17/72/12/530177212.db2.gz FKYZYBBIXGCOEJ-CQSZACIVSA-N 0 3 389.543 0.899 20 0 GCADHN CCN1CCN(CCNC(=O)c2cc(I)c[nH]2)CC1 ZINC000265272044 530177848 /nfs/dbraw/zinc/17/78/48/530177848.db2.gz GTQWSTGUFNUUJE-UHFFFAOYSA-N 0 3 376.242 0.987 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CCO1 ZINC000265340834 530179677 /nfs/dbraw/zinc/17/96/77/530179677.db2.gz HZGWWPQVOYKMFH-UONOGXRCSA-N 0 3 387.527 0.690 20 0 GCADHN C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)N(C)C ZINC000616489118 530180471 /nfs/dbraw/zinc/18/04/71/530180471.db2.gz MHAFFVAJCQWXGT-LBPRGKRZSA-N 0 3 389.543 0.821 20 0 GCADHN COCCCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000556409960 530182266 /nfs/dbraw/zinc/18/22/66/530182266.db2.gz NMHJCSSRLDVKBN-GFCCVEGCSA-N 0 3 377.484 0.546 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)NCCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000363386182 530183314 /nfs/dbraw/zinc/18/33/14/530183314.db2.gz LFFDLVSLZHCGQJ-OKILXGFUSA-N 0 3 376.523 0.066 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCC(O)CC1 ZINC000265519791 530184745 /nfs/dbraw/zinc/18/47/45/530184745.db2.gz TZYARALNJMGBKJ-GFCCVEGCSA-N 0 3 375.516 0.378 20 0 GCADHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414466489 530222624 /nfs/dbraw/zinc/22/26/24/530222624.db2.gz VSKRHACYMXSEGZ-GJZGRUSLSA-N 0 3 375.516 0.698 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@]3(F)CCNC3)CC2)c(C)s1 ZINC000370800694 530251175 /nfs/dbraw/zinc/25/11/75/530251175.db2.gz PCKNTYIMEQVBSU-OAHLLOKOSA-N 0 3 375.491 0.899 20 0 GCADHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000105685360 530251182 /nfs/dbraw/zinc/25/11/82/530251182.db2.gz CBFYVNRSSQSDGY-UHFFFAOYSA-N 0 3 375.516 0.827 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2nn(C)cc2Br)CC1 ZINC000293112607 530224191 /nfs/dbraw/zinc/22/41/91/530224191.db2.gz PNUNVQMMYCCJGR-UHFFFAOYSA-N 0 3 386.294 0.809 20 0 GCADHN CN1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000518137963 530225077 /nfs/dbraw/zinc/22/50/77/530225077.db2.gz YGDYUVYXGSEOJI-ZDUSSCGKSA-N 0 3 386.543 0.824 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@]3(F)CCNC3)CC2)c(C)s1 ZINC000370800693 530251233 /nfs/dbraw/zinc/25/12/33/530251233.db2.gz PCKNTYIMEQVBSU-HNNXBMFYSA-N 0 3 375.491 0.899 20 0 GCADHN CC1(C)CN(C2(CNC(=O)CCNS(C)(=O)=O)CCCCC2)CCO1 ZINC000518202831 530225685 /nfs/dbraw/zinc/22/56/85/530225685.db2.gz RCYXHBGZYAUJHO-UHFFFAOYSA-N 0 3 375.535 0.856 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000268427143 530227188 /nfs/dbraw/zinc/22/71/88/530227188.db2.gz CKEOYTXTHYQEDJ-UHFFFAOYSA-N 0 3 389.543 0.768 20 0 GCADHN C[C@@H](C(=O)N(C)CCCN(C)CCN(C)C)S(=O)(=O)C1CCOCC1 ZINC000518436196 530229975 /nfs/dbraw/zinc/22/99/75/530229975.db2.gz CLDAQBIJFXYHBO-HNNXBMFYSA-N 0 3 377.551 0.311 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCNC2CC2)cc1 ZINC000647209780 530230441 /nfs/dbraw/zinc/23/04/41/530230441.db2.gz DPXJBYMFITZGTB-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268633189 530230735 /nfs/dbraw/zinc/23/07/35/530230735.db2.gz PJYNUBYWNBQKLJ-OAHLLOKOSA-N 0 3 389.543 0.568 20 0 GCADHN CN1CC[C@@H]2OCCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)[C@@H]2C1 ZINC000328951552 530231991 /nfs/dbraw/zinc/23/19/91/530231991.db2.gz HUDPQAXYZSAQNH-MNOVXSKESA-N 0 3 393.918 0.611 20 0 GCADHN CN1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)[C@@H]2C1 ZINC000328951550 530232103 /nfs/dbraw/zinc/23/21/03/530232103.db2.gz HUDPQAXYZSAQNH-GHMZBOCLSA-N 0 3 393.918 0.611 20 0 GCADHN CCS(=O)(=O)N(C)CCCN[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000268808270 530232676 /nfs/dbraw/zinc/23/26/76/530232676.db2.gz JVOXDOUGZGBVSG-ZDUSSCGKSA-N 0 3 377.532 0.917 20 0 GCADHN CC(C(=O)NC[C@@H](O)COc1ccccc1Br)S(C)(=O)=O ZINC000268936339 530234083 /nfs/dbraw/zinc/23/40/83/530234083.db2.gz YVLXYROGRMHVEF-VHSXEESVSA-N 0 3 380.260 0.738 20 0 GCADHN COCCCN1CCC(NC(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000588930198 530234325 /nfs/dbraw/zinc/23/43/25/530234325.db2.gz HFGDMOQBRPPMNW-UHFFFAOYSA-N 0 3 375.535 0.809 20 0 GCADHN CSCC[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000269066679 530234703 /nfs/dbraw/zinc/23/47/03/530234703.db2.gz XJBHHDOABOBMDL-OAHLLOKOSA-N 0 3 387.527 0.404 20 0 GCADHN O=C(N[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000269127741 530235587 /nfs/dbraw/zinc/23/55/87/530235587.db2.gz GXVFJOSUHNCBHQ-OLZOCXBDSA-N 0 3 387.889 0.889 20 0 GCADHN O=C(N[C@H]1CC[NH2+]C1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000269127744 530235736 /nfs/dbraw/zinc/23/57/36/530235736.db2.gz GXVFJOSUHNCBHQ-QWHCGFSZSA-N 0 3 387.889 0.889 20 0 GCADHN CC(C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000269145303 530235799 /nfs/dbraw/zinc/23/57/99/530235799.db2.gz NWZWQWAKIUGPKW-GFCCVEGCSA-N 0 3 387.889 0.856 20 0 GCADHN [NH3+][C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)C1 ZINC000269130358 530235808 /nfs/dbraw/zinc/23/58/08/530235808.db2.gz NWLUMVQLXDOZEK-OLZOCXBDSA-N 0 3 387.889 0.971 20 0 GCADHN [NH3+]CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000269129333 530235813 /nfs/dbraw/zinc/23/58/13/530235813.db2.gz NTDKHUJASANHDS-GFCCVEGCSA-N 0 3 375.878 0.876 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cccs1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000269434923 530240922 /nfs/dbraw/zinc/24/09/22/530240922.db2.gz ROBNUHCFFCBTQM-CYBMUJFWSA-N 0 3 375.516 0.380 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cccs1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000269434923 530240924 /nfs/dbraw/zinc/24/09/24/530240924.db2.gz ROBNUHCFFCBTQM-CYBMUJFWSA-N 0 3 375.516 0.380 20 0 GCADHN CN(C)[C@]1(CNC(=O)NCCNS(=O)(=O)c2cccs2)CCSC1 ZINC000269523170 530242415 /nfs/dbraw/zinc/24/24/15/530242415.db2.gz WHUFEGHMZNKBHC-AWEZNQCLSA-N 0 3 392.572 0.763 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccc(Br)c1)N1CCCNCC1 ZINC000236637347 530244956 /nfs/dbraw/zinc/24/49/56/530244956.db2.gz AWIAWWNYCFBFBS-UHFFFAOYSA-N 0 3 390.303 0.939 20 0 GCADHN CN1CCN(CCCNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000098035458 530245469 /nfs/dbraw/zinc/24/54/69/530245469.db2.gz JYSCDWPKUHVGTQ-UHFFFAOYSA-N 0 3 382.266 0.254 20 0 GCADHN CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CCOC)CCN(CC)CC ZINC000269694299 530245524 /nfs/dbraw/zinc/24/55/24/530245524.db2.gz XVQBMQJQFALULL-UHFFFAOYSA-N 0 3 376.479 0.565 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000647234497 530247882 /nfs/dbraw/zinc/24/78/82/530247882.db2.gz SAHALJSYKJRLNX-QMTHXVAHSA-N 0 3 395.478 0.324 20 0 GCADHN CN(CCCO)C1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000269784681 530249338 /nfs/dbraw/zinc/24/93/38/530249338.db2.gz PMRKTOOBLFYCMB-UHFFFAOYSA-N 0 3 390.527 0.557 20 0 GCADHN CS(=O)(=O)c1cccc(S(=O)(=O)NCCCCN2CCC[C@H]2CO)c1 ZINC000269811460 530250339 /nfs/dbraw/zinc/25/03/39/530250339.db2.gz UPRXTZSNOBQQRH-AWEZNQCLSA-N 0 3 390.527 0.605 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(S(=O)(=O)NC)cs2)CC1 ZINC000267162580 530209389 /nfs/dbraw/zinc/20/93/89/530209389.db2.gz QVVOOBKYVHVORR-CYBMUJFWSA-N 0 3 388.559 0.660 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)CCOCC(F)(F)F)C1 ZINC000558436892 530209571 /nfs/dbraw/zinc/20/95/71/530209571.db2.gz PDRCDKSRQPZTRG-LLVKDONJSA-N 0 3 375.413 0.072 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000066382187 530213553 /nfs/dbraw/zinc/21/35/53/530213553.db2.gz FOABHSXVUTZKNI-ZDUSSCGKSA-N 0 3 377.536 0.444 20 0 GCADHN CNS(=O)(=O)CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000267723109 530215981 /nfs/dbraw/zinc/21/59/81/530215981.db2.gz VLJUZHZGRRSLCB-UHFFFAOYSA-N 0 3 389.905 0.849 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000267983935 530218818 /nfs/dbraw/zinc/21/88/18/530218818.db2.gz OTMZGMZZUDAYDQ-STQMWFEESA-N 0 3 377.532 0.888 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000268045714 530220594 /nfs/dbraw/zinc/22/05/94/530220594.db2.gz ZLUWNAKQUBBVBK-CYBMUJFWSA-N 0 3 375.466 0.820 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2ccccc2Br)n1 ZINC000561158941 530273707 /nfs/dbraw/zinc/27/37/07/530273707.db2.gz KMMGZYAXBAWFKJ-UHFFFAOYSA-N 0 3 381.278 0.736 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cnc1Cl ZINC000123153078 530274052 /nfs/dbraw/zinc/27/40/52/530274052.db2.gz KTVJKECFOBIAAD-CQSZACIVSA-N 0 3 386.905 0.971 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000123743650 530275091 /nfs/dbraw/zinc/27/50/91/530275091.db2.gz HLFFWGVDDUCYAP-ZDUSSCGKSA-N 0 3 378.292 0.669 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)COc2cccc(I)c2)C1 ZINC000427473174 530275597 /nfs/dbraw/zinc/27/55/97/530275597.db2.gz UXUZMFSSMGOBJH-CQSZACIVSA-N 0 3 390.221 0.853 20 0 GCADHN CN1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cc(Br)cn(C)c1=O)C2 ZINC000125414533 530277841 /nfs/dbraw/zinc/27/78/41/530277841.db2.gz IUNGNUXOGPYFCR-NWDGAFQWSA-N 0 3 397.273 0.781 20 0 GCADHN CS[C@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)C[C@@H]1N(C)C ZINC000272028350 530277877 /nfs/dbraw/zinc/27/78/77/530277877.db2.gz MNNVDPGGVCAFFX-GJZGRUSLSA-N 0 3 386.543 0.558 20 0 GCADHN COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000647291767 530281421 /nfs/dbraw/zinc/28/14/21/530281421.db2.gz YVPHYDRBQVGECE-ZDUSSCGKSA-N 0 3 385.383 0.949 20 0 GCADHN C[C@@H]1CN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)[C@H](C)CN1 ZINC000272634695 530281713 /nfs/dbraw/zinc/28/17/13/530281713.db2.gz WSHXIEJRARBACF-CHWSQXEVSA-N 0 3 387.527 0.655 20 0 GCADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)[C@H](C)CN1 ZINC000272561919 530281888 /nfs/dbraw/zinc/28/18/88/530281888.db2.gz LTHRBUXGIRTWMQ-RKDXNWHRSA-N 0 3 396.332 0.998 20 0 GCADHN COC[C@@]1(C[N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CCC[NH2+]1 ZINC000647297002 530282346 /nfs/dbraw/zinc/28/23/46/530282346.db2.gz HUVBNXNMNVKKDV-NHYWBVRUSA-N 0 3 375.516 0.992 20 0 GCADHN O=S(=O)(NC[C@@H]1C[C@H](F)CN1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000647304470 530285662 /nfs/dbraw/zinc/28/56/62/530285662.db2.gz PEIZFVNYUOHNFZ-STQMWFEESA-N 0 3 391.490 0.449 20 0 GCADHN CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647304563 530285719 /nfs/dbraw/zinc/28/57/19/530285719.db2.gz UMKPWNADTXBTCK-RYUDHWBXSA-N 0 3 384.882 0.863 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)NCCCN1CCC(O)CC1 ZINC000129892082 530285968 /nfs/dbraw/zinc/28/59/68/530285968.db2.gz QNDUJPNVPWGPQE-UHFFFAOYSA-N 0 3 388.262 0.735 20 0 GCADHN CCCN(CC[NH+](CC)CC)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000130246366 530287133 /nfs/dbraw/zinc/28/71/33/530287133.db2.gz SLZNHUWAMWEMAN-UHFFFAOYSA-N 0 3 389.294 0.880 20 0 GCADHN COCCNc1nc(NC[C@@H]2CCCS2)nc(NC[C@@H]2CCCS2)n1 ZINC000448132223 530287360 /nfs/dbraw/zinc/28/73/60/530287360.db2.gz IQHGUIJZQHFVEV-STQMWFEESA-N 0 3 384.575 0.811 20 0 GCADHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000562062989 530287378 /nfs/dbraw/zinc/28/73/78/530287378.db2.gz QYLKXXYHXKIGTN-ZDUSSCGKSA-N 0 3 377.532 0.993 20 0 GCADHN COCCNc1nc(NC[C@H]2CCCS2)nc(NC[C@@H]2CCCS2)n1 ZINC000448132221 530287685 /nfs/dbraw/zinc/28/76/85/530287685.db2.gz IQHGUIJZQHFVEV-BETUJISGSA-N 0 3 384.575 0.811 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2csc(Br)c2)[C@H](CN)C1 ZINC000566963198 530294915 /nfs/dbraw/zinc/29/49/15/530294915.db2.gz IHYBEXFHUOFKTO-SNVBAGLBSA-N 0 3 375.292 0.228 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 ZINC000562412749 530292488 /nfs/dbraw/zinc/29/24/88/530292488.db2.gz MXEATPPEIITQBV-UHFFFAOYSA-N 0 3 377.532 0.744 20 0 GCADHN O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)N[C@@H]1CCN2CCCC[C@H]12 ZINC000269872399 530252894 /nfs/dbraw/zinc/25/28/94/530252894.db2.gz ZFLGVYRUHDYVNE-BFHYXJOUSA-N 0 3 387.527 0.809 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000269907012 530254095 /nfs/dbraw/zinc/25/40/95/530254095.db2.gz NFZBWAZMKVSTIT-INIZCTEOSA-N 0 3 389.543 0.504 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000269941543 530254603 /nfs/dbraw/zinc/25/46/03/530254603.db2.gz UDOBBFUIJMEASF-CQSZACIVSA-N 0 3 376.226 0.956 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110018461 530257298 /nfs/dbraw/zinc/25/72/98/530257298.db2.gz TUHMMAQWBGGMQA-AWEZNQCLSA-N 0 3 388.559 0.511 20 0 GCADHN CN(C)CCn1cc(NC(=O)Cn2cc(Br)ccc2=O)ccc1=O ZINC000270230999 530258007 /nfs/dbraw/zinc/25/80/07/530258007.db2.gz NWHJTWYWKDXZSQ-UHFFFAOYSA-N 0 3 395.257 0.973 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)C[C@@H]1N(C)C ZINC000270418086 530259749 /nfs/dbraw/zinc/25/97/49/530259749.db2.gz CJKDVWKTSFKKKH-SDDRHHMPSA-N 0 3 377.557 0.919 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)ccc1OC ZINC000270425251 530259793 /nfs/dbraw/zinc/25/97/93/530259793.db2.gz DXQYKBSSMOQNPI-GXTWGEPZSA-N 0 3 387.527 0.721 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)C[C@@H]1N(C)C ZINC000270451100 530259989 /nfs/dbraw/zinc/25/99/89/530259989.db2.gz JFMLZOWQCPLIBY-QWHCGFSZSA-N 0 3 375.516 0.956 20 0 GCADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000134176443 530293609 /nfs/dbraw/zinc/29/36/09/530293609.db2.gz CAFCGGXUNCSHST-NSHDSACASA-N 0 3 399.289 0.887 20 0 GCADHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H]1N(C)C ZINC000270622985 530262269 /nfs/dbraw/zinc/26/22/69/530262269.db2.gz DRCLNRVNUUEOBH-NILFDRSVSA-N 0 3 386.543 0.638 20 0 GCADHN CON(C)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000270620078 530262395 /nfs/dbraw/zinc/26/23/95/530262395.db2.gz GNNMAWVSSYHNMX-HUUCEWRRSA-N 0 3 387.527 0.986 20 0 GCADHN CN(CCOC[C@@H]1CCCO1)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000560314830 530262995 /nfs/dbraw/zinc/26/29/95/530262995.db2.gz IZEGNLDQKUNCTH-ZDUSSCGKSA-N 0 3 376.450 0.979 20 0 GCADHN C[C@@H]1CSC[C@@H]1NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000560492419 530266138 /nfs/dbraw/zinc/26/61/38/530266138.db2.gz WTZGLHSEIXCHHN-KBXIAJHMSA-N 0 3 376.544 0.522 20 0 GCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000134176253 530293848 /nfs/dbraw/zinc/29/38/48/530293848.db2.gz CAFCGGXUNCSHST-LLVKDONJSA-N 0 3 399.289 0.887 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1O ZINC000560636627 530268111 /nfs/dbraw/zinc/26/81/11/530268111.db2.gz YNNNCVGTJHIJAX-ILXRZTDVSA-N 0 3 396.285 0.935 20 0 GCADHN CC(C)C[NH+]1CCC(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000120286347 530269246 /nfs/dbraw/zinc/26/92/46/530269246.db2.gz TZKWJTUPYTYHCT-UHFFFAOYSA-N 0 3 387.278 0.536 20 0 GCADHN CCS(=O)(=O)Nc1ccc([C@@H](C)NCCNS(=O)(=O)NC(C)C)cc1 ZINC000277223334 530330137 /nfs/dbraw/zinc/33/01/37/530330137.db2.gz YAHVSELEZANFJD-CYBMUJFWSA-N 0 3 392.547 0.931 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000562806353 530295949 /nfs/dbraw/zinc/29/59/49/530295949.db2.gz QUTPHNIUSXHPCZ-ZJUUUORDSA-N 0 3 378.907 0.683 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F ZINC000274454792 530296884 /nfs/dbraw/zinc/29/68/84/530296884.db2.gz VXRXSGZKXWUVBR-UHFFFAOYSA-N 0 3 376.454 0.512 20 0 GCADHN COCCNc1nnc(S(=O)(=O)C(C)C(=O)NC[C@@H]2CCCO2)s1 ZINC000145978944 530297894 /nfs/dbraw/zinc/29/78/94/530297894.db2.gz HNNHZQPKUHWNFT-UWVGGRQHSA-N 0 3 378.476 0.054 20 0 GCADHN COCCCNC(=O)C(C)S(=O)(=O)c1nnc(NC[C@@H]2CCCO2)s1 ZINC000146476398 530297990 /nfs/dbraw/zinc/29/79/90/530297990.db2.gz HQJAAFZPSTWBED-QWRGUYRKSA-N 0 3 392.503 0.444 20 0 GCADHN CS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CN)C2)ccc1Br ZINC000274809893 530300554 /nfs/dbraw/zinc/30/05/54/530300554.db2.gz QQAXJPOUACBLNZ-JTQLQIEISA-N 0 3 377.260 0.652 20 0 GCADHN COCCCN1CCC(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000588974812 530300791 /nfs/dbraw/zinc/30/07/91/530300791.db2.gz QHIHGFZIWCUMOY-HNNXBMFYSA-N 0 3 376.523 0.211 20 0 GCADHN CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@H](CN)C2)c1 ZINC000274859053 530301119 /nfs/dbraw/zinc/30/11/19/530301119.db2.gz ZTMJQINJBLXCFR-SECBINFHSA-N 0 3 377.260 0.652 20 0 GCADHN COCCNc1nnc(S(=O)(=O)C(C)C(=O)NC[C@@H]2CCCO2)s1 ZINC000145979152 530304052 /nfs/dbraw/zinc/30/40/52/530304052.db2.gz HNNHZQPKUHWNFT-ZJUUUORDSA-N 0 3 378.476 0.054 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1 ZINC000298491424 530306889 /nfs/dbraw/zinc/30/68/89/530306889.db2.gz MGDVLAPFCJWWSE-JKSUJKDBSA-N 0 3 387.527 0.842 20 0 GCADHN CN(C)[C@]1(CNC(=O)NCCNS(=O)(=O)c2cccnc2)CCSC1 ZINC000448218289 530307860 /nfs/dbraw/zinc/30/78/60/530307860.db2.gz UKMLWOJWWYQRDE-HNNXBMFYSA-N 0 3 387.531 0.096 20 0 GCADHN CN(C)CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000151484035 530311855 /nfs/dbraw/zinc/31/18/55/530311855.db2.gz RABXPOHKEJVAGV-UHFFFAOYSA-N 0 3 398.305 0.925 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CCC1 ZINC000275530113 530312710 /nfs/dbraw/zinc/31/27/10/530312710.db2.gz WZPCDVMKLUYHNW-UHFFFAOYSA-N 0 3 387.527 0.989 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000151907788 530312971 /nfs/dbraw/zinc/31/29/71/530312971.db2.gz JNEZNUOKYXPXBU-UHFFFAOYSA-N 0 3 399.293 0.691 20 0 GCADHN CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCO[C@@H](CN)C1 ZINC000569928049 530313095 /nfs/dbraw/zinc/31/30/95/530313095.db2.gz WFXOEOHCKHXZSP-AWEZNQCLSA-N 0 3 390.527 0.304 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000569988998 530313799 /nfs/dbraw/zinc/31/37/99/530313799.db2.gz SVUMDBYNJGIOJV-VXGBXAGGSA-N 0 3 381.230 0.158 20 0 GCADHN COCCNCCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000152245898 530313923 /nfs/dbraw/zinc/31/39/23/530313923.db2.gz YJRSMZMJWLPQLL-UHFFFAOYSA-N 0 3 397.273 0.901 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCNS(C)(=O)=O ZINC000062478341 530314034 /nfs/dbraw/zinc/31/40/34/530314034.db2.gz IRNAPQOQOVGBJM-UHFFFAOYSA-N 0 3 378.445 0.587 20 0 GCADHN C[NH2+]CCCNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000570163050 530316215 /nfs/dbraw/zinc/31/62/15/530316215.db2.gz ZYSWPUMVLVLROQ-ZDUSSCGKSA-N 0 3 377.507 0.951 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000153589332 530316531 /nfs/dbraw/zinc/31/65/31/530316531.db2.gz FOSWWDPKMQUSJR-UHFFFAOYSA-N 0 3 398.305 0.926 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000570225721 530317226 /nfs/dbraw/zinc/31/72/26/530317226.db2.gz LVSCVHGADLOSOJ-PWSUYJOCSA-N 0 3 385.251 0.380 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCN(C2CCCCC2)CC1 ZINC000154980931 530319595 /nfs/dbraw/zinc/31/95/95/530319595.db2.gz NVZHFCCRVYGTRR-UHFFFAOYSA-N 0 3 399.289 0.776 20 0 GCADHN O=C(C[C@@H]1CSCCN1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000570443693 530319710 /nfs/dbraw/zinc/31/97/10/530319710.db2.gz QBRAPTKAMDDQME-HUUCEWRRSA-N 0 3 375.560 0.935 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277353256 530331315 /nfs/dbraw/zinc/33/13/15/530331315.db2.gz AEHBQZNCWMILRI-HNNXBMFYSA-N 0 3 377.894 0.855 20 0 GCADHN CN(C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000158849410 530327425 /nfs/dbraw/zinc/32/74/25/530327425.db2.gz HBFJELSJMBQZLJ-MRXNPFEDSA-N 0 3 397.273 0.894 20 0 GCADHN COCCOC[C@@H](O)CN[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000574912649 530327804 /nfs/dbraw/zinc/32/78/04/530327804.db2.gz RBWRPIAKUDOYHB-KGLIPLIRSA-N 0 3 378.516 0.515 20 0 GCADHN C[C@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)N1CCC[C@H](C)C1 ZINC000332690296 530328898 /nfs/dbraw/zinc/32/88/98/530328898.db2.gz RLZJGBUZSQJVLH-LSDHHAIUSA-N 0 3 392.591 0.785 20 0 GCADHN CCN1CCC[C@@H](CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000460492728 530357271 /nfs/dbraw/zinc/35/72/71/530357271.db2.gz QRIJXWXZEWAOKS-HNNXBMFYSA-N 0 3 389.543 0.616 20 0 GCADHN COc1cccc(OC)c1OC[C@H](O)CNCC(C)(C)NS(C)(=O)=O ZINC000644557383 530358629 /nfs/dbraw/zinc/35/86/29/530358629.db2.gz RIYFCCVPWLEPLR-GFCCVEGCSA-N 0 3 376.475 0.361 20 0 GCADHN O=S1(=O)CCO[C@@H](CNC[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644612639 530359292 /nfs/dbraw/zinc/35/92/92/530359292.db2.gz SGKGLQHFWOAMBC-JSGCOSHPSA-N 0 3 383.388 0.848 20 0 GCADHN O=S1(=O)CCO[C@H](CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644612641 530359377 /nfs/dbraw/zinc/35/93/77/530359377.db2.gz SGKGLQHFWOAMBC-TZMCWYRMSA-N 0 3 383.388 0.848 20 0 GCADHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC)C1 ZINC000281659464 530361218 /nfs/dbraw/zinc/36/12/18/530361218.db2.gz AMQVTKBMMZAGGG-ZDUSSCGKSA-N 0 3 375.516 0.700 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@@H]1CCC[NH2+]1 ZINC000178790096 530365135 /nfs/dbraw/zinc/36/51/35/530365135.db2.gz FLDMMRMBVJSFFM-QMMMGPOBSA-N 0 3 382.305 0.657 20 0 GCADHN C[NH2+]C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000179026796 530365433 /nfs/dbraw/zinc/36/54/33/530365433.db2.gz UJIVZQZRTKOWEH-VIFPVBQESA-N 0 3 396.332 0.857 20 0 GCADHN C[NH2+]C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000179026806 530365536 /nfs/dbraw/zinc/36/55/36/530365536.db2.gz UJIVZQZRTKOWEH-SECBINFHSA-N 0 3 396.332 0.857 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)N(C)C1CC1 ZINC000179730743 530367671 /nfs/dbraw/zinc/36/76/71/530367671.db2.gz HXLSXNRDLOKVNO-VIFPVBQESA-N 0 3 385.262 0.685 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000580058574 530332074 /nfs/dbraw/zinc/33/20/74/530332074.db2.gz PKTFJHYKEVBLFL-QLFBSQMISA-N 0 3 381.564 0.593 20 0 GCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000277453299 530332187 /nfs/dbraw/zinc/33/21/87/530332187.db2.gz GTPAUROMKHRXQW-NKWVEPMBSA-N 0 3 382.305 0.980 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000580073817 530332752 /nfs/dbraw/zinc/33/27/52/530332752.db2.gz VOMILEFKNOCRRP-MNOVXSKESA-N 0 3 383.561 0.634 20 0 GCADHN CN1CCC(O)(CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000277556556 530333014 /nfs/dbraw/zinc/33/30/14/530333014.db2.gz WEIYVVIOBKSAAM-UHFFFAOYSA-N 0 3 389.905 0.999 20 0 GCADHN CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)[C@@H](CN)C1 ZINC000162403182 530333386 /nfs/dbraw/zinc/33/33/86/530333386.db2.gz WMXPYFDQOUFCHX-ZDUSSCGKSA-N 0 3 386.543 0.176 20 0 GCADHN C[C@H]1CN(CCCNC(=O)CNS(=O)(=O)c2cccs2)CCCO1 ZINC000277584405 530333468 /nfs/dbraw/zinc/33/34/68/530333468.db2.gz OTNRYMBJPHDJDE-ZDUSSCGKSA-N 0 3 375.516 0.644 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@@H](O)C1CCC1 ZINC000647537031 530333766 /nfs/dbraw/zinc/33/37/66/530333766.db2.gz DFUGIPCSOKGEFR-CQSZACIVSA-N 0 3 390.527 0.461 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179949189 530368163 /nfs/dbraw/zinc/36/81/63/530368163.db2.gz GWHIAXBXXPNBMO-CQSZACIVSA-N 0 3 393.303 0.895 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCCC[C@@H]1[C@H](C)CO)S(C)(=O)=O ZINC000661432806 530336919 /nfs/dbraw/zinc/33/69/19/530336919.db2.gz CLIQQWMPYVHLEQ-HZPDHXFCSA-N 0 3 377.551 0.646 20 0 GCADHN COCCN1CC[C@@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623018519 530342219 /nfs/dbraw/zinc/34/22/19/530342219.db2.gz KZWAIFKHAFDWOD-GFCCVEGCSA-N 0 3 395.261 0.875 20 0 GCADHN CCN(CCC[NH+]1CCCC1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000188107591 530368618 /nfs/dbraw/zinc/36/86/18/530368618.db2.gz XDMIAUHWGSSYJH-UHFFFAOYSA-N 0 3 387.278 0.634 20 0 GCADHN CSC1(CNC(=O)COc2ccc(S(N)(=O)=O)cc2)CCN(C)CC1 ZINC000589651563 530346119 /nfs/dbraw/zinc/34/61/19/530346119.db2.gz WMKOZIFAPHGPPK-UHFFFAOYSA-N 0 3 387.527 0.656 20 0 GCADHN O=S(=O)([N-]CC[NH2+]C[C@H](O)COC1CCOCC1)c1ccc(Cl)s1 ZINC000562995858 530346948 /nfs/dbraw/zinc/34/69/48/530346948.db2.gz GNTZSVTWVXZXBB-NSHDSACASA-N 0 3 398.934 0.826 20 0 GCADHN CC1CCN(CCCNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000279926904 530349620 /nfs/dbraw/zinc/34/96/20/530349620.db2.gz LBDBORMDEXINAS-UHFFFAOYSA-N 0 3 375.516 0.885 20 0 GCADHN Cn1nc(Br)c2c1ncn(CC(=O)NCCN1CCCCC1)c2=O ZINC000171379033 530349824 /nfs/dbraw/zinc/34/98/24/530349824.db2.gz KGTNJSQOCNEDGE-UHFFFAOYSA-N 0 3 397.277 0.495 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)S(C)(=O)=O ZINC000280091851 530350098 /nfs/dbraw/zinc/35/00/98/530350098.db2.gz ORMCHWVWUJAQAD-SKDRFNHKSA-N 0 3 389.271 0.882 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccs1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000366584138 530351555 /nfs/dbraw/zinc/35/15/55/530351555.db2.gz MJDVYWMPBFFWJF-CQSZACIVSA-N 0 3 387.527 0.786 20 0 GCADHN CN(Cc1ccccc1Br)C(=O)CCNC(=O)C(=O)NC1CNC1 ZINC000580294102 530351684 /nfs/dbraw/zinc/35/16/84/530351684.db2.gz VCPGWNPKWYEWEF-UHFFFAOYSA-N 0 3 397.273 0.002 20 0 GCADHN CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000172842781 530352291 /nfs/dbraw/zinc/35/22/91/530352291.db2.gz BWBCIJISUIKYKW-NSHDSACASA-N 0 3 387.278 0.632 20 0 GCADHN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000172842781 530352292 /nfs/dbraw/zinc/35/22/92/530352292.db2.gz BWBCIJISUIKYKW-NSHDSACASA-N 0 3 387.278 0.632 20 0 GCADHN C[C@@H](CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[NH+]1CCCCC1 ZINC000183165869 530373934 /nfs/dbraw/zinc/37/39/34/530373934.db2.gz UZVXCSQKCFTTQN-NSHDSACASA-N 0 3 387.278 0.680 20 0 GCADHN C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)[C@@H](C)CN1 ZINC000582063449 530375278 /nfs/dbraw/zinc/37/52/78/530375278.db2.gz LDBIJGPJQWPGMP-QWRGUYRKSA-N 0 3 390.303 0.936 20 0 GCADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)[C@@H](C)CN1 ZINC000582063448 530375303 /nfs/dbraw/zinc/37/53/03/530375303.db2.gz LDBIJGPJQWPGMP-MNOVXSKESA-N 0 3 390.303 0.936 20 0 GCADHN CN1CCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)[C@H](CN)C1 ZINC000582066149 530375592 /nfs/dbraw/zinc/37/55/92/530375592.db2.gz RGKBXRXKARARTN-CYBMUJFWSA-N 0 3 395.934 0.148 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000185600251 530377589 /nfs/dbraw/zinc/37/75/89/530377589.db2.gz BFHCXHNNQYYFQD-UHFFFAOYSA-N 0 3 376.226 0.957 20 0 GCADHN Cc1csc(NC(=O)CS(=O)(=O)C(C)C(=O)NC[C@H]2CCCO2)n1 ZINC000283730081 530381403 /nfs/dbraw/zinc/38/14/03/530381403.db2.gz CFFLTDPCESTKPH-GHMZBOCLSA-N 0 3 375.472 0.489 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([NH2+]C)C2)cc1F ZINC000497352380 530381917 /nfs/dbraw/zinc/38/19/17/530381917.db2.gz LGRMRFLLRPAPDI-LLVKDONJSA-N 0 3 379.479 0.960 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3cccs3)CC2)CCSC1 ZINC000283955647 530382560 /nfs/dbraw/zinc/38/25/60/530382560.db2.gz GHICHLLADWXOEW-QGZVFWFLSA-N 0 3 382.555 0.950 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)c(C)s1 ZINC000188456486 530383653 /nfs/dbraw/zinc/38/36/53/530383653.db2.gz RZOLTLGVQRJNFO-QWHCGFSZSA-N 0 3 375.491 0.898 20 0 GCADHN COC(=O)[C@H]1CCN(S(=O)(=O)CCCN2CCCC2)[C@H](C(=O)OC)C1 ZINC000601387826 530384346 /nfs/dbraw/zinc/38/43/46/530384346.db2.gz GYMRZMMAWDNYQR-KBPBESRZSA-N 0 3 376.475 0.229 20 0 GCADHN CCN1CCN(CCCCNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC)CC1 ZINC000500783555 530384448 /nfs/dbraw/zinc/38/44/48/530384448.db2.gz VMVLHRLJWVUDDZ-INIZCTEOSA-N 0 3 376.567 0.869 20 0 GCADHN COc1ccc(CS(=O)(=O)C(C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC000498780107 530384787 /nfs/dbraw/zinc/38/47/87/530384787.db2.gz HMMLDWZZFDZVMO-PWSUYJOCSA-N 0 3 393.458 0.441 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000284723787 530386922 /nfs/dbraw/zinc/38/69/22/530386922.db2.gz JQDHGSGGMDKPKQ-UHFFFAOYSA-N 0 3 384.278 0.536 20 0 GCADHN CN(C)CCN1CCC(NC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000284750634 530386964 /nfs/dbraw/zinc/38/69/64/530386964.db2.gz LLHDLWXTMDADBK-UHFFFAOYSA-N 0 3 398.305 0.925 20 0 GCADHN COc1ccc(CNC(=O)C(C)S(=O)(=O)c2nnc(N)s2)cc1OC ZINC000285099493 530389486 /nfs/dbraw/zinc/38/94/86/530389486.db2.gz LVEDGLFYDKFGAS-QMMMGPOBSA-N 0 3 386.455 0.616 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCCN2CCN(C)CC2)ncc1Br ZINC000192859256 530391564 /nfs/dbraw/zinc/39/15/64/530391564.db2.gz LATIPTLOCCVTJZ-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c(Br)n1 ZINC000181383621 530370958 /nfs/dbraw/zinc/37/09/58/530370958.db2.gz IHVIHDPCVGLVPT-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN CSCC[C@H](N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000498044924 530398081 /nfs/dbraw/zinc/39/80/81/530398081.db2.gz KRMQPCSODQXZCN-NSHDSACASA-N 0 3 391.481 0.882 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCn1cc(Br)cn1 ZINC000286641837 530403203 /nfs/dbraw/zinc/40/32/03/530403203.db2.gz DAIIXWRUZNBXFO-CYBMUJFWSA-N 0 3 387.326 0.971 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000286809938 530403999 /nfs/dbraw/zinc/40/39/99/530403999.db2.gz UJDLKRHEQOEJAO-ZIAGYGMSSA-N 0 3 387.527 0.842 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000286930028 530404760 /nfs/dbraw/zinc/40/47/60/530404760.db2.gz JCKWIUPCDBIFAH-LNSITVRQSA-N 0 3 389.905 0.530 20 0 GCADHN C[C@@H](C[NH+](C)C)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000286955519 530405336 /nfs/dbraw/zinc/40/53/36/530405336.db2.gz KWKPHPAQVRSYAS-QMMMGPOBSA-N 0 3 384.321 0.855 20 0 GCADHN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000287063495 530406089 /nfs/dbraw/zinc/40/60/89/530406089.db2.gz JUIPDYUETBWDKN-ZYHUDNBSSA-N 0 3 385.262 0.797 20 0 GCADHN COCCN(CC[NH+](C)C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000591302808 530407215 /nfs/dbraw/zinc/40/72/15/530407215.db2.gz JUGCEKJTGWFLGI-UHFFFAOYSA-N 0 3 383.923 0.716 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1(C)C ZINC000645302849 530408073 /nfs/dbraw/zinc/40/80/73/530408073.db2.gz XZKAEJAIFFOCNQ-GUYCJALGSA-N 0 3 375.535 0.887 20 0 GCADHN Cn1ncc(N2CCN(C(=O)CN3CCCC3)CC2)c(Br)c1=O ZINC000301236166 530411409 /nfs/dbraw/zinc/41/14/09/530411409.db2.gz LTVWYXDEIWHHDT-UHFFFAOYSA-N 0 3 384.278 0.287 20 0 GCADHN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000288225997 530415764 /nfs/dbraw/zinc/41/57/64/530415764.db2.gz DZUNQYHUHBIOSQ-WDEREUQCSA-N 0 3 385.262 0.797 20 0 GCADHN CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000638325569 530416764 /nfs/dbraw/zinc/41/67/64/530416764.db2.gz IEEDHPXYDIIWQK-NHYWBVRUSA-N 0 3 393.868 0.641 20 0 GCADHN CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCC1C[NH2+]C1 ZINC000592540623 530417220 /nfs/dbraw/zinc/41/72/20/530417220.db2.gz CAPMYOCINUXLLU-CYBMUJFWSA-N 0 3 375.491 0.561 20 0 GCADHN CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000592554186 530417544 /nfs/dbraw/zinc/41/75/44/530417544.db2.gz GLRMDFZIKHDDQE-YODMDTAWSA-N 0 3 387.502 0.560 20 0 GCADHN CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)c1Br ZINC000288079930 530414082 /nfs/dbraw/zinc/41/40/82/530414082.db2.gz HCYGBZZJYUDFEP-VIFPVBQESA-N 0 3 385.262 0.814 20 0 GCADHN COC(=O)CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000288732280 530420565 /nfs/dbraw/zinc/42/05/65/530420565.db2.gz LNHKMUYHQAJBCY-GFCCVEGCSA-N 0 3 377.850 0.015 20 0 GCADHN CCN(C(=O)CN[C@@H](CC(=O)OC(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000594038476 530426623 /nfs/dbraw/zinc/42/66/23/530426623.db2.gz AFWBSKVHURRABH-CABCVRRESA-N 0 3 376.519 0.978 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000593922917 530425515 /nfs/dbraw/zinc/42/55/15/530425515.db2.gz QWZJEVGMQGATDX-HNNXBMFYSA-N 0 3 375.535 0.806 20 0 GCADHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000289590395 530426015 /nfs/dbraw/zinc/42/60/15/530426015.db2.gz PRWBCQLNJDJLTK-CYBMUJFWSA-N 0 3 377.532 0.944 20 0 GCADHN CCN(C(=O)CN[C@H](CC(=O)OC(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000594038478 530426373 /nfs/dbraw/zinc/42/63/73/530426373.db2.gz AFWBSKVHURRABH-HUUCEWRRSA-N 0 3 376.519 0.978 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1F ZINC000594529388 530430392 /nfs/dbraw/zinc/43/03/92/530430392.db2.gz CSJWNJIDJONFRA-SNVBAGLBSA-N 0 3 379.841 0.529 20 0 GCADHN CN(CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000290252232 530431360 /nfs/dbraw/zinc/43/13/60/530431360.db2.gz WNJSHANMTRVCOY-UHFFFAOYSA-N 0 3 390.303 0.938 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000290384628 530432630 /nfs/dbraw/zinc/43/26/30/530432630.db2.gz BGQGEIFIYDKFAU-JTQLQIEISA-N 0 3 378.292 0.794 20 0 GCADHN CO[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1Br ZINC000594878408 530442594 /nfs/dbraw/zinc/44/25/94/530442594.db2.gz IBILQZFEHVZTDP-BPNCWPANSA-N 0 3 382.258 0.907 20 0 GCADHN Cc1sc(Br)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875764 530442735 /nfs/dbraw/zinc/44/27/35/530442735.db2.gz YNRUZTRASSVCRT-DTWKUNHWSA-N 0 3 394.316 0.752 20 0 GCADHN CN(C)c1ncc(Br)cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594880554 530442738 /nfs/dbraw/zinc/44/27/38/530442738.db2.gz SHVIOSHFJGIHNZ-JQWIXIFHSA-N 0 3 382.262 0.294 20 0 GCADHN Cc1cc(Br)sc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875908 530442787 /nfs/dbraw/zinc/44/27/87/530442787.db2.gz OOZHQLKEEWTXBK-RKDXNWHRSA-N 0 3 394.316 0.752 20 0 GCADHN Cc1ccc(Br)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594874561 530443204 /nfs/dbraw/zinc/44/32/04/530443204.db2.gz BIXDJMZTQHLAAD-NEPJUHHUSA-N 0 3 388.287 0.690 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000291864970 530443346 /nfs/dbraw/zinc/44/33/46/530443346.db2.gz JFFGYTDIMRZBQI-MRXNPFEDSA-N 0 3 387.527 0.653 20 0 GCADHN CCN1CCN(CCNC(=O)c2c(I)cnn2C)CC1 ZINC000292225878 530445907 /nfs/dbraw/zinc/44/59/07/530445907.db2.gz KIFUFEQBAUGZKB-UHFFFAOYSA-N 0 3 391.257 0.392 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)N[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000296569890 530470703 /nfs/dbraw/zinc/47/07/03/530470703.db2.gz SWBQMDFJHQJNPL-DOMZBBRYSA-N 0 3 375.516 0.629 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NCCNS(=O)(=O)c1cccs1 ZINC000296777398 530471329 /nfs/dbraw/zinc/47/13/29/530471329.db2.gz FBKKYYCPMJTHHV-UHFFFAOYSA-N 0 3 386.503 0.606 20 0 GCADHN CCOC(=O)C[C@@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)C(F)(F)F ZINC000598048050 530461812 /nfs/dbraw/zinc/46/18/12/530461812.db2.gz SEYXMQZBPVQUGT-GXSJLCMTSA-N 0 3 389.392 0.969 20 0 GCADHN COC(=O)c1c(C)c(C)sc1NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000295469379 530463998 /nfs/dbraw/zinc/46/39/98/530463998.db2.gz XWGHLOBPQLIRAH-QMMMGPOBSA-N 0 3 389.455 0.497 20 0 GCADHN CC(C(=O)NCc1cccs1)S(=O)(=O)CCN1C(=O)NC(C)(C)C1=O ZINC000298364498 530480404 /nfs/dbraw/zinc/48/04/04/530480404.db2.gz IJNHFBSCAFFFGA-JTQLQIEISA-N 0 3 387.483 0.498 20 0 GCADHN COc1ccc(C)cc1CS(=O)(=O)C(C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000298397384 530480761 /nfs/dbraw/zinc/48/07/61/530480761.db2.gz VIOATGKVKUVFMJ-JSGCOSHPSA-N 0 3 389.495 0.610 20 0 GCADHN CCN(C)CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605963225 530481950 /nfs/dbraw/zinc/48/19/50/530481950.db2.gz NXFZSMIPILPKIT-UHFFFAOYSA-N 0 3 376.523 0.211 20 0 GCADHN CC(C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000298772483 530483455 /nfs/dbraw/zinc/48/34/55/530483455.db2.gz TYUQLVHRJNXTFO-NSHDSACASA-N 0 3 392.474 0.528 20 0 GCADHN C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CN1CCCC1 ZINC000298832996 530484217 /nfs/dbraw/zinc/48/42/17/530484217.db2.gz XQJDKTJYODBDNK-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CC(C)NCC(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000602586273 530484546 /nfs/dbraw/zinc/48/45/46/530484546.db2.gz OTVDKSKGUZHPQO-UHFFFAOYSA-N 0 3 389.241 0.728 20 0 GCADHN Cn1cc(I)c(C(=O)NCCCN2CCC(O)CC2)n1 ZINC000602925700 530486247 /nfs/dbraw/zinc/48/62/47/530486247.db2.gz LBMBPBUMERNKGX-UHFFFAOYSA-N 0 3 392.241 0.601 20 0 GCADHN Cn1cc(I)c(C(=O)NC[C@H]2CCCN2CCCO)n1 ZINC000603060319 530487267 /nfs/dbraw/zinc/48/72/67/530487267.db2.gz LCVNSHVDIWDNNF-SNVBAGLBSA-N 0 3 392.241 0.601 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCN1C ZINC000408227666 530487403 /nfs/dbraw/zinc/48/74/03/530487403.db2.gz TZIYNAKBURLXBT-STQMWFEESA-N 0 3 386.543 0.965 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCN1C ZINC000408227665 530487452 /nfs/dbraw/zinc/48/74/52/530487452.db2.gz TZIYNAKBURLXBT-QWHCGFSZSA-N 0 3 386.543 0.965 20 0 GCADHN Cc1cc(CS(=O)(=O)C(C)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000299243955 530488376 /nfs/dbraw/zinc/48/83/76/530488376.db2.gz LRPMJXMLVYAIOB-AAEUAGOBSA-N 0 3 379.525 0.972 20 0 GCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000522765008 530488842 /nfs/dbraw/zinc/48/88/42/530488842.db2.gz OLZWKMBUEBLGRI-GJZGRUSLSA-N 0 3 392.591 0.785 20 0 GCADHN CCN(C(=O)NCCCCN1CCN(C)CC1)[C@H](C)CS(=O)(=O)CC ZINC000603525257 530490890 /nfs/dbraw/zinc/49/08/90/530490890.db2.gz GWSNETVOIFKQJL-MRXNPFEDSA-N 0 3 376.567 0.869 20 0 GCADHN NS(=O)(=O)c1cnn(CC(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000299524924 530491059 /nfs/dbraw/zinc/49/10/59/530491059.db2.gz LXEZPTWTGGGQDF-UHFFFAOYSA-N 0 3 387.531 0.008 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000299506926 530491152 /nfs/dbraw/zinc/49/11/52/530491152.db2.gz SDNYFDLWAUPWKE-UHFFFAOYSA-N 0 3 389.499 0.400 20 0 GCADHN COCCN(C)CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000299546780 530491549 /nfs/dbraw/zinc/49/15/49/530491549.db2.gz XVLRJZGLAWEBNJ-CQSZACIVSA-N 0 3 389.543 0.986 20 0 GCADHN CC(C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)S(C)(=O)=O ZINC000299678786 530492885 /nfs/dbraw/zinc/49/28/85/530492885.db2.gz OPVWFNJQFZQTGN-ZDUSSCGKSA-N 0 3 388.511 0.911 20 0 GCADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCCNCCOC)c1OC ZINC000563135359 530495341 /nfs/dbraw/zinc/49/53/41/530495341.db2.gz PVXYQXIHDUXVQP-UHFFFAOYSA-N 0 3 379.866 0.223 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000415717016 530504192 /nfs/dbraw/zinc/50/41/92/530504192.db2.gz CVFGBLBXUPTYRJ-IVZWLZJFSA-N 0 3 390.428 0.221 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(I)cc1 ZINC000415861752 530504804 /nfs/dbraw/zinc/50/48/04/530504804.db2.gz JQRUESSEXRGWNO-NSHDSACASA-N 0 3 389.193 0.334 20 0 GCADHN CN(C)S(=O)(=O)[C@@H]1CN(C(=O)C23CCCN2CCC3)C[C@H]1C(F)(F)F ZINC000367805792 530508808 /nfs/dbraw/zinc/50/88/08/530508808.db2.gz SJBXSRCNUKSLDZ-VXGBXAGGSA-N 0 3 383.436 0.896 20 0 GCADHN CN(C)CC(C)(C)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000416507602 530511400 /nfs/dbraw/zinc/51/14/00/530511400.db2.gz LGVDTZVIVFWLJQ-UHFFFAOYSA-N 0 3 375.516 0.746 20 0 GCADHN C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000638934693 530501981 /nfs/dbraw/zinc/50/19/81/530501981.db2.gz ANVZGJMFZHOQSO-SFYZADRCSA-N 0 3 382.305 0.737 20 0 GCADHN COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)CC1 ZINC000408320889 530502713 /nfs/dbraw/zinc/50/27/13/530502713.db2.gz MMCCLTCJWGACIC-HUUCEWRRSA-N 0 3 391.559 0.628 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000365935979 530514312 /nfs/dbraw/zinc/51/43/12/530514312.db2.gz HFTYZZBHJPWZIE-CABCVRRESA-N 0 3 390.575 0.633 20 0 GCADHN CO[C@H](CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1CCOCC1 ZINC000638942119 530515578 /nfs/dbraw/zinc/51/55/78/530515578.db2.gz SAWXXDWGPSSICX-IAGOWNOFSA-N 0 3 376.519 0.554 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000366194031 530517291 /nfs/dbraw/zinc/51/72/91/530517291.db2.gz XTYNCZXHYNBDDP-GXTWGEPZSA-N 0 3 387.527 0.784 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000366194033 530517410 /nfs/dbraw/zinc/51/74/10/530517410.db2.gz XTYNCZXHYNBDDP-OCCSQVGLSA-N 0 3 387.527 0.784 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000366315636 530518788 /nfs/dbraw/zinc/51/87/88/530518788.db2.gz RUZNNDUAOKREQV-FZMZJTMJSA-N 0 3 391.490 0.960 20 0 GCADHN CCOCC(C)(C)NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000563275355 530519450 /nfs/dbraw/zinc/51/94/50/530519450.db2.gz BIJSTVFZRYOJHP-GJZGRUSLSA-N 0 3 376.519 0.586 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000237753658 530519915 /nfs/dbraw/zinc/51/99/15/530519915.db2.gz VZCQXMKAOFUKJE-DTWKUNHWSA-N 0 3 383.250 0.101 20 0 GCADHN NC1(C(=O)NC[C@H](O)COc2ccc(I)cc2)CC1 ZINC000237799928 530519945 /nfs/dbraw/zinc/51/99/45/530519945.db2.gz KNIKNFVEVNKYFJ-JTQLQIEISA-N 0 3 376.194 0.638 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000408409404 530521226 /nfs/dbraw/zinc/52/12/26/530521226.db2.gz XPJWFAWGGMTMTO-CQSZACIVSA-N 0 3 375.539 0.335 20 0 GCADHN CCO[C@@H]1C[C@](CO)(NC(=O)C(C)S(=O)(=O)C2CCOCC2)C1(C)C ZINC000444566483 530546283 /nfs/dbraw/zinc/54/62/83/530546283.db2.gz FRSRCEPQZALURT-SUYBPPKGSA-N 0 3 377.503 0.651 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)NC3CNC3)C2=O)ccc1Br ZINC000572587084 530547565 /nfs/dbraw/zinc/54/75/65/530547565.db2.gz UWOGLMNDCMOKMO-ZDUSSCGKSA-N 0 3 395.257 0.067 20 0 GCADHN [NH3+]C1(CNC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CCC1 ZINC000567815102 530548630 /nfs/dbraw/zinc/54/86/30/530548630.db2.gz YFKYLZAQNGMZJM-UHFFFAOYSA-N 0 3 382.305 0.787 20 0 GCADHN O=C(CNC1CC1)NC[C@@H](O)COc1ccc(I)cc1 ZINC000567822279 530548802 /nfs/dbraw/zinc/54/88/02/530548802.db2.gz DXFNULOQKHUGLC-GFCCVEGCSA-N 0 3 390.221 0.899 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000534339049 530523754 /nfs/dbraw/zinc/52/37/54/530523754.db2.gz KZDYZABACJFYHK-RBSFLKMASA-N 0 3 375.535 0.856 20 0 GCADHN CN1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](CN)C1 ZINC000567892468 530549985 /nfs/dbraw/zinc/54/99/85/530549985.db2.gz AHDVXKQDHWATFS-JTQLQIEISA-N 0 3 395.312 0.373 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(CC(F)(F)F)cc3)CCN2C1=O ZINC000566497363 530531167 /nfs/dbraw/zinc/53/11/67/530531167.db2.gz ZBAQMZOLIYAEMT-WCQYABFASA-N 0 3 377.388 0.724 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2csnc2C(=O)OC)CC1 ZINC000443244285 530531625 /nfs/dbraw/zinc/53/16/25/530531625.db2.gz GVLYGPCQMJJZNX-GFCCVEGCSA-N 0 3 390.531 0.482 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000443287082 530531804 /nfs/dbraw/zinc/53/18/04/530531804.db2.gz IVQZVXYOCDUTCQ-CYBMUJFWSA-N 0 3 376.500 0.906 20 0 GCADHN CC[C@@H](C)[C@@H](O)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000566679000 530532555 /nfs/dbraw/zinc/53/25/55/530532555.db2.gz MURQVGXMVCTLKI-KGLIPLIRSA-N 0 3 392.543 0.707 20 0 GCADHN CCS(=O)(=O)c1cccc(S(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000443302263 530532664 /nfs/dbraw/zinc/53/26/64/530532664.db2.gz OOSADRBZCJANBN-UHFFFAOYSA-N 0 3 390.527 0.463 20 0 GCADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000443304146 530532837 /nfs/dbraw/zinc/53/28/37/530532837.db2.gz BTFDTXNADPJQAU-UHFFFAOYSA-N 0 3 390.527 0.381 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H](C)C[C@@H]1[C@H](C)O)S(C)(=O)=O ZINC000443332736 530533390 /nfs/dbraw/zinc/53/33/90/530533390.db2.gz YHCKWKCDZIVVFD-OWCLPIDISA-N 0 3 377.551 0.644 20 0 GCADHN C[C@@H]1Cc2cc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc(Cl)c2O1 ZINC000566807465 530534573 /nfs/dbraw/zinc/53/45/73/530534573.db2.gz CBFUTLKXRYSQSG-PUYPPJJSSA-N 0 3 385.873 0.596 20 0 GCADHN C[C@@H]1CN(S(=O)(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)[C@@H](C)CO1 ZINC000443507402 530536131 /nfs/dbraw/zinc/53/61/31/530536131.db2.gz GNHGGQQIPSXHTR-ABFRBSLYSA-N 0 3 375.535 0.698 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCc2ccccc2C1 ZINC000567292678 530540669 /nfs/dbraw/zinc/54/06/69/530540669.db2.gz XNPMNMLDSBGZAC-UHOFOFEASA-N 0 3 385.507 0.651 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCc3cccc(Br)c3)CCN2C1=O ZINC000567293052 530540775 /nfs/dbraw/zinc/54/07/75/530540775.db2.gz IQHAJCUEHXRJEH-KBPBESRZSA-N 0 3 381.274 0.945 20 0 GCADHN CC(C)N(C)CCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000444178814 530543295 /nfs/dbraw/zinc/54/32/95/530543295.db2.gz XZXZPINXFBFOCD-UHFFFAOYSA-N 0 3 375.516 0.746 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCCC1(CO)CC1 ZINC000567501954 530543812 /nfs/dbraw/zinc/54/38/12/530543812.db2.gz PNTXCDSSWNQVNK-UHFFFAOYSA-N 0 3 390.527 0.463 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)cc1C ZINC000568143295 530553942 /nfs/dbraw/zinc/55/39/42/530553942.db2.gz LLMALIJXVPPPJS-CYBMUJFWSA-N 0 3 377.532 0.910 20 0 GCADHN C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCN(C)C ZINC000568222603 530554988 /nfs/dbraw/zinc/55/49/88/530554988.db2.gz VVEPXXHVYXDBTD-JTQLQIEISA-N 0 3 389.283 0.906 20 0 GCADHN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000575003368 530555474 /nfs/dbraw/zinc/55/54/74/530555474.db2.gz LQOXETFPHIDFIL-CMPLNLGQSA-N 0 3 387.845 0.059 20 0 GCADHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1(C)C ZINC000451506479 530583119 /nfs/dbraw/zinc/58/31/19/530583119.db2.gz VTBNRCSRUAZVAE-FVQBIDKESA-N 0 3 377.551 0.812 20 0 GCADHN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568268273 530557748 /nfs/dbraw/zinc/55/77/48/530557748.db2.gz UKNZLHLHNRNYMX-SUHUHFCYSA-N 0 3 382.258 0.987 20 0 GCADHN Cc1cccc(I)c1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568267396 530557933 /nfs/dbraw/zinc/55/79/33/530557933.db2.gz FWSWBDTTXOMAAV-JQWIXIFHSA-N 0 3 399.232 0.984 20 0 GCADHN Cc1cccc(I)c1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568267398 530557950 /nfs/dbraw/zinc/55/79/50/530557950.db2.gz FWSWBDTTXOMAAV-ZYHUDNBSSA-N 0 3 399.232 0.984 20 0 GCADHN Cc1cccc(I)c1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568267395 530557956 /nfs/dbraw/zinc/55/79/56/530557956.db2.gz FWSWBDTTXOMAAV-CMPLNLGQSA-N 0 3 399.232 0.984 20 0 GCADHN NCc1cn([C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)nn1 ZINC000568375279 530558553 /nfs/dbraw/zinc/55/85/53/530558553.db2.gz CLEFGWOPHXBIPR-LLVKDONJSA-N 0 3 379.471 0.767 20 0 GCADHN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000573729501 530583161 /nfs/dbraw/zinc/58/31/61/530583161.db2.gz WAZYEZUFHSMBGR-CYBMUJFWSA-N 0 3 375.878 0.780 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(OC)c1 ZINC000447244852 530559445 /nfs/dbraw/zinc/55/94/45/530559445.db2.gz BMSPPWSIBPMADM-NWDGAFQWSA-N 0 3 391.515 0.815 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1F ZINC000447245180 530559482 /nfs/dbraw/zinc/55/94/82/530559482.db2.gz LNNUVUQQSJTXTI-ZWNOBZJWSA-N 0 3 379.479 0.944 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(OC)c1 ZINC000447244851 530559607 /nfs/dbraw/zinc/55/96/07/530559607.db2.gz BMSPPWSIBPMADM-NEPJUHHUSA-N 0 3 391.515 0.815 20 0 GCADHN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000573729502 530583163 /nfs/dbraw/zinc/58/31/63/530583163.db2.gz WAZYEZUFHSMBGR-ZDUSSCGKSA-N 0 3 375.878 0.780 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000447248153 530560253 /nfs/dbraw/zinc/56/02/53/530560253.db2.gz SSTFWGPFFZNNSD-NWDGAFQWSA-N 0 3 391.515 0.815 20 0 GCADHN CCS(=O)(=O)N1CC(CN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000563786503 530560314 /nfs/dbraw/zinc/56/03/14/530560314.db2.gz JQDHWYJMDNTLGH-INIZCTEOSA-N 0 3 387.527 0.583 20 0 GCADHN CCS(=O)(=O)N1CC(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000563786506 530561049 /nfs/dbraw/zinc/56/10/49/530561049.db2.gz JQDHWYJMDNTLGH-MRXNPFEDSA-N 0 3 387.527 0.583 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N(C)CCN(C)C1CC1 ZINC000568704642 530562580 /nfs/dbraw/zinc/56/25/80/530562580.db2.gz ZFQXXWNOASYTAG-OAHLLOKOSA-N 0 3 375.539 0.383 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC2CNC2)n(-c2cccc(Br)c2)n1 ZINC000568734585 530562797 /nfs/dbraw/zinc/56/27/97/530562797.db2.gz HOFQUFBVSZFBSH-UHFFFAOYSA-N 0 3 378.230 0.970 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000447779360 530563103 /nfs/dbraw/zinc/56/31/03/530563103.db2.gz SPMFVSVEZFZHEX-ZMSDIMECSA-N 0 3 375.535 0.479 20 0 GCADHN CN(C)[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1CCCCC1 ZINC000447781850 530563109 /nfs/dbraw/zinc/56/31/09/530563109.db2.gz WBYAHTQIUWQMDX-HNNXBMFYSA-N 0 3 383.580 0.698 20 0 GCADHN Cc1nn(C)c(CNc2cnn(CC(=O)NCCN(C)C)c2)c1Br ZINC000447892305 530564391 /nfs/dbraw/zinc/56/43/91/530564391.db2.gz GTRVIWOBPCCTDM-UHFFFAOYSA-N 0 3 398.309 0.977 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3cc4c(c(Br)c3)OCO4)CCN2C1=O ZINC000568901720 530564444 /nfs/dbraw/zinc/56/44/44/530564444.db2.gz GYSQRJJXKMNUPF-GXSJLCMTSA-N 0 3 382.214 0.562 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCc3nc(C(F)(F)F)cs3)CCN2C1=O ZINC000569003380 530565588 /nfs/dbraw/zinc/56/55/88/530565588.db2.gz NEBDVEMILZOKMF-IUCAKERBSA-N 0 3 377.392 0.658 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)CCN2C1=O ZINC000569003012 530565883 /nfs/dbraw/zinc/56/58/83/530565883.db2.gz LOIIXRCQYGSQJH-MWLCHTKSSA-N 0 3 399.220 0.297 20 0 GCADHN COC(=O)COC[C@@H](C)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000449308613 530566859 /nfs/dbraw/zinc/56/68/59/530566859.db2.gz YMAOFRLGNVFOTC-SNVBAGLBSA-N 0 3 382.841 0.925 20 0 GCADHN CC(C(=O)N1CCC(C)CC1)S(=O)(=O)Cc1nnnn1CC(F)(F)F ZINC000190808297 530567265 /nfs/dbraw/zinc/56/72/65/530567265.db2.gz XAAQTLUYNVXZCD-SNVBAGLBSA-N 0 3 383.396 0.797 20 0 GCADHN CC(C(=O)N1CCCCCC1)S(=O)(=O)Cc1nnnn1CC(F)(F)F ZINC000190809848 530567563 /nfs/dbraw/zinc/56/75/63/530567563.db2.gz INISVLMSRRFAQV-JTQLQIEISA-N 0 3 383.396 0.941 20 0 GCADHN CCN1CCC(CNS(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)CC1 ZINC000569182128 530567911 /nfs/dbraw/zinc/56/79/11/530567911.db2.gz LMJUFIQWYJNSEN-UHFFFAOYSA-N 0 3 389.543 0.913 20 0 GCADHN CS[C@H]1CN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)C[C@@H]1N(C)C ZINC000450267411 530568799 /nfs/dbraw/zinc/56/87/99/530568799.db2.gz WWIGIBHFEHSSMP-JQWIXIFHSA-N 0 3 382.511 0.416 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3c(F)cccc3Br)CCN2C1=O ZINC000569259681 530569721 /nfs/dbraw/zinc/56/97/21/530569721.db2.gz IPOXOXDEBGLLKA-KCJUWKMLSA-N 0 3 399.220 0.297 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H]1CCSC1 ZINC000572834280 530571529 /nfs/dbraw/zinc/57/15/29/530571529.db2.gz BKETUGOOWBSKPZ-GFCCVEGCSA-N 0 3 378.541 0.806 20 0 GCADHN Cc1nc(N2CCC(C)(CN3CCN(C)CC3)CC2)sc1S(N)(=O)=O ZINC000366910414 530571848 /nfs/dbraw/zinc/57/18/48/530571848.db2.gz SQMDCJKZYKZPKS-UHFFFAOYSA-N 0 3 387.575 0.953 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CC)[C@H](C)CS(C)(=O)=O ZINC000451190630 530574493 /nfs/dbraw/zinc/57/44/93/530574493.db2.gz YBFANNIXMWSRCU-ZJUUUORDSA-N 0 3 397.437 0.955 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000451191771 530574533 /nfs/dbraw/zinc/57/45/33/530574533.db2.gz NNXPPFQNXYMUON-OPRDCNLKSA-N 0 3 397.437 0.954 20 0 GCADHN CCOCCN1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)CC1 ZINC000451192064 530574861 /nfs/dbraw/zinc/57/48/61/530574861.db2.gz KAXOKHOPJWACCH-LBPRGKRZSA-N 0 3 390.424 0.854 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CC)[C@@H](C)CS(C)(=O)=O ZINC000451190626 530575071 /nfs/dbraw/zinc/57/50/71/530575071.db2.gz YBFANNIXMWSRCU-UWVGGRQHSA-N 0 3 397.437 0.955 20 0 GCADHN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)CCN(C)C1CCN(C)CC1 ZINC000327771817 530578872 /nfs/dbraw/zinc/57/88/72/530578872.db2.gz LSYDXCHIEBBZMW-CVEARBPZSA-N 0 3 375.535 0.616 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCSC[C@H]1C(N)=O ZINC000451375778 530579048 /nfs/dbraw/zinc/57/90/48/530579048.db2.gz LAQUCWOLFGJAAF-JGVFFNPUSA-N 0 3 378.394 0.103 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000573430643 530579454 /nfs/dbraw/zinc/57/94/54/530579454.db2.gz NYTWCKXMRGFJPA-UHFFFAOYSA-N 0 3 381.274 0.181 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](OCCOC)C1 ZINC000451430932 530580397 /nfs/dbraw/zinc/58/03/97/530580397.db2.gz JLSMUGJJJDJWJA-GHMZBOCLSA-N 0 3 377.381 0.938 20 0 GCADHN Cc1cc(S(=O)(=O)NCCNC[C@H](O)COC2CCOCC2)c(C)s1 ZINC000583560170 530581162 /nfs/dbraw/zinc/58/11/62/530581162.db2.gz XWMJFUJBCLLGJE-AWEZNQCLSA-N 0 3 392.543 0.789 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC000451459297 530581668 /nfs/dbraw/zinc/58/16/68/530581668.db2.gz NNXKSBAZLPVQOT-MNOVXSKESA-N 0 3 386.392 0.897 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3csc(I)c3)CCN2C1=O ZINC000583575791 530582185 /nfs/dbraw/zinc/58/21/85/530582185.db2.gz SNHRACGNTFBZGQ-DTWKUNHWSA-N 0 3 391.234 0.737 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000518948583 530582266 /nfs/dbraw/zinc/58/22/66/530582266.db2.gz SGOSVSWZKSKLKR-HNNXBMFYSA-N 0 3 394.607 0.143 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000518945870 530582297 /nfs/dbraw/zinc/58/22/97/530582297.db2.gz BTDVBJLNFXAXBZ-UHFFFAOYSA-N 0 3 385.251 0.366 20 0 GCADHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1(C)C ZINC000451506482 530582538 /nfs/dbraw/zinc/58/25/38/530582538.db2.gz VTBNRCSRUAZVAE-NUEKZKHPSA-N 0 3 377.551 0.812 20 0 GCADHN N[C@H]1C[C@@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)CCN2C1=O ZINC000574339858 530590383 /nfs/dbraw/zinc/59/03/83/530590383.db2.gz ORVBTAXRFBOAHN-PWSUYJOCSA-N 0 3 397.302 0.899 20 0 GCADHN N[C@H]1C[C@H]2CN(c3ncc(Cn4cc(Br)cn4)s3)CCN2C1=O ZINC000574339855 530590641 /nfs/dbraw/zinc/59/06/41/530590641.db2.gz ORVBTAXRFBOAHN-JQWIXIFHSA-N 0 3 397.302 0.899 20 0 GCADHN CS(=O)(=O)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1Cl ZINC000519426552 530594520 /nfs/dbraw/zinc/59/45/20/530594520.db2.gz MANZOUSRJTULSS-PWSUYJOCSA-N 0 3 386.861 0.519 20 0 GCADHN O=C(C[C@@H]1CNCCO1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000575060569 530596610 /nfs/dbraw/zinc/59/66/10/530596610.db2.gz DCDWIILTHRJRHL-UKRRQHHQSA-N 0 3 382.258 0.827 20 0 GCADHN CO[C@H]1C[C@H](NCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000629616182 530596700 /nfs/dbraw/zinc/59/67/00/530596700.db2.gz WVTXJZNIPZCGPN-JOCQHMNTSA-N 0 3 376.500 0.478 20 0 GCADHN CN(CC[NH3+])C(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000519606856 530598036 /nfs/dbraw/zinc/59/80/36/530598036.db2.gz KJOMZSWEBKBUTP-UHFFFAOYSA-N 0 3 384.683 0.798 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cc(F)ccc3OC(F)F)CCN2C1=O ZINC000580572342 530615245 /nfs/dbraw/zinc/61/52/45/530615245.db2.gz SXHGKFDEMAPAIM-VHSXEESVSA-N 0 3 379.360 0.360 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000575244247 530598918 /nfs/dbraw/zinc/59/89/18/530598918.db2.gz SBUWXRIEQSXHDN-WCFLWFBJSA-N 0 3 383.499 0.102 20 0 GCADHN CCN1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000575364165 530599726 /nfs/dbraw/zinc/59/97/26/530599726.db2.gz USOIZBUOOLDAHU-UHFFFAOYSA-N 0 3 389.543 0.947 20 0 GCADHN C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)[C@@H](C)CN1 ZINC000519813132 530601001 /nfs/dbraw/zinc/60/10/01/530601001.db2.gz GWNWBNLAVQDLMN-QWRGUYRKSA-N 0 3 376.429 0.635 20 0 GCADHN COC(C)(C)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000519819976 530601492 /nfs/dbraw/zinc/60/14/92/530601492.db2.gz OIOSXHQKGCAHEA-UHFFFAOYSA-N 0 3 378.516 0.725 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452357732 530603435 /nfs/dbraw/zinc/60/34/35/530603435.db2.gz FILYUTPVKWWTTE-OLZOCXBDSA-N 0 3 375.516 0.378 20 0 GCADHN COCCCN(C)CCNC(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000608628314 530604019 /nfs/dbraw/zinc/60/40/19/530604019.db2.gz GMKFEMXWEZKLTN-UHFFFAOYSA-N 0 3 378.539 0.506 20 0 GCADHN CSC1(CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CCN(C)CC1 ZINC000576076994 530605036 /nfs/dbraw/zinc/60/50/36/530605036.db2.gz ZXNYDOOZLXJKMF-UHFFFAOYSA-N 0 3 393.556 0.591 20 0 GCADHN [NH3+]C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCCO1 ZINC000669541265 530605425 /nfs/dbraw/zinc/60/54/25/530605425.db2.gz AQGNJNMUTNFZEV-SNVBAGLBSA-N 0 3 396.922 0.439 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN1CCCO ZINC000452787407 530606522 /nfs/dbraw/zinc/60/65/22/530606522.db2.gz ZTFRCUHIDDUPTL-HZPDHXFCSA-N 0 3 375.535 0.544 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)COc3ccc(F)cc3Br)CCN2C1=O ZINC000576292225 530606970 /nfs/dbraw/zinc/60/69/70/530606970.db2.gz HRDJYAHWSSVHDU-CMPLNLGQSA-N 0 3 386.221 0.737 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000576361974 530607629 /nfs/dbraw/zinc/60/76/29/530607629.db2.gz UGURQZOUTCVAAW-MWLCHTKSSA-N 0 3 381.351 0.777 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(C)CCN(C)C)ncc1I ZINC000453692338 530608076 /nfs/dbraw/zinc/60/80/76/530608076.db2.gz IMCGIFKBAGXKOU-UHFFFAOYSA-N 0 3 390.225 0.953 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)sc1Br ZINC000576480228 530609085 /nfs/dbraw/zinc/60/90/85/530609085.db2.gz LEBRFCBNERSOFP-DTWKUNHWSA-N 0 3 394.316 0.752 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000576769427 530612267 /nfs/dbraw/zinc/61/22/67/530612267.db2.gz QOZANBMCGLJJQA-ONGXEEELSA-N 0 3 399.220 0.297 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000266239526 530612486 /nfs/dbraw/zinc/61/24/86/530612486.db2.gz VWMHALBEGXVOLI-IUODEOHRSA-N 0 3 375.516 0.555 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc(I)cc3)CCN2C1=O ZINC000576836702 530612578 /nfs/dbraw/zinc/61/25/78/530612578.db2.gz AABNOZCXXGLDKO-NWDGAFQWSA-N 0 3 385.205 0.675 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)CCN2C1=O ZINC000576957492 530614346 /nfs/dbraw/zinc/61/43/46/530614346.db2.gz ODIYEZLCKDIJKN-KOLCDFICSA-N 0 3 392.250 0.521 20 0 GCADHN Cc1ncsc1CCS(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000576943915 530614404 /nfs/dbraw/zinc/61/44/04/530614404.db2.gz MOXRKJXUNBOAMP-LBPRGKRZSA-N 0 3 386.465 0.750 20 0 GCADHN Cc1c(Br)cccc1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000520609834 530614453 /nfs/dbraw/zinc/61/44/53/530614453.db2.gz MLTGDGQPCRJAPE-CYBMUJFWSA-N 0 3 383.290 0.475 20 0 GCADHN CN1CCN(CCNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1(C)C ZINC000573861534 530584547 /nfs/dbraw/zinc/58/45/47/530584547.db2.gz LOTRESYMNYSILJ-UHFFFAOYSA-N 0 3 388.921 0.743 20 0 GCADHN CC(C)[C@@H](CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1)N1CCC(C)CC1 ZINC000535787756 530585174 /nfs/dbraw/zinc/58/51/74/530585174.db2.gz DEJXGCJZYHXAIM-HZPDHXFCSA-N 0 3 375.535 0.856 20 0 GCADHN CC(C)[C@@H](CNC(=O)NC[C@H]1CS(=O)(=O)CCO1)N1CCCCCC1 ZINC000535797999 530585480 /nfs/dbraw/zinc/58/54/80/530585480.db2.gz NCRFOCLAQNJIGB-JKSUJKDBSA-N 0 3 375.535 1.000 20 0 GCADHN Cc1ccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(Br)c1 ZINC000574053497 530586136 /nfs/dbraw/zinc/58/61/36/530586136.db2.gz DEZBBMXBFKUIGR-DGCLKSJQSA-N 0 3 381.274 0.940 20 0 GCADHN Cc1ccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(Br)c1 ZINC000574053501 530586147 /nfs/dbraw/zinc/58/61/47/530586147.db2.gz DEZBBMXBFKUIGR-YPMHNXCESA-N 0 3 381.274 0.940 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(Cl)c1 ZINC000574055162 530586284 /nfs/dbraw/zinc/58/62/84/530586284.db2.gz SFBKXJPPTZMMDV-CMPLNLGQSA-N 0 3 387.845 0.059 20 0 GCADHN N[C@@H]1C[C@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769721 530624438 /nfs/dbraw/zinc/62/44/38/530624438.db2.gz UMSFBTGMQLEZGJ-RRFJBIMHSA-N 0 3 393.285 0.798 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@@H](C)O1 ZINC000577842865 530625219 /nfs/dbraw/zinc/62/52/19/530625219.db2.gz JRGKBEJQBDLZDV-KLHDSHLOSA-N 0 3 375.535 0.003 20 0 GCADHN CN(CC1CCN(C)CC1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330061709 530625403 /nfs/dbraw/zinc/62/54/03/530625403.db2.gz ONYUXAVXQAPTOJ-UHFFFAOYSA-N 0 3 381.564 0.261 20 0 GCADHN CC(C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000330063926 530625591 /nfs/dbraw/zinc/62/55/91/530625591.db2.gz QMJYIPJYGCJGCJ-GUYCJALGSA-N 0 3 375.487 0.765 20 0 GCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330063994 530625691 /nfs/dbraw/zinc/62/56/91/530625691.db2.gz BXJGHAONIAYONT-HIFRSBDPSA-N 0 3 381.564 0.260 20 0 GCADHN C[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)N1CCC[C@H](C)C1 ZINC000330088044 530626358 /nfs/dbraw/zinc/62/63/58/530626358.db2.gz NSLFTDIOTNDCID-GJZGRUSLSA-N 0 3 395.591 0.698 20 0 GCADHN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330170361 530628307 /nfs/dbraw/zinc/62/83/07/530628307.db2.gz XBSQDRVLIXKNLF-GXTWGEPZSA-N 0 3 392.543 0.737 20 0 GCADHN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330170362 530628725 /nfs/dbraw/zinc/62/87/25/530628725.db2.gz XBSQDRVLIXKNLF-JSGCOSHPSA-N 0 3 392.543 0.737 20 0 GCADHN O=C(Cc1cc2c(cc1Br)OCCO2)NCCN1CC[C@H](O)C1 ZINC000629911375 530630357 /nfs/dbraw/zinc/63/03/57/530630357.db2.gz UUIMCFSHSRKKKU-LBPRGKRZSA-N 0 3 385.258 0.946 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000458482361 530631835 /nfs/dbraw/zinc/63/18/35/530631835.db2.gz CGQGCPAEFNYOIO-CQSZACIVSA-N 0 3 378.539 0.503 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458721045 530633084 /nfs/dbraw/zinc/63/30/84/530633084.db2.gz XJZZXZVIAPGMSG-UHFFFAOYSA-N 0 3 391.563 0.654 20 0 GCADHN CCN(CCO)CCNC(=O)NCCn1cc(Br)ccc1=O ZINC000458914747 530634418 /nfs/dbraw/zinc/63/44/18/530634418.db2.gz HLHWKJXIIODNNN-UHFFFAOYSA-N 0 3 375.267 0.224 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@]12CCOC2 ZINC000331589157 530634627 /nfs/dbraw/zinc/63/46/27/530634627.db2.gz IRSPLCHUPJHXKU-ZYHUDNBSSA-N 0 3 375.365 0.692 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[S@@](=O)C[C@H](C)C1 ZINC000331829550 530636856 /nfs/dbraw/zinc/63/68/56/530636856.db2.gz DGNDQTKRURUJJG-VUHZHCFISA-N 0 3 379.422 0.901 20 0 GCADHN CCO[C@@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)[C@@H]1SC ZINC000459488187 530637407 /nfs/dbraw/zinc/63/74/07/530637407.db2.gz YZXLFGCSFUCDJP-AXFHLTTASA-N 0 3 381.545 0.934 20 0 GCADHN CN1CC[C@](O)(CNC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000460253931 530641123 /nfs/dbraw/zinc/64/11/23/530641123.db2.gz CODGXLZSKFGJDO-INIZCTEOSA-N 0 3 399.289 0.545 20 0 GCADHN CN(CCC(=O)N1CCNCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000580646128 530616629 /nfs/dbraw/zinc/61/66/29/530616629.db2.gz CDTHQIBXEGEHNH-HNNXBMFYSA-N 0 3 383.290 0.729 20 0 GCADHN CC(C)C[C@@H](CNC(=O)C1(S(C)(=O)=O)CCNCC1)N1CCOCC1 ZINC000584352832 530619985 /nfs/dbraw/zinc/61/99/85/530619985.db2.gz BZQAPSDWZXOSPQ-HNNXBMFYSA-N 0 3 375.535 0.016 20 0 GCADHN CS[C@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@@H]1N1CCCC1 ZINC000329819928 530621263 /nfs/dbraw/zinc/62/12/63/530621263.db2.gz GRMVAQDJTLULHW-GJZGRUSLSA-N 0 3 375.560 0.696 20 0 GCADHN CCOC(=O)C[C@H](C)S(=O)(=O)C(C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000577513023 530621962 /nfs/dbraw/zinc/62/19/62/530621962.db2.gz JUOFSMTYBMTFJC-AVGNSLFASA-N 0 3 397.515 0.167 20 0 GCADHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000468429581 530680513 /nfs/dbraw/zinc/68/05/13/530680513.db2.gz QGMCZAUGCSAHML-GJZGRUSLSA-N 0 3 383.580 0.555 20 0 GCADHN Cn1ncc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(Br)c1=O ZINC000301985764 530681262 /nfs/dbraw/zinc/68/12/62/530681262.db2.gz ZAVLETQCBVBIRA-NSHDSACASA-N 0 3 384.278 0.461 20 0 GCADHN CC[C@H](C)[C@H](NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000468755581 530682132 /nfs/dbraw/zinc/68/21/32/530682132.db2.gz AEGWTJBGUZNUBI-WFASDCNBSA-N 0 3 377.507 0.046 20 0 GCADHN CC[C@@H](C)[C@@H](NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000468755435 530682463 /nfs/dbraw/zinc/68/24/63/530682463.db2.gz AEGWTJBGUZNUBI-IUODEOHRSA-N 0 3 377.507 0.046 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000332357477 530645307 /nfs/dbraw/zinc/64/53/07/530645307.db2.gz WSNPTHVWCNCSDU-INIZCTEOSA-N 0 3 375.535 0.761 20 0 GCADHN COC(=O)C1(CS(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)CCC1 ZINC000462068331 530647749 /nfs/dbraw/zinc/64/77/49/530647749.db2.gz SHNJENCBTOHMQI-UHFFFAOYSA-N 0 3 375.535 0.617 20 0 GCADHN CS(=O)(=O)N1CCC(CS(=O)(=O)NCCCN2CCCCC2)CC1 ZINC000332587120 530649237 /nfs/dbraw/zinc/64/92/37/530649237.db2.gz CMDSNUAWOOWWMN-UHFFFAOYSA-N 0 3 381.564 0.453 20 0 GCADHN CC1CCN(C[C@@H](O)CNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000332628029 530650280 /nfs/dbraw/zinc/65/02/80/530650280.db2.gz QDEYFWJKIFQACK-AWEZNQCLSA-N 0 3 386.290 0.820 20 0 GCADHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C ZINC000349481762 530650277 /nfs/dbraw/zinc/65/02/77/530650277.db2.gz PBBVJNMWJHFJHP-CABCVRRESA-N 0 3 395.591 0.983 20 0 GCADHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C ZINC000349481764 530650352 /nfs/dbraw/zinc/65/03/52/530650352.db2.gz PBBVJNMWJHFJHP-GJZGRUSLSA-N 0 3 395.591 0.983 20 0 GCADHN NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1 ZINC000462571671 530651952 /nfs/dbraw/zinc/65/19/52/530651952.db2.gz LVHKYTKLLYWFIZ-CQSZACIVSA-N 0 3 387.527 0.877 20 0 GCADHN N[C@@H](CC(F)F)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000498205887 530652480 /nfs/dbraw/zinc/65/24/80/530652480.db2.gz XPMKDNWTUDNIAL-NSHDSACASA-N 0 3 383.367 0.780 20 0 GCADHN O=C1NC(=O)[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]12 ZINC000333030085 530654239 /nfs/dbraw/zinc/65/42/39/530654239.db2.gz BPNHDRLQQNWUAM-XQQFMLRXSA-N 0 3 378.226 0.759 20 0 GCADHN CC(C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000333015644 530654251 /nfs/dbraw/zinc/65/42/51/530654251.db2.gz CAIJVECNIDIDCG-KGLIPLIRSA-N 0 3 376.519 0.272 20 0 GCADHN CC(C)N1CC[C@@H](N(C)S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C1 ZINC000349490186 530654367 /nfs/dbraw/zinc/65/43/67/530654367.db2.gz GLHUNWKKGYAKNY-CQSZACIVSA-N 0 3 393.535 0.286 20 0 GCADHN CC(C)N1CC[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)C1 ZINC000349490185 530654457 /nfs/dbraw/zinc/65/44/57/530654457.db2.gz GLHUNWKKGYAKNY-AWEZNQCLSA-N 0 3 393.535 0.286 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CCSC1 ZINC000333099727 530654658 /nfs/dbraw/zinc/65/46/58/530654658.db2.gz COAIRZJAGXDRCA-GDBMZVCRSA-N 0 3 390.575 0.633 20 0 GCADHN CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3CNCCO3)s2)CC1 ZINC000333253247 530656599 /nfs/dbraw/zinc/65/65/99/530656599.db2.gz HFCPAHQFIALVMD-ZDUSSCGKSA-N 0 3 387.527 0.887 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000333270433 530656989 /nfs/dbraw/zinc/65/69/89/530656989.db2.gz CJDQMUUJWFYRLF-ZIAGYGMSSA-N 0 3 379.473 0.990 20 0 GCADHN O=S(=O)(CCCN1CCOCC1)NCC1(N2CCCC2)CCOCC1 ZINC000463423359 530658469 /nfs/dbraw/zinc/65/84/69/530658469.db2.gz DYAJFUKLBUMIQV-UHFFFAOYSA-N 0 3 375.535 0.273 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)[C@H]1CCCN1C1CCCC1 ZINC000333446289 530658947 /nfs/dbraw/zinc/65/89/47/530658947.db2.gz MUHLUAYAUXUAMP-OAHLLOKOSA-N 0 3 375.560 0.888 20 0 GCADHN CC(C(=O)N1CCN(CC(C)(C)O)C[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000333503908 530660030 /nfs/dbraw/zinc/66/00/30/530660030.db2.gz OGQQKLKIXGULOK-ZIAGYGMSSA-N 0 3 376.519 0.272 20 0 GCADHN CN1CCC(CNS(=O)(=O)c2cncc(Cl)c2)(N2CCOCC2)CC1 ZINC000333927133 530664530 /nfs/dbraw/zinc/66/45/30/530664530.db2.gz WDNUWCPJXKCIPV-UHFFFAOYSA-N 0 3 388.921 0.810 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000532343120 530667192 /nfs/dbraw/zinc/66/71/92/530667192.db2.gz YLSXQGLJEAERLQ-CYBMUJFWSA-N 0 3 386.543 0.636 20 0 GCADHN CN1CCC[C@@H](CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000532419756 530668275 /nfs/dbraw/zinc/66/82/75/530668275.db2.gz XFYPSEUZTGSHBV-AWEZNQCLSA-N 0 3 375.516 0.226 20 0 GCADHN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000532469964 530668872 /nfs/dbraw/zinc/66/88/72/530668872.db2.gz FSYMQJJGOSCLDZ-OCCSQVGLSA-N 0 3 392.543 0.739 20 0 GCADHN CCC[C@H](C)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000064357133 530668889 /nfs/dbraw/zinc/66/88/89/530668889.db2.gz ZPBATFIORSQLHQ-QWRGUYRKSA-N 0 3 376.504 0.842 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000067624277 530672798 /nfs/dbraw/zinc/67/27/98/530672798.db2.gz UHJGFDBRFYUWBR-HNNXBMFYSA-N 0 3 378.539 0.050 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000067624281 530673200 /nfs/dbraw/zinc/67/32/00/530673200.db2.gz UHJGFDBRFYUWBR-OAHLLOKOSA-N 0 3 378.539 0.050 20 0 GCADHN CCOC(=O)[C@H]1CSCCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000532873887 530674875 /nfs/dbraw/zinc/67/48/75/530674875.db2.gz WTOSXVBKTVEOLY-WCQYABFASA-N 0 3 379.500 0.476 20 0 GCADHN Cc1nc(SCCC(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)n[nH]1 ZINC000467643474 530675865 /nfs/dbraw/zinc/67/58/65/530675865.db2.gz JUVCSRVVYTZXHE-ZDUSSCGKSA-N 0 3 389.547 0.563 20 0 GCADHN Cc1nnc(SCCC(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000467643474 530675869 /nfs/dbraw/zinc/67/58/69/530675869.db2.gz JUVCSRVVYTZXHE-ZDUSSCGKSA-N 0 3 389.547 0.563 20 0 GCADHN CCCCN(C(=O)CN1CC[C@H](OC)C[C@H]1CN)[C@H]1CCS(=O)(=O)C1 ZINC000563958140 530686830 /nfs/dbraw/zinc/68/68/30/530686830.db2.gz NJGGOBXCQDZBQQ-JYJNAYRXSA-N 0 3 375.535 0.240 20 0 GCADHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000582241133 530687849 /nfs/dbraw/zinc/68/78/49/530687849.db2.gz CWVCPAFNANCJQD-CYBMUJFWSA-N 0 3 375.516 0.877 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NCC1C[NH2+]C1 ZINC000648105976 530687978 /nfs/dbraw/zinc/68/79/78/530687978.db2.gz WDGRVSJQHFCSTH-UHFFFAOYSA-N 0 3 385.795 0.973 20 0 GCADHN CC(C(=O)NCCCN1CCCO[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000470105325 530693039 /nfs/dbraw/zinc/69/30/39/530693039.db2.gz OGBUGYSQNDZSJN-CABCVRRESA-N 0 3 376.519 0.586 20 0 GCADHN CC(C(=O)NCCCN1CCCO[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000470105330 530693130 /nfs/dbraw/zinc/69/31/30/530693130.db2.gz OGBUGYSQNDZSJN-LSDHHAIUSA-N 0 3 376.519 0.586 20 0 GCADHN O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@@H]1C[C@H](F)CN1 ZINC000368199678 530720526 /nfs/dbraw/zinc/72/05/26/530720526.db2.gz GNJZWDJGDQCKSB-QWRGUYRKSA-N 0 3 386.221 0.991 20 0 GCADHN C[NH+](C)CCOCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000471656320 530700738 /nfs/dbraw/zinc/70/07/38/530700738.db2.gz BLFJYZTWAALHLU-UHFFFAOYSA-N 0 3 398.938 0.557 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)s1 ZINC000360975829 530702084 /nfs/dbraw/zinc/70/20/84/530702084.db2.gz CMWZUDZVSZKESE-RYUDHWBXSA-N 0 3 388.515 0.319 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472087188 530702351 /nfs/dbraw/zinc/70/23/51/530702351.db2.gz FZFCFTDJYYPLHX-GJZGRUSLSA-N 0 3 394.607 0.190 20 0 GCADHN O=C(CNC(=O)[C@@H]1CN2CCN1CCC2)Nc1ccc(Br)cc1 ZINC000362075037 530705097 /nfs/dbraw/zinc/70/50/97/530705097.db2.gz CAWLADGYNUUZNE-AWEZNQCLSA-N 0 3 381.274 0.894 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000473539923 530712020 /nfs/dbraw/zinc/71/20/20/530712020.db2.gz LQWGYBYEIDHFLB-HZPDHXFCSA-N 0 3 375.535 0.758 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000473552794 530712300 /nfs/dbraw/zinc/71/23/00/530712300.db2.gz QYQBNUBXVDAPFT-INIZCTEOSA-N 0 3 375.535 0.760 20 0 GCADHN Cc1ccncc1NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000349597978 530712646 /nfs/dbraw/zinc/71/26/46/530712646.db2.gz DDXLDSIHVPEZBH-AWEZNQCLSA-N 0 3 390.531 0.393 20 0 GCADHN CN(C)CCOCCNC(=O)Nc1ccncc1I ZINC000473769842 530712811 /nfs/dbraw/zinc/71/28/11/530712811.db2.gz PIPFGJPRIDJQRN-UHFFFAOYSA-N 0 3 378.214 0.808 20 0 GCADHN Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)nc1 ZINC000349599772 530714011 /nfs/dbraw/zinc/71/40/11/530714011.db2.gz HEXDRJRCXUBSCQ-AWEZNQCLSA-N 0 3 390.531 0.393 20 0 GCADHN Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)nc1 ZINC000349599772 530714013 /nfs/dbraw/zinc/71/40/13/530714013.db2.gz HEXDRJRCXUBSCQ-AWEZNQCLSA-N 0 3 390.531 0.393 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000367608885 530714305 /nfs/dbraw/zinc/71/43/05/530714305.db2.gz TZRQICHTOIUQLX-LLVKDONJSA-N 0 3 392.934 0.186 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccnc1Br ZINC000367670998 530714971 /nfs/dbraw/zinc/71/49/71/530714971.db2.gz IQWDIPOIAZTRDU-WDEREUQCSA-N 0 3 383.246 0.762 20 0 GCADHN Cc1cncc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCN(C)C2)c1 ZINC000349609233 530718711 /nfs/dbraw/zinc/71/87/11/530718711.db2.gz ZYSRSEGKZJWKAY-CQSZACIVSA-N 0 3 390.531 0.393 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000369848172 530736403 /nfs/dbraw/zinc/73/64/03/530736403.db2.gz SGDOZNYBHDKQQJ-LLVKDONJSA-N 0 3 392.547 0.592 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000578983182 530737479 /nfs/dbraw/zinc/73/74/79/530737479.db2.gz KNDKMYOQHDUTSW-UHFFFAOYSA-N 0 3 399.264 0.320 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3sccc3Br)CCN2C1=O ZINC000579130935 530738507 /nfs/dbraw/zinc/73/85/07/530738507.db2.gz WBBGOFTVFXCVHH-VXNVDRBHSA-N 0 3 380.289 0.443 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3sccc3Br)CCN2C1=O ZINC000579130933 530738607 /nfs/dbraw/zinc/73/86/07/530738607.db2.gz WBBGOFTVFXCVHH-CBAPKCEASA-N 0 3 380.289 0.443 20 0 GCADHN CN(CCc1cccc(Br)c1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000579099930 530738625 /nfs/dbraw/zinc/73/86/25/530738625.db2.gz ONKHCRDUAHQDKR-OAHLLOKOSA-N 0 3 397.317 0.551 20 0 GCADHN C[C@@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)N(C)C1CC1 ZINC000477050102 530739957 /nfs/dbraw/zinc/73/99/57/530739957.db2.gz ULYMUUMZLJYNKG-ZFWWWQNUSA-N 0 3 376.523 0.257 20 0 GCADHN CN1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](CN)C1 ZINC000579350932 530741429 /nfs/dbraw/zinc/74/14/29/530741429.db2.gz ABEWDJDCIUINMO-GJZGRUSLSA-N 0 3 395.301 0.903 20 0 GCADHN CCCN(CC)C[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000579411891 530742341 /nfs/dbraw/zinc/74/23/41/530742341.db2.gz CAUAFCMSSPECSB-ZDUSSCGKSA-N 0 3 377.532 0.993 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000477465032 530743674 /nfs/dbraw/zinc/74/36/74/530743674.db2.gz SOYGCRWXAHQUGA-AWEZNQCLSA-N 0 3 375.516 0.308 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C)C[C@@H]2C1 ZINC000349626503 530723897 /nfs/dbraw/zinc/72/38/97/530723897.db2.gz VXGRFRFNNVGPDG-OKILXGFUSA-N 0 3 381.564 0.308 20 0 GCADHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)CC[C@@H]2CCCCO2)CC1 ZINC000641300679 530724743 /nfs/dbraw/zinc/72/47/43/530724743.db2.gz GEBAVAKWGSPGLU-INIZCTEOSA-N 0 3 375.535 0.665 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)C(F)(F)F ZINC000368577335 530724955 /nfs/dbraw/zinc/72/49/55/530724955.db2.gz VVKVUPBLRZGFRH-GRYCIOLGSA-N 0 3 386.440 0.544 20 0 GCADHN CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](OC)C[C@H]2CN)cc1 ZINC000578070192 530725709 /nfs/dbraw/zinc/72/57/09/530725709.db2.gz LDXQTBFPEMOTBC-KBPBESRZSA-N 0 3 390.527 0.997 20 0 GCADHN CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2CN)cc1 ZINC000578070193 530725755 /nfs/dbraw/zinc/72/57/55/530725755.db2.gz LDXQTBFPEMOTBC-KGLIPLIRSA-N 0 3 390.527 0.997 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CC[C@H]2CCCCO2)CC1 ZINC000641318929 530726937 /nfs/dbraw/zinc/72/69/37/530726937.db2.gz OEWHPUBCFFDMBD-MRXNPFEDSA-N 0 3 375.535 0.761 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000475800835 530727277 /nfs/dbraw/zinc/72/72/77/530727277.db2.gz WCMPPCLFPOKUGA-OAGGEKHMSA-N 0 3 376.519 0.730 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000475800836 530727713 /nfs/dbraw/zinc/72/77/13/530727713.db2.gz WCMPPCLFPOKUGA-XHSDSOJGSA-N 0 3 376.519 0.730 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)CC(C)(C)C(=O)OC ZINC000578168364 530728149 /nfs/dbraw/zinc/72/81/49/530728149.db2.gz RDBBZTCFVVTSJE-HNNXBMFYSA-N 0 3 377.551 0.863 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C[C@@H]1O ZINC000578204618 530728772 /nfs/dbraw/zinc/72/87/72/530728772.db2.gz WUPUADJNFLYGQG-RDBSUJKOSA-N 0 3 387.527 0.425 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C[C@@H]1O ZINC000578204617 530728874 /nfs/dbraw/zinc/72/88/74/530728874.db2.gz WUPUADJNFLYGQG-IHRRRGAJSA-N 0 3 387.527 0.425 20 0 GCADHN Cc1c(Br)cc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c(=O)n1C ZINC000578521266 530731911 /nfs/dbraw/zinc/73/19/11/530731911.db2.gz PWXARRNJHROHQO-VIFPVBQESA-N 0 3 387.278 0.252 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000477525371 530744609 /nfs/dbraw/zinc/74/46/09/530744609.db2.gz XIXHSLPUQIBPOB-UHFFFAOYSA-N 0 3 375.516 0.451 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)N[C@@H]1CCC[NH2+]C1 ZINC000418150306 530749831 /nfs/dbraw/zinc/74/98/31/530749831.db2.gz CUXQHJJNSRQUDM-LLVKDONJSA-N 0 3 378.857 0.809 20 0 GCADHN O=C(NCCCNS(=O)(=O)c1ccccc1Cl)NC[C@H]1CNCCO1 ZINC000418150684 530749885 /nfs/dbraw/zinc/74/98/85/530749885.db2.gz RBDYDEFEOMKFOX-GFCCVEGCSA-N 0 3 390.893 0.296 20 0 GCADHN C[NH2+]C[C@@H](C)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418174804 530751524 /nfs/dbraw/zinc/75/15/24/530751524.db2.gz SDAKAYZJDMMKPK-SNVBAGLBSA-N 0 3 380.873 0.912 20 0 GCADHN O=C(CNS(=O)(=O)CC[C@@H]1CCCCO1)NCCN1CCCCCC1 ZINC000641510369 530752072 /nfs/dbraw/zinc/75/20/72/530752072.db2.gz IBQWMRZLAFCQSU-INIZCTEOSA-N 0 3 375.535 0.857 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CN2CCN1CCC2 ZINC000371354417 530752700 /nfs/dbraw/zinc/75/27/00/530752700.db2.gz MGUHLTGLTIXYQT-HNNXBMFYSA-N 0 3 386.905 0.124 20 0 GCADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000371407436 530752958 /nfs/dbraw/zinc/75/29/58/530752958.db2.gz CKUPTOGZEGELRW-HNNXBMFYSA-N 0 3 376.523 0.211 20 0 GCADHN NC(=O)[C@H](c1ccc(Br)cc1F)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581142601 530754674 /nfs/dbraw/zinc/75/46/74/530754674.db2.gz PLQPECUWPLNKBT-ICCXJUOJSA-N 0 3 385.237 0.358 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)[C@@H]2C1 ZINC000371561616 530754942 /nfs/dbraw/zinc/75/49/42/530754942.db2.gz JMUIRCWJRSCWRL-UONOGXRCSA-N 0 3 376.548 0.101 20 0 GCADHN Cc1ccc(Br)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000581261006 530755793 /nfs/dbraw/zinc/75/57/93/530755793.db2.gz HETOAPGPIFDOOK-JQWIXIFHSA-N 0 3 395.257 0.466 20 0 GCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CCN2CCCS2(=O)=O)CC1 ZINC000581275594 530756108 /nfs/dbraw/zinc/75/61/08/530756108.db2.gz VEKVZIOZDWFGMI-AWEZNQCLSA-N 0 3 381.564 0.404 20 0 GCADHN C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000195127747 530756815 /nfs/dbraw/zinc/75/68/15/530756815.db2.gz FIQBQCBLMVIDKF-JTQLQIEISA-N 0 3 376.276 0.629 20 0 GCADHN C[C@@H]1NCCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)[C@H]1C ZINC000581430347 530757951 /nfs/dbraw/zinc/75/79/51/530757951.db2.gz ZQSYEPYWYJKTAI-QWRGUYRKSA-N 0 3 390.303 0.936 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000069126462 530759417 /nfs/dbraw/zinc/75/94/17/530759417.db2.gz OYIBNEDMSSNGBO-ZDUSSCGKSA-N 0 3 386.543 0.966 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)N(C)CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000641600907 530760580 /nfs/dbraw/zinc/76/05/80/530760580.db2.gz VPHXQIDZIVJOKM-CVEARBPZSA-N 0 3 376.567 0.986 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)C(C)S(=O)(=O)C2CCOCC2)C1 ZINC000479885379 530760636 /nfs/dbraw/zinc/76/06/36/530760636.db2.gz JXPHXVYDEDWXGR-CABCVRRESA-N 0 3 376.519 0.442 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000372069674 530761951 /nfs/dbraw/zinc/76/19/51/530761951.db2.gz DSADDENIYGMQAS-GJZGRUSLSA-N 0 3 376.523 0.209 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000581873210 530763693 /nfs/dbraw/zinc/76/36/93/530763693.db2.gz XNLZKPSDNVECRV-JTQLQIEISA-N 0 3 385.262 0.699 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000477572097 530745481 /nfs/dbraw/zinc/74/54/81/530745481.db2.gz FIKYJJPDMCMDCO-JSGCOSHPSA-N 0 3 394.563 0.504 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000477622965 530745721 /nfs/dbraw/zinc/74/57/21/530745721.db2.gz ULAOSLFIZDFFJY-GFCCVEGCSA-N 0 3 388.515 0.426 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)C(F)(F)F ZINC000370692573 530746492 /nfs/dbraw/zinc/74/64/92/530746492.db2.gz YQVSMNHSPLKGRL-VXGBXAGGSA-N 0 3 384.424 0.464 20 0 GCADHN CCN(CC)S(=O)(=O)CC(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000477663300 530746772 /nfs/dbraw/zinc/74/67/72/530746772.db2.gz PHVGGTKJLRNGJM-UHFFFAOYSA-N 0 3 377.507 0.049 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cncc(Br)c1 ZINC000371089777 530747642 /nfs/dbraw/zinc/74/76/42/530747642.db2.gz UZCGYGBULOXRHY-OLZOCXBDSA-N 0 3 383.246 0.762 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[NH2+]1 ZINC000418156576 530748967 /nfs/dbraw/zinc/74/89/67/530748967.db2.gz AUFZVPAQWLUNKY-JQWIXIFHSA-N 0 3 376.429 0.683 20 0 GCADHN COCC[NH2+]CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418153457 530749095 /nfs/dbraw/zinc/74/90/95/530749095.db2.gz ISLKFXHTGRENKI-UHFFFAOYSA-N 0 3 396.872 0.293 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCN(C)CC2)C1 ZINC000372852499 530774312 /nfs/dbraw/zinc/77/43/12/530774312.db2.gz SCJRBLPOPVXILT-OAHLLOKOSA-N 0 3 376.523 0.163 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000480979899 530774513 /nfs/dbraw/zinc/77/45/13/530774513.db2.gz MJAUJBILFBWSPW-UHFFFAOYSA-N 0 3 392.547 0.307 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481193499 530776671 /nfs/dbraw/zinc/77/66/71/530776671.db2.gz TYRNVBSZZDFTKS-OCCSQVGLSA-N 0 3 383.605 0.601 20 0 GCADHN CCC(CC)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481477804 530778132 /nfs/dbraw/zinc/77/81/32/530778132.db2.gz HPEAKZXMVXQIEE-JTQLQIEISA-N 0 3 376.504 0.842 20 0 GCADHN CCOCCCNC(=O)C(C)S(=O)(=O)c1nnc(N2CCCC2)s1 ZINC000481408604 530778523 /nfs/dbraw/zinc/77/85/23/530778523.db2.gz DHWCOGPRSXBCGT-LLVKDONJSA-N 0 3 376.504 0.843 20 0 GCADHN CC(C(=O)N1CCC(C)CC1)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481474244 530778600 /nfs/dbraw/zinc/77/86/00/530778600.db2.gz AKDSYRCPNFRYNW-GFCCVEGCSA-N 0 3 388.515 0.795 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000045282822 530779592 /nfs/dbraw/zinc/77/95/92/530779592.db2.gz JRLZBHIDXNDHMR-GWCFXTLKSA-N 0 3 379.887 0.947 20 0 GCADHN CCOC(=O)C[C@](C)(NCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000481691696 530780067 /nfs/dbraw/zinc/78/00/67/530780067.db2.gz XERPLXIRSUKLOT-PBHICJAKSA-N 0 3 376.519 0.980 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000045359020 530780390 /nfs/dbraw/zinc/78/03/90/530780390.db2.gz SOMPDJMFYBNCBB-GXFFZTMASA-N 0 3 379.887 0.947 20 0 GCADHN COc1cccc(CS(=O)(=O)C(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000046140134 530780638 /nfs/dbraw/zinc/78/06/38/530780638.db2.gz QURGVIPXKUZBIT-WCQYABFASA-N 0 3 375.468 0.302 20 0 GCADHN CC(C(=O)N(CCN(C)C)C[C@H]1CCCO1)S(=O)(=O)C1CCOCC1 ZINC000481802056 530781465 /nfs/dbraw/zinc/78/14/65/530781465.db2.gz BKHZGIGSUAXUCT-LSDHHAIUSA-N 0 3 376.519 0.538 20 0 GCADHN C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)N(C)C1CC1 ZINC000057706193 530783579 /nfs/dbraw/zinc/78/35/79/530783579.db2.gz HPGGZLWLCFAWAN-LBPRGKRZSA-N 0 3 386.543 0.965 20 0 GCADHN Cc1nsc(N2CCN(C(=O)C(C)S(=O)(=O)C3CCOCC3)CC2)n1 ZINC000482429688 530784448 /nfs/dbraw/zinc/78/44/48/530784448.db2.gz ACLKLRLDFXMZTG-LLVKDONJSA-N 0 3 388.515 0.477 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000373773557 530784876 /nfs/dbraw/zinc/78/48/76/530784876.db2.gz AOLWUTNJQLJTFF-OAHLLOKOSA-N 0 3 375.539 0.479 20 0 GCADHN CNC(=O)c1ccc(CNCCNS(=O)(=O)c2sc(=O)[nH]c2C)cc1 ZINC000482499153 530785319 /nfs/dbraw/zinc/78/53/19/530785319.db2.gz DDNZVYBKUAOVMO-UHFFFAOYSA-N 0 3 384.483 0.585 20 0 GCADHN Cc1nn(C)c(CN[C@H]2CCN(CCN3CCOCC3)C2)c1Br ZINC000373843030 530786433 /nfs/dbraw/zinc/78/64/33/530786433.db2.gz SYSFAJYMAHYEES-AWEZNQCLSA-N 0 3 386.338 0.987 20 0 GCADHN CN(C)[C@@]1(CNC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CCSC1 ZINC000482813257 530786713 /nfs/dbraw/zinc/78/67/13/530786713.db2.gz FUYVMWPBGUZOJO-IUODEOHRSA-N 0 3 387.531 0.802 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1C ZINC000480442878 530765231 /nfs/dbraw/zinc/76/52/31/530765231.db2.gz JEOUPFSNADSIFU-CYBMUJFWSA-N 0 3 387.527 0.666 20 0 GCADHN CCN(CCN)C(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000627293721 530807110 /nfs/dbraw/zinc/80/71/10/530807110.db2.gz ATXSVDVQOQPNCJ-UHFFFAOYSA-N 0 3 385.262 0.102 20 0 GCADHN CC(C(=O)N1CCO[C@@H](COCC2CC2)C1)S(=O)(=O)C1CCOCC1 ZINC000485554181 530799440 /nfs/dbraw/zinc/79/94/40/530799440.db2.gz ZHEATUJQUXQRPG-DZGCQCFKSA-N 0 3 375.487 0.623 20 0 GCADHN CN(CC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)S(C)(=O)=O ZINC000373963257 530788292 /nfs/dbraw/zinc/78/82/92/530788292.db2.gz LJWXDYHQKAFAPY-UHFFFAOYSA-N 0 3 375.535 0.808 20 0 GCADHN COC(=O)Cc1csc(NC(=O)CSc2nnnn2CCN(C)C)n1 ZINC000065829911 530788596 /nfs/dbraw/zinc/78/85/96/530788596.db2.gz MBDIPPGEERZKGO-UHFFFAOYSA-N 0 3 385.475 0.138 20 0 GCADHN CN(CC(=O)N[C@H](CO)CN1CCCC1)C(=O)c1ccc(Br)o1 ZINC000646224191 530788612 /nfs/dbraw/zinc/78/86/12/530788612.db2.gz QJOBLZQGEIQMBG-NSHDSACASA-N 0 3 388.262 0.687 20 0 GCADHN CS(=O)(=O)CCCCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000483788031 530790499 /nfs/dbraw/zinc/79/04/99/530790499.db2.gz RVYXBAQRWYEPBV-UHFFFAOYSA-N 0 3 375.535 0.955 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)[N-]CCN2CCC([NH+](C)C)CC2)c1 ZINC000484771548 530794882 /nfs/dbraw/zinc/79/48/82/530794882.db2.gz QXIBHJTZYLVZNN-UHFFFAOYSA-N 0 3 375.516 0.839 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CCCO1 ZINC000490365095 530827658 /nfs/dbraw/zinc/82/76/58/530827658.db2.gz IJOXJQRGHZHRKP-HUUCEWRRSA-N 0 3 376.523 0.163 20 0 GCADHN O=C(N[C@H]1CCN(C2CC2)C1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000620531446 530828010 /nfs/dbraw/zinc/82/80/10/530828010.db2.gz FSIJXPYRXFSSQA-LBPRGKRZSA-N 0 3 384.527 0.719 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(S(=O)(=O)N2CCSCC2)c[n-]1 ZINC000620531446 530828012 /nfs/dbraw/zinc/82/80/12/530828012.db2.gz FSIJXPYRXFSSQA-LBPRGKRZSA-N 0 3 384.527 0.719 20 0 GCADHN O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(S(=O)(=O)N2CCSCC2)c[n-]1 ZINC000620531446 530828014 /nfs/dbraw/zinc/82/80/14/530828014.db2.gz FSIJXPYRXFSSQA-LBPRGKRZSA-N 0 3 384.527 0.719 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000490444969 530828456 /nfs/dbraw/zinc/82/84/56/530828456.db2.gz MTSXGBLDKOMWKS-UHFFFAOYSA-N 0 3 389.543 0.947 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000491261210 530831810 /nfs/dbraw/zinc/83/18/10/530831810.db2.gz YDFJYPVIPLCMLA-CYBMUJFWSA-N 0 3 387.527 0.747 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378230555 530836305 /nfs/dbraw/zinc/83/63/05/530836305.db2.gz QMKDUQNQMOJJQN-LBPRGKRZSA-N 0 3 385.262 0.702 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CCC[NH+](C)C)s1 ZINC000489027117 530820334 /nfs/dbraw/zinc/82/03/34/530820334.db2.gz MIKOYAYAJVUDPX-UHFFFAOYSA-N 0 3 383.561 0.460 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)CCCC[NH3+])s1 ZINC000495126248 530848227 /nfs/dbraw/zinc/84/82/27/530848227.db2.gz BXVDVERLEFXVBZ-NSHDSACASA-N 0 3 390.531 0.296 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)CCN2C1=O ZINC000582797631 530852887 /nfs/dbraw/zinc/85/28/87/530852887.db2.gz VIWOPBWSBAVHTE-GXSJLCMTSA-N 0 3 381.351 0.777 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1(CCO)CCN(C)CC1 ZINC000499131950 530853785 /nfs/dbraw/zinc/85/37/85/530853785.db2.gz WIVYBRAKMWPJAJ-LBPRGKRZSA-N 0 3 375.516 0.378 20 0 GCADHN CSC1(CNC(=O)NCc2ccccc2S(N)(=O)=O)CCN(C)CC1 ZINC000582998324 530857384 /nfs/dbraw/zinc/85/73/84/530857384.db2.gz XHZKGJKDFUVLRP-UHFFFAOYSA-N 0 3 386.543 0.961 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000499932132 530857546 /nfs/dbraw/zinc/85/75/46/530857546.db2.gz RHWHXASDYUCBMK-INIZCTEOSA-N 0 3 375.535 0.761 20 0 GCADHN COC1CCN(S(=O)(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000656938076 530861990 /nfs/dbraw/zinc/86/19/90/530861990.db2.gz IZMPBCAXCXIUIL-SJORKVTESA-N 0 3 375.535 0.700 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000500871159 530865406 /nfs/dbraw/zinc/86/54/06/530865406.db2.gz SXMGMMBXWJXPHQ-HNNXBMFYSA-N 0 3 392.591 0.929 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCCC1(O)CCC1 ZINC000583318015 530869295 /nfs/dbraw/zinc/86/92/95/530869295.db2.gz LZOYOFSVMRGPNW-UHFFFAOYSA-N 0 3 390.527 0.605 20 0 GCADHN C[C@H](CNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)N(C)C1CC1 ZINC000584432807 530870848 /nfs/dbraw/zinc/87/08/48/530870848.db2.gz WSRMCVDRNDNHEC-HIFRSBDPSA-N 0 3 375.539 0.429 20 0 GCADHN CC[C@@H](C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C)[NH+](CC)CC ZINC000501989128 530872262 /nfs/dbraw/zinc/87/22/62/530872262.db2.gz FSUUOFQFPHJUKQ-NSHDSACASA-N 0 3 378.520 0.672 20 0 GCADHN CCN1CCN(CCC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000502127631 530872634 /nfs/dbraw/zinc/87/26/34/530872634.db2.gz QTENIUALZZQCMR-AWEZNQCLSA-N 0 3 389.543 0.027 20 0 GCADHN C[C@@H]1CNC[C@H](C)N1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000493442678 530838299 /nfs/dbraw/zinc/83/82/99/530838299.db2.gz OAEMUFGPULMGSH-QLFBSQMISA-N 0 3 385.555 0.946 20 0 GCADHN C[C@@H](CN)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000493984890 530840492 /nfs/dbraw/zinc/84/04/92/530840492.db2.gz JZSMZUUCGNOJPP-GXFFZTMASA-N 0 3 375.878 0.337 20 0 GCADHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC=CCC2)ccn1 ZINC000656380040 530841216 /nfs/dbraw/zinc/84/12/16/530841216.db2.gz HDYLMCZXVOYKKU-UHFFFAOYSA-N 0 3 388.515 0.871 20 0 GCADHN CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC=CCC2)cc[nH+]1 ZINC000656380040 530841218 /nfs/dbraw/zinc/84/12/18/530841218.db2.gz HDYLMCZXVOYKKU-UHFFFAOYSA-N 0 3 388.515 0.871 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Br ZINC000583823644 530898982 /nfs/dbraw/zinc/89/89/82/530898982.db2.gz CWPYVZVKFJTKLP-GXFFZTMASA-N 0 3 388.287 0.690 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000502836197 530877319 /nfs/dbraw/zinc/87/73/19/530877319.db2.gz PEFZVVPDMRETBG-JQWIXIFHSA-N 0 3 388.877 0.430 20 0 GCADHN CN1CC[C@@]2(CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C)C2)C1 ZINC000349501800 530883126 /nfs/dbraw/zinc/88/31/26/530883126.db2.gz NKUAVPNJRMVRCY-OAHLLOKOSA-N 0 3 381.564 0.452 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000622013368 530888927 /nfs/dbraw/zinc/88/89/27/530888927.db2.gz OKRBESJYWFNJFS-IINYFYTJSA-N 0 3 377.463 0.699 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000504391639 530890160 /nfs/dbraw/zinc/89/01/60/530890160.db2.gz NIZAJFDMOSYDCQ-UHFFFAOYSA-N 0 3 380.580 0.594 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000504561465 530890380 /nfs/dbraw/zinc/89/03/80/530890380.db2.gz RSUNFDDSVMVPPC-LMKMVOKYSA-N 0 3 389.905 0.586 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000504561463 530890744 /nfs/dbraw/zinc/89/07/44/530890744.db2.gz RSUNFDDSVMVPPC-CPJLOUKISA-N 0 3 389.905 0.586 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000504583177 530890831 /nfs/dbraw/zinc/89/08/31/530890831.db2.gz UAJWJAHZUNPMSP-HNNXBMFYSA-N 0 3 391.877 0.111 20 0 GCADHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000479319596 530892755 /nfs/dbraw/zinc/89/27/55/530892755.db2.gz MLECGBRCMKFURU-ZDUSSCGKSA-N 0 3 377.532 0.912 20 0 GCADHN Cc1ncccc1NS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000349607238 530911281 /nfs/dbraw/zinc/91/12/81/530911281.db2.gz ULECJKQILWLZQO-CQSZACIVSA-N 0 3 390.531 0.393 20 0 GCADHN COCCNCCNC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000418511338 530930615 /nfs/dbraw/zinc/93/06/15/530930615.db2.gz RHRNBNYIDGFHMV-OAHLLOKOSA-N 0 3 376.523 0.258 20 0 GCADHN COCCNCCNC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000418504218 530930648 /nfs/dbraw/zinc/93/06/48/530930648.db2.gz ALESTRFYTRJXIR-CQSZACIVSA-N 0 3 399.289 0.868 20 0 GCADHN CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000511014613 530931414 /nfs/dbraw/zinc/93/14/14/530931414.db2.gz QJIUAZCTNVNBOB-ZDUSSCGKSA-N 0 3 375.516 0.747 20 0 GCADHN O=C(NC[C@H](O)COc1ccccc1Br)NC[C@@H]1CNCCO1 ZINC000418757682 530934027 /nfs/dbraw/zinc/93/40/27/530934027.db2.gz DRRABLKBFXBXDV-RYUDHWBXSA-N 0 3 388.262 0.476 20 0 GCADHN CSc1nnc(CNC(=O)C(=O)N2CCC(OCCN(C)C)CC2)s1 ZINC000584687459 530921484 /nfs/dbraw/zinc/92/14/84/530921484.db2.gz YVKHKNKSCYHKTK-UHFFFAOYSA-N 0 3 387.531 0.445 20 0 GCADHN C[C@H](Nc1nc(N)nc(N)n1)c1ccc(Br)cc1OCCCO ZINC000624234803 530922387 /nfs/dbraw/zinc/92/23/87/530922387.db2.gz YPFNRYJLFWXSSM-QMMMGPOBSA-N 0 3 383.250 0.815 20 0 GCADHN COc1ccc(Br)cc1C[C@@H](CO)CNc1nc(N)nc(N)n1 ZINC000624261216 530923115 /nfs/dbraw/zinc/92/31/15/530923115.db2.gz LKUWKZJJELZZQB-MRVPVSSYSA-N 0 3 383.250 0.153 20 0 GCADHN COC(=O)[C@@H](O)CNC[C@@H](O)COc1ccc(Cl)cc1Br ZINC000584780940 530923594 /nfs/dbraw/zinc/92/35/94/530923594.db2.gz ATFHYAODCZDHKJ-KOLCDFICSA-N 0 3 382.638 0.966 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCOCC[NH3+])cc1F ZINC000624409677 530924928 /nfs/dbraw/zinc/92/49/28/530924928.db2.gz LBPCXALENXUFGE-UHFFFAOYSA-N 0 3 397.494 0.573 20 0 GCADHN COC(=O)[C@@H](COC(C)C)N(C)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000610840361 530926118 /nfs/dbraw/zinc/92/61/18/530926118.db2.gz VPBVEZKSMDYPMW-GXTWGEPZSA-N 0 3 379.475 0.394 20 0 GCADHN CN(Cc1ccc(Br)o1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659747395 530926500 /nfs/dbraw/zinc/92/65/00/530926500.db2.gz DIRGZGBKHJUMCK-UHFFFAOYSA-N 0 3 398.217 0.271 20 0 GCADHN CN(CCN)C(=O)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000419352091 530957754 /nfs/dbraw/zinc/95/77/54/530957754.db2.gz AJLBXYOCBSVPHW-UHFFFAOYSA-N 0 3 385.262 0.102 20 0 GCADHN C[NH2+]CCOCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000627004625 530958066 /nfs/dbraw/zinc/95/80/66/530958066.db2.gz PPMMAEYLOCGHBS-UHFFFAOYSA-N 0 3 384.911 0.215 20 0 GCADHN [NH3+]C[C@H]1CN(C(=O)C(=O)NCc2ccc([O-])c(Br)c2)CCCO1 ZINC000419407361 530958462 /nfs/dbraw/zinc/95/84/62/530958462.db2.gz KIRROGIDEVQOJT-NSHDSACASA-N 0 3 386.246 0.347 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCc2ccc(Br)cc2)[C@@H](CN)C1 ZINC000517225877 530958669 /nfs/dbraw/zinc/95/86/69/530958669.db2.gz CBFUHUXUFNMFFG-AWEZNQCLSA-N 0 3 383.290 0.209 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419465774 530959244 /nfs/dbraw/zinc/95/92/44/530959244.db2.gz UNZBMNYRTNCHRL-UHFFFAOYSA-N 0 3 384.274 0.377 20 0 GCADHN O=S(=O)(CCCN1CCCC1)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000632309560 530965695 /nfs/dbraw/zinc/96/56/95/530965695.db2.gz HWGQKZYSNVAJGW-UHFFFAOYSA-N 0 3 393.575 0.692 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)NCCc1ccc(I)s1 ZINC000419581906 530960320 /nfs/dbraw/zinc/96/03/20/530960320.db2.gz MGGMTENFPSGSPF-MRVPVSSYSA-N 0 3 395.266 0.817 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419583082 530960357 /nfs/dbraw/zinc/96/03/57/530960357.db2.gz GPJYUCZCSWOPKB-QMTHXVAHSA-N 0 3 382.258 0.657 20 0 GCADHN Cc1cc(Br)cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000520841423 530960369 /nfs/dbraw/zinc/96/03/69/530960369.db2.gz RAWJKWRKFDMJBG-QWHCGFSZSA-N 0 3 395.257 0.466 20 0 GCADHN CSCC[C@H](N)C(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000262144551 530960930 /nfs/dbraw/zinc/96/09/30/530960930.db2.gz AQKAJTUTZWJYNQ-ZDUSSCGKSA-N 0 3 390.531 0.595 20 0 GCADHN COC1(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)CCCC1 ZINC000632151087 530960916 /nfs/dbraw/zinc/96/09/16/530960916.db2.gz XJSJGDTUOCRLTD-HNNXBMFYSA-N 0 3 377.551 0.958 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NCC[NH2+]C1CC1 ZINC000236625110 530960972 /nfs/dbraw/zinc/96/09/72/530960972.db2.gz JOGDQVLVFBMGJF-UHFFFAOYSA-N 0 3 382.305 0.657 20 0 GCADHN O=C(NCc1cc(Br)cc2c1OCC2)C(=O)NC[C@H]1CNCCO1 ZINC000419670463 530961170 /nfs/dbraw/zinc/96/11/70/530961170.db2.gz DEZCSKMRBSPQIS-CYBMUJFWSA-N 0 3 398.257 0.105 20 0 GCADHN O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)C(=O)N1CCCNCC1 ZINC000419658834 530961354 /nfs/dbraw/zinc/96/13/54/530961354.db2.gz XWRSRZFPSXJJNE-CQSZACIVSA-N 0 3 395.301 0.966 20 0 GCADHN CC[C@H](NC(=O)C(=O)N(CCN)CCO)c1cc(F)cc(Br)c1 ZINC000419771214 530962217 /nfs/dbraw/zinc/96/22/17/530962217.db2.gz FHKMWWDTZVNFQE-ZDUSSCGKSA-N 0 3 390.253 0.935 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(CNS(=O)(=O)CCCN2CCCC2)c1 ZINC000632199791 530962552 /nfs/dbraw/zinc/96/25/52/530962552.db2.gz PVQKZUCKJUYFNL-UHFFFAOYSA-N 0 3 389.543 0.842 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000419836574 530962933 /nfs/dbraw/zinc/96/29/33/530962933.db2.gz ZIFVAAXLQPCEHB-GFCCVEGCSA-N 0 3 386.290 0.849 20 0 GCADHN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419818700 530962940 /nfs/dbraw/zinc/96/29/40/530962940.db2.gz OLDOBPAJYWIJML-GFCCVEGCSA-N 0 3 383.290 0.729 20 0 GCADHN CCCN(CCN(CC)CC)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000632214717 530963392 /nfs/dbraw/zinc/96/33/92/530963392.db2.gz JIZDYIYLVMIUJK-OAHLLOKOSA-N 0 3 383.580 0.652 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)CC2(C(=O)OC)CCCC2)CC1 ZINC000521118541 530964069 /nfs/dbraw/zinc/96/40/69/530964069.db2.gz ZVFSOMXMGLQJFX-OAHLLOKOSA-N 0 3 375.535 0.665 20 0 GCADHN O=C(NC[C@H](CO)Cc1ccc(Br)cc1)NC[C@@H]1CNCCO1 ZINC000418762675 530935229 /nfs/dbraw/zinc/93/52/29/530935229.db2.gz JEMCFVRIYYGYSB-HIFRSBDPSA-N 0 3 386.290 0.888 20 0 GCADHN CN(CCOCC[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000627029242 530964640 /nfs/dbraw/zinc/96/46/40/530964640.db2.gz RHXGWBKNSLFMSG-UHFFFAOYSA-N 0 3 396.872 0.374 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418801937 530935334 /nfs/dbraw/zinc/93/53/34/530935334.db2.gz CQRGHZTYJLWDIM-IVZWLZJFSA-N 0 3 388.287 0.587 20 0 GCADHN CCN(C(=O)C(=O)N[C@@H](CN)C1CCCCC1)[C@@H](C)CS(=O)(=O)CC ZINC000419961737 530964663 /nfs/dbraw/zinc/96/46/63/530964663.db2.gz GEYMUFWSZFHKII-ZFWWWQNUSA-N 0 3 375.535 0.682 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000418802819 530935804 /nfs/dbraw/zinc/93/58/04/530935804.db2.gz KJBBFWHENZGNMV-LLVKDONJSA-N 0 3 399.289 0.377 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000418819361 530937574 /nfs/dbraw/zinc/93/75/74/530937574.db2.gz CSXPQHOWEPUUKI-GXTWGEPZSA-N 0 3 384.274 0.773 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418831650 530938366 /nfs/dbraw/zinc/93/83/66/530938366.db2.gz LONCJZUZIPWXRV-UONOGXRCSA-N 0 3 384.274 0.773 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000521458402 530938646 /nfs/dbraw/zinc/93/86/46/530938646.db2.gz HNMBOMUVNIUQQG-UHFFFAOYSA-N 0 3 375.535 0.617 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N(C)[C@@H](C)C[S@](C)=O)CC1 ZINC000131197958 530942641 /nfs/dbraw/zinc/94/26/41/530942641.db2.gz FBNCSZAMJVUTTO-BSNNYGBQSA-N 0 3 376.548 0.878 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000512389393 530942885 /nfs/dbraw/zinc/94/28/85/530942885.db2.gz LHGOAXUWATVJJR-HOTGVXAUSA-N 0 3 375.535 0.544 20 0 GCADHN CS(=O)(=O)NC1(CNS(=O)(=O)CCCN2CCCC2)CCCCC1 ZINC000631730436 530946130 /nfs/dbraw/zinc/94/61/30/530946130.db2.gz UHLHRSSYSKXOBA-UHFFFAOYSA-N 0 3 381.564 0.644 20 0 GCADHN O=S(=O)(CCCN1CCCC1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000631786317 530948042 /nfs/dbraw/zinc/94/80/42/530948042.db2.gz VFWSJGZCTDZSBC-MRXNPFEDSA-N 0 3 377.576 0.600 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1)C1CC1 ZINC000420054946 530965256 /nfs/dbraw/zinc/96/52/56/530965256.db2.gz GAOKMPGEQJWKPH-CYBMUJFWSA-N 0 3 384.278 0.663 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000418957472 530951780 /nfs/dbraw/zinc/95/17/80/530951780.db2.gz ZSRKBEFVTGWOTN-SNVBAGLBSA-N 0 3 385.262 0.700 20 0 GCADHN C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419015294 530952540 /nfs/dbraw/zinc/95/25/40/530952540.db2.gz BIWMBGPSBSYRBY-SWLSCSKDSA-N 0 3 398.301 0.991 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000418962501 530952612 /nfs/dbraw/zinc/95/26/12/530952612.db2.gz HHTYJQOMNOOONF-UHFFFAOYSA-N 0 3 387.267 0.913 20 0 GCADHN O=C(NCc1cc(Cl)ccc1OC(F)F)C(=O)NC[C@@H]1CNCCO1 ZINC000419040171 530953294 /nfs/dbraw/zinc/95/32/94/530953294.db2.gz IBCNUJKMTDDEMY-NSHDSACASA-N 0 3 377.775 0.662 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000420035162 530965451 /nfs/dbraw/zinc/96/54/51/530965451.db2.gz YGKXXJHWWZNNED-LLVKDONJSA-N 0 3 397.273 0.197 20 0 GCADHN C[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419059754 530954159 /nfs/dbraw/zinc/95/41/59/530954159.db2.gz YFVULIXIQAKLIJ-YPMHNXCESA-N 0 3 384.274 0.601 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H](C)CN)C2=O)ccc1Br ZINC000419066368 530954600 /nfs/dbraw/zinc/95/46/00/530954600.db2.gz QSRIYTPSGPWECB-GWCFXTLKSA-N 0 3 397.273 0.442 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N[C@H](C)CN)C2=O)ccc1Br ZINC000419066539 530954660 /nfs/dbraw/zinc/95/46/60/530954660.db2.gz QSRIYTPSGPWECB-MFKMUULPSA-N 0 3 397.273 0.442 20 0 GCADHN O=C(NCc1cc(Br)c2c(c1)OCCO2)C(=O)N1CCCNCC1 ZINC000419162789 530955172 /nfs/dbraw/zinc/95/51/72/530955172.db2.gz VEVOTRCDTWGZKN-UHFFFAOYSA-N 0 3 398.257 0.658 20 0 GCADHN CN(C)CCn1cc(C(=O)NCCN(C)S(=O)(=O)c2cccs2)cn1 ZINC000631999882 530955254 /nfs/dbraw/zinc/95/52/54/530955254.db2.gz UPCAWFCHEDFCNF-UHFFFAOYSA-N 0 3 385.515 0.557 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000419135206 530955955 /nfs/dbraw/zinc/95/59/55/530955955.db2.gz LZQIEHWBLMGJOT-UHFFFAOYSA-N 0 3 378.256 0.658 20 0 GCADHN C[C@H](C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)N1[C@H](C)CC[C@@H]1C ZINC000522064824 530973102 /nfs/dbraw/zinc/97/31/02/530973102.db2.gz UYPNJZDSKDWEGQ-QKPAOTATSA-N 0 3 375.535 0.852 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000420754078 530973786 /nfs/dbraw/zinc/97/37/86/530973786.db2.gz NYKKNIHZLMQZSP-ZJUUUORDSA-N 0 3 377.381 0.672 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000522231038 530975379 /nfs/dbraw/zinc/97/53/79/530975379.db2.gz GHFOWDQPXCDTRC-CABCVRRESA-N 0 3 376.523 0.211 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000523320792 530980617 /nfs/dbraw/zinc/98/06/17/530980617.db2.gz KBWIPVJJZDAVMS-AWEZNQCLSA-N 0 3 378.564 0.396 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000633105805 530982161 /nfs/dbraw/zinc/98/21/61/530982161.db2.gz OPTZVZOBROCAAS-ZWNOBZJWSA-N 0 3 392.283 0.997 20 0 GCADHN C[C@@H](CNC(=O)NCc1c(Br)cnn1C)CN1CCN(C)CC1 ZINC000633077856 530982256 /nfs/dbraw/zinc/98/22/56/530982256.db2.gz FFJOPYQXLWAQMM-LBPRGKRZSA-N 0 3 387.326 0.865 20 0 GCADHN CS[C@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)C[C@@H]1N(C)C ZINC000536813113 530982929 /nfs/dbraw/zinc/98/29/29/530982929.db2.gz ADXRXJYVHUHTDQ-IUCAKERBSA-N 0 3 384.453 0.832 20 0 GCADHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Br ZINC000572061077 530984442 /nfs/dbraw/zinc/98/44/42/530984442.db2.gz XLGNFVMEQXSIHC-DGCLKSJQSA-N 0 3 397.273 0.911 20 0 GCADHN CN(Cc1cc(Br)ccc1F)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420211981 530966893 /nfs/dbraw/zinc/96/68/93/530966893.db2.gz XOAZFVTVSLEMPD-LBPRGKRZSA-N 0 3 388.237 0.651 20 0 GCADHN CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420207798 530966962 /nfs/dbraw/zinc/96/69/62/530966962.db2.gz XRCDNYCVMFLLNF-AWEZNQCLSA-N 0 3 384.274 0.902 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000420465241 530967866 /nfs/dbraw/zinc/96/78/66/530967866.db2.gz YGBSEMHCBHPVNM-QWRGUYRKSA-N 0 3 379.479 0.993 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000420454388 530967943 /nfs/dbraw/zinc/96/79/43/530967943.db2.gz LGYMAVJDCDTFNW-NWDGAFQWSA-N 0 3 395.572 0.636 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](N(C)C)[C@H]1C ZINC000632369869 530968992 /nfs/dbraw/zinc/96/89/92/530968992.db2.gz SCSCGAAVWDPSFN-OLZOCXBDSA-N 0 3 375.516 0.698 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)C[C@H](CC(C)C)OC)CC1 ZINC000420672930 530969781 /nfs/dbraw/zinc/96/97/81/530969781.db2.gz YQZPIJVRIILKIX-INIZCTEOSA-N 0 3 377.551 0.863 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c1OC ZINC000522006965 530972126 /nfs/dbraw/zinc/97/21/26/530972126.db2.gz YIWFCXFQNIHCQO-UHFFFAOYSA-N 0 3 391.877 0.319 20 0 GCADHN O=C(c1sccc1S(=O)(=O)N1CCSCC1)N1CCCNCC1 ZINC000262485611 530991021 /nfs/dbraw/zinc/99/10/21/530991021.db2.gz YYSCCOYIRHRSDL-UHFFFAOYSA-N 0 3 375.541 0.921 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]([NH2+]C)C2)cc1F ZINC000261977773 530991941 /nfs/dbraw/zinc/99/19/41/530991941.db2.gz IWDQHUSEPCVEMI-NSHDSACASA-N 0 3 379.479 0.960 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CN)c(Br)c1 ZINC000262029557 530992489 /nfs/dbraw/zinc/99/24/89/530992489.db2.gz JOTZXQZALBTLPH-SECBINFHSA-N 0 3 397.316 0.964 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCNC2)c1 ZINC000262062386 530992554 /nfs/dbraw/zinc/99/25/54/530992554.db2.gz OBUSUCMBJFOJRS-ZDUSSCGKSA-N 0 3 375.516 0.747 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1F ZINC000262124234 530993721 /nfs/dbraw/zinc/99/37/21/530993721.db2.gz KVJGNXAXBWMTAN-LLVKDONJSA-N 0 3 379.479 0.865 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]C1 ZINC000262124282 530993768 /nfs/dbraw/zinc/99/37/68/530993768.db2.gz KWYFUCFOWLOCKY-LLVKDONJSA-N 0 3 375.878 0.872 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1F ZINC000262136608 530994392 /nfs/dbraw/zinc/99/43/92/530994392.db2.gz NZLLHXKRMSPZPQ-LLVKDONJSA-N 0 3 379.479 0.865 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NCCNC(=O)c1ccc(Br)cn1 ZINC000659334837 530994477 /nfs/dbraw/zinc/99/44/77/530994477.db2.gz GISZMLUTHAADAU-GFCCVEGCSA-N 0 3 385.262 0.459 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)cc1F ZINC000262167515 530995288 /nfs/dbraw/zinc/99/52/88/530995288.db2.gz WKJMSINSEPNJNJ-NSHDSACASA-N 0 3 379.479 0.960 20 0 GCADHN O=S(=O)([N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2nsnc21 ZINC000262363073 530997304 /nfs/dbraw/zinc/99/73/04/530997304.db2.gz VVGQJRSSGHMWKZ-LLVKDONJSA-N 0 3 395.432 0.806 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCN1CCCCC1 ZINC000572202711 530986964 /nfs/dbraw/zinc/98/69/64/530986964.db2.gz WAEGTUNJRCEJRN-HNNXBMFYSA-N 0 3 375.539 0.432 20 0 GCADHN CN1CCC(O)(CNC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000397505435 530998418 /nfs/dbraw/zinc/99/84/18/530998418.db2.gz CUBMMMPROGUSND-UHFFFAOYSA-N 0 3 384.274 0.752 20 0 GCADHN [NH3+]C[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000238061036 530989420 /nfs/dbraw/zinc/98/94/20/530989420.db2.gz SIUHELPYBWADDW-VIFPVBQESA-N 0 3 396.332 0.986 20 0 GCADHN CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261726550 530989773 /nfs/dbraw/zinc/98/97/73/530989773.db2.gz NVJHLDKBDFIQMG-LBPRGKRZSA-N 0 3 383.440 0.654 20 0 GCADHN CN1CCN(S(=O)(=O)c2ccc(I)cc2)[C@H](CN)C1 ZINC000122682822 530990039 /nfs/dbraw/zinc/99/00/39/530990039.db2.gz ZAOHMLQKWFJYPZ-LLVKDONJSA-N 0 3 395.266 0.555 20 0 GCADHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000614020770 531005498 /nfs/dbraw/zinc/00/54/98/531005498.db2.gz WRLBWNGRWCTKSQ-GDBMZVCRSA-N 0 3 375.535 0.710 20 0 GCADHN O=S(=O)(CC1CCS(=O)(=O)CC1)NC[C@@H]1CCCN(CC2CC2)C1 ZINC000660180789 531005699 /nfs/dbraw/zinc/00/56/99/531005699.db2.gz WFRKXQOHCXJOJP-INIZCTEOSA-N 0 3 378.560 0.853 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000660449157 531007615 /nfs/dbraw/zinc/00/76/15/531007615.db2.gz KFYBAWVXKLJNBK-LJISPDSOSA-N 0 3 375.535 0.854 20 0 GCADHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)C1 ZINC000660635165 531008912 /nfs/dbraw/zinc/00/89/12/531008912.db2.gz ZTVJVFCPPUERJR-ILXRZTDVSA-N 0 3 375.535 0.998 20 0 GCADHN CN(CCNC(=O)NCCNC(=O)c1ccc(Br)cn1)C1CC1 ZINC000660840062 531009526 /nfs/dbraw/zinc/00/95/26/531009526.db2.gz HLBBGQRZKCOETI-UHFFFAOYSA-N 0 3 384.278 0.967 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NCC[C@@H]1CC[NH2+]C1 ZINC000262580102 531017324 /nfs/dbraw/zinc/01/73/24/531017324.db2.gz NVSFDXVSUKPKNT-VIFPVBQESA-N 0 3 396.332 0.905 20 0 GCADHN Cn1cc(I)c(CN[C@H](C2CC2)[C@@H]2CNCCO2)n1 ZINC000423155484 531017521 /nfs/dbraw/zinc/01/75/21/531017521.db2.gz LEQBPXOYAZMYJR-QWHCGFSZSA-N 0 3 376.242 0.881 20 0 GCADHN N[C@H](CC1CCCCC1)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000423184522 531017549 /nfs/dbraw/zinc/01/75/49/531017549.db2.gz UDBNMJKHMUVLFO-HZPDHXFCSA-N 0 3 375.535 0.889 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3F)CCN2C1=O ZINC000580725290 531017734 /nfs/dbraw/zinc/01/77/34/531017734.db2.gz PZGLMJGECXUMCY-SCZZXKLOSA-N 0 3 392.250 0.521 20 0 GCADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000423671068 531018518 /nfs/dbraw/zinc/01/85/18/531018518.db2.gz NAWSCZUWMJQGOH-GFCCVEGCSA-N 0 3 386.283 0.987 20 0 GCADHN O=C(CCNC(=O)c1cc(F)ccc1Br)NC[C@@H]1CNCCO1 ZINC000423998665 531019463 /nfs/dbraw/zinc/01/94/63/531019463.db2.gz ZXYTWJLDTZSOLD-NSHDSACASA-N 0 3 388.237 0.813 20 0 GCADHN O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NC[C@@H]1CNCCO1 ZINC000423997522 531019510 /nfs/dbraw/zinc/01/95/10/531019510.db2.gz YLVNAESBPDGUHE-ZDUSSCGKSA-N 0 3 391.287 0.469 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000423990497 531019571 /nfs/dbraw/zinc/01/95/71/531019571.db2.gz KIRUJOGJGHBKEP-RYUDHWBXSA-N 0 3 382.258 0.907 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)cs1 ZINC000527473459 531023069 /nfs/dbraw/zinc/02/30/69/531023069.db2.gz OCNVILKHRXOMCC-CQSZACIVSA-N 0 3 384.527 0.911 20 0 GCADHN COC(=O)c1ncsc1S(=O)(=O)N(C)CCN(C)C1CCN(C)CC1 ZINC000327991286 531023935 /nfs/dbraw/zinc/02/39/35/531023935.db2.gz RXHNACHKXZMNRU-UHFFFAOYSA-N 0 3 390.531 0.576 20 0 GCADHN COC(=O)c1ncsc1S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000327983729 531024425 /nfs/dbraw/zinc/02/44/25/531024425.db2.gz 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GCADHN COc1ccc([C@H](CNc2ncc(S(N)(=O)=O)s2)N(C)C)cc1OC ZINC000443438064 531084894 /nfs/dbraw/zinc/08/48/94/531084894.db2.gz QBXQNZRFMRKHMV-NSHDSACASA-N 0 3 386.499 1.523 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000514950801 531085491 /nfs/dbraw/zinc/08/54/91/531085491.db2.gz PAJOSYICYIZFFK-GXFFZTMASA-N 0 3 385.251 0.494 20 0 GCADHN N[C@@H]1C[C@H]2CN(Cc3cc4c(cc3Br)OCCO4)CCN2C1=O ZINC000515312798 531088290 /nfs/dbraw/zinc/08/82/90/531088290.db2.gz QGAJIQWVDKUXKX-WCQYABFASA-N 0 3 382.258 0.964 20 0 GCADHN CN(C(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CNC1 ZINC000415736969 531091571 /nfs/dbraw/zinc/09/15/71/531091571.db2.gz PEEUNLNPRMBFFE-UHFFFAOYSA-N 0 3 378.230 1.004 20 0 GCADHN CN1CC[C@](O)(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000546569721 531091656 /nfs/dbraw/zinc/09/16/56/531091656.db2.gz PDTORZDCKPYTTO-SJCJKPOMSA-N 0 3 396.285 0.985 20 0 GCADHN O=S(=O)(NCc1cn(C[C@@H]2CCCCC2(F)F)nn1)N1CCNCC1 ZINC000630596569 531091678 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/nfs/dbraw/zinc/18/57/00/531185700.db2.gz XWIUBVCEWOMLBL-RYUDHWBXSA-N 0 3 388.456 0.982 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCc3ccccc3Br)CCN2C1=O ZINC000565668454 531188743 /nfs/dbraw/zinc/18/87/43/531188743.db2.gz ABHMJFLSZJSCTH-GXTWGEPZSA-N 0 3 381.274 0.945 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NCCCS(C)(=O)=O)C1=O ZINC000442781874 531189733 /nfs/dbraw/zinc/18/97/33/531189733.db2.gz OXAYCBQFUCUINB-ZIAGYGMSSA-N 0 3 376.519 0.978 20 0 GCADHN C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000565775004 531190029 /nfs/dbraw/zinc/19/00/29/531190029.db2.gz BNCMNVCDOPDEOM-DTWKUNHWSA-N 0 3 396.922 0.038 20 0 GCADHN CN(Cc1csc(Br)c1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000566091863 531194071 /nfs/dbraw/zinc/19/40/71/531194071.db2.gz KECXJNKXSDTIDR-LLVKDONJSA-N 0 3 389.319 0.570 20 0 GCADHN COc1nc(N2CCN(C(=O)CN3CCCC3)CC2)ncc1Br ZINC000176245952 531195938 /nfs/dbraw/zinc/19/59/38/531195938.db2.gz XARGREFQROUANB-UHFFFAOYSA-N 0 3 384.278 0.992 20 0 GCADHN CN[C@@H](C)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000566472874 531197902 /nfs/dbraw/zinc/19/79/02/531197902.db2.gz AXFUHYBPVXIADN-ONGXEEELSA-N 0 3 378.210 0.755 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000566336762 531197339 /nfs/dbraw/zinc/19/73/39/531197339.db2.gz JJWHLUNNULXFQB-RBSFLKMASA-N 0 3 381.564 0.593 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000359956894 209207765 /nfs/dbraw/zinc/20/77/65/209207765.db2.gz LXCIQRLEVVKBNS-QWRGUYRKSA-N 0 3 386.246 0.751 20 0 GCADHN CN(C)CCOc1cc(C(=O)N2CCO[C@@H](CN3CCN(C)CC3)C2)ccn1 ZINC000359900916 209202470 /nfs/dbraw/zinc/20/24/70/209202470.db2.gz QPKDIOYAJAPKKK-SFHVURJKSA-N 0 3 391.516 0.110 20 0 GCADHN CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735944180 598841149 /nfs/dbraw/zinc/84/11/49/598841149.db2.gz YMMVSAHBXCGPGO-LSDHHAIUSA-N 0 3 398.471 0.926 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736143517 598844728 /nfs/dbraw/zinc/84/47/28/598844728.db2.gz KFEYEQQVRDPREL-NSHDSACASA-N 0 3 398.464 0.472 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736143517 598844729 /nfs/dbraw/zinc/84/47/29/598844729.db2.gz KFEYEQQVRDPREL-NSHDSACASA-N 0 3 398.464 0.472 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736143517 598844730 /nfs/dbraw/zinc/84/47/30/598844730.db2.gz KFEYEQQVRDPREL-NSHDSACASA-N 0 3 398.464 0.472 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736143517 598844731 /nfs/dbraw/zinc/84/47/31/598844731.db2.gz KFEYEQQVRDPREL-NSHDSACASA-N 0 3 398.464 0.472 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000736902964 598863011 /nfs/dbraw/zinc/86/30/11/598863011.db2.gz WWUJVMZTDKBLON-CXAGYDPISA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000736902964 598863013 /nfs/dbraw/zinc/86/30/13/598863013.db2.gz WWUJVMZTDKBLON-CXAGYDPISA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000736902964 598863015 /nfs/dbraw/zinc/86/30/15/598863015.db2.gz WWUJVMZTDKBLON-CXAGYDPISA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000736902964 598863017 /nfs/dbraw/zinc/86/30/17/598863017.db2.gz WWUJVMZTDKBLON-CXAGYDPISA-N 0 3 388.472 0.858 20 0 GCADHN COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737057729 598908503 /nfs/dbraw/zinc/90/85/03/598908503.db2.gz SIDOJJLCYJFLLP-ZDUSSCGKSA-N 0 3 399.455 0.758 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737057729 598908505 /nfs/dbraw/zinc/90/85/05/598908505.db2.gz SIDOJJLCYJFLLP-ZDUSSCGKSA-N 0 3 399.455 0.758 20 0 GCADHN O[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1c(F)cccc1F ZINC000738382474 599011481 /nfs/dbraw/zinc/01/14/81/599011481.db2.gz REPJRLMSECPAAJ-RNCFNFMXSA-N 0 3 376.371 0.706 20 0 GCADHN O[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1c(F)cccc1F ZINC000738382474 599011482 /nfs/dbraw/zinc/01/14/82/599011482.db2.gz REPJRLMSECPAAJ-RNCFNFMXSA-N 0 3 376.371 0.706 20 0 GCADHN C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736858101 599025458 /nfs/dbraw/zinc/02/54/58/599025458.db2.gz WTGXXODXPQKEDH-UHFFFAOYSA-N 0 3 393.835 0.032 20 0 GCADHN C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736858101 599025460 /nfs/dbraw/zinc/02/54/60/599025460.db2.gz WTGXXODXPQKEDH-UHFFFAOYSA-N 0 3 393.835 0.032 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000735560251 599078337 /nfs/dbraw/zinc/07/83/37/599078337.db2.gz CQOBQQSLKFQVCU-HZPDHXFCSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560251 599078339 /nfs/dbraw/zinc/07/83/39/599078339.db2.gz CQOBQQSLKFQVCU-HZPDHXFCSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000735560251 599078342 /nfs/dbraw/zinc/07/83/42/599078342.db2.gz CQOBQQSLKFQVCU-HZPDHXFCSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560251 599078345 /nfs/dbraw/zinc/07/83/45/599078345.db2.gz CQOBQQSLKFQVCU-HZPDHXFCSA-N 0 3 398.515 0.906 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736854167 599079592 /nfs/dbraw/zinc/07/95/92/599079592.db2.gz APNREPAZRBBAGD-KRWDZBQOSA-N 0 3 384.488 0.517 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736854167 599079595 /nfs/dbraw/zinc/07/95/95/599079595.db2.gz APNREPAZRBBAGD-KRWDZBQOSA-N 0 3 384.488 0.517 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)C1 ZINC000736856683 599080444 /nfs/dbraw/zinc/08/04/44/599080444.db2.gz LRPZNWJHQRGLHN-CYBMUJFWSA-N 0 3 390.517 0.579 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)C1 ZINC000736856683 599080448 /nfs/dbraw/zinc/08/04/48/599080448.db2.gz LRPZNWJHQRGLHN-CYBMUJFWSA-N 0 3 390.517 0.579 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)C1 ZINC000736856683 599080451 /nfs/dbraw/zinc/08/04/51/599080451.db2.gz LRPZNWJHQRGLHN-CYBMUJFWSA-N 0 3 390.517 0.579 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)C1 ZINC000736856683 599080453 /nfs/dbraw/zinc/08/04/53/599080453.db2.gz LRPZNWJHQRGLHN-CYBMUJFWSA-N 0 3 390.517 0.579 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC[N@@H+]1C ZINC000736232394 599105856 /nfs/dbraw/zinc/10/58/56/599105856.db2.gz CTYJSJXVXGBBDR-DGCLKSJQSA-N 0 3 381.444 0.847 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC[N@H+]1C ZINC000736232394 599105857 /nfs/dbraw/zinc/10/58/57/599105857.db2.gz CTYJSJXVXGBBDR-DGCLKSJQSA-N 0 3 381.444 0.847 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC[N@@H+]1C ZINC000736232394 599105858 /nfs/dbraw/zinc/10/58/58/599105858.db2.gz CTYJSJXVXGBBDR-DGCLKSJQSA-N 0 3 381.444 0.847 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC[N@H+]1C ZINC000736232394 599105860 /nfs/dbraw/zinc/10/58/60/599105860.db2.gz CTYJSJXVXGBBDR-DGCLKSJQSA-N 0 3 381.444 0.847 20 0 GCADHN O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737839888 599145808 /nfs/dbraw/zinc/14/58/08/599145808.db2.gz WITKFPULQVTDHI-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737839888 599145809 /nfs/dbraw/zinc/14/58/09/599145809.db2.gz WITKFPULQVTDHI-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737839888 599145812 /nfs/dbraw/zinc/14/58/12/599145812.db2.gz WITKFPULQVTDHI-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737839888 599145814 /nfs/dbraw/zinc/14/58/14/599145814.db2.gz WITKFPULQVTDHI-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738391405 599177491 /nfs/dbraw/zinc/17/74/91/599177491.db2.gz WWEHKAXMWNHWFK-JSGCOSHPSA-N 0 3 393.455 0.779 20 0 GCADHN OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738391405 599177494 /nfs/dbraw/zinc/17/74/94/599177494.db2.gz WWEHKAXMWNHWFK-JSGCOSHPSA-N 0 3 393.455 0.779 20 0 GCADHN C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736800259 599282984 /nfs/dbraw/zinc/28/29/84/599282984.db2.gz HMPJOOWNZNGWJZ-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[N@@H+](CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000736800259 599282985 /nfs/dbraw/zinc/28/29/85/599282985.db2.gz HMPJOOWNZNGWJZ-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[N@H+](CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736800259 599282990 /nfs/dbraw/zinc/28/29/90/599282990.db2.gz HMPJOOWNZNGWJZ-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[N@@H+](CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000736800259 599282993 /nfs/dbraw/zinc/28/29/93/599282993.db2.gz HMPJOOWNZNGWJZ-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC1 ZINC000736761042 599283255 /nfs/dbraw/zinc/28/32/55/599283255.db2.gz SYGLNYLTLWVOIM-ZDUSSCGKSA-N 0 3 377.836 0.915 20 0 GCADHN C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC1 ZINC000736761042 599283257 /nfs/dbraw/zinc/28/32/57/599283257.db2.gz SYGLNYLTLWVOIM-ZDUSSCGKSA-N 0 3 377.836 0.915 20 0 GCADHN C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000736769868 599280371 /nfs/dbraw/zinc/28/03/71/599280371.db2.gz UWDCUZAGCGZTBP-UHFFFAOYSA-N 0 3 396.411 0.670 20 0 GCADHN CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821621863 607337546 /nfs/dbraw/zinc/33/75/46/607337546.db2.gz IWZBAIOLMSVPOM-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821621863 607337548 /nfs/dbraw/zinc/33/75/48/607337548.db2.gz IWZBAIOLMSVPOM-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821581181 607343122 /nfs/dbraw/zinc/34/31/22/607343122.db2.gz FAYCBFNPHKNDNI-RYUDHWBXSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821581181 607343124 /nfs/dbraw/zinc/34/31/24/607343124.db2.gz FAYCBFNPHKNDNI-RYUDHWBXSA-N 0 3 375.408 0.933 20 0 GCADHN CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736847050 598239879 /nfs/dbraw/zinc/23/98/79/598239879.db2.gz DPSCNMUCNKPXQC-GFCCVEGCSA-N 0 3 381.444 0.658 20 0 GCADHN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736847050 598239880 /nfs/dbraw/zinc/23/98/80/598239880.db2.gz DPSCNMUCNKPXQC-GFCCVEGCSA-N 0 3 381.444 0.658 20 0 GCADHN CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736847050 598239881 /nfs/dbraw/zinc/23/98/81/598239881.db2.gz DPSCNMUCNKPXQC-GFCCVEGCSA-N 0 3 381.444 0.658 20 0 GCADHN CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736847050 598239882 /nfs/dbraw/zinc/23/98/82/598239882.db2.gz DPSCNMUCNKPXQC-GFCCVEGCSA-N 0 3 381.444 0.658 20 0 GCADHN C[NH+](C)CCCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736768169 598294442 /nfs/dbraw/zinc/29/44/42/598294442.db2.gz XDOYSZZCJQVQIR-UHFFFAOYSA-N 0 3 376.440 0.789 20 0 GCADHN O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000738098775 598328449 /nfs/dbraw/zinc/32/84/49/598328449.db2.gz CJIUJPRKXXAEFX-AWEZNQCLSA-N 0 3 377.424 0.652 20 0 GCADHN O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000738098775 598328451 /nfs/dbraw/zinc/32/84/51/598328451.db2.gz CJIUJPRKXXAEFX-AWEZNQCLSA-N 0 3 377.424 0.652 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000736146287 598348876 /nfs/dbraw/zinc/34/88/76/598348876.db2.gz ZJJRZNQQEIPYCE-UONOGXRCSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000736146287 598348877 /nfs/dbraw/zinc/34/88/77/598348877.db2.gz ZJJRZNQQEIPYCE-UONOGXRCSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000736146287 598348879 /nfs/dbraw/zinc/34/88/79/598348879.db2.gz ZJJRZNQQEIPYCE-UONOGXRCSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000736146287 598348881 /nfs/dbraw/zinc/34/88/81/598348881.db2.gz ZJJRZNQQEIPYCE-UONOGXRCSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736285496 598352425 /nfs/dbraw/zinc/35/24/25/598352425.db2.gz KIDPADCMKCYRNQ-PBHICJAKSA-N 0 3 389.479 0.843 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C(C)C ZINC000736536534 598361829 /nfs/dbraw/zinc/36/18/29/598361829.db2.gz KWWSJFHEFDZWRB-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C(C)C ZINC000736536534 598361831 /nfs/dbraw/zinc/36/18/31/598361831.db2.gz KWWSJFHEFDZWRB-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C(C)C ZINC000736536534 598361833 /nfs/dbraw/zinc/36/18/33/598361833.db2.gz KWWSJFHEFDZWRB-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C(C)C ZINC000736536534 598361835 /nfs/dbraw/zinc/36/18/35/598361835.db2.gz KWWSJFHEFDZWRB-UHFFFAOYSA-N 0 3 387.492 0.824 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736146278 598365675 /nfs/dbraw/zinc/36/56/75/598365675.db2.gz ZIJIIQPHVKPIFQ-RDTXWAMCSA-N 0 3 399.499 0.749 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736146278 598365677 /nfs/dbraw/zinc/36/56/77/598365677.db2.gz ZIJIIQPHVKPIFQ-RDTXWAMCSA-N 0 3 399.499 0.749 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736146278 598365680 /nfs/dbraw/zinc/36/56/80/598365680.db2.gz ZIJIIQPHVKPIFQ-RDTXWAMCSA-N 0 3 399.499 0.749 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736146278 598365681 /nfs/dbraw/zinc/36/56/81/598365681.db2.gz ZIJIIQPHVKPIFQ-RDTXWAMCSA-N 0 3 399.499 0.749 20 0 GCADHN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCCN(c2cccnn2)CC1 ZINC000738386669 598365984 /nfs/dbraw/zinc/36/59/84/598365984.db2.gz NGXGHROMLOYPNK-INIZCTEOSA-N 0 3 396.455 0.609 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736147291 598366121 /nfs/dbraw/zinc/36/61/21/598366121.db2.gz MFXNZFJTMKTHQK-LBPRGKRZSA-N 0 3 393.517 0.891 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736145010 598375415 /nfs/dbraw/zinc/37/54/15/598375415.db2.gz SFZZTDUHNYMBNH-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736145010 598375418 /nfs/dbraw/zinc/37/54/18/598375418.db2.gz SFZZTDUHNYMBNH-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145010 598375420 /nfs/dbraw/zinc/37/54/20/598375420.db2.gz SFZZTDUHNYMBNH-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145010 598375421 /nfs/dbraw/zinc/37/54/21/598375421.db2.gz SFZZTDUHNYMBNH-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN CC(C)(C)[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735618163 598405948 /nfs/dbraw/zinc/40/59/48/598405948.db2.gz KCHNOGYZHLVHCO-UHFFFAOYSA-N 0 3 385.472 0.929 20 0 GCADHN CC(C)(C)[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735618163 598405950 /nfs/dbraw/zinc/40/59/50/598405950.db2.gz KCHNOGYZHLVHCO-UHFFFAOYSA-N 0 3 385.472 0.929 20 0 GCADHN CC(C)(C)[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735618163 598405952 /nfs/dbraw/zinc/40/59/52/598405952.db2.gz KCHNOGYZHLVHCO-UHFFFAOYSA-N 0 3 385.472 0.929 20 0 GCADHN CC(C)(C)[N@H+]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735618163 598405954 /nfs/dbraw/zinc/40/59/54/598405954.db2.gz KCHNOGYZHLVHCO-UHFFFAOYSA-N 0 3 385.472 0.929 20 0 GCADHN COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736980984 598413065 /nfs/dbraw/zinc/41/30/65/598413065.db2.gz JZYUOALZTYGDPX-UHFFFAOYSA-N 0 3 387.444 0.422 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000736860546 598425604 /nfs/dbraw/zinc/42/56/04/598425604.db2.gz SMBHVVSGFNBAQG-INIZCTEOSA-N 0 3 399.499 0.874 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000736860546 598425605 /nfs/dbraw/zinc/42/56/05/598425605.db2.gz SMBHVVSGFNBAQG-INIZCTEOSA-N 0 3 399.499 0.874 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000736860546 598425607 /nfs/dbraw/zinc/42/56/07/598425607.db2.gz SMBHVVSGFNBAQG-INIZCTEOSA-N 0 3 399.499 0.874 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000736860546 598425609 /nfs/dbraw/zinc/42/56/09/598425609.db2.gz SMBHVVSGFNBAQG-INIZCTEOSA-N 0 3 399.499 0.874 20 0 GCADHN C[NH+](C)CCCNC(=S)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736767123 598440945 /nfs/dbraw/zinc/44/09/45/598440945.db2.gz LTEALTZCGQCKSA-UHFFFAOYSA-N 0 3 389.533 0.646 20 0 GCADHN C[NH+](C)CCCNC(=S)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736767123 598440946 /nfs/dbraw/zinc/44/09/46/598440946.db2.gz LTEALTZCGQCKSA-UHFFFAOYSA-N 0 3 389.533 0.646 20 0 GCADHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736247453 598473822 /nfs/dbraw/zinc/47/38/22/598473822.db2.gz DHPIQPDDJKPPSV-OKILXGFUSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736247453 598473824 /nfs/dbraw/zinc/47/38/24/598473824.db2.gz DHPIQPDDJKPPSV-OKILXGFUSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736247453 598473825 /nfs/dbraw/zinc/47/38/25/598473825.db2.gz DHPIQPDDJKPPSV-OKILXGFUSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736247453 598473827 /nfs/dbraw/zinc/47/38/27/598473827.db2.gz DHPIQPDDJKPPSV-OKILXGFUSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@H](CC[NH+](C)C)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735986389 598479322 /nfs/dbraw/zinc/47/93/22/598479322.db2.gz RSRVRGONZAZMPF-CYBMUJFWSA-N 0 3 387.492 0.870 20 0 GCADHN C[C@H](CC[NH+](C)C)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735986389 598479324 /nfs/dbraw/zinc/47/93/24/598479324.db2.gz RSRVRGONZAZMPF-CYBMUJFWSA-N 0 3 387.492 0.870 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000737056697 598485685 /nfs/dbraw/zinc/48/56/85/598485685.db2.gz NFPNPWNVHASUTJ-CQSZACIVSA-N 0 3 399.455 0.901 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736855209 598497520 /nfs/dbraw/zinc/49/75/20/598497520.db2.gz FZNQIYYDSJVOKG-SNVBAGLBSA-N 0 3 377.836 0.917 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736855209 598497522 /nfs/dbraw/zinc/49/75/22/598497522.db2.gz FZNQIYYDSJVOKG-SNVBAGLBSA-N 0 3 377.836 0.917 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736855209 598497525 /nfs/dbraw/zinc/49/75/25/598497525.db2.gz FZNQIYYDSJVOKG-SNVBAGLBSA-N 0 3 377.836 0.917 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736855209 598497526 /nfs/dbraw/zinc/49/75/26/598497526.db2.gz FZNQIYYDSJVOKG-SNVBAGLBSA-N 0 3 377.836 0.917 20 0 GCADHN CC(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCOCC1 ZINC000735709318 598519548 /nfs/dbraw/zinc/51/95/48/598519548.db2.gz QUZGBVAVOOKWDL-DZGCQCFKSA-N 0 3 375.481 0.051 20 0 GCADHN CC(C)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)N1CCOCC1 ZINC000735709318 598519550 /nfs/dbraw/zinc/51/95/50/598519550.db2.gz QUZGBVAVOOKWDL-DZGCQCFKSA-N 0 3 375.481 0.051 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]Cc1ccnc(N3CCCC3)c1)C2 ZINC000738411609 598521799 /nfs/dbraw/zinc/52/17/99/598521799.db2.gz VVFWEEJNJALAOJ-CQSZACIVSA-N 0 3 380.460 0.890 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]Cc1ccnc(N3CCCC3)c1)C2 ZINC000738411609 598521800 /nfs/dbraw/zinc/52/18/00/598521800.db2.gz VVFWEEJNJALAOJ-CQSZACIVSA-N 0 3 380.460 0.890 20 0 GCADHN COCCOc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737015927 598522932 /nfs/dbraw/zinc/52/29/32/598522932.db2.gz RFOXEPARWNIMLI-AWEZNQCLSA-N 0 3 384.444 0.920 20 0 GCADHN COCCOc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737015927 598522934 /nfs/dbraw/zinc/52/29/34/598522934.db2.gz RFOXEPARWNIMLI-AWEZNQCLSA-N 0 3 384.444 0.920 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]C1CCN(Cc3ccccn3)CC1)C2 ZINC000738432758 598523702 /nfs/dbraw/zinc/52/37/02/598523702.db2.gz LLESMLAABPLGSX-AWEZNQCLSA-N 0 3 394.487 0.754 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]C1CCN(Cc3ccccn3)CC1)C2 ZINC000738432758 598523704 /nfs/dbraw/zinc/52/37/04/598523704.db2.gz LLESMLAABPLGSX-AWEZNQCLSA-N 0 3 394.487 0.754 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+][C@H]1CCCN(c3ncccn3)C1)C2 ZINC000738446336 598523885 /nfs/dbraw/zinc/52/38/85/598523885.db2.gz WEVIJFQJPZBSPT-OLZOCXBDSA-N 0 3 381.448 0.154 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+][C@H]1CCCN(c3ncccn3)C1)C2 ZINC000738446336 598523886 /nfs/dbraw/zinc/52/38/86/598523886.db2.gz WEVIJFQJPZBSPT-OLZOCXBDSA-N 0 3 381.448 0.154 20 0 GCADHN Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737390985 598526087 /nfs/dbraw/zinc/52/60/87/598526087.db2.gz VPTSYFQWGJGPFK-CABCVRRESA-N 0 3 398.471 0.751 20 0 GCADHN Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737390985 598526089 /nfs/dbraw/zinc/52/60/89/598526089.db2.gz VPTSYFQWGJGPFK-CABCVRRESA-N 0 3 398.471 0.751 20 0 GCADHN Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737390988 598526185 /nfs/dbraw/zinc/52/61/85/598526185.db2.gz VPTSYFQWGJGPFK-HUUCEWRRSA-N 0 3 398.471 0.751 20 0 GCADHN Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737390988 598526187 /nfs/dbraw/zinc/52/61/87/598526187.db2.gz VPTSYFQWGJGPFK-HUUCEWRRSA-N 0 3 398.471 0.751 20 0 GCADHN CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736557893 598526387 /nfs/dbraw/zinc/52/63/87/598526387.db2.gz DCAPPSRJYMJZAO-HNNXBMFYSA-N 0 3 395.471 0.743 20 0 GCADHN CC(=O)Nc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000735484124 598528423 /nfs/dbraw/zinc/52/84/23/598528423.db2.gz IBWJGIFJGFHMEI-CQSZACIVSA-N 0 3 381.444 0.896 20 0 GCADHN CC(=O)Nc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000735484124 598528425 /nfs/dbraw/zinc/52/84/25/598528425.db2.gz IBWJGIFJGFHMEI-CQSZACIVSA-N 0 3 381.444 0.896 20 0 GCADHN CC(C)(C)OC(=O)NCC(C)(C)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735670385 598528484 /nfs/dbraw/zinc/52/84/84/598528484.db2.gz OOJXATVKQYYNBA-NSHDSACASA-N 0 3 391.480 0.998 20 0 GCADHN CC(C)(C)OC(=O)NCC(C)(C)[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735670385 598528486 /nfs/dbraw/zinc/52/84/86/598528486.db2.gz OOJXATVKQYYNBA-NSHDSACASA-N 0 3 391.480 0.998 20 0 GCADHN COc1cccc(N2CC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)c1 ZINC000737137133 598529874 /nfs/dbraw/zinc/52/98/74/598529874.db2.gz AALKFLFFHUJLPR-UONOGXRCSA-N 0 3 395.471 0.982 20 0 GCADHN COc1cccc(N2CC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)c1 ZINC000737137133 598529876 /nfs/dbraw/zinc/52/98/76/598529876.db2.gz AALKFLFFHUJLPR-UONOGXRCSA-N 0 3 395.471 0.982 20 0 GCADHN C[C@@H](CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NC(=O)OC(C)(C)C ZINC000735987923 598530127 /nfs/dbraw/zinc/53/01/27/598530127.db2.gz YPFVGJABWDPOEC-RYUDHWBXSA-N 0 3 391.480 0.998 20 0 GCADHN C[C@@H](CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)NC(=O)OC(C)(C)C ZINC000735987923 598530129 /nfs/dbraw/zinc/53/01/29/598530129.db2.gz YPFVGJABWDPOEC-RYUDHWBXSA-N 0 3 391.480 0.998 20 0 GCADHN CN(CCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)OC(C)(C)C ZINC000736799282 598530956 /nfs/dbraw/zinc/53/09/56/598530956.db2.gz BDOAKJRCJRZXNT-LBPRGKRZSA-N 0 3 391.480 0.952 20 0 GCADHN CN(CCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(=O)OC(C)(C)C ZINC000736799282 598530957 /nfs/dbraw/zinc/53/09/57/598530957.db2.gz BDOAKJRCJRZXNT-LBPRGKRZSA-N 0 3 391.480 0.952 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CC1(N3CCCC3)CCOCC1)C2 ZINC000738449038 598531759 /nfs/dbraw/zinc/53/17/59/598531759.db2.gz DBOPKNDXTDXKAG-CQSZACIVSA-N 0 3 387.492 0.340 20 0 GCADHN O=C1[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1c1ccccc1 ZINC000738294271 598596911 /nfs/dbraw/zinc/59/69/11/598596911.db2.gz BFHQYYFCTWZJTR-SWLSCSKDSA-N 0 3 379.428 0.500 20 0 GCADHN C[NH+](C)[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736756778 598600270 /nfs/dbraw/zinc/60/02/70/598600270.db2.gz LQKBKODULFHTKW-KDOFPFPSSA-N 0 3 384.444 0.227 20 0 GCADHN O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000823065965 607360944 /nfs/dbraw/zinc/36/09/44/607360944.db2.gz GSWQCGNKBMMAEI-CQSZACIVSA-N 0 3 376.486 0.922 20 0 GCADHN O=C(C[NH2+]C1(CO)CCOCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737892107 598620401 /nfs/dbraw/zinc/62/04/01/598620401.db2.gz UMKVXZQNZOYBFI-UHFFFAOYSA-N 0 3 398.427 0.122 20 0 GCADHN C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736764380 598638715 /nfs/dbraw/zinc/63/87/15/598638715.db2.gz QBTPTFBHYOPHIQ-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736764380 598638717 /nfs/dbraw/zinc/63/87/17/598638717.db2.gz QBTPTFBHYOPHIQ-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735873931 598639402 /nfs/dbraw/zinc/63/94/02/598639402.db2.gz BUZFXEVQFXKZHB-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735873931 598639404 /nfs/dbraw/zinc/63/94/04/598639404.db2.gz BUZFXEVQFXKZHB-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735873931 598639405 /nfs/dbraw/zinc/63/94/05/598639405.db2.gz BUZFXEVQFXKZHB-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735873931 598639407 /nfs/dbraw/zinc/63/94/07/598639407.db2.gz BUZFXEVQFXKZHB-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN O=C(C[NH+]1CCCC1)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737875648 598673540 /nfs/dbraw/zinc/67/35/40/598673540.db2.gz FGTIOXOHGMXMTO-UHFFFAOYSA-N 0 3 382.881 0.721 20 0 GCADHN COC(=O)CNC(=O)CC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736931044 598701737 /nfs/dbraw/zinc/70/17/37/598701737.db2.gz MAFUYKSUSJJRCI-UHFFFAOYSA-N 0 3 388.428 0.389 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736568335 598716942 /nfs/dbraw/zinc/71/69/42/598716942.db2.gz AIRKLCZJZKMAGT-INIZCTEOSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736568335 598716943 /nfs/dbraw/zinc/71/69/43/598716943.db2.gz AIRKLCZJZKMAGT-INIZCTEOSA-N 0 3 399.503 0.968 20 0 GCADHN COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737007828 598732316 /nfs/dbraw/zinc/73/23/16/598732316.db2.gz PJIOJVCFKQJFLU-AWEZNQCLSA-N 0 3 377.424 0.916 20 0 GCADHN COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737007828 598732318 /nfs/dbraw/zinc/73/23/18/598732318.db2.gz PJIOJVCFKQJFLU-AWEZNQCLSA-N 0 3 377.424 0.916 20 0 GCADHN COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737007232 598732484 /nfs/dbraw/zinc/73/24/84/598732484.db2.gz LJWFDIHZVQFKJY-AWEZNQCLSA-N 0 3 389.464 0.084 20 0 GCADHN COCC[N@H+]1CCC[C@H]1CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737007232 598732485 /nfs/dbraw/zinc/73/24/85/598732485.db2.gz LJWFDIHZVQFKJY-AWEZNQCLSA-N 0 3 389.464 0.084 20 0 GCADHN CCCC[N@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736453511 598784175 /nfs/dbraw/zinc/78/41/75/598784175.db2.gz OUVJRIOZNXCZAK-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCCC[N@@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736453511 598784177 /nfs/dbraw/zinc/78/41/77/598784177.db2.gz OUVJRIOZNXCZAK-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCCC[N@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736453511 598784178 /nfs/dbraw/zinc/78/41/78/598784178.db2.gz OUVJRIOZNXCZAK-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCCC[N@@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736453511 598784180 /nfs/dbraw/zinc/78/41/80/598784180.db2.gz OUVJRIOZNXCZAK-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736130637 598787372 /nfs/dbraw/zinc/78/73/72/598787372.db2.gz HUVQWGIPBWHCPP-ZJUUUORDSA-N 0 3 399.484 0.940 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](CCOc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C)CC1 ZINC000735465212 599297983 /nfs/dbraw/zinc/29/79/83/599297983.db2.gz HDKFDGKTCWCOJL-HNAYVOBHSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](CCOc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C)CC1 ZINC000735465212 599297985 /nfs/dbraw/zinc/29/79/85/599297985.db2.gz HDKFDGKTCWCOJL-HNAYVOBHSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)[C@H](C)C1 ZINC000735465354 599300333 /nfs/dbraw/zinc/30/03/33/599300333.db2.gz JFTGGQUTUVODQG-OAUYIBNBSA-N 0 3 383.456 0.819 20 0 GCADHN C[C@H](CNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)CN1CCN(C)CC1 ZINC000820275780 599353480 /nfs/dbraw/zinc/35/34/80/599353480.db2.gz RREDLONGUAQIIR-CQSZACIVSA-N 0 3 393.517 0.170 20 0 GCADHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821691365 599444075 /nfs/dbraw/zinc/44/40/75/599444075.db2.gz ROVOJUOLXNGHEB-OAHLLOKOSA-N 0 3 389.460 0.656 20 0 GCADHN COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821691365 599444076 /nfs/dbraw/zinc/44/40/76/599444076.db2.gz ROVOJUOLXNGHEB-OAHLLOKOSA-N 0 3 389.460 0.656 20 0 GCADHN C[NH+](C)C1(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCOCC1 ZINC000821581429 599444162 /nfs/dbraw/zinc/44/41/62/599444162.db2.gz KZUGFFBYEBMZJU-UHFFFAOYSA-N 0 3 377.424 0.916 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895743 599567786 /nfs/dbraw/zinc/56/77/86/599567786.db2.gz WSWVALBHHSBCJY-UHFFFAOYSA-N 0 3 391.501 0.969 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895743 599567787 /nfs/dbraw/zinc/56/77/87/599567787.db2.gz WSWVALBHHSBCJY-UHFFFAOYSA-N 0 3 391.501 0.969 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895743 599567788 /nfs/dbraw/zinc/56/77/88/599567788.db2.gz WSWVALBHHSBCJY-UHFFFAOYSA-N 0 3 391.501 0.969 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895743 599567789 /nfs/dbraw/zinc/56/77/89/599567789.db2.gz WSWVALBHHSBCJY-UHFFFAOYSA-N 0 3 391.501 0.969 20 0 GCADHN C[N@H+](CCO)C1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000821602651 599574014 /nfs/dbraw/zinc/57/40/14/599574014.db2.gz MQVGQFFYSNPNJM-UHFFFAOYSA-N 0 3 384.444 0.805 20 0 GCADHN C[N@@H+](CCO)C1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000821602651 599574017 /nfs/dbraw/zinc/57/40/17/599574017.db2.gz MQVGQFFYSNPNJM-UHFFFAOYSA-N 0 3 384.444 0.805 20 0 GCADHN C[N@H+](CCO)C1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000821602651 599574020 /nfs/dbraw/zinc/57/40/20/599574020.db2.gz MQVGQFFYSNPNJM-UHFFFAOYSA-N 0 3 384.444 0.805 20 0 GCADHN C[N@@H+](CCO)C1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000821602651 599574023 /nfs/dbraw/zinc/57/40/23/599574023.db2.gz MQVGQFFYSNPNJM-UHFFFAOYSA-N 0 3 384.444 0.805 20 0 GCADHN C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000736224478 599580104 /nfs/dbraw/zinc/58/01/04/599580104.db2.gz SEGQRKCIGOTJOR-DNVCBOLYSA-N 0 3 396.455 0.371 20 0 GCADHN C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000736224478 599580106 /nfs/dbraw/zinc/58/01/06/599580106.db2.gz SEGQRKCIGOTJOR-DNVCBOLYSA-N 0 3 396.455 0.371 20 0 GCADHN O=C1CN(CN2CC[N@@H+]3CCC[C@@H]3C2)C(=O)N1Cc1ccccc1-c1nnn[n-]1 ZINC000738308357 599580494 /nfs/dbraw/zinc/58/04/94/599580494.db2.gz ZEOCLCNGUBWYMA-OAHLLOKOSA-N 0 3 396.455 0.368 20 0 GCADHN O=C1CN(CN2CC[N@H+]3CCC[C@@H]3C2)C(=O)N1Cc1ccccc1-c1nnn[n-]1 ZINC000738308357 599580496 /nfs/dbraw/zinc/58/04/96/599580496.db2.gz ZEOCLCNGUBWYMA-OAHLLOKOSA-N 0 3 396.455 0.368 20 0 GCADHN O=C1CN(CN2CC[N@@H+]3CCC[C@@H]3C2)C(=O)N1Cc1ccccc1-c1nn[n-]n1 ZINC000738308357 599580499 /nfs/dbraw/zinc/58/04/99/599580499.db2.gz ZEOCLCNGUBWYMA-OAHLLOKOSA-N 0 3 396.455 0.368 20 0 GCADHN O=C1CN(CN2CC[N@H+]3CCC[C@@H]3C2)C(=O)N1Cc1ccccc1-c1nn[n-]n1 ZINC000738308357 599580502 /nfs/dbraw/zinc/58/05/02/599580502.db2.gz ZEOCLCNGUBWYMA-OAHLLOKOSA-N 0 3 396.455 0.368 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736758695 599581167 /nfs/dbraw/zinc/58/11/67/599581167.db2.gz IMTHYQBOSMMOCQ-HNNXBMFYSA-N 0 3 398.471 0.472 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736758695 599581169 /nfs/dbraw/zinc/58/11/69/599581169.db2.gz IMTHYQBOSMMOCQ-HNNXBMFYSA-N 0 3 398.471 0.472 20 0 GCADHN C[NH+](C)C[C@H]1CCN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736758696 599581519 /nfs/dbraw/zinc/58/15/19/599581519.db2.gz IMTHYQBOSMMOCQ-OAHLLOKOSA-N 0 3 398.471 0.472 20 0 GCADHN C[NH+](C)C[C@H]1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736758696 599581520 /nfs/dbraw/zinc/58/15/20/599581520.db2.gz IMTHYQBOSMMOCQ-OAHLLOKOSA-N 0 3 398.471 0.472 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000823696281 599586222 /nfs/dbraw/zinc/58/62/22/599586222.db2.gz CDBOFTWYFVCLPH-IAGOWNOFSA-N 0 3 388.472 0.403 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000823696281 599586223 /nfs/dbraw/zinc/58/62/23/599586223.db2.gz CDBOFTWYFVCLPH-IAGOWNOFSA-N 0 3 388.472 0.403 20 0 GCADHN COCC[N@H+](CCO)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736995153 599587095 /nfs/dbraw/zinc/58/70/95/599587095.db2.gz OERIIEHLIPEHCN-UHFFFAOYSA-N 0 3 380.474 0.686 20 0 GCADHN COCC[N@@H+](CCO)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736995153 599587098 /nfs/dbraw/zinc/58/70/98/599587098.db2.gz OERIIEHLIPEHCN-UHFFFAOYSA-N 0 3 380.474 0.686 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[NH+](C)C ZINC000820259933 599598532 /nfs/dbraw/zinc/59/85/32/599598532.db2.gz DFNOMZCAXUYFQO-MRVPVSSYSA-N 0 3 385.350 0.890 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[NH+](C)C ZINC000820259933 599598533 /nfs/dbraw/zinc/59/85/33/599598533.db2.gz DFNOMZCAXUYFQO-MRVPVSSYSA-N 0 3 385.350 0.890 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nnn[n-]1 ZINC000826193742 607508998 /nfs/dbraw/zinc/50/89/98/607508998.db2.gz NMLYKYQYPACATC-RDTXWAMCSA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@H+]2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nnn[n-]1 ZINC000826193742 607508999 /nfs/dbraw/zinc/50/89/99/607508999.db2.gz NMLYKYQYPACATC-RDTXWAMCSA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nn[n-]n1 ZINC000826193742 607509000 /nfs/dbraw/zinc/50/90/00/607509000.db2.gz NMLYKYQYPACATC-RDTXWAMCSA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@H+]2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nn[n-]n1 ZINC000826193742 607509001 /nfs/dbraw/zinc/50/90/01/607509001.db2.gz NMLYKYQYPACATC-RDTXWAMCSA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)cc1-c1nnn[n-]1 ZINC000826194730 607513656 /nfs/dbraw/zinc/51/36/56/607513656.db2.gz UOSBWQJAPBSASG-XIKOKIGWSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)cc1-c1nnn[n-]1 ZINC000826194730 607513658 /nfs/dbraw/zinc/51/36/58/607513658.db2.gz UOSBWQJAPBSASG-XIKOKIGWSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)cc1-c1nn[n-]n1 ZINC000826194730 607513659 /nfs/dbraw/zinc/51/36/59/607513659.db2.gz UOSBWQJAPBSASG-XIKOKIGWSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)cc1-c1nn[n-]n1 ZINC000826194730 607513661 /nfs/dbraw/zinc/51/36/61/607513661.db2.gz UOSBWQJAPBSASG-XIKOKIGWSA-N 0 3 385.428 0.685 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825848446 607524756 /nfs/dbraw/zinc/52/47/56/607524756.db2.gz CTLVKWPJJMYPLS-ZACQAIPSSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825848446 607524758 /nfs/dbraw/zinc/52/47/58/607524758.db2.gz CTLVKWPJJMYPLS-ZACQAIPSSA-N 0 3 385.472 0.989 20 0 GCADHN COC(=O)[C@@H](O)C1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826111428 607525185 /nfs/dbraw/zinc/52/51/85/607525185.db2.gz FFCJXJIWZRXZDU-INIZCTEOSA-N 0 3 375.429 0.882 20 0 GCADHN COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826112208 607525933 /nfs/dbraw/zinc/52/59/33/607525933.db2.gz VCSBJFZMMAYYAA-INIZCTEOSA-N 0 3 388.428 0.441 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826301344 607535471 /nfs/dbraw/zinc/53/54/71/607535471.db2.gz BKCWTLYXBQCXBY-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826301344 607535473 /nfs/dbraw/zinc/53/54/73/607535473.db2.gz BKCWTLYXBQCXBY-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826301344 607535475 /nfs/dbraw/zinc/53/54/75/607535475.db2.gz BKCWTLYXBQCXBY-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@H+](C)C[C@@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826301344 607535477 /nfs/dbraw/zinc/53/54/77/607535477.db2.gz BKCWTLYXBQCXBY-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN COc1ccc(CNC(=O)NCC2([NH+](C)C)CCOCC2)cc1-c1nnn[n-]1 ZINC000826199632 607566866 /nfs/dbraw/zinc/56/68/66/607566866.db2.gz GNGYTEIMEFYTTH-UHFFFAOYSA-N 0 3 389.460 0.785 20 0 GCADHN COc1ccc(CNC(=O)NCC2([NH+](C)C)CCOCC2)cc1-c1nn[n-]n1 ZINC000826199632 607566868 /nfs/dbraw/zinc/56/68/68/607566868.db2.gz GNGYTEIMEFYTTH-UHFFFAOYSA-N 0 3 389.460 0.785 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826157777 607567305 /nfs/dbraw/zinc/56/73/05/607567305.db2.gz LJIXZWRQGJQQDT-UHFFFAOYSA-N 0 3 377.449 0.643 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826157777 607567307 /nfs/dbraw/zinc/56/73/07/607567307.db2.gz LJIXZWRQGJQQDT-UHFFFAOYSA-N 0 3 377.449 0.643 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826157777 607567309 /nfs/dbraw/zinc/56/73/09/607567309.db2.gz LJIXZWRQGJQQDT-UHFFFAOYSA-N 0 3 377.449 0.643 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826157777 607567311 /nfs/dbraw/zinc/56/73/11/607567311.db2.gz LJIXZWRQGJQQDT-UHFFFAOYSA-N 0 3 377.449 0.643 20 0 GCADHN C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000825860302 607618335 /nfs/dbraw/zinc/61/83/35/607618335.db2.gz PGVNAAUXESTPCA-NSHDSACASA-N 0 3 386.865 0.471 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824708570 607631947 /nfs/dbraw/zinc/63/19/47/607631947.db2.gz YVCKRYGVJYAOMG-ZDUSSCGKSA-N 0 3 394.501 0.580 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000826255828 607633720 /nfs/dbraw/zinc/63/37/20/607633720.db2.gz LSWJJFMHIKGSPP-HNNXBMFYSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000826255828 607633721 /nfs/dbraw/zinc/63/37/21/607633721.db2.gz LSWJJFMHIKGSPP-HNNXBMFYSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000826255828 607633723 /nfs/dbraw/zinc/63/37/23/607633723.db2.gz LSWJJFMHIKGSPP-HNNXBMFYSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000826255828 607633725 /nfs/dbraw/zinc/63/37/25/607633725.db2.gz LSWJJFMHIKGSPP-HNNXBMFYSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1-c1nnn[n-]1 ZINC000826303637 607633790 /nfs/dbraw/zinc/63/37/90/607633790.db2.gz XZFXAFFGNCWTDK-AWEZNQCLSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1-c1nnn[n-]1 ZINC000826303637 607633792 /nfs/dbraw/zinc/63/37/92/607633792.db2.gz XZFXAFFGNCWTDK-AWEZNQCLSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1-c1nn[n-]n1 ZINC000826303637 607633794 /nfs/dbraw/zinc/63/37/94/607633794.db2.gz XZFXAFFGNCWTDK-AWEZNQCLSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1-c1nn[n-]n1 ZINC000826303637 607633795 /nfs/dbraw/zinc/63/37/95/607633795.db2.gz XZFXAFFGNCWTDK-AWEZNQCLSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000826255829 607633977 /nfs/dbraw/zinc/63/39/77/607633977.db2.gz LSWJJFMHIKGSPP-OAHLLOKOSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000826255829 607633978 /nfs/dbraw/zinc/63/39/78/607633978.db2.gz LSWJJFMHIKGSPP-OAHLLOKOSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000826255829 607633979 /nfs/dbraw/zinc/63/39/79/607633979.db2.gz LSWJJFMHIKGSPP-OAHLLOKOSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000826255829 607633980 /nfs/dbraw/zinc/63/39/80/607633980.db2.gz LSWJJFMHIKGSPP-OAHLLOKOSA-N 0 3 394.501 0.690 20 0 GCADHN O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823206147 606057742 /nfs/dbraw/zinc/05/77/42/606057742.db2.gz LWOFZNQDZONKOB-AWEZNQCLSA-N 0 3 385.476 0.801 20 0 GCADHN O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823206147 606057747 /nfs/dbraw/zinc/05/77/47/606057747.db2.gz LWOFZNQDZONKOB-AWEZNQCLSA-N 0 3 385.476 0.801 20 0 GCADHN C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821582910 606126470 /nfs/dbraw/zinc/12/64/70/606126470.db2.gz BSPIUFAZQBFIJD-CQSZACIVSA-N 0 3 381.444 0.801 20 0 GCADHN C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821582910 606126472 /nfs/dbraw/zinc/12/64/72/606126472.db2.gz BSPIUFAZQBFIJD-CQSZACIVSA-N 0 3 381.444 0.801 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820126608 606144649 /nfs/dbraw/zinc/14/46/49/606144649.db2.gz BAGHJGMDXSDUGW-UHFFFAOYSA-N 0 3 386.456 0.941 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)COC(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820126608 606144651 /nfs/dbraw/zinc/14/46/51/606144651.db2.gz BAGHJGMDXSDUGW-UHFFFAOYSA-N 0 3 386.456 0.941 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000821189757 606144692 /nfs/dbraw/zinc/14/46/92/606144692.db2.gz SKDJHEYRUHZFNV-AWEZNQCLSA-N 0 3 394.501 0.988 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000821189757 606144694 /nfs/dbraw/zinc/14/46/94/606144694.db2.gz SKDJHEYRUHZFNV-AWEZNQCLSA-N 0 3 394.501 0.988 20 0 GCADHN CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000820032197 606151644 /nfs/dbraw/zinc/15/16/44/606151644.db2.gz LVQYOMOAJYRZBB-MRXNPFEDSA-N 0 3 388.472 0.843 20 0 GCADHN CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000820032197 606151646 /nfs/dbraw/zinc/15/16/46/606151646.db2.gz LVQYOMOAJYRZBB-MRXNPFEDSA-N 0 3 388.472 0.843 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821254590 606169111 /nfs/dbraw/zinc/16/91/11/606169111.db2.gz NFNKHBJXPNCULQ-GFCCVEGCSA-N 0 3 375.408 0.887 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821254590 606169112 /nfs/dbraw/zinc/16/91/12/606169112.db2.gz NFNKHBJXPNCULQ-GFCCVEGCSA-N 0 3 375.408 0.887 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)CC2 ZINC000821509271 606306418 /nfs/dbraw/zinc/30/64/18/606306418.db2.gz FGLOATCETRPYDC-JQWIXIFHSA-N 0 3 399.484 0.792 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)CC2 ZINC000821509271 606306420 /nfs/dbraw/zinc/30/64/20/606306420.db2.gz FGLOATCETRPYDC-JQWIXIFHSA-N 0 3 399.484 0.792 20 0 GCADHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)CC2 ZINC000822463439 606307292 /nfs/dbraw/zinc/30/72/92/606307292.db2.gz RXYNUSHAFVNIJY-CMPLNLGQSA-N 0 3 385.457 0.538 20 0 GCADHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)CC2 ZINC000822463439 606307293 /nfs/dbraw/zinc/30/72/93/606307293.db2.gz RXYNUSHAFVNIJY-CMPLNLGQSA-N 0 3 385.457 0.538 20 0 GCADHN CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)[C@H](C)C1 ZINC000819789619 606309148 /nfs/dbraw/zinc/30/91/48/606309148.db2.gz VVNMBQDQJAIJQY-SWHYSGLUSA-N 0 3 389.485 0.880 20 0 GCADHN CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)[C@H](C)C1 ZINC000819789617 606309316 /nfs/dbraw/zinc/30/93/16/606309316.db2.gz VVNMBQDQJAIJQY-DDTOSNHZSA-N 0 3 389.485 0.880 20 0 GCADHN C[NH+](C)[C@]1(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)CCSC1 ZINC000821581539 606329794 /nfs/dbraw/zinc/32/97/94/606329794.db2.gz ODWMBEVMTJGTOE-INIZCTEOSA-N 0 3 391.505 0.410 20 0 GCADHN C[NH+](C)[C@]1(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)CCSC1 ZINC000821581539 606329796 /nfs/dbraw/zinc/32/97/96/606329796.db2.gz ODWMBEVMTJGTOE-INIZCTEOSA-N 0 3 391.505 0.410 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822860387 606347894 /nfs/dbraw/zinc/34/78/94/606347894.db2.gz TUZDZCYJARGMFD-NSHDSACASA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822860387 606347895 /nfs/dbraw/zinc/34/78/95/606347895.db2.gz TUZDZCYJARGMFD-NSHDSACASA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822860387 606347896 /nfs/dbraw/zinc/34/78/96/606347896.db2.gz TUZDZCYJARGMFD-NSHDSACASA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822860387 606347897 /nfs/dbraw/zinc/34/78/97/606347897.db2.gz TUZDZCYJARGMFD-NSHDSACASA-N 0 3 390.423 0.715 20 0 GCADHN CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821109688 606398216 /nfs/dbraw/zinc/39/82/16/606398216.db2.gz MQQOYTSBKRJOTR-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821109688 606398218 /nfs/dbraw/zinc/39/82/18/606398218.db2.gz MQQOYTSBKRJOTR-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821109688 606398220 /nfs/dbraw/zinc/39/82/20/606398220.db2.gz MQQOYTSBKRJOTR-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821109688 606398222 /nfs/dbraw/zinc/39/82/22/606398222.db2.gz MQQOYTSBKRJOTR-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823337004 606403633 /nfs/dbraw/zinc/40/36/33/606403633.db2.gz FBHQCJLVADLPIU-GFCCVEGCSA-N 0 3 387.419 0.889 20 0 GCADHN O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823337004 606403634 /nfs/dbraw/zinc/40/36/34/606403634.db2.gz FBHQCJLVADLPIU-GFCCVEGCSA-N 0 3 387.419 0.889 20 0 GCADHN O=C(CC[N@H+]1C[C@H](O)C[C@H](O)C1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822968959 606508028 /nfs/dbraw/zinc/50/80/28/606508028.db2.gz FSXGFTYSEPCHBU-AOOOYVTPSA-N 0 3 378.458 0.173 20 0 GCADHN O=C(CC[N@@H+]1C[C@H](O)C[C@H](O)C1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822968959 606508030 /nfs/dbraw/zinc/50/80/30/606508030.db2.gz FSXGFTYSEPCHBU-AOOOYVTPSA-N 0 3 378.458 0.173 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822859668 606546086 /nfs/dbraw/zinc/54/60/86/606546086.db2.gz HYHGQHULVGFQKN-NSHDSACASA-N 0 3 375.458 0.483 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822859668 606546088 /nfs/dbraw/zinc/54/60/88/606546088.db2.gz HYHGQHULVGFQKN-NSHDSACASA-N 0 3 375.458 0.483 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000821581049 606603595 /nfs/dbraw/zinc/60/35/95/606603595.db2.gz BGUURWNNUVMLAJ-HOTGVXAUSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821581049 606603596 /nfs/dbraw/zinc/60/35/96/606603596.db2.gz BGUURWNNUVMLAJ-HOTGVXAUSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000821581874 606603950 /nfs/dbraw/zinc/60/39/50/606603950.db2.gz WXXVUHZXUGBDKH-HZPDHXFCSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821581874 606603952 /nfs/dbraw/zinc/60/39/52/606603952.db2.gz WXXVUHZXUGBDKH-HZPDHXFCSA-N 0 3 399.503 0.966 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000819876946 606622883 /nfs/dbraw/zinc/62/28/83/606622883.db2.gz KWAXFDLSUZNCPD-CABCVRRESA-N 0 3 385.472 0.848 20 0 GCADHN CNS(=O)(=O)C[C@@H]1CCCN1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821636181 606623624 /nfs/dbraw/zinc/62/36/24/606623624.db2.gz IFAOZNDLOBDPFX-AWEZNQCLSA-N 0 3 380.474 0.649 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821449760 606629608 /nfs/dbraw/zinc/62/96/08/606629608.db2.gz XLJOEGFFVSGZIX-OAZKAUPRSA-N 0 3 378.506 0.774 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821449760 606629609 /nfs/dbraw/zinc/62/96/09/606629609.db2.gz XLJOEGFFVSGZIX-OAZKAUPRSA-N 0 3 378.506 0.774 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821449759 606630050 /nfs/dbraw/zinc/63/00/50/606630050.db2.gz XLJOEGFFVSGZIX-GMZDQSNGSA-N 0 3 378.506 0.774 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821449759 606630051 /nfs/dbraw/zinc/63/00/51/606630051.db2.gz XLJOEGFFVSGZIX-GMZDQSNGSA-N 0 3 378.506 0.774 20 0 GCADHN COc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1-c1nnn[n-]1 ZINC000821810287 606635153 /nfs/dbraw/zinc/63/51/53/606635153.db2.gz XZZPEWFCYUCKJS-UHFFFAOYSA-N 0 3 392.485 0.922 20 0 GCADHN COc1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)cc1-c1nn[n-]n1 ZINC000821810287 606635154 /nfs/dbraw/zinc/63/51/54/606635154.db2.gz XZZPEWFCYUCKJS-UHFFFAOYSA-N 0 3 392.485 0.922 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822859601 606678548 /nfs/dbraw/zinc/67/85/48/606678548.db2.gz HKZHRGHWOXLVKF-JTQLQIEISA-N 0 3 393.398 0.462 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822859601 606678549 /nfs/dbraw/zinc/67/85/49/606678549.db2.gz HKZHRGHWOXLVKF-JTQLQIEISA-N 0 3 393.398 0.462 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822859601 606678550 /nfs/dbraw/zinc/67/85/50/606678550.db2.gz HKZHRGHWOXLVKF-JTQLQIEISA-N 0 3 393.398 0.462 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822859601 606678551 /nfs/dbraw/zinc/67/85/51/606678551.db2.gz HKZHRGHWOXLVKF-JTQLQIEISA-N 0 3 393.398 0.462 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821239400 606679195 /nfs/dbraw/zinc/67/91/95/606679195.db2.gz BELVANUZAPBMIU-UKRRQHHQSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821239400 606679196 /nfs/dbraw/zinc/67/91/96/606679196.db2.gz BELVANUZAPBMIU-UKRRQHHQSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821239400 606679197 /nfs/dbraw/zinc/67/91/97/606679197.db2.gz BELVANUZAPBMIU-UKRRQHHQSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821239400 606679198 /nfs/dbraw/zinc/67/91/98/606679198.db2.gz BELVANUZAPBMIU-UKRRQHHQSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000821239439 606694602 /nfs/dbraw/zinc/69/46/02/606694602.db2.gz BLGGVHNVMWCQBX-IAQYHMDHSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000821239439 606694603 /nfs/dbraw/zinc/69/46/03/606694603.db2.gz BLGGVHNVMWCQBX-IAQYHMDHSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000821239439 606694604 /nfs/dbraw/zinc/69/46/04/606694604.db2.gz BLGGVHNVMWCQBX-IAQYHMDHSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000821239439 606694605 /nfs/dbraw/zinc/69/46/05/606694605.db2.gz BLGGVHNVMWCQBX-IAQYHMDHSA-N 0 3 381.444 0.705 20 0 GCADHN C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820716566 606699399 /nfs/dbraw/zinc/69/93/99/606699399.db2.gz JRPJHQVWFNGJQG-GFCCVEGCSA-N 0 3 375.481 0.683 20 0 GCADHN C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820716566 606699401 /nfs/dbraw/zinc/69/94/01/606699401.db2.gz JRPJHQVWFNGJQG-GFCCVEGCSA-N 0 3 375.481 0.683 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000822637405 606718544 /nfs/dbraw/zinc/71/85/44/606718544.db2.gz QCBSFEWOXNRZDG-DLBZAZTESA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000822637405 606718546 /nfs/dbraw/zinc/71/85/46/606718546.db2.gz QCBSFEWOXNRZDG-DLBZAZTESA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000822637405 606718547 /nfs/dbraw/zinc/71/85/47/606718547.db2.gz QCBSFEWOXNRZDG-DLBZAZTESA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000822637405 606718549 /nfs/dbraw/zinc/71/85/49/606718549.db2.gz QCBSFEWOXNRZDG-DLBZAZTESA-N 0 3 395.467 0.818 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H]1CN(CC)C[C@H]1C ZINC000821401261 606750511 /nfs/dbraw/zinc/75/05/11/606750511.db2.gz UDMLEUULMHFBLV-RISCZKNCSA-N 0 3 387.444 0.660 20 0 GCADHN COC(=O)CC1([NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000821659017 606761498 /nfs/dbraw/zinc/76/14/98/606761498.db2.gz OXSXDYHTMUKYQZ-CQSZACIVSA-N 0 3 391.428 0.308 20 0 GCADHN C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C[C@@H]1[NH+](C)C ZINC000820760051 606768961 /nfs/dbraw/zinc/76/89/61/606768961.db2.gz PERDGTSRHLKGHF-CJNGLKHVSA-N 0 3 398.471 0.470 20 0 GCADHN COc1ccccc1N1CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821897772 606774155 /nfs/dbraw/zinc/77/41/55/606774155.db2.gz KJXHCDUWPWEMOR-UONOGXRCSA-N 0 3 395.471 0.982 20 0 GCADHN COc1ccccc1N1CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821897772 606774157 /nfs/dbraw/zinc/77/41/57/606774157.db2.gz KJXHCDUWPWEMOR-UONOGXRCSA-N 0 3 395.471 0.982 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000821400570 606837517 /nfs/dbraw/zinc/83/75/17/606837517.db2.gz LPNSIFLIBHLTPF-BXUZGUMPSA-N 0 3 387.444 0.612 20 0 GCADHN C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000820420698 606843840 /nfs/dbraw/zinc/84/38/40/606843840.db2.gz VSDKSPFVOWYPLZ-ZBEGNZNMSA-N 0 3 388.453 0.898 20 0 GCADHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820093012 606856404 /nfs/dbraw/zinc/85/64/04/606856404.db2.gz RGGZIZFOIMOUNU-CQSZACIVSA-N 0 3 385.472 0.691 20 0 GCADHN CC(C)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820093012 606856406 /nfs/dbraw/zinc/85/64/06/606856406.db2.gz RGGZIZFOIMOUNU-CQSZACIVSA-N 0 3 385.472 0.691 20 0 GCADHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820093012 606856408 /nfs/dbraw/zinc/85/64/08/606856408.db2.gz RGGZIZFOIMOUNU-CQSZACIVSA-N 0 3 385.472 0.691 20 0 GCADHN CC(C)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820093012 606856410 /nfs/dbraw/zinc/85/64/10/606856410.db2.gz RGGZIZFOIMOUNU-CQSZACIVSA-N 0 3 385.472 0.691 20 0 GCADHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820093011 606856500 /nfs/dbraw/zinc/85/65/00/606856500.db2.gz RGGZIZFOIMOUNU-AWEZNQCLSA-N 0 3 385.472 0.691 20 0 GCADHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820093011 606856502 /nfs/dbraw/zinc/85/65/02/606856502.db2.gz RGGZIZFOIMOUNU-AWEZNQCLSA-N 0 3 385.472 0.691 20 0 GCADHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820093011 606856504 /nfs/dbraw/zinc/85/65/04/606856504.db2.gz RGGZIZFOIMOUNU-AWEZNQCLSA-N 0 3 385.472 0.691 20 0 GCADHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820093011 606856506 /nfs/dbraw/zinc/85/65/06/606856506.db2.gz RGGZIZFOIMOUNU-AWEZNQCLSA-N 0 3 385.472 0.691 20 0 GCADHN O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCOCC1 ZINC000822917075 606884134 /nfs/dbraw/zinc/88/41/34/606884134.db2.gz MUQLTDQVXDLGFE-SJORKVTESA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCOCC1 ZINC000822917075 606884136 /nfs/dbraw/zinc/88/41/36/606884136.db2.gz MUQLTDQVXDLGFE-SJORKVTESA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCOCC1 ZINC000822917075 606884138 /nfs/dbraw/zinc/88/41/38/606884138.db2.gz MUQLTDQVXDLGFE-SJORKVTESA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@@H]1CCC[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCOCC1 ZINC000822917075 606884139 /nfs/dbraw/zinc/88/41/39/606884139.db2.gz MUQLTDQVXDLGFE-SJORKVTESA-N 0 3 386.456 0.471 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000821400220 606884898 /nfs/dbraw/zinc/88/48/98/606884898.db2.gz HJRMGWQUVRUHKO-ABAIWWIYSA-N 0 3 399.455 0.803 20 0 GCADHN NC(=O)c1cc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000822880321 606906180 /nfs/dbraw/zinc/90/61/80/606906180.db2.gz MPKCBKLHENHEGZ-CZUORRHYSA-N 0 3 382.428 0.602 20 0 GCADHN NC(=O)c1cc([C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000822880321 606906181 /nfs/dbraw/zinc/90/61/81/606906181.db2.gz MPKCBKLHENHEGZ-CZUORRHYSA-N 0 3 382.428 0.602 20 0 GCADHN COC(=O)CC1([NH2+]CCOc2ccc(-c3nnn[n-]3)cc2OC)CCOCC1 ZINC000821658731 607176161 /nfs/dbraw/zinc/17/61/61/607176161.db2.gz GWXPYINECCISPE-UHFFFAOYSA-N 0 3 391.428 0.956 20 0 GCADHN COC(=O)CC1([NH2+]CCOc2ccc(-c3nn[n-]n3)cc2OC)CCOCC1 ZINC000821658731 607176162 /nfs/dbraw/zinc/17/61/62/607176162.db2.gz GWXPYINECCISPE-UHFFFAOYSA-N 0 3 391.428 0.956 20 0 GCADHN CC[C@H]1CN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC[N@@H+]1C[C@@H](C)O ZINC000825211364 607922704 /nfs/dbraw/zinc/92/27/04/607922704.db2.gz MKHRNCRAWDAWQD-HIFRSBDPSA-N 0 3 388.472 0.930 20 0 GCADHN CC[C@H]1CN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC[N@H+]1C[C@@H](C)O ZINC000825211364 607922705 /nfs/dbraw/zinc/92/27/05/607922705.db2.gz MKHRNCRAWDAWQD-HIFRSBDPSA-N 0 3 388.472 0.930 20 0 GCADHN O=C(CC[N@@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1sccc1-c1nnn[n-]1 ZINC000826407673 608045595 /nfs/dbraw/zinc/04/55/95/608045595.db2.gz WNELVIXHDIFHIQ-LLVKDONJSA-N 0 3 375.458 0.954 20 0 GCADHN O=C(CC[N@H+]1CC[C@@H](N2CCCC2=O)C1)Nc1sccc1-c1nnn[n-]1 ZINC000826407673 608045596 /nfs/dbraw/zinc/04/55/96/608045596.db2.gz WNELVIXHDIFHIQ-LLVKDONJSA-N 0 3 375.458 0.954 20 0 GCADHN Cc1nn(-c2ccc(-c3nn[nH]n3)cc2)c(NC(=O)C(=O)NCCN(C)C)c1C ZINC000826331522 608074182 /nfs/dbraw/zinc/07/41/82/608074182.db2.gz LUVCQPGVDKHXAN-UHFFFAOYSA-N 0 3 397.443 0.286 20 0 GCADHN NC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000826391748 608106248 /nfs/dbraw/zinc/10/62/48/608106248.db2.gz AHBFUUPETVYFJR-SECBINFHSA-N 0 3 390.473 0.488 20 0 GCADHN NC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000826391748 608106249 /nfs/dbraw/zinc/10/62/49/608106249.db2.gz AHBFUUPETVYFJR-SECBINFHSA-N 0 3 390.473 0.488 20 0 GCADHN C[C@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824970469 608121168 /nfs/dbraw/zinc/12/11/68/608121168.db2.gz XUGJTDIMMGPUNL-DOTOQJQBSA-N 0 3 399.499 0.730 20 0 GCADHN C[C@@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824970472 608121297 /nfs/dbraw/zinc/12/12/97/608121297.db2.gz XUGJTDIMMGPUNL-WBVHZDCISA-N 0 3 399.499 0.730 20 0 GCADHN C[C@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824985175 608170835 /nfs/dbraw/zinc/17/08/35/608170835.db2.gz SMWSIADDIAXVFT-YJBOKZPZSA-N 0 3 398.515 0.763 20 0 GCADHN C[C@@H]1CN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824985031 608170840 /nfs/dbraw/zinc/17/08/40/608170840.db2.gz QJXCNKZHUUKISV-QAPCUYQASA-N 0 3 398.515 0.763 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825460424 608353261 /nfs/dbraw/zinc/35/32/61/608353261.db2.gz WUGZUZKIAHGUTB-LLVKDONJSA-N 0 3 389.464 0.357 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825460424 608353263 /nfs/dbraw/zinc/35/32/63/608353263.db2.gz WUGZUZKIAHGUTB-LLVKDONJSA-N 0 3 389.464 0.357 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825444415 608356730 /nfs/dbraw/zinc/35/67/30/608356730.db2.gz MTLVJNBKWGXWOT-ZYHUDNBSSA-N 0 3 389.464 0.213 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825444415 608356732 /nfs/dbraw/zinc/35/67/32/608356732.db2.gz MTLVJNBKWGXWOT-ZYHUDNBSSA-N 0 3 389.464 0.213 20 0 GCADHN CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000824305015 608363403 /nfs/dbraw/zinc/36/34/03/608363403.db2.gz JDULPDWZHLMPCP-UHFFFAOYSA-N 0 3 375.408 0.933 20 0 GCADHN CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824305015 608363405 /nfs/dbraw/zinc/36/34/05/608363405.db2.gz JDULPDWZHLMPCP-UHFFFAOYSA-N 0 3 375.408 0.933 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000826168638 608366725 /nfs/dbraw/zinc/36/67/25/608366725.db2.gz UCPPJMUUEPPWLC-KSSFIOAISA-N 0 3 399.499 0.860 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000826168638 608366727 /nfs/dbraw/zinc/36/67/27/608366727.db2.gz UCPPJMUUEPPWLC-KSSFIOAISA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000826212880 608450934 /nfs/dbraw/zinc/45/09/34/608450934.db2.gz DJSAAMRAQKVTCJ-AAEUAGOBSA-N 0 3 382.428 0.707 20 0 GCADHN COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000826212880 608450936 /nfs/dbraw/zinc/45/09/36/608450936.db2.gz DJSAAMRAQKVTCJ-AAEUAGOBSA-N 0 3 382.428 0.707 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3cc(-c4nnn[n-]4)cs3)C[C@H]2C)CC1 ZINC000823980456 608746450 /nfs/dbraw/zinc/74/64/50/608746450.db2.gz DDVIKFBMAVXRFD-WBMJQRKESA-N 0 3 375.502 0.913 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](Cc3cc(-c4nnn[n-]4)cs3)C[C@H]2C)CC1 ZINC000823980456 608746451 /nfs/dbraw/zinc/74/64/51/608746451.db2.gz DDVIKFBMAVXRFD-WBMJQRKESA-N 0 3 375.502 0.913 20 0 GCADHN C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000825856439 609203345 /nfs/dbraw/zinc/20/33/45/609203345.db2.gz WGYUYCSOSIIXIO-HZPDHXFCSA-N 0 3 398.471 0.708 20 0 GCADHN O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826430998 609234428 /nfs/dbraw/zinc/23/44/28/609234428.db2.gz PHLWGDIFZSCIAG-CXAGYDPISA-N 0 3 386.456 0.517 20 0 GCADHN O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826430998 609234429 /nfs/dbraw/zinc/23/44/29/609234429.db2.gz PHLWGDIFZSCIAG-CXAGYDPISA-N 0 3 386.456 0.517 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825412459 609242729 /nfs/dbraw/zinc/24/27/29/609242729.db2.gz PKPFDCIZJOVHOY-DLBZAZTESA-N 0 3 388.472 0.859 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825412459 609242730 /nfs/dbraw/zinc/24/27/30/609242730.db2.gz PKPFDCIZJOVHOY-DLBZAZTESA-N 0 3 388.472 0.859 20 0 GCADHN C[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826023022 609265839 /nfs/dbraw/zinc/26/58/39/609265839.db2.gz VQTRRROHYBIDQM-MRXNPFEDSA-N 0 3 383.456 0.820 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826060570 609416716 /nfs/dbraw/zinc/41/67/16/609416716.db2.gz OXMIHLNHRQWUGG-OAGGEKHMSA-N 0 3 383.456 0.866 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826060569 609416840 /nfs/dbraw/zinc/41/68/40/609416840.db2.gz OXMIHLNHRQWUGG-BZUAXINKSA-N 0 3 383.456 0.866 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000826185268 609625676 /nfs/dbraw/zinc/62/56/76/609625676.db2.gz FHOFOLMXGNMHBJ-UHFFFAOYSA-N 0 3 387.444 0.662 20 0 GCADHN [NH3+][C@H](CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000261977494 638472940 /nfs/dbraw/zinc/47/29/40/638472940.db2.gz VLDXBBHPFWIDTO-MRVPVSSYSA-N 0 3 382.305 0.642 20 0 GCADHN C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(N)ncc3Cl)CC2)C[C@H](C)O1 ZINC000891744070 638510138 /nfs/dbraw/zinc/51/01/38/638510138.db2.gz XDXYDKFMXVCBOO-TXEJJXNPSA-N 0 3 389.909 0.793 20 0 GCADHN C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(N)ncc3Cl)CC2)C[C@H](C)O1 ZINC000891744067 638510228 /nfs/dbraw/zinc/51/02/28/638510228.db2.gz XDXYDKFMXVCBOO-RYUDHWBXSA-N 0 3 389.909 0.793 20 0 GCADHN C[C@@H]1CCC[C@@](CNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)(N(C)C)C1 ZINC000892238032 638536095 /nfs/dbraw/zinc/53/60/95/638536095.db2.gz VXAUHRITIJGASC-HLLBOEOZSA-N 0 3 375.535 0.952 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1nn2c(c1Br)CCC2 ZINC000892874310 638599813 /nfs/dbraw/zinc/59/98/13/638599813.db2.gz FIBMFDZNOOBKSR-UHFFFAOYSA-N 0 3 386.294 0.684 20 0 GCADHN C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000261669730 638651061 /nfs/dbraw/zinc/65/10/61/638651061.db2.gz GPIWFVBUDHAXES-VIFPVBQESA-N 0 3 389.421 0.413 20 0 GCADHN CNC(=O)CN1CCC(NCc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894174174 638668537 /nfs/dbraw/zinc/66/85/37/638668537.db2.gz VIOAASLTAWRPLJ-UHFFFAOYSA-N 0 3 387.937 0.933 20 0 GCADHN CS(C)(=O)=NS(=O)(=O)CCNC(=O)[C@@H]1CCN(C2CCCCC2)C1 ZINC000927778647 638671193 /nfs/dbraw/zinc/67/11/93/638671193.db2.gz HBRUBZITTGNPAX-CYBMUJFWSA-N 0 3 379.548 0.815 20 0 GCADHN Cn1ncc(I)c1CNC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000894359048 638695814 /nfs/dbraw/zinc/69/58/14/638695814.db2.gz MNNCCFKFBWPKHK-VIFPVBQESA-N 0 3 398.270 0.396 20 0 GCADHN O=C(NCCn1cc(Br)cn1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894801214 638712239 /nfs/dbraw/zinc/71/22/39/638712239.db2.gz WJDHYYBYNVBGMU-UONOGXRCSA-N 0 3 386.294 0.886 20 0 GCADHN C[C@H]1[C@@H](NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCN1C ZINC000928448231 638714280 /nfs/dbraw/zinc/71/42/80/638714280.db2.gz MYJPVOPUVXOGNR-IUCAKERBSA-N 0 3 383.250 0.101 20 0 GCADHN Cn1ncc(I)c1CNC[C@@H]1CCCCN1CCO ZINC000894874764 638715284 /nfs/dbraw/zinc/71/52/84/638715284.db2.gz QALOIBJBJRTCLO-NSHDSACASA-N 0 3 378.258 0.961 20 0 GCADHN CS(=O)(=O)NCCNC(=S)NCC1(N2CCSCC2)CCCC1 ZINC000727074719 638733837 /nfs/dbraw/zinc/73/38/37/638733837.db2.gz PAHQELUGYMZEFK-UHFFFAOYSA-N 0 3 380.605 0.361 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=S)NCCNS(C)(=O)=O ZINC000727086250 638737977 /nfs/dbraw/zinc/73/79/77/638737977.db2.gz YTKAYRBOULMZKJ-UHFFFAOYSA-N 0 3 394.513 0.752 20 0 GCADHN Cn1nc(Br)nc1CN[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000895687013 639027668 /nfs/dbraw/zinc/02/76/68/639027668.db2.gz YNXZLOIJXPWQSD-ZDUSSCGKSA-N 0 3 387.326 0.464 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1c[nH]nc1I ZINC000895990641 639035372 /nfs/dbraw/zinc/03/53/72/639035372.db2.gz JTZLSOVEZWFXBF-IUCAKERBSA-N 0 3 376.198 0.607 20 0 GCADHN Cn1ncc(Br)c1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000896098415 639037863 /nfs/dbraw/zinc/03/78/63/639037863.db2.gz ISWUSGNNEKFSCO-STQMWFEESA-N 0 3 386.294 0.923 20 0 GCADHN O=C(NCc1cnc(Br)cn1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000896092083 639039033 /nfs/dbraw/zinc/03/90/33/639039033.db2.gz GJIDYTIVAUHZOI-CHWSQXEVSA-N 0 3 384.278 0.980 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866940481 639141513 /nfs/dbraw/zinc/14/15/13/639141513.db2.gz ONZIAWOXZCZWCV-JTQLQIEISA-N 0 3 383.312 0.818 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000866943423 639144565 /nfs/dbraw/zinc/14/45/65/639144565.db2.gz HWGLRHQATCENKE-CQSZACIVSA-N 0 3 378.539 0.409 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897416298 639154424 /nfs/dbraw/zinc/15/44/24/639154424.db2.gz VLOMHEJUAZLADL-AWEZNQCLSA-N 0 3 385.258 0.961 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1c[nH]nc1I ZINC000897421731 639157638 /nfs/dbraw/zinc/15/76/38/639157638.db2.gz NIXLWPSEGIRGCN-SNVBAGLBSA-N 0 3 391.257 0.770 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)CCCN(C)C)CCO1 ZINC000866961497 639163853 /nfs/dbraw/zinc/16/38/53/639163853.db2.gz DCIXFZKOVBCLBV-UONOGXRCSA-N 0 3 379.523 0.882 20 0 GCADHN O=C(CSc1nnnn1CC(F)(F)F)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729972349 639204176 /nfs/dbraw/zinc/20/41/76/639204176.db2.gz XOAZTNLFMBBJJO-UWVGGRQHSA-N 0 3 380.396 0.307 20 0 GCADHN Cc1[nH]nc(I)c1C(=O)NC[C@H]1CCCN1CCCO ZINC000897877432 639212771 /nfs/dbraw/zinc/21/27/71/639212771.db2.gz RRGFPOUVRWUOTQ-SNVBAGLBSA-N 0 3 392.241 0.899 20 0 GCADHN O=C(NCc1ncc(Br)cn1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000898380613 639226887 /nfs/dbraw/zinc/22/68/87/639226887.db2.gz RGLQAXOTDOZPDY-STQMWFEESA-N 0 3 384.278 0.980 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@H]2C)C1 ZINC000925331467 639229312 /nfs/dbraw/zinc/22/93/12/639229312.db2.gz FKXKCSYZSKBUOC-ZNMIVQPWSA-N 0 3 376.523 0.161 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN(C)CCO)C2)s1 ZINC000899729240 639272193 /nfs/dbraw/zinc/27/21/93/639272193.db2.gz APDHSZHGRSKYDB-CQSZACIVSA-N 0 3 389.543 0.498 20 0 GCADHN CN(CCO)CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000899729495 639272701 /nfs/dbraw/zinc/27/27/01/639272701.db2.gz IJEGYEKETBCORC-UHFFFAOYSA-N 0 3 389.905 0.778 20 0 GCADHN CN(CCO)CCNC(=O)c1ccc2ncc(I)n2c1 ZINC000899734423 639274519 /nfs/dbraw/zinc/27/45/19/639274519.db2.gz FQICBGLOIFOMLH-UHFFFAOYSA-N 0 3 388.209 0.593 20 0 GCADHN CN(CCO)CCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000899733474 639274708 /nfs/dbraw/zinc/27/47/08/639274708.db2.gz COMQENRGXGYIPV-UHFFFAOYSA-N 0 3 375.878 0.534 20 0 GCADHN Cn1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(I)n1 ZINC000906459457 639322657 /nfs/dbraw/zinc/32/26/57/639322657.db2.gz MHTPZNRCSDDJIH-ZJUUUORDSA-N 0 3 390.225 0.618 20 0 GCADHN Cn1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c(I)n1 ZINC000906459455 639322887 /nfs/dbraw/zinc/32/28/87/639322887.db2.gz MHTPZNRCSDDJIH-UWVGGRQHSA-N 0 3 390.225 0.618 20 0 GCADHN CCN1CCN(CCNC(=O)c2cn(C)nc2I)CC1 ZINC000906673804 639328574 /nfs/dbraw/zinc/32/85/74/639328574.db2.gz WZDVUQOUHRMPDG-UHFFFAOYSA-N 0 3 391.257 0.392 20 0 GCADHN CN(C)C[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000924814510 639418663 /nfs/dbraw/zinc/41/86/63/639418663.db2.gz JYPVPMFSXJUGDE-MRVPVSSYSA-N 0 3 380.879 0.162 20 0 GCADHN CN(C)CCn1nccc1C(=O)NCCn1cc(Br)ccc1=O ZINC000908525090 639461116 /nfs/dbraw/zinc/46/11/16/639461116.db2.gz WJYWZMCPBIRNAN-UHFFFAOYSA-N 0 3 382.262 0.799 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000151547847 639644062 /nfs/dbraw/zinc/64/40/62/639644062.db2.gz SCEAVYLZJYVBQR-LBPRGKRZSA-N 0 3 398.305 0.925 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000913919621 639683840 /nfs/dbraw/zinc/68/38/40/639683840.db2.gz TTYPUFNXDYXURG-GJZGRUSLSA-N 0 3 379.548 0.063 20 0 GCADHN CN1CCC[C@H](CNS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000914080998 639696497 /nfs/dbraw/zinc/69/64/97/639696497.db2.gz NERRQISAPZLGBC-CQSZACIVSA-N 0 3 376.523 0.715 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000748652457 640328683 /nfs/dbraw/zinc/32/86/83/640328683.db2.gz XEQKAZRAIWKNEG-AWEZNQCLSA-N 0 3 380.536 0.032 20 0 GCADHN COCCS(=O)(=O)CC(=O)N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000748854541 640332169 /nfs/dbraw/zinc/33/21/69/640332169.db2.gz ABWZLUDDYINXQL-HOTGVXAUSA-N 0 3 375.535 0.065 20 0 GCADHN C[C@@H](NCCOCCS(C)(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000749130518 640337137 /nfs/dbraw/zinc/33/71/37/640337137.db2.gz BXQUEVAXDGVFFS-CYBMUJFWSA-N 0 3 378.516 0.649 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000804986665 640363311 /nfs/dbraw/zinc/36/33/11/640363311.db2.gz RFPILZOGOHITJT-JTQLQIEISA-N 0 3 378.857 0.740 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000804986665 640363315 /nfs/dbraw/zinc/36/33/15/640363315.db2.gz RFPILZOGOHITJT-JTQLQIEISA-N 0 3 378.857 0.740 20 0 GCADHN Cn1ncc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1Br ZINC000760216826 640565444 /nfs/dbraw/zinc/56/54/44/640565444.db2.gz DWSJOJUWUDLCSD-GFCCVEGCSA-N 0 3 384.278 0.737 20 0 GCADHN COCCN(C)CCNC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760504322 640573390 /nfs/dbraw/zinc/57/33/90/640573390.db2.gz YYMPGRICAFOYNS-GFCCVEGCSA-N 0 3 392.909 0.486 20 0 GCADHN C[C@H](CC(N)=O)N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000763398717 640627977 /nfs/dbraw/zinc/62/79/77/640627977.db2.gz QPJFFXKYIQNQMJ-GHMZBOCLSA-N 0 3 377.488 0.327 20 0 GCADHN C[C@@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000763432626 640629158 /nfs/dbraw/zinc/62/91/58/640629158.db2.gz UENYVVDKLKFTHM-OLZOCXBDSA-N 0 3 375.926 0.720 20 0 GCADHN Cc1nc(NC(=O)[C@H]2CN3CCN2CCC3)sc1C1N=NC(=S)N1C ZINC000763554698 640631065 /nfs/dbraw/zinc/63/10/65/640631065.db2.gz UIGWKMMXHDKPGF-SNVBAGLBSA-N 0 3 379.515 0.864 20 0 GCADHN COCCOCCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765328366 640667409 /nfs/dbraw/zinc/66/74/09/640667409.db2.gz RIXOPHBFCDCJNW-ZDUSSCGKSA-N 0 3 394.515 0.726 20 0 GCADHN CN(CCNC(=S)NC1CCN(C)CC1)S(=O)(=O)c1cccs1 ZINC000771842497 640834507 /nfs/dbraw/zinc/83/45/07/640834507.db2.gz TUZPFIIMGMYQPT-UHFFFAOYSA-N 0 3 376.573 0.927 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000775191178 641072311 /nfs/dbraw/zinc/07/23/11/641072311.db2.gz FJXJRMQNQDSXLJ-RYUDHWBXSA-N 0 3 393.315 0.355 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000775198979 641073712 /nfs/dbraw/zinc/07/37/12/641073712.db2.gz ZHYYJIHPCWJJKB-NEPJUHHUSA-N 0 3 391.299 0.061 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)Nc2cn3cc(Br)ncc3n2)CC1=O ZINC000776529783 641099707 /nfs/dbraw/zinc/09/97/07/641099707.db2.gz CKTIBKLNJQRHDJ-SNVBAGLBSA-N 0 3 395.261 0.840 20 0 GCADHN COC[C@H](CN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)OC ZINC000781425919 641226879 /nfs/dbraw/zinc/22/68/79/641226879.db2.gz IHKLZFBPFKGRLZ-WFASDCNBSA-N 0 3 394.515 0.724 20 0 GCADHN CN1CCN(CCCCNC(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000864864338 641271238 /nfs/dbraw/zinc/27/12/38/641271238.db2.gz YGOPQECQRABVKI-UHFFFAOYSA-N 0 3 385.306 0.755 20 0 GCADHN COCCN(C)CCN1C[C@H](Nc2ncnc(F)c2Br)CC1=O ZINC000865887281 641288741 /nfs/dbraw/zinc/28/87/41/641288741.db2.gz UARXZHXAZFFGFE-SNVBAGLBSA-N 0 3 390.257 0.969 20 0 GCADHN CC(C)(C)N1CCC(NS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000866552042 641308498 /nfs/dbraw/zinc/30/84/98/641308498.db2.gz FKNJJOAFJQBTJT-ZDUSSCGKSA-N 0 3 381.564 0.450 20 0 GCADHN CC(C)(C)N1CCC(NS(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000866552041 641308637 /nfs/dbraw/zinc/30/86/37/641308637.db2.gz FKNJJOAFJQBTJT-CYBMUJFWSA-N 0 3 381.564 0.450 20 0 GCADHN O=S(=O)([N-]CCCN1CC[NH2+]CC1)c1cc2nc(Cl)ncc2s1 ZINC000866733715 641320243 /nfs/dbraw/zinc/32/02/43/641320243.db2.gz ANAZZBOCJCLOFM-UHFFFAOYSA-N 0 3 375.907 0.918 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CC[C@@H]2CC[NH2+]C2)c1I ZINC000866740676 641321750 /nfs/dbraw/zinc/32/17/50/641321750.db2.gz TYVATAWCJJXTKO-QMMMGPOBSA-N 0 3 384.243 0.303 20 0 GCADHN CCS(=O)(CC)=NS(=O)(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 ZINC000866749559 641323777 /nfs/dbraw/zinc/32/37/77/641323777.db2.gz LIJPVBAFNOTOQL-HNNXBMFYSA-N 0 3 380.580 0.841 20 0 GCADHN CCOC(=O)C1(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC1 ZINC000866761826 641326955 /nfs/dbraw/zinc/32/69/55/641326955.db2.gz ABHWDYDPPYITPX-NSHDSACASA-N 0 3 387.424 0.228 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H](C[NH3+])C(C)(C)C)c1I ZINC000866768765 641328578 /nfs/dbraw/zinc/32/85/78/641328578.db2.gz WUUWJPUJEPWBTG-MRVPVSSYSA-N 0 3 386.259 0.676 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@H]2CC[NH2+]CC2(C)C)c1I ZINC000866770275 641329063 /nfs/dbraw/zinc/32/90/63/641329063.db2.gz UQFMDBWLNDMXOP-SECBINFHSA-N 0 3 398.270 0.691 20 0 GCADHN C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cnn(C)c2I)C[NH2+]1 ZINC000866781154 641331562 /nfs/dbraw/zinc/33/15/62/641331562.db2.gz LXRSQGFMEAUBDS-YUMQZZPRSA-N 0 3 384.243 0.444 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1F ZINC000866827297 641339070 /nfs/dbraw/zinc/33/90/70/641339070.db2.gz KTOZKHCRYUTZJG-KGLIPLIRSA-N 0 3 377.463 0.712 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCOC3(CCN(C)CC3)C2)c(Br)n1 ZINC000867452480 641342395 /nfs/dbraw/zinc/34/23/95/641342395.db2.gz DTYFHUCOQFUSPF-UHFFFAOYSA-N 0 3 393.307 0.668 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cn1ccc(Br)cc1=O ZINC000867480413 641345730 /nfs/dbraw/zinc/34/57/30/641345730.db2.gz TXWZPQRNFXMEMY-ZDUSSCGKSA-N 0 3 385.306 0.753 20 0 GCADHN 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/nfs/dbraw/zinc/01/74/38/642017438.db2.gz IWXYQEZYHMSWSD-CJNGLKHVSA-N 0 3 377.507 0.501 20 0 GCADHN Cn1nc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1Br ZINC000825693504 642051216 /nfs/dbraw/zinc/05/12/16/642051216.db2.gz ALYXIDYNFBUDTG-UHFFFAOYSA-N 0 3 384.278 0.563 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(Br)n(C)n2)CC1 ZINC000825703256 642051484 /nfs/dbraw/zinc/05/14/84/642051484.db2.gz ONBWXHIDTRCVSK-UHFFFAOYSA-N 0 3 386.294 0.809 20 0 GCADHN C[C@H](O)C[C@H]1CCCN1CCS(=O)(=O)CCN1CCC[C@H]1C[C@H](C)O ZINC000246872571 642062242 /nfs/dbraw/zinc/06/22/42/642062242.db2.gz WKVKFPHOPAVVCD-XLAORIBOSA-N 0 3 376.563 0.872 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CN(S(C)(=O)=O)C1 ZINC000900414092 642086441 /nfs/dbraw/zinc/08/64/41/642086441.db2.gz FNKXDQCXLLYNOW-UHFFFAOYSA-N 0 3 375.441 0.746 20 0 GCADHN COCCN(C(=O)CCN1CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000900578010 642094559 /nfs/dbraw/zinc/09/45/59/642094559.db2.gz HFQVUUCQSSTJEC-INIZCTEOSA-N 0 3 375.535 0.065 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000830990623 642149418 /nfs/dbraw/zinc/14/94/18/642149418.db2.gz KBFXPYFFJVMHTL-VIFPVBQESA-N 0 3 397.437 0.955 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2cnn(C)c2I)CCC1 ZINC000867154659 642242123 /nfs/dbraw/zinc/24/21/23/642242123.db2.gz UQSGSPXSJYITLZ-UHFFFAOYSA-N 0 3 398.270 0.787 20 0 GCADHN O=C(NCCn1cc(Br)ccc1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000836283954 642247515 /nfs/dbraw/zinc/24/75/15/642247515.db2.gz OXFYZVORHIWACQ-ZIAGYGMSSA-N 0 3 399.289 0.773 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCN2CC[N@H+](C)C(C)(C)C2)c1Br ZINC000867229353 642271808 /nfs/dbraw/zinc/27/18/08/642271808.db2.gz FNRLOWOGHDOIRL-UHFFFAOYSA-N 0 3 394.339 0.487 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCN2CC[N@@H+](C)C(C)(C)C2)c1Br ZINC000867229353 642271812 /nfs/dbraw/zinc/27/18/12/642271812.db2.gz FNRLOWOGHDOIRL-UHFFFAOYSA-N 0 3 394.339 0.487 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=S)NCCNS(C)(=O)=O)C1 ZINC000840808934 642285926 /nfs/dbraw/zinc/28/59/26/642285926.db2.gz 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ZINC000849437255 642656925 /nfs/dbraw/zinc/65/69/25/642656925.db2.gz FNRMGPVBZILOSB-UWVGGRQHSA-N 0 3 388.364 0.727 20 0 GCADHN CN(C)CCONC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC000854690362 642844760 /nfs/dbraw/zinc/84/47/60/642844760.db2.gz WFULEYRJHFGFAY-UHFFFAOYSA-N 0 3 391.515 0.364 20 0 GCADHN CN(C)CCONC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000854947103 642870287 /nfs/dbraw/zinc/87/02/87/642870287.db2.gz GFLMSMLJGDLVSE-UHFFFAOYSA-N 0 3 390.893 0.745 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cnc(OC)s2)CC1 ZINC000914062552 677374412 /nfs/dbraw/zinc/37/44/12/677374412.db2.gz CVADGKPECANWFO-UHFFFAOYSA-N 0 3 376.504 0.326 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CC[C@@H](Oc4ccccc4)C3)C2)nn1 ZINC000662960711 1192170974 /nfs/dbraw/zinc/17/09/74/1192170974.db2.gz PYCRGPIZTYBBCO-FUHWJXTLSA-N 0 3 398.467 0.580 20 0 GCADHN Cc1ccc2c(c1)CN(C(=O)C(=O)N1CCC[C@@H](n3cc(CN)nn3)C1)CC2 ZINC000662968816 1192172805 /nfs/dbraw/zinc/17/28/05/1192172805.db2.gz JMGLJLHWDMBOPB-GOSISDBHSA-N 0 3 382.468 0.794 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN2CCCCC2)cc1S(N)(=O)=O ZINC000652292301 1192179174 /nfs/dbraw/zinc/17/91/74/1192179174.db2.gz JWGQQPUOYVAYJO-UHFFFAOYSA-N 0 3 382.486 0.525 20 0 GCADHN C[C@@H](O)[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000661770116 1192179902 /nfs/dbraw/zinc/17/99/02/1192179902.db2.gz SYRZRCFSUQSHLH-SJLPKXTDSA-N 0 3 395.525 0.506 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[C@@H](C)S(=O)(=O)C3)C2)CC1 ZINC000596797294 1192181690 /nfs/dbraw/zinc/18/16/90/1192181690.db2.gz MNKBXXFWIAGWPK-BRWVUGGUSA-N 0 3 386.562 0.762 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000247258128 1192185452 /nfs/dbraw/zinc/18/54/52/1192185452.db2.gz YYUYWLSUDPPAHU-UPJWGTAASA-N 0 3 390.406 0.209 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000247258154 1192185502 /nfs/dbraw/zinc/18/55/02/1192185502.db2.gz YYUYWLSUDPPAHU-YNEHKIRRSA-N 0 3 390.406 0.209 20 0 GCADHN CN(C[C@H]1CCN1C(=O)CN(C)C1CCC1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000978156146 1192201245 /nfs/dbraw/zinc/20/12/45/1192201245.db2.gz CULPHRVAFSDICO-LKCYJCQHSA-N 0 3 379.501 0.582 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000661975455 1192209267 /nfs/dbraw/zinc/20/92/67/1192209267.db2.gz MPEZVHXPVSIWEY-QGZVFWFLSA-N 0 3 379.505 0.783 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000661975881 1192209311 /nfs/dbraw/zinc/20/93/11/1192209311.db2.gz OXZPBJJLSXFEBL-SJLPKXTDSA-N 0 3 395.548 0.482 20 0 GCADHN NS(=O)(=O)c1ccccc1CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661988426 1192211865 /nfs/dbraw/zinc/21/18/65/1192211865.db2.gz XQYOCCVMKKSAHS-OAHLLOKOSA-N 0 3 382.486 0.387 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000661986437 1192212225 /nfs/dbraw/zinc/21/22/25/1192212225.db2.gz HELOOYPAMZKUON-HKUYNNGSSA-N 0 3 380.533 0.994 20 0 GCADHN O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661985944 1192212279 /nfs/dbraw/zinc/21/22/79/1192212279.db2.gz YTEXUKMANKFQMX-JSGCOSHPSA-N 0 3 392.422 0.950 20 0 GCADHN O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661985943 1192212331 /nfs/dbraw/zinc/21/23/31/1192212331.db2.gz YTEXUKMANKFQMX-GXTWGEPZSA-N 0 3 392.422 0.950 20 0 GCADHN CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000049278909 1192213759 /nfs/dbraw/zinc/21/37/59/1192213759.db2.gz JZHHBNDFLJCGHX-UHFFFAOYSA-N 0 3 395.891 0.392 20 0 GCADHN Cc1ccccc1[C@@H]1CCCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652403512 1192214039 /nfs/dbraw/zinc/21/40/39/1192214039.db2.gz LXFOKAPVIBCNBL-SFHVURJKSA-N 0 3 386.496 0.891 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000652400459 1192214432 /nfs/dbraw/zinc/21/44/32/1192214432.db2.gz YUZPYKUXQPIQOS-UHFFFAOYSA-N 0 3 387.484 0.310 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCN1C[C@@H]2CCCCN2C1=O ZINC000662004887 1192215461 /nfs/dbraw/zinc/21/54/61/1192215461.db2.gz MMWIKQDYWKUTRZ-CABCVRRESA-N 0 3 380.493 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ZINC000652474627 1192229321 /nfs/dbraw/zinc/22/93/21/1192229321.db2.gz VCGYPSWVQBRKMM-VYENPZKTSA-N 0 3 398.507 0.923 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)[C@@H](c2ccco2)C1 ZINC000652470209 1192229377 /nfs/dbraw/zinc/22/93/77/1192229377.db2.gz QNBGKOVPRUOYAA-JKSUJKDBSA-N 0 3 390.484 0.812 20 0 GCADHN CC(C)O[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000652471784 1192229912 /nfs/dbraw/zinc/22/99/12/1192229912.db2.gz GWEUWDNRELMIAA-IRXDYDNUSA-N 0 3 394.516 0.167 20 0 GCADHN CCC[C@@]1(COC)CCCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652479039 1192230056 /nfs/dbraw/zinc/23/00/56/1192230056.db2.gz GIIPANSKGFMCLT-IBGZPJMESA-N 0 3 382.505 0.027 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C)C[C@@H]3Cc3ccccc3)[C@@H]2C1 ZINC000652529918 1192236390 /nfs/dbraw/zinc/23/63/90/1192236390.db2.gz YXJQQUMNTSYQFC-SLFFLAALSA-N 0 3 384.524 0.924 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)CC1=O ZINC000652489943 1192232954 /nfs/dbraw/zinc/23/29/54/1192232954.db2.gz PKFSDEGSSKMESD-CVEARBPZSA-N 0 3 380.533 0.892 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)CC1=O ZINC000652489944 1192233048 /nfs/dbraw/zinc/23/30/48/1192233048.db2.gz PKFSDEGSSKMESD-HOTGVXAUSA-N 0 3 380.533 0.892 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)C1=CCN(C)CC1 ZINC000785321784 1192238307 /nfs/dbraw/zinc/23/83/07/1192238307.db2.gz TVUPCBKVMJZIRS-CQSZACIVSA-N 0 3 385.468 0.328 20 0 GCADHN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000153117355 1192251806 /nfs/dbraw/zinc/25/18/06/1192251806.db2.gz SRANJYQRGNJMSC-DLBZAZTESA-N 0 3 378.517 0.933 20 0 GCADHN CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599939727 1192258107 /nfs/dbraw/zinc/25/81/07/1192258107.db2.gz YJJRHLYWCMVTIU-ZNMIVQPWSA-N 0 3 381.498 0.799 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)CC1=O ZINC000652617691 1192256482 /nfs/dbraw/zinc/25/64/82/1192256482.db2.gz PESJMGLXNQJCDH-IEBWSBKVSA-N 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1192307867 /nfs/dbraw/zinc/30/78/67/1192307867.db2.gz VEVDVCCNUQJNMC-UHFFFAOYSA-N 0 3 380.464 0.559 20 0 GCADHN C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000980126417 1192307879 /nfs/dbraw/zinc/30/78/79/1192307879.db2.gz QAPFFJROOQTITE-FJANGAQTSA-N 0 3 379.501 0.533 20 0 GCADHN O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000662500281 1192308093 /nfs/dbraw/zinc/30/80/93/1192308093.db2.gz OVGNKVZXUCMDNS-MRXNPFEDSA-N 0 3 398.467 0.897 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662578653 1192315317 /nfs/dbraw/zinc/31/53/17/1192315317.db2.gz DPEVXXBBEFYDBW-UHFFFAOYSA-N 0 3 392.363 0.879 20 0 GCADHN C[C@@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)N1C(=O)CCC1=O ZINC000068102841 1192314728 /nfs/dbraw/zinc/31/47/28/1192314728.db2.gz VPIZPFVBJIEKHM-KRWDZBQOSA-N 0 3 386.496 0.848 20 0 GCADHN Cn1c2[n-]c(CN3CCC(c4[nH+]cc5n4CCCC5)CC3)nc2c(=O)n(C)c1=O ZINC000278883568 1192324854 /nfs/dbraw/zinc/32/48/54/1192324854.db2.gz 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CCOC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000728880817 1192345100 /nfs/dbraw/zinc/34/51/00/1192345100.db2.gz HGJBBWOAORBPQP-MRXNPFEDSA-N 0 3 382.505 0.868 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000128739445 1192349657 /nfs/dbraw/zinc/34/96/57/1192349657.db2.gz JPGZLVBKWDVBGW-HNNXBMFYSA-N 0 3 389.529 0.970 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000728881009 1192350810 /nfs/dbraw/zinc/35/08/10/1192350810.db2.gz NAYMNLJEKULLMG-UHFFFAOYSA-N 0 3 396.513 0.684 20 0 GCADHN Cc1sc(=O)n(CCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1C ZINC000604324254 1192352030 /nfs/dbraw/zinc/35/20/30/1192352030.db2.gz LTOOEADCTATENR-OAHLLOKOSA-N 0 3 380.514 0.857 20 0 GCADHN COc1cc(OC)c(OC)cc1CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663478746 1192353219 /nfs/dbraw/zinc/35/32/19/1192353219.db2.gz UTHBEENFVMWNBR-UHFFFAOYSA-N 0 3 396.488 0.874 20 0 GCADHN CC(=O)N[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCN1C)C(C)(C)C ZINC001719840319 1192355441 /nfs/dbraw/zinc/35/54/41/1192355441.db2.gz USQKMKVJWTXCHQ-DRRXZNNHSA-N 0 3 378.517 0.880 20 0 GCADHN O=C(NC[C@H](n1cncn1)C(F)(F)F)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000637004511 1192362933 /nfs/dbraw/zinc/36/29/33/1192362933.db2.gz CBAZRTHOUKGXCN-AVGNSLFASA-N 0 3 388.394 0.631 20 0 GCADHN Cc1nc(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cs1 ZINC000585695327 1192373577 /nfs/dbraw/zinc/37/35/77/1192373577.db2.gz BJLBZPFHTDCFSU-MRXNPFEDSA-N 0 3 379.530 0.695 20 0 GCADHN CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)C2 ZINC001719843613 1192375418 /nfs/dbraw/zinc/37/54/18/1192375418.db2.gz OKIMUGPCHUJJGN-FZKCQIBNSA-N 0 3 379.505 0.365 20 0 GCADHN CC(C)(O)CN1CCN(c2cnc(N3CCN(CC(C)(C)O)CC3)cn2)CC1 ZINC000663533692 1192376831 /nfs/dbraw/zinc/37/68/31/1192376831.db2.gz SWBDZZGMGXWVGR-UHFFFAOYSA-N 0 3 392.548 0.262 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000278932444 1192380352 /nfs/dbraw/zinc/38/03/52/1192380352.db2.gz WIRBSLHCHQUCQI-HNAYVOBHSA-N 0 3 399.495 0.818 20 0 GCADHN O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000637085156 1192382033 /nfs/dbraw/zinc/38/20/33/1192382033.db2.gz ALXJJPGSJURECX-MSOLQXFVSA-N 0 3 378.542 0.970 20 0 GCADHN O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)N[C@H]1CCCOCC1 ZINC000512019381 1192386541 /nfs/dbraw/zinc/38/65/41/1192386541.db2.gz YMBHKGJMWSOXKC-SFHVURJKSA-N 0 3 389.496 0.945 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCCc2cc(C(F)(F)F)ccn2)n1 ZINC000549621833 1192389300 /nfs/dbraw/zinc/38/93/00/1192389300.db2.gz HTPLUJBTESJBEK-UHFFFAOYSA-N 0 3 385.394 0.430 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000663562924 1192391754 /nfs/dbraw/zinc/39/17/54/1192391754.db2.gz XCMQADAGOJTDCI-UHFFFAOYSA-N 0 3 397.907 0.731 20 0 GCADHN Cc1nn(C)c(C)c1[C@H]1[C@H](NC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC(=O)N1C ZINC000431947617 1192394198 /nfs/dbraw/zinc/39/41/98/1192394198.db2.gz ALEPJFPICXREOY-UZSUOLLMSA-N 0 3 393.532 0.368 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCN1CCCC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001028046024 1192394933 /nfs/dbraw/zinc/39/49/33/1192394933.db2.gz WTRXAMMLMPRWPS-LSTDLKDCSA-N 0 3 379.501 0.631 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c1 ZINC000613931250 1192395162 /nfs/dbraw/zinc/39/51/62/1192395162.db2.gz LGKOMDVSSSMJIP-INIZCTEOSA-N 0 3 398.529 0.501 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000585719094 1192396987 /nfs/dbraw/zinc/39/69/87/1192396987.db2.gz REXDKIJBHQORIW-GJZGRUSLSA-N 0 3 383.489 0.546 20 0 GCADHN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000585723086 1192398572 /nfs/dbraw/zinc/39/85/72/1192398572.db2.gz XMCIPBKYBSACGB-IFXJQAMLSA-N 0 3 399.557 0.978 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N3CCC(O)(CO)CC3)cc2)CC1 ZINC000663583506 1192403169 /nfs/dbraw/zinc/40/31/69/1192403169.db2.gz VBLRSRLHCOGUFS-UHFFFAOYSA-N 0 3 376.501 0.463 20 0 GCADHN CN(C)Cc1cnc(CNC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000512036774 1192403243 /nfs/dbraw/zinc/40/32/43/1192403243.db2.gz LTCKSRZCUFQMST-UHFFFAOYSA-N 0 3 398.558 0.881 20 0 GCADHN C[C@H]1CN(c2ccc(CNC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cn2)C[C@H](C)O1 ZINC000663589596 1192405468 /nfs/dbraw/zinc/40/54/68/1192405468.db2.gz JDBHVHGXQPSQKV-OTRWWLKZSA-N 0 3 377.489 0.512 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccnc1N1CCOCC1 ZINC000663599642 1192410642 /nfs/dbraw/zinc/41/06/42/1192410642.db2.gz VWSHWUJTYQUXFL-UHFFFAOYSA-N 0 3 392.504 0.080 20 0 GCADHN Cc1cnc(COCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)o1 ZINC001719849659 1192413631 /nfs/dbraw/zinc/41/36/31/1192413631.db2.gz XDEGKLKSNVPHQG-PMPSAXMXSA-N 0 3 376.457 0.844 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CC(S(C)(=O)=O)C2)CC1 ZINC000663613457 1192417307 /nfs/dbraw/zinc/41/73/07/1192417307.db2.gz ZWUBSTVUOJTRMD-UHFFFAOYSA-N 0 3 394.541 0.763 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc2n1CCOC2 ZINC001719850696 1192419487 /nfs/dbraw/zinc/41/94/87/1192419487.db2.gz QISOBNLKLWEXOM-ILXRZTDVSA-N 0 3 375.473 0.617 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn2c(n1)COCC2 ZINC001719850697 1192419685 /nfs/dbraw/zinc/41/96/85/1192419685.db2.gz QKAQACDWJMNCGY-YCPHGPKFSA-N 0 3 375.473 0.617 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)N1CCC(C)CC1 ZINC001719850829 1192419832 /nfs/dbraw/zinc/41/98/32/1192419832.db2.gz WAESYOAFLPXRAY-IKGGRYGDSA-N 0 3 378.517 0.835 20 0 GCADHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NC[C@]2(O)CCN(C)C2)s1 ZINC000512080941 1192430505 /nfs/dbraw/zinc/43/05/05/1192430505.db2.gz GEMMMBXSSHASBZ-OHUAYANFSA-N 0 3 384.506 0.429 20 0 GCADHN CCn1c(=O)[nH]c2cc(C(=O)NCCCCN3CCN(C)CC3)ccc2c1=O ZINC000050171028 1192459576 /nfs/dbraw/zinc/45/95/76/1192459576.db2.gz IDGHSTYFEGEYAV-UHFFFAOYSA-N 0 3 387.484 0.467 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C[C@@H]1O ZINC000663661439 1192460971 /nfs/dbraw/zinc/46/09/71/1192460971.db2.gz ADFJDSWFESFAPJ-ROUUACIJSA-N 0 3 379.480 0.264 20 0 GCADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279135484 1192471789 /nfs/dbraw/zinc/47/17/89/1192471789.db2.gz WSXZHMLLKUNCGW-KUDFPVQQSA-N 0 3 399.495 0.440 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)CCSC1 ZINC000279219907 1192488120 /nfs/dbraw/zinc/48/81/20/1192488120.db2.gz NDQZHVZCHFKTHC-GOSISDBHSA-N 0 3 376.482 0.698 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000429805766 1192488262 /nfs/dbraw/zinc/48/82/62/1192488262.db2.gz KMXNTCWAXGYISH-UHFFFAOYSA-N 0 3 388.465 0.458 20 0 GCADHN CCCc1csc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000279258934 1192495800 /nfs/dbraw/zinc/49/58/00/1192495800.db2.gz RUSQLNSRUPTMAT-CQSZACIVSA-N 0 3 393.513 0.799 20 0 GCADHN C[C@H](NC(=O)c1cccs1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000432522463 1192508240 /nfs/dbraw/zinc/50/82/40/1192508240.db2.gz GFNURHUAXFWESL-HNNXBMFYSA-N 0 3 382.530 0.373 20 0 GCADHN Cc1cc(-n2cncn2)ccc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000432525708 1192509488 /nfs/dbraw/zinc/50/94/88/1192509488.db2.gz WMPJJOYASFFFNG-UHFFFAOYSA-N 0 3 386.500 0.696 20 0 GCADHN CCNC(=O)c1cccc(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000663717903 1192513211 /nfs/dbraw/zinc/51/32/11/1192513211.db2.gz BYPBZCDBZFKGJX-UHFFFAOYSA-N 0 3 377.489 0.598 20 0 GCADHN COc1cccc(CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)c1OC ZINC000663732761 1192516411 /nfs/dbraw/zinc/51/64/11/1192516411.db2.gz WVSGHKZDEYJDSL-UHFFFAOYSA-N 0 3 380.489 0.908 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000663739326 1192518256 /nfs/dbraw/zinc/51/82/56/1192518256.db2.gz KILPTJLNOHAJFL-MRXNPFEDSA-N 0 3 380.514 0.855 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@]3(O)CCO[C@@H]3C)c2)CC1 ZINC000279420857 1192538724 /nfs/dbraw/zinc/53/87/24/1192538724.db2.gz JGJDNSRPDWFUKZ-FOIQADDNSA-N 0 3 390.484 0.423 20 0 GCADHN Cc1nc(-c2ccc(C(=O)NCCCCN3CCN(CCO)CC3)cc2)n[nH]1 ZINC000432543464 1192548108 /nfs/dbraw/zinc/54/81/08/1192548108.db2.gz TZAHNAFGBABIEW-UHFFFAOYSA-N 0 3 386.500 0.900 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCc1ccc2c(c1)OCO2 ZINC000512220296 1192553055 /nfs/dbraw/zinc/55/30/55/1192553055.db2.gz VAZKBBLKQXXLTA-UHFFFAOYSA-N 0 3 378.473 0.605 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCNC(=O)c1cccnc1 ZINC000279595932 1192561669 /nfs/dbraw/zinc/56/16/69/1192561669.db2.gz VVRKUOLFSOINLG-HNNXBMFYSA-N 0 3 375.473 0.706 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCNC(=O)c1cccnc1 ZINC000279595936 1192561749 /nfs/dbraw/zinc/56/17/49/1192561749.db2.gz VVRKUOLFSOINLG-OAHLLOKOSA-N 0 3 375.473 0.706 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000663782459 1192579332 /nfs/dbraw/zinc/57/93/32/1192579332.db2.gz AEHCHTUKDFKJPI-RDJZCZTQSA-N 0 3 395.529 0.613 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000663782460 1192579617 /nfs/dbraw/zinc/57/96/17/1192579617.db2.gz AEHCHTUKDFKJPI-WBVHZDCISA-N 0 3 395.529 0.613 20 0 GCADHN COc1ccc(OC)c(CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000663786368 1192596988 /nfs/dbraw/zinc/59/69/88/1192596988.db2.gz XDBOWFRLBXDPAI-UHFFFAOYSA-N 0 3 380.489 0.908 20 0 GCADHN C[C@@H](O)C[C@@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000279759715 1192598681 /nfs/dbraw/zinc/59/86/81/1192598681.db2.gz MDLPJWVNXZRYJA-ZBFHGGJFSA-N 0 3 383.514 0.618 20 0 GCADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418629503 1192622162 /nfs/dbraw/zinc/62/21/62/1192622162.db2.gz DHCAWVQQOQEVQN-QGZVFWFLSA-N 0 3 385.468 0.006 20 0 GCADHN C[C@@]1(C2CCN(C(=O)NC[C@H]3NCCc4ccccc43)CC2)NC(=O)NC1=O ZINC000418647374 1192623419 /nfs/dbraw/zinc/62/34/19/1192623419.db2.gz XWNTTYVJWHBVFA-UZLBHIALSA-N 0 3 385.468 0.893 20 0 GCADHN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CC2 ZINC000140809241 1192629867 /nfs/dbraw/zinc/62/98/67/1192629867.db2.gz POZMLTVCQGICIJ-GJZGRUSLSA-N 0 3 389.504 0.103 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](CO)CN2CCCCC2)cc1 ZINC000512360269 1192632676 /nfs/dbraw/zinc/63/26/76/1192632676.db2.gz VQMGROAJFSMIGI-GJZGRUSLSA-N 0 3 399.513 0.325 20 0 GCADHN COC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CNCCO3)[C@@H](C)C2)cc1 ZINC000418776545 1192643087 /nfs/dbraw/zinc/64/30/87/1192643087.db2.gz XOWKOXCQQXMMIG-WMLDXEAASA-N 0 3 376.457 0.682 20 0 GCADHN CCOC(=O)c1ccc(N2CCCN(C(=O)NC[C@@H]3CNCCO3)CC2)nc1 ZINC000418777852 1192643171 /nfs/dbraw/zinc/64/31/71/1192643171.db2.gz YXCIZXQSYUNMNP-INIZCTEOSA-N 0 3 391.472 0.468 20 0 GCADHN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)N[C@H](CO)CN1CCCCC1 ZINC000512394521 1192645103 /nfs/dbraw/zinc/64/51/03/1192645103.db2.gz GDVWDTNOZJHPMQ-QBYUYEEZSA-N 0 3 384.546 0.675 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)C[C@H](C)N1 ZINC000418810666 1192651913 /nfs/dbraw/zinc/65/19/13/1192651913.db2.gz UTVJOAFKSTXDFL-CALCHBBNSA-N 0 3 380.533 0.594 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000418812875 1192652891 /nfs/dbraw/zinc/65/28/91/1192652891.db2.gz CDOVXGPBNUPEQQ-APIJFGDWSA-N 0 3 380.489 0.123 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](C)NC[C@@H]2C)N(C)C)cc1OC ZINC000418827310 1192656859 /nfs/dbraw/zinc/65/68/59/1192656859.db2.gz GRDSERIGRRTSRK-DZKIICNBSA-N 0 3 392.500 0.632 20 0 GCADHN COCCOc1cc(C)ccc1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000418830328 1192659333 /nfs/dbraw/zinc/65/93/33/1192659333.db2.gz UBKARUWXYKNDFZ-GDBMZVCRSA-N 0 3 393.484 0.866 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)N(C)C ZINC000418831499 1192659470 /nfs/dbraw/zinc/65/94/70/1192659470.db2.gz GKXFSTJKDQDFDB-IMJJTQAJSA-N 0 3 392.500 0.643 20 0 GCADHN COCCOc1cc(C)ccc1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000418830333 1192659533 /nfs/dbraw/zinc/65/95/33/1192659533.db2.gz UBKARUWXYKNDFZ-GOEBONIOSA-N 0 3 393.484 0.866 20 0 GCADHN CC(=O)Nc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000279916606 1192664881 /nfs/dbraw/zinc/66/48/81/1192664881.db2.gz FSFXVKITCMDOOB-INIZCTEOSA-N 0 3 388.472 0.488 20 0 GCADHN CC1CCC(Oc2cc(CNC(=O)C(=O)NC[C@@H]3CNCCO3)ccn2)CC1 ZINC000418849834 1192664886 /nfs/dbraw/zinc/66/48/86/1192664886.db2.gz BHNOXVQVJIESDU-PREGVCBESA-N 0 3 390.484 0.760 20 0 GCADHN CC1CCC(Oc2cc(CNC(=O)C(=O)NC[C@H]3CNCCO3)ccn2)CC1 ZINC000418849833 1192664965 /nfs/dbraw/zinc/66/49/65/1192664965.db2.gz BHNOXVQVJIESDU-BDVYOWHSSA-N 0 3 390.484 0.760 20 0 GCADHN Cc1ccc(CCNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c(C)c1 ZINC000418852981 1192666301 /nfs/dbraw/zinc/66/63/01/1192666301.db2.gz WOHOOEZTMRNCRW-GOSISDBHSA-N 0 3 384.484 0.876 20 0 GCADHN COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)N(C)C)c1 ZINC000418862284 1192671061 /nfs/dbraw/zinc/67/10/61/1192671061.db2.gz OAHNTHGCUNVVBW-JQFCIGGWSA-N 0 3 392.500 0.643 20 0 GCADHN CCc1nc2cc(CNC(=O)C(=O)NC[C@H]3CNCCO3)ccc2n1C1CC1 ZINC000418887163 1192676678 /nfs/dbraw/zinc/67/66/78/1192676678.db2.gz APLUKNZULRRERM-OAHLLOKOSA-N 0 3 385.468 0.654 20 0 GCADHN CCS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000418896390 1192680474 /nfs/dbraw/zinc/68/04/74/1192680474.db2.gz VBSZPIMZZIESAP-DOMZBBRYSA-N 0 3 397.497 0.326 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000512431246 1192683298 /nfs/dbraw/zinc/68/32/98/1192683298.db2.gz ZJAJWBDSDWCPBT-MRXNPFEDSA-N 0 3 383.518 0.579 20 0 GCADHN Cc1cccc(OCCNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000418906477 1192686326 /nfs/dbraw/zinc/68/63/26/1192686326.db2.gz WOYRPWJLCPWHPY-MRXNPFEDSA-N 0 3 386.456 0.404 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1c(F)cccc1-n1cccn1 ZINC000418908044 1192686498 /nfs/dbraw/zinc/68/64/98/1192686498.db2.gz SCXHYMWMLXPPGK-WFASDCNBSA-N 0 3 389.431 0.857 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000418910323 1192687001 /nfs/dbraw/zinc/68/70/01/1192687001.db2.gz ULDXTZZJLYLXLY-RHSMWYFYSA-N 0 3 385.468 0.777 20 0 GCADHN C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418911291 1192687401 /nfs/dbraw/zinc/68/74/01/1192687401.db2.gz CPRJOFRQSILHTG-RHSMWYFYSA-N 0 3 377.485 0.972 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000418915487 1192688271 /nfs/dbraw/zinc/68/82/71/1192688271.db2.gz UYYYAQCEAYSLFJ-CWRNSKLLSA-N 0 3 394.516 0.656 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000418946152 1192698536 /nfs/dbraw/zinc/69/85/36/1192698536.db2.gz MLFGUQYEGCZBJJ-KRWDZBQOSA-N 0 3 386.427 0.878 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000418954503 1192701084 /nfs/dbraw/zinc/70/10/84/1192701084.db2.gz OEYPZJQOVHYDFB-GWCFXTLKSA-N 0 3 375.347 0.867 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc2c(c1)OCCO2 ZINC000418981736 1192709085 /nfs/dbraw/zinc/70/90/85/1192709085.db2.gz GYODPBQTMCHGRL-PBHICJAKSA-N 0 3 377.441 0.376 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N[C@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000419009472 1192715194 /nfs/dbraw/zinc/71/51/94/1192715194.db2.gz NKLYSUYQJQALHB-VQTJNVASSA-N 0 3 396.491 0.992 20 0 GCADHN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C(=O)NC[C@@H]1CNCCO1 ZINC000419006568 1192715394 /nfs/dbraw/zinc/71/53/94/1192715394.db2.gz SQCKAKZNPIGJPW-LBPRGKRZSA-N 0 3 383.832 0.222 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N(C)CC(C)(C)O)CC2)C[C@H](C)O1 ZINC000410575080 1192723416 /nfs/dbraw/zinc/72/34/16/1192723416.db2.gz MJQHJOGIABSYKE-IYBDPMFKSA-N 0 3 383.533 0.954 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000512466790 1192730889 /nfs/dbraw/zinc/73/08/89/1192730889.db2.gz YBNUVKDMTPWIPY-CYBMUJFWSA-N 0 3 382.427 0.933 20 0 GCADHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419032154 1192731147 /nfs/dbraw/zinc/73/11/47/1192731147.db2.gz JNGPCXCIUGYDBY-MZMPZRCHSA-N 0 3 382.468 0.950 20 0 GCADHN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419032155 1192731416 /nfs/dbraw/zinc/73/14/16/1192731416.db2.gz JNGPCXCIUGYDBY-QBIMZIAESA-N 0 3 382.468 0.950 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419035631 1192735381 /nfs/dbraw/zinc/73/53/81/1192735381.db2.gz AKAQAFXZDSDSQD-UHFFFAOYSA-N 0 3 396.513 0.059 20 0 GCADHN COCCOC(=O)c1sc2[n-]c(CN3C[C@H]4C[NH2+]C[C@@H]4C3)nc(=O)c2c1C ZINC000728914007 1192737371 /nfs/dbraw/zinc/73/73/71/1192737371.db2.gz KYYRTSOTZLUNKP-VXGBXAGGSA-N 0 3 392.481 0.747 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000614068169 1192746202 /nfs/dbraw/zinc/74/62/02/1192746202.db2.gz CULUYPAXZULKIQ-UHFFFAOYSA-N 0 3 394.457 0.251 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@@H]2c3ccccc3NC2=O)CC1=O ZINC000644894079 1192761626 /nfs/dbraw/zinc/76/16/26/1192761626.db2.gz FTRLLUNGQFQMBF-GDBMZVCRSA-N 0 3 388.468 0.408 20 0 GCADHN Cc1nc2c(cnn2C)c(N2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)n1 ZINC000237679462 1192758122 /nfs/dbraw/zinc/75/81/22/1192758122.db2.gz BQVIRICQXVSKLE-QGZVFWFLSA-N 0 3 379.468 0.890 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NC[C@H](N)c2ccccc2)C[C@@H](C)O1 ZINC000419062816 1192758907 /nfs/dbraw/zinc/75/89/07/1192758907.db2.gz HDXQPTWAWOHTMK-INMHGKMJSA-N 0 3 376.501 0.807 20 0 GCADHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000439954242 1192759419 /nfs/dbraw/zinc/75/94/19/1192759419.db2.gz ZUPULCJGXAXVOF-PNBKFKSVSA-N 0 3 385.530 0.797 20 0 GCADHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000439954238 1192759459 /nfs/dbraw/zinc/75/94/59/1192759459.db2.gz ZUPULCJGXAXVOF-JYYAWHABSA-N 0 3 385.530 0.797 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)CN(C)c2ccc(Cl)cn2)CC1=O ZINC000644894254 1192762141 /nfs/dbraw/zinc/76/21/41/1192762141.db2.gz RQTUJTVBCISOPR-OAHLLOKOSA-N 0 3 397.907 0.467 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)[C@@H](C)CN1 ZINC000419067150 1192762521 /nfs/dbraw/zinc/76/25/21/1192762521.db2.gz FWVCCCAMQDLWAZ-IKGGRYGDSA-N 0 3 388.512 0.732 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)[C@H](C)CN1 ZINC000419067148 1192762877 /nfs/dbraw/zinc/76/28/77/1192762877.db2.gz FWVCCCAMQDLWAZ-BRWVUGGUSA-N 0 3 388.512 0.732 20 0 GCADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)c1 ZINC000262599045 1192764138 /nfs/dbraw/zinc/76/41/38/1192764138.db2.gz ARFUXGBUTKCQAC-MRXNPFEDSA-N 0 3 399.513 0.910 20 0 GCADHN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000237833422 1192765543 /nfs/dbraw/zinc/76/55/43/1192765543.db2.gz CRPRCELVECHOOL-FPOVZHCZSA-N 0 3 397.523 0.982 20 0 GCADHN O=C(CN1CCN(C(=O)CNC[C@H]2CCCO2)CC1)Nc1ccc(F)cc1 ZINC000237842291 1192766120 /nfs/dbraw/zinc/76/61/20/1192766120.db2.gz QIPGIKCUYGTUOC-QGZVFWFLSA-N 0 3 378.448 0.677 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cn1 ZINC000419072416 1192768030 /nfs/dbraw/zinc/76/80/30/1192768030.db2.gz QYHXMXREWJEEPD-DARAHFNDSA-N 0 3 393.488 0.326 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCCCO2)CC1 ZINC000500768703 1192769018 /nfs/dbraw/zinc/76/90/18/1192769018.db2.gz VNVXADYXOIQATJ-GDBMZVCRSA-N 0 3 376.457 0.813 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000237893576 1192769538 /nfs/dbraw/zinc/76/95/38/1192769538.db2.gz XYQRPRHMWFSJTN-OALUTQOASA-N 0 3 386.496 0.705 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000237893518 1192769575 /nfs/dbraw/zinc/76/95/75/1192769575.db2.gz XYQRPRHMWFSJTN-RBUKOAKNSA-N 0 3 386.496 0.705 20 0 GCADHN O=C(CN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000237893304 1192769673 /nfs/dbraw/zinc/76/96/73/1192769673.db2.gz ZJADXZRLIOCEJU-SFHVURJKSA-N 0 3 386.496 0.489 20 0 GCADHN NC1(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000237899306 1192769745 /nfs/dbraw/zinc/76/97/45/1192769745.db2.gz HJWPJWLBHQECKN-UHFFFAOYSA-N 0 3 380.452 0.798 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC3(CCC3)C2)CC1 ZINC000410631301 1192770739 /nfs/dbraw/zinc/77/07/39/1192770739.db2.gz MCJOKFVMWGQBJN-MRXNPFEDSA-N 0 3 376.501 0.544 20 0 GCADHN Cc1ccc(C[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)c2ccccn2)cc1 ZINC000419079553 1192775995 /nfs/dbraw/zinc/77/59/95/1192775995.db2.gz NENXGVUFXZGJKZ-IEBWSBKVSA-N 0 3 382.464 0.895 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)C[C@@H](C)N1 ZINC000419078553 1192776070 /nfs/dbraw/zinc/77/60/70/1192776070.db2.gz SUNGQZSCMJTMNU-BRWVUGGUSA-N 0 3 388.512 0.732 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCCS(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000419090542 1192781075 /nfs/dbraw/zinc/78/10/75/1192781075.db2.gz BVGLCPSALUGSBD-INIZCTEOSA-N 0 3 399.488 0.739 20 0 GCADHN C[C@H](O)CCN(C)C(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000410648791 1192788076 /nfs/dbraw/zinc/78/80/76/1192788076.db2.gz XNVCGAFTYBUVSJ-GVDBMIGSSA-N 0 3 383.533 0.954 20 0 GCADHN COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)OC(C)C ZINC000419103441 1192790911 /nfs/dbraw/zinc/79/09/11/1192790911.db2.gz GAHIXYRMWDZSTB-RHSMWYFYSA-N 0 3 379.457 0.382 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCSCC[C@@H]2C)CC1 ZINC000410652163 1192791496 /nfs/dbraw/zinc/79/14/96/1192791496.db2.gz APRNXBBUHUHIEW-HNNXBMFYSA-N 0 3 384.546 0.353 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCOC(C)(C)[C@@H]2C)CC1 ZINC000410661627 1192794301 /nfs/dbraw/zinc/79/43/01/1192794301.db2.gz JNMCRBZZTBQONU-HNNXBMFYSA-N 0 3 382.505 0.025 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000419120664 1192794968 /nfs/dbraw/zinc/79/49/68/1192794968.db2.gz QZWDBPLVEIHINK-ZFWWWQNUSA-N 0 3 375.473 0.527 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000419114160 1192800241 /nfs/dbraw/zinc/80/02/41/1192800241.db2.gz MGRHRMWJTIHWRF-UXLLHSPISA-N 0 3 395.525 0.941 20 0 GCADHN CN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000410669036 1192804284 /nfs/dbraw/zinc/80/42/84/1192804284.db2.gz ASVSUNYULJUUEY-RYQLBKOJSA-N 0 3 384.480 0.803 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1nccn1Cc1ccccc1 ZINC000419129820 1192804973 /nfs/dbraw/zinc/80/49/73/1192804973.db2.gz YPLWUCWQMSJJOC-NVXWUHKLSA-N 0 3 399.495 0.819 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCCNCC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000419151946 1192811454 /nfs/dbraw/zinc/81/14/54/1192811454.db2.gz MWYGXVDBJWGJBQ-ZWKOTPCHSA-N 0 3 384.484 0.893 20 0 GCADHN CCC[C@@H]1CN(C(=O)NC2CCN(CC(=O)NC)CC2)CCN1CCOC ZINC000500820211 1192813731 /nfs/dbraw/zinc/81/37/31/1192813731.db2.gz DVJYXGZTUPPHIL-QGZVFWFLSA-N 0 3 383.537 0.339 20 0 GCADHN COc1ccc(CCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000419144550 1192813995 /nfs/dbraw/zinc/81/39/95/1192813995.db2.gz FRXKHHALBRKOPY-DZGCQCFKSA-N 0 3 393.484 0.982 20 0 GCADHN CCC[C@H]1CN(C(=O)NC2CCN(CC(=O)NC)CC2)CCN1CCOC ZINC000500820210 1192814019 /nfs/dbraw/zinc/81/40/19/1192814019.db2.gz DVJYXGZTUPPHIL-KRWDZBQOSA-N 0 3 383.537 0.339 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCOC[C@@H](C)C3)CC2)C[C@@H](C)O1 ZINC000410683302 1192817760 /nfs/dbraw/zinc/81/77/60/1192817760.db2.gz NQPNOFIMVYJBLU-GVDBMIGSSA-N 0 3 381.517 0.829 20 0 GCADHN COc1ccc(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000419158945 1192818561 /nfs/dbraw/zinc/81/85/61/1192818561.db2.gz WUVNKBFRJBXEJO-ZFWWWQNUSA-N 0 3 379.457 0.103 20 0 GCADHN C[C@@H]1COCCN(C(=O)C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)C1 ZINC000410681592 1192824307 /nfs/dbraw/zinc/82/43/07/1192824307.db2.gz JIXDTIJVWFWRMX-INIZCTEOSA-N 0 3 389.500 0.287 20 0 GCADHN CSCC[C@H](C)N(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000410695592 1192830662 /nfs/dbraw/zinc/83/06/62/1192830662.db2.gz UDUSAGXJYCSQTM-GJZGRUSLSA-N 0 3 384.546 0.351 20 0 GCADHN CSCC[C@H](C)N(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410695594 1192831121 /nfs/dbraw/zinc/83/11/21/1192831121.db2.gz UDUSAGXJYCSQTM-LSDHHAIUSA-N 0 3 384.546 0.351 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)CCC(F)(F)F ZINC000419200284 1192839763 /nfs/dbraw/zinc/83/97/63/1192839763.db2.gz DZBPVYBXRRDNGE-VXGBXAGGSA-N 0 3 382.427 0.606 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000410709191 1192845260 /nfs/dbraw/zinc/84/52/60/1192845260.db2.gz NDFKDQMEYCJGIO-OAHLLOKOSA-N 0 3 380.514 0.181 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000500861293 1192845503 /nfs/dbraw/zinc/84/55/03/1192845503.db2.gz IHBXGUNPAJMKJS-IIDMSEBBSA-N 0 3 392.504 0.492 20 0 GCADHN COC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1OC ZINC000512536596 1192845790 /nfs/dbraw/zinc/84/57/90/1192845790.db2.gz UBJKFFGKLDAFFL-CQSZACIVSA-N 0 3 377.441 0.508 20 0 GCADHN CCN1CCN(c2cc(C(N)=O)nc(N3CCN(CC)C[C@@H]3C)n2)[C@H](C)C1 ZINC000893825231 1192864077 /nfs/dbraw/zinc/86/40/77/1192864077.db2.gz CUTLZNVEKVCWEQ-CABCVRRESA-N 0 3 375.521 0.636 20 0 GCADHN CCN1CC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CCN1CC ZINC000893873872 1192870184 /nfs/dbraw/zinc/87/01/84/1192870184.db2.gz RNARCXDRFXQTEK-HZPDHXFCSA-N 0 3 382.549 0.981 20 0 GCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000893877025 1192870437 /nfs/dbraw/zinc/87/04/37/1192870437.db2.gz DNMVRPMRAHEUGB-XBVQOTNRSA-N 0 3 380.514 0.998 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[S@](=O)[C@@H](C)C3)c2)CC1 ZINC000473381144 1192883023 /nfs/dbraw/zinc/88/30/23/1192883023.db2.gz YQJUNYWCWXMMHW-QZXCRCNTSA-N 0 3 392.525 0.746 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)CCSC1 ZINC000549799668 1192885239 /nfs/dbraw/zinc/88/52/39/1192885239.db2.gz MAMXWGTYWSQPRR-SFHVURJKSA-N 0 3 382.530 0.011 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@]3(OC)CCOC3)c2)CC1 ZINC000473404856 1192887949 /nfs/dbraw/zinc/88/79/49/1192887949.db2.gz GFXWCVPEHBUYCE-HXUWFJFHSA-N 0 3 390.484 0.689 20 0 GCADHN CCOC(=O)Cn1cc(CN(C)CCN2CCOCC2)c(-c2cnn(C)c2)n1 ZINC000893995291 1192888127 /nfs/dbraw/zinc/88/81/27/1192888127.db2.gz KJSFRBPSYWHHPL-UHFFFAOYSA-N 0 3 390.488 0.611 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H](COC)OC)c2)CC1 ZINC000473417935 1192892312 /nfs/dbraw/zinc/89/23/12/1192892312.db2.gz CVWSFOBNWKFVPI-QGZVFWFLSA-N 0 3 378.473 0.545 20 0 GCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[C@H]3CC[C@@H](C1)N3C)CCC2 ZINC000549826427 1192894811 /nfs/dbraw/zinc/89/48/11/1192894811.db2.gz GPAHVAUXJBTEQI-IKGGRYGDSA-N 0 3 389.500 0.718 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCN1CCOC ZINC000410730788 1192896981 /nfs/dbraw/zinc/89/69/81/1192896981.db2.gz NJYNHKPKVMRKAX-FGTMMUONSA-N 0 3 380.533 0.641 20 0 GCADHN C[C@@H]1CN(c2ccnc(N3C[C@@H](C)N(CCO)[C@@H](C)C3)n2)C[C@H](C)N1CCO ZINC000894081512 1192897034 /nfs/dbraw/zinc/89/70/34/1192897034.db2.gz ZRTORZMWMKISBK-USTZCAOPSA-N 0 3 392.548 0.259 20 0 GCADHN O=C(NCc1ccc(OCc2ccccc2)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419213272 1192902202 /nfs/dbraw/zinc/90/22/02/1192902202.db2.gz LGHVFXXOEGPORO-IBGZPJMESA-N 0 3 383.448 0.986 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000410886489 1192913559 /nfs/dbraw/zinc/91/35/59/1192913559.db2.gz OCHULWGIBBTHMW-FQEVSTJZSA-N 0 3 398.548 0.707 20 0 GCADHN C[C@H]1CN(Cc2ccc(CNC(=O)C(=O)NCC(F)(F)CN)cc2)C[C@H](C)O1 ZINC000419217289 1192915559 /nfs/dbraw/zinc/91/55/59/1192915559.db2.gz QIIYTVCHGFEHGM-KBPBESRZSA-N 0 3 398.454 0.622 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCCC(C)(C)C2)CC1 ZINC000410969274 1192921180 /nfs/dbraw/zinc/92/11/80/1192921180.db2.gz IHSFICQTGISSLQ-MRXNPFEDSA-N 0 3 378.517 0.790 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@]3(O)CCSC3)c2)CC1 ZINC000274496392 1184077535 /nfs/dbraw/zinc/07/75/35/1184077535.db2.gz IJAJEMLLGSOEAA-IBGZPJMESA-N 0 3 392.525 0.751 20 0 GCADHN COc1ccccc1C(=O)NCC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000274500389 1184077812 /nfs/dbraw/zinc/07/78/12/1184077812.db2.gz HZJNCMCJAXNJQX-INIZCTEOSA-N 0 3 390.484 0.484 20 0 GCADHN COC(=O)c1ccsc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000274505709 1184079673 /nfs/dbraw/zinc/07/96/73/1184079673.db2.gz KJUGIYINLHMRMD-GFCCVEGCSA-N 0 3 382.486 0.615 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(OCc2noc(C)n2)cc1 ZINC000274505156 1184079812 /nfs/dbraw/zinc/07/98/12/1184079812.db2.gz VRFOKMOHHJPYQB-UHFFFAOYSA-N 0 3 391.428 0.326 20 0 GCADHN COc1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c(Cl)n1 ZINC000274511010 1184082303 /nfs/dbraw/zinc/08/23/03/1184082303.db2.gz LKYWAPVUZFFQKT-GFCCVEGCSA-N 0 3 383.880 0.824 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCN(CC)C(=O)C3)c2)CC1 ZINC000274515898 1184083762 /nfs/dbraw/zinc/08/37/62/1184083762.db2.gz MGYKMWJYIBOIHV-UHFFFAOYSA-N 0 3 387.484 0.458 20 0 GCADHN C/C=C/C[C@@H](CO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000274518414 1184084472 /nfs/dbraw/zinc/08/44/72/1184084472.db2.gz MWGAHKDVCZPKOC-NNTXTVRGSA-N 0 3 390.440 0.538 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000274544247 1184093028 /nfs/dbraw/zinc/09/30/28/1184093028.db2.gz SMSNHAFBWQLCTO-CQSZACIVSA-N 0 3 376.457 0.539 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)n(-c2ncccn2)n1 ZINC000274551577 1184095855 /nfs/dbraw/zinc/09/58/55/1184095855.db2.gz DONSXGYXPXGABO-KRWDZBQOSA-N 0 3 389.485 0.463 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)CC2)n1 ZINC000274551605 1184096224 /nfs/dbraw/zinc/09/62/24/1184096224.db2.gz IQPMTVHXHXQUPI-INIZCTEOSA-N 0 3 389.548 0.951 20 0 GCADHN CCCNS(=O)(=O)c1ccc(/C=C/C(=O)NCCN(CC)CCO)cc1 ZINC000274553278 1184096863 /nfs/dbraw/zinc/09/68/63/1184096863.db2.gz NGTONSXOGRFQFB-JXMROGBWSA-N 0 3 383.514 0.819 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)c2)CC1 ZINC000274561870 1184099643 /nfs/dbraw/zinc/09/96/43/1184099643.db2.gz XLRZJGGJWYMHFY-MRXNPFEDSA-N 0 3 399.495 0.647 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)c2)CC1 ZINC000274567550 1184102149 /nfs/dbraw/zinc/10/21/49/1184102149.db2.gz KMLUDVPYMYFZNN-UHFFFAOYSA-N 0 3 392.485 0.311 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3OC(F)F)CCN2C1=O ZINC000579734141 1184119921 /nfs/dbraw/zinc/11/99/21/1184119921.db2.gz JKJYWBQJNAPHGV-ZJUUUORDSA-N 0 3 386.330 0.136 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3Cc3ccccc3)CCN2C1=O ZINC000579735407 1184122232 /nfs/dbraw/zinc/12/22/32/1184122232.db2.gz AIZOIWHLLNLZNE-MKXGPGLRSA-N 0 3 398.507 0.675 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000274621034 1184124341 /nfs/dbraw/zinc/12/43/41/1184124341.db2.gz FVPVQZJWWQYHAS-QGZVFWFLSA-N 0 3 394.472 0.423 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000274626054 1184125145 /nfs/dbraw/zinc/12/51/45/1184125145.db2.gz RFTIORDENSJPLJ-XOKHGSTOSA-N 0 3 392.525 0.833 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)[C@H]2C1 ZINC000579744220 1184126219 /nfs/dbraw/zinc/12/62/19/1184126219.db2.gz YCOAURZORDYXKJ-JSGCOSHPSA-N 0 3 377.470 0.394 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000274639856 1184134458 /nfs/dbraw/zinc/13/44/58/1184134458.db2.gz VBHFLBPGHBQYIC-CYBMUJFWSA-N 0 3 384.502 0.098 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000654781962 1184139910 /nfs/dbraw/zinc/13/99/10/1184139910.db2.gz BABVZLBPOIHLGJ-MRXNPFEDSA-N 0 3 388.578 0.438 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000616368329 1184145921 /nfs/dbraw/zinc/14/59/21/1184145921.db2.gz PYNDDBWBDBHYSI-HNNXBMFYSA-N 0 3 385.472 0.348 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C[C@H](C)O1 ZINC000274650808 1184148305 /nfs/dbraw/zinc/14/83/05/1184148305.db2.gz LZUREIGXNGTWPM-GJZGRUSLSA-N 0 3 398.529 0.951 20 0 GCADHN Cc1cc(N2CC[C@H](N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n(C)n1 ZINC001020406360 1184155846 /nfs/dbraw/zinc/15/58/46/1184155846.db2.gz SBGFWFKQORNWFN-JLMATLBDSA-N 0 3 399.495 0.494 20 0 GCADHN CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000274670228 1184175693 /nfs/dbraw/zinc/17/56/93/1184175693.db2.gz QZSIJVVOVZRHQQ-HNNXBMFYSA-N 0 3 382.530 0.741 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000274674217 1184177194 /nfs/dbraw/zinc/17/71/94/1184177194.db2.gz RVNJNRACXMHSCM-OAHLLOKOSA-N 0 3 397.545 0.420 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688734 1184186419 /nfs/dbraw/zinc/18/64/19/1184186419.db2.gz ZKETVMLRGCYSIK-FUHWJXTLSA-N 0 3 396.557 0.667 20 0 GCADHN Cn1c(N)c(C(=O)CNC2(Cc3ccccc3)CCOCC2)c(=O)n(C)c1=O ZINC000579797343 1184195717 /nfs/dbraw/zinc/19/57/17/1184195717.db2.gz SPWXMOFKXDNGRH-UHFFFAOYSA-N 0 3 386.452 0.230 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(Cc3cscn3)CC1)C2=O ZINC000748067458 1184204460 /nfs/dbraw/zinc/20/44/60/1184204460.db2.gz AKIYUCYPMOTZAW-UHFFFAOYSA-N 0 3 378.502 0.234 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCc2c(nnn2C)C1 ZINC000654911054 1184206932 /nfs/dbraw/zinc/20/69/32/1184206932.db2.gz KHVYOAFYZAGGMB-ZDUSSCGKSA-N 0 3 386.456 0.498 20 0 GCADHN CCN(CCO)CCNC(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000274708612 1184208257 /nfs/dbraw/zinc/20/82/57/1184208257.db2.gz ZVKVZYJPFBKOKG-UHFFFAOYSA-N 0 3 394.516 0.511 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000274715207 1184213998 /nfs/dbraw/zinc/21/39/98/1184213998.db2.gz FTMBVYSRQRQDFW-CVEARBPZSA-N 0 3 395.525 0.684 20 0 GCADHN COc1ncc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1C(N)=O ZINC000654948062 1184219229 /nfs/dbraw/zinc/21/92/29/1184219229.db2.gz XUFVQPZAYLDYDG-KBPBESRZSA-N 0 3 375.429 0.261 20 0 GCADHN O=C(Nc1cccnc1N1CCOCC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654947160 1184219290 /nfs/dbraw/zinc/21/92/90/1184219290.db2.gz QTNUAVSTYWKGIM-DOTOQJQBSA-N 0 3 387.484 0.990 20 0 GCADHN O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654947905 1184219597 /nfs/dbraw/zinc/21/95/97/1184219597.db2.gz WNVUNTZBGKEGBS-ZBFHGGJFSA-N 0 3 387.419 0.873 20 0 GCADHN O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654947902 1184219762 /nfs/dbraw/zinc/21/97/62/1184219762.db2.gz WNVUNTZBGKEGBS-GOEBONIOSA-N 0 3 387.419 0.873 20 0 GCADHN CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cn1 ZINC000654947040 1184219854 /nfs/dbraw/zinc/21/98/54/1184219854.db2.gz QMKCQYQHBYURDR-UONOGXRCSA-N 0 3 380.470 0.557 20 0 GCADHN NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000654949606 1184220210 /nfs/dbraw/zinc/22/02/10/1184220210.db2.gz XJGMRORXXNXTOP-LSDHHAIUSA-N 0 3 380.470 0.406 20 0 GCADHN Cn1c2ccc(NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)cc2n(C)c1=O ZINC000654946309 1184221992 /nfs/dbraw/zinc/22/19/92/1184221992.db2.gz IWIFZWGWKPUJSX-CABCVRRESA-N 0 3 385.468 0.949 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000579807928 1184225132 /nfs/dbraw/zinc/22/51/32/1184225132.db2.gz WLECLGKVSFEYKH-SFHVURJKSA-N 0 3 394.560 0.890 20 0 GCADHN COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(OC)c(O)c1 ZINC000274733676 1184233020 /nfs/dbraw/zinc/23/30/20/1184233020.db2.gz URDDZMAEASHDOL-CXAGYDPISA-N 0 3 393.440 0.141 20 0 GCADHN COC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(OC)c(O)c1 ZINC000274733722 1184233225 /nfs/dbraw/zinc/23/32/25/1184233225.db2.gz URDDZMAEASHDOL-SUMWQHHRSA-N 0 3 393.440 0.141 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1C ZINC000064334121 1184236951 /nfs/dbraw/zinc/23/69/51/1184236951.db2.gz VEXXMWGDJMRJSA-DLBZAZTESA-N 0 3 395.525 0.951 20 0 GCADHN CCN(C[C@H](C)O)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000510079566 1184246423 /nfs/dbraw/zinc/24/64/23/1184246423.db2.gz RSCYODJWBJBOGS-IRXDYDNUSA-N 0 3 397.541 0.919 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCC(C)(C)O)cc21 ZINC000274751980 1184253582 /nfs/dbraw/zinc/25/35/82/1184253582.db2.gz GZBXWHYENMQQIO-UHFFFAOYSA-N 0 3 378.429 0.372 20 0 GCADHN Cc1c(C(=O)N2CC(=O)N(C)C(=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000655062965 1184272478 /nfs/dbraw/zinc/27/24/78/1184272478.db2.gz JFCOQENHDIRWGK-UHFFFAOYSA-N 0 3 382.424 0.004 20 0 GCADHN CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccc(F)cc3)[C@@H]2C1 ZINC000655105261 1184287622 /nfs/dbraw/zinc/28/76/22/1184287622.db2.gz VCCNEQZHFSUVQJ-ZFZWDLNGSA-N 0 3 397.472 0.112 20 0 GCADHN CCOC(=O)Cn1cccc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1=O ZINC000274792303 1184313302 /nfs/dbraw/zinc/31/33/02/1184313302.db2.gz IILBXMBGXSEDJV-HNNXBMFYSA-N 0 3 393.488 0.559 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@@H]1O)N1CCCC1 ZINC000969511914 1184333107 /nfs/dbraw/zinc/33/31/07/1184333107.db2.gz FMODYKOFUWHKOP-MLHJIOFPSA-N 0 3 386.496 0.747 20 0 GCADHN CSc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579853825 1184342073 /nfs/dbraw/zinc/34/20/73/1184342073.db2.gz CNSLNPFMVYDGBF-UONOGXRCSA-N 0 3 376.482 0.104 20 0 GCADHN CSc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579853823 1184342410 /nfs/dbraw/zinc/34/24/10/1184342410.db2.gz CNSLNPFMVYDGBF-KBPBESRZSA-N 0 3 376.482 0.104 20 0 GCADHN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cs1 ZINC000579853650 1184343246 /nfs/dbraw/zinc/34/32/46/1184343246.db2.gz YAJHIPAMONRVLI-RYUDHWBXSA-N 0 3 379.486 0.441 20 0 GCADHN O=C([C@H]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CC4CC4)C[C@@H]32)O1)N1CCCC1 ZINC001083190956 1184345989 /nfs/dbraw/zinc/34/59/89/1184345989.db2.gz FHHDEZSSEXDIHI-XWTMOSNGSA-N 0 3 377.485 0.478 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](O)C1)N1CCCCC1 ZINC000969605540 1184352027 /nfs/dbraw/zinc/35/20/27/1184352027.db2.gz YFWSRPGUUPIRJX-BDXSIMOUSA-N 0 3 393.528 0.754 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1O ZINC000969618774 1184360872 /nfs/dbraw/zinc/36/08/72/1184360872.db2.gz JNEHDNLYXRVYQK-YRXWBPOGSA-N 0 3 389.496 0.865 20 0 GCADHN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655300548 1184362393 /nfs/dbraw/zinc/36/23/93/1184362393.db2.gz QPLNGKXUPRATSW-VBQJREDUSA-N 0 3 399.488 0.406 20 0 GCADHN CCN1CCN([C@H]2CCN(CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000245941375 1184366406 /nfs/dbraw/zinc/36/64/06/1184366406.db2.gz VCTCYENGMSMGQB-MSOLQXFVSA-N 0 3 379.549 0.215 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000154355975 1184388267 /nfs/dbraw/zinc/38/82/67/1184388267.db2.gz IAYMCPNPJLQURH-RHSMWYFYSA-N 0 3 379.480 0.925 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000547711651 1184389241 /nfs/dbraw/zinc/38/92/41/1184389241.db2.gz FSJOVDSYVDWYTD-UNEWFSDZSA-N 0 3 399.488 0.502 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000430259713 1184394726 /nfs/dbraw/zinc/39/47/26/1184394726.db2.gz QTQCGSLQIJKHBR-NRFANRHFSA-N 0 3 386.496 0.883 20 0 GCADHN COc1ccc(CN(CCCO)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000890643367 1184411479 /nfs/dbraw/zinc/41/14/79/1184411479.db2.gz RDPUINLALMBCCF-KRWDZBQOSA-N 0 3 377.485 0.816 20 0 GCADHN COc1cccc(OC)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000274883887 1184416110 /nfs/dbraw/zinc/41/61/10/1184416110.db2.gz PORQAWSQYHRCHV-AWEZNQCLSA-N 0 3 397.497 0.631 20 0 GCADHN COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000890662938 1184432312 /nfs/dbraw/zinc/43/23/12/1184432312.db2.gz PGHWGTPXCTZYTJ-IAGOWNOFSA-N 0 3 396.532 0.861 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(C)nn1-c1ccc(C)nn1 ZINC000275020817 1184460855 /nfs/dbraw/zinc/46/08/55/1184460855.db2.gz ZWWVEMGSZAQKSA-UHFFFAOYSA-N 0 3 389.460 0.302 20 0 GCADHN O=C(CNC1(CO)CCOCC1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000069247384 1184463452 /nfs/dbraw/zinc/46/34/52/1184463452.db2.gz HRQBAEBVAKFKMI-MRXNPFEDSA-N 0 3 388.530 0.466 20 0 GCADHN CN(CCNC(=O)C1CCN(CCNS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000471224012 1184470198 /nfs/dbraw/zinc/47/01/98/1184470198.db2.gz LLJBOPQICANHGY-UHFFFAOYSA-N 0 3 396.557 0.496 20 0 GCADHN CCN1CCN(c2ccc(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000152070263 1184476988 /nfs/dbraw/zinc/47/69/88/1184476988.db2.gz LEJLFRXPALYIMD-MRXNPFEDSA-N 0 3 394.541 0.840 20 0 GCADHN O=C(Cc1nc2ncccn2n1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000535630198 1184484686 /nfs/dbraw/zinc/48/46/86/1184484686.db2.gz IKVIJHWLYRYFEX-IAGOWNOFSA-N 0 3 380.452 0.666 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(CC(C)C)nn2C)CC1 ZINC000077705994 1184493216 /nfs/dbraw/zinc/49/32/16/1184493216.db2.gz LPWBAADLMLVOJN-UHFFFAOYSA-N 0 3 378.521 0.701 20 0 GCADHN CCN(CC)[C@H](CNC(=O)NCCNS(C)(=O)=O)c1cccc(OC)c1 ZINC000045867370 1184530525 /nfs/dbraw/zinc/53/05/25/1184530525.db2.gz VVYFAORVCOYTFF-MRXNPFEDSA-N 0 3 386.518 0.927 20 0 GCADHN CN1CCN(c2ncc(CN3CC[C@H](C(=O)NCC(F)(F)F)C3)cn2)CC1 ZINC000275142242 1184531316 /nfs/dbraw/zinc/53/13/16/1184531316.db2.gz OTRODQSXRMAHLA-AWEZNQCLSA-N 0 3 386.422 0.729 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000275262363 1184569129 /nfs/dbraw/zinc/56/91/29/1184569129.db2.gz IMDYMCIJDOVDLC-UHFFFAOYSA-N 0 3 380.420 0.733 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@H](OCC2CC2)C1 ZINC000430374469 1184624340 /nfs/dbraw/zinc/62/43/40/1184624340.db2.gz AAYBIRLXFRLTJP-IBGZPJMESA-N 0 3 382.549 0.977 20 0 GCADHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000547808315 1184624527 /nfs/dbraw/zinc/62/45/27/1184624527.db2.gz HHMDRCXNXUZGRT-UHFFFAOYSA-N 0 3 394.541 0.619 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275353165 1184624865 /nfs/dbraw/zinc/62/48/65/1184624865.db2.gz VCJLYYDCFRECTD-ZTFGCOKTSA-N 0 3 389.500 0.347 20 0 GCADHN Cn1cc(CN2CCN(C(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)cn1 ZINC000579894009 1184625897 /nfs/dbraw/zinc/62/58/97/1184625897.db2.gz GTIWKGCMRSWRBK-QGZVFWFLSA-N 0 3 390.532 0.301 20 0 GCADHN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1cc(N3CCCC3)nc(C)n1)C2 ZINC001167199542 1184630605 /nfs/dbraw/zinc/63/06/05/1184630605.db2.gz NPFDWXZXNNYCIT-ZDUSSCGKSA-N 0 3 380.470 0.552 20 0 GCADHN CC(C)CN1CCN(C(=O)NCCCCN2CCN(CCO)CC2)[C@@H](C)C1=O ZINC000430387063 1184637699 /nfs/dbraw/zinc/63/76/99/1184637699.db2.gz TZOAEQPVLCOKDO-SFHVURJKSA-N 0 3 397.564 0.275 20 0 GCADHN CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000275379420 1184644432 /nfs/dbraw/zinc/64/44/32/1184644432.db2.gz CQWOXJYRKFNJTR-UHFFFAOYSA-N 0 3 378.473 0.892 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1(C)C ZINC000275384343 1184646461 /nfs/dbraw/zinc/64/64/61/1184646461.db2.gz AEMSHIXAFASGDT-JXFKEZNVSA-N 0 3 375.517 0.982 20 0 GCADHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000275406959 1184656048 /nfs/dbraw/zinc/65/60/48/1184656048.db2.gz CTYPWLWDRWIFCE-CABCVRRESA-N 0 3 375.469 0.421 20 0 GCADHN O=C(c1[nH]nc2c1CNCC2)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000188374468 1184659688 /nfs/dbraw/zinc/65/96/88/1184659688.db2.gz YHXAWFOXOWWZLF-UHFFFAOYSA-N 0 3 395.510 0.700 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2O1 ZINC000683410902 1184665172 /nfs/dbraw/zinc/66/51/72/1184665172.db2.gz CEUVYSMETMUQFM-HUUCEWRRSA-N 0 3 381.498 0.461 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N(C)CCN(C)C)cc2)C[C@H](C)O1 ZINC000275438474 1184667689 /nfs/dbraw/zinc/66/76/89/1184667689.db2.gz PYDFXRCEXILKGZ-GJZGRUSLSA-N 0 3 390.484 0.895 20 0 GCADHN COCCNCC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC000430407388 1184675594 /nfs/dbraw/zinc/67/55/94/1184675594.db2.gz IPPNCZGCHMFCAP-QGZVFWFLSA-N 0 3 377.485 0.978 20 0 GCADHN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000275464558 1184679194 /nfs/dbraw/zinc/67/91/94/1184679194.db2.gz WCEUKONUCWXXBL-UHFFFAOYSA-N 0 3 398.485 0.094 20 0 GCADHN CC(C)(C)n1nnc(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000654682546 1184687930 /nfs/dbraw/zinc/68/79/30/1184687930.db2.gz TXJFSJUKVLDRDK-LJQANCHMSA-N 0 3 387.488 0.864 20 0 GCADHN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)CC1(O)CCOCC1 ZINC000275529617 1184699937 /nfs/dbraw/zinc/69/99/37/1184699937.db2.gz KHUPDKLJKCRXTJ-HNNXBMFYSA-N 0 3 379.457 0.426 20 0 GCADHN COCC1(NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000683429179 1184700093 /nfs/dbraw/zinc/70/00/93/1184700093.db2.gz LATYHKOKTSQPOJ-UHFFFAOYSA-N 0 3 376.413 0.390 20 0 GCADHN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)CC1(O)CCOCC1 ZINC000275529618 1184700466 /nfs/dbraw/zinc/70/04/66/1184700466.db2.gz KHUPDKLJKCRXTJ-OAHLLOKOSA-N 0 3 379.457 0.426 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(O)(C(F)F)CC1 ZINC000430426116 1184719904 /nfs/dbraw/zinc/71/99/04/1184719904.db2.gz PVYRWUPISYOBSO-CYBMUJFWSA-N 0 3 376.448 0.731 20 0 GCADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NCc3cnc4n3CCOC4)cc21 ZINC000890849091 1184725954 /nfs/dbraw/zinc/72/59/54/1184725954.db2.gz USBIMKRSHHOYFK-UHFFFAOYSA-N 0 3 384.440 0.960 20 0 GCADHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000275574478 1184726919 /nfs/dbraw/zinc/72/69/19/1184726919.db2.gz GKPSBTDBUDCRES-HNNXBMFYSA-N 0 3 395.529 0.774 20 0 GCADHN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000890867122 1184735610 /nfs/dbraw/zinc/73/56/10/1184735610.db2.gz IZOPUDDZGCANBQ-IAGOWNOFSA-N 0 3 375.469 0.687 20 0 GCADHN C[C@@H]1C[C@H](C)CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000579925595 1184736074 /nfs/dbraw/zinc/73/60/74/1184736074.db2.gz KAMUAQLANVSHFX-ZACQAIPSSA-N 0 3 378.517 0.646 20 0 GCADHN Cn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1=O ZINC000332955436 1184747796 /nfs/dbraw/zinc/74/77/96/1184747796.db2.gz GIVXSSGEZDPUHM-CVEARBPZSA-N 0 3 375.473 0.675 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000332928075 1184748208 /nfs/dbraw/zinc/74/82/08/1184748208.db2.gz MIZANQAVRCSDRT-BBRMVZONSA-N 0 3 397.545 0.837 20 0 GCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000530824479 1184767459 /nfs/dbraw/zinc/76/74/59/1184767459.db2.gz RBVQLFMKFMUBAG-GASCZTMLSA-N 0 3 388.534 0.017 20 0 GCADHN Cc1sc2ncc(C(=O)NCC(=O)NCCN3CCCCC3)c(=O)n2c1C ZINC000909320893 1184778086 /nfs/dbraw/zinc/77/80/86/1184778086.db2.gz MQUAAXVCALJULX-UHFFFAOYSA-N 0 3 391.497 0.705 20 0 GCADHN C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)CCN(C2CC2)C1 ZINC000655713633 1184782582 /nfs/dbraw/zinc/78/25/82/1184782582.db2.gz VMGPOPUFDBSPNL-CQSZACIVSA-N 0 3 381.502 0.486 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)c(OC)c1 ZINC000275599548 1184790583 /nfs/dbraw/zinc/79/05/83/1184790583.db2.gz HJCDJRXQQBLDPA-GOSISDBHSA-N 0 3 395.481 0.974 20 0 GCADHN O=C(CSCc1cc(=O)n2ccsc2n1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363376381 1184795941 /nfs/dbraw/zinc/79/59/41/1184795941.db2.gz LGSWGMANFRWHIG-UONOGXRCSA-N 0 3 394.522 0.969 20 0 GCADHN CCOC(=O)N1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)[C@@H](CO)C1 ZINC000890988359 1184805537 /nfs/dbraw/zinc/80/55/37/1184805537.db2.gz NSWGDNIXQICTNH-CVEARBPZSA-N 0 3 383.489 0.587 20 0 GCADHN CN(C)CCn1nccc1C(=O)N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000890994087 1184813307 /nfs/dbraw/zinc/81/33/07/1184813307.db2.gz HEEHWURKDBGEIT-NSHDSACASA-N 0 3 379.852 0.602 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 ZINC000647091422 1184814531 /nfs/dbraw/zinc/81/45/31/1184814531.db2.gz WZLVPQIOUUGTJC-UHFFFAOYSA-N 0 3 387.383 0.661 20 0 GCADHN CN(C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C1CCN(CCc2ccccn2)CC1 ZINC000471445997 1184844172 /nfs/dbraw/zinc/84/41/72/1184844172.db2.gz ZVUDRFYWULCUBE-ROUUACIJSA-N 0 3 389.500 0.763 20 0 GCADHN CCN1CCN(CCNC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255123322 1184845386 /nfs/dbraw/zinc/84/53/86/1184845386.db2.gz WEJBRAFIOCCFAZ-MFOYZWKCSA-N 0 3 394.541 0.721 20 0 GCADHN CN(C)S(=O)(=O)C1(CNC(=O)NC(C)(C)CCN2CCN(C)CC2)CC1 ZINC000891046766 1184866633 /nfs/dbraw/zinc/86/66/33/1184866633.db2.gz WDPHXBSFSAUWSN-UHFFFAOYSA-N 0 3 389.566 0.126 20 0 GCADHN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1n[nH]c3c1CNCC3)CC2 ZINC000188561881 1184880706 /nfs/dbraw/zinc/88/07/06/1184880706.db2.gz RVFNLURZJFKKQD-UHFFFAOYSA-N 0 3 375.454 0.509 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000655955610 1184898779 /nfs/dbraw/zinc/89/87/79/1184898779.db2.gz ZPJVKWJQWQBYCW-AWEZNQCLSA-N 0 3 387.415 0.543 20 0 GCADHN CCOC(=O)Cn1nc(C)c(CNC[C@@H]2CCCCN2S(C)(=O)=O)c1C ZINC000580006396 1184900501 /nfs/dbraw/zinc/90/05/01/1184900501.db2.gz XSCCQHUILDGVRY-HNNXBMFYSA-N 0 3 386.518 0.967 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000580006676 1184901660 /nfs/dbraw/zinc/90/16/60/1184901660.db2.gz IMNBYIIVDIDJKG-MRXNPFEDSA-N 0 3 396.532 0.367 20 0 GCADHN CN(C)C1(CN(C)S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCC1 ZINC000275678231 1184912434 /nfs/dbraw/zinc/91/24/34/1184912434.db2.gz YIZJYUGCGJOFDX-UHFFFAOYSA-N 0 3 381.458 0.139 20 0 GCADHN CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cn1 ZINC000275682177 1184927465 /nfs/dbraw/zinc/92/74/65/1184927465.db2.gz HTXWLWJHGSSGLQ-OAHLLOKOSA-N 0 3 394.497 0.901 20 0 GCADHN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000275688154 1184929996 /nfs/dbraw/zinc/92/99/96/1184929996.db2.gz XLAFJRHFSQBSOU-IEBWSBKVSA-N 0 3 375.469 0.724 20 0 GCADHN CC(C)N(C(=O)CN[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)C(C)C ZINC001266541171 1184931469 /nfs/dbraw/zinc/93/14/69/1184931469.db2.gz ZYRKHGSVPKPWHE-LSTDLKDCSA-N 0 3 381.517 0.874 20 0 GCADHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC000891091882 1184933016 /nfs/dbraw/zinc/93/30/16/1184933016.db2.gz ZASCJTBYFRKWSK-CABCVRRESA-N 0 3 384.440 0.910 20 0 GCADHN COC1CCN(CCNC(=O)NCc2ccc(S(N)(=O)=O)cc2C)CC1 ZINC000683726916 1184943887 /nfs/dbraw/zinc/94/38/87/1184943887.db2.gz OMYWURXPXRQXQG-UHFFFAOYSA-N 0 3 384.502 0.552 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000275704925 1184945682 /nfs/dbraw/zinc/94/56/82/1184945682.db2.gz LGQSZXAOGLIDPW-OAHLLOKOSA-N 0 3 394.497 0.749 20 0 GCADHN COCCN1C(=O)CCc2cc(NC(=O)NC[C@]3(O)CCN(C)C3)ccc21 ZINC000548011556 1184948023 /nfs/dbraw/zinc/94/80/23/1184948023.db2.gz JHKWQDOQCIDTBM-LJQANCHMSA-N 0 3 376.457 0.800 20 0 GCADHN COC1(CO)CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000656024864 1184961290 /nfs/dbraw/zinc/96/12/90/1184961290.db2.gz TVFCSTWIRPPRGM-GOSISDBHSA-N 0 3 385.464 0.956 20 0 GCADHN CCC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)cc1 ZINC000041718176 1184964571 /nfs/dbraw/zinc/96/45/71/1184964571.db2.gz AHOXJIWPJPCJRV-UHFFFAOYSA-N 0 3 375.473 0.727 20 0 GCADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1O ZINC000970688120 1184964754 /nfs/dbraw/zinc/96/47/54/1184964754.db2.gz DMOMIWOQJLTASA-ANQUJSFKSA-N 0 3 389.500 0.086 20 0 GCADHN C[C@H](CNC(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1)CN1CCN(C)CC1 ZINC000548017241 1184965644 /nfs/dbraw/zinc/96/56/44/1184965644.db2.gz XHCKUPDIXLIGGE-BPQIPLTHSA-N 0 3 378.521 0.823 20 0 GCADHN CN(C)CCN(Cc1ccccc1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000042636092 1184984303 /nfs/dbraw/zinc/98/43/03/1184984303.db2.gz CJVZUXYFPZTXLL-UHFFFAOYSA-N 0 3 395.463 0.836 20 0 GCADHN CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)n1 ZINC000656066964 1184999895 /nfs/dbraw/zinc/99/98/95/1184999895.db2.gz KJRAOPNJBSZEGT-AWEZNQCLSA-N 0 3 377.493 0.521 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000656077063 1185013869 /nfs/dbraw/zinc/01/38/69/1185013869.db2.gz JRLJQASEVRECJM-UHFFFAOYSA-N 0 3 377.449 0.228 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)CCn2c(C)cc(O)cc2=O)CC1 ZINC000275785403 1185048275 /nfs/dbraw/zinc/04/82/75/1185048275.db2.gz YATCSRLUQVEFIC-UHFFFAOYSA-N 0 3 379.457 0.644 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 ZINC000275790252 1185051690 /nfs/dbraw/zinc/05/16/90/1185051690.db2.gz BMXANTSAXPKWOK-SFHVURJKSA-N 0 3 387.484 0.297 20 0 GCADHN CCN(CCNC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21)CCC(F)(F)F ZINC000580122514 1185071936 /nfs/dbraw/zinc/07/19/36/1185071936.db2.gz CJQPFBQZXVLADO-ZIAGYGMSSA-N 0 3 378.439 0.930 20 0 GCADHN NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)NCCN2CCCOCC2)c1 ZINC000275799747 1185076405 /nfs/dbraw/zinc/07/64/05/1185076405.db2.gz IFQVDPJNCCNITJ-SFHVURJKSA-N 0 3 389.500 0.980 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)[C@@H](O)C1)N1CCCC1 ZINC000970857181 1185106992 /nfs/dbraw/zinc/10/69/92/1185106992.db2.gz SMRPIOUBIUHZIN-FPCVCCKLSA-N 0 3 375.469 0.945 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)CCCS(=O)(=O)N3CCCC3)C2)nn1 ZINC000580193766 1185112202 /nfs/dbraw/zinc/11/22/02/1185112202.db2.gz TWXRLXQZEJAZNJ-HNNXBMFYSA-N 0 3 384.506 0.106 20 0 GCADHN O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000580189484 1185112344 /nfs/dbraw/zinc/11/23/44/1185112344.db2.gz RKMVYEPKTBUCBQ-AWEZNQCLSA-N 0 3 384.440 0.334 20 0 GCADHN C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000580230912 1185125103 /nfs/dbraw/zinc/12/51/03/1185125103.db2.gz HCDPMXNUFCJZHB-IKGGRYGDSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@@H](C)S1 ZINC000580292546 1185142052 /nfs/dbraw/zinc/14/20/52/1185142052.db2.gz CZKBMFNMRRGLNJ-RBSFLKMASA-N 0 3 382.530 0.104 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000891238517 1185151320 /nfs/dbraw/zinc/15/13/20/1185151320.db2.gz SKAWFAMIQFIXNT-TVFCKZIOSA-N 0 3 375.469 0.978 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000891238519 1185151654 /nfs/dbraw/zinc/15/16/54/1185151654.db2.gz SKAWFAMIQFIXNT-XMTFNYHQSA-N 0 3 375.469 0.978 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCNC(=O)[C@H]3C)cc2)CC1 ZINC000275821590 1185152475 /nfs/dbraw/zinc/15/24/75/1185152475.db2.gz FOGPPGGLKVATMC-OAHLLOKOSA-N 0 3 387.484 0.110 20 0 GCADHN CCOC(=O)[C@]1(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCc2ccccc21 ZINC000610427810 1185171360 /nfs/dbraw/zinc/17/13/60/1185171360.db2.gz DSDBEVOCYQWWAM-IERDGZPVSA-N 0 3 387.480 0.918 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)CCO2 ZINC000891245680 1185175985 /nfs/dbraw/zinc/17/59/85/1185175985.db2.gz FMNMQWQXNBZGEH-PPXVZNSRSA-N 0 3 396.488 0.249 20 0 GCADHN Cn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000275846468 1185178938 /nfs/dbraw/zinc/17/89/38/1185178938.db2.gz IKVILIDARWZYOK-YESZJQIVSA-N 0 3 375.473 0.263 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000580347776 1185184474 /nfs/dbraw/zinc/18/44/74/1185184474.db2.gz KNUPVSVAIRJEOE-ONGXEEELSA-N 0 3 388.321 0.553 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000683894803 1185185361 /nfs/dbraw/zinc/18/53/61/1185185361.db2.gz KODPHVLTHNGJIA-CQSZACIVSA-N 0 3 397.497 0.425 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000683894802 1185185823 /nfs/dbraw/zinc/18/58/23/1185185823.db2.gz KODPHVLTHNGJIA-AWEZNQCLSA-N 0 3 397.497 0.425 20 0 GCADHN O=C(NC[C@H]1CCCS(=O)(=O)C1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000580350701 1185187582 /nfs/dbraw/zinc/18/75/82/1185187582.db2.gz PGNLLGCMWUEYGJ-IEBWSBKVSA-N 0 3 395.525 0.747 20 0 GCADHN C[C@H]1OCCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)[C@@H]1C ZINC000275864943 1185191614 /nfs/dbraw/zinc/19/16/14/1185191614.db2.gz BASQDHFUYZDQFI-CHWSQXEVSA-N 0 3 390.440 0.730 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1S(=O)(=O)N(C)C ZINC000275869077 1185194527 /nfs/dbraw/zinc/19/45/27/1185194527.db2.gz DTGCASIQOYRIKL-UHFFFAOYSA-N 0 3 396.513 0.736 20 0 GCADHN COCCO[C@@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000548087558 1185209780 /nfs/dbraw/zinc/20/97/80/1185209780.db2.gz OCZLJRUJGOIEBH-OAHLLOKOSA-N 0 3 379.457 0.959 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCc3nnc(C)[nH]3)c(C)c2)CC1 ZINC000275874699 1185212973 /nfs/dbraw/zinc/21/29/73/1185212973.db2.gz LAQJFQCPGIBNHB-UHFFFAOYSA-N 0 3 399.499 0.861 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(F)cc1 ZINC000580451585 1185234155 /nfs/dbraw/zinc/23/41/55/1185234155.db2.gz IVMBPUKZHHXLPV-XHSDSOJGSA-N 0 3 376.432 0.409 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000683945200 1185240662 /nfs/dbraw/zinc/24/06/62/1185240662.db2.gz IFIWUCRDYXAQDP-KBXCAEBGSA-N 0 3 394.497 0.747 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1 ZINC000683945175 1185240867 /nfs/dbraw/zinc/24/08/67/1185240867.db2.gz PMLZITIPXFBGDD-GUYCJALGSA-N 0 3 380.470 0.405 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000275892031 1185243832 /nfs/dbraw/zinc/24/38/32/1185243832.db2.gz HUSHRDADTUCAHU-UHFFFAOYSA-N 0 3 388.468 0.650 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000275900394 1185256332 /nfs/dbraw/zinc/25/63/32/1185256332.db2.gz JEPWMMSMSDREOR-UHFFFAOYSA-N 0 3 394.497 0.618 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000891295515 1185262154 /nfs/dbraw/zinc/26/21/54/1185262154.db2.gz DIYSNOSGEYYTPZ-DNVCBOLYSA-N 0 3 375.494 0.810 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000275904639 1185262756 /nfs/dbraw/zinc/26/27/56/1185262756.db2.gz JVQAEJYVMJGQBJ-UHFFFAOYSA-N 0 3 396.513 0.864 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)CCC(=O)NC)c2)CC1 ZINC000275906030 1185264938 /nfs/dbraw/zinc/26/49/38/1185264938.db2.gz WBIFVOVPSVZPSN-UHFFFAOYSA-N 0 3 375.473 0.362 20 0 GCADHN COc1ncc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1C(N)=O ZINC000275906507 1185264953 /nfs/dbraw/zinc/26/49/53/1185264953.db2.gz PXPDSJOVOLTOPB-LRDDRELGSA-N 0 3 399.451 0.935 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O ZINC000275913969 1185271495 /nfs/dbraw/zinc/27/14/95/1185271495.db2.gz LDXVPUPDYARAPM-UHFFFAOYSA-N 0 3 385.461 0.861 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)NC)c2)CC1 ZINC000275914003 1185271560 /nfs/dbraw/zinc/27/15/60/1185271560.db2.gz LFWNBGQVSFOOEE-OAHLLOKOSA-N 0 3 389.500 0.608 20 0 GCADHN O=C(NCCN1CCN(c2ncccn2)CC1)NC[C@H]1NCCc2ccccc21 ZINC000580631493 1185293519 /nfs/dbraw/zinc/29/35/19/1185293519.db2.gz AKHWKWMXBISESH-LJQANCHMSA-N 0 3 395.511 0.785 20 0 GCADHN CC1(C)CCc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580660499 1185299671 /nfs/dbraw/zinc/29/96/71/1185299671.db2.gz PUWHUYNYKKPOAW-UAGQMJEPSA-N 0 3 384.480 0.587 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000580663798 1185301395 /nfs/dbraw/zinc/30/13/95/1185301395.db2.gz WIXPNRBLPWKSGS-GOSISDBHSA-N 0 3 394.560 0.986 20 0 GCADHN CN1CCN(C[C@@H](O)CNCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000580709552 1185310618 /nfs/dbraw/zinc/31/06/18/1185310618.db2.gz FNPWCOIOMMMRGW-SFHVURJKSA-N 0 3 397.585 0.956 20 0 GCADHN CN1CCN(c2cc(C(=O)N3CCC[C@@H](n4cc(CN)nn4)C3)ccn2)CC1 ZINC000580718272 1185312426 /nfs/dbraw/zinc/31/24/26/1185312426.db2.gz SEIFMNXLXILXSS-QGZVFWFLSA-N 0 3 384.488 0.361 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000275932840 1185314458 /nfs/dbraw/zinc/31/44/58/1185314458.db2.gz OBTFUAOQNNUJIS-HNNXBMFYSA-N 0 3 390.484 0.783 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000580726511 1185316068 /nfs/dbraw/zinc/31/60/68/1185316068.db2.gz VJNVXZNCVADGDX-JQFCIGGWSA-N 0 3 385.468 0.828 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000580726512 1185316215 /nfs/dbraw/zinc/31/62/15/1185316215.db2.gz VJNVXZNCVADGDX-RRQGHBQHSA-N 0 3 385.468 0.828 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000275950516 1185331259 /nfs/dbraw/zinc/33/12/59/1185331259.db2.gz QYYSCTCGXASFCJ-UHFFFAOYSA-N 0 3 381.498 0.765 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000275966027 1185341441 /nfs/dbraw/zinc/34/14/41/1185341441.db2.gz UEBTZTQHFKUWMW-CABCVRRESA-N 0 3 394.497 0.666 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)NCCCCN2CCN(C)CC2)c(C)c1 ZINC000656296776 1185355355 /nfs/dbraw/zinc/35/53/55/1185355355.db2.gz OBVNCALILKQTIL-UHFFFAOYSA-N 0 3 375.517 0.501 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cn1 ZINC000656297103 1185358007 /nfs/dbraw/zinc/35/80/07/1185358007.db2.gz SXPNGAAKFPRINA-DLBZAZTESA-N 0 3 390.484 0.856 20 0 GCADHN COc1cc([C@H](C)NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(OC)c1OC ZINC000580785706 1185361261 /nfs/dbraw/zinc/36/12/61/1185361261.db2.gz LIGKSZPOYSRYDI-IACUBPJLSA-N 0 3 392.456 0.727 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)C(C1CC1)C1CC1 ZINC000580791293 1185363624 /nfs/dbraw/zinc/36/36/24/1185363624.db2.gz ZRKFXZXHTUGMAR-MRXNPFEDSA-N 0 3 378.517 0.692 20 0 GCADHN COCCN(CCOC)S(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000375633852 1185364354 /nfs/dbraw/zinc/36/43/54/1185364354.db2.gz DIDPSVAKYOTIRF-GOSISDBHSA-N 0 3 385.530 0.938 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000580804315 1185368060 /nfs/dbraw/zinc/36/80/60/1185368060.db2.gz SBARFDMKSDYVCM-RDJZCZTQSA-N 0 3 378.521 0.235 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000580804315 1185368070 /nfs/dbraw/zinc/36/80/70/1185368070.db2.gz SBARFDMKSDYVCM-RDJZCZTQSA-N 0 3 378.521 0.235 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656304621 1185378765 /nfs/dbraw/zinc/37/87/65/1185378765.db2.gz CWQBDNPFXIATTO-XWTMOSNGSA-N 0 3 382.549 0.837 20 0 GCADHN Cc1c(C(=O)NC[C@H]2CCCC(=O)N2)nnn1-c1cccc2c1CCN(C)C2 ZINC000684082086 1185383252 /nfs/dbraw/zinc/38/32/52/1185383252.db2.gz LPDXPRQIORSXRO-OAHLLOKOSA-N 0 3 382.468 0.962 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2sccc2-n2ccnn2)CC1 ZINC000580877688 1185401420 /nfs/dbraw/zinc/40/14/20/1185401420.db2.gz IWJSSVYNBDFWKA-UHFFFAOYSA-N 0 3 376.486 0.955 20 0 GCADHN Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC[C@H]1COCCO1 ZINC001707886998 1185406216 /nfs/dbraw/zinc/40/62/16/1185406216.db2.gz LUDVZRUFWHNMFL-MOPGFXCFSA-N 0 3 392.548 0.997 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(Cl)c1 ZINC000580904511 1185410480 /nfs/dbraw/zinc/41/04/80/1185410480.db2.gz VMHHKYZIVZVKHZ-FZMZJTMJSA-N 0 3 394.859 0.836 20 0 GCADHN C[C@H](O)CN(C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000656331255 1185425848 /nfs/dbraw/zinc/42/58/48/1185425848.db2.gz MYTHHRYCDXXNEE-QFBILLFUSA-N 0 3 389.496 0.766 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337537 1185434275 /nfs/dbraw/zinc/43/42/75/1185434275.db2.gz UNMGXNQVTGSWPL-NCOADZHNSA-N 0 3 382.549 0.837 20 0 GCADHN O=C(NCc1cc(=O)n2ccccc2n1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656342212 1185436468 /nfs/dbraw/zinc/43/64/68/1185436468.db2.gz VSENQIKSCWTXGI-CVEARBPZSA-N 0 3 383.452 0.444 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000656343691 1185437645 /nfs/dbraw/zinc/43/76/45/1185437645.db2.gz OVGJKTKDNHQDMB-ZKXLYKBJSA-N 0 3 382.549 0.837 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656342942 1185439164 /nfs/dbraw/zinc/43/91/64/1185439164.db2.gz IIUXQASCKWODPN-ILOCAZANSA-N 0 3 382.549 0.979 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000580963309 1185447174 /nfs/dbraw/zinc/44/71/74/1185447174.db2.gz YCISODOYUXBPGG-PKOBYXMFSA-N 0 3 393.509 0.413 20 0 GCADHN CC(C)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580963507 1185447347 /nfs/dbraw/zinc/44/73/47/1185447347.db2.gz OSOHUYYNOASKMG-QWHCGFSZSA-N 0 3 376.482 0.896 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000656353347 1185447466 /nfs/dbraw/zinc/44/74/66/1185447466.db2.gz AJIYOHUFHBLRPP-MSOLQXFVSA-N 0 3 378.517 0.443 20 0 GCADHN CC(C)OCCN1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656353320 1185447647 /nfs/dbraw/zinc/44/76/47/1185447647.db2.gz AFDIUXFAIGMSKO-ROUUACIJSA-N 0 3 380.533 0.689 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000656354069 1185451104 /nfs/dbraw/zinc/45/11/04/1185451104.db2.gz DYQWPWMPXZKBHF-IAGOWNOFSA-N 0 3 379.501 0.775 20 0 GCADHN COCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656354808 1185451762 /nfs/dbraw/zinc/45/17/62/1185451762.db2.gz DPBPCGCYDFSHNK-SJORKVTESA-N 0 3 394.516 0.121 20 0 GCADHN CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656354837 1185451899 /nfs/dbraw/zinc/45/18/99/1185451899.db2.gz DUJPJJIRAUCCIG-HZPDHXFCSA-N 0 3 378.517 0.836 20 0 GCADHN CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656354836 1185452132 /nfs/dbraw/zinc/45/21/32/1185452132.db2.gz DUJPJJIRAUCCIG-HOTGVXAUSA-N 0 3 378.517 0.836 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[C@H](c4cccc(F)c4)C3)CCN2C1=O ZINC000580964299 1185452158 /nfs/dbraw/zinc/45/21/58/1185452158.db2.gz WKDUWCBRYIFWMK-QMCVQRASSA-N 0 3 388.443 0.348 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)[C@@H](C)C1=O ZINC000656353460 1185452745 /nfs/dbraw/zinc/45/27/45/1185452745.db2.gz ATUTWSNZMRJDLR-BBWFWOEESA-N 0 3 378.517 0.835 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000656356182 1185454145 /nfs/dbraw/zinc/45/41/45/1185454145.db2.gz RKZGEDXQMJRABG-RTBURBONSA-N 0 3 385.512 0.859 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000656356158 1185454722 /nfs/dbraw/zinc/45/47/22/1185454722.db2.gz RFRWQOHPCRDQHZ-RCCFBDPRSA-N 0 3 378.517 0.443 20 0 GCADHN Cc1cc(Cn2nnc(C(=O)NC[C@H](C)CN3CCN(C)CC3)c2C)on1 ZINC000292112712 1185455034 /nfs/dbraw/zinc/45/50/34/1185455034.db2.gz AEJDDGTWSPUJFM-ZDUSSCGKSA-N 0 3 375.477 0.545 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(c2cc(C)[nH]n2)CC1 ZINC000580968777 1185456019 /nfs/dbraw/zinc/45/60/19/1185456019.db2.gz CIJRRJPAYVPLCC-MRXNPFEDSA-N 0 3 376.505 0.794 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000656355629 1185456106 /nfs/dbraw/zinc/45/61/06/1185456106.db2.gz MDTJAJNWTLATDG-KZNAEPCWSA-N 0 3 378.517 0.300 20 0 GCADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@H](C)O1 ZINC000656356511 1185456842 /nfs/dbraw/zinc/45/68/42/1185456842.db2.gz FECLFVDSUDCEGI-XMTFNYHQSA-N 0 3 380.533 0.687 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000656356880 1185457120 /nfs/dbraw/zinc/45/71/20/1185457120.db2.gz HUZHPNAHEBGSSR-OTWHNJEPSA-N 0 3 392.544 0.690 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000656356875 1185457384 /nfs/dbraw/zinc/45/73/84/1185457384.db2.gz HUZHPNAHEBGSSR-CEXWTWQISA-N 0 3 392.544 0.690 20 0 GCADHN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000557850858 1185458741 /nfs/dbraw/zinc/45/87/41/1185458741.db2.gz ZSPJBVQZUGNJSZ-XHSDSOJGSA-N 0 3 380.533 0.890 20 0 GCADHN CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656357886 1185459973 /nfs/dbraw/zinc/45/99/73/1185459973.db2.gz HLROEQXDCVMXMA-DLBZAZTESA-N 0 3 378.517 0.836 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656358550 1185460076 /nfs/dbraw/zinc/46/00/76/1185460076.db2.gz RXQDXCRNBZHTOO-IAGOWNOFSA-N 0 3 380.533 0.689 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)C[C@H]2CO)cn1 ZINC000656358714 1185460250 /nfs/dbraw/zinc/46/02/50/1185460250.db2.gz UBYNSKMYFMXJAU-XSLAGTTESA-N 0 3 389.500 0.088 20 0 GCADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@H]13)C[C@@H](C)O2 ZINC000656358980 1185460792 /nfs/dbraw/zinc/46/07/92/1185460792.db2.gz WBWZPERXFMQQOA-QRXRQMIZSA-N 0 3 379.501 0.914 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)no1 ZINC000656361139 1185464738 /nfs/dbraw/zinc/46/47/38/1185464738.db2.gz YREVLJCGXCMGKQ-ROUUACIJSA-N 0 3 389.500 0.760 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCCc1cccnc1 ZINC000581006707 1185467723 /nfs/dbraw/zinc/46/77/23/1185467723.db2.gz MNFDHEMQSOIESB-UHFFFAOYSA-N 0 3 397.522 0.938 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2nnnc2-c2ccsc2)CC1 ZINC000581015526 1185470090 /nfs/dbraw/zinc/47/00/90/1185470090.db2.gz WQOCGYJPDAKODI-UHFFFAOYSA-N 0 3 391.501 0.414 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)CSCC(=O)Nc2cc(C)on2)CC1 ZINC000048229496 1185476719 /nfs/dbraw/zinc/47/67/19/1185476719.db2.gz XUAZCLUSIDIIKZ-CYBMUJFWSA-N 0 3 383.518 0.797 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1=CCN(C)CC1 ZINC000276027903 1185500008 /nfs/dbraw/zinc/50/00/08/1185500008.db2.gz IHWHJZDGKJHWOE-CYBMUJFWSA-N 0 3 394.497 0.642 20 0 GCADHN CCc1ccc(CCNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000419399305 1185502753 /nfs/dbraw/zinc/50/27/53/1185502753.db2.gz YRFLCWZSICHVSN-GOSISDBHSA-N 0 3 384.484 0.822 20 0 GCADHN O=C(CNC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1)N1CCNCC1 ZINC000581120879 1185505014 /nfs/dbraw/zinc/50/50/14/1185505014.db2.gz AMJMUWUGWWBRFI-UHFFFAOYSA-N 0 3 397.483 0.793 20 0 GCADHN O=C(CNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)N1CCNCC1 ZINC000581120879 1185505017 /nfs/dbraw/zinc/50/50/17/1185505017.db2.gz AMJMUWUGWWBRFI-UHFFFAOYSA-N 0 3 397.483 0.793 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c1C ZINC000276029908 1185505696 /nfs/dbraw/zinc/50/56/96/1185505696.db2.gz IJWBFMLADZQUIA-CYBMUJFWSA-N 0 3 394.497 0.608 20 0 GCADHN O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000581129826 1185508802 /nfs/dbraw/zinc/50/88/02/1185508802.db2.gz AFSQVOVVENWJJT-HNNXBMFYSA-N 0 3 384.440 0.334 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1 ZINC000156010109 1185510972 /nfs/dbraw/zinc/51/09/72/1185510972.db2.gz FVINXSKXNXGPND-AWEZNQCLSA-N 0 3 396.557 0.954 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@@H]1O ZINC000581141395 1185511827 /nfs/dbraw/zinc/51/18/27/1185511827.db2.gz UMYKVJHRBIBNIC-IRXDYDNUSA-N 0 3 381.498 0.608 20 0 GCADHN COc1ccc(NC(=O)[C@@H](C)NC2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000581187556 1185525408 /nfs/dbraw/zinc/52/54/08/1185525408.db2.gz CJJDJZWDDXFCBB-GFCCVEGCSA-N 0 3 383.470 0.795 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000581195140 1185527828 /nfs/dbraw/zinc/52/78/28/1185527828.db2.gz LUJDQRZUQCTQLV-QGZVFWFLSA-N 0 3 380.514 0.768 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cccnc1OCC(F)F ZINC000276058169 1185537789 /nfs/dbraw/zinc/53/77/89/1185537789.db2.gz UNQWAOANIBZCAJ-UHFFFAOYSA-N 0 3 399.442 0.760 20 0 GCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cncc(OC)n1 ZINC000581255430 1185558860 /nfs/dbraw/zinc/55/88/60/1185558860.db2.gz HKFLCWKLDPKOTD-INIZCTEOSA-N 0 3 398.467 1.332 20 0 GCADHN CC(C)(C)O[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)[C@H]1n1cccn1 ZINC000581261625 1185560963 /nfs/dbraw/zinc/56/09/63/1185560963.db2.gz MNHQTIMGICICAY-IBEHDNSVSA-N 0 3 390.488 0.334 20 0 GCADHN CC[C@@]1(C)CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000276089035 1185561885 /nfs/dbraw/zinc/56/18/85/1185561885.db2.gz UAQYNNDFXRVHRM-SFHVURJKSA-N 0 3 383.514 0.884 20 0 GCADHN COCCNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000276106459 1185576224 /nfs/dbraw/zinc/57/62/24/1185576224.db2.gz OAMGCHDZSUZNSB-KRWDZBQOSA-N 0 3 392.500 0.980 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCCc2cc(F)cc3c2OCOC3)CC1=O ZINC000510385394 1185591434 /nfs/dbraw/zinc/59/14/34/1185591434.db2.gz XOMFVWBWABEZIG-AWEZNQCLSA-N 0 3 379.432 0.761 20 0 GCADHN C[C@H](NC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1)C(=O)N(C)C ZINC001266701137 1185593181 /nfs/dbraw/zinc/59/31/81/1185593181.db2.gz HFJXESPFNAELQK-JQVOGXOBSA-N 0 3 378.517 0.642 20 0 GCADHN COc1ccc(S(=O)(=O)N2CC(NC[C@@H]3CNc4ccnn4C3)C2)cc1 ZINC000684202357 1185606150 /nfs/dbraw/zinc/60/61/50/1185606150.db2.gz VFQJIDBNJXYEBZ-CYBMUJFWSA-N 0 3 377.470 0.596 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[C@@H]1CO ZINC000276144953 1185607557 /nfs/dbraw/zinc/60/75/57/1185607557.db2.gz CVUFQQURMBDCLE-RHSMWYFYSA-N 0 3 399.488 0.361 20 0 GCADHN O=C(N[C@H]1CCC(=O)NC12CCC2)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000581347235 1185609171 /nfs/dbraw/zinc/60/91/71/1185609171.db2.gz FQNGCMFVAHSVQP-INIZCTEOSA-N 0 3 376.501 0.781 20 0 GCADHN CCOC1CC(CCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000558428898 1185610816 /nfs/dbraw/zinc/61/08/16/1185610816.db2.gz BJKJXZWPLWPLJB-JCYILVPMSA-N 0 3 394.516 0.073 20 0 GCADHN CCOC1CC(CCNC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000558429175 1185610824 /nfs/dbraw/zinc/61/08/24/1185610824.db2.gz MPIHCDPKUAYNNM-XBMUEBEBSA-N 0 3 394.560 0.935 20 0 GCADHN COCCN1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000581362056 1185615803 /nfs/dbraw/zinc/61/58/03/1185615803.db2.gz OTYYFRRALGFJJL-UHFFFAOYSA-N 0 3 394.560 0.940 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000069124940 1185625365 /nfs/dbraw/zinc/62/53/65/1185625365.db2.gz RJLDJNSRUCIZKH-MRXNPFEDSA-N 0 3 388.534 0.956 20 0 GCADHN COc1ccc(N2C[C@H](C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CC2=O)c(OC)c1 ZINC000581379025 1185626456 /nfs/dbraw/zinc/62/64/56/1185626456.db2.gz AKZWSSKQFMPUNF-KCXAZCMYSA-N 0 3 377.441 0.190 20 0 GCADHN CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)N1CCOCC1 ZINC000581383651 1185629461 /nfs/dbraw/zinc/62/94/61/1185629461.db2.gz QCEPEWLVHLFRCX-ROUUACIJSA-N 0 3 380.533 0.546 20 0 GCADHN O=C(NCc1nnc(C2CCOCC2)[nH]1)NC[C@H]1CCN1C1CCOCC1 ZINC001687278391 1185648374 /nfs/dbraw/zinc/64/83/74/1185648374.db2.gz HHHBHDACZLLVHR-OAHLLOKOSA-N 0 3 378.477 0.751 20 0 GCADHN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000510418949 1185657932 /nfs/dbraw/zinc/65/79/32/1185657932.db2.gz BFDSCGRHNRMWGW-DLBZAZTESA-N 0 3 375.469 0.687 20 0 GCADHN CC[C@@H]1OCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000581415066 1185664368 /nfs/dbraw/zinc/66/43/68/1185664368.db2.gz XPSMHWPYZMVCOB-MSOLQXFVSA-N 0 3 395.525 0.818 20 0 GCADHN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[C@@H]1CO ZINC000276183550 1185667001 /nfs/dbraw/zinc/66/70/01/1185667001.db2.gz KPGSPHBWPRFGOL-FUHWJXTLSA-N 0 3 395.525 0.363 20 0 GCADHN CN(CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]21)C1CCC1 ZINC001021941583 1185682264 /nfs/dbraw/zinc/68/22/64/1185682264.db2.gz OJALHIWRSYMOOP-WBTNSWJXSA-N 0 3 376.501 0.432 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)N1CCC[C@H](C)C1 ZINC000581436812 1185691031 /nfs/dbraw/zinc/69/10/31/1185691031.db2.gz BFHXWIMGBAHJQI-LSDHHAIUSA-N 0 3 385.468 0.547 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000581440977 1185691936 /nfs/dbraw/zinc/69/19/36/1185691936.db2.gz XWTLKPVZYUMGSQ-ZIAGYGMSSA-N 0 3 399.278 0.423 20 0 GCADHN CCCNC(=O)CN1CCC(Nc2nc(NCC)nc(NC(C)(C)C)n2)CC1 ZINC000581446212 1185693956 /nfs/dbraw/zinc/69/39/56/1185693956.db2.gz JUWTWPLDBIQJRC-UHFFFAOYSA-N 0 3 392.552 0.760 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(C2CCOCC2)nn1 ZINC000581458233 1185696465 /nfs/dbraw/zinc/69/64/65/1185696465.db2.gz IGKWFNDOXVJEKD-UHFFFAOYSA-N 0 3 381.477 0.975 20 0 GCADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCCc1nnc2ccccn21 ZINC000581489177 1185726517 /nfs/dbraw/zinc/72/65/17/1185726517.db2.gz OQRCCBZQTBYXIE-KRWDZBQOSA-N 0 3 392.463 0.863 20 0 GCADHN C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581499327 1185729448 /nfs/dbraw/zinc/72/94/48/1185729448.db2.gz ASPOUYXTDVMRJL-UNEWFSDZSA-N 0 3 394.903 0.810 20 0 GCADHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3nnnn3CCOCC(F)(F)F)[C@@H]2C1 ZINC000581511841 1185734014 /nfs/dbraw/zinc/73/40/14/1185734014.db2.gz FFKXOORSSKIIMJ-MJBXVCDLSA-N 0 3 390.410 0.989 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000430610999 1185752387 /nfs/dbraw/zinc/75/23/87/1185752387.db2.gz NBNOWRJVQSLTPA-FUHWJXTLSA-N 0 3 386.496 0.770 20 0 GCADHN CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C)C2)cc(=O)[n-]1 ZINC000276350445 1185755846 /nfs/dbraw/zinc/75/58/46/1185755846.db2.gz HRQVFYGOFIBWSO-CVEARBPZSA-N 0 3 391.520 0.558 20 0 GCADHN CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)C2)cc(=O)[n-]1 ZINC000276350445 1185755851 /nfs/dbraw/zinc/75/58/51/1185755851.db2.gz HRQVFYGOFIBWSO-CVEARBPZSA-N 0 3 391.520 0.558 20 0 GCADHN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430611932 1185758636 /nfs/dbraw/zinc/75/86/36/1185758636.db2.gz QDFVJIOMOQEZON-HZPDHXFCSA-N 0 3 376.505 0.935 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)O1 ZINC001022017476 1185772006 /nfs/dbraw/zinc/77/20/06/1185772006.db2.gz KIQSEKNBKHUODM-XMTFNYHQSA-N 0 3 392.544 0.497 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC000581591512 1185776960 /nfs/dbraw/zinc/77/69/60/1185776960.db2.gz LGVAZOHKRRFGSB-CVEARBPZSA-N 0 3 377.489 0.089 20 0 GCADHN CCN(C(=O)CN1C[C@@H](c2cccc(F)c2)[C@H](N)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000581598483 1185780589 /nfs/dbraw/zinc/78/05/89/1185780589.db2.gz OMCHQMNDCZZRBM-IXDOHACOSA-N 0 3 383.489 0.588 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)CC1 ZINC000246502620 1185785901 /nfs/dbraw/zinc/78/59/01/1185785901.db2.gz HQVQKVWNMWGKHM-LESCRADOSA-N 0 3 376.501 0.541 20 0 GCADHN COc1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c(OC)c1 ZINC000581615131 1185787181 /nfs/dbraw/zinc/78/71/81/1185787181.db2.gz OSJJWGQQCJCCLV-QGZVFWFLSA-N 0 3 393.484 0.889 20 0 GCADHN CN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)CC(=O)N1CCNCC1 ZINC000430622109 1185801804 /nfs/dbraw/zinc/80/18/04/1185801804.db2.gz DOSGDDRHMYQXIC-UHFFFAOYSA-N 0 3 398.389 0.884 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NCCOc1cccc(F)c1 ZINC000430622413 1185802666 /nfs/dbraw/zinc/80/26/66/1185802666.db2.gz FVOQUIXTSWAGRY-MRXNPFEDSA-N 0 3 392.475 0.465 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000276468989 1185833049 /nfs/dbraw/zinc/83/30/49/1185833049.db2.gz DFQVAUARJQUPHX-UHFFFAOYSA-N 0 3 389.500 0.637 20 0 GCADHN CO[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)C2CCN(CCn3cccn3)CC2)C1 ZINC000581692754 1185849834 /nfs/dbraw/zinc/84/98/34/1185849834.db2.gz PILZJZMDHNAYMY-NVXWUHKLSA-N 0 3 377.489 0.490 20 0 GCADHN CCOc1cccc(CNC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000430645257 1185859009 /nfs/dbraw/zinc/85/90/09/1185859009.db2.gz ATYBUVSLRTYXET-GOSISDBHSA-N 0 3 388.512 0.845 20 0 GCADHN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000581716501 1185863578 /nfs/dbraw/zinc/86/35/78/1185863578.db2.gz XLPORBRHVSVVOC-WMLDXEAASA-N 0 3 394.903 0.698 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)CCc2ccccc2F)CC1 ZINC000656893157 1185872388 /nfs/dbraw/zinc/87/23/88/1185872388.db2.gz BPPYERANNOUFCK-UHFFFAOYSA-N 0 3 383.489 0.938 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@](C)(O)CN2c3ccccc3C(C)(C)C2=O)C[C@@H]1O ZINC000581735119 1185872656 /nfs/dbraw/zinc/87/26/56/1185872656.db2.gz HSDONEPNUDFLPA-TWOQFEAHSA-N 0 3 375.469 0.195 20 0 GCADHN COC(=O)C1CCN(C(=O)CN[C@@](C)(CO)Cc2ccc(OC)cc2)CC1 ZINC000933424777 1185886055 /nfs/dbraw/zinc/88/60/55/1185886055.db2.gz SMGJCHHVHMEHJL-HXUWFJFHSA-N 0 3 378.469 0.990 20 0 GCADHN CCOC(=O)N1CCN(C(=O)CN[C@](C)(CO)Cc2ccc(OC)cc2)CC1 ZINC000933424937 1185886106 /nfs/dbraw/zinc/88/61/06/1185886106.db2.gz VBJNOYRRHJPLTL-FQEVSTJZSA-N 0 3 393.484 0.879 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)c2ccccc2O1 ZINC000581774902 1185894511 /nfs/dbraw/zinc/89/45/11/1185894511.db2.gz ZTBZIIAPVFGOBA-PBHICJAKSA-N 0 3 383.404 0.770 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](N)c2ccccc2)c2ccccc2O1 ZINC000581774905 1185894526 /nfs/dbraw/zinc/89/45/26/1185894526.db2.gz ZTBZIIAPVFGOBA-YOEHRIQHSA-N 0 3 383.404 0.770 20 0 GCADHN CC(C)(CNC(=O)CN[C@@](C)(CO)Cc1ccc(F)cc1)N1CCOCC1 ZINC000933442010 1185894622 /nfs/dbraw/zinc/89/46/22/1185894622.db2.gz QUBIOJZALRHUNT-HXUWFJFHSA-N 0 3 381.492 0.936 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)[C@H](C)C1 ZINC000581777431 1185896898 /nfs/dbraw/zinc/89/68/98/1185896898.db2.gz IIQLHFYYZKYZIW-PBHICJAKSA-N 0 3 380.514 0.939 20 0 GCADHN CNc1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc(N[C@@H]2CCC[C@H]3OCC[C@H]32)n1 ZINC000471708755 1185899268 /nfs/dbraw/zinc/89/92/68/1185899268.db2.gz GXLDAHUWIGUPEN-IZKTWJBDSA-N 0 3 388.516 0.918 20 0 GCADHN COc1cccc([C@@H]2CNCCN2C(=O)N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000891528250 1185905746 /nfs/dbraw/zinc/90/57/46/1185905746.db2.gz NVNWXRSAPLXVIY-LPHOPBHVSA-N 0 3 375.517 0.987 20 0 GCADHN COCCN1CCC(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)CC1 ZINC000471726873 1185909312 /nfs/dbraw/zinc/90/93/12/1185909312.db2.gz NFZJHCXOQMFLNC-WMZOPIPTSA-N 0 3 396.511 0.743 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000891542329 1185910907 /nfs/dbraw/zinc/91/09/07/1185910907.db2.gz GKVADIZRANVGFA-QGZVFWFLSA-N 0 3 380.514 0.986 20 0 GCADHN CC(=O)c1ccc(OC[C@@H](O)CN[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)cc1 ZINC000581879810 1185927705 /nfs/dbraw/zinc/92/77/05/1185927705.db2.gz AIHGMONPDMDYIS-HQRMLTQVSA-N 0 3 386.452 0.972 20 0 GCADHN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430665369 1185927810 /nfs/dbraw/zinc/92/78/10/1185927810.db2.gz MQBBUFZYKLKVLB-GDBMZVCRSA-N 0 3 387.484 0.256 20 0 GCADHN COc1ccccc1CNC(=O)CNCCN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001266841175 1185935084 /nfs/dbraw/zinc/93/50/84/1185935084.db2.gz OODZIEDCZPWVBI-NUJGCVRESA-N 0 3 375.469 0.927 20 0 GCADHN O=S(=O)(Cc1ccccc1CNc1ccncc1CO)N1CCOCC1 ZINC000891618415 1185944247 /nfs/dbraw/zinc/94/42/47/1185944247.db2.gz RCFFRCKACGWOIS-UHFFFAOYSA-N 0 3 377.466 0.770 20 0 GCADHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCN1C(=O)CNC1=O ZINC000548306563 1185956493 /nfs/dbraw/zinc/95/64/93/1185956493.db2.gz HMDWAKNKKUDQOM-CYBMUJFWSA-N 0 3 380.470 0.771 20 0 GCADHN NC(=O)CCSc1ccccc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581895641 1185957692 /nfs/dbraw/zinc/95/76/92/1185957692.db2.gz LHGVFRRJUVPSHN-NEPJUHHUSA-N 0 3 377.470 0.430 20 0 GCADHN Cc1cnn(-c2c(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c(C)nn2C)c1 ZINC000548312312 1185960758 /nfs/dbraw/zinc/96/07/58/1185960758.db2.gz WPUHYYLAIITMET-INIZCTEOSA-N 0 3 399.499 0.601 20 0 GCADHN O=C(NCCc1nnc2n1CCCCC2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000891699468 1185984131 /nfs/dbraw/zinc/98/41/31/1185984131.db2.gz CIOYPKDQRAEFED-JKSUJKDBSA-N 0 3 376.505 0.788 20 0 GCADHN Cc1nnc(NC(=O)CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)s1 ZINC001691114427 1185986058 /nfs/dbraw/zinc/98/60/58/1185986058.db2.gz JMZOTPZUXKBJHC-ITGHMWBKSA-N 0 3 379.486 0.837 20 0 GCADHN O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000891750661 1186008305 /nfs/dbraw/zinc/00/83/05/1186008305.db2.gz QJLQPHUDNHUYSD-LNLFQRSKSA-N 0 3 393.509 0.736 20 0 GCADHN CN(C(=O)NCCCN1CCN(c2ncccn2)CC1)[C@H]1CCCN(C)C1 ZINC000891762002 1186015191 /nfs/dbraw/zinc/01/51/91/1186015191.db2.gz KRDCGFJWUYQQRK-KRWDZBQOSA-N 0 3 375.521 0.724 20 0 GCADHN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000581971193 1186016968 /nfs/dbraw/zinc/01/69/68/1186016968.db2.gz LYRYUIXQZGHKIR-PKOBYXMFSA-N 0 3 392.544 0.690 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCn4cnnc4[C@H]3C)c2)CC1 ZINC000276751644 1186017081 /nfs/dbraw/zinc/01/70/81/1186017081.db2.gz FCPYHZGVAOWNOI-OAHLLOKOSA-N 0 3 397.483 0.962 20 0 GCADHN CNC(=O)CCNC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000276754813 1186019440 /nfs/dbraw/zinc/01/94/40/1186019440.db2.gz GAMKPJFLQFUOTD-UHFFFAOYSA-N 0 3 389.500 0.716 20 0 GCADHN CN(CCNC(=O)C1CCN(C(=O)[C@@H]2COCCN2)CC1)Cc1ccccc1 ZINC000430791871 1186031559 /nfs/dbraw/zinc/03/15/59/1186031559.db2.gz FXQNAQUHJCYPDS-IBGZPJMESA-N 0 3 388.512 0.462 20 0 GCADHN CC[C@@H](O)[C@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000510629065 1186039646 /nfs/dbraw/zinc/03/96/46/1186039646.db2.gz KJGQRUWXHFMKTK-IAGOWNOFSA-N 0 3 383.514 0.618 20 0 GCADHN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@@H]3CNCCO3)c2)CC1 ZINC000430856539 1186040887 /nfs/dbraw/zinc/04/08/87/1186040887.db2.gz GCFGIMOEKJRMOB-MRXNPFEDSA-N 0 3 396.513 0.330 20 0 GCADHN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@H]3CNCCO3)c2)CC1 ZINC000430856538 1186041370 /nfs/dbraw/zinc/04/13/70/1186041370.db2.gz GCFGIMOEKJRMOB-INIZCTEOSA-N 0 3 396.513 0.330 20 0 GCADHN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000510690488 1186055135 /nfs/dbraw/zinc/05/51/35/1186055135.db2.gz IUHGUDZKLHOWTN-GJZGRUSLSA-N 0 3 384.546 0.460 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCc4nnnn4CC3)cc2)CC1 ZINC000562952403 1186070638 /nfs/dbraw/zinc/07/06/38/1186070638.db2.gz MESVEIUZDNVAHJ-GOSISDBHSA-N 0 3 398.515 0.625 20 0 GCADHN COc1cc(CNC(=O)CN(C)C2(CO)CCOCC2)cc(OC)c1OC ZINC000276801155 1186071722 /nfs/dbraw/zinc/07/17/22/1186071722.db2.gz RCQVHAPTYCFHBI-UHFFFAOYSA-N 0 3 382.457 0.802 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN(C)C3(CO)CCOCC3)CC2)cc1 ZINC000276802883 1186074004 /nfs/dbraw/zinc/07/40/04/1186074004.db2.gz RJOQJBSHSZXXSJ-UHFFFAOYSA-N 0 3 391.512 0.813 20 0 GCADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCc2cn(C)nc2OC)CC1 ZINC000933817434 1186085902 /nfs/dbraw/zinc/08/59/02/1186085902.db2.gz GGBGVGSATODKAL-UHFFFAOYSA-N 0 3 393.488 0.148 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)NCCOc1cccc(F)c1 ZINC000510748780 1186098611 /nfs/dbraw/zinc/09/86/11/1186098611.db2.gz JTHXHUVGNDJWIS-JKSUJKDBSA-N 0 3 387.477 0.771 20 0 GCADHN COC(=O)C1([C@]2(O)CCCN(CCCN3C(=O)NC(C)(C)C3=O)C2)CCC1 ZINC000933839828 1186106229 /nfs/dbraw/zinc/10/62/29/1186106229.db2.gz DFSAJQTYWIXQER-IBGZPJMESA-N 0 3 381.473 0.877 20 0 GCADHN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933846843 1186109288 /nfs/dbraw/zinc/10/92/88/1186109288.db2.gz FSKDNMJCKPXRCW-UHFFFAOYSA-N 0 3 395.525 0.897 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000933846816 1186109381 /nfs/dbraw/zinc/10/93/81/1186109381.db2.gz MUHJTTKBQTZXDO-UHFFFAOYSA-N 0 3 382.549 0.651 20 0 GCADHN C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)COC2CNC2)CC1 ZINC000431042252 1186111597 /nfs/dbraw/zinc/11/15/97/1186111597.db2.gz FIMIOYILTXCMGO-LBPRGKRZSA-N 0 3 377.470 0.992 20 0 GCADHN COc1cncc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 ZINC001087181434 1186117616 /nfs/dbraw/zinc/11/76/16/1186117616.db2.gz RFUHCYBFAGQZLX-XYVMCAHJSA-N 0 3 391.516 0.921 20 0 GCADHN C[C@H](NC(=O)NCc1ccc(S(=O)(=O)CCO)cc1)C1=CCN(C)CC1 ZINC000276912986 1186144899 /nfs/dbraw/zinc/14/48/99/1186144899.db2.gz WRSAIANJFDMDRO-AWEZNQCLSA-N 0 3 381.498 0.902 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000520083058 1186146197 /nfs/dbraw/zinc/14/61/97/1186146197.db2.gz ILDGPPGSOSSGNX-KGLIPLIRSA-N 0 3 396.513 0.770 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(=O)n(Cc2nc(C)no2)c1 ZINC000468756263 1186149537 /nfs/dbraw/zinc/14/95/37/1186149537.db2.gz AJOXQVZLJUQIJA-OAHLLOKOSA-N 0 3 375.429 0.429 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 ZINC000610727636 1186151046 /nfs/dbraw/zinc/15/10/46/1186151046.db2.gz LJDMJJUESJWPAW-IAGOWNOFSA-N 0 3 386.562 0.427 20 0 GCADHN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000610727345 1186151273 /nfs/dbraw/zinc/15/12/73/1186151273.db2.gz POIBROQMZHRBDU-HNNXBMFYSA-N 0 3 398.529 0.784 20 0 GCADHN COCCOc1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cn1 ZINC000891911554 1186152154 /nfs/dbraw/zinc/15/21/54/1186152154.db2.gz XDMSDGGKQUEOCY-IRXDYDNUSA-N 0 3 378.473 0.847 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NN3CCCNC3=O)c(C)c2)CC1 ZINC000276925640 1186155333 /nfs/dbraw/zinc/15/53/33/1186155333.db2.gz ATBXHBTUMNMTFG-UHFFFAOYSA-N 0 3 388.472 0.522 20 0 GCADHN COCCOc1ncccc1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000891913415 1186155532 /nfs/dbraw/zinc/15/55/32/1186155532.db2.gz WXEBEFOLPBJBTF-IAGOWNOFSA-N 0 3 378.473 0.847 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000610732233 1186155811 /nfs/dbraw/zinc/15/58/11/1186155811.db2.gz MKUHDYUVJKQNFA-HNNXBMFYSA-N 0 3 389.566 0.124 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)CC1 ZINC000471952363 1186160178 /nfs/dbraw/zinc/16/01/78/1186160178.db2.gz NDCCULHCRVLAHT-GJZGRUSLSA-N 0 3 386.500 0.823 20 0 GCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000891925924 1186162911 /nfs/dbraw/zinc/16/29/11/1186162911.db2.gz KPOWAVLZRMFFHK-IAGOWNOFSA-N 0 3 380.514 0.984 20 0 GCADHN COC(=O)COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000544010849 1186163069 /nfs/dbraw/zinc/16/30/69/1186163069.db2.gz FQAVUOBKIMMZQS-SFHVURJKSA-N 0 3 375.469 0.977 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1=O ZINC000548479744 1186172021 /nfs/dbraw/zinc/17/20/21/1186172021.db2.gz XLWDGQNCFOAHLP-MRXNPFEDSA-N 0 3 388.516 0.731 20 0 GCADHN Cn1cc(N2CC[C@@H](N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001022455223 1186178696 /nfs/dbraw/zinc/17/86/96/1186178696.db2.gz MCJGQEUBLAGCON-IYEBQCRDSA-N 0 3 385.468 0.186 20 0 GCADHN CCCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001691364134 1186193768 /nfs/dbraw/zinc/19/37/68/1186193768.db2.gz VTWMBLLTRKMISH-NLEPDTAZSA-N 0 3 381.517 0.781 20 0 GCADHN O=C(NC[C@@H]1Cc2ccccc2CN1)NCC1(N2CCOCC2)CCOCC1 ZINC000891953099 1186197570 /nfs/dbraw/zinc/19/75/70/1186197570.db2.gz NNCRUGZGTCLOBA-IBGZPJMESA-N 0 3 388.512 0.882 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](N3CCN(C)CC3)[C@@H](C)C1)CC2 ZINC000535724454 1186204569 /nfs/dbraw/zinc/20/45/69/1186204569.db2.gz UURDDFDWLJOCFK-USXIJHARSA-N 0 3 375.521 0.569 20 0 GCADHN Cc1ccccc1CN1CCN(C(=O)CN2CCN(C)CCN(C)CC2)CC1 ZINC000933995186 1186209845 /nfs/dbraw/zinc/20/98/45/1186209845.db2.gz AODRFJICDMTRJP-UHFFFAOYSA-N 0 3 387.572 0.818 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)N3CCN(C(=O)CO)CC3)c(C)c2)CC1 ZINC000535775008 1186213721 /nfs/dbraw/zinc/21/37/21/1186213721.db2.gz KKYVCGDHRDICAI-UHFFFAOYSA-N 0 3 389.500 0.805 20 0 GCADHN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000458227035 1186218082 /nfs/dbraw/zinc/21/80/82/1186218082.db2.gz OJLOHJGRNVHRKU-DLBZAZTESA-N 0 3 395.548 0.875 20 0 GCADHN COC(=O)[C@H]1CN(C[C@H](O)CC(C)(C)O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045899 1186226128 /nfs/dbraw/zinc/22/61/28/1186226128.db2.gz KQMSYMZUTQVPJK-ZIAGYGMSSA-N 0 3 386.489 0.850 20 0 GCADHN CN(CCN1CCN(C(=O)C(=O)Nc2cnn(C)c2)CC1)Cc1ccccc1 ZINC000156595558 1186244300 /nfs/dbraw/zinc/24/43/00/1186244300.db2.gz ILNHFQWUGOGVIV-UHFFFAOYSA-N 0 3 384.484 0.635 20 0 GCADHN Cn1c2ccc(NC(=O)CCC(=O)Nc3ccc4c(c3)CNC4)nc2n(C)c1=O ZINC000563114688 1186250405 /nfs/dbraw/zinc/25/04/05/1186250405.db2.gz CNKHKMUMTIRQAF-UHFFFAOYSA-N 0 3 394.435 1.233 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](CNCc2cnnn2C)C1 ZINC001087191964 1186262215 /nfs/dbraw/zinc/26/22/15/1186262215.db2.gz PYRPAIUADHYCBS-WTTBNOFXSA-N 0 3 392.504 0.345 20 0 GCADHN CC1CCN(CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@H]32)CC1 ZINC001022516473 1186263703 /nfs/dbraw/zinc/26/37/03/1186263703.db2.gz RKFJXKGVZTXIPX-FCGDIQPGSA-N 0 3 392.544 0.497 20 0 GCADHN Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCN1CCCS1(=O)=O ZINC001707912861 1186268819 /nfs/dbraw/zinc/26/88/19/1186268819.db2.gz IUPFQPPEMAPIEX-UHFFFAOYSA-N 0 3 382.534 0.687 20 0 GCADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@]1(O)CCO[C@H]1C ZINC001707913290 1186269645 /nfs/dbraw/zinc/26/96/45/1186269645.db2.gz XCIQBBLOAXLTDJ-YZVOILCLSA-N 0 3 379.505 0.816 20 0 GCADHN CN(C)CCn1cc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)ccc1=O ZINC000535896350 1186275750 /nfs/dbraw/zinc/27/57/50/1186275750.db2.gz LDUHRXZYQURGEU-CQSZACIVSA-N 0 3 381.458 0.369 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@H](C[NH2+]Cc2nc(=O)n(C)[n-]2)C1 ZINC001087193955 1186288169 /nfs/dbraw/zinc/28/81/69/1186288169.db2.gz UQQGFTTYZZNCKR-LXTVHRRPSA-N 0 3 387.488 0.362 20 0 GCADHN Cn1cc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1=O ZINC000277209593 1186295091 /nfs/dbraw/zinc/29/50/91/1186295091.db2.gz XUTYIXHQIJGSBC-SFHVURJKSA-N 0 3 398.463 0.731 20 0 GCADHN CCN1CCN(CCCNC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1 ZINC000277222596 1186297865 /nfs/dbraw/zinc/29/78/65/1186297865.db2.gz WQILUMXLPNLXAN-OAQYLSRUSA-N 0 3 388.512 0.537 20 0 GCADHN Cc1nc(C)n(CCN(C)[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n1 ZINC000971996598 1186321666 /nfs/dbraw/zinc/32/16/66/1186321666.db2.gz FXWMUZTUAAUCPH-XLAORIBOSA-N 0 3 377.489 0.479 20 0 GCADHN COC(=O)c1cn(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000277296640 1186322258 /nfs/dbraw/zinc/32/22/58/1186322258.db2.gz JMBGFLQFLAEFPG-MRXNPFEDSA-N 0 3 387.440 0.472 20 0 GCADHN COc1cccc2c1CC[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C2 ZINC000277339544 1186340319 /nfs/dbraw/zinc/34/03/19/1186340319.db2.gz XYGACIYQRKQYTK-RYQLBKOJSA-N 0 3 380.510 0.640 20 0 GCADHN COC1CCN(CCNC(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CC1 ZINC000684695906 1186340796 /nfs/dbraw/zinc/34/07/96/1186340796.db2.gz XQFQGTDMGYZCNY-UHFFFAOYSA-N 0 3 385.490 0.564 20 0 GCADHN CC(C)c1ccccc1OCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582015011 1186342368 /nfs/dbraw/zinc/34/23/68/1186342368.db2.gz WWSNPENOUNBSRH-ZBFHGGJFSA-N 0 3 388.468 0.075 20 0 GCADHN O=C(NCCCn1nc2n(c1=O)CCCC2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892103332 1186342972 /nfs/dbraw/zinc/34/29/72/1186342972.db2.gz YJKJYWDSAUXEMU-HZPDHXFCSA-N 0 3 392.504 0.012 20 0 GCADHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1CCN1CCCS1(=O)=O ZINC000548612027 1186343412 /nfs/dbraw/zinc/34/34/12/1186343412.db2.gz GKMRZZHVFUWZTF-GOSISDBHSA-N 0 3 392.481 0.218 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)C1 ZINC000684702152 1186350945 /nfs/dbraw/zinc/35/09/45/1186350945.db2.gz QQMRDEDRQRVKPK-MRXNPFEDSA-N 0 3 383.474 0.054 20 0 GCADHN CCCN1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1=O ZINC000472105086 1186353482 /nfs/dbraw/zinc/35/34/82/1186353482.db2.gz ZIYMKIRHISVXFQ-MRXNPFEDSA-N 0 3 381.521 0.583 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)C1=O ZINC000277376426 1186354059 /nfs/dbraw/zinc/35/40/59/1186354059.db2.gz ZXPAGNAUUASWOA-GJZGRUSLSA-N 0 3 378.477 0.370 20 0 GCADHN NC(=O)[C@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000277391242 1186358319 /nfs/dbraw/zinc/35/83/19/1186358319.db2.gz DPWZNCSSMCMGON-DLBZAZTESA-N 0 3 376.457 0.173 20 0 GCADHN COc1cc(F)c(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1F ZINC000157564709 1186364828 /nfs/dbraw/zinc/36/48/28/1186364828.db2.gz XERNCYAXDUIBQF-LBPRGKRZSA-N 0 3 384.427 0.912 20 0 GCADHN O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)[C@H]1CN2CCN1CCC2 ZINC000548651756 1186375926 /nfs/dbraw/zinc/37/59/26/1186375926.db2.gz KWDVSVVVJMVGBI-QGZVFWFLSA-N 0 3 376.432 0.627 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000934254608 1186381220 /nfs/dbraw/zinc/38/12/20/1186381220.db2.gz DFGGHCVULLDZKA-IAGOWNOFSA-N 0 3 382.505 0.255 20 0 GCADHN CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000934254609 1186381419 /nfs/dbraw/zinc/38/14/19/1186381419.db2.gz YGZAQIIFALYURZ-SJORKVTESA-N 0 3 381.498 0.560 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000277449639 1186387737 /nfs/dbraw/zinc/38/77/37/1186387737.db2.gz KFMQDAKCSYZOCU-ROUUACIJSA-N 0 3 390.484 0.434 20 0 GCADHN COCCOc1ccc(CNC(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934261209 1186388562 /nfs/dbraw/zinc/38/85/62/1186388562.db2.gz PVEWWLRRRQANBM-PMACEKPBSA-N 0 3 391.512 0.859 20 0 GCADHN C[C@](O)(CN1CC[C@@H]2[C@H]1CCCN2CCO)c1ccc(S(C)(=O)=O)cc1 ZINC000934263917 1186392585 /nfs/dbraw/zinc/39/25/85/1186392585.db2.gz FBLABUWURJVLOY-QRVBRYPASA-N 0 3 382.526 0.829 20 0 GCADHN C[C@](O)(CN1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccc(S(C)(=O)=O)cc1 ZINC000934263916 1186392987 /nfs/dbraw/zinc/39/29/87/1186392987.db2.gz FBLABUWURJVLOY-OTWHNJEPSA-N 0 3 382.526 0.829 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000892169937 1186395872 /nfs/dbraw/zinc/39/58/72/1186395872.db2.gz BEWHDIPRIKATLF-QZTJIDSGSA-N 0 3 390.484 0.552 20 0 GCADHN COC(=O)c1cnc(CC2CCN(C(=O)NC[C@H]3CNCCO3)CC2)s1 ZINC000892183569 1186410184 /nfs/dbraw/zinc/41/01/84/1186410184.db2.gz ISEFYDMDNNTLPZ-CYBMUJFWSA-N 0 3 382.486 0.882 20 0 GCADHN COc1ccccc1[C@@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000157991904 1186412556 /nfs/dbraw/zinc/41/25/56/1186412556.db2.gz VGVHFJUWXJWGMF-CQSZACIVSA-N 0 3 383.452 0.932 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000431368537 1186445148 /nfs/dbraw/zinc/44/51/48/1186445148.db2.gz HUTFLMIPDPCSEV-UHFFFAOYSA-N 0 3 377.489 0.812 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)Nc3ccc4c(c3)C(=O)N(CC3CC3)C4=O)CCN2C1=O ZINC000582192231 1186459409 /nfs/dbraw/zinc/45/94/09/1186459409.db2.gz CDUFWZUDGMHUTD-BBRMVZONSA-N 0 3 397.435 0.468 20 0 GCADHN C[C@@H](c1cccc(NC(=O)C(=O)NCCN(C)CCO)c1)N1CCOCC1 ZINC000892219025 1186459515 /nfs/dbraw/zinc/45/95/15/1186459515.db2.gz NPIWXXXXWHSZEZ-HNNXBMFYSA-N 0 3 378.473 0.059 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc2ncsc2c1 ZINC000582193012 1186460987 /nfs/dbraw/zinc/46/09/87/1186460987.db2.gz CDYUGYMLAPTJPR-UHTWSYAYSA-N 0 3 387.465 0.244 20 0 GCADHN O=C(CN1CC[C@H](c2nnc[nH]2)C1)NCC1(N2CCOCC2)CCCCC1 ZINC000582237546 1186473328 /nfs/dbraw/zinc/47/33/28/1186473328.db2.gz WNLDOKUDGZFHDM-INIZCTEOSA-N 0 3 376.505 0.745 20 0 GCADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)C1 ZINC000277523661 1186474641 /nfs/dbraw/zinc/47/46/41/1186474641.db2.gz TVKUCTVSQBHGEC-CYBMUJFWSA-N 0 3 392.485 0.931 20 0 GCADHN C[C@@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C(N)=O)O1 ZINC000277531692 1186483044 /nfs/dbraw/zinc/48/30/44/1186483044.db2.gz SNFHXEVZUNNWNG-NJAFHUGGSA-N 0 3 390.484 0.562 20 0 GCADHN C[C@@H]1NCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)[C@H]1C ZINC000277537262 1186489012 /nfs/dbraw/zinc/48/90/12/1186489012.db2.gz VWZZXIXHIMXSNJ-STQMWFEESA-N 0 3 385.461 0.669 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000582311994 1186493699 /nfs/dbraw/zinc/49/36/99/1186493699.db2.gz GCSXXAQFTQVHKK-OLZOCXBDSA-N 0 3 384.358 0.206 20 0 GCADHN COC(=O)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(C(=O)OC)c1 ZINC000582313123 1186494241 /nfs/dbraw/zinc/49/42/41/1186494241.db2.gz ZDSVBXZOAFYGDX-ZIAGYGMSSA-N 0 3 390.396 0.036 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Sc1ccccc1 ZINC000582313056 1186494301 /nfs/dbraw/zinc/49/43/01/1186494301.db2.gz XCLJBAFYYAMMAV-UMVBOHGHSA-N 0 3 376.482 0.054 20 0 GCADHN O=C(NCCCN1CCOCC1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000582374047 1186506734 /nfs/dbraw/zinc/50/67/34/1186506734.db2.gz XYGNVNDCKQUQDR-UHFFFAOYSA-N 0 3 394.560 0.987 20 0 GCADHN O=C(CN[C@@H]1CCOC12CCOCC2)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000934406112 1186508786 /nfs/dbraw/zinc/50/87/86/1186508786.db2.gz NTENZICPJWOABU-OAHLLOKOSA-N 0 3 383.395 0.947 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(OC)ccc2C(=O)OC)CC1 ZINC000611595204 1186511711 /nfs/dbraw/zinc/51/17/11/1186511711.db2.gz ZEDJPUXMLHDSAG-UHFFFAOYSA-N 0 3 392.456 0.174 20 0 GCADHN CC(C)(C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1)N1CCCCC1 ZINC001022727495 1186513383 /nfs/dbraw/zinc/51/33/83/1186513383.db2.gz CXWPLDICDHQTDN-XUWVNRHRSA-N 0 3 376.501 0.432 20 0 GCADHN CCn1c(=O)c2ccccc2n(CC(=O)C(C#N)C(=O)NC2CCCC2)c1=O ZINC000051653116 1186519597 /nfs/dbraw/zinc/51/95/97/1186519597.db2.gz NCCXSRCHSAZQMI-OAHLLOKOSA-N 0 3 382.420 0.951 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000110867473 1186520922 /nfs/dbraw/zinc/52/09/22/1186520922.db2.gz PRRVOXCWQUMSJW-IBGZPJMESA-N 0 3 388.512 0.510 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000560013188 1186529063 /nfs/dbraw/zinc/52/90/63/1186529063.db2.gz SROMZZDOMMLPCJ-MRXNPFEDSA-N 0 3 379.432 0.951 20 0 GCADHN Cn1cnc2c1c(=O)n(CCCN1CCC[C@H]1[C@H](O)C(F)(F)F)c(=O)n2C ZINC000111232079 1186530315 /nfs/dbraw/zinc/53/03/15/1186530315.db2.gz USTPLLUDIDCYSG-JQWIXIFHSA-N 0 3 389.378 0.211 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(-c3cn(C)nn3)c2)CC1 ZINC000582431472 1186530888 /nfs/dbraw/zinc/53/08/88/1186530888.db2.gz GGEZYAPCBAFLIH-UHFFFAOYSA-N 0 3 399.499 0.564 20 0 GCADHN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000892262524 1186535079 /nfs/dbraw/zinc/53/50/79/1186535079.db2.gz KRJSSMCACKVYRF-IAGOWNOFSA-N 0 3 378.473 0.867 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2nnc(C)s2)CC1 ZINC000582451245 1186535873 /nfs/dbraw/zinc/53/58/73/1186535873.db2.gz AZNITBDVADOUOP-GFCCVEGCSA-N 0 3 396.517 0.036 20 0 GCADHN COc1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1OCCO ZINC000684878009 1186536509 /nfs/dbraw/zinc/53/65/09/1186536509.db2.gz AXSLZESNQWWIOV-INIZCTEOSA-N 0 3 391.468 0.621 20 0 GCADHN CCn1nnc(C)c1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001087211939 1186547363 /nfs/dbraw/zinc/54/73/63/1186547363.db2.gz HHKFYRZXQFQOFI-NQZOLGFYSA-N 0 3 392.504 0.356 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000413495718 1186551874 /nfs/dbraw/zinc/55/18/74/1186551874.db2.gz JNXDSDOTUXAVTR-SNVBAGLBSA-N 0 3 395.403 0.894 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1SC ZINC000582497974 1186551909 /nfs/dbraw/zinc/55/19/09/1186551909.db2.gz CGGXBHRSILVVPM-RYUDHWBXSA-N 0 3 378.454 0.126 20 0 GCADHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582498852 1186552093 /nfs/dbraw/zinc/55/20/93/1186552093.db2.gz YCYKVTLEKRVXLS-SJORKVTESA-N 0 3 382.468 0.671 20 0 GCADHN COC[C@@H](Nc1nc(NCCO)nc(NC(C)C)n1)c1cccc(Cl)c1 ZINC000582508445 1186554906 /nfs/dbraw/zinc/55/49/06/1186554906.db2.gz NPDKTXZBTNNVMH-CQSZACIVSA-N 0 3 380.880 0.815 20 0 GCADHN Cn1cc([C@@H]2CN(CCOc3ccc(S(N)(=O)=O)cc3)C[C@H]2CO)cn1 ZINC000277668063 1186558207 /nfs/dbraw/zinc/55/82/07/1186558207.db2.gz FKWGFRCUDJOSBD-YOEHRIQHSA-N 0 3 380.470 0.154 20 0 GCADHN CN1CCN(CCNC(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)CC1(C)C ZINC000582525566 1186558522 /nfs/dbraw/zinc/55/85/22/1186558522.db2.gz YXNCGPRHJQRVTP-WBVHZDCISA-N 0 3 377.489 0.942 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000582538902 1186560485 /nfs/dbraw/zinc/56/04/85/1186560485.db2.gz KEFMIVOSUILOLU-LLLOQXOTSA-N 0 3 392.544 0.686 20 0 GCADHN O=C(Cn1nnc(-c2ccccc2)n1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159205941 1186562278 /nfs/dbraw/zinc/56/22/78/1186562278.db2.gz HSBGFBCJNYLRHQ-LJQANCHMSA-N 0 3 392.463 0.876 20 0 GCADHN C[C@H]1OCC[C@@]1(O)CNCc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC000657456505 1186563031 /nfs/dbraw/zinc/56/30/31/1186563031.db2.gz YYPKAHPRGNKGMG-ZUOKHONESA-N 0 3 384.436 0.846 20 0 GCADHN C[C@H]1OCC[C@]1(O)CNCc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC000657456504 1186563176 /nfs/dbraw/zinc/56/31/76/1186563176.db2.gz YYPKAHPRGNKGMG-XCLFUZPHSA-N 0 3 384.436 0.846 20 0 GCADHN CNC(=O)c1cccc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001087214898 1186567843 /nfs/dbraw/zinc/56/78/43/1186567843.db2.gz UPGZFBVXMVVSTQ-RNJTYBCJSA-N 0 3 386.496 0.884 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000582563421 1186568388 /nfs/dbraw/zinc/56/83/88/1186568388.db2.gz XCRQJJUTSYIDAL-IRXDYDNUSA-N 0 3 396.532 0.319 20 0 GCADHN C[C@H]1[C@@H](NC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)CCCN1C ZINC000431459547 1186578288 /nfs/dbraw/zinc/57/82/88/1186578288.db2.gz SCWOODXIHKEVOS-BBRMVZONSA-N 0 3 384.502 0.837 20 0 GCADHN Cn1cc(CNC[C@]2(C)CCC(=O)N2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657488971 1186582030 /nfs/dbraw/zinc/58/20/30/1186582030.db2.gz VNXCEXPCPKTTKY-FQEVSTJZSA-N 0 3 381.436 0.975 20 0 GCADHN COc1cc(OC)c(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OC)c1 ZINC000582617489 1186586816 /nfs/dbraw/zinc/58/68/16/1186586816.db2.gz PUSBFCWTUQIBOE-IUODEOHRSA-N 0 3 392.456 0.208 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000582653858 1186598854 /nfs/dbraw/zinc/59/88/54/1186598854.db2.gz CCWLJNNYJZXKSA-INIZCTEOSA-N 0 3 378.492 0.874 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C ZINC000934577670 1186602354 /nfs/dbraw/zinc/60/23/54/1186602354.db2.gz QWMJXXOXRSDTPV-VHDGCEQUSA-N 0 3 380.489 0.663 20 0 GCADHN Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(O[C@H]2CCOC2)c1 ZINC000582677530 1186606498 /nfs/dbraw/zinc/60/64/98/1186606498.db2.gz YYUBOCMRACBFPR-YESZJQIVSA-N 0 3 388.468 0.616 20 0 GCADHN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000116622090 1186609767 /nfs/dbraw/zinc/60/97/67/1186609767.db2.gz NGTVESFYKBNJGV-CYBMUJFWSA-N 0 3 389.456 0.507 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)CC1 ZINC000657521688 1186610632 /nfs/dbraw/zinc/61/06/32/1186610632.db2.gz QFRNZBRLYDHEKJ-CQSZACIVSA-N 0 3 387.484 0.053 20 0 GCADHN CN(C)C(=O)COc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000363485123 1186611157 /nfs/dbraw/zinc/61/11/57/1186611157.db2.gz KSEFHUGAGHTZHM-SJLPKXTDSA-N 0 3 390.484 0.816 20 0 GCADHN CN(C)C(=O)COc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000363485122 1186611465 /nfs/dbraw/zinc/61/14/65/1186611465.db2.gz KSEFHUGAGHTZHM-FUHWJXTLSA-N 0 3 390.484 0.816 20 0 GCADHN CC1CCN(CCn2c(-c3cnn(C)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001708143311 1186615976 /nfs/dbraw/zinc/61/59/76/1186615976.db2.gz OPTRGRJJFUTWMC-UHFFFAOYSA-N 0 3 391.545 0.979 20 0 GCADHN N[C@H]1C[C@H]2CN(CC(=O)NCc3ccccc3OC3CCCC3)CCN2C1=O ZINC000563442768 1186618353 /nfs/dbraw/zinc/61/83/53/1186618353.db2.gz UABDIVGLTRWBSE-WMZOPIPTSA-N 0 3 386.496 0.868 20 0 GCADHN C[C@@H]1CSC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000560485660 1186618418 /nfs/dbraw/zinc/61/84/18/1186618418.db2.gz ITDYTKDFVICADO-CZUORRHYSA-N 0 3 399.538 0.987 20 0 GCADHN COc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1=O ZINC000582719901 1186623956 /nfs/dbraw/zinc/62/39/56/1186623956.db2.gz HLPVMYATMWSWAQ-GOEBONIOSA-N 0 3 398.467 0.962 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)c1ccccc1 ZINC000277843390 1186632761 /nfs/dbraw/zinc/63/27/61/1186632761.db2.gz SHQYANANJJVHCF-SLFFLAALSA-N 0 3 385.512 0.847 20 0 GCADHN CC(C)[C@H](C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)N(C)C ZINC000069791077 1186637786 /nfs/dbraw/zinc/63/77/86/1186637786.db2.gz IYVWIXOPKIHQIK-MRXNPFEDSA-N 0 3 383.518 0.688 20 0 GCADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000472257172 1186662672 /nfs/dbraw/zinc/66/26/72/1186662672.db2.gz MADXZRFNULYEBJ-ZWOKBUDYSA-N 0 3 379.501 0.913 20 0 GCADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000472257170 1186663956 /nfs/dbraw/zinc/66/39/56/1186663956.db2.gz MADXZRFNULYEBJ-QKLQHJQFSA-N 0 3 379.501 0.913 20 0 GCADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000472257167 1186664238 /nfs/dbraw/zinc/66/42/38/1186664238.db2.gz MADXZRFNULYEBJ-HLIPFELVSA-N 0 3 379.501 0.913 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@](N)(c3cccc(Cl)c3)C(F)(F)F)CCN2C1=O ZINC000582797438 1186680101 /nfs/dbraw/zinc/68/01/01/1186680101.db2.gz RSMNHSOGHXPINQ-LALPHHSUSA-N 0 3 390.793 0.827 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCc3cn4ccccc4n3)C2)CC1 ZINC000582798952 1186681577 /nfs/dbraw/zinc/68/15/77/1186681577.db2.gz DXGHXGDAKCAZSN-SFHVURJKSA-N 0 3 398.511 0.577 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000582803038 1186684698 /nfs/dbraw/zinc/68/46/98/1186684698.db2.gz LZINFOUNCDXJSB-UHFFFAOYSA-N 0 3 397.497 0.139 20 0 GCADHN CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000657649689 1186688118 /nfs/dbraw/zinc/68/81/18/1186688118.db2.gz AABPCIFBTSBBEO-UHFFFAOYSA-N 0 3 382.486 0.621 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cncc(OCC(F)(F)F)n1 ZINC000657650741 1186692361 /nfs/dbraw/zinc/69/23/61/1186692361.db2.gz UDHZJDZCYPAVKZ-SNVBAGLBSA-N 0 3 375.351 0.957 20 0 GCADHN Cc1cn2c(ncc(C(=O)NCC(=O)NCCN3CCCCC3)c2=O)s1 ZINC000909321813 1186701978 /nfs/dbraw/zinc/70/19/78/1186701978.db2.gz SOECQLGYXRVAET-UHFFFAOYSA-N 0 3 377.470 0.396 20 0 GCADHN O=C(Nc1ccnc(OCCO)c1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000657668135 1186708878 /nfs/dbraw/zinc/70/88/78/1186708878.db2.gz XFQUBHBYEZHFGE-UHFFFAOYSA-N 0 3 376.457 0.868 20 0 GCADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)NC(=O)NCC(C)C)CC1 ZINC000582868453 1186717276 /nfs/dbraw/zinc/71/72/76/1186717276.db2.gz CDJZIHXUBBFCDA-CQSZACIVSA-N 0 3 390.550 0.850 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCN1CCN(CC)CC1)C2=O ZINC000042592251 1186719823 /nfs/dbraw/zinc/71/98/23/1186719823.db2.gz OUQZXIJFSOEYKZ-UHFFFAOYSA-N 0 3 393.532 0.631 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000582932674 1186733552 /nfs/dbraw/zinc/73/35/52/1186733552.db2.gz NIWAMDDWPNODEJ-SFHVURJKSA-N 0 3 394.560 0.936 20 0 GCADHN Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582976634 1186740313 /nfs/dbraw/zinc/74/03/13/1186740313.db2.gz RWFKCGXYAHAVMV-CABCVRRESA-N 0 3 396.451 0.104 20 0 GCADHN Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582976638 1186740547 /nfs/dbraw/zinc/74/05/47/1186740547.db2.gz RWFKCGXYAHAVMV-LSDHHAIUSA-N 0 3 396.451 0.104 20 0 GCADHN CCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000657715897 1186749525 /nfs/dbraw/zinc/74/95/25/1186749525.db2.gz OCADFVDMJOCWNE-DLBZAZTESA-N 0 3 385.468 0.841 20 0 GCADHN Cc1cccc2c(=O)n(CC(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cnc12 ZINC000152626877 1186752825 /nfs/dbraw/zinc/75/28/25/1186752825.db2.gz VMEXYCZAYXHWIY-KRWDZBQOSA-N 0 3 397.479 0.470 20 0 GCADHN CCN1C[C@@H](C)N(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000685074642 1186763849 /nfs/dbraw/zinc/76/38/49/1186763849.db2.gz SZPGTESJCIIYLZ-FGTMMUONSA-N 0 3 380.533 0.641 20 0 GCADHN CN(C)[C@H]1CN(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C[C@@H]1O ZINC000583092768 1186769118 /nfs/dbraw/zinc/76/91/18/1186769118.db2.gz ZFNQPXWPPCCLSH-ROUUACIJSA-N 0 3 380.533 0.234 20 0 GCADHN Cc1nccn1-c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1F ZINC000583095960 1186769310 /nfs/dbraw/zinc/76/93/10/1186769310.db2.gz XAKMZKQUCHJCAE-GOEBONIOSA-N 0 3 386.431 0.773 20 0 GCADHN COC[C@H](NC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)c1ccco1 ZINC000548788448 1186775884 /nfs/dbraw/zinc/77/58/84/1186775884.db2.gz DTQWUJSBOJZFMS-IRXDYDNUSA-N 0 3 392.500 0.710 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(C)CCN(C)CC1 ZINC000888983993 1186782344 /nfs/dbraw/zinc/78/23/44/1186782344.db2.gz YAYJXOQMCMFTPW-QGZVFWFLSA-N 0 3 378.521 0.189 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000278102739 1186782485 /nfs/dbraw/zinc/78/24/85/1186782485.db2.gz OTYVLWSIHOOGFL-CYBMUJFWSA-N 0 3 381.864 0.732 20 0 GCADHN COc1cccc(CNC(=O)[C@@H](C)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000162599066 1186785054 /nfs/dbraw/zinc/78/50/54/1186785054.db2.gz VLUWVXDTHADYQX-VQIMIIECSA-N 0 3 388.512 0.938 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1CCS(=O)(=O)CC1 ZINC000535947181 1186785200 /nfs/dbraw/zinc/78/52/00/1186785200.db2.gz BEMXZULCHASNBM-HNNXBMFYSA-N 0 3 388.534 0.053 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583171264 1186787676 /nfs/dbraw/zinc/78/76/76/1186787676.db2.gz IIXKTLLRXNQPGF-HUUCEWRRSA-N 0 3 379.505 0.286 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(C(C)(C)C)C3)CC2)n[nH]1 ZINC000611751829 1186788346 /nfs/dbraw/zinc/78/83/46/1186788346.db2.gz RVMCNTULKPNFRQ-OAHLLOKOSA-N 0 3 376.505 0.792 20 0 GCADHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569622521 1186791388 /nfs/dbraw/zinc/79/13/88/1186791388.db2.gz JVEPQXRFHIORJH-UONOGXRCSA-N 0 3 389.456 0.563 20 0 GCADHN COc1ccccc1CNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000162661467 1186793190 /nfs/dbraw/zinc/79/31/90/1186793190.db2.gz YJXDRBQJHZOBFR-WMZOPIPTSA-N 0 3 388.512 0.938 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Oc4ccncc4)cc3)CCN2C1=O ZINC000583214705 1186798594 /nfs/dbraw/zinc/79/85/94/1186798594.db2.gz JEDTYIFKVHCZIJ-YOEHRIQHSA-N 0 3 395.419 0.583 20 0 GCADHN NC(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OCC(F)F)c1 ZINC000583214934 1186799414 /nfs/dbraw/zinc/79/94/14/1186799414.db2.gz KKCKZHKCNSUHMB-MNOVXSKESA-N 0 3 397.382 0.205 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000583252547 1186809029 /nfs/dbraw/zinc/80/90/29/1186809029.db2.gz PPLFZJLUKNQMBN-IRXDYDNUSA-N 0 3 379.509 0.440 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000583252548 1186809119 /nfs/dbraw/zinc/80/91/19/1186809119.db2.gz PPLFZJLUKNQMBN-SJORKVTESA-N 0 3 379.509 0.440 20 0 GCADHN C[C@H](NC(=O)C(=O)N(CCN1CCOCC1)CC1CC1)C1=CCN(C)CC1 ZINC000611758550 1186809352 /nfs/dbraw/zinc/80/93/52/1186809352.db2.gz KRNFMOMFYFQMKC-INIZCTEOSA-N 0 3 378.517 0.324 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cc(C(=O)OC)ccn2)CC1 ZINC000278167617 1186809951 /nfs/dbraw/zinc/80/99/51/1186809951.db2.gz YQURRWJKWRKGIV-UHFFFAOYSA-N 0 3 377.445 0.886 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](Oc4ccccc4)C3)C2)nn1 ZINC000583263751 1186810338 /nfs/dbraw/zinc/81/03/38/1186810338.db2.gz PYCRGPIZTYBBCO-AEFFLSMTSA-N 0 3 398.467 0.580 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000148599282 1186819944 /nfs/dbraw/zinc/81/99/44/1186819944.db2.gz IMLCKOQMVQMEBQ-UHFFFAOYSA-N 0 3 392.456 0.819 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC1 ZINC000148589254 1186820620 /nfs/dbraw/zinc/82/06/20/1186820620.db2.gz ABIUNIAKUKQHQH-UHFFFAOYSA-N 0 3 380.420 0.950 20 0 GCADHN CCOc1cc(Cl)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583333865 1186828940 /nfs/dbraw/zinc/82/89/40/1186828940.db2.gz IGFTXVBLPUOPNY-KGLIPLIRSA-N 0 3 394.859 0.125 20 0 GCADHN C([C@H]1CCOC1)n1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000583335402 1186829841 /nfs/dbraw/zinc/82/98/41/1186829841.db2.gz OGBDXSUXVAMNRH-KURKYZTESA-N 0 3 391.516 0.977 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cnn(C)c3C)[C@H]2C1 ZINC000583340616 1186830927 /nfs/dbraw/zinc/83/09/27/1186830927.db2.gz JJJOUSLVGOOBDW-XZKMEQPCSA-N 0 3 389.500 0.570 20 0 GCADHN CNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)c(C)c1 ZINC000148603023 1186834590 /nfs/dbraw/zinc/83/45/90/1186834590.db2.gz MEBWUHYGHXBEPV-UHFFFAOYSA-N 0 3 376.457 0.520 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262287874 1186846160 /nfs/dbraw/zinc/84/61/60/1186846160.db2.gz ZUZAPBCFAXYYQZ-INIZCTEOSA-N 0 3 391.491 0.592 20 0 GCADHN CCn1c(N)c(C(=O)CN2CCCN(Cc3ccccc3)C[C@@H]2C)c(=O)[nH]c1=O ZINC000156241638 1186846996 /nfs/dbraw/zinc/84/69/96/1186846996.db2.gz ZXTCRAAGSNLDEH-HNNXBMFYSA-N 0 3 399.495 0.918 20 0 GCADHN Cc1ccc(CCC(=O)NCC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000583440321 1186855824 /nfs/dbraw/zinc/85/58/24/1186855824.db2.gz ZLSZNVPCCZEXIL-SFHVURJKSA-N 0 3 384.484 0.958 20 0 GCADHN COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000278262741 1186859050 /nfs/dbraw/zinc/85/90/50/1186859050.db2.gz WSLZWDURJMLFEY-WMZOPIPTSA-N 0 3 393.484 0.559 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001211582538 1186861733 /nfs/dbraw/zinc/86/17/33/1186861733.db2.gz JBUMOXIWOVPVCV-JTQLQIEISA-N 0 3 383.348 0.754 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000156675652 1186870153 /nfs/dbraw/zinc/87/01/53/1186870153.db2.gz NSGOJHJZLUOVPU-YOEHRIQHSA-N 0 3 391.497 0.335 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000375740444 1186891419 /nfs/dbraw/zinc/89/14/19/1186891419.db2.gz BSBNTDKSKYGHAC-HRCADAONSA-N 0 3 386.518 0.059 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685166298 1186896869 /nfs/dbraw/zinc/89/68/69/1186896869.db2.gz LEDJDGDWEIPDNW-SQWLQELKSA-N 0 3 390.488 0.021 20 0 GCADHN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000278350328 1186903880 /nfs/dbraw/zinc/90/38/80/1186903880.db2.gz XCCNUOOGDVXDRC-OAHLLOKOSA-N 0 3 397.545 0.468 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000583642608 1186906467 /nfs/dbraw/zinc/90/64/67/1186906467.db2.gz LZEKQFFQTJJIFY-XWIAVFTESA-N 0 3 384.480 0.513 20 0 GCADHN COc1cc(OC)c(OC)cc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583642660 1186906594 /nfs/dbraw/zinc/90/65/94/1186906594.db2.gz PRRUCXFKGOVFDC-OLZOCXBDSA-N 0 3 378.429 0.166 20 0 GCADHN CN(C)[C@H]1CN(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C[C@@H]1O ZINC000583638572 1186907483 /nfs/dbraw/zinc/90/74/83/1186907483.db2.gz AGYFCBHGHXLPHM-ROUUACIJSA-N 0 3 380.533 0.281 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000278367419 1186915214 /nfs/dbraw/zinc/91/52/14/1186915214.db2.gz FZCCOJOOTZRWTC-CQSZACIVSA-N 0 3 394.497 0.196 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000583685574 1186918668 /nfs/dbraw/zinc/91/86/68/1186918668.db2.gz JMHHMRISRRUGED-GFCCVEGCSA-N 0 3 380.411 0.455 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)CCN2C1=O ZINC000583704742 1186923667 /nfs/dbraw/zinc/92/36/67/1186923667.db2.gz PHSJXQZCACWEGF-OALUTQOASA-N 0 3 398.507 0.628 20 0 GCADHN CN(CCCOc1ccc(F)cc1)C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583704949 1186923825 /nfs/dbraw/zinc/92/38/25/1186923825.db2.gz WZTYRFVOBSVNDZ-DOTOQJQBSA-N 0 3 378.448 0.297 20 0 GCADHN COCc1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)ccc1OC ZINC000635154903 1186924200 /nfs/dbraw/zinc/92/42/00/1186924200.db2.gz BREMCMZADDXXBG-UHFFFAOYSA-N 0 3 392.500 0.922 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000536109982 1186924263 /nfs/dbraw/zinc/92/42/63/1186924263.db2.gz FCFKNHQJPHFDSU-UHFFFAOYSA-N 0 3 378.429 0.758 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCc1ccn(C)n1 ZINC000685194327 1186931110 /nfs/dbraw/zinc/93/11/10/1186931110.db2.gz YVUIMOILZSRBIB-UHFFFAOYSA-N 0 3 393.438 0.947 20 0 GCADHN C[C@H](OCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1 ZINC000583764262 1186934616 /nfs/dbraw/zinc/93/46/16/1186934616.db2.gz CSPFEAUKLFPDSB-XIRDDKMYSA-N 0 3 388.468 0.041 20 0 GCADHN CS(=O)(=O)c1ccc([C@H](O)CN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000728576176 1186934689 /nfs/dbraw/zinc/93/46/89/1186934689.db2.gz OAHUIVNJWCWHKG-GOSISDBHSA-N 0 3 395.525 0.364 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCN2C1=O ZINC000583764943 1186935226 /nfs/dbraw/zinc/93/52/26/1186935226.db2.gz ZSUOBQKLGCQJED-ZQDZILKHSA-N 0 3 376.844 0.083 20 0 GCADHN C[C@H](CNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)CN1CCN(C)CC1 ZINC000427837737 1186938421 /nfs/dbraw/zinc/93/84/21/1186938421.db2.gz QRIVIRVGOXDLFB-IIBYNOLFSA-N 0 3 388.512 0.393 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2C[C@H](CO)[C@H](O)C2)CC1 ZINC000583797115 1186940987 /nfs/dbraw/zinc/94/09/87/1186940987.db2.gz GPDLNHBLLDDGOL-RTBURBONSA-N 0 3 376.501 0.319 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000583798223 1186941399 /nfs/dbraw/zinc/94/13/99/1186941399.db2.gz IRZLPQFZMNPXQY-UHFFFAOYSA-N 0 3 382.411 0.156 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000685214762 1186948813 /nfs/dbraw/zinc/94/88/13/1186948813.db2.gz MGFYTROBIIHUQM-RCCFBDPRSA-N 0 3 386.496 0.750 20 0 GCADHN CCn1cccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1=O ZINC000583849957 1186951617 /nfs/dbraw/zinc/95/16/17/1186951617.db2.gz LJXJWIWHUGQQMD-MRXNPFEDSA-N 0 3 375.473 0.316 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000583869110 1186954339 /nfs/dbraw/zinc/95/43/39/1186954339.db2.gz XLQGRGLKNKAELG-GJZGRUSLSA-N 0 3 379.505 0.334 20 0 GCADHN CC(=O)N1CCO[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000935126352 1186956278 /nfs/dbraw/zinc/95/62/78/1186956278.db2.gz QHNUCRZFKSHGOA-FHWLQOOXSA-N 0 3 375.469 0.233 20 0 GCADHN CCN1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000583886729 1186956778 /nfs/dbraw/zinc/95/67/78/1186956778.db2.gz ZGPFAMQTFAPYDA-INIZCTEOSA-N 0 3 376.505 0.463 20 0 GCADHN COC(=O)c1c(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)sc2c1CCCC2 ZINC000583910169 1186960292 /nfs/dbraw/zinc/96/02/92/1186960292.db2.gz YRVJSXQRDNSUCE-STQMWFEESA-N 0 3 381.498 0.959 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cccnc1N1CCOCC1 ZINC000536173579 1186970290 /nfs/dbraw/zinc/97/02/90/1186970290.db2.gz GPWNRRAAWTZGJH-UHFFFAOYSA-N 0 3 391.516 0.038 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccnc(N2CCCCC2)n1 ZINC000536176102 1186970570 /nfs/dbraw/zinc/97/05/70/1186970570.db2.gz CIYSHSMESKZJIA-UHFFFAOYSA-N 0 3 390.532 0.587 20 0 GCADHN COc1ccc2c(c1)C[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)CO2 ZINC000536178248 1186973213 /nfs/dbraw/zinc/97/32/13/1186973213.db2.gz AIQUHVUPTIBRDN-GOSISDBHSA-N 0 3 391.512 0.753 20 0 GCADHN COc1ccc([C@H](CNC(=O)CN2C[C@@H](O)[C@H](O)C2)N2CCCCC2)cc1 ZINC000278543344 1186973257 /nfs/dbraw/zinc/97/32/57/1186973257.db2.gz AIWROIRHBJBJCL-IPMKNSEASA-N 0 3 377.485 0.376 20 0 GCADHN O=C(Cc1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458748838 1186973635 /nfs/dbraw/zinc/97/36/35/1186973635.db2.gz CNQKAKSYFOSTPM-RBUKOAKNSA-N 0 3 388.512 0.976 20 0 GCADHN CSc1cccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2=O)c1 ZINC000584005364 1186978296 /nfs/dbraw/zinc/97/82/96/1186978296.db2.gz QXXMYHCJDAPMDI-XPKDYRNWSA-N 0 3 388.493 0.532 20 0 GCADHN O=C(Cc1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000458767359 1186981155 /nfs/dbraw/zinc/98/11/55/1186981155.db2.gz QFMNRQWKXWQNIQ-RBUKOAKNSA-N 0 3 388.512 0.976 20 0 GCADHN O=C(Cc1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458767357 1186981287 /nfs/dbraw/zinc/98/12/87/1186981287.db2.gz QFMNRQWKXWQNIQ-OALUTQOASA-N 0 3 388.512 0.976 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000584018824 1186982509 /nfs/dbraw/zinc/98/25/09/1186982509.db2.gz ZNCVOADUFXTUCZ-HOTGVXAUSA-N 0 3 378.473 0.509 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000458776756 1186985502 /nfs/dbraw/zinc/98/55/02/1186985502.db2.gz NZJOBXRPUHARFI-HUUCEWRRSA-N 0 3 388.534 0.089 20 0 GCADHN O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000584038694 1186986058 /nfs/dbraw/zinc/98/60/58/1186986058.db2.gz XZSLPVJEYHLRAO-SJORKVTESA-N 0 3 381.521 0.813 20 0 GCADHN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000278627638 1186998474 /nfs/dbraw/zinc/99/84/74/1186998474.db2.gz GPCGQOQQNYILPK-YOEHRIQHSA-N 0 3 383.514 0.539 20 0 GCADHN CC(C)Cn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000611806305 1187001366 /nfs/dbraw/zinc/00/13/66/1187001366.db2.gz HIYGHYAQVUSKPY-KURKYZTESA-N 0 3 390.532 0.991 20 0 GCADHN CC(C)Cn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC000611806306 1187001572 /nfs/dbraw/zinc/00/15/72/1187001572.db2.gz HIYGHYAQVUSKPY-SQNIBIBYSA-N 0 3 390.532 0.991 20 0 GCADHN COC(=O)C[C@H]1C(=O)NCCN1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278653879 1187008272 /nfs/dbraw/zinc/00/82/72/1187008272.db2.gz PYQOLUIFINJDMN-MSOLQXFVSA-N 0 3 375.469 0.641 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2ccnn2CCN(C)C)c1 ZINC000584174898 1187009858 /nfs/dbraw/zinc/00/98/58/1187009858.db2.gz ZNKQUHSOKZHKET-UHFFFAOYSA-N 0 3 379.486 0.979 20 0 GCADHN Cn1c2ncn(C[C@@H]3CN(Cc4ccccc4)CCCO3)c2c(=O)n(C)c1=O ZINC000278670077 1187013179 /nfs/dbraw/zinc/01/31/79/1187013179.db2.gz XSMCCIUUVFDUIS-INIZCTEOSA-N 0 3 383.452 0.725 20 0 GCADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)CN1C1CC1 ZINC000685277349 1187019989 /nfs/dbraw/zinc/01/99/89/1187019989.db2.gz GPSLNLZKSYFYRJ-XHSDSOJGSA-N 0 3 378.517 0.440 20 0 GCADHN C[C@H](O)CN(C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1)[C@@H](C)CO ZINC000584283677 1187026137 /nfs/dbraw/zinc/02/61/37/1187026137.db2.gz UZHSAWXSUIVAMK-IRXDYDNUSA-N 0 3 383.533 0.739 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCN(C(=O)Nc4ccccc4)C3)CCN2C1=O ZINC000584302697 1187028918 /nfs/dbraw/zinc/02/89/18/1187028918.db2.gz LLDSAVMGNGAJCP-HRCADAONSA-N 0 3 386.456 0.246 20 0 GCADHN CCc1nc(CCNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)cs1 ZINC000668734336 1187050333 /nfs/dbraw/zinc/05/03/33/1187050333.db2.gz CDZKNMHFNIENBO-HNNXBMFYSA-N 0 3 380.514 0.734 20 0 GCADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000584422192 1187056726 /nfs/dbraw/zinc/05/67/26/1187056726.db2.gz PNCYRJFLUPMQCE-FHLIZLRMSA-N 0 3 389.475 0.107 20 0 GCADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000584422195 1187056790 /nfs/dbraw/zinc/05/67/90/1187056790.db2.gz PNCYRJFLUPMQCE-ZTFGCOKTSA-N 0 3 389.475 0.107 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)CCN2C1=O ZINC000584422416 1187057068 /nfs/dbraw/zinc/05/70/68/1187057068.db2.gz WLDGLKRVTFLRFD-JSGCOSHPSA-N 0 3 396.900 0.319 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000685303344 1187058753 /nfs/dbraw/zinc/05/87/53/1187058753.db2.gz AKVCNUUDYUNANF-RHSMWYFYSA-N 0 3 376.526 0.991 20 0 GCADHN CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@H]32)CCC1 ZINC000972640452 1187070412 /nfs/dbraw/zinc/07/04/12/1187070412.db2.gz ODPLQKXWWRJEMG-DISONHOPSA-N 0 3 391.512 0.582 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2cccc3c2COC3=O)CC1 ZINC000728590917 1187075280 /nfs/dbraw/zinc/07/52/80/1187075280.db2.gz LAVJPJVXOPRXBU-UHFFFAOYSA-N 0 3 393.465 0.286 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H]1CN(C)CCO1 ZINC000685344442 1187110117 /nfs/dbraw/zinc/11/01/17/1187110117.db2.gz XACHSGBHFRVLNF-CRAIPNDOSA-N 0 3 394.491 0.551 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)N[C@H](C)C3=CCN(C)CC3)CC2)n1 ZINC000685444082 1187129139 /nfs/dbraw/zinc/12/91/39/1187129139.db2.gz XBSJNORDRYUGBY-MRXNPFEDSA-N 0 3 386.500 0.509 20 0 GCADHN O=C(NC[C@@H]1CCCCN1C1CC1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000685501422 1187137981 /nfs/dbraw/zinc/13/79/81/1187137981.db2.gz LYRYUIXQZGHKIR-MJGOQNOKSA-N 0 3 392.544 0.690 20 0 GCADHN O=C(NCC1(N2CCOCC2)CC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000685511712 1187138520 /nfs/dbraw/zinc/13/85/20/1187138520.db2.gz QEXXHXDZABUVMW-QGZVFWFLSA-N 0 3 378.517 0.444 20 0 GCADHN Cn1ccnc1[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCO1 ZINC000611937280 1187145273 /nfs/dbraw/zinc/14/52/73/1187145273.db2.gz FLGQATRAKAEPFB-KKUMJFAQSA-N 0 3 377.489 0.745 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000144369387 1187177785 /nfs/dbraw/zinc/17/77/85/1187177785.db2.gz KYYUUXGVJZQVHE-GDBMZVCRSA-N 0 3 383.489 0.261 20 0 GCADHN CN1CCN(c2ncc(CN[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)cn2)CC1 ZINC000375782879 1187189912 /nfs/dbraw/zinc/18/99/12/1187189912.db2.gz AKRMJMHBIMUUIJ-MRXNPFEDSA-N 0 3 394.545 0.275 20 0 GCADHN CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001023964593 1187198199 /nfs/dbraw/zinc/19/81/99/1187198199.db2.gz JDQDKVKVXCNYNT-FAJBIJEISA-N 0 3 381.517 0.610 20 0 GCADHN O=C(CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)N1CCCCCC1 ZINC000668747445 1187217557 /nfs/dbraw/zinc/21/75/57/1187217557.db2.gz GHFFTKKCPYRBCP-KRWDZBQOSA-N 0 3 394.516 0.265 20 0 GCADHN Cc1cnc(S(C)(=O)=O)nc1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000612057851 1187244105 /nfs/dbraw/zinc/24/41/05/1187244105.db2.gz SHQCVJBDHWZQFV-KBPBESRZSA-N 0 3 384.502 0.808 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000612043410 1187244620 /nfs/dbraw/zinc/24/46/20/1187244620.db2.gz FXXWLKKXQISGPQ-BRWVUGGUSA-N 0 3 376.501 0.590 20 0 GCADHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@H]2CCCc3n[nH]nc32)CC1 ZINC000612053873 1187246073 /nfs/dbraw/zinc/24/60/73/1187246073.db2.gz LAXKEDPWIHZIAM-AWEZNQCLSA-N 0 3 376.505 0.968 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000658262185 1187262715 /nfs/dbraw/zinc/26/27/15/1187262715.db2.gz ATVPJFVZDLNLNP-OAHLLOKOSA-N 0 3 392.504 0.143 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C1 ZINC000658261243 1187262836 /nfs/dbraw/zinc/26/28/36/1187262836.db2.gz ISBYXZOCEYPQLE-CQSZACIVSA-N 0 3 376.457 0.868 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)NC)cc2)CC1 ZINC000785207798 1187263963 /nfs/dbraw/zinc/26/39/63/1187263963.db2.gz FAQATQSKUNQRCO-OAHLLOKOSA-N 0 3 389.500 0.608 20 0 GCADHN CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000647385184 1187264636 /nfs/dbraw/zinc/26/46/36/1187264636.db2.gz JELBOLDGVTUTNQ-JKSUJKDBSA-N 0 3 376.505 0.935 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)C[S@](C)=O)cc2)CC1 ZINC000785206714 1187266055 /nfs/dbraw/zinc/26/60/55/1187266055.db2.gz SIPARNFKNNQMDI-RXAIFQJESA-N 0 3 394.541 0.992 20 0 GCADHN CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000647388244 1187266522 /nfs/dbraw/zinc/26/65/22/1187266522.db2.gz HZDXAGKDHXVEPL-ARFHVFGLSA-N 0 3 376.505 0.933 20 0 GCADHN CC1(C)CO[C@@H](CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCC(=O)NC2=O)C3)C1 ZINC001098165641 1187267328 /nfs/dbraw/zinc/26/73/28/1187267328.db2.gz LKHQVCIBCXVDQZ-TUVASFSCSA-N 0 3 378.473 0.465 20 0 GCADHN CN(C)S(=O)(=O)NCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000612135746 1187274961 /nfs/dbraw/zinc/27/49/61/1187274961.db2.gz CUWAHCNAXPNCED-UHFFFAOYSA-N 0 3 384.502 0.225 20 0 GCADHN CN(C)c1ncncc1NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000658481922 1187316045 /nfs/dbraw/zinc/31/60/45/1187316045.db2.gz PFMCNQNVBBGWHG-UHFFFAOYSA-N 0 3 397.483 0.905 20 0 GCADHN O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658507621 1187322943 /nfs/dbraw/zinc/32/29/43/1187322943.db2.gz WGHBWPBKBNMFDM-QZTJIDSGSA-N 0 3 390.528 0.934 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000658528467 1187326130 /nfs/dbraw/zinc/32/61/30/1187326130.db2.gz KBZIOVQYZQGSCC-QGZVFWFLSA-N 0 3 381.448 0.590 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658522153 1187328623 /nfs/dbraw/zinc/32/86/23/1187328623.db2.gz MITGMAVEGJQNSG-IAGOWNOFSA-N 0 3 394.516 0.027 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)CC1 ZINC000658523719 1187329917 /nfs/dbraw/zinc/32/99/17/1187329917.db2.gz ZIGQPPHQNMIYOG-MRXNPFEDSA-N 0 3 378.517 0.790 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000658542588 1187335093 /nfs/dbraw/zinc/33/50/93/1187335093.db2.gz WJBLYLDNXABBMC-RBUKOAKNSA-N 0 3 391.512 0.648 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2cc(C)ccc2C)C1 ZINC000685716487 1187344069 /nfs/dbraw/zinc/34/40/69/1187344069.db2.gz RKTQCPXNEKWIEH-INIZCTEOSA-N 0 3 383.514 0.809 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000149091951 1187354115 /nfs/dbraw/zinc/35/41/15/1187354115.db2.gz ILDGPPGSOSSGNX-UONOGXRCSA-N 0 3 396.513 0.770 20 0 GCADHN COc1ccc(N2C[C@@H](NC(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2=O)cc1 ZINC000612178644 1187360029 /nfs/dbraw/zinc/36/00/29/1187360029.db2.gz UDSJXBHIHDDSAJ-GOEBONIOSA-N 0 3 388.468 0.469 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000612179069 1187361804 /nfs/dbraw/zinc/36/18/04/1187361804.db2.gz JTSUYDIZSXYKID-GDBMZVCRSA-N 0 3 388.468 0.517 20 0 GCADHN O=C(N[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001024378955 1187376773 /nfs/dbraw/zinc/37/67/73/1187376773.db2.gz CHJDXRKHGRYVNA-MUIFIZLQSA-N 0 3 380.408 0.163 20 0 GCADHN O=C(N[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001024378955 1187376778 /nfs/dbraw/zinc/37/67/78/1187376778.db2.gz CHJDXRKHGRYVNA-MUIFIZLQSA-N 0 3 380.408 0.163 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@H]2COCCO2)c1 ZINC000658676601 1187408086 /nfs/dbraw/zinc/40/80/86/1187408086.db2.gz SUYXCLAZCDDIBP-SFHVURJKSA-N 0 3 393.484 0.459 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C3CCC3)C2)CC1 ZINC000658676734 1187408642 /nfs/dbraw/zinc/40/86/42/1187408642.db2.gz JRWQPFCEJFNVJA-QZTJIDSGSA-N 0 3 390.528 0.790 20 0 GCADHN 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1187518386 /nfs/dbraw/zinc/51/83/86/1187518386.db2.gz HVWFSZUIHKSSPY-CRAIPNDOSA-N 0 3 387.484 0.710 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1 ZINC000612549493 1187519856 /nfs/dbraw/zinc/51/98/56/1187519856.db2.gz ZOMJFKBGNDOKIB-JKSUJKDBSA-N 0 3 380.533 0.988 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1 ZINC000612549492 1187520080 /nfs/dbraw/zinc/52/00/80/1187520080.db2.gz ZOMJFKBGNDOKIB-HZPDHXFCSA-N 0 3 380.533 0.988 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3nccc(C(C)C)n3)CC2)C1 ZINC000612545084 1187522022 /nfs/dbraw/zinc/52/20/22/1187522022.db2.gz IPRUFTHRWPHWMQ-MRXNPFEDSA-N 0 3 388.516 0.849 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000685785099 1187529399 /nfs/dbraw/zinc/52/93/99/1187529399.db2.gz GYWVQAFWOZRIGO-QGZVFWFLSA-N 0 3 395.525 0.951 20 0 GCADHN C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@@H]1CCO ZINC000668778608 1187529570 /nfs/dbraw/zinc/52/95/70/1187529570.db2.gz WNNMXJIIJKOEML-BRWVUGGUSA-N 0 3 396.532 0.055 20 0 GCADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413820410 1187530326 /nfs/dbraw/zinc/53/03/26/1187530326.db2.gz QPGOPGPWNQUZRM-WBVHZDCISA-N 0 3 387.488 0.238 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccccc2S(N)(=O)=O)c1 ZINC000511356826 1187531578 /nfs/dbraw/zinc/53/15/78/1187531578.db2.gz CXWRLAOGDJWVFV-UHFFFAOYSA-N 0 3 390.465 0.651 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000612596958 1187536530 /nfs/dbraw/zinc/53/65/30/1187536530.db2.gz YIZFMCWOSJXNIA-MOPGFXCFSA-N 0 3 387.480 0.956 20 0 GCADHN CC1(C)CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@]2(CCOC2)O1 ZINC000612595814 1187536620 /nfs/dbraw/zinc/53/66/20/1187536620.db2.gz PTHIUBDXCYQHAH-UZLBHIALSA-N 0 3 395.500 0.152 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC2(CCCC2)O1 ZINC000612592402 1187537770 /nfs/dbraw/zinc/53/77/70/1187537770.db2.gz QDHISRWQKNMNRJ-RDJZCZTQSA-N 0 3 379.501 0.916 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N(CCO)CCc1ccccc1 ZINC000612598264 1187538025 /nfs/dbraw/zinc/53/80/25/1187538025.db2.gz ATSHQZILGGLYAJ-LJQANCHMSA-N 0 3 389.496 0.420 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000612598142 1187538662 /nfs/dbraw/zinc/53/86/62/1187538662.db2.gz SDTJIWFXRATSCF-WMZOPIPTSA-N 0 3 379.501 0.631 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1)N1CCC[C@@H](C)C1 ZINC000612614344 1187541477 /nfs/dbraw/zinc/54/14/77/1187541477.db2.gz OOJWFTBCOJDRMQ-BZUAXINKSA-N 0 3 380.533 0.986 20 0 GCADHN CCN1CCN(CC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)C(=O)C1=O ZINC000570170540 1187542906 /nfs/dbraw/zinc/54/29/06/1187542906.db2.gz YNWASCGYFZCUAG-KRWDZBQOSA-N 0 3 386.496 0.658 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000570257941 1187557218 /nfs/dbraw/zinc/55/72/18/1187557218.db2.gz ZYNKOLIWBKBKIC-OAHLLOKOSA-N 0 3 389.566 0.126 20 0 GCADHN C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C1=CCN(C)CC1 ZINC000511375755 1187579251 /nfs/dbraw/zinc/57/92/51/1187579251.db2.gz CQZMTWUDCDXNBF-ZDUSSCGKSA-N 0 3 379.482 0.762 20 0 GCADHN CC(C)OC[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CCO1 ZINC000570417223 1187600103 /nfs/dbraw/zinc/60/01/03/1187600103.db2.gz VGPBOIOULYKVPE-SJORKVTESA-N 0 3 385.505 0.208 20 0 GCADHN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1S(C)(=O)=O ZINC000413976917 1187621128 /nfs/dbraw/zinc/62/11/28/1187621128.db2.gz OBSBZLHXQSUHBA-LBPRGKRZSA-N 0 3 383.470 0.447 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1CC12CC[NH2+]CC2 ZINC000612990714 1187630768 /nfs/dbraw/zinc/63/07/68/1187630768.db2.gz VTHZWPTXEAXVGY-AWEZNQCLSA-N 0 3 388.440 0.684 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000685830393 1187636775 /nfs/dbraw/zinc/63/67/75/1187636775.db2.gz NXDDIVCKDSFXET-INIZCTEOSA-N 0 3 379.505 0.398 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000431719932 1187640562 /nfs/dbraw/zinc/64/05/62/1187640562.db2.gz TUBSPKUMVPRPKG-CXAGYDPISA-N 0 3 387.484 0.764 20 0 GCADHN CCC[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)S(N)(=O)=O ZINC000613089854 1187663407 /nfs/dbraw/zinc/66/34/07/1187663407.db2.gz YSAYUBYIQBUHND-BRWVUGGUSA-N 0 3 383.514 0.443 20 0 GCADHN CN(C)C(=O)CC1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000511436717 1187677816 /nfs/dbraw/zinc/67/78/16/1187677816.db2.gz MJLOOGDUJHJPFU-KRWDZBQOSA-N 0 3 395.548 0.829 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1)N1CCCC1 ZINC001024905407 1187681437 /nfs/dbraw/zinc/68/14/37/1187681437.db2.gz WZZKAPHQRUDWKZ-NLDJYOPPSA-N 0 3 379.501 0.508 20 0 GCADHN CC[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000658876283 1187703399 /nfs/dbraw/zinc/70/33/99/1187703399.db2.gz SMLOJZWHYYUVHU-ZACQAIPSSA-N 0 3 378.517 0.789 20 0 GCADHN C[C@@H](NC(=O)CN1CCCN(C[C@H]2CCCO2)CC1)C(=O)N1CCCCC1 ZINC000613421003 1187743188 /nfs/dbraw/zinc/74/31/88/1187743188.db2.gz MNWWWCHTFNSARZ-QZTJIDSGSA-N 0 3 380.533 0.690 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)N3CCC(S(N)(=O)=O)CC3)CC2)c1 ZINC000376279527 1187744883 /nfs/dbraw/zinc/74/48/83/1187744883.db2.gz IFDCBQXTYJWXOH-UHFFFAOYSA-N 0 3 394.541 0.787 20 0 GCADHN CS(=O)(=O)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000892552865 1187757094 /nfs/dbraw/zinc/75/70/94/1187757094.db2.gz FHRHETYRTGDJOU-MSOLQXFVSA-N 0 3 395.525 0.972 20 0 GCADHN CN1CCN(S(=O)(=O)c2ccccc2CNc2ccncc2CO)CC1 ZINC000892571828 1187779126 /nfs/dbraw/zinc/77/91/26/1187779126.db2.gz CCADRAFMNOYTPE-UHFFFAOYSA-N 0 3 376.482 0.544 20 0 GCADHN CO[C@@]1(C)C[C@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000658912146 1187779191 /nfs/dbraw/zinc/77/91/91/1187779191.db2.gz YZIVNLOYXPEDLC-KDOFPFPSSA-N 0 3 376.413 0.388 20 0 GCADHN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CCN(CC3CCOCC3)CC2)O1 ZINC000332815203 1187783471 /nfs/dbraw/zinc/78/34/71/1187783471.db2.gz YTWZFMRWNPECJA-DLBZAZTESA-N 0 3 382.505 0.376 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000658930540 1187795355 /nfs/dbraw/zinc/79/53/55/1187795355.db2.gz HJPCCNQSUCXYPK-IRXDYDNUSA-N 0 3 376.501 0.544 20 0 GCADHN Cn1cc(-c2nc([C@H]3COCCN3C(=O)N[C@@H]3CCN(C4CC4)C3)no2)cn1 ZINC000332863564 1187797435 /nfs/dbraw/zinc/79/74/35/1187797435.db2.gz CRCOKFATBYUBNY-UKRRQHHQSA-N 0 3 387.444 0.790 20 0 GCADHN CC1(C)OC[C@H](CNCCS(=O)(=O)N2CCN(c3ccccn3)CC2)O1 ZINC000892594454 1187805964 /nfs/dbraw/zinc/80/59/64/1187805964.db2.gz LWUNSGYKLNLYLU-HNNXBMFYSA-N 0 3 384.502 0.275 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]2[C@H]2C[C@H](C)CC[C@@H]2O)n1 ZINC000376391533 1187809496 /nfs/dbraw/zinc/80/94/96/1187809496.db2.gz LRBPPCBUDQBPBP-WCVJEAGWSA-N 0 3 378.521 0.706 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000376398949 1187813298 /nfs/dbraw/zinc/81/32/98/1187813298.db2.gz WQLXLCKBSWYMPL-HXUWFJFHSA-N 0 3 384.484 0.618 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)Nc2nc(CN3CCOCC3)cs2)n1 ZINC000658980477 1187829755 /nfs/dbraw/zinc/82/97/55/1187829755.db2.gz IYIQPUWZEULYFB-UHFFFAOYSA-N 0 3 379.446 0.251 20 0 GCADHN CN1CCN(C(=O)c2ccccc2NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000658981172 1187829838 /nfs/dbraw/zinc/82/98/38/1187829838.db2.gz UGZHBASCKQAKOR-UHFFFAOYSA-N 0 3 399.455 0.350 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1 ZINC000376420596 1187829953 /nfs/dbraw/zinc/82/99/53/1187829953.db2.gz LMXLWOFPGVEYJB-HNNXBMFYSA-N 0 3 394.426 0.796 20 0 GCADHN CO[C@H](c1ccccc1F)[C@@H](C)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000580056841 1187830622 /nfs/dbraw/zinc/83/06/22/1187830622.db2.gz JMIYGHZVUVDGFV-DOMZBBRYSA-N 0 3 378.452 0.689 20 0 GCADHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1C[C@H](O)C1 ZINC000658983818 1187830762 /nfs/dbraw/zinc/83/07/62/1187830762.db2.gz DUAWGZFWGIIWBB-ULQDDVLXSA-N 0 3 383.452 0.908 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)CC2)C[C@@H](C)O1 ZINC000658987288 1187831231 /nfs/dbraw/zinc/83/12/31/1187831231.db2.gz VVCVPELKYSDRRK-FDMITFGQSA-N 0 3 393.528 0.564 20 0 GCADHN COCCS(=O)(=O)c1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000658994986 1187834580 /nfs/dbraw/zinc/83/45/80/1187834580.db2.gz YSBCHPSTGVLWJU-UHFFFAOYSA-N 0 3 395.441 0.383 20 0 GCADHN CN(C)S(=O)(=O)c1cc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccc1F ZINC000659013567 1187841972 /nfs/dbraw/zinc/84/19/72/1187841972.db2.gz HKIJXKJOMUQNFJ-UHFFFAOYSA-N 0 3 398.420 0.352 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)CC1 ZINC000659023977 1187845472 /nfs/dbraw/zinc/84/54/72/1187845472.db2.gz PPNVHHNKZZQTEZ-IBGZPJMESA-N 0 3 377.489 0.437 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000659073664 1187864507 /nfs/dbraw/zinc/86/45/07/1187864507.db2.gz DEUGCRRXTRZSJK-JKSUJKDBSA-N 0 3 377.489 0.685 20 0 GCADHN O=C([C@@H]1CCCS1(=O)=O)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001143475216 1187866719 /nfs/dbraw/zinc/86/67/19/1187866719.db2.gz WNBJBMLEAIYCMJ-HNNXBMFYSA-N 0 3 390.469 0.277 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2=O)n1 ZINC000376482642 1187876507 /nfs/dbraw/zinc/87/65/07/1187876507.db2.gz CBPKHQXDTPANBT-ZNMIVQPWSA-N 0 3 376.461 0.078 20 0 GCADHN COC(=O)C[C@@H]1CC[C@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000892649428 1187878993 /nfs/dbraw/zinc/87/89/93/1187878993.db2.gz PBPSHZJIKFREOM-PMPSAXMXSA-N 0 3 382.505 0.960 20 0 GCADHN COC(=O)C[C@@H]1CC[C@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892649427 1187879126 /nfs/dbraw/zinc/87/91/26/1187879126.db2.gz PBPSHZJIKFREOM-OWCLPIDISA-N 0 3 382.505 0.960 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCc2c(=O)[nH]n(C)c2C1 ZINC000892650686 1187880712 /nfs/dbraw/zinc/88/07/12/1187880712.db2.gz PKSPFQOTVJHEEQ-AWEZNQCLSA-N 0 3 378.477 0.136 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000892650946 1187881469 /nfs/dbraw/zinc/88/14/69/1187881469.db2.gz SDLCLOVFOIDUAK-KHYOSLBOSA-N 0 3 379.505 0.226 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000892650916 1187881749 /nfs/dbraw/zinc/88/17/49/1187881749.db2.gz RYIUWEKSWGWJGX-KSZLIROESA-N 0 3 396.532 0.766 20 0 GCADHN CCOc1ccc(OC)cc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659111030 1187885964 /nfs/dbraw/zinc/88/59/64/1187885964.db2.gz XQUSNBRMYQFLJF-UHFFFAOYSA-N 0 3 375.385 0.303 20 0 GCADHN CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659111098 1187887253 /nfs/dbraw/zinc/88/72/53/1187887253.db2.gz ZJHRZKPDZUUQCL-NSHDSACASA-N 0 3 375.433 0.699 20 0 GCADHN COCCn1ccc2ccc(NC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)cc21 ZINC000659111056 1187887754 /nfs/dbraw/zinc/88/77/54/1187887754.db2.gz YMMCXBRJTSWYFN-UHFFFAOYSA-N 0 3 398.423 0.497 20 0 GCADHN O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CCC(Cn2cncn2)CC1 ZINC000659133167 1187901565 /nfs/dbraw/zinc/90/15/65/1187901565.db2.gz LHEYSMGAWIRKTJ-UHFFFAOYSA-N 0 3 388.516 0.994 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)CC1 ZINC000613541673 1187912975 /nfs/dbraw/zinc/91/29/75/1187912975.db2.gz QVPGNZRZGYGFBX-OALUTQOASA-N 0 3 399.539 0.287 20 0 GCADHN N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCN1C(=O)CNC1=O ZINC000659251302 1187921129 /nfs/dbraw/zinc/92/11/29/1187921129.db2.gz CZHVQOUPPJEEAF-SFHVURJKSA-N 0 3 396.447 0.803 20 0 GCADHN O=C(CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)N1CCc2ccccc2C1 ZINC000892674784 1187923680 /nfs/dbraw/zinc/92/36/80/1187923680.db2.gz YIFSHSCOHCYEHM-RBUKOAKNSA-N 0 3 386.496 0.812 20 0 GCADHN Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H](c2ccccc2)N(C)C)cn1C ZINC000511514389 1187941960 /nfs/dbraw/zinc/94/19/60/1187941960.db2.gz RIVSZOHGCRRIIO-MRXNPFEDSA-N 0 3 393.513 0.816 20 0 GCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000973272194 1187942724 /nfs/dbraw/zinc/94/27/24/1187942724.db2.gz DUUDGXBDWNTGIZ-UXJCHEOYSA-N 0 3 379.501 0.674 20 0 GCADHN CC1(C)CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@]2(CCOC2)O1 ZINC000659345248 1187945299 /nfs/dbraw/zinc/94/52/99/1187945299.db2.gz GGKNMSWWIAUXNW-UZLBHIALSA-N 0 3 379.501 0.870 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000973366424 1187953594 /nfs/dbraw/zinc/95/35/94/1187953594.db2.gz ROEDCBGBIGTDQE-UXJCHEOYSA-N 0 3 379.501 0.676 20 0 GCADHN Cc1nc(C)n(C[C@H]2CCCN([C@@H](C)C(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000106178487 1187956336 /nfs/dbraw/zinc/95/63/36/1187956336.db2.gz RMMAUEFBOADGOK-BBRMVZONSA-N 0 3 376.505 0.719 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000659424842 1187956562 /nfs/dbraw/zinc/95/65/62/1187956562.db2.gz GZMNEYVSIWUUJW-INIZCTEOSA-N 0 3 386.456 0.341 20 0 GCADHN O=C(NCC1(CN2CCOCC2)CCCCC1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000650967919 1187957033 /nfs/dbraw/zinc/95/70/33/1187957033.db2.gz CITOFQNLWIUYEC-GOSISDBHSA-N 0 3 380.533 0.730 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1F ZINC000376593148 1187959337 /nfs/dbraw/zinc/95/93/37/1187959337.db2.gz QGSHHKCGLCLTAR-STQMWFEESA-N 0 3 386.449 0.719 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000892687199 1187960970 /nfs/dbraw/zinc/96/09/70/1187960970.db2.gz HQMRSFBHXMBRGC-UHFFFAOYSA-N 0 3 399.536 0.511 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 ZINC000659457370 1187961245 /nfs/dbraw/zinc/96/12/45/1187961245.db2.gz DZXMWZUFPMJTAL-ZDUSSCGKSA-N 0 3 390.831 0.899 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)n1 ZINC000659461284 1187961806 /nfs/dbraw/zinc/96/18/06/1187961806.db2.gz GUJOJNGTVLPAQY-BZUAXINKSA-N 0 3 396.451 0.597 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCOc2ccc(C(F)(F)F)cn2)n1 ZINC000659469566 1187962295 /nfs/dbraw/zinc/96/22/95/1187962295.db2.gz NWEDMFAZKIWTPS-UHFFFAOYSA-N 0 3 386.334 0.933 20 0 GCADHN Cc1cc(N2CCC(NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)nc(C)n1 ZINC000659466415 1187962446 /nfs/dbraw/zinc/96/24/46/1187962446.db2.gz PGLJZGZNLGMULV-UHFFFAOYSA-N 0 3 386.460 0.516 20 0 GCADHN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659473906 1187963397 /nfs/dbraw/zinc/96/33/97/1187963397.db2.gz WYQTZMJDCBQMNS-LBPRGKRZSA-N 0 3 393.469 0.693 20 0 GCADHN C[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(=O)N1c2ccccc2C[C@H]1C ZINC000659500223 1187966590 /nfs/dbraw/zinc/96/65/90/1187966590.db2.gz GQUTUKQCQBTTNH-NEPJUHHUSA-N 0 3 384.440 0.806 20 0 GCADHN Cc1cc(CNCC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)ncn1 ZINC001104673418 1187975290 /nfs/dbraw/zinc/97/52/90/1187975290.db2.gz XIJFWODKHKQRBR-QIJZBDPFSA-N 0 3 375.473 0.392 20 0 GCADHN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659629249 1187977880 /nfs/dbraw/zinc/97/78/80/1187977880.db2.gz DGAUYWIHDWQCPS-UHFFFAOYSA-N 0 3 392.485 0.859 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)n1 ZINC000659630650 1187978310 /nfs/dbraw/zinc/97/83/10/1187978310.db2.gz LGAWABSKXMWWPL-XPTSAGLGSA-N 0 3 377.367 0.924 20 0 GCADHN CCOc1cccc(CN(CCO)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659629597 1187978317 /nfs/dbraw/zinc/97/83/17/1187978317.db2.gz HVDLGTOSXWBPBJ-UHFFFAOYSA-N 0 3 375.429 0.744 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)n1 ZINC000659630530 1187978359 /nfs/dbraw/zinc/97/83/59/1187978359.db2.gz KCOABWLJSGXAKX-KBXCAEBGSA-N 0 3 375.404 0.745 20 0 GCADHN COc1cc(NCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc(OC)c1 ZINC000659631059 1187978624 /nfs/dbraw/zinc/97/86/24/1187978624.db2.gz PNNXCRVLNPAUCF-UHFFFAOYSA-N 0 3 376.417 0.569 20 0 GCADHN COc1ccc(CNCC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2C)nn1 ZINC001104686149 1187983657 /nfs/dbraw/zinc/98/36/57/1187983657.db2.gz XLIKFYWCOSRZQE-LVQVYYBASA-N 0 3 389.500 0.961 20 0 GCADHN CCN(CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659681739 1187992672 /nfs/dbraw/zinc/99/26/72/1187992672.db2.gz NIWJFLGSTXFQIQ-UHFFFAOYSA-N 0 3 386.456 0.290 20 0 GCADHN Cc1cccc(C)c1OC[C@@H](C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659680294 1187993321 /nfs/dbraw/zinc/99/33/21/1187993321.db2.gz MBSSVPCHVXAFKK-CYBMUJFWSA-N 0 3 387.440 0.458 20 0 GCADHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659676048 1187995102 /nfs/dbraw/zinc/99/51/02/1187995102.db2.gz VFOVIFPOUONGPJ-SECBINFHSA-N 0 3 395.366 0.119 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2cc(Cl)cc(Cl)c2)n1 ZINC000659686061 1187996956 /nfs/dbraw/zinc/99/69/56/1187996956.db2.gz BWRPSEHFMMCSRJ-UHFFFAOYSA-N 0 3 398.250 0.923 20 0 GCADHN CCCCOc1ncccc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659687703 1187997695 /nfs/dbraw/zinc/99/76/95/1187997695.db2.gz YISOKSZCZZFTAD-UHFFFAOYSA-N 0 3 388.428 0.147 20 0 GCADHN CC(C)OCc1ccccc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659698255 1187999298 /nfs/dbraw/zinc/99/92/98/1187999298.db2.gz DQBKJRFGFNDBPX-UHFFFAOYSA-N 0 3 387.440 0.499 20 0 GCADHN C[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc(OC(F)F)c1 ZINC000659698415 1187999424 /nfs/dbraw/zinc/99/94/24/1187999424.db2.gz NDSRESSPYYCTEG-VIFPVBQESA-N 0 3 395.366 0.736 20 0 GCADHN CCO[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(CC)CC ZINC000659691258 1188000285 /nfs/dbraw/zinc/00/02/85/1188000285.db2.gz FRBUEPDHSCVKPK-STQMWFEESA-N 0 3 379.461 0.357 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000659692962 1188000916 /nfs/dbraw/zinc/00/09/16/1188000916.db2.gz BVYFCENDJZPVLR-TZMCWYRMSA-N 0 3 387.415 0.849 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000659693198 1188001005 /nfs/dbraw/zinc/00/10/05/1188001005.db2.gz DAVKTDSWZQLRHC-CABCVRRESA-N 0 3 383.452 0.785 20 0 GCADHN CC[C@@H](CSc1ccccc1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659705528 1188001515 /nfs/dbraw/zinc/00/15/15/1188001515.db2.gz XWOZIWNRYSCDSY-LBPRGKRZSA-N 0 3 389.481 0.944 20 0 GCADHN CC[C@H](CSc1ccccc1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659705527 1188001928 /nfs/dbraw/zinc/00/19/28/1188001928.db2.gz XWOZIWNRYSCDSY-GFCCVEGCSA-N 0 3 389.481 0.944 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000659698787 1188004026 /nfs/dbraw/zinc/00/40/26/1188004026.db2.gz MDZHAHMTFVOPRI-TZMCWYRMSA-N 0 3 387.415 0.849 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Sc1ccccc1 ZINC000659701415 1188004826 /nfs/dbraw/zinc/00/48/26/1188004826.db2.gz GENWLHLMXNYXPF-LLVKDONJSA-N 0 3 375.454 0.554 20 0 GCADHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659703683 1188005764 /nfs/dbraw/zinc/00/57/64/1188005764.db2.gz DSOLNVCLGHDJCB-CYBMUJFWSA-N 0 3 387.440 0.988 20 0 GCADHN COC(=O)c1c(C)csc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000376655549 1188013810 /nfs/dbraw/zinc/01/38/10/1188013810.db2.gz HUSQPZJXYSJDNU-NWDGAFQWSA-N 0 3 381.454 0.761 20 0 GCADHN CCOc1ncccc1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000376694724 1188017256 /nfs/dbraw/zinc/01/72/56/1188017256.db2.gz OBZUHFGBMXAZCS-INIZCTEOSA-N 0 3 375.473 0.928 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N[C@H]1CCCn2nc(C(=O)OC)cc21 ZINC000892943634 1188027734 /nfs/dbraw/zinc/02/77/34/1188027734.db2.gz JDSGLOUBXUSXLC-KBPBESRZSA-N 0 3 379.461 0.915 20 0 GCADHN Cc1c(NC(=O)C(=O)N2CCCNCC2)cccc1S(=O)(=O)NC(C)(C)C ZINC000415316008 1188032274 /nfs/dbraw/zinc/03/22/74/1188032274.db2.gz IUFLXYDRFWLWFM-UHFFFAOYSA-N 0 3 396.513 0.832 20 0 GCADHN Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@H]2O)cn1 ZINC001025766026 1188051053 /nfs/dbraw/zinc/05/10/53/1188051053.db2.gz DTSBHEMRUJIAPI-YLFCFFPRSA-N 0 3 389.500 0.086 20 0 GCADHN CCOC(=O)c1c(NC(=O)NC[C@H]2CNCCO2)cc(OC)c(OC)c1OC ZINC000415345183 1188055190 /nfs/dbraw/zinc/05/51/90/1188055190.db2.gz AAAOJLFMHGNMMY-LLVKDONJSA-N 0 3 397.428 0.999 20 0 GCADHN O=C(CNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)NCCN1CCCCC1 ZINC000909323075 1188057420 /nfs/dbraw/zinc/05/74/20/1188057420.db2.gz HVADBELUPZOMCX-UHFFFAOYSA-N 0 3 375.473 0.583 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1OC ZINC000415384786 1188068029 /nfs/dbraw/zinc/06/80/29/1188068029.db2.gz ZBXGBSVHRKMEBT-CYBMUJFWSA-N 0 3 398.485 0.606 20 0 GCADHN N[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1ccccc1 ZINC000415385592 1188068156 /nfs/dbraw/zinc/06/81/56/1188068156.db2.gz FHQWOZQVOTVXOB-SFHVURJKSA-N 0 3 395.463 0.373 20 0 GCADHN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000377552957 1188071406 /nfs/dbraw/zinc/07/14/06/1188071406.db2.gz LGCBSYNWAFZOPO-CXAGYDPISA-N 0 3 387.484 0.527 20 0 GCADHN CCS(=O)(=O)NCCN(C)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001267665283 1188085296 /nfs/dbraw/zinc/08/52/96/1188085296.db2.gz FULUFKQDUKXAAE-JHMPBIJASA-N 0 3 385.530 0.129 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)CC1 ZINC000644618902 1188095171 /nfs/dbraw/zinc/09/51/71/1188095171.db2.gz AMEDHCHMOLYIMB-SFHVURJKSA-N 0 3 382.468 0.751 20 0 GCADHN CCN(CC)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000377721012 1188114918 /nfs/dbraw/zinc/11/49/18/1188114918.db2.gz DOPGXOICCSAFSN-HZPDHXFCSA-N 0 3 375.473 0.846 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000377730094 1188120355 /nfs/dbraw/zinc/12/03/55/1188120355.db2.gz QQRSLQYGHMUJTO-JKSUJKDBSA-N 0 3 388.424 0.561 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377756171 1188132507 /nfs/dbraw/zinc/13/25/07/1188132507.db2.gz PGQOWKHKSDVERK-SWLSCSKDSA-N 0 3 384.502 0.806 20 0 GCADHN C[C@@H]1CN(c2cc(C(N)=O)nc(N3C[C@H](C)N(C)C[C@H]3C)n2)[C@H](C)CN1C ZINC000893077651 1188138115 /nfs/dbraw/zinc/13/81/15/1188138115.db2.gz BNDXWAVQYVAKMK-LXTVHRRPSA-N 0 3 375.521 0.633 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000415679679 1188140670 /nfs/dbraw/zinc/14/06/70/1188140670.db2.gz QEADVENITFYWGM-BXUZGUMPSA-N 0 3 377.445 0.397 20 0 GCADHN NC(=O)CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000415715743 1188147769 /nfs/dbraw/zinc/14/77/69/1188147769.db2.gz VUPIPKQKCAYFFI-KRWDZBQOSA-N 0 3 396.447 0.883 20 0 GCADHN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000415717681 1188148548 /nfs/dbraw/zinc/14/85/48/1188148548.db2.gz YWMCKAITUFOHET-QGZVFWFLSA-N 0 3 396.447 0.997 20 0 GCADHN NC(=O)CCOc1ccc(NC(=O)C(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000415718051 1188148995 /nfs/dbraw/zinc/14/89/95/1188148995.db2.gz ZSUIIRBXKOUJCJ-SFHVURJKSA-N 0 3 396.447 0.883 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000549348907 1188154843 /nfs/dbraw/zinc/15/48/43/1188154843.db2.gz QPNZBJXJOWDYRJ-HOCLYGCPSA-N 0 3 388.468 0.965 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000278820831 1188160908 /nfs/dbraw/zinc/16/09/08/1188160908.db2.gz IKAKJABASKDHHP-HNNXBMFYSA-N 0 3 385.468 0.893 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000377917283 1189373324 /nfs/dbraw/zinc/37/33/24/1189373324.db2.gz SGTBKIMLPPFYQG-RTBURBONSA-N 0 3 394.560 0.888 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000377917281 1189373679 /nfs/dbraw/zinc/37/36/79/1189373679.db2.gz SGTBKIMLPPFYQG-OALUTQOASA-N 0 3 394.560 0.888 20 0 GCADHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000415848532 1189380453 /nfs/dbraw/zinc/38/04/53/1189380453.db2.gz VIYRALRXKOTCGD-KRWDZBQOSA-N 0 3 384.436 0.868 20 0 GCADHN CCOC(=O)c1c(CC)c(C)sc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415857019 1189386491 /nfs/dbraw/zinc/38/64/91/1189386491.db2.gz BQZFUMPMOBXWAV-NSHDSACASA-N 0 3 383.470 0.839 20 0 GCADHN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NC[C@@H]3CNCCO3)cc2F)n1 ZINC000415857997 1189387032 /nfs/dbraw/zinc/38/70/32/1189387032.db2.gz DHXXXHDYXPGYQU-AWEZNQCLSA-N 0 3 375.404 0.671 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000415857531 1189387447 /nfs/dbraw/zinc/38/74/47/1189387447.db2.gz CVXSPZDKROEYDV-SNVBAGLBSA-N 0 3 379.310 0.810 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@H]2CNCCO2)nn1-c1cccc(Cl)c1 ZINC000415859334 1189387609 /nfs/dbraw/zinc/38/76/09/1189387609.db2.gz FWWZUAJXPCZOMH-CQSZACIVSA-N 0 3 377.832 0.877 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NC[C@@H]2CNCCO2)C[C@@H](C)O1 ZINC000415866738 1189388155 /nfs/dbraw/zinc/38/81/55/1189388155.db2.gz OPONSVJUOODQCH-INMHGKMJSA-N 0 3 390.484 0.339 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000415864581 1189390654 /nfs/dbraw/zinc/39/06/54/1189390654.db2.gz MOBSTTPAXYEBNB-CQSZACIVSA-N 0 3 397.357 0.934 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c2ccccc2O1 ZINC000415876968 1189392750 /nfs/dbraw/zinc/39/27/50/1189392750.db2.gz HDFKRQZFFZBVAM-ZFWWWQNUSA-N 0 3 384.440 0.714 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c2ccccc2O1 ZINC000415876967 1189393238 /nfs/dbraw/zinc/39/32/38/1189393238.db2.gz HDFKRQZFFZBVAM-UKRRQHHQSA-N 0 3 384.440 0.714 20 0 GCADHN COC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CNCCO2)c1OC(C)C ZINC000415871521 1189393953 /nfs/dbraw/zinc/39/39/53/1189393953.db2.gz VGWCIUFJROZGTM-GFCCVEGCSA-N 0 3 379.413 0.304 20 0 GCADHN CCN1C(=O)[C@@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000377999166 1189403158 /nfs/dbraw/zinc/40/31/58/1189403158.db2.gz ILIUEPAPWPPPKZ-SFHVURJKSA-N 0 3 399.495 0.694 20 0 GCADHN O=C(NCCN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)CNCCO2 ZINC000415979681 1189411485 /nfs/dbraw/zinc/41/14/85/1189411485.db2.gz XMQYDFHRKHTLTC-UHFFFAOYSA-N 0 3 397.483 0.902 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCCO3)C1=O ZINC000415974981 1189412607 /nfs/dbraw/zinc/41/26/07/1189412607.db2.gz OYBZRCRQZYMHFJ-CQSZACIVSA-N 0 3 376.413 0.454 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)NC(C)C)cc2)CC1 ZINC000049219520 1189433293 /nfs/dbraw/zinc/43/32/93/1189433293.db2.gz CFBVYJRNMYBPCO-UHFFFAOYSA-N 0 3 389.500 0.403 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H]2CCCC[C@@H]21 ZINC000659903269 1189440320 /nfs/dbraw/zinc/44/03/20/1189440320.db2.gz XBQXJJMVUWSBMX-KZNAEPCWSA-N 0 3 390.528 0.790 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378228489 1189448556 /nfs/dbraw/zinc/44/85/56/1189448556.db2.gz NEQYRAXVLSWZMA-DOMZBBRYSA-N 0 3 384.502 0.949 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)N1CCCC1 ZINC000041598647 1189452359 /nfs/dbraw/zinc/45/23/59/1189452359.db2.gz CVRFWUFAPVBNMR-AWEZNQCLSA-N 0 3 386.452 0.875 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1 ZINC000041598432 1189452614 /nfs/dbraw/zinc/45/26/14/1189452614.db2.gz YWYDMQOSYLLTFM-CQSZACIVSA-N 0 3 376.457 0.741 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000041719227 1189457262 /nfs/dbraw/zinc/45/72/62/1189457262.db2.gz UBQSXXPYAWHPPB-UHFFFAOYSA-N 0 3 376.457 0.540 20 0 GCADHN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000378301212 1189469570 /nfs/dbraw/zinc/46/95/70/1189469570.db2.gz HOHILONRGIUDTI-SFHVURJKSA-N 0 3 387.484 0.822 20 0 GCADHN Cc1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)cc1N1CCCS1(=O)=O ZINC000378321022 1189475225 /nfs/dbraw/zinc/47/52/25/1189475225.db2.gz WFNRIQIKVBTVCT-KRWDZBQOSA-N 0 3 378.498 0.863 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000668890933 1189495357 /nfs/dbraw/zinc/49/53/57/1189495357.db2.gz GUKJJJNXMJJVGS-GBESFXJTSA-N 0 3 394.560 0.983 20 0 GCADHN CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN(C)C)c3)CCN2C1=O ZINC000363810893 1189496326 /nfs/dbraw/zinc/49/63/26/1189496326.db2.gz DCORGGQWQMGJAY-HNNXBMFYSA-N 0 3 387.440 0.182 20 0 GCADHN CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)[C@@H](C)C1 ZINC000659976488 1189497754 /nfs/dbraw/zinc/49/77/54/1189497754.db2.gz DQLNBHBQHBMDJT-QFBILLFUSA-N 0 3 386.496 0.799 20 0 GCADHN CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)[C@H](C)C1 ZINC000659976483 1189497988 /nfs/dbraw/zinc/49/79/88/1189497988.db2.gz DQLNBHBQHBMDJT-APWZRJJASA-N 0 3 386.496 0.799 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C(C)C)n2)CC1 ZINC000416381588 1189503879 /nfs/dbraw/zinc/50/38/79/1189503879.db2.gz CUFKHGWNHQGIPV-UHFFFAOYSA-N 0 3 385.534 0.718 20 0 GCADHN COC(=O)c1cc(C2CN(C(=O)NC[C@H](C)CN3CCN(C)CC3)C2)[nH]n1 ZINC000893236133 1189505387 /nfs/dbraw/zinc/50/53/87/1189505387.db2.gz DTZABEZDLJBQBR-ZDUSSCGKSA-N 0 3 378.477 0.189 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(CN3CCNC3=O)CC2)CC1 ZINC000893237265 1189508551 /nfs/dbraw/zinc/50/85/51/1189508551.db2.gz GPNSBTOERKCMLO-QGZVFWFLSA-N 0 3 394.564 0.707 20 0 GCADHN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@H](C)CN2CCN(CC)CC2)C1 ZINC000893238312 1189509795 /nfs/dbraw/zinc/50/97/95/1189509795.db2.gz RGFCFPSCWGDLJI-GVDBMIGSSA-N 0 3 399.536 0.008 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC(n3cc(C(C)=O)nn3)C2)CC1 ZINC000893238996 1189509974 /nfs/dbraw/zinc/50/99/74/1189509974.db2.gz QDPHOSMKLCYFOE-AWEZNQCLSA-N 0 3 377.493 0.321 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000544109782 1189510004 /nfs/dbraw/zinc/51/00/04/1189510004.db2.gz JGGZBWKGDOWABY-NQZOLGFYSA-N 0 3 381.498 0.084 20 0 GCADHN O=C(NC[C@H]1COC2(CCOCC2)O1)N1CCN(CC2CCOCC2)CC1 ZINC000378517752 1189525376 /nfs/dbraw/zinc/52/53/76/1189525376.db2.gz JNFZYGSGMPGZFL-KRWDZBQOSA-N 0 3 383.489 0.662 20 0 GCADHN CNS(=O)(=O)c1ccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000660013694 1189529995 /nfs/dbraw/zinc/52/99/95/1189529995.db2.gz TWJRMNNLGJQAPH-QGZVFWFLSA-N 0 3 380.514 0.333 20 0 GCADHN C[C@@H](O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C1 ZINC000893259643 1189551365 /nfs/dbraw/zinc/55/13/65/1189551365.db2.gz UBKVXSDLCJKQLV-JKSUJKDBSA-N 0 3 383.514 0.599 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000511570516 1189557154 /nfs/dbraw/zinc/55/71/54/1189557154.db2.gz DTBSHPRNRJQYEK-KBAYOESNSA-N 0 3 381.480 0.951 20 0 GCADHN CN(CCNCC(=O)NC[C@@H]1Cc2ccccc2O1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001481258933 1189562888 /nfs/dbraw/zinc/56/28/88/1189562888.db2.gz FVNKZFQLJQTHNQ-TXQSJXHQSA-N 0 3 399.491 0.578 20 0 GCADHN COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000416668816 1189570040 /nfs/dbraw/zinc/57/00/40/1189570040.db2.gz YUCIIUOXHZCMNK-OAHLLOKOSA-N 0 3 383.470 0.191 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C[C@H]3CNC(=O)C3)CC2)cc1 ZINC000660077940 1189576570 /nfs/dbraw/zinc/57/65/70/1189576570.db2.gz LVIOYGLUYHELBG-MRXNPFEDSA-N 0 3 380.514 0.027 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)CC1 ZINC000363930894 1189578976 /nfs/dbraw/zinc/57/89/76/1189578976.db2.gz DQWXBMZGQKPDCN-OXQOHEQNSA-N 0 3 391.516 0.334 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)C2=O)n1 ZINC000893275237 1189584139 /nfs/dbraw/zinc/58/41/39/1189584139.db2.gz MAICFZRRVGXTBG-JYJNAYRXSA-N 0 3 390.488 0.156 20 0 GCADHN CN(C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccco1 ZINC000416809635 1189585502 /nfs/dbraw/zinc/58/55/02/1189585502.db2.gz JIJXXDSBLGCNDY-CVEARBPZSA-N 0 3 377.489 0.736 20 0 GCADHN COc1ccc([C@H](CNC(=O)NC[C@H]2CNCCO2)N2CCOCC2)cc1 ZINC000416809616 1189586205 /nfs/dbraw/zinc/58/62/05/1189586205.db2.gz JHCZZQLVEXWAOR-MSOLQXFVSA-N 0 3 378.473 0.356 20 0 GCADHN CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000660121399 1189596308 /nfs/dbraw/zinc/59/63/08/1189596308.db2.gz VPUGCVHTWGHWAM-IAGOWNOFSA-N 0 3 378.517 0.790 20 0 GCADHN CNC(=O)[C@H](NC(=O)CN1CCC(n2ncc3c2CNC3)CC1)c1ccccc1 ZINC000572713139 1189600087 /nfs/dbraw/zinc/60/00/87/1189600087.db2.gz HASZAACCESMZPG-HXUWFJFHSA-N 0 3 396.495 0.727 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C[C@H](C)O1 ZINC000416949715 1189600359 /nfs/dbraw/zinc/60/03/59/1189600359.db2.gz QQMZPXQFLNZXKF-FGTMMUONSA-N 0 3 395.548 0.339 20 0 GCADHN CNC(=O)[C@@H](NC(=O)CN1CCC(n2ncc3c2CNC3)CC1)c1ccccc1 ZINC000572713138 1189600367 /nfs/dbraw/zinc/60/03/67/1189600367.db2.gz HASZAACCESMZPG-FQEVSTJZSA-N 0 3 396.495 0.727 20 0 GCADHN CCNc1nc(NCc2cc(S(N)(=O)=O)ccc2F)nc(NC(C)(C)C)n1 ZINC000651416495 1189606336 /nfs/dbraw/zinc/60/63/36/1189606336.db2.gz KBWNBCNUTYRZNB-UHFFFAOYSA-N 0 3 397.480 0.756 20 0 GCADHN COC(=O)c1cn([C@H]2CCCN(CCCN3C(=O)NC(C)(C)C3=O)C2)nn1 ZINC000363996733 1189607307 /nfs/dbraw/zinc/60/73/07/1189607307.db2.gz FNEIERVHIUKMKD-LBPRGKRZSA-N 0 3 378.433 0.422 20 0 GCADHN C[C@@H](NC(=O)NC[C@@H]1CNCCO1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000417029553 1189609212 /nfs/dbraw/zinc/60/92/12/1189609212.db2.gz NPWQZIUOPSNZHH-DYVFJYSZSA-N 0 3 376.457 0.693 20 0 GCADHN COC(=O)c1cn([C@@H]2CCCN(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)C2)nn1 ZINC000364014794 1189614336 /nfs/dbraw/zinc/61/43/36/1189614336.db2.gz POPGNQGNBQMOMA-NWANDNLSSA-N 0 3 376.461 0.894 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000417121927 1189618587 /nfs/dbraw/zinc/61/85/87/1189618587.db2.gz AAOMQPJKJPDIGP-ZIAGYGMSSA-N 0 3 384.502 0.503 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCOC2CCCC2)CC1 ZINC000584670971 1189619772 /nfs/dbraw/zinc/61/97/72/1189619772.db2.gz AWYHBZLZJNUPNK-QGZVFWFLSA-N 0 3 394.516 0.217 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC000417134258 1189623568 /nfs/dbraw/zinc/62/35/68/1189623568.db2.gz XPSDEGXFKXEDSW-KBPBESRZSA-N 0 3 384.502 0.503 20 0 GCADHN CCN1C(=O)[C@@H]2CN(C[C@@H](O)Cn3cnc4cc(C)c(C)cc43)CCN2C1=O ZINC000364043266 1189627867 /nfs/dbraw/zinc/62/78/67/1189627867.db2.gz TZBFFVZCOPWHAV-QAPCUYQASA-N 0 3 385.468 0.982 20 0 GCADHN CO[C@H](CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000296116417 1189636030 /nfs/dbraw/zinc/63/60/30/1189636030.db2.gz FGZNVSOHNYFNKH-QZTJIDSGSA-N 0 3 395.525 0.942 20 0 GCADHN COc1ccc2ccccc2c1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584731005 1189643150 /nfs/dbraw/zinc/64/31/50/1189643150.db2.gz DJIJIJSZTJQUDH-YOEHRIQHSA-N 0 3 396.447 0.235 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(-c3ccnn3C)nn2)CC1 ZINC000417324144 1189647388 /nfs/dbraw/zinc/64/73/88/1189647388.db2.gz PTLBVNJBVXXXGW-INIZCTEOSA-N 0 3 398.471 0.647 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)C2=O)n(C)n1 ZINC000893302731 1189651822 /nfs/dbraw/zinc/65/18/22/1189651822.db2.gz HMCGJDHPPPXGQO-HRCADAONSA-N 0 3 390.488 0.074 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 ZINC000651432078 1189659343 /nfs/dbraw/zinc/65/93/43/1189659343.db2.gz QHHKVPDVURDKAH-SFHVURJKSA-N 0 3 395.475 0.922 20 0 GCADHN C[C@@H]1CN(C(=O)NCCN2CCN(c3ncccn3)CC2)CCN(C2CC2)C1 ZINC000582106787 1189666328 /nfs/dbraw/zinc/66/63/28/1189666328.db2.gz QCFGSXUGWBRDRF-KRWDZBQOSA-N 0 3 387.532 0.724 20 0 GCADHN COC(=O)C(C)(C)c1csc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000584792679 1189669718 /nfs/dbraw/zinc/66/97/18/1189669718.db2.gz OUIXFHWGFRNRMX-ZJUUUORDSA-N 0 3 381.458 0.369 20 0 GCADHN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCN1 ZINC000417626823 1189693277 /nfs/dbraw/zinc/69/32/77/1189693277.db2.gz RRAAGVOFGQFXMU-HZPDHXFCSA-N 0 3 389.504 0.285 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000584874666 1189698977 /nfs/dbraw/zinc/69/89/77/1189698977.db2.gz CWUXYTLRWKZYSU-CQSZACIVSA-N 0 3 381.498 0.588 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CCN[C@H](C)[C@H]2C)c1 ZINC000417740687 1189703145 /nfs/dbraw/zinc/70/31/45/1189703145.db2.gz ICSACXHRYAYWAU-ZIAGYGMSSA-N 0 3 384.502 0.503 20 0 GCADHN Cc1noc([C@H](C)N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)CC2)n1 ZINC000660279060 1189703994 /nfs/dbraw/zinc/70/39/94/1189703994.db2.gz IBSNELOUSLTQKT-IMJJTQAJSA-N 0 3 390.488 0.278 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000660335821 1189715612 /nfs/dbraw/zinc/71/56/12/1189715612.db2.gz KNIBSOIKRDFSRO-MRXNPFEDSA-N 0 3 396.513 0.647 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)nn1 ZINC000500110667 1189717824 /nfs/dbraw/zinc/71/78/24/1189717824.db2.gz OZENVFOABJIUJK-WMLDXEAASA-N 0 3 386.456 0.913 20 0 GCADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000500132918 1189721907 /nfs/dbraw/zinc/72/19/07/1189721907.db2.gz PFLJPZNGBTXVTE-SCLBCKFNSA-N 0 3 375.469 0.857 20 0 GCADHN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000616477978 1189721934 /nfs/dbraw/zinc/72/19/34/1189721934.db2.gz IFTOWCLCBASKKX-BZUAXINKSA-N 0 3 377.489 0.949 20 0 GCADHN COCCCCCNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105288059 1189766818 /nfs/dbraw/zinc/76/68/18/1189766818.db2.gz BWFFKGGIZXWJMW-LFDJNIOPSA-N 0 3 389.500 0.991 20 0 GCADHN C[C@H](C(=O)NCC(=O)NCCN1CCCCC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000909325967 1189790401 /nfs/dbraw/zinc/79/04/01/1189790401.db2.gz AWLSVTIMVYBPQK-OAGGEKHMSA-N 0 3 392.500 0.268 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)CCC(=O)N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000364416964 1189793572 /nfs/dbraw/zinc/79/35/72/1189793572.db2.gz HFMOOOWVLMEATB-IAGOWNOFSA-N 0 3 381.517 0.973 20 0 GCADHN COc1ccc2c(c1)OC[C@H](C(=O)NCC(=O)NCCN1CCCCC1)C2 ZINC000909326790 1189793862 /nfs/dbraw/zinc/79/38/62/1189793862.db2.gz XVPJIECRMIRRMK-MRXNPFEDSA-N 0 3 375.469 0.965 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000509727838 1189794190 /nfs/dbraw/zinc/79/41/90/1189794190.db2.gz ZPSGHCZLACVXNK-UHFFFAOYSA-N 0 3 398.454 0.698 20 0 GCADHN Cc1ccc2c(c1)C(=O)N(CC(=O)NCC(=O)NCCN1CCCCC1)C2=O ZINC000909326987 1189794821 /nfs/dbraw/zinc/79/48/21/1189794821.db2.gz JGDUIWLBICYTNZ-UHFFFAOYSA-N 0 3 386.452 0.309 20 0 GCADHN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909327755 1189795902 /nfs/dbraw/zinc/79/59/02/1189795902.db2.gz CRXAVYCCOOBGGN-LJQANCHMSA-N 0 3 386.496 0.678 20 0 GCADHN O=C(CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)NCCN1CCCCC1 ZINC000909328305 1189797476 /nfs/dbraw/zinc/79/74/76/1189797476.db2.gz IMCTXMCSUNCMQY-RYUDHWBXSA-N 0 3 378.395 0.162 20 0 GCADHN O=C(CNC(=O)c1cccc(N2C(=O)CCC2=O)c1)NCCN1CCCCC1 ZINC000909328792 1189797939 /nfs/dbraw/zinc/79/79/39/1189797939.db2.gz QFGFJAJHTQBEGZ-UHFFFAOYSA-N 0 3 386.452 0.672 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000047145913 1189798108 /nfs/dbraw/zinc/79/81/08/1189798108.db2.gz MUCITVRVJTZXJO-OAHLLOKOSA-N 0 3 391.516 0.696 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000047145913 1189798114 /nfs/dbraw/zinc/79/81/14/1189798114.db2.gz MUCITVRVJTZXJO-OAHLLOKOSA-N 0 3 391.516 0.696 20 0 GCADHN O=C(CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)NCCN1CCCCC1 ZINC000909329334 1189800728 /nfs/dbraw/zinc/80/07/28/1189800728.db2.gz ZSMHKDZOBVWXJT-SFHVURJKSA-N 0 3 386.496 0.753 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1cnc(CC2CC2)nc1 ZINC000500387191 1189803290 /nfs/dbraw/zinc/80/32/90/1189803290.db2.gz FCVJPRQRZMZNIO-UHFFFAOYSA-N 0 3 376.505 0.941 20 0 GCADHN CSc1nc2nc(C)c(CC(=O)NC[C@H]3CN4CCC[C@H]4CO3)c(C)n2n1 ZINC000364467162 1189816324 /nfs/dbraw/zinc/81/63/24/1189816324.db2.gz QBEBXDZFXYHSAE-KBPBESRZSA-N 0 3 390.513 0.985 20 0 GCADHN C[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1CC(C)(C)O ZINC000893373334 1189821511 /nfs/dbraw/zinc/82/15/11/1189821511.db2.gz DPCVGPCEKGBYME-INIZCTEOSA-N 0 3 397.541 0.989 20 0 GCADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000660470338 1189842093 /nfs/dbraw/zinc/84/20/93/1189842093.db2.gz OCZLBRYZFRVYOG-PKOBYXMFSA-N 0 3 388.512 0.244 20 0 GCADHN COCCOCCN(C)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000660470664 1189844816 /nfs/dbraw/zinc/84/48/16/1189844816.db2.gz VHAAOVMUBBHDEC-SFHVURJKSA-N 0 3 377.485 0.841 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000466932790 1189879239 /nfs/dbraw/zinc/87/92/39/1189879239.db2.gz MDPQMRXDYOKQIY-FUHWJXTLSA-N 0 3 377.533 0.809 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCN2CC(F)F)CC1 ZINC000636601908 1189883808 /nfs/dbraw/zinc/88/38/08/1189883808.db2.gz XUCWYVDVVKJOSQ-AWEZNQCLSA-N 0 3 376.448 0.059 20 0 GCADHN Cn1ncc2c1nc(CNC[C@@H]1CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C1)[nH]c2=O ZINC001026963733 1189898253 /nfs/dbraw/zinc/89/82/53/1189898253.db2.gz UMLPLOJFEATFDD-AADIFLRRSA-N 0 3 398.467 0.430 20 0 GCADHN COCCN(C)CCNC(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000660584306 1189911005 /nfs/dbraw/zinc/91/10/05/1189911005.db2.gz JZFJFJZTIJLGNS-CALCHBBNSA-N 0 3 388.468 0.391 20 0 GCADHN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893403753 1189918363 /nfs/dbraw/zinc/91/83/63/1189918363.db2.gz WBTUYXGGKCLHQE-BRWVUGGUSA-N 0 3 380.489 0.007 20 0 GCADHN COCC1(NCC(=O)Nc2cc(-n3nnnc3C)ccc2F)CCOCC1 ZINC000660635358 1189918947 /nfs/dbraw/zinc/91/89/47/1189918947.db2.gz VAWCKKFQYWRJIL-UHFFFAOYSA-N 0 3 378.408 0.834 20 0 GCADHN COCC1(NCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CCOCC1 ZINC000660633348 1189918992 /nfs/dbraw/zinc/91/89/92/1189918992.db2.gz FEXJPZLPAVOCMA-ZDUSSCGKSA-N 0 3 397.497 0.397 20 0 GCADHN COCC1(NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CCOCC1 ZINC000660634704 1189919898 /nfs/dbraw/zinc/91/98/98/1189919898.db2.gz SWRZDXCNFVXICH-UHFFFAOYSA-N 0 3 385.486 0.661 20 0 GCADHN CC1(C)CCN(CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)C[C@H]32)C1 ZINC000975212623 1189926975 /nfs/dbraw/zinc/92/69/75/1189926975.db2.gz XFJSBADGXWLBEY-YYIAUSFCSA-N 0 3 390.528 0.679 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000975221807 1189929586 /nfs/dbraw/zinc/92/95/86/1189929586.db2.gz IHMLZVUDLBOIIB-LVQVYYBASA-N 0 3 376.501 0.254 20 0 GCADHN CN(CCOC(C)(C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000660682603 1189934152 /nfs/dbraw/zinc/93/41/52/1189934152.db2.gz HCOFPWTZPOWLOR-HNNXBMFYSA-N 0 3 382.505 0.025 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccnc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000642349389 1189942331 /nfs/dbraw/zinc/94/23/31/1189942331.db2.gz NEMDBTKGOWXAGP-MRXNPFEDSA-N 0 3 396.513 0.463 20 0 GCADHN CCN1CCCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000660791319 1189951166 /nfs/dbraw/zinc/95/11/66/1189951166.db2.gz OFRAXQQABRNHFT-AWEZNQCLSA-N 0 3 379.505 0.384 20 0 GCADHN CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000049279220 1189954459 /nfs/dbraw/zinc/95/44/59/1189954459.db2.gz IRKLLVPJJOAUOJ-UHFFFAOYSA-N 0 3 391.472 0.947 20 0 GCADHN C[C@H](CNC(=O)N1CCn2c(nnc2C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000660831121 1189955351 /nfs/dbraw/zinc/95/53/51/1189955351.db2.gz QNJYEYSJGIXHEX-OAHLLOKOSA-N 0 3 377.537 0.984 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000660852847 1189956113 /nfs/dbraw/zinc/95/61/13/1189956113.db2.gz JHPOGPTUWXSIQJ-PMPSAXMXSA-N 0 3 379.505 0.239 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)c4cnc[n-]c4=O)[C@H]3C2)CC[N@@H+]1C ZINC000975739815 1189970213 /nfs/dbraw/zinc/97/02/13/1189970213.db2.gz MHTDCSNGAVGZES-DIECFANBSA-N 0 3 387.484 0.976 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)c4cnc[n-]c4=O)[C@H]3C2)CC[N@H+]1C ZINC000975739815 1189970214 /nfs/dbraw/zinc/97/02/14/1189970214.db2.gz MHTDCSNGAVGZES-DIECFANBSA-N 0 3 387.484 0.976 20 0 GCADHN CCCc1nnc([C@H]2CN(C(=O)C(=O)N3CCN(C)[C@@H](C(C)C)C3)CCO2)[nH]1 ZINC000660983175 1189976565 /nfs/dbraw/zinc/97/65/65/1189976565.db2.gz YNUUXNQPSJZBTA-HUUCEWRRSA-N 0 3 392.504 0.456 20 0 GCADHN CCCc1nc([C@H]2CN(C(=O)C(=O)N3CCN(C)[C@@H](C(C)C)C3)CCO2)n[nH]1 ZINC000660983175 1189976566 /nfs/dbraw/zinc/97/65/66/1189976566.db2.gz YNUUXNQPSJZBTA-HUUCEWRRSA-N 0 3 392.504 0.456 20 0 GCADHN CCCc1n[nH]c([C@H]2CN(C(=O)C(=O)N3CCN(C)[C@@H](C(C)C)C3)CCO2)n1 ZINC000660983175 1189976567 /nfs/dbraw/zinc/97/65/67/1189976567.db2.gz YNUUXNQPSJZBTA-HUUCEWRRSA-N 0 3 392.504 0.456 20 0 GCADHN CCCc1nnc([C@H]2CN(C(=O)C(=O)N3CCN(C)[C@H](C(C)C)C3)CCO2)[nH]1 ZINC000660983178 1189976598 /nfs/dbraw/zinc/97/65/98/1189976598.db2.gz YNUUXNQPSJZBTA-LSDHHAIUSA-N 0 3 392.504 0.456 20 0 GCADHN CCCc1nc([C@H]2CN(C(=O)C(=O)N3CCN(C)[C@H](C(C)C)C3)CCO2)n[nH]1 ZINC000660983178 1189976599 /nfs/dbraw/zinc/97/65/99/1189976599.db2.gz YNUUXNQPSJZBTA-LSDHHAIUSA-N 0 3 392.504 0.456 20 0 GCADHN CCCc1n[nH]c([C@H]2CN(C(=O)C(=O)N3CCN(C)[C@H](C(C)C)C3)CCO2)n1 ZINC000660983178 1189976600 /nfs/dbraw/zinc/97/66/00/1189976600.db2.gz YNUUXNQPSJZBTA-LSDHHAIUSA-N 0 3 392.504 0.456 20 0 GCADHN CCCc1nnc([C@@H]2CN(C(=O)C(=O)N3CCN(C)[C@@H](C(C)C)C3)CCO2)[nH]1 ZINC000660983169 1189976637 /nfs/dbraw/zinc/97/66/37/1189976637.db2.gz YNUUXNQPSJZBTA-CABCVRRESA-N 0 3 392.504 0.456 20 0 GCADHN CCCc1nc([C@@H]2CN(C(=O)C(=O)N3CCN(C)[C@@H](C(C)C)C3)CCO2)n[nH]1 ZINC000660983169 1189976638 /nfs/dbraw/zinc/97/66/38/1189976638.db2.gz YNUUXNQPSJZBTA-CABCVRRESA-N 0 3 392.504 0.456 20 0 GCADHN CCCc1n[nH]c([C@@H]2CN(C(=O)C(=O)N3CCN(C)[C@@H](C(C)C)C3)CCO2)n1 ZINC000660983169 1189976640 /nfs/dbraw/zinc/97/66/40/1189976640.db2.gz YNUUXNQPSJZBTA-CABCVRRESA-N 0 3 392.504 0.456 20 0 GCADHN O=C(CNC(=O)NCC1CCN(Cc2ccncc2)CC1)N1CCOCC1 ZINC000660995499 1189977281 /nfs/dbraw/zinc/97/72/81/1189977281.db2.gz OUUALBBTSUYGMO-UHFFFAOYSA-N 0 3 375.473 0.452 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC12CCC2 ZINC000660993839 1189979442 /nfs/dbraw/zinc/97/94/42/1189979442.db2.gz KEPJNCWSVHCLKG-IAGOWNOFSA-N 0 3 390.528 0.790 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC(=O)NC3CCN([C@@H]4CCOC4)CC3)C2=O)n1 ZINC000661010327 1189980846 /nfs/dbraw/zinc/98/08/46/1189980846.db2.gz ULZNRNNURRXZLT-CVEARBPZSA-N 0 3 390.488 0.468 20 0 GCADHN O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000647706414 1189993731 /nfs/dbraw/zinc/99/37/31/1189993731.db2.gz IXGUHZDXJBBVBK-IRXDYDNUSA-N 0 3 379.482 0.508 20 0 GCADHN C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCC(C(N)=O)(N3CCCCC3)CC1)CS2 ZINC000893429997 1190007155 /nfs/dbraw/zinc/00/71/55/1190007155.db2.gz XZCSIZNMKWKSSO-RDTXWAMCSA-N 0 3 394.541 0.773 20 0 GCADHN C[C@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC001671255616 1190013057 /nfs/dbraw/zinc/01/30/57/1190013057.db2.gz IDURAQSARNFFES-RDJZCZTQSA-N 0 3 386.562 0.479 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)n1 ZINC000662751251 1190017188 /nfs/dbraw/zinc/01/71/88/1190017188.db2.gz XCDFLPQJDPJWOW-LBPRGKRZSA-N 0 3 376.461 0.621 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662750753 1190017274 /nfs/dbraw/zinc/01/72/74/1190017274.db2.gz FVZVQQHOEFFQHX-UHFFFAOYSA-N 0 3 393.469 0.505 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)n1 ZINC000662751025 1190017318 /nfs/dbraw/zinc/01/73/18/1190017318.db2.gz RQLFSQOTLYVNSY-QGZVFWFLSA-N 0 3 375.404 0.470 20 0 GCADHN CCS(=O)(=O)NCc1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662751463 1190017603 /nfs/dbraw/zinc/01/76/03/1190017603.db2.gz BVOLECDACROUSA-UHFFFAOYSA-N 0 3 379.442 0.010 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)n1 ZINC000662754319 1190017944 /nfs/dbraw/zinc/01/79/44/1190017944.db2.gz KVGINMPOVVHWRJ-SNVBAGLBSA-N 0 3 375.816 0.964 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)n1 ZINC000662749286 1190018188 /nfs/dbraw/zinc/01/81/88/1190018188.db2.gz CNMZKWVYROVOQU-QGZVFWFLSA-N 0 3 375.404 0.470 20 0 GCADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662749153 1190018204 /nfs/dbraw/zinc/01/82/04/1190018204.db2.gz HERWCZKFHAZAFD-OAHLLOKOSA-N 0 3 385.424 0.571 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)n1 ZINC000662752428 1190018311 /nfs/dbraw/zinc/01/83/11/1190018311.db2.gz YWBHGWTTZXXGLG-UHFFFAOYSA-N 0 3 376.804 0.754 20 0 GCADHN C[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000662751818 1190018522 /nfs/dbraw/zinc/01/85/22/1190018522.db2.gz DPMNRLRPWZGFEQ-ZDUSSCGKSA-N 0 3 388.447 0.607 20 0 GCADHN COCCOc1cn(-c2ccccc2)nc1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662753415 1190019121 /nfs/dbraw/zinc/01/91/21/1190019121.db2.gz QRFWKYNABRPHBQ-UHFFFAOYSA-N 0 3 398.423 0.782 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)n1 ZINC000662753174 1190019154 /nfs/dbraw/zinc/01/91/54/1190019154.db2.gz PCGNJEPZSJGYLC-UHFFFAOYSA-N 0 3 377.426 0.111 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000661232711 1190019997 /nfs/dbraw/zinc/01/99/97/1190019997.db2.gz JXBMVGBVZZEDTA-SQNIBIBYSA-N 0 3 378.517 0.395 20 0 GCADHN CS(=O)(=O)c1ccc(OCCCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000647707998 1190024382 /nfs/dbraw/zinc/02/43/82/1190024382.db2.gz HFLKUGSRIJIJFO-HZPDHXFCSA-N 0 3 396.509 0.917 20 0 GCADHN CS(=O)(=O)c1ccc(OCCCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000647707997 1190025235 /nfs/dbraw/zinc/02/52/35/1190025235.db2.gz HFLKUGSRIJIJFO-HOTGVXAUSA-N 0 3 396.509 0.917 20 0 GCADHN O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000647708297 1190028159 /nfs/dbraw/zinc/02/81/59/1190028159.db2.gz KLRZIUBGBXETIM-SJORKVTESA-N 0 3 393.509 0.656 20 0 GCADHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000647708771 1190032232 /nfs/dbraw/zinc/03/22/32/1190032232.db2.gz NUXRWQSVYLSGOH-HOTGVXAUSA-N 0 3 393.509 0.717 20 0 GCADHN O=C(Cn1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cn1)NC1CCCCC1 ZINC000647709306 1190034212 /nfs/dbraw/zinc/03/42/12/1190034212.db2.gz UVJWPJFYGPGVPO-ROUUACIJSA-N 0 3 389.500 0.613 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000647710199 1190040157 /nfs/dbraw/zinc/04/01/57/1190040157.db2.gz SOVUCJHUXUCBRI-AWEZNQCLSA-N 0 3 375.404 0.198 20 0 GCADHN C[C@H](CO)[C@@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000661442022 1190048814 /nfs/dbraw/zinc/04/88/14/1190048814.db2.gz JMZBAWKYBWOLBO-PBHICJAKSA-N 0 3 383.514 0.476 20 0 GCADHN C[C@@H]1CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CCO ZINC000661492505 1190060280 /nfs/dbraw/zinc/06/02/80/1190060280.db2.gz KSQUQAHWEWUXFM-PBHICJAKSA-N 0 3 383.514 0.476 20 0 GCADHN COCCOCCN1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000651932201 1190073044 /nfs/dbraw/zinc/07/30/44/1190073044.db2.gz NTOJXDZUBKJHQF-UHFFFAOYSA-N 0 3 385.530 0.718 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N(C)[C@H]3CCN(C(C)C)C3)CC2)on1 ZINC000411016337 1193720755 /nfs/dbraw/zinc/72/07/55/1193720755.db2.gz ALKDTBNIAUNSAM-INIZCTEOSA-N 0 3 377.489 0.568 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)C[C@@H](O)COCc2ccccc2)C1 ZINC000411033008 1193724397 /nfs/dbraw/zinc/72/43/97/1193724397.db2.gz VDLDJUUOTUMKON-RBUKOAKNSA-N 0 3 391.512 0.964 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)CCN2C1=O ZINC000575816299 1193724842 /nfs/dbraw/zinc/72/48/42/1193724842.db2.gz NFMOJQCYMWBPJX-SCDSUCTJSA-N 0 3 378.379 0.088 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000759990206 1193727485 /nfs/dbraw/zinc/72/74/85/1193727485.db2.gz RTVHEIJQQKFACL-IRXDYDNUSA-N 0 3 375.473 0.983 20 0 GCADHN CC(=O)Nc1ccc(CNC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000512667669 1193730027 /nfs/dbraw/zinc/73/00/27/1193730027.db2.gz QPKLIXOWJKBYMG-UHFFFAOYSA-N 0 3 391.516 0.834 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1CN(C)C2=O ZINC000411209781 1193736333 /nfs/dbraw/zinc/73/63/33/1193736333.db2.gz UGYXOOXXRBXYDJ-AWEZNQCLSA-N 0 3 388.468 0.780 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000509776014 1193739816 /nfs/dbraw/zinc/73/98/16/1193739816.db2.gz YLELCGVKZGKVSO-LBPRGKRZSA-N 0 3 393.469 0.281 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000518802858 1193741948 /nfs/dbraw/zinc/74/19/48/1193741948.db2.gz WIVDGXXYCWRLNM-LSDHHAIUSA-N 0 3 377.464 0.906 20 0 GCADHN COc1cccc2c1OC[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C2 ZINC000663970859 1193742003 /nfs/dbraw/zinc/74/20/03/1193742003.db2.gz JVFOORQPSPQPLR-OAHLLOKOSA-N 0 3 378.473 0.660 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000152256999 1193746836 /nfs/dbraw/zinc/74/68/36/1193746836.db2.gz WNTHENQAFZBNOV-GOSISDBHSA-N 0 3 382.464 0.836 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCn3cccc3)CC2)C[C@@H](C)O1 ZINC000512737640 1193749211 /nfs/dbraw/zinc/74/92/11/1193749211.db2.gz ACXXQJZQLRISRJ-IAGOWNOFSA-N 0 3 376.501 0.952 20 0 GCADHN COCCOc1ccc(CNC(=O)CN2CCNC[C@H]2c2nccn2C)cc1 ZINC000261711681 1193754636 /nfs/dbraw/zinc/75/46/36/1193754636.db2.gz HHGJYZHKVXMPGU-SFHVURJKSA-N 0 3 387.484 0.708 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)N1CCc2ccccc2C1 ZINC000419240224 1193754969 /nfs/dbraw/zinc/75/49/69/1193754969.db2.gz QZNRBGGFRUYDEI-MPGHIAIKSA-N 0 3 388.512 0.779 20 0 GCADHN Cn1[nH]c(C2CCN(C(=O)CC3(N4CCOCC4)CCCC3)CC2)nc1=N ZINC000614297096 1193770080 /nfs/dbraw/zinc/77/00/80/1193770080.db2.gz WJJUKQHJLSDVQG-UHFFFAOYSA-N 0 3 376.505 0.969 20 0 GCADHN COc1cc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc(OC)c1 ZINC000473479259 1193772864 /nfs/dbraw/zinc/77/28/64/1193772864.db2.gz HTSOTICUFRKGKG-CQSZACIVSA-N 0 3 378.473 0.785 20 0 GCADHN CCc1ccc([C@@H](CNC(=O)C(=O)NCCCN2CCOCC2)N(C)C)cc1 ZINC000549882695 1193774389 /nfs/dbraw/zinc/77/43/89/1193774389.db2.gz UWZFLLJRNOUSGQ-LJQANCHMSA-N 0 3 390.528 0.806 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000419270063 1193778215 /nfs/dbraw/zinc/77/82/15/1193778215.db2.gz COXAQKQGEDPNGA-PBHICJAKSA-N 0 3 385.468 0.777 20 0 GCADHN COc1ccc(CN(C)C(=O)NCCCCN2CCN(CCO)CC2)cc1O ZINC000512810453 1193778955 /nfs/dbraw/zinc/77/89/55/1193778955.db2.gz ZTTSVRMNHAVZQX-UHFFFAOYSA-N 0 3 394.516 0.932 20 0 GCADHN Cc1cnn([C@H]2CCCN(C(=O)NCCCCN3CCN(CCO)CC3)C2)c1 ZINC000512819745 1193779051 /nfs/dbraw/zinc/77/90/51/1193779051.db2.gz HABHZJGQXXVVDI-IBGZPJMESA-N 0 3 392.548 0.928 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000509814631 1193784309 /nfs/dbraw/zinc/78/43/09/1193784309.db2.gz ZYNBMUWLYZIXOG-ZDUSSCGKSA-N 0 3 384.502 0.722 20 0 GCADHN CS(=O)(=O)c1cccc(NC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000512837987 1193787019 /nfs/dbraw/zinc/78/70/19/1193787019.db2.gz LEKYBPMVHPWRGU-UHFFFAOYSA-N 0 3 398.529 0.602 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000473483925 1193787369 /nfs/dbraw/zinc/78/73/69/1193787369.db2.gz VYFZUVCREUHZBN-AWEZNQCLSA-N 0 3 387.484 0.652 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCN(c2ccccn2)CC1 ZINC000512852712 1193787619 /nfs/dbraw/zinc/78/76/19/1193787619.db2.gz QLODNYHMMCWNTB-UHFFFAOYSA-N 0 3 390.532 0.303 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1nnnn1-c1ccccc1 ZINC000419303195 1193798004 /nfs/dbraw/zinc/79/80/04/1193798004.db2.gz NSWQJLDBYOUIHX-OUCADQQQSA-N 0 3 387.444 0.069 20 0 GCADHN Cc1noc(C2CCC(NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)n1 ZINC000419309193 1193801347 /nfs/dbraw/zinc/80/13/47/1193801347.db2.gz BSJWTILHPKIZHF-KWCMIHLGSA-N 0 3 379.461 0.750 20 0 GCADHN CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001745788600 1193808518 /nfs/dbraw/zinc/80/85/18/1193808518.db2.gz DXQDRUPIZPSKKS-UHFFFAOYSA-N 0 3 393.536 0.721 20 0 GCADHN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000473488474 1193810618 /nfs/dbraw/zinc/81/06/18/1193810618.db2.gz KOAORXSRQYXBJO-HNNXBMFYSA-N 0 3 389.500 0.435 20 0 GCADHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419322276 1193811550 /nfs/dbraw/zinc/81/15/50/1193811550.db2.gz GIXXCCHYPLALFF-SQNIBIBYSA-N 0 3 375.469 0.684 20 0 GCADHN CCCNC(=O)Cn1c(C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001745790299 1193812415 /nfs/dbraw/zinc/81/24/15/1193812415.db2.gz MVTFGTXKGMFQNS-QGZVFWFLSA-N 0 3 377.537 0.717 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000263247397 1193814199 /nfs/dbraw/zinc/81/41/99/1193814199.db2.gz NLIGMUWQRWOORL-APWZRJJASA-N 0 3 375.517 0.413 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1cccc(OC(F)(F)F)c1 ZINC000419322570 1193815717 /nfs/dbraw/zinc/81/57/17/1193815717.db2.gz SMVRBDANQMCSDT-MFKMUULPSA-N 0 3 375.347 0.867 20 0 GCADHN CCCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001745799987 1193828754 /nfs/dbraw/zinc/82/87/54/1193828754.db2.gz PMNFXQLZROPVDQ-QGZVFWFLSA-N 0 3 390.532 0.915 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1 ZINC000253540568 1193841757 /nfs/dbraw/zinc/84/17/57/1193841757.db2.gz QZJFTRXSBVVFAL-UHFFFAOYSA-N 0 3 388.472 0.298 20 0 GCADHN COc1cc(SC)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576293146 1193842416 /nfs/dbraw/zinc/84/24/16/1193842416.db2.gz JQGCFXAYAVJVOE-CMPLNLGQSA-N 0 3 378.454 0.126 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)CCN2C1=O ZINC000576293264 1193842460 /nfs/dbraw/zinc/84/24/60/1193842460.db2.gz OLBMUMLUNMCATP-CHWSQXEVSA-N 0 3 399.373 0.754 20 0 GCADHN Cc1csc(=O)n1CCNC/C=C/CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268569363 1193845553 /nfs/dbraw/zinc/84/55/53/1193845553.db2.gz DDGXZDWYJFMEDF-UNCVUKBVSA-N 0 3 381.498 0.532 20 0 GCADHN COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000419350914 1193846364 /nfs/dbraw/zinc/84/63/64/1193846364.db2.gz GMLULRAOXZQBCO-IRXDYDNUSA-N 0 3 390.484 0.159 20 0 GCADHN CN1CCN(CCCCNC(=O)NC[C@H](O)COc2cccc(F)c2)CC1 ZINC000728948378 1193846484 /nfs/dbraw/zinc/84/64/84/1193846484.db2.gz LJKFEVSFXRHCNX-KRWDZBQOSA-N 0 3 382.480 0.892 20 0 GCADHN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419350243 1193847155 /nfs/dbraw/zinc/84/71/55/1193847155.db2.gz WHMCWDWAIYYHNZ-INIZCTEOSA-N 0 3 375.404 0.041 20 0 GCADHN O=C(NCc1ccnc(OC2CCCCC2)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419355250 1193853228 /nfs/dbraw/zinc/85/32/28/1193853228.db2.gz FZWKUGQGTKOPDI-INIZCTEOSA-N 0 3 376.457 0.514 20 0 GCADHN CC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1nnc2n1CCCCC2 ZINC000419355584 1193853417 /nfs/dbraw/zinc/85/34/17/1193853417.db2.gz GHPACFDNNNNOKZ-IHRRRGAJSA-N 0 3 392.504 0.801 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2nnc3ccccn32)CC1 ZINC000171417173 1193857383 /nfs/dbraw/zinc/85/73/83/1193857383.db2.gz HQXVXLBCTWBRST-OAHLLOKOSA-N 0 3 387.488 0.986 20 0 GCADHN CN(CCCNC(=O)C1CCC1)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000571365606 1193859559 /nfs/dbraw/zinc/85/95/59/1193859559.db2.gz LMZAJPGMZNCHBR-INIZCTEOSA-N 0 3 380.533 0.988 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCn3cnnc3[C@@H]2C)CC1 ZINC000571443258 1193875650 /nfs/dbraw/zinc/87/56/50/1193875650.db2.gz YVXZPESFTJOXMB-CABCVRRESA-N 0 3 397.483 0.918 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NCCCCN2CCN(C)CC2)cc1OC ZINC000549907152 1193878260 /nfs/dbraw/zinc/87/82/60/1193878260.db2.gz JEEVHBLRJAHRNZ-UHFFFAOYSA-N 0 3 392.500 0.464 20 0 GCADHN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN([C@@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC001167927694 1193881842 /nfs/dbraw/zinc/88/18/42/1193881842.db2.gz NADNEWPJGXOXKI-QMPXSYISSA-N 0 3 390.509 0.808 20 0 GCADHN COCCOCCc1ncc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)[nH]1 ZINC000513123705 1193884090 /nfs/dbraw/zinc/88/40/90/1193884090.db2.gz WAPICNSHWYHELI-MRXNPFEDSA-N 0 3 380.489 0.800 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000894191398 1193899430 /nfs/dbraw/zinc/89/94/30/1193899430.db2.gz XZJHRQIIMQCXBY-OAHLLOKOSA-N 0 3 397.497 0.249 20 0 GCADHN CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419390182 1193901302 /nfs/dbraw/zinc/90/13/02/1193901302.db2.gz LVQBUUNWNKFVGA-ARFHVFGLSA-N 0 3 392.504 0.609 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(C(=O)OC)CC2)CC1 ZINC000729049807 1193903694 /nfs/dbraw/zinc/90/36/94/1193903694.db2.gz COTJFTAUYDFIAE-UHFFFAOYSA-N 0 3 383.493 0.413 20 0 GCADHN CN1CCN(CCNC(=O)[C@H](CS(C)(=O)=O)c2ccccc2)CC1(C)C ZINC000614451493 1193915566 /nfs/dbraw/zinc/91/55/66/1193915566.db2.gz WCBPJAMQLOIGRC-QGZVFWFLSA-N 0 3 381.542 0.957 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000408470277 1193915631 /nfs/dbraw/zinc/91/56/31/1193915631.db2.gz UIPJNUAAMNVYSI-PBHICJAKSA-N 0 3 380.514 0.976 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)cc1 ZINC000261602393 1193921067 /nfs/dbraw/zinc/92/10/67/1193921067.db2.gz AAFICJBLMYLVRM-KRWDZBQOSA-N 0 3 397.497 0.282 20 0 GCADHN N[C@H](C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000261678254 1193922987 /nfs/dbraw/zinc/92/29/87/1193922987.db2.gz GTIIVIKGGHZRMN-FQEVSTJZSA-N 0 3 388.512 0.986 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)o1 ZINC000261766914 1193925167 /nfs/dbraw/zinc/92/51/67/1193925167.db2.gz FMVBAUJZQKHDLS-LLVKDONJSA-N 0 3 398.407 0.062 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)nn1 ZINC000433684579 1193934148 /nfs/dbraw/zinc/93/41/48/1193934148.db2.gz JWAHJWPCOSJBSN-ZBFHGGJFSA-N 0 3 386.456 0.913 20 0 GCADHN CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](N)C3CCOCC3)c2)CC1 ZINC000262026329 1193936368 /nfs/dbraw/zinc/93/63/68/1193936368.db2.gz PCDHQZTZEPYVAT-KRWDZBQOSA-N 0 3 396.513 0.315 20 0 GCADHN COc1ccccc1[C@@H]1CNCCN1C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000262034253 1193936955 /nfs/dbraw/zinc/93/69/55/1193936955.db2.gz SQIYUPNZXGIGPP-AWEZNQCLSA-N 0 3 381.440 0.971 20 0 GCADHN N[C@@H](C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1)C1CCOCC1 ZINC000262042311 1193937432 /nfs/dbraw/zinc/93/74/32/1193937432.db2.gz QHFKZYQOHWYTHL-LJQANCHMSA-N 0 3 375.469 0.757 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000262084775 1193938544 /nfs/dbraw/zinc/93/85/44/1193938544.db2.gz KZMPFBCPWYXINS-INIZCTEOSA-N 0 3 382.411 0.349 20 0 GCADHN COC(C)(C)C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000513340813 1193939909 /nfs/dbraw/zinc/93/99/09/1193939909.db2.gz NQNDUXHGDQPILN-LSDHHAIUSA-N 0 3 382.505 0.071 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000262131405 1193940108 /nfs/dbraw/zinc/94/01/08/1193940108.db2.gz OBXIQVBDNZPKPH-ZOWXZIJZSA-N 0 3 383.518 0.790 20 0 GCADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C2=O)c1 ZINC000262144712 1193940430 /nfs/dbraw/zinc/94/04/30/1193940430.db2.gz OTZIOCLCYADATE-RDJZCZTQSA-N 0 3 392.456 0.025 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000262276741 1193944143 /nfs/dbraw/zinc/94/41/43/1193944143.db2.gz YYDUZPYIKYZUKE-SFHVURJKSA-N 0 3 396.451 0.582 20 0 GCADHN C[C@@H](Sc1nnnn1C1CC1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000513434565 1193950991 /nfs/dbraw/zinc/95/09/91/1193950991.db2.gz OEMXYKMEMFAXPN-OCCSQVGLSA-N 0 3 395.533 0.548 20 0 GCADHN C[C@H]1CN(C)c2ccccc2CN1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000182428209 1193951349 /nfs/dbraw/zinc/95/13/49/1193951349.db2.gz OWROWXXCCKAHOQ-AWEZNQCLSA-N 0 3 382.468 0.774 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCn1ncc(=O)c2ccccc21 ZINC000513439255 1193951714 /nfs/dbraw/zinc/95/17/14/1193951714.db2.gz MTTCURKYKSDPIH-GOSISDBHSA-N 0 3 399.495 0.846 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000513441145 1193952056 /nfs/dbraw/zinc/95/20/56/1193952056.db2.gz WPVXZGWCBTWPAQ-RDJZCZTQSA-N 0 3 378.517 0.836 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cn1ncc(=O)c2ccccc21 ZINC000513440661 1193952189 /nfs/dbraw/zinc/95/21/89/1193952189.db2.gz SOXSCOWXRWIOTD-QGZVFWFLSA-N 0 3 385.468 0.455 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000513441144 1193952292 /nfs/dbraw/zinc/95/22/92/1193952292.db2.gz WPVXZGWCBTWPAQ-NVXWUHKLSA-N 0 3 378.517 0.836 20 0 GCADHN COC(=O)c1cn([C@@H]2CCN(S(=O)(=O)c3ccc(CN(C)C)cc3)C2)nn1 ZINC000433883806 1193956866 /nfs/dbraw/zinc/95/68/66/1193956866.db2.gz RDCRTNDXOUBQOP-CQSZACIVSA-N 0 3 393.469 0.762 20 0 GCADHN C[C@H](CNCC(=O)NCc1ccc(F)cc1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268654788 1193958548 /nfs/dbraw/zinc/95/85/48/1193958548.db2.gz LTIPDWCDENNFHU-FGSOTHKPSA-N 0 3 375.444 0.960 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000263108301 1193962072 /nfs/dbraw/zinc/96/20/72/1193962072.db2.gz DHAPBFQQVQIXLK-KXBFYZLASA-N 0 3 376.501 0.623 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000263116112 1193962306 /nfs/dbraw/zinc/96/23/06/1193962306.db2.gz FWVYMDUQYVLRDO-AWEZNQCLSA-N 0 3 376.486 0.439 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000263116378 1193962319 /nfs/dbraw/zinc/96/23/19/1193962319.db2.gz FZFQPWNWOUNIPG-KDOFPFPSSA-N 0 3 389.500 0.830 20 0 GCADHN COC[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)OC ZINC000513560340 1193963263 /nfs/dbraw/zinc/96/32/63/1193963263.db2.gz NEVYYMIMUFEVCB-GOSISDBHSA-N 0 3 392.500 0.933 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000513599696 1193965722 /nfs/dbraw/zinc/96/57/22/1193965722.db2.gz ZSGRAKFZUBWZAJ-HZMVEIRTSA-N 0 3 381.517 0.875 20 0 GCADHN CC[C@H]1CN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CCN1CCOC ZINC000513628246 1193968243 /nfs/dbraw/zinc/96/82/43/1193968243.db2.gz HANHUTHQNMAUSR-ROUUACIJSA-N 0 3 384.546 0.959 20 0 GCADHN C[C@@H]1CN(c2ccnc(N3C[C@H](C)N(CCO)C[C@@H]3C)n2)[C@@H](C)CN1CCO ZINC000894234098 1193968317 /nfs/dbraw/zinc/96/83/17/1193968317.db2.gz RWOBENAUYLGVJW-OWSLCNJRSA-N 0 3 392.548 0.259 20 0 GCADHN C[C@@H]1CN(c2ccnc(N3C[C@H](C)N(CCO)C[C@H]3C)n2)[C@H](C)CN1CCO ZINC000894234101 1193968395 /nfs/dbraw/zinc/96/83/95/1193968395.db2.gz RWOBENAUYLGVJW-XMTFNYHQSA-N 0 3 392.548 0.259 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(N3CN=NC3=O)CC2)CC1 ZINC000664218793 1193970566 /nfs/dbraw/zinc/97/05/66/1193970566.db2.gz GAMXBWJWESCCDU-OAHLLOKOSA-N 0 3 379.509 0.604 20 0 GCADHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000279978020 1193971931 /nfs/dbraw/zinc/97/19/31/1193971931.db2.gz HZOCUWVRPGPPPH-RYGJVYDSSA-N 0 3 399.495 0.955 20 0 GCADHN C[C@H](CNC(=O)N[C@H](c1nccn1C)C(C)(C)CO)CN1CCN(C)CC1 ZINC000664220968 1193973412 /nfs/dbraw/zinc/97/34/12/1193973412.db2.gz ONJFGMUUYLREJQ-HZPDHXFCSA-N 0 3 380.537 0.662 20 0 GCADHN CC(C)CN(C(=O)CNC[C@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CC1 ZINC001268696438 1193973558 /nfs/dbraw/zinc/97/35/58/1193973558.db2.gz OFQULIUIZUQIHX-RIVXBTQJSA-N 0 3 381.517 0.779 20 0 GCADHN CS[C@H]1CN(C(=O)c2cn(Cc3noc(C)n3)nn2)C[C@H]1N1CCCC1 ZINC000280274199 1193984580 /nfs/dbraw/zinc/98/45/80/1193984580.db2.gz OSYIPYSWSGXUQH-KGLIPLIRSA-N 0 3 377.474 0.670 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NCC(=O)NCC(F)F)cc2)CC1 ZINC000280373427 1193989788 /nfs/dbraw/zinc/98/97/88/1193989788.db2.gz KPARIEXSXGHRPL-UHFFFAOYSA-N 0 3 383.443 0.615 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(F)cc(C(=O)OC)c2F)CC1 ZINC000280390488 1193991921 /nfs/dbraw/zinc/99/19/21/1193991921.db2.gz QJOLYCFVTKQIOI-UHFFFAOYSA-N 0 3 399.394 0.917 20 0 GCADHN CC(C)c1nn(C)cc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000280409691 1193993401 /nfs/dbraw/zinc/99/34/01/1193993401.db2.gz RZDHHJNCXVPNJF-OAHLLOKOSA-N 0 3 392.504 0.541 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cn(C)nc2C(C)C)CC1 ZINC000280466614 1193997872 /nfs/dbraw/zinc/99/78/72/1193997872.db2.gz XYQSMVJIFCKRTN-UHFFFAOYSA-N 0 3 392.504 0.495 20 0 GCADHN CNC(=O)[C@]1(C)CCN([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000280528771 1194001699 /nfs/dbraw/zinc/00/16/99/1194001699.db2.gz CTYLTJNLZGTIOJ-CWTRNNRKSA-N 0 3 390.440 0.952 20 0 GCADHN CNC(=O)[C@@]1(C)CCN([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000280528765 1194001786 /nfs/dbraw/zinc/00/17/86/1194001786.db2.gz CTYLTJNLZGTIOJ-BUXKBTBVSA-N 0 3 390.440 0.952 20 0 GCADHN OCCN1CCN(CCCCNc2cc(N3CCCC[C@@H]3CO)ncn2)CC1 ZINC000434105490 1194015009 /nfs/dbraw/zinc/01/50/09/1194015009.db2.gz ZRNZDHRLBYNDLK-GOSISDBHSA-N 0 3 392.548 0.630 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCCNCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000419423771 1194024225 /nfs/dbraw/zinc/02/42/25/1194024225.db2.gz YZZLDLHJBIVNSW-OALUTQOASA-N 0 3 388.512 0.604 20 0 GCADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000419438802 1194034780 /nfs/dbraw/zinc/03/47/80/1194034780.db2.gz IJIRKWRDIJTHTC-LJISPDSOSA-N 0 3 382.505 0.415 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000419440874 1194035343 /nfs/dbraw/zinc/03/53/43/1194035343.db2.gz IZSMTTNRVNYIIQ-CYBMUJFWSA-N 0 3 381.423 0.997 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000419445561 1194035954 /nfs/dbraw/zinc/03/59/54/1194035954.db2.gz UVHPFGWOSFSHLC-YOEHRIQHSA-N 0 3 385.468 0.760 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)CC1CCCCC1 ZINC000419449536 1194037245 /nfs/dbraw/zinc/03/72/45/1194037245.db2.gz YAZMDMHUFLZFQG-HIFRSBDPSA-N 0 3 382.505 0.418 20 0 GCADHN COc1cccc(COCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419471883 1194038995 /nfs/dbraw/zinc/03/89/95/1194038995.db2.gz GKPYHAGMNHLCGB-BBRMVZONSA-N 0 3 379.457 0.557 20 0 GCADHN CN1C(=O)C[C@H](NC(=O)C(=O)N2CCCNCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000419499405 1194046119 /nfs/dbraw/zinc/04/61/19/1194046119.db2.gz XYIBDPJBLCQTNB-GOEBONIOSA-N 0 3 396.850 0.689 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(-c2cnn(C)c2)c1 ZINC000419509397 1194048607 /nfs/dbraw/zinc/04/86/07/1194048607.db2.gz AFWZDQDVXJIYHW-SUMWQHHRSA-N 0 3 385.468 0.933 20 0 GCADHN CCS(=O)(=O)NCCNC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419517009 1194052263 /nfs/dbraw/zinc/05/22/63/1194052263.db2.gz VSGYSHRHCGRFIF-INIZCTEOSA-N 0 3 392.481 0.011 20 0 GCADHN COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C2 ZINC000419538609 1194055461 /nfs/dbraw/zinc/05/54/61/1194055461.db2.gz AEEHAHHCQNPFDQ-KYOSRNDESA-N 0 3 377.441 0.344 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000419540900 1194055590 /nfs/dbraw/zinc/05/55/90/1194055590.db2.gz HPLMXAOELGJKBU-XJKSGUPXSA-N 0 3 390.484 0.276 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C12CCC2 ZINC000419538836 1194055972 /nfs/dbraw/zinc/05/59/72/1194055972.db2.gz FMHDHSAGMZTVQR-HRCADAONSA-N 0 3 390.488 0.364 20 0 GCADHN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)C(=O)N1CCCNCC1 ZINC000419542995 1194056413 /nfs/dbraw/zinc/05/64/13/1194056413.db2.gz JTQVDQYPRCAOLZ-AWEZNQCLSA-N 0 3 378.860 0.774 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000419550510 1194058240 /nfs/dbraw/zinc/05/82/40/1194058240.db2.gz UUGAFYFALQRTCK-OCCSQVGLSA-N 0 3 394.859 0.056 20 0 GCADHN C[C@@H](CO)N1CCCN(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC1 ZINC000501109419 1194058766 /nfs/dbraw/zinc/05/87/66/1194058766.db2.gz SWXYNENAHPGSRK-AWEZNQCLSA-N 0 3 391.472 0.164 20 0 GCADHN CN1C(=O)C[C@@H](NC(=O)C(=O)N2CCCNCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000419555811 1194058819 /nfs/dbraw/zinc/05/88/19/1194058819.db2.gz BCPRCKFNQUARSC-ZBFHGGJFSA-N 0 3 378.860 0.550 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(=O)N1c1ccccc1 ZINC000664233379 1194063342 /nfs/dbraw/zinc/06/33/42/1194063342.db2.gz MXQLMBCONDWVND-NVXWUHKLSA-N 0 3 389.500 0.842 20 0 GCADHN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@@H](CN)c1ccc3ccccc3c1)CC2 ZINC000419573982 1194064262 /nfs/dbraw/zinc/06/42/62/1194064262.db2.gz BNZVPVLVWGRGOX-ROUUACIJSA-N 0 3 392.463 0.987 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)ccc1OC ZINC000419595844 1194067902 /nfs/dbraw/zinc/06/79/02/1194067902.db2.gz MKRWHVZIKSZNAY-RISCZKNCSA-N 0 3 393.440 0.327 20 0 GCADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419612660 1194073428 /nfs/dbraw/zinc/07/34/28/1194073428.db2.gz MJQSAAFJGWITGT-RDBSUJKOSA-N 0 3 379.457 0.808 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000419655768 1194073984 /nfs/dbraw/zinc/07/39/84/1194073984.db2.gz SVEYCGDOORYUAL-TUAOUCFPSA-N 0 3 380.411 0.216 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000419640517 1194075088 /nfs/dbraw/zinc/07/50/88/1194075088.db2.gz KMZCDBRIOMOVKX-WMLDXEAASA-N 0 3 385.468 0.777 20 0 GCADHN CCc1ccc(CNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)s1 ZINC000419651347 1194076959 /nfs/dbraw/zinc/07/69/59/1194076959.db2.gz PDPCPHZGSGMIBB-ZDUSSCGKSA-N 0 3 376.486 0.841 20 0 GCADHN COCCSc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000419667118 1194078194 /nfs/dbraw/zinc/07/81/94/1194078194.db2.gz WWEINOSKEOXWQO-DZGCQCFKSA-N 0 3 381.498 0.707 20 0 GCADHN COCCSc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419667122 1194078227 /nfs/dbraw/zinc/07/82/27/1194078227.db2.gz WWEINOSKEOXWQO-ZFWWWQNUSA-N 0 3 381.498 0.707 20 0 GCADHN N[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)C[C@H]1c1cccc(F)c1 ZINC000419674676 1194079894 /nfs/dbraw/zinc/07/98/94/1194079894.db2.gz KGVNWZBIOMFIDY-OWCLPIDISA-N 0 3 397.472 0.162 20 0 GCADHN O=C(NCc1nc(C(F)(F)F)n[n-]1)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000419704006 1194082586 /nfs/dbraw/zinc/08/25/86/1194082586.db2.gz GRQZKBKSHBJRCV-WDEREUQCSA-N 0 3 388.394 0.820 20 0 GCADHN COc1ccc(OC)c(CCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419697905 1194087656 /nfs/dbraw/zinc/08/76/56/1194087656.db2.gz OYYZEDUWOHCVLQ-XJKSGUPXSA-N 0 3 393.484 0.982 20 0 GCADHN O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)C(=O)N1CCCNCC1 ZINC000419717875 1194091621 /nfs/dbraw/zinc/09/16/21/1194091621.db2.gz CHUUAHOLXKZCPA-UHFFFAOYSA-N 0 3 380.439 0.867 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCCN1CCc2ccccc2C1=O)c1ccccc1 ZINC000419718042 1194091638 /nfs/dbraw/zinc/09/16/38/1194091638.db2.gz AKSFJFJOXAKUFX-SFHVURJKSA-N 0 3 380.448 0.617 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCOc3cccc(F)c3)C2)nn1 ZINC000419742386 1194094622 /nfs/dbraw/zinc/09/46/22/1194094622.db2.gz NNJKQCGJPAEKPB-HNNXBMFYSA-N 0 3 390.419 0.235 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000419752161 1194096727 /nfs/dbraw/zinc/09/67/27/1194096727.db2.gz LNRBQMWTAUVKHJ-ZDUSSCGKSA-N 0 3 383.514 0.680 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCC2(N3CCOCC3)CC2)cc1 ZINC000419754856 1194097870 /nfs/dbraw/zinc/09/78/70/1194097870.db2.gz BDESYAZJNSQXCN-GOSISDBHSA-N 0 3 388.512 0.907 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)N(C)C ZINC000501260512 1194098019 /nfs/dbraw/zinc/09/80/19/1194098019.db2.gz KIHGDFHIGBRVHL-CYBMUJFWSA-N 0 3 375.473 0.393 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCc3cccc(Cl)c3)C2)nn1 ZINC000419776800 1194103947 /nfs/dbraw/zinc/10/39/47/1194103947.db2.gz KBLRWUGBXHCJCL-HNNXBMFYSA-N 0 3 376.848 0.870 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCc3cccc(Cl)c3)C2)nn1 ZINC000419776801 1194104241 /nfs/dbraw/zinc/10/42/41/1194104241.db2.gz KBLRWUGBXHCJCL-OAHLLOKOSA-N 0 3 376.848 0.870 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000501280382 1194104518 /nfs/dbraw/zinc/10/45/18/1194104518.db2.gz HFGSMDFGZQMVAC-CQSZACIVSA-N 0 3 396.513 0.219 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CC1 ZINC000419794100 1194104685 /nfs/dbraw/zinc/10/46/85/1194104685.db2.gz DORPJDKBRGKTAQ-UHFFFAOYSA-N 0 3 384.436 0.842 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC1 ZINC000419797670 1194105679 /nfs/dbraw/zinc/10/56/79/1194105679.db2.gz USCNAQLBWSIDKZ-UHFFFAOYSA-N 0 3 376.848 1.129 20 0 GCADHN CCOc1ccc(CCNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OCC ZINC000419789232 1194108428 /nfs/dbraw/zinc/10/84/28/1194108428.db2.gz ASZQRECGJUILOV-HNNXBMFYSA-N 0 3 379.457 0.247 20 0 GCADHN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)C(=O)N1CCCNCC1 ZINC000419789748 1194108759 /nfs/dbraw/zinc/10/87/59/1194108759.db2.gz UFQZETBXWGDTSU-XLIONFOSSA-N 0 3 377.460 0.838 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)CC1 ZINC000419813091 1194113194 /nfs/dbraw/zinc/11/31/94/1194113194.db2.gz JPWOGWWJZCVVST-UHFFFAOYSA-N 0 3 394.497 0.524 20 0 GCADHN O=C(NCc1ccc(COc2ccccc2)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419830417 1194116112 /nfs/dbraw/zinc/11/61/12/1194116112.db2.gz WBQGJSMITAVSRL-IBGZPJMESA-N 0 3 383.448 0.986 20 0 GCADHN CCOc1cccc(N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)n1 ZINC000419902683 1194137351 /nfs/dbraw/zinc/13/73/51/1194137351.db2.gz AAOQJOPLQLQRGJ-KRWDZBQOSA-N 0 3 397.479 0.945 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)c1ccccc1 ZINC000419914379 1194138068 /nfs/dbraw/zinc/13/80/68/1194138068.db2.gz BUXMXZNPKIXLPO-CHWSQXEVSA-N 0 3 386.374 0.330 20 0 GCADHN CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)C2)n1 ZINC000419916605 1194138570 /nfs/dbraw/zinc/13/85/70/1194138570.db2.gz FICUPTTZJVNTHW-LSDHHAIUSA-N 0 3 386.456 0.658 20 0 GCADHN CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)C2)n1 ZINC000419916602 1194138667 /nfs/dbraw/zinc/13/86/67/1194138667.db2.gz FICUPTTZJVNTHW-CABCVRRESA-N 0 3 386.456 0.658 20 0 GCADHN NC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)cc1 ZINC000419936159 1194145062 /nfs/dbraw/zinc/14/50/62/1194145062.db2.gz UAFIOQBPERIVRB-GOSISDBHSA-N 0 3 395.463 0.250 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)n1 ZINC000419935444 1194145400 /nfs/dbraw/zinc/14/54/00/1194145400.db2.gz RZHKIGGCFUYDKL-QGZVFWFLSA-N 0 3 382.468 0.558 20 0 GCADHN C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000419944987 1194146902 /nfs/dbraw/zinc/14/69/02/1194146902.db2.gz BUJQOGCZEGMJMP-LLVKDONJSA-N 0 3 396.875 0.934 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000420022973 1194158239 /nfs/dbraw/zinc/15/82/39/1194158239.db2.gz AHGVADHYHGWSSF-JSGCOSHPSA-N 0 3 379.436 0.099 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000420024661 1194159090 /nfs/dbraw/zinc/15/90/90/1194159090.db2.gz BJEVKDWIBBSCEQ-IACUBPJLSA-N 0 3 391.472 0.882 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000420029992 1194160120 /nfs/dbraw/zinc/16/01/20/1194160120.db2.gz GCLIUZNPKTUHOV-BBRMVZONSA-N 0 3 398.467 0.558 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000420032346 1194161094 /nfs/dbraw/zinc/16/10/94/1194161094.db2.gz HWIHTEOVRLKCNR-SOUVJXGZSA-N 0 3 377.489 0.430 20 0 GCADHN CCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420055818 1194163059 /nfs/dbraw/zinc/16/30/59/1194163059.db2.gz ICXIVAHNARNCCK-UKRRQHHQSA-N 0 3 382.505 0.371 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420055753 1194163341 /nfs/dbraw/zinc/16/33/41/1194163341.db2.gz HZCIKTWKBZAVJM-BIENJYKASA-N 0 3 399.488 0.034 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCCN(c2nccs2)CC1 ZINC000420058591 1194163678 /nfs/dbraw/zinc/16/36/78/1194163678.db2.gz JYRRMQKYKZWTTN-STQMWFEESA-N 0 3 381.502 0.411 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCCN(c2nccs2)CC1 ZINC000420058580 1194163943 /nfs/dbraw/zinc/16/39/43/1194163943.db2.gz JYRRMQKYKZWTTN-OLZOCXBDSA-N 0 3 381.502 0.411 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCC[C@@H](OCCO)C1)c1ccc2ccccc2c1 ZINC000420058054 1194163997 /nfs/dbraw/zinc/16/39/97/1194163997.db2.gz NVZDEVDFGHYTGF-RTBURBONSA-N 0 3 385.464 0.956 20 0 GCADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000420059153 1194164003 /nfs/dbraw/zinc/16/40/03/1194164003.db2.gz OSTNVPPPYGYYBY-RTBURBONSA-N 0 3 398.463 0.319 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCC[C@@H](OCCO)C1)c1ccc2ccccc2c1 ZINC000420058047 1194164016 /nfs/dbraw/zinc/16/40/16/1194164016.db2.gz NVZDEVDFGHYTGF-MOPGFXCFSA-N 0 3 385.464 0.956 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000420060769 1194164409 /nfs/dbraw/zinc/16/44/09/1194164409.db2.gz QLFARGBEALDVNY-OALUTQOASA-N 0 3 382.464 0.499 20 0 GCADHN CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420039386 1194165711 /nfs/dbraw/zinc/16/57/11/1194165711.db2.gz NWKRVGCSQCNNSF-RRFJBIMHSA-N 0 3 382.505 0.371 20 0 GCADHN COc1ccccc1N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420039882 1194166071 /nfs/dbraw/zinc/16/60/71/1194166071.db2.gz OJOILDRVQOVKRX-CABCVRRESA-N 0 3 390.484 0.573 20 0 GCADHN COc1cccc([C@@H]2C[C@H](O)CN2C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000420039790 1194166148 /nfs/dbraw/zinc/16/61/48/1194166148.db2.gz ODSBTEAEMSSFDC-UOJCXKCYSA-N 0 3 391.468 0.559 20 0 GCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c(OC)c1 ZINC000420038935 1194166389 /nfs/dbraw/zinc/16/63/89/1194166389.db2.gz NJVKOWQTGOHWHB-IUODEOHRSA-N 0 3 379.457 0.891 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000420040296 1194166402 /nfs/dbraw/zinc/16/64/02/1194166402.db2.gz OVEHYBBZZQSEDC-PBHICJAKSA-N 0 3 397.479 0.986 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CCN1CC(F)F ZINC000420042382 1194166751 /nfs/dbraw/zinc/16/67/51/1194166751.db2.gz QMRZNWHSVBBPCL-JHJVBQTASA-N 0 3 376.448 0.404 20 0 GCADHN Cc1csc([C@@H]2COCCN2C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)n1 ZINC000420040950 1194166846 /nfs/dbraw/zinc/16/68/46/1194166846.db2.gz PMTILQTYECLERH-XQQFMLRXSA-N 0 3 382.486 0.581 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cccc(F)c2F)CC1 ZINC000420042067 1194166960 /nfs/dbraw/zinc/16/69/60/1194166960.db2.gz QHLWOMYKEIVDJO-JSGCOSHPSA-N 0 3 396.438 0.843 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000420041980 1194167017 /nfs/dbraw/zinc/16/70/17/1194167017.db2.gz QFJIYAMKWXGGDT-ZBFHGGJFSA-N 0 3 394.541 0.664 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000420043380 1194167391 /nfs/dbraw/zinc/16/73/91/1194167391.db2.gz RVEAKGYBBLWPFV-WOPDTQHZSA-N 0 3 380.411 0.311 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000420044519 1194167651 /nfs/dbraw/zinc/16/76/51/1194167651.db2.gz TZRSAPIRVMJXOB-XYJFISCASA-N 0 3 388.512 0.949 20 0 GCADHN Cc1ccccc1CN1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420046168 1194168298 /nfs/dbraw/zinc/16/82/98/1194168298.db2.gz VKOZOAVZNJYNDX-AEFFLSMTSA-N 0 3 388.512 0.868 20 0 GCADHN COc1cc2c(cc1OC)CN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000420044808 1194168304 /nfs/dbraw/zinc/16/83/04/1194168304.db2.gz UFADIEAGPRNPFF-WFASDCNBSA-N 0 3 391.468 0.818 20 0 GCADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000420048095 1194168845 /nfs/dbraw/zinc/16/88/45/1194168845.db2.gz DQLMPKQAICKJNZ-MSOLQXFVSA-N 0 3 399.447 0.746 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000420048967 1194169484 /nfs/dbraw/zinc/16/94/84/1194169484.db2.gz XTXKBXBOWUNVGO-NNYUYHANSA-N 0 3 381.395 0.377 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)c1ccc2ccccc2c1 ZINC000420048786 1194169527 /nfs/dbraw/zinc/16/95/27/1194169527.db2.gz FKCDFAAJKVWTME-KDOFPFPSSA-N 0 3 397.479 0.863 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)c1ccc2ccccc2c1 ZINC000420048787 1194169712 /nfs/dbraw/zinc/16/97/12/1194169712.db2.gz FKCDFAAJKVWTME-KSSFIOAISA-N 0 3 397.479 0.863 20 0 GCADHN COc1c(C)cnc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1C ZINC000420054488 1194170073 /nfs/dbraw/zinc/17/00/73/1194170073.db2.gz HEMPJURUOFMSHH-KGLIPLIRSA-N 0 3 378.473 0.895 20 0 GCADHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420067979 1194171556 /nfs/dbraw/zinc/17/15/56/1194171556.db2.gz SMYOSXYQMQAPFM-CKFHNAJUSA-N 0 3 383.489 0.653 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000420074723 1194173103 /nfs/dbraw/zinc/17/31/03/1194173103.db2.gz ISNUVJUTHCLXGR-UWJYYQICSA-N 0 3 382.464 0.940 20 0 GCADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000420074720 1194173185 /nfs/dbraw/zinc/17/31/85/1194173185.db2.gz ISNUVJUTHCLXGR-DYESRHJHSA-N 0 3 382.464 0.940 20 0 GCADHN CC1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC[NH2+]CC1 ZINC000420080388 1194173849 /nfs/dbraw/zinc/17/38/49/1194173849.db2.gz GRUBPAXVOUFVGN-UHFFFAOYSA-N 0 3 388.468 0.183 20 0 GCADHN COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)CC2 ZINC000420065699 1194176113 /nfs/dbraw/zinc/17/61/13/1194176113.db2.gz PUUFRPKBEOQSAY-WBMJQRKESA-N 0 3 389.452 0.587 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)cs1 ZINC000420065730 1194176428 /nfs/dbraw/zinc/17/64/28/1194176428.db2.gz PXSSKIHWUPWEGE-SWLSCSKDSA-N 0 3 395.529 0.325 20 0 GCADHN CCO[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000982929915 1194201793 /nfs/dbraw/zinc/20/17/93/1194201793.db2.gz HJMAJHDIKNCBMG-YFHUEUNASA-N 0 3 389.500 0.589 20 0 GCADHN CCO[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000982929915 1194201797 /nfs/dbraw/zinc/20/17/97/1194201797.db2.gz HJMAJHDIKNCBMG-YFHUEUNASA-N 0 3 389.500 0.589 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000420199018 1194203005 /nfs/dbraw/zinc/20/30/05/1194203005.db2.gz MZAYZFQPRAXHEV-MRXNPFEDSA-N 0 3 377.416 0.352 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000420199008 1194203180 /nfs/dbraw/zinc/20/31/80/1194203180.db2.gz MYUKJNGGQBOCEN-LSDHHAIUSA-N 0 3 375.425 0.226 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000420202437 1194203679 /nfs/dbraw/zinc/20/36/79/1194203679.db2.gz PSKWCEFQQXZRLX-KRWDZBQOSA-N 0 3 394.903 0.479 20 0 GCADHN COc1cccc([C@@H](C)N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000420202069 1194203715 /nfs/dbraw/zinc/20/37/15/1194203715.db2.gz PBQSWEYZTOMDGS-CRAIPNDOSA-N 0 3 390.484 0.005 20 0 GCADHN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420201785 1194204141 /nfs/dbraw/zinc/20/41/41/1194204141.db2.gz OTAHETHZWNWUKO-HOTGVXAUSA-N 0 3 385.468 0.440 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000420189858 1194206331 /nfs/dbraw/zinc/20/63/31/1194206331.db2.gz FEUGGXKWVJFJJM-ZBFHGGJFSA-N 0 3 377.416 0.352 20 0 GCADHN Cc1nc2ccccc2n1C1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420188790 1194206782 /nfs/dbraw/zinc/20/67/82/1194206782.db2.gz CWOGGCGYXZKNDO-INIZCTEOSA-N 0 3 385.468 0.613 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000420191762 1194207728 /nfs/dbraw/zinc/20/77/28/1194207728.db2.gz HNHVFYAMBFTWFY-HZPDHXFCSA-N 0 3 399.451 0.895 20 0 GCADHN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000420193507 1194208128 /nfs/dbraw/zinc/20/81/28/1194208128.db2.gz CKGXPVLQYITLFR-RTBURBONSA-N 0 3 389.496 0.650 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000420194301 1194208280 /nfs/dbraw/zinc/20/82/80/1194208280.db2.gz JRPFFPGMOGIDQY-ROUUACIJSA-N 0 3 375.469 0.341 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCN1Cc1ccccc1 ZINC000420194304 1194208421 /nfs/dbraw/zinc/20/84/21/1194208421.db2.gz JRTSRYMVSDUAPW-OALUTQOASA-N 0 3 388.512 0.604 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000420194675 1194208539 /nfs/dbraw/zinc/20/85/39/1194208539.db2.gz FTHPKAZNNWCLFW-LBPRGKRZSA-N 0 3 376.844 0.811 20 0 GCADHN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420207751 1194211429 /nfs/dbraw/zinc/21/14/29/1194211429.db2.gz XKQZKMRWAWTCHQ-QGZVFWFLSA-N 0 3 385.468 0.572 20 0 GCADHN CN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000420209145 1194211455 /nfs/dbraw/zinc/21/14/55/1194211455.db2.gz VIVBXXIGBXUKAI-SWLSCSKDSA-N 0 3 394.859 0.008 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000420209250 1194212168 /nfs/dbraw/zinc/21/21/68/1194212168.db2.gz VNDMEJGEZVLQJW-CYBMUJFWSA-N 0 3 384.839 0.232 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000420209858 1194212344 /nfs/dbraw/zinc/21/23/44/1194212344.db2.gz VUACZCNXKAWRBO-VXGBXAGGSA-N 0 3 389.378 0.170 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000420211438 1194212716 /nfs/dbraw/zinc/21/27/16/1194212716.db2.gz XCZYWRXIONAKBM-ZDUSSCGKSA-N 0 3 398.866 0.228 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000420210989 1194213097 /nfs/dbraw/zinc/21/30/97/1194213097.db2.gz WSERYZOTDAQXDG-HNNXBMFYSA-N 0 3 376.844 0.742 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000420214577 1194213240 /nfs/dbraw/zinc/21/32/40/1194213240.db2.gz ZLZCHZJNYNNHBX-IRXDYDNUSA-N 0 3 379.432 0.438 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000420213061 1194213378 /nfs/dbraw/zinc/21/33/78/1194213378.db2.gz YGGOLQLUHIIIJU-SFHVURJKSA-N 0 3 375.469 0.341 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000420213685 1194213583 /nfs/dbraw/zinc/21/35/83/1194213583.db2.gz YXUDUZVGAKFYFR-LSDHHAIUSA-N 0 3 399.394 0.293 20 0 GCADHN COc1ccc(NC(=O)NC(=O)CN2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000420390216 1194226723 /nfs/dbraw/zinc/22/67/23/1194226723.db2.gz ZARDKNMVWYZCEX-OAHLLOKOSA-N 0 3 387.444 0.731 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](n3cc(CN)nn3)C2)ccc1C ZINC000420473152 1194230625 /nfs/dbraw/zinc/23/06/25/1194230625.db2.gz DARFEPNYTLVSRG-AWEZNQCLSA-N 0 3 393.469 0.858 20 0 GCADHN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617978558 1194253877 /nfs/dbraw/zinc/25/38/77/1194253877.db2.gz HLMFBORFIMYOHL-QGZVFWFLSA-N 0 3 380.514 0.834 20 0 GCADHN CO[C@H](CC(C)C)CS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000420762687 1194263528 /nfs/dbraw/zinc/26/35/28/1194263528.db2.gz ZRESYIDELDTSGK-QGZVFWFLSA-N 0 3 391.578 0.764 20 0 GCADHN CCCN1C[C@@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1=O ZINC000420816856 1194267138 /nfs/dbraw/zinc/26/71/38/1194267138.db2.gz ZAQCKZNJNKIONI-CVEARBPZSA-N 0 3 381.521 0.487 20 0 GCADHN CON1CCC(N(C)C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000420861369 1194267734 /nfs/dbraw/zinc/26/77/34/1194267734.db2.gz JUIHSTATPUOFNY-SFHVURJKSA-N 0 3 376.501 0.760 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000420918426 1194274967 /nfs/dbraw/zinc/27/49/67/1194274967.db2.gz WDOQLGKNWSGHGS-IBGZPJMESA-N 0 3 388.512 0.688 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)CCCN1C ZINC000502157803 1194276475 /nfs/dbraw/zinc/27/64/75/1194276475.db2.gz DYMASVXLPGATBR-PMPSAXMXSA-N 0 3 384.521 0.763 20 0 GCADHN COc1cc(CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc(OC)c1OC ZINC000420946764 1194277186 /nfs/dbraw/zinc/27/71/86/1194277186.db2.gz OBIDSUXTQWLHHD-CQSZACIVSA-N 0 3 379.457 0.881 20 0 GCADHN CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC000983004124 1194277390 /nfs/dbraw/zinc/27/73/90/1194277390.db2.gz SXBHQTXWGSQZHK-VQHPVUNQSA-N 0 3 381.517 0.875 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)o1 ZINC000502228291 1194283145 /nfs/dbraw/zinc/28/31/45/1194283145.db2.gz CMCONWBHYNWBGF-IRXDYDNUSA-N 0 3 390.484 0.748 20 0 GCADHN CN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)C[C@@H]1CCCN1C ZINC000421016105 1194284473 /nfs/dbraw/zinc/28/44/73/1194284473.db2.gz XUVPMYYKTACONB-INIZCTEOSA-N 0 3 399.495 0.386 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@H](CCO)CC2)cc1 ZINC000421022953 1194286265 /nfs/dbraw/zinc/28/62/65/1194286265.db2.gz VKZVFDMYDKGXAZ-HNNXBMFYSA-N 0 3 383.514 0.477 20 0 GCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502263478 1194286781 /nfs/dbraw/zinc/28/67/81/1194286781.db2.gz AFPMLYRMODVFHB-BPQIPLTHSA-N 0 3 386.496 0.893 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@H](CO)[C@H](O)C1)c1cccc(OC)c1 ZINC000421064817 1194290475 /nfs/dbraw/zinc/29/04/75/1194290475.db2.gz PMCZQNYCTMWIPJ-KBAYOESNSA-N 0 3 393.484 0.006 20 0 GCADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000502286902 1194291971 /nfs/dbraw/zinc/29/19/71/1194291971.db2.gz GMNCEQRJYHYHNV-ZWKOTPCHSA-N 0 3 389.496 0.512 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000421133315 1194298705 /nfs/dbraw/zinc/29/87/05/1194298705.db2.gz VNJQMQHKIUAVOA-BRWVUGGUSA-N 0 3 382.549 0.932 20 0 GCADHN CC(C)[C@H](CO)CNC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000509539339 1194301426 /nfs/dbraw/zinc/30/14/26/1194301426.db2.gz ISUUDAGCZVBMGD-AWEZNQCLSA-N 0 3 378.473 0.874 20 0 GCADHN C[C@@H]1CC[C@H](O)CN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000421266435 1194317773 /nfs/dbraw/zinc/31/77/73/1194317773.db2.gz ARLWNFFKUYYLGP-HIFRSBDPSA-N 0 3 376.457 0.865 20 0 GCADHN C[C@@H]1CC[C@@H](O)CN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000421266436 1194317930 /nfs/dbraw/zinc/31/79/30/1194317930.db2.gz ARLWNFFKUYYLGP-UKRRQHHQSA-N 0 3 376.457 0.865 20 0 GCADHN C[C@H]1CC[C@@H](O)CN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000421266434 1194317958 /nfs/dbraw/zinc/31/79/58/1194317958.db2.gz ARLWNFFKUYYLGP-DZGCQCFKSA-N 0 3 376.457 0.865 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1F ZINC000421280736 1194320534 /nfs/dbraw/zinc/32/05/34/1194320534.db2.gz WXOWKZWLNPSATP-HNNXBMFYSA-N 0 3 378.448 0.533 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)ccc1F ZINC000421305149 1194321885 /nfs/dbraw/zinc/32/18/85/1194321885.db2.gz USZAQFMQFLKBSZ-CYBMUJFWSA-N 0 3 375.408 0.601 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1C ZINC000421308421 1194322358 /nfs/dbraw/zinc/32/23/58/1194322358.db2.gz YIOJCWLWGQVVCC-CYBMUJFWSA-N 0 3 382.486 0.394 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c(OC)c(OC)c1 ZINC000421292889 1194324235 /nfs/dbraw/zinc/32/42/35/1194324235.db2.gz CIKUCROCWCPBGE-ZDUSSCGKSA-N 0 3 393.440 0.982 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421293795 1194324263 /nfs/dbraw/zinc/32/42/63/1194324263.db2.gz FACNTLQLVZEBJG-ZDUSSCGKSA-N 0 3 382.486 0.394 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000421407364 1194337053 /nfs/dbraw/zinc/33/70/53/1194337053.db2.gz LJEGSPAWDOLDCA-QGZVFWFLSA-N 0 3 388.516 0.002 20 0 GCADHN CS(=O)(=O)[N-]c1cncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000502624932 1194340516 /nfs/dbraw/zinc/34/05/16/1194340516.db2.gz FHFLVOOONOWCOK-DLBZAZTESA-N 0 3 396.513 0.951 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)NCCN2CCC(C)CC2)cn1 ZINC000421523715 1194344160 /nfs/dbraw/zinc/34/41/60/1194344160.db2.gz UEEGMYMQNCFFRB-FUHWJXTLSA-N 0 3 391.516 0.945 20 0 GCADHN COC[C@]1(CO)CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000421531183 1194345769 /nfs/dbraw/zinc/34/57/69/1194345769.db2.gz NZZTWOBRMWRQKY-OAQYLSRUSA-N 0 3 389.496 0.408 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000421562410 1194347247 /nfs/dbraw/zinc/34/72/47/1194347247.db2.gz VILADMOXWRLBSB-HNNXBMFYSA-N 0 3 396.513 0.152 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000502747335 1194353482 /nfs/dbraw/zinc/35/34/82/1194353482.db2.gz DTGJJRNUTJZVRY-MRXNPFEDSA-N 0 3 395.548 0.877 20 0 GCADHN CCN(CC(=O)NCc1cccs1)C(=O)CN[C@@H]1CCC[C@@H]1C(=O)NC ZINC000502841704 1194359946 /nfs/dbraw/zinc/35/99/46/1194359946.db2.gz LNSRVKBOPOERPJ-LSDHHAIUSA-N 0 3 380.514 0.717 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000502842145 1194361802 /nfs/dbraw/zinc/36/18/02/1194361802.db2.gz QAOSBKGEJLYSBD-OCCSQVGLSA-N 0 3 375.408 0.553 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000502842146 1194361894 /nfs/dbraw/zinc/36/18/94/1194361894.db2.gz QAOSBKGEJLYSBD-TZMCWYRMSA-N 0 3 375.408 0.553 20 0 GCADHN COc1ccc(C(=O)NCC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1OC ZINC000270720490 1194363339 /nfs/dbraw/zinc/36/33/39/1194363339.db2.gz HWIZEXHNHICROE-BBRMVZONSA-N 0 3 381.498 0.938 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N(C)CC(=O)Nc1cccc(OC)c1 ZINC000502858624 1194363565 /nfs/dbraw/zinc/36/35/65/1194363565.db2.gz SPUKNIHRPXLIIV-JKSUJKDBSA-N 0 3 376.457 0.596 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000513758035 1194364433 /nfs/dbraw/zinc/36/44/33/1194364433.db2.gz VSKZEZQAYHZPKL-UHFFFAOYSA-N 0 3 391.476 0.323 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)O2)C[C@H](C)N1C ZINC000329339781 1194381003 /nfs/dbraw/zinc/38/10/03/1194381003.db2.gz NXJRCFFJHBOYKG-COYYTBTLSA-N 0 3 380.533 0.636 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422101656 1194385780 /nfs/dbraw/zinc/38/57/80/1194385780.db2.gz FROLHKSGHDXQAM-INIZCTEOSA-N 0 3 379.505 0.565 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000422103690 1194386312 /nfs/dbraw/zinc/38/63/12/1194386312.db2.gz HULPURWXEMHGCQ-OAHLLOKOSA-N 0 3 383.514 0.637 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000422089912 1194388857 /nfs/dbraw/zinc/38/88/57/1194388857.db2.gz AMDWUJDJPXHSIF-HNNXBMFYSA-N 0 3 378.498 0.585 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000422108995 1194391308 /nfs/dbraw/zinc/39/13/08/1194391308.db2.gz VFEVXDGSXXSVKM-HNNXBMFYSA-N 0 3 379.892 0.936 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000422108573 1194391552 /nfs/dbraw/zinc/39/15/52/1194391552.db2.gz XTWYTHRLYSUUNP-KBPBESRZSA-N 0 3 378.439 0.928 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000422118908 1194395119 /nfs/dbraw/zinc/39/51/19/1194395119.db2.gz RIOQCVASRNRMAV-QRWLVFNGSA-N 0 3 396.532 0.461 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)oc1C ZINC000422134007 1194397167 /nfs/dbraw/zinc/39/71/67/1194397167.db2.gz JDVBQLJHVPPZNC-MRXNPFEDSA-N 0 3 377.489 0.488 20 0 GCADHN COc1ccccc1CN1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422134967 1194397218 /nfs/dbraw/zinc/39/72/18/1194397218.db2.gz JVUZPETVYFVDRV-GOSISDBHSA-N 0 3 388.512 0.892 20 0 GCADHN CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422140088 1194398064 /nfs/dbraw/zinc/39/80/64/1194398064.db2.gz OBLWTNHXYPOFGX-QZTJIDSGSA-N 0 3 377.485 0.575 20 0 GCADHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000422140119 1194398413 /nfs/dbraw/zinc/39/84/13/1194398413.db2.gz OEQCTTCZZGXIOP-QGZVFWFLSA-N 0 3 378.448 0.453 20 0 GCADHN CC(C)N(C[C@@H](O)CO)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000422140796 1194398850 /nfs/dbraw/zinc/39/88/50/1194398850.db2.gz CWYWUQQZTVSIMM-HXUWFJFHSA-N 0 3 392.544 0.968 20 0 GCADHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000422144018 1194398994 /nfs/dbraw/zinc/39/89/94/1194398994.db2.gz RZZYEXIGVMLGBU-MRXNPFEDSA-N 0 3 396.438 0.592 20 0 GCADHN COc1ccc(CN(CCO)C(=O)C(=O)N(C)C[C@H]2CCCN2C)c(OC)c1 ZINC000422145538 1194399727 /nfs/dbraw/zinc/39/97/27/1194399727.db2.gz UUEKOTLLSUEENA-MRXNPFEDSA-N 0 3 393.484 0.577 20 0 GCADHN CC(=O)N[C@](C)(C(=O)N(C)[C@H]1CCCN(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000280768727 1194402183 /nfs/dbraw/zinc/40/21/83/1194402183.db2.gz IVWXJPOGUQRNEZ-LPHOPBHVSA-N 0 3 395.525 0.994 20 0 GCADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCC(N)=O ZINC000271705031 1194405595 /nfs/dbraw/zinc/40/55/95/1194405595.db2.gz MDVDEBDUZXQDGF-INIZCTEOSA-N 0 3 398.467 0.569 20 0 GCADHN COc1ccc([C@@H](CNC(=O)NCC(=O)N2CCOCC2)N2CCCC2)cc1 ZINC000271840500 1194416431 /nfs/dbraw/zinc/41/64/31/1194416431.db2.gz GELNQJLFMBCAFM-GOSISDBHSA-N 0 3 390.484 0.990 20 0 GCADHN Cc1csc2ncc(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)c(=O)n12 ZINC000271842249 1194417136 /nfs/dbraw/zinc/41/71/36/1194417136.db2.gz HZLONAQYFIQKLF-CQSZACIVSA-N 0 3 391.497 0.737 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC3(C)OCCO3)cc2)CC1 ZINC000271863277 1194418852 /nfs/dbraw/zinc/41/88/52/1194418852.db2.gz OMCLFLAJCHNQGO-UHFFFAOYSA-N 0 3 390.484 0.642 20 0 GCADHN O=C(NCC(=O)N1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000271889315 1194421168 /nfs/dbraw/zinc/42/11/68/1194421168.db2.gz CAAPLLUXDJMWRA-ROUUACIJSA-N 0 3 390.484 0.027 20 0 GCADHN COCCOc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccn1 ZINC000271984385 1194428225 /nfs/dbraw/zinc/42/82/25/1194428225.db2.gz XCZIXRTXWMFCFN-MRXNPFEDSA-N 0 3 376.457 0.485 20 0 GCADHN CS[C@H]1CN(CC(=O)N(CCC(N)=O)Cc2ccccc2)C[C@@H]1N(C)C ZINC000272052894 1194432709 /nfs/dbraw/zinc/43/27/09/1194432709.db2.gz QRFQHRWASAOPTJ-IRXDYDNUSA-N 0 3 378.542 0.868 20 0 GCADHN C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1cccc(S(N)(=O)=O)c1 ZINC000272154233 1194439111 /nfs/dbraw/zinc/43/91/11/1194439111.db2.gz YALBLOBYRDHQMH-LBPRGKRZSA-N 0 3 380.470 0.849 20 0 GCADHN Cn1c2ncn(CCN(Cc3ccc(C(N)=O)cc3)C3CC3)c2c(=O)n(C)c1=O ZINC000272213371 1194442438 /nfs/dbraw/zinc/44/24/38/1194442438.db2.gz JHDXRUSADQXHDD-UHFFFAOYSA-N 0 3 396.451 0.197 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 ZINC000272230264 1194443352 /nfs/dbraw/zinc/44/33/52/1194443352.db2.gz PDBDYNMNOWVJJK-AWEZNQCLSA-N 0 3 381.454 0.342 20 0 GCADHN C[C@H](CNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1)CN1CCN(C)CC1 ZINC000272423228 1194458425 /nfs/dbraw/zinc/45/84/25/1194458425.db2.gz KJFMQRLCTOVKKF-XYPHTWIQSA-N 0 3 392.525 0.690 20 0 GCADHN C[C@H](CNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1)CN1CCN(C)CC1 ZINC000272423227 1194458503 /nfs/dbraw/zinc/45/85/03/1194458503.db2.gz KJFMQRLCTOVKKF-XOKHGSTOSA-N 0 3 392.525 0.690 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)[C@@H]2C1 ZINC000272423645 1194458634 /nfs/dbraw/zinc/45/86/34/1194458634.db2.gz IBHZWBZILCDKIB-DLBZAZTESA-N 0 3 380.514 0.842 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)NCCCN3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000272468740 1194463938 /nfs/dbraw/zinc/46/39/38/1194463938.db2.gz PURUZROCRZKZPQ-ROUUACIJSA-N 0 3 387.532 0.724 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000272482506 1194465617 /nfs/dbraw/zinc/46/56/17/1194465617.db2.gz RXACPNSEYSVKAZ-UHFFFAOYSA-N 0 3 397.545 0.374 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2cccc(C(N)=O)n2)Cc2ccccc2C1 ZINC000272528302 1194469133 /nfs/dbraw/zinc/46/91/33/1194469133.db2.gz KSJNRRGREYXTPF-UHFFFAOYSA-N 0 3 381.436 0.334 20 0 GCADHN COc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000272563729 1194473579 /nfs/dbraw/zinc/47/35/79/1194473579.db2.gz MADNNLCNMKDJCR-KBPBESRZSA-N 0 3 397.497 0.539 20 0 GCADHN COc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000272563737 1194473662 /nfs/dbraw/zinc/47/36/62/1194473662.db2.gz MADNNLCNMKDJCR-UONOGXRCSA-N 0 3 397.497 0.539 20 0 GCADHN Cc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000272587060 1194476080 /nfs/dbraw/zinc/47/60/80/1194476080.db2.gz OVMZOBHCZZGAMC-LSDHHAIUSA-N 0 3 381.498 0.838 20 0 GCADHN Cc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000272587055 1194476115 /nfs/dbraw/zinc/47/61/15/1194476115.db2.gz OVMZOBHCZZGAMC-HUUCEWRRSA-N 0 3 381.498 0.838 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272642069 1194481672 /nfs/dbraw/zinc/48/16/72/1194481672.db2.gz OLXFPMITRUYTEO-RHSMWYFYSA-N 0 3 381.498 0.778 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272642068 1194481956 /nfs/dbraw/zinc/48/19/56/1194481956.db2.gz OLXFPMITRUYTEO-PBHICJAKSA-N 0 3 381.498 0.778 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)[C@H]2CCCN(C)C2)[C@H](C)O)cc1 ZINC000272702796 1194489015 /nfs/dbraw/zinc/48/90/15/1194489015.db2.gz WONHIRHNKXWUAN-ZOBUZTSGSA-N 0 3 383.514 0.575 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)[C@@H]2CCCN(C)C2)[C@H](C)O)cc1 ZINC000272702794 1194489316 /nfs/dbraw/zinc/48/93/16/1194489316.db2.gz WONHIRHNKXWUAN-UXLLHSPISA-N 0 3 383.514 0.575 20 0 GCADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)C2=NN(CCO)C(=O)CC2)cc1 ZINC000272700285 1194489333 /nfs/dbraw/zinc/48/93/33/1194489333.db2.gz WBQGEKWTGUGJRO-GOSISDBHSA-N 0 3 388.468 0.919 20 0 GCADHN C[C@@H](NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C1=CCN(C)CC1 ZINC000272730389 1194492763 /nfs/dbraw/zinc/49/27/63/1194492763.db2.gz KQCKTROVKGEIPS-OAHLLOKOSA-N 0 3 399.495 0.708 20 0 GCADHN Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N(C)CCN(C)C)c(C)c1 ZINC000272766387 1194498708 /nfs/dbraw/zinc/49/87/08/1194498708.db2.gz GRQPLXAJSKQAKE-SJORKVTESA-N 0 3 397.541 0.756 20 0 GCADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN[C@H](CO)C(C)C)C2=O)cc1 ZINC000272770176 1194499249 /nfs/dbraw/zinc/49/92/49/1194499249.db2.gz UCZHWBZPSNGYBN-KDOFPFPSSA-N 0 3 378.429 0.100 20 0 GCADHN C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C1=CCN(C)CC1 ZINC000272813703 1194504447 /nfs/dbraw/zinc/50/44/47/1194504447.db2.gz WLKONABVKPJWCZ-INIZCTEOSA-N 0 3 382.464 0.825 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1-n1cnnn1 ZINC000272812245 1194504615 /nfs/dbraw/zinc/50/46/15/1194504615.db2.gz MDTABVYFJUWSMB-HNNXBMFYSA-N 0 3 399.455 0.050 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)n1 ZINC000272948077 1194522791 /nfs/dbraw/zinc/52/27/91/1194522791.db2.gz JPMNLRMVJVOZOA-INIZCTEOSA-N 0 3 389.548 0.809 20 0 GCADHN CCOC(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000272971316 1194525677 /nfs/dbraw/zinc/52/56/77/1194525677.db2.gz XFXPSFHCZVWVTA-HNNXBMFYSA-N 0 3 390.484 0.802 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000272991387 1194527857 /nfs/dbraw/zinc/52/78/57/1194527857.db2.gz QBKCFGUQYTYTTD-CQSZACIVSA-N 0 3 381.498 0.992 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000273085383 1194537857 /nfs/dbraw/zinc/53/78/57/1194537857.db2.gz RMUIJIDDFVDYHY-IRXDYDNUSA-N 0 3 383.470 0.828 20 0 GCADHN CCN1CCN(CCNC(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000273094292 1194538285 /nfs/dbraw/zinc/53/82/85/1194538285.db2.gz SDVMOUAXWOQVAD-UHFFFAOYSA-N 0 3 378.473 0.187 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000273180502 1194545461 /nfs/dbraw/zinc/54/54/61/1194545461.db2.gz LPRYFXCKJXYAEO-HNNXBMFYSA-N 0 3 382.486 0.407 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000273217614 1194547679 /nfs/dbraw/zinc/54/76/79/1194547679.db2.gz CNPCVEYUZSRKKT-IRXDYDNUSA-N 0 3 390.484 0.922 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)CC1 ZINC000273240756 1194548482 /nfs/dbraw/zinc/54/84/82/1194548482.db2.gz HONUWSDJXXLFSI-KRWDZBQOSA-N 0 3 390.484 0.876 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H](CC(N)=O)C1CCCCC1 ZINC000273343286 1194556463 /nfs/dbraw/zinc/55/64/63/1194556463.db2.gz XEZUEYDIGKVYIX-AWEZNQCLSA-N 0 3 379.461 0.949 20 0 GCADHN CCN(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)c1ccccc1 ZINC000273371416 1194558452 /nfs/dbraw/zinc/55/84/52/1194558452.db2.gz PUULTXJXOVXELS-HNNXBMFYSA-N 0 3 392.485 0.331 20 0 GCADHN CCN(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)c1ccccc1 ZINC000273371421 1194558562 /nfs/dbraw/zinc/55/85/62/1194558562.db2.gz PUULTXJXOVXELS-OAHLLOKOSA-N 0 3 392.485 0.331 20 0 GCADHN CN1CCN(CCCNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000273401587 1194561319 /nfs/dbraw/zinc/56/13/19/1194561319.db2.gz KOPBOPPCPUANQZ-FQEVSTJZSA-N 0 3 387.484 0.207 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000273543853 1194570717 /nfs/dbraw/zinc/57/07/17/1194570717.db2.gz UIZILBAUOZANLH-GOEBONIOSA-N 0 3 399.538 0.994 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000273630903 1194578797 /nfs/dbraw/zinc/57/87/97/1194578797.db2.gz FYJSUJFJNCHGQO-MRXNPFEDSA-N 0 3 393.511 0.721 20 0 GCADHN COCCOCCS(=O)(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000273729556 1194586428 /nfs/dbraw/zinc/58/64/28/1194586428.db2.gz SWTLHFUOMNXPCQ-SFHVURJKSA-N 0 3 386.514 0.726 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1)C1CC1 ZINC000273759585 1194587689 /nfs/dbraw/zinc/58/76/89/1194587689.db2.gz SWVNSFXSTTUFFH-UHFFFAOYSA-N 0 3 386.452 0.875 20 0 GCADHN CS[C@@H]1CN(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)C[C@H]1N(C)C ZINC000273776237 1194588222 /nfs/dbraw/zinc/58/82/22/1194588222.db2.gz WLVALJSNHYNMEW-HUUCEWRRSA-N 0 3 393.513 0.801 20 0 GCADHN CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)CNC(C)(C)CC(N)=O ZINC000503199668 1194590640 /nfs/dbraw/zinc/59/06/40/1194590640.db2.gz RJBPVKAGSHJWOO-UHFFFAOYSA-N 0 3 399.517 0.362 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000422243607 1194593426 /nfs/dbraw/zinc/59/34/26/1194593426.db2.gz YNHVCKOAYWKYFJ-CQSZACIVSA-N 0 3 385.505 0.650 20 0 GCADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000422267360 1194595867 /nfs/dbraw/zinc/59/58/67/1194595867.db2.gz XUTRJCGGOJPOMD-DZGCQCFKSA-N 0 3 396.513 0.325 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000422280296 1194599640 /nfs/dbraw/zinc/59/96/40/1194599640.db2.gz GVZOBLVGEXZKFZ-QZTJIDSGSA-N 0 3 386.496 0.845 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000422261805 1194601761 /nfs/dbraw/zinc/60/17/61/1194601761.db2.gz PSUXHLBJXZOHAQ-CVEARBPZSA-N 0 3 383.533 0.907 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000422290363 1194604513 /nfs/dbraw/zinc/60/45/13/1194604513.db2.gz DGTLGQQWHSQNIF-IRXDYDNUSA-N 0 3 378.517 0.740 20 0 GCADHN COc1cc(OC)c(CCNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c(OC)c1 ZINC000422293722 1194605776 /nfs/dbraw/zinc/60/57/76/1194605776.db2.gz AQLZYWNDHBTHPD-AWEZNQCLSA-N 0 3 393.484 0.924 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)[C@@H](C)N1CCOCC1 ZINC000422303141 1194609945 /nfs/dbraw/zinc/60/99/45/1194609945.db2.gz ZDFAIWAPRIKPDW-HZPDHXFCSA-N 0 3 396.557 0.864 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCSC[C@H](C(=O)OC)C1 ZINC000422324434 1194614140 /nfs/dbraw/zinc/61/41/40/1194614140.db2.gz ICSMZKSKAINKJQ-HUUCEWRRSA-N 0 3 385.530 0.732 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)cn1 ZINC000422348227 1194621897 /nfs/dbraw/zinc/62/18/97/1194621897.db2.gz DWWKKMYLIQQWGJ-UHFFFAOYSA-N 0 3 381.480 0.659 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000422377750 1194626425 /nfs/dbraw/zinc/62/64/25/1194626425.db2.gz KFWAYHBMAXYAPF-AWEZNQCLSA-N 0 3 378.439 0.930 20 0 GCADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000422380140 1194629994 /nfs/dbraw/zinc/62/99/94/1194629994.db2.gz AXSZDBJWLRLACR-ZBFHGGJFSA-N 0 3 383.514 0.949 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000422391577 1194633223 /nfs/dbraw/zinc/63/32/23/1194633223.db2.gz VWNNYUXJAUREOT-IRXDYDNUSA-N 0 3 378.517 0.979 20 0 GCADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCCN2C)C1=O ZINC000422396285 1194635786 /nfs/dbraw/zinc/63/57/86/1194635786.db2.gz KTJCPNXIFQIAJZ-CABCVRRESA-N 0 3 388.468 0.469 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1=O ZINC000422426568 1194638151 /nfs/dbraw/zinc/63/81/51/1194638151.db2.gz BRTSAXZXBULXBS-LSDHHAIUSA-N 0 3 390.488 0.067 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000422426949 1194638604 /nfs/dbraw/zinc/63/86/04/1194638604.db2.gz PUHLOCZWCVOOJF-HNNXBMFYSA-N 0 3 375.498 0.966 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000422406026 1194639134 /nfs/dbraw/zinc/63/91/34/1194639134.db2.gz ZFYYHEHCYNLSLX-FGTMMUONSA-N 0 3 377.485 0.071 20 0 GCADHN CC(C)[C@@H](CNC(=O)c1cncc(NS(C)(=O)=O)c1)N1CCN(C)CC1 ZINC000503330296 1194640527 /nfs/dbraw/zinc/64/05/27/1194640527.db2.gz WRKQJRNATFKSBF-MRXNPFEDSA-N 0 3 383.518 0.455 20 0 GCADHN CC(C)[C@H](CNC(=O)c1cncc(NS(C)(=O)=O)c1)N1CCN(C)CC1 ZINC000503330295 1194640593 /nfs/dbraw/zinc/64/05/93/1194640593.db2.gz WRKQJRNATFKSBF-INIZCTEOSA-N 0 3 383.518 0.455 20 0 GCADHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000422440133 1194645740 /nfs/dbraw/zinc/64/57/40/1194645740.db2.gz FGFFNICYDIVVCO-BRWVUGGUSA-N 0 3 394.516 0.215 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(C)c(C)n2)CC1 ZINC000422470921 1194646725 /nfs/dbraw/zinc/64/67/25/1194646725.db2.gz HUJYQITVDFQWJU-UHFFFAOYSA-N 0 3 389.500 0.327 20 0 GCADHN CC(=O)NCc1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000503367899 1194647081 /nfs/dbraw/zinc/64/70/81/1194647081.db2.gz BSOWMWHJBXPNAH-SFHVURJKSA-N 0 3 390.484 0.830 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2(COC)CCCC2)CC1 ZINC000422456626 1194649102 /nfs/dbraw/zinc/64/91/02/1194649102.db2.gz UPWRKFQJBSVQBE-UHFFFAOYSA-N 0 3 396.532 0.322 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C2CC2)C2CCC2)CC1 ZINC000422463758 1194650437 /nfs/dbraw/zinc/65/04/37/1194650437.db2.gz ISZXHYRGPXYQFB-SFHVURJKSA-N 0 3 378.517 0.694 20 0 GCADHN COC(=O)c1cc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)oc1C ZINC000503384032 1194651416 /nfs/dbraw/zinc/65/14/16/1194651416.db2.gz GDVFCNKZEGKEEF-UHFFFAOYSA-N 0 3 392.456 0.824 20 0 GCADHN CCn1ccc(CNC(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000422496270 1194652464 /nfs/dbraw/zinc/65/24/64/1194652464.db2.gz QYYPUFILWHQGNR-IYBDPMFKSA-N 0 3 391.516 0.867 20 0 GCADHN CNC(=O)c1cccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503391272 1194653359 /nfs/dbraw/zinc/65/33/59/1194653359.db2.gz OGYFCRSUTNTVSP-UHFFFAOYSA-N 0 3 387.484 0.496 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422519816 1194659751 /nfs/dbraw/zinc/65/97/51/1194659751.db2.gz QQSJBXMKSVHOMO-INIZCTEOSA-N 0 3 376.432 0.600 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422520666 1194659934 /nfs/dbraw/zinc/65/99/34/1194659934.db2.gz RQVJGDKJBRZEBL-JKSUJKDBSA-N 0 3 376.432 0.600 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000422522065 1194660524 /nfs/dbraw/zinc/66/05/24/1194660524.db2.gz VETYNIPRDWZKLV-SJORKVTESA-N 0 3 390.459 0.988 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cn1 ZINC000422525574 1194661720 /nfs/dbraw/zinc/66/17/20/1194661720.db2.gz FGVXSOAJTNHSGH-MXSMSXNCSA-N 0 3 391.516 0.942 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1=CCN(C)CC1 ZINC000422534859 1194664244 /nfs/dbraw/zinc/66/42/44/1194664244.db2.gz ZJCMFMUNROCCAK-CXAGYDPISA-N 0 3 388.443 0.814 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C1=CCN(C)CC1 ZINC000422534862 1194664346 /nfs/dbraw/zinc/66/43/46/1194664346.db2.gz ZJCMFMUNROCCAK-SUMWQHHRSA-N 0 3 388.443 0.814 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCCOC[C@H]2CCCO2)CC1 ZINC000503439982 1194668040 /nfs/dbraw/zinc/66/80/40/1194668040.db2.gz XDFSYWYLRCDOLS-QGZVFWFLSA-N 0 3 382.505 0.522 20 0 GCADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc(C)n1 ZINC000422585655 1194668884 /nfs/dbraw/zinc/66/88/84/1194668884.db2.gz DJHYZJJXIBWJRJ-KRWDZBQOSA-N 0 3 387.484 0.080 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CC1(C)C ZINC000422583993 1194672126 /nfs/dbraw/zinc/67/21/26/1194672126.db2.gz YQEGLDVKRVZGTK-HZPDHXFCSA-N 0 3 378.517 0.694 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H]1CC1(C)C ZINC000422583388 1194672262 /nfs/dbraw/zinc/67/22/62/1194672262.db2.gz WYXPDRPFQNLJLA-HRCADAONSA-N 0 3 378.517 0.692 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422627918 1194678058 /nfs/dbraw/zinc/67/80/58/1194678058.db2.gz RBTWOONZJQDYIJ-BXUZGUMPSA-N 0 3 378.454 0.875 20 0 GCADHN CON1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC000422633258 1194679346 /nfs/dbraw/zinc/67/93/46/1194679346.db2.gz NTUBHQIUWUGXAH-UHFFFAOYSA-N 0 3 380.464 0.858 20 0 GCADHN CON1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000422636638 1194679708 /nfs/dbraw/zinc/67/97/08/1194679708.db2.gz WMAUXPKBSFRTPA-UHFFFAOYSA-N 0 3 398.454 0.997 20 0 GCADHN COC1([C@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CCOCC1 ZINC000422636755 1194679736 /nfs/dbraw/zinc/67/97/36/1194679736.db2.gz PPVYXBDYVQURSN-HOTGVXAUSA-N 0 3 385.505 0.256 20 0 GCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000422758873 1194695629 /nfs/dbraw/zinc/69/56/29/1194695629.db2.gz JIDZBOQALSSLKQ-QFBILLFUSA-N 0 3 377.485 0.945 20 0 GCADHN COCc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503643242 1194703229 /nfs/dbraw/zinc/70/32/29/1194703229.db2.gz LJJLBACDHDZZOC-UHFFFAOYSA-N 0 3 388.468 0.538 20 0 GCADHN CCO[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C12CCCC2 ZINC000503702039 1194711604 /nfs/dbraw/zinc/71/16/04/1194711604.db2.gz HSNJDIRKFGWXOL-ROUUACIJSA-N 0 3 394.560 0.936 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000549963645 1194715225 /nfs/dbraw/zinc/71/52/25/1194715225.db2.gz GVQZHSZCTQEULM-KRWDZBQOSA-N 0 3 376.501 0.321 20 0 GCADHN [NH3+][C@H](C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1)C1CCC1 ZINC000423059511 1194722559 /nfs/dbraw/zinc/72/25/59/1194722559.db2.gz MFKKTMBFCSLCKO-HNNXBMFYSA-N 0 3 377.470 0.523 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C[C@H]1C[NH3+] ZINC000423121649 1194728696 /nfs/dbraw/zinc/72/86/96/1194728696.db2.gz AYYWQGJVARMOJF-GDBMZVCRSA-N 0 3 388.468 0.120 20 0 GCADHN C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000423122296 1194728786 /nfs/dbraw/zinc/72/87/86/1194728786.db2.gz CBRUJEWMBIJRGQ-UHFFFAOYSA-N 0 3 388.468 0.135 20 0 GCADHN [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000423132215 1194729916 /nfs/dbraw/zinc/72/99/16/1194729916.db2.gz OWMNXGSPESPMQF-HNNXBMFYSA-N 0 3 388.468 0.264 20 0 GCADHN COc1cc(CNCCNC(=O)c2ccn[nH]2)cc(Cl)c1OCC(N)=O ZINC000503916330 1194730671 /nfs/dbraw/zinc/73/06/71/1194730671.db2.gz ZJQMVGZXROKFSH-UHFFFAOYSA-N 0 3 381.820 0.455 20 0 GCADHN Cc1noc([C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C2CCOCC2)n1 ZINC000503946002 1194736232 /nfs/dbraw/zinc/73/62/32/1194736232.db2.gz KTSFZMDEFBDZMP-GDBMZVCRSA-N 0 3 379.461 0.372 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)CNCCO4)CC2)no1 ZINC000414724893 1194741907 /nfs/dbraw/zinc/74/19/07/1194741907.db2.gz KWFHBLZHILJRAG-UHFFFAOYSA-N 0 3 399.451 0.748 20 0 GCADHN CC(C)C[C@@H]1COCCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423302994 1194748383 /nfs/dbraw/zinc/74/83/83/1194748383.db2.gz IHYMVJNUTNIAIN-JKSUJKDBSA-N 0 3 378.477 0.174 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000423328779 1194749127 /nfs/dbraw/zinc/74/91/27/1194749127.db2.gz SHRXFKLGPVSPQQ-UHOFOFEASA-N 0 3 399.488 0.360 20 0 GCADHN C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423379090 1194751977 /nfs/dbraw/zinc/75/19/77/1194751977.db2.gz CSWWHBWMWBPWPW-RDTXWAMCSA-N 0 3 382.468 0.874 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCOC[C@@H]3c3ccccc3)C2)nn1 ZINC000423428414 1194756499 /nfs/dbraw/zinc/75/64/99/1194756499.db2.gz RCOFXCLYMGQPDJ-QZTJIDSGSA-N 0 3 398.467 0.500 20 0 GCADHN COC(=O)c1cccc(NC2CCN(C(=O)C(=O)N3CCCNCC3)CC2)c1 ZINC000423603812 1194771933 /nfs/dbraw/zinc/77/19/33/1194771933.db2.gz FIACYHUHIWMPFH-UHFFFAOYSA-N 0 3 388.468 0.698 20 0 GCADHN O=C(Nc1cccc(F)c1)C1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423603186 1194772063 /nfs/dbraw/zinc/77/20/63/1194772063.db2.gz DUSNNDSZQREQFD-UHFFFAOYSA-N 0 3 376.432 0.825 20 0 GCADHN O=C(CCC1CCCCC1)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423607768 1194772841 /nfs/dbraw/zinc/77/28/41/1194772841.db2.gz JJWOKIIQIOLBNR-UHFFFAOYSA-N 0 3 378.517 0.840 20 0 GCADHN O=C(N[C@@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1)c1cc2ccccc2o1 ZINC000423612377 1194773426 /nfs/dbraw/zinc/77/34/26/1194773426.db2.gz PEKHDFUDHWUPQV-MRXNPFEDSA-N 0 3 398.463 0.976 20 0 GCADHN COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)s1 ZINC000423618543 1194774385 /nfs/dbraw/zinc/77/43/85/1194774385.db2.gz YZMGVOFEVLXFSQ-UHFFFAOYSA-N 0 3 380.470 0.005 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N2CCC(CCCN3CCOCC3)CC2)[C@@H](C)CN1 ZINC000423650427 1194778926 /nfs/dbraw/zinc/77/89/26/1194778926.db2.gz KSUKRVQEXPRMRQ-IRXDYDNUSA-N 0 3 380.533 0.546 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C[C@H](C)S1(=O)=O ZINC000423650665 1194779248 /nfs/dbraw/zinc/77/92/48/1194779248.db2.gz LPENVIDTTBJCPA-PQEBFOHHSA-N 0 3 393.509 0.364 20 0 GCADHN C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000423660378 1194780941 /nfs/dbraw/zinc/78/09/41/1194780941.db2.gz KGFOZNMXNOVNCL-UHFFFAOYSA-N 0 3 388.468 0.135 20 0 GCADHN C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000423664554 1194781580 /nfs/dbraw/zinc/78/15/80/1194781580.db2.gz IPKPJNHXOZOPCS-CQSZACIVSA-N 0 3 388.468 0.262 20 0 GCADHN CCC1(CC)CN(C(=O)C(=O)N(CCN)Cc2ccccc2)CCS1(=O)=O ZINC000423665241 1194781609 /nfs/dbraw/zinc/78/16/09/1194781609.db2.gz JRLKZYGZQFQARF-UHFFFAOYSA-N 0 3 395.525 0.790 20 0 GCADHN CC(=O)N[C@@](C)(C(=O)N1CCNC(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000423705737 1194786592 /nfs/dbraw/zinc/78/65/92/1194786592.db2.gz IJWNOJWDRLGTFD-GOSISDBHSA-N 0 3 381.498 0.652 20 0 GCADHN Cn1ccc2c(NC(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)cccc2c1=O ZINC000504470245 1194794818 /nfs/dbraw/zinc/79/48/18/1194794818.db2.gz VQYYQCLISXENJX-UHFFFAOYSA-N 0 3 399.495 0.619 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000664369356 1194795958 /nfs/dbraw/zinc/79/59/58/1194795958.db2.gz QVMVEPUFXYTIHH-UHFFFAOYSA-N 0 3 378.477 0.402 20 0 GCADHN O=C(CNCC1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1)NC[C@H]1CCOC1 ZINC001269575765 1194796987 /nfs/dbraw/zinc/79/69/87/1194796987.db2.gz OMIUEYHTPCCMFT-VQHPVUNQSA-N 0 3 379.501 0.725 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CNCCO3)CC2)cc1C ZINC000423997992 1194797636 /nfs/dbraw/zinc/79/76/36/1194797636.db2.gz YYZRBJRHYYRCOJ-KRWDZBQOSA-N 0 3 395.525 0.809 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424070551 1194800974 /nfs/dbraw/zinc/80/09/74/1194800974.db2.gz CPKYCZZMTXDHIE-SMDDNHRTSA-N 0 3 378.454 0.875 20 0 GCADHN CCc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1S(C)(=O)=O ZINC000424221461 1194805759 /nfs/dbraw/zinc/80/57/59/1194805759.db2.gz BTXCMZMUUOOASE-JKSUJKDBSA-N 0 3 376.482 0.953 20 0 GCADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000504776006 1194805839 /nfs/dbraw/zinc/80/58/39/1194805839.db2.gz PHMZPUMTGHAXSQ-CUWPLCDZSA-N 0 3 386.496 0.980 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCCn3cncn3)c2)CC1 ZINC000505004712 1194820060 /nfs/dbraw/zinc/82/00/60/1194820060.db2.gz DSJAFIOZSANCOJ-UHFFFAOYSA-N 0 3 385.472 0.563 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1nccn1C)C(=O)NCCN1CCCCC1 ZINC000424539112 1194822340 /nfs/dbraw/zinc/82/23/40/1194822340.db2.gz ZDJDWAGJJLPNPS-BZUAXINKSA-N 0 3 377.489 0.605 20 0 GCADHN COC[C@H](CCO)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000505088110 1194827283 /nfs/dbraw/zinc/82/72/83/1194827283.db2.gz VUMVOXMNTWEVEW-KRWDZBQOSA-N 0 3 392.500 0.669 20 0 GCADHN CCN(CC(=O)NC(C)C)C(=O)CN1CCC(CCN2CCOCC2)CC1 ZINC000513817702 1194837593 /nfs/dbraw/zinc/83/75/93/1194837593.db2.gz NBSJWHWUGIOCHP-UHFFFAOYSA-N 0 3 382.549 0.794 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2cccn(CC)c2=O)CC1 ZINC000434455054 1194846768 /nfs/dbraw/zinc/84/67/68/1194846768.db2.gz VAOVGTGFOOZSCQ-UHFFFAOYSA-N 0 3 377.489 0.564 20 0 GCADHN C[C@@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@]2(CCOC2)O1 ZINC000366585508 1194848144 /nfs/dbraw/zinc/84/81/44/1194848144.db2.gz GOXFGHOZWLGGEB-APWZRJJASA-N 0 3 375.473 0.395 20 0 GCADHN C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000366585890 1194848505 /nfs/dbraw/zinc/84/85/05/1194848505.db2.gz OCECTMFIUAMBLE-SIXLDLHFSA-N 0 3 377.485 0.920 20 0 GCADHN CC(C)(NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000514214743 1194856728 /nfs/dbraw/zinc/85/67/28/1194856728.db2.gz NSCNVQFLWVZVIM-UHFFFAOYSA-N 0 3 386.496 0.962 20 0 GCADHN Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)C1 ZINC000427354021 1194857129 /nfs/dbraw/zinc/85/71/29/1194857129.db2.gz FHLGBDCGFSOOSQ-HNNXBMFYSA-N 0 3 399.499 0.650 20 0 GCADHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000514236726 1194858748 /nfs/dbraw/zinc/85/87/48/1194858748.db2.gz XWHCIDBVBGCOBO-LSDHHAIUSA-N 0 3 384.521 0.223 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)CSCC(=O)N2CCOCC2)C[C@H](C)O1 ZINC000434788273 1194869975 /nfs/dbraw/zinc/86/99/75/1194869975.db2.gz TZNXEADVSPHWPZ-HOTGVXAUSA-N 0 3 387.546 0.584 20 0 GCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000414860105 1194879550 /nfs/dbraw/zinc/87/95/50/1194879550.db2.gz CJYFUKLRMGPVGF-SWLSCSKDSA-N 0 3 392.456 0.753 20 0 GCADHN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000514588410 1194885687 /nfs/dbraw/zinc/88/56/87/1194885687.db2.gz BKJPPHQNUHBMSH-PBHICJAKSA-N 0 3 388.468 0.429 20 0 GCADHN CN(CCN1CCOCC1)Cc1cncc(CN(C)CCN2CCOCC2)c1 ZINC000514653627 1194891187 /nfs/dbraw/zinc/89/11/87/1194891187.db2.gz ZXVRHURMOMRLMD-UHFFFAOYSA-N 0 3 391.560 0.610 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCCN(C)c1ccccc1)CN1CCN(C)CC1 ZINC000514677200 1194892471 /nfs/dbraw/zinc/89/24/71/1194892471.db2.gz BOLGNMORFIMCNI-KRWDZBQOSA-N 0 3 375.517 0.239 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1=O ZINC000653359712 1194894293 /nfs/dbraw/zinc/89/42/93/1194894293.db2.gz ZXHSSQSTQRTONI-BRWVUGGUSA-N 0 3 378.517 0.694 20 0 GCADHN C[C@H](O)CCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000435160462 1194894409 /nfs/dbraw/zinc/89/44/09/1194894409.db2.gz HSWVOOWVVQPNJE-LBPRGKRZSA-N 0 3 378.429 0.372 20 0 GCADHN COC(=O)[C@@](C)(CN[C@@H](C)C(=O)N1CCN(C(C)=O)CC1)c1ccccc1 ZINC000469267916 1194907103 /nfs/dbraw/zinc/90/71/03/1194907103.db2.gz VZZYJPZCFFMNDL-YWZLYKJASA-N 0 3 375.469 0.786 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)CCc2cccc3c2OCO3)CC1=O ZINC000425314922 1194908610 /nfs/dbraw/zinc/90/86/10/1194908610.db2.gz JSVWTBBKCTXWSY-MRXNPFEDSA-N 0 3 391.468 0.643 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc3nc(C)n(C)c3c2)CC1=O ZINC000425316217 1194908828 /nfs/dbraw/zinc/90/88/28/1194908828.db2.gz LCCFNPCVCQLZLV-INIZCTEOSA-N 0 3 387.484 0.791 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc3oc(=O)[nH]c3c2)CC1=O ZINC000425316286 1194909130 /nfs/dbraw/zinc/90/91/30/1194909130.db2.gz LLTUPIGKKHHVIB-CYBMUJFWSA-N 0 3 376.413 0.442 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCC(=O)c3cccn32)CC1=O ZINC000425318742 1194909491 /nfs/dbraw/zinc/90/94/91/1194909491.db2.gz PBNMDIJWROWPOD-GDBMZVCRSA-N 0 3 376.457 0.301 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C)cc(C(=O)OC)c2)CC1=O ZINC000425318748 1194909496 /nfs/dbraw/zinc/90/94/96/1194909496.db2.gz PCDXRGWMFVVGNE-KRWDZBQOSA-N 0 3 391.468 0.691 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)CCc2c(C)nc(C)[nH]c2=O)CC1=O ZINC000425318366 1194910081 /nfs/dbraw/zinc/91/00/81/1194910081.db2.gz OMIYWAHYXJKMBS-OAHLLOKOSA-N 0 3 393.488 0.027 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1=O ZINC000425326658 1194912299 /nfs/dbraw/zinc/91/22/99/1194912299.db2.gz YWYGSUQUNSBRDN-AWEZNQCLSA-N 0 3 389.456 0.188 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)CC1=O ZINC000425324962 1194912342 /nfs/dbraw/zinc/91/23/42/1194912342.db2.gz WMOYSGZUTSPEOD-AWEZNQCLSA-N 0 3 388.472 0.484 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccc(OC)cc2F)CC1=O ZINC000425323352 1194914095 /nfs/dbraw/zinc/91/40/95/1194914095.db2.gz UWNOGTJXZXOWIU-HNNXBMFYSA-N 0 3 381.448 0.672 20 0 GCADHN CCn1nc(C)c(CC(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)c1C ZINC000425324484 1194914412 /nfs/dbraw/zinc/91/44/12/1194914412.db2.gz WEQUBTYRWFEYIL-INIZCTEOSA-N 0 3 379.505 0.358 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)CC1=O ZINC000425322869 1194914572 /nfs/dbraw/zinc/91/45/72/1194914572.db2.gz UFOXHKSJZQUHSU-HOTGVXAUSA-N 0 3 377.489 0.049 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCc3cc(C)ccc3O2)CC1=O ZINC000425326169 1194914651 /nfs/dbraw/zinc/91/46/51/1194914651.db2.gz YHCFWTCSAWSOOY-HKUYNNGSSA-N 0 3 389.496 0.984 20 0 GCADHN CC(C)Cc1nnc(NC(=O)CN(C)C(=O)[C@H]2CN3CCN2CCC3)s1 ZINC000514825941 1194915620 /nfs/dbraw/zinc/91/56/20/1194915620.db2.gz VVRIFSWWENINFK-CYBMUJFWSA-N 0 3 380.518 0.523 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)CC1=O ZINC000425327254 1194916419 /nfs/dbraw/zinc/91/64/19/1194916419.db2.gz ZMKKLXSNJJBBOL-IRXDYDNUSA-N 0 3 375.469 0.594 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(NC(C)C)nc2)CC1=O ZINC000425327632 1194916488 /nfs/dbraw/zinc/91/64/88/1194916488.db2.gz ZVZIRHOSZRUJJB-MRXNPFEDSA-N 0 3 377.489 0.811 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3cn(-c4cccc(Cl)c4F)nn3)CCN2C1=O ZINC000514873327 1194923931 /nfs/dbraw/zinc/92/39/31/1194923931.db2.gz NLCPYGQTVUMVQF-GXSJLCMTSA-N 0 3 378.795 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CNC(=O)CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435477499 1194937659 /nfs/dbraw/zinc/93/76/59/1194937659.db2.gz PMZWIQHAYAZOOQ-MRXNPFEDSA-N 0 3 398.467 0.521 20 0 GCADHN CN(C)C(=O)[C@@H]1CCSC12CN(CC1CCN(S(C)(=O)=O)CC1)C2 ZINC001280133922 1194938771 /nfs/dbraw/zinc/93/87/71/1194938771.db2.gz NYAANFOTNHJOIQ-AWEZNQCLSA-N 0 3 375.560 0.554 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCCN(Cc4cscn4)CC3)[C@@H]2C1 ZINC000425391697 1194940648 /nfs/dbraw/zinc/94/06/48/1194940648.db2.gz SEFUMTSRXFCWCV-DOTOQJQBSA-N 0 3 391.541 0.730 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H](CN4CCOCC4)C3)[C@@H]2C1 ZINC000425390623 1194941103 /nfs/dbraw/zinc/94/11/03/1194941103.db2.gz RBBKUSDGIGASAT-OKZBNKHCSA-N 0 3 378.517 0.110 20 0 GCADHN CC(=O)N[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425393654 1194942257 /nfs/dbraw/zinc/94/22/57/1194942257.db2.gz DMMRHJLRAQQXHA-GBESFXJTSA-N 0 3 384.480 0.456 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N(C)C[C@H](O)CN2CCOCC2)CC1 ZINC000435560287 1194943755 /nfs/dbraw/zinc/94/37/55/1194943755.db2.gz MMFJQJMIJVDKOU-SFHVURJKSA-N 0 3 386.537 0.210 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4ncccc4F)CC3)[C@@H]2C1 ZINC000425395454 1194946248 /nfs/dbraw/zinc/94/62/48/1194946248.db2.gz XSYWSLCFTZOZLP-GOEBONIOSA-N 0 3 375.448 0.422 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CCN1CCOC ZINC000425398553 1194951446 /nfs/dbraw/zinc/95/14/46/1194951446.db2.gz IJFYZKWNCNIRST-RCCFBDPRSA-N 0 3 380.533 0.498 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCSC[C@H]3c3cnn(C)c3)[C@@H]2C1 ZINC000425405420 1194960286 /nfs/dbraw/zinc/96/02/86/1194960286.db2.gz QYURKKHZPDFPFQ-IMJJTQAJSA-N 0 3 377.514 0.589 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)CC3)[C@@H]2C1 ZINC000425406953 1194963303 /nfs/dbraw/zinc/96/33/03/1194963303.db2.gz USGUVBIDXXNRKI-GVDBMIGSSA-N 0 3 376.501 0.543 20 0 GCADHN C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435834049 1194966922 /nfs/dbraw/zinc/96/69/22/1194966922.db2.gz IAWBPCJUQWKWJC-GOEBONIOSA-N 0 3 398.467 0.649 20 0 GCADHN O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000515326237 1194967390 /nfs/dbraw/zinc/96/73/90/1194967390.db2.gz XRUIVXVUDGUODS-QZTJIDSGSA-N 0 3 399.495 0.386 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)Nc3cc(F)c(F)cc3N3CCOCC3)CCN2C1=O ZINC000515356975 1194970463 /nfs/dbraw/zinc/97/04/63/1194970463.db2.gz OMXXKNLWDYYXGJ-FZMZJTMJSA-N 0 3 395.410 0.577 20 0 GCADHN CN(CCNC(=O)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)C1CC1 ZINC000284995060 1194973694 /nfs/dbraw/zinc/97/36/94/1194973694.db2.gz LBCFNPFHSQTUCA-UHFFFAOYSA-N 0 3 392.887 0.835 20 0 GCADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H]1CCCO1 ZINC000515447228 1194975595 /nfs/dbraw/zinc/97/55/95/1194975595.db2.gz GICJZWYFCCYYTI-JKSUJKDBSA-N 0 3 376.505 0.762 20 0 GCADHN CS[C@H]1CCCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000515465101 1194976635 /nfs/dbraw/zinc/97/66/35/1194976635.db2.gz SSXNMPXUXATIDM-INIZCTEOSA-N 0 3 396.557 0.497 20 0 GCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCc1ccn(C)n1 ZINC000515477510 1194978180 /nfs/dbraw/zinc/97/81/80/1194978180.db2.gz ZCTNNQXUYJDODV-LJQANCHMSA-N 0 3 398.511 0.987 20 0 GCADHN CN(C)[C@H]1CN(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)C[C@@H]1O ZINC000515667899 1194989879 /nfs/dbraw/zinc/98/98/79/1194989879.db2.gz XFWGCFABTNMRQD-GJZGRUSLSA-N 0 3 375.391 0.807 20 0 GCADHN COC(=O)[C@@H]1CN(C[C@@H](O)CN2CCOCC2)C[C@H]1c1ccc(F)cc1F ZINC000425512632 1194995434 /nfs/dbraw/zinc/99/54/34/1194995434.db2.gz QIGISGKLZIEUDD-BHYGNILZSA-N 0 3 384.423 0.846 20 0 GCADHN CC[C@](C)(CO)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000515754444 1194995468 /nfs/dbraw/zinc/99/54/68/1194995468.db2.gz SELMZXQVBQBOPX-HXUWFJFHSA-N 0 3 390.484 0.600 20 0 GCADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1O ZINC000664552644 1195002731 /nfs/dbraw/zinc/00/27/31/1195002731.db2.gz QELDDIHBAHTXNU-ILXRZTDVSA-N 0 3 384.839 0.901 20 0 GCADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1O ZINC000664552645 1195002920 /nfs/dbraw/zinc/00/29/20/1195002920.db2.gz QELDDIHBAHTXNU-KKUMJFAQSA-N 0 3 384.839 0.901 20 0 GCADHN COc1cc(CNC(=O)CN2CC[C@@H](c3nc[nH]n3)C2)cc(OC)c1OC ZINC000425550945 1195006426 /nfs/dbraw/zinc/00/64/26/1195006426.db2.gz PUGODVMPYYNESA-CYBMUJFWSA-N 0 3 375.429 0.936 20 0 GCADHN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425553455 1195008193 /nfs/dbraw/zinc/00/81/93/1195008193.db2.gz UNBKFUHAGOTIFQ-DYVFJYSZSA-N 0 3 396.451 0.976 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000505841701 1195012413 /nfs/dbraw/zinc/01/24/13/1195012413.db2.gz XMNVWOVWDBSERR-NWDGAFQWSA-N 0 3 383.518 0.636 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000505841700 1195012580 /nfs/dbraw/zinc/01/25/80/1195012580.db2.gz XMNVWOVWDBSERR-NEPJUHHUSA-N 0 3 383.518 0.636 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000505841703 1195012626 /nfs/dbraw/zinc/01/26/26/1195012626.db2.gz XMNVWOVWDBSERR-VXGBXAGGSA-N 0 3 383.518 0.636 20 0 GCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000516203996 1195031862 /nfs/dbraw/zinc/03/18/62/1195031862.db2.gz WZNCBQCAQNVCRF-KRWDZBQOSA-N 0 3 388.468 0.698 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@H](O)CNC[C@H]1CCCCS1(=O)=O ZINC000516278542 1195038099 /nfs/dbraw/zinc/03/80/99/1195038099.db2.gz WRNLSTKLRKKVJX-HUUCEWRRSA-N 0 3 381.454 0.421 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCCCC1 ZINC000549984736 1195040937 /nfs/dbraw/zinc/04/09/37/1195040937.db2.gz FLVQENHHNFIQMD-MRXNPFEDSA-N 0 3 394.516 0.217 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Cl ZINC000516316057 1195042483 /nfs/dbraw/zinc/04/24/83/1195042483.db2.gz ZFZKEUOVABFEHV-JSGCOSHPSA-N 0 3 394.859 0.836 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC(F)(F)C2)CC1 ZINC000516333821 1195043589 /nfs/dbraw/zinc/04/35/89/1195043589.db2.gz GYLIKVUXMMIKRW-KGLIPLIRSA-N 0 3 386.443 0.303 20 0 GCADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)CC1=O ZINC000652733333 1195044119 /nfs/dbraw/zinc/04/41/19/1195044119.db2.gz DMKKXSMVFYLZBR-KRWDZBQOSA-N 0 3 387.484 0.915 20 0 GCADHN CCN1CCN(CCCNC(=O)CCc2c(C)nc3nc(N)nn3c2C)CC1 ZINC000516384194 1195047455 /nfs/dbraw/zinc/04/74/55/1195047455.db2.gz MHWSZUIAMRKOQS-UHFFFAOYSA-N 0 3 388.520 0.400 20 0 GCADHN CCOC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc(S(C)(=O)=O)c1 ZINC000288148856 1195050777 /nfs/dbraw/zinc/05/07/77/1195050777.db2.gz LYWDWJUXYMECSM-NSHDSACASA-N 0 3 399.469 0.272 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000288178065 1195051615 /nfs/dbraw/zinc/05/16/15/1195051615.db2.gz OBKVNDONOQMBIY-HZPDHXFCSA-N 0 3 397.472 0.015 20 0 GCADHN COc1ccc([C@H](CO)N(C)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000516435484 1195053352 /nfs/dbraw/zinc/05/33/52/1195053352.db2.gz HAJGAZALDVIDAX-LPHOPBHVSA-N 0 3 395.525 0.741 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3COCCO3)c(C)c2)CC1 ZINC000516457291 1195054507 /nfs/dbraw/zinc/05/45/07/1195054507.db2.gz FTABREBJGHUFFI-KRWDZBQOSA-N 0 3 390.484 0.607 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N(C)Cc1cc(OC)cc(OC)c1 ZINC000288255229 1195054641 /nfs/dbraw/zinc/05/46/41/1195054641.db2.gz TVTBBFHVQFNCAK-UHFFFAOYSA-N 0 3 381.473 0.747 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N(C)CCCn2ccnc2)Cc2ccccc2C1 ZINC000288534802 1195063413 /nfs/dbraw/zinc/06/34/13/1195063413.db2.gz LGYAWJMNSWFVRC-UHFFFAOYSA-N 0 3 383.496 0.947 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCNC(=O)CCCc3ccccc3)CCN2C1=O ZINC000516584866 1195071327 /nfs/dbraw/zinc/07/13/27/1195071327.db2.gz FBXPCTIBSWTNPA-IAGOWNOFSA-N 0 3 387.484 0.079 20 0 GCADHN CC(C)OCCCCNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000516674901 1195082222 /nfs/dbraw/zinc/08/22/22/1195082222.db2.gz MODKNVCKTBZJCP-GOSISDBHSA-N 0 3 382.549 0.935 20 0 GCADHN C[C@@H](O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000506017213 1195090845 /nfs/dbraw/zinc/09/08/45/1195090845.db2.gz KGAAHLDFXDJLAF-CVEARBPZSA-N 0 3 381.498 0.222 20 0 GCADHN COCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000516766825 1195092882 /nfs/dbraw/zinc/09/28/82/1195092882.db2.gz AKKHKLJAIUBPPK-UHFFFAOYSA-N 0 3 391.440 0.376 20 0 GCADHN N[C@H]1C[C@@H]2CN(CC(=O)N(Cc3ccccc3)CC(F)(F)F)CCN2C1=O ZINC000516785636 1195095491 /nfs/dbraw/zinc/09/54/91/1195095491.db2.gz QKZTWPZOGXZGOX-CABCVRRESA-N 0 3 384.402 0.821 20 0 GCADHN N[C@@H]1C[C@@H]2CN(CC(=O)N(Cc3ccccc3)CC(F)(F)F)CCN2C1=O ZINC000516785638 1195095616 /nfs/dbraw/zinc/09/56/16/1195095616.db2.gz QKZTWPZOGXZGOX-HUUCEWRRSA-N 0 3 384.402 0.821 20 0 GCADHN C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)C1=CCN(C)CC1 ZINC000664630844 1195109803 /nfs/dbraw/zinc/10/98/03/1195109803.db2.gz VUHIENQVHKWIGJ-ZDUSSCGKSA-N 0 3 382.490 0.076 20 0 GCADHN CN(C)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C[C@@H]1O ZINC000516918766 1195112388 /nfs/dbraw/zinc/11/23/88/1195112388.db2.gz ZSYBIWLTVXQRMO-ROUUACIJSA-N 0 3 391.493 0.642 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000516924047 1195113284 /nfs/dbraw/zinc/11/32/84/1195113284.db2.gz DJRKKWSZNGGGAJ-LPHOPBHVSA-N 0 3 388.512 0.559 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000516924049 1195113426 /nfs/dbraw/zinc/11/34/26/1195113426.db2.gz DJRKKWSZNGGGAJ-VQIMIIECSA-N 0 3 388.512 0.559 20 0 GCADHN CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc1C ZINC000516938919 1195115353 /nfs/dbraw/zinc/11/53/53/1195115353.db2.gz FKHBKSNDNVNKPP-TUAOUCFPSA-N 0 3 395.485 0.643 20 0 GCADHN COc1cc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc(S(C)(=O)=O)c1 ZINC000425813506 1195115644 /nfs/dbraw/zinc/11/56/44/1195115644.db2.gz AEJLCMJGOBDUSC-BLLLJJGKSA-N 0 3 395.481 0.590 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1S(C)(=O)=O ZINC000425815382 1195116331 /nfs/dbraw/zinc/11/63/31/1195116331.db2.gz DMIZSYIQTUQKKA-GXTWGEPZSA-N 0 3 395.481 0.590 20 0 GCADHN CO[C@H]1C[C@H](NCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C12CCC2 ZINC000516955862 1195117008 /nfs/dbraw/zinc/11/70/08/1195117008.db2.gz HPKULXKRJFFXQA-HOTGVXAUSA-N 0 3 379.482 0.770 20 0 GCADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425817284 1195117241 /nfs/dbraw/zinc/11/72/41/1195117241.db2.gz HAMUKWHJQMPUTP-GOEBONIOSA-N 0 3 383.456 0.851 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425818586 1195119616 /nfs/dbraw/zinc/11/96/16/1195119616.db2.gz YVONKFOGHYAXMS-SWLSCSKDSA-N 0 3 380.470 0.086 20 0 GCADHN Cc1ccc(OC[C@@H](O)CNCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000516965649 1195120706 /nfs/dbraw/zinc/12/07/06/1195120706.db2.gz FYNBXINMOLOXCJ-WMZOPIPTSA-N 0 3 386.514 0.813 20 0 GCADHN CN(C)c1ncn(-c2cccc(NC(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)c2)n1 ZINC000425822412 1195121848 /nfs/dbraw/zinc/12/18/48/1195121848.db2.gz SZVGANOXVHCRRS-WMLDXEAASA-N 0 3 397.483 0.824 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)C[C@]2(CCOC2)O1 ZINC000517015869 1195123834 /nfs/dbraw/zinc/12/38/34/1195123834.db2.gz SFABFAUBFRURMF-HLIPFELVSA-N 0 3 379.501 0.870 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000517029567 1195126324 /nfs/dbraw/zinc/12/63/24/1195126324.db2.gz VSONKZQAUUFJJN-OCCSQVGLSA-N 0 3 389.460 0.153 20 0 GCADHN CN(C)[C@H]1CN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)C[C@@H]1O ZINC000517038649 1195127127 /nfs/dbraw/zinc/12/71/27/1195127127.db2.gz IYKUSRSURYRGSU-GJZGRUSLSA-N 0 3 375.391 0.851 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000414909548 1195127824 /nfs/dbraw/zinc/12/78/24/1195127824.db2.gz DWEBGGWPJXZIOB-CYBMUJFWSA-N 0 3 385.468 0.040 20 0 GCADHN CCOC(=O)Cn1nc(C)c(CN2CCC(C(=O)NCCCO)CC2)c1C ZINC000437588973 1195129802 /nfs/dbraw/zinc/12/98/02/1195129802.db2.gz KHJZUHOXIXNFLU-UHFFFAOYSA-N 0 3 380.489 0.774 20 0 GCADHN CS(=O)(=O)CCCCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425837250 1195133154 /nfs/dbraw/zinc/13/31/54/1195133154.db2.gz KHKARNZGHPMHHR-SFHVURJKSA-N 0 3 383.514 0.747 20 0 GCADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000414910230 1195134571 /nfs/dbraw/zinc/13/45/71/1195134571.db2.gz FOWAJXDRFLQFJT-UHFFFAOYSA-N 0 3 387.484 0.241 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000517101386 1195136079 /nfs/dbraw/zinc/13/60/79/1195136079.db2.gz YIDFCUPHTZFQNB-CYBMUJFWSA-N 0 3 398.485 0.086 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000425864087 1195140390 /nfs/dbraw/zinc/14/03/90/1195140390.db2.gz AZCKRVARFCBGFV-SFHVURJKSA-N 0 3 386.562 0.109 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000517136655 1195140707 /nfs/dbraw/zinc/14/07/07/1195140707.db2.gz PSPHYECHCFMICX-DLBZAZTESA-N 0 3 383.537 0.291 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000517126563 1195141804 /nfs/dbraw/zinc/14/18/04/1195141804.db2.gz KXZBWCNPJFOLBT-INIZCTEOSA-N 0 3 397.497 0.201 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3sccc3NC(=O)c3ccncc3)CCN2C1=O ZINC000517175993 1195147223 /nfs/dbraw/zinc/14/72/23/1195147223.db2.gz KMBKJHLHCFAXKU-STQMWFEESA-N 0 3 385.449 0.779 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)n1 ZINC000517221775 1195157074 /nfs/dbraw/zinc/15/70/74/1195157074.db2.gz MIJMCOCJPVMQGD-HNNXBMFYSA-N 0 3 392.529 0.582 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCCN(C)CC2)cc1 ZINC000506140000 1195164627 /nfs/dbraw/zinc/16/46/27/1195164627.db2.gz VIEAVNQOKGGHBK-UHFFFAOYSA-N 0 3 384.502 0.458 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1ccccc1OCCO ZINC000506148537 1195169169 /nfs/dbraw/zinc/16/91/69/1195169169.db2.gz MITOYTRJEUGHCS-QGZVFWFLSA-N 0 3 377.485 0.911 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1ccccc1OCCO)N1CCC[C@@H](C)C1 ZINC000506154951 1195170298 /nfs/dbraw/zinc/17/02/98/1195170298.db2.gz DEMSHMYXOQJTSU-HZPDHXFCSA-N 0 3 377.485 0.911 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000517314566 1195170485 /nfs/dbraw/zinc/17/04/85/1195170485.db2.gz YODNKMCMDXJHKF-MSOLQXFVSA-N 0 3 390.528 0.933 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000517404039 1195177208 /nfs/dbraw/zinc/17/72/08/1195177208.db2.gz KCEZKAJLDYNHIK-GFCCVEGCSA-N 0 3 391.440 0.470 20 0 GCADHN O=C(NCc1ccccc1OCCO)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000506169016 1195178068 /nfs/dbraw/zinc/17/80/68/1195178068.db2.gz SIIFKWUYXLCILX-QGZVFWFLSA-N 0 3 375.469 0.761 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3nn(-c4ccccc4F)c4c3CCC4)CCN2C1=O ZINC000517395945 1195178416 /nfs/dbraw/zinc/17/84/16/1195178416.db2.gz WGENMIGAKKAYKA-DOMZBBRYSA-N 0 3 383.427 0.884 20 0 GCADHN CCN(CCO)CCNC(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000438000080 1195180859 /nfs/dbraw/zinc/18/08/59/1195180859.db2.gz HJXUPEKYPMPFNZ-UHFFFAOYSA-N 0 3 390.481 0.060 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000517451961 1195183730 /nfs/dbraw/zinc/18/37/30/1195183730.db2.gz ZZKARHJRCRSZHO-CVEARBPZSA-N 0 3 385.534 0.303 20 0 GCADHN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)NCCN(C)C ZINC000438104941 1195187072 /nfs/dbraw/zinc/18/70/72/1195187072.db2.gz ACMRQRBPCTXLCP-UHFFFAOYSA-N 0 3 378.473 0.927 20 0 GCADHN CCOC(=O)Cn1nc(C)c(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1C ZINC000438111648 1195187544 /nfs/dbraw/zinc/18/75/44/1195187544.db2.gz WALIQKUNOBKREY-GOSISDBHSA-N 0 3 391.516 0.801 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@H](C3CCCC3)C2)CC1 ZINC000517552410 1195190045 /nfs/dbraw/zinc/19/00/45/1195190045.db2.gz QAPXYIVMQQDBIX-SFHVURJKSA-N 0 3 390.528 0.792 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000517575959 1195193145 /nfs/dbraw/zinc/19/31/45/1195193145.db2.gz IYVOJHAUKHPXEV-OAHLLOKOSA-N 0 3 392.504 0.190 20 0 GCADHN COc1cccc(CCNC(=O)C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000517594583 1195194640 /nfs/dbraw/zinc/19/46/40/1195194640.db2.gz DPZYRALUSYMUOR-UHFFFAOYSA-N 0 3 376.501 0.498 20 0 GCADHN COC(=O)[C@@H](O)C1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000438215135 1195196074 /nfs/dbraw/zinc/19/60/74/1195196074.db2.gz LODXNIBADCPYIZ-FQEVSTJZSA-N 0 3 389.496 0.971 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)Cc3ccc(Cl)cn3)C2)OCC1=O ZINC001270319327 1195197842 /nfs/dbraw/zinc/19/78/42/1195197842.db2.gz SUBBWWOZOZGJCF-GOSISDBHSA-N 0 3 380.876 0.669 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccccc1OCCO ZINC000506207450 1195205909 /nfs/dbraw/zinc/20/59/09/1195205909.db2.gz PHNWWBOSMINUIO-SJORKVTESA-N 0 3 375.469 0.759 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2nnc(CCC(=O)OC)s2)CC1 ZINC000438334580 1195206367 /nfs/dbraw/zinc/20/63/67/1195206367.db2.gz YTHDBNAQDNINQB-ZDUSSCGKSA-N 0 3 398.533 1.039 20 0 GCADHN CN(C)CCN1CC[C@]2(CCCN2C(=O)Cc2csc(NC=O)n2)C1=O ZINC001270349427 1195219371 /nfs/dbraw/zinc/21/93/71/1195219371.db2.gz HZJVXMIPLMPQRM-QGZVFWFLSA-N 0 3 379.486 0.409 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000517819242 1195220474 /nfs/dbraw/zinc/22/04/74/1195220474.db2.gz RDXIRMYVRSYUMU-KGLIPLIRSA-N 0 3 376.457 0.726 20 0 GCADHN COC(=O)[C@](C)(CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)cc1 ZINC000517845390 1195222784 /nfs/dbraw/zinc/22/27/84/1195222784.db2.gz OFVDDAIZVCUGBN-JLTOFOAXSA-N 0 3 393.459 0.783 20 0 GCADHN CCOC(=O)[C@@H](C)N1C[C@@]2(F)CN(C(=O)CN(CC)CC)C[C@@]2(F)C1=O ZINC001270358410 1195225527 /nfs/dbraw/zinc/22/55/27/1195225527.db2.gz LOQHHXGWHVULMN-OAUYIBNBSA-N 0 3 375.416 0.381 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000517865548 1195225586 /nfs/dbraw/zinc/22/55/86/1195225586.db2.gz CKRSZYXOVNTXEU-UHFFFAOYSA-N 0 3 381.477 0.323 20 0 GCADHN COc1c2cnn(C)c2ncc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000544275655 1195231197 /nfs/dbraw/zinc/23/11/97/1195231197.db2.gz RTDFLNXNRIQQFZ-UHFFFAOYSA-N 0 3 390.488 0.097 20 0 GCADHN C[C@@H](NC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)C1=CCN(C)CC1 ZINC000517996345 1195237027 /nfs/dbraw/zinc/23/70/27/1195237027.db2.gz VEQYVQAXBGNGLY-ZBFHGGJFSA-N 0 3 387.550 0.597 20 0 GCADHN COC(=O)C1CCN(C(=O)[C@H](C)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426123518 1195241946 /nfs/dbraw/zinc/24/19/46/1195241946.db2.gz NSULHEBTWPPQSB-WCQYABFASA-N 0 3 393.406 0.787 20 0 GCADHN CN1CC(=O)N(CC(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1=O ZINC000518041770 1195242156 /nfs/dbraw/zinc/24/21/56/1195242156.db2.gz CYEUSDKEMRBQIW-UHFFFAOYSA-N 0 3 387.440 0.216 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H](NS(C)(=O)=O)[C@H](C)CC ZINC000426146752 1195246929 /nfs/dbraw/zinc/24/69/29/1195246929.db2.gz YRAZTDPRXUFLNE-SJORKVTESA-N 0 3 390.594 0.826 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)Cc1cc(S(N)(=O)=O)cn1C ZINC000426155947 1195249422 /nfs/dbraw/zinc/24/94/22/1195249422.db2.gz CNUTUSKTTSIDSG-UHFFFAOYSA-N 0 3 399.561 0.091 20 0 GCADHN COC[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000518128606 1195252316 /nfs/dbraw/zinc/25/23/16/1195252316.db2.gz QKZLBQYRPSLEDW-CQSZACIVSA-N 0 3 390.484 0.816 20 0 GCADHN CC(C)c1cnc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000426169440 1195253279 /nfs/dbraw/zinc/25/32/79/1195253279.db2.gz CYOAEMOOGMBFTJ-UHFFFAOYSA-N 0 3 393.513 0.972 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)c1cnc2n(c1=O)CCS2 ZINC000426170651 1195253584 /nfs/dbraw/zinc/25/35/84/1195253584.db2.gz QEDLFJFSZNKNSL-UHFFFAOYSA-N 0 3 379.530 0.839 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000506396778 1195257767 /nfs/dbraw/zinc/25/77/67/1195257767.db2.gz OFYFQSZGWGHTJO-DLBZAZTESA-N 0 3 386.496 0.233 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)Cc2ccccc2C1 ZINC000506400044 1195258336 /nfs/dbraw/zinc/25/83/36/1195258336.db2.gz JHUNNEPSWPAVIV-QZTJIDSGSA-N 0 3 398.507 0.471 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000664725447 1195261305 /nfs/dbraw/zinc/26/13/05/1195261305.db2.gz KOCAPGNYQDKDBB-KRWDZBQOSA-N 0 3 395.548 0.972 20 0 GCADHN CC[C@@H](C)N[C@@H](CNC(=O)NCC1(O)CCS(=O)(=O)CC1)c1ccco1 ZINC000509584187 1195262005 /nfs/dbraw/zinc/26/20/05/1195262005.db2.gz LOIVWRDPRLHHBW-KGLIPLIRSA-N 0 3 387.502 0.948 20 0 GCADHN CCN1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@@H](C)C1=O ZINC000506422800 1195264252 /nfs/dbraw/zinc/26/42/52/1195264252.db2.gz QELSOUZZAMRHRY-HNNXBMFYSA-N 0 3 386.496 0.281 20 0 GCADHN O=C(CN1CCC[C@@H]1CCO)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000426210799 1195264704 /nfs/dbraw/zinc/26/47/04/1195264704.db2.gz OKQMOCGAKOUUHX-MRXNPFEDSA-N 0 3 399.488 0.505 20 0 GCADHN O=C(CN1CCC[C@H]1CCO)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000426210798 1195264990 /nfs/dbraw/zinc/26/49/90/1195264990.db2.gz OKQMOCGAKOUUHX-INIZCTEOSA-N 0 3 399.488 0.505 20 0 GCADHN CSCC(=O)N1CCC2(C[C@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001270422373 1195275083 /nfs/dbraw/zinc/27/50/83/1195275083.db2.gz CFZKEPBGKLDHJC-INIZCTEOSA-N 0 3 382.574 0.732 20 0 GCADHN CSCC(=O)N1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001270425236 1195276768 /nfs/dbraw/zinc/27/67/68/1195276768.db2.gz WUHYSQGYJYNAJV-IBGZPJMESA-N 0 3 382.574 0.971 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000426290973 1195291445 /nfs/dbraw/zinc/29/14/45/1195291445.db2.gz QBLXNDPNRKXCDA-XHSDSOJGSA-N 0 3 379.505 0.382 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000439220993 1195296435 /nfs/dbraw/zinc/29/64/35/1195296435.db2.gz FRQZTAVVQPKSKZ-UHFFFAOYSA-N 0 3 388.468 0.652 20 0 GCADHN CN(C)C(=O)COc1cccc(NC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC000439203767 1195296509 /nfs/dbraw/zinc/29/65/09/1195296509.db2.gz IPQPLNLXYYYCKS-UHFFFAOYSA-N 0 3 376.457 0.646 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(C)cnc2OC(C)C)CC1 ZINC000296067836 1195297798 /nfs/dbraw/zinc/29/77/98/1195297798.db2.gz QVYPQZNXRUICQI-UHFFFAOYSA-N 0 3 377.489 0.869 20 0 GCADHN CC[C@H]1COC(C)(C)CN1C(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000653376476 1195299580 /nfs/dbraw/zinc/29/95/80/1195299580.db2.gz BQJNXYOLMVGZHE-IRXDYDNUSA-N 0 3 382.549 0.792 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3cc4c(cc3OC(F)F)OCO4)CCN2C1=O ZINC000518565882 1195302735 /nfs/dbraw/zinc/30/27/35/1195302735.db2.gz QTQXFROXRKOMNX-MNOVXSKESA-N 0 3 398.366 0.470 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000518609723 1195307016 /nfs/dbraw/zinc/30/70/16/1195307016.db2.gz LSMAPKBBBFTNAJ-LJQANCHMSA-N 0 3 398.507 0.945 20 0 GCADHN CC(C)Cn1c(N)c(C(=O)CN2CCN(C3CC3)C[C@H](C)C2)c(=O)n(C)c1=O ZINC000296680244 1195316728 /nfs/dbraw/zinc/31/67/28/1195316728.db2.gz IEJVOIOWHSDKMT-CQSZACIVSA-N 0 3 391.516 0.384 20 0 GCADHN C[C@@H](NS(C)(=O)=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000518682331 1195318507 /nfs/dbraw/zinc/31/85/07/1195318507.db2.gz BQIWKDKPIKJKQX-GFCCVEGCSA-N 0 3 382.486 0.260 20 0 GCADHN CN1CCN(CCCNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000518735241 1195326199 /nfs/dbraw/zinc/32/61/99/1195326199.db2.gz CWLXRHSJTSTJBM-UHFFFAOYSA-N 0 3 387.484 0.506 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000664758443 1195330146 /nfs/dbraw/zinc/33/01/46/1195330146.db2.gz JQNGPPCMEBLZDS-MRXNPFEDSA-N 0 3 387.550 0.573 20 0 GCADHN CC(C)OCCCNC(=O)C1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000509610187 1195331832 /nfs/dbraw/zinc/33/18/32/1195331832.db2.gz VDSSSBYDZDGCBV-KRWDZBQOSA-N 0 3 384.521 0.256 20 0 GCADHN Cc1cc(C)n(-c2ccc(CCNC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2)n1 ZINC000518797629 1195334275 /nfs/dbraw/zinc/33/42/75/1195334275.db2.gz BWZIMEYITNSFOG-OALUTQOASA-N 0 3 396.495 0.985 20 0 GCADHN CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000518796867 1195334374 /nfs/dbraw/zinc/33/43/74/1195334374.db2.gz CCVRWCNRRHGXTH-NWDGAFQWSA-N 0 3 379.848 0.115 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N(CCOCCO)CCN(C)C)c2ccccc2O1 ZINC000439656340 1195340192 /nfs/dbraw/zinc/34/01/92/1195340192.db2.gz ZKWJCTNCKISLIB-HNNXBMFYSA-N 0 3 379.457 0.200 20 0 GCADHN CN(C(=O)NC[C@@H]1NCCc2ccccc21)C1CCN(S(C)(=O)=O)CC1 ZINC000518941679 1195347919 /nfs/dbraw/zinc/34/79/19/1195347919.db2.gz VRPPTNYWIRDQRX-KRWDZBQOSA-N 0 3 380.514 0.939 20 0 GCADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc1 ZINC000519001003 1195356471 /nfs/dbraw/zinc/35/64/71/1195356471.db2.gz MJBJMRRKQWVIRY-DZGCQCFKSA-N 0 3 381.502 0.297 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2F)CC1=O ZINC000653388075 1195363623 /nfs/dbraw/zinc/36/36/23/1195363623.db2.gz SASNTXBRZVCUPO-UHFFFAOYSA-N 0 3 392.475 0.452 20 0 GCADHN Cc1cc(CN2CCN(C(=O)NCCCCN3CCN(C)CC3)CC2)no1 ZINC000519058911 1195364291 /nfs/dbraw/zinc/36/42/91/1195364291.db2.gz HTJVPGXSJUOWJA-UHFFFAOYSA-N 0 3 378.521 0.838 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)nc1)c1ccccc1 ZINC000550024651 1195370828 /nfs/dbraw/zinc/37/08/28/1195370828.db2.gz DRADNOZYWXUUHT-GOSISDBHSA-N 0 3 397.479 0.996 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1ccc(N2CCC2=O)cc1 ZINC000439969839 1195371162 /nfs/dbraw/zinc/37/11/62/1195371162.db2.gz TVBWRTJCXHMEMG-UHFFFAOYSA-N 0 3 389.500 0.935 20 0 GCADHN O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)[C@@H]1CCCN1C1CCCC1 ZINC000439974925 1195371407 /nfs/dbraw/zinc/37/14/07/1195371407.db2.gz YOFCQWLTHMNYCQ-SJORKVTESA-N 0 3 387.546 0.998 20 0 GCADHN CC(C)C1CCC(N2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)CC1 ZINC000439987530 1195372946 /nfs/dbraw/zinc/37/29/46/1195372946.db2.gz ZZWWPPZQWONTGD-UHFFFAOYSA-N 0 3 378.473 0.766 20 0 GCADHN COCCNCC(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000519152300 1195374103 /nfs/dbraw/zinc/37/41/03/1195374103.db2.gz NFDHDYVJOMSZEQ-LJQANCHMSA-N 0 3 388.512 0.558 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)C[C@@H]1O ZINC000519178875 1195376980 /nfs/dbraw/zinc/37/69/80/1195376980.db2.gz PXOVNESPICGGSF-CYJAXWMASA-N 0 3 393.484 0.850 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)c(OC)c1 ZINC000519192647 1195378811 /nfs/dbraw/zinc/37/88/11/1195378811.db2.gz NUEGSQMXPOWRNH-IBGZPJMESA-N 0 3 395.525 0.916 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](CO)CCOC)c2)CC1 ZINC000440089278 1195381895 /nfs/dbraw/zinc/38/18/95/1195381895.db2.gz QATXMAFRGQDLJJ-INIZCTEOSA-N 0 3 378.473 0.281 20 0 GCADHN CCCCCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(N)=O ZINC000298861927 1195384007 /nfs/dbraw/zinc/38/40/07/1195384007.db2.gz JCYXSPPPHMJJDR-UHFFFAOYSA-N 0 3 398.529 0.360 20 0 GCADHN Cc1ccccc1[C@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)C1CC1 ZINC000653396127 1195393761 /nfs/dbraw/zinc/39/37/61/1195393761.db2.gz RZRBFPYZOKXDDB-LJQANCHMSA-N 0 3 386.496 0.795 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000440239575 1195395691 /nfs/dbraw/zinc/39/56/91/1195395691.db2.gz DBWRVHVEOWNBFC-MOPGFXCFSA-N 0 3 382.549 0.835 20 0 GCADHN COCCN1CC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000519366435 1195395973 /nfs/dbraw/zinc/39/59/73/1195395973.db2.gz XXGDOYOLDGLZDU-AWEZNQCLSA-N 0 3 379.417 0.231 20 0 GCADHN CNC(=O)c1ccc(C)c(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000440265522 1195397157 /nfs/dbraw/zinc/39/71/57/1195397157.db2.gz BECCUWMWQNTUHG-UHFFFAOYSA-N 0 3 389.500 0.389 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(OC)c(OC)cc2F)CC1 ZINC000519364175 1195397819 /nfs/dbraw/zinc/39/78/19/1195397819.db2.gz UWHPQKJRORSJRI-CYBMUJFWSA-N 0 3 396.463 0.924 20 0 GCADHN CCOC(=O)c1ccsc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000440265794 1195398422 /nfs/dbraw/zinc/39/84/22/1195398422.db2.gz AZNPAPQARWUTLA-UHFFFAOYSA-N 0 3 396.513 0.959 20 0 GCADHN COC(=O)c1ccc(F)c(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000440275318 1195400041 /nfs/dbraw/zinc/40/00/41/1195400041.db2.gz ZWKLYXSKPSMFNO-UHFFFAOYSA-N 0 3 394.447 0.647 20 0 GCADHN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cn1 ZINC000440286988 1195401856 /nfs/dbraw/zinc/40/18/56/1195401856.db2.gz UBXYXVAKQFTMJA-HNNXBMFYSA-N 0 3 376.505 0.889 20 0 GCADHN CC(C)N1CCN(c2ccc(C(=O)NCCN3CCCS3(=O)=O)cc2)CC1 ZINC000299642342 1195408212 /nfs/dbraw/zinc/40/82/12/1195408212.db2.gz NQGGVLYBBCOSNG-UHFFFAOYSA-N 0 3 394.541 0.982 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)NCCc2ccc(F)cc2F)CC1 ZINC000519435184 1195408378 /nfs/dbraw/zinc/40/83/78/1195408378.db2.gz JPRVYTWDQFVTFN-UHFFFAOYSA-N 0 3 382.455 0.767 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1=O ZINC000187823131 1195422803 /nfs/dbraw/zinc/42/28/03/1195422803.db2.gz BGZLZZVWTWBDBI-DVOMOZLQSA-N 0 3 379.423 0.996 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)c3cn4ccsc4n3)C2)OCC1=O ZINC001270624580 1195422871 /nfs/dbraw/zinc/42/28/71/1195422871.db2.gz ICKZPNCCQMOGSF-KRWDZBQOSA-N 0 3 377.470 0.401 20 0 GCADHN O=C(NC[C@H]1CNCCO1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000519540628 1195427413 /nfs/dbraw/zinc/42/74/13/1195427413.db2.gz LUXCXIDVMFARPH-CQSZACIVSA-N 0 3 395.506 0.945 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NCCCn2cnc3ccccc32)CC1 ZINC000550089112 1195433012 /nfs/dbraw/zinc/43/30/12/1195433012.db2.gz NNTJWJAOAZPLCM-UHFFFAOYSA-N 0 3 387.484 0.770 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000550095043 1195433468 /nfs/dbraw/zinc/43/34/68/1195433468.db2.gz ODFMAIVCYUYKLE-GOSISDBHSA-N 0 3 380.533 0.546 20 0 GCADHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000120478946 1195438444 /nfs/dbraw/zinc/43/84/44/1195438444.db2.gz TYKNZGWFBLFAOP-GJZGRUSLSA-N 0 3 375.477 0.369 20 0 GCADHN CCc1c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[nH]c(C)c1C(N)=O ZINC000120371915 1195438697 /nfs/dbraw/zinc/43/86/97/1195438697.db2.gz LCQPMQVGJTWGQI-UHFFFAOYSA-N 0 3 375.473 0.365 20 0 GCADHN Cc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC000653411711 1195438720 /nfs/dbraw/zinc/43/87/20/1195438720.db2.gz FSVRUDXFDDAOQL-INIZCTEOSA-N 0 3 390.484 0.111 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)CCN2C1=O ZINC000519554134 1195438761 /nfs/dbraw/zinc/43/87/61/1195438761.db2.gz TVIJSPSGNZZHHX-YUTCNCBUSA-N 0 3 391.859 0.399 20 0 GCADHN C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)C(=O)NCCN1CCCCC1 ZINC000550114920 1195440329 /nfs/dbraw/zinc/44/03/29/1195440329.db2.gz IHOHNUJOURGZOT-CQSZACIVSA-N 0 3 376.457 0.271 20 0 GCADHN C[C@@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)NCCN1CCCCC1 ZINC000550134122 1195445633 /nfs/dbraw/zinc/44/56/33/1195445633.db2.gz VKGNEHMWNKRPFC-CQSZACIVSA-N 0 3 396.513 0.196 20 0 GCADHN Cc1ccc(NC(=O)CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1S(N)(=O)=O ZINC000550140586 1195447036 /nfs/dbraw/zinc/44/70/36/1195447036.db2.gz HWHUJQKZVBYZGQ-ZWKOTPCHSA-N 0 3 397.497 0.491 20 0 GCADHN NC(=O)CCN(C(=O)CN[C@@H](C1CC1)[C@]1(CO)CCCO1)c1ccc(F)cc1 ZINC000550141610 1195447544 /nfs/dbraw/zinc/44/75/44/1195447544.db2.gz ZGALWSITCDDIDA-VQTJNVASSA-N 0 3 393.459 0.944 20 0 GCADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000550141696 1195447756 /nfs/dbraw/zinc/44/77/56/1195447756.db2.gz ZHFAFARPRDKLOQ-MSOLQXFVSA-N 0 3 397.497 0.491 20 0 GCADHN COC(=O)c1cc(C2CN(C(=O)NCCN3CCN(C)C(C)(C)C3)C2)[nH]n1 ZINC000894600741 1195449861 /nfs/dbraw/zinc/44/98/61/1195449861.db2.gz FHZPJEIAVKKZDK-UHFFFAOYSA-N 0 3 378.477 0.331 20 0 GCADHN C[N@H+]1C[C@H]2CN(C(=O)NCC[N-]S(=O)(=O)c3ccc(F)cc3F)C[C@H]2C1 ZINC000894599644 1195450749 /nfs/dbraw/zinc/45/07/49/1195450749.db2.gz NZUBMWJTUOTZFA-TXEJJXNPSA-N 0 3 388.440 0.446 20 0 GCADHN C[N@@H+]1C[C@H]2CN(C(=O)NCC[N-]S(=O)(=O)c3ccc(F)cc3F)C[C@H]2C1 ZINC000894599644 1195450751 /nfs/dbraw/zinc/45/07/51/1195450751.db2.gz NZUBMWJTUOTZFA-TXEJJXNPSA-N 0 3 388.440 0.446 20 0 GCADHN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000550178943 1195454468 /nfs/dbraw/zinc/45/44/68/1195454468.db2.gz VRLLZHQRJBGEDU-JQHSSLGASA-N 0 3 377.485 0.274 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000550195641 1195458726 /nfs/dbraw/zinc/45/87/26/1195458726.db2.gz VCQIIFDUQIDAKM-UHFFFAOYSA-N 0 3 398.507 0.601 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCc1nnc2n1CCCCC2)N1CCC(C)CC1 ZINC000550203123 1195460192 /nfs/dbraw/zinc/46/01/92/1195460192.db2.gz KZGDCQASMZLPLE-MRXNPFEDSA-N 0 3 390.532 0.900 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)CN1CCN(C)CC1 ZINC000121815518 1195464726 /nfs/dbraw/zinc/46/47/26/1195464726.db2.gz SPCDSPVRETTZKF-INIZCTEOSA-N 0 3 394.541 0.840 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(N2CCCS2(=O)=O)c1)CN1CCN(C)CC1 ZINC000121863753 1195464804 /nfs/dbraw/zinc/46/48/04/1195464804.db2.gz DMSSJKZBCWXORM-INIZCTEOSA-N 0 3 394.541 0.840 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000550232449 1195467358 /nfs/dbraw/zinc/46/73/58/1195467358.db2.gz IYKPTAKKHBWCFS-QGZVFWFLSA-N 0 3 387.484 0.662 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000102047697 1195468472 /nfs/dbraw/zinc/46/84/72/1195468472.db2.gz DEDAVBPLGPUXTJ-KGLIPLIRSA-N 0 3 393.454 0.865 20 0 GCADHN COC(=O)[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC000473828950 1195471937 /nfs/dbraw/zinc/47/19/37/1195471937.db2.gz KRNVEYFLTYMWME-ARFHVFGLSA-N 0 3 382.505 0.770 20 0 GCADHN COC[C@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)n1 ZINC000426711670 1195479041 /nfs/dbraw/zinc/47/90/41/1195479041.db2.gz QKPCGHMMXMLSKD-GJZGRUSLSA-N 0 3 381.477 0.598 20 0 GCADHN O=C(NCCCN1CCOCC1)C1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426773422 1195481946 /nfs/dbraw/zinc/48/19/46/1195481946.db2.gz PCHDHUIEQGBKEU-IBGZPJMESA-N 0 3 392.544 0.690 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@@H](C)S1(=O)=O ZINC000415219954 1195493580 /nfs/dbraw/zinc/49/35/80/1195493580.db2.gz NJERDNGWNYVCPP-IUODEOHRSA-N 0 3 395.481 0.531 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 ZINC000426951998 1195494498 /nfs/dbraw/zinc/49/44/98/1195494498.db2.gz TYFVVKHTHHLYMW-UHFFFAOYSA-N 0 3 391.472 0.500 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000664865832 1195511504 /nfs/dbraw/zinc/51/15/04/1195511504.db2.gz MGGQLRXWBOZQKB-GOEBONIOSA-N 0 3 383.518 0.469 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000664865836 1195511532 /nfs/dbraw/zinc/51/15/32/1195511532.db2.gz MGGQLRXWBOZQKB-ZBFHGGJFSA-N 0 3 383.518 0.469 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CCCCO2)CC1 ZINC000507385840 1195516993 /nfs/dbraw/zinc/51/69/93/1195516993.db2.gz ZNHTZVYSIIHRPT-INIZCTEOSA-N 0 3 382.505 0.074 20 0 GCADHN COc1ccc(CCNC(=O)N2CCN(C)CC[C@@H]2C)cc1S(N)(=O)=O ZINC000507404476 1195517389 /nfs/dbraw/zinc/51/73/89/1195517389.db2.gz JQLOYDOERPQWPV-ZDUSSCGKSA-N 0 3 384.502 0.621 20 0 GCADHN CCN1CCC[C@H](NC(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)C1 ZINC000507414502 1195518857 /nfs/dbraw/zinc/51/88/57/1195518857.db2.gz PHMMFGFZLKTSNP-AWEZNQCLSA-N 0 3 384.502 0.669 20 0 GCADHN CC(=O)N[C@@H](CC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1)C(N)=O ZINC000427305052 1195526240 /nfs/dbraw/zinc/52/62/40/1195526240.db2.gz PUAUEGUYFCWQAK-ZQIUZPCESA-N 0 3 382.505 0.104 20 0 GCADHN CC(=O)N[C@@H](CC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)C(N)=O ZINC000427305050 1195526352 /nfs/dbraw/zinc/52/63/52/1195526352.db2.gz PUAUEGUYFCWQAK-CPUCHLNUSA-N 0 3 382.505 0.104 20 0 GCADHN CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000427337850 1195527150 /nfs/dbraw/zinc/52/71/50/1195527150.db2.gz WQZYESMXEFUQBO-RLFYNMQTSA-N 0 3 396.532 0.495 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 ZINC000507503872 1195527765 /nfs/dbraw/zinc/52/77/65/1195527765.db2.gz ICVRXBLGRXNDNE-UHFFFAOYSA-N 0 3 396.513 0.269 20 0 GCADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000507629637 1195541298 /nfs/dbraw/zinc/54/12/98/1195541298.db2.gz KNGWCVBEVKFHCM-GOEBONIOSA-N 0 3 391.497 0.650 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[C@H]1O ZINC000427507301 1195547446 /nfs/dbraw/zinc/54/74/46/1195547446.db2.gz SKPUNBWVHTYILL-IUODEOHRSA-N 0 3 390.440 0.324 20 0 GCADHN Cc1csc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2)n1 ZINC000519616331 1195547867 /nfs/dbraw/zinc/54/78/67/1195547867.db2.gz NWZOKCXBVIPDJP-HUUCEWRRSA-N 0 3 399.476 0.827 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000507722800 1195550495 /nfs/dbraw/zinc/55/04/95/1195550495.db2.gz DRMJRXBCHHCDGE-UHFFFAOYSA-N 0 3 390.484 0.882 20 0 GCADHN C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000664883774 1195551262 /nfs/dbraw/zinc/55/12/62/1195551262.db2.gz MUPDWNFYGLLBMW-CIQAELJKSA-N 0 3 395.548 0.478 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000664937960 1195557674 /nfs/dbraw/zinc/55/76/74/1195557674.db2.gz DBNVUSUCNCHKJV-CQSZACIVSA-N 0 3 393.463 0.592 20 0 GCADHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519644937 1195561548 /nfs/dbraw/zinc/56/15/48/1195561548.db2.gz IWOGKBHDYUIXGS-UKBAYJJMSA-N 0 3 398.507 0.833 20 0 GCADHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000519644931 1195561702 /nfs/dbraw/zinc/56/17/02/1195561702.db2.gz IWOGKBHDYUIXGS-RNIPGJKVSA-N 0 3 398.507 0.833 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)CCN2C1=O ZINC000519702694 1195564257 /nfs/dbraw/zinc/56/42/57/1195564257.db2.gz DNBHJGHUYJPTCV-BSDSXHPESA-N 0 3 384.480 0.284 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4ccccc4Cl)CC3)CCN2C1=O ZINC000519715912 1195566833 /nfs/dbraw/zinc/56/68/33/1195566833.db2.gz STPJUDBYWDUOQJ-IUODEOHRSA-N 0 3 390.871 0.258 20 0 GCADHN COCCOc1ccc(CNC(=O)NCCN2CCN(C)C(C)(C)C2)cn1 ZINC000519742583 1195567919 /nfs/dbraw/zinc/56/79/19/1195567919.db2.gz NXEUGNBQSVQTIA-UHFFFAOYSA-N 0 3 379.505 0.932 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)NCCCS(N)(=O)=O)c(C)c2)CC1 ZINC000519765700 1195568378 /nfs/dbraw/zinc/56/83/78/1195568378.db2.gz FZEBTXJVPPEVSK-UHFFFAOYSA-N 0 3 383.518 0.937 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4nc(C5CC5)oc4c3)CCN2C1=O ZINC000519770717 1195568984 /nfs/dbraw/zinc/56/89/84/1195568984.db2.gz JTEUMWNSMWAIFK-CHWSQXEVSA-N 0 3 383.408 0.414 20 0 GCADHN CCN1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@@H]1c1ncc[nH]1 ZINC000519774773 1195569833 /nfs/dbraw/zinc/56/98/33/1195569833.db2.gz OENZMHLKUFRQFZ-MRXNPFEDSA-N 0 3 390.532 0.996 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1cccc(F)c1 ZINC000519787340 1195571508 /nfs/dbraw/zinc/57/15/08/1195571508.db2.gz BOYAGUYEMOBSTJ-CQSZACIVSA-N 0 3 386.493 0.246 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCSC[C@H]3CO)cn2)CC1 ZINC000440660520 1195573504 /nfs/dbraw/zinc/57/35/04/1195573504.db2.gz AMZIUEITBCYLEO-CQSZACIVSA-N 0 3 394.497 0.429 20 0 GCADHN CC(C)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n(-c2ncccn2)n1 ZINC000519832941 1195574604 /nfs/dbraw/zinc/57/46/04/1195574604.db2.gz LPMQXCXRFZBWQA-OLZOCXBDSA-N 0 3 384.444 0.561 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Cl ZINC000519834834 1195575252 /nfs/dbraw/zinc/57/52/52/1195575252.db2.gz VLKYSPXXUGVLHE-GXSJLCMTSA-N 0 3 396.831 0.066 20 0 GCADHN CO[C@@H](CN)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000519822735 1195576206 /nfs/dbraw/zinc/57/62/06/1195576206.db2.gz JUVREXDORWSZLC-VDZJLULYSA-N 0 3 385.468 0.541 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 ZINC000415773508 1195578235 /nfs/dbraw/zinc/57/82/35/1195578235.db2.gz VZTKERANLVLIAS-SMDDNHRTSA-N 0 3 377.445 0.526 20 0 GCADHN CC(C)OCCN1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000519859395 1195578321 /nfs/dbraw/zinc/57/83/21/1195578321.db2.gz STKFKWZDAGXTNL-QGZVFWFLSA-N 0 3 382.549 0.792 20 0 GCADHN CC(C)OCCN1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000519859393 1195578555 /nfs/dbraw/zinc/57/85/55/1195578555.db2.gz STKFKWZDAGXTNL-KRWDZBQOSA-N 0 3 382.549 0.792 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000440810391 1195585124 /nfs/dbraw/zinc/58/51/24/1195585124.db2.gz VQFNMVIRLJNCKZ-MRXNPFEDSA-N 0 3 386.456 0.915 20 0 GCADHN COc1ccc(C(=O)NC[C@H]2CCCN2C)cc1S(=O)(=O)N1CCOCC1 ZINC000519979826 1195586098 /nfs/dbraw/zinc/58/60/98/1195586098.db2.gz FDSLSAIYRKNZER-OAHLLOKOSA-N 0 3 397.497 0.540 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2C[C@H](C(=O)NCCOC)CC[C@@H]2C)C1 ZINC000519987623 1195587924 /nfs/dbraw/zinc/58/79/24/1195587924.db2.gz JJRAWVSEBGWKLV-GVDBMIGSSA-N 0 3 397.516 0.651 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000440981923 1195592147 /nfs/dbraw/zinc/59/21/47/1195592147.db2.gz KWSYYQQRPHWUGI-GJZGRUSLSA-N 0 3 380.489 0.666 20 0 GCADHN CN1CCN(CCNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1(C)C ZINC000440981758 1195592317 /nfs/dbraw/zinc/59/23/17/1195592317.db2.gz OMXHCVPLNRFIJV-GFCCVEGCSA-N 0 3 379.427 0.475 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000188170289 1195595009 /nfs/dbraw/zinc/59/50/09/1195595009.db2.gz HSKDXVPEEGIGJJ-UHFFFAOYSA-N 0 3 386.493 0.790 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000416700625 1195605900 /nfs/dbraw/zinc/60/59/00/1195605900.db2.gz XWMLDFAMTOCHFK-MRXNPFEDSA-N 0 3 398.548 0.796 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[S@](=O)C3)c(C)c2)CC1 ZINC000441185114 1195610521 /nfs/dbraw/zinc/61/05/21/1195610521.db2.gz SAIGQLRKWBWMFY-RXAIFQJESA-N 0 3 392.525 0.713 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC([C@@H](O)C(=O)OC)CC2)cc1 ZINC000441223433 1195611020 /nfs/dbraw/zinc/61/10/20/1195611020.db2.gz ABMQVDOSLSBXMH-DOTOQJQBSA-N 0 3 381.425 0.459 20 0 GCADHN COC(=O)[C@@H](O)C1CCN(C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000441232079 1195615082 /nfs/dbraw/zinc/61/50/82/1195615082.db2.gz XPYDINAHHDJWBL-PBHICJAKSA-N 0 3 383.441 0.689 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000520312331 1195620285 /nfs/dbraw/zinc/62/02/85/1195620285.db2.gz ZFAJEHFDXMAOJS-UHFFFAOYSA-N 0 3 384.502 0.052 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000473901125 1195631962 /nfs/dbraw/zinc/63/19/62/1195631962.db2.gz JPLYCCRDNQWLHQ-UHFFFAOYSA-N 0 3 391.582 0.373 20 0 GCADHN CCOC(=O)Cn1cc(CN2CC[C@](CO)(COC)C2)c(-c2cnn(C)c2)n1 ZINC000894930360 1195636158 /nfs/dbraw/zinc/63/61/58/1195636158.db2.gz TUYIVGYGRXRECK-IBGZPJMESA-N 0 3 391.472 0.678 20 0 GCADHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)CCn2cnccc2=O)C1 ZINC000550342856 1195636716 /nfs/dbraw/zinc/63/67/16/1195636716.db2.gz PVTFWTXXKCPFLY-MRXNPFEDSA-N 0 3 383.452 0.969 20 0 GCADHN COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000550364369 1195644867 /nfs/dbraw/zinc/64/48/67/1195644867.db2.gz AVRDKLXSYQRSGB-IRXDYDNUSA-N 0 3 399.532 0.240 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)N1CCOCC1 ZINC000550362270 1195645423 /nfs/dbraw/zinc/64/54/23/1195645423.db2.gz LDXRQAQFQNZTJP-SOLBZPMBSA-N 0 3 380.533 0.591 20 0 GCADHN COC(=O)c1cnn(C)c1NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000550381064 1195648901 /nfs/dbraw/zinc/64/89/01/1195648901.db2.gz AJMXYLHJLDVXHU-UHFFFAOYSA-N 0 3 395.460 0.151 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)NCCCCn1ccnc1)N1CCN(C)CC1 ZINC000550383172 1195651299 /nfs/dbraw/zinc/65/12/99/1195651299.db2.gz DBEYMZMUWUPODJ-KRWDZBQOSA-N 0 3 378.521 0.168 20 0 GCADHN CC(C)[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c2ccccc21 ZINC000520430707 1195656545 /nfs/dbraw/zinc/65/65/45/1195656545.db2.gz IRLBAKZDCADIEB-STEAMIEHSA-N 0 3 398.507 0.800 20 0 GCADHN O=C(CN(CCO)C1CCOCC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000328601355 1195659605 /nfs/dbraw/zinc/65/96/05/1195659605.db2.gz FIIDJVLMBKOFQY-UHFFFAOYSA-N 0 3 381.498 0.506 20 0 GCADHN Cn1c2ccc(S(=O)(=O)N3CC[C@@]4(C3)CCCN(C)C4)cc2n(C)c1=O ZINC000328869536 1195672759 /nfs/dbraw/zinc/67/27/59/1195672759.db2.gz XSIUQOMFWPGADH-SFHVURJKSA-N 0 3 378.498 0.983 20 0 GCADHN O=C([C@H]1CN2CCN1CCC2)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000328895607 1195675144 /nfs/dbraw/zinc/67/51/44/1195675144.db2.gz BMLARTPXBQYWJU-WOJBJXKFSA-N 0 3 397.523 0.326 20 0 GCADHN CCN1C[C@H](C)N(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C ZINC000328938157 1195676209 /nfs/dbraw/zinc/67/62/09/1195676209.db2.gz DFLADWNIHAYGNP-FGTMMUONSA-N 0 3 380.533 0.641 20 0 GCADHN CCOc1ncccc1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000520438939 1195685898 /nfs/dbraw/zinc/68/58/98/1195685898.db2.gz PWYDXBVTXLZGNA-UHFFFAOYSA-N 0 3 375.473 0.930 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000330390298 1195686757 /nfs/dbraw/zinc/68/67/57/1195686757.db2.gz GIOPJRSUAZWERR-INIZCTEOSA-N 0 3 381.521 0.439 20 0 GCADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000330736675 1195707308 /nfs/dbraw/zinc/70/73/08/1195707308.db2.gz NJJCPVWKTWGJTL-QGZVFWFLSA-N 0 3 379.482 0.816 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 ZINC000330798312 1195708257 /nfs/dbraw/zinc/70/82/57/1195708257.db2.gz HVOFNRUHNCHFAK-INIZCTEOSA-N 0 3 381.498 0.874 20 0 GCADHN Cc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)cc(S(=O)(=O)N(C)C)c1C ZINC000330802476 1195708879 /nfs/dbraw/zinc/70/88/79/1195708879.db2.gz JKNYXMZRBVVOIF-MRXNPFEDSA-N 0 3 383.514 0.956 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)NCCNS(=O)(=O)N(C)C)c1 ZINC000665014268 1195718657 /nfs/dbraw/zinc/71/86/57/1195718657.db2.gz IKERHTKCQRLXNZ-UHFFFAOYSA-N 0 3 385.534 0.464 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(CS(C)(=O)=O)c2)CC1 ZINC000331139429 1195720910 /nfs/dbraw/zinc/72/09/10/1195720910.db2.gz DQXCCDHKVAOMGQ-KRWDZBQOSA-N 0 3 393.509 0.610 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000520448367 1195730807 /nfs/dbraw/zinc/73/08/07/1195730807.db2.gz DGXNKMDABLHLNM-WBMJQRKESA-N 0 3 397.476 0.645 20 0 GCADHN CSc1ccc([C@H](CNC(=O)N2CC3(C2)NC(=O)NC3=O)N(C)C)cc1 ZINC000895060006 1195740238 /nfs/dbraw/zinc/74/02/38/1195740238.db2.gz ZIEIMLUTCODXRV-ZDUSSCGKSA-N 0 3 377.470 0.615 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000458983909 1195744815 /nfs/dbraw/zinc/74/48/15/1195744815.db2.gz QSWGVWIJEVTKEQ-WMZOPIPTSA-N 0 3 398.529 0.250 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000729497313 1195744825 /nfs/dbraw/zinc/74/48/25/1195744825.db2.gz RKUDXWSELKWYEW-LZLYRXPVSA-N 0 3 384.546 0.357 20 0 GCADHN CN1CCN(C)[C@H](CNC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)C1 ZINC000536356051 1195744875 /nfs/dbraw/zinc/74/48/75/1195744875.db2.gz QTVDYFHVINKMPS-QRVBRYPASA-N 0 3 375.517 0.167 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729497164 1195745267 /nfs/dbraw/zinc/74/52/67/1195745267.db2.gz MGCLTHSQYRVGSG-HZPDHXFCSA-N 0 3 388.534 0.353 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)CCN2C1=O ZINC000579377615 1195748686 /nfs/dbraw/zinc/74/86/86/1195748686.db2.gz UAVNDRXDUAIMAC-OAGGEKHMSA-N 0 3 387.440 0.580 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCO[C@H](c2ccco2)C1 ZINC000441472101 1195749630 /nfs/dbraw/zinc/74/96/30/1195749630.db2.gz INJSKWWNMOWWQK-SFHVURJKSA-N 0 3 380.489 0.753 20 0 GCADHN O=C(NCCN1CCN(c2ccccc2)CC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729496636 1195749756 /nfs/dbraw/zinc/74/97/56/1195749756.db2.gz JZEVJMRPUAPATJ-VQTJNVASSA-N 0 3 387.528 0.971 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n(C)o1)CC(C)(C)C ZINC001719866188 1195752736 /nfs/dbraw/zinc/75/27/36/1195752736.db2.gz GXQAFZNVJCMMTR-RDBSUJKOSA-N 0 3 378.473 0.818 20 0 GCADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000550413005 1195753195 /nfs/dbraw/zinc/75/31/95/1195753195.db2.gz PWSYUGOKRIIWNB-FUHWJXTLSA-N 0 3 376.501 0.112 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000729498047 1195753728 /nfs/dbraw/zinc/75/37/28/1195753728.db2.gz UQSVVTMVSRGMDI-NVXWUHKLSA-N 0 3 376.457 0.474 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000131749714 1195762496 /nfs/dbraw/zinc/76/24/96/1195762496.db2.gz MZTCAZQKOYAMKA-SFHVURJKSA-N 0 3 394.541 0.675 20 0 GCADHN O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000729502314 1195768072 /nfs/dbraw/zinc/76/80/72/1195768072.db2.gz SBCWVTZYVDCJQL-JKSUJKDBSA-N 0 3 388.468 0.723 20 0 GCADHN O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000729502314 1195768077 /nfs/dbraw/zinc/76/80/77/1195768077.db2.gz SBCWVTZYVDCJQL-JKSUJKDBSA-N 0 3 388.468 0.723 20 0 GCADHN Cn1cccc1C(=O)N1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729504080 1195772353 /nfs/dbraw/zinc/77/23/53/1195772353.db2.gz ZOWANOHLHQZMNN-HOTGVXAUSA-N 0 3 375.473 0.356 20 0 GCADHN CN(C(=O)NCCOCCS(N)(=O)=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000665102209 1195776514 /nfs/dbraw/zinc/77/65/14/1195776514.db2.gz PJBGLTKMVFYTAT-KRWDZBQOSA-N 0 3 398.529 0.598 20 0 GCADHN C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1cccc(S(N)(=O)=O)c1 ZINC000729506204 1195776739 /nfs/dbraw/zinc/77/67/39/1195776739.db2.gz NYLPBJDCCFCWFE-QEJZJMRPSA-N 0 3 382.486 0.557 20 0 GCADHN C[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000441546065 1195781988 /nfs/dbraw/zinc/78/19/88/1195781988.db2.gz MNRDJKDMGYUQDE-BBRMVZONSA-N 0 3 376.457 0.288 20 0 GCADHN CS(=O)(=O)CC1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000895080677 1195787077 /nfs/dbraw/zinc/78/70/77/1195787077.db2.gz ONXGUAXAAQLVSI-GQGLESIBSA-N 0 3 387.546 0.830 20 0 GCADHN Nc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)nc(N2CCOCC2)n1 ZINC000520591832 1195792439 /nfs/dbraw/zinc/79/24/39/1195792439.db2.gz XQNDAEYGVRAHBL-UHFFFAOYSA-N 0 3 397.483 0.685 20 0 GCADHN Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000520611663 1195799780 /nfs/dbraw/zinc/79/97/80/1195799780.db2.gz QYFJKGREMZNEPF-IAGOWNOFSA-N 0 3 393.447 0.766 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000647993828 1195801762 /nfs/dbraw/zinc/80/17/62/1195801762.db2.gz RBWKSYDSCPIKHX-IRXDYDNUSA-N 0 3 398.529 0.533 20 0 GCADHN COc1cc2c(cc1OC)CN(CCNC(=O)NC[C@@H]1CNCCO1)CC2 ZINC000417667809 1195804780 /nfs/dbraw/zinc/80/47/80/1195804780.db2.gz JCSPMATWECQDMZ-INIZCTEOSA-N 0 3 378.473 0.350 20 0 GCADHN CCO[C@@H]1COC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000459121878 1195809515 /nfs/dbraw/zinc/80/95/15/1195809515.db2.gz RKHFBNRRPXWTRE-WJFTUGDTSA-N 0 3 377.485 0.973 20 0 GCADHN CCO[C@@H]1COC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000459121872 1195809530 /nfs/dbraw/zinc/80/95/30/1195809530.db2.gz RKHFBNRRPXWTRE-FCGDIQPGSA-N 0 3 377.485 0.973 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)C2CCCC2)CC1 ZINC000193178224 1195809795 /nfs/dbraw/zinc/80/97/95/1195809795.db2.gz BTKVRFJOEMUXOY-UHFFFAOYSA-N 0 3 384.502 0.999 20 0 GCADHN COCCOC1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CCOCC1 ZINC000895099737 1195817469 /nfs/dbraw/zinc/81/74/69/1195817469.db2.gz LQVKYXQWOBXBQM-DLBZAZTESA-N 0 3 385.505 0.439 20 0 GCADHN COCCOC1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CCOCC1 ZINC000895099740 1195817484 /nfs/dbraw/zinc/81/74/84/1195817484.db2.gz LQVKYXQWOBXBQM-IRXDYDNUSA-N 0 3 385.505 0.439 20 0 GCADHN Cc1nn(C)c(C)c1CN1CCN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000520694906 1195823981 /nfs/dbraw/zinc/82/39/81/1195823981.db2.gz CSQQXGGYJJWDKF-BXWFABGCSA-N 0 3 379.549 0.625 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC(=O)N(C)C2)c1 ZINC000474011595 1195841862 /nfs/dbraw/zinc/84/18/62/1195841862.db2.gz DNHKKEKXRHHTKH-MRXNPFEDSA-N 0 3 378.473 0.674 20 0 GCADHN COC[C@H]1C[C@@H](O)CN1C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000652823385 1195841876 /nfs/dbraw/zinc/84/18/76/1195841876.db2.gz DRPXCZJXMOWUSR-HZPDHXFCSA-N 0 3 385.468 0.785 20 0 GCADHN CCNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000459190601 1195842895 /nfs/dbraw/zinc/84/28/95/1195842895.db2.gz JEQZYCJNPYPVSR-INIZCTEOSA-N 0 3 398.529 0.631 20 0 GCADHN Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@@H](N)C(C)(C)C)CC3)C2=O)n(C)n1 ZINC000563887723 1195843907 /nfs/dbraw/zinc/84/39/07/1195843907.db2.gz APOXVNSWNHZJOB-DOTOQJQBSA-N 0 3 390.532 0.742 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1 ZINC000441779879 1195845870 /nfs/dbraw/zinc/84/58/70/1195845870.db2.gz VQSZBZMGDRGUPS-STQMWFEESA-N 0 3 392.456 0.373 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C[C@@H]1O ZINC000665202294 1195846907 /nfs/dbraw/zinc/84/69/07/1195846907.db2.gz YPHTXKPJVXIBDH-XPYUAMARSA-N 0 3 387.484 0.450 20 0 GCADHN CNC(=O)[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)Cc1ccc(F)cc1C ZINC000665202752 1195847383 /nfs/dbraw/zinc/84/73/83/1195847383.db2.gz NJYFNHSNJNDDGW-XIRDDKMYSA-N 0 3 380.464 0.355 20 0 GCADHN Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)CCO2)c1 ZINC000186100857 1195859075 /nfs/dbraw/zinc/85/90/75/1195859075.db2.gz ZYKVRXQQQDRGEL-ROUUACIJSA-N 0 3 378.521 0.628 20 0 GCADHN Cc1cc(CN2CCN(C(=O)N[C@H](C)CCN3CCN(C)CC3)CC2)on1 ZINC000186099711 1195861044 /nfs/dbraw/zinc/86/10/44/1195861044.db2.gz KBCKLHLYJFAKDR-MRXNPFEDSA-N 0 3 378.521 0.836 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1cccc(N(C)C)c1 ZINC000550445636 1195875008 /nfs/dbraw/zinc/87/50/08/1195875008.db2.gz FBRITFDFCCBUJJ-GOSISDBHSA-N 0 3 376.501 0.938 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCCCCO)cc1)[C@H]1CCCN(C)C1 ZINC000427850621 1195884780 /nfs/dbraw/zinc/88/47/80/1195884780.db2.gz ISLMVYNEKUBSDH-KRWDZBQOSA-N 0 3 390.484 0.680 20 0 GCADHN C[C@@H](CNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)CN1CCN(C)CC1 ZINC000427837739 1195885836 /nfs/dbraw/zinc/88/58/36/1195885836.db2.gz QRIVIRVGOXDLFB-KKSFZXQISA-N 0 3 388.512 0.393 20 0 GCADHN CC[C@@H](C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)N(C)C ZINC000508031834 1195886705 /nfs/dbraw/zinc/88/67/05/1195886705.db2.gz HZLNNSPGGNLQOW-IRXDYDNUSA-N 0 3 390.532 0.708 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000508049477 1195890951 /nfs/dbraw/zinc/89/09/51/1195890951.db2.gz GTNSTROCIYLMFA-HZPDHXFCSA-N 0 3 388.512 0.942 20 0 GCADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC000508206034 1195908025 /nfs/dbraw/zinc/90/80/25/1195908025.db2.gz RMYWILCKSXUTMG-UHFFFAOYSA-N 0 3 391.520 0.478 20 0 GCADHN Cc1nc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)sc1C ZINC000508304625 1195915380 /nfs/dbraw/zinc/91/53/80/1195915380.db2.gz IKCYWFWHHXTNLF-AGUYFDCRSA-N 0 3 393.513 0.898 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cn1 ZINC000508319842 1195918992 /nfs/dbraw/zinc/91/89/92/1195918992.db2.gz RDSYTWKLJQQCHG-GOOCMWNKSA-N 0 3 389.456 0.229 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CC(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000508334361 1195919456 /nfs/dbraw/zinc/91/94/56/1195919456.db2.gz KPQLMZFMHBGPFW-UHFFFAOYSA-N 0 3 396.557 0.622 20 0 GCADHN Cc1cc(C)nc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000508343240 1195920489 /nfs/dbraw/zinc/92/04/89/1195920489.db2.gz QHQVJWFJVKCNDF-MQVJKMGUSA-N 0 3 387.484 0.837 20 0 GCADHN COC(=O)c1sc2[n-]c(CN3CCN([C@@H]4CC[NH2+]C4)CC3)nc(=O)c2c1C ZINC000520813296 1195922777 /nfs/dbraw/zinc/92/27/77/1195922777.db2.gz ZBDUUSMXAPOPPR-GFCCVEGCSA-N 0 3 391.497 0.559 20 0 GCADHN CCc1cnc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)s1 ZINC000508369212 1195923796 /nfs/dbraw/zinc/92/37/96/1195923796.db2.gz LXEJWUCXFNANQN-YHWZYXNKSA-N 0 3 393.513 0.844 20 0 GCADHN Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnn1Cc1ccncc1 ZINC000520855801 1195929438 /nfs/dbraw/zinc/92/94/38/1195929438.db2.gz IDIFUWSTBFFHNO-KRWDZBQOSA-N 0 3 397.483 0.408 20 0 GCADHN COc1cc(NC(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)ncn1 ZINC000441904697 1195932222 /nfs/dbraw/zinc/93/22/22/1195932222.db2.gz HQULYFCQEMHYIT-UHFFFAOYSA-N 0 3 386.412 0.930 20 0 GCADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000441913338 1195932406 /nfs/dbraw/zinc/93/24/06/1195932406.db2.gz XMKBAVFCDPACLF-UHFFFAOYSA-N 0 3 376.457 0.888 20 0 GCADHN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC000441955052 1195934067 /nfs/dbraw/zinc/93/40/67/1195934067.db2.gz PXHJIKQYCUXMSR-UHFFFAOYSA-N 0 3 398.467 0.771 20 0 GCADHN CN(C)[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000487414445 1195937676 /nfs/dbraw/zinc/93/76/76/1195937676.db2.gz WRHPERMAZSTBDF-QWHCGFSZSA-N 0 3 390.469 0.700 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1)C1CC1 ZINC000442002262 1195938186 /nfs/dbraw/zinc/93/81/86/1195938186.db2.gz ORMWCVCRAJIHIU-UHFFFAOYSA-N 0 3 387.419 0.828 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCCCCC2)c1 ZINC000520936823 1195940003 /nfs/dbraw/zinc/94/00/03/1195940003.db2.gz NIUYKWDMRNQJSG-UHFFFAOYSA-N 0 3 382.486 0.525 20 0 GCADHN CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000442011780 1195941923 /nfs/dbraw/zinc/94/19/23/1195941923.db2.gz MFTHRHRTEFAPNB-CYBMUJFWSA-N 0 3 391.472 0.334 20 0 GCADHN O=C(NC[C@H]1CNCCO1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000521027646 1195954851 /nfs/dbraw/zinc/95/48/51/1195954851.db2.gz HGESBPJLSMPLKQ-CYBMUJFWSA-N 0 3 386.429 0.782 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cc(Cl)ccc1Cl ZINC000521070684 1195959663 /nfs/dbraw/zinc/95/96/63/1195959663.db2.gz BPXDBPVGZYUFDN-CHIMOYNISA-N 0 3 399.278 0.941 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000521101856 1195962188 /nfs/dbraw/zinc/96/21/88/1195962188.db2.gz XDBXXFDPVXMSLY-SJORKVTESA-N 0 3 382.549 0.792 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@@H]3CCNC3=O)cc2)CC1 ZINC000442249490 1195965295 /nfs/dbraw/zinc/96/52/95/1195965295.db2.gz HBDPWJJLSOMRPF-QGZVFWFLSA-N 0 3 387.484 0.110 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H]3CO)c2)CC1 ZINC000442250754 1195965961 /nfs/dbraw/zinc/96/59/61/1195965961.db2.gz CLKOKLVHUKMQLW-MSOLQXFVSA-N 0 3 390.484 0.110 20 0 GCADHN CNC(=O)COc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1OC ZINC000521141851 1195966122 /nfs/dbraw/zinc/96/61/22/1195966122.db2.gz INZNLARIRJTGKR-UHFFFAOYSA-N 0 3 392.500 0.530 20 0 GCADHN CN(C)CCN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C1CCCCC1 ZINC000521149491 1195967320 /nfs/dbraw/zinc/96/73/20/1195967320.db2.gz CVVKENLMWQWEDT-UHFFFAOYSA-N 0 3 389.500 0.912 20 0 GCADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000442334617 1195977149 /nfs/dbraw/zinc/97/71/49/1195977149.db2.gz MWROSGSSYVHZIQ-CQSZACIVSA-N 0 3 388.468 0.907 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c1C ZINC000442335383 1195977390 /nfs/dbraw/zinc/97/73/90/1195977390.db2.gz MORDOCBRLOFSCC-CYBMUJFWSA-N 0 3 394.497 0.656 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C)C1=CCN(C)CC1 ZINC000442340277 1195979482 /nfs/dbraw/zinc/97/94/82/1195979482.db2.gz JNQZYLPGNVMZGR-ZDUSSCGKSA-N 0 3 394.497 0.642 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000550457963 1195980518 /nfs/dbraw/zinc/98/05/18/1195980518.db2.gz JOMYTNANFOTWCX-DLBZAZTESA-N 0 3 382.549 0.696 20 0 GCADHN CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)n1 ZINC000521281156 1195983492 /nfs/dbraw/zinc/98/34/92/1195983492.db2.gz KCGPVVVHTULLGX-PXAZEXFGSA-N 0 3 399.517 0.679 20 0 GCADHN CC(C)(CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000521273698 1195984452 /nfs/dbraw/zinc/98/44/52/1195984452.db2.gz ATZARSYUYXVELQ-LSDHHAIUSA-N 0 3 388.468 0.689 20 0 GCADHN C[C@@H]1[C@H](C(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@]34C[C@H]3CCC4)n2)CC[N@@H+]1C ZINC000984140173 1195987105 /nfs/dbraw/zinc/98/71/05/1195987105.db2.gz JVBRPDLJFRKWKR-ZCVOSGHJSA-N 0 3 387.484 0.945 20 0 GCADHN C[C@@H]1[C@H](C(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@]34C[C@H]3CCC4)n2)CC[N@H+]1C ZINC000984140173 1195987107 /nfs/dbraw/zinc/98/71/07/1195987107.db2.gz JVBRPDLJFRKWKR-ZCVOSGHJSA-N 0 3 387.484 0.945 20 0 GCADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000521355851 1195989995 /nfs/dbraw/zinc/98/99/95/1195989995.db2.gz GQMSMQZAYYZHII-LJQANCHMSA-N 0 3 383.489 0.357 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)Cc3ccc(OCc4ccccn4)cc3)CCN2C1=O ZINC000521371548 1195991953 /nfs/dbraw/zinc/99/19/53/1195991953.db2.gz GZXSDEFUUBADBA-MJGOQNOKSA-N 0 3 380.448 0.974 20 0 GCADHN O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001271046964 1195993821 /nfs/dbraw/zinc/99/38/21/1195993821.db2.gz HWBKCCHABFHIPH-VQJWOFKYSA-N 0 3 378.391 0.417 20 0 GCADHN COCCCNC(=O)C1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000442591557 1195994686 /nfs/dbraw/zinc/99/46/86/1195994686.db2.gz IOQREHSKMCMYNG-UHFFFAOYSA-N 0 3 397.564 0.587 20 0 GCADHN CN1CCN(CCNC(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC1(C)C ZINC000442611211 1195995506 /nfs/dbraw/zinc/99/55/06/1195995506.db2.gz RFGGOFNHNHUEDI-ZDUSSCGKSA-N 0 3 384.443 0.330 20 0 GCADHN COCCNC(=O)[C@H](CC(C)C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442612871 1195995583 /nfs/dbraw/zinc/99/55/83/1195995583.db2.gz ZWMLVKWYAZLAFI-INIZCTEOSA-N 0 3 385.553 0.489 20 0 GCADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000521585898 1196003942 /nfs/dbraw/zinc/00/39/42/1196003942.db2.gz FDJAGRWVOLVZHK-KCYZZUKISA-N 0 3 385.530 0.797 20 0 GCADHN C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000521571358 1196004233 /nfs/dbraw/zinc/00/42/33/1196004233.db2.gz HPBDQZZTFDKURZ-IEBWSBKVSA-N 0 3 385.512 0.984 20 0 GCADHN O=S(=O)(NCC1CCN(CCO)CC1)c1ccccc1Cn1ccnc1 ZINC000442953572 1196012513 /nfs/dbraw/zinc/01/25/13/1196012513.db2.gz YDURPGORUKZZRE-UHFFFAOYSA-N 0 3 378.498 0.914 20 0 GCADHN COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000442958149 1196013117 /nfs/dbraw/zinc/01/31/17/1196013117.db2.gz VWDGIUHEFRFSPM-UHFFFAOYSA-N 0 3 381.498 0.932 20 0 GCADHN CCOC(=O)c1ccccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000442989548 1196015575 /nfs/dbraw/zinc/01/55/75/1196015575.db2.gz KHGCEVXBZJOBLZ-CQSZACIVSA-N 0 3 397.497 0.729 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)CC1(C)C ZINC000443120776 1196021276 /nfs/dbraw/zinc/02/12/76/1196021276.db2.gz PSBRRCSWRGXYQQ-UHFFFAOYSA-N 0 3 379.436 0.005 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc([S@@](C)=O)c(F)c2)CC1(C)C ZINC000443123109 1196021386 /nfs/dbraw/zinc/02/13/86/1196021386.db2.gz JKNPGVPBUVOFOZ-HHHXNRCGSA-N 0 3 398.504 0.644 20 0 GCADHN COCCc1ccccc1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443125030 1196021492 /nfs/dbraw/zinc/02/14/92/1196021492.db2.gz DJULINOBBQJRAZ-UHFFFAOYSA-N 0 3 376.501 0.956 20 0 GCADHN O=C([C@@H]1CNCc2ccccc21)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000521872109 1196021815 /nfs/dbraw/zinc/02/18/15/1196021815.db2.gz XATOZBMNSGCKBU-SJLPKXTDSA-N 0 3 393.509 0.526 20 0 GCADHN O=C([C@H]1CNCc2ccccc21)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000521872110 1196021860 /nfs/dbraw/zinc/02/18/60/1196021860.db2.gz XATOZBMNSGCKBU-WMZOPIPTSA-N 0 3 393.509 0.526 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2c[nH]nc2-c2nccs2)CC1(C)C ZINC000443129841 1196021873 /nfs/dbraw/zinc/02/18/73/1196021873.db2.gz MRMOAOMZOCZBKG-UHFFFAOYSA-N 0 3 391.501 0.614 20 0 GCADHN CN1C(=O)Cc2cc(NC(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)ccc21 ZINC000443113283 1196022482 /nfs/dbraw/zinc/02/24/82/1196022482.db2.gz HZHBNFPHJUKNDT-UHFFFAOYSA-N 0 3 387.484 0.286 20 0 GCADHN Cn1nc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1OC(F)F ZINC000443134776 1196023144 /nfs/dbraw/zinc/02/31/44/1196023144.db2.gz WWEDHOVACPDOPX-UHFFFAOYSA-N 0 3 388.419 0.102 20 0 GCADHN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000443237097 1196029126 /nfs/dbraw/zinc/02/91/26/1196029126.db2.gz BOPNEGGGSHWWRL-MLGOLLRUSA-N 0 3 389.456 0.134 20 0 GCADHN O=C(Cc1ccccc1Cl)N1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000521986466 1196030168 /nfs/dbraw/zinc/03/01/68/1196030168.db2.gz GZTHNFLZLHMMIN-OAHLLOKOSA-N 0 3 380.876 0.725 20 0 GCADHN C[C@H](NC(=O)C(=O)N(C)CCN1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000550465863 1196032998 /nfs/dbraw/zinc/03/29/98/1196032998.db2.gz HFPXOCAPCSFQHJ-ZDUSSCGKSA-N 0 3 382.486 0.065 20 0 GCADHN CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000522013441 1196034504 /nfs/dbraw/zinc/03/45/04/1196034504.db2.gz DELSGCLZFHMAHF-IHRRRGAJSA-N 0 3 376.461 0.199 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)c1 ZINC000522014129 1196035775 /nfs/dbraw/zinc/03/57/75/1196035775.db2.gz KNLFLJIXBHSSBT-CQSZACIVSA-N 0 3 396.513 0.770 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3nc4c(s3)CCCCC4)CCN2C1=O ZINC000522015205 1196036194 /nfs/dbraw/zinc/03/61/94/1196036194.db2.gz UAAJPLBFFPKWKC-GHMZBOCLSA-N 0 3 377.470 0.121 20 0 GCADHN Cc1sc2ncn(CCC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c(=O)c2c1C ZINC000522015096 1196036312 /nfs/dbraw/zinc/03/63/12/1196036312.db2.gz SAXHTPPPJPHEBH-OLZOCXBDSA-N 0 3 389.481 0.235 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000443291916 1196036818 /nfs/dbraw/zinc/03/68/18/1196036818.db2.gz BSGXFEIZEHOHEE-HNNXBMFYSA-N 0 3 380.474 0.033 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000443303416 1196037619 /nfs/dbraw/zinc/03/76/19/1196037619.db2.gz RRMXIGNKPLUIOR-HNNXBMFYSA-N 0 3 379.482 0.899 20 0 GCADHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000443331524 1196038818 /nfs/dbraw/zinc/03/88/18/1196038818.db2.gz VYJNVDBQFWPMLG-BRWVUGGUSA-N 0 3 382.549 0.527 20 0 GCADHN COC[C@@](C)(O)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000522118765 1196044984 /nfs/dbraw/zinc/04/49/84/1196044984.db2.gz MGJXBCANLHCJII-FQEVSTJZSA-N 0 3 378.517 0.891 20 0 GCADHN CC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000550474278 1196050764 /nfs/dbraw/zinc/05/07/64/1196050764.db2.gz ITIHUEPUUNPTBT-UHFFFAOYSA-N 0 3 392.475 0.843 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000522188822 1196057778 /nfs/dbraw/zinc/05/77/78/1196057778.db2.gz RRQCCPKTPLQPDG-CJNGLKHVSA-N 0 3 397.545 0.980 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)CCN1CCN1C(=O)CNC1=O ZINC001087665968 1196058989 /nfs/dbraw/zinc/05/89/89/1196058989.db2.gz UAKZKGKPMAJJBA-DLTWYDFYSA-N 0 3 378.473 0.322 20 0 GCADHN O=C(CN[C@H](C1CC1)[C@]1(CO)CCCO1)NCCCN1CCCCCC1=O ZINC000550502828 1196060989 /nfs/dbraw/zinc/06/09/89/1196060989.db2.gz SYDLHDAGTRDSTF-WOJBJXKFSA-N 0 3 381.517 0.805 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000443493138 1196061325 /nfs/dbraw/zinc/06/13/25/1196061325.db2.gz SFSNWEDAIWFIOY-UHFFFAOYSA-N 0 3 394.501 0.391 20 0 GCADHN CN(C)[C@H](CNC(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000428280407 1196061422 /nfs/dbraw/zinc/06/14/22/1196061422.db2.gz NLNZXQAXUNVTET-MRXNPFEDSA-N 0 3 395.485 0.696 20 0 GCADHN CC1CCN(S(=O)(=O)c2cc(CO)ccc2NCCN(C)CCO)CC1 ZINC000895243971 1196065414 /nfs/dbraw/zinc/06/54/14/1196065414.db2.gz ZKQQEXYZVMSJAU-UHFFFAOYSA-N 0 3 385.530 0.936 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CCN1CCc1ccnn1C ZINC001087723946 1196066496 /nfs/dbraw/zinc/06/64/96/1196066496.db2.gz NUKJBCBGECFXAM-MLHJIOFPSA-N 0 3 391.516 0.568 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000522251326 1196067212 /nfs/dbraw/zinc/06/72/12/1196067212.db2.gz HFPWHJJDQTUREG-UHFFFAOYSA-N 0 3 388.472 0.937 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCN1CCN1C(=O)CCC1=O ZINC001087728973 1196068413 /nfs/dbraw/zinc/06/84/13/1196068413.db2.gz ANXLNQWHKBBFLX-CBBWQLFWSA-N 0 3 378.473 0.006 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCN1CCn1nc(C)nc1C ZINC001087729705 1196068754 /nfs/dbraw/zinc/06/87/54/1196068754.db2.gz RPFYIMPKTNMYDT-LTIDMASMSA-N 0 3 376.505 0.766 20 0 GCADHN COC(=O)c1nc2nc(C)cc(NCCCCN3CCN(CCO)CC3)n2n1 ZINC000522263395 1196069638 /nfs/dbraw/zinc/06/96/38/1196069638.db2.gz SPEGCWRMUAEOPM-UHFFFAOYSA-N 0 3 391.476 0.021 20 0 GCADHN CCn1nc(C)c(CNC(=O)NCCCCN2CCN(CCO)CC2)c1C ZINC000522267644 1196070612 /nfs/dbraw/zinc/07/06/12/1196070612.db2.gz JKXYZRYEPXNBDI-UHFFFAOYSA-N 0 3 380.537 0.709 20 0 GCADHN Cc1cc(C(F)(F)F)c(=O)n(CN2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000840003308 1196071714 /nfs/dbraw/zinc/07/17/14/1196071714.db2.gz LKARIOPMRJKQNU-UHFFFAOYSA-N 0 3 387.406 0.768 20 0 GCADHN COc1cc(CN2C[C@@H](O)C[C@@]2(C)CO)ccc1OCC(=O)N1CCOCC1 ZINC000895327686 1196082811 /nfs/dbraw/zinc/08/28/11/1196082811.db2.gz PHBOPBCCWFDKDR-JXFKEZNVSA-N 0 3 394.468 0.250 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000550567989 1196088402 /nfs/dbraw/zinc/08/84/02/1196088402.db2.gz KROADPLYQOXXDE-UHFFFAOYSA-N 0 3 391.516 0.581 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)CC1=O ZINC000114178947 1196096014 /nfs/dbraw/zinc/09/60/14/1196096014.db2.gz JJMWCMYERBJYKD-AEFFLSMTSA-N 0 3 386.496 0.403 20 0 GCADHN OCCN1CCN(CCCCNc2cc(N3CCC[C@H](CO)C3)ncn2)CC1 ZINC000114450919 1196099138 /nfs/dbraw/zinc/09/91/38/1196099138.db2.gz BZVJBCSFYZYCKB-SFHVURJKSA-N 0 3 392.548 0.487 20 0 GCADHN C[C@@H]1Oc2ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc2NC1=O ZINC000665394951 1196099938 /nfs/dbraw/zinc/09/99/38/1196099938.db2.gz XYMPKMALOFKMLF-LBPRGKRZSA-N 0 3 377.445 0.890 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCCc1cn2ccccc2n1 ZINC000114585307 1196106359 /nfs/dbraw/zinc/10/63/59/1196106359.db2.gz ASPVGCUIHHUELH-UHFFFAOYSA-N 0 3 388.516 0.566 20 0 GCADHN CO[C@@]1(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCS(=O)(=O)C1 ZINC000895740337 1196110652 /nfs/dbraw/zinc/11/06/52/1196110652.db2.gz RLBFGTOZDNQSIT-IBGZPJMESA-N 0 3 395.525 0.254 20 0 GCADHN CC1(C)CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@]2(CCOC2)O1 ZINC000474384580 1196113502 /nfs/dbraw/zinc/11/35/02/1196113502.db2.gz POKDBFAQTSSMGM-FQEVSTJZSA-N 0 3 398.548 0.356 20 0 GCADHN CC[C@H]1COCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000522436763 1196116430 /nfs/dbraw/zinc/11/64/30/1196116430.db2.gz ATBJQHKJMWQKJF-AWEZNQCLSA-N 0 3 390.440 0.732 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1(C(N)=O)CCCC1 ZINC000522439226 1196118521 /nfs/dbraw/zinc/11/85/21/1196118521.db2.gz KKUSWNJXKFSKLR-UHFFFAOYSA-N 0 3 376.457 0.857 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H](CO)c1cccc(F)c1 ZINC000522443075 1196121385 /nfs/dbraw/zinc/12/13/85/1196121385.db2.gz POVGLPNEQAIHAK-GOSISDBHSA-N 0 3 382.480 0.548 20 0 GCADHN CCCNC(=O)[C@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000522442158 1196121500 /nfs/dbraw/zinc/12/15/00/1196121500.db2.gz CVWGDBORECEKBW-IRXDYDNUSA-N 0 3 395.548 0.877 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000522445073 1196122958 /nfs/dbraw/zinc/12/29/58/1196122958.db2.gz SMBLRVRGNCPQKX-CABCVRRESA-N 0 3 382.509 0.019 20 0 GCADHN COc1ncc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1C(N)=O ZINC000474573929 1196126204 /nfs/dbraw/zinc/12/62/04/1196126204.db2.gz BWYHFYFHTDNDLU-HXUWFJFHSA-N 0 3 399.451 0.948 20 0 GCADHN CC(C)(C)N1CCC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000896155638 1196129116 /nfs/dbraw/zinc/12/91/16/1196129116.db2.gz GRXIDUCRONGXIO-INIZCTEOSA-N 0 3 378.517 0.790 20 0 GCADHN CN1CCN(C(=O)N2CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)CC2)CC1 ZINC000896234389 1196134062 /nfs/dbraw/zinc/13/40/62/1196134062.db2.gz MPPXEWRLNSWXTR-UHFFFAOYSA-N 0 3 383.456 0.597 20 0 GCADHN CN1CCC[C@H]1c1cc(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)[nH]n1 ZINC000896228016 1196135408 /nfs/dbraw/zinc/13/54/08/1196135408.db2.gz BDZHNTSYFBWHHA-KRWDZBQOSA-N 0 3 389.504 0.302 20 0 GCADHN CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000116389163 1196136595 /nfs/dbraw/zinc/13/65/95/1196136595.db2.gz PIZHQUPRHGLVID-LJQANCHMSA-N 0 3 387.528 0.962 20 0 GCADHN CC1(C)NC(=O)N(CCN2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4COC5)C[C@@H]3C2)C1=O ZINC001087973844 1196144223 /nfs/dbraw/zinc/14/42/23/1196144223.db2.gz VTVAGUMLTCBDNP-XGKMFUNXSA-N 0 3 390.484 0.134 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)c3cnn(C[C@@H](O)CO)c3)c(C)c2)CC1 ZINC000665444754 1196144685 /nfs/dbraw/zinc/14/46/85/1196144685.db2.gz WYIGQTTXQLGOCF-GOSISDBHSA-N 0 3 387.484 0.939 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1COCCN1CC1CCC1 ZINC000474720445 1196145826 /nfs/dbraw/zinc/14/58/26/1196145826.db2.gz BVUIZLUIGOOGLD-QZTJIDSGSA-N 0 3 380.533 0.546 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000474787170 1196150817 /nfs/dbraw/zinc/15/08/17/1196150817.db2.gz FWZIOMQNOCIGPV-CVYDXHPNSA-N 0 3 397.589 0.854 20 0 GCADHN CCOC(=O)c1cnn2c1nccc2C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000474800002 1196150880 /nfs/dbraw/zinc/15/08/80/1196150880.db2.gz RAJPBKSUXSKSOH-CQSZACIVSA-N 0 3 388.472 0.662 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000474802411 1196151339 /nfs/dbraw/zinc/15/13/39/1196151339.db2.gz QMXYYVWVYPTBJI-UHFFFAOYSA-N 0 3 393.532 0.773 20 0 GCADHN CC(C)(C)N1CC[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000896506441 1196151934 /nfs/dbraw/zinc/15/19/34/1196151934.db2.gz ODXLUCXTWIVKRI-MRXNPFEDSA-N 0 3 388.516 0.835 20 0 GCADHN CN1CC[C@H]2OCCN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)[C@H]2C1 ZINC000329000772 1196155538 /nfs/dbraw/zinc/15/55/38/1196155538.db2.gz XIUSKIWOJCFZNX-ZWKOTPCHSA-N 0 3 396.447 0.555 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1 ZINC000329030534 1196157631 /nfs/dbraw/zinc/15/76/31/1196157631.db2.gz PMUNBZRTFKCBBX-IRXDYDNUSA-N 0 3 395.525 0.903 20 0 GCADHN C[C@@H](NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1CN(C)CCN1C ZINC000896553156 1196162456 /nfs/dbraw/zinc/16/24/56/1196162456.db2.gz RVMHLTJBHDVLRO-NVXWUHKLSA-N 0 3 397.564 0.726 20 0 GCADHN C[C@H](NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1CN(C)CCN1C ZINC000896553135 1196162592 /nfs/dbraw/zinc/16/25/92/1196162592.db2.gz RVMHLTJBHDVLRO-DOTOQJQBSA-N 0 3 397.564 0.726 20 0 GCADHN C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CN(C)CCN1C ZINC000896553826 1196162688 /nfs/dbraw/zinc/16/26/88/1196162688.db2.gz BUSVLNSKWQWUAS-IAGOWNOFSA-N 0 3 397.564 0.680 20 0 GCADHN CCCN1CCN(c2ccccc2CN2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000329090076 1196162847 /nfs/dbraw/zinc/16/28/47/1196162847.db2.gz IVSKYXVREAYUMH-GOSISDBHSA-N 0 3 385.512 0.361 20 0 GCADHN C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CN(C)CCN1C ZINC000896553827 1196162886 /nfs/dbraw/zinc/16/28/86/1196162886.db2.gz BUSVLNSKWQWUAS-IRXDYDNUSA-N 0 3 397.564 0.680 20 0 GCADHN O=C(N1CCCC1)[C@@]1(O)CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000329136835 1196167127 /nfs/dbraw/zinc/16/71/27/1196167127.db2.gz RECJGEUONRRIGQ-LJQANCHMSA-N 0 3 378.473 0.505 20 0 GCADHN CC(=O)N1CCC[C@@](O)(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000329142729 1196167993 /nfs/dbraw/zinc/16/79/93/1196167993.db2.gz VEJMDASIWAAMPH-YRNRMSPPSA-N 0 3 381.517 0.708 20 0 GCADHN CC(=O)N1CCC[C@](O)(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000329142727 1196168065 /nfs/dbraw/zinc/16/80/65/1196168065.db2.gz VEJMDASIWAAMPH-JXXFODFXSA-N 0 3 381.517 0.708 20 0 GCADHN O=C(N[C@H](CO)CN1CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000329166931 1196171405 /nfs/dbraw/zinc/17/14/05/1196171405.db2.gz IHILSPMGGWVFBG-INIZCTEOSA-N 0 3 381.498 0.803 20 0 GCADHN O=S1(=O)C[C@H](N2CCOCC2)[C@H](NC2CCN(c3ccccc3)CC2)C1 ZINC000329225513 1196177895 /nfs/dbraw/zinc/17/78/95/1196177895.db2.gz GJEOSCHUYBQUNV-MOPGFXCFSA-N 0 3 379.526 0.743 20 0 GCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000896600735 1196179385 /nfs/dbraw/zinc/17/93/85/1196179385.db2.gz XVDXOTXMESFWRS-NWDGAFQWSA-N 0 3 389.378 0.889 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000329249474 1196179868 /nfs/dbraw/zinc/17/98/68/1196179868.db2.gz ASMMBGJXBUDHTA-ZWKOTPCHSA-N 0 3 378.517 0.395 20 0 GCADHN C[C@@H]1[C@H](NC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CCN1C ZINC000896618408 1196184423 /nfs/dbraw/zinc/18/44/23/1196184423.db2.gz PSPQQSNBGIPBCC-UMVBOHGHSA-N 0 3 395.504 0.598 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000474893701 1196188599 /nfs/dbraw/zinc/18/85/99/1196188599.db2.gz FKXQEKFZMSNQRE-UHFFFAOYSA-N 0 3 399.513 0.962 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 ZINC000329379109 1196190582 /nfs/dbraw/zinc/19/05/82/1196190582.db2.gz MUNHEUMIJGJPCL-KBPBESRZSA-N 0 3 392.422 0.015 20 0 GCADHN COC(=O)c1cc(C2CN(C(=O)NC[C@@H]3CCN3C3CCOCC3)C2)[nH]n1 ZINC000896749362 1196203208 /nfs/dbraw/zinc/20/32/08/1196203208.db2.gz PYWRDKRCGAHEAI-AWEZNQCLSA-N 0 3 377.445 0.558 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cn(C3CCOCC3)nn2)CC1 ZINC000329581478 1196206852 /nfs/dbraw/zinc/20/68/52/1196206852.db2.gz QAPZBYVFEVJVGO-INIZCTEOSA-N 0 3 376.461 0.008 20 0 GCADHN Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H]1CCCCO1 ZINC000329581600 1196207057 /nfs/dbraw/zinc/20/70/57/1196207057.db2.gz AFTJCBHXSIMJJO-DLBZAZTESA-N 0 3 376.505 0.898 20 0 GCADHN O=C([C@@H](C1CC1)N1CCCC1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329603141 1196209164 /nfs/dbraw/zinc/20/91/64/1196209164.db2.gz YJGOIRKGLFWRLV-DLBZAZTESA-N 0 3 385.530 0.514 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cn(Cc3ccccn3)nn2)CC1 ZINC000329643454 1196214878 /nfs/dbraw/zinc/21/48/78/1196214878.db2.gz YUCHWRXUHVCICY-UHFFFAOYSA-N 0 3 383.456 0.102 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c(C)o1 ZINC000443870954 1196223147 /nfs/dbraw/zinc/22/31/47/1196223147.db2.gz VVAYOXKTXKHARA-CQSZACIVSA-N 0 3 385.486 0.823 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCN(Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000475029762 1196226042 /nfs/dbraw/zinc/22/60/42/1196226042.db2.gz PZPHRVYZCNQPHL-FQEVSTJZSA-N 0 3 384.528 0.957 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)CCO1 ZINC000522665214 1196228023 /nfs/dbraw/zinc/22/80/23/1196228023.db2.gz UGGHLOUBZUWRPF-ZDUSSCGKSA-N 0 3 380.411 0.902 20 0 GCADHN CS(=O)(=O)N1CCN(CC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000329887048 1196236287 /nfs/dbraw/zinc/23/62/87/1196236287.db2.gz WYHKWEMWUMQKMY-UHFFFAOYSA-N 0 3 386.562 0.288 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000329954308 1196242062 /nfs/dbraw/zinc/24/20/62/1196242062.db2.gz NUFIGUHSKABELU-ORAYPTAESA-N 0 3 378.473 0.623 20 0 GCADHN Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000330035252 1196247835 /nfs/dbraw/zinc/24/78/35/1196247835.db2.gz XENSSMYSFFPMSO-UHFFFAOYSA-N 0 3 399.499 0.603 20 0 GCADHN CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCCCS3(=O)=O)CC2)nc1 ZINC000330089734 1196251822 /nfs/dbraw/zinc/25/18/22/1196251822.db2.gz OXWBCNGUIQQJMX-INIZCTEOSA-N 0 3 380.514 0.759 20 0 GCADHN Cn1cnc2c(c1=O)CCN(C(=O)CCN1CCN(c3ccccc3)CC1)C2 ZINC000330094698 1196252178 /nfs/dbraw/zinc/25/21/78/1196252178.db2.gz UBSLFZNOHHIBKP-UHFFFAOYSA-N 0 3 381.480 0.877 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CCO1 ZINC000330112769 1196253383 /nfs/dbraw/zinc/25/33/83/1196253383.db2.gz RULVZFUXEDTFCT-NUJGCVRESA-N 0 3 391.516 0.897 20 0 GCADHN CC(C)n1cnnc1SCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330127228 1196254831 /nfs/dbraw/zinc/25/48/31/1196254831.db2.gz MRSBWEPQANIFQI-AWEZNQCLSA-N 0 3 380.518 0.716 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330130305 1196254973 /nfs/dbraw/zinc/25/49/73/1196254973.db2.gz OWLHCWPALOBSCI-OAGGEKHMSA-N 0 3 379.505 0.387 20 0 GCADHN CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330132748 1196255167 /nfs/dbraw/zinc/25/51/67/1196255167.db2.gz QQFBFPTWAVTVSH-SJORKVTESA-N 0 3 378.517 0.789 20 0 GCADHN CO[C@@H](C)c1noc(CCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000330156763 1196256862 /nfs/dbraw/zinc/25/68/62/1196256862.db2.gz PAJLCNPDGTYVRW-UONOGXRCSA-N 0 3 379.461 0.475 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000330216566 1196259903 /nfs/dbraw/zinc/25/99/03/1196259903.db2.gz NGGZMISKBKSGDG-OAHLLOKOSA-N 0 3 382.486 0.751 20 0 GCADHN CCn1cc(-c2n[nH]cc2C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000330259926 1196261784 /nfs/dbraw/zinc/26/17/84/1196261784.db2.gz SJMDDPYHUBAPJV-MRXNPFEDSA-N 0 3 385.472 0.672 20 0 GCADHN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C[C@@H]1CCOC1 ZINC000330259127 1196262138 /nfs/dbraw/zinc/26/21/38/1196262138.db2.gz NCJMYDBDAWXDFY-HNNXBMFYSA-N 0 3 399.488 0.627 20 0 GCADHN CC(C)n1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000280935876 1196267183 /nfs/dbraw/zinc/26/71/83/1196267183.db2.gz FHAVWPSVWGFHJO-AWEZNQCLSA-N 0 3 376.461 0.168 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000281153212 1196281256 /nfs/dbraw/zinc/28/12/56/1196281256.db2.gz WMKLLBRWKAJBQQ-CQSZACIVSA-N 0 3 398.533 0.479 20 0 GCADHN CC(C)C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001271278912 1196295576 /nfs/dbraw/zinc/29/55/76/1196295576.db2.gz UFQUEGCWAXYTDS-JHDROBOHSA-N 0 3 381.517 0.779 20 0 GCADHN COCC[C@H](CO)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000281458908 1196297062 /nfs/dbraw/zinc/29/70/62/1196297062.db2.gz HIAKKEVNKPBONN-QGZVFWFLSA-N 0 3 395.525 0.730 20 0 GCADHN CN(CCCNC(=O)CNC(C)(C)COCc1ccccc1)S(C)(=O)=O ZINC000281449128 1196297570 /nfs/dbraw/zinc/29/75/70/1196297570.db2.gz QMANWEOETGPKNL-UHFFFAOYSA-N 0 3 385.530 0.969 20 0 GCADHN CC(C)N1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000281503306 1196299465 /nfs/dbraw/zinc/29/94/65/1196299465.db2.gz IARLPUIMSZOYCU-UHFFFAOYSA-N 0 3 383.514 0.856 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1(NC(=O)OC(C)(C)C)CC1 ZINC000896892286 1196300516 /nfs/dbraw/zinc/30/05/16/1196300516.db2.gz RGEJRYBUFNPNJN-UHFFFAOYSA-N 0 3 385.509 0.705 20 0 GCADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281516753 1196301168 /nfs/dbraw/zinc/30/11/68/1196301168.db2.gz VGXLAWKQBUDLCD-MRLBHPIUSA-N 0 3 392.500 0.499 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000167555750 1196303445 /nfs/dbraw/zinc/30/34/45/1196303445.db2.gz DLPQLHHOARTOSI-FUHWJXTLSA-N 0 3 376.501 0.242 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)c(OC)c1 ZINC000281715630 1196324478 /nfs/dbraw/zinc/32/44/78/1196324478.db2.gz BCTPFCYVJYOBKH-UHFFFAOYSA-N 0 3 399.513 0.786 20 0 GCADHN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000281721178 1196325039 /nfs/dbraw/zinc/32/50/39/1196325039.db2.gz RYSMOSPPJAPNHN-KRWDZBQOSA-N 0 3 388.468 0.753 20 0 GCADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281811386 1196334794 /nfs/dbraw/zinc/33/47/94/1196334794.db2.gz DCNQWJZXTIANPU-UHFFFAOYSA-N 0 3 390.484 0.862 20 0 GCADHN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281828497 1196338787 /nfs/dbraw/zinc/33/87/87/1196338787.db2.gz RTAIJOWWPYOERG-SFHVURJKSA-N 0 3 385.516 0.908 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(Cl)n1 ZINC000281831642 1196339044 /nfs/dbraw/zinc/33/90/44/1196339044.db2.gz FFQTZTREHRFQIY-UHFFFAOYSA-N 0 3 383.880 0.824 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)c3ncn4ccsc34)C2)OCC1=O ZINC001271379853 1196344611 /nfs/dbraw/zinc/34/46/11/1196344611.db2.gz ZZWSFURCTDJMLR-QGZVFWFLSA-N 0 3 377.470 0.401 20 0 GCADHN CN(C)CCn1nccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000909558619 1196345084 /nfs/dbraw/zinc/34/50/84/1196345084.db2.gz HNSZJXVQMCRABN-CQSZACIVSA-N 0 3 381.477 0.810 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)C1(C)C ZINC000444117823 1196345722 /nfs/dbraw/zinc/34/57/22/1196345722.db2.gz UIMDLBKSKOKTAA-JXFKEZNVSA-N 0 3 391.516 0.921 20 0 GCADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522830355 1196348129 /nfs/dbraw/zinc/34/81/29/1196348129.db2.gz HQDMLONBSMOGGV-QGZVFWFLSA-N 0 3 399.495 0.243 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)cn1 ZINC000444190797 1196358352 /nfs/dbraw/zinc/35/83/52/1196358352.db2.gz FDFGGKIYOUMKNG-UHFFFAOYSA-N 0 3 384.502 0.515 20 0 GCADHN CN1CC(=O)N(CC(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)C1=O ZINC000522886001 1196359302 /nfs/dbraw/zinc/35/93/02/1196359302.db2.gz JFLMVGLBCZDLMU-AWEZNQCLSA-N 0 3 387.440 0.216 20 0 GCADHN CCc1onc(C)c1CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2C1 ZINC001088104890 1196360128 /nfs/dbraw/zinc/36/01/28/1196360128.db2.gz GUEFFNANMRHMNC-IDCJVQTKSA-N 0 3 390.484 0.859 20 0 GCADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(Cc4cccnc4)C[C@H]3C2)O1 ZINC001088105076 1196360755 /nfs/dbraw/zinc/36/07/55/1196360755.db2.gz QYDGEAMTXAWMEX-YDZRNGNQSA-N 0 3 386.496 0.998 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)C1(C)C ZINC000444261464 1196369124 /nfs/dbraw/zinc/36/91/24/1196369124.db2.gz YBOROJNGGKTLKA-LIRRHRJNSA-N 0 3 376.505 0.724 20 0 GCADHN CC(=O)Nc1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)ccc1C ZINC000522973033 1196370754 /nfs/dbraw/zinc/37/07/54/1196370754.db2.gz FPASUOBWRGXCEG-HNNXBMFYSA-N 0 3 396.513 0.819 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000103151059 1196373926 /nfs/dbraw/zinc/37/39/26/1196373926.db2.gz GKIDFJNFPUMVCZ-UHFFFAOYSA-N 0 3 384.480 0.913 20 0 GCADHN O=C(CNC(=O)c1cc(F)cc(F)c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103204339 1196374110 /nfs/dbraw/zinc/37/41/10/1196374110.db2.gz MVPGBYYDQGXVIP-UHFFFAOYSA-N 0 3 394.422 0.461 20 0 GCADHN CCN(CC)CC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000103500500 1196376855 /nfs/dbraw/zinc/37/68/55/1196376855.db2.gz AORQHIJBGBGBDH-QGZVFWFLSA-N 0 3 390.459 0.944 20 0 GCADHN COc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1-n1nnnc1C ZINC000729568526 1196381106 /nfs/dbraw/zinc/38/11/06/1196381106.db2.gz SSMCZKKLMHNTAA-HUUCEWRRSA-N 0 3 387.444 0.964 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000523003955 1196382344 /nfs/dbraw/zinc/38/23/44/1196382344.db2.gz NFVDJEQMLPYTSD-IAGOWNOFSA-N 0 3 395.548 0.972 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)CC1 ZINC000897023118 1196384349 /nfs/dbraw/zinc/38/43/49/1196384349.db2.gz SXTNNTBMJNQUTE-HOTGVXAUSA-N 0 3 378.517 0.789 20 0 GCADHN CN(C)C(=O)COc1ccccc1CN1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000897040722 1196386294 /nfs/dbraw/zinc/38/62/94/1196386294.db2.gz JLVHNMQRQGGLIY-MRXNPFEDSA-N 0 3 375.469 0.617 20 0 GCADHN COC(=O)CCn1nc(C)c(CN2CCC3(CC2)C[C@H](O)CNC3=O)c1C ZINC000897043319 1196386507 /nfs/dbraw/zinc/38/65/07/1196386507.db2.gz UTCWLQOJZWDCKG-HNNXBMFYSA-N 0 3 378.473 0.526 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1F ZINC000475178755 1196389474 /nfs/dbraw/zinc/38/94/74/1196389474.db2.gz AEPMRXOBHZLTHH-UHFFFAOYSA-N 0 3 380.420 0.305 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(CC3CCOCC3)CC2)C1 ZINC000523009850 1196391387 /nfs/dbraw/zinc/39/13/87/1196391387.db2.gz MKMROQASAGGOFY-SFHVURJKSA-N 0 3 381.517 0.832 20 0 GCADHN O=C(NCCCn1cnc2ccccc21)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000785409940 1196394557 /nfs/dbraw/zinc/39/45/57/1196394557.db2.gz AOIAFYJXELGILQ-HOTGVXAUSA-N 0 3 385.468 0.522 20 0 GCADHN CSCC[C@H](N)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000167841817 1196395637 /nfs/dbraw/zinc/39/56/37/1196395637.db2.gz WTZRWCFHBLZMNU-INIZCTEOSA-N 0 3 382.505 0.780 20 0 GCADHN C[C@@H](NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CN(C)CCO1 ZINC000655709914 1196397437 /nfs/dbraw/zinc/39/74/37/1196397437.db2.gz PENPFDGDAGEKCG-LZQZEXGQSA-N 0 3 376.501 0.424 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccnc1N1CCCC1 ZINC000665614632 1196406544 /nfs/dbraw/zinc/40/65/44/1196406544.db2.gz LGLMEJTXCALASA-UHFFFAOYSA-N 0 3 376.505 0.843 20 0 GCADHN COc1ccc([C@H](NC(C)C)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1 ZINC000897235908 1196407871 /nfs/dbraw/zinc/40/78/71/1196407871.db2.gz ZFGIKTDAKAUQMX-HKUYNNGSSA-N 0 3 379.501 0.886 20 0 GCADHN COc1ncc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1C(N)=O ZINC000475382313 1196408319 /nfs/dbraw/zinc/40/83/19/1196408319.db2.gz IIIYIRCGVSAZSD-HNNXBMFYSA-N 0 3 399.451 0.417 20 0 GCADHN COCCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000475429073 1196416125 /nfs/dbraw/zinc/41/61/25/1196416125.db2.gz HDIZTNPFSVBMBP-UHFFFAOYSA-N 0 3 376.457 0.394 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000643423911 1196419936 /nfs/dbraw/zinc/41/99/36/1196419936.db2.gz BBEYNSBEBQKFDX-WBVHZDCISA-N 0 3 388.443 0.648 20 0 GCADHN C[C@@H]1C[C@H](CN2CCN3[C@@H](CNS3(=O)=O)C2)CCN1C(=O)OC(C)(C)C ZINC000897277385 1196426465 /nfs/dbraw/zinc/42/64/65/1196426465.db2.gz GXUMSVFJDCNUEC-KFWWJZLASA-N 0 3 388.534 0.856 20 0 GCADHN CCCN1CCN(c2ccccc2CN2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC000897283151 1196439783 /nfs/dbraw/zinc/43/97/83/1196439783.db2.gz DXXRAPJWJOCXEU-SFHVURJKSA-N 0 3 393.557 0.553 20 0 GCADHN CN1CCN(c2cc(NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)ncn2)CC1=O ZINC000302372615 1196442076 /nfs/dbraw/zinc/44/20/76/1196442076.db2.gz CNLZOCGPAFTKTI-QZTJIDSGSA-N 0 3 396.495 0.802 20 0 GCADHN CCCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000103121664 1196449503 /nfs/dbraw/zinc/44/95/03/1196449503.db2.gz WJRNUUJKDHFGSG-QGZVFWFLSA-N 0 3 378.517 0.792 20 0 GCADHN CCC(=O)N[C@H](CCSC)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000487502130 1196485624 /nfs/dbraw/zinc/48/56/24/1196485624.db2.gz OOHQBUQMEHOPHF-OAHLLOKOSA-N 0 3 384.546 0.401 20 0 GCADHN CC(C)(CNC(=O)CN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)N1CCOCC1 ZINC000639765853 1196491195 /nfs/dbraw/zinc/49/11/95/1196491195.db2.gz IDIXIGLYHVCLLH-WMZOPIPTSA-N 0 3 383.533 0.513 20 0 GCADHN C[S@](=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000475603552 1196493095 /nfs/dbraw/zinc/49/30/95/1196493095.db2.gz NLARQFCPOLRERU-SANMLTNESA-N 0 3 382.530 0.936 20 0 GCADHN Cn1cccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1=O ZINC000444516224 1196499722 /nfs/dbraw/zinc/49/97/22/1196499722.db2.gz SCOZZAXSTTYRKZ-IAGOWNOFSA-N 0 3 398.463 0.323 20 0 GCADHN CCC[C@@H](C)N1C[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000487503584 1196499920 /nfs/dbraw/zinc/49/99/20/1196499920.db2.gz RKLMJLHKKOKNSX-IAGOWNOFSA-N 0 3 378.517 0.790 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000523210080 1196502793 /nfs/dbraw/zinc/50/27/93/1196502793.db2.gz KKZFCMHCCKBYLD-HZPDHXFCSA-N 0 3 379.505 0.382 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H](O)COc1ccccc1 ZINC000523209627 1196503070 /nfs/dbraw/zinc/50/30/70/1196503070.db2.gz QVGIQTKCZSBYEP-WMZOPIPTSA-N 0 3 392.500 0.668 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H](O)COc1ccccc1 ZINC000523209626 1196503326 /nfs/dbraw/zinc/50/33/26/1196503326.db2.gz QVGIQTKCZSBYEP-SJLPKXTDSA-N 0 3 392.500 0.668 20 0 GCADHN CN(C[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000985550647 1196513136 /nfs/dbraw/zinc/51/31/36/1196513136.db2.gz KVFGGHCMZYQZHN-YGTFVGLLSA-N 0 3 382.526 0.767 20 0 GCADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000487505551 1196515388 /nfs/dbraw/zinc/51/53/88/1196515388.db2.gz UJDRLLKRSOICSW-ZBFHGGJFSA-N 0 3 388.534 0.305 20 0 GCADHN Cc1nnnn1-c1ccc(F)c(NC(=O)CN[C@@H]2CCC(=O)NC23CCC3)c1 ZINC000367162422 1196517879 /nfs/dbraw/zinc/51/78/79/1196517879.db2.gz BCNLDYANGLUBEN-OAHLLOKOSA-N 0 3 387.419 0.839 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CCN1CC(C)(C)O ZINC000444760032 1196518237 /nfs/dbraw/zinc/51/82/37/1196518237.db2.gz JTRPPUKETFREHD-NVXWUHKLSA-N 0 3 390.484 0.641 20 0 GCADHN CC(C)CCNC(=O)C1CCN(C(=O)CN(CCO)C2CCOCC2)CC1 ZINC000444767846 1196520422 /nfs/dbraw/zinc/52/04/22/1196520422.db2.gz AMIKIAZWYITQIS-UHFFFAOYSA-N 0 3 383.533 0.861 20 0 GCADHN C[C@@H](CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000523431147 1196523299 /nfs/dbraw/zinc/52/32/99/1196523299.db2.gz YGRWQSLDRMQCGJ-IRXDYDNUSA-N 0 3 383.537 0.197 20 0 GCADHN CC(=O)N1CCN(Cc2ccccc2NC(=O)NC[C@@]2(O)CCN(C)C2)CC1 ZINC000444949001 1196532541 /nfs/dbraw/zinc/53/25/41/1196532541.db2.gz IZXOWHRIXOSPGO-FQEVSTJZSA-N 0 3 389.500 0.539 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2c(C)csc2C(=O)OC)CC1 ZINC000445033115 1196539288 /nfs/dbraw/zinc/53/92/88/1196539288.db2.gz NPDNKWDCIVHHOO-ZDUSSCGKSA-N 0 3 396.513 0.924 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000523625331 1196539569 /nfs/dbraw/zinc/53/95/69/1196539569.db2.gz DEDAVBPLGPUXTJ-KBPBESRZSA-N 0 3 393.454 0.865 20 0 GCADHN Cn1ncc(NC(=O)NCCCCN2CCN(CCO)CC2)c1C(F)(F)F ZINC000445047178 1196540660 /nfs/dbraw/zinc/54/06/60/1196540660.db2.gz IBTUONAJZYMRPA-UHFFFAOYSA-N 0 3 392.426 0.951 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000445092235 1196547416 /nfs/dbraw/zinc/54/74/16/1196547416.db2.gz MPUOLEWTTQEERE-QGZVFWFLSA-N 0 3 391.468 0.972 20 0 GCADHN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000523758131 1196556849 /nfs/dbraw/zinc/55/68/49/1196556849.db2.gz QASFLXCQLHQKRN-OAHLLOKOSA-N 0 3 385.534 0.947 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000523748850 1196557957 /nfs/dbraw/zinc/55/79/57/1196557957.db2.gz RPPWCPHIHOWUOV-UHFFFAOYSA-N 0 3 390.440 0.562 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000523751310 1196558987 /nfs/dbraw/zinc/55/89/87/1196558987.db2.gz ALAKBCGGRLMKKJ-UHFFFAOYSA-N 0 3 377.445 0.228 20 0 GCADHN Cc1ncc2c(n1)CC[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C2 ZINC000523917650 1196566552 /nfs/dbraw/zinc/56/65/52/1196566552.db2.gz WYSDOYGTJNUDGI-SJLPKXTDSA-N 0 3 388.516 0.884 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000523914645 1196567326 /nfs/dbraw/zinc/56/73/26/1196567326.db2.gz JZGVLPZWJMYFHS-FGTMMUONSA-N 0 3 397.564 0.728 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cn1 ZINC000524033127 1196572975 /nfs/dbraw/zinc/57/29/75/1196572975.db2.gz FTARTJSEVSFZFD-HNNXBMFYSA-N 0 3 393.488 0.045 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000524121212 1196577478 /nfs/dbraw/zinc/57/74/78/1196577478.db2.gz MQJDBIDQVHHOSG-MRXNPFEDSA-N 0 3 396.513 0.188 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)ccc1C ZINC000445779237 1196590351 /nfs/dbraw/zinc/59/03/51/1196590351.db2.gz DJRUWVBAISJSOY-KBPBESRZSA-N 0 3 382.486 0.475 20 0 GCADHN COc1cccc(NC(=O)CN(C)C(=O)CN[C@H]2CCCC[C@H]2C(N)=O)c1 ZINC000445784084 1196591003 /nfs/dbraw/zinc/59/10/03/1196591003.db2.gz NSYQREIRGIQDFV-CVEARBPZSA-N 0 3 376.457 0.726 20 0 GCADHN COc1cccc(NC(=O)CN(C)C(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)c1 ZINC000445784086 1196591111 /nfs/dbraw/zinc/59/11/11/1196591111.db2.gz NSYQREIRGIQDFV-HZPDHXFCSA-N 0 3 376.457 0.726 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)CN1CCN(C)CC1 ZINC000524416920 1196593618 /nfs/dbraw/zinc/59/36/18/1196593618.db2.gz WIBVOPWBJQRGIY-QZWWFDLISA-N 0 3 378.517 0.550 20 0 GCADHN NC(=O)C1CCN(c2ncccc2CNC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000524463471 1196597230 /nfs/dbraw/zinc/59/72/30/1196597230.db2.gz GCRTZNZSEFPPGQ-MRXNPFEDSA-N 0 3 386.500 0.819 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)N(C)CCN(C)C)c2cccnc12 ZINC000445915942 1196598995 /nfs/dbraw/zinc/59/89/95/1196598995.db2.gz NUPRHUYVUUCCKI-UHFFFAOYSA-N 0 3 388.424 0.745 20 0 GCADHN NC(=O)CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000445939625 1196601816 /nfs/dbraw/zinc/60/18/16/1196601816.db2.gz WRKVQQPJFFDHPU-OAHLLOKOSA-N 0 3 384.440 0.260 20 0 GCADHN CNC(=O)Cn1cc(NC(=O)C(=O)N(C)CCCN(C)Cc2ccco2)cn1 ZINC000508551134 1196604853 /nfs/dbraw/zinc/60/48/53/1196604853.db2.gz RMWOCIXLNVPWKB-UHFFFAOYSA-N 0 3 390.444 0.141 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 ZINC000524588035 1196606778 /nfs/dbraw/zinc/60/67/78/1196606778.db2.gz CUVDIGXRVWBZLJ-HNAYVOBHSA-N 0 3 389.456 0.261 20 0 GCADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCCCCN1CCN(C)CC1 ZINC000524655758 1196612623 /nfs/dbraw/zinc/61/26/23/1196612623.db2.gz ITOJRWRRVJDZPF-UHFFFAOYSA-N 0 3 388.516 0.977 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000524750687 1196620100 /nfs/dbraw/zinc/62/01/00/1196620100.db2.gz MORWNLHDFMUUMR-LJQANCHMSA-N 0 3 391.560 0.168 20 0 GCADHN CCN(CC)C(=O)CN1CCCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446257593 1196629027 /nfs/dbraw/zinc/62/90/27/1196629027.db2.gz GQAUXUIMVQCHFZ-YRISNDGFSA-N 0 3 394.560 0.922 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000446270434 1196629663 /nfs/dbraw/zinc/62/96/63/1196629663.db2.gz SHKBPNQZQXKSKX-SXGZJXTBSA-N 0 3 387.484 0.362 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446273776 1196629764 /nfs/dbraw/zinc/62/97/64/1196629764.db2.gz CLKNCGDPEVWYNK-WRWLIDTKSA-N 0 3 380.533 0.626 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000446286091 1196630568 /nfs/dbraw/zinc/63/05/68/1196630568.db2.gz BBUYGHZSUBCNFE-XAUMDUMWSA-N 0 3 378.517 0.286 20 0 GCADHN CCN(CC)C(=O)CN1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446289167 1196631460 /nfs/dbraw/zinc/63/14/60/1196631460.db2.gz PNTUIDZZDQROCE-XAUMDUMWSA-N 0 3 380.533 0.532 20 0 GCADHN COCCNC(=O)Cn1cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000446293948 1196632109 /nfs/dbraw/zinc/63/21/09/1196632109.db2.gz SMPSFZUZFNHJQL-DHSIGJKJSA-N 0 3 379.461 0.117 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000446370784 1196638408 /nfs/dbraw/zinc/63/84/08/1196638408.db2.gz UEQYNNBFMJNGHN-LZJOCLMNSA-N 0 3 386.496 0.967 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000446386839 1196639522 /nfs/dbraw/zinc/63/95/22/1196639522.db2.gz SGJWZZIWNZSBNN-HDMKZQKVSA-N 0 3 381.498 0.614 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2c[nH]nc2-c2nccs2)CC1 ZINC000446457301 1196642843 /nfs/dbraw/zinc/64/28/43/1196642843.db2.gz LYHTUKPQUBSICK-UHFFFAOYSA-N 0 3 391.501 0.616 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ncon3)n2CC(C)C)CC1 ZINC000909638535 1196645430 /nfs/dbraw/zinc/64/54/30/1196645430.db2.gz WMGSZYUYTMDOTF-UHFFFAOYSA-N 0 3 390.492 0.975 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000525196497 1196655827 /nfs/dbraw/zinc/65/58/27/1196655827.db2.gz NNKDDBZTGCYNJC-HUUCEWRRSA-N 0 3 395.500 0.894 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000525268424 1196662261 /nfs/dbraw/zinc/66/22/61/1196662261.db2.gz NPTFGUHZQHSILJ-AWEZNQCLSA-N 0 3 386.500 0.962 20 0 GCADHN COC(=O)[C@]1(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)CCOC1 ZINC000446728367 1196662526 /nfs/dbraw/zinc/66/25/26/1196662526.db2.gz NORXLPWSOBCFHM-FQEVSTJZSA-N 0 3 375.469 0.955 20 0 GCADHN Cn1c2c(ccn2CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000525288052 1196664085 /nfs/dbraw/zinc/66/40/85/1196664085.db2.gz QHKIIDFUNLAGTE-MRXNPFEDSA-N 0 3 395.463 0.429 20 0 GCADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000525313521 1196668099 /nfs/dbraw/zinc/66/80/99/1196668099.db2.gz RQNBPVAYUHIHIN-CQSZACIVSA-N 0 3 395.481 0.495 20 0 GCADHN CN(C)[C@H](CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)Cc1ccccc1 ZINC000487524715 1196668106 /nfs/dbraw/zinc/66/81/06/1196668106.db2.gz YIUSCGFZQFDCNR-IRXDYDNUSA-N 0 3 382.530 0.835 20 0 GCADHN CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000525321561 1196671987 /nfs/dbraw/zinc/67/19/87/1196671987.db2.gz JLYSGBXEFUEEDY-CQSZACIVSA-N 0 3 375.473 0.583 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2)CN1CCN(C)CC1 ZINC000525322321 1196672005 /nfs/dbraw/zinc/67/20/05/1196672005.db2.gz JEFKHWQWIASVIS-AWEZNQCLSA-N 0 3 387.484 0.510 20 0 GCADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@@H]1C ZINC000525387122 1196676748 /nfs/dbraw/zinc/67/67/48/1196676748.db2.gz XTPNKAAWVLSCAC-NWDGAFQWSA-N 0 3 395.485 0.527 20 0 GCADHN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000447028729 1196689181 /nfs/dbraw/zinc/68/91/81/1196689181.db2.gz OXLLGSYMZXDIDA-UHFFFAOYSA-N 0 3 397.545 0.421 20 0 GCADHN COc1ccc(CN(C(=O)CNC[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000429696814 1196693388 /nfs/dbraw/zinc/69/33/88/1196693388.db2.gz JYFMEYYPSWMFIB-AEFFLSMTSA-N 0 3 396.509 0.980 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCc3ncn(C)n3)c(C)c2)CC1 ZINC000447210671 1196701069 /nfs/dbraw/zinc/70/10/69/1196701069.db2.gz YXIDEXOBYGWJOH-UHFFFAOYSA-N 0 3 399.499 0.563 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(F)c(OC)cc2OC)CC1 ZINC000447260105 1196704049 /nfs/dbraw/zinc/70/40/49/1196704049.db2.gz XKRZYICGYAENQQ-ZDUSSCGKSA-N 0 3 396.463 0.924 20 0 GCADHN C[C@H]1CN(Cc2nnnn2CCOCC(F)(F)F)CCN1CC(C)(C)O ZINC000447270789 1196704515 /nfs/dbraw/zinc/70/45/15/1196704515.db2.gz KDIGXEHUXCNFQP-LBPRGKRZSA-N 0 3 380.415 0.529 20 0 GCADHN CCN1CCN([C@H]2CCN(Cc3nnnn3CCOCC(F)(F)F)C2)CC1 ZINC000447348899 1196710217 /nfs/dbraw/zinc/71/02/17/1196710217.db2.gz LAGQYJZRQMJBLS-AWEZNQCLSA-N 0 3 391.442 0.464 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)cn1 ZINC000447424885 1196718166 /nfs/dbraw/zinc/71/81/66/1196718166.db2.gz YNSFURDHSAHCRB-UHFFFAOYSA-N 0 3 378.477 0.148 20 0 GCADHN COc1ncc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)cc1C(N)=O ZINC000447420822 1196719154 /nfs/dbraw/zinc/71/91/54/1196719154.db2.gz CUOVFXUUWXVYPS-UHFFFAOYSA-N 0 3 377.445 0.366 20 0 GCADHN COc1cnccc1N1CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1 ZINC000526036546 1196733608 /nfs/dbraw/zinc/73/36/08/1196733608.db2.gz KHGBPHBSZMLENB-AWEZNQCLSA-N 0 3 379.482 0.954 20 0 GCADHN CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c2)[n-]1 ZINC000447682944 1196740045 /nfs/dbraw/zinc/74/00/45/1196740045.db2.gz LMCDUDBKDDRXRW-MRXNPFEDSA-N 0 3 398.467 0.655 20 0 GCADHN CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)c2)[n-]1 ZINC000447682944 1196740047 /nfs/dbraw/zinc/74/00/47/1196740047.db2.gz LMCDUDBKDDRXRW-MRXNPFEDSA-N 0 3 398.467 0.655 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000526124766 1196743625 /nfs/dbraw/zinc/74/36/25/1196743625.db2.gz CPRYWHJKLTYBBP-QGZVFWFLSA-N 0 3 398.463 0.908 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cc3c(nc4ccccn4c3=O)n2C)CC1 ZINC000526131646 1196743951 /nfs/dbraw/zinc/74/39/51/1196743951.db2.gz JMPQEESAMHOAHL-HNNXBMFYSA-N 0 3 396.495 0.942 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cnn(-c3ccccn3)c2C)CC1 ZINC000526328196 1196745290 /nfs/dbraw/zinc/74/52/90/1196745290.db2.gz MFURVUXGRQJXML-OAHLLOKOSA-N 0 3 392.529 0.880 20 0 GCADHN CCN1CCCN(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)CC1 ZINC000665940033 1196748672 /nfs/dbraw/zinc/74/86/72/1196748672.db2.gz ZHBJTUKQPSFTBZ-MRXNPFEDSA-N 0 3 389.566 0.678 20 0 GCADHN CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000526988120 1196754147 /nfs/dbraw/zinc/75/41/47/1196754147.db2.gz FPSPWPSWIWYGTK-KRWDZBQOSA-N 0 3 379.505 0.195 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)CN[C@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447908095 1196756370 /nfs/dbraw/zinc/75/63/70/1196756370.db2.gz UEZFDQXTXXPRJM-WOJBJXKFSA-N 0 3 391.512 0.859 20 0 GCADHN O=C(CN[C@H](CO)[C@H]1CCCO1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000447917826 1196757843 /nfs/dbraw/zinc/75/78/43/1196757843.db2.gz RRTMCUUAFYUFBJ-QZTJIDSGSA-N 0 3 375.469 0.993 20 0 GCADHN COC(=O)c1cccc(NC(=O)CN2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000527047845 1196759112 /nfs/dbraw/zinc/75/91/12/1196759112.db2.gz GFAGWMLPQNZTDK-MRXNPFEDSA-N 0 3 389.500 0.907 20 0 GCADHN COCCc1ccccc1NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000527220559 1196773582 /nfs/dbraw/zinc/77/35/82/1196773582.db2.gz VRAFRTPHOMOYER-UHFFFAOYSA-N 0 3 376.501 0.958 20 0 GCADHN CCN1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000527230559 1196775236 /nfs/dbraw/zinc/77/52/36/1196775236.db2.gz PQOBYDUPMSNPDJ-SJORKVTESA-N 0 3 377.537 0.824 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000527289184 1196777916 /nfs/dbraw/zinc/77/79/16/1196777916.db2.gz LSNBDDGHWACZIK-VQIMIIECSA-N 0 3 396.438 0.822 20 0 GCADHN Cn1ccnc1CC1CCN(C(=O)NCCCN2CCC[C@@H]2C(N)=O)CC1 ZINC000448207974 1196780825 /nfs/dbraw/zinc/78/08/25/1196780825.db2.gz CMQWACCUPMFNOZ-MRXNPFEDSA-N 0 3 376.505 0.724 20 0 GCADHN CCN(CC)S(=O)(=O)CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000448286876 1196788853 /nfs/dbraw/zinc/78/88/53/1196788853.db2.gz DODGKJSPHHMDPS-QGZVFWFLSA-N 0 3 383.514 0.193 20 0 GCADHN COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cn1 ZINC000448321438 1196792174 /nfs/dbraw/zinc/79/21/74/1196792174.db2.gz ZHADGHSVNZKDTJ-BBRMVZONSA-N 0 3 382.486 0.694 20 0 GCADHN COc1c(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cccc1C(N)=O ZINC000448322577 1196792207 /nfs/dbraw/zinc/79/22/07/1196792207.db2.gz SCRDBEKKICQAGE-CQSZACIVSA-N 0 3 376.457 0.969 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000448323586 1196792360 /nfs/dbraw/zinc/79/23/60/1196792360.db2.gz YEPYUWXVPAIJDY-MRXNPFEDSA-N 0 3 390.484 0.987 20 0 GCADHN COC(=O)Cn1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)cn1 ZINC000448321440 1196792389 /nfs/dbraw/zinc/79/23/89/1196792389.db2.gz ZHADGHSVNZKDTJ-CJNGLKHVSA-N 0 3 382.486 0.694 20 0 GCADHN COc1ncc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1C(N)=O ZINC000448324390 1196792959 /nfs/dbraw/zinc/79/29/59/1196792959.db2.gz FJRDLCUZDPHSKU-ZDUSSCGKSA-N 0 3 377.445 0.364 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1)CN1CCN(C)CC1 ZINC000448360288 1196793682 /nfs/dbraw/zinc/79/36/82/1196793682.db2.gz SIWISDPUCKGHFS-OAHLLOKOSA-N 0 3 387.484 0.362 20 0 GCADHN CN(C)[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccnc1)c1ccccc1 ZINC000448461310 1196803519 /nfs/dbraw/zinc/80/35/19/1196803519.db2.gz KJAZEEKZXMTJLC-KRWDZBQOSA-N 0 3 391.497 0.962 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000527883339 1196822197 /nfs/dbraw/zinc/82/21/97/1196822197.db2.gz PEUYALBCVIXFDN-QGZVFWFLSA-N 0 3 379.505 0.383 20 0 GCADHN CS(=O)(=O)NC1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000729588597 1196825386 /nfs/dbraw/zinc/82/53/86/1196825386.db2.gz UDQALZSTRSIYFO-HUUCEWRRSA-N 0 3 388.534 0.401 20 0 GCADHN CS(=O)(=O)NC1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000729588595 1196825906 /nfs/dbraw/zinc/82/59/06/1196825906.db2.gz UDQALZSTRSIYFO-CABCVRRESA-N 0 3 388.534 0.401 20 0 GCADHN COCCCNC(=O)C1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000369045825 1196836272 /nfs/dbraw/zinc/83/62/72/1196836272.db2.gz AZNCIEGLIDGIGK-IAGOWNOFSA-N 0 3 382.505 0.424 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CCCN(C(=O)CNC(C)=O)CC2)n1 ZINC000528193609 1196839436 /nfs/dbraw/zinc/83/94/36/1196839436.db2.gz SCGLFYRFVLPJIG-UHFFFAOYSA-N 0 3 392.508 0.111 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000119046417 1196876551 /nfs/dbraw/zinc/87/65/51/1196876551.db2.gz AATNUYSRWREMRZ-SJORKVTESA-N 0 3 380.514 0.683 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000528696236 1196879565 /nfs/dbraw/zinc/87/95/65/1196879565.db2.gz HEDDTXUFCHDKDL-UHFFFAOYSA-N 0 3 389.456 0.371 20 0 GCADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528717033 1196880792 /nfs/dbraw/zinc/88/07/92/1196880792.db2.gz XULVNXCOZGMMAX-AWEZNQCLSA-N 0 3 387.484 0.985 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(OCCN2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000528749602 1196883965 /nfs/dbraw/zinc/88/39/65/1196883965.db2.gz MHLMQMRDLFHAGU-HDICACEKSA-N 0 3 386.514 0.629 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1C1CCOCC1 ZINC000528847362 1196891068 /nfs/dbraw/zinc/89/10/68/1196891068.db2.gz VVBNDHQARKREOX-SFHVURJKSA-N 0 3 389.500 0.922 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1)OCC(=O)N2 ZINC000282025096 1196896102 /nfs/dbraw/zinc/89/61/02/1196896102.db2.gz QVENJHKHRMCARW-GFCCVEGCSA-N 0 3 383.470 0.988 20 0 GCADHN Cc1nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN(C)C(C)C)C3)c(=O)[nH]c1C ZINC001719904338 1196898465 /nfs/dbraw/zinc/89/84/65/1196898465.db2.gz ZDDJGQFXGQQVJY-KFWWJZLASA-N 0 3 375.473 0.589 20 0 GCADHN COc1cc(CN2CC[C@H](NC(=O)NC[C@@H]3COCCN3)C2)cc(OC)c1 ZINC000529318638 1196914565 /nfs/dbraw/zinc/91/45/65/1196914565.db2.gz XQTDIGSLQJPIND-JKSUJKDBSA-N 0 3 378.473 0.566 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529439237 1196921656 /nfs/dbraw/zinc/92/16/56/1196921656.db2.gz NSNYAJJMORGKEN-GOSISDBHSA-N 0 3 375.469 0.736 20 0 GCADHN Nc1nc(C(=O)NC[C@@H]2CCN2C2CCCCC2)nc(N2CCOCC2)n1 ZINC000529715136 1196931730 /nfs/dbraw/zinc/93/17/30/1196931730.db2.gz BJMQZNFFFOQNSH-AWEZNQCLSA-N 0 3 375.477 0.427 20 0 GCADHN Cn1cc(C[C@@H]2CC(=O)N(CN3CCC(C)(N4CCOCC4)CC3)C2=O)cn1 ZINC000530102829 1196961897 /nfs/dbraw/zinc/96/18/97/1196961897.db2.gz APZXBHYCUNBARM-QGZVFWFLSA-N 0 3 389.500 0.482 20 0 GCADHN CCOC(=O)[C@@H]1CN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC12COC2 ZINC000451138870 1196972500 /nfs/dbraw/zinc/97/25/00/1196972500.db2.gz RBUXHSLCMDVJNW-HIFRSBDPSA-N 0 3 379.409 0.667 20 0 GCADHN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CN2CCN1CCC2 ZINC000530350947 1196980823 /nfs/dbraw/zinc/98/08/23/1196980823.db2.gz SDUCYFHZYDQYAF-MSOLQXFVSA-N 0 3 392.450 0.962 20 0 GCADHN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000530431039 1196987204 /nfs/dbraw/zinc/98/72/04/1196987204.db2.gz MYKZZAWYHFVTEF-BBWFWOEESA-N 0 3 387.546 0.758 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CC[C@](COC)(C(=O)OC)C2)C1 ZINC000451336968 1196989003 /nfs/dbraw/zinc/98/90/03/1196989003.db2.gz QETATHHBDVIOOU-KHYOSLBOSA-N 0 3 384.473 0.688 20 0 GCADHN COC[C@@]1(C(=O)OC)CCN([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000451332819 1196989068 /nfs/dbraw/zinc/98/90/68/1196989068.db2.gz IRDQTXFONJERFB-OXQOHEQNSA-N 0 3 390.484 0.630 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000530549114 1196995344 /nfs/dbraw/zinc/99/53/44/1196995344.db2.gz YIGRLTVHHSJMHZ-UHFFFAOYSA-N 0 3 393.484 0.738 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c(OCC(=O)N(C)C)c1 ZINC000530568209 1196996681 /nfs/dbraw/zinc/99/66/81/1196996681.db2.gz ZLWWMZGHOMFWIA-HNNXBMFYSA-N 0 3 390.484 0.859 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c(OCC(=O)N(C)C)c1 ZINC000530568210 1196996717 /nfs/dbraw/zinc/99/67/17/1196996717.db2.gz ZLWWMZGHOMFWIA-OAHLLOKOSA-N 0 3 390.484 0.859 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1=O ZINC000530565981 1196996782 /nfs/dbraw/zinc/99/67/82/1196996782.db2.gz LVPHCWWLUQHDIT-ZDUSSCGKSA-N 0 3 394.497 0.476 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000470030251 1196998544 /nfs/dbraw/zinc/99/85/44/1196998544.db2.gz QPBWHYXFPOVTSX-IBGZPJMESA-N 0 3 378.517 0.982 20 0 GCADHN CCN(CC)C(=O)N1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000530606908 1196999169 /nfs/dbraw/zinc/99/91/69/1196999169.db2.gz XKCYCPFOARPYCV-UHFFFAOYSA-N 0 3 382.553 0.803 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000530607331 1196999282 /nfs/dbraw/zinc/99/92/82/1196999282.db2.gz OOXXIBAAEPBIFQ-WMZOPIPTSA-N 0 3 390.532 0.937 20 0 GCADHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000451596400 1197000735 /nfs/dbraw/zinc/00/07/35/1197000735.db2.gz YLAVFBVBBQMUEM-CABCVRRESA-N 0 3 383.470 0.984 20 0 GCADHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000451625803 1197001613 /nfs/dbraw/zinc/00/16/13/1197001613.db2.gz YMZRURNFTJKBQK-IAGOWNOFSA-N 0 3 397.497 0.803 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000530636363 1197002172 /nfs/dbraw/zinc/00/21/72/1197002172.db2.gz JDAFPPCUZYWJSX-UHFFFAOYSA-N 0 3 399.517 0.116 20 0 GCADHN CC(C)Cn1c(N)c(C(=O)CN[C@@H]([C@@H](CO)C2CC2)C2CC2)c(=O)[nH]c1=O ZINC000451616463 1197002795 /nfs/dbraw/zinc/00/27/95/1197002795.db2.gz VSISWWXBFQPGDJ-XJKSGUPXSA-N 0 3 378.473 0.757 20 0 GCADHN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCNC(C)(C)C3)CC2)c1 ZINC000530637670 1197002857 /nfs/dbraw/zinc/00/28/57/1197002857.db2.gz YZVBIOMYDLQXKV-UHFFFAOYSA-N 0 3 394.541 0.657 20 0 GCADHN CCOC(=O)c1cccc(OC[C@H](O)CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c1 ZINC000451650243 1197004211 /nfs/dbraw/zinc/00/42/11/1197004211.db2.gz AAWNGLSGSVXTPE-SOLBZPMBSA-N 0 3 380.485 0.990 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000530682310 1197004866 /nfs/dbraw/zinc/00/48/66/1197004866.db2.gz ABKOMKWJIBLBFR-AWEZNQCLSA-N 0 3 396.513 0.771 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000530680966 1197008814 /nfs/dbraw/zinc/00/88/14/1197008814.db2.gz GADUPWUCNJBITI-AWEZNQCLSA-N 0 3 376.457 0.821 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)S(C)(=O)=O ZINC000451695018 1197008840 /nfs/dbraw/zinc/00/88/40/1197008840.db2.gz MIUBQJXSUJSWFM-ZACQAIPSSA-N 0 3 389.562 0.646 20 0 GCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000530806839 1197017401 /nfs/dbraw/zinc/01/74/01/1197017401.db2.gz CXOIOVXHFMIBPL-CYBMUJFWSA-N 0 3 376.457 0.794 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000530806663 1197017424 /nfs/dbraw/zinc/01/74/24/1197017424.db2.gz ZDMGGUIMAPISOF-AWEZNQCLSA-N 0 3 396.513 0.770 20 0 GCADHN CCN1CCN(CCC(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)CC1 ZINC000530808212 1197018020 /nfs/dbraw/zinc/01/80/20/1197018020.db2.gz GHFMRYMYTLALOW-UHFFFAOYSA-N 0 3 381.502 0.219 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c(OC)c1 ZINC000451858104 1197019780 /nfs/dbraw/zinc/01/97/80/1197019780.db2.gz IHNHXEIWFDAULX-PMPSAXMXSA-N 0 3 392.452 0.917 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)[C@@H]2CCCN(C)C2)c1 ZINC000530881235 1197022683 /nfs/dbraw/zinc/02/26/83/1197022683.db2.gz FKNNNDAPCZFRMI-OAHLLOKOSA-N 0 3 396.513 0.219 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cccc1-n1cnnn1 ZINC000530900690 1197025229 /nfs/dbraw/zinc/02/52/29/1197025229.db2.gz XLVQAFQFHBVTCI-QGZVFWFLSA-N 0 3 389.485 0.463 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cccc1-n1cnnn1 ZINC000530900687 1197025344 /nfs/dbraw/zinc/02/53/44/1197025344.db2.gz XLVQAFQFHBVTCI-KRWDZBQOSA-N 0 3 389.485 0.463 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000530906615 1197027399 /nfs/dbraw/zinc/02/73/99/1197027399.db2.gz WGEUJFYTPKAMFG-HNNXBMFYSA-N 0 3 376.505 0.122 20 0 GCADHN CCO[C@@H]1CCC[C@H]1NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000452027331 1197033525 /nfs/dbraw/zinc/03/35/25/1197033525.db2.gz WBSLHEJBAAVJFH-YYIAUSFCSA-N 0 3 388.530 0.728 20 0 GCADHN CCN1CCN(CC(=O)Nc2cccc(CN3CCC(O)CC3)c2)C(=O)C1=O ZINC000531019303 1197037464 /nfs/dbraw/zinc/03/74/64/1197037464.db2.gz PHUVBIFSCZWWOR-UHFFFAOYSA-N 0 3 388.468 0.273 20 0 GCADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000531044954 1197041996 /nfs/dbraw/zinc/04/19/96/1197041996.db2.gz BHXWZMWOVGEPBF-CQSZACIVSA-N 0 3 376.457 0.598 20 0 GCADHN CN(C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000531161929 1197049780 /nfs/dbraw/zinc/04/97/80/1197049780.db2.gz MWZIXGFMBFVWLF-QGZVFWFLSA-N 0 3 395.525 0.972 20 0 GCADHN CC(C)(C)N1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000531182359 1197052393 /nfs/dbraw/zinc/05/23/93/1197052393.db2.gz MBXYLLYNWGAAHH-HNNXBMFYSA-N 0 3 379.505 0.335 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC000452344638 1197053080 /nfs/dbraw/zinc/05/30/80/1197053080.db2.gz CZBQPMDMCKZFNY-INIZCTEOSA-N 0 3 399.513 0.188 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)NC[C@@H]2CCCN2CCCO)[C@H]1c1ccccc1 ZINC000452348762 1197053730 /nfs/dbraw/zinc/05/37/30/1197053730.db2.gz AKOJEIRDLJVGRL-SXLOBPIMSA-N 0 3 389.496 0.938 20 0 GCADHN COCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000452354923 1197054006 /nfs/dbraw/zinc/05/40/06/1197054006.db2.gz WNVIVBYRCIBSDW-MRXNPFEDSA-N 0 3 399.513 0.188 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000452355855 1197054263 /nfs/dbraw/zinc/05/42/63/1197054263.db2.gz ZCKZLQUJEXZJGE-MRXNPFEDSA-N 0 3 381.498 0.704 20 0 GCADHN COc1ccnc(N2CCC(C(=O)NC[C@H]3CCCCN3CCO)CC2)n1 ZINC000452386749 1197055535 /nfs/dbraw/zinc/05/55/35/1197055535.db2.gz FWMUVGJGDGGFMY-MRXNPFEDSA-N 0 3 377.489 0.665 20 0 GCADHN O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452377670 1197057999 /nfs/dbraw/zinc/05/79/99/1197057999.db2.gz RSVZFONMKIWEIR-MRXNPFEDSA-N 0 3 398.463 0.587 20 0 GCADHN NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CCCCN1CCO ZINC000452389209 1197060665 /nfs/dbraw/zinc/06/06/65/1197060665.db2.gz LPDXCWXPRQLHBN-CRAIPNDOSA-N 0 3 387.484 0.710 20 0 GCADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(CN(C)C)c1 ZINC000531282875 1197062351 /nfs/dbraw/zinc/06/23/51/1197062351.db2.gz VBFDWUZRFQFPBD-MRXNPFEDSA-N 0 3 381.498 0.514 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC000531319557 1197066600 /nfs/dbraw/zinc/06/66/00/1197066600.db2.gz FUMOGQYWZNPOGK-ZDUSSCGKSA-N 0 3 387.440 0.135 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000123035082 1197077165 /nfs/dbraw/zinc/07/71/65/1197077165.db2.gz XHDWBPJVYZPRAM-NXHRZFHOSA-N 0 3 376.501 0.894 20 0 GCADHN CC(=O)NCC1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000531483080 1197077917 /nfs/dbraw/zinc/07/79/17/1197077917.db2.gz IZZMVORPBQIJLF-QGZVFWFLSA-N 0 3 381.521 0.487 20 0 GCADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCN1CCCO ZINC000452780051 1197080336 /nfs/dbraw/zinc/08/03/36/1197080336.db2.gz HAVWUDCZHQVQBX-MSOLQXFVSA-N 0 3 390.463 0.867 20 0 GCADHN NS(=O)(=O)c1cccc2c1ccnc2C(=O)NC[C@H]1CCCN1CCCO ZINC000452778419 1197080418 /nfs/dbraw/zinc/08/04/18/1197080418.db2.gz DRCKTTUULIQJGK-CYBMUJFWSA-N 0 3 392.481 0.459 20 0 GCADHN O=C(CC1(C(=O)N[C@@H]2CCCN(CCCO)C2)CCCC1)N1CCOCC1 ZINC000452795664 1197082501 /nfs/dbraw/zinc/08/25/01/1197082501.db2.gz JUKICOSWEQZEJN-QGZVFWFLSA-N 0 3 381.517 0.759 20 0 GCADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000531635464 1197088525 /nfs/dbraw/zinc/08/85/25/1197088525.db2.gz QINYYQQFYNMDSZ-AWEZNQCLSA-N 0 3 376.457 0.822 20 0 GCADHN C[C@H](C(=O)Nc1cnccc1N1CCN(C)CC1)S(=O)(=O)C1CCOCC1 ZINC000531683217 1197092530 /nfs/dbraw/zinc/09/25/30/1197092530.db2.gz XYKITRYLBIBGGP-CQSZACIVSA-N 0 3 396.513 0.754 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000531722852 1197095059 /nfs/dbraw/zinc/09/50/59/1197095059.db2.gz XBGQYQQDNICIQU-HNNXBMFYSA-N 0 3 376.457 0.775 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000531901029 1197104199 /nfs/dbraw/zinc/10/41/99/1197104199.db2.gz DVOPSKVUQIWUDO-JSGCOSHPSA-N 0 3 382.486 0.005 20 0 GCADHN Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000531939711 1197104462 /nfs/dbraw/zinc/10/44/62/1197104462.db2.gz OBLVTSBUWWJTAN-HOCLYGCPSA-N 0 3 376.486 0.982 20 0 GCADHN CCN(Cc1ccccc1)S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000531939211 1197104772 /nfs/dbraw/zinc/10/47/72/1197104772.db2.gz UUFMOFZNAWLIGJ-UHFFFAOYSA-N 0 3 394.541 0.993 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NC[C@@]3(C)CCCO3)ccc2oc1=O ZINC000532039600 1197108674 /nfs/dbraw/zinc/10/86/74/1197108674.db2.gz ODICIUMGLZPMEO-LJQANCHMSA-N 0 3 390.440 0.780 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)n1 ZINC000453567655 1197109797 /nfs/dbraw/zinc/10/97/97/1197109797.db2.gz AFJLFHIHBONLHT-CVEARBPZSA-N 0 3 379.505 1.546 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000453611808 1197114173 /nfs/dbraw/zinc/11/41/73/1197114173.db2.gz RYMYSEOAIUKTBT-QWHCGFSZSA-N 0 3 376.457 0.969 20 0 GCADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000532170873 1197123314 /nfs/dbraw/zinc/12/33/14/1197123314.db2.gz KQHOHOMRAZTKMN-IKGGRYGDSA-N 0 3 381.521 0.269 20 0 GCADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000453739411 1197127901 /nfs/dbraw/zinc/12/79/01/1197127901.db2.gz DEPRZKUGTYQDJT-GASCZTMLSA-N 0 3 397.859 0.316 20 0 GCADHN O=C(NCCNS(=O)(=O)Cc1ccon1)N1CCN(C2CCCCC2)CC1 ZINC000532253892 1197129960 /nfs/dbraw/zinc/12/99/60/1197129960.db2.gz FVRVMQCSVDTWNN-UHFFFAOYSA-N 0 3 399.517 0.754 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc3ccncc32)CC1 ZINC000532233339 1197130348 /nfs/dbraw/zinc/13/03/48/1197130348.db2.gz OOZPTWZUQQJSFJ-SFHVURJKSA-N 0 3 395.463 0.938 20 0 GCADHN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453811016 1197134697 /nfs/dbraw/zinc/13/46/97/1197134697.db2.gz ZIUQKIMSZMBOSF-OAHLLOKOSA-N 0 3 377.489 0.979 20 0 GCADHN COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453811233 1197134709 /nfs/dbraw/zinc/13/47/09/1197134709.db2.gz ZZLSVTVKRCDGIV-LLVKDONJSA-N 0 3 399.394 0.653 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1cccnc1N1CCCCC1 ZINC000453802078 1197137496 /nfs/dbraw/zinc/13/74/96/1197137496.db2.gz BLAABZWSJCGIMK-INIZCTEOSA-N 0 3 389.500 0.973 20 0 GCADHN Cn1ncc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c1-c1ccccc1 ZINC000453804486 1197138543 /nfs/dbraw/zinc/13/85/43/1197138543.db2.gz HRXRMJWVOMTILT-MRXNPFEDSA-N 0 3 385.468 0.989 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cc1OC ZINC000453810127 1197140239 /nfs/dbraw/zinc/14/02/39/1197140239.db2.gz WTXIAZPCUUFWRU-AWEZNQCLSA-N 0 3 393.440 0.383 20 0 GCADHN C[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000453897921 1197146552 /nfs/dbraw/zinc/14/65/52/1197146552.db2.gz LLYBGPPQEBBYBX-BBRMVZONSA-N 0 3 376.457 0.865 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)o3)C2)CC1 ZINC000532348097 1197146867 /nfs/dbraw/zinc/14/68/67/1197146867.db2.gz LOJMVLNVJRJQHV-OAHLLOKOSA-N 0 3 398.529 0.770 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)o3)C2)CC1 ZINC000532348096 1197147453 /nfs/dbraw/zinc/14/74/53/1197147453.db2.gz LOJMVLNVJRJQHV-HNNXBMFYSA-N 0 3 398.529 0.770 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)C1 ZINC000532363983 1197148143 /nfs/dbraw/zinc/14/81/43/1197148143.db2.gz ZZMSHVIPMSLRJU-LBPRGKRZSA-N 0 3 385.461 0.767 20 0 GCADHN CC(C)c1cc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)n(-c2ncccn2)n1 ZINC000453916387 1197154688 /nfs/dbraw/zinc/15/46/88/1197154688.db2.gz LEHIITGEHJDBKF-DZGCQCFKSA-N 0 3 383.456 0.887 20 0 GCADHN CN(C)c1nnc(-c2ccc(NC(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc2)o1 ZINC000453917231 1197154871 /nfs/dbraw/zinc/15/48/71/1197154871.db2.gz LZCGOWFPVZMMHG-DZGCQCFKSA-N 0 3 384.440 0.904 20 0 GCADHN COc1cc(C)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000360080218 1197155982 /nfs/dbraw/zinc/15/59/82/1197155982.db2.gz USMLIOQQJJIFKJ-MRXNPFEDSA-N 0 3 388.468 0.707 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3nccnc3c2)CC1 ZINC000360079407 1197156213 /nfs/dbraw/zinc/15/62/13/1197156213.db2.gz NKLACQCKQDURNK-QGZVFWFLSA-N 0 3 396.451 0.333 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000171340424 1197156918 /nfs/dbraw/zinc/15/69/18/1197156918.db2.gz CNLZKCAKXSNYJU-CHWSQXEVSA-N 0 3 390.406 0.210 20 0 GCADHN O=C(CN1CCC[C@@H](CN2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000171962631 1197159149 /nfs/dbraw/zinc/15/91/49/1197159149.db2.gz HWEDDTVFFYBGFN-SFHVURJKSA-N 0 3 388.516 0.169 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)C[C@@H]21 ZINC000453919227 1197161971 /nfs/dbraw/zinc/16/19/71/1197161971.db2.gz DVUBLPNYEQWIJU-COXVUDFISA-N 0 3 386.452 0.905 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)C1 ZINC000986283047 1197162504 /nfs/dbraw/zinc/16/25/04/1197162504.db2.gz LLOLDXRGGKFEIK-XLMAVXFVSA-N 0 3 390.528 0.692 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CN(C)C4CCC4)C[C@H]3C2)O1 ZINC000986324000 1197165824 /nfs/dbraw/zinc/16/58/24/1197165824.db2.gz LYSXPPVXMGPZLD-VXIBKDFQSA-N 0 3 392.544 0.497 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)ccc1F ZINC000172759420 1197174062 /nfs/dbraw/zinc/17/40/62/1197174062.db2.gz VSPQKVOLNDGNEN-LBPRGKRZSA-N 0 3 375.408 0.458 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)n1 ZINC000173414249 1197176716 /nfs/dbraw/zinc/17/67/16/1197176716.db2.gz OVYHHWIPAFIJKW-AWEZNQCLSA-N 0 3 380.518 0.295 20 0 GCADHN Cn1nccc1COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCN1C ZINC001719907469 1197177024 /nfs/dbraw/zinc/17/70/24/1197177024.db2.gz VGVCLHSKPGPBRN-SIXLDLHFSA-N 0 3 375.473 0.279 20 0 GCADHN CCc1nsc(N2CCCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)n1 ZINC000173483701 1197177285 /nfs/dbraw/zinc/17/72/85/1197177285.db2.gz SZJDNDQSUBRYKH-AWEZNQCLSA-N 0 3 394.545 0.549 20 0 GCADHN O=C(COCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1)NCc1cccnc1 ZINC000428522588 1197182057 /nfs/dbraw/zinc/18/20/57/1197182057.db2.gz BMDWLDKETKLPMY-LJQANCHMSA-N 0 3 398.463 0.920 20 0 GCADHN CCc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)C2)ncn1 ZINC000174814404 1197182793 /nfs/dbraw/zinc/18/27/93/1197182793.db2.gz BYMHGDMAWBGFFB-NVXWUHKLSA-N 0 3 388.516 0.534 20 0 GCADHN CC1(C)CN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CCN1 ZINC000175389724 1197183733 /nfs/dbraw/zinc/18/37/33/1197183733.db2.gz NJHFGSFCNGZJTC-MRXNPFEDSA-N 0 3 385.468 0.334 20 0 GCADHN CCS(=O)(=O)N(C)CC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000176312625 1197186408 /nfs/dbraw/zinc/18/64/08/1197186408.db2.gz AAVLUBJYNYBMOB-UHFFFAOYSA-N 0 3 382.530 0.828 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)CC1 ZINC000176639224 1197187987 /nfs/dbraw/zinc/18/79/87/1197187987.db2.gz BAUIIDOBAPICAT-CYBMUJFWSA-N 0 3 386.518 0.594 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177078169 1197189124 /nfs/dbraw/zinc/18/91/24/1197189124.db2.gz CTYGZRMSQLKAQW-SUHUHFCYSA-N 0 3 383.518 0.445 20 0 GCADHN O=C(NC1CC1)[C@H]1CCCN1CCOCCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000178593506 1197195558 /nfs/dbraw/zinc/19/55/58/1197195558.db2.gz PMBMEEUBPSTTKK-QZTJIDSGSA-N 0 3 378.517 0.489 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000666111608 1197204858 /nfs/dbraw/zinc/20/48/58/1197204858.db2.gz XXOQQAVNRDZTQA-IXDOHACOSA-N 0 3 387.546 0.952 20 0 GCADHN COc1cccc(OC)c1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000475756610 1197208730 /nfs/dbraw/zinc/20/87/30/1197208730.db2.gz JMDWIMRLJLWEJD-CYBMUJFWSA-N 0 3 385.486 0.570 20 0 GCADHN COC(=O)c1nc2nc(C)cc(NC[C@@H](C(C)C)N3CCN(C)CC3)n2n1 ZINC000610272968 1197211520 /nfs/dbraw/zinc/21/15/20/1197211520.db2.gz WDNIFJDCBYYTEO-AWEZNQCLSA-N 0 3 375.477 0.903 20 0 GCADHN O=C(Nc1ccn(CCN2CCOCC2)n1)NC1CCN([C@H]2CCOC2)CC1 ZINC000666125099 1197212204 /nfs/dbraw/zinc/21/22/04/1197212204.db2.gz RSFVXBQZDNWJEQ-KRWDZBQOSA-N 0 3 392.504 0.590 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CC1 ZINC000428536635 1197213893 /nfs/dbraw/zinc/21/38/93/1197213893.db2.gz RZEGNVMXQIOFOI-KRWDZBQOSA-N 0 3 396.513 0.368 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000986683992 1197220563 /nfs/dbraw/zinc/22/05/63/1197220563.db2.gz PSZIYZWVVDEXEE-TWMKSMIVSA-N 0 3 390.528 0.502 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C[C@@H]1N(C)C ZINC000760208682 1197224928 /nfs/dbraw/zinc/22/49/28/1197224928.db2.gz RAVGDIPGOFGAEO-HRCADAONSA-N 0 3 375.498 0.611 20 0 GCADHN O=C(NCc1cccc(OCCN2CCOCC2)c1)c1[nH]nc2c1CNCC2 ZINC000188742332 1197233294 /nfs/dbraw/zinc/23/32/94/1197233294.db2.gz BZJBVEYMISQWEY-UHFFFAOYSA-N 0 3 385.468 0.696 20 0 GCADHN CC[C@@H](CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)N1CCc2ccccc2C1 ZINC000666236390 1197249075 /nfs/dbraw/zinc/24/90/75/1197249075.db2.gz XOTHATDTFWFXBS-ROUUACIJSA-N 0 3 394.541 0.855 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000666237076 1197250017 /nfs/dbraw/zinc/25/00/17/1197250017.db2.gz AYUGOVNAOMNPEZ-UHFFFAOYSA-N 0 3 377.445 0.526 20 0 GCADHN CN(CCN(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC001142387943 1197253308 /nfs/dbraw/zinc/25/33/08/1197253308.db2.gz DVUSIRHRLUSPMX-UHFFFAOYSA-N 0 3 398.467 0.024 20 0 GCADHN Cn1ccnc1C[C@@H]1CCCN(CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000193456698 1197255169 /nfs/dbraw/zinc/25/51/69/1197255169.db2.gz LIRWJZWGETWHOQ-KRWDZBQOSA-N 0 3 383.500 0.813 20 0 GCADHN CC(C)N(C)CC(=O)N1CC[C@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001059789862 1197256803 /nfs/dbraw/zinc/25/68/03/1197256803.db2.gz BUGFAFGLNQJEKU-LSTDLKDCSA-N 0 3 381.517 0.733 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)N(C)C ZINC000453959094 1197263769 /nfs/dbraw/zinc/26/37/69/1197263769.db2.gz ZQWWVWNRUKEKRU-JTQLQIEISA-N 0 3 384.362 1.291 20 0 GCADHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150840 1197265197 /nfs/dbraw/zinc/26/51/97/1197265197.db2.gz RVVBBNQIGIWHHO-MRXNPFEDSA-N 0 3 376.505 0.604 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000666416340 1197274227 /nfs/dbraw/zinc/27/42/27/1197274227.db2.gz KEHVFFXUKXXZQU-UHFFFAOYSA-N 0 3 398.529 0.757 20 0 GCADHN CCc1c(C(=O)NC[C@@H]2CCCCN2CC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000154211673 1197277096 /nfs/dbraw/zinc/27/70/96/1197277096.db2.gz AAHMEXUDPICKDX-ZDUSSCGKSA-N 0 3 387.484 0.799 20 0 GCADHN CCc1c(C(=O)NC[C@H]2CCCCN2CC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000154211791 1197277326 /nfs/dbraw/zinc/27/73/26/1197277326.db2.gz AAHMEXUDPICKDX-CYBMUJFWSA-N 0 3 387.484 0.799 20 0 GCADHN Cn1cnn(-c2ccc(NC(=O)NC3CCN([C@H]4CCOC4)CC3)cc2)c1=O ZINC000666522358 1197285881 /nfs/dbraw/zinc/28/58/81/1197285881.db2.gz UCAAJRVHLYCKKF-KRWDZBQOSA-N 0 3 386.456 0.946 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000988007836 1197286043 /nfs/dbraw/zinc/28/60/43/1197286043.db2.gz SIZXPQLQOBLVHH-LSTDLKDCSA-N 0 3 379.501 0.441 20 0 GCADHN Cc1nc(C)c(CC(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C)c(=O)[n-]1 ZINC000988077980 1197290188 /nfs/dbraw/zinc/29/01/88/1197290188.db2.gz HBFOBICXZZHLBB-SMKXDYDZSA-N 0 3 389.500 0.787 20 0 GCADHN Cc1nc(C)c(CC(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C)c(=O)[n-]1 ZINC000988077980 1197290191 /nfs/dbraw/zinc/29/01/91/1197290191.db2.gz HBFOBICXZZHLBB-SMKXDYDZSA-N 0 3 389.500 0.787 20 0 GCADHN Cc1nc(C)c(CC(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)c(=O)[n-]1 ZINC000988323407 1197309408 /nfs/dbraw/zinc/30/94/08/1197309408.db2.gz DZWPIPWTEIMPDI-SMKXDYDZSA-N 0 3 389.500 0.787 20 0 GCADHN Cc1nc(C)c(CC(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)c(=O)[n-]1 ZINC000988323407 1197309414 /nfs/dbraw/zinc/30/94/14/1197309414.db2.gz DZWPIPWTEIMPDI-SMKXDYDZSA-N 0 3 389.500 0.787 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000532514788 1197321744 /nfs/dbraw/zinc/32/17/44/1197321744.db2.gz RKVKLRZFOZYTDW-SJLPKXTDSA-N 0 3 390.528 0.933 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c2ccccc2O1 ZINC000454087646 1197323050 /nfs/dbraw/zinc/32/30/50/1197323050.db2.gz GSBHPNQSRZGRLR-RHSMWYFYSA-N 0 3 388.468 0.468 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1C ZINC000454092009 1197323542 /nfs/dbraw/zinc/32/35/42/1197323542.db2.gz IZQIEILXIZXBCY-CQSZACIVSA-N 0 3 396.513 0.783 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)ccc1F ZINC000454096001 1197323953 /nfs/dbraw/zinc/32/39/53/1197323953.db2.gz LYESZZSVUHRMFC-CQSZACIVSA-N 0 3 389.435 0.989 20 0 GCADHN CNC(=O)[C@H]1CCCN([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000532559145 1197328443 /nfs/dbraw/zinc/32/84/43/1197328443.db2.gz SPMFUWNBONMOEB-ZBFHGGJFSA-N 0 3 375.469 0.963 20 0 GCADHN CCNC(=O)NC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)N(C)C)C2 ZINC001719915732 1197332671 /nfs/dbraw/zinc/33/26/71/1197332671.db2.gz IEXLVPZQEOOMLE-KBXIAJHMSA-N 0 3 381.521 0.672 20 0 GCADHN Cc1cccc(OCCNC(=O)CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000429728536 1197332910 /nfs/dbraw/zinc/33/29/10/1197332910.db2.gz YQFWAAYGBHDWJQ-IRXDYDNUSA-N 0 3 383.514 0.940 20 0 GCADHN COc1ccc(CN(CCO)C(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000897450560 1197333120 /nfs/dbraw/zinc/33/31/20/1197333120.db2.gz HSQNBPLYYPVVKI-MRXNPFEDSA-N 0 3 377.485 0.864 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)n(C)c1C ZINC000897450197 1197333163 /nfs/dbraw/zinc/33/31/63/1197333163.db2.gz GIELYGZLHVIUNS-CYBMUJFWSA-N 0 3 378.473 0.584 20 0 GCADHN C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)C(=O)NCCN3CCC(C)CC3)O2)[C@H]1C ZINC000897450004 1197333185 /nfs/dbraw/zinc/33/31/85/1197333185.db2.gz DSJSBOUMBFYNOB-OGNFBWPZSA-N 0 3 381.517 0.923 20 0 GCADHN CCN1CC[C@@H]1CNC(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000897453383 1197333634 /nfs/dbraw/zinc/33/36/34/1197333634.db2.gz KNRZCKACPAEUGI-MOPGFXCFSA-N 0 3 387.528 0.302 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000897451983 1197333710 /nfs/dbraw/zinc/33/37/10/1197333710.db2.gz QYSFJXOHUZGMAO-IRXDYDNUSA-N 0 3 381.517 0.927 20 0 GCADHN CCN1CC[C@H]1CNC(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000897453384 1197333761 /nfs/dbraw/zinc/33/37/61/1197333761.db2.gz KNRZCKACPAEUGI-OALUTQOASA-N 0 3 387.528 0.302 20 0 GCADHN O=C(CN1CCC[C@H](CN2CCOCC2)C1)NCCCN1CCCCCC1=O ZINC000112200607 1197333976 /nfs/dbraw/zinc/33/39/76/1197333976.db2.gz DPMSZAOYWGJIMZ-LJQANCHMSA-N 0 3 394.560 0.940 20 0 GCADHN C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000729266296 1197337198 /nfs/dbraw/zinc/33/71/98/1197337198.db2.gz VWOYCRVEDVUHTD-BXUZGUMPSA-N 0 3 393.513 0.588 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCc3cc(F)c(F)cc3C2)CC1 ZINC000897465543 1197339324 /nfs/dbraw/zinc/33/93/24/1197339324.db2.gz ZOZDKAFICNCJBO-UHFFFAOYSA-N 0 3 394.466 0.993 20 0 GCADHN O=C(CN1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1)NC1CC1 ZINC000118759158 1197339402 /nfs/dbraw/zinc/33/94/02/1197339402.db2.gz NLNISMMQTWHRCI-UHFFFAOYSA-N 0 3 378.517 0.444 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000332757411 1197342828 /nfs/dbraw/zinc/34/28/28/1197342828.db2.gz UMASQWQCBTXWES-VKJFTORMSA-N 0 3 376.505 0.082 20 0 GCADHN 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1197348392 /nfs/dbraw/zinc/34/83/92/1197348392.db2.gz WZQUICFUHIEOSB-LPHOPBHVSA-N 0 3 378.521 0.703 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000332970575 1197348579 /nfs/dbraw/zinc/34/85/79/1197348579.db2.gz AYWAXBMFEZDCDG-ROUUACIJSA-N 0 3 395.548 0.291 20 0 GCADHN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C[C@@H]1CCOC1 ZINC000532639872 1197352082 /nfs/dbraw/zinc/35/20/82/1197352082.db2.gz MPLMESNLCWFYET-INIZCTEOSA-N 0 3 381.498 0.488 20 0 GCADHN C[C@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[C@H]1N1CCN(C)CC1 ZINC000536529542 1197353709 /nfs/dbraw/zinc/35/37/09/1197353709.db2.gz HMOWWSIIZNQKOW-GOEBONIOSA-N 0 3 395.529 0.975 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000475898294 1197356175 /nfs/dbraw/zinc/35/61/75/1197356175.db2.gz ICOPUEGRBZDVCU-MRXNPFEDSA-N 0 3 390.550 0.599 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H]1Cc2ccc(OC)cc2C1 ZINC001168260257 1197356179 /nfs/dbraw/zinc/35/61/79/1197356179.db2.gz 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LAQMJDOQNFWWLK-ZIAGYGMSSA-N 0 3 386.518 0.098 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)CN(C)C)cc1 ZINC000614856760 1197389713 /nfs/dbraw/zinc/38/97/13/1197389713.db2.gz BDSZNLMZNZYHPD-RDJZCZTQSA-N 0 3 385.530 0.727 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000614858928 1197390261 /nfs/dbraw/zinc/39/02/61/1197390261.db2.gz MLECTENZBWSBIT-RVKKMQEKSA-N 0 3 381.473 0.755 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000614857404 1197390767 /nfs/dbraw/zinc/39/07/67/1197390767.db2.gz BCMRLQRRMZNHGK-QGZVFWFLSA-N 0 3 397.541 0.663 20 0 GCADHN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H](CO)CN(C)C)cc2)C1 ZINC000614858564 1197390900 /nfs/dbraw/zinc/39/09/00/1197390900.db2.gz JEZGHFHBNQWGIJ-HOCLYGCPSA-N 0 3 383.514 0.760 20 0 GCADHN NC(=O)c1csc(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000666720139 1197391400 /nfs/dbraw/zinc/39/14/00/1197391400.db2.gz ZDDVKFLHZXVFDO-SFHVURJKSA-N 0 3 389.481 0.678 20 0 GCADHN C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CN1Cc1ccccc1 ZINC000137518208 1197392525 /nfs/dbraw/zinc/39/25/25/1197392525.db2.gz PDWIFZBRRLCXDO-HOCLYGCPSA-N 0 3 391.497 0.478 20 0 GCADHN CN(CCCNC(=O)CNC1(c2ccccc2)CCOCC1)S(C)(=O)=O ZINC000532709205 1197395393 /nfs/dbraw/zinc/39/53/93/1197395393.db2.gz SZCZPZZWVVAPIT-UHFFFAOYSA-N 0 3 383.514 0.680 20 0 GCADHN O=c1[nH]c2ccccc2n1CCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000532711601 1197395600 /nfs/dbraw/zinc/39/56/00/1197395600.db2.gz QCLXLXZFVDAINZ-NVXWUHKLSA-N 0 3 394.497 0.219 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@@H]2CC=CCO2)CC1 ZINC001746135009 1197400628 /nfs/dbraw/zinc/40/06/28/1197400628.db2.gz JEMIHCIYQVUCRJ-KRWDZBQOSA-N 0 3 376.505 0.922 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(Cl)n1 ZINC000897493478 1197402047 /nfs/dbraw/zinc/40/20/47/1197402047.db2.gz CGCSHPUQOZBRRJ-ZDUSSCGKSA-N 0 3 381.908 0.659 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC[C@H]2CC(C)(C)CO2)CC1 ZINC000897494613 1197402995 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GCADHN Cn1nc(C(C)(C)C)cc1NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000532950082 1197422895 /nfs/dbraw/zinc/42/28/95/1197422895.db2.gz YAPIDTWJIRMZTG-UHFFFAOYSA-N 0 3 390.532 0.896 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)CC1 ZINC000454605696 1197422926 /nfs/dbraw/zinc/42/29/26/1197422926.db2.gz BLYZVZKPPQWQCI-DLBZAZTESA-N 0 3 382.553 0.705 20 0 GCADHN CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000454641592 1197424340 /nfs/dbraw/zinc/42/43/40/1197424340.db2.gz LMFUCJMXLXGPJX-CQSZACIVSA-N 0 3 395.529 0.648 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000533092217 1197432948 /nfs/dbraw/zinc/43/29/48/1197432948.db2.gz SDWIULSLBBUDMN-UHFFFAOYSA-N 0 3 383.470 0.531 20 0 GCADHN C[C@@H](CNC(=O)NCc1ccccc1CN1CCC(O)CC1)S(C)(=O)=O ZINC000533162406 1197435256 /nfs/dbraw/zinc/43/52/56/1197435256.db2.gz STYOJLDDYIKLCB-AWEZNQCLSA-N 0 3 383.514 0.876 20 0 GCADHN CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000061924908 1197438944 /nfs/dbraw/zinc/43/89/44/1197438944.db2.gz DKLFOYNNZUEYRT-UHFFFAOYSA-N 0 3 375.473 0.328 20 0 GCADHN CN1CCO[C@H](C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1 ZINC000246038197 1197443672 /nfs/dbraw/zinc/44/36/72/1197443672.db2.gz BBLGYWZRVACYJM-OALUTQOASA-N 0 3 387.528 0.773 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCCN2C)C1 ZINC000246044873 1197443732 /nfs/dbraw/zinc/44/37/32/1197443732.db2.gz ZHAAVIIQZSXTGD-HUUCEWRRSA-N 0 3 383.518 0.638 20 0 GCADHN CC(C)Cn1nccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000533316117 1197445163 /nfs/dbraw/zinc/44/51/63/1197445163.db2.gz VQEOHMUXFYAMFX-HNNXBMFYSA-N 0 3 390.488 0.243 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000533319971 1197445614 /nfs/dbraw/zinc/44/56/14/1197445614.db2.gz GDHWPTZLNYCOFR-CVEARBPZSA-N 0 3 393.488 0.427 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1)N1CCCC1 ZINC000533471793 1197453417 /nfs/dbraw/zinc/45/34/17/1197453417.db2.gz LYQUXPMKSKHTLY-CQSZACIVSA-N 0 3 381.498 0.813 20 0 GCADHN Cc1c(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cccc1S(N)(=O)=O ZINC000533594010 1197461340 /nfs/dbraw/zinc/46/13/40/1197461340.db2.gz UEDAZYROIMHPFI-MRXNPFEDSA-N 0 3 394.541 0.883 20 0 GCADHN CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000533650373 1197464764 /nfs/dbraw/zinc/46/47/64/1197464764.db2.gz YSKJEWHWGKRIIV-ZIAGYGMSSA-N 0 3 392.504 0.879 20 0 GCADHN CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000533650373 1197464765 /nfs/dbraw/zinc/46/47/65/1197464765.db2.gz YSKJEWHWGKRIIV-ZIAGYGMSSA-N 0 3 392.504 0.879 20 0 GCADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(CN2CCOCC2)CC1 ZINC000069028771 1197468643 /nfs/dbraw/zinc/46/86/43/1197468643.db2.gz HJFCCKOSWOCIJB-GFCCVEGCSA-N 0 3 380.411 0.807 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)ccc1F ZINC000069936208 1197469094 /nfs/dbraw/zinc/46/90/94/1197469094.db2.gz ZPWDEQOEASELMJ-AWEZNQCLSA-N 0 3 387.419 0.745 20 0 GCADHN Cc1ccncc1-c1noc([C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)n1 ZINC001212000627 1197469813 /nfs/dbraw/zinc/46/98/13/1197469813.db2.gz PVORUVJBNALIDN-HOTGVXAUSA-N 0 3 383.408 0.865 20 0 GCADHN CCN1CCO[C@@H](C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)C1 ZINC000074175448 1197471465 /nfs/dbraw/zinc/47/14/65/1197471465.db2.gz HKAPQWSCQIVVAR-LJQANCHMSA-N 0 3 376.501 0.972 20 0 GCADHN CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001212068207 1197483032 /nfs/dbraw/zinc/48/30/32/1197483032.db2.gz SSALQIFPRGFNBC-HOCLYGCPSA-N 0 3 384.440 0.869 20 0 GCADHN C[C@@H]1CN(C[C@H]2CCCN2CC(=O)NCC(C)(C)N2CCOCC2)C[C@@H](C)O1 ZINC000249802039 1197483090 /nfs/dbraw/zinc/48/30/90/1197483090.db2.gz DCKRMCSIKJNRDJ-GUDVDZBRSA-N 0 3 396.576 0.787 20 0 GCADHN CCN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CCCCC1 ZINC001482753590 1197487430 /nfs/dbraw/zinc/48/74/30/1197487430.db2.gz VRBLOIRVIZFQCR-SGTQZHETSA-N 0 3 393.528 0.658 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(CCO)C(C)(C)C2)c(OC)c1 ZINC000614920608 1197487469 /nfs/dbraw/zinc/48/74/69/1197487469.db2.gz LSSOKGNLMJIYDX-INIZCTEOSA-N 0 3 396.484 0.610 20 0 GCADHN CN(CC1CCCCC1)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001482770393 1197489029 /nfs/dbraw/zinc/48/90/29/1197489029.db2.gz RJFCQIUGZONTFW-MLHJIOFPSA-N 0 3 381.517 0.659 20 0 GCADHN Cc1c(C(=O)NCCc2nc(N)n[nH]2)nnn1-c1cccc2c1CCN(C)C2 ZINC000615019270 1197498212 /nfs/dbraw/zinc/49/82/12/1197498212.db2.gz FZSOIUNDENHHPT-UHFFFAOYSA-N 0 3 381.444 0.236 20 0 GCADHN Cc1nc(-c2noc([C@@H]3CCCN3C(=O)[C@@H](N)CCC(N)=O)n2)ccc1F ZINC001212076720 1197501401 /nfs/dbraw/zinc/50/14/01/1197501401.db2.gz QJKPNXGLLFMLDU-AAEUAGOBSA-N 0 3 376.392 0.835 20 0 GCADHN CCN(CCNCC(=O)NC(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001482952099 1197509553 /nfs/dbraw/zinc/50/95/53/1197509553.db2.gz XRMCJVAKYSCENS-OAGGEKHMSA-N 0 3 380.489 0.760 20 0 GCADHN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCNC[C@@H]1c1nccn1C ZINC000261623895 1197510990 /nfs/dbraw/zinc/51/09/90/1197510990.db2.gz ACASSATWEBNOMN-SWLSCSKDSA-N 0 3 381.440 0.588 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCNC[C@H]2c2cccc(F)c2)CC1 ZINC000261708836 1197512628 /nfs/dbraw/zinc/51/26/28/1197512628.db2.gz KEXUQYNMSHEHRX-SFHVURJKSA-N 0 3 391.491 0.004 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000261742370 1197513151 /nfs/dbraw/zinc/51/31/51/1197513151.db2.gz KVXSDVJSZMTLCO-SFHVURJKSA-N 0 3 396.495 0.575 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000261786491 1197514515 /nfs/dbraw/zinc/51/45/15/1197514515.db2.gz PUAPPEHYCPBUEM-QGZVFWFLSA-N 0 3 382.468 0.897 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000261815438 1197516063 /nfs/dbraw/zinc/51/60/63/1197516063.db2.gz TWQZSZYJYYFWSY-AWEZNQCLSA-N 0 3 388.497 0.583 20 0 GCADHN Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCNC[C@H]2c2nccn2C)c1 ZINC000261854838 1197516188 /nfs/dbraw/zinc/51/61/88/1197516188.db2.gz YMWMNUAYLLSOOD-INIZCTEOSA-N 0 3 399.434 0.428 20 0 GCADHN O=C(NC[C@@H]1CCCN(S(=O)(=O)c2c[n-]c3ncccc23)C1)[C@@H]1CCC[NH2+]1 ZINC000261919627 1197519300 /nfs/dbraw/zinc/51/93/00/1197519300.db2.gz UUZVUBFROUFGLR-ZFWWWQNUSA-N 0 3 391.497 0.832 20 0 GCADHN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000262229429 1197527427 /nfs/dbraw/zinc/52/74/27/1197527427.db2.gz VGCOPPFLIQTWEW-MJGOQNOKSA-N 0 3 376.501 0.584 20 0 GCADHN CCc1nnc2n1C[C@@H](NC(=O)N1CC[C@@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000611563548 1197527736 /nfs/dbraw/zinc/52/77/36/1197527736.db2.gz GWLBHNDHXPXIHA-DLBZAZTESA-N 0 3 389.548 0.965 20 0 GCADHN CN(CCNC(=O)C1CCN(Cc2noc(CN)n2)CC1)Cc1ccccc1 ZINC000262291043 1197528804 /nfs/dbraw/zinc/52/88/04/1197528804.db2.gz WAAXZNNNUZIKQZ-UHFFFAOYSA-N 0 3 386.500 0.989 20 0 GCADHN CO[C@@H](C)c1noc(CCC(=O)N[C@H](C)C(=O)NCCN2CCCCC2)n1 ZINC000508691015 1197550161 /nfs/dbraw/zinc/55/01/61/1197550161.db2.gz UUVMNKXMNRNDQC-KGLIPLIRSA-N 0 3 381.477 0.816 20 0 GCADHN CCC(CC)[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)N1CCOCC1 ZINC000428615239 1197554849 /nfs/dbraw/zinc/55/48/49/1197554849.db2.gz XZJGNKDSLMFLFA-RTBURBONSA-N 0 3 394.560 0.794 20 0 GCADHN C[C@@H](NC(=O)CN1CCc2ccccc2C1=O)C(=O)NCCN1CCCCC1 ZINC000508707333 1197555309 /nfs/dbraw/zinc/55/53/09/1197555309.db2.gz RUWWANFYWMRJMF-MRXNPFEDSA-N 0 3 386.496 0.792 20 0 GCADHN O=C(COC1CNC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000429752198 1197555407 /nfs/dbraw/zinc/55/54/07/1197555407.db2.gz ZVDSFVGBJNGVKP-UHFFFAOYSA-N 0 3 389.477 0.661 20 0 GCADHN CCC(CC)Nc1ccncc1NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000615117907 1197557264 /nfs/dbraw/zinc/55/72/64/1197557264.db2.gz KOICRARJJLYQAO-UHFFFAOYSA-N 0 3 393.469 0.911 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000455665730 1197562639 /nfs/dbraw/zinc/56/26/39/1197562639.db2.gz HNLKHYGZIICWGO-UHFFFAOYSA-N 0 3 380.474 0.545 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000455667804 1197562730 /nfs/dbraw/zinc/56/27/30/1197562730.db2.gz JZXAASAEXFNXNY-LJQANCHMSA-N 0 3 399.455 0.821 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000455671628 1197564214 /nfs/dbraw/zinc/56/42/14/1197564214.db2.gz SQLOZPQBQNOCOO-UHFFFAOYSA-N 0 3 387.492 0.178 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000533813439 1197568634 /nfs/dbraw/zinc/56/86/34/1197568634.db2.gz KYMYRAZBYXJAHY-DLBZAZTESA-N 0 3 382.530 0.883 20 0 GCADHN CN(C)[C@H](CNC(=O)CCn1cc(S(N)(=O)=O)cn1)Cc1ccccc1 ZINC000533810799 1197569210 /nfs/dbraw/zinc/56/92/10/1197569210.db2.gz GKZVPKGFHGOZTK-HNNXBMFYSA-N 0 3 379.486 0.210 20 0 GCADHN CCn1ccc(CNC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)n1 ZINC000611966698 1197570380 /nfs/dbraw/zinc/57/03/80/1197570380.db2.gz ISQKGHIFZOLAHB-UHFFFAOYSA-N 0 3 384.484 0.943 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N(CCC(N)=O)c1ccccc1OC ZINC000429767891 1197576382 /nfs/dbraw/zinc/57/63/82/1197576382.db2.gz PEVKQGCCLPSQQR-UONOGXRCSA-N 0 3 376.457 0.408 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000332972406 1197578679 /nfs/dbraw/zinc/57/86/79/1197578679.db2.gz FTLICUQINNXYJF-MSOLQXFVSA-N 0 3 386.496 0.345 20 0 GCADHN C[C@H](NC[C@H](O)[C@@H]1CCOC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000536857771 1197584627 /nfs/dbraw/zinc/58/46/27/1197584627.db2.gz MSLGOTAINPRUET-LESCRADOSA-N 0 3 384.498 0.756 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)C2)N(C)C ZINC000999752737 1198971654 /nfs/dbraw/zinc/97/16/54/1198971654.db2.gz BSBUBAMZHOGAHN-BFJAYTPKSA-N 0 3 375.473 0.562 20 0 GCADHN CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)N1)C2)N1CCCCC1 ZINC000999845133 1198979824 /nfs/dbraw/zinc/97/98/24/1198979824.db2.gz UQNAUCULHBLFFA-BARDWOONSA-N 0 3 377.489 0.180 20 0 GCADHN COCCN1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC2(CCOCC2)C1 ZINC001089947695 1199007555 /nfs/dbraw/zinc/00/75/55/1199007555.db2.gz MZVHCJRDWGZEEG-XWTMOSNGSA-N 0 3 382.501 0.672 20 0 GCADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)N(CCOC)CCN(C)C)c1 ZINC000265721605 1199008817 /nfs/dbraw/zinc/00/88/17/1199008817.db2.gz ZCFIQDGWTBNNKW-UHFFFAOYSA-N 0 3 379.461 0.803 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)C[C@H]1C ZINC000298237490 1199017517 /nfs/dbraw/zinc/01/75/17/1199017517.db2.gz BYQYEQOQNZDSGO-CZUORRHYSA-N 0 3 379.457 0.746 20 0 GCADHN CN1CCC(O)(C(=O)N2CC[C@@]3(CCN(CCC(F)(F)F)C3=O)C2)CC1 ZINC001272835172 1199019742 /nfs/dbraw/zinc/01/97/42/1199019742.db2.gz DDUHVXSLZFVRDK-HNNXBMFYSA-N 0 3 377.407 0.847 20 0 GCADHN COCCNCc1cccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001128112831 1199053866 /nfs/dbraw/zinc/05/38/66/1199053866.db2.gz OEOQOXPSYLSECI-UQZKUAJDSA-N 0 3 386.496 0.936 20 0 GCADHN CC[C@@H](C(N)=O)N1CCC(C2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)CC1 ZINC001000218573 1199060197 /nfs/dbraw/zinc/06/01/97/1199060197.db2.gz JBDZBHDHFYDUQO-QSPRXWTASA-N 0 3 379.501 0.663 20 0 GCADHN COC(=O)[C@H](C)Oc1ccccc1CNCCC(=O)N1CCN(C(C)=O)CC1 ZINC000921708666 1199060902 /nfs/dbraw/zinc/06/09/02/1199060902.db2.gz ISWAEQWFDVKCRC-HNNXBMFYSA-N 0 3 391.468 0.797 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000057712979 1199064821 /nfs/dbraw/zinc/06/48/21/1199064821.db2.gz HALPRDDOGVWMOT-CYBMUJFWSA-N 0 3 377.489 0.446 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000057712979 1199064831 /nfs/dbraw/zinc/06/48/31/1199064831.db2.gz HALPRDDOGVWMOT-CYBMUJFWSA-N 0 3 377.489 0.446 20 0 GCADHN C[C@@H](NC(=O)NCC1(O)CCS(=O)(=O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000508899671 1199072196 /nfs/dbraw/zinc/07/21/96/1199072196.db2.gz VJHCJJBAXBFRAZ-ZBFHGGJFSA-N 0 3 383.514 0.917 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000265731878 1199081289 /nfs/dbraw/zinc/08/12/89/1199081289.db2.gz SHHNFEUDBWDWBO-RTBURBONSA-N 0 3 376.501 0.907 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000656078833 1199092015 /nfs/dbraw/zinc/09/20/15/1199092015.db2.gz CJEMXVWHNLHAFC-MRXNPFEDSA-N 0 3 382.549 0.623 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)nc1 ZINC000656085675 1199099643 /nfs/dbraw/zinc/09/96/43/1199099643.db2.gz KBMCHEUTJLRNGJ-HNNXBMFYSA-N 0 3 375.473 0.707 20 0 GCADHN C[C@@H]1Oc2c(cccc2C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)NC1=O ZINC000269009404 1199101604 /nfs/dbraw/zinc/10/16/04/1199101604.db2.gz XALLQEYRSFCDHP-XJKSGUPXSA-N 0 3 386.452 0.785 20 0 GCADHN Cc1ccncc1[C@H](C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672110867 1199107508 /nfs/dbraw/zinc/10/75/08/1199107508.db2.gz NQVSCENKIOTKKG-DOTOQJQBSA-N 0 3 389.500 0.626 20 0 GCADHN C[C@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCCCO1 ZINC000672111338 1199109605 /nfs/dbraw/zinc/10/96/05/1199109605.db2.gz PLFMBNCWLRUYRH-ARFHVFGLSA-N 0 3 382.505 0.119 20 0 GCADHN C[C@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CCCCO1 ZINC000672111339 1199109850 /nfs/dbraw/zinc/10/98/50/1199109850.db2.gz PLFMBNCWLRUYRH-HRCADAONSA-N 0 3 382.505 0.119 20 0 GCADHN COCCN1CC[C@H](NC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)C1 ZINC000265759568 1199131200 /nfs/dbraw/zinc/13/12/00/1199131200.db2.gz QSRMHSNNBZTWML-KRWDZBQOSA-N 0 3 386.500 0.882 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000110866201 1199142692 /nfs/dbraw/zinc/14/26/92/1199142692.db2.gz UBHCTIOUMRCCCH-INIZCTEOSA-N 0 3 382.530 0.449 20 0 GCADHN C[C@H]1CCCN1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000265766594 1199143323 /nfs/dbraw/zinc/14/33/23/1199143323.db2.gz DAFCDZRVYDCKFA-HNNXBMFYSA-N 0 3 381.498 0.808 20 0 GCADHN Cc1nc(N[C@@H]2CCc3c(nnn3C)C2)cc(N[C@@H]2CCc3c(nnn3C)C2)n1 ZINC000656218432 1199147617 /nfs/dbraw/zinc/14/76/17/1199147617.db2.gz DCCNKHHGQBDILT-CHWSQXEVSA-N 0 3 394.487 0.981 20 0 GCADHN CN(C[C@H](O)CNCC(=O)NC1CCOCC1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001486278203 1199157336 /nfs/dbraw/zinc/15/73/36/1199157336.db2.gz MBRRARMHMDBTFJ-CYGHRXIMSA-N 0 3 379.501 0.293 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000672203953 1199158280 /nfs/dbraw/zinc/15/82/80/1199158280.db2.gz NTLIIXNFJQFCQH-HNNXBMFYSA-N 0 3 381.521 0.629 20 0 GCADHN CN(C[C@H](O)CNCC(=O)NC1CCCCC1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001486289376 1199158394 /nfs/dbraw/zinc/15/83/94/1199158394.db2.gz AOYQQOPNOIQOIK-LKCYJCQHSA-N 0 3 381.517 0.659 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672204489 1199158975 /nfs/dbraw/zinc/15/89/75/1199158975.db2.gz KBYITMPNGQDIIF-SJORKVTESA-N 0 3 378.517 0.884 20 0 GCADHN CN(C[C@H](O)CNCC(=O)N(C)C1CCCCC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001486300827 1199159249 /nfs/dbraw/zinc/15/92/49/1199159249.db2.gz GOBORDDUJLLKQQ-TVFCKZIOSA-N 0 3 381.517 0.754 20 0 GCADHN CC(=O)c1ccc(NC2CCN(CCC(=O)N(C)C)CC2)c(S(N)(=O)=O)c1 ZINC000672212156 1199160087 /nfs/dbraw/zinc/16/00/87/1199160087.db2.gz KJLZWLXBLMKCMJ-UHFFFAOYSA-N 0 3 396.513 0.891 20 0 GCADHN O=C(CCN1CCN(c2ccccc2)CC1)NCCN1CCCS1(=O)=O ZINC000172722371 1199164161 /nfs/dbraw/zinc/16/41/61/1199164161.db2.gz BHICSCNEATTYJG-UHFFFAOYSA-N 0 3 380.514 0.350 20 0 GCADHN O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656316413 1199169413 /nfs/dbraw/zinc/16/94/13/1199169413.db2.gz RNKCDXHTVSOWFW-NCXUSEDFSA-N 0 3 392.544 0.879 20 0 GCADHN CC1(C)[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)[C@@H]2CCCO[C@@H]21 ZINC000465921405 1199176976 /nfs/dbraw/zinc/17/69/76/1199176976.db2.gz CWGLBKOPWSUXBV-KSZLIROESA-N 0 3 382.549 0.879 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000265780375 1199180548 /nfs/dbraw/zinc/18/05/48/1199180548.db2.gz GZFAULCAIYVCQQ-UHFFFAOYSA-N 0 3 398.485 0.142 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1COc2c(cccc2OC)C1 ZINC000672269224 1199182428 /nfs/dbraw/zinc/18/24/28/1199182428.db2.gz MTHUMUVNJJGWAS-HNNXBMFYSA-N 0 3 379.457 0.152 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000656356204 1199188465 /nfs/dbraw/zinc/18/84/65/1199188465.db2.gz RNTPPYHVJJVNEV-OALUTQOASA-N 0 3 392.544 0.690 20 0 GCADHN CC(C)N1C(=O)CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1(C)C ZINC000656357628 1199189301 /nfs/dbraw/zinc/18/93/01/1199189301.db2.gz ZXDJNYMMGLECPO-JKSUJKDBSA-N 0 3 378.517 0.977 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000672306109 1199196728 /nfs/dbraw/zinc/19/67/28/1199196728.db2.gz RTNJDFRBZQCACJ-OAHLLOKOSA-N 0 3 377.514 0.388 20 0 GCADHN COc1ccccc1CN(CCO)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672305807 1199197586 /nfs/dbraw/zinc/19/75/86/1199197586.db2.gz DXGUFTRKTRJYLH-KRWDZBQOSA-N 0 3 375.469 0.617 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H](C)O1 ZINC000672308249 1199199057 /nfs/dbraw/zinc/19/90/57/1199199057.db2.gz GUEAROHMCOHYET-JFRXWTBNSA-N 0 3 392.544 0.687 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C(=O)N1c1ccccc1 ZINC000672308655 1199199152 /nfs/dbraw/zinc/19/91/52/1199199152.db2.gz WULUBNUTCHKPDC-QGPMSJSTSA-N 0 3 384.480 0.897 20 0 GCADHN CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000672308537 1199199406 /nfs/dbraw/zinc/19/94/06/1199199406.db2.gz RZEZZTQOOWFKOV-TZMCWYRMSA-N 0 3 379.461 0.726 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000672310085 1199200240 /nfs/dbraw/zinc/20/02/40/1199200240.db2.gz GEDMXJAATHFFHW-KURKYZTESA-N 0 3 378.517 0.347 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000672309465 1199201996 /nfs/dbraw/zinc/20/19/96/1199201996.db2.gz STYHUDNHEKIHJR-AWEZNQCLSA-N 0 3 376.423 0.684 20 0 GCADHN C[C@H](c1nccs1)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672311926 1199202854 /nfs/dbraw/zinc/20/28/54/1199202854.db2.gz VYJGDLXHNXKPHL-ZBFHGGJFSA-N 0 3 391.541 0.949 20 0 GCADHN C[C@H](N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1)C(F)(F)F ZINC000672310548 1199203286 /nfs/dbraw/zinc/20/32/86/1199203286.db2.gz YHMXXBSZNGCVCT-GXTWGEPZSA-N 0 3 376.423 0.682 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000672339383 1199211959 /nfs/dbraw/zinc/21/19/59/1199211959.db2.gz HPFAYSAYVWZCNI-HNNXBMFYSA-N 0 3 398.454 0.744 20 0 GCADHN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000465947989 1199213397 /nfs/dbraw/zinc/21/33/97/1199213397.db2.gz AQURFIHNTVLWFF-SFHVURJKSA-N 0 3 375.517 0.586 20 0 GCADHN CCN1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000265794302 1199216609 /nfs/dbraw/zinc/21/66/09/1199216609.db2.gz JDHLPORUHXKXKI-AWEZNQCLSA-N 0 3 394.497 0.241 20 0 GCADHN COc1ccnc(N2CCN(C(=O)NC[C@H](C)CN3CCOCC3)CC2)c1 ZINC000265797843 1199232799 /nfs/dbraw/zinc/23/27/99/1199232799.db2.gz MVTNYVWXNAKIBZ-INIZCTEOSA-N 0 3 377.489 0.890 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)CC1 ZINC000672442522 1199234864 /nfs/dbraw/zinc/23/48/64/1199234864.db2.gz UHRIJIJWYXEPKD-GFCCVEGCSA-N 0 3 383.411 0.374 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000265799663 1199235409 /nfs/dbraw/zinc/23/54/09/1199235409.db2.gz NAYZXXKYKMRITI-UHFFFAOYSA-N 0 3 394.497 0.749 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1=O ZINC000172805632 1199235735 /nfs/dbraw/zinc/23/57/35/1199235735.db2.gz ZSFZWWUHLPXVOW-HIFRSBDPSA-N 0 3 392.887 0.972 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459891 1199237306 /nfs/dbraw/zinc/23/73/06/1199237306.db2.gz WWBQXYGDUKWTSQ-HNNXBMFYSA-N 0 3 389.500 0.279 20 0 GCADHN C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@H]1CN(C)CCO1 ZINC000672470394 1199241017 /nfs/dbraw/zinc/24/10/17/1199241017.db2.gz DDFNSEWKGAKITD-UCHQMPSGSA-N 0 3 381.521 0.088 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)c1cncnc1)C(=O)c1cncnc1 ZINC000672467137 1199241483 /nfs/dbraw/zinc/24/14/83/1199241483.db2.gz UXRWYYWUACXACT-UHFFFAOYSA-N 0 3 383.456 0.577 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC000921992435 1199264292 /nfs/dbraw/zinc/26/42/92/1199264292.db2.gz VUGUJTJHXBNDNP-PVAVHDDUSA-N 0 3 380.514 0.827 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)N(C)Cc1ccccc1 ZINC000672588505 1199275024 /nfs/dbraw/zinc/27/50/24/1199275024.db2.gz RCGWVXMKODJEEY-XYJFISCASA-N 0 3 376.501 0.458 20 0 GCADHN C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H](C)C1 ZINC000672629802 1199285314 /nfs/dbraw/zinc/28/53/14/1199285314.db2.gz TYMABIXNGZTULY-IKGGRYGDSA-N 0 3 378.517 0.694 20 0 GCADHN C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H](C)C1 ZINC000672629801 1199285500 /nfs/dbraw/zinc/28/55/00/1199285500.db2.gz TYMABIXNGZTULY-BRWVUGGUSA-N 0 3 378.517 0.694 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN(c2nccnc2C)CC1 ZINC000672655150 1199310405 /nfs/dbraw/zinc/31/04/05/1199310405.db2.gz MUTZGTMGORGXMQ-KRWDZBQOSA-N 0 3 388.516 0.814 20 0 GCADHN CC(C)N1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1=O ZINC000672657410 1199311628 /nfs/dbraw/zinc/31/16/28/1199311628.db2.gz CXSIXVUDYBSFIA-QZTJIDSGSA-N 0 3 386.496 0.845 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CCN(c2cc(C)[nH]n2)CC1 ZINC000672693864 1199314681 /nfs/dbraw/zinc/31/46/81/1199314681.db2.gz FKZJCZYGCBYPBK-HNNXBMFYSA-N 0 3 376.505 0.794 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000672695454 1199316185 /nfs/dbraw/zinc/31/61/85/1199316185.db2.gz HBGHFMRZIUPMHV-OAHLLOKOSA-N 0 3 376.457 0.555 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000672698251 1199318665 /nfs/dbraw/zinc/31/86/65/1199318665.db2.gz NMGROTYNPMALTR-CABCVRRESA-N 0 3 390.488 0.022 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000672699682 1199319806 /nfs/dbraw/zinc/31/98/06/1199319806.db2.gz CADCACZEUAXASQ-IAGOWNOFSA-N 0 3 380.533 0.988 20 0 GCADHN CCc1ccccc1NC(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000077848433 1199335211 /nfs/dbraw/zinc/33/52/11/1199335211.db2.gz VTFZUWPNOYGQGL-UHFFFAOYSA-N 0 3 376.501 0.694 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1COCCO1)N1CCCCC1 ZINC001002910474 1199340731 /nfs/dbraw/zinc/34/07/31/1199340731.db2.gz RHXKDLAOGBDTAL-WCXIOVBPSA-N 0 3 379.501 0.914 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC000672854557 1199351896 /nfs/dbraw/zinc/35/18/96/1199351896.db2.gz WEEZZSGIAHWFFH-CHWSQXEVSA-N 0 3 394.438 0.307 20 0 GCADHN CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@H]1CCCc2c1cnn2C ZINC000672854630 1199351951 /nfs/dbraw/zinc/35/19/51/1199351951.db2.gz QBQPLVZXOGFMFK-INIZCTEOSA-N 0 3 390.532 0.398 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CC1(C)C ZINC000672854116 1199353272 /nfs/dbraw/zinc/35/32/72/1199353272.db2.gz FSPZNYGQXOPLCB-OAHLLOKOSA-N 0 3 376.505 0.258 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCc3nnc(C)n3C2)CC1 ZINC000466021782 1199363897 /nfs/dbraw/zinc/36/38/97/1199363897.db2.gz YTRYFKUDWIQVTP-DOTOQJQBSA-N 0 3 377.537 0.722 20 0 GCADHN COC1(CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)CCOCC1 ZINC000672992939 1199384942 /nfs/dbraw/zinc/38/49/42/1199384942.db2.gz NTTXPNCJGYDCTL-UHFFFAOYSA-N 0 3 381.473 0.790 20 0 GCADHN COc1c(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cccc1C(N)=O ZINC000543034874 1199387900 /nfs/dbraw/zinc/38/79/00/1199387900.db2.gz WMAVJXPGHALQPQ-CYBMUJFWSA-N 0 3 392.456 0.302 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c2ccccc2O1 ZINC000066223170 1199391755 /nfs/dbraw/zinc/39/17/55/1199391755.db2.gz VNULXTGROXVYQF-PBHICJAKSA-N 0 3 386.452 0.223 20 0 GCADHN COc1cccc(C[C@H](O)C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000682376856 1199451916 /nfs/dbraw/zinc/45/19/16/1199451916.db2.gz KKMNPYMMKLNVAR-MSOLQXFVSA-N 0 3 375.469 0.539 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@H]1C ZINC000673148497 1199455980 /nfs/dbraw/zinc/45/59/80/1199455980.db2.gz MJYFQKWUFGKOOS-MRXNPFEDSA-N 0 3 394.491 0.947 20 0 GCADHN O=C([C@@H]1CCS(=O)(=O)N1)N1CCC2(CCCN(Cc3cn[nH]c3)C2)CC1 ZINC001272981855 1199456228 /nfs/dbraw/zinc/45/62/28/1199456228.db2.gz KOUSTMJNOADMFP-HNNXBMFYSA-N 0 3 381.502 0.306 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCC(=O)NC2)C3)CCC1 ZINC001003288754 1199478438 /nfs/dbraw/zinc/47/84/38/1199478438.db2.gz MAVMMZFNNHOSEM-FPCVCCKLSA-N 0 3 376.501 0.635 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)N(CCO)CCN2CCOCC2)CCN1Cc1ccccc1 ZINC000673236310 1199495041 /nfs/dbraw/zinc/49/50/41/1199495041.db2.gz UJQMOPWUYILMBG-QUCCMNQESA-N 0 3 390.528 0.986 20 0 GCADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCCN1CCN(C)CC1 ZINC000067246062 1199499203 /nfs/dbraw/zinc/49/92/03/1199499203.db2.gz FODCHYDWTHYTSZ-QGZVFWFLSA-N 0 3 386.504 0.607 20 0 GCADHN CC(C)N1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)CC1=O ZINC001003345577 1199502224 /nfs/dbraw/zinc/50/22/24/1199502224.db2.gz HPWWNDBHDWYWJP-VQHPVUNQSA-N 0 3 376.501 0.587 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C3)CC1 ZINC001003346161 1199503088 /nfs/dbraw/zinc/50/30/88/1199503088.db2.gz KFYCPQDDIFSNER-VQHPVUNQSA-N 0 3 376.501 0.445 20 0 GCADHN CCn1c(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)nc2ccccc21 ZINC000785463771 1199511988 /nfs/dbraw/zinc/51/19/88/1199511988.db2.gz UXDRWUNRCKAELB-LSDHHAIUSA-N 0 3 385.468 0.652 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(=O)N(C)C1)C2)C1CCC1 ZINC001003381324 1199516842 /nfs/dbraw/zinc/51/68/42/1199516842.db2.gz DTAJEFSCFRZFCT-DZUCGIPZSA-N 0 3 376.501 0.587 20 0 GCADHN CC[C@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000271644122 1199517949 /nfs/dbraw/zinc/51/79/49/1199517949.db2.gz HWDBQXSWJMBPDA-IBGZPJMESA-N 0 3 388.512 0.730 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCNC2=O)C3)CC1 ZINC001003418021 1199530200 /nfs/dbraw/zinc/53/02/00/1199530200.db2.gz HMNMYDQNJXTCCO-TWMKSMIVSA-N 0 3 376.501 0.493 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCCS2)CC1 ZINC000673335945 1199548052 /nfs/dbraw/zinc/54/80/52/1199548052.db2.gz GKALIRGAMMNVPH-KDOFPFPSSA-N 0 3 382.530 0.153 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn4ccncc24)C3)C1 ZINC001003500216 1199568463 /nfs/dbraw/zinc/56/84/63/1199568463.db2.gz OIYMNENWCCXXGV-SRABZTEZSA-N 0 3 382.468 0.933 20 0 GCADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000673353441 1199569660 /nfs/dbraw/zinc/56/96/60/1199569660.db2.gz QQFIZUJGQNFZPO-ZWKOTPCHSA-N 0 3 386.496 0.846 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673359213 1199570366 /nfs/dbraw/zinc/57/03/66/1199570366.db2.gz FEMNJKXESLHQTD-KRWDZBQOSA-N 0 3 378.517 0.836 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673359215 1199570677 /nfs/dbraw/zinc/57/06/77/1199570677.db2.gz FEMNJKXESLHQTD-QGZVFWFLSA-N 0 3 378.517 0.836 20 0 GCADHN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000673356867 1199575309 /nfs/dbraw/zinc/57/53/09/1199575309.db2.gz HJUSBXGZDNULLI-ROUUACIJSA-N 0 3 390.528 0.981 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H](C)N3C(=O)CCC3=O)cc2)CC1 ZINC000068107448 1199585935 /nfs/dbraw/zinc/58/59/35/1199585935.db2.gz ABXGWTHQWHDSFE-MRXNPFEDSA-N 0 3 386.496 0.978 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000265840049 1199601403 /nfs/dbraw/zinc/60/14/03/1199601403.db2.gz QARLWTYIGBHKAC-KRWDZBQOSA-N 0 3 379.457 0.829 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)C2)N(C)C ZINC001003621940 1199603074 /nfs/dbraw/zinc/60/30/74/1199603074.db2.gz RWWWWDQNZCYMCR-KBXIAJHMSA-N 0 3 375.473 0.589 20 0 GCADHN CNC(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H]2CCc3nc(COC)nn3C2)c1 ZINC000466300355 1199609599 /nfs/dbraw/zinc/60/95/99/1199609599.db2.gz UYJPGPMBLKKZMF-IUODEOHRSA-N 0 3 386.456 0.716 20 0 GCADHN CNC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H]2CCc3nc(COC)nn3C2)c1 ZINC000466300356 1199609748 /nfs/dbraw/zinc/60/97/48/1199609748.db2.gz UYJPGPMBLKKZMF-SWLSCSKDSA-N 0 3 386.456 0.716 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000116649790 1199617567 /nfs/dbraw/zinc/61/75/67/1199617567.db2.gz WQTSQYQLDOETLT-QGZVFWFLSA-N 0 3 392.475 0.543 20 0 GCADHN O=C(CCCN1CCN(c2ccccc2)CC1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000116741025 1199628788 /nfs/dbraw/zinc/62/87/88/1199628788.db2.gz MJYMJKSRISZGMI-GOSISDBHSA-N 0 3 384.480 0.995 20 0 GCADHN Cn1cnc2cncc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@H]3CCCN3C)c21 ZINC001003689670 1199631545 /nfs/dbraw/zinc/63/15/45/1199631545.db2.gz WBOCLPXGDJTCLZ-QIJZBDPFSA-N 0 3 382.468 0.924 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C3)CCC1 ZINC001003709660 1199636823 /nfs/dbraw/zinc/63/68/23/1199636823.db2.gz BFIOMCXIEWGHJH-CUYVQJCZSA-N 0 3 376.501 0.635 20 0 GCADHN CN(C)c1nc(N)nc(CN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)n1 ZINC000466363955 1199650421 /nfs/dbraw/zinc/65/04/21/1199650421.db2.gz HUYWTQRFRREIPV-IBGZPJMESA-N 0 3 396.455 0.216 20 0 GCADHN Cc1nnc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)CN3CCCC3)cn12 ZINC001003808703 1199675789 /nfs/dbraw/zinc/67/57/89/1199675789.db2.gz IWDFTMPBRBOPME-ZACQAIPSSA-N 0 3 382.468 0.995 20 0 GCADHN Cn1nnc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)CN3CCCC3)ccc21 ZINC001003857445 1199686667 /nfs/dbraw/zinc/68/66/67/1199686667.db2.gz FDSXRQIEEIOHQK-RKVPGOIHSA-N 0 3 382.468 0.926 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000673471367 1199688711 /nfs/dbraw/zinc/68/87/11/1199688711.db2.gz MLLFVBQMXNCSFM-DLBZAZTESA-N 0 3 396.532 0.319 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2[nH]nc4c2CCC4)C3)O1 ZINC001003928235 1199710571 /nfs/dbraw/zinc/71/05/71/1199710571.db2.gz FDBGPKKCSQTPGA-YUNRHHNCSA-N 0 3 387.484 0.479 20 0 GCADHN CCc1c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000158203718 1199716127 /nfs/dbraw/zinc/71/61/27/1199716127.db2.gz IYYWNIZTDMYVGU-RYUDHWBXSA-N 0 3 385.468 0.550 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCCC2=O)C3)C1 ZINC001003940375 1199716728 /nfs/dbraw/zinc/71/67/28/1199716728.db2.gz HMYFRNVNNJEMNC-VQHPVUNQSA-N 0 3 376.501 0.589 20 0 GCADHN CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCCC1=O)C2)C1CC1 ZINC001003940408 1199716935 /nfs/dbraw/zinc/71/69/35/1199716935.db2.gz JBIIUUPHXBTPLC-OAFZBRQQSA-N 0 3 376.501 0.587 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCCC2=O)C3)C1 ZINC001003940374 1199716946 /nfs/dbraw/zinc/71/69/46/1199716946.db2.gz HMYFRNVNNJEMNC-HZMVEIRTSA-N 0 3 376.501 0.589 20 0 GCADHN O=C([C@@H]1CCCN1S(=O)(=O)c1cccs1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673514029 1199722987 /nfs/dbraw/zinc/72/29/87/1199722987.db2.gz UZAOKQJEUBTPPL-ZNMIVQPWSA-N 0 3 399.538 0.569 20 0 GCADHN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673517935 1199725864 /nfs/dbraw/zinc/72/58/64/1199725864.db2.gz PDOCQHSYEMODFN-CABCVRRESA-N 0 3 386.452 0.419 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673516906 1199726063 /nfs/dbraw/zinc/72/60/63/1199726063.db2.gz YTGCLBLSOOCRIU-IAGOWNOFSA-N 0 3 395.525 0.998 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673517500 1199727280 /nfs/dbraw/zinc/72/72/80/1199727280.db2.gz UTTLUTRYWZFDQE-RCCFBDPRSA-N 0 3 388.447 0.572 20 0 GCADHN CCS(=O)(=O)NCc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673516302 1199728702 /nfs/dbraw/zinc/72/87/02/1199728702.db2.gz NXHAVQKJIDEXFP-SJORKVTESA-N 0 3 381.498 0.407 20 0 GCADHN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673515619 1199728717 /nfs/dbraw/zinc/72/87/17/1199728717.db2.gz DBCBZDJBJZRORK-JKSUJKDBSA-N 0 3 381.498 0.654 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCOCC1)C2)N(C)C ZINC001003968422 1199729391 /nfs/dbraw/zinc/72/93/91/1199729391.db2.gz JEDOACODJJLFSO-OBVSXPTNSA-N 0 3 380.533 0.541 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000673521477 1199733998 /nfs/dbraw/zinc/73/39/98/1199733998.db2.gz CDAQUJMRBBRXLT-AWEZNQCLSA-N 0 3 381.454 0.410 20 0 GCADHN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](CO)CN(C)C)cc1 ZINC000673522333 1199734109 /nfs/dbraw/zinc/73/41/09/1199734109.db2.gz GPULGGNLRKAQIL-ZDUSSCGKSA-N 0 3 379.486 0.715 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000673529956 1199736011 /nfs/dbraw/zinc/73/60/11/1199736011.db2.gz GCYSCHOZBHISQQ-HUUCEWRRSA-N 0 3 389.452 0.384 20 0 GCADHN O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3n[nH]c(=O)n3c1)C2 ZINC001004014240 1199751793 /nfs/dbraw/zinc/75/17/93/1199751793.db2.gz GWUMTODOJGTFHN-MCIONIFRSA-N 0 3 381.396 0.262 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000499799586 1199762615 /nfs/dbraw/zinc/76/26/15/1199762615.db2.gz RTKDAXOEBFWOTH-DLBZAZTESA-N 0 3 388.468 0.724 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)c(OC)c[nH]1)C2)N(C)C ZINC001004106026 1199775227 /nfs/dbraw/zinc/77/52/27/1199775227.db2.gz JDMOKHSBCKUIGW-UXOAXIEHSA-N 0 3 376.457 0.585 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)[C@@H]2C1 ZINC000272519205 1199775412 /nfs/dbraw/zinc/77/54/12/1199775412.db2.gz YDDIXFIDAJCLFQ-LSDHHAIUSA-N 0 3 376.461 0.300 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccc(OC)c(F)c2)CC1=O ZINC000673549509 1199780371 /nfs/dbraw/zinc/78/03/71/1199780371.db2.gz HIYOHEISCLVFLV-HNNXBMFYSA-N 0 3 381.448 0.672 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC1=O ZINC000673549490 1199780534 /nfs/dbraw/zinc/78/05/34/1199780534.db2.gz DPYJXKNCQYBBPZ-FCLJQHQZSA-N 0 3 379.501 0.677 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@](C)(O)[C@H](C)c2ccccc2)CC1=O ZINC000673549539 1199781196 /nfs/dbraw/zinc/78/11/96/1199781196.db2.gz MEGKWTZMBKKTBG-HGHGUNKESA-N 0 3 391.512 0.836 20 0 GCADHN CC[C@H](CN1CCOCC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000922447541 1199790543 /nfs/dbraw/zinc/79/05/43/1199790543.db2.gz IOXCBDPOJRNAIX-CSNJMZFVSA-N 0 3 395.548 0.480 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1)N1CCOCC1 ZINC001004154553 1199792151 /nfs/dbraw/zinc/79/21/51/1199792151.db2.gz TUDHLCIEKYBGCF-OAGGEKHMSA-N 0 3 375.473 0.311 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1)N1CCOCC1 ZINC001004154108 1199792279 /nfs/dbraw/zinc/79/22/79/1199792279.db2.gz NWUBCDYCLQEFRP-ZACQAIPSSA-N 0 3 378.517 0.441 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCOCC1)C2 ZINC001004152829 1199792288 /nfs/dbraw/zinc/79/22/88/1199792288.db2.gz IEZDLOJXMBYEBR-WCXIOVBPSA-N 0 3 378.517 0.440 20 0 GCADHN O=C(CN1CCS(=O)(=O)CC1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000653031216 1199793291 /nfs/dbraw/zinc/79/32/91/1199793291.db2.gz KKUIFDSVZHUFMK-UHFFFAOYSA-N 0 3 388.493 0.614 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000272583970 1199801773 /nfs/dbraw/zinc/80/17/73/1199801773.db2.gz GYOLOAARNCNFJZ-CRAIPNDOSA-N 0 3 393.509 0.874 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCCN(C(C)C)CC2)[C@@H](C)O)cc1 ZINC000499918892 1199812769 /nfs/dbraw/zinc/81/27/69/1199812769.db2.gz XNEZZXVMWBCJEU-AEFFLSMTSA-N 0 3 397.541 0.965 20 0 GCADHN CO[C@@H](C)CN(C)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000508957777 1199828512 /nfs/dbraw/zinc/82/85/12/1199828512.db2.gz FDRKTBIZQWOKIZ-AWEZNQCLSA-N 0 3 390.484 0.816 20 0 GCADHN CCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCN(CC)C[C@@H]3C)O2)[C@H](C)C1 ZINC000329383989 1199840692 /nfs/dbraw/zinc/84/06/92/1199840692.db2.gz OUGKLBFZNAGWAQ-USTZCAOPSA-N 0 3 380.533 0.639 20 0 GCADHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)CC1CCS(=O)(=O)CC1 ZINC001273038664 1199847955 /nfs/dbraw/zinc/84/79/55/1199847955.db2.gz OTNXZXTXEXHASP-HZPDHXFCSA-N 0 3 385.530 0.355 20 0 GCADHN Cc1nnc([C@H](C)NC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)[nH]1 ZINC000508996396 1199853635 /nfs/dbraw/zinc/85/36/35/1199853635.db2.gz NHYVJSNJZAXHMF-ZDUSSCGKSA-N 0 3 385.472 0.676 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC(=O)CC1)C2)C1CCC1 ZINC001004448906 1199883582 /nfs/dbraw/zinc/88/35/82/1199883582.db2.gz XQXWCSFBGCUZRE-SVGFKBNWSA-N 0 3 376.501 0.635 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000509051531 1199887101 /nfs/dbraw/zinc/88/71/01/1199887101.db2.gz BHDXXHGGWALROM-KRWDZBQOSA-N 0 3 396.532 0.274 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000265896913 1199889653 /nfs/dbraw/zinc/88/96/53/1199889653.db2.gz HASGQZRNPDPLLU-HNNXBMFYSA-N 0 3 391.497 0.654 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000673631589 1199896022 /nfs/dbraw/zinc/89/60/22/1199896022.db2.gz JRYCPZFTMLJIGQ-UHFFFAOYSA-N 0 3 387.528 0.431 20 0 GCADHN O=C(NC[C@@H](O)[C@@H]1CCOC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429039374 1199896110 /nfs/dbraw/zinc/89/61/10/1199896110.db2.gz HVJCZAFVCKBEGG-GUDVDZBRSA-N 0 3 377.485 0.974 20 0 GCADHN COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(N(C)C)CCC2)nn1C ZINC001004625380 1199906867 /nfs/dbraw/zinc/90/68/67/1199906867.db2.gz IMAZPSCZHRDTTQ-NFAWXSAZSA-N 0 3 375.473 0.775 20 0 GCADHN COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C(C)C)N(C)C)nn1C ZINC001004620408 1199907092 /nfs/dbraw/zinc/90/70/92/1199907092.db2.gz BGBUUMINOPWSIP-LNCBFAARSA-N 0 3 377.489 0.877 20 0 GCADHN COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CC[C@H](C)C2)nn1C ZINC001004630640 1199907713 /nfs/dbraw/zinc/90/77/13/1199907713.db2.gz XBSIZCGFKPCAFH-NHIYQJMISA-N 0 3 375.473 0.632 20 0 GCADHN COc1nccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C(C)C)N(C)C)n1 ZINC001004652969 1199910458 /nfs/dbraw/zinc/91/04/58/1199910458.db2.gz XVWFFJMLNCOPBD-OJLVUWQFSA-N 0 3 375.473 0.933 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncc3cccnc31)C2 ZINC001004678257 1199912182 /nfs/dbraw/zinc/91/21/82/1199912182.db2.gz FXENFGKGGIYNSF-WCXIOVBPSA-N 0 3 382.468 0.774 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000673658974 1199923371 /nfs/dbraw/zinc/92/33/71/1199923371.db2.gz FOJCBLDKIIBCHI-UHFFFAOYSA-N 0 3 396.513 0.269 20 0 GCADHN O=C([C@H]1CCC(=O)NC1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000131374866 1199926312 /nfs/dbraw/zinc/92/63/12/1199926312.db2.gz VDIQUJCYWWRDIG-MSOLQXFVSA-N 0 3 385.512 0.968 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)CC1=O ZINC000673673436 1199927298 /nfs/dbraw/zinc/92/72/98/1199927298.db2.gz QOLSPYFQEKWAJV-INIZCTEOSA-N 0 3 386.496 0.442 20 0 GCADHN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C(C)C)N(C)C ZINC001004756140 1199931119 /nfs/dbraw/zinc/93/11/19/1199931119.db2.gz 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COC1CN(C(=O)C2CC3OC2C2CC23)CC1NC(=O)Cc1cccnc1C ZINC000946764632 1200028409 /nfs/dbraw/zinc/02/84/09/1200028409.db2.gz AYRVUBXMTCEBII-JHSWVUKBSA-N 0 3 385.464 0.698 20 0 GCADHN CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCC(N3CCOCC3)CC2)CC1 ZINC000625552029 1200030829 /nfs/dbraw/zinc/03/08/29/1200030829.db2.gz IQWMFAOGTRBYPS-UHFFFAOYSA-N 0 3 394.560 0.888 20 0 GCADHN O=C(CN1CCC(N2CCOCC2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000625555438 1200032038 /nfs/dbraw/zinc/03/20/38/1200032038.db2.gz WVLMYPZZEWRYCP-UHFFFAOYSA-N 0 3 390.484 0.361 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@H](O)CN1CCC(N2CCOCC2)CC1 ZINC000625554548 1200032084 /nfs/dbraw/zinc/03/20/84/1200032084.db2.gz XPPZAKHDSPGRNR-GOSISDBHSA-N 0 3 388.468 0.661 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC000625560634 1200038246 /nfs/dbraw/zinc/03/82/46/1200038246.db2.gz FILWUOXWYBOVIX-CVEARBPZSA-N 0 3 376.505 0.163 20 0 GCADHN O=C(NC[C@H]1CCN1C1CCCC1)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000625572968 1200052897 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COC1CCN(CCNC(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC1 ZINC000674326670 1200221019 /nfs/dbraw/zinc/22/10/19/1200221019.db2.gz KEDRUDVSGXEDSC-UHFFFAOYSA-N 0 3 390.532 0.743 20 0 GCADHN COC1CCN(CCNC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000674325342 1200221154 /nfs/dbraw/zinc/22/11/54/1200221154.db2.gz MOLWGOHOYLXWAF-UHFFFAOYSA-N 0 3 388.468 0.979 20 0 GCADHN COC1CCN(CCNC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000674327546 1200222401 /nfs/dbraw/zinc/22/24/01/1200222401.db2.gz VVAUMIDNTNEVPF-UHFFFAOYSA-N 0 3 398.529 0.683 20 0 GCADHN COC1CCN(CCNC(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000674329209 1200222453 /nfs/dbraw/zinc/22/24/53/1200222453.db2.gz TULSEDUYQINACR-UHFFFAOYSA-N 0 3 390.532 0.743 20 0 GCADHN COC1CCN(CCNC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000674328412 1200222464 /nfs/dbraw/zinc/22/24/64/1200222464.db2.gz MGBLEAUYUIWBGZ-UHFFFAOYSA-N 0 3 398.529 0.847 20 0 GCADHN COC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000674477409 1200251216 /nfs/dbraw/zinc/25/12/16/1200251216.db2.gz DONSDNYBPOEZOE-AWEZNQCLSA-N 0 3 390.440 0.732 20 0 GCADHN CN1CCC2(CCN(C(=O)C(=O)N3CCC[C@@H]3CN3CCCCC3)CC2)C1=O ZINC001117846696 1200279380 /nfs/dbraw/zinc/27/93/80/1200279380.db2.gz JHFYKQHOLQRJSF-QGZVFWFLSA-N 0 3 390.528 0.934 20 0 GCADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CCN2C1=O ZINC000674594281 1200282732 /nfs/dbraw/zinc/28/27/32/1200282732.db2.gz HTDSHMCQMNWSOT-IRXDYDNUSA-N 0 3 385.468 0.789 20 0 GCADHN CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001033904025 1200292910 /nfs/dbraw/zinc/29/29/10/1200292910.db2.gz NTSLWRPVTICTPD-NTCWUJLTSA-N 0 3 390.484 0.275 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CN1C1CC1 ZINC000674701219 1200307347 /nfs/dbraw/zinc/30/73/47/1200307347.db2.gz JDUXKBQFDBLVMO-HUUCEWRRSA-N 0 3 377.489 0.088 20 0 GCADHN COC1CCN(CCNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000674707950 1200310387 /nfs/dbraw/zinc/31/03/87/1200310387.db2.gz RHUSAJKOLXQVAW-UHFFFAOYSA-N 0 3 388.534 0.353 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000674731628 1200312240 /nfs/dbraw/zinc/31/22/40/1200312240.db2.gz GJXZENGYFINOJB-UXLLHSPISA-N 0 3 382.505 0.119 20 0 GCADHN Cn1ncc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@@H]3CCCN3C)cnc21 ZINC001005519273 1200331833 /nfs/dbraw/zinc/33/18/33/1200331833.db2.gz HIWBNFUOIRBNLC-NCOADZHNSA-N 0 3 382.468 0.924 20 0 GCADHN O=C(N[C@@H]1CCCCN(CCCN2C(=O)CNC2=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001034325835 1200348229 /nfs/dbraw/zinc/34/82/29/1200348229.db2.gz VQTRLKMIHJJDPC-NTCWUJLTSA-N 0 3 390.484 0.322 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000173549545 1200349312 /nfs/dbraw/zinc/34/93/12/1200349312.db2.gz HQWLLCGYORTKIF-AWEZNQCLSA-N 0 3 387.550 0.750 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000675134395 1200354298 /nfs/dbraw/zinc/35/42/98/1200354298.db2.gz FSDZTAZWUDBISN-KFKAGJAMSA-N 0 3 386.496 0.893 20 0 GCADHN O=C(N[C@H]1CCCCN(CCCN2C(=O)CNC2=O)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001034415656 1200356618 /nfs/dbraw/zinc/35/66/18/1200356618.db2.gz XCSKOABDSDGRHM-JJXSEGSLSA-N 0 3 378.473 0.467 20 0 GCADHN CC(C)(C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCC1 ZINC001061750146 1200357048 /nfs/dbraw/zinc/35/70/48/1200357048.db2.gz QZTSIKZAMKXDQK-VQHPVUNQSA-N 0 3 379.501 0.772 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@H](CO)OC[C@H]3C)cc2)CC1 ZINC000766099972 1200366006 /nfs/dbraw/zinc/36/60/06/1200366006.db2.gz WPXRAPLKENMTHU-VQIMIIECSA-N 0 3 376.501 0.849 20 0 GCADHN CN1CCN(CCCCNC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000041361551 1200384116 /nfs/dbraw/zinc/38/41/16/1200384116.db2.gz BKSBWTCRSDTBIO-UHFFFAOYSA-N 0 3 387.484 0.224 20 0 GCADHN CC[C@@]1(C)CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000174196717 1200386111 /nfs/dbraw/zinc/38/61/11/1200386111.db2.gz MPNPISNBQGXSKG-FQEVSTJZSA-N 0 3 380.533 0.502 20 0 GCADHN COCCCCCN1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128993632 1200394589 /nfs/dbraw/zinc/39/45/89/1200394589.db2.gz IOQUDMIUCCOASZ-VQHPVUNQSA-N 0 3 392.504 0.351 20 0 GCADHN Cc1nc2ccnn2cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001005733951 1200422290 /nfs/dbraw/zinc/42/22/90/1200422290.db2.gz QOOMAKJPZPWSHR-OIISXLGYSA-N 0 3 382.468 0.995 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000675538098 1200427202 /nfs/dbraw/zinc/42/72/02/1200427202.db2.gz CVHWUQHNUSEINZ-INIZCTEOSA-N 0 3 381.498 0.920 20 0 GCADHN NC(=O)c1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)nn1-c1ccccc1 ZINC000675541644 1200428358 /nfs/dbraw/zinc/42/83/58/1200428358.db2.gz YMURJUOAIDHAAW-MRXNPFEDSA-N 0 3 383.452 0.954 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CCSC1 ZINC000675598483 1200442352 /nfs/dbraw/zinc/44/23/52/1200442352.db2.gz LWIGOJPOTOZQOF-PBHICJAKSA-N 0 3 381.502 0.554 20 0 GCADHN CCc1c(C(=O)NCCN2CCCC[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000130772220 1200453226 /nfs/dbraw/zinc/45/32/26/1200453226.db2.gz XJOPFXZGUNYGGD-CYBMUJFWSA-N 0 3 387.484 0.799 20 0 GCADHN CN(C)S(=O)(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCN3C3CCCCC3)[C@@H]2C1 ZINC001273141839 1200457387 /nfs/dbraw/zinc/45/73/87/1200457387.db2.gz UNXKSGMMDOJTHN-USXIJHARSA-N 0 3 384.546 0.733 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000675840209 1200463300 /nfs/dbraw/zinc/46/33/00/1200463300.db2.gz PYIVYTPTFRJKRZ-HNNXBMFYSA-N 0 3 377.420 0.695 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(-c2ccncc2)n1 ZINC000675916262 1200467712 /nfs/dbraw/zinc/46/77/12/1200467712.db2.gz FSXYYTCEKBYBSZ-QGZVFWFLSA-N 0 3 382.468 0.861 20 0 GCADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129118041 1200469521 /nfs/dbraw/zinc/46/95/21/1200469521.db2.gz CHRGVDWXRACLGR-KONPQCLYSA-N 0 3 387.488 0.583 20 0 GCADHN CC[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CC2 ZINC001035213372 1200469744 /nfs/dbraw/zinc/46/97/44/1200469744.db2.gz TWAQASFCIIFOKW-LUKYLMHMSA-N 0 3 379.501 0.616 20 0 GCADHN CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN1C1CCCCC1 ZINC001273142264 1200504838 /nfs/dbraw/zinc/50/48/38/1200504838.db2.gz VWLPUCUAQUEMCF-IXDOHACOSA-N 0 3 384.546 0.875 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000676272971 1200524944 /nfs/dbraw/zinc/52/49/44/1200524944.db2.gz RAUKATMIINFZAK-CQSZACIVSA-N 0 3 375.473 0.623 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000676279932 1200529350 /nfs/dbraw/zinc/52/93/50/1200529350.db2.gz RAJXBJOXSIUERC-DYVFJYSZSA-N 0 3 378.473 0.531 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000676287791 1200536647 /nfs/dbraw/zinc/53/66/47/1200536647.db2.gz BGCWHZJCNYBLSQ-SFHVURJKSA-N 0 3 375.517 0.575 20 0 GCADHN CNc1nc(N[C@H](C)[C@@H]2CN(C)CCO2)nc(N[C@@H](C)[C@H]2CN(C)CCO2)n1 ZINC000676314476 1200544332 /nfs/dbraw/zinc/54/43/32/1200544332.db2.gz AWLFTQXMIRCJKB-PYHGIMPFSA-N 0 3 394.524 0.175 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676344857 1200545261 /nfs/dbraw/zinc/54/52/61/1200545261.db2.gz UHFARAZVNDGRGK-SJORKVTESA-N 0 3 387.546 0.950 20 0 GCADHN CNC(=O)COc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1OC ZINC000676345702 1200545897 /nfs/dbraw/zinc/54/58/97/1200545897.db2.gz XUIWNEYLRMCYDB-INIZCTEOSA-N 0 3 391.468 0.803 20 0 GCADHN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676344893 1200546075 /nfs/dbraw/zinc/54/60/75/1200546075.db2.gz KDOIPQYYZOYPBW-AWEZNQCLSA-N 0 3 385.486 0.821 20 0 GCADHN CN(CCC1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)[C@H]1CCNC1=O ZINC001036603346 1200591111 /nfs/dbraw/zinc/59/11/11/1200591111.db2.gz HMQKMFZGHWYDQC-XLAORIBOSA-N 0 3 379.501 0.487 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1)[C@@H]1CCCN(C)C1 ZINC000625798295 1200699338 /nfs/dbraw/zinc/69/93/38/1200699338.db2.gz IVYWVOHEAQOJNZ-ZACQAIPSSA-N 0 3 388.468 0.824 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C1 ZINC000507207597 1200713300 /nfs/dbraw/zinc/71/33/00/1200713300.db2.gz FRVVRTLHWCWQDR-INIZCTEOSA-N 0 3 386.456 0.679 20 0 GCADHN COC(=O)CCc1nnc(NC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)s1 ZINC000565246065 1200784564 /nfs/dbraw/zinc/78/45/64/1200784564.db2.gz LWUNDEYHHKXZED-LBPRGKRZSA-N 0 3 397.501 0.819 20 0 GCADHN O=C(NCCNc1cnccn1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000428556139 1200802731 /nfs/dbraw/zinc/80/27/31/1200802731.db2.gz DVCJZQVGDMQMJZ-SFHVURJKSA-N 0 3 384.484 1.479 20 0 GCADHN Cc1cc(NC(=O)CCNCCN(C)S(=O)(=O)c2ccc(F)cc2)no1 ZINC000568859144 1200834600 /nfs/dbraw/zinc/83/46/00/1200834600.db2.gz DOTFBRWHILXCOZ-UHFFFAOYSA-N 0 3 384.433 1.361 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(C(=O)NCCCc3nc[nH]n3)CC2)CC1 ZINC000923143361 1200836003 /nfs/dbraw/zinc/83/60/03/1200836003.db2.gz ONVOFLDCZCHXFC-UHFFFAOYSA-N 0 3 391.520 0.713 20 0 GCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1ccc(OC)nn1 ZINC000556548526 1200899545 /nfs/dbraw/zinc/89/95/45/1200899545.db2.gz PIZBCUYAGVFOPU-INIZCTEOSA-N 0 3 398.467 1.332 20 0 GCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1nc(C)n(C)n1 ZINC000521648666 1200900056 /nfs/dbraw/zinc/90/00/56/1200900056.db2.gz KLNUDZDOWSQJCB-INIZCTEOSA-N 0 3 385.472 0.970 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC000923264164 1200913820 /nfs/dbraw/zinc/91/38/20/1200913820.db2.gz WEVDFBMJBCRFLD-GVDBMIGSSA-N 0 3 390.459 0.424 20 0 GCADHN COC(=O)[C@H]1CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)[C@H]1C(C)C ZINC000429373421 1200914971 /nfs/dbraw/zinc/91/49/71/1200914971.db2.gz RPHYMZITQUPSJW-AOIWGVFYSA-N 0 3 383.533 0.979 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000571010913 1200927163 /nfs/dbraw/zinc/92/71/63/1200927163.db2.gz MDXQSPGCDGRNIN-UHFFFAOYSA-N 0 3 386.456 0.919 20 0 GCADHN C[C@@]1(CO)CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000546810464 1200955652 /nfs/dbraw/zinc/95/56/52/1200955652.db2.gz PXKVRXJRHGTRAZ-SFHVURJKSA-N 0 3 399.488 0.505 20 0 GCADHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccco1 ZINC000554245164 1200984866 /nfs/dbraw/zinc/98/48/66/1200984866.db2.gz NSGLMBYAHHFJPM-OLZOCXBDSA-N 0 3 377.449 1.210 20 0 GCADHN COc1ccccc1-c1nnc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000595232862 1201014873 /nfs/dbraw/zinc/01/48/73/1201014873.db2.gz JQOLDUOSJUOWGQ-PWSUYJOCSA-N 0 3 388.453 0.989 20 0 GCADHN COc1ccc([C@H](CCn2cncn2)NCCNS(=O)(=O)NC(C)C)cc1 ZINC000429429286 1201034462 /nfs/dbraw/zinc/03/44/62/1201034462.db2.gz KGLYCGMTTYKRNW-KRWDZBQOSA-N 0 3 396.517 0.840 20 0 GCADHN Cc1onc(NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)c1C ZINC000550632340 1201057513 /nfs/dbraw/zinc/05/75/13/1201057513.db2.gz GPHSCPQJCAEKQW-UHFFFAOYSA-N 0 3 399.495 1.554 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)c2nc(N)nc(N3CCOCC3)n2)c2ccccc2O1 ZINC000651508604 1201079010 /nfs/dbraw/zinc/07/90/10/1201079010.db2.gz XWADTZIENQIPRC-ZDUSSCGKSA-N 0 3 399.455 0.260 20 0 GCADHN CN(C)c1nc(N)nc(COc2cccc(NC(=O)C[C@H]3CNCCO3)c2)n1 ZINC000430841493 1201092412 /nfs/dbraw/zinc/09/24/12/1201092412.db2.gz WQDGOSOULBGOSC-AWEZNQCLSA-N 0 3 387.444 0.416 20 0 GCADHN CC(=O)N1CCN(C(=O)CN2C[C@H](C[C@@H]3COCCN3)c3ccccc32)CC1 ZINC000923540601 1201093487 /nfs/dbraw/zinc/09/34/87/1201093487.db2.gz BLRLHAYAWSBCQA-ZWKOTPCHSA-N 0 3 386.496 0.659 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000479694165 1201161485 /nfs/dbraw/zinc/16/14/85/1201161485.db2.gz PSDWQIHGJBHUQP-CQSZACIVSA-N 0 3 375.477 0.435 20 0 GCADHN Nc1nsc(N2CCN(C(=O)Nc3ccc4c(c3)OCCNC4)CC2)n1 ZINC000528718972 1201171378 /nfs/dbraw/zinc/17/13/78/1201171378.db2.gz HHIXGRVPRLBRIN-UHFFFAOYSA-N 0 3 375.458 0.956 20 0 GCADHN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923591767 1201172667 /nfs/dbraw/zinc/17/26/67/1201172667.db2.gz JQDKEINNWBXBSW-UHFFFAOYSA-N 0 3 384.477 0.304 20 0 GCADHN Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000563773238 1201178138 /nfs/dbraw/zinc/17/81/38/1201178138.db2.gz SGEPBJURBAWREE-MRXNPFEDSA-N 0 3 397.483 0.720 20 0 GCADHN O=C(Cn1cc(-c2ccccc2)nn1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000136231935 1201186457 /nfs/dbraw/zinc/18/64/57/1201186457.db2.gz DGCJTEYOAZRICH-UHFFFAOYSA-N 0 3 382.468 0.712 20 0 GCADHN CCC1(N2CCOCC2)CCN([C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000626087580 1201191460 /nfs/dbraw/zinc/19/14/60/1201191460.db2.gz SOVPNEDHCCFCLK-HOTGVXAUSA-N 0 3 387.546 0.255 20 0 GCADHN CNC(=O)c1ccn([C@@H]2CCCN(C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC000486564361 1201192812 /nfs/dbraw/zinc/19/28/12/1201192812.db2.gz UBUSDHLMPMGLPM-YYIAUSFCSA-N 0 3 379.505 0.350 20 0 GCADHN COC(=O)C(C)(C)[C@@H]1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000611319804 1201230272 /nfs/dbraw/zinc/23/02/72/1201230272.db2.gz MDMCXICFIOUEKL-CYBMUJFWSA-N 0 3 391.472 0.345 20 0 GCADHN CNC(=O)Cn1cc(NC(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cn1 ZINC000611327203 1201231981 /nfs/dbraw/zinc/23/19/81/1201231981.db2.gz OTHGSEKYNGSQMM-MRXNPFEDSA-N 0 3 377.493 0.261 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3cnn(C)c3C(F)F)C2)CC1 ZINC000611367489 1201232851 /nfs/dbraw/zinc/23/28/51/1201232851.db2.gz MAAAVJCFLQBPBZ-ZDUSSCGKSA-N 0 3 398.458 0.923 20 0 GCADHN COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000611402287 1201235930 /nfs/dbraw/zinc/23/59/30/1201235930.db2.gz FHUQUTVVPNSPRV-LBPRGKRZSA-N 0 3 379.461 0.048 20 0 GCADHN COC(=O)c1csc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1C ZINC000611457554 1201239160 /nfs/dbraw/zinc/23/91/60/1201239160.db2.gz CGJWDDNQDGGZNV-LBPRGKRZSA-N 0 3 396.513 0.781 20 0 GCADHN COC[C@@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)OC ZINC000611507625 1201242040 /nfs/dbraw/zinc/24/20/40/1201242040.db2.gz SELGDBVJYKOTJW-OAHLLOKOSA-N 0 3 387.440 0.481 20 0 GCADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3ccncc3)C2)CC1 ZINC000611546483 1201245247 /nfs/dbraw/zinc/24/52/47/1201245247.db2.gz HAPSVRHBSHMJSX-QGZVFWFLSA-N 0 3 397.483 0.444 20 0 GCADHN CC(C)N1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001079143917 1201246902 /nfs/dbraw/zinc/24/69/02/1201246902.db2.gz VWCFCWQEKLZOSN-ZJPYXAASSA-N 0 3 375.469 0.502 20 0 GCADHN C[C@@H]1CN(CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001079951514 1201261225 /nfs/dbraw/zinc/26/12/25/1201261225.db2.gz QXKVPBXDYLVGCC-KLHDSHLOSA-N 0 3 393.536 0.126 20 0 GCADHN COCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1 ZINC001080436375 1201271283 /nfs/dbraw/zinc/27/12/83/1201271283.db2.gz XCVDANXNASPTHM-NKGKWGDASA-N 0 3 375.469 0.802 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001080470493 1201275100 /nfs/dbraw/zinc/27/51/00/1201275100.db2.gz YJJGSCJCMIVCGG-TUVASFSCSA-N 0 3 380.489 0.568 20 0 GCADHN CN(C)[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C1CC1 ZINC001080926109 1201287187 /nfs/dbraw/zinc/28/71/87/1201287187.db2.gz BDEGCVUPCDPMLX-HTPGKPQGSA-N 0 3 391.512 0.220 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)N(C)C ZINC001080926440 1201287297 /nfs/dbraw/zinc/28/72/97/1201287297.db2.gz PUJLDEAQBSYWPG-HTPGKPQGSA-N 0 3 393.528 0.466 20 0 GCADHN CO[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694198 1201297458 /nfs/dbraw/zinc/29/74/58/1201297458.db2.gz PPDIVUIFLCRAHE-BASLNEPJSA-N 0 3 389.500 0.715 20 0 GCADHN CO[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694198 1201297465 /nfs/dbraw/zinc/29/74/65/1201297465.db2.gz PPDIVUIFLCRAHE-BASLNEPJSA-N 0 3 389.500 0.715 20 0 GCADHN CO[C@@H]1CN(Cc2cccc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001081847151 1201306823 /nfs/dbraw/zinc/30/68/23/1201306823.db2.gz VUMPHDCJFXUVCE-HUYLIWGRSA-N 0 3 390.528 0.787 20 0 GCADHN CC(C)N(C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001082124734 1201315148 /nfs/dbraw/zinc/31/51/48/1201315148.db2.gz SWOVSUWSLJQKQV-LSTDLKDCSA-N 0 3 381.517 0.875 20 0 GCADHN CO[C@@H]1CN(CC2CCC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001082131497 1201315618 /nfs/dbraw/zinc/31/56/18/1201315618.db2.gz IEUIZZHNQYBVKN-XMTFNYHQSA-N 0 3 379.501 0.772 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1NCc1cc(=O)n2nccc2[nH]1 ZINC001082651274 1201342643 /nfs/dbraw/zinc/34/26/43/1201342643.db2.gz UGCOYMLJQAUWCU-AIIJBHBYSA-N 0 3 385.468 0.774 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@H]1NCc1ccnn1C ZINC001082738231 1201345178 /nfs/dbraw/zinc/34/51/78/1201345178.db2.gz HIWUZZBPYAYCPA-DDBAPUKQSA-N 0 3 389.500 0.527 20 0 GCADHN CCOc1cccc(CN[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)n1 ZINC001082739057 1201345568 /nfs/dbraw/zinc/34/55/68/1201345568.db2.gz VWXCQOJCALMLDF-DMRZNYOFSA-N 0 3 376.457 0.450 20 0 GCADHN COc1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2C)ccn1 ZINC001082739369 1201346119 /nfs/dbraw/zinc/34/61/19/1201346119.db2.gz PSRLPUYMRIWASO-MXASKKJJSA-N 0 3 390.484 0.663 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCc1cn(C)nc1C(F)F ZINC001082738980 1201346300 /nfs/dbraw/zinc/34/63/00/1201346300.db2.gz QXZKNPJVJRBGRA-FOUMNBMASA-N 0 3 385.415 0.327 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)N1CCc2ccccc2C1 ZINC001082745207 1201346934 /nfs/dbraw/zinc/34/69/34/1201346934.db2.gz KPJQSUUGUFTZFO-NKGKWGDASA-N 0 3 384.480 0.129 20 0 GCADHN CNC(=O)C1CCN(C(=O)CN[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]2C)CC1 ZINC001082797782 1201348996 /nfs/dbraw/zinc/34/89/96/1201348996.db2.gz OTZREUROWJMSAS-BVPBIZIASA-N 0 3 390.528 0.454 20 0 GCADHN O=C(NCc1ccc(N2CCOCC2)nc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000727471842 1201356636 /nfs/dbraw/zinc/35/66/36/1201356636.db2.gz OMBRJJIILSLKRD-IRXDYDNUSA-N 0 3 375.473 0.581 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN(C)CCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000533597106 1201369478 /nfs/dbraw/zinc/36/94/78/1201369478.db2.gz VQISGFWGZIHAOC-OAGGEKHMSA-N 0 3 375.469 0.685 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCc2cccc(C)n2)CC1 ZINC000287420077 1201401053 /nfs/dbraw/zinc/40/10/53/1201401053.db2.gz SVSLYMVIAGKQOB-UHFFFAOYSA-N 0 3 389.500 0.061 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2csc(-c3cnccn3)n2)CC1 ZINC000171339747 1201405467 /nfs/dbraw/zinc/40/54/67/1201405467.db2.gz ZRQCKODEWXROOL-UHFFFAOYSA-N 0 3 386.481 0.980 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cn(Cc3cccs3)nn2)CC1 ZINC000173058464 1201406802 /nfs/dbraw/zinc/40/68/02/1201406802.db2.gz RLLPMISZVGAQBB-UHFFFAOYSA-N 0 3 388.497 0.768 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C1 ZINC000729984087 1201422386 /nfs/dbraw/zinc/42/23/86/1201422386.db2.gz WBCWKVVMGGNHBJ-JXFKEZNVSA-N 0 3 388.468 0.681 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000729979700 1201422579 /nfs/dbraw/zinc/42/25/79/1201422579.db2.gz HAOLTCWTUPAOLY-ZDUSSCGKSA-N 0 3 381.454 0.058 20 0 GCADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)CC(=O)C(F)(F)F)C2 ZINC001273227289 1201438947 /nfs/dbraw/zinc/43/89/47/1201438947.db2.gz JOKGXKAMLYQIHF-OAHLLOKOSA-N 0 3 379.379 0.147 20 0 GCADHN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000730921583 1201467901 /nfs/dbraw/zinc/46/79/01/1201467901.db2.gz XBOOMSQERRBZBP-GOSISDBHSA-N 0 3 399.495 0.648 20 0 GCADHN CCNS(=O)(=O)CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000731751272 1201501141 /nfs/dbraw/zinc/50/11/41/1201501141.db2.gz ILULWVZHHPNNOT-UHFFFAOYSA-N 0 3 383.518 0.889 20 0 GCADHN Cc1nc(C)n(CCN2CC[C@@H]3CCN(C(=O)[C@H]4OCCO[C@H]4C)C[C@@H]32)n1 ZINC001084962037 1201511152 /nfs/dbraw/zinc/51/11/52/1201511152.db2.gz NPPGVIOFIFHCIF-NBMRYCAZSA-N 0 3 377.489 0.622 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNC(=O)OCC(F)(F)F ZINC000732068193 1201516916 /nfs/dbraw/zinc/51/69/16/1201516916.db2.gz MZBRLCDIAJTYBE-NSHDSACASA-N 0 3 382.383 0.334 20 0 GCADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)CN(C)S(C)(=O)=O)CC2)cc1 ZINC001273247760 1201518547 /nfs/dbraw/zinc/51/85/47/1201518547.db2.gz WCTWYWNEIXDDPJ-UHFFFAOYSA-N 0 3 396.513 0.617 20 0 GCADHN CN(c1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1)S(C)(=O)=O ZINC000732246742 1201528307 /nfs/dbraw/zinc/52/83/07/1201528307.db2.gz YPSZJLQJLUOUCX-SJORKVTESA-N 0 3 396.513 0.745 20 0 GCADHN O=C([C@@H]1CCO[C@H]1C1CC1)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084994314 1201531459 /nfs/dbraw/zinc/53/14/59/1201531459.db2.gz LCZDSTXIFJCGMR-PYQAKABTSA-N 0 3 389.496 0.873 20 0 GCADHN Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001084995545 1201532157 /nfs/dbraw/zinc/53/21/57/1201532157.db2.gz KXBNIKDQGYGWAE-KONPQCLYSA-N 0 3 386.500 0.472 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCCC[C@@H]1C1OCCO1 ZINC000732460060 1201544562 /nfs/dbraw/zinc/54/45/62/1201544562.db2.gz XNAICAUFGORDTR-HZPDHXFCSA-N 0 3 382.505 0.866 20 0 GCADHN CC(C)(C)OC(=O)NCCOCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000732552411 1201548461 /nfs/dbraw/zinc/54/84/61/1201548461.db2.gz ASHDEAXEMLOFOQ-HNNXBMFYSA-N 0 3 398.504 0.468 20 0 GCADHN O=C([C@@H]1C[C@H]1c1ccco1)N1CC[C@H]2CCN(CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001085039542 1201557201 /nfs/dbraw/zinc/55/72/01/1201557201.db2.gz AUWKSCSTKQHSGU-FPCVCCKLSA-N 0 3 386.452 0.858 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000733168407 1201579083 /nfs/dbraw/zinc/57/90/83/1201579083.db2.gz GJPCYFQDCGVMHZ-CYBMUJFWSA-N 0 3 385.461 0.671 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)cc2)CC1 ZINC000733674219 1201602301 /nfs/dbraw/zinc/60/23/01/1201602301.db2.gz PUPQEBICJRHNGS-CQSZACIVSA-N 0 3 396.513 0.316 20 0 GCADHN CCN1CCN(CCC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000282615991 1201615521 /nfs/dbraw/zinc/61/55/21/1201615521.db2.gz ZJRYQPQPELOXPJ-GOSISDBHSA-N 0 3 388.512 0.810 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001065291494 1201624528 /nfs/dbraw/zinc/62/45/28/1201624528.db2.gz GPTFRZMXTVRDGS-VVLHAWIVSA-N 0 3 381.517 0.875 20 0 GCADHN CCN(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCO1 ZINC001065401771 1201627204 /nfs/dbraw/zinc/62/72/04/1201627204.db2.gz SWWULQUHSZUSCO-NEXGVSGLSA-N 0 3 379.501 0.484 20 0 GCADHN C[C@@H](CNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F)CN1CCN(C)CC1 ZINC000733976180 1201635687 /nfs/dbraw/zinc/63/56/87/1201635687.db2.gz IXBXZYFBGAICRP-BBRMVZONSA-N 0 3 391.438 0.560 20 0 GCADHN CCc1nnc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CN(C)C[C@@H](C)O2)n1C ZINC001085242334 1201648413 /nfs/dbraw/zinc/64/84/13/1201648413.db2.gz NNKXFQBMOBMCGE-KLHDSHLOSA-N 0 3 378.521 0.614 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)Cc1nnc2ccccn21 ZINC000734271196 1201648954 /nfs/dbraw/zinc/64/89/54/1201648954.db2.gz GAVKLBROCDCRLS-HNNXBMFYSA-N 0 3 387.488 0.813 20 0 GCADHN Cc1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)cn1 ZINC001085330377 1201668985 /nfs/dbraw/zinc/66/89/85/1201668985.db2.gz DEIWJUMZQUVAIG-TVFCKZIOSA-N 0 3 389.500 0.938 20 0 GCADHN Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)n[nH]1 ZINC001085330612 1201669195 /nfs/dbraw/zinc/66/91/95/1201669195.db2.gz RUGKWNVAWSTTFC-TUVASFSCSA-N 0 3 378.477 0.266 20 0 GCADHN COc1cccc(CN2CCC(NC(=O)c3cn(C)c(=O)n(C)c3=O)CC2)c1 ZINC000735037546 1201671256 /nfs/dbraw/zinc/67/12/56/1201671256.db2.gz QIPDUEDNKXKKFP-UHFFFAOYSA-N 0 3 386.452 0.487 20 0 GCADHN CN(C(=O)c1cn(C)c(=O)n(C)c1=O)C1CCN(CCc2ccccn2)CC1 ZINC000735040001 1201673447 /nfs/dbraw/zinc/67/34/47/1201673447.db2.gz NDELZCIUYPWIQZ-UHFFFAOYSA-N 0 3 385.468 0.258 20 0 GCADHN CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)CNS(C)(=O)=O ZINC001273322480 1201685165 /nfs/dbraw/zinc/68/51/65/1201685165.db2.gz MUXPHISRNVSRNO-HRCADAONSA-N 0 3 375.535 0.664 20 0 GCADHN CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)CNS(C)(=O)=O ZINC001273322481 1201685555 /nfs/dbraw/zinc/68/55/55/1201685555.db2.gz MUXPHISRNVSRNO-OAGGEKHMSA-N 0 3 375.535 0.664 20 0 GCADHN CS(=O)(=O)NCC(=O)N1CCC2(CCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001273323352 1201688626 /nfs/dbraw/zinc/68/86/26/1201688626.db2.gz UJGHYNSCEKDEFS-UHFFFAOYSA-N 0 3 382.486 0.151 20 0 GCADHN Cc1ncsc1CN1CC[C@@]2(C1)CCCN(C(=O)CNS(C)(=O)=O)C2 ZINC001273323731 1201690477 /nfs/dbraw/zinc/69/04/77/1201690477.db2.gz XBQXLUVJDBAQSP-MRXNPFEDSA-N 0 3 386.543 0.815 20 0 GCADHN Cc1ncsc1CN1CC[C@]2(C1)CCCN(C(=O)CNS(C)(=O)=O)C2 ZINC001273323729 1201690733 /nfs/dbraw/zinc/69/07/33/1201690733.db2.gz XBQXLUVJDBAQSP-INIZCTEOSA-N 0 3 386.543 0.815 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000735589968 1201692648 /nfs/dbraw/zinc/69/26/48/1201692648.db2.gz NCWUXHJCSMOBFY-IAGOWNOFSA-N 0 3 384.440 0.244 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000735586658 1201692925 /nfs/dbraw/zinc/69/29/25/1201692925.db2.gz XEJXGNXXFSDXBC-AWEZNQCLSA-N 0 3 398.485 0.408 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000735587498 1201693419 /nfs/dbraw/zinc/69/34/19/1201693419.db2.gz LTRPVQFBOWVEBV-UHFFFAOYSA-N 0 3 387.484 0.537 20 0 GCADHN COC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735590958 1201694328 /nfs/dbraw/zinc/69/43/28/1201694328.db2.gz VIZFJRDCNJAMFS-LSDHHAIUSA-N 0 3 376.413 0.783 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1NC(C)=O ZINC000735590505 1201694475 /nfs/dbraw/zinc/69/44/75/1201694475.db2.gz RAPDRENJSCIRII-HUUCEWRRSA-N 0 3 390.440 0.572 20 0 GCADHN NC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000735590754 1201694680 /nfs/dbraw/zinc/69/46/80/1201694680.db2.gz SPXKZLUXTYNAAG-RYUDHWBXSA-N 0 3 380.832 0.357 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000735591186 1201694715 /nfs/dbraw/zinc/69/47/15/1201694715.db2.gz XVDGQGPRRWPULT-YESZJQIVSA-N 0 3 384.480 0.981 20 0 GCADHN CC(=O)Nc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1F ZINC000735594089 1201695460 /nfs/dbraw/zinc/69/54/60/1201695460.db2.gz LQMWKMAKEXBFGA-KBPBESRZSA-N 0 3 378.404 0.702 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000737219171 1201724756 /nfs/dbraw/zinc/72/47/56/1201724756.db2.gz UBASOYDTLVNKQC-OLZOCXBDSA-N 0 3 379.388 0.530 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1 ZINC000738161652 1201734602 /nfs/dbraw/zinc/73/46/02/1201734602.db2.gz SGYMHURHMJCBAU-GOSISDBHSA-N 0 3 399.495 0.347 20 0 GCADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000739083911 1201739734 /nfs/dbraw/zinc/73/97/34/1201739734.db2.gz ATCCPKIXMKMGGT-SJORKVTESA-N 0 3 389.452 0.710 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC2(CCCC2)C1 ZINC000804260194 1201746066 /nfs/dbraw/zinc/74/60/66/1201746066.db2.gz DIPZDWPDGNTTHP-INIZCTEOSA-N 0 3 378.517 0.838 20 0 GCADHN CCN1C[C@@H](C)N(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C[C@H]1C ZINC000766255361 1201749733 /nfs/dbraw/zinc/74/97/33/1201749733.db2.gz WYJQRKMBMFMKCC-YYHKSVKZSA-N 0 3 379.505 0.933 20 0 GCADHN CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C(=O)C1 ZINC000741208962 1201765200 /nfs/dbraw/zinc/76/52/00/1201765200.db2.gz FGUVLCFTAMQPCB-HUUCEWRRSA-N 0 3 396.488 0.045 20 0 GCADHN C[C@H]1CN(C(=O)Cn2cc(NC(=S)NC3CCN(C)CC3)cn2)C[C@H](C)O1 ZINC000741504685 1201780230 /nfs/dbraw/zinc/78/02/30/1201780230.db2.gz BMTMBTYQOKYJFS-KBPBESRZSA-N 0 3 394.545 0.900 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=S)NC3CCN(C)CC3)cn2)C[C@H](C)O1 ZINC000741504690 1201780444 /nfs/dbraw/zinc/78/04/44/1201780444.db2.gz BMTMBTYQOKYJFS-OKILXGFUSA-N 0 3 394.545 0.900 20 0 GCADHN CS[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000804262095 1201782570 /nfs/dbraw/zinc/78/25/70/1201782570.db2.gz YITSQITUUOGJDB-KFWWJZLASA-N 0 3 384.546 0.446 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2nnc3ccccc3c2[O-])cn1 ZINC000741713467 1201783317 /nfs/dbraw/zinc/78/33/17/1201783317.db2.gz TZLAKLSFFLDIHN-UHFFFAOYSA-N 0 3 383.412 0.462 20 0 GCADHN CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001066384741 1201789990 /nfs/dbraw/zinc/78/99/90/1201789990.db2.gz KMOAPLXECKSWEL-MJQMVNBJSA-N 0 3 381.517 0.875 20 0 GCADHN Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1F ZINC000180546447 1201802338 /nfs/dbraw/zinc/80/23/38/1201802338.db2.gz VGOQZYVJMMAHLQ-UHFFFAOYSA-N 0 3 376.432 0.839 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCNC(=O)[C@@H]1c1cccs1)C2=O ZINC000743383536 1201817300 /nfs/dbraw/zinc/81/73/00/1201817300.db2.gz CZOONIRHJCFKJB-ZDUSSCGKSA-N 0 3 377.470 0.195 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C(=O)N1c1cnn(C)c1 ZINC000743594418 1201821116 /nfs/dbraw/zinc/82/11/16/1201821116.db2.gz URUMPJPLRKRLLE-CLWVCHIJSA-N 0 3 376.461 0.076 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000743935631 1201827817 /nfs/dbraw/zinc/82/78/17/1201827817.db2.gz VWOAHUXITQHYIE-UHFFFAOYSA-N 0 3 394.447 0.976 20 0 GCADHN CN1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000743942874 1201828301 /nfs/dbraw/zinc/82/83/01/1201828301.db2.gz MGTFONJPFUDKJJ-QGZVFWFLSA-N 0 3 383.496 0.850 20 0 GCADHN CN1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)CC1 ZINC000743942873 1201828339 /nfs/dbraw/zinc/82/83/39/1201828339.db2.gz MGTFONJPFUDKJJ-KRWDZBQOSA-N 0 3 383.496 0.850 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)COCCOC)cc2)CC1 ZINC000743940923 1201828661 /nfs/dbraw/zinc/82/86/61/1201828661.db2.gz OKSMBPSDTPNCBT-MRXNPFEDSA-N 0 3 392.500 0.935 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1 ZINC000743979892 1201831749 /nfs/dbraw/zinc/83/17/49/1201831749.db2.gz IRWIPNONQADOQE-ZDUSSCGKSA-N 0 3 390.440 0.128 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000743980855 1201832709 /nfs/dbraw/zinc/83/27/09/1201832709.db2.gz NBPIPFUZJAPWBW-CQSZACIVSA-N 0 3 394.497 0.766 20 0 GCADHN Cc1ccc([C@H](C)NCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000182313100 1201869251 /nfs/dbraw/zinc/86/92/51/1201869251.db2.gz HRCJXVFLMQHDRN-SFHVURJKSA-N 0 3 388.512 0.649 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000745470536 1201878585 /nfs/dbraw/zinc/87/85/85/1201878585.db2.gz UVYMSQILBQXSNM-MRXNPFEDSA-N 0 3 386.504 0.735 20 0 GCADHN CNC(=O)c1ccc(CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C2CC2)cc1 ZINC000746116705 1201900326 /nfs/dbraw/zinc/90/03/26/1201900326.db2.gz ZHYILQAATWCPAI-KRWDZBQOSA-N 0 3 386.496 0.947 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1=O ZINC000746237959 1201904703 /nfs/dbraw/zinc/90/47/03/1201904703.db2.gz VDMCDFZELSOUEY-CABCVRRESA-N 0 3 382.505 0.912 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000189422785 1201909427 /nfs/dbraw/zinc/90/94/27/1201909427.db2.gz BGWAEOUKEIXNAR-INIZCTEOSA-N 0 3 380.514 0.857 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000189762011 1201909881 /nfs/dbraw/zinc/90/98/81/1201909881.db2.gz LXUUOYQDIAUKQB-UHFFFAOYSA-N 0 3 384.484 0.907 20 0 GCADHN CCCC1N=NC(=S)N1CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000766344057 1201911361 /nfs/dbraw/zinc/91/13/61/1201911361.db2.gz OJWKEFWHLCBWOP-ZDUSSCGKSA-N 0 3 380.518 0.284 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000046948391 1201911796 /nfs/dbraw/zinc/91/17/96/1201911796.db2.gz JMUHRDPJLWYNCH-MRXNPFEDSA-N 0 3 394.541 0.982 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000193990259 1201912293 /nfs/dbraw/zinc/91/22/93/1201912293.db2.gz SBLLKRWMSHMHHD-UHFFFAOYSA-N 0 3 392.525 0.438 20 0 GCADHN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[nH]n1 ZINC000103122105 1201917161 /nfs/dbraw/zinc/91/71/61/1201917161.db2.gz QZBXADLOQKMLDB-UHFFFAOYSA-N 0 3 399.499 0.807 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000103122263 1201917662 /nfs/dbraw/zinc/91/76/62/1201917662.db2.gz RISXIVHQRNIXHQ-ZDUSSCGKSA-N 0 3 390.406 0.164 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)c1C ZINC000766367582 1201920538 /nfs/dbraw/zinc/92/05/38/1201920538.db2.gz SRJGCESLBUBQEJ-ZDUSSCGKSA-N 0 3 396.513 0.832 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C2=NN(CC(C)C)C(=O)CC2)CC1 ZINC000766386264 1201921118 /nfs/dbraw/zinc/92/11/18/1201921118.db2.gz QGPXPFFRYOQMDZ-UHFFFAOYSA-N 0 3 379.505 0.633 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CCOC[C@@H]3C(=O)OC)cc2)CC1 ZINC000752311481 1201924347 /nfs/dbraw/zinc/92/43/47/1201924347.db2.gz MHBOLOGJZSPCBV-GOSISDBHSA-N 0 3 390.484 0.641 20 0 GCADHN CNC(=O)CN1CCO[C@H]2CN([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001168851894 1201927274 /nfs/dbraw/zinc/92/72/74/1201927274.db2.gz BFFOEMIMQWVFBQ-FPCVCCKLSA-N 0 3 382.505 0.515 20 0 GCADHN CCOC(=O)CNC(=O)CN[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168898537 1201927921 /nfs/dbraw/zinc/92/79/21/1201927921.db2.gz AIUOFVBCBARMFE-OAHLLOKOSA-N 0 3 377.441 0.455 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168906190 1201928285 /nfs/dbraw/zinc/92/82/85/1201928285.db2.gz VZROBUBHRKOQFY-DZKIICNBSA-N 0 3 391.468 0.842 20 0 GCADHN CN(c1nccc(-c2cnc(N3CCCCC3)nc2)n1)S(=O)(=O)CCN ZINC001156236873 1201929110 /nfs/dbraw/zinc/92/91/10/1201929110.db2.gz UEQKNOGNMDOLIG-UHFFFAOYSA-N 0 3 377.474 0.649 20 0 GCADHN CNC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC001169079332 1201932238 /nfs/dbraw/zinc/93/22/38/1201932238.db2.gz NCYHHKQJDQFHLO-MRXNPFEDSA-N 0 3 375.473 0.855 20 0 GCADHN COC(=O)C[C@@H](NCC(=O)NCC(=O)Nc1cc(C)ccc1OC)C1CC1 ZINC001169122674 1201932402 /nfs/dbraw/zinc/93/24/02/1201932402.db2.gz CVETYBWQUPNYSL-CQSZACIVSA-N 0 3 377.441 0.990 20 0 GCADHN CCn1cnc(CN[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169189353 1201934522 /nfs/dbraw/zinc/93/45/22/1201934522.db2.gz FCQWSHCWHKLGIP-AWEZNQCLSA-N 0 3 387.488 0.999 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC001169191063 1201934804 /nfs/dbraw/zinc/93/48/04/1201934804.db2.gz KMHMWYUKMURODH-KFWWJZLASA-N 0 3 375.473 0.856 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[C@@](C)(O)[C@@H](F)C1 ZINC001169190702 1201935058 /nfs/dbraw/zinc/93/50/58/1201935058.db2.gz JPEVBPJDERBYAH-CKFHNAJUSA-N 0 3 395.479 0.787 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[C@](F)(CO)C1 ZINC001169194148 1201935487 /nfs/dbraw/zinc/93/54/87/1201935487.db2.gz ZZBMVVTXWRALNL-FZKQIMNGSA-N 0 3 381.452 0.399 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCc2c(cnn2C)C1 ZINC001169214251 1201938834 /nfs/dbraw/zinc/93/88/34/1201938834.db2.gz ZDRAGJJXSAMVMO-CQSZACIVSA-N 0 3 399.499 0.784 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@]3(C[C@@H](OCC(=O)NC)CO3)C2)CO1 ZINC001169383995 1201944333 /nfs/dbraw/zinc/94/43/33/1201944333.db2.gz CYRFAMUSXIRKRN-CYJAXWMASA-N 0 3 384.473 0.483 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N2C[C@@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)CO1 ZINC001169392346 1201945604 /nfs/dbraw/zinc/94/56/04/1201945604.db2.gz PVUCFRPIAMDAPS-GRLWTPEZSA-N 0 3 391.468 0.565 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)CO1 ZINC001169396763 1201945648 /nfs/dbraw/zinc/94/56/48/1201945648.db2.gz MEOXSFIDDVQJDR-PDOICOKGSA-N 0 3 398.500 0.825 20 0 GCADHN CCOC(=O)[C@H]1CC[C@H](N2C[C@H](NC(=O)c3ccno3)[C@@H]3OCCC[C@@H]32)CO1 ZINC001169396774 1201945778 /nfs/dbraw/zinc/94/57/78/1201945778.db2.gz MIMRAURBHFWKIY-WAXYHTEFSA-N 0 3 393.440 0.747 20 0 GCADHN CCOC(=O)[C@H]1CC[C@@H](N2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)CO1 ZINC001169399227 1201946243 /nfs/dbraw/zinc/94/62/43/1201946243.db2.gz VCWIZYMCVBTUQS-UYTYNIKBSA-N 0 3 396.484 0.988 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@H]3C(=O)N(CCOC)CCO[C@H]3C2)CO1 ZINC001169398687 1201946306 /nfs/dbraw/zinc/94/63/06/1201946306.db2.gz SUJKZHVDRNDCCJ-YVSFHVDLSA-N 0 3 384.473 0.293 20 0 GCADHN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN([C@H]1CCN(C(C)=O)C1)CC2 ZINC001169549075 1201950469 /nfs/dbraw/zinc/95/04/69/1201950469.db2.gz KULQCUHEEUXHEJ-IRXDYDNUSA-N 0 3 399.557 0.902 20 0 GCADHN CC(=O)N1CC[C@@H](N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@@H]3C)C1 ZINC001169541721 1201950717 /nfs/dbraw/zinc/95/07/17/1201950717.db2.gz ZKNOBMTVOMSVEA-GDBMZVCRSA-N 0 3 375.473 0.627 20 0 GCADHN CC(=O)N1CCC[C@H](NCc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001169586198 1201952719 /nfs/dbraw/zinc/95/27/19/1201952719.db2.gz UUFVHIJZEQRETQ-KRWDZBQOSA-N 0 3 381.498 0.808 20 0 GCADHN CC(=O)N1CCC[C@@H](N2C[C@@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)C1 ZINC001169614804 1201953181 /nfs/dbraw/zinc/95/31/81/1201953181.db2.gz JRHAMFSIYRPMIA-BRSBDYLESA-N 0 3 375.473 0.393 20 0 GCADHN CC(=O)N1CCC[C@H](N2C[C@@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)C1 ZINC001169616746 1201953331 /nfs/dbraw/zinc/95/33/31/1201953331.db2.gz YLHZKYCYELKVEU-YLFCFFPRSA-N 0 3 375.473 0.393 20 0 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Cc1noc(CCCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)n1 ZINC001109847972 1202135000 /nfs/dbraw/zinc/13/50/00/1202135000.db2.gz PQMUGDJDUSIKJW-IKGGRYGDSA-N 0 3 377.489 0.754 20 0 GCADHN CCOCCCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(CC)CC)C2 ZINC001109868170 1202139853 /nfs/dbraw/zinc/13/98/53/1202139853.db2.gz FDQJXFYLCGDIMF-MHORFTMASA-N 0 3 382.549 0.981 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC000771657536 1202153439 /nfs/dbraw/zinc/15/34/39/1202153439.db2.gz NUQOXXNXBSYEAM-CJNGLKHVSA-N 0 3 391.438 0.702 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC000771655670 1202153502 /nfs/dbraw/zinc/15/35/02/1202153502.db2.gz CDLNRGHVUQGMHV-HNNXBMFYSA-N 0 3 384.521 0.765 20 0 GCADHN O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC(F)(F)C(F)F ZINC001109953439 1202157771 /nfs/dbraw/zinc/15/77/71/1202157771.db2.gz KHOVNGMPHNPVSK-VWYCJHECSA-N 0 3 379.358 0.986 20 0 GCADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001109953711 1202157819 /nfs/dbraw/zinc/15/78/19/1202157819.db2.gz XAOVDZHOCNJFTP-WYUUTHIRSA-N 0 3 377.367 0.009 20 0 GCADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC001109953711 1202157820 /nfs/dbraw/zinc/15/78/20/1202157820.db2.gz XAOVDZHOCNJFTP-WYUUTHIRSA-N 0 3 377.367 0.009 20 0 GCADHN CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001109976133 1202164824 /nfs/dbraw/zinc/16/48/24/1202164824.db2.gz SPTHFBIYOCRSIS-AGIUHOORSA-N 0 3 376.461 0.255 20 0 GCADHN CCNC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001109994994 1202170055 /nfs/dbraw/zinc/17/00/55/1202170055.db2.gz LOUQTUOXTXYIIG-QZWWFDLISA-N 0 3 377.489 0.272 20 0 GCADHN O=C(Cn1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cn1)NC1CCCC1 ZINC000772071186 1202174308 /nfs/dbraw/zinc/17/43/08/1202174308.db2.gz RFZVPGCOEQCRKL-DLBZAZTESA-N 0 3 375.473 0.535 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001110021393 1202175820 /nfs/dbraw/zinc/17/58/20/1202175820.db2.gz BYBLPTCQOOERPQ-UKMLZYKCSA-N 0 3 379.505 0.426 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000772217922 1202176887 /nfs/dbraw/zinc/17/68/87/1202176887.db2.gz FTTLUOAALKPZAR-QGZVFWFLSA-N 0 3 395.529 0.130 20 0 GCADHN [NH3+]CCN(c1ccc(-c2nnn[n-]2)nc1)S(=O)(=O)c1cccc2cnccc21 ZINC001170075320 1205395845 /nfs/dbraw/zinc/39/58/45/1205395845.db2.gz YKTQHMISWJZFKW-UHFFFAOYSA-N 0 3 396.436 0.964 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000787668920 1205398191 /nfs/dbraw/zinc/39/81/91/1205398191.db2.gz IMYGWZLGAQNXCI-GJZGRUSLSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000787670877 1205398241 /nfs/dbraw/zinc/39/82/41/1205398241.db2.gz NBVIYNMPAZXFEO-OAHLLOKOSA-N 0 3 382.505 0.914 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000787671783 1205398777 /nfs/dbraw/zinc/39/87/77/1205398777.db2.gz RECHVDNANASUOT-QWHCGFSZSA-N 0 3 392.422 0.456 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000787753269 1205399666 /nfs/dbraw/zinc/39/96/66/1205399666.db2.gz XQCSGOOEDCJNMT-HUUCEWRRSA-N 0 3 382.505 0.960 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000787753272 1205399851 /nfs/dbraw/zinc/39/98/51/1205399851.db2.gz XQCSGOOEDCJNMT-LSDHHAIUSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@H](COc1ccccc1)NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000787909178 1205407009 /nfs/dbraw/zinc/40/70/09/1205407009.db2.gz KTJYYSQESZLAQB-QGZVFWFLSA-N 0 3 376.501 0.714 20 0 GCADHN CCN(C)c1ccccc1CNC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000787911552 1205407463 /nfs/dbraw/zinc/40/74/63/1205407463.db2.gz POGXEWXJZNYPHO-UHFFFAOYSA-N 0 3 389.544 0.903 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000787912986 1205407913 /nfs/dbraw/zinc/40/79/13/1205407913.db2.gz TZXHHTXXLRYXNU-KRWDZBQOSA-N 0 3 396.532 0.322 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)Cc2ccco2)CC1 ZINC000787955324 1205409829 /nfs/dbraw/zinc/40/98/29/1205409829.db2.gz YRUYGXIGLKHKHV-OAHLLOKOSA-N 0 3 378.473 0.339 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000787996499 1205411101 /nfs/dbraw/zinc/41/11/01/1205411101.db2.gz SQJYMCUQGXZMIM-MWDZPIOTSA-N 0 3 379.461 0.023 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)NC(=O)OC(C)(C)C ZINC000788242560 1205417022 /nfs/dbraw/zinc/41/70/22/1205417022.db2.gz JQFRLYBKXDZCAL-PXAZEXFGSA-N 0 3 388.534 0.569 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)CCSC1 ZINC000788250712 1205417343 /nfs/dbraw/zinc/41/73/43/1205417343.db2.gz IHERXQYHVVYCCP-SFHVURJKSA-N 0 3 385.530 0.542 20 0 GCADHN CC1CCC2(CC1)OC[C@@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)O2 ZINC000788255767 1205417490 /nfs/dbraw/zinc/41/74/90/1205417490.db2.gz VGLZMWMRCVTAQZ-KNJJTBQFSA-N 0 3 399.557 0.978 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)CCSC1 ZINC000788245381 1205417549 /nfs/dbraw/zinc/41/75/49/1205417549.db2.gz PTRGFIFQZSFAQQ-QGZVFWFLSA-N 0 3 388.534 0.523 20 0 GCADHN C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000788655859 1205428116 /nfs/dbraw/zinc/42/81/16/1205428116.db2.gz BSCUNNNQLOWABL-BQFCYCMXSA-N 0 3 387.484 0.939 20 0 GCADHN CN(CN1C(=O)NC2(CCN(C)CC2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788781772 1205430271 /nfs/dbraw/zinc/43/02/71/1205430271.db2.gz KPXXCQNVJVLFCV-QGZVFWFLSA-N 0 3 399.495 0.693 20 0 GCADHN CN(CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)OC(C)(C)C ZINC000788893647 1205432075 /nfs/dbraw/zinc/43/20/75/1205432075.db2.gz SZAJCRSDAJOSJF-CABCVRRESA-N 0 3 398.504 0.339 20 0 GCADHN CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000790026866 1205454936 /nfs/dbraw/zinc/45/49/36/1205454936.db2.gz MPPAXXURGSXKDU-UHFFFAOYSA-N 0 3 383.470 0.144 20 0 GCADHN Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)no1 ZINC000790194946 1205458878 /nfs/dbraw/zinc/45/88/78/1205458878.db2.gz KTNKSDLOEOGUIT-RHSMWYFYSA-N 0 3 377.489 0.646 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000790208452 1205459063 /nfs/dbraw/zinc/45/90/63/1205459063.db2.gz ISFDIJDVNNESOM-DLBZAZTESA-N 0 3 396.532 0.178 20 0 GCADHN CCN(CCc1ccccn1)C(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000790210323 1205459469 /nfs/dbraw/zinc/45/94/69/1205459469.db2.gz RYLMIDNKAKOHML-SFHVURJKSA-N 0 3 389.544 0.862 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CN2C[C@@]3(CN4CCC3CC4)OC2=O)C1 ZINC000790371030 1205463837 /nfs/dbraw/zinc/46/38/37/1205463837.db2.gz OCOZAMTVGVCROK-JXXFODFXSA-N 0 3 394.516 0.724 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790481893 1205465552 /nfs/dbraw/zinc/46/55/52/1205465552.db2.gz LIWKZSLWPSRDDE-CQSZACIVSA-N 0 3 386.493 0.149 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)c1cccs1)C2 ZINC001110092088 1205471510 /nfs/dbraw/zinc/47/15/10/1205471510.db2.gz QWFXINKBLLCEQM-KBXIAJHMSA-N 0 3 381.498 0.597 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)c1cccs1)C2 ZINC001110092089 1205471568 /nfs/dbraw/zinc/47/15/68/1205471568.db2.gz QWFXINKBLLCEQM-QPSCCSFWSA-N 0 3 381.498 0.597 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)C(C)(C)C)C2 ZINC001110093086 1205476900 /nfs/dbraw/zinc/47/69/00/1205476900.db2.gz JRZJRPFDEZAJAR-PMPSAXMXSA-N 0 3 382.505 0.023 20 0 GCADHN CC(C)[C@@H](NC[C@H]1CC2(CC2)C(=O)O1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791623961 1205478759 /nfs/dbraw/zinc/47/87/59/1205478759.db2.gz KREICSHXJSXJDD-CZUORRHYSA-N 0 3 375.473 0.893 20 0 GCADHN C[C@H](CN1CCN(C)CC1)NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792147115 1205484183 /nfs/dbraw/zinc/48/41/83/1205484183.db2.gz GQMLFJWRGBFJLM-QGZVFWFLSA-N 0 3 397.564 0.681 20 0 GCADHN COCCN1CC[C@H](NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792147340 1205484209 /nfs/dbraw/zinc/48/42/09/1205484209.db2.gz AAMCKFNJESIHTK-INIZCTEOSA-N 0 3 384.521 0.766 20 0 GCADHN Cc1nc(Cn2nnc(C(=O)OCCCN3CCN(C(C)C)CC3)c2C)no1 ZINC000792255205 1205485640 /nfs/dbraw/zinc/48/56/40/1205485640.db2.gz MJIXXTHZENCWHF-UHFFFAOYSA-N 0 3 391.476 0.899 20 0 GCADHN CS(=O)(=O)N1CCN(c2cccc(NCC(=O)NCc3ccco3)n2)CC1 ZINC001170379917 1205492000 /nfs/dbraw/zinc/49/20/00/1205492000.db2.gz COIVEQPCOGMOGJ-UHFFFAOYSA-N 0 3 393.469 0.485 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(Cl)n2)CC1 ZINC000792977959 1205494988 /nfs/dbraw/zinc/49/49/88/1205494988.db2.gz AQMWILRWZHMAKU-UHFFFAOYSA-N 0 3 379.848 0.440 20 0 GCADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000792971524 1205495295 /nfs/dbraw/zinc/49/52/95/1205495295.db2.gz BIBICPMSUYIABB-MRXNPFEDSA-N 0 3 384.521 0.502 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCc2cnccn2)c1 ZINC000793492996 1205499797 /nfs/dbraw/zinc/49/97/97/1205499797.db2.gz LERSLNMKZZTURB-UHFFFAOYSA-N 0 3 385.468 0.734 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)N1CCCCC1 ZINC000793711945 1205503126 /nfs/dbraw/zinc/50/31/26/1205503126.db2.gz ZKCUIMQAQKOSNQ-HNNXBMFYSA-N 0 3 381.521 0.629 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793710772 1205503202 /nfs/dbraw/zinc/50/32/02/1205503202.db2.gz UJTKKKPFBJSEAG-GJZGRUSLSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000793716668 1205503483 /nfs/dbraw/zinc/50/34/83/1205503483.db2.gz KSYYHBWERQWINI-MRXNPFEDSA-N 0 3 395.525 0.957 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)NC[C@H](C)N3CCCCC3)CC2)on1 ZINC000793721339 1205503550 /nfs/dbraw/zinc/50/35/50/1205503550.db2.gz IVYRUMKEWDWGIA-INIZCTEOSA-N 0 3 377.489 0.618 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C)N1CCCCC1 ZINC000793721078 1205503589 /nfs/dbraw/zinc/50/35/89/1205503589.db2.gz SNQXAFAYBFBPSS-IAGOWNOFSA-N 0 3 380.533 0.689 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)N1CCCCC1 ZINC000793700846 1205504459 /nfs/dbraw/zinc/50/44/59/1205504459.db2.gz PJRPWADIEROVCW-CABCVRRESA-N 0 3 390.488 0.022 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCCCC1 ZINC000793707318 1205504506 /nfs/dbraw/zinc/50/45/06/1205504506.db2.gz GJKLFMIFRKCSMB-QGZVFWFLSA-N 0 3 386.496 0.962 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)N1CCCCC1 ZINC000793707654 1205504679 /nfs/dbraw/zinc/50/46/79/1205504679.db2.gz IZYQKRYDNYVSQA-BRWVUGGUSA-N 0 3 391.516 0.683 20 0 GCADHN Cc1cccc(OC[C@H](C)NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000793800988 1205506502 /nfs/dbraw/zinc/50/65/02/1205506502.db2.gz QSGIEQIUCRVHDS-JZXOWHBKSA-N 0 3 375.469 0.858 20 0 GCADHN CN1CC[C@](O)(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793820690 1205507530 /nfs/dbraw/zinc/50/75/30/1205507530.db2.gz WIZSMUGLSOSRDA-FVJLSDCUSA-N 0 3 398.463 0.761 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000793817240 1205507592 /nfs/dbraw/zinc/50/75/92/1205507592.db2.gz ODKCYSCIOPUACW-UHFFFAOYSA-N 0 3 398.504 0.293 20 0 GCADHN CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000793903075 1205508729 /nfs/dbraw/zinc/50/87/29/1205508729.db2.gz UFVWYXYOFIDQDU-BZUAXINKSA-N 0 3 382.505 0.960 20 0 GCADHN CN(C)S(=O)(=O)CCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001114304026 1205514497 /nfs/dbraw/zinc/51/44/97/1205514497.db2.gz JAJOGGBNGMALRY-SUMCQTLJSA-N 0 3 381.542 0.917 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001129850217 1205520902 /nfs/dbraw/zinc/52/09/02/1205520902.db2.gz SEOUNCCQMYJUJN-DZUCGIPZSA-N 0 3 390.488 0.103 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](NCCC(F)(F)F)[C@@H](n3ccnn3)C2)C1 ZINC001129850201 1205520922 /nfs/dbraw/zinc/52/09/22/1205520922.db2.gz RHVBTNUOKMVEGM-LPWJVIDDSA-N 0 3 388.394 0.487 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000804748189 1205522610 /nfs/dbraw/zinc/52/26/10/1205522610.db2.gz VOSWINATAFZOIQ-CABCVRRESA-N 0 3 380.489 0.807 20 0 GCADHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804732506 1205523953 /nfs/dbraw/zinc/52/39/53/1205523953.db2.gz QKLQEQOPQZCNFH-BRWVUGGUSA-N 0 3 389.500 0.293 20 0 GCADHN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804732507 1205524144 /nfs/dbraw/zinc/52/41/44/1205524144.db2.gz QKLQEQOPQZCNFH-GVDBMIGSSA-N 0 3 389.500 0.293 20 0 GCADHN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804729750 1205524232 /nfs/dbraw/zinc/52/42/32/1205524232.db2.gz QOHPCLLUBYADFH-CABCVRRESA-N 0 3 380.489 0.713 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129898083 1205524444 /nfs/dbraw/zinc/52/44/44/1205524444.db2.gz LXOCUGQTSKBQJM-BDXSIMOUSA-N 0 3 377.489 0.861 20 0 GCADHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804732993 1205524581 /nfs/dbraw/zinc/52/45/81/1205524581.db2.gz AAFMBWGFVQQBJV-HYVNUMGLSA-N 0 3 394.516 0.960 20 0 GCADHN CCCCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129938179 1205524899 /nfs/dbraw/zinc/52/48/99/1205524899.db2.gz QCVHPLCNCKHSGC-KNEKCZJMSA-N 0 3 389.500 0.860 20 0 GCADHN O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129941335 1205525291 /nfs/dbraw/zinc/52/52/91/1205525291.db2.gz VTPSWVFVNFVLQJ-AVEIZBFRSA-N 0 3 377.489 0.455 20 0 GCADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1n1ccnn1 ZINC001129943203 1205525916 /nfs/dbraw/zinc/52/59/16/1205525916.db2.gz RETAJZBDXGDSSZ-BDXSIMOUSA-N 0 3 393.488 0.098 20 0 GCADHN O=C([C@@H]1C[C@H]1c1ccco1)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001130017765 1205528701 /nfs/dbraw/zinc/52/87/01/1205528701.db2.gz XLRYUNGQHMJGAJ-FPCVCCKLSA-N 0 3 375.429 0.025 20 0 GCADHN CCC[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC)[n-]1 ZINC001130240515 1205539154 /nfs/dbraw/zinc/53/91/54/1205539154.db2.gz SJHMSRFWRVLVDV-RQJABVFESA-N 0 3 378.477 0.065 20 0 GCADHN Cc1cccc(C)c1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000805674638 1205542568 /nfs/dbraw/zinc/54/25/68/1205542568.db2.gz DGDGJSUUJFUNOQ-SFHVURJKSA-N 0 3 386.496 0.685 20 0 GCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000806240230 1205552596 /nfs/dbraw/zinc/55/25/96/1205552596.db2.gz VDTJURXWWYBWFB-CRAIPNDOSA-N 0 3 389.500 0.848 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCC2(C)OCCO2)C1 ZINC000806374910 1205556129 /nfs/dbraw/zinc/55/61/29/1205556129.db2.gz QJRRSFDHPVLLOL-QGZVFWFLSA-N 0 3 375.469 0.989 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806465311 1205557652 /nfs/dbraw/zinc/55/76/52/1205557652.db2.gz UTQOGLJDUKSAME-CYBMUJFWSA-N 0 3 393.406 0.931 20 0 GCADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000806513132 1205558615 /nfs/dbraw/zinc/55/86/15/1205558615.db2.gz ATQABHVNTGWYPW-UHFFFAOYSA-N 0 3 387.440 0.023 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1(C)C ZINC000806698151 1205562934 /nfs/dbraw/zinc/56/29/34/1205562934.db2.gz PKLBTBVOEQKAJV-MRXNPFEDSA-N 0 3 396.532 0.321 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1COC2(CCC(C)CC2)O1 ZINC000806705678 1205563770 /nfs/dbraw/zinc/56/37/70/1205563770.db2.gz ACQKATHRCYADFM-WUJZJPHMSA-N 0 3 385.505 0.461 20 0 GCADHN O=C(NC[C@H]1COC2(CCOCC2)O1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000806716670 1205565116 /nfs/dbraw/zinc/56/51/16/1205565116.db2.gz XVTAFUBCVBIXJP-SJORKVTESA-N 0 3 395.500 0.502 20 0 GCADHN C[C@]1(C[C@@H]2CCCN2C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)NC(=O)NC1=O ZINC000806736460 1205566021 /nfs/dbraw/zinc/56/60/21/1205566021.db2.gz KOMHXMMABIWZGO-MOROJQBDSA-N 0 3 379.461 0.012 20 0 GCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c1 ZINC000806856697 1205568352 /nfs/dbraw/zinc/56/83/52/1205568352.db2.gz IZPIWIUNNUHZLM-OAHLLOKOSA-N 0 3 390.484 0.992 20 0 GCADHN CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000806902644 1205569766 /nfs/dbraw/zinc/56/97/66/1205569766.db2.gz AMJHOVYROAWNND-SJORKVTESA-N 0 3 388.468 0.696 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)CC1(C)OCCO1 ZINC000807422245 1205581639 /nfs/dbraw/zinc/58/16/39/1205581639.db2.gz FYGRHJPMBYTMQI-CVEARBPZSA-N 0 3 385.505 0.461 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000807457477 1205581787 /nfs/dbraw/zinc/58/17/87/1205581787.db2.gz FIRAKIPRVGHWPK-UHFFFAOYSA-N 0 3 386.493 0.150 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H](NC/C=C\Cl)C2)C1 ZINC001130991527 1205584768 /nfs/dbraw/zinc/58/47/68/1205584768.db2.gz PKWPFGVWWGDILM-PHEFVPHCSA-N 0 3 379.892 0.971 20 0 GCADHN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000807688047 1205588227 /nfs/dbraw/zinc/58/82/27/1205588227.db2.gz XEKDOYVYMHSOJD-MRXNPFEDSA-N 0 3 378.517 0.838 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@H](SC)C2)CC1 ZINC000807767310 1205589993 /nfs/dbraw/zinc/58/99/93/1205589993.db2.gz XQADLVCEEWWYAH-GJZGRUSLSA-N 0 3 384.546 0.399 20 0 GCADHN Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1NCCNC(=O)C1CC1 ZINC001131086499 1205594049 /nfs/dbraw/zinc/59/40/49/1205594049.db2.gz QQGQHKSWKXRCKL-BSDSXHPESA-N 0 3 385.512 0.876 20 0 GCADHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000808036144 1205595801 /nfs/dbraw/zinc/59/58/01/1205595801.db2.gz FLTWBHNXPFLYTB-CABCVRRESA-N 0 3 382.505 0.912 20 0 GCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCc1ccnn1C ZINC000808019597 1205596769 /nfs/dbraw/zinc/59/67/69/1205596769.db2.gz DQIJNVQBJQQQRQ-IBGZPJMESA-N 0 3 398.511 0.987 20 0 GCADHN O=C([C@H](O)[C@H](O)c1nc2ccccc2s1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000808156832 1205600698 /nfs/dbraw/zinc/60/06/98/1205600698.db2.gz PMWXNCNPMWFSHN-AVRGHOLYSA-N 0 3 377.466 0.358 20 0 GCADHN Cn1cc([C@@H]2N(CN3CCN(C(=O)CN4CCCC4)CC3)C(=O)C2(C)C)cn1 ZINC000808161336 1205601065 /nfs/dbraw/zinc/60/10/65/1205601065.db2.gz TUJXDHWHEZUWRU-SFHVURJKSA-N 0 3 388.516 0.527 20 0 GCADHN NC(=O)C[C@@H]1CCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000808227807 1205603047 /nfs/dbraw/zinc/60/30/47/1205603047.db2.gz DNWPHFZXQSOBPU-LAUBAEHRSA-N 0 3 399.495 0.728 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1=O ZINC000808270087 1205604469 /nfs/dbraw/zinc/60/44/69/1205604469.db2.gz RKTDEZXETJRJQB-DOTOQJQBSA-N 0 3 389.452 0.063 20 0 GCADHN O=C(CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1)NC1CC1 ZINC001131503352 1205613563 /nfs/dbraw/zinc/61/35/63/1205613563.db2.gz ZOWHSIBYPIJJMA-HUOQQOJOSA-N 0 3 377.485 0.287 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C ZINC000808923649 1205614343 /nfs/dbraw/zinc/61/43/43/1205614343.db2.gz ZXSPSRHASCENOU-AEFFLSMTSA-N 0 3 388.512 0.948 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCCc1c[nH]c2ccccc12 ZINC001131521916 1205615091 /nfs/dbraw/zinc/61/50/91/1205615091.db2.gz LZNPZDSZNQENRM-NVWIJCSXSA-N 0 3 396.491 0.956 20 0 GCADHN COc1cccc(CCNC(=O)CNCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001131517583 1205615366 /nfs/dbraw/zinc/61/53/66/1205615366.db2.gz VNVTXGOTPYYTQO-GJNTUIEKSA-N 0 3 387.480 0.483 20 0 GCADHN CCOc1cccc(CNC(=O)CNCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001131516613 1205615385 /nfs/dbraw/zinc/61/53/85/1205615385.db2.gz JIHOJXAAXJMWMC-GJNTUIEKSA-N 0 3 387.480 0.831 20 0 GCADHN CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001131531977 1205616487 /nfs/dbraw/zinc/61/64/87/1205616487.db2.gz STYJPLWLQBGEDE-MQOOWTBDSA-N 0 3 379.501 0.533 20 0 GCADHN C[C@H](NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)NCc1ccccc1F ZINC001131522211 1205616991 /nfs/dbraw/zinc/61/69/91/1205616991.db2.gz XEQWRAVTDHJZDC-OTGJZODBSA-N 0 3 375.444 0.960 20 0 GCADHN C[C@H](Nc1ncc(C(=O)N2CCC[C@@H]2C(N)=O)cc1Cl)[C@@H]1CNCCO1 ZINC001170574466 1205620555 /nfs/dbraw/zinc/62/05/55/1205620555.db2.gz WFYXHTGNCNVYCM-GDLCADMTSA-N 0 3 381.864 0.614 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCCc1ccccc1 ZINC001131645491 1205621838 /nfs/dbraw/zinc/62/18/38/1205621838.db2.gz ZPYKCKOPRYYVLC-JENIJYKNSA-N 0 3 375.469 0.103 20 0 GCADHN O=C(NCc1ccc(N2CCOC2=O)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000809427696 1205623905 /nfs/dbraw/zinc/62/39/05/1205623905.db2.gz YMXHPENXZCWURF-QGZVFWFLSA-N 0 3 386.452 0.956 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC000809403644 1205624267 /nfs/dbraw/zinc/62/42/67/1205624267.db2.gz FKMYRUXBCRDMJD-UKRRQHHQSA-N 0 3 393.557 0.611 20 0 GCADHN CC(C)(C)OC(=O)NC1CC(N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000809617889 1205627486 /nfs/dbraw/zinc/62/74/86/1205627486.db2.gz CRFJLOODUQELLQ-WUCCLRPBSA-N 0 3 389.518 0.130 20 0 GCADHN COC(=O)[C@]12CN(C(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)C[C@H]1COCC2 ZINC000809868038 1205630896 /nfs/dbraw/zinc/63/08/96/1205630896.db2.gz YFCYEIUELRJNEE-BXTJHSDWSA-N 0 3 395.500 0.261 20 0 GCADHN CC(C)(C)OC(=O)NCCOCCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000809943054 1205631602 /nfs/dbraw/zinc/63/16/02/1205631602.db2.gz SWBBUFQNPXPBQR-UHFFFAOYSA-N 0 3 384.521 0.768 20 0 GCADHN CCNS(=O)(=O)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000747580996 1205631648 /nfs/dbraw/zinc/63/16/48/1205631648.db2.gz LHTANDANRGPUCE-IRXDYDNUSA-N 0 3 398.529 0.108 20 0 GCADHN COC(=O)c1cn([C@H]2CCCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)nn1 ZINC000809977565 1205632252 /nfs/dbraw/zinc/63/22/52/1205632252.db2.gz JWZKLFFMIVILGE-SCLBCKFNSA-N 0 3 397.476 0.977 20 0 GCADHN CN(C[C@@H]1CCCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC000810016217 1205632808 /nfs/dbraw/zinc/63/28/08/1205632808.db2.gz XDFKBIFQHVQXFI-WMLDXEAASA-N 0 3 393.550 0.866 20 0 GCADHN C[C@H](NCCS(=O)(=O)N(C)C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000810261443 1205635193 /nfs/dbraw/zinc/63/51/93/1205635193.db2.gz DCSIUEDHJLKYGI-RDJZCZTQSA-N 0 3 399.513 0.894 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cnnn3C)cc2)CC1 ZINC000810347703 1205635966 /nfs/dbraw/zinc/63/59/66/1205635966.db2.gz LDUYOJFDYUEECF-UHFFFAOYSA-N 0 3 385.472 0.208 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](NCC(=O)N2CCOCC2)CN1C(=O)OC(C)(C)C ZINC001170610677 1205640172 /nfs/dbraw/zinc/64/01/72/1205640172.db2.gz OGVBECCRRBQXPS-GJZGRUSLSA-N 0 3 399.488 0.766 20 0 GCADHN CC(C)(C)OC(=O)CS(=O)(=O)CCN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC001170631185 1205650301 /nfs/dbraw/zinc/65/03/01/1205650301.db2.gz BJXHCBPRRFCKIC-WBVHZDCISA-N 0 3 377.503 0.653 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000811744232 1205655303 /nfs/dbraw/zinc/65/53/03/1205655303.db2.gz ZRAAWBFZECWFOL-PKOBYXMFSA-N 0 3 392.544 0.990 20 0 GCADHN CNc1nc(NC[C@@H](O)c2ccccn2)nc(NC[C@@H](O)c2ccccn2)n1 ZINC000811828649 1205657982 /nfs/dbraw/zinc/65/79/82/1205657982.db2.gz HRQCOTAVNDZJTR-HUUCEWRRSA-N 0 3 382.428 0.994 20 0 GCADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOC)C[C@@H]1C ZINC000812156950 1205661544 /nfs/dbraw/zinc/66/15/44/1205661544.db2.gz WAYBCBUZRKBRLI-IHRRRGAJSA-N 0 3 388.538 0.454 20 0 GCADHN CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOC)C[C@H]1C ZINC000812156952 1205661624 /nfs/dbraw/zinc/66/16/24/1205661624.db2.gz WAYBCBUZRKBRLI-RDBSUJKOSA-N 0 3 388.538 0.454 20 0 GCADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCOC ZINC000812128920 1205661633 /nfs/dbraw/zinc/66/16/33/1205661633.db2.gz LKRATFIOJACHQK-HNNXBMFYSA-N 0 3 380.493 0.204 20 0 GCADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC(C(=O)N(C)OC)CC1 ZINC000812869663 1205669956 /nfs/dbraw/zinc/66/99/56/1205669956.db2.gz IWXKTEXGXSLTBK-PTNGSMBKSA-N 0 3 385.486 0.698 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000812969825 1205670755 /nfs/dbraw/zinc/67/07/55/1205670755.db2.gz HOCITLVOWPZAGV-OAHLLOKOSA-N 0 3 387.484 0.157 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(C(=O)N(C)OC)CC2)CC1 ZINC000813085123 1205672976 /nfs/dbraw/zinc/67/29/76/1205672976.db2.gz XWYHZZVKJHZZIQ-INIZCTEOSA-N 0 3 383.537 0.701 20 0 GCADHN CCCc1nnc(SCC(=O)NC[C@@H](C)CN2CCN(CC)CC2)n1N ZINC000813452033 1205675999 /nfs/dbraw/zinc/67/59/99/1205675999.db2.gz UXMLADPIBRBMCH-CQSZACIVSA-N 0 3 383.566 0.426 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC1 ZINC000813752794 1205679998 /nfs/dbraw/zinc/67/99/98/1205679998.db2.gz YGRJBGYVYMYPOG-HNNXBMFYSA-N 0 3 388.534 0.812 20 0 GCADHN C[C@@H](NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)NC(=O)NC1CCCCC1 ZINC001134102249 1205687223 /nfs/dbraw/zinc/68/72/23/1205687223.db2.gz DBOXSCJBKQXMOA-MIGQKNRLSA-N 0 3 380.489 0.807 20 0 GCADHN COc1ccccc1CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134117409 1205687869 /nfs/dbraw/zinc/68/78/69/1205687869.db2.gz MVKXEFLTVIXDIA-ZDRJDWQYSA-N 0 3 375.469 0.973 20 0 GCADHN COc1ccccc1CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134117474 1205687873 /nfs/dbraw/zinc/68/78/73/1205687873.db2.gz PXVMZCKBZKCSPW-NUJGCVRESA-N 0 3 375.469 0.627 20 0 GCADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCC([C@@H]3COC(=O)N3)CC2)cn1 ZINC001134600730 1205695348 /nfs/dbraw/zinc/69/53/48/1205695348.db2.gz BTUIIFQEWRFJJP-BBWFWOEESA-N 0 3 375.473 0.802 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc(OC)c1C ZINC000815506636 1205705205 /nfs/dbraw/zinc/70/52/05/1205705205.db2.gz FDXHOORZRSLRHF-HUUCEWRRSA-N 0 3 377.441 0.930 20 0 GCADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463978 1205707975 /nfs/dbraw/zinc/70/79/75/1205707975.db2.gz YLMZNPOYNYSFIJ-ZDUSSCGKSA-N 0 3 383.395 0.207 20 0 GCADHN Cc1cccc2c1CC[C@@H](N[C@H]1[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]1O)C2 ZINC001171559596 1205708511 /nfs/dbraw/zinc/70/85/11/1205708511.db2.gz JHQHFVKFMMEKJP-UGNAIYESSA-N 0 3 387.436 0.024 20 0 GCADHN O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NC[C@]1(CO)COCCN1 ZINC001171662439 1205708776 /nfs/dbraw/zinc/70/87/76/1205708776.db2.gz YTZXEYBOHOSWEQ-IBGZPJMESA-N 0 3 396.919 0.319 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H]1Cc2cccc(F)c2C1 ZINC001171790474 1205710021 /nfs/dbraw/zinc/71/00/21/1205710021.db2.gz LWRHNFMLBRRPIL-MNXVOIDGSA-N 0 3 379.432 0.453 20 0 GCADHN Cc1cc(Cn2nnc(C(=O)N3CCC(N4CCN(C)CC4)CC3)c2C)on1 ZINC001171870358 1205710319 /nfs/dbraw/zinc/71/03/19/1205710319.db2.gz SGQHPKPHKGEKGF-UHFFFAOYSA-N 0 3 387.488 0.783 20 0 GCADHN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2[C@H]1CCN(C2CC2)C(=O)C1)c1ccnnc1 ZINC001172015391 1205711869 /nfs/dbraw/zinc/71/18/69/1205711869.db2.gz RQZKSQDWFNZWEM-FEUVXWNVSA-N 0 3 399.495 0.839 20 0 GCADHN C[C@@H](CCc1c(F)cc(Cl)cc1F)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001172575509 1205716109 /nfs/dbraw/zinc/71/61/09/1205716109.db2.gz IXBMOLQKQLJMRW-UGWLVQNASA-N 0 3 381.803 0.329 20 0 GCADHN C[C@H](Cc1c(F)cccc1Cl)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001172850670 1205717535 /nfs/dbraw/zinc/71/75/35/1205717535.db2.gz ZJQJZKFXNCUULI-ABAIWWIYSA-N 0 3 398.866 0.592 20 0 GCADHN COc1cccc2c1C[C@H](N1C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C1)CO2 ZINC001173166065 1205718765 /nfs/dbraw/zinc/71/87/65/1205718765.db2.gz KKDKHIBCCHBCSX-RDJZCZTQSA-N 0 3 387.480 0.867 20 0 GCADHN C[C@@H](CC(c1ccccc1)c1ccccc1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001173209858 1205718887 /nfs/dbraw/zinc/71/88/87/1205718887.db2.gz GUMDYAGXNVNEQY-WJYIIDMISA-N 0 3 387.476 0.987 20 0 GCADHN CCN1CC[C@H](N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)C(C)C)C1 ZINC001173355420 1205719592 /nfs/dbraw/zinc/71/95/92/1205719592.db2.gz ALWNWHQYGOXGLU-JQHSSLGASA-N 0 3 376.501 0.613 20 0 GCADHN CC(C)(C)OC(=O)[C@@H]1CC[C@@H](N[C@@H](CO)C(N)=O)C[C@@H]1C(=O)OC(C)(C)C ZINC001173372594 1205719922 /nfs/dbraw/zinc/71/99/22/1205719922.db2.gz JGSQCBBMHSAVFL-MQYQWHSLSA-N 0 3 386.489 0.891 20 0 GCADHN NCCS(=O)(=O)NC1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173382410 1205720284 /nfs/dbraw/zinc/72/02/84/1205720284.db2.gz ALNWYUUFNOCTHP-UHFFFAOYSA-N 0 3 390.303 0.932 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2CC[C@@](C)(CO)[C@@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001173499870 1205721518 /nfs/dbraw/zinc/72/15/18/1205721518.db2.gz VPECZQBCUUPCDX-WKRCXCSHSA-N 0 3 390.480 0.898 20 0 GCADHN CC[C@@]1(C(=O)OC)C[C@H](N(C)S(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001173538047 1205723530 /nfs/dbraw/zinc/72/35/30/1205723530.db2.gz DMUHVPPUBVFKGA-LRDDRELGSA-N 0 3 393.506 0.538 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C[C@@H]1C(=O)OC ZINC001173561091 1205723553 /nfs/dbraw/zinc/72/35/53/1205723553.db2.gz DLQCBMLTVSBTRV-RKQHYHRCSA-N 0 3 386.445 0.297 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2CCC(C(=O)N3CCN(C)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173583344 1205725141 /nfs/dbraw/zinc/72/51/41/1205725141.db2.gz QCADPZJRMXTLIX-BJWYYQGGSA-N 0 3 395.500 0.213 20 0 GCADHN CCCNC(=O)COC1CCN([C@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001173590694 1205725379 /nfs/dbraw/zinc/72/53/79/1205725379.db2.gz ZSTYSMJQZVKTPU-RBVVOMGSSA-N 0 3 384.473 0.734 20 0 GCADHN CCCNC(=O)COC1CCN([C@@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001173590688 1205725597 /nfs/dbraw/zinc/72/55/97/1205725597.db2.gz ZSTYSMJQZVKTPU-MKZZRHPPSA-N 0 3 384.473 0.734 20 0 GCADHN COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC001174708357 1205731847 /nfs/dbraw/zinc/73/18/47/1205731847.db2.gz NPTBASXYRDXKAA-RHSMWYFYSA-N 0 3 399.451 0.312 20 0 GCADHN COCCOCCc1ncc(C(=O)N(C)CCN2CC3(C2)CCOCC3)[nH]1 ZINC001174860618 1205732927 /nfs/dbraw/zinc/73/29/27/1205732927.db2.gz ABVAOHKXXHLSQF-UHFFFAOYSA-N 0 3 380.489 0.800 20 0 GCADHN CNC(=O)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001110181003 1205735114 /nfs/dbraw/zinc/73/51/14/1205735114.db2.gz MTDHCGPTPLXUJX-NCOADZHNSA-N 0 3 377.489 0.272 20 0 GCADHN O=C(N[C@@H]1CCC[C@H]1N1CCC(O)CC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001175180254 1205736004 /nfs/dbraw/zinc/73/60/04/1205736004.db2.gz OFEHEJQBHIAXKW-UNEWFSDZSA-N 0 3 394.497 0.211 20 0 GCADHN CN1CCC=C(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)C1 ZINC001175582039 1205739421 /nfs/dbraw/zinc/73/94/21/1205739421.db2.gz BYQWPKNMTRSXSF-ICUGJSFKSA-N 0 3 382.482 0.210 20 0 GCADHN C[C@H](O)[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001175638401 1205739651 /nfs/dbraw/zinc/73/96/51/1205739651.db2.gz LLYJKTLHBLKYNF-QRTUWBSPSA-N 0 3 385.461 0.243 20 0 GCADHN C[C@H](O)[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001175638400 1205739770 /nfs/dbraw/zinc/73/97/70/1205739770.db2.gz LLYJKTLHBLKYNF-JARUQAPTSA-N 0 3 385.461 0.243 20 0 GCADHN NC(=O)NC(=O)OCCCN1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC001175680068 1205740348 /nfs/dbraw/zinc/74/03/48/1205740348.db2.gz YZJQVXTZTGHQMN-IBGZPJMESA-N 0 3 390.440 0.685 20 0 GCADHN O=C(Cn1ccnc1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001110195138 1205746241 /nfs/dbraw/zinc/74/62/41/1205746241.db2.gz SOHMVWRKSWHSET-MQYQWHSLSA-N 0 3 376.379 0.544 20 0 GCADHN O=C(Cn1ccnc1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001110195139 1205746455 /nfs/dbraw/zinc/74/64/55/1205746455.db2.gz SOHMVWRKSWHSET-RFGFWPKPSA-N 0 3 376.379 0.544 20 0 GCADHN CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCCN(C)CCNC(=O)OC(C)(C)C ZINC001176385272 1205746500 /nfs/dbraw/zinc/74/65/00/1205746500.db2.gz LVCMWPUKUJSSBT-OAHLLOKOSA-N 0 3 396.492 0.030 20 0 GCADHN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCN(C)CCNC(=O)OC(C)(C)C ZINC001176385272 1205746502 /nfs/dbraw/zinc/74/65/02/1205746502.db2.gz LVCMWPUKUJSSBT-OAHLLOKOSA-N 0 3 396.492 0.030 20 0 GCADHN CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001176358270 1205747139 /nfs/dbraw/zinc/74/71/39/1205747139.db2.gz ZNCHECXMXGUEAI-GOSISDBHSA-N 0 3 399.499 0.334 20 0 GCADHN CCC1(CC)CNC(=O)[C@H]1NCCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC001176453498 1205748061 /nfs/dbraw/zinc/74/80/61/1205748061.db2.gz VNLSEHSJOZVGTI-CQSZACIVSA-N 0 3 393.488 0.557 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCN3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176778147 1205753196 /nfs/dbraw/zinc/75/31/96/1205753196.db2.gz RWYSOHMDFWCLPS-HOTGVXAUSA-N 0 3 398.504 0.111 20 0 GCADHN Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)Cc2c[nH]cn2)C3)nn1 ZINC001176828697 1205755801 /nfs/dbraw/zinc/75/58/01/1205755801.db2.gz DHMFLKVKXWDEIQ-HNAYVOBHSA-N 0 3 386.456 0.797 20 0 GCADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)Cc1c[nH]cn1)C2 ZINC001176829029 1205755806 /nfs/dbraw/zinc/75/58/06/1205755806.db2.gz KAJHWQORVAGXMC-IBGZPJMESA-N 0 3 382.424 0.214 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H]1CCOC12CCOCC2 ZINC001176832785 1205756005 /nfs/dbraw/zinc/75/60/05/1205756005.db2.gz ILQITZDIIOPQTE-OAHLLOKOSA-N 0 3 399.469 0.209 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000773608294 1205761238 /nfs/dbraw/zinc/76/12/38/1205761238.db2.gz MHHUCJSOTULDQL-CVEARBPZSA-N 0 3 382.505 0.914 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001110212888 1205773863 /nfs/dbraw/zinc/77/38/63/1205773863.db2.gz TVPJRZOFWOMZMP-NCOADZHNSA-N 0 3 378.517 0.868 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001110212889 1205773962 /nfs/dbraw/zinc/77/39/62/1205773962.db2.gz TVPJRZOFWOMZMP-QZWWFDLISA-N 0 3 378.517 0.868 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1 ZINC001179009129 1205799449 /nfs/dbraw/zinc/79/94/49/1205799449.db2.gz ZLVLQJDOYZIWLU-OAHLLOKOSA-N 0 3 381.498 0.920 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@@]23COC[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001179149180 1205803622 /nfs/dbraw/zinc/80/36/22/1205803622.db2.gz BBXLGIBXIRWMHB-LIRRHRJNSA-N 0 3 383.489 0.443 20 0 GCADHN C[C@H]1[C@@H](NCC(=O)NC(=O)NC(C)(C)C)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001179184260 1205803628 /nfs/dbraw/zinc/80/36/28/1205803628.db2.gz QYDUYQVPZDEKLH-XSOIWRAYSA-N 0 3 392.500 0.613 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001179145773 1205803654 /nfs/dbraw/zinc/80/36/54/1205803654.db2.gz XEXFMPWYHBSVIX-KHYOSLBOSA-N 0 3 383.489 0.659 20 0 GCADHN CCCCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H]1C ZINC001179184233 1205803746 /nfs/dbraw/zinc/80/37/46/1205803746.db2.gz PXVSVUNKPUZPMP-ZTOOVHTFSA-N 0 3 392.500 0.615 20 0 GCADHN CN1C[C@@H](C(=O)NCc2c[nH]nn2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179154956 1205803994 /nfs/dbraw/zinc/80/39/94/1205803994.db2.gz ATNLHFXJPKQMKS-AWEZNQCLSA-N 0 3 394.476 0.521 20 0 GCADHN C[C@H]1[C@@H](NCC(=O)NCC(C)(C)C)CCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001179202579 1205804669 /nfs/dbraw/zinc/80/46/69/1205804669.db2.gz INWHIRZNLAPPSA-IQWQSGHPSA-N 0 3 381.517 0.779 20 0 GCADHN CN1CCC(CO)(NC(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001179212247 1205805142 /nfs/dbraw/zinc/80/51/42/1205805142.db2.gz GMMAOSWPEBSAQG-LJQANCHMSA-N 0 3 396.488 0.715 20 0 GCADHN CCCCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1C ZINC001179584873 1205812528 /nfs/dbraw/zinc/81/25/28/1205812528.db2.gz DSUKCNPPLABRDF-OTJKEOIZSA-N 0 3 380.489 0.759 20 0 GCADHN NS(=O)(=O)c1cc(CNCCN2CCC3(C2)OCCO3)ccc1Cl ZINC001179640786 1205813107 /nfs/dbraw/zinc/81/31/07/1205813107.db2.gz CCTPLXBHCUJBDW-UHFFFAOYSA-N 0 3 375.878 0.526 20 0 GCADHN COC[C@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)Cc1nc(N)n[nH]1)CC2 ZINC001180246448 1205819927 /nfs/dbraw/zinc/81/99/27/1205819927.db2.gz MQULDUYKLQFKRW-MRXNPFEDSA-N 0 3 399.499 0.854 20 0 GCADHN COCCN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)C1CCN(C)CC1 ZINC001180377490 1205822745 /nfs/dbraw/zinc/82/27/45/1205822745.db2.gz JKPZWIRHZSUTMA-UHFFFAOYSA-N 0 3 383.514 0.836 20 0 GCADHN CCN(CC)CC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001180387408 1205823356 /nfs/dbraw/zinc/82/33/56/1205823356.db2.gz GYIZKDZWPOEZKO-HNNXBMFYSA-N 0 3 385.472 0.403 20 0 GCADHN CCN(CC)CC(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001180389369 1205823554 /nfs/dbraw/zinc/82/35/54/1205823554.db2.gz VWHZTNHUORDMGE-YESZJQIVSA-N 0 3 377.489 0.355 20 0 GCADHN CCN(CC)CC(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001180388128 1205823572 /nfs/dbraw/zinc/82/35/72/1205823572.db2.gz MCGGTDTUEKFATQ-UHFFFAOYSA-N 0 3 392.504 0.491 20 0 GCADHN C[C@@H](C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1 ZINC001180581198 1205826138 /nfs/dbraw/zinc/82/61/38/1205826138.db2.gz BSHNJLNQZKIZRC-HNNXBMFYSA-N 0 3 381.498 0.808 20 0 GCADHN C[C@H](C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1)N1CCCC1 ZINC001180577781 1205826289 /nfs/dbraw/zinc/82/62/89/1205826289.db2.gz DCYNTQQWKZKOQG-SJORKVTESA-N 0 3 379.501 0.727 20 0 GCADHN C[C@H](C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1)N1CCCC1 ZINC001180577666 1205826327 /nfs/dbraw/zinc/82/63/27/1205826327.db2.gz CNYDDNCIKMYCCJ-HLIPFELVSA-N 0 3 379.501 0.585 20 0 GCADHN CC(C)C(=O)N1CCN(C(=O)[C@@H](C)N2CCCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001180579886 1205826352 /nfs/dbraw/zinc/82/63/52/1205826352.db2.gz POYSKXXZORARJK-UZLBHIALSA-N 0 3 378.517 0.836 20 0 GCADHN CC(C)(C)OC(=O)N1CCN2C[C@@H](CNC(=O)[C@@H]3CSCC(=O)N3)C[C@H]2C1 ZINC001180557086 1205827518 /nfs/dbraw/zinc/82/75/18/1205827518.db2.gz WNJNXSBJVFASKR-RDBSUJKOSA-N 0 3 398.529 0.275 20 0 GCADHN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)CN(C)C1CCCC1 ZINC001180626654 1205828318 /nfs/dbraw/zinc/82/83/18/1205828318.db2.gz RXNMZSQQKXHZQK-INIZCTEOSA-N 0 3 387.488 0.910 20 0 GCADHN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)CN(C)C1CCCC1)C2 ZINC001180627192 1205828736 /nfs/dbraw/zinc/82/87/36/1205828736.db2.gz DENFCYJHUULQME-UHFFFAOYSA-N 0 3 378.477 0.100 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)C1 ZINC001180686493 1205829942 /nfs/dbraw/zinc/82/99/42/1205829942.db2.gz KVVXLPXYFVIJAS-SFHVURJKSA-N 0 3 386.496 0.881 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)C1 ZINC001180686492 1205830055 /nfs/dbraw/zinc/83/00/55/1205830055.db2.gz KVVXLPXYFVIJAS-GOSISDBHSA-N 0 3 386.496 0.881 20 0 GCADHN CN1CCO[C@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)C1 ZINC001180761027 1205831786 /nfs/dbraw/zinc/83/17/86/1205831786.db2.gz SUCZQXDZEQRTCF-PMPSAXMXSA-N 0 3 382.505 0.374 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@](C)(CO)Cn2cnc3ccccc32)CC1=O ZINC001180721547 1205831865 /nfs/dbraw/zinc/83/18/65/1205831865.db2.gz UGCFAHIHKWORHM-QRWLVFNGSA-N 0 3 387.484 0.314 20 0 GCADHN CC(=O)N1[C@@H](C(=O)NCCON)CSC12CCN(Cc1ccccc1)CC2 ZINC001180821670 1205833008 /nfs/dbraw/zinc/83/30/08/1205833008.db2.gz HHRBUSYCJYJZQQ-QGZVFWFLSA-N 0 3 392.525 0.949 20 0 GCADHN CN1CCC(CO)(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC001180805512 1205833566 /nfs/dbraw/zinc/83/35/66/1205833566.db2.gz PVVLJLXXDCXSOR-UHFFFAOYSA-N 0 3 395.525 0.660 20 0 GCADHN COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)COCCO)CC2 ZINC001181773822 1205849528 /nfs/dbraw/zinc/84/95/28/1205849528.db2.gz RGEMVIQBFNAUGR-SFHVURJKSA-N 0 3 377.485 0.920 20 0 GCADHN CN1CCC(O)(C(=O)N2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)CC1 ZINC001182031059 1205853508 /nfs/dbraw/zinc/85/35/08/1205853508.db2.gz KESSQRJGQBLZLZ-HRCADAONSA-N 0 3 379.432 0.815 20 0 GCADHN CN1CCC(O)(C(=O)N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)CC1 ZINC001182030774 1205853552 /nfs/dbraw/zinc/85/35/52/1205853552.db2.gz HITSXMOYMZELSD-KDOFPFPSSA-N 0 3 379.432 0.531 20 0 GCADHN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001182031012 1205853618 /nfs/dbraw/zinc/85/36/18/1205853618.db2.gz IMBJUSKNAZKVGU-MRXNPFEDSA-N 0 3 381.517 0.567 20 0 GCADHN CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)C2(O)CCN(C)CC2)CC1 ZINC001182028739 1205853639 /nfs/dbraw/zinc/85/36/39/1205853639.db2.gz ZLPDZLFVWDNGLG-UHFFFAOYSA-N 0 3 377.489 0.845 20 0 GCADHN CN1CCC(O)(C(=O)N[C@H](CO)[C@@H](O)c2ccc(Br)cc2)CC1 ZINC001182029037 1205853670 /nfs/dbraw/zinc/85/36/70/1205853670.db2.gz MBWOXMHHHPNQDO-KGLIPLIRSA-N 0 3 387.274 0.416 20 0 GCADHN CN1CCC(O)(C(=O)N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)CC1 ZINC001182030682 1205853689 /nfs/dbraw/zinc/85/36/89/1205853689.db2.gz FHLXMLJYBKHQBR-GVDBMIGSSA-N 0 3 375.469 0.923 20 0 GCADHN CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001182031407 1205853822 /nfs/dbraw/zinc/85/38/22/1205853822.db2.gz MMDHQKKMTCWUPN-UHFFFAOYSA-N 0 3 394.541 0.913 20 0 GCADHN CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)C3(O)CCN(C)CC3)C2)O1 ZINC001182032901 1205853828 /nfs/dbraw/zinc/85/38/28/1205853828.db2.gz VYHHSWFIQHDJLW-CRAIPNDOSA-N 0 3 382.505 0.255 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)CC1 ZINC001182031735 1205853941 /nfs/dbraw/zinc/85/39/41/1205853941.db2.gz OZKNYVNEZQNEAR-QGZVFWFLSA-N 0 3 395.454 0.997 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC3(CC2)CN(Cc2ccoc2)CCO3)CC1 ZINC001182032171 1205853957 /nfs/dbraw/zinc/85/39/57/1205853957.db2.gz SLVNZDIWWZCSJX-UHFFFAOYSA-N 0 3 377.485 0.930 20 0 GCADHN CN1CCC(O)(C(=O)N2CCO[C@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)CC1 ZINC001182033544 1205854020 /nfs/dbraw/zinc/85/40/20/1205854020.db2.gz XZILRWBZHMGDDF-RCCFBDPRSA-N 0 3 392.500 0.505 20 0 GCADHN COC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)C1(O)CCN(C)CC1 ZINC001182036425 1205854161 /nfs/dbraw/zinc/85/41/61/1205854161.db2.gz BHHCLROLOSCURV-ZDUSSCGKSA-N 0 3 387.477 0.406 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC3(CC2)C(=O)NCN3c2ccc(F)cc2)CC1 ZINC001182034808 1205854252 /nfs/dbraw/zinc/85/42/52/1205854252.db2.gz VSKQEFJQJLDWQW-UHFFFAOYSA-N 0 3 390.459 0.537 20 0 GCADHN C[C@H]1C(=O)OC[C@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001182086852 1205854728 /nfs/dbraw/zinc/85/47/28/1205854728.db2.gz MAZKGARPAMKXHE-APIJFGDWSA-N 0 3 381.473 0.853 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)Cc2c(C)noc2C)CC1 ZINC000774177109 1205865465 /nfs/dbraw/zinc/86/54/65/1205865465.db2.gz GRNSMEGSYWQRFP-AWEZNQCLSA-N 0 3 379.505 0.640 20 0 GCADHN COc1ccc(NC(=O)[C@@H]2C[C@H]2C(N)=O)cc1OCCCN1CCN(C)CC1 ZINC001182385859 1205866981 /nfs/dbraw/zinc/86/69/81/1205866981.db2.gz XXVRXWWEGASPHI-HZPDHXFCSA-N 0 3 390.484 0.771 20 0 GCADHN Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2CC2CC2)[C@@H]2COC[C@H]12 ZINC001182556088 1205875850 /nfs/dbraw/zinc/87/58/50/1205875850.db2.gz FVQBRFVIRJDNGD-ZAWLATJESA-N 0 3 386.496 0.855 20 0 GCADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2CCCN2CC2CC2)C1 ZINC001182554597 1205875935 /nfs/dbraw/zinc/87/59/35/1205875935.db2.gz WINKDNKKKFJIDF-WMZOPIPTSA-N 0 3 389.500 0.479 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@H](C)C2N=NC(=O)N2C)CC1 ZINC001182675602 1205878106 /nfs/dbraw/zinc/87/81/06/1205878106.db2.gz QVLBBBDOXUNKLZ-LLVKDONJSA-N 0 3 383.478 0.365 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@@H](O)c1ccc3c(c1)CCO3)CC2 ZINC001182657469 1205878423 /nfs/dbraw/zinc/87/84/23/1205878423.db2.gz QFKLWJXBZRIIOM-IBGZPJMESA-N 0 3 387.480 0.858 20 0 GCADHN CC(C)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)CC[C@@H]21 ZINC001182814171 1205880543 /nfs/dbraw/zinc/88/05/43/1205880543.db2.gz WNDBCNSOSLPRNO-PVAVHDDUSA-N 0 3 380.514 0.628 20 0 GCADHN CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N[C@H]2CCCN(C)C2)c(=O)[nH]1 ZINC001182833283 1205880847 /nfs/dbraw/zinc/88/08/47/1205880847.db2.gz HXGPUSZYYJFORR-NSHDSACASA-N 0 3 375.433 0.337 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)CC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC001182850613 1205882939 /nfs/dbraw/zinc/88/29/39/1205882939.db2.gz JUOXOHPBRBGVJC-JKSUJKDBSA-N 0 3 390.509 0.846 20 0 GCADHN NC[C@@H](NC(=O)[C@@H]1CCNC1=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001183027692 1205885535 /nfs/dbraw/zinc/88/55/35/1205885535.db2.gz VUVZMKNKNBUHAM-IEBWSBKVSA-N 0 3 393.443 0.922 20 0 GCADHN CN(C[C@@H](O)CO)C(=O)C1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183130806 1205886940 /nfs/dbraw/zinc/88/69/40/1205886940.db2.gz ACWYWHWDXMIOQU-JKSUJKDBSA-N 0 3 385.505 0.519 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)NC[C@H]3CNC(=O)O3)CC2)C1 ZINC001183166553 1205888964 /nfs/dbraw/zinc/88/89/64/1205888964.db2.gz CCTBHPQCGFJCKS-CABCVRRESA-N 0 3 396.488 0.932 20 0 GCADHN CC(C)[C@H](C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1)N(C)C ZINC001183359533 1205891324 /nfs/dbraw/zinc/89/13/24/1205891324.db2.gz FOZXBRDPEWVMRB-PNBKFKSVSA-N 0 3 375.473 0.722 20 0 GCADHN Cn1ccnc1[C@@](O)(CC(=O)N[C@H]1CCCN(CCCO)C1)C(F)(F)F ZINC001183486964 1205892787 /nfs/dbraw/zinc/89/27/87/1205892787.db2.gz QXEYTKZXZKYILS-WFASDCNBSA-N 0 3 378.395 0.523 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCOCC2)CC1 ZINC001183524477 1205893749 /nfs/dbraw/zinc/89/37/49/1205893749.db2.gz GVKIGOIGQOSIEU-HNNXBMFYSA-N 0 3 385.505 0.879 20 0 GCADHN C[C@@]1(O)C=C[C@@H](O)C(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)=C1 ZINC001183537029 1205895434 /nfs/dbraw/zinc/89/54/34/1205895434.db2.gz KCTKGSOJBSDMRO-YLJYHZDGSA-N 0 3 396.451 0.308 20 0 GCADHN CC[C@H]1CCN(CC(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)C1=O ZINC001183671646 1205897272 /nfs/dbraw/zinc/89/72/72/1205897272.db2.gz HWLUPHUANFZJPU-KRWDZBQOSA-N 0 3 386.496 0.881 20 0 GCADHN CC[C@H]1CCN(CC(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1=O ZINC001183674060 1205897588 /nfs/dbraw/zinc/89/75/88/1205897588.db2.gz VJDZTTWQAXQUQJ-INIZCTEOSA-N 0 3 378.517 0.838 20 0 GCADHN CN(CC(=O)NC1(CO)CCN(C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183816741 1205900562 /nfs/dbraw/zinc/90/05/62/1205900562.db2.gz JZMNJOVUHLEPGJ-MRXNPFEDSA-N 0 3 398.548 0.891 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCS(=O)(=O)c3ccccc3C1)C2=O ZINC000774694064 1205902106 /nfs/dbraw/zinc/90/21/06/1205902106.db2.gz MHVFUELUVRIBTP-UHFFFAOYSA-N 0 3 392.481 0.250 20 0 GCADHN NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H](O)Cc2ccc(O)cc2)CC1 ZINC001183907730 1205902666 /nfs/dbraw/zinc/90/26/66/1205902666.db2.gz NYBPMJROPCEQJJ-LJQANCHMSA-N 0 3 397.475 0.932 20 0 GCADHN COc1ccc(NC(=O)C2(CO)COC2)cc1OCCCN1CCN(C)CC1 ZINC001184047510 1205904422 /nfs/dbraw/zinc/90/44/22/1205904422.db2.gz MBYVFDYAGXMNLT-UHFFFAOYSA-N 0 3 393.484 0.659 20 0 GCADHN CN(C)CCN(C(=O)C1(CO)COC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001184043239 1205904441 /nfs/dbraw/zinc/90/44/41/1205904441.db2.gz IYRDENHUOOYFEM-OAHLLOKOSA-N 0 3 385.505 0.785 20 0 GCADHN NC[C@H](NC(=O)C1(CO)COC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001184046343 1205904460 /nfs/dbraw/zinc/90/44/60/1205904460.db2.gz HKMWDKONSIPYCG-IBGZPJMESA-N 0 3 396.443 0.795 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000774725542 1205906503 /nfs/dbraw/zinc/90/65/03/1205906503.db2.gz FCLJIKWCXJLRNH-CVEARBPZSA-N 0 3 391.468 0.342 20 0 GCADHN COc1cc(CC(=O)C(=O)N2CC[C@H]3[C@H]2CCN3CCN(C)C)ccc1O ZINC001184248807 1205907078 /nfs/dbraw/zinc/90/70/78/1205907078.db2.gz MRZOLFKCBAHACP-JKSUJKDBSA-N 0 3 375.469 0.749 20 0 GCADHN CC[C@@H](C)C(=O)C(=O)N1CCc2c(nnn2C)[C@H]1COCCN1CCCC1 ZINC001184318038 1205907962 /nfs/dbraw/zinc/90/79/62/1205907962.db2.gz DHIJQEQFSVBJNM-GDBMZVCRSA-N 0 3 377.489 0.969 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001184319249 1205908056 /nfs/dbraw/zinc/90/80/56/1205908056.db2.gz BOMPGCXPSVCSIS-ILXRZTDVSA-N 0 3 380.489 0.665 20 0 GCADHN N[C@@H]1NCN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@H]2NCN[C@H]21 ZINC001184404859 1205908963 /nfs/dbraw/zinc/90/89/63/1205908963.db2.gz MTGMWFUZSDFCPQ-XLNGHYISSA-N 0 3 378.908 0.071 20 0 GCADHN COC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184407521 1205909576 /nfs/dbraw/zinc/90/95/76/1205909576.db2.gz RTZUEWICBUYWCD-CQSZACIVSA-N 0 3 381.860 0.957 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@H](C)NCc2cn(CC)c(=O)[nH]c2=O)CC1 ZINC001184411047 1205909743 /nfs/dbraw/zinc/90/97/43/1205909743.db2.gz QACIZXIBNFURTN-ZDUSSCGKSA-N 0 3 394.472 0.639 20 0 GCADHN CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)N(C)CC1CCN(C)CC1 ZINC001184419878 1205910162 /nfs/dbraw/zinc/91/01/62/1205910162.db2.gz WLEKXFUUKXRXDD-MJGOQNOKSA-N 0 3 375.469 0.535 20 0 GCADHN CCOC(=O)c1sc(S(=O)(=O)N(CCN(C)C)CCN(C)C)nc1C ZINC001184943448 1205915299 /nfs/dbraw/zinc/91/52/99/1205915299.db2.gz TTYQBCSIIUDLJS-UHFFFAOYSA-N 0 3 392.547 0.742 20 0 GCADHN CO[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCN2C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001185252716 1205919261 /nfs/dbraw/zinc/91/92/61/1205919261.db2.gz UCAAJAXKVWYMHB-ZGXWSNOMSA-N 0 3 387.528 0.375 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCN2C)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC001185255686 1205919741 /nfs/dbraw/zinc/91/97/41/1205919741.db2.gz AHMCUPXJFPXNRE-PVAVHDDUSA-N 0 3 385.516 0.877 20 0 GCADHN O=C(NC[C@H](c1ccco1)N1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000774865218 1205921837 /nfs/dbraw/zinc/92/18/37/1205921837.db2.gz HNQCGWXNFIGLRD-BRWVUGGUSA-N 0 3 390.484 0.512 20 0 GCADHN COc1nccc(F)c1C(=O)n1ccc(=NCCN2CCOCC2)c(N)c1 ZINC001185544717 1205924628 /nfs/dbraw/zinc/92/46/28/1205924628.db2.gz NKCHJIZDHAOEHW-UHFFFAOYSA-N 0 3 375.404 0.534 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N(C)Cc1nnc2ccccn21)Cc1ccccc1 ZINC000774916403 1205927962 /nfs/dbraw/zinc/92/79/62/1205927962.db2.gz CFOPIBNCYAZTLC-KRWDZBQOSA-N 0 3 394.479 0.977 20 0 GCADHN COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1)C(C)C ZINC001185677902 1205927986 /nfs/dbraw/zinc/92/79/86/1205927986.db2.gz VLLUARXMLNRVCR-NXOAAHMSSA-N 0 3 394.516 0.911 20 0 GCADHN COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2[C@H](C1)CCCN2C)C(C)C ZINC001185677904 1205928065 /nfs/dbraw/zinc/92/80/65/1205928065.db2.gz VLLUARXMLNRVCR-QAETUUGQSA-N 0 3 394.516 0.911 20 0 GCADHN CCOC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001185872433 1205930201 /nfs/dbraw/zinc/93/02/01/1205930201.db2.gz HGXSKSYIFGMNFY-HOTGVXAUSA-N 0 3 376.457 0.930 20 0 GCADHN CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2c(CN(C)C(C)C)n[nH]c2C1 ZINC001185866463 1205931216 /nfs/dbraw/zinc/93/12/16/1205931216.db2.gz FVHVHXZIKCOLNR-ZDUSSCGKSA-N 0 3 394.476 0.125 20 0 GCADHN COC(=O)[C@H]1CCN(CC(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001186116627 1205935647 /nfs/dbraw/zinc/93/56/47/1205935647.db2.gz JIMZCHUDIZZVFD-INIZCTEOSA-N 0 3 394.516 0.074 20 0 GCADHN Cn1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c(C(C)(C)C)n1 ZINC001186277174 1205937342 /nfs/dbraw/zinc/93/73/42/1205937342.db2.gz CWDLCCZQRAUKJI-ZDUSSCGKSA-N 0 3 385.534 0.583 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000775001865 1205938046 /nfs/dbraw/zinc/93/80/46/1205938046.db2.gz FYDCKFPHKJHBSK-HUUCEWRRSA-N 0 3 382.505 0.960 20 0 GCADHN CCN(CCN[C@H](C)C(=O)NCC(F)(F)F)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001273522540 1205941490 /nfs/dbraw/zinc/94/14/90/1205941490.db2.gz XIKIPMXEMZLXGF-PRFQISJJSA-N 0 3 377.407 0.915 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001186576855 1205942305 /nfs/dbraw/zinc/94/23/05/1205942305.db2.gz LTGPJHPCPPHYMO-GJZGRUSLSA-N 0 3 398.504 0.291 20 0 GCADHN CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN(C)[C@@H]2C1)C(C)C ZINC001186615605 1205943241 /nfs/dbraw/zinc/94/32/41/1205943241.db2.gz HMRWBPRIABFDJM-TWMKSMIVSA-N 0 3 398.573 0.548 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1cccc(C)c1 ZINC000775036977 1205943704 /nfs/dbraw/zinc/94/37/04/1205943704.db2.gz ZEGDJXZVKFREDF-OALUTQOASA-N 0 3 388.512 0.917 20 0 GCADHN Cc1nc2ccccc2n1CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000775109409 1205959324 /nfs/dbraw/zinc/95/93/24/1205959324.db2.gz UALLCPMWVYYUOQ-DLBZAZTESA-N 0 3 399.495 0.830 20 0 GCADHN CN1CCC(N(Cc2ccc(F)cc2)C(=O)CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001187519723 1205964285 /nfs/dbraw/zinc/96/42/85/1205964285.db2.gz QQEOCVCLXULGPI-KRWDZBQOSA-N 0 3 390.459 0.643 20 0 GCADHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187519697 1205964410 /nfs/dbraw/zinc/96/44/10/1205964410.db2.gz PMIUORRQXXFOEF-SZMVWBNQSA-N 0 3 386.496 0.750 20 0 GCADHN CN1CCC[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC(=O)N3)C[C@H]21 ZINC001187535154 1205964959 /nfs/dbraw/zinc/96/49/59/1205964959.db2.gz XUWFZFYZLRNUDK-CADBVGFASA-N 0 3 398.507 0.545 20 0 GCADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3n[nH]cc3Cl)CC2)C1=O ZINC001187836305 1205969525 /nfs/dbraw/zinc/96/95/25/1205969525.db2.gz ACMHVNKBDGWELR-UHFFFAOYSA-N 0 3 382.896 0.374 20 0 GCADHN CCCCOC(=O)CNC(=O)N1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001188262556 1205978417 /nfs/dbraw/zinc/97/84/17/1205978417.db2.gz WYTJUZQERGYSKJ-UHFFFAOYSA-N 0 3 379.461 0.564 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C2CCN(S(=O)(=O)CCC(=O)OC)CC2)C1 ZINC001188363834 1205980617 /nfs/dbraw/zinc/98/06/17/1205980617.db2.gz ZUQKDXZXRJODKW-CQSZACIVSA-N 0 3 390.502 0.619 20 0 GCADHN CCN1CCN(Cc2ccc(CNS(=O)(=O)CCC(=O)OC)cc2)CC1 ZINC001188402080 1205982530 /nfs/dbraw/zinc/98/25/30/1205982530.db2.gz CQYQCLMEHRSYIP-UHFFFAOYSA-N 0 3 383.514 0.807 20 0 GCADHN CN(C)CCN1CCN(C)C2(CCN(S(=O)(=O)c3ccoc3)CC2)C1=O ZINC001188585132 1205987919 /nfs/dbraw/zinc/98/79/19/1205987919.db2.gz AYOYDCGPWJBBKV-UHFFFAOYSA-N 0 3 384.502 0.139 20 0 GCADHN COc1cc(C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)c(OC)nn1 ZINC001189082964 1205995832 /nfs/dbraw/zinc/99/58/32/1205995832.db2.gz ZBEDPIYDTNMMJE-UHFFFAOYSA-N 0 3 399.451 0.744 20 0 GCADHN Cc1cc(CN2CC[C@H]3CN(C(=O)CCS(N)(=O)=O)C[C@H]3CC2)n(C)n1 ZINC001273580818 1206004440 /nfs/dbraw/zinc/00/44/40/1206004440.db2.gz IGDLMQIEKQLOCH-GASCZTMLSA-N 0 3 383.518 0.078 20 0 GCADHN NS(=O)(=O)CCC(=O)N1CCC[C@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001273581134 1206006477 /nfs/dbraw/zinc/00/64/77/1206006477.db2.gz UGTQXNJPYPTNLH-QGZVFWFLSA-N 0 3 382.486 0.280 20 0 GCADHN CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1C)C2 ZINC001110410124 1206009340 /nfs/dbraw/zinc/00/93/40/1206009340.db2.gz WSCCCXNDIMQESN-SYQHCUMBSA-N 0 3 376.461 0.596 20 0 GCADHN O=C(Cc1cc[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001110409835 1206009398 /nfs/dbraw/zinc/00/93/98/1206009398.db2.gz NUJJSHUPWWXKRR-AHCXZYCDSA-N 0 3 378.473 0.230 20 0 GCADHN COc1cc(S(N)(=O)=O)cc(C(=O)N2C[C@@H]3CCCN(C)[C@@H]3C2)c1OC ZINC001189558824 1206010552 /nfs/dbraw/zinc/01/05/52/1206010552.db2.gz IBQVZDKECHJTAN-SMDDNHRTSA-N 0 3 383.470 0.517 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)c1occc1Br)C2 ZINC001273585923 1206014461 /nfs/dbraw/zinc/01/44/61/1206014461.db2.gz MAPGYMDPEAARIB-UHFFFAOYSA-N 0 3 386.246 0.657 20 0 GCADHN CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001273586777 1206015114 /nfs/dbraw/zinc/01/51/14/1206015114.db2.gz VZDVCYDZPXSQQZ-LBPRGKRZSA-N 0 3 378.395 0.243 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)c1cnc(-c3ncccn3)nc1)CC2 ZINC001190893531 1206050491 /nfs/dbraw/zinc/05/04/91/1206050491.db2.gz MTARMJOWZPGISX-UHFFFAOYSA-N 0 3 395.467 0.750 20 0 GCADHN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCNC(=O)C12CNC2 ZINC001164413163 718879299 /nfs/dbraw/zinc/87/92/99/718879299.db2.gz CMHUAGCNDLWOLD-UHFFFAOYSA-N 0 3 375.763 0.650 20 0 GCADHN Cc1nc(N2CCCC2)cc(N2CCn3c(CN4CCOCC4)nnc3C2)n1 ZINC001164676324 719570444 /nfs/dbraw/zinc/57/04/44/719570444.db2.gz AWZJFERRDJOTLE-UHFFFAOYSA-N 0 3 384.488 0.829 20 0 GCADHN COc1cc(-n2nc(CN(C)C(C)C)c3c2CNCC3)nc(S(C)(=O)=O)n1 ZINC001164681559 719623895 /nfs/dbraw/zinc/62/38/95/719623895.db2.gz IAJWEJMQXKGPFE-UHFFFAOYSA-N 0 3 394.501 0.560 20 0 GCADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(N5CCN(C)CC5)nn4)C[C@H]3C2)cn1 ZINC001164762682 721080844 /nfs/dbraw/zinc/08/08/44/721080844.db2.gz FFHBNUDWHSDLMH-RBUKOAKNSA-N 0 3 396.543 0.920 20 0 GCADHN c1ncn(-c2cncc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)n1 ZINC001164873600 721158340 /nfs/dbraw/zinc/15/83/40/721158340.db2.gz IXARNDSNYMZGTN-IAGOWNOFSA-N 0 3 378.440 0.932 20 0 GCADHN Cc1nc(CN2CCOC[C@]3(CN(c4cc(CN)ncn4)CCO3)C2)cs1 ZINC001164926867 721826070 /nfs/dbraw/zinc/82/60/70/721826070.db2.gz XPEKTNAYJOWIMA-GOSISDBHSA-N 0 3 390.513 0.808 20 0 GCADHN O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738073916 945180664 /nfs/dbraw/zinc/18/06/64/945180664.db2.gz DBHYCFCKDMDMAX-OAHLLOKOSA-N 0 3 385.476 0.943 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571258869 945366628 /nfs/dbraw/zinc/36/66/28/945366628.db2.gz DGRKSEONLDMPRB-WFASDCNBSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571258869 945366638 /nfs/dbraw/zinc/36/66/38/945366638.db2.gz DGRKSEONLDMPRB-WFASDCNBSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571258869 945366648 /nfs/dbraw/zinc/36/66/48/945366648.db2.gz DGRKSEONLDMPRB-WFASDCNBSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571258869 945366659 /nfs/dbraw/zinc/36/66/59/945366659.db2.gz DGRKSEONLDMPRB-WFASDCNBSA-N 0 3 385.428 0.255 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC001571265161 945501759 /nfs/dbraw/zinc/50/17/59/945501759.db2.gz FIKPBROQHDKEFN-AWEZNQCLSA-N 0 3 385.476 0.710 20 0 GCADHN CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265226 945504837 /nfs/dbraw/zinc/50/48/37/945504837.db2.gz CVGNNUHOWSEHDN-CYBMUJFWSA-N 0 3 385.476 0.568 20 0 GCADHN CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265227 945505074 /nfs/dbraw/zinc/50/50/74/945505074.db2.gz CVGNNUHOWSEHDN-ZDUSSCGKSA-N 0 3 385.476 0.568 20 0 GCADHN CCc1nc(N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571265526 945513250 /nfs/dbraw/zinc/51/32/50/945513250.db2.gz HSSJIZFFRQLOCC-CHWSQXEVSA-N 0 3 385.476 0.574 20 0 GCADHN CCc1nc(N[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571265526 945513253 /nfs/dbraw/zinc/51/32/53/945513253.db2.gz HSSJIZFFRQLOCC-CHWSQXEVSA-N 0 3 385.476 0.574 20 0 GCADHN CN(C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1cncc(-c2nnn[n-]2)n1 ZINC001571265713 945518059 /nfs/dbraw/zinc/51/80/59/945518059.db2.gz IXJAWGSTZBOFCO-UKRRQHHQSA-N 0 3 385.476 0.568 20 0 GCADHN CN(C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)c1cncc(-c2nnn[n-]2)n1 ZINC001571265713 945518067 /nfs/dbraw/zinc/51/80/67/945518067.db2.gz IXJAWGSTZBOFCO-UKRRQHHQSA-N 0 3 385.476 0.568 20 0 GCADHN CC1CC[NH+](CC(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571265736 945518570 /nfs/dbraw/zinc/51/85/70/945518570.db2.gz JHFPCNBMXRNRFG-AWEZNQCLSA-N 0 3 385.476 0.426 20 0 GCADHN CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)[NH+](C)C ZINC001571265909 945525096 /nfs/dbraw/zinc/52/50/96/945525096.db2.gz KRZGKAPLUXPIDV-RBSFLKMASA-N 0 3 385.476 0.567 20 0 GCADHN CCc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)cc(-c2nnn[n-]2)n1 ZINC001571265977 945526519 /nfs/dbraw/zinc/52/65/19/945526519.db2.gz MDOSTMGFMQLYJT-TZMCWYRMSA-N 0 3 385.476 0.716 20 0 GCADHN CCc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)cc(-c2nnn[n-]2)n1 ZINC001571265977 945526522 /nfs/dbraw/zinc/52/65/22/945526522.db2.gz MDOSTMGFMQLYJT-TZMCWYRMSA-N 0 3 385.476 0.716 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC001571266127 945530663 /nfs/dbraw/zinc/53/06/63/945530663.db2.gz WXDNYUPYPMXJJN-UHFFFAOYSA-N 0 3 385.476 0.711 20 0 GCADHN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266200 945533146 /nfs/dbraw/zinc/53/31/46/945533146.db2.gz NMOUFZJCFLZNGI-HIFRSBDPSA-N 0 3 385.476 0.934 20 0 GCADHN CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266200 945533152 /nfs/dbraw/zinc/53/31/52/945533152.db2.gz NMOUFZJCFLZNGI-HIFRSBDPSA-N 0 3 385.476 0.934 20 0 GCADHN CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)[NH+](C)C ZINC001571266409 945541135 /nfs/dbraw/zinc/54/11/35/945541135.db2.gz QEQSKJGEXFMFGW-DVOMOZLQSA-N 0 3 385.476 0.423 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571266428 945543021 /nfs/dbraw/zinc/54/30/21/945543021.db2.gz QOGCIORGOGAFNN-ZBFHGGJFSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571266428 945543044 /nfs/dbraw/zinc/54/30/44/945543044.db2.gz QOGCIORGOGAFNN-ZBFHGGJFSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571266428 945543049 /nfs/dbraw/zinc/54/30/49/945543049.db2.gz QOGCIORGOGAFNN-ZBFHGGJFSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571266428 945543053 /nfs/dbraw/zinc/54/30/53/945543053.db2.gz QOGCIORGOGAFNN-ZBFHGGJFSA-N 0 3 385.472 0.940 20 0 GCADHN CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266598 945547817 /nfs/dbraw/zinc/54/78/17/945547817.db2.gz VETARTOKAKFEPU-DZGCQCFKSA-N 0 3 385.476 0.790 20 0 GCADHN CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266598 945547823 /nfs/dbraw/zinc/54/78/23/945547823.db2.gz VETARTOKAKFEPU-DZGCQCFKSA-N 0 3 385.476 0.790 20 0 GCADHN CC(C)[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001571266716 945549809 /nfs/dbraw/zinc/54/98/09/945549809.db2.gz XWHKNSFCQYOPHH-XJKSGUPXSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@H]1CN(C(=O)c2cnon2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001571267089 945562089 /nfs/dbraw/zinc/56/20/89/945562089.db2.gz IZGJKEWTRMMJMW-GWCFXTLKSA-N 0 3 386.391 0.887 20 0 GCADHN C[C@H]1CN(C(=O)c2cnon2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001571267089 945562093 /nfs/dbraw/zinc/56/20/93/945562093.db2.gz IZGJKEWTRMMJMW-GWCFXTLKSA-N 0 3 386.391 0.887 20 0 GCADHN O=C(c1ncc[nH]1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571268300 945592411 /nfs/dbraw/zinc/59/24/11/945592411.db2.gz QYLGJNSAEFHVBF-GFCCVEGCSA-N 0 3 386.391 0.360 20 0 GCADHN Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)[nH]c1=O ZINC001571268638 945600580 /nfs/dbraw/zinc/60/05/80/945600580.db2.gz VLSOHCHXKUEXLO-PHIMTYICSA-N 0 3 386.391 0.496 20 0 GCADHN O=C(c1cn[nH]c1)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571268704 945602118 /nfs/dbraw/zinc/60/21/18/945602118.db2.gz XAHQLNMBZVFANC-ZDUSSCGKSA-N 0 3 386.391 0.360 20 0 GCADHN O=C(c1cn[nH]c1)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571268704 945602122 /nfs/dbraw/zinc/60/21/22/945602122.db2.gz XAHQLNMBZVFANC-ZDUSSCGKSA-N 0 3 386.391 0.360 20 0 GCADHN O=C(N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F)C12CC[NH+](CC1)C2 ZINC001571268952 945607864 /nfs/dbraw/zinc/60/78/64/945607864.db2.gz LKPYYXFIXMULGR-CYBMUJFWSA-N 0 3 386.435 0.900 20 0 GCADHN O=C(N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F)C12CC[NH+](CC1)C2 ZINC001571268952 945607865 /nfs/dbraw/zinc/60/78/65/945607865.db2.gz LKPYYXFIXMULGR-CYBMUJFWSA-N 0 3 386.435 0.900 20 0 GCADHN Cc1cc(NC[C@H]2CCCN2C(=O)c2csc(=O)[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571270018 945629477 /nfs/dbraw/zinc/62/94/77/945629477.db2.gz KQZPYVHIQFZNPI-SNVBAGLBSA-N 0 3 386.441 0.871 20 0 GCADHN O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)N1CCCCC1 ZINC001571272592 945665522 /nfs/dbraw/zinc/66/55/22/945665522.db2.gz FRLXOIBYIQBNRG-MQMHXKEQSA-N 0 3 386.460 0.305 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)NC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571272831 945671149 /nfs/dbraw/zinc/67/11/49/945671149.db2.gz JEOPOSBBCDBRTC-PNESKVBLSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)NC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571272831 945671157 /nfs/dbraw/zinc/67/11/57/945671157.db2.gz JEOPOSBBCDBRTC-PNESKVBLSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)NC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571272831 945671164 /nfs/dbraw/zinc/67/11/64/945671164.db2.gz JEOPOSBBCDBRTC-PNESKVBLSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)NC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571272831 945671172 /nfs/dbraw/zinc/67/11/72/945671172.db2.gz JEOPOSBBCDBRTC-PNESKVBLSA-N 0 3 386.460 0.161 20 0 GCADHN O=C(N[C@@H]1CCC[N@H+](C[C@H]2CCNC(=O)CC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272862 945673238 /nfs/dbraw/zinc/67/32/38/945673238.db2.gz JOMFMSABVCANAI-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@@H]1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272862 945673244 /nfs/dbraw/zinc/67/32/44/945673244.db2.gz JOMFMSABVCANAI-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@@H]1CCC[N@H+](C[C@H]2CCNC(=O)CC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272862 945673249 /nfs/dbraw/zinc/67/32/49/945673249.db2.gz JOMFMSABVCANAI-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@@H]1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272862 945673255 /nfs/dbraw/zinc/67/32/55/945673255.db2.gz JOMFMSABVCANAI-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN CN(C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)C1CC[NH+](C)CC1 ZINC001571272968 945675301 /nfs/dbraw/zinc/67/53/01/945675301.db2.gz LXIQDRWPVWINOR-CQSZACIVSA-N 0 3 386.460 0.210 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821350987 945676948 /nfs/dbraw/zinc/67/69/48/945676948.db2.gz IICATHCOHYZEPD-LBPRGKRZSA-N 0 3 393.423 0.417 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821350987 945676952 /nfs/dbraw/zinc/67/69/52/945676952.db2.gz IICATHCOHYZEPD-LBPRGKRZSA-N 0 3 393.423 0.417 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001571273016 945677393 /nfs/dbraw/zinc/67/73/93/945677393.db2.gz NCHJJCMILCYHSE-DYEKYZERSA-N 0 3 386.460 0.256 20 0 GCADHN O=C(N[C@@H]1CCC[N@H+](C[C@H]2CCNC(=O)CC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571273236 945682409 /nfs/dbraw/zinc/68/24/09/945682409.db2.gz TUMWWBRAJDTHIA-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@@H]1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571273236 945682412 /nfs/dbraw/zinc/68/24/12/945682412.db2.gz TUMWWBRAJDTHIA-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@@H]1CCC[N@H+](C[C@H]2CCNC(=O)CC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571273236 945682419 /nfs/dbraw/zinc/68/24/19/945682419.db2.gz TUMWWBRAJDTHIA-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@@H]1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571273236 945682426 /nfs/dbraw/zinc/68/24/26/945682426.db2.gz TUMWWBRAJDTHIA-TZMCWYRMSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273367 945685204 /nfs/dbraw/zinc/68/52/04/945685204.db2.gz WKQQTXAHSAVOJY-TYNCELHUSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273367 945685209 /nfs/dbraw/zinc/68/52/09/945685209.db2.gz WKQQTXAHSAVOJY-TYNCELHUSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273367 945685212 /nfs/dbraw/zinc/68/52/12/945685212.db2.gz WKQQTXAHSAVOJY-TYNCELHUSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H]1C[N@@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273367 945685218 /nfs/dbraw/zinc/68/52/18/945685218.db2.gz WKQQTXAHSAVOJY-TYNCELHUSA-N 0 3 386.460 0.161 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[N@H+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC001571273540 945689636 /nfs/dbraw/zinc/68/96/36/945689636.db2.gz ZLDSGMVUPQRORA-ZDUSSCGKSA-N 0 3 386.460 0.259 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[N@@H+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC001571273540 945689641 /nfs/dbraw/zinc/68/96/41/945689641.db2.gz ZLDSGMVUPQRORA-ZDUSSCGKSA-N 0 3 386.460 0.259 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCC1 ZINC001571275670 945712155 /nfs/dbraw/zinc/71/21/55/945712155.db2.gz AGDWAVQNUHVKNJ-CYBMUJFWSA-N 0 3 386.460 0.400 20 0 GCADHN O=C(CC1(O)CCC1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571275782 945716429 /nfs/dbraw/zinc/71/64/29/945716429.db2.gz CDWJVBHCXQFQGM-MRXNPFEDSA-N 0 3 386.456 0.489 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001571275862 945718366 /nfs/dbraw/zinc/71/83/66/945718366.db2.gz DKOKZCQBKJGEHH-DNVCBOLYSA-N 0 3 386.456 0.992 20 0 GCADHN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001571276147 945726142 /nfs/dbraw/zinc/72/61/42/945726142.db2.gz IABAMCSLSJNHMG-KRWDZBQOSA-N 0 3 386.456 0.705 20 0 GCADHN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001571276147 945726156 /nfs/dbraw/zinc/72/61/56/945726156.db2.gz IABAMCSLSJNHMG-KRWDZBQOSA-N 0 3 386.456 0.705 20 0 GCADHN C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001571276147 945726166 /nfs/dbraw/zinc/72/61/66/945726166.db2.gz IABAMCSLSJNHMG-KRWDZBQOSA-N 0 3 386.456 0.705 20 0 GCADHN C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001571276147 945726171 /nfs/dbraw/zinc/72/61/71/945726171.db2.gz IABAMCSLSJNHMG-KRWDZBQOSA-N 0 3 386.456 0.705 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571276246 945728663 /nfs/dbraw/zinc/72/86/63/945728663.db2.gz GBRZUWLUCWKGCZ-UPJWGTAASA-N 0 3 387.419 0.065 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571276246 945728666 /nfs/dbraw/zinc/72/86/66/945728666.db2.gz GBRZUWLUCWKGCZ-UPJWGTAASA-N 0 3 387.419 0.065 20 0 GCADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571276312 945730610 /nfs/dbraw/zinc/73/06/10/945730610.db2.gz HHJIPOVSIXVPFF-IUODEOHRSA-N 0 3 387.419 0.365 20 0 GCADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571276312 945730615 /nfs/dbraw/zinc/73/06/15/945730615.db2.gz HHJIPOVSIXVPFF-IUODEOHRSA-N 0 3 387.419 0.365 20 0 GCADHN C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571276563 945733076 /nfs/dbraw/zinc/73/30/76/945733076.db2.gz INZKAFDRBUJZEM-CZUORRHYSA-N 0 3 386.456 0.956 20 0 GCADHN C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571276563 945733083 /nfs/dbraw/zinc/73/30/83/945733083.db2.gz INZKAFDRBUJZEM-CZUORRHYSA-N 0 3 386.456 0.956 20 0 GCADHN O=C(C[C@@H]1CCCO1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571276631 945734863 /nfs/dbraw/zinc/73/48/63/945734863.db2.gz JWLRXXDSUUTXKQ-JKSUJKDBSA-N 0 3 386.456 0.753 20 0 GCADHN O=C(C[C@@H]1CCCO1)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571276631 945734870 /nfs/dbraw/zinc/73/48/70/945734870.db2.gz JWLRXXDSUUTXKQ-JKSUJKDBSA-N 0 3 386.456 0.753 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)CCO2)cc1-c1nnn[n-]1 ZINC001571277454 945743285 /nfs/dbraw/zinc/74/32/85/945743285.db2.gz KNKHCRVCZMRJKU-CFVMTHIKSA-N 0 3 386.456 0.848 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)CCO2)cc1-c1nn[n-]n1 ZINC001571277454 945743290 /nfs/dbraw/zinc/74/32/90/945743290.db2.gz KNKHCRVCZMRJKU-CFVMTHIKSA-N 0 3 386.456 0.848 20 0 GCADHN O=C(NC[C@@H]1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1COCCO1 ZINC001571278401 945750740 /nfs/dbraw/zinc/75/07/40/945750740.db2.gz NAWBHGIJZWMIAY-IRXDYDNUSA-N 0 3 386.456 0.753 20 0 GCADHN O=C(C1CCOCC1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571278688 945758257 /nfs/dbraw/zinc/75/82/57/945758257.db2.gz QZEDIGZENDAFLL-KRWDZBQOSA-N 0 3 386.456 0.610 20 0 GCADHN O=C(C1CCOCC1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571278688 945758263 /nfs/dbraw/zinc/75/82/63/945758263.db2.gz QZEDIGZENDAFLL-KRWDZBQOSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@]1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001571278680 945758350 /nfs/dbraw/zinc/75/83/50/945758350.db2.gz QQHLRQVGHGYQDX-SGTLLEGYSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@]1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001571278680 945758358 /nfs/dbraw/zinc/75/83/58/945758358.db2.gz QQHLRQVGHGYQDX-SGTLLEGYSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@]1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001571278680 945758381 /nfs/dbraw/zinc/75/83/81/945758381.db2.gz QQHLRQVGHGYQDX-SGTLLEGYSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@]1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001571278680 945758388 /nfs/dbraw/zinc/75/83/88/945758388.db2.gz QQHLRQVGHGYQDX-SGTLLEGYSA-N 0 3 386.460 0.305 20 0 GCADHN O=C([C@H]1COCCO1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571278958 945765428 /nfs/dbraw/zinc/76/54/28/945765428.db2.gz SQKYYTWXHHXDEN-IAGOWNOFSA-N 0 3 386.456 0.753 20 0 GCADHN O=C([C@H]1COCCO1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571278958 945765432 /nfs/dbraw/zinc/76/54/32/945765432.db2.gz SQKYYTWXHHXDEN-IAGOWNOFSA-N 0 3 386.456 0.753 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573449088 945812113 /nfs/dbraw/zinc/81/21/13/945812113.db2.gz ROEVAXSANMZCMG-BDJLRTHQSA-N 0 3 389.435 0.611 20 0 GCADHN CC(C)[C@@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)[NH+](C)C ZINC001571284348 945900565 /nfs/dbraw/zinc/90/05/65/945900565.db2.gz OCLXEKBIAFHLKO-ZFWWWQNUSA-N 0 3 387.492 0.892 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573458883 945910192 /nfs/dbraw/zinc/91/01/92/945910192.db2.gz AQTBOEYTZDKHNP-CYBMUJFWSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571285709 945925426 /nfs/dbraw/zinc/92/54/26/945925426.db2.gz MDPWOKZDASIKAS-ABAIWWIYSA-N 0 3 388.403 0.831 20 0 GCADHN C[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571285709 945925432 /nfs/dbraw/zinc/92/54/32/945925432.db2.gz MDPWOKZDASIKAS-ABAIWWIYSA-N 0 3 388.403 0.831 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573462037 945930556 /nfs/dbraw/zinc/93/05/56/945930556.db2.gz WSUYEXYEEPAEFD-MRXNPFEDSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573462037 945930562 /nfs/dbraw/zinc/93/05/62/945930562.db2.gz WSUYEXYEEPAEFD-MRXNPFEDSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573462176 945933075 /nfs/dbraw/zinc/93/30/75/945933075.db2.gz BLPRQLDZYZGWIU-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573462176 945933081 /nfs/dbraw/zinc/93/30/81/945933081.db2.gz BLPRQLDZYZGWIU-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573462214 945934408 /nfs/dbraw/zinc/93/44/08/945934408.db2.gz CPXVFIGIGIRDAS-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573462214 945934414 /nfs/dbraw/zinc/93/44/14/945934414.db2.gz CPXVFIGIGIRDAS-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573462214 945934422 /nfs/dbraw/zinc/93/44/22/945934422.db2.gz CPXVFIGIGIRDAS-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573462214 945934431 /nfs/dbraw/zinc/93/44/31/945934431.db2.gz CPXVFIGIGIRDAS-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001573462884 945947894 /nfs/dbraw/zinc/94/78/94/945947894.db2.gz NZAODFHQQOESSW-UHFFFAOYSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001573462884 945947899 /nfs/dbraw/zinc/94/78/99/945947899.db2.gz NZAODFHQQOESSW-UHFFFAOYSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573463156 945951325 /nfs/dbraw/zinc/95/13/25/945951325.db2.gz RQAWXXZFYVVMQV-JTQLQIEISA-N 0 3 377.424 0.515 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000822145774 945967249 /nfs/dbraw/zinc/96/72/49/945967249.db2.gz TUSAQXKUBGVKLO-UHFFFAOYSA-N 0 3 394.501 0.906 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000822145774 945967254 /nfs/dbraw/zinc/96/72/54/945967254.db2.gz TUSAQXKUBGVKLO-UHFFFAOYSA-N 0 3 394.501 0.906 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573464590 945968869 /nfs/dbraw/zinc/96/88/69/945968869.db2.gz OHMAIGYSIXCOQD-JTQLQIEISA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573467424 945978784 /nfs/dbraw/zinc/97/87/84/945978784.db2.gz DPKTZKRUUINRIP-SJCJKPOMSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573467424 945978795 /nfs/dbraw/zinc/97/87/95/945978795.db2.gz DPKTZKRUUINRIP-SJCJKPOMSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573467747 945983817 /nfs/dbraw/zinc/98/38/17/945983817.db2.gz GYIWIMIXLBRZSH-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573467925 945986746 /nfs/dbraw/zinc/98/67/46/945986746.db2.gz JHFKVLREVMFDKI-SJKOYZFVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573467925 945986749 /nfs/dbraw/zinc/98/67/49/945986749.db2.gz JHFKVLREVMFDKI-SJKOYZFVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573469221 946002112 /nfs/dbraw/zinc/00/21/12/946002112.db2.gz SZBCICNZHLEDGE-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573469221 946002122 /nfs/dbraw/zinc/00/21/22/946002122.db2.gz SZBCICNZHLEDGE-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573469220 946004185 /nfs/dbraw/zinc/00/41/85/946004185.db2.gz SZBCICNZHLEDGE-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573469220 946004196 /nfs/dbraw/zinc/00/41/96/946004196.db2.gz SZBCICNZHLEDGE-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573469896 946010400 /nfs/dbraw/zinc/01/04/00/946010400.db2.gz AAIOHYUOOIVLSU-NHYWBVRUSA-N 0 3 389.435 0.611 20 0 GCADHN CC[C@@H](OC)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571289696 946014008 /nfs/dbraw/zinc/01/40/08/946014008.db2.gz KOCSGSOLIHMWCI-DLBZAZTESA-N 0 3 388.472 0.999 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470305 946020168 /nfs/dbraw/zinc/02/01/68/946020168.db2.gz CNWKZETWFRMYMX-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573470305 946020176 /nfs/dbraw/zinc/02/01/76/946020176.db2.gz CNWKZETWFRMYMX-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470307 946020348 /nfs/dbraw/zinc/02/03/48/946020348.db2.gz CNWKZETWFRMYMX-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573470307 946020358 /nfs/dbraw/zinc/02/03/58/946020358.db2.gz CNWKZETWFRMYMX-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+](C)C ZINC001571289814 946020325 /nfs/dbraw/zinc/02/03/25/946020325.db2.gz NAOUZXLPAHLXHR-ZFWWWQNUSA-N 0 3 388.476 0.502 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573470338 946021440 /nfs/dbraw/zinc/02/14/40/946021440.db2.gz CXBBUGPBRGPUSN-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573470338 946021446 /nfs/dbraw/zinc/02/14/46/946021446.db2.gz CXBBUGPBRGPUSN-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN CC(C)(O)CC(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571289928 946023209 /nfs/dbraw/zinc/02/32/09/946023209.db2.gz QAMKPBZQGVGJIC-MRXNPFEDSA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+](C)C ZINC001571290107 946028058 /nfs/dbraw/zinc/02/80/58/946028058.db2.gz VMCLDDDZQBHWOR-DZGCQCFKSA-N 0 3 388.476 0.502 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573471211 946045159 /nfs/dbraw/zinc/04/51/59/946045159.db2.gz NERPMBUGIPSQJB-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573471211 946045170 /nfs/dbraw/zinc/04/51/70/946045170.db2.gz NERPMBUGIPSQJB-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573471230 946047042 /nfs/dbraw/zinc/04/70/42/946047042.db2.gz NHSREHHXWAOKKM-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573471230 946047056 /nfs/dbraw/zinc/04/70/56/946047056.db2.gz NHSREHHXWAOKKM-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573471236 946047137 /nfs/dbraw/zinc/04/71/37/946047137.db2.gz NIXZAOIUTDIEKJ-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573471236 946047147 /nfs/dbraw/zinc/04/71/47/946047147.db2.gz NIXZAOIUTDIEKJ-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573471236 946047161 /nfs/dbraw/zinc/04/71/61/946047161.db2.gz NIXZAOIUTDIEKJ-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573471236 946047173 /nfs/dbraw/zinc/04/71/73/946047173.db2.gz NIXZAOIUTDIEKJ-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472388 946063971 /nfs/dbraw/zinc/06/39/71/946063971.db2.gz VZOBAXFNTHWVMF-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472388 946063982 /nfs/dbraw/zinc/06/39/82/946063982.db2.gz VZOBAXFNTHWVMF-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CCC[C@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001571291081 946066178 /nfs/dbraw/zinc/06/61/78/946066178.db2.gz ANEWIXHNKSXISU-JSGCOSHPSA-N 0 3 389.391 0.195 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CCC[C@@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001571291083 946066893 /nfs/dbraw/zinc/06/68/93/946066893.db2.gz ANEWIXHNKSXISU-TZMCWYRMSA-N 0 3 389.391 0.195 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573473951 946086998 /nfs/dbraw/zinc/08/69/98/946086998.db2.gz HIFMJKXIRSQFOY-OHUAYANFSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573475127 946098819 /nfs/dbraw/zinc/09/88/19/946098819.db2.gz PUSOXACXFDIIJA-GLKRBJQHSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573475127 946098830 /nfs/dbraw/zinc/09/88/30/946098830.db2.gz PUSOXACXFDIIJA-GLKRBJQHSA-N 0 3 389.435 0.467 20 0 GCADHN CCOC1CC(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)C1 ZINC001571293440 946106508 /nfs/dbraw/zinc/10/65/08/946106508.db2.gz INVPCVOQWRAIEQ-PESDSKBTSA-N 0 3 389.460 0.441 20 0 GCADHN CCOC1CC(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)C1 ZINC001571293440 946106513 /nfs/dbraw/zinc/10/65/13/946106513.db2.gz INVPCVOQWRAIEQ-PESDSKBTSA-N 0 3 389.460 0.441 20 0 GCADHN CCOC1CC(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)C1 ZINC001571293441 946106626 /nfs/dbraw/zinc/10/66/26/946106626.db2.gz INVPCVOQWRAIEQ-ZALBZXLWSA-N 0 3 389.460 0.441 20 0 GCADHN CCOC1CC(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)C1 ZINC001571293441 946106631 /nfs/dbraw/zinc/10/66/31/946106631.db2.gz INVPCVOQWRAIEQ-ZALBZXLWSA-N 0 3 389.460 0.441 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573475801 946107629 /nfs/dbraw/zinc/10/76/29/946107629.db2.gz AZOGNMPKUYMFFU-BBRMVZONSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573475801 946107636 /nfs/dbraw/zinc/10/76/36/946107636.db2.gz AZOGNMPKUYMFFU-BBRMVZONSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573475801 946107648 /nfs/dbraw/zinc/10/76/48/946107648.db2.gz AZOGNMPKUYMFFU-BBRMVZONSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573475801 946107653 /nfs/dbraw/zinc/10/76/53/946107653.db2.gz AZOGNMPKUYMFFU-BBRMVZONSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573476180 946113606 /nfs/dbraw/zinc/11/36/06/946113606.db2.gz DAMPSGFZDUVITA-VLRKGOCCSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001573476200 946116985 /nfs/dbraw/zinc/11/69/85/946116985.db2.gz DKBFIEMURBWCEC-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001573476200 946116988 /nfs/dbraw/zinc/11/69/88/946116988.db2.gz DKBFIEMURBWCEC-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573476840 946126260 /nfs/dbraw/zinc/12/62/60/946126260.db2.gz JQFMUDABHKHEBF-CDEQTRAXSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573476840 946126271 /nfs/dbraw/zinc/12/62/71/946126271.db2.gz JQFMUDABHKHEBF-CDEQTRAXSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477360 946133701 /nfs/dbraw/zinc/13/37/01/946133701.db2.gz PDDRXRSVZUPLNK-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477360 946133707 /nfs/dbraw/zinc/13/37/07/946133707.db2.gz PDDRXRSVZUPLNK-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477357 946134406 /nfs/dbraw/zinc/13/44/06/946134406.db2.gz PDDRXRSVZUPLNK-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477357 946134408 /nfs/dbraw/zinc/13/44/08/946134408.db2.gz PDDRXRSVZUPLNK-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573478103 946145738 /nfs/dbraw/zinc/14/57/38/946145738.db2.gz VISOQLAPQQASQP-QLJPJBMISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573478103 946145743 /nfs/dbraw/zinc/14/57/43/946145743.db2.gz VISOQLAPQQASQP-QLJPJBMISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573478603 946151059 /nfs/dbraw/zinc/15/10/59/946151059.db2.gz XRKQKUHSSILEHN-HWPZZCPQSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573479581 946163099 /nfs/dbraw/zinc/16/30/99/946163099.db2.gz FMVWRFOSPCMLKS-VLRKGOCCSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573479581 946163106 /nfs/dbraw/zinc/16/31/06/946163106.db2.gz FMVWRFOSPCMLKS-VLRKGOCCSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573479580 946163766 /nfs/dbraw/zinc/16/37/66/946163766.db2.gz FMVWRFOSPCMLKS-CKQAKLJMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573479580 946163774 /nfs/dbraw/zinc/16/37/74/946163774.db2.gz FMVWRFOSPCMLKS-CKQAKLJMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479817 946167291 /nfs/dbraw/zinc/16/72/91/946167291.db2.gz HRFJNHOFXSHVOW-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479817 946167297 /nfs/dbraw/zinc/16/72/97/946167297.db2.gz HRFJNHOFXSHVOW-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479817 946167314 /nfs/dbraw/zinc/16/73/14/946167314.db2.gz HRFJNHOFXSHVOW-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479817 946167323 /nfs/dbraw/zinc/16/73/23/946167323.db2.gz HRFJNHOFXSHVOW-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573480272 946173141 /nfs/dbraw/zinc/17/31/41/946173141.db2.gz KEMQVDGUTKCOES-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573480272 946173147 /nfs/dbraw/zinc/17/31/47/946173147.db2.gz KEMQVDGUTKCOES-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573480272 946173151 /nfs/dbraw/zinc/17/31/51/946173151.db2.gz KEMQVDGUTKCOES-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573480272 946173154 /nfs/dbraw/zinc/17/31/54/946173154.db2.gz KEMQVDGUTKCOES-AHBIMHKDSA-N 0 3 383.456 0.185 20 0 GCADHN O=C([C@@H]1COCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571295795 946175088 /nfs/dbraw/zinc/17/50/88/946175088.db2.gz GGDIMCUMWNKARG-LRDDRELGSA-N 0 3 390.419 0.359 20 0 GCADHN O=C([C@@H]1COCCO1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571295795 946175097 /nfs/dbraw/zinc/17/50/97/946175097.db2.gz GGDIMCUMWNKARG-LRDDRELGSA-N 0 3 390.419 0.359 20 0 GCADHN O=C([C@H]1COCCO1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571295796 946175176 /nfs/dbraw/zinc/17/51/76/946175176.db2.gz GGDIMCUMWNKARG-MLGOLLRUSA-N 0 3 390.419 0.359 20 0 GCADHN O=C([C@H]1COCCO1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571295796 946175190 /nfs/dbraw/zinc/17/51/90/946175190.db2.gz GGDIMCUMWNKARG-MLGOLLRUSA-N 0 3 390.419 0.359 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573481049 946180611 /nfs/dbraw/zinc/18/06/11/946180611.db2.gz NQLWDWMANYXWBG-QFYYESIMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573481049 946180615 /nfs/dbraw/zinc/18/06/15/946180615.db2.gz NQLWDWMANYXWBG-QFYYESIMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573481382 946181577 /nfs/dbraw/zinc/18/15/77/946181577.db2.gz ORMVUFWJRPNMGU-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573481382 946181582 /nfs/dbraw/zinc/18/15/82/946181582.db2.gz ORMVUFWJRPNMGU-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573481853 946187866 /nfs/dbraw/zinc/18/78/66/946187866.db2.gz SCGNWHUBILSTCI-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573481853 946187869 /nfs/dbraw/zinc/18/78/69/946187869.db2.gz SCGNWHUBILSTCI-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573483686 946211400 /nfs/dbraw/zinc/21/14/00/946211400.db2.gz GXHMEPAOTPUAJC-YLQAJVPDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573483686 946211413 /nfs/dbraw/zinc/21/14/13/946211413.db2.gz GXHMEPAOTPUAJC-YLQAJVPDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573484973 946221007 /nfs/dbraw/zinc/22/10/07/946221007.db2.gz OPEYILOWKDUUCA-IIYDPXPESA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573484973 946221019 /nfs/dbraw/zinc/22/10/19/946221019.db2.gz OPEYILOWKDUUCA-IIYDPXPESA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573484973 946221030 /nfs/dbraw/zinc/22/10/30/946221030.db2.gz OPEYILOWKDUUCA-IIYDPXPESA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573484973 946221044 /nfs/dbraw/zinc/22/10/44/946221044.db2.gz OPEYILOWKDUUCA-IIYDPXPESA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573485725 946232339 /nfs/dbraw/zinc/23/23/39/946232339.db2.gz XNXXKTIBSMVRGA-LEWSCRJBSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573485725 946232349 /nfs/dbraw/zinc/23/23/49/946232349.db2.gz XNXXKTIBSMVRGA-LEWSCRJBSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573487647 946256114 /nfs/dbraw/zinc/25/61/14/946256114.db2.gz QQCQFTHLRSEJAM-OASPWFOLSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573487647 946256127 /nfs/dbraw/zinc/25/61/27/946256127.db2.gz QQCQFTHLRSEJAM-OASPWFOLSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)NC1(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001573489034 946284290 /nfs/dbraw/zinc/28/42/90/946284290.db2.gz UZIJWZBLMFGYSL-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001573489034 946284298 /nfs/dbraw/zinc/28/42/98/946284298.db2.gz UZIJWZBLMFGYSL-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573497534 946352701 /nfs/dbraw/zinc/35/27/01/946352701.db2.gz RUMIQKUJAOCVBB-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573497534 946352716 /nfs/dbraw/zinc/35/27/16/946352716.db2.gz RUMIQKUJAOCVBB-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573502053 946385160 /nfs/dbraw/zinc/38/51/60/946385160.db2.gz UVJFHBWTRRLDCN-HNNXBMFYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573502053 946385170 /nfs/dbraw/zinc/38/51/70/946385170.db2.gz UVJFHBWTRRLDCN-HNNXBMFYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573503707 946396162 /nfs/dbraw/zinc/39/61/62/946396162.db2.gz CBWMOESLYNWIAY-SFHVURJKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573503707 946396168 /nfs/dbraw/zinc/39/61/68/946396168.db2.gz CBWMOESLYNWIAY-SFHVURJKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573503931 946401540 /nfs/dbraw/zinc/40/15/40/946401540.db2.gz CWSJFJNDSFPAGO-MEDUHNTESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573503931 946401549 /nfs/dbraw/zinc/40/15/49/946401549.db2.gz CWSJFJNDSFPAGO-MEDUHNTESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573503952 946401693 /nfs/dbraw/zinc/40/16/93/946401693.db2.gz DCBSOZNHEVITLP-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573503952 946401699 /nfs/dbraw/zinc/40/16/99/946401699.db2.gz DCBSOZNHEVITLP-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573503952 946401709 /nfs/dbraw/zinc/40/17/09/946401709.db2.gz DCBSOZNHEVITLP-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573503952 946401716 /nfs/dbraw/zinc/40/17/16/946401716.db2.gz DCBSOZNHEVITLP-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@H]1C ZINC001573504196 946408517 /nfs/dbraw/zinc/40/85/17/946408517.db2.gz HGHRJGXFRDYZNM-MEBBXXQBSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@H]1C ZINC001573504196 946408521 /nfs/dbraw/zinc/40/85/21/946408521.db2.gz HGHRJGXFRDYZNM-MEBBXXQBSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@H]1C ZINC001573504188 946409045 /nfs/dbraw/zinc/40/90/45/946409045.db2.gz HGHRJGXFRDYZNM-BMIGLBTASA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@H]1C ZINC001573504188 946409055 /nfs/dbraw/zinc/40/90/55/946409055.db2.gz HGHRJGXFRDYZNM-BMIGLBTASA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573505600 946421224 /nfs/dbraw/zinc/42/12/24/946421224.db2.gz LTYKEIOAWQGJND-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573505600 946421233 /nfs/dbraw/zinc/42/12/33/946421233.db2.gz LTYKEIOAWQGJND-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573505584 946421247 /nfs/dbraw/zinc/42/12/47/946421247.db2.gz LADGNAGKFQONBI-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573505584 946421253 /nfs/dbraw/zinc/42/12/53/946421253.db2.gz LADGNAGKFQONBI-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573505584 946421255 /nfs/dbraw/zinc/42/12/55/946421255.db2.gz LADGNAGKFQONBI-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573505584 946421262 /nfs/dbraw/zinc/42/12/62/946421262.db2.gz LADGNAGKFQONBI-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505590 946422463 /nfs/dbraw/zinc/42/24/63/946422463.db2.gz LKRSNBVETSPWBF-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505590 946422469 /nfs/dbraw/zinc/42/24/69/946422469.db2.gz LKRSNBVETSPWBF-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573505666 946423506 /nfs/dbraw/zinc/42/35/06/946423506.db2.gz MTADPDFEEHHHHL-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573505666 946423514 /nfs/dbraw/zinc/42/35/14/946423514.db2.gz MTADPDFEEHHHHL-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573505993 946427661 /nfs/dbraw/zinc/42/76/61/946427661.db2.gz NGYVDLNOZHINRO-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573505993 946427667 /nfs/dbraw/zinc/42/76/67/946427667.db2.gz NGYVDLNOZHINRO-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573505993 946427675 /nfs/dbraw/zinc/42/76/75/946427675.db2.gz NGYVDLNOZHINRO-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573505993 946427681 /nfs/dbraw/zinc/42/76/81/946427681.db2.gz NGYVDLNOZHINRO-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573506021 946428788 /nfs/dbraw/zinc/42/87/88/946428788.db2.gz NVWAGGXMQVFJNA-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573506021 946428795 /nfs/dbraw/zinc/42/87/95/946428795.db2.gz NVWAGGXMQVFJNA-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573506021 946428797 /nfs/dbraw/zinc/42/87/97/946428797.db2.gz NVWAGGXMQVFJNA-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573506021 946428804 /nfs/dbraw/zinc/42/88/04/946428804.db2.gz NVWAGGXMQVFJNA-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@H]1C ZINC001573506336 946430797 /nfs/dbraw/zinc/43/07/97/946430797.db2.gz QXYASKBQMMAZOO-BMIGLBTASA-N 0 3 375.408 0.221 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC001571310013 946459706 /nfs/dbraw/zinc/45/97/06/946459706.db2.gz RXBKZKDNXAABAO-OAHLLOKOSA-N 0 3 392.423 0.365 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC001571310013 946459714 /nfs/dbraw/zinc/45/97/14/946459714.db2.gz RXBKZKDNXAABAO-OAHLLOKOSA-N 0 3 392.423 0.365 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573509200 946460073 /nfs/dbraw/zinc/46/00/73/946460073.db2.gz GVTIYAYXGAGOMX-CQSZACIVSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573509200 946460080 /nfs/dbraw/zinc/46/00/80/946460080.db2.gz GVTIYAYXGAGOMX-CQSZACIVSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573509765 946466722 /nfs/dbraw/zinc/46/67/22/946466722.db2.gz QIYJLSUDMUUDAP-INIZCTEOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573509765 946466728 /nfs/dbraw/zinc/46/67/28/946466728.db2.gz QIYJLSUDMUUDAP-INIZCTEOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)CC(C)C ZINC001573510690 946480264 /nfs/dbraw/zinc/48/02/64/946480264.db2.gz JMYPPEVXAOZTND-AWEZNQCLSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)CC(C)C ZINC001573510690 946480270 /nfs/dbraw/zinc/48/02/70/946480270.db2.gz JMYPPEVXAOZTND-AWEZNQCLSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573512103 946494391 /nfs/dbraw/zinc/49/43/91/946494391.db2.gz DZEAUSAFROFIER-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573512103 946494399 /nfs/dbraw/zinc/49/43/99/946494399.db2.gz DZEAUSAFROFIER-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573512103 946494407 /nfs/dbraw/zinc/49/44/07/946494407.db2.gz DZEAUSAFROFIER-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573512103 946494416 /nfs/dbraw/zinc/49/44/16/946494416.db2.gz DZEAUSAFROFIER-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573512201 946496561 /nfs/dbraw/zinc/49/65/61/946496561.db2.gz VZOHDLYCZZEMTM-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573512201 946496566 /nfs/dbraw/zinc/49/65/66/946496566.db2.gz VZOHDLYCZZEMTM-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573512201 946496572 /nfs/dbraw/zinc/49/65/72/946496572.db2.gz VZOHDLYCZZEMTM-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573512201 946496583 /nfs/dbraw/zinc/49/65/83/946496583.db2.gz VZOHDLYCZZEMTM-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C12CCC2 ZINC001573513041 946507505 /nfs/dbraw/zinc/50/75/05/946507505.db2.gz KGNCCZMZRMOAAV-CVEARBPZSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C12CCC2 ZINC001573513041 946507511 /nfs/dbraw/zinc/50/75/11/946507511.db2.gz KGNCCZMZRMOAAV-CVEARBPZSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC12CC[NH+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573513032 946508664 /nfs/dbraw/zinc/50/86/64/946508664.db2.gz KCVWWQOJNRKECB-INIZCTEOSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC12CC[NH+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573513032 946508676 /nfs/dbraw/zinc/50/86/76/946508676.db2.gz KCVWWQOJNRKECB-INIZCTEOSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573513258 946509890 /nfs/dbraw/zinc/50/98/90/946509890.db2.gz MAADOVATPUGBQM-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573513258 946509902 /nfs/dbraw/zinc/50/99/02/946509902.db2.gz MAADOVATPUGBQM-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCCC1 ZINC001573513226 946510507 /nfs/dbraw/zinc/51/05/07/946510507.db2.gz LTBGDKZKFIWEJL-UHFFFAOYSA-N 0 3 389.435 0.661 20 0 GCADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CCCC1 ZINC001573513226 946510510 /nfs/dbraw/zinc/51/05/10/946510510.db2.gz LTBGDKZKFIWEJL-UHFFFAOYSA-N 0 3 389.435 0.661 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573514153 946519745 /nfs/dbraw/zinc/51/97/45/946519745.db2.gz TTXOEEOYFGAIBI-XIRDDKMYSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573514153 946519751 /nfs/dbraw/zinc/51/97/51/946519751.db2.gz TTXOEEOYFGAIBI-XIRDDKMYSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC001573514153 946519759 /nfs/dbraw/zinc/51/97/59/946519759.db2.gz TTXOEEOYFGAIBI-XIRDDKMYSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC001573514153 946519765 /nfs/dbraw/zinc/51/97/65/946519765.db2.gz TTXOEEOYFGAIBI-XIRDDKMYSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573514377 946526882 /nfs/dbraw/zinc/52/68/82/946526882.db2.gz YAAPHGWVUSENMM-IMJJTQAJSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573514377 946526892 /nfs/dbraw/zinc/52/68/92/946526892.db2.gz YAAPHGWVUSENMM-IMJJTQAJSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1-c1nn[n-]n1)C2 ZINC001573514377 946526904 /nfs/dbraw/zinc/52/69/04/946526904.db2.gz YAAPHGWVUSENMM-IMJJTQAJSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1-c1nn[n-]n1)C2 ZINC001573514377 946526913 /nfs/dbraw/zinc/52/69/13/946526913.db2.gz YAAPHGWVUSENMM-IMJJTQAJSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573514572 946530298 /nfs/dbraw/zinc/53/02/98/946530298.db2.gz AELBNMAOOBFKTG-OAHLLOKOSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573514572 946530302 /nfs/dbraw/zinc/53/03/02/946530302.db2.gz AELBNMAOOBFKTG-OAHLLOKOSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCCC1 ZINC001573517028 946565353 /nfs/dbraw/zinc/56/53/53/946565353.db2.gz CZKIJQOFWIZEIB-UHFFFAOYSA-N 0 3 389.435 0.661 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCCC1 ZINC001573517028 946565356 /nfs/dbraw/zinc/56/53/56/946565356.db2.gz CZKIJQOFWIZEIB-UHFFFAOYSA-N 0 3 389.435 0.661 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573517532 946576124 /nfs/dbraw/zinc/57/61/24/946576124.db2.gz MMAYSXJJQFAJQO-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573517532 946576141 /nfs/dbraw/zinc/57/61/41/946576141.db2.gz MMAYSXJJQFAJQO-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573517532 946576148 /nfs/dbraw/zinc/57/61/48/946576148.db2.gz MMAYSXJJQFAJQO-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573517532 946576158 /nfs/dbraw/zinc/57/61/58/946576158.db2.gz MMAYSXJJQFAJQO-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573517841 946582242 /nfs/dbraw/zinc/58/22/42/946582242.db2.gz SJGHLONPSWFNHH-AWEZNQCLSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573517841 946582253 /nfs/dbraw/zinc/58/22/53/946582253.db2.gz SJGHLONPSWFNHH-AWEZNQCLSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001573518006 946583612 /nfs/dbraw/zinc/58/36/12/946583612.db2.gz VBXKJONIZFXENC-UHFFFAOYSA-N 0 3 385.472 0.912 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001573518006 946583623 /nfs/dbraw/zinc/58/36/23/946583623.db2.gz VBXKJONIZFXENC-UHFFFAOYSA-N 0 3 385.472 0.912 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573520238 946593086 /nfs/dbraw/zinc/59/30/86/946593086.db2.gz FIZVERNCOILCBH-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573520238 946593096 /nfs/dbraw/zinc/59/30/96/946593096.db2.gz FIZVERNCOILCBH-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573520238 946593102 /nfs/dbraw/zinc/59/31/02/946593102.db2.gz FIZVERNCOILCBH-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573520238 946593113 /nfs/dbraw/zinc/59/31/13/946593113.db2.gz FIZVERNCOILCBH-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573520240 946593345 /nfs/dbraw/zinc/59/33/45/946593345.db2.gz FJCHOTJHFJDHFN-VDISTLRHSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573520240 946593355 /nfs/dbraw/zinc/59/33/55/946593355.db2.gz FJCHOTJHFJDHFN-VDISTLRHSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573520077 946593672 /nfs/dbraw/zinc/59/36/72/946593672.db2.gz BZOUTUDGQZGHLH-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573520077 946593675 /nfs/dbraw/zinc/59/36/75/946593675.db2.gz BZOUTUDGQZGHLH-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573520299 946595277 /nfs/dbraw/zinc/59/52/77/946595277.db2.gz HTRVSSZHLUTKEV-GXTWGEPZSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573520299 946595287 /nfs/dbraw/zinc/59/52/87/946595287.db2.gz HTRVSSZHLUTKEV-GXTWGEPZSA-N 0 3 389.435 0.516 20 0 GCADHN CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000824141040 946600134 /nfs/dbraw/zinc/60/01/34/946600134.db2.gz AWNHAFXUJDELMM-NSHDSACASA-N 0 3 387.448 0.063 20 0 GCADHN CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000824141040 946600142 /nfs/dbraw/zinc/60/01/42/946600142.db2.gz AWNHAFXUJDELMM-NSHDSACASA-N 0 3 387.448 0.063 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001573520939 946604552 /nfs/dbraw/zinc/60/45/52/946604552.db2.gz QCCXJDJADKYWBW-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001573520939 946604559 /nfs/dbraw/zinc/60/45/59/946604559.db2.gz QCCXJDJADKYWBW-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[n-]n2)c1 ZINC001573520939 946604564 /nfs/dbraw/zinc/60/45/64/946604564.db2.gz QCCXJDJADKYWBW-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@H+]1Cc1cccc(-c2nn[n-]n2)c1 ZINC001573520939 946604568 /nfs/dbraw/zinc/60/45/68/946604568.db2.gz QCCXJDJADKYWBW-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573521425 946605944 /nfs/dbraw/zinc/60/59/44/946605944.db2.gz VQWUMSYEZFVLPR-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573521425 946605950 /nfs/dbraw/zinc/60/59/50/946605950.db2.gz VQWUMSYEZFVLPR-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573521425 946605954 /nfs/dbraw/zinc/60/59/54/946605954.db2.gz VQWUMSYEZFVLPR-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573521425 946605966 /nfs/dbraw/zinc/60/59/66/946605966.db2.gz VQWUMSYEZFVLPR-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573521922 946615107 /nfs/dbraw/zinc/61/51/07/946615107.db2.gz OSBLAKSXUPIYCP-JOCQHMNTSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573521922 946615114 /nfs/dbraw/zinc/61/51/14/946615114.db2.gz OSBLAKSXUPIYCP-JOCQHMNTSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573523854 946639109 /nfs/dbraw/zinc/63/91/09/946639109.db2.gz XQJKMDYOEQBFPY-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573523854 946639114 /nfs/dbraw/zinc/63/91/14/946639114.db2.gz XQJKMDYOEQBFPY-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573528121 946656842 /nfs/dbraw/zinc/65/68/42/946656842.db2.gz VHRDUQQYPWQFNE-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573528246 946659423 /nfs/dbraw/zinc/65/94/23/946659423.db2.gz ZZTCEARKGDUQKY-GASCZTMLSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573528246 946659433 /nfs/dbraw/zinc/65/94/33/946659433.db2.gz ZZTCEARKGDUQKY-GASCZTMLSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573528247 946660092 /nfs/dbraw/zinc/66/00/92/946660092.db2.gz ZZTCEARKGDUQKY-SHTZXODSSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573528247 946660099 /nfs/dbraw/zinc/66/00/99/946660099.db2.gz ZZTCEARKGDUQKY-SHTZXODSSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573536185 946732351 /nfs/dbraw/zinc/73/23/51/946732351.db2.gz ROCRMOPKTDLRQJ-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573537414 946748122 /nfs/dbraw/zinc/74/81/22/946748122.db2.gz NSNHQDRSIRGPKU-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001573541184 946782975 /nfs/dbraw/zinc/78/29/75/946782975.db2.gz NYDNNPQESPJZCK-MRXNPFEDSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001573541184 946782982 /nfs/dbraw/zinc/78/29/82/946782982.db2.gz NYDNNPQESPJZCK-MRXNPFEDSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824591648 946843844 /nfs/dbraw/zinc/84/38/44/946843844.db2.gz JNNQRLZUUNRIGI-CYBMUJFWSA-N 0 3 379.490 0.095 20 0 GCADHN C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824591648 946843853 /nfs/dbraw/zinc/84/38/53/946843853.db2.gz JNNQRLZUUNRIGI-CYBMUJFWSA-N 0 3 379.490 0.095 20 0 GCADHN C[NH+](C)CCn1cc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)ccc1=O ZINC000825870588 947352099 /nfs/dbraw/zinc/35/20/99/947352099.db2.gz UCDXHWAMMLCLND-UHFFFAOYSA-N 0 3 388.819 0.891 20 0 GCADHN CN(CCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)c1cc[nH+]cc1 ZINC000825914766 947369374 /nfs/dbraw/zinc/36/93/74/947369374.db2.gz NDQFGPBFSOAYLI-UHFFFAOYSA-N 0 3 393.455 0.832 20 0 GCADHN CN(CCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)c1cc[nH+]cc1 ZINC000825914766 947369381 /nfs/dbraw/zinc/36/93/81/947369381.db2.gz NDQFGPBFSOAYLI-UHFFFAOYSA-N 0 3 393.455 0.832 20 0 GCADHN C[C@H](C(=O)N(C)C)[N@H+](C)CC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573594934 947411048 /nfs/dbraw/zinc/41/10/48/947411048.db2.gz UWSCIQYTGICABA-GFCCVEGCSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@H](C(=O)N(C)C)[N@@H+](C)CC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573594934 947411058 /nfs/dbraw/zinc/41/10/58/947411058.db2.gz UWSCIQYTGICABA-GFCCVEGCSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573595582 947421565 /nfs/dbraw/zinc/42/15/65/947421565.db2.gz ZCBZQCULTBBIAP-GRTSSRMGSA-N 0 3 381.444 0.798 20 0 GCADHN C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573595582 947421578 /nfs/dbraw/zinc/42/15/78/947421578.db2.gz ZCBZQCULTBBIAP-GRTSSRMGSA-N 0 3 381.444 0.798 20 0 GCADHN C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573595509 947421856 /nfs/dbraw/zinc/42/18/56/947421856.db2.gz YOTNHNUUDJZUGP-QGLTVNCISA-N 0 3 392.485 0.379 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccc1 ZINC001573595915 947425015 /nfs/dbraw/zinc/42/50/15/947425015.db2.gz HOLDLVPKGXPRTL-PBHICJAKSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccc1 ZINC001573595915 947425028 /nfs/dbraw/zinc/42/50/28/947425028.db2.gz HOLDLVPKGXPRTL-PBHICJAKSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001573597359 947436208 /nfs/dbraw/zinc/43/62/08/947436208.db2.gz NZRYXQKSNLGBBH-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001573597359 947436216 /nfs/dbraw/zinc/43/62/16/947436216.db2.gz NZRYXQKSNLGBBH-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001573597359 947436224 /nfs/dbraw/zinc/43/62/24/947436224.db2.gz NZRYXQKSNLGBBH-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001573597359 947436231 /nfs/dbraw/zinc/43/62/31/947436231.db2.gz NZRYXQKSNLGBBH-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN COC(=O)C1CC[NH+](CCCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000826133786 947447325 /nfs/dbraw/zinc/44/73/25/947447325.db2.gz PPZMTJGUAPNNBP-UHFFFAOYSA-N 0 3 391.432 0.097 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC001573599000 947447996 /nfs/dbraw/zinc/44/79/96/947447996.db2.gz UADFCLCXXVQAKZ-PWSUYJOCSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC001573599000 947448005 /nfs/dbraw/zinc/44/80/05/947448005.db2.gz UADFCLCXXVQAKZ-PWSUYJOCSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573603574 947492168 /nfs/dbraw/zinc/49/21/68/947492168.db2.gz NRMKBKOIZIEAHL-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573603574 947492175 /nfs/dbraw/zinc/49/21/75/947492175.db2.gz NRMKBKOIZIEAHL-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[NH+]1CCCCCC1 ZINC001573607873 947554582 /nfs/dbraw/zinc/55/45/82/947554582.db2.gz SYKRLGQBVIORBJ-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573616295 947622180 /nfs/dbraw/zinc/62/21/80/947622180.db2.gz MPZBUTVPJHSHGH-QWHCGFSZSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573616295 947622184 /nfs/dbraw/zinc/62/21/84/947622184.db2.gz MPZBUTVPJHSHGH-QWHCGFSZSA-N 0 3 392.485 0.238 20 0 GCADHN CS(=O)(=O)NCCC[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826223091 947659819 /nfs/dbraw/zinc/65/98/19/947659819.db2.gz ATIYMKAABMIRSA-UHFFFAOYSA-N 0 3 393.517 0.360 20 0 GCADHN C[C@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)S(C)(=O)=O ZINC001573626382 947708721 /nfs/dbraw/zinc/70/87/21/947708721.db2.gz UIMMVIBDDVOOKN-GFCCVEGCSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC001573626382 947708736 /nfs/dbraw/zinc/70/87/36/947708736.db2.gz UIMMVIBDDVOOKN-GFCCVEGCSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCCC1 ZINC001573627115 947718300 /nfs/dbraw/zinc/71/83/00/947718300.db2.gz YXLIZTNRNIKTKY-ZIAGYGMSSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573628796 947765106 /nfs/dbraw/zinc/76/51/06/947765106.db2.gz OGGRNZBMFMGCKO-TZMCWYRMSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573631514 947802016 /nfs/dbraw/zinc/80/20/16/947802016.db2.gz VRMPLRCPJJKUAD-CZUORRHYSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573631514 947802024 /nfs/dbraw/zinc/80/20/24/947802024.db2.gz VRMPLRCPJJKUAD-CZUORRHYSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573639735 947848517 /nfs/dbraw/zinc/84/85/17/947848517.db2.gz BWTYCQJANQMXRL-DGCLKSJQSA-N 0 3 385.407 0.549 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573639735 947848525 /nfs/dbraw/zinc/84/85/25/947848525.db2.gz BWTYCQJANQMXRL-DGCLKSJQSA-N 0 3 385.407 0.549 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC001573387536 947910888 /nfs/dbraw/zinc/91/08/88/947910888.db2.gz BUUVZUMXFALYGR-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001573387539 947910922 /nfs/dbraw/zinc/91/09/22/947910922.db2.gz BUUVZUMXFALYGR-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573388221 947916751 /nfs/dbraw/zinc/91/67/51/947916751.db2.gz JGOXPKUEGKHKIO-UHFFFAOYSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573388375 947918291 /nfs/dbraw/zinc/91/82/91/947918291.db2.gz LRQPQFLVLJJHQZ-BZNIZROVSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573389498 947924196 /nfs/dbraw/zinc/92/41/96/947924196.db2.gz RTMISTAUAMZOIN-QGZVFWFLSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573389498 947924205 /nfs/dbraw/zinc/92/42/05/947924205.db2.gz RTMISTAUAMZOIN-QGZVFWFLSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573389134 947924680 /nfs/dbraw/zinc/92/46/80/947924680.db2.gz QRCBVFUFNVVXSL-MEDUHNTESA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573389134 947924687 /nfs/dbraw/zinc/92/46/87/947924687.db2.gz QRCBVFUFNVVXSL-MEDUHNTESA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573389497 947924698 /nfs/dbraw/zinc/92/46/98/947924698.db2.gz RTMISTAUAMZOIN-KRWDZBQOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573389497 947924704 /nfs/dbraw/zinc/92/47/04/947924704.db2.gz RTMISTAUAMZOIN-KRWDZBQOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573389595 947926728 /nfs/dbraw/zinc/92/67/28/947926728.db2.gz UMGSGNHEWBPYEF-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573389595 947926730 /nfs/dbraw/zinc/92/67/30/947926730.db2.gz UMGSGNHEWBPYEF-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573390651 947930636 /nfs/dbraw/zinc/93/06/36/947930636.db2.gz ZSQWYBZYWNWZLT-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573390675 947931722 /nfs/dbraw/zinc/93/17/22/947931722.db2.gz ZXMWETGMPKLITK-INIZCTEOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573390675 947931727 /nfs/dbraw/zinc/93/17/27/947931727.db2.gz ZXMWETGMPKLITK-INIZCTEOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573390867 947932062 /nfs/dbraw/zinc/93/20/62/947932062.db2.gz DDUJJANNWFSXNX-AWEZNQCLSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573390867 947932068 /nfs/dbraw/zinc/93/20/68/947932068.db2.gz DDUJJANNWFSXNX-AWEZNQCLSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573391767 947936045 /nfs/dbraw/zinc/93/60/45/947936045.db2.gz JRWXGFNBIKOHQN-AWEZNQCLSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573391767 947936050 /nfs/dbraw/zinc/93/60/50/947936050.db2.gz JRWXGFNBIKOHQN-AWEZNQCLSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573392077 947942036 /nfs/dbraw/zinc/94/20/36/947942036.db2.gz RFSOBDVRSFYFMB-HNNXBMFYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573392657 947951333 /nfs/dbraw/zinc/95/13/33/947951333.db2.gz DFJOHKZLMLJMGY-CXAGYDPISA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573392657 947951342 /nfs/dbraw/zinc/95/13/42/947951342.db2.gz DFJOHKZLMLJMGY-CXAGYDPISA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573393753 947960247 /nfs/dbraw/zinc/96/02/47/947960247.db2.gz PYTMYUWQKPQKAW-CQSZACIVSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573393753 947960250 /nfs/dbraw/zinc/96/02/50/947960250.db2.gz PYTMYUWQKPQKAW-CQSZACIVSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573393984 947962347 /nfs/dbraw/zinc/96/23/47/947962347.db2.gz RNMJYRRWECQTBO-INIZCTEOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573393984 947962352 /nfs/dbraw/zinc/96/23/52/947962352.db2.gz RNMJYRRWECQTBO-INIZCTEOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573393984 947962356 /nfs/dbraw/zinc/96/23/56/947962356.db2.gz RNMJYRRWECQTBO-INIZCTEOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573393984 947962360 /nfs/dbraw/zinc/96/23/60/947962360.db2.gz RNMJYRRWECQTBO-INIZCTEOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@@H]1C ZINC001573394390 947964077 /nfs/dbraw/zinc/96/40/77/947964077.db2.gz SRMGKZPZPYPIFS-ZBEGNZNMSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@@H]1C ZINC001573394390 947964081 /nfs/dbraw/zinc/96/40/81/947964081.db2.gz SRMGKZPZPYPIFS-ZBEGNZNMSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@H]1C ZINC001573394733 947966178 /nfs/dbraw/zinc/96/61/78/947966178.db2.gz VTXGRGOWYCQRLM-BZNIZROVSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573395261 947968687 /nfs/dbraw/zinc/96/86/87/947968687.db2.gz YAMYRTVMLGOUGV-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573395261 947968696 /nfs/dbraw/zinc/96/86/96/947968696.db2.gz YAMYRTVMLGOUGV-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573395606 947970592 /nfs/dbraw/zinc/97/05/92/947970592.db2.gz ZFOKYBKSTBYGKY-LJQANCHMSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573395606 947970598 /nfs/dbraw/zinc/97/05/98/947970598.db2.gz ZFOKYBKSTBYGKY-LJQANCHMSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573397600 947973648 /nfs/dbraw/zinc/97/36/48/947973648.db2.gz CPBCTPGRZZHUJR-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)N(C)CC(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573397600 947973651 /nfs/dbraw/zinc/97/36/51/947973651.db2.gz CPBCTPGRZZHUJR-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001573397843 947976930 /nfs/dbraw/zinc/97/69/30/947976930.db2.gz DYALAVVNGVHSTN-KRWDZBQOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001573397843 947976936 /nfs/dbraw/zinc/97/69/36/947976936.db2.gz DYALAVVNGVHSTN-KRWDZBQOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573398313 947979620 /nfs/dbraw/zinc/97/96/20/947979620.db2.gz JEOUHUKPFQWXML-RYUDHWBXSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573398313 947979627 /nfs/dbraw/zinc/97/96/27/947979627.db2.gz JEOUHUKPFQWXML-RYUDHWBXSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573398538 947982937 /nfs/dbraw/zinc/98/29/37/947982937.db2.gz MHHVCQBMQPPMPD-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573401227 947996337 /nfs/dbraw/zinc/99/63/37/947996337.db2.gz AOZRDZZWFNEBHB-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001573401227 947996342 /nfs/dbraw/zinc/99/63/42/947996342.db2.gz AOZRDZZWFNEBHB-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573401862 948000090 /nfs/dbraw/zinc/00/00/90/948000090.db2.gz DTOFGUVGCHCZHD-IAGOWNOFSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573401862 948000095 /nfs/dbraw/zinc/00/00/95/948000095.db2.gz DTOFGUVGCHCZHD-IAGOWNOFSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573403080 948009389 /nfs/dbraw/zinc/00/93/89/948009389.db2.gz LEQOVPPHCXZDDG-HZPDHXFCSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573403080 948009401 /nfs/dbraw/zinc/00/94/01/948009401.db2.gz LEQOVPPHCXZDDG-HZPDHXFCSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573404756 948030936 /nfs/dbraw/zinc/03/09/36/948030936.db2.gz WCALJYXBAMVBSP-IAGOWNOFSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573404756 948030942 /nfs/dbraw/zinc/03/09/42/948030942.db2.gz WCALJYXBAMVBSP-IAGOWNOFSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](C(=O)NC1CC1)[N@H+](C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573663467 948036508 /nfs/dbraw/zinc/03/65/08/948036508.db2.gz MEBONUCYJVOXEL-NSHDSACASA-N 0 3 386.460 0.398 20 0 GCADHN C[C@@H](C(=O)NC1CC1)[N@@H+](C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573663467 948036515 /nfs/dbraw/zinc/03/65/15/948036515.db2.gz MEBONUCYJVOXEL-NSHDSACASA-N 0 3 386.460 0.398 20 0 GCADHN C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573663460 948036796 /nfs/dbraw/zinc/03/67/96/948036796.db2.gz LYXZTKASZJOIEP-NEPJUHHUSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573663460 948036801 /nfs/dbraw/zinc/03/68/01/948036801.db2.gz LYXZTKASZJOIEP-NEPJUHHUSA-N 0 3 386.460 0.304 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573404980 948036850 /nfs/dbraw/zinc/03/68/50/948036850.db2.gz MQTWMSQTSPEQFD-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573404980 948036856 /nfs/dbraw/zinc/03/68/56/948036856.db2.gz MQTWMSQTSPEQFD-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573404980 948036862 /nfs/dbraw/zinc/03/68/62/948036862.db2.gz MQTWMSQTSPEQFD-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573404980 948036870 /nfs/dbraw/zinc/03/68/70/948036870.db2.gz MQTWMSQTSPEQFD-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573405138 948038600 /nfs/dbraw/zinc/03/86/00/948038600.db2.gz YWEVFMVDZNUUDN-INIZCTEOSA-N 0 3 391.451 0.715 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573405138 948038608 /nfs/dbraw/zinc/03/86/08/948038608.db2.gz YWEVFMVDZNUUDN-INIZCTEOSA-N 0 3 391.451 0.715 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573406758 948057232 /nfs/dbraw/zinc/05/72/32/948057232.db2.gz QXRRIWOUEYVFNP-OKILXGFUSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573406758 948057237 /nfs/dbraw/zinc/05/72/37/948057237.db2.gz QXRRIWOUEYVFNP-OKILXGFUSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573413417 948081625 /nfs/dbraw/zinc/08/16/25/948081625.db2.gz DMTQTFNYWJDNLN-SJKOYZFVSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573413417 948081633 /nfs/dbraw/zinc/08/16/33/948081633.db2.gz DMTQTFNYWJDNLN-SJKOYZFVSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573413808 948085987 /nfs/dbraw/zinc/08/59/87/948085987.db2.gz GUTNBMBMVLBQHH-KRWDZBQOSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573413808 948085996 /nfs/dbraw/zinc/08/59/96/948085996.db2.gz GUTNBMBMVLBQHH-KRWDZBQOSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)CNCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573415540 948110802 /nfs/dbraw/zinc/11/08/02/948110802.db2.gz WYRDKJVYWVKMHK-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573415504 948111132 /nfs/dbraw/zinc/11/11/32/948111132.db2.gz VRTBHJPDGXSRFC-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)NC2CC[NH+](Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001573417752 948114367 /nfs/dbraw/zinc/11/43/67/948114367.db2.gz BASDUTUGTXFMQS-UHFFFAOYSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573419877 948130642 /nfs/dbraw/zinc/13/06/42/948130642.db2.gz UTHRTZXAHRBVLX-LLVKDONJSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573419877 948130647 /nfs/dbraw/zinc/13/06/47/948130647.db2.gz UTHRTZXAHRBVLX-LLVKDONJSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001573421112 948136375 /nfs/dbraw/zinc/13/63/75/948136375.db2.gz CMUMTKARPSMFPU-QGZVFWFLSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001573421112 948136379 /nfs/dbraw/zinc/13/63/79/948136379.db2.gz CMUMTKARPSMFPU-QGZVFWFLSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573677416 948136727 /nfs/dbraw/zinc/13/67/27/948136727.db2.gz AHFUKEPAUQCJAR-BLLLJJGKSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573677416 948136730 /nfs/dbraw/zinc/13/67/30/948136730.db2.gz AHFUKEPAUQCJAR-BLLLJJGKSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573421437 948137518 /nfs/dbraw/zinc/13/75/18/948137518.db2.gz FTPBHFLGKVJLKN-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN Cn1ccnc1N1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000826364875 948141837 /nfs/dbraw/zinc/14/18/37/948141837.db2.gz PCJBHGUDXSWRDH-UHFFFAOYSA-N 0 3 387.473 0.813 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)C1 ZINC001573423273 948143482 /nfs/dbraw/zinc/14/34/82/948143482.db2.gz OSEARRLUSZULQN-KRWDZBQOSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)C1 ZINC001573423273 948143493 /nfs/dbraw/zinc/14/34/93/948143493.db2.gz OSEARRLUSZULQN-KRWDZBQOSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]2C)C1 ZINC001573423082 948144498 /nfs/dbraw/zinc/14/44/98/948144498.db2.gz NCCHVIQBUAOKKV-CXAGYDPISA-N 0 3 397.483 0.529 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]2C)C1 ZINC001573423082 948144503 /nfs/dbraw/zinc/14/45/03/948144503.db2.gz NCCHVIQBUAOKKV-CXAGYDPISA-N 0 3 397.483 0.529 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]2C)C1 ZINC001573423082 948144511 /nfs/dbraw/zinc/14/45/11/948144511.db2.gz NCCHVIQBUAOKKV-CXAGYDPISA-N 0 3 397.483 0.529 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]2C)C1 ZINC001573423082 948144516 /nfs/dbraw/zinc/14/45/16/948144516.db2.gz NCCHVIQBUAOKKV-CXAGYDPISA-N 0 3 397.483 0.529 20 0 GCADHN C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573679697 948165468 /nfs/dbraw/zinc/16/54/68/948165468.db2.gz JOBMPGGTRKTGPN-JQWIXIFHSA-N 0 3 390.473 0.032 20 0 GCADHN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573679696 948165979 /nfs/dbraw/zinc/16/59/79/948165979.db2.gz JOBMPGGTRKTGPN-CMPLNLGQSA-N 0 3 390.473 0.032 20 0 GCADHN CC(=O)N1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573430052 948175111 /nfs/dbraw/zinc/17/51/11/948175111.db2.gz MBUIQMPGLVLMBH-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573430052 948175114 /nfs/dbraw/zinc/17/51/14/948175114.db2.gz MBUIQMPGLVLMBH-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573431539 948180889 /nfs/dbraw/zinc/18/08/89/948180889.db2.gz WKMJLSLYCRBZSO-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573431539 948180894 /nfs/dbraw/zinc/18/08/94/948180894.db2.gz WKMJLSLYCRBZSO-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN C[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)[NH+]1CCCCCC1 ZINC001573681784 948212326 /nfs/dbraw/zinc/21/23/26/948212326.db2.gz XWIQTTSRNDTFFL-DZGCQCFKSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573691867 948248891 /nfs/dbraw/zinc/24/88/91/948248891.db2.gz KOGHNGPTCLKTML-AAEUAGOBSA-N 0 3 388.407 0.030 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573691867 948248904 /nfs/dbraw/zinc/24/89/04/948248904.db2.gz KOGHNGPTCLKTML-AAEUAGOBSA-N 0 3 388.407 0.030 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)n1cccn1 ZINC001573694481 948296219 /nfs/dbraw/zinc/29/62/19/948296219.db2.gz WBHACJVVHKLCBE-RISCZKNCSA-N 0 3 388.407 0.030 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)n1cccc1 ZINC001573694465 948296469 /nfs/dbraw/zinc/29/64/69/948296469.db2.gz VUWZYCLRBNMBJR-SWLSCSKDSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)n1cccc1 ZINC001573694465 948296475 /nfs/dbraw/zinc/29/64/75/948296475.db2.gz VUWZYCLRBNMBJR-SWLSCSKDSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573695067 948300367 /nfs/dbraw/zinc/30/03/67/948300367.db2.gz WSCFTUOMYVMEHA-WPRPVWTQSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573695067 948300379 /nfs/dbraw/zinc/30/03/79/948300379.db2.gz WSCFTUOMYVMEHA-WPRPVWTQSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573695664 948309789 /nfs/dbraw/zinc/30/97/89/948309789.db2.gz HYNZBKVFRURTTL-DCBWTQNWSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573695664 948309798 /nfs/dbraw/zinc/30/97/98/948309798.db2.gz HYNZBKVFRURTTL-DCBWTQNWSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573445048 948320002 /nfs/dbraw/zinc/32/00/02/948320002.db2.gz XEWUGNFNVDGWMD-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573445082 948322805 /nfs/dbraw/zinc/32/28/05/948322805.db2.gz XZDJJXNNCUCZKQ-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573445082 948322812 /nfs/dbraw/zinc/32/28/12/948322812.db2.gz XZDJJXNNCUCZKQ-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573445240 948322950 /nfs/dbraw/zinc/32/29/50/948322950.db2.gz YXMHSEXMNZSLIX-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573445240 948322960 /nfs/dbraw/zinc/32/29/60/948322960.db2.gz YXMHSEXMNZSLIX-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573446473 948329149 /nfs/dbraw/zinc/32/91/49/948329149.db2.gz HLVPMTXKSRHOQR-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573446473 948329158 /nfs/dbraw/zinc/32/91/58/948329158.db2.gz HLVPMTXKSRHOQR-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573446473 948329166 /nfs/dbraw/zinc/32/91/66/948329166.db2.gz HLVPMTXKSRHOQR-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573446473 948329176 /nfs/dbraw/zinc/32/91/76/948329176.db2.gz HLVPMTXKSRHOQR-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573446593 948332124 /nfs/dbraw/zinc/33/21/24/948332124.db2.gz JOUFCHJEKYAVIB-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573446593 948332132 /nfs/dbraw/zinc/33/21/32/948332132.db2.gz JOUFCHJEKYAVIB-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN O=S1(=O)CCC[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826497120 948411434 /nfs/dbraw/zinc/41/14/34/948411434.db2.gz VDMMJXBNVLZIOF-QGZVFWFLSA-N 0 3 390.513 0.998 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573717354 948506162 /nfs/dbraw/zinc/50/61/62/948506162.db2.gz LTPBDJRAVXFJHL-RYUDHWBXSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573717354 948506170 /nfs/dbraw/zinc/50/61/70/948506170.db2.gz LTPBDJRAVXFJHL-RYUDHWBXSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@H](C(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001573718700 948518298 /nfs/dbraw/zinc/51/82/98/948518298.db2.gz JIETUYRKUJKCDO-HZMBPMFUSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573725573 948544603 /nfs/dbraw/zinc/54/46/03/948544603.db2.gz BGLFPSPTPCHOKM-DUVNUKRYSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573725573 948544613 /nfs/dbraw/zinc/54/46/13/948544613.db2.gz BGLFPSPTPCHOKM-DUVNUKRYSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573726286 948549617 /nfs/dbraw/zinc/54/96/17/948549617.db2.gz HYNZBKVFRURTTL-BZPMIXESSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573726286 948549624 /nfs/dbraw/zinc/54/96/24/948549624.db2.gz HYNZBKVFRURTTL-BZPMIXESSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573741224 948652342 /nfs/dbraw/zinc/65/23/42/948652342.db2.gz ZPXAHDNMESSLJF-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573741223 948652600 /nfs/dbraw/zinc/65/26/00/948652600.db2.gz ZPXAHDNMESSLJF-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCCC1 ZINC001573746544 948684182 /nfs/dbraw/zinc/68/41/82/948684182.db2.gz OACIBLBPRQPGDU-KGLIPLIRSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573746758 948684328 /nfs/dbraw/zinc/68/43/28/948684328.db2.gz KWOLSALRAXCBDX-FWYOQMDTSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573746758 948684336 /nfs/dbraw/zinc/68/43/36/948684336.db2.gz KWOLSALRAXCBDX-FWYOQMDTSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573751931 948709399 /nfs/dbraw/zinc/70/93/99/948709399.db2.gz IHMGDEOKVKFGJQ-LERXQTSPSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573751930 948709742 /nfs/dbraw/zinc/70/97/42/948709742.db2.gz IHMGDEOKVKFGJQ-BPNCWPANSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](CNC(=O)CCc1ccnn1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574917309 948815757 /nfs/dbraw/zinc/81/57/57/948815757.db2.gz WENNLLIZSDEFNO-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@@H](CNC(=O)CCc1ccnn1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574917309 948815779 /nfs/dbraw/zinc/81/57/79/948815779.db2.gz WENNLLIZSDEFNO-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917934 948826740 /nfs/dbraw/zinc/82/67/40/948826740.db2.gz CRYOZOCAVQMHEN-CYBMUJFWSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917934 948826758 /nfs/dbraw/zinc/82/67/58/948826758.db2.gz CRYOZOCAVQMHEN-CYBMUJFWSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574918154 948836360 /nfs/dbraw/zinc/83/63/60/948836360.db2.gz GLAJDEIZWMYOHN-GFCCVEGCSA-N 0 3 387.423 0.672 20 0 GCADHN CC(C)(C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001573761113 948838757 /nfs/dbraw/zinc/83/87/57/948838757.db2.gz CCUJWJPBFCEDJA-UHFFFAOYSA-N 0 3 388.476 0.369 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573761300 948840459 /nfs/dbraw/zinc/84/04/59/948840459.db2.gz GOEAXIFQTCMPKN-ZDUSSCGKSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H](CNC(=O)CCc1cncn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574921121 948918367 /nfs/dbraw/zinc/91/83/67/948918367.db2.gz SPQYFDIWAHFEBB-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001573765763 948924298 /nfs/dbraw/zinc/92/42/98/948924298.db2.gz FBHWJTOWZHDNIY-KBPBESRZSA-N 0 3 382.472 0.926 20 0 GCADHN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001573765763 948924310 /nfs/dbraw/zinc/92/43/10/948924310.db2.gz FBHWJTOWZHDNIY-KBPBESRZSA-N 0 3 382.472 0.926 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccccc1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574923061 948932202 /nfs/dbraw/zinc/93/22/02/948932202.db2.gz CBOPNRKMAATKGB-AWEZNQCLSA-N 0 3 381.440 0.713 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccccc1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574923061 948932215 /nfs/dbraw/zinc/93/22/15/948932215.db2.gz CBOPNRKMAATKGB-AWEZNQCLSA-N 0 3 381.440 0.713 20 0 GCADHN C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574687174 948948991 /nfs/dbraw/zinc/94/89/91/948948991.db2.gz OAXUKDIPMGABOG-ZDUSSCGKSA-N 0 3 388.476 0.679 20 0 GCADHN C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574687174 948949002 /nfs/dbraw/zinc/94/90/02/948949002.db2.gz OAXUKDIPMGABOG-ZDUSSCGKSA-N 0 3 388.476 0.679 20 0 GCADHN C[C@H](CNC(=O)CCn1ccccc1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574923472 948949433 /nfs/dbraw/zinc/94/94/33/948949433.db2.gz NNGOKHDXPSMWLI-CQSZACIVSA-N 0 3 381.440 0.713 20 0 GCADHN C[C@H](CNC(=O)CCn1ccccc1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574923472 948949440 /nfs/dbraw/zinc/94/94/40/948949440.db2.gz NNGOKHDXPSMWLI-CQSZACIVSA-N 0 3 381.440 0.713 20 0 GCADHN CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCC1 ZINC001573772356 948957543 /nfs/dbraw/zinc/95/75/43/948957543.db2.gz APUXTOAYDVKADK-ZDUSSCGKSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574923858 948958681 /nfs/dbraw/zinc/95/86/81/948958681.db2.gz SQUONKPATCDKCN-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574923858 948958696 /nfs/dbraw/zinc/95/86/96/948958696.db2.gz SQUONKPATCDKCN-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)[NH+]1CCCCC1 ZINC001573773164 948976017 /nfs/dbraw/zinc/97/60/17/948976017.db2.gz IMMNXZHOQPPWMP-AWEZNQCLSA-N 0 3 388.476 0.415 20 0 GCADHN CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)[NH+]1CCCCC1 ZINC001573773166 948977591 /nfs/dbraw/zinc/97/75/91/948977591.db2.gz IMMNXZHOQPPWMP-CQSZACIVSA-N 0 3 388.476 0.415 20 0 GCADHN CC(C)(C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)F ZINC001573773332 948979629 /nfs/dbraw/zinc/97/96/29/948979629.db2.gz KZESJLXLQCTDAQ-JTQLQIEISA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574926262 948991355 /nfs/dbraw/zinc/99/13/55/948991355.db2.gz MENMOLRDULBAAY-LLVKDONJSA-N 0 3 375.408 0.223 20 0 GCADHN CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)[NH+]1CCCC1 ZINC001573773757 948993221 /nfs/dbraw/zinc/99/32/21/948993221.db2.gz GVVIPLBFICFUIR-UHFFFAOYSA-N 0 3 385.476 0.982 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574926790 949023701 /nfs/dbraw/zinc/02/37/01/949023701.db2.gz XNEDHJUTDWMFAP-GFCCVEGCSA-N 0 3 389.435 0.613 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574926790 949023721 /nfs/dbraw/zinc/02/37/21/949023721.db2.gz XNEDHJUTDWMFAP-GFCCVEGCSA-N 0 3 389.435 0.613 20 0 GCADHN C[C@@H](F)CC[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575248094 949061845 /nfs/dbraw/zinc/06/18/45/949061845.db2.gz NFXYSSBJEWFKLG-GFCCVEGCSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@@H](F)CC[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575248094 949061823 /nfs/dbraw/zinc/06/18/23/949061823.db2.gz NFXYSSBJEWFKLG-GFCCVEGCSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@H](CNC(=O)COC[C@@H]1CCCO1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574929217 949082398 /nfs/dbraw/zinc/08/23/98/949082398.db2.gz AVUVKCYFRYUILG-DOMZBBRYSA-N 0 3 392.435 0.796 20 0 GCADHN C[C@H](CNC(=O)COC[C@@H]1CCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574929217 949082420 /nfs/dbraw/zinc/08/24/20/949082420.db2.gz AVUVKCYFRYUILG-DOMZBBRYSA-N 0 3 392.435 0.796 20 0 GCADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1ncccc1-c1nn[n-]n1 ZINC001574929169 949083000 /nfs/dbraw/zinc/08/30/00/949083000.db2.gz AGQYATGAVXPVOF-CYBMUJFWSA-N 0 3 388.476 0.537 20 0 GCADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1ncccc1-c1nnn[n-]1 ZINC001574929169 949082978 /nfs/dbraw/zinc/08/29/78/949082978.db2.gz AGQYATGAVXPVOF-CYBMUJFWSA-N 0 3 388.476 0.537 20 0 GCADHN CC(C)c1nocc1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574441911 949083187 /nfs/dbraw/zinc/08/31/87/949083187.db2.gz FBBUUGYAUJDIBJ-CQSZACIVSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1nocc1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574441911 949083206 /nfs/dbraw/zinc/08/32/06/949083206.db2.gz FBBUUGYAUJDIBJ-CQSZACIVSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[NH+]1CCCC1 ZINC001573786989 949159951 /nfs/dbraw/zinc/15/99/51/949159951.db2.gz IILLULOYXQSPSO-HAQNSBGRSA-N 0 3 386.460 0.446 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573787780 949187019 /nfs/dbraw/zinc/18/70/19/949187019.db2.gz AMTPGMGPYFJPGO-AWEZNQCLSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573787780 949187030 /nfs/dbraw/zinc/18/70/30/949187030.db2.gz AMTPGMGPYFJPGO-AWEZNQCLSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573787780 949187043 /nfs/dbraw/zinc/18/70/43/949187043.db2.gz AMTPGMGPYFJPGO-AWEZNQCLSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573787780 949187059 /nfs/dbraw/zinc/18/70/59/949187059.db2.gz AMTPGMGPYFJPGO-AWEZNQCLSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573788552 949201858 /nfs/dbraw/zinc/20/18/58/949201858.db2.gz MFOFVIDCTSLWIK-QKDCVEJESA-N 0 3 383.456 0.172 20 0 GCADHN CC(C)(C(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573788552 949201876 /nfs/dbraw/zinc/20/18/76/949201876.db2.gz MFOFVIDCTSLWIK-QKDCVEJESA-N 0 3 383.456 0.172 20 0 GCADHN CC(C)(C(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001573788552 949201890 /nfs/dbraw/zinc/20/18/90/949201890.db2.gz MFOFVIDCTSLWIK-QKDCVEJESA-N 0 3 383.456 0.172 20 0 GCADHN CC(C)(C(N)=O)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001573788552 949201905 /nfs/dbraw/zinc/20/19/05/949201905.db2.gz MFOFVIDCTSLWIK-QKDCVEJESA-N 0 3 383.456 0.172 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001574451997 949252666 /nfs/dbraw/zinc/25/26/66/949252666.db2.gz DKDKQWNFTCUYIC-LBPRGKRZSA-N 0 3 390.473 0.586 20 0 GCADHN C[C@@H]1CCCC[C@@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576153760 949297324 /nfs/dbraw/zinc/29/73/24/949297324.db2.gz AUQNOZUHKVKBQT-XIKOKIGWSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574703131 949311162 /nfs/dbraw/zinc/31/11/62/949311162.db2.gz RJUBUWZQSGQDOG-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)n1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC001574457278 949320362 /nfs/dbraw/zinc/32/03/62/949320362.db2.gz FPZORXCDKRCIQT-HNNXBMFYSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC001574457278 949320389 /nfs/dbraw/zinc/32/03/89/949320389.db2.gz FPZORXCDKRCIQT-HNNXBMFYSA-N 0 3 384.444 0.525 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574705431 949423952 /nfs/dbraw/zinc/42/39/52/949423952.db2.gz SVIIVBQLLRWRAB-AAEUAGOBSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCC(=O)NC1 ZINC001575535731 949452779 /nfs/dbraw/zinc/45/27/79/949452779.db2.gz AETUXBRQIOTFGB-DNVCBOLYSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCNC(=O)C1 ZINC001575535747 949453740 /nfs/dbraw/zinc/45/37/40/949453740.db2.gz AOWAVTIANVAART-BEFAXECRSA-N 0 3 383.456 0.474 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573804631 949469891 /nfs/dbraw/zinc/46/98/91/949469891.db2.gz YMFOJOZWRKRJEO-SHTZXODSSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573804631 949469899 /nfs/dbraw/zinc/46/98/99/949469899.db2.gz YMFOJOZWRKRJEO-SHTZXODSSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574948692 949473956 /nfs/dbraw/zinc/47/39/56/949473956.db2.gz LXQKFVUOAPLLKQ-GFCCVEGCSA-N 0 3 381.444 0.630 20 0 GCADHN C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574948692 949473970 /nfs/dbraw/zinc/47/39/70/949473970.db2.gz LXQKFVUOAPLLKQ-GFCCVEGCSA-N 0 3 381.444 0.630 20 0 GCADHN C[C@@H](CC(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574470830 949518320 /nfs/dbraw/zinc/51/83/20/949518320.db2.gz HJMGHLWLSDZDAF-QGLTVNCISA-N 0 3 386.460 0.393 20 0 GCADHN C[C@@H](CC(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574470830 949518334 /nfs/dbraw/zinc/51/83/34/949518334.db2.gz HJMGHLWLSDZDAF-QGLTVNCISA-N 0 3 386.460 0.393 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574950228 949533305 /nfs/dbraw/zinc/53/33/05/949533305.db2.gz MVEPZNLACQDLQR-CJNGLKHVSA-N 0 3 385.472 0.860 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574711452 949534917 /nfs/dbraw/zinc/53/49/17/949534917.db2.gz HJSPZZXJTAEHBO-AAEUAGOBSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574711452 949534935 /nfs/dbraw/zinc/53/49/35/949534935.db2.gz HJSPZZXJTAEHBO-AAEUAGOBSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574711397 949538123 /nfs/dbraw/zinc/53/81/23/949538123.db2.gz GRKNTZUNYBBIRY-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575872553 949546945 /nfs/dbraw/zinc/54/69/45/949546945.db2.gz JQIVPRFWGQMRCS-DZGCQCFKSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575872553 949546967 /nfs/dbraw/zinc/54/69/67/949546967.db2.gz JQIVPRFWGQMRCS-DZGCQCFKSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711867 949562085 /nfs/dbraw/zinc/56/20/85/949562085.db2.gz NJIGDPPLIFXFRP-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574711867 949562103 /nfs/dbraw/zinc/56/21/03/949562103.db2.gz NJIGDPPLIFXFRP-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574711931 949564703 /nfs/dbraw/zinc/56/47/03/949564703.db2.gz OFKBBQPDFFYHRX-GXTWGEPZSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574711931 949564707 /nfs/dbraw/zinc/56/47/07/949564707.db2.gz OFKBBQPDFFYHRX-GXTWGEPZSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574711997 949571060 /nfs/dbraw/zinc/57/10/60/949571060.db2.gz PKLUQOULEBTUGY-AAEUAGOBSA-N 0 3 379.490 0.195 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1COCCO1 ZINC001573810812 949579723 /nfs/dbraw/zinc/57/97/23/949579723.db2.gz DCHVVUSCHYTOEE-HZPDHXFCSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1COCCO1 ZINC001573810812 949579741 /nfs/dbraw/zinc/57/97/41/949579741.db2.gz DCHVVUSCHYTOEE-HZPDHXFCSA-N 0 3 388.472 0.903 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574956538 949581545 /nfs/dbraw/zinc/58/15/45/949581545.db2.gz KFOZJKSTZMJBNU-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574956538 949581560 /nfs/dbraw/zinc/58/15/60/949581560.db2.gz KFOZJKSTZMJBNU-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873976 949594526 /nfs/dbraw/zinc/59/45/26/949594526.db2.gz DCXYWMQIMFJOSU-GXTWGEPZSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873976 949594551 /nfs/dbraw/zinc/59/45/51/949594551.db2.gz DCXYWMQIMFJOSU-GXTWGEPZSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873978 949596259 /nfs/dbraw/zinc/59/62/59/949596259.db2.gz DCXYWMQIMFJOSU-OCCSQVGLSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873978 949596272 /nfs/dbraw/zinc/59/62/72/949596272.db2.gz DCXYWMQIMFJOSU-OCCSQVGLSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874107 949600299 /nfs/dbraw/zinc/60/02/99/949600299.db2.gz RFHFOGVQCJAGTK-RISCZKNCSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575874083 949600915 /nfs/dbraw/zinc/60/09/15/949600915.db2.gz QYSMYUONFMHVIB-DGCLKSJQSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874083 949600926 /nfs/dbraw/zinc/60/09/26/949600926.db2.gz QYSMYUONFMHVIB-DGCLKSJQSA-N 0 3 386.460 0.256 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573811508 949601457 /nfs/dbraw/zinc/60/14/57/949601457.db2.gz LBBMHCRBFVVXQT-KBPBESRZSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573811508 949601477 /nfs/dbraw/zinc/60/14/77/949601477.db2.gz LBBMHCRBFVVXQT-KBPBESRZSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575271065 949611554 /nfs/dbraw/zinc/61/15/54/949611554.db2.gz HUDUTPAKABIPDH-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575271065 949611562 /nfs/dbraw/zinc/61/15/62/949611562.db2.gz HUDUTPAKABIPDH-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874703 949618966 /nfs/dbraw/zinc/61/89/66/949618966.db2.gz UDZVHLCRYCWPQK-NWDGAFQWSA-N 0 3 384.444 0.010 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575271583 949624871 /nfs/dbraw/zinc/62/48/71/949624871.db2.gz LBRLJVQRRLJBRC-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575271583 949624886 /nfs/dbraw/zinc/62/48/86/949624886.db2.gz LBRLJVQRRLJBRC-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1cnnn1 ZINC001573813333 949630671 /nfs/dbraw/zinc/63/06/71/949630671.db2.gz YIVZEFDWZYLDGS-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1cnnn1 ZINC001573813333 949630677 /nfs/dbraw/zinc/63/06/77/949630677.db2.gz YIVZEFDWZYLDGS-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574714565 949633357 /nfs/dbraw/zinc/63/33/57/949633357.db2.gz FMARAINJQOTLQG-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574714565 949633373 /nfs/dbraw/zinc/63/33/73/949633373.db2.gz FMARAINJQOTLQG-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC1(C(=O)N2CCN([C@H]3CCN(c4ccncc4-c4nn[nH]n4)C3)CC2)CC1 ZINC001575547629 949633968 /nfs/dbraw/zinc/63/39/68/949633968.db2.gz FFWANMFMWVZQLZ-AWEZNQCLSA-N 0 3 382.472 0.785 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CCNC(N)=O ZINC001573813532 949635498 /nfs/dbraw/zinc/63/54/98/949635498.db2.gz ZUJLYERZYVTBLS-CQSZACIVSA-N 0 3 388.476 0.546 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CCNC(N)=O ZINC001573813532 949635516 /nfs/dbraw/zinc/63/55/16/949635516.db2.gz ZUJLYERZYVTBLS-CQSZACIVSA-N 0 3 388.476 0.546 20 0 GCADHN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576168546 949643608 /nfs/dbraw/zinc/64/36/08/949643608.db2.gz BUMJYRGYEPPTFY-WFASDCNBSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715185 949646597 /nfs/dbraw/zinc/64/65/97/949646597.db2.gz HJALMNKYMVOZDU-KGLIPLIRSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715185 949646612 /nfs/dbraw/zinc/64/66/12/949646612.db2.gz HJALMNKYMVOZDU-KGLIPLIRSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715403 949650210 /nfs/dbraw/zinc/65/02/10/949650210.db2.gz BYWZTEMUCGZLGX-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575548055 949654469 /nfs/dbraw/zinc/65/44/69/949654469.db2.gz NZFBMHWOHSGGNH-AUUYWEPGSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575548055 949654485 /nfs/dbraw/zinc/65/44/85/949654485.db2.gz NZFBMHWOHSGGNH-AUUYWEPGSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575273299 949658586 /nfs/dbraw/zinc/65/85/86/949658586.db2.gz VROBLDAPQURQJT-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575273299 949658597 /nfs/dbraw/zinc/65/85/97/949658597.db2.gz VROBLDAPQURQJT-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575273859 949673128 /nfs/dbraw/zinc/67/31/28/949673128.db2.gz YNOYZDTWJLPCQZ-WFASDCNBSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575273859 949673142 /nfs/dbraw/zinc/67/31/42/949673142.db2.gz YNOYZDTWJLPCQZ-WFASDCNBSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575877709 949673084 /nfs/dbraw/zinc/67/30/84/949673084.db2.gz MNEFWNJGAOMISN-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575877709 949673096 /nfs/dbraw/zinc/67/30/96/949673096.db2.gz MNEFWNJGAOMISN-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716282 949682919 /nfs/dbraw/zinc/68/29/19/949682919.db2.gz IHEHVBOUKGAUIA-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716282 949682930 /nfs/dbraw/zinc/68/29/30/949682930.db2.gz IHEHVBOUKGAUIA-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716282 949682943 /nfs/dbraw/zinc/68/29/43/949682943.db2.gz IHEHVBOUKGAUIA-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716282 949682955 /nfs/dbraw/zinc/68/29/55/949682955.db2.gz IHEHVBOUKGAUIA-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574716463 949696744 /nfs/dbraw/zinc/69/67/44/949696744.db2.gz OZACHMRTKZEVNI-XJKSGUPXSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574958977 949700538 /nfs/dbraw/zinc/70/05/38/949700538.db2.gz PAPAHSWDIPUSRC-AFAVFJNCSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574716791 949706802 /nfs/dbraw/zinc/70/68/02/949706802.db2.gz LYMMEQBBXJQQPL-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574716791 949706823 /nfs/dbraw/zinc/70/68/23/949706823.db2.gz LYMMEQBBXJQQPL-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481149 949767161 /nfs/dbraw/zinc/76/71/61/949767161.db2.gz MUODLGHLHHRWLW-OLZOCXBDSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481149 949767172 /nfs/dbraw/zinc/76/71/72/949767172.db2.gz MUODLGHLHHRWLW-OLZOCXBDSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481147 949769480 /nfs/dbraw/zinc/76/94/80/949769480.db2.gz MUODLGHLHHRWLW-CHWSQXEVSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481147 949769501 /nfs/dbraw/zinc/76/95/01/949769501.db2.gz MUODLGHLHHRWLW-CHWSQXEVSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575882734 949787330 /nfs/dbraw/zinc/78/73/30/949787330.db2.gz NORRYEZPTOBRPC-WCQYABFASA-N 0 3 384.444 0.010 20 0 GCADHN C[C@H](CN(C)C(=O)CCNC(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574720491 949792319 /nfs/dbraw/zinc/79/23/19/949792319.db2.gz APUVFQQGZNZNCV-SNVBAGLBSA-N 0 3 378.412 0.001 20 0 GCADHN C[C@H](CN(C)C(=O)CCNC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574720491 949792338 /nfs/dbraw/zinc/79/23/38/949792338.db2.gz APUVFQQGZNZNCV-SNVBAGLBSA-N 0 3 378.412 0.001 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281289 949805376 /nfs/dbraw/zinc/80/53/76/949805376.db2.gz FGWVWNBXJYCJKJ-QWHCGFSZSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281289 949805400 /nfs/dbraw/zinc/80/54/00/949805400.db2.gz FGWVWNBXJYCJKJ-QWHCGFSZSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575281387 949807352 /nfs/dbraw/zinc/80/73/52/949807352.db2.gz FQBQFBVPLQLKRL-CHWSQXEVSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575281387 949807378 /nfs/dbraw/zinc/80/73/78/949807378.db2.gz FQBQFBVPLQLKRL-CHWSQXEVSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)NC(N)=O ZINC001574481885 949809736 /nfs/dbraw/zinc/80/97/36/949809736.db2.gz XAHJBJASZNXKKU-ZYHUDNBSSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482058 949819690 /nfs/dbraw/zinc/81/96/90/949819690.db2.gz ZXPXKAPAJCILGC-DOMZBBRYSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482058 949819709 /nfs/dbraw/zinc/81/97/09/949819709.db2.gz ZXPXKAPAJCILGC-DOMZBBRYSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575883574 949821096 /nfs/dbraw/zinc/82/10/96/949821096.db2.gz RLGAAOJFIKSJNR-YPMHNXCESA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575883574 949821114 /nfs/dbraw/zinc/82/11/14/949821114.db2.gz RLGAAOJFIKSJNR-YPMHNXCESA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574721502 949823087 /nfs/dbraw/zinc/82/30/87/949823087.db2.gz MPOQOZPJJMLYPT-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574722162 949833990 /nfs/dbraw/zinc/83/39/90/949833990.db2.gz QLAUYKDWRSASJD-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574722162 949834015 /nfs/dbraw/zinc/83/40/15/949834015.db2.gz QLAUYKDWRSASJD-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCC1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574724079 949866548 /nfs/dbraw/zinc/86/65/48/949866548.db2.gz FHACPDAOZKFBBU-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574484426 949878788 /nfs/dbraw/zinc/87/87/88/949878788.db2.gz GFXMJMWAUHYQHH-WFASDCNBSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574484426 949878816 /nfs/dbraw/zinc/87/88/16/949878816.db2.gz GFXMJMWAUHYQHH-WFASDCNBSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](C[NH2+][C@@H](C)C(=O)N1CCC(C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576178336 949886646 /nfs/dbraw/zinc/88/66/46/949886646.db2.gz HSSRBWMBFSIXDR-OLZOCXBDSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574725719 949908517 /nfs/dbraw/zinc/90/85/17/949908517.db2.gz BPMUCGAAKOKSRK-WFASDCNBSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574725719 949908540 /nfs/dbraw/zinc/90/85/40/949908540.db2.gz BPMUCGAAKOKSRK-WFASDCNBSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574726021 949923621 /nfs/dbraw/zinc/92/36/21/949923621.db2.gz FPHCAZZLNCHQRN-PBHICJAKSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574487626 949930285 /nfs/dbraw/zinc/93/02/85/949930285.db2.gz AMMZMUHMTMNLSW-XIKOKIGWSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574487626 949930304 /nfs/dbraw/zinc/93/03/04/949930304.db2.gz AMMZMUHMTMNLSW-XIKOKIGWSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574487645 949930353 /nfs/dbraw/zinc/93/03/53/949930353.db2.gz APFCHPYUFAAHFP-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574487645 949930369 /nfs/dbraw/zinc/93/03/69/949930369.db2.gz APFCHPYUFAAHFP-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574726340 949934597 /nfs/dbraw/zinc/93/45/97/949934597.db2.gz ZNFDZGORIHMELP-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574726340 949934615 /nfs/dbraw/zinc/93/46/15/949934615.db2.gz ZNFDZGORIHMELP-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574488098 949944464 /nfs/dbraw/zinc/94/44/64/949944464.db2.gz DJFDKRLDRGKORE-TYNCELHUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574488098 949944474 /nfs/dbraw/zinc/94/44/74/949944474.db2.gz DJFDKRLDRGKORE-TYNCELHUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@@H](CC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)NC(N)=O ZINC001574488404 949948483 /nfs/dbraw/zinc/94/84/83/949948483.db2.gz FJCFYFDBGABCRR-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)NC(N)=O ZINC001574488404 949948502 /nfs/dbraw/zinc/94/85/02/949948502.db2.gz FJCFYFDBGABCRR-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574727466 949964157 /nfs/dbraw/zinc/96/41/57/949964157.db2.gz TZUZSHYQDYRGNG-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574147983 949968508 /nfs/dbraw/zinc/96/85/08/949968508.db2.gz HZUXYFSLOMLXKY-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574147983 949968526 /nfs/dbraw/zinc/96/85/26/949968526.db2.gz HZUXYFSLOMLXKY-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574147983 949968538 /nfs/dbraw/zinc/96/85/38/949968538.db2.gz HZUXYFSLOMLXKY-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574147983 949968550 /nfs/dbraw/zinc/96/85/50/949968550.db2.gz HZUXYFSLOMLXKY-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727740 949979724 /nfs/dbraw/zinc/97/97/24/949979724.db2.gz YSPRPIURZAOMBI-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727740 949979740 /nfs/dbraw/zinc/97/97/40/949979740.db2.gz YSPRPIURZAOMBI-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001575286381 949980638 /nfs/dbraw/zinc/98/06/38/949980638.db2.gz VUIZSMNGFQNSNH-NEPJUHHUSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001575286381 949980661 /nfs/dbraw/zinc/98/06/61/949980661.db2.gz VUIZSMNGFQNSNH-NEPJUHHUSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1ccnc1 ZINC001574490418 949995966 /nfs/dbraw/zinc/99/59/66/949995966.db2.gz RGNONSIAINFISQ-LRDDRELGSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1ccnc1 ZINC001574490419 949998103 /nfs/dbraw/zinc/99/81/03/949998103.db2.gz RGNONSIAINFISQ-MLGOLLRUSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576181631 950015046 /nfs/dbraw/zinc/01/50/46/950015046.db2.gz VJJQMJMLTWOMJH-ZDUSSCGKSA-N 0 3 388.476 0.600 20 0 GCADHN C[C@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576181631 950015068 /nfs/dbraw/zinc/01/50/68/950015068.db2.gz VJJQMJMLTWOMJH-ZDUSSCGKSA-N 0 3 388.476 0.600 20 0 GCADHN C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CCC2)CCNC1=O ZINC001575574922 950036882 /nfs/dbraw/zinc/03/68/82/950036882.db2.gz CEDPRGRAGLGQHD-GOSISDBHSA-N 0 3 383.456 0.521 20 0 GCADHN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575574901 950038399 /nfs/dbraw/zinc/03/83/99/950038399.db2.gz BJYRFFNSWZYVHH-LBPRGKRZSA-N 0 3 380.399 0.869 20 0 GCADHN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575574901 950038419 /nfs/dbraw/zinc/03/84/19/950038419.db2.gz BJYRFFNSWZYVHH-LBPRGKRZSA-N 0 3 380.399 0.869 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCC1 ZINC001574976361 950068631 /nfs/dbraw/zinc/06/86/31/950068631.db2.gz RBRKGWZWNGLOPC-IUODEOHRSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@]1(C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575576850 950073455 /nfs/dbraw/zinc/07/34/55/950073455.db2.gz SNTSNHCHQAXBGS-GOSISDBHSA-N 0 3 383.456 0.521 20 0 GCADHN C[C@@]1(C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575576850 950073481 /nfs/dbraw/zinc/07/34/81/950073481.db2.gz SNTSNHCHQAXBGS-GOSISDBHSA-N 0 3 383.456 0.521 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574732867 950078266 /nfs/dbraw/zinc/07/82/66/950078266.db2.gz LKEXILULXPCSHI-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574151578 950086784 /nfs/dbraw/zinc/08/67/84/950086784.db2.gz VOTXJEPEKQIUQF-HUUCEWRRSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574151578 950086808 /nfs/dbraw/zinc/08/68/08/950086808.db2.gz VOTXJEPEKQIUQF-HUUCEWRRSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1cncn1 ZINC001574151605 950090529 /nfs/dbraw/zinc/09/05/29/950090529.db2.gz WCVIPYSYYYFKEN-MRXNPFEDSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1cncn1 ZINC001574151605 950090552 /nfs/dbraw/zinc/09/05/52/950090552.db2.gz WCVIPYSYYYFKEN-MRXNPFEDSA-N 0 3 383.460 0.779 20 0 GCADHN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001575577917 950091639 /nfs/dbraw/zinc/09/16/39/950091639.db2.gz YGVRPRSBTARGQC-CYBMUJFWSA-N 0 3 380.399 0.869 20 0 GCADHN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001575577917 950091660 /nfs/dbraw/zinc/09/16/60/950091660.db2.gz YGVRPRSBTARGQC-CYBMUJFWSA-N 0 3 380.399 0.869 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001574976793 950100005 /nfs/dbraw/zinc/10/00/05/950100005.db2.gz AVDLQDWDDSTEQW-DGCLKSJQSA-N 0 3 383.412 0.743 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)Cn1cncn1 ZINC001574152841 950121477 /nfs/dbraw/zinc/12/14/77/950121477.db2.gz KMACZLMPROZICX-HNNXBMFYSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)Cn1cncn1 ZINC001574152841 950121494 /nfs/dbraw/zinc/12/14/94/950121494.db2.gz KMACZLMPROZICX-HNNXBMFYSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@H](CC(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574493390 950125929 /nfs/dbraw/zinc/12/59/29/950125929.db2.gz GHFPKXRMHAKOLB-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574493390 950125938 /nfs/dbraw/zinc/12/59/38/950125938.db2.gz GHFPKXRMHAKOLB-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574493391 950126613 /nfs/dbraw/zinc/12/66/13/950126613.db2.gz GHFPKXRMHAKOLB-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574493391 950126626 /nfs/dbraw/zinc/12/66/26/950126626.db2.gz GHFPKXRMHAKOLB-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576184601 950132996 /nfs/dbraw/zinc/13/29/96/950132996.db2.gz WEDCHTCGILDANB-JSGCOSHPSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576184601 950133009 /nfs/dbraw/zinc/13/30/09/950133009.db2.gz WEDCHTCGILDANB-JSGCOSHPSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574734228 950134116 /nfs/dbraw/zinc/13/41/16/950134116.db2.gz KZHDLZLIQRYCJC-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574734228 950134127 /nfs/dbraw/zinc/13/41/27/950134127.db2.gz KZHDLZLIQRYCJC-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574734881 950150145 /nfs/dbraw/zinc/15/01/45/950150145.db2.gz UGXBYDTWUIQNJK-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576190392 950163344 /nfs/dbraw/zinc/16/33/44/950163344.db2.gz ARGUYYXPTWKKGM-OCCSQVGLSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576190392 950163351 /nfs/dbraw/zinc/16/33/51/950163351.db2.gz ARGUYYXPTWKKGM-OCCSQVGLSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001574738923 950177727 /nfs/dbraw/zinc/17/77/27/950177727.db2.gz JDXNQBSRLMAANJ-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001574738923 950177744 /nfs/dbraw/zinc/17/77/44/950177744.db2.gz JDXNQBSRLMAANJ-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576191014 950180510 /nfs/dbraw/zinc/18/05/10/950180510.db2.gz FYHBWXONWOFSIW-JSGCOSHPSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576191014 950180521 /nfs/dbraw/zinc/18/05/21/950180521.db2.gz FYHBWXONWOFSIW-JSGCOSHPSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)NC(C)(C)C ZINC001574982843 950189032 /nfs/dbraw/zinc/18/90/32/950189032.db2.gz HCFTXHAVCLGKOR-GHMZBOCLSA-N 0 3 376.465 0.454 20 0 GCADHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)NC(C)(C)C ZINC001574982843 950189039 /nfs/dbraw/zinc/18/90/39/950189039.db2.gz HCFTXHAVCLGKOR-GHMZBOCLSA-N 0 3 376.465 0.454 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)n1 ZINC001575900246 950190469 /nfs/dbraw/zinc/19/04/69/950190469.db2.gz CPHIGFWGAXYOQZ-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)n1 ZINC001575900246 950190479 /nfs/dbraw/zinc/19/04/79/950190479.db2.gz CPHIGFWGAXYOQZ-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CCn1cc(Cl)cn1 ZINC001574739232 950191432 /nfs/dbraw/zinc/19/14/32/950191432.db2.gz NIHDFOYRYUCVIP-SNVBAGLBSA-N 0 3 377.840 0.795 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983325 950212421 /nfs/dbraw/zinc/21/24/21/950212421.db2.gz NKJSHGSIOHRMQH-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983325 950212440 /nfs/dbraw/zinc/21/24/40/950212440.db2.gz NKJSHGSIOHRMQH-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191854 950215954 /nfs/dbraw/zinc/21/59/54/950215954.db2.gz KOGYBTNCZPKCKQ-GXTWGEPZSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnn(C)n1 ZINC001575901137 950220435 /nfs/dbraw/zinc/22/04/35/950220435.db2.gz LPZNOUNTHGSYAI-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H]([NH2+]CC(=O)N(C)CC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901471 950231977 /nfs/dbraw/zinc/23/19/77/950231977.db2.gz NYSOUVQBLFHNTB-FZMZJTMJSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574741162 950234377 /nfs/dbraw/zinc/23/43/77/950234377.db2.gz HEIUQVKSLJBAPR-FZQKWOKYSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574741162 950234401 /nfs/dbraw/zinc/23/44/01/950234401.db2.gz HEIUQVKSLJBAPR-FZQKWOKYSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)CC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901472 950235706 /nfs/dbraw/zinc/23/57/06/950235706.db2.gz NYSOUVQBLFHNTB-RISCZKNCSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574983813 950241370 /nfs/dbraw/zinc/24/13/70/950241370.db2.gz SBZDITCJKCZDNY-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574983813 950241388 /nfs/dbraw/zinc/24/13/88/950241388.db2.gz SBZDITCJKCZDNY-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574983813 950241406 /nfs/dbraw/zinc/24/14/06/950241406.db2.gz SBZDITCJKCZDNY-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574983813 950241424 /nfs/dbraw/zinc/24/14/24/950241424.db2.gz SBZDITCJKCZDNY-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983934 950245635 /nfs/dbraw/zinc/24/56/35/950245635.db2.gz SMVUAURKVXVENI-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983934 950245655 /nfs/dbraw/zinc/24/56/55/950245655.db2.gz SMVUAURKVXVENI-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574741545 950245771 /nfs/dbraw/zinc/24/57/71/950245771.db2.gz JCPDXJNWYUPAGV-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574741545 950245790 /nfs/dbraw/zinc/24/57/90/950245790.db2.gz JCPDXJNWYUPAGV-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cnnn1C ZINC001575901900 950246657 /nfs/dbraw/zinc/24/66/57/950246657.db2.gz RKMDJZANMBUCRW-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cnnn1C ZINC001575901900 950246674 /nfs/dbraw/zinc/24/66/74/950246674.db2.gz RKMDJZANMBUCRW-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573846231 950246791 /nfs/dbraw/zinc/24/67/91/950246791.db2.gz PIOATHCIBFBJRK-LBPRGKRZSA-N 0 3 388.476 0.409 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573846107 950247231 /nfs/dbraw/zinc/24/72/31/950247231.db2.gz OBUKCXVACDKIRD-HAQNSBGRSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1ccnc1 ZINC001574497904 950251269 /nfs/dbraw/zinc/25/12/69/950251269.db2.gz GABLOHOHZZNJEV-NWDGAFQWSA-N 0 3 390.473 0.343 20 0 GCADHN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1ccnc1 ZINC001574497904 950251284 /nfs/dbraw/zinc/25/12/84/950251284.db2.gz GABLOHOHZZNJEV-NWDGAFQWSA-N 0 3 390.473 0.343 20 0 GCADHN CC1CC[NH+](CC(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001576192640 950255463 /nfs/dbraw/zinc/25/54/63/950255463.db2.gz OGIOPESWDFNBFK-UHFFFAOYSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cn(C)nn1 ZINC001575902444 950257779 /nfs/dbraw/zinc/25/77/79/950257779.db2.gz UYQSWIKQKJUUJX-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575906017 950302748 /nfs/dbraw/zinc/30/27/48/950302748.db2.gz FYXZDYGBIIGKAU-DYOCQVBASA-N 0 3 386.431 0.977 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CN1CCCC1=O ZINC001575906525 950316192 /nfs/dbraw/zinc/31/61/92/950316192.db2.gz ISXDVCDQIAXJBK-CZUORRHYSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CN1CCCC1=O ZINC001575906525 950316214 /nfs/dbraw/zinc/31/62/14/950316214.db2.gz ISXDVCDQIAXJBK-CZUORRHYSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCCC(N)=O ZINC001575906519 950318070 /nfs/dbraw/zinc/31/80/70/950318070.db2.gz ISDBRDJUDFKTCP-ABAIWWIYSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCCC(N)=O ZINC001575906519 950318089 /nfs/dbraw/zinc/31/80/89/950318089.db2.gz ISDBRDJUDFKTCP-ABAIWWIYSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CN1CCOCC1 ZINC001575906894 950322413 /nfs/dbraw/zinc/32/24/13/950322413.db2.gz KKKSSVFIFZDENJ-PBHICJAKSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CN1CCOCC1 ZINC001575906894 950322433 /nfs/dbraw/zinc/32/24/33/950322433.db2.gz KKKSSVFIFZDENJ-PBHICJAKSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576194270 950339209 /nfs/dbraw/zinc/33/92/09/950339209.db2.gz YMRWXBLDNFJZIA-ZDUSSCGKSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576194270 950339229 /nfs/dbraw/zinc/33/92/29/950339229.db2.gz YMRWXBLDNFJZIA-ZDUSSCGKSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H](CC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574501704 950342794 /nfs/dbraw/zinc/34/27/94/950342794.db2.gz GNUUDPRGYYCHJC-SNVBAGLBSA-N 0 3 378.412 0.049 20 0 GCADHN C[C@H](CC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574501704 950342822 /nfs/dbraw/zinc/34/28/22/950342822.db2.gz GNUUDPRGYYCHJC-SNVBAGLBSA-N 0 3 378.412 0.049 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574744605 950358231 /nfs/dbraw/zinc/35/82/31/950358231.db2.gz ZVVUIDLRWQLTHP-WQAKAFBOSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cncn1 ZINC001575908266 950360637 /nfs/dbraw/zinc/36/06/37/950360637.db2.gz TWRVHXAAVJJYNA-NHYWBVRUSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cncn1 ZINC001575908266 950360655 /nfs/dbraw/zinc/36/06/55/950360655.db2.gz TWRVHXAAVJJYNA-NHYWBVRUSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576196708 950371523 /nfs/dbraw/zinc/37/15/23/950371523.db2.gz GDJOCQARHFCDMS-QWHCGFSZSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576196708 950371540 /nfs/dbraw/zinc/37/15/40/950371540.db2.gz GDJOCQARHFCDMS-QWHCGFSZSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196712 950373249 /nfs/dbraw/zinc/37/32/49/950373249.db2.gz GGRPGXNXODJXLQ-KBPBESRZSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576196703 950373450 /nfs/dbraw/zinc/37/34/50/950373450.db2.gz GDJOCQARHFCDMS-CHWSQXEVSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576196703 950373474 /nfs/dbraw/zinc/37/34/74/950373474.db2.gz GDJOCQARHFCDMS-CHWSQXEVSA-N 0 3 386.460 0.115 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573855375 950374506 /nfs/dbraw/zinc/37/45/06/950374506.db2.gz SDLZGQWLXLKXNQ-UHFFFAOYSA-N 0 3 388.476 0.742 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576196956 950377852 /nfs/dbraw/zinc/37/78/52/950377852.db2.gz KHPXVFUAKMKXNX-ZDUSSCGKSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576196956 950377872 /nfs/dbraw/zinc/37/78/72/950377872.db2.gz KHPXVFUAKMKXNX-ZDUSSCGKSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCC[NH+]1CCCC1 ZINC001574990591 950377908 /nfs/dbraw/zinc/37/79/08/950377908.db2.gz DDNXYPAAZHXTJE-ZDUSSCGKSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCC[NH+]1CCCC1 ZINC001574990591 950377929 /nfs/dbraw/zinc/37/79/29/950377929.db2.gz DDNXYPAAZHXTJE-ZDUSSCGKSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196915 950380683 /nfs/dbraw/zinc/38/06/83/950380683.db2.gz JACBDBGLDVEODL-KBPBESRZSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196915 950380702 /nfs/dbraw/zinc/38/07/02/950380702.db2.gz JACBDBGLDVEODL-KBPBESRZSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575909294 950392191 /nfs/dbraw/zinc/39/21/91/950392191.db2.gz YPESPMMZPBHQNX-MLGOLLRUSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575909294 950392212 /nfs/dbraw/zinc/39/22/12/950392212.db2.gz YPESPMMZPBHQNX-MLGOLLRUSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576197905 950394968 /nfs/dbraw/zinc/39/49/68/950394968.db2.gz PLVZAOCJWMMQET-ACJLOTCBSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576197905 950394987 /nfs/dbraw/zinc/39/49/87/950394987.db2.gz PLVZAOCJWMMQET-ACJLOTCBSA-N 0 3 385.476 0.649 20 0 GCADHN CC1CC[NH+](CC(=O)N(C)CCCN(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576197917 950398121 /nfs/dbraw/zinc/39/81/21/950398121.db2.gz PMJKWUXCDROZMU-UHFFFAOYSA-N 0 3 387.492 0.673 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576198086 950402718 /nfs/dbraw/zinc/40/27/18/950402718.db2.gz RXFOBIRKCRMICL-ZDUSSCGKSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576198086 950402734 /nfs/dbraw/zinc/40/27/34/950402734.db2.gz RXFOBIRKCRMICL-ZDUSSCGKSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cncn1 ZINC001575909925 950408869 /nfs/dbraw/zinc/40/88/69/950408869.db2.gz JDWKACWFAYASLW-CZUORRHYSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cncn1 ZINC001575909925 950408886 /nfs/dbraw/zinc/40/88/86/950408886.db2.gz JDWKACWFAYASLW-CZUORRHYSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576198468 950409420 /nfs/dbraw/zinc/40/94/20/950409420.db2.gz TUBZRSFXZSUSSA-ZIAGYGMSSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575910369 950416101 /nfs/dbraw/zinc/41/61/01/950416101.db2.gz KHQWZYZZKJEQJT-FZMZJTMJSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575910369 950416113 /nfs/dbraw/zinc/41/61/13/950416113.db2.gz KHQWZYZZKJEQJT-FZMZJTMJSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198913 950420446 /nfs/dbraw/zinc/42/04/46/950420446.db2.gz WQCCYTVUOVASSJ-KBPBESRZSA-N 0 3 385.476 0.283 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198913 950420458 /nfs/dbraw/zinc/42/04/58/950420458.db2.gz WQCCYTVUOVASSJ-KBPBESRZSA-N 0 3 385.476 0.283 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576199308 950423155 /nfs/dbraw/zinc/42/31/55/950423155.db2.gz YHHIXYGIIWDJGS-ZIAGYGMSSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576199308 950423164 /nfs/dbraw/zinc/42/31/64/950423164.db2.gz YHHIXYGIIWDJGS-ZIAGYGMSSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199446 950423757 /nfs/dbraw/zinc/42/37/57/950423757.db2.gz YWGYTMOGXUDKNX-KBPBESRZSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199446 950423769 /nfs/dbraw/zinc/42/37/69/950423769.db2.gz YWGYTMOGXUDKNX-KBPBESRZSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574750481 950425114 /nfs/dbraw/zinc/42/51/14/950425114.db2.gz AYXURLAVKLTEGY-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574750481 950425124 /nfs/dbraw/zinc/42/51/24/950425124.db2.gz AYXURLAVKLTEGY-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574750481 950425133 /nfs/dbraw/zinc/42/51/33/950425133.db2.gz AYXURLAVKLTEGY-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574750481 950425140 /nfs/dbraw/zinc/42/51/40/950425140.db2.gz AYXURLAVKLTEGY-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574750482 950425823 /nfs/dbraw/zinc/42/58/23/950425823.db2.gz AYXURLAVKLTEGY-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574750482 950425836 /nfs/dbraw/zinc/42/58/36/950425836.db2.gz AYXURLAVKLTEGY-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574750482 950425852 /nfs/dbraw/zinc/42/58/52/950425852.db2.gz AYXURLAVKLTEGY-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574750482 950425864 /nfs/dbraw/zinc/42/58/64/950425864.db2.gz AYXURLAVKLTEGY-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCn1cncn1 ZINC001575910627 950426061 /nfs/dbraw/zinc/42/60/61/950426061.db2.gz MNPLWAAZCISGRR-XJKSGUPXSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCn1cncn1 ZINC001575910627 950426073 /nfs/dbraw/zinc/42/60/73/950426073.db2.gz MNPLWAAZCISGRR-XJKSGUPXSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H](CC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)C1CC1 ZINC001574507108 950448984 /nfs/dbraw/zinc/44/89/84/950448984.db2.gz CTOFFYIWMRMIGY-CQSZACIVSA-N 0 3 384.488 0.936 20 0 GCADHN C[C@@H](CC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)C1CC1 ZINC001574507107 950449929 /nfs/dbraw/zinc/44/99/29/950449929.db2.gz CTOFFYIWMRMIGY-AWEZNQCLSA-N 0 3 384.488 0.936 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1nccnc1N ZINC001575911766 950451730 /nfs/dbraw/zinc/45/17/30/950451730.db2.gz PXYNVGGALNSEKX-FZMZJTMJSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1nccnc1N ZINC001575911766 950451738 /nfs/dbraw/zinc/45/17/38/950451738.db2.gz PXYNVGGALNSEKX-FZMZJTMJSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576204049 950452995 /nfs/dbraw/zinc/45/29/95/950452995.db2.gz KISAGKKWJUKUOJ-UKRRQHHQSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1CC[NH+](C)CC1 ZINC001574751994 950469975 /nfs/dbraw/zinc/46/99/75/950469975.db2.gz SNPKWHSUXYOBTK-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001574994432 950478874 /nfs/dbraw/zinc/47/88/74/950478874.db2.gz QYLUJHZCFDHIHN-BBRMVZONSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001574994432 950478888 /nfs/dbraw/zinc/47/88/88/950478888.db2.gz QYLUJHZCFDHIHN-BBRMVZONSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001574994434 950479276 /nfs/dbraw/zinc/47/92/76/950479276.db2.gz QYLUJHZCFDHIHN-CZUORRHYSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001574994434 950479284 /nfs/dbraw/zinc/47/92/84/950479284.db2.gz QYLUJHZCFDHIHN-CZUORRHYSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574752418 950482272 /nfs/dbraw/zinc/48/22/72/950482272.db2.gz CAQPHZWVPIURRJ-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574752418 950482290 /nfs/dbraw/zinc/48/22/90/950482290.db2.gz CAQPHZWVPIURRJ-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574508521 950484263 /nfs/dbraw/zinc/48/42/63/950484263.db2.gz PCIMTJAYWAJODO-MCIONIFRSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCS(C)(=O)=O ZINC001575913874 950485362 /nfs/dbraw/zinc/48/53/62/950485362.db2.gz UNBAPZXYPHOLQF-SWLSCSKDSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575913874 950485376 /nfs/dbraw/zinc/48/53/76/950485376.db2.gz UNBAPZXYPHOLQF-SWLSCSKDSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575914580 950495506 /nfs/dbraw/zinc/49/55/06/950495506.db2.gz VDVQJJVQVNQYCT-SMDDNHRTSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575914580 950495520 /nfs/dbraw/zinc/49/55/20/950495520.db2.gz VDVQJJVQVNQYCT-SMDDNHRTSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CN1CCCC1=O ZINC001575914483 950495687 /nfs/dbraw/zinc/49/56/87/950495687.db2.gz UWEBQVASFSCICC-BBRMVZONSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CN1CCCC1=O ZINC001575914483 950495705 /nfs/dbraw/zinc/49/57/05/950495705.db2.gz UWEBQVASFSCICC-BBRMVZONSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574752917 950503880 /nfs/dbraw/zinc/50/38/80/950503880.db2.gz GDNCWVPXPIPZDD-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574509318 950505192 /nfs/dbraw/zinc/50/51/92/950505192.db2.gz QNMIJTAVTFZSFG-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574509318 950505201 /nfs/dbraw/zinc/50/52/01/950505201.db2.gz QNMIJTAVTFZSFG-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576205269 950509609 /nfs/dbraw/zinc/50/96/09/950509609.db2.gz IDZZZYSEHPJXQS-KGLIPLIRSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576205269 950509624 /nfs/dbraw/zinc/50/96/24/950509624.db2.gz IDZZZYSEHPJXQS-KGLIPLIRSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCC(=O)NC1 ZINC001575609572 950529457 /nfs/dbraw/zinc/52/94/57/950529457.db2.gz YSHPJSQXJKSDIC-DOXZYTNZSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCC(=O)NC1 ZINC001575609572 950529479 /nfs/dbraw/zinc/52/94/79/950529479.db2.gz YSHPJSQXJKSDIC-DOXZYTNZSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574753729 950539447 /nfs/dbraw/zinc/53/94/47/950539447.db2.gz RAPOJUVPWCLWMP-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575916421 950540447 /nfs/dbraw/zinc/54/04/47/950540447.db2.gz ZODVJXIXYCDUIA-RISCZKNCSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575916421 950540468 /nfs/dbraw/zinc/54/04/68/950540468.db2.gz ZODVJXIXYCDUIA-RISCZKNCSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575916419 950541812 /nfs/dbraw/zinc/54/18/12/950541812.db2.gz ZODVJXIXYCDUIA-BXUZGUMPSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575916419 950541832 /nfs/dbraw/zinc/54/18/32/950541832.db2.gz ZODVJXIXYCDUIA-BXUZGUMPSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574512826 950587637 /nfs/dbraw/zinc/58/76/37/950587637.db2.gz DJQHJUSQCXSFKP-NXEZZACHSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574754826 950588344 /nfs/dbraw/zinc/58/83/44/950588344.db2.gz QYQAXWPYYZBMIO-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574754826 950588361 /nfs/dbraw/zinc/58/83/61/950588361.db2.gz QYQAXWPYYZBMIO-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574754826 950588385 /nfs/dbraw/zinc/58/83/85/950588385.db2.gz QYQAXWPYYZBMIO-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574754826 950588405 /nfs/dbraw/zinc/58/84/05/950588405.db2.gz QYQAXWPYYZBMIO-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccncc1-c1nn[nH]n1 ZINC001575000024 950588371 /nfs/dbraw/zinc/58/83/71/950588371.db2.gz OHPAPOMFVNEUBF-NSHDSACASA-N 0 3 385.432 0.211 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC001574756320 950604849 /nfs/dbraw/zinc/60/48/49/950604849.db2.gz ZAHZZIMOJWSHSA-DZGCQCFKSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC001574756320 950604863 /nfs/dbraw/zinc/60/48/63/950604863.db2.gz ZAHZZIMOJWSHSA-DZGCQCFKSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)C[C@H](C)NC(N)=O ZINC001574513683 950616087 /nfs/dbraw/zinc/61/60/87/950616087.db2.gz UVDYKQUPIXLDOC-VHSXEESVSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)C[C@H](C)NC(N)=O ZINC001574513683 950616098 /nfs/dbraw/zinc/61/60/98/950616098.db2.gz UVDYKQUPIXLDOC-VHSXEESVSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574515309 950626880 /nfs/dbraw/zinc/62/68/80/950626880.db2.gz COHXTBGNWQPRFA-JLLWLGSASA-N 0 3 390.423 0.190 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574515309 950626895 /nfs/dbraw/zinc/62/68/95/950626895.db2.gz COHXTBGNWQPRFA-JLLWLGSASA-N 0 3 390.423 0.190 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574759273 950633906 /nfs/dbraw/zinc/63/39/06/950633906.db2.gz MIPWDPJUAJEIET-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574516366 950635709 /nfs/dbraw/zinc/63/57/09/950635709.db2.gz HZZGTEXBUPLLGI-YRGRVCCFSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574516366 950635716 /nfs/dbraw/zinc/63/57/16/950635716.db2.gz HZZGTEXBUPLLGI-YRGRVCCFSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CNC(=O)c1cc(CN(C)C)on1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575001622 950642740 /nfs/dbraw/zinc/64/27/40/950642740.db2.gz WRVQEOUVJMPKDV-JTQLQIEISA-N 0 3 390.473 0.886 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574519434 950680015 /nfs/dbraw/zinc/68/00/15/950680015.db2.gz VPSJAESRIXFHEF-MGPQQGTHSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574760852 950685039 /nfs/dbraw/zinc/68/50/39/950685039.db2.gz NAGYXTAUZNGLRM-SECBINFHSA-N 0 3 376.446 0.618 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574760948 950688723 /nfs/dbraw/zinc/68/87/23/950688723.db2.gz PGSFQSCCWDBUIN-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574760948 950688736 /nfs/dbraw/zinc/68/87/36/950688736.db2.gz PGSFQSCCWDBUIN-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn[nH]c(=O)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574761011 950689183 /nfs/dbraw/zinc/68/91/83/950689183.db2.gz QBPSDCWEOKJKKG-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575005596 950693659 /nfs/dbraw/zinc/69/36/59/950693659.db2.gz INPPEFKAUGDRRO-JTQLQIEISA-N 0 3 386.391 0.503 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574519904 950703662 /nfs/dbraw/zinc/70/36/62/950703662.db2.gz JTMZJORKRAXUIM-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574519904 950703674 /nfs/dbraw/zinc/70/36/74/950703674.db2.gz JTMZJORKRAXUIM-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001575008874 950760320 /nfs/dbraw/zinc/76/03/20/950760320.db2.gz JMDCNOFMEWPQAK-ABAIWWIYSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)CCNC(N)=O ZINC001574520984 950762622 /nfs/dbraw/zinc/76/26/22/950762622.db2.gz CAQICTIHMCMDQL-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)CCNC(N)=O ZINC001574520984 950762638 /nfs/dbraw/zinc/76/26/38/950762638.db2.gz CAQICTIHMCMDQL-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CNC(=O)C1CC1 ZINC001574521110 950770486 /nfs/dbraw/zinc/77/04/86/950770486.db2.gz DDHNJIVBVUHUMI-QWHCGFSZSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CNC(=O)C1CC1 ZINC001574521110 950770504 /nfs/dbraw/zinc/77/05/04/950770504.db2.gz DDHNJIVBVUHUMI-QWHCGFSZSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574521331 950775993 /nfs/dbraw/zinc/77/59/93/950775993.db2.gz FLWWFKMUGNNPPV-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001574521331 950776010 /nfs/dbraw/zinc/77/60/10/950776010.db2.gz FLWWFKMUGNNPPV-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](CN(C)C(=O)c1nccnc1N)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574765130 950777368 /nfs/dbraw/zinc/77/73/68/950777368.db2.gz FQYNXXVGXROMRT-JTQLQIEISA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CNC(=O)C1CC1 ZINC001574523448 950814372 /nfs/dbraw/zinc/81/43/72/950814372.db2.gz NSCYISVFUHJUIJ-QWHCGFSZSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CNC(=O)C1CC1 ZINC001574523448 950814383 /nfs/dbraw/zinc/81/43/83/950814383.db2.gz NSCYISVFUHJUIJ-QWHCGFSZSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCn1cncn1 ZINC001574523617 950816720 /nfs/dbraw/zinc/81/67/20/950816720.db2.gz OKYCTINWBWPNNO-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCn1cncn1 ZINC001574523617 950816740 /nfs/dbraw/zinc/81/67/40/950816740.db2.gz OKYCTINWBWPNNO-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574523792 950830709 /nfs/dbraw/zinc/83/07/09/950830709.db2.gz QMPZBQUSCCDBMC-NEPJUHHUSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574523792 950830725 /nfs/dbraw/zinc/83/07/25/950830725.db2.gz QMPZBQUSCCDBMC-NEPJUHHUSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574523794 950830924 /nfs/dbraw/zinc/83/09/24/950830924.db2.gz QMPZBQUSCCDBMC-RYUDHWBXSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574523794 950830944 /nfs/dbraw/zinc/83/09/44/950830944.db2.gz QMPZBQUSCCDBMC-RYUDHWBXSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@H+](C)C[C@H](O)CC(F)(F)F ZINC001575010852 950835293 /nfs/dbraw/zinc/83/52/93/950835293.db2.gz JTLSAIWYOQYQIU-DTWKUNHWSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC001575010852 950835310 /nfs/dbraw/zinc/83/53/10/950835310.db2.gz JTLSAIWYOQYQIU-DTWKUNHWSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)Cn1cncn1 ZINC001574524298 950851094 /nfs/dbraw/zinc/85/10/94/950851094.db2.gz VFJGTOHBMBBYGB-VXGBXAGGSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)Cn1cncn1 ZINC001574524296 950854089 /nfs/dbraw/zinc/85/40/89/950854089.db2.gz VFJGTOHBMBBYGB-RYUDHWBXSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1cncn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574524403 950859088 /nfs/dbraw/zinc/85/90/88/950859088.db2.gz WFTFVAGUWZMLDW-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1cncn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574524403 950859109 /nfs/dbraw/zinc/85/91/09/950859109.db2.gz WFTFVAGUWZMLDW-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)NC(=O)CCNC(N)=O ZINC001574524702 950867186 /nfs/dbraw/zinc/86/71/86/950867186.db2.gz YPNNMBIFGOGEBJ-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)CCNC(N)=O ZINC001574524702 950867206 /nfs/dbraw/zinc/86/72/06/950867206.db2.gz YPNNMBIFGOGEBJ-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1nccnc1N ZINC001574527433 950888386 /nfs/dbraw/zinc/88/83/86/950888386.db2.gz BPJKESUSOVURJP-NWDGAFQWSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1nccnc1N ZINC001574527433 950888392 /nfs/dbraw/zinc/88/83/92/950888392.db2.gz BPJKESUSOVURJP-NWDGAFQWSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)c1cn(C)nn1 ZINC001574527591 950894755 /nfs/dbraw/zinc/89/47/55/950894755.db2.gz DSMVZFSHKHETSC-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)c1cn(C)nn1 ZINC001574527591 950894764 /nfs/dbraw/zinc/89/47/64/950894764.db2.gz DSMVZFSHKHETSC-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[N@H+](C)C[C@H](O)Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768929 950907317 /nfs/dbraw/zinc/90/73/17/950907317.db2.gz XUWAJNYRXWIFQL-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@H](O)Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768929 950907331 /nfs/dbraw/zinc/90/73/31/950907331.db2.gz XUWAJNYRXWIFQL-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576228079 950930869 /nfs/dbraw/zinc/93/08/69/950930869.db2.gz IUNUAYVFQFIPBZ-ABAIWWIYSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576228079 950930889 /nfs/dbraw/zinc/93/08/89/950930889.db2.gz IUNUAYVFQFIPBZ-ABAIWWIYSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001575015703 950944259 /nfs/dbraw/zinc/94/42/59/950944259.db2.gz VANAVZHBFCJGAJ-LBPRGKRZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001575015703 950944277 /nfs/dbraw/zinc/94/42/77/950944277.db2.gz VANAVZHBFCJGAJ-LBPRGKRZSA-N 0 3 388.476 0.694 20 0 GCADHN CC1CC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575937384 950948005 /nfs/dbraw/zinc/94/80/05/950948005.db2.gz FCBBNJKHGGFSKB-UXUKBGGZSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1nccnc1N ZINC001574529583 950955097 /nfs/dbraw/zinc/95/50/97/950955097.db2.gz REJFEMWENADBHK-VXGBXAGGSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1nccnc1N ZINC001574529583 950955113 /nfs/dbraw/zinc/95/51/13/950955113.db2.gz REJFEMWENADBHK-VXGBXAGGSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575017106 950977575 /nfs/dbraw/zinc/97/75/75/950977575.db2.gz ABAOVUABYGBUEE-VIFPVBQESA-N 0 3 386.391 0.341 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575017106 950977590 /nfs/dbraw/zinc/97/75/90/950977590.db2.gz ABAOVUABYGBUEE-VIFPVBQESA-N 0 3 386.391 0.341 20 0 GCADHN C[C@H](CNC(=O)c1cccc(C(N)=O)n1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575025882 951135894 /nfs/dbraw/zinc/13/58/94/951135894.db2.gz CLFCKVIJIXJGTB-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1cccc(C(N)=O)n1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575025882 951135902 /nfs/dbraw/zinc/13/59/02/951135902.db2.gz CLFCKVIJIXJGTB-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575034778 951256794 /nfs/dbraw/zinc/25/67/94/951256794.db2.gz DJMCHSFBPIFRDO-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001575036232 951289417 /nfs/dbraw/zinc/28/94/17/951289417.db2.gz PXYCVESCRZHILZ-GFCCVEGCSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001575036232 951289433 /nfs/dbraw/zinc/28/94/33/951289433.db2.gz PXYCVESCRZHILZ-GFCCVEGCSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575043149 951382562 /nfs/dbraw/zinc/38/25/62/951382562.db2.gz GEPSCWCTSVTKCW-LBPRGKRZSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575043149 951382579 /nfs/dbraw/zinc/38/25/79/951382579.db2.gz GEPSCWCTSVTKCW-LBPRGKRZSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1noc2c1COCC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575065310 951584153 /nfs/dbraw/zinc/58/41/53/951584153.db2.gz GABFOKYVSZGMNQ-NSHDSACASA-N 0 3 383.412 0.836 20 0 GCADHN C[C@@H](CNC(=O)c1noc2c1COCC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575065310 951584164 /nfs/dbraw/zinc/58/41/64/951584164.db2.gz GABFOKYVSZGMNQ-NSHDSACASA-N 0 3 383.412 0.836 20 0 GCADHN CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575070526 951651656 /nfs/dbraw/zinc/65/16/56/951651656.db2.gz RCVJAKOFCYYMSE-NEPJUHHUSA-N 0 3 376.465 0.311 20 0 GCADHN C[C@H](C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575071232 951657521 /nfs/dbraw/zinc/65/75/21/951657521.db2.gz YUPYFESBTZLRBV-DGCLKSJQSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077046 951660251 /nfs/dbraw/zinc/66/02/51/951660251.db2.gz BBQZPTYYNWGLNX-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077046 951660257 /nfs/dbraw/zinc/66/02/57/951660257.db2.gz BBQZPTYYNWGLNX-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077257 951664182 /nfs/dbraw/zinc/66/41/82/951664182.db2.gz BHNAOYCDEGOCLJ-IAQYHMDHSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077257 951664186 /nfs/dbraw/zinc/66/41/86/951664186.db2.gz BHNAOYCDEGOCLJ-IAQYHMDHSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077873 951675405 /nfs/dbraw/zinc/67/54/05/951675405.db2.gz JDMFOCDTHAOUQC-YPMHNXCESA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077873 951675411 /nfs/dbraw/zinc/67/54/11/951675411.db2.gz JDMFOCDTHAOUQC-YPMHNXCESA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078414 951681499 /nfs/dbraw/zinc/68/14/99/951681499.db2.gz LKBYSKKIZBUPNE-RYUDHWBXSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078414 951681506 /nfs/dbraw/zinc/68/15/06/951681506.db2.gz LKBYSKKIZBUPNE-RYUDHWBXSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C)c1N ZINC001575078829 951683952 /nfs/dbraw/zinc/68/39/52/951683952.db2.gz AMEQHPSZVMIWBO-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C)c1N ZINC001575078829 951683959 /nfs/dbraw/zinc/68/39/59/951683959.db2.gz AMEQHPSZVMIWBO-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078628 951684749 /nfs/dbraw/zinc/68/47/49/951684749.db2.gz LDWZXEOSZUAFCF-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078628 951684751 /nfs/dbraw/zinc/68/47/51/951684751.db2.gz LDWZXEOSZUAFCF-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079253 951688624 /nfs/dbraw/zinc/68/86/24/951688624.db2.gz MSBWHZJOSZPHDW-IUODEOHRSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079253 951688633 /nfs/dbraw/zinc/68/86/33/951688633.db2.gz MSBWHZJOSZPHDW-IUODEOHRSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CN1CCCC1=O ZINC001575079403 951691124 /nfs/dbraw/zinc/69/11/24/951691124.db2.gz DNRCFAFLTDPYDX-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CN1CCCC1=O ZINC001575079403 951691128 /nfs/dbraw/zinc/69/11/28/951691128.db2.gz DNRCFAFLTDPYDX-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079498 951692673 /nfs/dbraw/zinc/69/26/73/951692673.db2.gz FPVNKFANKKHFLI-ZDUSSCGKSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079498 951692679 /nfs/dbraw/zinc/69/26/79/951692679.db2.gz FPVNKFANKKHFLI-ZDUSSCGKSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079506 951692693 /nfs/dbraw/zinc/69/26/93/951692693.db2.gz FQLQFRSPDFNIFM-YPMHNXCESA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079506 951692698 /nfs/dbraw/zinc/69/26/98/951692698.db2.gz FQLQFRSPDFNIFM-YPMHNXCESA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079788 951697374 /nfs/dbraw/zinc/69/73/74/951697374.db2.gz OUCJSVIIFRDNCP-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079788 951697377 /nfs/dbraw/zinc/69/73/77/951697377.db2.gz OUCJSVIIFRDNCP-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079790 951698325 /nfs/dbraw/zinc/69/83/25/951698325.db2.gz OUCJSVIIFRDNCP-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079790 951698326 /nfs/dbraw/zinc/69/83/26/951698326.db2.gz OUCJSVIIFRDNCP-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575079856 951698892 /nfs/dbraw/zinc/69/88/92/951698892.db2.gz HROOZBRAUKKABT-DOMZBBRYSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575079856 951698900 /nfs/dbraw/zinc/69/89/00/951698900.db2.gz HROOZBRAUKKABT-DOMZBBRYSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079926 951699658 /nfs/dbraw/zinc/69/96/58/951699658.db2.gz SZWWMEKUKZIGBC-RYUDHWBXSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079926 951699659 /nfs/dbraw/zinc/69/96/59/951699659.db2.gz SZWWMEKUKZIGBC-RYUDHWBXSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575079978 951700449 /nfs/dbraw/zinc/70/04/49/951700449.db2.gz IFAYIHSOUYQPSR-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575079978 951700457 /nfs/dbraw/zinc/70/04/57/951700457.db2.gz IFAYIHSOUYQPSR-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079990 951700980 /nfs/dbraw/zinc/70/09/80/951700980.db2.gz IKXLFHOVQSGHBK-APPDUMDISA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079990 951700989 /nfs/dbraw/zinc/70/09/89/951700989.db2.gz IKXLFHOVQSGHBK-APPDUMDISA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079997 951701350 /nfs/dbraw/zinc/70/13/50/951701350.db2.gz INXGTUAKGZHMDW-LBPRGKRZSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079997 951701352 /nfs/dbraw/zinc/70/13/52/951701352.db2.gz INXGTUAKGZHMDW-LBPRGKRZSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079996 951701506 /nfs/dbraw/zinc/70/15/06/951701506.db2.gz INXGTUAKGZHMDW-GFCCVEGCSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079996 951701508 /nfs/dbraw/zinc/70/15/08/951701508.db2.gz INXGTUAKGZHMDW-GFCCVEGCSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575080059 951703308 /nfs/dbraw/zinc/70/33/08/951703308.db2.gz KARGSQBLSVDRBE-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575080059 951703316 /nfs/dbraw/zinc/70/33/16/951703316.db2.gz KARGSQBLSVDRBE-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575080685 951711884 /nfs/dbraw/zinc/71/18/84/951711884.db2.gz MQOFOKVJTCGNCW-DGCLKSJQSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575080685 951711892 /nfs/dbraw/zinc/71/18/92/951711892.db2.gz MQOFOKVJTCGNCW-DGCLKSJQSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575080686 951712034 /nfs/dbraw/zinc/71/20/34/951712034.db2.gz MQOFOKVJTCGNCW-WCQYABFASA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575080686 951712042 /nfs/dbraw/zinc/71/20/42/951712042.db2.gz MQOFOKVJTCGNCW-WCQYABFASA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575080818 951716413 /nfs/dbraw/zinc/71/64/13/951716413.db2.gz NSNQHCKVRRFBMX-VXGBXAGGSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575080818 951716417 /nfs/dbraw/zinc/71/64/17/951716417.db2.gz NSNQHCKVRRFBMX-VXGBXAGGSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCCC(N)=O ZINC001575080882 951718152 /nfs/dbraw/zinc/71/81/52/951718152.db2.gz ZXIHCSGEBYILIO-NSHDSACASA-N 0 3 377.424 0.598 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NCc1ccco1 ZINC001575080923 951718283 /nfs/dbraw/zinc/71/82/83/951718283.db2.gz SKKGFOHMZICSGT-NSHDSACASA-N 0 3 386.416 0.060 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081135 951720167 /nfs/dbraw/zinc/72/01/67/951720167.db2.gz OMPXOGLFVLJOBK-LRDDRELGSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081135 951720174 /nfs/dbraw/zinc/72/01/74/951720174.db2.gz OMPXOGLFVLJOBK-LRDDRELGSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NCCC(C)(C)C ZINC001575081413 951723433 /nfs/dbraw/zinc/72/34/33/951723433.db2.gz URGUVUFKEINUCZ-GFCCVEGCSA-N 0 3 390.492 0.703 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NCCC(C)(C)C ZINC001575081413 951723442 /nfs/dbraw/zinc/72/34/42/951723442.db2.gz URGUVUFKEINUCZ-GFCCVEGCSA-N 0 3 390.492 0.703 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575081831 951727573 /nfs/dbraw/zinc/72/75/73/951727573.db2.gz WFVBXXPMQRCCCD-PSASIEDQSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575081831 951727579 /nfs/dbraw/zinc/72/75/79/951727579.db2.gz WFVBXXPMQRCCCD-PSASIEDQSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081876 951727626 /nfs/dbraw/zinc/72/76/26/951727626.db2.gz SPYIGZWHXNTGMJ-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081876 951727634 /nfs/dbraw/zinc/72/76/34/951727634.db2.gz SPYIGZWHXNTGMJ-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575081836 951728142 /nfs/dbraw/zinc/72/81/42/951728142.db2.gz WFVBXXPMQRCCCD-WCBMZHEXSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575081836 951728148 /nfs/dbraw/zinc/72/81/48/951728148.db2.gz WFVBXXPMQRCCCD-WCBMZHEXSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575082554 951733647 /nfs/dbraw/zinc/73/36/47/951733647.db2.gz XBVNMOZYRAGGEQ-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575082554 951733652 /nfs/dbraw/zinc/73/36/52/951733652.db2.gz XBVNMOZYRAGGEQ-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCCC(N)=O ZINC001575082558 951734166 /nfs/dbraw/zinc/73/41/66/951734166.db2.gz XDSWOKYQOLTADP-LLVKDONJSA-N 0 3 377.424 0.598 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCCC(N)=O ZINC001575082558 951734170 /nfs/dbraw/zinc/73/41/70/951734170.db2.gz XDSWOKYQOLTADP-LLVKDONJSA-N 0 3 377.424 0.598 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCn1ccnn1 ZINC001575082600 951735534 /nfs/dbraw/zinc/73/55/34/951735534.db2.gz XQCSJBBLNRPOBB-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCn1ccnn1 ZINC001575082600 951735548 /nfs/dbraw/zinc/73/55/48/951735548.db2.gz XQCSJBBLNRPOBB-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082709 951735985 /nfs/dbraw/zinc/73/59/85/951735985.db2.gz YJTHRQNDAAZQMY-QWRGUYRKSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082709 951735988 /nfs/dbraw/zinc/73/59/88/951735988.db2.gz YJTHRQNDAAZQMY-QWRGUYRKSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088498 951739255 /nfs/dbraw/zinc/73/92/55/951739255.db2.gz AJADDZMBWTVMTM-BFUOFWGJSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088498 951739261 /nfs/dbraw/zinc/73/92/61/951739261.db2.gz AJADDZMBWTVMTM-BFUOFWGJSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088501 951739417 /nfs/dbraw/zinc/73/94/17/951739417.db2.gz AJADDZMBWTVMTM-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088501 951739426 /nfs/dbraw/zinc/73/94/26/951739426.db2.gz AJADDZMBWTVMTM-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089129 951745558 /nfs/dbraw/zinc/74/55/58/951745558.db2.gz DSXVZAMFSYIYHL-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089134 951745980 /nfs/dbraw/zinc/74/59/80/951745980.db2.gz DUHXQJNYPRTNNH-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089134 951745982 /nfs/dbraw/zinc/74/59/82/951745982.db2.gz DUHXQJNYPRTNNH-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089133 951746148 /nfs/dbraw/zinc/74/61/48/951746148.db2.gz DUHXQJNYPRTNNH-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089133 951746157 /nfs/dbraw/zinc/74/61/57/951746157.db2.gz DUHXQJNYPRTNNH-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575089776 951754860 /nfs/dbraw/zinc/75/48/60/951754860.db2.gz IOFKIWRGNALFBV-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CCn1cnnn1 ZINC001575090100 951757095 /nfs/dbraw/zinc/75/70/95/951757095.db2.gz JBUPRCXKASZYIJ-NSHDSACASA-N 0 3 388.411 0.019 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090638 951761755 /nfs/dbraw/zinc/76/17/55/951761755.db2.gz KWMCFYDEOGUBGN-WFASDCNBSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090638 951761760 /nfs/dbraw/zinc/76/17/60/951761760.db2.gz KWMCFYDEOGUBGN-WFASDCNBSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575090676 951763645 /nfs/dbraw/zinc/76/36/45/951763645.db2.gz LCENSBJPFKXGRW-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575090713 951763977 /nfs/dbraw/zinc/76/39/77/951763977.db2.gz LGPIXBNPLLNZJF-TZMCWYRMSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575090733 951764029 /nfs/dbraw/zinc/76/40/29/951764029.db2.gz LLZBFLHFNWSUAX-WCQYABFASA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091208 951771854 /nfs/dbraw/zinc/77/18/54/951771854.db2.gz QDWWXQBBMXHEGD-IAQYHMDHSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091208 951771863 /nfs/dbraw/zinc/77/18/63/951771863.db2.gz QDWWXQBBMXHEGD-IAQYHMDHSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091413 951775887 /nfs/dbraw/zinc/77/58/87/951775887.db2.gz SOVOGOZYMIPTHS-DOMZBBRYSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091413 951775896 /nfs/dbraw/zinc/77/58/96/951775896.db2.gz SOVOGOZYMIPTHS-DOMZBBRYSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091820 951784204 /nfs/dbraw/zinc/78/42/04/951784204.db2.gz VCZJNASLKJLLJZ-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091820 951784208 /nfs/dbraw/zinc/78/42/08/951784208.db2.gz VCZJNASLKJLLJZ-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CCn1cncn1 ZINC001575091884 951784772 /nfs/dbraw/zinc/78/47/72/951784772.db2.gz WMRNCOHEWUOQFY-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091861 951785445 /nfs/dbraw/zinc/78/54/45/951785445.db2.gz WEYOVDBVPQLTKH-BBRMVZONSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091861 951785453 /nfs/dbraw/zinc/78/54/53/951785453.db2.gz WEYOVDBVPQLTKH-BBRMVZONSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575092506 951792225 /nfs/dbraw/zinc/79/22/25/951792225.db2.gz CKJHEQKMIWBTHI-WFASDCNBSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575092506 951792235 /nfs/dbraw/zinc/79/22/35/951792235.db2.gz CKJHEQKMIWBTHI-WFASDCNBSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575093445 951801082 /nfs/dbraw/zinc/80/10/82/951801082.db2.gz JWDUSSRMMCBMQJ-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575093445 951801088 /nfs/dbraw/zinc/80/10/88/951801088.db2.gz JWDUSSRMMCBMQJ-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575094700 951804113 /nfs/dbraw/zinc/80/41/13/951804113.db2.gz NOGRGIPZAWZXEY-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575094700 951804120 /nfs/dbraw/zinc/80/41/20/951804120.db2.gz NOGRGIPZAWZXEY-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575095447 951810744 /nfs/dbraw/zinc/81/07/44/951810744.db2.gz TZTAOPKJYUQVIE-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575095447 951810751 /nfs/dbraw/zinc/81/07/51/951810751.db2.gz TZTAOPKJYUQVIE-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575096192 951820053 /nfs/dbraw/zinc/82/00/53/951820053.db2.gz ZZXAJCRXOWFZGI-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101698 951864728 /nfs/dbraw/zinc/86/47/28/951864728.db2.gz ILRIRFZVCFULOQ-ZMZPIMSZSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101698 951864738 /nfs/dbraw/zinc/86/47/38/951864738.db2.gz ILRIRFZVCFULOQ-ZMZPIMSZSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102061 951868341 /nfs/dbraw/zinc/86/83/41/951868341.db2.gz LNEHPINBHJZPFH-WDEREUQCSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102061 951868348 /nfs/dbraw/zinc/86/83/48/951868348.db2.gz LNEHPINBHJZPFH-WDEREUQCSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575102360 951868555 /nfs/dbraw/zinc/86/85/55/951868555.db2.gz LPBDDPHCEFEPNE-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575102360 951868564 /nfs/dbraw/zinc/86/85/64/951868564.db2.gz LPBDDPHCEFEPNE-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102684 951869889 /nfs/dbraw/zinc/86/98/89/951869889.db2.gz OGHYAWVHTCGZPM-SNVBAGLBSA-N 0 3 386.391 0.245 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102684 951869899 /nfs/dbraw/zinc/86/98/99/951869899.db2.gz OGHYAWVHTCGZPM-SNVBAGLBSA-N 0 3 386.391 0.245 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102990 951871793 /nfs/dbraw/zinc/87/17/93/951871793.db2.gz PZLCAKNTQCENEK-BLLLJJGKSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102990 951871799 /nfs/dbraw/zinc/87/17/99/951871799.db2.gz PZLCAKNTQCENEK-BLLLJJGKSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103620 951877673 /nfs/dbraw/zinc/87/76/73/951877673.db2.gz UOYFFWLLPGTGLG-QWRGUYRKSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103620 951877680 /nfs/dbraw/zinc/87/76/80/951877680.db2.gz UOYFFWLLPGTGLG-QWRGUYRKSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103676 951877977 /nfs/dbraw/zinc/87/79/77/951877977.db2.gz VEWGICSZVFQEGY-DIFFPNOSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103676 951877982 /nfs/dbraw/zinc/87/79/82/951877982.db2.gz VEWGICSZVFQEGY-DIFFPNOSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)c1cnc[nH]c1=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103861 951879985 /nfs/dbraw/zinc/87/99/85/951879985.db2.gz WUTZBQITUPLYBE-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575104203 951883686 /nfs/dbraw/zinc/88/36/86/951883686.db2.gz YBLARDBTSSMGJK-JSGCOSHPSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575104203 951883694 /nfs/dbraw/zinc/88/36/94/951883694.db2.gz YBLARDBTSSMGJK-JSGCOSHPSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575104906 951889615 /nfs/dbraw/zinc/88/96/15/951889615.db2.gz GQYGSGPIUIDEMN-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575104906 951889621 /nfs/dbraw/zinc/88/96/21/951889621.db2.gz GQYGSGPIUIDEMN-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105181 951891242 /nfs/dbraw/zinc/89/12/42/951891242.db2.gz HSTAZFZBSSUSEW-CYBMUJFWSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105181 951891248 /nfs/dbraw/zinc/89/12/48/951891248.db2.gz HSTAZFZBSSUSEW-CYBMUJFWSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105623 951895122 /nfs/dbraw/zinc/89/51/22/951895122.db2.gz LQYRGQSKFPMNIU-CJNGLKHVSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105623 951895132 /nfs/dbraw/zinc/89/51/32/951895132.db2.gz LQYRGQSKFPMNIU-CJNGLKHVSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)Cc1cncn1C ZINC001575105882 951901066 /nfs/dbraw/zinc/90/10/66/951901066.db2.gz PAWPJGXILRSNAE-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)Cc1cncn1C ZINC001575105882 951901071 /nfs/dbraw/zinc/90/10/71/951901071.db2.gz PAWPJGXILRSNAE-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106755 951907589 /nfs/dbraw/zinc/90/75/89/951907589.db2.gz UHGJQROJTJYECL-AWEZNQCLSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106755 951907597 /nfs/dbraw/zinc/90/75/97/951907597.db2.gz UHGJQROJTJYECL-AWEZNQCLSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575107113 951913024 /nfs/dbraw/zinc/91/30/24/951913024.db2.gz ZBBAZOAKEXOHDZ-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575107113 951913028 /nfs/dbraw/zinc/91/30/28/951913028.db2.gz ZBBAZOAKEXOHDZ-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575107229 951915900 /nfs/dbraw/zinc/91/59/00/951915900.db2.gz BQBXJJVOXAQZNI-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575107229 951915902 /nfs/dbraw/zinc/91/59/02/951915902.db2.gz BQBXJJVOXAQZNI-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107320 951916737 /nfs/dbraw/zinc/91/67/37/951916737.db2.gz CPBNINZJMGFOCJ-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107320 951916740 /nfs/dbraw/zinc/91/67/40/951916740.db2.gz CPBNINZJMGFOCJ-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107674 951921387 /nfs/dbraw/zinc/92/13/87/951921387.db2.gz HOLPOYNLVJIKNX-BJJXKVORSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107674 951921390 /nfs/dbraw/zinc/92/13/90/951921390.db2.gz HOLPOYNLVJIKNX-BJJXKVORSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575107979 951923578 /nfs/dbraw/zinc/92/35/78/951923578.db2.gz KFYNITYUEQVYOD-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575107979 951923586 /nfs/dbraw/zinc/92/35/86/951923586.db2.gz KFYNITYUEQVYOD-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575109211 951927763 /nfs/dbraw/zinc/92/77/63/951927763.db2.gz PJTRESODHVLNNG-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575109211 951927767 /nfs/dbraw/zinc/92/77/67/951927767.db2.gz PJTRESODHVLNNG-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113448 951940766 /nfs/dbraw/zinc/94/07/66/951940766.db2.gz BNMCETAIFBZZMQ-HIFRSBDPSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113448 951940772 /nfs/dbraw/zinc/94/07/72/951940772.db2.gz BNMCETAIFBZZMQ-HIFRSBDPSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113445 951941270 /nfs/dbraw/zinc/94/12/70/951941270.db2.gz BMPYKUJPDZRLJH-GFCCVEGCSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113445 951941272 /nfs/dbraw/zinc/94/12/72/951941272.db2.gz BMPYKUJPDZRLJH-GFCCVEGCSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113830 951947537 /nfs/dbraw/zinc/94/75/37/951947537.db2.gz GTKMFKPSEXLCAV-WFASDCNBSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113830 951947542 /nfs/dbraw/zinc/94/75/42/951947542.db2.gz GTKMFKPSEXLCAV-WFASDCNBSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575113895 951948480 /nfs/dbraw/zinc/94/84/80/951948480.db2.gz HSJMMMKBCPJOEB-HNAYVOBHSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575113895 951948484 /nfs/dbraw/zinc/94/84/84/951948484.db2.gz HSJMMMKBCPJOEB-HNAYVOBHSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575113893 951949088 /nfs/dbraw/zinc/94/90/88/951949088.db2.gz HSJMMMKBCPJOEB-BEFAXECRSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575113893 951949098 /nfs/dbraw/zinc/94/90/98/951949098.db2.gz HSJMMMKBCPJOEB-BEFAXECRSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575114036 951950544 /nfs/dbraw/zinc/95/05/44/951950544.db2.gz KYRLKKSRJSNAQX-QGZVFWFLSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575114098 951952721 /nfs/dbraw/zinc/95/27/21/951952721.db2.gz MPNULCCGUKETRH-VQIMIIECSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575114098 951952723 /nfs/dbraw/zinc/95/27/23/951952723.db2.gz MPNULCCGUKETRH-VQIMIIECSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114281 951954462 /nfs/dbraw/zinc/95/44/62/951954462.db2.gz OKTUXMUJJMCGNH-KBPBESRZSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114281 951954468 /nfs/dbraw/zinc/95/44/68/951954468.db2.gz OKTUXMUJJMCGNH-KBPBESRZSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114309 951956751 /nfs/dbraw/zinc/95/67/51/951956751.db2.gz OXBSFSLQQMBNHD-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114309 951956756 /nfs/dbraw/zinc/95/67/56/951956756.db2.gz OXBSFSLQQMBNHD-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114745 951958137 /nfs/dbraw/zinc/95/81/37/951958137.db2.gz RYOOUOXFOIYFQM-MCIONIFRSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114745 951958141 /nfs/dbraw/zinc/95/81/41/951958141.db2.gz RYOOUOXFOIYFQM-MCIONIFRSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114602 951958508 /nfs/dbraw/zinc/95/85/08/951958508.db2.gz QSWGAJHYKHRGKQ-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114602 951958515 /nfs/dbraw/zinc/95/85/15/951958515.db2.gz QSWGAJHYKHRGKQ-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114613 951958667 /nfs/dbraw/zinc/95/86/67/951958667.db2.gz RGQBGJHYMLMHBM-NEPJUHHUSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114613 951958677 /nfs/dbraw/zinc/95/86/77/951958677.db2.gz RGQBGJHYMLMHBM-NEPJUHHUSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](CNC(=O)CCN1CCOCC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114736 951959166 /nfs/dbraw/zinc/95/91/66/951959166.db2.gz RPKKSMYSUIBIDI-OAHLLOKOSA-N 0 3 387.488 0.431 20 0 GCADHN C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575184818 952423997 /nfs/dbraw/zinc/42/39/97/952423997.db2.gz DCSWFYGKEPEHTQ-NWDGAFQWSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575184818 952424000 /nfs/dbraw/zinc/42/40/00/952424000.db2.gz DCSWFYGKEPEHTQ-NWDGAFQWSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575185347 952433300 /nfs/dbraw/zinc/43/33/00/952433300.db2.gz PUKKHFVFDRUNBS-CQDKDKBSSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575185347 952433303 /nfs/dbraw/zinc/43/33/03/952433303.db2.gz PUKKHFVFDRUNBS-CQDKDKBSSA-N 0 3 392.485 0.284 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)c1ccnnc1 ZINC001571120885 952510579 /nfs/dbraw/zinc/51/05/79/952510579.db2.gz SIJRSPFWQLXVSU-OSYLJGHBSA-N 0 3 376.424 0.765 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)c1ccnnc1 ZINC001571120885 952510582 /nfs/dbraw/zinc/51/05/82/952510582.db2.gz SIJRSPFWQLXVSU-OSYLJGHBSA-N 0 3 376.424 0.765 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)c1ccnnc1 ZINC001571120885 952510587 /nfs/dbraw/zinc/51/05/87/952510587.db2.gz SIJRSPFWQLXVSU-OSYLJGHBSA-N 0 3 376.424 0.765 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)c1ccnnc1 ZINC001571120885 952510591 /nfs/dbraw/zinc/51/05/91/952510591.db2.gz SIJRSPFWQLXVSU-OSYLJGHBSA-N 0 3 376.424 0.765 20 0 GCADHN CC(F)(F)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575213884 952560942 /nfs/dbraw/zinc/56/09/42/952560942.db2.gz WGFLVAQSGAKNSM-LLVKDONJSA-N 0 3 384.362 0.978 20 0 GCADHN CC(F)(F)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001575213884 952560947 /nfs/dbraw/zinc/56/09/47/952560947.db2.gz WGFLVAQSGAKNSM-LLVKDONJSA-N 0 3 384.362 0.978 20 0 GCADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@]1(F)CCOC1 ZINC001571129906 952577688 /nfs/dbraw/zinc/57/76/88/952577688.db2.gz LGTQRECGISOOCI-PRXAMGSTSA-N 0 3 378.383 0.871 20 0 GCADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@]1(F)CCOC1 ZINC001571129906 952577690 /nfs/dbraw/zinc/57/76/90/952577690.db2.gz LGTQRECGISOOCI-PRXAMGSTSA-N 0 3 378.383 0.871 20 0 GCADHN COCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571135896 952610124 /nfs/dbraw/zinc/61/01/24/952610124.db2.gz HHJHKEFOTYMQJF-XHDPSFHLSA-N 0 3 378.408 0.358 20 0 GCADHN Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@@H]3C2)cn1 ZINC001571142493 952643059 /nfs/dbraw/zinc/64/30/59/952643059.db2.gz RWUOPJQJRHYQLO-IYBDPMFKSA-N 0 3 378.440 0.804 20 0 GCADHN Cn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@@H]3C2)cn1 ZINC001571142493 952643061 /nfs/dbraw/zinc/64/30/61/952643061.db2.gz RWUOPJQJRHYQLO-IYBDPMFKSA-N 0 3 378.440 0.804 20 0 GCADHN Cn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4-c4nn[n-]n4)C[C@@H]3C2)cn1 ZINC001571142493 952643064 /nfs/dbraw/zinc/64/30/64/952643064.db2.gz RWUOPJQJRHYQLO-IYBDPMFKSA-N 0 3 378.440 0.804 20 0 GCADHN Cn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4-c4nn[n-]n4)C[C@@H]3C2)cn1 ZINC001571142493 952643066 /nfs/dbraw/zinc/64/30/66/952643066.db2.gz RWUOPJQJRHYQLO-IYBDPMFKSA-N 0 3 378.440 0.804 20 0 GCADHN COc1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC001571158322 952711804 /nfs/dbraw/zinc/71/18/04/952711804.db2.gz HCENSHINVJDODY-CQSZACIVSA-N 0 3 380.412 0.670 20 0 GCADHN COc1cnc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC001571158322 952711808 /nfs/dbraw/zinc/71/18/08/952711808.db2.gz HCENSHINVJDODY-CQSZACIVSA-N 0 3 380.412 0.670 20 0 GCADHN Cc1nonc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001571160998 952729616 /nfs/dbraw/zinc/72/96/16/952729616.db2.gz OKWHBBIKICMEEN-GASCZTMLSA-N 0 3 380.412 0.762 20 0 GCADHN Cc1nonc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001571160998 952729621 /nfs/dbraw/zinc/72/96/21/952729621.db2.gz OKWHBBIKICMEEN-GASCZTMLSA-N 0 3 380.412 0.762 20 0 GCADHN Cc1nonc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C1 ZINC001571160998 952729626 /nfs/dbraw/zinc/72/96/26/952729626.db2.gz OKWHBBIKICMEEN-GASCZTMLSA-N 0 3 380.412 0.762 20 0 GCADHN Cc1nonc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C1 ZINC001571160998 952729628 /nfs/dbraw/zinc/72/96/28/952729628.db2.gz OKWHBBIKICMEEN-GASCZTMLSA-N 0 3 380.412 0.762 20 0 GCADHN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)c1cc2n(n1)CCO2 ZINC001571161037 952730095 /nfs/dbraw/zinc/73/00/95/952730095.db2.gz PEIDEOHABQVZSL-BETUJISGSA-N 0 3 380.412 0.506 20 0 GCADHN O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)c1cc2n(n1)CCO2 ZINC001571161037 952730099 /nfs/dbraw/zinc/73/00/99/952730099.db2.gz PEIDEOHABQVZSL-BETUJISGSA-N 0 3 380.412 0.506 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)Cc1ccn(C)n1 ZINC001571167023 952768708 /nfs/dbraw/zinc/76/87/08/952768708.db2.gz SZPINCBYQYPFLU-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)Cc1ccn(C)n1 ZINC001571167023 952768713 /nfs/dbraw/zinc/76/87/13/952768713.db2.gz SZPINCBYQYPFLU-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCC(O)(C[NH+](C)C)CC2)ccc1-c1nnn[n-]1 ZINC001571172148 952802877 /nfs/dbraw/zinc/80/28/77/952802877.db2.gz NYTPTTNXMHPZDZ-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCC(O)(C[NH+](C)C)CC2)ccc1-c1nn[n-]n1 ZINC001571172148 952802880 /nfs/dbraw/zinc/80/28/80/952802880.db2.gz NYTPTTNXMHPZDZ-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cn1nccc1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571172251 952803972 /nfs/dbraw/zinc/80/39/72/952803972.db2.gz QUZCSFCIIHELJO-INIZCTEOSA-N 0 3 380.456 0.924 20 0 GCADHN Cn1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001571179581 952854343 /nfs/dbraw/zinc/85/43/43/952854343.db2.gz FZWISNQLSRQJHO-QGZVFWFLSA-N 0 3 381.440 0.836 20 0 GCADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001571179571 952854563 /nfs/dbraw/zinc/85/45/63/952854563.db2.gz FWQWCXCWDFNZTH-CWRNSKLLSA-N 0 3 381.440 0.178 20 0 GCADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001571179571 952854567 /nfs/dbraw/zinc/85/45/67/952854567.db2.gz FWQWCXCWDFNZTH-CWRNSKLLSA-N 0 3 381.440 0.178 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001571180923 952861171 /nfs/dbraw/zinc/86/11/71/952861171.db2.gz RKRNAOHXFCZMFJ-CJNGLKHVSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001571180923 952861173 /nfs/dbraw/zinc/86/11/73/952861173.db2.gz RKRNAOHXFCZMFJ-CJNGLKHVSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001571181384 952863102 /nfs/dbraw/zinc/86/31/02/952863102.db2.gz VRMPLRCPJJKUAD-CJNGLKHVSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001571181384 952863111 /nfs/dbraw/zinc/86/31/11/952863111.db2.gz VRMPLRCPJJKUAD-CJNGLKHVSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571183517 952878496 /nfs/dbraw/zinc/87/84/96/952878496.db2.gz CKZBVMIPAGBDSR-IUODEOHRSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571183517 952878501 /nfs/dbraw/zinc/87/85/01/952878501.db2.gz CKZBVMIPAGBDSR-IUODEOHRSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001571183634 952880794 /nfs/dbraw/zinc/88/07/94/952880794.db2.gz GLXODAFHNSZUOZ-UONOGXRCSA-N 0 3 381.444 0.792 20 0 GCADHN C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571184125 952888143 /nfs/dbraw/zinc/88/81/43/952888143.db2.gz QZIJANPXJXNTFV-WFASDCNBSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571184125 952888144 /nfs/dbraw/zinc/88/81/44/952888144.db2.gz QZIJANPXJXNTFV-WFASDCNBSA-N 0 3 381.444 0.636 20 0 GCADHN Cc1c(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)nnn1C ZINC001571186794 952908980 /nfs/dbraw/zinc/90/89/80/952908980.db2.gz ZTOLLNABKXMWBV-CTYIDZIISA-N 0 3 381.444 0.602 20 0 GCADHN Cc1c(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)nnn1C ZINC001571186794 952908984 /nfs/dbraw/zinc/90/89/84/952908984.db2.gz ZTOLLNABKXMWBV-CTYIDZIISA-N 0 3 381.444 0.602 20 0 GCADHN Cc1cc(NC[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187867 952910002 /nfs/dbraw/zinc/91/00/02/952910002.db2.gz CKFOQAMCLIHBGY-AAEUAGOBSA-N 0 3 381.444 0.464 20 0 GCADHN Cc1cncn1CC(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001571187757 952910590 /nfs/dbraw/zinc/91/05/90/952910590.db2.gz BRXXXTSPFYNCOO-IAQYHMDHSA-N 0 3 381.444 0.716 20 0 GCADHN O=C(CCn1cncn1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571188625 952917634 /nfs/dbraw/zinc/91/76/34/952917634.db2.gz FJFDXXJBJZRIEE-OAHLLOKOSA-N 0 3 381.444 0.487 20 0 GCADHN O=C(CCn1cncn1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571188625 952917639 /nfs/dbraw/zinc/91/76/39/952917639.db2.gz FJFDXXJBJZRIEE-OAHLLOKOSA-N 0 3 381.444 0.487 20 0 GCADHN Cc1cc(NCC2CCN(C(=O)Cn3ccnc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188913 952922100 /nfs/dbraw/zinc/92/21/00/952922100.db2.gz PHWFJORUAOEASS-UHFFFAOYSA-N 0 3 381.444 0.539 20 0 GCADHN Cc1nc[nH]c1CC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571189266 952926894 /nfs/dbraw/zinc/92/68/94/952926894.db2.gz UHADHKYYQXOPDT-CYBMUJFWSA-N 0 3 381.444 0.669 20 0 GCADHN Cn1ncc(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571189324 952928414 /nfs/dbraw/zinc/92/84/14/952928414.db2.gz PSYUBUCFDHPCJK-KBPBESRZSA-N 0 3 381.444 0.826 20 0 GCADHN Cn1ncc(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571189324 952928417 /nfs/dbraw/zinc/92/84/17/952928417.db2.gz PSYUBUCFDHPCJK-KBPBESRZSA-N 0 3 381.444 0.826 20 0 GCADHN Cn1nccc1C[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2 ZINC001571189716 952933422 /nfs/dbraw/zinc/93/34/22/952933422.db2.gz SFCQFGXHRXCONF-HUUCEWRRSA-N 0 3 381.444 0.759 20 0 GCADHN Cn1nccc1C[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2 ZINC001571189716 952933430 /nfs/dbraw/zinc/93/34/30/952933430.db2.gz SFCQFGXHRXCONF-HUUCEWRRSA-N 0 3 381.444 0.759 20 0 GCADHN Cc1cncn1CC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189659 952933616 /nfs/dbraw/zinc/93/36/16/952933616.db2.gz ZQPWZGWZASWIGP-CQSZACIVSA-N 0 3 381.444 0.600 20 0 GCADHN Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2 ZINC001571189717 952934113 /nfs/dbraw/zinc/93/41/13/952934113.db2.gz SFCQFGXHRXCONF-LSDHHAIUSA-N 0 3 381.444 0.759 20 0 GCADHN Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2 ZINC001571189717 952934117 /nfs/dbraw/zinc/93/41/17/952934117.db2.gz SFCQFGXHRXCONF-LSDHHAIUSA-N 0 3 381.444 0.759 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571199052 952996544 /nfs/dbraw/zinc/99/65/44/952996544.db2.gz KRXHCJSTMHDSAW-ZDUSSCGKSA-N 0 3 382.428 0.998 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571199052 952996548 /nfs/dbraw/zinc/99/65/48/952996548.db2.gz KRXHCJSTMHDSAW-ZDUSSCGKSA-N 0 3 382.428 0.998 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571199603 953002251 /nfs/dbraw/zinc/00/22/51/953002251.db2.gz WHSVXNRKBJGAQV-CYBMUJFWSA-N 0 3 382.428 0.850 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571199603 953002253 /nfs/dbraw/zinc/00/22/53/953002253.db2.gz WHSVXNRKBJGAQV-CYBMUJFWSA-N 0 3 382.428 0.850 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571199804 953005478 /nfs/dbraw/zinc/00/54/78/953005478.db2.gz CJNVNFGMZROUBJ-FZMZJTMJSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571199804 953005481 /nfs/dbraw/zinc/00/54/81/953005481.db2.gz CJNVNFGMZROUBJ-FZMZJTMJSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001571200436 953008406 /nfs/dbraw/zinc/00/84/06/953008406.db2.gz ISHJUFWFQRWYJB-ABAIWWIYSA-N 0 3 382.428 0.144 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001571200436 953008410 /nfs/dbraw/zinc/00/84/10/953008410.db2.gz ISHJUFWFQRWYJB-ABAIWWIYSA-N 0 3 382.428 0.144 20 0 GCADHN Cc1cncc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)c1 ZINC001571202408 953025688 /nfs/dbraw/zinc/02/56/88/953025688.db2.gz UMEMAGJDLJIIJW-HNNXBMFYSA-N 0 3 382.428 0.529 20 0 GCADHN O=C(c1cn[nH]c1)N1CCCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571204577 953029998 /nfs/dbraw/zinc/02/99/98/953029998.db2.gz AAFFVXSPHURRKW-OAHLLOKOSA-N 0 3 382.428 0.611 20 0 GCADHN O=C(c1cn[nH]c1)N1CCCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571204577 953030003 /nfs/dbraw/zinc/03/00/03/953030003.db2.gz AAFFVXSPHURRKW-OAHLLOKOSA-N 0 3 382.428 0.611 20 0 GCADHN Cc1nonc1CC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC001571205756 953042087 /nfs/dbraw/zinc/04/20/87/953042087.db2.gz LNMAOCDNXJBLOK-XHDPSFHLSA-N 0 3 382.428 0.880 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CCn1cnnn1 ZINC001571206242 953049184 /nfs/dbraw/zinc/04/91/84/953049184.db2.gz SOVZQWQIBDTQEE-DOMZBBRYSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CCn1cnnn1 ZINC001571206242 953049187 /nfs/dbraw/zinc/04/91/87/953049187.db2.gz SOVZQWQIBDTQEE-DOMZBBRYSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571206808 953056050 /nfs/dbraw/zinc/05/60/50/953056050.db2.gz XMXMQHXNQUFESJ-WFASDCNBSA-N 0 3 382.432 0.023 20 0 GCADHN Cn1nnc(C(=O)N2CCC(C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC001571209923 953069091 /nfs/dbraw/zinc/06/90/91/953069091.db2.gz ITIVCRXBPUUBAX-UHFFFAOYSA-N 0 3 382.432 0.032 20 0 GCADHN Cn1nnc(C(=O)N2CCC(C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001571209923 953069094 /nfs/dbraw/zinc/06/90/94/953069094.db2.gz ITIVCRXBPUUBAX-UHFFFAOYSA-N 0 3 382.432 0.032 20 0 GCADHN O=C(Cn1cnnn1)NC1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571210226 953071644 /nfs/dbraw/zinc/07/16/44/953071644.db2.gz OVMGTWLRMKCFNP-UHFFFAOYSA-N 0 3 382.432 0.070 20 0 GCADHN O=C(Cn1cnnn1)NC1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571210226 953071647 /nfs/dbraw/zinc/07/16/47/953071647.db2.gz OVMGTWLRMKCFNP-UHFFFAOYSA-N 0 3 382.432 0.070 20 0 GCADHN O=C(NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571210841 953074788 /nfs/dbraw/zinc/07/47/88/953074788.db2.gz YCSBQXSEGNLHFO-UHTWSYAYSA-N 0 3 382.432 0.072 20 0 GCADHN O=C(NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571210841 953074795 /nfs/dbraw/zinc/07/47/95/953074795.db2.gz YCSBQXSEGNLHFO-UHTWSYAYSA-N 0 3 382.432 0.072 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001571211536 953077644 /nfs/dbraw/zinc/07/76/44/953077644.db2.gz AYRRHMJVGPCPJF-KFWWJZLASA-N 0 3 382.472 0.701 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001571211536 953077645 /nfs/dbraw/zinc/07/76/45/953077645.db2.gz AYRRHMJVGPCPJF-KFWWJZLASA-N 0 3 382.472 0.701 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001571211536 953077648 /nfs/dbraw/zinc/07/76/48/953077648.db2.gz AYRRHMJVGPCPJF-KFWWJZLASA-N 0 3 382.472 0.701 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001571211536 953077651 /nfs/dbraw/zinc/07/76/51/953077651.db2.gz AYRRHMJVGPCPJF-KFWWJZLASA-N 0 3 382.472 0.701 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571212218 953085728 /nfs/dbraw/zinc/08/57/28/953085728.db2.gz JKYUMYGBRGWKKW-BMFZPTHFSA-N 0 3 382.472 0.783 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571212218 953085732 /nfs/dbraw/zinc/08/57/32/953085732.db2.gz JKYUMYGBRGWKKW-BMFZPTHFSA-N 0 3 382.472 0.783 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571212218 953085737 /nfs/dbraw/zinc/08/57/37/953085737.db2.gz JKYUMYGBRGWKKW-BMFZPTHFSA-N 0 3 382.472 0.783 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571212218 953085741 /nfs/dbraw/zinc/08/57/41/953085741.db2.gz JKYUMYGBRGWKKW-BMFZPTHFSA-N 0 3 382.472 0.783 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571213213 953093567 /nfs/dbraw/zinc/09/35/67/953093567.db2.gz PSBACEKITWPKHT-HIFRSBDPSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571213213 953093571 /nfs/dbraw/zinc/09/35/71/953093571.db2.gz PSBACEKITWPKHT-HIFRSBDPSA-N 0 3 382.472 0.831 20 0 GCADHN O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C12CCC[NH+](CCC1)C2 ZINC001571218076 953112800 /nfs/dbraw/zinc/11/28/00/953112800.db2.gz LETYJWDSMKLNDY-AWEZNQCLSA-N 0 3 382.472 0.833 20 0 GCADHN O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C12CCC[NH+](CCC1)C2 ZINC001571218076 953112803 /nfs/dbraw/zinc/11/28/03/953112803.db2.gz LETYJWDSMKLNDY-AWEZNQCLSA-N 0 3 382.472 0.833 20 0 GCADHN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CN(C(=O)c2ccon2)CCO1 ZINC001571218872 953119778 /nfs/dbraw/zinc/11/97/78/953119778.db2.gz FXXJSAYTOQPSJG-MLGOLLRUSA-N 0 3 383.412 0.874 20 0 GCADHN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CN(C(=O)c2ccon2)CCO1 ZINC001571218872 953119780 /nfs/dbraw/zinc/11/97/80/953119780.db2.gz FXXJSAYTOQPSJG-MLGOLLRUSA-N 0 3 383.412 0.874 20 0 GCADHN CN(C(=O)[C@@H]1CCC(=O)NC1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571230280 953175497 /nfs/dbraw/zinc/17/54/97/953175497.db2.gz CBJKNGCBAJXNDY-QQFBHYJXSA-N 0 3 383.456 0.472 20 0 GCADHN CN(C(=O)[C@@H]1CCC(=O)NC1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571230280 953175498 /nfs/dbraw/zinc/17/54/98/953175498.db2.gz CBJKNGCBAJXNDY-QQFBHYJXSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571230586 953178262 /nfs/dbraw/zinc/17/82/62/953178262.db2.gz GOESPRPEFFPWOZ-MRXNPFEDSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571230586 953178264 /nfs/dbraw/zinc/17/82/64/953178264.db2.gz GOESPRPEFFPWOZ-MRXNPFEDSA-N 0 3 383.456 0.426 20 0 GCADHN CN1C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1=O ZINC001571230643 953178882 /nfs/dbraw/zinc/17/88/82/953178882.db2.gz HREJSGSERWWIFN-OGVSOVDVSA-N 0 3 383.456 0.329 20 0 GCADHN CN1C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1=O ZINC001571230643 953178885 /nfs/dbraw/zinc/17/88/85/953178885.db2.gz HREJSGSERWWIFN-OGVSOVDVSA-N 0 3 383.456 0.329 20 0 GCADHN O=C(NC1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1CCC(=O)N1 ZINC001571232035 953185483 /nfs/dbraw/zinc/18/54/83/953185483.db2.gz AQNJUUPUFOLGBK-UYSNPLJNSA-N 0 3 383.456 0.662 20 0 GCADHN O=C(NC1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1CCC(=O)N1 ZINC001571232035 953185484 /nfs/dbraw/zinc/18/54/84/953185484.db2.gz AQNJUUPUFOLGBK-UYSNPLJNSA-N 0 3 383.456 0.662 20 0 GCADHN O=C(CN1CCCCC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571232237 953186383 /nfs/dbraw/zinc/18/63/83/953186383.db2.gz CKLBYAOPBKXHHM-IYBDPMFKSA-N 0 3 383.456 0.616 20 0 GCADHN O=C(CN1CCCCC1=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571232237 953186385 /nfs/dbraw/zinc/18/63/85/953186385.db2.gz CKLBYAOPBKXHHM-IYBDPMFKSA-N 0 3 383.456 0.616 20 0 GCADHN O=C(NC1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001571232673 953188321 /nfs/dbraw/zinc/18/83/21/953188321.db2.gz IYUMXLWRPZEUDZ-XUJLQICISA-N 0 3 383.456 0.662 20 0 GCADHN O=C(NC1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001571232673 953188322 /nfs/dbraw/zinc/18/83/22/953188322.db2.gz IYUMXLWRPZEUDZ-XUJLQICISA-N 0 3 383.456 0.662 20 0 GCADHN C[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001571233068 953190221 /nfs/dbraw/zinc/19/02/21/953190221.db2.gz NTTUONIHWCYQHK-XPKDYRNWSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001571233068 953190225 /nfs/dbraw/zinc/19/02/25/953190225.db2.gz NTTUONIHWCYQHK-XPKDYRNWSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@@H]1C[N@H+](Cc2ccccc2-c2nn[n-]n2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001571233068 953190227 /nfs/dbraw/zinc/19/02/27/953190227.db2.gz NTTUONIHWCYQHK-XPKDYRNWSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[n-]n2)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001571233068 953190231 /nfs/dbraw/zinc/19/02/31/953190231.db2.gz NTTUONIHWCYQHK-XPKDYRNWSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCC(=O)N1 ZINC001571233313 953191186 /nfs/dbraw/zinc/19/11/86/953191186.db2.gz ROEQBNONNRHAEH-KXBFYZLASA-N 0 3 383.456 0.616 20 0 GCADHN C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CCC(=O)N1 ZINC001571233313 953191195 /nfs/dbraw/zinc/19/11/95/953191195.db2.gz ROEQBNONNRHAEH-KXBFYZLASA-N 0 3 383.456 0.616 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@@]12CCOC2 ZINC001571233348 953191225 /nfs/dbraw/zinc/19/12/25/953191225.db2.gz SJMICAUUFLNGPE-BKEDOTJMSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@]12CCOC2 ZINC001571233348 953191229 /nfs/dbraw/zinc/19/12/29/953191229.db2.gz SJMICAUUFLNGPE-BKEDOTJMSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@@]12CCOC2 ZINC001571233348 953191231 /nfs/dbraw/zinc/19/12/31/953191231.db2.gz SJMICAUUFLNGPE-BKEDOTJMSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@]12CCOC2 ZINC001571233348 953191234 /nfs/dbraw/zinc/19/12/34/953191234.db2.gz SJMICAUUFLNGPE-BKEDOTJMSA-N 0 3 383.456 0.910 20 0 GCADHN O=C([C@H]1CCNC(=O)CC1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571233417 953192038 /nfs/dbraw/zinc/19/20/38/953192038.db2.gz UWJRGVHXLSSJEF-GDBMZVCRSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@H]1CCNC(=O)CC1)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571233417 953192041 /nfs/dbraw/zinc/19/20/41/953192041.db2.gz UWJRGVHXLSSJEF-GDBMZVCRSA-N 0 3 383.456 0.474 20 0 GCADHN CC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1[NH2+]CCn1cccn1 ZINC001571233429 953192415 /nfs/dbraw/zinc/19/24/15/953192415.db2.gz VBFFXERQQCYFSY-KGLIPLIRSA-N 0 3 383.460 0.922 20 0 GCADHN CC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1[NH2+]CCn1cccn1 ZINC001571233429 953192417 /nfs/dbraw/zinc/19/24/17/953192417.db2.gz VBFFXERQQCYFSY-KGLIPLIRSA-N 0 3 383.460 0.922 20 0 GCADHN O=C([C@H]1CCNC(=O)C1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571233543 953193604 /nfs/dbraw/zinc/19/36/04/953193604.db2.gz XKVINKOKJSEIMS-ZFWWWQNUSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@H]1CCNC(=O)C1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571233543 953193606 /nfs/dbraw/zinc/19/36/06/953193606.db2.gz XKVINKOKJSEIMS-ZFWWWQNUSA-N 0 3 383.456 0.474 20 0 GCADHN Cc1nn(C)cc1CN1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571234035 953198407 /nfs/dbraw/zinc/19/84/07/953198407.db2.gz LEXBLIWHFGUMPX-CYBMUJFWSA-N 0 3 383.460 0.879 20 0 GCADHN C[N@H+](CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1CCC1 ZINC001571234057 953198468 /nfs/dbraw/zinc/19/84/68/953198468.db2.gz MATSFSXMSKHQCQ-BETUJISGSA-N 0 3 383.460 0.036 20 0 GCADHN C[N@@H+](CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1CCC1 ZINC001571234057 953198470 /nfs/dbraw/zinc/19/84/70/953198470.db2.gz MATSFSXMSKHQCQ-BETUJISGSA-N 0 3 383.460 0.036 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571234358 953201562 /nfs/dbraw/zinc/20/15/62/953201562.db2.gz VECKBPZIQQHVDH-RDTXWAMCSA-N 0 3 383.460 0.180 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571234358 953201564 /nfs/dbraw/zinc/20/15/64/953201564.db2.gz VECKBPZIQQHVDH-RDTXWAMCSA-N 0 3 383.460 0.180 20 0 GCADHN Cn1ccc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)n1 ZINC001571241561 953247291 /nfs/dbraw/zinc/24/72/91/953247291.db2.gz DGJDVWYXSMOLPX-ZDUSSCGKSA-N 0 3 384.419 0.991 20 0 GCADHN Cn1ccc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)n1 ZINC001571241561 953247293 /nfs/dbraw/zinc/24/72/93/953247293.db2.gz DGJDVWYXSMOLPX-ZDUSSCGKSA-N 0 3 384.419 0.991 20 0 GCADHN Cc1ccnn1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571241510 953247350 /nfs/dbraw/zinc/24/73/50/953247350.db2.gz BQZZMZHCICGMBF-AWEZNQCLSA-N 0 3 384.419 0.901 20 0 GCADHN Cc1ccnn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571241609 953248024 /nfs/dbraw/zinc/24/80/24/953248024.db2.gz GDLYXXRKLUPAIQ-OKILXGFUSA-N 0 3 384.419 0.948 20 0 GCADHN Cc1ccnn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571241609 953248030 /nfs/dbraw/zinc/24/80/30/953248030.db2.gz GDLYXXRKLUPAIQ-OKILXGFUSA-N 0 3 384.419 0.948 20 0 GCADHN Cn1cncc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571241805 953249580 /nfs/dbraw/zinc/24/95/80/953249580.db2.gz MCEQPQBFTNXCDR-OKILXGFUSA-N 0 3 384.419 0.719 20 0 GCADHN Cn1cncc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571241805 953249585 /nfs/dbraw/zinc/24/95/85/953249585.db2.gz MCEQPQBFTNXCDR-OKILXGFUSA-N 0 3 384.419 0.719 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1-c1nnn[n-]1 ZINC001571241755 953250020 /nfs/dbraw/zinc/25/00/20/953250020.db2.gz KRCQROYJWONKGL-KSMMKXTCSA-N 0 3 384.440 0.602 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1-c1nn[n-]n1 ZINC001571241755 953250025 /nfs/dbraw/zinc/25/00/25/953250025.db2.gz KRCQROYJWONKGL-KSMMKXTCSA-N 0 3 384.440 0.602 20 0 GCADHN O=C(N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@]12C[C@H]1COC2 ZINC001571241856 953250657 /nfs/dbraw/zinc/25/06/57/953250657.db2.gz NJKSNCPQZZLCPI-FCEWJHQRSA-N 0 3 384.440 0.220 20 0 GCADHN O=C(N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@]12C[C@H]1COC2 ZINC001571241856 953250659 /nfs/dbraw/zinc/25/06/59/953250659.db2.gz NJKSNCPQZZLCPI-FCEWJHQRSA-N 0 3 384.440 0.220 20 0 GCADHN COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571241945 953251612 /nfs/dbraw/zinc/25/16/12/953251612.db2.gz QLJMSNJWTSLYIE-JMGFVUJMSA-N 0 3 384.440 0.660 20 0 GCADHN COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571241945 953251618 /nfs/dbraw/zinc/25/16/18/953251618.db2.gz QLJMSNJWTSLYIE-JMGFVUJMSA-N 0 3 384.440 0.660 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571243178 953263956 /nfs/dbraw/zinc/26/39/56/953263956.db2.gz YCPLBQYYBLEOGN-AAEUAGOBSA-N 0 3 384.444 0.010 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571243178 953263957 /nfs/dbraw/zinc/26/39/57/953263957.db2.gz YCPLBQYYBLEOGN-AAEUAGOBSA-N 0 3 384.444 0.010 20 0 GCADHN CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571245377 953273066 /nfs/dbraw/zinc/27/30/66/953273066.db2.gz HDNXVOPUONGCAX-DGCLKSJQSA-N 0 3 384.448 0.304 20 0 GCADHN CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571245377 953273069 /nfs/dbraw/zinc/27/30/69/953273069.db2.gz HDNXVOPUONGCAX-DGCLKSJQSA-N 0 3 384.448 0.304 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1 ZINC001571245486 953274046 /nfs/dbraw/zinc/27/40/46/953274046.db2.gz JIAUBZGXMSVQPP-BMIGLBTASA-N 0 3 384.448 0.153 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1 ZINC001571245486 953274049 /nfs/dbraw/zinc/27/40/49/953274049.db2.gz JIAUBZGXMSVQPP-BMIGLBTASA-N 0 3 384.448 0.153 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571245929 953278611 /nfs/dbraw/zinc/27/86/11/953278611.db2.gz OXOPNDZYBBUHEY-MFKMUULPSA-N 0 3 384.448 0.296 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571245929 953278613 /nfs/dbraw/zinc/27/86/13/953278613.db2.gz OXOPNDZYBBUHEY-MFKMUULPSA-N 0 3 384.448 0.296 20 0 GCADHN CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571246283 953281492 /nfs/dbraw/zinc/28/14/92/953281492.db2.gz XKXKLUOLNPIJMY-GFCCVEGCSA-N 0 3 384.448 0.367 20 0 GCADHN CCn1nnc(C)c1C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571246283 953281495 /nfs/dbraw/zinc/28/14/95/953281495.db2.gz XKXKLUOLNPIJMY-GFCCVEGCSA-N 0 3 384.448 0.367 20 0 GCADHN CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571246284 953282125 /nfs/dbraw/zinc/28/21/25/953282125.db2.gz XKXKLUOLNPIJMY-LBPRGKRZSA-N 0 3 384.448 0.367 20 0 GCADHN CCn1nnc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571246284 953282129 /nfs/dbraw/zinc/28/21/29/953282129.db2.gz XKXKLUOLNPIJMY-LBPRGKRZSA-N 0 3 384.448 0.367 20 0 GCADHN O=C(C[NH2+][C@@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2)N1CCC1 ZINC001571250347 953310078 /nfs/dbraw/zinc/31/00/78/953310078.db2.gz QXSIGTKJSOSIAI-KGLIPLIRSA-N 0 3 384.444 0.058 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001571252521 953330153 /nfs/dbraw/zinc/33/01/53/953330153.db2.gz OJOAWJQKHQATBS-OAHLLOKOSA-N 0 3 384.488 0.949 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001571252521 953330159 /nfs/dbraw/zinc/33/01/59/953330159.db2.gz OJOAWJQKHQATBS-OAHLLOKOSA-N 0 3 384.488 0.949 20 0 GCADHN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001571255448 953349692 /nfs/dbraw/zinc/34/96/92/953349692.db2.gz QAIALTWFYHHFQW-ZYHUDNBSSA-N 0 3 385.407 0.764 20 0 GCADHN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001571255445 953350319 /nfs/dbraw/zinc/35/03/19/953350319.db2.gz QAIALTWFYHHFQW-CMPLNLGQSA-N 0 3 385.407 0.764 20 0 GCADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N(CC[NH+](C)C)CC(=O)[O-])cc21 ZINC001604064077 974600175 /nfs/dbraw/zinc/60/01/75/974600175.db2.gz JRWYWXOJNZIIAG-UHFFFAOYSA-N 0 3 377.445 0.392 20 0 GCADHN CC(C)[C@H]([NH2+]CCCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C(=O)[O-] ZINC001591897672 976273239 /nfs/dbraw/zinc/27/32/39/976273239.db2.gz HXDGWPFKDCDSMO-ZACQAIPSSA-N 0 3 379.505 0.661 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C(=O)OC)[C@H](C(=O)[O-])C3)CC2)CC1 ZINC001596407196 983976139 /nfs/dbraw/zinc/97/61/39/983976139.db2.gz APOLVPHLMIGDJT-SJORKVTESA-N 0 3 395.500 0.515 20 0 GCADHN CC(C)(C(=O)[O-])N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC001589623910 987518688 /nfs/dbraw/zinc/51/86/88/987518688.db2.gz UADALLAMXHJRPP-IAGOWNOFSA-N 0 3 396.532 0.945 20 0 GCADHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001599836032 988744723 /nfs/dbraw/zinc/74/47/23/988744723.db2.gz ONYJZBPFMPVRSR-UYFTZEKXSA-N 0 3 384.521 0.970 20 0 GCADHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001599836032 988744732 /nfs/dbraw/zinc/74/47/32/988744732.db2.gz ONYJZBPFMPVRSR-UYFTZEKXSA-N 0 3 384.521 0.970 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)[C@@H](c2cnn(C)c2)C1 ZINC001591610748 992858318 /nfs/dbraw/zinc/85/83/18/992858318.db2.gz IPHPCQLDTRYSAS-FGTMMUONSA-N 0 3 391.516 0.709 20 0 GCADHN CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)[C@@H](c2cnn(C)c2)C1 ZINC001591610748 992858321 /nfs/dbraw/zinc/85/83/21/992858321.db2.gz IPHPCQLDTRYSAS-FGTMMUONSA-N 0 3 391.516 0.709 20 0 GCADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCC[NH+]2CCC(C(=O)[O-])CC2)cn1 ZINC001598578379 993309069 /nfs/dbraw/zinc/30/90/69/993309069.db2.gz GKGOKSMKFOAEEN-ROUUACIJSA-N 0 3 391.516 0.758 20 0 GCADHN CN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[C@@H](C(=O)[O-])C1 ZINC001598609723 993742994 /nfs/dbraw/zinc/74/29/94/993742994.db2.gz MWSUAEQXSGDISN-ZWKOTPCHSA-N 0 3 390.484 0.411 20 0 GCADHN CN1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@@H](C(=O)[O-])C1 ZINC001598609723 993743004 /nfs/dbraw/zinc/74/30/04/993743004.db2.gz MWSUAEQXSGDISN-ZWKOTPCHSA-N 0 3 390.484 0.411 20 0 GCADHN CN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[C@@H](C(=O)[O-])C1 ZINC001598609719 993743266 /nfs/dbraw/zinc/74/32/66/993743266.db2.gz MWSUAEQXSGDISN-ROUUACIJSA-N 0 3 390.484 0.411 20 0 GCADHN CN1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@@H](C(=O)[O-])C1 ZINC001598609719 993743276 /nfs/dbraw/zinc/74/32/76/993743276.db2.gz MWSUAEQXSGDISN-ROUUACIJSA-N 0 3 390.484 0.411 20 0 GCADHN CN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[C@H](C(=O)[O-])C1 ZINC001598609713 993743654 /nfs/dbraw/zinc/74/36/54/993743654.db2.gz MWSUAEQXSGDISN-MSOLQXFVSA-N 0 3 390.484 0.411 20 0 GCADHN CN1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@H](C(=O)[O-])C1 ZINC001598609713 993743663 /nfs/dbraw/zinc/74/36/63/993743663.db2.gz MWSUAEQXSGDISN-MSOLQXFVSA-N 0 3 390.484 0.411 20 0 GCADHN Cn1ncc(I)c1C(=O)NC1(CO)CCN(C)CC1 ZINC001188475963 1205983486 /nfs/dbraw/zinc/98/34/86/1205983486.db2.gz SWPBSJSOVVICCE-UHFFFAOYSA-N 0 3 378.214 0.211 20 0 GCADHN CC(C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)S(C)(=O)=O ZINC000264126661 530152355 /nfs/dbraw/zinc/15/23/55/530152355.db2.gz DREYQMJTNXLDFQ-DGCLKSJQSA-N 0 3 392.474 0.528 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c1 ZINC000264176796 530152825 /nfs/dbraw/zinc/15/28/25/530152825.db2.gz JLCVANZHRUICAB-ZDUSSCGKSA-N 0 3 375.516 0.509 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NCCN(C)C2CCCC2)c1 ZINC000264182929 530153208 /nfs/dbraw/zinc/15/32/08/530153208.db2.gz KPNQHKTXSACDJG-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCOC)CCN(C)C)c1 ZINC000264186210 530153607 /nfs/dbraw/zinc/15/36/07/530153607.db2.gz NPFSSAGIQCBSKV-UHFFFAOYSA-N 0 3 377.894 0.898 20 0 GCADHN C[C@H]1CN(CCC2CCN(C(=O)CCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000530702556 530156245 /nfs/dbraw/zinc/15/62/45/530156245.db2.gz WEWZKWHZCQQJTI-GJZGRUSLSA-N 0 3 375.535 0.664 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000571374529 530117387 /nfs/dbraw/zinc/11/73/87/530117387.db2.gz KWALFDQXDCYUIS-SNVBAGLBSA-N 0 3 389.396 0.500 20 0 GCADHN C[C@@H]1NCCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)[C@H]1C ZINC000648127943 530118544 /nfs/dbraw/zinc/11/85/44/530118544.db2.gz SAOUZYKMNIHGFZ-QWRGUYRKSA-N 0 3 390.303 0.936 20 0 GCADHN C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000571420699 530119587 /nfs/dbraw/zinc/11/95/87/530119587.db2.gz ZIYBADOJWKEUTB-IUODEOHRSA-N 0 3 397.317 0.598 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000408464216 530122350 /nfs/dbraw/zinc/12/23/50/530122350.db2.gz FZBYRVPWVQXGMY-KBPBESRZSA-N 0 3 375.539 0.335 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)CN1CCN(C)CC1 ZINC000571534522 530126453 /nfs/dbraw/zinc/12/64/53/530126453.db2.gz IICNYDGACGTWTN-LBPRGKRZSA-N 0 3 388.921 0.601 20 0 GCADHN C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)CN1CCN(C)CC1 ZINC000571534520 530126580 /nfs/dbraw/zinc/12/65/80/530126580.db2.gz IICNYDGACGTWTN-GFCCVEGCSA-N 0 3 388.921 0.601 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000408471114 530127774 /nfs/dbraw/zinc/12/77/74/530127774.db2.gz YBIADRSWRFDRPV-UHFFFAOYSA-N 0 3 375.539 0.479 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000045359023 530128759 /nfs/dbraw/zinc/12/87/59/530128759.db2.gz SOMPDJMFYBNCBB-MFKMUULPSA-N 0 3 379.887 0.947 20 0 GCADHN CN1CCC(CNS(=O)(=O)CC[C@@H]2CCCO2)(N2CCOCC2)CC1 ZINC000668295853 530156973 /nfs/dbraw/zinc/15/69/73/530156973.db2.gz GHCMNRYEQWUCKT-INIZCTEOSA-N 0 3 375.535 0.272 20 0 GCADHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000668303082 530157038 /nfs/dbraw/zinc/15/70/38/530157038.db2.gz YTCIEHROYFMYCA-GDBMZVCRSA-N 0 3 375.535 0.662 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cccnc1OCC(F)F ZINC000624956981 530130576 /nfs/dbraw/zinc/13/05/76/530130576.db2.gz UUOMUBGVKXSGHR-UHFFFAOYSA-N 0 3 380.461 0.839 20 0 GCADHN COCCNCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000262101071 530131783 /nfs/dbraw/zinc/13/17/83/530131783.db2.gz IUFVANKANSDWET-ZDUSSCGKSA-N 0 3 375.516 0.562 20 0 GCADHN COCCNCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000262099749 530131903 /nfs/dbraw/zinc/13/19/03/530131903.db2.gz IQBTXRMJQBPUBK-AWEZNQCLSA-N 0 3 389.543 0.809 20 0 GCADHN COCCNCCNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000262148846 530132349 /nfs/dbraw/zinc/13/23/49/530132349.db2.gz QUJHOKXZNLTICT-UHFFFAOYSA-N 0 3 383.392 0.336 20 0 GCADHN COCCNCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000262185749 530132480 /nfs/dbraw/zinc/13/24/80/530132480.db2.gz XPOGDIMPWQRDIN-UHFFFAOYSA-N 0 3 389.543 0.817 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413808318 530137713 /nfs/dbraw/zinc/13/77/13/530137713.db2.gz HSQCEMRICFCPGC-KBPBESRZSA-N 0 3 381.564 0.010 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000363341527 530138390 /nfs/dbraw/zinc/13/83/90/530138390.db2.gz MIIGSBRRBBZJKI-OKILXGFUSA-N 0 3 375.535 0.662 20 0 GCADHN CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CNCC[C@@H]1c1cccc(F)c1 ZINC000658391368 530140088 /nfs/dbraw/zinc/14/00/88/530140088.db2.gz BZICJYNTSAIAFU-HUUCEWRRSA-N 0 3 378.491 0.625 20 0 GCADHN O=C(CNS(=O)(=O)c1cccs1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000625183339 530140755 /nfs/dbraw/zinc/14/07/55/530140755.db2.gz NBKMCWPYPDZAHF-CQSZACIVSA-N 0 3 387.527 0.740 20 0 GCADHN CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)c1ccc(Br)cn1 ZINC000414207032 530141067 /nfs/dbraw/zinc/14/10/67/530141067.db2.gz JHQFNJQCMDVGII-ZETCQYMHSA-N 0 3 376.232 0.995 20 0 GCADHN CC(C)OC(=O)CNC(=O)[C@@H](C)S(=O)(=O)C(C)C(=O)N1CCCCC1 ZINC000414230899 530142037 /nfs/dbraw/zinc/14/20/37/530142037.db2.gz UIKSJVSEXOTJTI-OLZOCXBDSA-N 0 3 376.475 0.259 20 0 GCADHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)[C@@H](C)C(=O)N1CCCCC1 ZINC000414230899 530142040 /nfs/dbraw/zinc/14/20/40/530142040.db2.gz UIKSJVSEXOTJTI-OLZOCXBDSA-N 0 3 376.475 0.259 20 0 GCADHN C[C@H]([NH3+])[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000647878390 530142700 /nfs/dbraw/zinc/14/27/00/530142700.db2.gz BHEUNOLFPMPGES-JOYOIKCWSA-N 0 3 396.296 0.846 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000530531804 530144641 /nfs/dbraw/zinc/14/46/41/530144641.db2.gz GSKHMCSHNFYOHT-LBPRGKRZSA-N 0 3 392.547 0.259 20 0 GCADHN COCCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000263785413 530146698 /nfs/dbraw/zinc/14/66/98/530146698.db2.gz PLMSHTWBARUGEJ-ZDUSSCGKSA-N 0 3 375.516 0.596 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CCN1C ZINC000533562756 530147444 /nfs/dbraw/zinc/14/74/44/530147444.db2.gz NUYLBWQTLPYNMP-FRRDWIJNSA-N 0 3 375.516 0.665 20 0 GCADHN COCCC[NH+]1CCC(NC(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000263906797 530148311 /nfs/dbraw/zinc/14/83/11/530148311.db2.gz ZUZCKRKDOFTQMY-UHFFFAOYSA-N 0 3 375.516 0.644 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3F)CCN2C1=O ZINC000565608062 530189186 /nfs/dbraw/zinc/18/91/86/530189186.db2.gz CJEHMYWKEIVFDI-KOLCDFICSA-N 0 3 392.250 0.521 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)S(C)(=O)=O ZINC000047936495 530192855 /nfs/dbraw/zinc/19/28/55/530192855.db2.gz WXFDIVSXVVNVLH-JTQLQIEISA-N 0 3 396.437 0.231 20 0 GCADHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000055406126 530193692 /nfs/dbraw/zinc/19/36/92/530193692.db2.gz VFDOOWGWVNDLDP-GHMZBOCLSA-N 0 3 387.278 0.536 20 0 GCADHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000055406126 530193693 /nfs/dbraw/zinc/19/36/93/530193693.db2.gz VFDOOWGWVNDLDP-GHMZBOCLSA-N 0 3 387.278 0.536 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000266247886 530198406 /nfs/dbraw/zinc/19/84/06/530198406.db2.gz XGOPBFUXSIRJTD-DOMZBBRYSA-N 0 3 375.516 0.555 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCCN(C)C2)cc1 ZINC000625420736 530199420 /nfs/dbraw/zinc/19/94/20/530199420.db2.gz QXHLRBQMUQRIEU-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CCCN(CC)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000267049162 530207434 /nfs/dbraw/zinc/20/74/34/530207434.db2.gz NTBGYCKCVJJFMM-UHFFFAOYSA-N 0 3 377.532 0.947 20 0 GCADHN CCCCN(C)CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000557928151 530203614 /nfs/dbraw/zinc/20/36/14/530203614.db2.gz VMVZLPNUQHFYQD-NSHDSACASA-N 0 3 376.445 0.840 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000530784053 530158589 /nfs/dbraw/zinc/15/85/89/530158589.db2.gz BLYHPZRKLHTUCB-JTQLQIEISA-N 0 3 385.262 0.544 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C)C[C@@H]1CN ZINC000584230468 530205943 /nfs/dbraw/zinc/20/59/43/530205943.db2.gz HIKIDYVHRQIEHC-ZJUUUORDSA-N 0 3 389.319 0.730 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000264985430 530173545 /nfs/dbraw/zinc/17/35/45/530173545.db2.gz AWIIUNJPAHTEOS-LBPRGKRZSA-N 0 3 375.516 0.642 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC2([NH+](C)C)CCOCC2)s1 ZINC000265104113 530176726 /nfs/dbraw/zinc/17/67/26/530176726.db2.gz QHFZHVNNIUYZGN-UHFFFAOYSA-N 0 3 390.531 0.566 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1 ZINC000265183449 530177270 /nfs/dbraw/zinc/17/72/70/530177270.db2.gz FKYZYBBIXGCOEJ-AWEZNQCLSA-N 0 3 389.543 0.899 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000265254654 530177875 /nfs/dbraw/zinc/17/78/75/530177875.db2.gz PFIVKGNVBBHTED-OAHLLOKOSA-N 0 3 387.527 0.941 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)C1CC1 ZINC000265357508 530180665 /nfs/dbraw/zinc/18/06/65/530180665.db2.gz DESPZXLNRXUCJK-UHFFFAOYSA-N 0 3 375.397 0.517 20 0 GCADHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000584099476 530184473 /nfs/dbraw/zinc/18/44/73/530184473.db2.gz IGVNCEFLZLFTBB-FRRDWIJNSA-N 0 3 377.532 0.653 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCC(O)CC1 ZINC000265519792 530184605 /nfs/dbraw/zinc/18/46/05/530184605.db2.gz TZYARALNJMGBKJ-LBPRGKRZSA-N 0 3 375.516 0.378 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cccs1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265568675 530185959 /nfs/dbraw/zinc/18/59/59/530185959.db2.gz GXBGUICTOYGQBI-CYBMUJFWSA-N 0 3 387.527 0.644 20 0 GCADHN CN1CC[C@@H]2OCCN(C(=O)CCn3cc(Br)ccc3=O)[C@H]2C1 ZINC000556711518 530186555 /nfs/dbraw/zinc/18/65/55/530186555.db2.gz PSSDFEYOTSMRQR-KBPBESRZSA-N 0 3 384.274 0.932 20 0 GCADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000647888618 530187614 /nfs/dbraw/zinc/18/76/14/530187614.db2.gz KPGWERZVVILUKW-DOMZBBRYSA-N 0 3 375.516 0.650 20 0 GCADHN O=S(=O)(NCCCN1CCCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000588674563 530225001 /nfs/dbraw/zinc/22/50/01/530225001.db2.gz LDKIMHJEXHVPLW-UHFFFAOYSA-N 0 3 387.527 0.991 20 0 GCADHN COc1ccc(C(=O)N[C@H](CO)CN(C)C)c(I)c1 ZINC000588866981 530226540 /nfs/dbraw/zinc/22/65/40/530226540.db2.gz ULQWWYZNMLYVSH-VIFPVBQESA-N 0 3 378.210 0.952 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000518330315 530227584 /nfs/dbraw/zinc/22/75/84/530227584.db2.gz DVBCZFFNWIGUJC-ZYHUDNBSSA-N 0 3 394.540 0.790 20 0 GCADHN O=S(=O)(CCNS(=O)(=O)c1ccccc1)N[C@H]1CCN2CCCC[C@@H]12 ZINC000268564755 530229226 /nfs/dbraw/zinc/22/92/26/530229226.db2.gz AGMUHBMMSOVWOM-HOTGVXAUSA-N 0 3 387.527 0.511 20 0 GCADHN CN(C)C1(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCCC1 ZINC000268665014 530231476 /nfs/dbraw/zinc/23/14/76/530231476.db2.gz YFESPZJCKWJUNF-UHFFFAOYSA-N 0 3 389.543 0.759 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)NC[C@]1(O)CN2CCC1CC2 ZINC000569391326 530233704 /nfs/dbraw/zinc/23/37/04/530233704.db2.gz ZKQHTODUIDHJHK-HNNXBMFYSA-N 0 3 386.246 0.345 20 0 GCADHN CSCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000269085147 530235314 /nfs/dbraw/zinc/23/53/14/530235314.db2.gz MDZXZFQWTMXWNO-CQSZACIVSA-N 0 3 375.491 0.739 20 0 GCADHN CCS(=O)(=O)NCCCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000518612572 530235575 /nfs/dbraw/zinc/23/55/75/530235575.db2.gz FMGHVDWZBHDIAU-UHFFFAOYSA-N 0 3 378.539 0.504 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C[C@@H]2CNCCO2)s1 ZINC000269242243 530236905 /nfs/dbraw/zinc/23/69/05/530236905.db2.gz YFLFWWUSPKYLFK-CYBMUJFWSA-N 0 3 389.543 0.816 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000269317651 530238021 /nfs/dbraw/zinc/23/80/21/530238021.db2.gz HUJXQGCJPFZROY-NSHDSACASA-N 0 3 379.479 0.769 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(Br)cn1 ZINC000410428535 530238116 /nfs/dbraw/zinc/23/81/16/530238116.db2.gz YSQAZZWPXZHNAY-LBPRGKRZSA-N 0 3 398.305 0.925 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000269372190 530239704 /nfs/dbraw/zinc/23/97/04/530239704.db2.gz YXVNLGMVIVHACO-NSHDSACASA-N 0 3 379.479 0.912 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000427116731 530240670 /nfs/dbraw/zinc/24/06/70/530240670.db2.gz XDCFIXNGJNJARX-SECBINFHSA-N 0 3 385.877 0.779 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000269559115 530243119 /nfs/dbraw/zinc/24/31/19/530243119.db2.gz DYYJURAGDHHURX-QWHCGFSZSA-N 0 3 375.516 0.378 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000269559115 530243121 /nfs/dbraw/zinc/24/31/21/530243121.db2.gz DYYJURAGDHHURX-QWHCGFSZSA-N 0 3 375.516 0.378 20 0 GCADHN CN1CCN(CCCNC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000096953448 530243763 /nfs/dbraw/zinc/24/37/63/530243763.db2.gz GPMGSUHQJQMGHI-UHFFFAOYSA-N 0 3 397.317 0.933 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[NH2+]C1CCCCCC1 ZINC000236641744 530245224 /nfs/dbraw/zinc/24/52/24/530245224.db2.gz CJLWZARWJVVTAU-UHFFFAOYSA-N 0 3 387.278 0.728 20 0 GCADHN CCC[NH+](CCC)CCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000102758697 530247582 /nfs/dbraw/zinc/24/75/82/530247582.db2.gz KVSJGCLXSASDCT-UHFFFAOYSA-N 0 3 389.294 0.927 20 0 GCADHN C[C@@H](N)[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CCO1 ZINC000647234448 530248021 /nfs/dbraw/zinc/24/80/21/530248021.db2.gz RFYKDLOYRVHXQP-ZWNOBZJWSA-N 0 3 396.918 0.621 20 0 GCADHN CN1CCC(O)(CNC(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000267131598 530209072 /nfs/dbraw/zinc/20/90/72/530209072.db2.gz WAVBKQABHGXRSS-UHFFFAOYSA-N 0 3 390.303 0.813 20 0 GCADHN CN1CCC(O)(CNC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000267154282 530209535 /nfs/dbraw/zinc/20/95/35/530209535.db2.gz RVPSOJZZLTVGOJ-UHFFFAOYSA-N 0 3 376.425 0.798 20 0 GCADHN CCN1CCN(CCCCNC(=O)c2cc(S(=O)(=O)NC)cs2)CC1 ZINC000267184279 530209869 /nfs/dbraw/zinc/20/98/69/530209869.db2.gz XJIDHTHRJIIAQO-UHFFFAOYSA-N 0 3 388.559 0.804 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267193402 530210304 /nfs/dbraw/zinc/21/03/04/530210304.db2.gz CTUILCHELSUDNT-FZMZJTMJSA-N 0 3 377.557 0.968 20 0 GCADHN O=S(=O)(NCCNC1CCS(=O)(=O)CC1)c1ccc(F)cc1Cl ZINC000558657796 530212979 /nfs/dbraw/zinc/21/29/79/530212979.db2.gz HYQQLIYLYCODSZ-UHFFFAOYSA-N 0 3 384.882 0.924 20 0 GCADHN CC(C(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1)S(C)(=O)=O ZINC000267760587 530216486 /nfs/dbraw/zinc/21/64/86/530216486.db2.gz DVXHIHYYOFLIBJ-AAEUAGOBSA-N 0 3 377.459 0.775 20 0 GCADHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000414460937 530217827 /nfs/dbraw/zinc/21/78/27/530217827.db2.gz DTNGNFCMJBPBAD-STQMWFEESA-N 0 3 375.516 0.698 20 0 GCADHN CN(CCNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C1CC1 ZINC000624598366 530220444 /nfs/dbraw/zinc/22/04/44/530220444.db2.gz SFHVKSPXTFVXNN-UHFFFAOYSA-N 0 3 387.527 0.718 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000268059078 530220838 /nfs/dbraw/zinc/22/08/38/530220838.db2.gz XPOLMEHUHMIMQA-UHFFFAOYSA-N 0 3 389.543 0.641 20 0 GCADHN C[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@@H]1N(C)C ZINC000268106112 530221333 /nfs/dbraw/zinc/22/13/33/530221333.db2.gz BXOYBNLZWQRTPI-CJNGLKHVSA-N 0 3 387.527 0.797 20 0 GCADHN CC[C@@H](C)N(C)CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268158661 530222111 /nfs/dbraw/zinc/22/21/11/530222111.db2.gz MXJXYBUOZXQLGK-CQSZACIVSA-N 0 3 377.532 0.615 20 0 GCADHN CCN1CCN(CCC(=O)NCCN(C)S(=O)(=O)c2cccs2)CC1 ZINC000121657622 530271501 /nfs/dbraw/zinc/27/15/01/530271501.db2.gz QUMKPFYYAGYPFM-UHFFFAOYSA-N 0 3 388.559 0.512 20 0 GCADHN C[C@H](CNC(=O)CCNS(=O)(=O)c1cccs1)CN1CCN(C)CC1 ZINC000121788263 530271931 /nfs/dbraw/zinc/27/19/31/530271931.db2.gz MDCLGNMXOOALKW-CQSZACIVSA-N 0 3 388.559 0.416 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000123676250 530274752 /nfs/dbraw/zinc/27/47/52/530274752.db2.gz CFTQJKDIDOWOKG-UHFFFAOYSA-N 0 3 399.289 0.934 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(Br)cn1 ZINC000561230975 530275106 /nfs/dbraw/zinc/27/51/06/530275106.db2.gz WABFACZWVGXWNW-ZYHUDNBSSA-N 0 3 384.278 0.123 20 0 GCADHN CCN1CCN(CCC(=O)NCCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000124403859 530276084 /nfs/dbraw/zinc/27/60/84/530276084.db2.gz XFVJSIIEBOYDBJ-UHFFFAOYSA-N 0 3 388.559 0.479 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2cccc(Br)c2)n1 ZINC000561333933 530276663 /nfs/dbraw/zinc/27/66/63/530276663.db2.gz RPIZDQFOLKWPTC-UHFFFAOYSA-N 0 3 381.278 0.736 20 0 GCADHN CN(C)CCNC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000124988128 530276758 /nfs/dbraw/zinc/27/67/58/530276758.db2.gz AVDTWFDDXRHNRY-UHFFFAOYSA-N 0 3 395.261 0.705 20 0 GCADHN CCS(=O)(=O)NC1CCN(C(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000574890669 530282458 /nfs/dbraw/zinc/28/24/58/530282458.db2.gz MRUILCZJSPEHOL-UHFFFAOYSA-N 0 3 392.591 0.927 20 0 GCADHN CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000572593614 530283193 /nfs/dbraw/zinc/28/31/93/530283193.db2.gz HJUUAUCGOSZFKM-AWEZNQCLSA-N 0 3 383.290 0.509 20 0 GCADHN COCCCN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C1CCN(C)CC1 ZINC000427765711 530284842 /nfs/dbraw/zinc/28/48/42/530284842.db2.gz MZUQLDWUEDSUCU-MRXNPFEDSA-N 0 3 375.535 0.065 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N(C)CC1CCN(C)CC1)C(F)(F)F ZINC000561891493 530285393 /nfs/dbraw/zinc/28/53/93/530285393.db2.gz ZUTDIIBKHBZDAP-GFCCVEGCSA-N 0 3 388.456 0.792 20 0 GCADHN CC(C)(N)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000157717440 530287330 /nfs/dbraw/zinc/28/73/30/530287330.db2.gz HCARSSBSJLDIIU-JTQLQIEISA-N 0 3 378.210 0.884 20 0 GCADHN CS[C@@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@@H]1N1CCCC1 ZINC000273470587 530288594 /nfs/dbraw/zinc/28/85/94/530288594.db2.gz GXRHNTZEBFNNMH-DZGCQCFKSA-N 0 3 387.527 0.981 20 0 GCADHN C[N@@H+]1CC[C@](O)(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000562193223 530289247 /nfs/dbraw/zinc/28/92/47/530289247.db2.gz HJUDJXCBLUSHFQ-AWEZNQCLSA-N 0 3 396.296 0.455 20 0 GCADHN C[N@H+]1CC[C@](O)(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000562193223 530289248 /nfs/dbraw/zinc/28/92/48/530289248.db2.gz HJUDJXCBLUSHFQ-AWEZNQCLSA-N 0 3 396.296 0.455 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000131986037 530289906 /nfs/dbraw/zinc/28/99/06/530289906.db2.gz INAPKEXGFSLANM-MRXNPFEDSA-N 0 3 384.274 0.767 20 0 GCADHN CON(C)S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)CN(C)C)ccc1Cl ZINC000269868299 530252684 /nfs/dbraw/zinc/25/26/84/530252684.db2.gz FFCZWDDPEBAINQ-OAHLLOKOSA-N 0 3 393.893 0.564 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000269871035 530252863 /nfs/dbraw/zinc/25/28/63/530252863.db2.gz FVIRFSGZOBGBST-IUODEOHRSA-N 0 3 375.516 0.330 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000269920668 530254514 /nfs/dbraw/zinc/25/45/14/530254514.db2.gz PSYVUAIAJKDGLF-OAHLLOKOSA-N 0 3 377.894 0.389 20 0 GCADHN CN1CCC(O)(CNC(=O)c2cncc(I)c2)CC1 ZINC000270158577 530257012 /nfs/dbraw/zinc/25/70/12/530257012.db2.gz ANBBIZVTBGZNRD-UHFFFAOYSA-N 0 3 375.210 0.873 20 0 GCADHN CN(C)CCOCCNC(=O)C(=O)NCc1cc(Br)cs1 ZINC000559988886 530258474 /nfs/dbraw/zinc/25/84/74/530258474.db2.gz MZIQZRQUWJWJBR-UHFFFAOYSA-N 0 3 378.292 0.821 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)ccc1OC ZINC000270425258 530259699 /nfs/dbraw/zinc/25/96/99/530259699.db2.gz DXQYKBSSMOQNPI-OCCSQVGLSA-N 0 3 387.527 0.721 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccs2)C[C@H]1N(C)C ZINC000270418084 530259814 /nfs/dbraw/zinc/25/98/14/530259814.db2.gz CJKDVWKTSFKKKH-IJLUTSLNSA-N 0 3 377.557 0.919 20 0 GCADHN CC(C(=O)N(C)C)S(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000048721951 530259954 /nfs/dbraw/zinc/25/99/54/530259954.db2.gz DJIAHASGBGXSGU-LLVKDONJSA-N 0 3 378.472 0.456 20 0 GCADHN CC[N@H+](C)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000112926590 530261317 /nfs/dbraw/zinc/26/13/17/530261317.db2.gz CXEDCEXDBQQMCQ-UHFFFAOYSA-N 0 3 384.321 0.857 20 0 GCADHN CC[N@@H+](C)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000112926590 530261320 /nfs/dbraw/zinc/26/13/20/530261320.db2.gz CXEDCEXDBQQMCQ-UHFFFAOYSA-N 0 3 384.321 0.857 20 0 GCADHN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000113197235 530261429 /nfs/dbraw/zinc/26/14/29/530261429.db2.gz SVOUPGTYAIBABM-LLVKDONJSA-N 0 3 387.278 0.680 20 0 GCADHN CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000113197235 530261431 /nfs/dbraw/zinc/26/14/31/530261431.db2.gz SVOUPGTYAIBABM-LLVKDONJSA-N 0 3 387.278 0.680 20 0 GCADHN O=C(CC[N-]S(=O)(=O)c1cccs1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000270626943 530262240 /nfs/dbraw/zinc/26/22/40/530262240.db2.gz ILBMZOGJUHDSPW-AWEZNQCLSA-N 0 3 389.543 0.770 20 0 GCADHN O=C(CC[N-]S(=O)(=O)c1cccs1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000270626943 530262241 /nfs/dbraw/zinc/26/22/41/530262241.db2.gz ILBMZOGJUHDSPW-AWEZNQCLSA-N 0 3 389.543 0.770 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000114141069 530262427 /nfs/dbraw/zinc/26/24/27/530262427.db2.gz JKUMWDJGFAWDBE-UONOGXRCSA-N 0 3 388.559 0.415 20 0 GCADHN C[NH+](C)CC[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(C)(C)C ZINC000116231130 530264757 /nfs/dbraw/zinc/26/47/57/530264757.db2.gz ZUNYDUNDDPIXBX-LLVKDONJSA-N 0 3 389.294 0.782 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000271027421 530266537 /nfs/dbraw/zinc/26/65/37/530266537.db2.gz FDDWPJPPBSXLHG-LBPRGKRZSA-N 0 3 375.878 0.919 20 0 GCADHN CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)C[C@H]1N(C)C ZINC000271137562 530268310 /nfs/dbraw/zinc/26/83/10/530268310.db2.gz OGXYAJPSTUZKJN-YPMHNXCESA-N 0 3 375.516 0.956 20 0 GCADHN CS[C@@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C[C@H]1N(C)C ZINC000271127440 530268425 /nfs/dbraw/zinc/26/84/25/530268425.db2.gz MDVOPULTYBSBKS-TZMCWYRMSA-N 0 3 391.584 0.957 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000274399337 530296083 /nfs/dbraw/zinc/29/60/83/530296083.db2.gz DOMNZYKXXXUEGE-UHFFFAOYSA-N 0 3 388.262 0.827 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000274396345 530296257 /nfs/dbraw/zinc/29/62/57/530296257.db2.gz DCDMSRMGVFJSGJ-UHFFFAOYSA-N 0 3 388.262 0.827 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cs1 ZINC000363556583 530299175 /nfs/dbraw/zinc/29/91/75/530299175.db2.gz KHRADJUKFWKGBK-ZDUSSCGKSA-N 0 3 387.527 0.935 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000618307626 530300256 /nfs/dbraw/zinc/30/02/56/530300256.db2.gz MKWXPMDMYRFLOW-UHFFFAOYSA-N 0 3 387.278 0.571 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)[C@@]2(N)C[C@@H](OCC)C2(C)C)CC1 ZINC000444139670 530300650 /nfs/dbraw/zinc/30/06/50/530300650.db2.gz JEJGMJZOJNWWBU-PBHICJAKSA-N 0 3 375.535 0.839 20 0 GCADHN CCS(=O)(=O)N1CCC(NCc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000643887905 530302297 /nfs/dbraw/zinc/30/22/97/530302297.db2.gz FWUWCQVBUYRSJU-UHFFFAOYSA-N 0 3 395.934 0.891 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC000635641496 530302843 /nfs/dbraw/zinc/30/28/43/530302843.db2.gz UQVTVULPWWVDCD-UHFFFAOYSA-N 0 3 377.551 0.863 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)c1 ZINC000145925073 530304006 /nfs/dbraw/zinc/30/40/06/530304006.db2.gz AJQBFHNKRIXNDW-AWEZNQCLSA-N 0 3 389.543 0.995 20 0 GCADHN O=C(NCCCCN1CCC[C@@H]1CO)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635710513 530305615 /nfs/dbraw/zinc/30/56/15/530305615.db2.gz LYTYAUAVLCRBIK-UPJWGTAASA-N 0 3 386.436 0.563 20 0 GCADHN COC(=O)c1csc([C@@H](C)NCCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000586789889 530307818 /nfs/dbraw/zinc/30/78/18/530307818.db2.gz MPZWKRQOEOPUQC-GFCCVEGCSA-N 0 3 375.516 0.763 20 0 GCADHN CN(C)CCN(C)CCCN(C)C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635934404 530308440 /nfs/dbraw/zinc/30/84/40/530308440.db2.gz PVCHRZHVFGTUKR-QWHCGFSZSA-N 0 3 387.468 0.551 20 0 GCADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCC1(SC)CCN(C)CC1 ZINC000569798754 530311229 /nfs/dbraw/zinc/31/12/29/530311229.db2.gz SBMAWZGQQOLLOM-CYBMUJFWSA-N 0 3 378.564 0.537 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)[C@H](CN)C1 ZINC000569795658 530311319 /nfs/dbraw/zinc/31/13/19/530311319.db2.gz ABSDVCXFGXTHMU-IAQYHMDHSA-N 0 3 395.301 0.654 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000275581590 530313213 /nfs/dbraw/zinc/31/32/13/530313213.db2.gz QHTQQDMQHUTMKN-KGLIPLIRSA-N 0 3 387.527 0.842 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000275581594 530313220 /nfs/dbraw/zinc/31/32/20/530313220.db2.gz QHTQQDMQHUTMKN-ZIAGYGMSSA-N 0 3 387.527 0.842 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000275581592 530313258 /nfs/dbraw/zinc/31/32/58/530313258.db2.gz QHTQQDMQHUTMKN-UONOGXRCSA-N 0 3 387.527 0.842 20 0 GCADHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)C1 ZINC000275589337 530313359 /nfs/dbraw/zinc/31/33/59/530313359.db2.gz GBHOLHFZOGWZDR-CQSZACIVSA-N 0 3 386.543 0.767 20 0 GCADHN CN(C)C1(CNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCC1 ZINC000275983138 530318511 /nfs/dbraw/zinc/31/85/11/530318511.db2.gz MSXNKTAYJNPEMZ-UHFFFAOYSA-N 0 3 397.277 0.493 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c(OC)c1 ZINC000570450767 530320291 /nfs/dbraw/zinc/32/02/91/530320291.db2.gz SYQJPLVIIVUCAR-NSHDSACASA-N 0 3 379.504 0.863 20 0 GCADHN C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CCN1 ZINC000155248774 530320439 /nfs/dbraw/zinc/32/04/39/530320439.db2.gz RKLRBTHUFBNMGO-QMMMGPOBSA-N 0 3 382.305 0.609 20 0 GCADHN COC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)s1 ZINC000276193932 530320921 /nfs/dbraw/zinc/32/09/21/530320921.db2.gz HPJXMDKHGLHZRW-AWEZNQCLSA-N 0 3 379.504 0.238 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277353271 530331294 /nfs/dbraw/zinc/33/12/94/530331294.db2.gz AEHBQZNCWMILRI-OAHLLOKOSA-N 0 3 377.894 0.855 20 0 GCADHN CN(CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414736019 530322840 /nfs/dbraw/zinc/32/28/40/530322840.db2.gz CNCRIPNRKPLSJS-LBPRGKRZSA-N 0 3 398.305 0.912 20 0 GCADHN COC[C@@H](C)OC[C@@H](O)CN[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000570676551 530323055 /nfs/dbraw/zinc/32/30/55/530323055.db2.gz UZXKLOAKNRTROP-KFWWJZLASA-N 0 3 392.543 0.903 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Cc3cccc(I)c3)CCN2C1=O ZINC000570698358 530323650 /nfs/dbraw/zinc/32/36/50/530323650.db2.gz FVZUOMCRJDLISA-CHWSQXEVSA-N 0 3 399.232 0.604 20 0 GCADHN CC[C@H](CCO)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000570803203 530325281 /nfs/dbraw/zinc/32/52/81/530325281.db2.gz JGVHZVGAGSDTQS-CQSZACIVSA-N 0 3 392.543 0.709 20 0 GCADHN CSC1(CNC(=O)NCCS(=O)(=O)NC(C)(C)C)CCN(C)CC1 ZINC000570868642 530326435 /nfs/dbraw/zinc/32/64/35/530326435.db2.gz VSWSAJVFXDLQEI-UHFFFAOYSA-N 0 3 380.580 0.831 20 0 GCADHN COCCOC[C@H](O)CN[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000574912650 530327904 /nfs/dbraw/zinc/32/79/04/530327904.db2.gz RBWRPIAKUDOYHB-ZIAGYGMSSA-N 0 3 378.516 0.515 20 0 GCADHN CN(Cc1ccccc1)C[C@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000644550551 530358422 /nfs/dbraw/zinc/35/84/22/530358422.db2.gz KFUBPAKERMYPEB-QGZVFWFLSA-N 0 3 387.571 0.448 20 0 GCADHN O=S(=O)(CCNC[C@H](O)COCc1cccs1)N1CCSCC1 ZINC000644550481 530358687 /nfs/dbraw/zinc/35/86/87/530358687.db2.gz GYGRMBVBASIZBT-ZDUSSCGKSA-N 0 3 380.557 0.594 20 0 GCADHN CSc1ccc(OC[C@H](O)CNCCNS(=O)(=O)NC(C)C)cc1 ZINC000644632460 530360055 /nfs/dbraw/zinc/36/00/55/530360055.db2.gz JWWICDGWTAUIIX-CYBMUJFWSA-N 0 3 377.532 0.570 20 0 GCADHN CN(C)CC1(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CCC1 ZINC000281689320 530361844 /nfs/dbraw/zinc/36/18/44/530361844.db2.gz YVRGEMWGVQHYCU-UHFFFAOYSA-N 0 3 387.527 0.989 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177157042 530361853 /nfs/dbraw/zinc/36/18/53/530361853.db2.gz AJXOBPFFOGSPDD-CYBMUJFWSA-N 0 3 388.559 0.557 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)CC2(C(=O)OC)CCC2)CC1 ZINC000462099292 530363592 /nfs/dbraw/zinc/36/35/92/530363592.db2.gz CROQVZGDYMRRSN-OAHLLOKOSA-N 0 3 375.535 0.523 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000281924193 530364365 /nfs/dbraw/zinc/36/43/65/530364365.db2.gz LAHNSPPRCGDYAY-KBPBESRZSA-N 0 3 387.527 0.700 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@H]1CCC[NH2+]1 ZINC000178790105 530365177 /nfs/dbraw/zinc/36/51/77/530365177.db2.gz FLDMMRMBVJSFFM-MRVPVSSYSA-N 0 3 382.305 0.657 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000332920485 530331963 /nfs/dbraw/zinc/33/19/63/530331963.db2.gz ICMMMDBYDUJSRF-JFGNBEQYSA-N 0 3 390.531 0.813 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000332920485 530331965 /nfs/dbraw/zinc/33/19/65/530331965.db2.gz ICMMMDBYDUJSRF-JFGNBEQYSA-N 0 3 390.531 0.813 20 0 GCADHN C[C@H]1NCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)[C@H]1C ZINC000277436493 530332341 /nfs/dbraw/zinc/33/23/41/530332341.db2.gz CZIUUSXKYMWJDJ-BDAKNGLRSA-N 0 3 376.276 0.919 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000580058573 530332397 /nfs/dbraw/zinc/33/23/97/530332397.db2.gz PKTFJHYKEVBLFL-KFWWJZLASA-N 0 3 381.564 0.593 20 0 GCADHN C[C@H]1CN(CCCNC(=O)NCc2ccc(S(N)(=O)=O)s2)CCCO1 ZINC000277538660 530332888 /nfs/dbraw/zinc/33/28/88/530332888.db2.gz VGFPZLQPGRCGID-LBPRGKRZSA-N 0 3 390.531 0.696 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCCC1CC(O)C1 ZINC000647535329 530333659 /nfs/dbraw/zinc/33/36/59/530333659.db2.gz ZOWBNWKJEDEHCM-UHFFFAOYSA-N 0 3 390.527 0.461 20 0 GCADHN COc1cc(C(=O)NC[C@H](N)c2ccccc2OC)sc1S(N)(=O)=O ZINC000647634204 530336707 /nfs/dbraw/zinc/33/67/07/530336707.db2.gz QLKIJRQOTGEPKS-JTQLQIEISA-N 0 3 385.467 0.843 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)ncc1Br ZINC000278197005 530338378 /nfs/dbraw/zinc/33/83/78/530338378.db2.gz UYBJSZKWTPRINR-UHFFFAOYSA-N 0 3 385.262 0.664 20 0 GCADHN CC(C)[C@H](CO)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000580196546 530338779 /nfs/dbraw/zinc/33/87/79/530338779.db2.gz RLAXDCRHRYPFDA-AWEZNQCLSA-N 0 3 392.543 0.565 20 0 GCADHN COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCN1CC[NH2+]CC1 ZINC000262744574 530338952 /nfs/dbraw/zinc/33/89/52/530338952.db2.gz LBMKTYUODOQOCR-UHFFFAOYSA-N 0 3 383.495 0.871 20 0 GCADHN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000278342887 530340446 /nfs/dbraw/zinc/34/04/46/530340446.db2.gz WFPXUPDLEBLKQF-INIZCTEOSA-N 0 3 386.543 0.879 20 0 GCADHN CSC1(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCN(C)CC1 ZINC000589608708 530345484 /nfs/dbraw/zinc/34/54/84/530345484.db2.gz LQLMICQYPVFGPR-CYBMUJFWSA-N 0 3 378.564 0.537 20 0 GCADHN CSC1(CNC(=O)NCCCN2CCCS2(=O)=O)CCN(C)CC1 ZINC000589609125 530345689 /nfs/dbraw/zinc/34/56/89/530345689.db2.gz QUIOSHXLRBBFPD-UHFFFAOYSA-N 0 3 378.564 0.539 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC1(SC)CCN(C)CC1 ZINC000589624416 530346053 /nfs/dbraw/zinc/34/60/53/530346053.db2.gz HAAVEYHITFWQAE-ZDUSSCGKSA-N 0 3 397.632 0.991 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN(C(=O)CN3CCNCC3)CC2)c(C)s1 ZINC000637960971 530350910 /nfs/dbraw/zinc/35/09/10/530350910.db2.gz SFVYNPAAJJLYEM-UHFFFAOYSA-N 0 3 386.543 0.103 20 0 GCADHN COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)NC1CNC1 ZINC000580290213 530351146 /nfs/dbraw/zinc/35/11/46/530351146.db2.gz DBFBOILBYZGATQ-UHFFFAOYSA-N 0 3 386.202 0.271 20 0 GCADHN CCN1CCCN(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000643077582 530351763 /nfs/dbraw/zinc/35/17/63/530351763.db2.gz YCMIFWVLJPLOJW-OAHLLOKOSA-N 0 3 375.539 0.385 20 0 GCADHN COc1ccsc1S(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000580299470 530353058 /nfs/dbraw/zinc/35/30/58/530353058.db2.gz ODIMBTWAHQEHCV-UHFFFAOYSA-N 0 3 389.543 0.832 20 0 GCADHN CO[C@@H](CS(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000658379481 530373444 /nfs/dbraw/zinc/37/34/44/530373444.db2.gz PZAYNZMJEFVBNW-KBPBESRZSA-N 0 3 387.468 0.947 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000282722382 530374279 /nfs/dbraw/zinc/37/42/79/530374279.db2.gz UKAUKQSKAKAHCT-UHFFFAOYSA-N 0 3 389.905 0.953 20 0 GCADHN CN(C)C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000282849037 530375091 /nfs/dbraw/zinc/37/50/91/530375091.db2.gz LJMHIVYLFVEYAF-HNNXBMFYSA-N 0 3 388.921 0.974 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000283091551 530376978 /nfs/dbraw/zinc/37/69/78/530376978.db2.gz QPRHEUOFUBUWPT-QMMMGPOBSA-N 0 3 381.332 0.931 20 0 GCADHN O=C([C@@H]1CSCN1S(=O)(=O)CCCN1CCCC1)N1CCSCC1 ZINC000601325854 530377425 /nfs/dbraw/zinc/37/74/25/530377425.db2.gz GIPGPLMGKZSLPJ-AWEZNQCLSA-N 0 3 393.600 0.752 20 0 GCADHN O=C([C@H]1CSCN1S(=O)(=O)CCCN1CCCC1)N1CCSCC1 ZINC000601325855 530377690 /nfs/dbraw/zinc/37/76/90/530377690.db2.gz GIPGPLMGKZSLPJ-CQSZACIVSA-N 0 3 393.600 0.752 20 0 GCADHN CC(C)(CC(N)=O)NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000186237219 530378209 /nfs/dbraw/zinc/37/82/09/530378209.db2.gz OBFWPBCDVULRNL-UHFFFAOYSA-N 0 3 385.262 0.747 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3csnc3-c3ccccc3)CCN2C1=O ZINC000601342694 530379255 /nfs/dbraw/zinc/37/92/55/530379255.db2.gz GGKRRIBZUPDUAM-OLZOCXBDSA-N 0 3 378.479 0.743 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000283434557 530379680 /nfs/dbraw/zinc/37/96/80/530379680.db2.gz QCRHCUSOVLIDKY-GHMZBOCLSA-N 0 3 380.513 0.649 20 0 GCADHN COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)CCCN(C)C)C1=O ZINC000601362832 530381664 /nfs/dbraw/zinc/38/16/64/530381664.db2.gz JRLLRGXFSXDFOJ-GFCCVEGCSA-N 0 3 389.499 0.511 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1F ZINC000497366058 530382777 /nfs/dbraw/zinc/38/27/77/530382777.db2.gz OLQPMIMDECTBDI-ZWNOBZJWSA-N 0 3 379.479 0.945 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](C)C[NH2+]C)s1 ZINC000497365271 530382803 /nfs/dbraw/zinc/38/28/03/530382803.db2.gz MQFHXELXZOSYLN-LLVKDONJSA-N 0 3 383.561 0.364 20 0 GCADHN COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1S(=O)(=O)CCCN1CCCC1 ZINC000601387828 530384350 /nfs/dbraw/zinc/38/43/50/530384350.db2.gz GYMRZMMAWDNYQR-UONOGXRCSA-N 0 3 376.475 0.229 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000284918314 530388110 /nfs/dbraw/zinc/38/81/10/530388110.db2.gz FCDPNOMRTRHAFA-UHFFFAOYSA-N 0 3 399.289 0.315 20 0 GCADHN CC(C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1nnc(N)s1 ZINC000285080965 530389642 /nfs/dbraw/zinc/38/96/42/530389642.db2.gz KGVCMMRGJWQHEQ-LLVKDONJSA-N 0 3 381.483 0.631 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)C(=O)NCCC2 ZINC000658381571 530390706 /nfs/dbraw/zinc/39/07/06/530390706.db2.gz UTAPZNMGDWXOFW-NSHDSACASA-N 0 3 377.413 0.632 20 0 GCADHN CCN(CC)CCO[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC000644799178 530392856 /nfs/dbraw/zinc/39/28/56/530392856.db2.gz CXCIBTNNFVRFRR-OAHLLOKOSA-N 0 3 376.519 0.540 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000497865242 530393251 /nfs/dbraw/zinc/39/32/51/530393251.db2.gz RFNORQBGHFZYND-VIFPVBQESA-N 0 3 379.791 0.961 20 0 GCADHN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](CO)CN(C)C ZINC000590369355 530369992 /nfs/dbraw/zinc/36/99/92/530369992.db2.gz CUVJJRRBTNFCQV-UKRRQHHQSA-N 0 3 389.543 0.125 20 0 GCADHN COC(=O)CCCCCS(=O)(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000364568324 530398221 /nfs/dbraw/zinc/39/82/21/530398221.db2.gz VHINKFVXUUXTKH-MRXNPFEDSA-N 0 3 375.535 0.761 20 0 GCADHN CN(C)C[C@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(F)cc1 ZINC000287428132 530408412 /nfs/dbraw/zinc/40/84/12/530408412.db2.gz KYIFWJWEDWSLLP-HNNXBMFYSA-N 0 3 375.466 0.789 20 0 GCADHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000286711795 530403306 /nfs/dbraw/zinc/40/33/06/530403306.db2.gz BEPSYSRAAJNRNS-UHFFFAOYSA-N 0 3 392.884 0.953 20 0 GCADHN CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000616990550 530403819 /nfs/dbraw/zinc/40/38/19/530403819.db2.gz IWCAEDJHICJJFE-SNVBAGLBSA-N 0 3 387.278 0.948 20 0 GCADHN CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000616990550 530403820 /nfs/dbraw/zinc/40/38/20/530403820.db2.gz IWCAEDJHICJJFE-SNVBAGLBSA-N 0 3 387.278 0.948 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1 ZINC000286831986 530404189 /nfs/dbraw/zinc/40/41/89/530404189.db2.gz VZWGCPZXISKZDF-XJKSGUPXSA-N 0 3 387.527 0.842 20 0 GCADHN C[C@H](C[S@](C)=O)NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000286930579 530404706 /nfs/dbraw/zinc/40/47/06/530404706.db2.gz DHGISKSYBTWJJE-SHZVTRLKSA-N 0 3 385.555 0.960 20 0 GCADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000286921777 530404724 /nfs/dbraw/zinc/40/47/24/530404724.db2.gz ILWYGMDMTZJJPL-NSHDSACASA-N 0 3 377.894 0.945 20 0 GCADHN C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000286930598 530404962 /nfs/dbraw/zinc/40/49/62/530404962.db2.gz DHGISKSYBTWJJE-ZJWNCGCPSA-N 0 3 385.555 0.960 20 0 GCADHN COc1cc(F)c(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1OC ZINC000591085743 530406054 /nfs/dbraw/zinc/40/60/54/530406054.db2.gz XODOFSRAHRXQEG-UHFFFAOYSA-N 0 3 377.482 0.957 20 0 GCADHN COCCN(CCN(C)C)C(=O)CCNS(=O)(=O)c1ccccc1F ZINC000591300776 530407224 /nfs/dbraw/zinc/40/72/24/530407224.db2.gz DNVZVUIFLLGYCR-UHFFFAOYSA-N 0 3 375.466 0.531 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000591286193 530407469 /nfs/dbraw/zinc/40/74/69/530407469.db2.gz VJQDLEAMTDRSDD-LBPRGKRZSA-N 0 3 375.516 0.507 20 0 GCADHN CN1CCN(c2ncc(CNCCn3cc(Br)cn3)cn2)CC1 ZINC000285552527 530395243 /nfs/dbraw/zinc/39/52/43/530395243.db2.gz RPHUQYFKMLSYBC-UHFFFAOYSA-N 0 3 380.294 0.977 20 0 GCADHN COC(=O)CC[C@H](N)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000288526777 530419071 /nfs/dbraw/zinc/41/90/71/530419071.db2.gz DEWPEMAAAHIBDU-PWSUYJOCSA-N 0 3 389.246 0.586 20 0 GCADHN COc1cc(OC)c(CNCCN2CCN(S(C)(=O)=O)CC2)cc1F ZINC000651705563 530419661 /nfs/dbraw/zinc/41/96/61/530419661.db2.gz XKJIILDYCNKMTA-UHFFFAOYSA-N 0 3 375.466 0.510 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592118149 530414136 /nfs/dbraw/zinc/41/41/36/530414136.db2.gz QXTNWZLNTMLZGO-LPEHRKFASA-N 0 3 391.364 0.056 20 0 GCADHN COC(=O)CC[C@@H](N)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000288874028 530421412 /nfs/dbraw/zinc/42/14/12/530421412.db2.gz YSZCPVRCMLEJTO-GFCCVEGCSA-N 0 3 386.246 0.576 20 0 GCADHN COCCN(C)CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000289711019 530427135 /nfs/dbraw/zinc/42/71/35/530427135.db2.gz YMHJBOPVUGMSKW-UHFFFAOYSA-N 0 3 377.894 0.703 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)NCCc1ccccc1C ZINC000290933302 530437469 /nfs/dbraw/zinc/43/74/69/530437469.db2.gz JMLHNJAFUWWARY-AWEZNQCLSA-N 0 3 375.512 0.892 20 0 GCADHN CS(=O)(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000594702015 530437969 /nfs/dbraw/zinc/43/79/69/530437969.db2.gz SOFKNGIUQYPKBY-BXKDBHETSA-N 0 3 377.388 0.857 20 0 GCADHN Cc1sc(Br)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875766 530442589 /nfs/dbraw/zinc/44/25/89/530442589.db2.gz YNRUZTRASSVCRT-IUCAKERBSA-N 0 3 394.316 0.752 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)Cc3ccccc3C(F)(F)F)CCN2C1=O ZINC000594875531 530442642 /nfs/dbraw/zinc/44/26/42/530442642.db2.gz IGVFNWDQLHYISH-WCQYABFASA-N 0 3 377.388 0.779 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3sc4c(c3Br)CNC4)CCN2C1=O ZINC000594880152 530442683 /nfs/dbraw/zinc/44/26/83/530442683.db2.gz TZGIYMVNEBPNCW-CBAPKCEASA-N 0 3 385.287 0.498 20 0 GCADHN Cc1cc(Br)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000594875823 530442697 /nfs/dbraw/zinc/44/26/97/530442697.db2.gz SQFOJFMVXHIVCY-WCBMZHEXSA-N 0 3 394.316 0.752 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(Cl)s1 ZINC000595275868 530445560 /nfs/dbraw/zinc/44/55/60/530445560.db2.gz CULZQKYCWFPIKZ-VWYCJHECSA-N 0 3 384.889 0.739 20 0 GCADHN COC[C@@H](C)OC[C@H](O)CN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292896455 530450644 /nfs/dbraw/zinc/45/06/44/530450644.db2.gz ZGHNYTBPYGFJHC-ZIAGYGMSSA-N 0 3 376.475 0.057 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000292809674 530449707 /nfs/dbraw/zinc/44/97/07/530449707.db2.gz NBLNCQAUJUULPA-INIZCTEOSA-N 0 3 387.527 0.701 20 0 GCADHN COC(=O)[C@H](c1ccccc1Br)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595903291 530450082 /nfs/dbraw/zinc/45/00/82/530450082.db2.gz RZSIRBDULBUTPL-BPNCWPANSA-N 0 3 382.258 0.907 20 0 GCADHN Cn1cc(Br)c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000293514115 530454092 /nfs/dbraw/zinc/45/40/92/530454092.db2.gz YDRUNEGGWLDXMS-LBPRGKRZSA-N 0 3 384.278 0.561 20 0 GCADHN C[NH2+]C[C@@H](C)NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000595982830 530451891 /nfs/dbraw/zinc/45/18/91/530451891.db2.gz HHRFWYPCHRNBGP-DGCLKSJQSA-N 0 3 377.507 0.950 20 0 GCADHN C[NH2+]C[C@H](C)NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000595982828 530452030 /nfs/dbraw/zinc/45/20/30/530452030.db2.gz HHRFWYPCHRNBGP-AAEUAGOBSA-N 0 3 377.507 0.950 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000294188613 530457750 /nfs/dbraw/zinc/45/77/50/530457750.db2.gz KGLVEDSUXPAIQN-CYBMUJFWSA-N 0 3 389.547 0.580 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1F ZINC000652385121 530462495 /nfs/dbraw/zinc/46/24/95/530462495.db2.gz FVWIWXRSDUOVFX-UHFFFAOYSA-N 0 3 379.479 0.865 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]CCC1CC[NH2+]CC1 ZINC000652385274 530462547 /nfs/dbraw/zinc/46/25/47/530462547.db2.gz UQZCCRLUEOSREA-UHFFFAOYSA-N 0 3 375.878 0.872 20 0 GCADHN COc1ccccc1S(=O)(=O)CCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000295356556 530462548 /nfs/dbraw/zinc/46/25/48/530462548.db2.gz OEZRQHBCUCACJX-LLVKDONJSA-N 0 3 376.456 0.266 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Cc1ccc(Br)cc1 ZINC000295335495 530462614 /nfs/dbraw/zinc/46/26/14/530462614.db2.gz MQUPGHNDZGIXGQ-SECBINFHSA-N 0 3 375.244 0.968 20 0 GCADHN COc1ccccc1S(=O)(=O)CCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000295356560 530462853 /nfs/dbraw/zinc/46/28/53/530462853.db2.gz OEZRQHBCUCACJX-NSHDSACASA-N 0 3 376.456 0.266 20 0 GCADHN CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)Cc1cccc(Br)c1 ZINC000295376657 530463215 /nfs/dbraw/zinc/46/32/15/530463215.db2.gz PTKSHPOPFKWBQQ-VIFPVBQESA-N 0 3 375.244 0.968 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Cc1cccc(Br)c1 ZINC000295376657 530463217 /nfs/dbraw/zinc/46/32/17/530463217.db2.gz PTKSHPOPFKWBQQ-VIFPVBQESA-N 0 3 375.244 0.968 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Cc1ccccc1Br ZINC000295422785 530463580 /nfs/dbraw/zinc/46/35/80/530463580.db2.gz UHGUASSXNCIRTO-VIFPVBQESA-N 0 3 375.244 0.968 20 0 GCADHN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCN(C)C ZINC000298310800 530479574 /nfs/dbraw/zinc/47/95/74/530479574.db2.gz JROKHEJBWQHTHQ-ZDUSSCGKSA-N 0 3 377.507 0.904 20 0 GCADHN CCOc1ccccc1CS(=O)(=O)C(C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000298339994 530479958 /nfs/dbraw/zinc/47/99/58/530479958.db2.gz HJSRBHAJULLNQS-JSGCOSHPSA-N 0 3 389.495 0.692 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CCN2C1=O ZINC000602528612 530484067 /nfs/dbraw/zinc/48/40/67/530484067.db2.gz RYLHVMZMMNZRLS-JQWIXIFHSA-N 0 3 390.241 0.776 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CCN2C1=O ZINC000602528593 530484154 /nfs/dbraw/zinc/48/41/54/530484154.db2.gz RYLHVMZMMNZRLS-CMPLNLGQSA-N 0 3 390.241 0.776 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)CN2CCCC2)cc1 ZINC000298836531 530484185 /nfs/dbraw/zinc/48/41/85/530484185.db2.gz ZBLFIBBOTQVCRY-ZDUSSCGKSA-N 0 3 375.516 0.605 20 0 GCADHN CC(C)[C@@H](N)C(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000602587139 530484584 /nfs/dbraw/zinc/48/45/84/530484584.db2.gz XCNUSNABLZKTSL-LLVKDONJSA-N 0 3 389.241 0.713 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCN1C ZINC000408223083 530484856 /nfs/dbraw/zinc/48/48/56/530484856.db2.gz CRFDTRXALQCCFO-QWHCGFSZSA-N 0 3 387.527 0.982 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccs1)N[C@H]1CCCN(CCCO)C1 ZINC000297229814 530473573 /nfs/dbraw/zinc/47/35/73/530473573.db2.gz IAGVLGXRUSQHON-ZDUSSCGKSA-N 0 3 390.531 0.172 20 0 GCADHN CCO[C@@H]1C[C@@H](NCCS(=O)(=O)NC[C@H]2CCCCO2)[C@]12CCCO2 ZINC000638637739 530475109 /nfs/dbraw/zinc/47/51/09/530475109.db2.gz APXZPZQFJTXFQZ-QBPKDAKJSA-N 0 3 376.519 0.791 20 0 GCADHN COc1ncc(Br)cc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000599935948 530475721 /nfs/dbraw/zinc/47/57/21/530475721.db2.gz UAKYRAAKFJUFAF-NWDGAFQWSA-N 0 3 398.261 0.306 20 0 GCADHN CO[C@@H]1CCN(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)[C@@H](CN)C1 ZINC000521437049 530486254 /nfs/dbraw/zinc/48/62/54/530486254.db2.gz NFPDYEBESKMUNX-ARFHVFGLSA-N 0 3 375.535 0.096 20 0 GCADHN CO[C@@H]1CCN(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)[C@H](CN)C1 ZINC000521437051 530486339 /nfs/dbraw/zinc/48/63/39/530486339.db2.gz NFPDYEBESKMUNX-HRCADAONSA-N 0 3 375.535 0.096 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCN1C ZINC000408227664 530487302 /nfs/dbraw/zinc/48/73/02/530487302.db2.gz TZIYNAKBURLXBT-OLZOCXBDSA-N 0 3 386.543 0.965 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCCCN1CCCN(C)CC1 ZINC000603403345 530489594 /nfs/dbraw/zinc/48/95/94/530489594.db2.gz OTTHMWSGRHPPHW-HZPDHXFCSA-N 0 3 375.535 0.665 20 0 GCADHN CC(C(=O)NCCNC(=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000299581478 530491981 /nfs/dbraw/zinc/49/19/81/530491981.db2.gz LCHRFKBNKGBVNI-SECBINFHSA-N 0 3 377.260 0.728 20 0 GCADHN CC(C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)S(C)(=O)=O ZINC000299678783 530492940 /nfs/dbraw/zinc/49/29/40/530492940.db2.gz OPVWFNJQFZQTGN-CYBMUJFWSA-N 0 3 388.511 0.911 20 0 GCADHN O=S(=O)(NC[C@@H]1CNCCO1)c1cc(Br)cc2c1OCC2 ZINC000333839624 530493852 /nfs/dbraw/zinc/49/38/52/530493852.db2.gz KWIBJKMMKLNEGV-NSHDSACASA-N 0 3 377.260 0.651 20 0 GCADHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCN1C ZINC000563131156 530495143 /nfs/dbraw/zinc/49/51/43/530495143.db2.gz VEAJVSPGZSBJCW-SECBINFHSA-N 0 3 396.282 0.779 20 0 GCADHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCN1C ZINC000563131164 530495210 /nfs/dbraw/zinc/49/52/10/530495210.db2.gz VEAJVSPGZSBJCW-VIFPVBQESA-N 0 3 396.282 0.779 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H]1CCCC[C@H]1O ZINC000563139756 530495572 /nfs/dbraw/zinc/49/55/72/530495572.db2.gz CTCWLNZSXYNMKO-ZIAGYGMSSA-N 0 3 390.527 0.604 20 0 GCADHN COCCNCCNC(=O)C(=O)Nc1cccc(I)c1 ZINC000415537617 530503303 /nfs/dbraw/zinc/50/33/03/530503303.db2.gz HJRXVERDLCOOBK-UHFFFAOYSA-N 0 3 391.209 0.582 20 0 GCADHN COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)N[C@@H](C)CN ZINC000415659582 530503561 /nfs/dbraw/zinc/50/35/61/530503561.db2.gz SBYHAJMWQZIRPU-ZETCQYMHSA-N 0 3 388.218 0.646 20 0 GCADHN COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N(C)C1CNC1 ZINC000415732366 530504211 /nfs/dbraw/zinc/50/42/11/530504211.db2.gz GZWFJUHORZKTJI-UHFFFAOYSA-N 0 3 388.193 0.744 20 0 GCADHN CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415858361 530504831 /nfs/dbraw/zinc/50/48/31/530504831.db2.gz DVUNZCPVZWLAQC-NSHDSACASA-N 0 3 386.246 0.891 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccccc1I ZINC000415866758 530505296 /nfs/dbraw/zinc/50/52/96/530505296.db2.gz OSOJVPVJGYUMDT-VIFPVBQESA-N 0 3 389.193 0.334 20 0 GCADHN COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415867970 530505318 /nfs/dbraw/zinc/50/53/18/530505318.db2.gz PSOAYPQRNRUFRI-LLVKDONJSA-N 0 3 386.246 0.809 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)N1CCCC1 ZINC000531496882 530508826 /nfs/dbraw/zinc/50/88/26/530508826.db2.gz PGQSSBJTFYQQPR-SNVBAGLBSA-N 0 3 385.262 0.687 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1 ZINC000416497157 530511322 /nfs/dbraw/zinc/51/13/22/530511322.db2.gz SCUYHYGWTAARRC-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CSc1ccc([C@@H](CNC(=O)N2CC(NS(C)(=O)=O)C2)N(C)C)cc1 ZINC000637177113 530501852 /nfs/dbraw/zinc/50/18/52/530501852.db2.gz YKCWFRXGRCKCPL-OAHLLOKOSA-N 0 3 386.543 0.954 20 0 GCADHN O=C(CCN1CCC(NS(=O)(=O)c2cccs2)CC1)N1CCOCC1 ZINC000051321065 530513804 /nfs/dbraw/zinc/51/38/04/530513804.db2.gz JKFPQQAIDUCHJF-UHFFFAOYSA-N 0 3 387.527 0.740 20 0 GCADHN CCC[NH+]1CCC(N(C)C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000124099059 530517117 /nfs/dbraw/zinc/51/71/17/530517117.db2.gz QBUPAVNUKCTCNI-UHFFFAOYSA-N 0 3 387.278 0.632 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673512113 530517470 /nfs/dbraw/zinc/51/74/70/530517470.db2.gz YBHBYCVEBASSPY-MNOVXSKESA-N 0 3 386.246 0.439 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@H]1CCC[NH2+]C1 ZINC000236625325 530518548 /nfs/dbraw/zinc/51/85/48/530518548.db2.gz ZZFTZYQELVNDPE-VIFPVBQESA-N 0 3 396.332 0.905 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N[C@H]1CCC[NH2+]C1 ZINC000236625400 530518551 /nfs/dbraw/zinc/51/85/51/530518551.db2.gz MXGKTLGNSPDNPL-QMMMGPOBSA-N 0 3 382.305 0.657 20 0 GCADHN CN1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1 ZINC000534306342 530523122 /nfs/dbraw/zinc/52/31/22/530523122.db2.gz MWJDNVBLRSXEFJ-LLVKDONJSA-N 0 3 375.878 0.824 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(Br)c1 ZINC000366327213 530519482 /nfs/dbraw/zinc/51/94/82/530519482.db2.gz YITIUTLNNVIPHO-GDGBQDQQSA-N 0 3 375.244 0.732 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)[C@@H]1CCCN1C1CCOCC1 ZINC000366348051 530519849 /nfs/dbraw/zinc/51/98/49/530519849.db2.gz PKVKJUPODNXGEV-HNNXBMFYSA-N 0 3 391.559 0.125 20 0 GCADHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000440068903 530519903 /nfs/dbraw/zinc/51/99/03/530519903.db2.gz FJCRWSHTRGWIKT-CYBMUJFWSA-N 0 3 377.532 0.946 20 0 GCADHN NC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000237896802 530520167 /nfs/dbraw/zinc/52/01/67/530520167.db2.gz CHEHRFKXPRCWNU-UHFFFAOYSA-N 0 3 388.287 0.773 20 0 GCADHN [NH3+]CC1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000238028924 530520478 /nfs/dbraw/zinc/52/04/78/530520478.db2.gz MZLBABJSBHEXTN-UHFFFAOYSA-N 0 3 396.332 0.986 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cc(OC)c(S(N)(=O)=O)s2)CC1 ZINC000531523614 530521179 /nfs/dbraw/zinc/52/11/79/530521179.db2.gz FYDMXMXIAMRCNI-LLVKDONJSA-N 0 3 390.531 0.160 20 0 GCADHN COCCN(C(=O)CN[C@@H]1CC(C)(C)OC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000444648323 530546714 /nfs/dbraw/zinc/54/67/14/530546714.db2.gz XYXZIWQRHQEWGN-UONOGXRCSA-N 0 3 376.519 0.584 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H]1CCCOCC1 ZINC000567685671 530546995 /nfs/dbraw/zinc/54/69/95/530546995.db2.gz HZWKNRRVETUIFF-CQSZACIVSA-N 0 3 390.527 0.869 20 0 GCADHN O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1nc2cc(Br)cnc2[n-]1 ZINC000567730637 530547763 /nfs/dbraw/zinc/54/77/63/530547763.db2.gz LCDAAQBURMWFFV-JTQLQIEISA-N 0 3 395.261 0.595 20 0 GCADHN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000567862789 530549589 /nfs/dbraw/zinc/54/95/89/530549589.db2.gz UMLIAEXGWGIVOZ-QMMMGPOBSA-N 0 3 385.305 0.868 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cnn(C)c2C(F)(F)F)CCSC1 ZINC000445151034 530549717 /nfs/dbraw/zinc/54/97/17/530549717.db2.gz KSKZOLJXMBHQSS-CYBMUJFWSA-N 0 3 379.408 0.931 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cnc(NC(C)=O)s2)CC1 ZINC000330688592 530523451 /nfs/dbraw/zinc/52/34/51/530523451.db2.gz VBPIYKPLBDDBRX-NSHDSACASA-N 0 3 375.520 0.406 20 0 GCADHN CCCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000330734594 530524837 /nfs/dbraw/zinc/52/48/37/530524837.db2.gz VBCMXRSWJCGTSV-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Br ZINC000563450656 530526371 /nfs/dbraw/zinc/52/63/71/530526371.db2.gz WZGINJWMEZWLNF-AAEUAGOBSA-N 0 3 395.257 0.466 20 0 GCADHN CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000563616033 530527183 /nfs/dbraw/zinc/52/71/83/530527183.db2.gz KNXVIUMBVSOLSO-SECBINFHSA-N 0 3 379.408 0.222 20 0 GCADHN CN1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@H](CN)C1 ZINC000567899767 530550040 /nfs/dbraw/zinc/55/00/40/530550040.db2.gz UNPWHHVKXMNSIF-GFCCVEGCSA-N 0 3 384.274 0.864 20 0 GCADHN CN1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H](CN)C1 ZINC000567892469 530550083 /nfs/dbraw/zinc/55/00/83/530550083.db2.gz AHDVXKQDHWATFS-SNVBAGLBSA-N 0 3 395.312 0.373 20 0 GCADHN CCC1(CC)[C@H](NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H]1OC ZINC000411629758 530529161 /nfs/dbraw/zinc/52/91/61/530529161.db2.gz FFXAMAQLPXBDNU-UPJWGTAASA-N 0 3 375.491 0.183 20 0 GCADHN C[C@](N)(C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(Br)cc1 ZINC000566497021 530531269 /nfs/dbraw/zinc/53/12/69/530531269.db2.gz WMSBYQAQGPSIQV-HEHGZKQESA-N 0 3 381.274 0.393 20 0 GCADHN COC(=O)c1sccc1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000443290366 530532010 /nfs/dbraw/zinc/53/20/10/530532010.db2.gz BOXHRUDANDWQMI-LBPRGKRZSA-N 0 3 376.500 0.906 20 0 GCADHN O=S(=O)(NCC1CCN(CCO)CC1)c1cncc(Br)c1 ZINC000443297054 530532476 /nfs/dbraw/zinc/53/24/76/530532476.db2.gz QGVKVFJMYCLSFV-UHFFFAOYSA-N 0 3 378.292 0.827 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)s1 ZINC000443325748 530533360 /nfs/dbraw/zinc/53/33/60/530533360.db2.gz YHXKUKNVOQLPHS-UHFFFAOYSA-N 0 3 375.516 0.367 20 0 GCADHN CCN(CCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C)C1CC1 ZINC000566759804 530534265 /nfs/dbraw/zinc/53/42/65/530534265.db2.gz YQDRCFXZJWLSCT-OAHLLOKOSA-N 0 3 375.539 0.431 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566915927 530535113 /nfs/dbraw/zinc/53/51/13/530535113.db2.gz QDQCQHHEWFLPNE-QWHCGFSZSA-N 0 3 375.516 0.733 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3Br)CCN2C1=O ZINC000567180731 530538713 /nfs/dbraw/zinc/53/87/13/530538713.db2.gz RWHSKAQOWNRNEP-ONGXEEELSA-N 0 3 381.230 0.158 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)NCC1CCN(CCO)CC1 ZINC000154194940 530539024 /nfs/dbraw/zinc/53/90/24/530539024.db2.gz FBRGXTHXZMVVOE-UHFFFAOYSA-N 0 3 388.262 0.592 20 0 GCADHN C[C@@H](NC(=O)c1nn(C)cc1Br)C(=O)NCCN1CCCCC1 ZINC000567219646 530539562 /nfs/dbraw/zinc/53/95/62/530539562.db2.gz RDBCZUKGBUOZLJ-LLVKDONJSA-N 0 3 386.294 0.903 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCc2ccccc2C1 ZINC000567292679 530540810 /nfs/dbraw/zinc/54/08/10/530540810.db2.gz XNPMNMLDSBGZAC-WQVCFCJDSA-N 0 3 385.507 0.651 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)C1(C)C ZINC000444129169 530542524 /nfs/dbraw/zinc/54/25/24/530542524.db2.gz HXLUEDAMUXAORJ-WMLDXEAASA-N 0 3 375.535 0.791 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000331211885 530542663 /nfs/dbraw/zinc/54/26/63/530542663.db2.gz ZHHPIQDFTPXYNN-JYJNAYRXSA-N 0 3 375.535 0.758 20 0 GCADHN CN(CC(=O)N1CCN(C)C[C@H]1CN)S(=O)(=O)c1ccc(Cl)s1 ZINC000573719494 530582891 /nfs/dbraw/zinc/58/28/91/530582891.db2.gz SPMCAFXPOTZWPL-SNVBAGLBSA-N 0 3 380.923 0.123 20 0 GCADHN CS[C@@H]1CN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@@H]1N(C)C ZINC000425414459 530552170 /nfs/dbraw/zinc/55/21/70/530552170.db2.gz CXAXXISVQLJDJY-JKSUJKDBSA-N 0 3 385.555 0.684 20 0 GCADHN CSc1ccc([C@@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)N(C)C)cc1 ZINC000568069838 530553234 /nfs/dbraw/zinc/55/32/34/530553234.db2.gz QTIXWRSYMHCBBA-OAHLLOKOSA-N 0 3 388.559 0.866 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCCCS(C)(=O)=O ZINC000425466314 530553786 /nfs/dbraw/zinc/55/37/86/530553786.db2.gz OTWWIKFMZKRPKO-AWEZNQCLSA-N 0 3 376.523 0.053 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cn(C)nc2C(F)(F)F)CCSC1 ZINC000446673703 530554599 /nfs/dbraw/zinc/55/45/99/530554599.db2.gz ZOIOKKITJUTNSR-ZDUSSCGKSA-N 0 3 379.408 0.931 20 0 GCADHN COCCO[C@H]1COCC[C@H]1NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639060968 530555426 /nfs/dbraw/zinc/55/54/26/530555426.db2.gz KCZVURXDTKFJET-KGLIPLIRSA-N 0 3 378.878 0.898 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000568268252 530557746 /nfs/dbraw/zinc/55/77/46/530557746.db2.gz UDYNVYZEFZBYFC-CABZTGNLSA-N 0 3 383.202 0.741 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(Br)cn1 ZINC000568287815 530557779 /nfs/dbraw/zinc/55/77/79/530557779.db2.gz LCNZIDBIJCUJJN-DLOVCJGASA-N 0 3 382.262 0.859 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3n[nH]c4ccc(Br)cc43)CCN2C1=O ZINC000568296231 530557818 /nfs/dbraw/zinc/55/78/18/530557818.db2.gz CLKGVUZANILHFG-KOLCDFICSA-N 0 3 378.230 0.709 20 0 GCADHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)CCNS(=O)(=O)CC)C1 ZINC000447203795 530558975 /nfs/dbraw/zinc/55/89/75/530558975.db2.gz OCIHVIDMXBIVOF-AWEZNQCLSA-N 0 3 383.580 0.746 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1C(F)(F)F ZINC000563821894 530561406 /nfs/dbraw/zinc/56/14/06/530561406.db2.gz MBLQMCUFPLHWKN-GWCFXTLKSA-N 0 3 377.388 0.946 20 0 GCADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@H](OC)C2CCOCC2)C1 ZINC000639101683 530561505 /nfs/dbraw/zinc/56/15/05/530561505.db2.gz FOMVAYHBZQYLRN-IRXDYDNUSA-N 0 3 378.535 0.800 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)[C@@H](CN)C1 ZINC000568731865 530562681 /nfs/dbraw/zinc/56/26/81/530562681.db2.gz JQTXVOMUOAVFTE-AWEZNQCLSA-N 0 3 383.290 0.209 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N(C)CCN(C)C1CC1 ZINC000568704641 530562699 /nfs/dbraw/zinc/56/26/99/530562699.db2.gz ZFQXXWNOASYTAG-HNNXBMFYSA-N 0 3 375.539 0.383 20 0 GCADHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000447776674 530563212 /nfs/dbraw/zinc/56/32/12/530563212.db2.gz CNGODLUJOZLGLR-GASCZTMLSA-N 0 3 397.607 0.944 20 0 GCADHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000447782857 530563388 /nfs/dbraw/zinc/56/33/88/530563388.db2.gz JVVCJWLYLSGLIK-AWEZNQCLSA-N 0 3 383.580 0.698 20 0 GCADHN CN(C)C1(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)CCCCCC1 ZINC000447794107 530563433 /nfs/dbraw/zinc/56/34/33/530563433.db2.gz JCIVOXKKKHLAPR-UHFFFAOYSA-N 0 3 383.580 0.842 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000451517749 530583356 /nfs/dbraw/zinc/58/33/56/530583356.db2.gz ODLQNPOFCXULMF-BBBLOLIVSA-N 0 3 391.364 0.463 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)[C@H](CN)C1 ZINC000569086986 530566590 /nfs/dbraw/zinc/56/65/90/530566590.db2.gz MJUAPOSGPMCUSH-SKDRFNHKSA-N 0 3 387.267 0.644 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)CCN2C1=O ZINC000572618380 530570235 /nfs/dbraw/zinc/57/02/35/530570235.db2.gz WZPDMSJNXUOZED-DGCLKSJQSA-N 0 3 382.251 0.954 20 0 GCADHN C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000617504250 530571962 /nfs/dbraw/zinc/57/19/62/530571962.db2.gz MMZXKJIXZPZJSU-KBPBESRZSA-N 0 3 390.575 0.803 20 0 GCADHN C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000617504079 530571973 /nfs/dbraw/zinc/57/19/73/530571973.db2.gz GWUJHJKOURRMFI-ZDUSSCGKSA-N 0 3 376.548 0.415 20 0 GCADHN CCNC(=O)N1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)CC1 ZINC000451007820 530572002 /nfs/dbraw/zinc/57/20/02/530572002.db2.gz VREVVJNMBHAQOP-JTQLQIEISA-N 0 3 389.396 0.547 20 0 GCADHN O=S(=O)(NC[C@@H]1CNCCO1)c1ccc(I)cc1 ZINC000134261513 530573980 /nfs/dbraw/zinc/57/39/80/530573980.db2.gz XBXVMJBCQPUIEB-JTQLQIEISA-N 0 3 382.223 0.558 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000451192098 530574600 /nfs/dbraw/zinc/57/46/00/530574600.db2.gz HUOHPJSJYSLXNH-IUCAKERBSA-N 0 3 383.410 0.565 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000451192099 530574763 /nfs/dbraw/zinc/57/47/63/530574763.db2.gz HUOHPJSJYSLXNH-RKDXNWHRSA-N 0 3 383.410 0.565 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000451212471 530574771 /nfs/dbraw/zinc/57/47/71/530574771.db2.gz PNKBINKUSWNGTO-QWRGUYRKSA-N 0 3 390.380 0.037 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000451191769 530575081 /nfs/dbraw/zinc/57/50/81/530575081.db2.gz NNXPPFQNXYMUON-KXUCPTDWSA-N 0 3 397.437 0.954 20 0 GCADHN CN1CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)[C@@H](CN)C1 ZINC000573091806 530575111 /nfs/dbraw/zinc/57/51/11/530575111.db2.gz DDQHADLYISOOQA-AWEZNQCLSA-N 0 3 398.305 0.463 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc1 ZINC000582160927 530575542 /nfs/dbraw/zinc/57/55/42/530575542.db2.gz YBKDKVBJIZQZSU-UHFFFAOYSA-N 0 3 387.527 0.747 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000451238374 530575926 /nfs/dbraw/zinc/57/59/26/530575926.db2.gz YOWXEYIYPBWKGO-DTWKUNHWSA-N 0 3 381.394 0.319 20 0 GCADHN C[C@@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC[C@H]1N1CCN(C)CC1 ZINC000367053660 530576030 /nfs/dbraw/zinc/57/60/30/530576030.db2.gz RXFWUKCCUGOZLB-BZUAXINKSA-N 0 3 389.587 0.391 20 0 GCADHN O=S(=O)(NCCNC[C@H](O)Cn1cccn1)c1ccc(F)cc1Cl ZINC000573238220 530577700 /nfs/dbraw/zinc/57/77/00/530577700.db2.gz VFLWHVJNHFFLCZ-LBPRGKRZSA-N 0 3 376.841 0.605 20 0 GCADHN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000327755000 530578165 /nfs/dbraw/zinc/57/81/65/530578165.db2.gz HBSXUDYKNNGZBF-HZPDHXFCSA-N 0 3 375.535 0.616 20 0 GCADHN COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000573331383 530578926 /nfs/dbraw/zinc/57/89/26/530578926.db2.gz YODSZWSQOPLCPD-LLVKDONJSA-N 0 3 382.360 0.759 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@@H]1CC(C)=O ZINC000451389075 530578944 /nfs/dbraw/zinc/57/89/44/530578944.db2.gz PIYCXDCGMLEWCQ-QWRGUYRKSA-N 0 3 375.365 0.880 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCSC[C@@H]1C(N)=O ZINC000451375775 530579306 /nfs/dbraw/zinc/57/93/06/530579306.db2.gz LAQUCWOLFGJAAF-HTQZYQBOSA-N 0 3 378.394 0.103 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000573473708 530580399 /nfs/dbraw/zinc/58/03/99/530580399.db2.gz JXLRPBICOQZSFB-ZDUSSCGKSA-N 0 3 386.543 0.918 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000451447310 530580661 /nfs/dbraw/zinc/58/06/61/530580661.db2.gz SDLLNPWAHIGTMP-NWDGAFQWSA-N 0 3 390.424 0.589 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)Nc1cccc2c1CCNC2 ZINC000573546418 530580956 /nfs/dbraw/zinc/58/09/56/530580956.db2.gz HSQGRHOKHZGYQY-UHFFFAOYSA-N 0 3 384.527 0.832 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000451465386 530581263 /nfs/dbraw/zinc/58/12/63/530581263.db2.gz PDTDCVTXUFWGIG-NXEZZACHSA-N 0 3 395.421 0.709 20 0 GCADHN O=C1[C@@H](NC[C@H](O)COc2cccc(Br)c2)CCCN1CCO ZINC000583565268 530581357 /nfs/dbraw/zinc/58/13/57/530581357.db2.gz XUCAOAIZBMTZGG-ZFWWWQNUSA-N 0 3 387.274 0.762 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000451467777 530581495 /nfs/dbraw/zinc/58/14/95/530581495.db2.gz SZOLRQHLIMRHJD-NXEZZACHSA-N 0 3 395.421 0.567 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000451465388 530581609 /nfs/dbraw/zinc/58/16/09/530581609.db2.gz PDTDCVTXUFWGIG-UWVGGRQHSA-N 0 3 395.421 0.709 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000451503814 530582722 /nfs/dbraw/zinc/58/27/22/530582722.db2.gz RNYKJXHLQJKUSE-BDAKNGLRSA-N 0 3 381.394 0.319 20 0 GCADHN CCC[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCNCC2)CCN1CCOC ZINC000567981673 530551440 /nfs/dbraw/zinc/55/14/40/530551440.db2.gz TZKDABUECIEBEY-OAHLLOKOSA-N 0 3 375.535 0.113 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)N2C ZINC000451924066 530592624 /nfs/dbraw/zinc/59/26/24/530592624.db2.gz BHGPAEQQAWSRGF-AGUYFDCRSA-N 0 3 387.527 0.888 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000536598784 530593107 /nfs/dbraw/zinc/59/31/07/530593107.db2.gz MGWFRTOLPJCYON-LBPRGKRZSA-N 0 3 390.531 0.816 20 0 GCADHN CCO[C@@H]1CCCC[C@H]1NCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000452035867 530597738 /nfs/dbraw/zinc/59/77/38/530597738.db2.gz XZBQGQCYLWSNTH-ARFHVFGLSA-N 0 3 376.519 0.586 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000527385949 530598816 /nfs/dbraw/zinc/59/88/16/530598816.db2.gz QRFJTGPULQKRCN-CYBMUJFWSA-N 0 3 388.559 0.689 20 0 GCADHN O=S(=O)(CCNCCN1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000629616995 530599240 /nfs/dbraw/zinc/59/92/40/530599240.db2.gz DJGVKOVFJHAPCR-ZDUSSCGKSA-N 0 3 377.304 0.879 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000519655964 530599272 /nfs/dbraw/zinc/59/92/72/530599272.db2.gz YNWNRZCUVFANPM-WOFXILAISA-N 0 3 397.806 0.971 20 0 GCADHN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)[C@H](C)CN1 ZINC000519813117 530601156 /nfs/dbraw/zinc/60/11/56/530601156.db2.gz GWNWBNLAVQDLMN-GHMZBOCLSA-N 0 3 376.429 0.635 20 0 GCADHN CO[C@H]1CC[C@H](NCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000575862896 530602188 /nfs/dbraw/zinc/60/21/88/530602188.db2.gz WKHGQJOYTNDJQI-KBPBESRZSA-N 0 3 390.527 0.868 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCN1CCCO ZINC000452357733 530603409 /nfs/dbraw/zinc/60/34/09/530603409.db2.gz FILYUTPVKWWTTE-QWHCGFSZSA-N 0 3 375.516 0.378 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452384078 530603430 /nfs/dbraw/zinc/60/34/30/530603430.db2.gz PYWUSFICXYBSSZ-CQSZACIVSA-N 0 3 386.290 0.964 20 0 GCADHN CCCCN(C(=O)C(C)S(=O)(=O)C1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000532194015 530603930 /nfs/dbraw/zinc/60/39/30/530603930.db2.gz LFNBKZUVPHQVCN-KGLIPLIRSA-N 0 3 395.543 0.785 20 0 GCADHN C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000669541369 530604308 /nfs/dbraw/zinc/60/43/08/530604308.db2.gz YRMNOYDPSSNELR-UWVGGRQHSA-N 0 3 396.922 0.437 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000576098017 530605158 /nfs/dbraw/zinc/60/51/58/530605158.db2.gz HYSZQIRCDRBXPH-LSDHHAIUSA-N 0 3 375.539 0.383 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000576098016 530605323 /nfs/dbraw/zinc/60/53/23/530605323.db2.gz HYSZQIRCDRBXPH-HUUCEWRRSA-N 0 3 375.539 0.383 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452800887 530606393 /nfs/dbraw/zinc/60/63/93/530606393.db2.gz XIMPWKGNBIYDNI-JKSUJKDBSA-N 0 3 375.535 0.544 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452800885 530606434 /nfs/dbraw/zinc/60/64/34/530606434.db2.gz XIMPWKGNBIYDNI-HOTGVXAUSA-N 0 3 375.535 0.544 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H]1CCCCN1CCO ZINC000452800015 530606799 /nfs/dbraw/zinc/60/67/99/530606799.db2.gz QVGZHCNLLSOWEC-UONOGXRCSA-N 0 3 381.564 0.010 20 0 GCADHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000266131386 530607010 /nfs/dbraw/zinc/60/70/10/530607010.db2.gz AZVLSQAOGARKIP-CZUORRHYSA-N 0 3 389.543 0.898 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453562937 530608291 /nfs/dbraw/zinc/60/82/91/530608291.db2.gz CLRZBZWJHZESDB-JTQLQIEISA-N 0 3 395.257 0.975 20 0 GCADHN Cc1cc(Br)ccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576411826 530608408 /nfs/dbraw/zinc/60/84/08/530608408.db2.gz UMUABPKZXRNZAW-RYUDHWBXSA-N 0 3 388.287 0.690 20 0 GCADHN CCCN(CCC)S(=O)(=O)N1CCN(C[C@H](O)CN(C)C2CC2)CC1 ZINC000576552588 530609763 /nfs/dbraw/zinc/60/97/63/530609763.db2.gz KKTCJRKSHDWMHL-QGZVFWFLSA-N 0 3 376.567 0.426 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000576687942 530610834 /nfs/dbraw/zinc/61/08/34/530610834.db2.gz FWHWNYCMTWBMQC-ZIAGYGMSSA-N 0 3 397.273 0.842 20 0 GCADHN C[C@@H](CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)N1CCCCC1 ZINC000576736118 530611706 /nfs/dbraw/zinc/61/17/06/530611706.db2.gz APYVQWUEWRYMKX-ZDUSSCGKSA-N 0 3 375.516 0.877 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000266239532 530612479 /nfs/dbraw/zinc/61/24/79/530612479.db2.gz VWMHALBEGXVOLI-WFASDCNBSA-N 0 3 375.516 0.555 20 0 GCADHN O=S1(=O)CCO[C@@H](CNC[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000576864086 530613033 /nfs/dbraw/zinc/61/30/33/530613033.db2.gz PRWODYHGQCLXDC-OCCSQVGLSA-N 0 3 394.287 0.592 20 0 GCADHN O=S1(=O)CCO[C@H](CNC[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000576864087 530613224 /nfs/dbraw/zinc/61/32/24/530613224.db2.gz PRWODYHGQCLXDC-TZMCWYRMSA-N 0 3 394.287 0.592 20 0 GCADHN C[C@H](NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)C1=CCN(C)CC1 ZINC000576930883 530613662 /nfs/dbraw/zinc/61/36/62/530613662.db2.gz RXZKKKAHRMLFMX-CMPLNLGQSA-N 0 3 386.440 0.758 20 0 GCADHN C[C@@H](CNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)N(C)C ZINC000455448546 530614576 /nfs/dbraw/zinc/61/45/76/530614576.db2.gz PSPBDIUENHUAMH-NSHDSACASA-N 0 3 376.454 0.443 20 0 GCADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCCc3cccc(Cl)c3Cl)CCN2C1=O ZINC000574053270 530586405 /nfs/dbraw/zinc/58/64/05/530586405.db2.gz ARABTGVPTMKPTK-TZMCWYRMSA-N 0 3 385.295 0.896 20 0 GCADHN CN1CCC[C@@H](CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000574107946 530587016 /nfs/dbraw/zinc/58/70/16/530587016.db2.gz UUXPHQSGZPCPPT-ZDUSSCGKSA-N 0 3 387.527 0.747 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCCNS(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000574071933 530587024 /nfs/dbraw/zinc/58/70/24/530587024.db2.gz OHRMDRFJNIVVPA-MCIONIFRSA-N 0 3 377.532 0.086 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H](C)N(C)C)CC2)cs1 ZINC000455442647 530614796 /nfs/dbraw/zinc/61/47/96/530614796.db2.gz OCPHGVZJZMCQPT-NSHDSACASA-N 0 3 375.520 0.418 20 0 GCADHN CN(C)CC(C)(C)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000457237848 530623382 /nfs/dbraw/zinc/62/33/82/530623382.db2.gz LWSAAJRXUHKZFT-UHFFFAOYSA-N 0 3 389.543 0.768 20 0 GCADHN CN(C)CC(C)(C)NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000457210696 530623405 /nfs/dbraw/zinc/62/34/05/530623405.db2.gz PYEJLWUPYSCGSC-UHFFFAOYSA-N 0 3 389.543 0.902 20 0 GCADHN CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)CC1 ZINC000330036879 530624470 /nfs/dbraw/zinc/62/44/70/530624470.db2.gz CXBOOVKSRFANIS-GJZGRUSLSA-N 0 3 379.548 0.204 20 0 GCADHN CC[C@H](O)CCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000577751469 530624582 /nfs/dbraw/zinc/62/45/82/530624582.db2.gz GSRVPMGXEBCWJI-AWEZNQCLSA-N 0 3 392.543 0.851 20 0 GCADHN CCC(CC)[C@H](CNC(=O)NC[C@]1(O)CCS(=O)(=O)C1)N1CCCC1 ZINC000457611140 530624717 /nfs/dbraw/zinc/62/47/17/530624717.db2.gz KPSZPRMRJQPVMY-DOTOQJQBSA-N 0 3 375.535 0.736 20 0 GCADHN C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330053004 530624768 /nfs/dbraw/zinc/62/47/68/530624768.db2.gz PWVJTMHPWPYQEF-GJZGRUSLSA-N 0 3 395.591 0.698 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000330061497 530624987 /nfs/dbraw/zinc/62/49/87/530624987.db2.gz OJLYEEZPWMAIRL-CKEIUWERSA-N 0 3 375.487 0.765 20 0 GCADHN CCN1CCC(N(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330056035 530625018 /nfs/dbraw/zinc/62/50/18/530625018.db2.gz VFXDXJDGQUPJCO-UHFFFAOYSA-N 0 3 381.564 0.404 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@H](C)O1 ZINC000577842866 530625341 /nfs/dbraw/zinc/62/53/41/530625341.db2.gz JRGKBEJQBDLZDV-QKPAOTATSA-N 0 3 375.535 0.003 20 0 GCADHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330063993 530625434 /nfs/dbraw/zinc/62/54/34/530625434.db2.gz BXJGHAONIAYONT-DZGCQCFKSA-N 0 3 381.564 0.260 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000457787218 530625467 /nfs/dbraw/zinc/62/54/67/530625467.db2.gz ATHANVHGZXYEIP-CQSZACIVSA-N 0 3 392.591 0.975 20 0 GCADHN Cc1c(Br)cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)c(=O)n1C ZINC000577885508 530625784 /nfs/dbraw/zinc/62/57/84/530625784.db2.gz LKWXHIKSSCTVFJ-MRXNPFEDSA-N 0 3 384.274 0.643 20 0 GCADHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330138465 530627254 /nfs/dbraw/zinc/62/72/54/530627254.db2.gz IIDFKFHPIYGFEL-OAHLLOKOSA-N 0 3 381.564 0.261 20 0 GCADHN CCN(CC)C(=O)[C@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330147884 530627452 /nfs/dbraw/zinc/62/74/52/530627452.db2.gz LYHBLEMOOHWSBE-GXTWGEPZSA-N 0 3 392.543 0.739 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(N4CCCS4(=O)=O)cc3)C[C@@H]2C1 ZINC000330180823 530628199 /nfs/dbraw/zinc/62/81/99/530628199.db2.gz NOFOYRPCLYAOGJ-OKILXGFUSA-N 0 3 385.511 0.409 20 0 GCADHN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330170364 530628632 /nfs/dbraw/zinc/62/86/32/530628632.db2.gz XBSQDRVLIXKNLF-TZMCWYRMSA-N 0 3 392.543 0.737 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000458202006 530630293 /nfs/dbraw/zinc/63/02/93/530630293.db2.gz MWMXCEYTKQQIFW-UHFFFAOYSA-N 0 3 385.515 0.573 20 0 GCADHN CN(C)S(=O)(=O)N[C@@H](CNC(=O)NCCN(C)C1CC1)C1CCCC1 ZINC000458390693 530630989 /nfs/dbraw/zinc/63/09/89/530630989.db2.gz RFYKUONSSGVPGU-HNNXBMFYSA-N 0 3 375.539 0.335 20 0 GCADHN CN(C)CCOCCNC(=O)NCCn1cc(Br)ccc1=O ZINC000458690299 530632433 /nfs/dbraw/zinc/63/24/33/530632433.db2.gz JCPKQDSCCVLOBL-UHFFFAOYSA-N 0 3 375.267 0.488 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000458955140 530634925 /nfs/dbraw/zinc/63/49/25/530634925.db2.gz AVFPDKHZHAMMSZ-OAHLLOKOSA-N 0 3 376.523 0.068 20 0 GCADHN Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000349460630 530639806 /nfs/dbraw/zinc/63/98/06/530639806.db2.gz IZKYXCNQXOOORT-CYBMUJFWSA-N 0 3 393.535 0.063 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1C ZINC000332256229 530643243 /nfs/dbraw/zinc/64/32/43/530643243.db2.gz CQAKLHWVKCVVQD-LSDHHAIUSA-N 0 3 387.527 0.808 20 0 GCADHN CN(C)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C[C@@H]1O ZINC000583640267 530616104 /nfs/dbraw/zinc/61/61/04/530616104.db2.gz GHIFROTZVIYQPB-UWVGGRQHSA-N 0 3 381.907 0.155 20 0 GCADHN NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)c1 ZINC000329623789 530616800 /nfs/dbraw/zinc/61/68/00/530616800.db2.gz NXDWIQPSRGYGSX-CQSZACIVSA-N 0 3 387.527 0.831 20 0 GCADHN O=S1(=O)C[C@H](N2CCOCC2)[C@H](NC2CCN(CC(F)(F)F)CC2)C1 ZINC000329707359 530619453 /nfs/dbraw/zinc/61/94/53/530619453.db2.gz LOCNLPPMJMEVBN-KGLIPLIRSA-N 0 3 385.452 0.101 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCOc3ncc(Cl)cc3Cl)CCN2C1=O ZINC000577389850 530620030 /nfs/dbraw/zinc/62/00/30/530620030.db2.gz WUKYVTYCFIPYGB-PWSUYJOCSA-N 0 3 388.255 0.721 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC2CC[NH2+]CC2)s1 ZINC000577492455 530621119 /nfs/dbraw/zinc/62/11/19/530621119.db2.gz OWBNWZANXQJNGS-UHFFFAOYSA-N 0 3 395.572 0.508 20 0 GCADHN C[C@H](O)C[C@H]1CCCCCN1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639640465 530680226 /nfs/dbraw/zinc/68/02/26/530680226.db2.gz DPWJMURVCSJDCY-GOEBONIOSA-N 0 3 375.535 0.542 20 0 GCADHN C[C@@H](O)C[C@H]1CCCCCN1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639640464 530680270 /nfs/dbraw/zinc/68/02/70/530680270.db2.gz DPWJMURVCSJDCY-GDBMZVCRSA-N 0 3 375.535 0.542 20 0 GCADHN CC(C)O[C@@H]1C[C@H](NCC(=O)NC2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000639662546 530681200 /nfs/dbraw/zinc/68/12/00/530681200.db2.gz LQQTVGDYBQPYRP-LSDHHAIUSA-N 0 3 375.535 0.708 20 0 GCADHN CCN1C[C@@H](C)N(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@@H]1C ZINC000498930481 530645047 /nfs/dbraw/zinc/64/50/47/530645047.db2.gz UTMBUUAGLWOGKD-JKSUJKDBSA-N 0 3 376.567 0.577 20 0 GCADHN N[C@H](CC(F)F)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000498191680 530645659 /nfs/dbraw/zinc/64/56/59/530645659.db2.gz JSPGAJKVIBLNSK-CYBMUJFWSA-N 0 3 377.413 0.306 20 0 GCADHN N[C@@H](CC(F)F)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000498196261 530647388 /nfs/dbraw/zinc/64/73/88/530647388.db2.gz RXELDBUALDYLOT-JTQLQIEISA-N 0 3 383.442 0.368 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H](N)CC(F)F)CC1 ZINC000498197501 530648026 /nfs/dbraw/zinc/64/80/26/530648026.db2.gz YSLMGYNXSNEYAF-LLVKDONJSA-N 0 3 380.417 0.497 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H](N)CC(F)F)CC1 ZINC000498197505 530648363 /nfs/dbraw/zinc/64/83/63/530648363.db2.gz YSLMGYNXSNEYAF-NSHDSACASA-N 0 3 380.417 0.497 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000462409673 530650839 /nfs/dbraw/zinc/65/08/39/530650839.db2.gz MMXBJOZVCPKDEB-CQSZACIVSA-N 0 3 377.463 0.571 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000462503365 530652127 /nfs/dbraw/zinc/65/21/27/530652127.db2.gz JWWXAPNMJSPFIY-UHFFFAOYSA-N 0 3 378.564 0.491 20 0 GCADHN COc1ccccc1[C@H](C)S(=O)(=O)C(C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000463063498 530655523 /nfs/dbraw/zinc/65/55/23/530655523.db2.gz GYLODJYOILKJNV-XQQFMLRXSA-N 0 3 389.495 0.863 20 0 GCADHN COc1ccccc1[C@H](C)S(=O)(=O)C(C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000463063499 530655701 /nfs/dbraw/zinc/65/57/01/530655701.db2.gz GYLODJYOILKJNV-YNEHKIRRSA-N 0 3 389.495 0.863 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000463217527 530656035 /nfs/dbraw/zinc/65/60/35/530656035.db2.gz DNDGCKMGXJGCHU-LLVKDONJSA-N 0 3 377.413 0.612 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000333506992 530659888 /nfs/dbraw/zinc/65/98/88/530659888.db2.gz INDHKWRUCFMPMM-SECBINFHSA-N 0 3 380.396 0.377 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000333506995 530659961 /nfs/dbraw/zinc/65/99/61/530659961.db2.gz INDHKWRUCFMPMM-VIFPVBQESA-N 0 3 380.396 0.377 20 0 GCADHN CN1CCC(CNS(=O)(=O)CC2CC(F)(F)C2)(N2CCOCC2)CC1 ZINC000333918111 530663859 /nfs/dbraw/zinc/66/38/59/530663859.db2.gz OCVCPGIQORNVKV-UHFFFAOYSA-N 0 3 381.489 0.748 20 0 GCADHN CN1CCC(CNS(=O)(=O)C[C@@H]2CCCCO2)(N2CCOCC2)CC1 ZINC000333931177 530664698 /nfs/dbraw/zinc/66/46/98/530664698.db2.gz ZVFGGISHFBBTFM-INIZCTEOSA-N 0 3 375.535 0.272 20 0 GCADHN CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@H](N)CC(F)F)cn2)CC1 ZINC000645974717 530665768 /nfs/dbraw/zinc/66/57/68/530665768.db2.gz WJBJFVRTYFQABV-LLVKDONJSA-N 0 3 377.417 0.084 20 0 GCADHN CCN(CCCNC(=O)N(CCN(C)C)C[C@H]1CCCO1)S(C)(=O)=O ZINC000465720550 530667226 /nfs/dbraw/zinc/66/72/26/530667226.db2.gz JNCAMYZFHUILKZ-OAHLLOKOSA-N 0 3 378.539 0.410 20 0 GCADHN CCC(CC)[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)N(C)C ZINC000526340408 530668069 /nfs/dbraw/zinc/66/80/69/530668069.db2.gz OFMDAZICLDTWTO-OAHLLOKOSA-N 0 3 377.532 0.979 20 0 GCADHN O=S(=O)(NCc1cn(Cc2ccc(F)cc2Cl)nn1)N1CCNCC1 ZINC000640797477 530670236 /nfs/dbraw/zinc/67/02/36/530670236.db2.gz AGRMIDPTHNENGD-UHFFFAOYSA-N 0 3 388.856 0.359 20 0 GCADHN CSC1(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)CCN(C)CC1 ZINC000580381008 530671437 /nfs/dbraw/zinc/67/14/37/530671437.db2.gz JMPRENIEWZQLCZ-UHFFFAOYSA-N 0 3 387.593 0.015 20 0 GCADHN COC(=O)c1c(F)cccc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000532775499 530672806 /nfs/dbraw/zinc/67/28/06/530672806.db2.gz WMWMVQGUBXERCJ-UHFFFAOYSA-N 0 3 375.466 0.726 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(Br)c(F)cc2F)C1 ZINC000467184073 530673379 /nfs/dbraw/zinc/67/33/79/530673379.db2.gz UQVJXKAGGXFTTN-CQSZACIVSA-N 0 3 392.200 0.849 20 0 GCADHN CN(CC(=O)NCC1(O)CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000467485884 530674515 /nfs/dbraw/zinc/67/45/15/530674515.db2.gz XUPHOZXHNSLKQT-UHFFFAOYSA-N 0 3 389.905 0.533 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000468904160 530677059 /nfs/dbraw/zinc/67/70/59/530677059.db2.gz JIJIBLPJVNXXQU-GFCCVEGCSA-N 0 3 375.516 0.839 20 0 GCADHN CC(C)C[C@H]1OCCC[C@@H]1NCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639594184 530678259 /nfs/dbraw/zinc/67/82/59/530678259.db2.gz ZKOYBWYJVHVFKR-JKSUJKDBSA-N 0 3 375.535 0.710 20 0 GCADHN CCC1(CC)[C@H](NCC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@H]1OC ZINC000639613035 530679149 /nfs/dbraw/zinc/67/91/49/530679149.db2.gz PMKKWWOPRFTQIU-HUUCEWRRSA-N 0 3 375.535 0.710 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368126467 530720132 /nfs/dbraw/zinc/72/01/32/530720132.db2.gz RFGLAKYOEOTHIO-NSHDSACASA-N 0 3 385.262 0.560 20 0 GCADHN CC(C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000469119124 530685996 /nfs/dbraw/zinc/68/59/96/530685996.db2.gz SNCLXUHIMANRQV-BDJLRTHQSA-N 0 3 379.475 0.178 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2csc(C(=O)OC)c2)CC1 ZINC000469169135 530686032 /nfs/dbraw/zinc/68/60/32/530686032.db2.gz USVJIKAVEYQDSK-LBPRGKRZSA-N 0 3 375.516 0.839 20 0 GCADHN CCCCN(C(=O)CN1CC[C@H](OC)C[C@@H]1CN)[C@H]1CCS(=O)(=O)C1 ZINC000563958153 530686911 /nfs/dbraw/zinc/68/69/11/530686911.db2.gz NJGGOBXCQDZBQQ-XHSDSOJGSA-N 0 3 375.535 0.240 20 0 GCADHN O=S(=O)(NCc1cn(Cc2cc(Cl)ccc2F)nn1)N1CCNCC1 ZINC000640943091 530686977 /nfs/dbraw/zinc/68/69/77/530686977.db2.gz RCIHGZBATJZJTE-UHFFFAOYSA-N 0 3 388.856 0.359 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000470080190 530693083 /nfs/dbraw/zinc/69/30/83/530693083.db2.gz UVURICROZPHVSN-LSDHHAIUSA-N 0 3 395.591 0.665 20 0 GCADHN CC(C(=O)NCCCN1CCCO[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000470105329 530693205 /nfs/dbraw/zinc/69/32/05/530693205.db2.gz OGBUGYSQNDZSJN-HUUCEWRRSA-N 0 3 376.519 0.586 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000470080189 530693237 /nfs/dbraw/zinc/69/32/37/530693237.db2.gz UVURICROZPHVSN-HUUCEWRRSA-N 0 3 395.591 0.665 20 0 GCADHN CCN(C)S(=O)(=O)CCCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349565983 530696905 /nfs/dbraw/zinc/69/69/05/530696905.db2.gz MQUKHMKLMSCHLX-UHFFFAOYSA-N 0 3 390.531 0.729 20 0 GCADHN CN(C)CCOCCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000471634477 530700625 /nfs/dbraw/zinc/70/06/25/530700625.db2.gz GKLXFGRDRYLGEI-UHFFFAOYSA-N 0 3 392.909 0.496 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000669888095 530700648 /nfs/dbraw/zinc/70/06/48/530700648.db2.gz FSWHKFSKGDKSHQ-UHFFFAOYSA-N 0 3 376.523 0.255 20 0 GCADHN CS(=O)(=O)NC1CC(NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000669889558 530701691 /nfs/dbraw/zinc/70/16/91/530701691.db2.gz DSGCJDPPTHRINA-UHFFFAOYSA-N 0 3 390.575 0.727 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000472899422 530709645 /nfs/dbraw/zinc/70/96/45/530709645.db2.gz PQXVDIHLEDEQCO-GFCCVEGCSA-N 0 3 389.547 0.221 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000473284882 530711035 /nfs/dbraw/zinc/71/10/35/530711035.db2.gz VPJQOYGQWJRPJK-MRXNPFEDSA-N 0 3 389.543 0.965 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000473259333 530711094 /nfs/dbraw/zinc/71/10/94/530711094.db2.gz DAXWHDCLKYVFKF-XJKSGUPXSA-N 0 3 389.543 0.720 20 0 GCADHN C[C@H]1CN(CCC2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000363315885 530712554 /nfs/dbraw/zinc/71/25/54/530712554.db2.gz ARVFWZXAXZTXIN-GJZGRUSLSA-N 0 3 375.535 0.616 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000367608888 530714256 /nfs/dbraw/zinc/71/42/56/530714256.db2.gz TZRQICHTOIUQLX-NSHDSACASA-N 0 3 392.934 0.186 20 0 GCADHN C[C@@H](CCS(C)(=O)=O)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000474245096 530716334 /nfs/dbraw/zinc/71/63/34/530716334.db2.gz CKHXIDKADGPOEH-KBPBESRZSA-N 0 3 376.523 0.052 20 0 GCADHN CN1CC[C@@]2(CCN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C)C2)C1 ZINC000349607057 530717927 /nfs/dbraw/zinc/71/79/27/530717927.db2.gz YLIANPYBFJNGTG-MRXNPFEDSA-N 0 3 395.591 0.842 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(C(=O)OC)s2)CC1 ZINC000525894783 530684727 /nfs/dbraw/zinc/68/47/27/530684727.db2.gz PYCXKCYNFPFBAA-GFCCVEGCSA-N 0 3 375.516 0.839 20 0 GCADHN CCO[C@@H]1C[C@@](O)(CNC(=O)C(C)S(=O)(=O)C2CCOCC2)C1(C)C ZINC000476850703 530736541 /nfs/dbraw/zinc/73/65/41/530736541.db2.gz KBANPYQTQRLRSN-DXCKQFNASA-N 0 3 377.503 0.651 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)c1OC ZINC000579007111 530737772 /nfs/dbraw/zinc/73/77/72/530737772.db2.gz XWJBKIZQAJCYQN-LLVKDONJSA-N 0 3 391.877 0.317 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1F ZINC000370100812 530738336 /nfs/dbraw/zinc/73/83/36/530738336.db2.gz HYBYWCQQRNEUMQ-HZMBPMFUSA-N 0 3 377.463 0.570 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)CC[C@H]1CCCCO1)C(=O)NCCN(C)C ZINC000641398928 530739291 /nfs/dbraw/zinc/73/92/91/530739291.db2.gz LFANLPPAVICOSB-CVEARBPZSA-N 0 3 377.551 0.958 20 0 GCADHN CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000477550747 530744831 /nfs/dbraw/zinc/74/48/31/530744831.db2.gz FREXFVPMTAKCTA-LBPRGKRZSA-N 0 3 394.563 0.505 20 0 GCADHN CN1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@H](CN)C1 ZINC000579350933 530741680 /nfs/dbraw/zinc/74/16/80/530741680.db2.gz ABEWDJDCIUINMO-HUUCEWRRSA-N 0 3 395.301 0.903 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NC1CCN(CC2CCCC2)CC1 ZINC000370380071 530742057 /nfs/dbraw/zinc/74/20/57/530742057.db2.gz JRNKMRRDLABKOL-UHFFFAOYSA-N 0 3 381.564 0.500 20 0 GCADHN CC1(C)CN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CCN1 ZINC000477348970 530742390 /nfs/dbraw/zinc/74/23/90/530742390.db2.gz IJRNYOHIVPEXMV-UHFFFAOYSA-N 0 3 387.527 0.656 20 0 GCADHN O=C(Nc1ccc(I)cc1Cl)C(=O)NC1CNC1 ZINC000579449800 530743098 /nfs/dbraw/zinc/74/30/98/530743098.db2.gz FPQJQDGUANTFNE-UHFFFAOYSA-N 0 3 379.585 0.971 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NC[C@@H]1C[C@H](F)CN1 ZINC000368378548 530722731 /nfs/dbraw/zinc/72/27/31/530722731.db2.gz OZKSUWDJBWZRBI-RYUDHWBXSA-N 0 3 375.491 0.891 20 0 GCADHN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000578073466 530725645 /nfs/dbraw/zinc/72/56/45/530725645.db2.gz MPACISVGIQHZJG-NSHDSACASA-N 0 3 390.893 0.570 20 0 GCADHN CN(C)C[C@@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000578136957 530727171 /nfs/dbraw/zinc/72/71/71/530727171.db2.gz LQXXTCODXVAWTE-CQSZACIVSA-N 0 3 390.937 0.840 20 0 GCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)NC2CCOCC2)CC1 ZINC000578277693 530729102 /nfs/dbraw/zinc/72/91/02/530729102.db2.gz KZSWHPHHPXOXFL-AWEZNQCLSA-N 0 3 375.535 0.664 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)[C@@H](CN)C1 ZINC000578426819 530731226 /nfs/dbraw/zinc/73/12/26/530731226.db2.gz PWDNLXBASYSZBY-ZDUSSCGKSA-N 0 3 399.289 0.045 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000369308391 530731462 /nfs/dbraw/zinc/73/14/62/530731462.db2.gz SYWZXSNYURPFJW-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ncccc1Br ZINC000476352248 530731785 /nfs/dbraw/zinc/73/17/85/530731785.db2.gz GJPXLYHORSYABV-UHFFFAOYSA-N 0 3 385.306 0.964 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000369322694 530732078 /nfs/dbraw/zinc/73/20/78/530732078.db2.gz SGZANEJEHHJZGV-SUHUHFCYSA-N 0 3 391.490 0.945 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)c3ccccc3S(=O)(=O)NC3CC3)C[C@@H]2C1 ZINC000578515447 530732294 /nfs/dbraw/zinc/73/22/94/530732294.db2.gz XPRYHBORJRFTOU-BETUJISGSA-N 0 3 385.511 0.309 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000476394403 530732802 /nfs/dbraw/zinc/73/28/02/530732802.db2.gz CERLNCHADFZYSV-UHFFFAOYSA-N 0 3 384.424 0.959 20 0 GCADHN CC(C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1)S(C)(=O)=O ZINC000476456889 530733347 /nfs/dbraw/zinc/73/33/47/530733347.db2.gz ZWXORPFDQAFEBK-SNVBAGLBSA-N 0 3 378.447 0.415 20 0 GCADHN COCCN(C(=O)NCC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000478410422 530749975 /nfs/dbraw/zinc/74/99/75/530749975.db2.gz VKHBTXZQZSTSIH-HNNXBMFYSA-N 0 3 375.535 0.954 20 0 GCADHN CN(C)CCN1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000193157911 530750648 /nfs/dbraw/zinc/75/06/48/530750648.db2.gz FWICMWZLGBMJGW-UHFFFAOYSA-N 0 3 387.278 0.478 20 0 GCADHN C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418164334 530750826 /nfs/dbraw/zinc/75/08/26/530750826.db2.gz HKVJHWRBXQVVAS-QWRGUYRKSA-N 0 3 376.429 0.622 20 0 GCADHN CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC([NH3+])C1 ZINC000418176375 530751624 /nfs/dbraw/zinc/75/16/24/530751624.db2.gz ULWROKDUQNJVMV-UHFFFAOYSA-N 0 3 378.857 0.889 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)NC[C@@H]1C[NH2+]CCO1 ZINC000418173134 530751786 /nfs/dbraw/zinc/75/17/86/530751786.db2.gz QBGQJFPYYMUSGP-NSHDSACASA-N 0 3 394.856 0.045 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000371590081 530755449 /nfs/dbraw/zinc/75/54/49/530755449.db2.gz KYDUHILUVYFWHW-ZDUSSCGKSA-N 0 3 387.527 0.890 20 0 GCADHN NC[C@@H](C(=O)NCCS(=O)(=O)N1CCSCC1)c1ccc(F)cc1 ZINC000479159660 530755559 /nfs/dbraw/zinc/75/55/59/530755559.db2.gz RXBVEVUWWYSJHR-CQSZACIVSA-N 0 3 375.491 0.363 20 0 GCADHN CN(C)[C@H]1CN(CC(=O)Nc2ccccc2I)C[C@@H]1O ZINC000581259327 530756126 /nfs/dbraw/zinc/75/61/26/530756126.db2.gz GZDCZAIQZYBGAD-STQMWFEESA-N 0 3 389.237 0.836 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3cccc(I)c3)CCN2C1=O ZINC000582312472 530758754 /nfs/dbraw/zinc/75/87/54/530758754.db2.gz ZGKRFOFLHAFCAR-RYUDHWBXSA-N 0 3 385.205 0.675 20 0 GCADHN COC[C@@H](C)CS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000641601365 530760536 /nfs/dbraw/zinc/76/05/36/530760536.db2.gz XFNFEOKVRBUZPP-PMPSAXMXSA-N 0 3 377.551 0.766 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)C(C)S(=O)(=O)C2CCOCC2)C1 ZINC000479885385 530760678 /nfs/dbraw/zinc/76/06/78/530760678.db2.gz JXPHXVYDEDWXGR-HUUCEWRRSA-N 0 3 376.519 0.442 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000372076381 530762043 /nfs/dbraw/zinc/76/20/43/530762043.db2.gz HBRYYFGBJHMQRG-DZGCQCFKSA-N 0 3 379.548 0.204 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Cl ZINC000581677951 530762113 /nfs/dbraw/zinc/76/21/13/530762113.db2.gz UVLICSQHGCMWBV-ZANVPECISA-N 0 3 387.845 0.059 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Cl ZINC000581677949 530762263 /nfs/dbraw/zinc/76/22/63/530762263.db2.gz UVLICSQHGCMWBV-RNCFNFMXSA-N 0 3 387.845 0.059 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000477622966 530745834 /nfs/dbraw/zinc/74/58/34/530745834.db2.gz ULAOSLFIZDFFJY-LBPRGKRZSA-N 0 3 388.515 0.426 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cncc(Br)c1 ZINC000371089778 530747991 /nfs/dbraw/zinc/74/79/91/530747991.db2.gz UZCGYGBULOXRHY-QWHCGFSZSA-N 0 3 383.246 0.762 20 0 GCADHN [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418156023 530749147 /nfs/dbraw/zinc/74/91/47/530749147.db2.gz AGTZCAOJIQWCJH-CMPLNLGQSA-N 0 3 376.429 0.670 20 0 GCADHN C[C@H](CN1CCCCCC1)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480922259 530773436 /nfs/dbraw/zinc/77/34/36/530773436.db2.gz WBZYQWYEBGBONL-OAHLLOKOSA-N 0 3 395.591 0.842 20 0 GCADHN CS[C@@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C[C@H]1N(C)C ZINC000480938115 530773805 /nfs/dbraw/zinc/77/38/05/530773805.db2.gz XJMZXMVRDARNQU-HUUCEWRRSA-N 0 3 389.591 0.728 20 0 GCADHN CS[C@@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C[C@@H]1N(C)C ZINC000480938117 530774030 /nfs/dbraw/zinc/77/40/30/530774030.db2.gz XJMZXMVRDARNQU-LSDHHAIUSA-N 0 3 389.591 0.728 20 0 GCADHN CN(C)[C@]1(CNC(=O)NCCNS(=O)(=O)c2ccccc2)CCSC1 ZINC000481041968 530775171 /nfs/dbraw/zinc/77/51/71/530775171.db2.gz UUJOHSBROQPBNC-INIZCTEOSA-N 0 3 386.543 0.701 20 0 GCADHN CC(C(=O)NCCS(=O)(=O)c1ccccc1)S(=O)(=O)C1CCOCC1 ZINC000481119032 530775856 /nfs/dbraw/zinc/77/58/56/530775856.db2.gz NLQNHLZFGMMYAI-ZDUSSCGKSA-N 0 3 389.495 0.559 20 0 GCADHN CCCc1nc(CS(=O)(=O)C(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000642541150 530776075 /nfs/dbraw/zinc/77/60/75/530776075.db2.gz LMRCNBNQTXDVRS-WDEREUQCSA-N 0 3 394.540 0.702 20 0 GCADHN CN(C)[C@@]1(CNC(=O)CSc2nnnn2CC(F)(F)F)CCSC1 ZINC000481185063 530776451 /nfs/dbraw/zinc/77/64/51/530776451.db2.gz DAWLJSFKQUGXEJ-LLVKDONJSA-N 0 3 384.453 0.881 20 0 GCADHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481494990 530778773 /nfs/dbraw/zinc/77/87/73/530778773.db2.gz GHCQIFVJXFMCPU-JTQLQIEISA-N 0 3 376.504 0.842 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2nc(C)c(S(N)(=O)=O)s2)CC1 ZINC000669966677 530780583 /nfs/dbraw/zinc/78/05/83/530780583.db2.gz QKNVUWBQOQHOCU-UHFFFAOYSA-N 0 3 375.520 0.089 20 0 GCADHN CC(C(=O)N(C)CC(=O)NCc1cccs1)S(=O)(=O)C1CCOCC1 ZINC000482180453 530783505 /nfs/dbraw/zinc/78/35/05/530783505.db2.gz PDHAUQLLNOSMGQ-LBPRGKRZSA-N 0 3 388.511 0.805 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000646210938 530785704 /nfs/dbraw/zinc/78/57/04/530785704.db2.gz MGRYXWOYDUHOTB-LLVKDONJSA-N 0 3 383.246 0.198 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1C ZINC000480442880 530764989 /nfs/dbraw/zinc/76/49/89/530764989.db2.gz JEOUPFSNADSIFU-ZDUSSCGKSA-N 0 3 387.527 0.666 20 0 GCADHN O=C(NCCNC(=O)[C@H]1CN2CCN1CCC2)c1ccc(Br)cc1 ZINC000372360609 530766928 /nfs/dbraw/zinc/76/69/28/530766928.db2.gz YIXPFMLGMKIJEO-OAHLLOKOSA-N 0 3 395.301 0.685 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C ZINC000480533822 530766961 /nfs/dbraw/zinc/76/69/61/530766961.db2.gz BWQPODRTPGZTJK-ZDUSSCGKSA-N 0 3 389.547 0.213 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1C ZINC000480647873 530768237 /nfs/dbraw/zinc/76/82/37/530768237.db2.gz PAAPTJCGYJCAAM-ZFWWWQNUSA-N 0 3 389.543 0.864 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1C ZINC000480647870 530768381 /nfs/dbraw/zinc/76/83/81/530768381.db2.gz PAAPTJCGYJCAAM-DZGCQCFKSA-N 0 3 389.543 0.864 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000480664856 530769006 /nfs/dbraw/zinc/76/90/06/530769006.db2.gz XHDZUCJBOXNVGK-OWCLPIDISA-N 0 3 375.535 0.521 20 0 GCADHN CN(CCNC(=O)C(=O)NCc1cn2cc(Br)ccc2n1)C1CC1 ZINC000485531067 530799321 /nfs/dbraw/zinc/79/93/21/530799321.db2.gz JIGHYVYBKZKPGI-UHFFFAOYSA-N 0 3 394.273 0.923 20 0 GCADHN [NH3+][C@H]1CCC[C@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418175336 530802056 /nfs/dbraw/zinc/80/20/56/530802056.db2.gz SVRPACPMPXCXGO-RYUDHWBXSA-N 0 3 376.429 0.812 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000375500886 530802900 /nfs/dbraw/zinc/80/29/00/530802900.db2.gz ZAPVUOWKZYXKCM-HZPDHXFCSA-N 0 3 375.535 0.496 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)N[C@H](CO)CN2CCCC2)ccc1Cl ZINC000646220160 530788428 /nfs/dbraw/zinc/78/84/28/530788428.db2.gz JKAOIZNCONUHHZ-LBPRGKRZSA-N 0 3 375.878 0.898 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H](CO)CN1CCCC1 ZINC000646223173 530789013 /nfs/dbraw/zinc/78/90/13/530789013.db2.gz COKJOCQFGPYNAY-CQSZACIVSA-N 0 3 384.274 0.752 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000374398712 530791576 /nfs/dbraw/zinc/79/15/76/530791576.db2.gz KZDFNRVOVINYQX-RDBSUJKOSA-N 0 3 387.527 0.737 20 0 GCADHN COCCN(C)CCNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000374414957 530792166 /nfs/dbraw/zinc/79/21/66/530792166.db2.gz KBEDURPDRXKIJH-UHFFFAOYSA-N 0 3 376.523 0.164 20 0 GCADHN CCCCN1CCC(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000068902436 530795291 /nfs/dbraw/zinc/79/52/91/530795291.db2.gz GJBRWVDYEAMPOH-UHFFFAOYSA-N 0 3 375.516 0.877 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000490150913 530827128 /nfs/dbraw/zinc/82/71/28/530827128.db2.gz FPVLWUWYQSZHCZ-KKUMJFAQSA-N 0 3 375.539 0.191 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000491581333 530833850 /nfs/dbraw/zinc/83/38/50/530833850.db2.gz LJZHUXFVDPEPRN-ZIAGYGMSSA-N 0 3 389.543 0.946 20 0 GCADHN CC(C)CCNC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000492083225 530836108 /nfs/dbraw/zinc/83/61/08/530836108.db2.gz UBAUXOGXIGNKFA-NSHDSACASA-N 0 3 376.504 0.699 20 0 GCADHN CC(C)N1CCCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486786997 530807512 /nfs/dbraw/zinc/80/75/12/530807512.db2.gz NQBNGBKZNYGTDO-LBPRGKRZSA-N 0 3 388.456 0.934 20 0 GCADHN CC(C(=O)NCC1(S(C)(=O)=O)CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000618485841 530807906 /nfs/dbraw/zinc/80/79/06/530807906.db2.gz VDUPVLSUGNSYLS-CYBMUJFWSA-N 0 3 395.543 0.832 20 0 GCADHN COCCN(C)CCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000376332313 530813056 /nfs/dbraw/zinc/81/30/56/530813056.db2.gz NMRFZUPOUJBVCF-CQSZACIVSA-N 0 3 376.523 0.211 20 0 GCADHN O=C(Cn1cc(Br)cn1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000487557045 530813496 /nfs/dbraw/zinc/81/34/96/530813496.db2.gz KTKNSARCTCHKGI-UHFFFAOYSA-N 0 3 384.278 0.412 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCSC1 ZINC000487592991 530813607 /nfs/dbraw/zinc/81/36/07/530813607.db2.gz VSWAZHMCMMRUIJ-GDBMZVCRSA-N 0 3 390.575 0.633 20 0 GCADHN CC(C(=O)NC[C@H](O)CN1CCC(C)CC1)S(=O)(=O)C1CCOCC1 ZINC000487758286 530814526 /nfs/dbraw/zinc/81/45/26/530814526.db2.gz CINWXKOJJGKHAI-CABCVRRESA-N 0 3 376.519 0.178 20 0 GCADHN C[N@@H+]1CCCC12CCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)CC2 ZINC000376542169 530816140 /nfs/dbraw/zinc/81/61/40/530816140.db2.gz XVOWYIFPSJAPTF-UHFFFAOYSA-N 0 3 385.262 0.798 20 0 GCADHN C[N@H+]1CCCC12CCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)CC2 ZINC000376542169 530816144 /nfs/dbraw/zinc/81/61/44/530816144.db2.gz XVOWYIFPSJAPTF-UHFFFAOYSA-N 0 3 385.262 0.798 20 0 GCADHN COCCCN1CCC(NC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000488635206 530818264 /nfs/dbraw/zinc/81/82/64/530818264.db2.gz XIFRQOFYISYHMX-HNNXBMFYSA-N 0 3 376.523 0.163 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000642020414 530820307 /nfs/dbraw/zinc/82/03/07/530820307.db2.gz MKFZINAIURYOMH-ZIAGYGMSSA-N 0 3 397.273 0.620 20 0 GCADHN CS(=O)(=O)N1CC(CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000489524233 530822790 /nfs/dbraw/zinc/82/27/90/530822790.db2.gz PYJILYBXVRLTMF-UHFFFAOYSA-N 0 3 390.575 0.539 20 0 GCADHN CCN(CCN)C(=O)C(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000627316042 530846288 /nfs/dbraw/zinc/84/62/88/530846288.db2.gz YEGATTBSCBUOPT-UHFFFAOYSA-N 0 3 375.878 0.557 20 0 GCADHN CC(C)(C)[NH+]1CCC(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000130922624 530846524 /nfs/dbraw/zinc/84/65/24/530846524.db2.gz FSRFQRWLDZGEMI-UHFFFAOYSA-N 0 3 387.278 0.678 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCOc3ccc(Br)cc3)CCN2C1=O ZINC000582737700 530847321 /nfs/dbraw/zinc/84/73/21/530847321.db2.gz VSSZETYGNOBFAU-TZMCWYRMSA-N 0 3 397.273 0.781 20 0 GCADHN CN(C)[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000068341397 530849692 /nfs/dbraw/zinc/84/96/92/530849692.db2.gz QLUFOSGKXBPFAX-CYBMUJFWSA-N 0 3 387.527 0.935 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000496633037 530850128 /nfs/dbraw/zinc/85/01/28/530850128.db2.gz QYHQBKVGJWXYFB-QLFBSQMISA-N 0 3 376.523 0.257 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646380237 530850136 /nfs/dbraw/zinc/85/01/36/530850136.db2.gz UIMLUVRFACGGJH-NWDGAFQWSA-N 0 3 399.289 0.950 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)CCN2C1=O ZINC000582797632 530853108 /nfs/dbraw/zinc/85/31/08/530853108.db2.gz VIWOPBWSBAVHTE-KOLCDFICSA-N 0 3 381.351 0.777 20 0 GCADHN CCCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@@H]1CCN(C)C1 ZINC000646397632 530855329 /nfs/dbraw/zinc/85/53/29/530855329.db2.gz LVWLLBCNJMJYPS-VXGBXAGGSA-N 0 3 388.456 0.934 20 0 GCADHN CN1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)[C@@H](CN)C1 ZINC000582903924 530856058 /nfs/dbraw/zinc/85/60/58/530856058.db2.gz RMVRGFRGOQDQGJ-QWHCGFSZSA-N 0 3 395.301 0.903 20 0 GCADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000499893418 530856982 /nfs/dbraw/zinc/85/69/82/530856982.db2.gz CJOWVRZYUFVZLH-HZPDHXFCSA-N 0 3 375.535 0.617 20 0 GCADHN C[C@H](NC(C)(C)CNS(=O)(=O)N1CCS(=O)(=O)CC1)c1ccccc1 ZINC000500104610 530859254 /nfs/dbraw/zinc/85/92/54/530859254.db2.gz GQODADUKCXHSOX-AWEZNQCLSA-N 0 3 389.543 0.681 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000657035678 530868984 /nfs/dbraw/zinc/86/89/84/530868984.db2.gz XSMCPZGDAOWJNI-CYBMUJFWSA-N 0 3 389.543 0.993 20 0 GCADHN C[C@@H](CNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C)N(C)C1CC1 ZINC000584432806 530870930 /nfs/dbraw/zinc/87/09/30/530870930.db2.gz WSRMCVDRNDNHEC-DZGCQCFKSA-N 0 3 375.539 0.429 20 0 GCADHN CN(CC1CCN(C)CC1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000502228248 530873305 /nfs/dbraw/zinc/87/33/05/530873305.db2.gz TXKCUFHRPQZNRY-UHFFFAOYSA-N 0 3 378.564 0.348 20 0 GCADHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C)C2)ccn1 ZINC000656378066 530839463 /nfs/dbraw/zinc/83/94/63/530839463.db2.gz NFMHASVRJXVHCP-UHFFFAOYSA-N 0 3 390.531 0.951 20 0 GCADHN CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C)C2)cc[nH+]1 ZINC000656378066 530839467 /nfs/dbraw/zinc/83/94/67/530839467.db2.gz NFMHASVRJXVHCP-UHFFFAOYSA-N 0 3 390.531 0.951 20 0 GCADHN CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000493873119 530840294 /nfs/dbraw/zinc/84/02/94/530840294.db2.gz MAQIFTKSAUMZBO-UHFFFAOYSA-N 0 3 389.543 0.947 20 0 GCADHN CC(C)N(CCCNC(=O)CN[C@@]1(C)CCO[C@H]1C1CC1)S(C)(=O)=O ZINC000378649377 530840430 /nfs/dbraw/zinc/84/04/30/530840430.db2.gz MAMZHTXYXIOZKZ-IRXDYDNUSA-N 0 3 375.535 0.710 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Br ZINC000583823646 530899007 /nfs/dbraw/zinc/89/90/07/530899007.db2.gz CWPYVZVKFJTKLP-ZWNOBZJWSA-N 0 3 388.287 0.690 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657751086 530901580 /nfs/dbraw/zinc/90/15/80/530901580.db2.gz FVTVZANPZCCGNX-AWEZNQCLSA-N 0 3 376.226 0.956 20 0 GCADHN NS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000646576082 530908126 /nfs/dbraw/zinc/90/81/26/530908126.db2.gz TWEQZMJPUKHYFT-ZIAGYGMSSA-N 0 3 386.543 0.917 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(F)cccc1F ZINC000502872863 530878037 /nfs/dbraw/zinc/87/80/37/530878037.db2.gz RMLDSARYYABQNI-VHSXEESVSA-N 0 3 381.422 0.571 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000503236668 530880087 /nfs/dbraw/zinc/88/00/87/530880087.db2.gz YRUDNVJJSQQOPU-CABCVRRESA-N 0 3 394.607 0.047 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000505159070 530892465 /nfs/dbraw/zinc/89/24/65/530892465.db2.gz DCWORWGYQDRKLX-GXFFZTMASA-N 0 3 394.540 0.790 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000657518712 530896071 /nfs/dbraw/zinc/89/60/71/530896071.db2.gz OXVBBTSDVKDLJE-SSDOTTSWSA-N 0 3 380.189 0.705 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418765208 530934691 /nfs/dbraw/zinc/93/46/91/530934691.db2.gz LMFRWXHCCMSTOI-GWCFXTLKSA-N 0 3 376.226 0.909 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000510795178 530930302 /nfs/dbraw/zinc/93/03/02/530930302.db2.gz ITVRSRHOJHEZBF-HZPDHXFCSA-N 0 3 390.527 0.919 20 0 GCADHN O=C(NC[C@H](CO)Cc1ccccc1Br)NC[C@H]1CNCCO1 ZINC000418754264 530934789 /nfs/dbraw/zinc/93/47/89/530934789.db2.gz AXWAGQPMWLNMQB-TZMCWYRMSA-N 0 3 386.290 0.888 20 0 GCADHN CN(CCCO)C1CCN(C(=O)NCC2(S(C)(=O)=O)CCCC2)CC1 ZINC000511129830 530933034 /nfs/dbraw/zinc/93/30/34/530933034.db2.gz GWHFHXIJNUPJGA-UHFFFAOYSA-N 0 3 375.535 0.832 20 0 GCADHN O=S(=O)(NC[C@@H]1CCCN(C[C@H](O)COC2CCOCC2)C1)C1CC1 ZINC000584553252 530918660 /nfs/dbraw/zinc/91/86/60/530918660.db2.gz MCDUFKZJVRTSPK-GJZGRUSLSA-N 0 3 376.519 0.337 20 0 GCADHN NS(=O)(=O)N1CCC(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000032762918 530921924 /nfs/dbraw/zinc/92/19/24/530921924.db2.gz FANOPDUFTJSBNB-CQSZACIVSA-N 0 3 386.543 0.917 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c(Cl)ccnc43)CCN2C1=O ZINC000584732512 530922923 /nfs/dbraw/zinc/92/29/23/530922923.db2.gz ORTXWHKZWIRNEX-GWCFXTLKSA-N 0 3 380.857 0.821 20 0 GCADHN CCCCN(C(=O)CN[C@@H](CO)C1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000584801044 530924412 /nfs/dbraw/zinc/92/44/12/530924412.db2.gz KLDQEWUWOCZPOZ-CVEARBPZSA-N 0 3 376.519 0.179 20 0 GCADHN CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCOCC[NH3+])cc1 ZINC000624409775 530925089 /nfs/dbraw/zinc/92/50/89/530925089.db2.gz QMZWRLKOISLISR-UHFFFAOYSA-N 0 3 393.531 0.824 20 0 GCADHN C[C@@]1(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CCCCN1 ZINC000510435204 530926848 /nfs/dbraw/zinc/92/68/48/530926848.db2.gz SBYXOSCYIGCQPR-INIZCTEOSA-N 0 3 387.527 0.917 20 0 GCADHN Cc1nc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)cc(N[C@@H]2CCS(=O)(=O)[C@@H]2C)n1 ZINC000624627979 530927467 /nfs/dbraw/zinc/92/74/67/530927467.db2.gz ASDRIGGRMRMJGN-FPQZTECRSA-N 0 3 388.515 0.760 20 0 GCADHN COC[C@@H](CC1CCOCC1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000657915773 530927676 /nfs/dbraw/zinc/92/76/76/530927676.db2.gz NUVROZNMKZLWBB-SJORKVTESA-N 0 3 378.535 0.896 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCCN)c1nc(-c2ccc(Br)cc2)no1 ZINC000419422364 530958141 /nfs/dbraw/zinc/95/81/41/530958141.db2.gz XCCLBPSFQDHMKN-MRVPVSSYSA-N 0 3 382.218 0.751 20 0 GCADHN O=C(NCc1ccc([O-])c(Br)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419412055 530958149 /nfs/dbraw/zinc/95/81/49/530958149.db2.gz QLOFZQNXKCPDNQ-INIZCTEOSA-N 0 3 382.258 0.983 20 0 GCADHN O=C(NCc1ccc([O-])c(Br)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419412059 530958156 /nfs/dbraw/zinc/95/81/56/530958156.db2.gz QLOFZQNXKCPDNQ-MRXNPFEDSA-N 0 3 382.258 0.983 20 0 GCADHN [NH3+]CCCOCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000627003950 530958255 /nfs/dbraw/zinc/95/82/55/530958255.db2.gz HQQGQIUJAQAERR-UHFFFAOYSA-N 0 3 384.911 0.344 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1Br ZINC000419434124 530958399 /nfs/dbraw/zinc/95/83/99/530958399.db2.gz AKLVSYDXTQTASQ-NSHDSACASA-N 0 3 386.246 0.179 20 0 GCADHN CC(C)(CNC(=O)C(=O)N(CCN)CCO)c1cccc(Br)c1 ZINC000419528513 530958849 /nfs/dbraw/zinc/95/88/49/530958849.db2.gz WDVWJZJMMATPHZ-UHFFFAOYSA-N 0 3 386.290 0.623 20 0 GCADHN CCCC[C@@H](CN)NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000419495171 530959088 /nfs/dbraw/zinc/95/90/88/530959088.db2.gz KDCACZQPTXJAOY-LBPRGKRZSA-N 0 3 390.531 0.119 20 0 GCADHN NC[C@H]1CCCN1C(=O)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000419440183 530959184 /nfs/dbraw/zinc/95/91/84/530959184.db2.gz RARVVYIMUBPIRO-CYBMUJFWSA-N 0 3 397.273 0.245 20 0 GCADHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419567630 530959835 /nfs/dbraw/zinc/95/98/35/530959835.db2.gz IVZLCFWGKGPVLO-CYBMUJFWSA-N 0 3 389.905 0.720 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419583081 530960225 /nfs/dbraw/zinc/96/02/25/530960225.db2.gz GPJYUCZCSWOPKB-IINYFYTJSA-N 0 3 382.258 0.657 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(CCN)CCO)Oc1ccccc1Br ZINC000419605617 530960584 /nfs/dbraw/zinc/96/05/84/530960584.db2.gz DSTSYWOLGZHPRK-NSHDSACASA-N 0 3 388.262 0.112 20 0 GCADHN COc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000419657472 530960946 /nfs/dbraw/zinc/96/09/46/530960946.db2.gz VXLKREADFHIOND-QMMMGPOBSA-N 0 3 392.225 0.574 20 0 GCADHN NC[C@@H]1CCCN1C(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419684149 530961116 /nfs/dbraw/zinc/96/11/16/530961116.db2.gz YOPJWCJSVVJMFM-ZDUSSCGKSA-N 0 3 382.258 0.950 20 0 GCADHN O=C(NCc1cc2cc(Br)ccc2[nH]1)C(=O)NC[C@@H]1CNCCO1 ZINC000419681375 530961860 /nfs/dbraw/zinc/96/18/60/530961860.db2.gz UHVZFJJQWVUVAO-ZDUSSCGKSA-N 0 3 395.257 0.651 20 0 GCADHN CSCC[C@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000262157159 530962583 /nfs/dbraw/zinc/96/25/83/530962583.db2.gz OKSVIPTXYJDACX-HNNXBMFYSA-N 0 3 392.591 0.720 20 0 GCADHN COCCNCCNC(=O)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000420188899 530965769 /nfs/dbraw/zinc/96/57/69/530965769.db2.gz TXMLTFFMAYPHHF-CQSZACIVSA-N 0 3 399.289 0.860 20 0 GCADHN C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419835182 530962841 /nfs/dbraw/zinc/96/28/41/530962841.db2.gz YCCZGSGKBOKNBZ-FZMZJTMJSA-N 0 3 384.274 0.601 20 0 GCADHN NCCNC(=O)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000419822777 530962904 /nfs/dbraw/zinc/96/29/04/530962904.db2.gz WYVPKVSAOOWNFW-UHFFFAOYSA-N 0 3 397.273 0.701 20 0 GCADHN CC(C)(CNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(Br)cc1 ZINC000419817745 530963151 /nfs/dbraw/zinc/96/31/51/530963151.db2.gz MBURCCYTGZFQOA-CQSZACIVSA-N 0 3 398.301 0.948 20 0 GCADHN O=C(NCCCN1CC[NH2+]CC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000419857536 530963166 /nfs/dbraw/zinc/96/31/66/530963166.db2.gz UWWXTLMYAASQTG-UHFFFAOYSA-N 0 3 399.289 0.182 20 0 GCADHN NCCNC(=O)C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000419818771 530963356 /nfs/dbraw/zinc/96/33/56/530963356.db2.gz OXNBHFJRDGFSAT-UHFFFAOYSA-N 0 3 387.253 0.307 20 0 GCADHN CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](C)C[NH3+] ZINC000521046263 530963982 /nfs/dbraw/zinc/96/39/82/530963982.db2.gz HMVXKOKUKGACSP-WCQYABFASA-N 0 3 377.507 0.937 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CCNC(=O)C(=O)N[C@H](C)CN ZINC000420016397 530964619 /nfs/dbraw/zinc/96/46/19/530964619.db2.gz SKJYPXWTTJJVRR-SNVBAGLBSA-N 0 3 385.262 0.666 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000420014600 530964647 /nfs/dbraw/zinc/96/46/47/530964647.db2.gz OOEAQSTXHDGWNU-SNVBAGLBSA-N 0 3 380.495 0.711 20 0 GCADHN COc1ccc(Br)c(CNC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000418790381 530935864 /nfs/dbraw/zinc/93/58/64/530935864.db2.gz XUYKYMYLWMGSFR-LBPRGKRZSA-N 0 3 386.246 0.179 20 0 GCADHN COCCN(Cc1ccc(Br)s1)C(=O)C(=O)NC1CNC1 ZINC000580413871 530936126 /nfs/dbraw/zinc/93/61/26/530936126.db2.gz SSAHZEPTOWSXBR-UHFFFAOYSA-N 0 3 376.276 0.574 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000418811664 530936527 /nfs/dbraw/zinc/93/65/27/530936527.db2.gz HZEAMFRQLCGVSV-RKDXNWHRSA-N 0 3 386.246 0.861 20 0 GCADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418817339 530936834 /nfs/dbraw/zinc/93/68/34/530936834.db2.gz ZYPDCSBZQJVNRT-RKDXNWHRSA-N 0 3 376.276 0.262 20 0 GCADHN COCCNCCNC(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418841562 530940086 /nfs/dbraw/zinc/94/00/86/530940086.db2.gz FGJKTKXOFOYRBB-UHFFFAOYSA-N 0 3 390.253 0.599 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000418842860 530940770 /nfs/dbraw/zinc/94/07/70/530940770.db2.gz HEDCOPQLHLAECV-CYBMUJFWSA-N 0 3 397.273 0.149 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000512417626 530942911 /nfs/dbraw/zinc/94/29/11/530942911.db2.gz DOHLATFATBOADF-CABCVRRESA-N 0 3 376.523 0.163 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000512452943 530942994 /nfs/dbraw/zinc/94/29/94/530942994.db2.gz CZJCRVCUODYZRG-KGLIPLIRSA-N 0 3 381.564 0.498 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000512489287 530943386 /nfs/dbraw/zinc/94/33/86/530943386.db2.gz FLDTYUCEPKVZHV-CABCVRRESA-N 0 3 376.523 0.020 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000512489291 530943399 /nfs/dbraw/zinc/94/33/99/530943399.db2.gz FLDTYUCEPKVZHV-HUUCEWRRSA-N 0 3 376.523 0.020 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000512452946 530943451 /nfs/dbraw/zinc/94/34/51/530943451.db2.gz CZJCRVCUODYZRG-ZIAGYGMSSA-N 0 3 381.564 0.498 20 0 GCADHN COCCN(C)CCNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000171127945 530943554 /nfs/dbraw/zinc/94/35/54/530943554.db2.gz FXGONNAIUWXGPY-UHFFFAOYSA-N 0 3 378.292 0.935 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000631649473 530944457 /nfs/dbraw/zinc/94/44/57/530944457.db2.gz XPFMQCMUSKTLLO-UHFFFAOYSA-N 0 3 393.506 0.414 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000631691581 530945680 /nfs/dbraw/zinc/94/56/80/530945680.db2.gz OCNFIWRIPJKBQE-UHFFFAOYSA-N 0 3 395.572 0.772 20 0 GCADHN CCCS(=O)(=O)NC1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631734992 530946096 /nfs/dbraw/zinc/94/60/96/530946096.db2.gz NPUNNIYVBUGOKF-UHFFFAOYSA-N 0 3 381.564 0.596 20 0 GCADHN COCCN1CCC(NC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000521277803 530965121 /nfs/dbraw/zinc/96/51/21/530965121.db2.gz ACGZJXAFBGSACD-HNNXBMFYSA-N 0 3 376.523 0.211 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1Br ZINC000564100929 530948148 /nfs/dbraw/zinc/94/81/48/530948148.db2.gz OEGNETWSHHLMCW-YPMHNXCESA-N 0 3 395.257 0.466 20 0 GCADHN CN(C(=O)C(=O)N[C@H](CN)C1CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000420053994 530965204 /nfs/dbraw/zinc/96/52/04/530965204.db2.gz FEDJFDULYAOIKT-CHWSQXEVSA-N 0 3 385.873 0.480 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000419994249 530965367 /nfs/dbraw/zinc/96/53/67/530965367.db2.gz GPKPYINPSPVOOJ-SNVBAGLBSA-N 0 3 395.261 0.452 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000262041577 530951702 /nfs/dbraw/zinc/95/17/02/530951702.db2.gz LJSHNDRBQWJPTI-YPMHNXCESA-N 0 3 376.500 0.847 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CN ZINC000262041574 530952207 /nfs/dbraw/zinc/95/22/07/530952207.db2.gz LJSHNDRBQWJPTI-AAEUAGOBSA-N 0 3 376.500 0.847 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CN ZINC000262041576 530952235 /nfs/dbraw/zinc/95/22/35/530952235.db2.gz LJSHNDRBQWJPTI-WCQYABFASA-N 0 3 376.500 0.847 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCc1cn2cc(Br)ccc2n1)C1CC1 ZINC000420067818 530965399 /nfs/dbraw/zinc/96/53/99/530965399.db2.gz TYNVJHILEBSEEJ-LBPRGKRZSA-N 0 3 380.246 0.567 20 0 GCADHN C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N(CCN)CCO ZINC000419016886 530952516 /nfs/dbraw/zinc/95/25/16/530952516.db2.gz FPTMZPMFSBKXGB-GFCCVEGCSA-N 0 3 386.290 0.666 20 0 GCADHN C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)N(CCN)CCO ZINC000419016887 530952520 /nfs/dbraw/zinc/95/25/20/530952520.db2.gz FPTMZPMFSBKXGB-LBPRGKRZSA-N 0 3 386.290 0.666 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1)C1CC1 ZINC000418971304 530952534 /nfs/dbraw/zinc/95/25/34/530952534.db2.gz MBVTUDRASZFMMB-LLVKDONJSA-N 0 3 380.246 0.795 20 0 GCADHN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCN)C2=O)ccc1Br ZINC000418968826 530952935 /nfs/dbraw/zinc/95/29/35/530952935.db2.gz UZZHMWXRTLECOI-CYBMUJFWSA-N 0 3 397.273 0.444 20 0 GCADHN Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N(C)[C@@H](C)CN)nc12 ZINC000419042508 530953702 /nfs/dbraw/zinc/95/37/02/530953702.db2.gz LPGAFCDRFZGOTM-NSHDSACASA-N 0 3 396.289 0.870 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000420032448 530965473 /nfs/dbraw/zinc/96/54/73/530965473.db2.gz HZKHCYUUJIDDKT-SDDRHHMPSA-N 0 3 384.527 0.989 20 0 GCADHN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N(CCN)CCO ZINC000419055882 530954027 /nfs/dbraw/zinc/95/40/27/530954027.db2.gz OUPYTJVIBRRNQJ-SNVBAGLBSA-N 0 3 390.253 0.415 20 0 GCADHN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N(CCN)CCO ZINC000419055881 530954116 /nfs/dbraw/zinc/95/41/16/530954116.db2.gz OUPYTJVIBRRNQJ-JTQLQIEISA-N 0 3 390.253 0.415 20 0 GCADHN O=C(NCc1cccc(Br)c1Cl)C(=O)NC[C@@H]1CNCCO1 ZINC000419059408 530954188 /nfs/dbraw/zinc/95/41/88/530954188.db2.gz XWPNACPQHNCRBX-JTQLQIEISA-N 0 3 390.665 0.823 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 ZINC000631976637 530954263 /nfs/dbraw/zinc/95/42/63/530954263.db2.gz CABKSGGJPRZPKG-UHFFFAOYSA-N 0 3 375.516 0.581 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419073338 530954526 /nfs/dbraw/zinc/95/45/26/530954526.db2.gz CLNQGLILPCNJMK-AWEZNQCLSA-N 0 3 396.285 0.702 20 0 GCADHN NCCNC(=O)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000419074132 530954574 /nfs/dbraw/zinc/95/45/74/530954574.db2.gz LOVBNRUUGDNOCR-UHFFFAOYSA-N 0 3 383.290 0.605 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419074899 530954627 /nfs/dbraw/zinc/95/46/27/530954627.db2.gz ZYDVAOFDECLQJX-GXFFZTMASA-N 0 3 397.273 0.476 20 0 GCADHN COCCNCCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419072316 530954687 /nfs/dbraw/zinc/95/46/87/530954687.db2.gz BIDBVUPQSQORIW-UHFFFAOYSA-N 0 3 398.301 0.949 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000516695419 530955086 /nfs/dbraw/zinc/95/50/86/530955086.db2.gz ZKCXIXUACHYDEX-LSDHHAIUSA-N 0 3 375.539 0.383 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419075012 530955294 /nfs/dbraw/zinc/95/52/94/530955294.db2.gz NYBRIPNBNAGFFY-VXGBXAGGSA-N 0 3 383.290 0.855 20 0 GCADHN Cc1[nH]c(=O)c(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1Br ZINC000646801461 530955378 /nfs/dbraw/zinc/95/53/78/530955378.db2.gz DLLPVKFTSUYXGM-UHFFFAOYSA-N 0 3 382.222 0.638 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c(Br)c3)C[C@@H]21 ZINC000653833887 530965556 /nfs/dbraw/zinc/96/55/56/530965556.db2.gz IYZPGNQKJBDDKK-PWSUYJOCSA-N 0 3 388.287 0.873 20 0 GCADHN O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CNCCO1 ZINC000419134893 530956198 /nfs/dbraw/zinc/95/61/98/530956198.db2.gz LFFJEWHNOPXXGF-GFCCVEGCSA-N 0 3 390.267 0.983 20 0 GCADHN C[C@@H](O)CN(C)C1CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC1 ZINC000516938661 530957129 /nfs/dbraw/zinc/95/71/29/530957129.db2.gz VIKDZUKIDRBWMD-CYBMUJFWSA-N 0 3 384.564 0.307 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@](=O)CC1(C)C ZINC000192928826 530973280 /nfs/dbraw/zinc/97/32/80/530973280.db2.gz UZDFZOCQJXLILP-QHCPKHFHSA-N 0 3 376.548 0.593 20 0 GCADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)CN(C)S(C)(=O)=O ZINC000522107327 530973867 /nfs/dbraw/zinc/97/38/67/530973867.db2.gz WNQWFGUNEQMERX-AWEZNQCLSA-N 0 3 377.507 0.144 20 0 GCADHN O=C(NCCN[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cn1 ZINC000658091274 530974848 /nfs/dbraw/zinc/97/48/48/530974848.db2.gz DAQSDEVEXGQJIC-LLVKDONJSA-N 0 3 376.276 0.741 20 0 GCADHN CS[C@@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@@H]1N(C)C ZINC000611217387 530979233 /nfs/dbraw/zinc/97/92/33/530979233.db2.gz HKNDAPJHDSLBAN-JKSUJKDBSA-N 0 3 385.555 0.896 20 0 GCADHN O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)N1CCCN(c2ccncc2)CC1 ZINC000632721897 530979867 /nfs/dbraw/zinc/97/98/67/530979867.db2.gz RCVUIVNLIOQFNT-OAHLLOKOSA-N 0 3 387.527 0.748 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2sccc2C)CC1=O ZINC000632726394 530980125 /nfs/dbraw/zinc/98/01/25/530980125.db2.gz JKEQOZGOWHBMTR-ZDUSSCGKSA-N 0 3 375.516 0.514 20 0 GCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)S(=O)(=O)CCCN(C)C)CC1 ZINC000632339677 530967528 /nfs/dbraw/zinc/96/75/28/530967528.db2.gz AWLQIGSPMGPKKQ-AWEZNQCLSA-N 0 3 383.580 0.650 20 0 GCADHN O=S(=O)(CCCN1CCCC1)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000632339824 530967779 /nfs/dbraw/zinc/96/77/79/530967779.db2.gz GSLRIXKRRNIPBR-HNNXBMFYSA-N 0 3 393.575 0.596 20 0 GCADHN Cn1cc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)cc1C(=O)NCC(F)(F)F ZINC000420458082 530967849 /nfs/dbraw/zinc/96/78/49/530967849.db2.gz IKSBTUMYHIZTRS-MRVPVSSYSA-N 0 3 392.350 0.578 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Cc3ccc(I)cc3)CCN2C1=O ZINC000521645322 530968685 /nfs/dbraw/zinc/96/86/85/530968685.db2.gz FDVVZEXZLOYYSH-QWHCGFSZSA-N 0 3 399.232 0.604 20 0 GCADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000632370129 530968880 /nfs/dbraw/zinc/96/88/80/530968880.db2.gz VVHNPKMJUBOBFU-DOMZBBRYSA-N 0 3 375.516 0.650 20 0 GCADHN CO[C@@H]1CCC[C@H]1S(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000632453458 530971544 /nfs/dbraw/zinc/97/15/44/530971544.db2.gz DRSHXJLUJGKPRO-HZPDHXFCSA-N 0 3 375.535 0.270 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)NCCn3cc(Br)cn3)C[C@H]2N)cn1 ZINC000521993584 530971808 /nfs/dbraw/zinc/97/18/08/530971808.db2.gz DHGPHASUYPTPGM-QWHCGFSZSA-N 0 3 382.266 0.515 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)[C@H]3C[C@H](O)CN3)C2=O)ccc1Br ZINC000522002458 530972069 /nfs/dbraw/zinc/97/20/69/530972069.db2.gz WHNCYCRRCZCXEB-FPMFFAJLSA-N 0 3 382.258 0.702 20 0 GCADHN O=S(=O)([N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cnn(CC(F)F)c1 ZINC000261877262 530991249 /nfs/dbraw/zinc/99/12/49/530991249.db2.gz UGQPVRMZBJQKAS-JTQLQIEISA-N 0 3 391.366 0.263 20 0 GCADHN COCC1(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000261948505 530991683 /nfs/dbraw/zinc/99/16/83/530991683.db2.gz FSZCBZWBHKBGMC-UHFFFAOYSA-N 0 3 395.934 0.812 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000261964538 530991867 /nfs/dbraw/zinc/99/18/67/530991867.db2.gz APOYCIACBNQXSB-SECBINFHSA-N 0 3 397.316 0.883 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H](CN)C1CCCC1 ZINC000262044378 530992657 /nfs/dbraw/zinc/99/26/57/530992657.db2.gz LROYPANEMITMNR-ZDUSSCGKSA-N 0 3 376.500 0.895 20 0 GCADHN C[C@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C[C@@H]1N ZINC000262075593 530993231 /nfs/dbraw/zinc/99/32/31/530993231.db2.gz PVCRSBOXEHJWNZ-KWQFWETISA-N 0 3 397.316 0.820 20 0 GCADHN Cn1cc(S(=O)(=O)NCCN2CCNC[C@H]2c2ccccc2Cl)cn1 ZINC000262124609 530993535 /nfs/dbraw/zinc/99/35/35/530993535.db2.gz CLIDOFWJTSEDKA-INIZCTEOSA-N 0 3 383.905 0.998 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CCC[NH2+]C1 ZINC000262124284 530993766 /nfs/dbraw/zinc/99/37/66/530993766.db2.gz KWYFUCFOWLOCKY-NSHDSACASA-N 0 3 375.878 0.872 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)s1 ZINC000262115052 530993800 /nfs/dbraw/zinc/99/38/00/530993800.db2.gz IDPOBVAFYCDDSL-GFCCVEGCSA-N 0 3 395.572 0.508 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000525292514 530994064 /nfs/dbraw/zinc/99/40/64/530994064.db2.gz UGTOYHUOAAYRTL-CYBMUJFWSA-N 0 3 386.543 0.824 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1C[NH3+] ZINC000262162654 530994448 /nfs/dbraw/zinc/99/44/48/530994448.db2.gz VKBIKLAWJBDOGZ-PWSUYJOCSA-N 0 3 375.878 1.000 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C2(S(C)(=O)=O)CCNCC2)ccc1C ZINC000262254943 530995707 /nfs/dbraw/zinc/99/57/07/530995707.db2.gz SYQBMTGDATVTQC-UHFFFAOYSA-N 0 3 389.499 0.008 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000262373376 530996857 /nfs/dbraw/zinc/99/68/57/530996857.db2.gz MMMIJAACDNOAHY-ZKYQVNSYSA-N 0 3 391.490 0.945 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000262434984 530997317 /nfs/dbraw/zinc/99/73/17/530997317.db2.gz GAGJAZNMGOVMCK-PHIMTYICSA-N 0 3 377.463 0.427 20 0 GCADHN COCCN(C)C[C@@H](O)Cn1nnnc1Cc1ccc(Br)cc1 ZINC000572178734 530986133 /nfs/dbraw/zinc/98/61/33/530986133.db2.gz AKJGPUJAFXYDLP-CQSZACIVSA-N 0 3 384.278 0.966 20 0 GCADHN COc1ccc(Br)cc1CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572258200 530987423 /nfs/dbraw/zinc/98/74/23/530987423.db2.gz LRKBGVIVBWECLG-CHWSQXEVSA-N 0 3 382.258 0.771 20 0 GCADHN CN(C)[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C[C@@H]1O ZINC000572287200 530988873 /nfs/dbraw/zinc/98/88/73/530988873.db2.gz GSCARLRKBSTXEI-KBPBESRZSA-N 0 3 387.527 0.208 20 0 GCADHN O=S(=O)(CC1CCS(=O)(=O)CC1)N[C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000658391386 530989304 /nfs/dbraw/zinc/98/93/04/530989304.db2.gz CQMDYFDUHSWTHX-IAGOWNOFSA-N 0 3 386.539 0.876 20 0 GCADHN Nc1ncc(Cl)cc1S(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261735192 530989430 /nfs/dbraw/zinc/98/94/30/530989430.db2.gz KCVQORWOAZHPND-JTQLQIEISA-N 0 3 387.815 0.432 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC3CC3)C2)cn1 ZINC000660180771 531005448 /nfs/dbraw/zinc/00/54/48/531005448.db2.gz VNTQPHWPMDCRAC-AWEZNQCLSA-N 0 3 387.527 0.885 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000660336739 531006874 /nfs/dbraw/zinc/00/68/74/531006874.db2.gz OJKKPUUGRUBKMN-HRCADAONSA-N 0 3 375.535 0.854 20 0 GCADHN COCCN(C)CCNC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000538520019 531034168 /nfs/dbraw/zinc/03/41/68/531034168.db2.gz NSVWXQBPYIUUKL-UHFFFAOYSA-N 0 3 378.539 0.314 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC000660449155 531007464 /nfs/dbraw/zinc/00/74/64/531007464.db2.gz KFYBAWVXKLJNBK-APIJFGDWSA-N 0 3 375.535 0.854 20 0 GCADHN Cc1nc(-c2ccc(CNC(=O)C(=O)NC[C@@H]3CNCCO3)s2)cs1 ZINC000572467632 531009001 /nfs/dbraw/zinc/00/90/01/531009001.db2.gz VTUAGFTZQRQAEC-NSHDSACASA-N 0 3 380.495 0.901 20 0 GCADHN CCCCN(C(=O)CNC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000660632364 531009057 /nfs/dbraw/zinc/00/90/57/531009057.db2.gz VWGIFUWQRYFCQW-OAHLLOKOSA-N 0 3 376.519 0.587 20 0 GCADHN CC(C)CNC(=O)[C@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000332958228 531010150 /nfs/dbraw/zinc/01/01/50/531010150.db2.gz QPGMSGQHEZVTKR-GXTWGEPZSA-N 0 3 392.543 0.642 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CCO1 ZINC000528595515 531013844 /nfs/dbraw/zinc/01/38/44/531013844.db2.gz XBHHWPHXKNYJNZ-NSHDSACASA-N 0 3 393.868 0.546 20 0 GCADHN CN(CCN)C(=O)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000423110014 531016469 /nfs/dbraw/zinc/01/64/69/531016469.db2.gz OKWNWOCTBTXCKF-UHFFFAOYSA-N 0 3 387.267 0.695 20 0 GCADHN N[C@H](CC1CCCCC1)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000423184524 531017304 /nfs/dbraw/zinc/01/73/04/531017304.db2.gz UDBNMJKHMUVLFO-JKSUJKDBSA-N 0 3 375.535 0.889 20 0 GCADHN CCCN1CC[C@@H](NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000661950473 531017433 /nfs/dbraw/zinc/01/74/33/531017433.db2.gz ALVMVPWNPDDUPS-CABCVRRESA-N 0 3 376.523 0.258 20 0 GCADHN N[C@@H](CC1CCCCC1)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000423184520 531017536 /nfs/dbraw/zinc/01/75/36/531017536.db2.gz UDBNMJKHMUVLFO-HOTGVXAUSA-N 0 3 375.535 0.889 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NCC[C@H]1CC[NH2+]C1 ZINC000262580101 531017750 /nfs/dbraw/zinc/01/77/50/531017750.db2.gz NVSFDXVSUKPKNT-SECBINFHSA-N 0 3 396.332 0.905 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000661893271 531017873 /nfs/dbraw/zinc/01/78/73/531017873.db2.gz FXRVYPGQYDAFPH-OAHLLOKOSA-N 0 3 375.539 0.240 20 0 GCADHN CN(CCN)C(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000423457322 531017951 /nfs/dbraw/zinc/01/79/51/531017951.db2.gz IGUCKSPQPYXSLM-CYBMUJFWSA-N 0 3 388.237 0.905 20 0 GCADHN CN(CCN)C(=O)C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000423560421 531017986 /nfs/dbraw/zinc/01/79/86/531017986.db2.gz MLGVEKODVBLADF-UHFFFAOYSA-N 0 3 380.495 0.664 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(F)c(Cl)c3)C[C@@H]21 ZINC000529451323 531019411 /nfs/dbraw/zinc/01/94/11/531019411.db2.gz HCJTYRLBRGGWIN-YGRLFVJLSA-N 0 3 375.853 0.920 20 0 GCADHN COC[C@@]1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC[NH2+]C1 ZINC000424002287 531019418 /nfs/dbraw/zinc/01/94/18/531019418.db2.gz SIQZDBUTQVKELP-OAHLLOKOSA-N 0 3 393.868 0.500 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000262589938 531019782 /nfs/dbraw/zinc/01/97/82/531019782.db2.gz CEYMPIWZGDZDDK-GFCCVEGCSA-N 0 3 375.516 0.771 20 0 GCADHN N[C@H](C(=O)Nc1nc(N2CCNCC2)n[nH]1)c1ccccc1Br ZINC000662426316 531021056 /nfs/dbraw/zinc/02/10/56/531021056.db2.gz PLJNMBRTYRIPOF-NSHDSACASA-N 0 3 380.250 0.615 20 0 GCADHN CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000536836497 531021520 /nfs/dbraw/zinc/02/15/20/531021520.db2.gz AFAUGHLCWOPDKY-SWLSCSKDSA-N 0 3 376.500 0.912 20 0 GCADHN C[C@H](NC[C@@H]1COCCN1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000530226504 531024975 /nfs/dbraw/zinc/02/49/75/531024975.db2.gz XQVOCBUVQNUUMP-GXTWGEPZSA-N 0 3 391.515 0.051 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCC12CC(C1)CO2 ZINC000530241616 531025051 /nfs/dbraw/zinc/02/50/51/531025051.db2.gz KRUACNASCGSOMM-UHFFFAOYSA-N 0 3 388.511 0.479 20 0 GCADHN Cn1cc([C@@H]2CN(S(=O)(=O)c3cc(C(F)(F)F)nn3C)C[C@H]2N)cn1 ZINC000528047772 531025960 /nfs/dbraw/zinc/02/59/60/531025960.db2.gz POUXUZJHIZVDPP-VHSXEESVSA-N 0 3 378.380 0.288 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)ccc1Cl ZINC000627258225 531027178 /nfs/dbraw/zinc/02/71/78/531027178.db2.gz WWSGTQANTBNXFO-STQMWFEESA-N 0 3 387.889 0.993 20 0 GCADHN C[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C[NH+]1CCCCC1 ZINC000123840718 531028469 /nfs/dbraw/zinc/02/84/69/531028469.db2.gz PZQLFTXPFRKYRN-NSHDSACASA-N 0 3 387.278 0.537 20 0 GCADHN C[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C[NH+]1CCCCC1 ZINC000123840905 531028486 /nfs/dbraw/zinc/02/84/86/531028486.db2.gz PZQLFTXPFRKYRN-LLVKDONJSA-N 0 3 387.278 0.537 20 0 GCADHN CCS(=O)(=O)NCCN1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538046561 531029855 /nfs/dbraw/zinc/02/98/55/531029855.db2.gz YLJLXUPRRZMDDJ-HZPDHXFCSA-N 0 3 377.551 0.516 20 0 GCADHN CNS(=O)(=O)c1ccc(CS(=O)(=O)C(C)C(=O)NC2CCCC2)cc1 ZINC000663296733 531032089 /nfs/dbraw/zinc/03/20/89/531032089.db2.gz VAKXRQIKRHVBLB-GFCCVEGCSA-N 0 3 388.511 0.957 20 0 GCADHN CNS(=O)(=O)c1ccc(CS(=O)(=O)C(C)C(=O)N2CCCCC2)cc1 ZINC000663296647 531032119 /nfs/dbraw/zinc/03/21/19/531032119.db2.gz OHQSSEHDCVBYQD-CYBMUJFWSA-N 0 3 388.511 0.911 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C[NH3+] ZINC000262759063 531061370 /nfs/dbraw/zinc/06/13/70/531061370.db2.gz IUVUNXKCAPLWBI-QWHCGFSZSA-N 0 3 375.516 0.733 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1C[NH3+] ZINC000262759067 531061396 /nfs/dbraw/zinc/06/13/96/531061396.db2.gz IUVUNXKCAPLWBI-STQMWFEESA-N 0 3 375.516 0.733 20 0 GCADHN O=S(=O)([N-]C[C@@H]1CCC[NH2+]C1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000262759044 531061764 /nfs/dbraw/zinc/06/17/64/531061764.db2.gz IUMGXRYZPRGTRK-CQSZACIVSA-N 0 3 387.527 0.749 20 0 GCADHN CC(C)([NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000262759608 531062176 /nfs/dbraw/zinc/06/21/76/531062176.db2.gz QWJLIXRLYKUDQK-UHFFFAOYSA-N 0 3 389.421 0.543 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000262770611 531064392 /nfs/dbraw/zinc/06/43/92/531064392.db2.gz VUBOBNOCIOIENM-MFKMUULPSA-N 0 3 379.479 0.993 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000262770609 531064848 /nfs/dbraw/zinc/06/48/48/531064848.db2.gz VUBOBNOCIOIENM-GXFFZTMASA-N 0 3 379.479 0.993 20 0 GCADHN CCS(=O)(=O)N1CCC(CNC(=O)NCCN(C)CCCOC)CC1 ZINC000542547073 531066692 /nfs/dbraw/zinc/06/66/92/531066692.db2.gz UUCFHYIVOHKRNM-UHFFFAOYSA-N 0 3 378.539 0.316 20 0 GCADHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000614813544 531036072 /nfs/dbraw/zinc/03/60/72/531036072.db2.gz XNDJMIINKJGSOV-KBPBESRZSA-N 0 3 389.543 0.980 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000663631193 531036311 /nfs/dbraw/zinc/03/63/11/531036311.db2.gz UKYJHTVQQIWGER-HNNXBMFYSA-N 0 3 375.539 0.288 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cncc(Br)c3)C[C@H]2N)cn1 ZINC000424448702 531037591 /nfs/dbraw/zinc/03/75/91/531037591.db2.gz PQYOYNBEKDHUDG-QWHCGFSZSA-N 0 3 393.245 0.469 20 0 GCADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000533224298 531038080 /nfs/dbraw/zinc/03/80/80/531038080.db2.gz REWICPRIIQQGMH-DZGCQCFKSA-N 0 3 378.564 0.535 20 0 GCADHN CNS(=O)(=O)CCCN1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000539150592 531039158 /nfs/dbraw/zinc/03/91/58/531039158.db2.gz ZYFJDKRTWDUSBX-HOTGVXAUSA-N 0 3 377.551 0.516 20 0 GCADHN COCCN(C(=O)NC[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000539171124 531039491 /nfs/dbraw/zinc/03/94/91/531039491.db2.gz WJGOXAMJPDFDTM-HOTGVXAUSA-N 0 3 375.535 0.952 20 0 GCADHN CCCN1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000539187254 531039645 /nfs/dbraw/zinc/03/96/45/531039645.db2.gz FZFUHZIVJQFNGH-LBPRGKRZSA-N 0 3 375.516 0.881 20 0 GCADHN CCCN1CC[C@H](CNC(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000539176687 531039666 /nfs/dbraw/zinc/03/96/66/531039666.db2.gz CDDJQNUICWIZPX-HZPDHXFCSA-N 0 3 375.535 0.954 20 0 GCADHN COCCN(C(=O)NC[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000539171125 531039683 /nfs/dbraw/zinc/03/96/83/531039683.db2.gz WJGOXAMJPDFDTM-HZPDHXFCSA-N 0 3 375.535 0.952 20 0 GCADHN COCCCN(C(=O)NC[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000539171647 531039691 /nfs/dbraw/zinc/03/96/91/531039691.db2.gz TVJFDJMSMGWIQW-CVEARBPZSA-N 0 3 375.535 0.954 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000614850898 531041113 /nfs/dbraw/zinc/04/11/13/531041113.db2.gz CIOWTLABDRDSTG-LSDHHAIUSA-N 0 3 398.301 0.979 20 0 GCADHN CC1CCC(N2CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC2)CC1 ZINC000665014935 531047405 /nfs/dbraw/zinc/04/74/05/531047405.db2.gz UMEMGQVVHHTLPI-UHFFFAOYSA-N 0 3 375.539 0.288 20 0 GCADHN COc1ccc(CCN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1S(N)(=O)=O ZINC000540397013 531049459 /nfs/dbraw/zinc/04/94/59/531049459.db2.gz MTNVVTHDTNTBQS-DZGCQCFKSA-N 0 3 390.527 0.831 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H](N)CCSC)c1 ZINC000262714546 531054795 /nfs/dbraw/zinc/05/47/95/531054795.db2.gz UBWPZOPMYSPGPB-AWEZNQCLSA-N 0 3 375.516 0.308 20 0 GCADHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000542747291 531068583 /nfs/dbraw/zinc/06/85/83/531068583.db2.gz ZSHYTJILQPNXJE-LBPRGKRZSA-N 0 3 375.516 0.685 20 0 GCADHN COCCCN1CCC(NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC000537353715 531060553 /nfs/dbraw/zinc/06/05/53/531060553.db2.gz NANBNKIEWFEXTF-AWEZNQCLSA-N 0 3 376.523 0.163 20 0 GCADHN COC(=O)CCCS(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000543687205 531074824 /nfs/dbraw/zinc/07/48/24/531074824.db2.gz LDLSYZMIHCVNTR-UHFFFAOYSA-N 0 3 375.535 0.619 20 0 GCADHN CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000537717883 531076543 /nfs/dbraw/zinc/07/65/43/531076543.db2.gz CEXPFBKNBFBKQU-CHWSQXEVSA-N 0 3 377.532 0.624 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000515162746 531086828 /nfs/dbraw/zinc/08/68/28/531086828.db2.gz NTRQXTOTKVNFMY-GHMZBOCLSA-N 0 3 386.392 0.943 20 0 GCADHN CS[C@@H]1CN(S(=O)(=O)CCCN2CCOCC2)C[C@H]1N1CCCC1 ZINC000614987224 531088410 /nfs/dbraw/zinc/08/84/10/531088410.db2.gz JDKZRAZERSPMIF-HZPDHXFCSA-N 0 3 377.576 0.550 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@H]1CCCN1C ZINC000515414164 531088751 /nfs/dbraw/zinc/08/87/51/531088751.db2.gz DSCBBDJSKITXAB-CQSZACIVSA-N 0 3 389.543 0.394 20 0 GCADHN O=C(CN1CCNCC1)NCc1cn(Cc2ccc(Br)s2)nn1 ZINC000630589384 531090835 /nfs/dbraw/zinc/09/08/35/531090835.db2.gz YIYQUEUSQUIBOF-UHFFFAOYSA-N 0 3 399.318 0.672 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000546568912 531091469 /nfs/dbraw/zinc/09/14/69/531091469.db2.gz DSZHWFGYKDFEMH-SJKOYZFVSA-N 0 3 396.285 0.985 20 0 GCADHN O=S(=O)(NCc1cn(C[C@H]2CCCCC2(F)F)nn1)N1CCNCC1 ZINC000630596566 531091491 /nfs/dbraw/zinc/09/14/91/531091491.db2.gz YQEOBVVEXYOEHI-GFCCVEGCSA-N 0 3 378.449 0.343 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NCCCCN2CCN(C)CC2)s1 ZINC000515709302 531091671 /nfs/dbraw/zinc/09/16/71/531091671.db2.gz MICVKQAPTZNKSU-UHFFFAOYSA-N 0 3 375.516 0.841 20 0 GCADHN Cn1cc(Br)c(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000640325465 531091808 /nfs/dbraw/zinc/09/18/08/531091808.db2.gz HKSBRWWWEHJOFW-UHFFFAOYSA-N 0 3 399.293 0.955 20 0 GCADHN Cc1ccc(Br)c(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000515812768 531092008 /nfs/dbraw/zinc/09/20/08/531092008.db2.gz WWFFKDWRAAPESR-ZDUSSCGKSA-N 0 3 383.290 0.475 20 0 GCADHN CSC1(CNC(=O)N2CCN(c3nc(N)ns3)CC2)CCN(C)CC1 ZINC000567040597 531093882 /nfs/dbraw/zinc/09/38/82/531093882.db2.gz XZPXTFIIDVRGQY-UHFFFAOYSA-N 0 3 385.563 0.779 20 0 GCADHN CN(C)CC1(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCC1 ZINC000546906337 531094532 /nfs/dbraw/zinc/09/45/32/531094532.db2.gz QLXFBNPIQLBYOH-UHFFFAOYSA-N 0 3 375.878 0.967 20 0 GCADHN C[C@H]1C[C@@H](NCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCO1 ZINC000516453265 531095712 /nfs/dbraw/zinc/09/57/12/531095712.db2.gz FKOZWVDGMCTGRP-KBPBESRZSA-N 0 3 390.527 0.868 20 0 GCADHN COC(=O)C1CCC([NH2+]CC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)CC1 ZINC000426358884 531099660 /nfs/dbraw/zinc/09/96/60/531099660.db2.gz WTLNLTRGZHGSSU-UHFFFAOYSA-N 0 3 377.488 0.757 20 0 GCADHN CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](N)C1 ZINC000428988013 531105123 /nfs/dbraw/zinc/10/51/23/531105123.db2.gz ZYWQOLKCWVJUFM-UONOGXRCSA-N 0 3 387.889 0.433 20 0 GCADHN O=C1[C@H](NC[C@@H](O)COc2ccc(Br)cc2)CCCN1CCO ZINC000564329675 531103917 /nfs/dbraw/zinc/10/39/17/531103917.db2.gz ZGPLFZPPCDSYJK-UKRRQHHQSA-N 0 3 387.274 0.762 20 0 GCADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000130615458 531071392 /nfs/dbraw/zinc/07/13/92/531071392.db2.gz PDGBJAMFSCNRJI-UHFFFAOYSA-N 0 3 386.294 0.734 20 0 GCADHN CN1CCCN(C(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 ZINC000665557927 531072646 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C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)C1 ZINC000548371065 531115917 /nfs/dbraw/zinc/11/59/17/531115917.db2.gz QKMXYXFCEMJQGF-ZDUSSCGKSA-N 0 3 387.527 0.700 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)s1 ZINC000673306944 531117008 /nfs/dbraw/zinc/11/70/08/531117008.db2.gz CUTXULXTCLUCJT-LBPRGKRZSA-N 0 3 385.511 0.465 20 0 GCADHN Cc1c(C(=O)N[C@@H](CO)CN(C)C)nnn1-c1cccc(Br)c1 ZINC000673519551 531117235 /nfs/dbraw/zinc/11/72/35/531117235.db2.gz ABQMSKRNOKPWFZ-GFCCVEGCSA-N 0 3 382.262 0.991 20 0 GCADHN CCN(CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000431893746 531118444 /nfs/dbraw/zinc/11/84/44/531118444.db2.gz ISGHSFBAZJIRGO-LSDHHAIUSA-N 0 3 381.564 0.452 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000548795605 531123084 /nfs/dbraw/zinc/12/30/84/531123084.db2.gz IHBFDNNGHVNWMH-MRXNPFEDSA-N 0 3 375.466 0.313 20 0 GCADHN COC(=O)C1CCN(S(=O)(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000432297183 531123104 /nfs/dbraw/zinc/12/31/04/531123104.db2.gz HYEFWWNLKRTHEZ-CQSZACIVSA-N 0 3 377.507 0.207 20 0 GCADHN CCCCN(C)CCNC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 ZINC000432388699 531123470 /nfs/dbraw/zinc/12/34/70/531123470.db2.gz TUYLNUPQKSGKIF-UHFFFAOYSA-N 0 3 378.539 0.412 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)NCCN2CCC(OC)CC2)s1 ZINC000674327106 531125192 /nfs/dbraw/zinc/12/51/92/531125192.db2.gz PDEJRPPZMHWJEQ-UHFFFAOYSA-N 0 3 390.531 0.566 20 0 GCADHN COC1CCN(CCNC(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000674327134 531125398 /nfs/dbraw/zinc/12/53/98/531125398.db2.gz QAOBKFXLFOCFAE-UHFFFAOYSA-N 0 3 376.504 0.306 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)c1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000549628356 531128149 /nfs/dbraw/zinc/12/81/49/531128149.db2.gz MPCLSPGVLNFEKQ-RYUDHWBXSA-N 0 3 394.540 0.958 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCCO1 ZINC000433337071 531128199 /nfs/dbraw/zinc/12/81/99/531128199.db2.gz XSEINPJXEWZIMX-HUUCEWRRSA-N 0 3 376.523 0.211 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C[C@H](C)O1 ZINC000674731704 531128440 /nfs/dbraw/zinc/12/84/40/531128440.db2.gz HYPICVGGZZQRIJ-XHSDSOJGSA-N 0 3 375.535 0.806 20 0 GCADHN CS(=O)(=O)N1CCC[C@H](N[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000551015065 531134251 /nfs/dbraw/zinc/13/42/51/531134251.db2.gz UPXFPQKZBVBSBV-XJKSGUPXSA-N 0 3 387.527 0.725 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000434420743 531135906 /nfs/dbraw/zinc/13/59/06/531135906.db2.gz SBWGCMRJJASWGE-KGLIPLIRSA-N 0 3 381.564 0.010 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@H](CO)CN1CCCC1 ZINC000640325102 531138322 /nfs/dbraw/zinc/13/83/22/531138322.db2.gz RHSKBNJFFVCXKU-ZDUSSCGKSA-N 0 3 375.878 0.191 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC1([S@](C)=O)CCC1 ZINC000435631051 531142308 /nfs/dbraw/zinc/14/23/08/531142308.db2.gz ZNXRVYDNENIUEB-QHCPKHFHSA-N 0 3 376.548 0.641 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)s1 ZINC000552158312 531142392 /nfs/dbraw/zinc/14/23/92/531142392.db2.gz MFFVMFXXSVXLLX-IHRRRGAJSA-N 0 3 387.527 0.343 20 0 GCADHN O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCCN1CC[C@@H](O)C1 ZINC000629178735 531150317 /nfs/dbraw/zinc/15/03/17/531150317.db2.gz HYAKJFWACQFEQF-SNVBAGLBSA-N 0 3 396.296 0.455 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(NC[C@H]2CCCN(C)C2)c(S(N)(=O)=O)c1 ZINC000553387052 531151560 /nfs/dbraw/zinc/15/15/60/531151560.db2.gz QDSMKYYBXFTEMS-GFCCVEGCSA-N 0 3 390.531 0.338 20 0 GCADHN C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H](C)C1 ZINC000553782947 531156353 /nfs/dbraw/zinc/15/63/53/531156353.db2.gz FNLVNSNATJDLFM-LOWVWBTDSA-N 0 3 399.289 0.900 20 0 GCADHN C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H](C)C1 ZINC000553782947 531156355 /nfs/dbraw/zinc/15/63/55/531156355.db2.gz FNLVNSNATJDLFM-LOWVWBTDSA-N 0 3 399.289 0.900 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553967962 531158571 /nfs/dbraw/zinc/15/85/71/531158571.db2.gz GCYXDZZDYZXGMI-JLLWLGSASA-N 0 3 386.440 0.591 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC000439186762 531159933 /nfs/dbraw/zinc/15/99/33/531159933.db2.gz GUSLJFGTGZBEHA-MYODQAERSA-N 0 3 376.548 0.593 20 0 GCADHN CC(C)CS(=O)(=O)CCC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000554219476 531160694 /nfs/dbraw/zinc/16/06/94/531160694.db2.gz UXYJOAONLZAOIQ-UHFFFAOYSA-N 0 3 375.535 0.556 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc(Cl)c1F ZINC000439636898 531162917 /nfs/dbraw/zinc/16/29/17/531162917.db2.gz FIJPJGRGVOVSBV-UHFFFAOYSA-N 0 3 375.828 0.817 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000658401520 531163156 /nfs/dbraw/zinc/16/31/56/531163156.db2.gz GAIGLUOKEINIKV-CYBMUJFWSA-N 0 3 387.527 0.890 20 0 GCADHN CS(=O)(=O)N1CCN(CCNCc2cncc(Br)c2)CC1 ZINC000681007562 531163327 /nfs/dbraw/zinc/16/33/27/531163327.db2.gz QFPVJPAUOYEQSZ-UHFFFAOYSA-N 0 3 377.308 0.511 20 0 GCADHN CSC1(CNC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CCN(C)CC1 ZINC000555238618 531167506 /nfs/dbraw/zinc/16/75/06/531167506.db2.gz FSKUDYHPWUPECU-UHFFFAOYSA-N 0 3 392.591 0.879 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000440292988 531170419 /nfs/dbraw/zinc/17/04/19/531170419.db2.gz ORMUQBMLSRCGRK-UHFFFAOYSA-N 0 3 398.305 0.879 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000440357518 531172119 /nfs/dbraw/zinc/17/21/19/531172119.db2.gz MUMSSBVQCUVNFV-MRXNPFEDSA-N 0 3 383.495 0.915 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)CNC(C)C)CC2)c1 ZINC000564471923 531174506 /nfs/dbraw/zinc/17/45/06/531174506.db2.gz UXDMUKPZWAUODZ-UHFFFAOYSA-N 0 3 389.499 0.366 20 0 GCADHN COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCN1CC[NH2+]CC1 ZINC000440727432 531175959 /nfs/dbraw/zinc/17/59/59/531175959.db2.gz BARVSAPVFBXLMK-UHFFFAOYSA-N 0 3 391.921 0.939 20 0 GCADHN COC1(CNCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCC1 ZINC000564872477 531176905 /nfs/dbraw/zinc/17/69/05/531176905.db2.gz HLPODAPHLDAXFP-UHFFFAOYSA-N 0 3 390.527 0.869 20 0 GCADHN CNCCN(C)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000440833861 531176973 /nfs/dbraw/zinc/17/69/73/531176973.db2.gz QBQGMGCVHDJBKM-UHFFFAOYSA-N 0 3 378.248 0.620 20 0 GCADHN CNCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000440837460 531177382 /nfs/dbraw/zinc/17/73/82/531177382.db2.gz XXPZBUUFMXHGAX-UHFFFAOYSA-N 0 3 375.516 0.701 20 0 GCADHN CN(CCNC[C@H](O)COC1CCOCC1)S(=O)(=O)c1cccs1 ZINC000564852970 531177443 /nfs/dbraw/zinc/17/74/43/531177443.db2.gz WBQWDVNHDCFBIQ-ZDUSSCGKSA-N 0 3 378.516 0.515 20 0 GCADHN C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCC[NH2+]C1 ZINC000440839213 531177475 /nfs/dbraw/zinc/17/74/75/531177475.db2.gz AJDMQQHWRSKSIB-OAHLLOKOSA-N 0 3 375.878 0.872 20 0 GCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000441051304 531179239 /nfs/dbraw/zinc/17/92/39/531179239.db2.gz QKLHXBVAEJEMEI-MFKMUULPSA-N 0 3 399.289 0.885 20 0 GCADHN C[C@H](CC[NH+](C)C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441184252 531179965 /nfs/dbraw/zinc/17/99/65/531179965.db2.gz UYBVDSWUPBKQMI-LLVKDONJSA-N 0 3 378.445 0.883 20 0 GCADHN CN(C)CCOCCNC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000441856067 531182954 /nfs/dbraw/zinc/18/29/54/531182954.db2.gz AZJPVYDKOJIUFY-UHFFFAOYSA-N 0 3 391.877 0.376 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCCCn3cc(Br)cn3)CCN2C1=O ZINC000565250805 531183191 /nfs/dbraw/zinc/18/31/91/531183191.db2.gz QPYJSTWFCMTKTF-QWHCGFSZSA-N 0 3 399.293 0.379 20 0 GCADHN Cc1c(Br)cccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565249444 531183739 /nfs/dbraw/zinc/18/37/39/531183739.db2.gz HJSPXPUMNQOYEM-JQWIXIFHSA-N 0 3 395.257 0.466 20 0 GCADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(F)c2)C[C@@H]1N(C)C ZINC000565747085 531189873 /nfs/dbraw/zinc/18/98/73/531189873.db2.gz ZDDFSSJEMLSXJV-UONOGXRCSA-N 0 3 375.491 0.608 20 0 GCADHN CCCN1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 ZINC000442906262 531191031 /nfs/dbraw/zinc/19/10/31/531191031.db2.gz VCJWBURKLFJMDA-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CN(CCCN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21)S(C)(=O)=O ZINC000685644485 531191835 /nfs/dbraw/zinc/19/18/35/531191835.db2.gz BZTVRIZKLUAIKF-HNNXBMFYSA-N 0 3 375.516 0.583 20 0 GCADHN O[C@H](CNC[C@H](O)COc1ccc(Br)cc1)CN1CCOCC1 ZINC000566230886 531196122 /nfs/dbraw/zinc/19/61/22/531196122.db2.gz FTRBBCJYGQMWLU-CABCVRRESA-N 0 3 389.290 0.472 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566198971 531195428 /nfs/dbraw/zinc/19/54/28/531195428.db2.gz KNXVYLLMHGCWIZ-GHMZBOCLSA-N 0 3 385.262 0.560 20 0 GCADHN COCCN(C)C[C@H](O)CN(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000566417784 531197633 /nfs/dbraw/zinc/19/76/33/531197633.db2.gz YKIPXGTWAMCXGF-GJZGRUSLSA-N 0 3 388.306 0.846 20 0 GCADHN COCCN(C)C[C@@H](O)CN(C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000566417781 531197638 /nfs/dbraw/zinc/19/76/38/531197638.db2.gz YKIPXGTWAMCXGF-CABCVRRESA-N 0 3 388.306 0.846 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000566336757 531197139 /nfs/dbraw/zinc/19/71/39/531197139.db2.gz JJWHLUNNULXFQB-KFWWJZLASA-N 0 3 381.564 0.593 20 0 GCADHN COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443101327 531197156 /nfs/dbraw/zinc/19/71/56/531197156.db2.gz HZSLMPULVLUKEE-LSDHHAIUSA-N 0 3 375.535 0.664 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735628188 598836799 /nfs/dbraw/zinc/83/67/99/598836799.db2.gz SNUZUPIXRXHFHR-RYUDHWBXSA-N 0 3 389.464 0.704 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000735628188 598836801 /nfs/dbraw/zinc/83/68/01/598836801.db2.gz SNUZUPIXRXHFHR-RYUDHWBXSA-N 0 3 389.464 0.704 20 0 GCADHN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736401780 598841270 /nfs/dbraw/zinc/84/12/70/598841270.db2.gz YCFOHTRLRXWSPM-MRXNPFEDSA-N 0 3 385.472 0.977 20 0 GCADHN CC[C@@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736401780 598841271 /nfs/dbraw/zinc/84/12/71/598841271.db2.gz YCFOHTRLRXWSPM-MRXNPFEDSA-N 0 3 385.472 0.977 20 0 GCADHN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736401780 598841273 /nfs/dbraw/zinc/84/12/73/598841273.db2.gz YCFOHTRLRXWSPM-MRXNPFEDSA-N 0 3 385.472 0.977 20 0 GCADHN CC[C@@H]1CCCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736401780 598841274 /nfs/dbraw/zinc/84/12/74/598841274.db2.gz YCFOHTRLRXWSPM-MRXNPFEDSA-N 0 3 385.472 0.977 20 0 GCADHN CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000736634494 598854148 /nfs/dbraw/zinc/85/41/48/598854148.db2.gz HXTAEKXJDOXHTK-GFCCVEGCSA-N 0 3 387.444 0.614 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000736634494 598854149 /nfs/dbraw/zinc/85/41/49/598854149.db2.gz HXTAEKXJDOXHTK-GFCCVEGCSA-N 0 3 387.444 0.614 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@H+](C)CCCO)CC1 ZINC000736900295 598863664 /nfs/dbraw/zinc/86/36/64/598863664.db2.gz DPOREPOMAVWBCD-KRWDZBQOSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000736900295 598863666 /nfs/dbraw/zinc/86/36/66/598863666.db2.gz DPOREPOMAVWBCD-KRWDZBQOSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@H+](C)CCCO)CC1 ZINC000736900295 598863668 /nfs/dbraw/zinc/86/36/68/598863668.db2.gz DPOREPOMAVWBCD-KRWDZBQOSA-N 0 3 388.472 0.859 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000736900295 598863671 /nfs/dbraw/zinc/86/36/71/598863671.db2.gz DPOREPOMAVWBCD-KRWDZBQOSA-N 0 3 388.472 0.859 20 0 GCADHN C[NH+](C)C1(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)CCOCC1 ZINC000736756000 598880010 /nfs/dbraw/zinc/88/00/10/598880010.db2.gz FQGVAGXUKAUWEH-UHFFFAOYSA-N 0 3 389.464 0.084 20 0 GCADHN C[NH+](C)C1(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)CCOCC1 ZINC000736756000 598880012 /nfs/dbraw/zinc/88/00/12/598880012.db2.gz FQGVAGXUKAUWEH-UHFFFAOYSA-N 0 3 389.464 0.084 20 0 GCADHN OCC1([NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc2C1 ZINC000738394509 598900370 /nfs/dbraw/zinc/90/03/70/598900370.db2.gz RWHWUSRRNRYPEY-KRWDZBQOSA-N 0 3 381.436 0.726 20 0 GCADHN C[C@@](O)(C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(F)cc1F ZINC000736143569 598920090 /nfs/dbraw/zinc/92/00/90/598920090.db2.gz UHDDBEBGOFVODR-DYZYQPBXSA-N 0 3 390.398 0.880 20 0 GCADHN C[C@@](O)(C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(F)cc1F ZINC000736143569 598920091 /nfs/dbraw/zinc/92/00/91/598920091.db2.gz UHDDBEBGOFVODR-DYZYQPBXSA-N 0 3 390.398 0.880 20 0 GCADHN CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735734179 598931304 /nfs/dbraw/zinc/93/13/04/598931304.db2.gz LHODZZYTWGPBLR-HNNXBMFYSA-N 0 3 388.476 0.583 20 0 GCADHN CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735734179 598931305 /nfs/dbraw/zinc/93/13/05/598931305.db2.gz LHODZZYTWGPBLR-HNNXBMFYSA-N 0 3 388.476 0.583 20 0 GCADHN CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736481527 598933529 /nfs/dbraw/zinc/93/35/29/598933529.db2.gz VQOXCBMIFYFIKO-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736481527 598933531 /nfs/dbraw/zinc/93/35/31/598933531.db2.gz VQOXCBMIFYFIKO-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN O=C(C1CC1)N1CCC([NH2+][C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000737780818 598960094 /nfs/dbraw/zinc/96/00/94/598960094.db2.gz FQPHOTKQOFTWPK-QGZVFWFLSA-N 0 3 395.467 0.963 20 0 GCADHN CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736749197 599031073 /nfs/dbraw/zinc/03/10/73/599031073.db2.gz NOSCKNWWMURUMR-UHFFFAOYSA-N 0 3 381.444 0.695 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000735560252 599078660 /nfs/dbraw/zinc/07/86/60/599078660.db2.gz CQOBQQSLKFQVCU-JKSUJKDBSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560252 599078663 /nfs/dbraw/zinc/07/86/63/599078663.db2.gz CQOBQQSLKFQVCU-JKSUJKDBSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000735560252 599078666 /nfs/dbraw/zinc/07/86/66/599078666.db2.gz CQOBQQSLKFQVCU-JKSUJKDBSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560252 599078669 /nfs/dbraw/zinc/07/86/69/599078669.db2.gz CQOBQQSLKFQVCU-JKSUJKDBSA-N 0 3 398.515 0.906 20 0 GCADHN CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000736858149 599104204 /nfs/dbraw/zinc/10/42/04/599104204.db2.gz PWEBPAWQAMKLDG-CQSZACIVSA-N 0 3 381.444 0.801 20 0 GCADHN CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000736858149 599104206 /nfs/dbraw/zinc/10/42/06/599104206.db2.gz PWEBPAWQAMKLDG-CQSZACIVSA-N 0 3 381.444 0.801 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000738388978 599146521 /nfs/dbraw/zinc/14/65/21/599146521.db2.gz UVTKAFKNVUNYMZ-DOTOQJQBSA-N 0 3 388.472 0.261 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000738388978 599146522 /nfs/dbraw/zinc/14/65/22/599146522.db2.gz UVTKAFKNVUNYMZ-DOTOQJQBSA-N 0 3 388.472 0.261 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000736637240 599283200 /nfs/dbraw/zinc/28/32/00/599283200.db2.gz UPQQCUMYYUXLHN-AWEZNQCLSA-N 0 3 387.444 0.660 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000736569328 599283463 /nfs/dbraw/zinc/28/34/63/599283463.db2.gz FZGRVVIRGSOPDL-ZDUSSCGKSA-N 0 3 387.444 0.804 20 0 GCADHN C[NH+](C)CCn1ccc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC000821586994 599286493 /nfs/dbraw/zinc/28/64/93/599286493.db2.gz ATVNMVZMZQLFHS-UHFFFAOYSA-N 0 3 385.436 0.253 20 0 GCADHN C[NH+](C)CCn1ccc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC000821586994 599286496 /nfs/dbraw/zinc/28/64/96/599286496.db2.gz ATVNMVZMZQLFHS-UHFFFAOYSA-N 0 3 385.436 0.253 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000820128516 607332372 /nfs/dbraw/zinc/33/23/72/607332372.db2.gz QHCIIZIGYFHQSA-UHFFFAOYSA-N 0 3 375.408 0.933 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000820128516 607332373 /nfs/dbraw/zinc/33/23/73/607332373.db2.gz QHCIIZIGYFHQSA-UHFFFAOYSA-N 0 3 375.408 0.933 20 0 GCADHN O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000823323304 607335269 /nfs/dbraw/zinc/33/52/69/607335269.db2.gz KDJOUVVKUJUHJC-UHFFFAOYSA-N 0 3 396.386 0.688 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821581182 607343526 /nfs/dbraw/zinc/34/35/26/607343526.db2.gz FAYCBFNPHKNDNI-VXGBXAGGSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821581182 607343529 /nfs/dbraw/zinc/34/35/29/607343529.db2.gz FAYCBFNPHKNDNI-VXGBXAGGSA-N 0 3 375.408 0.933 20 0 GCADHN COCCN(CC[NH+](C)C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736994081 598239862 /nfs/dbraw/zinc/23/98/62/598239862.db2.gz CWXAFFKKLPKQAY-UHFFFAOYSA-N 0 3 399.459 0.285 20 0 GCADHN COCCN(CC[NH+](C)C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736994081 598239863 /nfs/dbraw/zinc/23/98/63/598239863.db2.gz CWXAFFKKLPKQAY-UHFFFAOYSA-N 0 3 399.459 0.285 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000737294039 598265964 /nfs/dbraw/zinc/26/59/64/598265964.db2.gz KLEDNKXXQTZRLV-AWEZNQCLSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000737294039 598265965 /nfs/dbraw/zinc/26/59/65/598265965.db2.gz KLEDNKXXQTZRLV-AWEZNQCLSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000737294039 598265966 /nfs/dbraw/zinc/26/59/66/598265966.db2.gz KLEDNKXXQTZRLV-AWEZNQCLSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000737294039 598265967 /nfs/dbraw/zinc/26/59/67/598265967.db2.gz KLEDNKXXQTZRLV-AWEZNQCLSA-N 0 3 386.460 0.884 20 0 GCADHN CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000820127068 607350333 /nfs/dbraw/zinc/35/03/33/607350333.db2.gz IIKUJJMTAHZURB-UHFFFAOYSA-N 0 3 384.488 0.892 20 0 GCADHN CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000820127068 607350335 /nfs/dbraw/zinc/35/03/35/607350335.db2.gz IIKUJJMTAHZURB-UHFFFAOYSA-N 0 3 384.488 0.892 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736146281 598348676 /nfs/dbraw/zinc/34/86/76/598348676.db2.gz ZJJRZNQQEIPYCE-KBPBESRZSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736146281 598348678 /nfs/dbraw/zinc/34/86/78/598348678.db2.gz ZJJRZNQQEIPYCE-KBPBESRZSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736146281 598348680 /nfs/dbraw/zinc/34/86/80/598348680.db2.gz ZJJRZNQQEIPYCE-KBPBESRZSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736146281 598348685 /nfs/dbraw/zinc/34/86/85/598348685.db2.gz ZJJRZNQQEIPYCE-KBPBESRZSA-N 0 3 387.488 0.971 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000736704653 598349398 /nfs/dbraw/zinc/34/93/98/598349398.db2.gz APNLBGLKWUQULD-NEPJUHHUSA-N 0 3 381.444 0.952 20 0 GCADHN Cc1oc(NC(=O)CN2CCC([N@@H+](C)C[C@@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000737552856 598349586 /nfs/dbraw/zinc/34/95/86/598349586.db2.gz ROWAOWCLLWGNGS-LLVKDONJSA-N 0 3 391.476 0.792 20 0 GCADHN Cc1oc(NC(=O)CN2CCC([N@H+](C)C[C@@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000737552856 598349587 /nfs/dbraw/zinc/34/95/87/598349587.db2.gz ROWAOWCLLWGNGS-LLVKDONJSA-N 0 3 391.476 0.792 20 0 GCADHN CN1CCN(C[C@@H]2CN(CCOc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000736862810 598353227 /nfs/dbraw/zinc/35/32/27/598353227.db2.gz FXJUDWCGYANQFE-GOSISDBHSA-N 0 3 387.488 0.194 20 0 GCADHN CCOC[C@H](O)CN1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736610968 598353384 /nfs/dbraw/zinc/35/33/84/598353384.db2.gz ZZFMLEWYRVGMAX-QGZVFWFLSA-N 0 3 390.488 0.651 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000736266892 598402781 /nfs/dbraw/zinc/40/27/81/598402781.db2.gz KTJCAOPTRAUMKC-ZIAGYGMSSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCCC[C@H]1C ZINC000736266892 598402782 /nfs/dbraw/zinc/40/27/82/598402782.db2.gz KTJCAOPTRAUMKC-ZIAGYGMSSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000736266892 598402783 /nfs/dbraw/zinc/40/27/83/598402783.db2.gz KTJCAOPTRAUMKC-ZIAGYGMSSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCCC[C@H]1C ZINC000736266892 598402784 /nfs/dbraw/zinc/40/27/84/598402784.db2.gz KTJCAOPTRAUMKC-ZIAGYGMSSA-N 0 3 385.472 0.976 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859962 598425349 /nfs/dbraw/zinc/42/53/49/598425349.db2.gz KRBMSZRXEVKUDQ-KRWDZBQOSA-N 0 3 399.499 0.874 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859962 598425350 /nfs/dbraw/zinc/42/53/50/598425350.db2.gz KRBMSZRXEVKUDQ-KRWDZBQOSA-N 0 3 399.499 0.874 20 0 GCADHN Cc1oc(NC(=O)[C@@H](C)N2CCO[C@@H](C[NH+](C)C)C2)c(-c2nnn[n-]2)c1C ZINC000737550705 598427517 /nfs/dbraw/zinc/42/75/17/598427517.db2.gz BRVCPOFPGMHSTP-YPMHNXCESA-N 0 3 377.449 0.666 20 0 GCADHN Cc1oc(NC(=O)[C@H](C)N2CCO[C@H](C[NH+](C)C)C2)c(-c2nnn[n-]2)c1C ZINC000737550702 598427736 /nfs/dbraw/zinc/42/77/36/598427736.db2.gz BRVCPOFPGMHSTP-WCQYABFASA-N 0 3 377.449 0.666 20 0 GCADHN CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736322540 598430770 /nfs/dbraw/zinc/43/07/70/598430770.db2.gz LKRQTQJGQQZKAU-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736322540 598430771 /nfs/dbraw/zinc/43/07/71/598430771.db2.gz LKRQTQJGQQZKAU-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736322540 598430772 /nfs/dbraw/zinc/43/07/72/598430772.db2.gz LKRQTQJGQQZKAU-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736322540 598430773 /nfs/dbraw/zinc/43/07/73/598430773.db2.gz LKRQTQJGQQZKAU-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000737776417 598435088 /nfs/dbraw/zinc/43/50/88/598435088.db2.gz MRYRJWRJCGDLFS-ZFWWWQNUSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000737776417 598435090 /nfs/dbraw/zinc/43/50/90/598435090.db2.gz MRYRJWRJCGDLFS-ZFWWWQNUSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000737776417 598435091 /nfs/dbraw/zinc/43/50/91/598435091.db2.gz MRYRJWRJCGDLFS-ZFWWWQNUSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000737776417 598435092 /nfs/dbraw/zinc/43/50/92/598435092.db2.gz MRYRJWRJCGDLFS-ZFWWWQNUSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000737777431 598438977 /nfs/dbraw/zinc/43/89/77/598438977.db2.gz UXWGYWRURIRAMB-HNNXBMFYSA-N 0 3 393.455 0.945 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000737777431 598438978 /nfs/dbraw/zinc/43/89/78/598438978.db2.gz UXWGYWRURIRAMB-HNNXBMFYSA-N 0 3 393.455 0.945 20 0 GCADHN COCCN1CC[C@@H](NC(=O)COc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000737008978 598466212 /nfs/dbraw/zinc/46/62/12/598466212.db2.gz XOZZIHXXQNFVOY-CYBMUJFWSA-N 0 3 376.417 0.091 20 0 GCADHN COC1CCN(C(C)(C)C[NH2+]Cc2cnc3c(-c4nnn[n-]4)cnn3c2)CC1 ZINC000736961596 598471939 /nfs/dbraw/zinc/47/19/39/598471939.db2.gz LAMUIFMOHWMSSX-UHFFFAOYSA-N 0 3 385.476 0.888 20 0 GCADHN C[C@@H](CC[NH+](C)C)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735986392 598479485 /nfs/dbraw/zinc/47/94/85/598479485.db2.gz RSRVRGONZAZMPF-ZDUSSCGKSA-N 0 3 387.492 0.870 20 0 GCADHN C[C@@H](CC[NH+](C)C)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735986392 598479487 /nfs/dbraw/zinc/47/94/87/598479487.db2.gz RSRVRGONZAZMPF-ZDUSSCGKSA-N 0 3 387.492 0.870 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736855205 598497064 /nfs/dbraw/zinc/49/70/64/598497064.db2.gz FZNQIYYDSJVOKG-JTQLQIEISA-N 0 3 377.836 0.917 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736855205 598497066 /nfs/dbraw/zinc/49/70/66/598497066.db2.gz FZNQIYYDSJVOKG-JTQLQIEISA-N 0 3 377.836 0.917 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736855205 598497068 /nfs/dbraw/zinc/49/70/68/598497068.db2.gz FZNQIYYDSJVOKG-JTQLQIEISA-N 0 3 377.836 0.917 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736855205 598497070 /nfs/dbraw/zinc/49/70/70/598497070.db2.gz FZNQIYYDSJVOKG-JTQLQIEISA-N 0 3 377.836 0.917 20 0 GCADHN CN(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Cc1ccccc1 ZINC000736760966 598517798 /nfs/dbraw/zinc/51/77/98/598517798.db2.gz RYCLIGUTUFOOGG-HZPDHXFCSA-N 0 3 381.488 0.867 20 0 GCADHN CN(C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Cc1ccccc1 ZINC000736760966 598517799 /nfs/dbraw/zinc/51/77/99/598517799.db2.gz RYCLIGUTUFOOGG-HZPDHXFCSA-N 0 3 381.488 0.867 20 0 GCADHN O=C(C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Nc1ccc(F)c(F)c1 ZINC000737894530 598519448 /nfs/dbraw/zinc/51/94/48/598519448.db2.gz GFSADHYMWULZKN-VIFPVBQESA-N 0 3 389.370 0.611 20 0 GCADHN COCCOc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737015021 598521992 /nfs/dbraw/zinc/52/19/92/598521992.db2.gz MHAZXGRLQNGYAA-AWEZNQCLSA-N 0 3 384.444 0.920 20 0 GCADHN COCCOc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737015021 598521994 /nfs/dbraw/zinc/52/19/94/598521994.db2.gz MHAZXGRLQNGYAA-AWEZNQCLSA-N 0 3 384.444 0.920 20 0 GCADHN c1cn(-c2ncccc2C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cn1 ZINC000738444970 598522344 /nfs/dbraw/zinc/52/23/44/598522344.db2.gz ANDKHEGJXVJOQA-LBPRGKRZSA-N 0 3 377.416 0.475 20 0 GCADHN c1cn(-c2ncccc2C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cn1 ZINC000738444970 598522345 /nfs/dbraw/zinc/52/23/45/598522345.db2.gz ANDKHEGJXVJOQA-LBPRGKRZSA-N 0 3 377.416 0.475 20 0 GCADHN c1cnn(-c2ncccc2C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000738445514 598522502 /nfs/dbraw/zinc/52/25/02/598522502.db2.gz HQZWNFYFLONDQL-LBPRGKRZSA-N 0 3 377.416 0.475 20 0 GCADHN c1cnn(-c2ncccc2C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000738445514 598522503 /nfs/dbraw/zinc/52/25/03/598522503.db2.gz HQZWNFYFLONDQL-LBPRGKRZSA-N 0 3 377.416 0.475 20 0 GCADHN COc1cccc(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1OC ZINC000737131542 598523727 /nfs/dbraw/zinc/52/37/27/598523727.db2.gz QVCMRZUJVFIHFU-LBPRGKRZSA-N 0 3 384.444 0.954 20 0 GCADHN COc1cccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1OC ZINC000737131542 598523729 /nfs/dbraw/zinc/52/37/29/598523729.db2.gz QVCMRZUJVFIHFU-LBPRGKRZSA-N 0 3 384.444 0.954 20 0 GCADHN O[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)COc1cccc(F)c1 ZINC000738380775 598524792 /nfs/dbraw/zinc/52/47/92/598524792.db2.gz HPFKJUVJMKXULM-DGCLKSJQSA-N 0 3 388.407 0.274 20 0 GCADHN O[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)COc1cccc(F)c1 ZINC000738380775 598524795 /nfs/dbraw/zinc/52/47/95/598524795.db2.gz HPFKJUVJMKXULM-DGCLKSJQSA-N 0 3 388.407 0.274 20 0 GCADHN Cc1nccn1-c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cn1 ZINC000737500047 598524846 /nfs/dbraw/zinc/52/48/46/598524846.db2.gz CBLUIHOABAKWHD-AWEZNQCLSA-N 0 3 391.443 0.784 20 0 GCADHN Cc1nccn1-c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cn1 ZINC000737500047 598524848 /nfs/dbraw/zinc/52/48/48/598524848.db2.gz CBLUIHOABAKWHD-AWEZNQCLSA-N 0 3 391.443 0.784 20 0 GCADHN O[C@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)COc1cccc(F)c1 ZINC000738380778 598525193 /nfs/dbraw/zinc/52/51/93/598525193.db2.gz HPFKJUVJMKXULM-WCQYABFASA-N 0 3 388.407 0.274 20 0 GCADHN O[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)COc1cccc(F)c1 ZINC000738380778 598525194 /nfs/dbraw/zinc/52/51/94/598525194.db2.gz HPFKJUVJMKXULM-WCQYABFASA-N 0 3 388.407 0.274 20 0 GCADHN O=C(NCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(F)cc1 ZINC000738076199 598525216 /nfs/dbraw/zinc/52/52/16/598525216.db2.gz VNLAQFNNXVHEJJ-LLVKDONJSA-N 0 3 385.407 0.264 20 0 GCADHN O=C(NCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(F)cc1 ZINC000738076199 598525217 /nfs/dbraw/zinc/52/52/17/598525217.db2.gz VNLAQFNNXVHEJJ-LLVKDONJSA-N 0 3 385.407 0.264 20 0 GCADHN OC[C@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Cc1ccc(F)cc1 ZINC000738388840 598525849 /nfs/dbraw/zinc/52/58/49/598525849.db2.gz HGNMTDXYOXMYOD-KBPBESRZSA-N 0 3 386.435 0.685 20 0 GCADHN OC[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Cc1ccc(F)cc1 ZINC000738388840 598525850 /nfs/dbraw/zinc/52/58/50/598525850.db2.gz HGNMTDXYOXMYOD-KBPBESRZSA-N 0 3 386.435 0.685 20 0 GCADHN COc1ccc(CNC(=O)C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737093669 598526290 /nfs/dbraw/zinc/52/62/90/598526290.db2.gz WOIIDLBUNNXBOI-CYBMUJFWSA-N 0 3 397.443 0.020 20 0 GCADHN CCN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736557896 598526438 /nfs/dbraw/zinc/52/64/38/598526438.db2.gz DCAPPSRJYMJZAO-OAHLLOKOSA-N 0 3 395.471 0.743 20 0 GCADHN O=C(NC1CC1)c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000738022105 598526713 /nfs/dbraw/zinc/52/67/13/598526713.db2.gz RMQRJBMMTMSAHL-ZDUSSCGKSA-N 0 3 393.455 0.787 20 0 GCADHN O=C(NC1CC1)c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000738022105 598526715 /nfs/dbraw/zinc/52/67/15/598526715.db2.gz RMQRJBMMTMSAHL-ZDUSSCGKSA-N 0 3 393.455 0.787 20 0 GCADHN O=C1C[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CN1c1ccccc1 ZINC000738302189 598526969 /nfs/dbraw/zinc/52/69/69/598526969.db2.gz VHBYZTIWXZWXMP-QWHCGFSZSA-N 0 3 379.428 0.500 20 0 GCADHN O=C1C[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CN1c1ccccc1 ZINC000738302189 598526970 /nfs/dbraw/zinc/52/69/70/598526970.db2.gz VHBYZTIWXZWXMP-QWHCGFSZSA-N 0 3 379.428 0.500 20 0 GCADHN CC(=O)Nc1cccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000735487959 598528718 /nfs/dbraw/zinc/52/87/18/598528718.db2.gz DHVCKXKBHBOUER-CYBMUJFWSA-N 0 3 397.443 0.732 20 0 GCADHN CC(=O)Nc1cccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000735487959 598528720 /nfs/dbraw/zinc/52/87/20/598528720.db2.gz DHVCKXKBHBOUER-CYBMUJFWSA-N 0 3 397.443 0.732 20 0 GCADHN CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735635354 598530330 /nfs/dbraw/zinc/53/03/30/598530330.db2.gz CFUXUHSJXBMAGW-NSHDSACASA-N 0 3 377.453 0.609 20 0 GCADHN CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735635354 598530332 /nfs/dbraw/zinc/53/03/32/598530332.db2.gz CFUXUHSJXBMAGW-NSHDSACASA-N 0 3 377.453 0.609 20 0 GCADHN c1cc2c(s1)CCN(CC[NH2+]C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000738420748 598532750 /nfs/dbraw/zinc/53/27/50/598532750.db2.gz JZMUYBHOVWLXPE-LBPRGKRZSA-N 0 3 385.501 0.814 20 0 GCADHN c1cc2c(s1)CCN(CC[NH2+]C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000738420748 598532752 /nfs/dbraw/zinc/53/27/52/598532752.db2.gz JZMUYBHOVWLXPE-LBPRGKRZSA-N 0 3 385.501 0.814 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000737776681 598536748 /nfs/dbraw/zinc/53/67/48/598536748.db2.gz PGIUWTMWUOHUIZ-GFCCVEGCSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000737776681 598536751 /nfs/dbraw/zinc/53/67/51/598536751.db2.gz PGIUWTMWUOHUIZ-GFCCVEGCSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000737776681 598536752 /nfs/dbraw/zinc/53/67/52/598536752.db2.gz PGIUWTMWUOHUIZ-GFCCVEGCSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000737776681 598536754 /nfs/dbraw/zinc/53/67/54/598536754.db2.gz PGIUWTMWUOHUIZ-GFCCVEGCSA-N 0 3 393.455 0.849 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000821700199 607360188 /nfs/dbraw/zinc/36/01/88/607360188.db2.gz HDCPAALWAHBNEB-AWEZNQCLSA-N 0 3 390.444 0.217 20 0 GCADHN CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736745882 598567996 /nfs/dbraw/zinc/56/79/96/598567996.db2.gz JQJNCSXNSKHZKC-GOEBONIOSA-N 0 3 395.471 0.394 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736746762 598581655 /nfs/dbraw/zinc/58/16/55/598581655.db2.gz OERTZBFGSLMIBB-UHFFFAOYSA-N 0 3 386.460 0.931 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736989286 598637129 /nfs/dbraw/zinc/63/71/29/598637129.db2.gz YLABXGSEPAZQBM-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736989286 598637130 /nfs/dbraw/zinc/63/71/30/598637130.db2.gz YLABXGSEPAZQBM-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736989286 598637133 /nfs/dbraw/zinc/63/71/33/598637133.db2.gz YLABXGSEPAZQBM-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736989286 598637135 /nfs/dbraw/zinc/63/71/35/598637135.db2.gz YLABXGSEPAZQBM-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CC[NH+](CCN2CCOCC2)CC1 ZINC000738177067 598702392 /nfs/dbraw/zinc/70/23/92/598702392.db2.gz FHCZOJQBNNXTPT-UHFFFAOYSA-N 0 3 385.472 0.849 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736571518 598716834 /nfs/dbraw/zinc/71/68/34/598716834.db2.gz SJUHABDTFPOHNN-MRXNPFEDSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736571518 598716836 /nfs/dbraw/zinc/71/68/36/598716836.db2.gz SJUHABDTFPOHNN-MRXNPFEDSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736570982 598716961 /nfs/dbraw/zinc/71/69/61/598716961.db2.gz QXIRLWDLDMNZQF-OAHLLOKOSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736570982 598716963 /nfs/dbraw/zinc/71/69/63/598716963.db2.gz QXIRLWDLDMNZQF-OAHLLOKOSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736570982 598716965 /nfs/dbraw/zinc/71/69/65/598716965.db2.gz QXIRLWDLDMNZQF-OAHLLOKOSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736570982 598716967 /nfs/dbraw/zinc/71/69/67/598716967.db2.gz QXIRLWDLDMNZQF-OAHLLOKOSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736570980 598717077 /nfs/dbraw/zinc/71/70/77/598717077.db2.gz QXIRLWDLDMNZQF-HNNXBMFYSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736570980 598717079 /nfs/dbraw/zinc/71/70/79/598717079.db2.gz QXIRLWDLDMNZQF-HNNXBMFYSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736570980 598717081 /nfs/dbraw/zinc/71/70/81/598717081.db2.gz QXIRLWDLDMNZQF-HNNXBMFYSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736570980 598717083 /nfs/dbraw/zinc/71/70/83/598717083.db2.gz QXIRLWDLDMNZQF-HNNXBMFYSA-N 0 3 399.503 0.968 20 0 GCADHN O=C1CCCN1C[C@H](O)CN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738301522 598728425 /nfs/dbraw/zinc/72/84/25/598728425.db2.gz BIOYNZMMHLYYDG-OAHLLOKOSA-N 0 3 386.456 0.693 20 0 GCADHN COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737008514 598732343 /nfs/dbraw/zinc/73/23/43/598732343.db2.gz UXNSYLBNTAOKAZ-ZDUSSCGKSA-N 0 3 389.464 0.084 20 0 GCADHN COCC[N@H+]1CCC[C@H]1CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737008514 598732345 /nfs/dbraw/zinc/73/23/45/598732345.db2.gz UXNSYLBNTAOKAZ-ZDUSSCGKSA-N 0 3 389.464 0.084 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737844291 598761545 /nfs/dbraw/zinc/76/15/45/598761545.db2.gz ROOPPGPTVPCSKE-ZDUSSCGKSA-N 0 3 384.444 0.685 20 0 GCADHN O=C(CC[N@H+]1CCC[C@H](N2CCNC2=O)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737844291 598761546 /nfs/dbraw/zinc/76/15/46/598761546.db2.gz ROOPPGPTVPCSKE-ZDUSSCGKSA-N 0 3 384.444 0.685 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737844291 598761547 /nfs/dbraw/zinc/76/15/47/598761547.db2.gz ROOPPGPTVPCSKE-ZDUSSCGKSA-N 0 3 384.444 0.685 20 0 GCADHN O=C(CC[N@H+]1CCC[C@H](N2CCNC2=O)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737844291 598761548 /nfs/dbraw/zinc/76/15/48/598761548.db2.gz ROOPPGPTVPCSKE-ZDUSSCGKSA-N 0 3 384.444 0.685 20 0 GCADHN C[N@H+](CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC000736800308 598782919 /nfs/dbraw/zinc/78/29/19/598782919.db2.gz JMFYQJQALDYLEN-UHFFFAOYSA-N 0 3 385.476 0.624 20 0 GCADHN C[N@@H+](CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC000736800308 598782921 /nfs/dbraw/zinc/78/29/21/598782921.db2.gz JMFYQJQALDYLEN-UHFFFAOYSA-N 0 3 385.476 0.624 20 0 GCADHN C[N@H+](CCNC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)C1CC1 ZINC000736800261 598783818 /nfs/dbraw/zinc/78/38/18/598783818.db2.gz HQONRCMGRMNYIE-UHFFFAOYSA-N 0 3 388.451 0.932 20 0 GCADHN C[N@@H+](CCNC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)C1CC1 ZINC000736800261 598783821 /nfs/dbraw/zinc/78/38/21/598783821.db2.gz HQONRCMGRMNYIE-UHFFFAOYSA-N 0 3 388.451 0.932 20 0 GCADHN C[N@H+](CCNC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)C1CC1 ZINC000736800261 598783823 /nfs/dbraw/zinc/78/38/23/598783823.db2.gz HQONRCMGRMNYIE-UHFFFAOYSA-N 0 3 388.451 0.932 20 0 GCADHN C[N@@H+](CCNC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)C1CC1 ZINC000736800261 598783824 /nfs/dbraw/zinc/78/38/24/598783824.db2.gz HQONRCMGRMNYIE-UHFFFAOYSA-N 0 3 388.451 0.932 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736847831 598785495 /nfs/dbraw/zinc/78/54/95/598785495.db2.gz KCBNOMLNLXKZAR-TZMCWYRMSA-N 0 3 387.469 0.658 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736847831 598785497 /nfs/dbraw/zinc/78/54/97/598785497.db2.gz KCBNOMLNLXKZAR-TZMCWYRMSA-N 0 3 387.469 0.658 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736847828 598785829 /nfs/dbraw/zinc/78/58/29/598785829.db2.gz KCBNOMLNLXKZAR-OCCSQVGLSA-N 0 3 387.469 0.658 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736847828 598785830 /nfs/dbraw/zinc/78/58/30/598785830.db2.gz KCBNOMLNLXKZAR-OCCSQVGLSA-N 0 3 387.469 0.658 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nnn[n-]2)C1 ZINC000736848773 598814573 /nfs/dbraw/zinc/81/45/73/598814573.db2.gz NDWCVYUELKSCDG-CYBMUJFWSA-N 0 3 395.471 0.635 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nnn[n-]2)C1 ZINC000736848773 598814574 /nfs/dbraw/zinc/81/45/74/598814574.db2.gz NDWCVYUELKSCDG-CYBMUJFWSA-N 0 3 395.471 0.635 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nn[n-]n2)C1 ZINC000736848773 598814575 /nfs/dbraw/zinc/81/45/75/598814575.db2.gz NDWCVYUELKSCDG-CYBMUJFWSA-N 0 3 395.471 0.635 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nn[n-]n2)C1 ZINC000736848773 598814576 /nfs/dbraw/zinc/81/45/76/598814576.db2.gz NDWCVYUELKSCDG-CYBMUJFWSA-N 0 3 395.471 0.635 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[C@H]1[NH+](C)C ZINC000736290404 599297776 /nfs/dbraw/zinc/29/77/76/599297776.db2.gz IZIVCKKBNMUKQM-IAQYHMDHSA-N 0 3 381.444 0.657 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C[C@H]1[NH+](C)C ZINC000736290404 599297778 /nfs/dbraw/zinc/29/77/78/599297778.db2.gz IZIVCKKBNMUKQM-IAQYHMDHSA-N 0 3 381.444 0.657 20 0 GCADHN C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000736757616 599303389 /nfs/dbraw/zinc/30/33/89/599303389.db2.gz VLLZXTSTVIBCRL-JTQLQIEISA-N 0 3 397.361 0.987 20 0 GCADHN C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000736757616 599303392 /nfs/dbraw/zinc/30/33/92/599303392.db2.gz VLLZXTSTVIBCRL-JTQLQIEISA-N 0 3 397.361 0.987 20 0 GCADHN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000822153816 599354280 /nfs/dbraw/zinc/35/42/80/599354280.db2.gz PRDCRGHNCDCMQO-ZDUSSCGKSA-N 0 3 393.517 0.337 20 0 GCADHN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000822153814 599354916 /nfs/dbraw/zinc/35/49/16/599354916.db2.gz PRDCRGHNCDCMQO-CYBMUJFWSA-N 0 3 393.517 0.337 20 0 GCADHN O=C(COc1ccccc1-c1nnn[n-]1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737924403 599391274 /nfs/dbraw/zinc/39/12/74/599391274.db2.gz DMTHYMRJUMWNJB-CQSZACIVSA-N 0 3 386.456 0.863 20 0 GCADHN O=C(COc1ccccc1-c1nn[n-]n1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000737924403 599391280 /nfs/dbraw/zinc/39/12/80/599391280.db2.gz DMTHYMRJUMWNJB-CQSZACIVSA-N 0 3 386.456 0.863 20 0 GCADHN Cc1ccc(N2CC[C@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)cc1 ZINC000822241022 599448090 /nfs/dbraw/zinc/44/80/90/599448090.db2.gz JBGAZCJXEDWPKF-BBRMVZONSA-N 0 3 393.455 0.808 20 0 GCADHN CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000735904858 599510035 /nfs/dbraw/zinc/51/00/35/599510035.db2.gz ULMMUQIVBIALPN-GFCCVEGCSA-N 0 3 387.444 0.660 20 0 GCADHN CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000735904858 599510036 /nfs/dbraw/zinc/51/00/36/599510036.db2.gz ULMMUQIVBIALPN-GFCCVEGCSA-N 0 3 387.444 0.660 20 0 GCADHN C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000736847551 599513801 /nfs/dbraw/zinc/51/38/01/599513801.db2.gz HEAQLZNIIBHFJV-UHFFFAOYSA-N 0 3 377.836 0.917 20 0 GCADHN C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000736847551 599513803 /nfs/dbraw/zinc/51/38/03/599513803.db2.gz HEAQLZNIIBHFJV-UHFFFAOYSA-N 0 3 377.836 0.917 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821689026 599599145 /nfs/dbraw/zinc/59/91/45/599599145.db2.gz IHIGYCYJVIOPQQ-UHFFFAOYSA-N 0 3 375.433 0.198 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821689026 599599146 /nfs/dbraw/zinc/59/91/46/599599146.db2.gz IHIGYCYJVIOPQQ-UHFFFAOYSA-N 0 3 375.433 0.198 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821689026 599599148 /nfs/dbraw/zinc/59/91/48/599599148.db2.gz IHIGYCYJVIOPQQ-UHFFFAOYSA-N 0 3 375.433 0.198 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821689026 599599150 /nfs/dbraw/zinc/59/91/50/599599150.db2.gz IHIGYCYJVIOPQQ-UHFFFAOYSA-N 0 3 375.433 0.198 20 0 GCADHN Cc1ccoc1C(=O)NCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737442745 599599704 /nfs/dbraw/zinc/59/97/04/599599704.db2.gz GWDSXLMJCADVAG-GFCCVEGCSA-N 0 3 385.432 0.416 20 0 GCADHN Cc1ccoc1C(=O)NCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737442745 599599706 /nfs/dbraw/zinc/59/97/06/599599706.db2.gz GWDSXLMJCADVAG-GFCCVEGCSA-N 0 3 385.432 0.416 20 0 GCADHN C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821622072 599607093 /nfs/dbraw/zinc/60/70/93/599607093.db2.gz RBIXJOVWJZGVBH-VIFPVBQESA-N 0 3 397.361 0.892 20 0 GCADHN C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821622072 599607094 /nfs/dbraw/zinc/60/70/94/599607094.db2.gz RBIXJOVWJZGVBH-VIFPVBQESA-N 0 3 397.361 0.892 20 0 GCADHN C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821622072 599607096 /nfs/dbraw/zinc/60/70/96/599607096.db2.gz RBIXJOVWJZGVBH-VIFPVBQESA-N 0 3 397.361 0.892 20 0 GCADHN C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821622072 599607098 /nfs/dbraw/zinc/60/70/98/599607098.db2.gz RBIXJOVWJZGVBH-VIFPVBQESA-N 0 3 397.361 0.892 20 0 GCADHN CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821160285 599617604 /nfs/dbraw/zinc/61/76/04/599617604.db2.gz ITPRMHPHRJGWPQ-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821160285 599617606 /nfs/dbraw/zinc/61/76/06/599617606.db2.gz ITPRMHPHRJGWPQ-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821160285 599617607 /nfs/dbraw/zinc/61/76/07/599617607.db2.gz ITPRMHPHRJGWPQ-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821160285 599617609 /nfs/dbraw/zinc/61/76/09/599617609.db2.gz ITPRMHPHRJGWPQ-LLVKDONJSA-N 0 3 375.408 0.745 20 0 GCADHN CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821180389 599617630 /nfs/dbraw/zinc/61/76/30/599617630.db2.gz CLEPPJZIYJFQLZ-ZDUSSCGKSA-N 0 3 387.444 0.757 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964080 599643023 /nfs/dbraw/zinc/64/30/23/599643023.db2.gz CMVJNLMNIUQJMI-QGZVFWFLSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@@H]1CN1CCOCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964080 599643024 /nfs/dbraw/zinc/64/30/24/599643024.db2.gz CMVJNLMNIUQJMI-QGZVFWFLSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964080 599643025 /nfs/dbraw/zinc/64/30/25/599643025.db2.gz CMVJNLMNIUQJMI-QGZVFWFLSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@@H]1CN1CCOCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964080 599643026 /nfs/dbraw/zinc/64/30/26/599643026.db2.gz CMVJNLMNIUQJMI-QGZVFWFLSA-N 0 3 385.472 0.992 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1-c1nnn[n-]1 ZINC000820155037 607437412 /nfs/dbraw/zinc/43/74/12/607437412.db2.gz ICKDHZPIPSUAET-GFCCVEGCSA-N 0 3 387.444 0.660 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1-c1nnn[n-]1 ZINC000820155037 607437414 /nfs/dbraw/zinc/43/74/14/607437414.db2.gz ICKDHZPIPSUAET-GFCCVEGCSA-N 0 3 387.444 0.660 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1-c1nn[n-]n1 ZINC000820155037 607437415 /nfs/dbraw/zinc/43/74/15/607437415.db2.gz ICKDHZPIPSUAET-GFCCVEGCSA-N 0 3 387.444 0.660 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1-c1nn[n-]n1 ZINC000820155037 607437417 /nfs/dbraw/zinc/43/74/17/607437417.db2.gz ICKDHZPIPSUAET-GFCCVEGCSA-N 0 3 387.444 0.660 20 0 GCADHN Cc1nc(CN(C)[C@@H]2CC[N@H+](C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)no1 ZINC000822439805 607445217 /nfs/dbraw/zinc/44/52/17/607445217.db2.gz DGFVWTIXJIIZFK-QWHCGFSZSA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)no1 ZINC000822439805 607445218 /nfs/dbraw/zinc/44/52/18/607445218.db2.gz DGFVWTIXJIIZFK-QWHCGFSZSA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@@H]2CC[N@H+](C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)no1 ZINC000822439805 607445220 /nfs/dbraw/zinc/44/52/20/607445220.db2.gz DGFVWTIXJIIZFK-QWHCGFSZSA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)no1 ZINC000822439805 607445222 /nfs/dbraw/zinc/44/52/22/607445222.db2.gz DGFVWTIXJIIZFK-QWHCGFSZSA-N 0 3 399.463 0.003 20 0 GCADHN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000827380711 601103307 /nfs/dbraw/zinc/10/33/07/601103307.db2.gz VSRYZUZUBXYAJI-HNNXBMFYSA-N 0 3 375.473 0.454 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000826182423 607515916 /nfs/dbraw/zinc/51/59/16/607515916.db2.gz JKHHBQKCHSNZOB-UHFFFAOYSA-N 0 3 386.456 0.946 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825848490 607524651 /nfs/dbraw/zinc/52/46/51/607524651.db2.gz DVIUWXLIVKALJM-KZNAEPCWSA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825848490 607524653 /nfs/dbraw/zinc/52/46/53/607524653.db2.gz DVIUWXLIVKALJM-KZNAEPCWSA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825848258 607615311 /nfs/dbraw/zinc/61/53/11/607615311.db2.gz BBIBFJNKVNVQLU-DJIMGWMZSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825848261 607615316 /nfs/dbraw/zinc/61/53/16/607615316.db2.gz BBIBFJNKVNVQLU-PVAVHDDUSA-N 0 3 386.456 0.956 20 0 GCADHN COc1ccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)cc1-c1nnn[n-]1 ZINC000826199873 607628138 /nfs/dbraw/zinc/62/81/38/607628138.db2.gz PIZNYWFVBULTMB-UHFFFAOYSA-N 0 3 375.433 0.131 20 0 GCADHN COc1ccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)cc1-c1nn[n-]n1 ZINC000826199873 607628139 /nfs/dbraw/zinc/62/81/39/607628139.db2.gz PIZNYWFVBULTMB-UHFFFAOYSA-N 0 3 375.433 0.131 20 0 GCADHN O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000826486999 607633960 /nfs/dbraw/zinc/63/39/60/607633960.db2.gz ZPDBTHHJQZVNSF-INIZCTEOSA-N 0 3 394.501 0.523 20 0 GCADHN O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000826486999 607633961 /nfs/dbraw/zinc/63/39/61/607633961.db2.gz ZPDBTHHJQZVNSF-INIZCTEOSA-N 0 3 394.501 0.523 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CCc1nnc(-c3ccccc3)o1)C2 ZINC000826518957 607703910 /nfs/dbraw/zinc/70/39/10/607703910.db2.gz DTRQKRKHWHPGRB-LBPRGKRZSA-N 0 3 392.427 0.987 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CCc1nnc(-c3ccccc3)o1)C2 ZINC000826518957 607703912 /nfs/dbraw/zinc/70/39/12/607703912.db2.gz DTRQKRKHWHPGRB-LBPRGKRZSA-N 0 3 392.427 0.987 20 0 GCADHN O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823206148 606059075 /nfs/dbraw/zinc/05/90/75/606059075.db2.gz LWOFZNQDZONKOB-CQSZACIVSA-N 0 3 385.476 0.801 20 0 GCADHN O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823206148 606059080 /nfs/dbraw/zinc/05/90/80/606059080.db2.gz LWOFZNQDZONKOB-CQSZACIVSA-N 0 3 385.476 0.801 20 0 GCADHN CC(C)(O)C[N@H+](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000819991709 606080797 /nfs/dbraw/zinc/08/07/97/606080797.db2.gz LAHAQKDHPDVVPO-UHFFFAOYSA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)(O)C[N@@H+](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000819991709 606080802 /nfs/dbraw/zinc/08/08/02/606080802.db2.gz LAHAQKDHPDVVPO-UHFFFAOYSA-N 0 3 388.472 0.735 20 0 GCADHN C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821596317 606118371 /nfs/dbraw/zinc/11/83/71/606118371.db2.gz GTZDTXZRCXWVPQ-AWEZNQCLSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821596317 606118372 /nfs/dbraw/zinc/11/83/72/606118372.db2.gz GTZDTXZRCXWVPQ-AWEZNQCLSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821596317 606118374 /nfs/dbraw/zinc/11/83/74/606118374.db2.gz GTZDTXZRCXWVPQ-AWEZNQCLSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821596317 606118376 /nfs/dbraw/zinc/11/83/76/606118376.db2.gz GTZDTXZRCXWVPQ-AWEZNQCLSA-N 0 3 383.456 0.996 20 0 GCADHN CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000820032195 606151512 /nfs/dbraw/zinc/15/15/12/606151512.db2.gz LVQYOMOAJYRZBB-INIZCTEOSA-N 0 3 388.472 0.843 20 0 GCADHN CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000820032195 606151514 /nfs/dbraw/zinc/15/15/14/606151514.db2.gz LVQYOMOAJYRZBB-INIZCTEOSA-N 0 3 388.472 0.843 20 0 GCADHN CC(C)OCCN1CCC([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000820145976 606165767 /nfs/dbraw/zinc/16/57/67/606165767.db2.gz HOOJDFVYRFHVEI-AWEZNQCLSA-N 0 3 389.508 0.584 20 0 GCADHN CC(C)OCCN1CCC([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000820145976 606165768 /nfs/dbraw/zinc/16/57/68/606165768.db2.gz HOOJDFVYRFHVEI-AWEZNQCLSA-N 0 3 389.508 0.584 20 0 GCADHN COC1CC[NH+](CCNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000821679640 606200569 /nfs/dbraw/zinc/20/05/69/606200569.db2.gz GEKVSERWZKRFIJ-UHFFFAOYSA-N 0 3 381.462 0.037 20 0 GCADHN COC1CC[NH+](CCNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000821679640 606200571 /nfs/dbraw/zinc/20/05/71/606200571.db2.gz GEKVSERWZKRFIJ-UHFFFAOYSA-N 0 3 381.462 0.037 20 0 GCADHN CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1=O ZINC000821620873 606224975 /nfs/dbraw/zinc/22/49/75/606224975.db2.gz YSAWWHSZNWCJPU-KPZWWZAWSA-N 0 3 395.427 0.325 20 0 GCADHN CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1=O ZINC000821620873 606224977 /nfs/dbraw/zinc/22/49/77/606224977.db2.gz YSAWWHSZNWCJPU-KPZWWZAWSA-N 0 3 395.427 0.325 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1-c1nnn[n-]1 ZINC000821808423 606225371 /nfs/dbraw/zinc/22/53/71/606225371.db2.gz GKWJBACLUMMQTO-XIKOKIGWSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1-c1nn[n-]n1 ZINC000821808423 606225373 /nfs/dbraw/zinc/22/53/73/606225373.db2.gz GKWJBACLUMMQTO-XIKOKIGWSA-N 0 3 385.428 0.685 20 0 GCADHN CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1=O ZINC000821620876 606225433 /nfs/dbraw/zinc/22/54/33/606225433.db2.gz YSAWWHSZNWCJPU-XIKOKIGWSA-N 0 3 395.427 0.325 20 0 GCADHN CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1=O ZINC000821620876 606225434 /nfs/dbraw/zinc/22/54/34/606225434.db2.gz YSAWWHSZNWCJPU-XIKOKIGWSA-N 0 3 395.427 0.325 20 0 GCADHN C[NH+](C)[C@]1(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CCSC1 ZINC000821581059 606241510 /nfs/dbraw/zinc/24/15/10/606241510.db2.gz BLWFQVNQNYQWCW-AWEZNQCLSA-N 0 3 383.503 0.363 20 0 GCADHN C[NH+](C)[C@]1(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CCSC1 ZINC000821581059 606241511 /nfs/dbraw/zinc/24/15/11/606241511.db2.gz BLWFQVNQNYQWCW-AWEZNQCLSA-N 0 3 383.503 0.363 20 0 GCADHN C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821587383 606271295 /nfs/dbraw/zinc/27/12/95/606271295.db2.gz UVYMKPPJSDJPBX-UHFFFAOYSA-N 0 3 382.428 0.416 20 0 GCADHN C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821587383 606271297 /nfs/dbraw/zinc/27/12/97/606271297.db2.gz UVYMKPPJSDJPBX-UHFFFAOYSA-N 0 3 382.428 0.416 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000822636502 606294746 /nfs/dbraw/zinc/29/47/46/606294746.db2.gz GMFDTFJCPFHXJS-LJQANCHMSA-N 0 3 381.440 0.572 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000822636502 606294748 /nfs/dbraw/zinc/29/47/48/606294748.db2.gz GMFDTFJCPFHXJS-LJQANCHMSA-N 0 3 381.440 0.572 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480296 606297652 /nfs/dbraw/zinc/29/76/52/606297652.db2.gz IOTPKTDHEBJBSZ-AWEZNQCLSA-N 0 3 388.472 0.797 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)CC2 ZINC000821509280 606306502 /nfs/dbraw/zinc/30/65/02/606306502.db2.gz FGLOATCETRPYDC-ZYHUDNBSSA-N 0 3 399.484 0.792 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)CC2 ZINC000821509280 606306504 /nfs/dbraw/zinc/30/65/04/606306504.db2.gz FGLOATCETRPYDC-ZYHUDNBSSA-N 0 3 399.484 0.792 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000823689737 606310222 /nfs/dbraw/zinc/31/02/22/606310222.db2.gz IXZMSFFRKQLLJE-QAPCUYQASA-N 0 3 389.456 0.876 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000823689735 606310298 /nfs/dbraw/zinc/31/02/98/606310298.db2.gz IXZMSFFRKQLLJE-MAUKXSAKSA-N 0 3 389.456 0.876 20 0 GCADHN C[NH+](C)[C@@]1(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)CCSC1 ZINC000821581540 606329770 /nfs/dbraw/zinc/32/97/70/606329770.db2.gz ODWMBEVMTJGTOE-MRXNPFEDSA-N 0 3 391.505 0.410 20 0 GCADHN C[NH+](C)[C@@]1(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)CCSC1 ZINC000821581540 606329771 /nfs/dbraw/zinc/32/97/71/606329771.db2.gz ODWMBEVMTJGTOE-MRXNPFEDSA-N 0 3 391.505 0.410 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000820753084 606333482 /nfs/dbraw/zinc/33/34/82/606333482.db2.gz WFADAPLRBPTBCS-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000820753084 606333484 /nfs/dbraw/zinc/33/34/84/606333484.db2.gz WFADAPLRBPTBCS-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000820753084 606333486 /nfs/dbraw/zinc/33/34/86/606333486.db2.gz WFADAPLRBPTBCS-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000820753084 606333488 /nfs/dbraw/zinc/33/34/88/606333488.db2.gz WFADAPLRBPTBCS-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000820752886 606333922 /nfs/dbraw/zinc/33/39/22/606333922.db2.gz TXGVDBZUXCWIOH-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000820752886 606333923 /nfs/dbraw/zinc/33/39/23/606333923.db2.gz TXGVDBZUXCWIOH-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820752886 606333925 /nfs/dbraw/zinc/33/39/25/606333925.db2.gz TXGVDBZUXCWIOH-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820752886 606333927 /nfs/dbraw/zinc/33/39/27/606333927.db2.gz TXGVDBZUXCWIOH-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822860386 606347690 /nfs/dbraw/zinc/34/76/90/606347690.db2.gz TUZDZCYJARGMFD-LLVKDONJSA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822860386 606347693 /nfs/dbraw/zinc/34/76/93/606347693.db2.gz TUZDZCYJARGMFD-LLVKDONJSA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822860386 606347695 /nfs/dbraw/zinc/34/76/95/606347695.db2.gz TUZDZCYJARGMFD-LLVKDONJSA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822860386 606347697 /nfs/dbraw/zinc/34/76/97/606347697.db2.gz TUZDZCYJARGMFD-LLVKDONJSA-N 0 3 390.423 0.715 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820128036 606397506 /nfs/dbraw/zinc/39/75/06/606397506.db2.gz ORCDOCGLPXLPAJ-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820128036 606397507 /nfs/dbraw/zinc/39/75/07/606397507.db2.gz ORCDOCGLPXLPAJ-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820128036 606397509 /nfs/dbraw/zinc/39/75/09/606397509.db2.gz ORCDOCGLPXLPAJ-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820128036 606397512 /nfs/dbraw/zinc/39/75/12/606397512.db2.gz ORCDOCGLPXLPAJ-LLVKDONJSA-N 0 3 375.408 0.791 20 0 GCADHN CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821180461 606404284 /nfs/dbraw/zinc/40/42/84/606404284.db2.gz CTRQILQVNUDKGO-LBPRGKRZSA-N 0 3 375.408 0.887 20 0 GCADHN CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821180461 606404285 /nfs/dbraw/zinc/40/42/85/606404285.db2.gz CTRQILQVNUDKGO-LBPRGKRZSA-N 0 3 375.408 0.887 20 0 GCADHN C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821583114 606404523 /nfs/dbraw/zinc/40/45/23/606404523.db2.gz IXNUNISCCDPALV-UHFFFAOYSA-N 0 3 379.490 0.171 20 0 GCADHN C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821583114 606404525 /nfs/dbraw/zinc/40/45/25/606404525.db2.gz IXNUNISCCDPALV-UHFFFAOYSA-N 0 3 379.490 0.171 20 0 GCADHN C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000820524845 606548587 /nfs/dbraw/zinc/54/85/87/606548587.db2.gz AXYISGMKMVIFEU-INIZCTEOSA-N 0 3 399.499 0.874 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000821581051 606603619 /nfs/dbraw/zinc/60/36/19/606603619.db2.gz BGUURWNNUVMLAJ-JKSUJKDBSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821581051 606603620 /nfs/dbraw/zinc/60/36/20/606603620.db2.gz BGUURWNNUVMLAJ-JKSUJKDBSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000821581050 606603968 /nfs/dbraw/zinc/60/39/68/606603968.db2.gz BGUURWNNUVMLAJ-HZPDHXFCSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821581050 606603970 /nfs/dbraw/zinc/60/39/70/606603970.db2.gz BGUURWNNUVMLAJ-HZPDHXFCSA-N 0 3 399.503 0.966 20 0 GCADHN COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000821756746 606615131 /nfs/dbraw/zinc/61/51/31/606615131.db2.gz RIRRGCUGLZBCTJ-CHWSQXEVSA-N 0 3 387.444 0.803 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000821756746 606615132 /nfs/dbraw/zinc/61/51/32/606615132.db2.gz RIRRGCUGLZBCTJ-CHWSQXEVSA-N 0 3 387.444 0.803 20 0 GCADHN O=C(CCN1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000822969589 606619387 /nfs/dbraw/zinc/61/93/87/606619387.db2.gz SAMSAFSJTUJQRW-ZDUSSCGKSA-N 0 3 391.501 0.911 20 0 GCADHN O=C(CCN1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1sccc1-c1nn[n-]n1 ZINC000822969589 606619388 /nfs/dbraw/zinc/61/93/88/606619388.db2.gz SAMSAFSJTUJQRW-ZDUSSCGKSA-N 0 3 391.501 0.911 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000821649698 606623939 /nfs/dbraw/zinc/62/39/39/606623939.db2.gz BFYBLUSLXKQLOV-PBHICJAKSA-N 0 3 386.456 0.735 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[N@@H+]1C1CC1 ZINC000820658552 606624657 /nfs/dbraw/zinc/62/46/57/606624657.db2.gz TWODGSBZFIAKKU-WCQYABFASA-N 0 3 393.455 0.990 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[N@H+]1C1CC1 ZINC000820658552 606624659 /nfs/dbraw/zinc/62/46/59/606624659.db2.gz TWODGSBZFIAKKU-WCQYABFASA-N 0 3 393.455 0.990 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821351607 606634484 /nfs/dbraw/zinc/63/44/84/606634484.db2.gz SYBRVHWPVYQATG-AWEZNQCLSA-N 0 3 382.490 0.810 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821351607 606634485 /nfs/dbraw/zinc/63/44/85/606634485.db2.gz SYBRVHWPVYQATG-AWEZNQCLSA-N 0 3 382.490 0.810 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000821350899 606634674 /nfs/dbraw/zinc/63/46/74/606634674.db2.gz GEWCYTDZCGHWGO-CQSZACIVSA-N 0 3 382.490 0.810 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821350899 606634675 /nfs/dbraw/zinc/63/46/75/606634675.db2.gz GEWCYTDZCGHWGO-CQSZACIVSA-N 0 3 382.490 0.810 20 0 GCADHN C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857814 606699279 /nfs/dbraw/zinc/69/92/79/606699279.db2.gz VPJDWNUTCSTOOW-SSDOTTSWSA-N 0 3 375.359 0.103 20 0 GCADHN C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857814 606699280 /nfs/dbraw/zinc/69/92/80/606699280.db2.gz VPJDWNUTCSTOOW-SSDOTTSWSA-N 0 3 375.359 0.103 20 0 GCADHN C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819856372 606699367 /nfs/dbraw/zinc/69/93/67/606699367.db2.gz JMROAMWJNXNAQV-LLVKDONJSA-N 0 3 375.481 0.874 20 0 GCADHN C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819856372 606699368 /nfs/dbraw/zinc/69/93/68/606699368.db2.gz JMROAMWJNXNAQV-LLVKDONJSA-N 0 3 375.481 0.874 20 0 GCADHN C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857089 606701417 /nfs/dbraw/zinc/70/14/17/606701417.db2.gz OWPCPNIFASOWTO-VIFPVBQESA-N 0 3 392.468 0.049 20 0 GCADHN C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857089 606701418 /nfs/dbraw/zinc/70/14/18/606701418.db2.gz OWPCPNIFASOWTO-VIFPVBQESA-N 0 3 392.468 0.049 20 0 GCADHN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820649889 606701795 /nfs/dbraw/zinc/70/17/95/606701795.db2.gz PCHFHYFVKYVNGZ-FRRDWIJNSA-N 0 3 389.508 0.929 20 0 GCADHN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820649889 606701796 /nfs/dbraw/zinc/70/17/96/606701796.db2.gz PCHFHYFVKYVNGZ-FRRDWIJNSA-N 0 3 389.508 0.929 20 0 GCADHN Fc1cccnc1N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000822796269 606734233 /nfs/dbraw/zinc/73/42/33/606734233.db2.gz ONBMVKFKQYSPFJ-NEPJUHHUSA-N 0 3 384.423 0.508 20 0 GCADHN Fc1cccnc1N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000822796269 606734235 /nfs/dbraw/zinc/73/42/35/606734235.db2.gz ONBMVKFKQYSPFJ-NEPJUHHUSA-N 0 3 384.423 0.508 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821688893 606734867 /nfs/dbraw/zinc/73/48/67/606734867.db2.gz BEAOAQOBNGNOSF-UHFFFAOYSA-N 0 3 395.851 0.543 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821688893 606734869 /nfs/dbraw/zinc/73/48/69/606734869.db2.gz BEAOAQOBNGNOSF-UHFFFAOYSA-N 0 3 395.851 0.543 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821688893 606734871 /nfs/dbraw/zinc/73/48/71/606734871.db2.gz BEAOAQOBNGNOSF-UHFFFAOYSA-N 0 3 395.851 0.543 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821688893 606734872 /nfs/dbraw/zinc/73/48/72/606734872.db2.gz BEAOAQOBNGNOSF-UHFFFAOYSA-N 0 3 395.851 0.543 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820131241 606762226 /nfs/dbraw/zinc/76/22/26/606762226.db2.gz AWMVCWKOFVCBSU-UHFFFAOYSA-N 0 3 387.444 0.157 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820131241 606762228 /nfs/dbraw/zinc/76/22/28/606762228.db2.gz AWMVCWKOFVCBSU-UHFFFAOYSA-N 0 3 387.444 0.157 20 0 GCADHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820093053 606788687 /nfs/dbraw/zinc/78/86/87/606788687.db2.gz SFLBQOYVSZJJRA-CQSZACIVSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820093053 606788690 /nfs/dbraw/zinc/78/86/90/606788690.db2.gz SFLBQOYVSZJJRA-CQSZACIVSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820093053 606788692 /nfs/dbraw/zinc/78/86/92/606788692.db2.gz SFLBQOYVSZJJRA-CQSZACIVSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820093053 606788694 /nfs/dbraw/zinc/78/86/94/606788694.db2.gz SFLBQOYVSZJJRA-CQSZACIVSA-N 0 3 387.492 0.951 20 0 GCADHN O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000822918049 606798681 /nfs/dbraw/zinc/79/86/81/606798681.db2.gz YKPIJWFNHOZCQW-GXTWGEPZSA-N 0 3 385.476 0.486 20 0 GCADHN O=C(C1CCCC1)N1CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000822918049 606798683 /nfs/dbraw/zinc/79/86/83/606798683.db2.gz YKPIJWFNHOZCQW-GXTWGEPZSA-N 0 3 385.476 0.486 20 0 GCADHN C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000821587466 606818629 /nfs/dbraw/zinc/81/86/29/606818629.db2.gz YVRUSDLBCICZAB-UHFFFAOYSA-N 0 3 387.379 0.341 20 0 GCADHN C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000821587466 606818631 /nfs/dbraw/zinc/81/86/31/606818631.db2.gz YVRUSDLBCICZAB-UHFFFAOYSA-N 0 3 387.379 0.341 20 0 GCADHN C[C@H]1CN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@@H]1[NH+](C)C ZINC000820736229 606832917 /nfs/dbraw/zinc/83/29/17/606832917.db2.gz YFQXGCHYLMCWDK-BBRMVZONSA-N 0 3 399.503 0.822 20 0 GCADHN C[C@H]1CN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C[C@@H]1[NH+](C)C ZINC000820736229 606832919 /nfs/dbraw/zinc/83/29/19/606832919.db2.gz YFQXGCHYLMCWDK-BBRMVZONSA-N 0 3 399.503 0.822 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C[C@@H]1[NH+](C)C ZINC000820734222 606837220 /nfs/dbraw/zinc/83/72/20/606837220.db2.gz LUSDKPJWSVWGQF-RNCFNFMXSA-N 0 3 377.836 0.867 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C[C@@H]1[NH+](C)C ZINC000820734222 606837221 /nfs/dbraw/zinc/83/72/21/606837221.db2.gz LUSDKPJWSVWGQF-RNCFNFMXSA-N 0 3 377.836 0.867 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000820736130 606837389 /nfs/dbraw/zinc/83/73/89/606837389.db2.gz XTLRQEVPPQKERV-RNCFNFMXSA-N 0 3 377.836 0.867 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000821400573 606837623 /nfs/dbraw/zinc/83/76/23/606837623.db2.gz LPNSIFLIBHLTPF-SMDDNHRTSA-N 0 3 387.444 0.612 20 0 GCADHN O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCOCC1 ZINC000822917072 606883872 /nfs/dbraw/zinc/88/38/72/606883872.db2.gz MUQLTDQVXDLGFE-DLBZAZTESA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCOCC1 ZINC000822917072 606883873 /nfs/dbraw/zinc/88/38/73/606883873.db2.gz MUQLTDQVXDLGFE-DLBZAZTESA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCOCC1 ZINC000822917072 606883874 /nfs/dbraw/zinc/88/38/74/606883874.db2.gz MUQLTDQVXDLGFE-DLBZAZTESA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCOCC1 ZINC000822917072 606883875 /nfs/dbraw/zinc/88/38/75/606883875.db2.gz MUQLTDQVXDLGFE-DLBZAZTESA-N 0 3 386.456 0.471 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821691536 606887910 /nfs/dbraw/zinc/88/79/10/606887910.db2.gz YAYVKKXUZXRMOL-IAOVAPTHSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821691536 606887913 /nfs/dbraw/zinc/88/79/13/606887913.db2.gz YAYVKKXUZXRMOL-IAOVAPTHSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691536 606887915 /nfs/dbraw/zinc/88/79/15/606887915.db2.gz YAYVKKXUZXRMOL-IAOVAPTHSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691536 606887917 /nfs/dbraw/zinc/88/79/17/606887917.db2.gz YAYVKKXUZXRMOL-IAOVAPTHSA-N 0 3 388.472 0.763 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1)C2 ZINC000823821379 606921710 /nfs/dbraw/zinc/92/17/10/606921710.db2.gz TWJRTANYLQVQKY-CWRNSKLLSA-N 0 3 387.492 0.338 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@H]1CCCC[C@H]1N1CCOCC1)C2 ZINC000823821379 606921711 /nfs/dbraw/zinc/92/17/11/606921711.db2.gz TWJRTANYLQVQKY-CWRNSKLLSA-N 0 3 387.492 0.338 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@H]2C)CC1 ZINC000819797012 606975259 /nfs/dbraw/zinc/97/52/59/606975259.db2.gz RNUKBWQVDXCHCQ-ACJLOTCBSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@H]2C)CC1 ZINC000819797012 606975261 /nfs/dbraw/zinc/97/52/61/606975261.db2.gz RNUKBWQVDXCHCQ-ACJLOTCBSA-N 0 3 387.463 0.990 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821623721 607035335 /nfs/dbraw/zinc/03/53/35/607035335.db2.gz REBYKMREVATMEV-SECBINFHSA-N 0 3 382.881 0.719 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821623721 607035337 /nfs/dbraw/zinc/03/53/37/607035337.db2.gz REBYKMREVATMEV-SECBINFHSA-N 0 3 382.881 0.719 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC[C@H]21 ZINC000821625813 607159912 /nfs/dbraw/zinc/15/99/12/607159912.db2.gz WEDUYELSPQIBAL-HZPDHXFCSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC[C@H]21 ZINC000821625813 607159913 /nfs/dbraw/zinc/15/99/13/607159913.db2.gz WEDUYELSPQIBAL-HZPDHXFCSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC[C@H]21 ZINC000821625813 607159914 /nfs/dbraw/zinc/15/99/14/607159914.db2.gz WEDUYELSPQIBAL-HZPDHXFCSA-N 0 3 383.456 0.539 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC[C@H]21 ZINC000821625813 607159915 /nfs/dbraw/zinc/15/99/15/607159915.db2.gz WEDUYELSPQIBAL-HZPDHXFCSA-N 0 3 383.456 0.539 20 0 GCADHN CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000824207149 607776569 /nfs/dbraw/zinc/77/65/69/607776569.db2.gz QLCFEDXMKPYHSP-YJBOKZPZSA-N 0 3 376.461 0.699 20 0 GCADHN CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000824207149 607776570 /nfs/dbraw/zinc/77/65/70/607776570.db2.gz QLCFEDXMKPYHSP-YJBOKZPZSA-N 0 3 376.461 0.699 20 0 GCADHN C[NH+]1CCC([C@H]2CCN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)C2)CC1 ZINC000826023054 607903897 /nfs/dbraw/zinc/90/38/97/607903897.db2.gz WZCYMVILSFGLID-ZDUSSCGKSA-N 0 3 391.501 0.682 20 0 GCADHN C[NH+]1CCC([C@H]2CCN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)C2)CC1 ZINC000826023054 607903898 /nfs/dbraw/zinc/90/38/98/607903898.db2.gz WZCYMVILSFGLID-ZDUSSCGKSA-N 0 3 391.501 0.682 20 0 GCADHN CC[C@@H]1CN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC[N@@H+]1C[C@@H](C)O ZINC000825211367 607922482 /nfs/dbraw/zinc/92/24/82/607922482.db2.gz MKHRNCRAWDAWQD-UKRRQHHQSA-N 0 3 388.472 0.930 20 0 GCADHN CC[C@@H]1CN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC[N@H+]1C[C@@H](C)O ZINC000825211367 607922483 /nfs/dbraw/zinc/92/24/83/607922483.db2.gz MKHRNCRAWDAWQD-UKRRQHHQSA-N 0 3 388.472 0.930 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000824745384 607999141 /nfs/dbraw/zinc/99/91/41/607999141.db2.gz RKZMBGFHEJIFMQ-AWEZNQCLSA-N 0 3 388.472 0.939 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000824745384 607999142 /nfs/dbraw/zinc/99/91/42/607999142.db2.gz RKZMBGFHEJIFMQ-AWEZNQCLSA-N 0 3 388.472 0.939 20 0 GCADHN C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000824745384 607999143 /nfs/dbraw/zinc/99/91/43/607999143.db2.gz RKZMBGFHEJIFMQ-AWEZNQCLSA-N 0 3 388.472 0.939 20 0 GCADHN C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000824745384 607999144 /nfs/dbraw/zinc/99/91/44/607999144.db2.gz RKZMBGFHEJIFMQ-AWEZNQCLSA-N 0 3 388.472 0.939 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](Cc2ccccc2)N(C)C)c1-c1nnn[n-]1 ZINC000826073263 608020348 /nfs/dbraw/zinc/02/03/48/608020348.db2.gz LXYWWSFUURROMF-HNNXBMFYSA-N 0 3 397.487 0.853 20 0 GCADHN O=C(CC[N@@H+]1CC[C@H](N2CCCC2=O)C1)Nc1sccc1-c1nnn[n-]1 ZINC000826407674 608045460 /nfs/dbraw/zinc/04/54/60/608045460.db2.gz WNELVIXHDIFHIQ-NSHDSACASA-N 0 3 375.458 0.954 20 0 GCADHN O=C(CC[N@H+]1CC[C@H](N2CCCC2=O)C1)Nc1sccc1-c1nnn[n-]1 ZINC000826407674 608045461 /nfs/dbraw/zinc/04/54/61/608045461.db2.gz WNELVIXHDIFHIQ-NSHDSACASA-N 0 3 375.458 0.954 20 0 GCADHN CC[NH+]1CCC(NC(=O)CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000825454093 608067303 /nfs/dbraw/zinc/06/73/03/608067303.db2.gz YYICRGIFWXEJPL-GOSISDBHSA-N 0 3 399.499 0.841 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nnn[n-]2)cn1 ZINC000826432040 608076027 /nfs/dbraw/zinc/07/60/27/608076027.db2.gz QGUAKIFVUMXSSB-SJORKVTESA-N 0 3 393.451 0.875 20 0 GCADHN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nnn[n-]2)cn1 ZINC000826432040 608076028 /nfs/dbraw/zinc/07/60/28/608076028.db2.gz QGUAKIFVUMXSSB-SJORKVTESA-N 0 3 393.451 0.875 20 0 GCADHN CS[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000826226782 608088382 /nfs/dbraw/zinc/08/83/82/608088382.db2.gz GIPMKRQEUFMDTR-RYUDHWBXSA-N 0 3 379.490 0.992 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000826168636 608366581 /nfs/dbraw/zinc/36/65/81/608366581.db2.gz UCPPJMUUEPPWLC-KBXCAEBGSA-N 0 3 399.499 0.860 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000826168636 608366583 /nfs/dbraw/zinc/36/65/83/608366583.db2.gz UCPPJMUUEPPWLC-KBXCAEBGSA-N 0 3 399.499 0.860 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000826394441 608370697 /nfs/dbraw/zinc/37/06/97/608370697.db2.gz KEUIHZAYEFDXHC-GFCCVEGCSA-N 0 3 377.474 0.579 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000826394441 608370699 /nfs/dbraw/zinc/37/06/99/608370699.db2.gz KEUIHZAYEFDXHC-GFCCVEGCSA-N 0 3 377.474 0.579 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3F)C[C@H]2C)CC1 ZINC000823982252 608396783 /nfs/dbraw/zinc/39/67/83/608396783.db2.gz XVSJQEKRENOJLH-DYVFJYSZSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3F)C[C@H]2C)CC1 ZINC000823982252 608396784 /nfs/dbraw/zinc/39/67/84/608396784.db2.gz XVSJQEKRENOJLH-DYVFJYSZSA-N 0 3 387.463 0.990 20 0 GCADHN c1nc2ccc(-c3nnn[n-]3)cn2c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000826519129 608505449 /nfs/dbraw/zinc/50/54/49/608505449.db2.gz LFUZDDVCBDXDBT-UHFFFAOYSA-N 0 3 381.488 0.728 20 0 GCADHN c1nc2ccc(-c3nn[n-]n3)cn2c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000826519129 608505450 /nfs/dbraw/zinc/50/54/50/608505450.db2.gz LFUZDDVCBDXDBT-UHFFFAOYSA-N 0 3 381.488 0.728 20 0 GCADHN O=S1(=O)CCC(O)(C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000826497167 608515134 /nfs/dbraw/zinc/51/51/34/608515134.db2.gz WSEJOPSGJKQKRU-HNNXBMFYSA-N 0 3 377.470 0.773 20 0 GCADHN O=S1(=O)CCC(O)(C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000826497167 608515135 /nfs/dbraw/zinc/51/51/35/608515135.db2.gz WSEJOPSGJKQKRU-HNNXBMFYSA-N 0 3 377.470 0.773 20 0 GCADHN CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000825517596 608847097 /nfs/dbraw/zinc/84/70/97/608847097.db2.gz HBVRTHAQZFEXQQ-UHFFFAOYSA-N 0 3 378.458 0.820 20 0 GCADHN O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826433893 609224789 /nfs/dbraw/zinc/22/47/89/609224789.db2.gz VAUNZWXQQVJWJW-INIZCTEOSA-N 0 3 386.456 0.661 20 0 GCADHN O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826433893 609224790 /nfs/dbraw/zinc/22/47/90/609224790.db2.gz VAUNZWXQQVJWJW-INIZCTEOSA-N 0 3 386.456 0.661 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825412461 609242651 /nfs/dbraw/zinc/24/26/51/609242651.db2.gz PKPFDCIZJOVHOY-IRXDYDNUSA-N 0 3 388.472 0.859 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825412461 609242652 /nfs/dbraw/zinc/24/26/52/609242652.db2.gz PKPFDCIZJOVHOY-IRXDYDNUSA-N 0 3 388.472 0.859 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825850838 609253643 /nfs/dbraw/zinc/25/36/43/609253643.db2.gz STNAHDNUPOHMFQ-NCOADZHNSA-N 0 3 386.456 0.610 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825850838 609253645 /nfs/dbraw/zinc/25/36/45/609253645.db2.gz STNAHDNUPOHMFQ-NCOADZHNSA-N 0 3 386.456 0.610 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000826357845 609377130 /nfs/dbraw/zinc/37/71/30/609377130.db2.gz SVXQOKROHOOBKU-MRXNPFEDSA-N 0 3 381.440 0.702 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000826357845 609377131 /nfs/dbraw/zinc/37/71/31/609377131.db2.gz SVXQOKROHOOBKU-MRXNPFEDSA-N 0 3 381.440 0.702 20 0 GCADHN Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000826356716 609406556 /nfs/dbraw/zinc/40/65/56/609406556.db2.gz CKZQSUXFKWPIMI-AWEZNQCLSA-N 0 3 397.443 0.489 20 0 GCADHN Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000826356716 609406557 /nfs/dbraw/zinc/40/65/57/609406557.db2.gz CKZQSUXFKWPIMI-AWEZNQCLSA-N 0 3 397.443 0.489 20 0 GCADHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000826329282 609415185 /nfs/dbraw/zinc/41/51/85/609415185.db2.gz XCDGGAGWRNHNMD-GOEBONIOSA-N 0 3 393.455 0.867 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826060572 609416722 /nfs/dbraw/zinc/41/67/22/609416722.db2.gz OXMIHLNHRQWUGG-PMPSAXMXSA-N 0 3 383.456 0.866 20 0 GCADHN CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nccc(C)c3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000823980441 609576593 /nfs/dbraw/zinc/57/65/93/609576593.db2.gz CSALALGCOFIGQD-HOCLYGCPSA-N 0 3 384.488 0.949 20 0 GCADHN CC(=O)N1CCC[N@H+]([C@H]2CN(c3nccc(C)c3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000823980441 609576595 /nfs/dbraw/zinc/57/65/95/609576595.db2.gz CSALALGCOFIGQD-HOCLYGCPSA-N 0 3 384.488 0.949 20 0 GCADHN CCOC(=O)c1ncc(Br)c(NCCCN2CCN(C)CC2)n1 ZINC000891592166 638504519 /nfs/dbraw/zinc/50/45/19/638504519.db2.gz OFCRIRYUUHRYCW-UHFFFAOYSA-N 0 3 386.294 0.887 20 0 GCADHN CCOC(=O)C1(S(=O)(=O)NC[C@@H](C)CN2CCN(CC)CC2)CCC1 ZINC000866874516 638544006 /nfs/dbraw/zinc/54/40/06/638544006.db2.gz RAPNQCCTFSVIAL-OAHLLOKOSA-N 0 3 375.535 0.665 20 0 GCADHN CC(C)(C)OC(=O)N1CCN(C(=O)CNC2CCS(=O)(=O)CC2)CC1 ZINC000310821722 638588346 /nfs/dbraw/zinc/58/83/46/638588346.db2.gz GUNDYFBCXKBWLS-UHFFFAOYSA-N 0 3 375.491 0.233 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1cn(C)nc1Br ZINC000893226425 638616267 /nfs/dbraw/zinc/61/62/67/638616267.db2.gz MOTPUDHJUBGRLH-CQSZACIVSA-N 0 3 375.267 0.602 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@H](NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000925614763 638621118 /nfs/dbraw/zinc/62/11/18/638621118.db2.gz KJHQYTTUKVFLFU-ZIAGYGMSSA-N 0 3 377.507 0.636 20 0 GCADHN CN1CC[C@@H](NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000053528386 638622541 /nfs/dbraw/zinc/62/25/41/638622541.db2.gz OLZQFMXVKNILKU-CQSZACIVSA-N 0 3 384.527 0.698 20 0 GCADHN O=C(CNC(=O)Cn1cc(Br)ccc1=O)NCCN1CCCCC1 ZINC000909327801 638625253 /nfs/dbraw/zinc/62/52/53/638625253.db2.gz DKCLZGCYJHCYBA-UHFFFAOYSA-N 0 3 399.289 0.329 20 0 GCADHN CS(C)(=O)=NS(=O)(=O)CCNC(=O)[C@H]1CCN(C2CCCCC2)C1 ZINC000927778648 638671067 /nfs/dbraw/zinc/67/10/67/638671067.db2.gz HBRUBZITTGNPAX-ZDUSSCGKSA-N 0 3 379.548 0.815 20 0 GCADHN O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N1CCCNCC1 ZINC000841149067 638676906 /nfs/dbraw/zinc/67/69/06/638676906.db2.gz CYCCVOAPNQEXPY-UHFFFAOYSA-N 0 3 384.230 0.981 20 0 GCADHN CN(CCO)CCNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000925007067 638692680 /nfs/dbraw/zinc/69/26/80/638692680.db2.gz FMCPVSUMKGYSBS-UHFFFAOYSA-N 0 3 375.466 0.556 20 0 GCADHN Cn1ncc(I)c1CNC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000894359046 638695897 /nfs/dbraw/zinc/69/58/97/638695897.db2.gz MNNCCFKFBWPKHK-SECBINFHSA-N 0 3 398.270 0.396 20 0 GCADHN COC(=O)[C@H]1[C@H](CNCCNS(=O)(=O)c2ccc(F)cc2F)C1(F)F ZINC000894659919 638708347 /nfs/dbraw/zinc/70/83/47/638708347.db2.gz FJGDBIRJVVEYAB-JOYOIKCWSA-N 0 3 384.351 0.887 20 0 GCADHN Cn1ncc(I)c1CN[C@@H]1CCCN(CCCO)C1 ZINC000894872409 638715157 /nfs/dbraw/zinc/71/51/57/638715157.db2.gz ATCPPYIYMUNKDI-LLVKDONJSA-N 0 3 378.258 0.961 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cn(C)nc1I ZINC000895083599 638723449 /nfs/dbraw/zinc/72/34/49/638723449.db2.gz BEULYZYXAZVKFP-JTQLQIEISA-N 0 3 391.257 0.577 20 0 GCADHN CS(=O)(=O)NCCNC(=S)NC[C@H](c1cccs1)N1CCCC1 ZINC000727066321 638730376 /nfs/dbraw/zinc/73/03/76/638730376.db2.gz JIGUEQUXSBUHMH-GFCCVEGCSA-N 0 3 376.573 0.898 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(OC)c1 ZINC000262162355 638734305 /nfs/dbraw/zinc/73/43/05/638734305.db2.gz VCLUKLOWDVOMHQ-WCQYABFASA-N 0 3 391.515 0.863 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c(OC)c1 ZINC000262162352 638734359 /nfs/dbraw/zinc/73/43/59/638734359.db2.gz VCLUKLOWDVOMHQ-DGCLKSJQSA-N 0 3 391.515 0.863 20 0 GCADHN CN(CCNCc1cn(C)nc1I)CCOCCO ZINC000895661520 639027807 /nfs/dbraw/zinc/02/78/07/639027807.db2.gz JAAAUPPBLODMFP-UHFFFAOYSA-N 0 3 382.246 0.055 20 0 GCADHN Cc1[nH]nc(I)c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000895991722 639035416 /nfs/dbraw/zinc/03/54/16/639035416.db2.gz ZNHOPOFGGPFHFD-ZJUUUORDSA-N 0 3 390.225 0.916 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cn(C)nc1Br ZINC000896073030 639037705 /nfs/dbraw/zinc/03/77/05/639037705.db2.gz MCJXYVVXKQXTPZ-GFCCVEGCSA-N 0 3 386.294 0.855 20 0 GCADHN O=C(NCc1cnc(Br)cn1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000896092085 639038637 /nfs/dbraw/zinc/03/86/37/639038637.db2.gz GJIDYTIVAUHZOI-QWHCGFSZSA-N 0 3 384.278 0.980 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]nc1I)CN1CCN(C)CC1 ZINC000896707488 639060372 /nfs/dbraw/zinc/06/03/72/639060372.db2.gz BEVQWKQDGLWQSM-JTQLQIEISA-N 0 3 391.257 0.628 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(Br)n1 ZINC000897021668 639079392 /nfs/dbraw/zinc/07/93/92/639079392.db2.gz HPCXSCKQNPFSQF-GFCCVEGCSA-N 0 3 384.278 0.561 20 0 GCADHN COCCNCCNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000262736753 639133730 /nfs/dbraw/zinc/13/37/30/639133730.db2.gz AOJCFMORPUNAHO-UHFFFAOYSA-N 0 3 394.291 0.922 20 0 GCADHN CC(C)(C)OC(=O)N1CCC[C@H]1CNCCS(=O)(=O)N1CCOCC1 ZINC000729683477 639195132 /nfs/dbraw/zinc/19/51/32/639195132.db2.gz RBFZWRVENDGSPY-AWEZNQCLSA-N 0 3 377.507 0.638 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)c1c[nH]nc1I ZINC000897878213 639212664 /nfs/dbraw/zinc/21/26/64/639212664.db2.gz ZQMYTYSARAFDHZ-SECBINFHSA-N 0 3 378.214 0.591 20 0 GCADHN O=C(NCc1ncc(Br)cn1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000898380611 639226984 /nfs/dbraw/zinc/22/69/84/639226984.db2.gz RGLQAXOTDOZPDY-OLZOCXBDSA-N 0 3 384.278 0.980 20 0 GCADHN CS(=O)(=O)C[C@@H](O)CNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000899573348 639263626 /nfs/dbraw/zinc/26/36/26/639263626.db2.gz WHVZHEXLANMHAI-INIZCTEOSA-N 0 3 385.555 0.521 20 0 GCADHN Cc1c(C(=O)NCCN(C)CCO)nnn1-c1cccc(Br)c1 ZINC000899731698 639271341 /nfs/dbraw/zinc/27/13/41/639271341.db2.gz GWJZQTIWAGIARZ-UHFFFAOYSA-N 0 3 382.262 0.992 20 0 GCADHN COc1ccc(C(=O)NCCN(C)CCO)nc1I ZINC000899736989 639273568 /nfs/dbraw/zinc/27/35/68/639273568.db2.gz VQURTWWKNPKIFD-UHFFFAOYSA-N 0 3 379.198 0.349 20 0 GCADHN CN(CCO)CCNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000899729625 639273587 /nfs/dbraw/zinc/27/35/87/639273587.db2.gz LYJMMVJWQQZGBA-UHFFFAOYSA-N 0 3 383.392 0.024 20 0 GCADHN CN1CCN(CCCNC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000899991440 639280709 /nfs/dbraw/zinc/28/07/09/639280709.db2.gz MZOLHUQZXBOTMU-UHFFFAOYSA-N 0 3 388.299 0.872 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000907070029 639354731 /nfs/dbraw/zinc/35/47/31/639354731.db2.gz BWXQXZYEGSYPGH-UHFFFAOYSA-N 0 3 375.535 0.761 20 0 GCADHN Cn1cc(C(=O)NC2(CCO)CCN(C)CC2)c(I)n1 ZINC000907239903 639369230 /nfs/dbraw/zinc/36/92/30/639369230.db2.gz ZQMTZFSNQCOTCS-UHFFFAOYSA-N 0 3 392.241 0.601 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCCC2)cc1 ZINC000907769117 639415710 /nfs/dbraw/zinc/41/57/10/639415710.db2.gz RHKCVRGEXYIJTA-UHFFFAOYSA-N 0 3 375.516 0.452 20 0 GCADHN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000908204771 639445089 /nfs/dbraw/zinc/44/50/89/639445089.db2.gz WZEBLGWRVXKOJL-NWDGAFQWSA-N 0 3 387.267 0.786 20 0 GCADHN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N[C@H](CO)CN1CCCC1 ZINC000908207907 639445283 /nfs/dbraw/zinc/44/52/83/639445283.db2.gz LANJMYBJBSKZPI-NSHDSACASA-N 0 3 375.256 0.691 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911308675 639511480 /nfs/dbraw/zinc/51/14/80/639511480.db2.gz BOIRYHPGPUMZGK-ZIAGYGMSSA-N 0 3 397.273 0.612 20 0 GCADHN CCN1CCN(CCC(=O)Nc2n[nH]cc2I)CC1 ZINC000912888581 639556251 /nfs/dbraw/zinc/55/62/51/639556251.db2.gz GVGZZZICGLOADU-UHFFFAOYSA-N 0 3 377.230 0.980 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)Nc2n[nH]cc2I)CC1=O ZINC000912889149 639557066 /nfs/dbraw/zinc/55/70/66/639557066.db2.gz VVORWGHPSNPJKF-MRVPVSSYSA-N 0 3 391.213 0.363 20 0 GCADHN O=C(NCCc1cccs1)C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923596230 639646902 /nfs/dbraw/zinc/64/69/02/639646902.db2.gz QOLDRJQUXVPIET-UHFFFAOYSA-N 0 3 386.543 0.269 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000730571425 639732912 /nfs/dbraw/zinc/73/29/12/639732912.db2.gz RDCYKJOYPPZRNM-TZMCWYRMSA-N 0 3 377.894 0.585 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCCN(CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000730938134 639747088 /nfs/dbraw/zinc/74/70/88/639747088.db2.gz USEBYUHRBKOYNV-AWEZNQCLSA-N 0 3 375.516 0.138 20 0 GCADHN O=S(=O)(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCNCC1 ZINC000923597305 639808653 /nfs/dbraw/zinc/80/86/53/639808653.db2.gz WTLTVJKMQYJBGK-INIZCTEOSA-N 0 3 388.921 0.453 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000916663434 639831455 /nfs/dbraw/zinc/83/14/55/639831455.db2.gz GIQFZPXNCWCYCM-UONOGXRCSA-N 0 3 387.527 0.509 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000918698976 639881352 /nfs/dbraw/zinc/88/13/52/639881352.db2.gz LCHXLVIOAPRFGW-HUUCEWRRSA-N 0 3 377.576 0.297 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000919941861 639909864 /nfs/dbraw/zinc/90/98/64/639909864.db2.gz XFHBHCPSQKXUAM-CABCVRRESA-N 0 3 376.523 0.715 20 0 GCADHN [NH3+][C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000237983254 639952131 /nfs/dbraw/zinc/95/21/31/639952131.db2.gz VLDXBBHPFWIDTO-QMMMGPOBSA-N 0 3 382.305 0.642 20 0 GCADHN O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000734278195 639994540 /nfs/dbraw/zinc/99/45/40/639994540.db2.gz PTYRAHMVMVQANK-GFCCVEGCSA-N 0 3 380.461 0.787 20 0 GCADHN Cn1cnc(S(=O)(=O)[N-]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000702553336 640123795 /nfs/dbraw/zinc/12/37/95/640123795.db2.gz LCXIWBAAXLQDKN-MRXNPFEDSA-N 0 3 384.889 0.989 20 0 GCADHN Cn1cnc(S(=O)(=O)[N-]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000702553336 640123799 /nfs/dbraw/zinc/12/37/99/640123799.db2.gz LCXIWBAAXLQDKN-MRXNPFEDSA-N 0 3 384.889 0.989 20 0 GCADHN O=S(=O)(NC[C@H](c1ccccc1Cl)N1CCOCC1)N1CCNCC1 ZINC000923588005 640143617 /nfs/dbraw/zinc/14/36/17/640143617.db2.gz GSYNZIBHPJKNHJ-MRXNPFEDSA-N 0 3 388.921 0.453 20 0 GCADHN O=C(Cc1ccc(Cl)cc1)N1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923591127 640144278 /nfs/dbraw/zinc/14/42/78/640144278.db2.gz OEAUWAPALZYREQ-UHFFFAOYSA-N 0 3 386.905 0.177 20 0 GCADHN O=C(c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923593968 640145057 /nfs/dbraw/zinc/14/50/57/640145057.db2.gz FCDIJSLNPRNRLE-UHFFFAOYSA-N 0 3 386.905 0.638 20 0 GCADHN C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000737293243 640146377 /nfs/dbraw/zinc/14/63/77/640146377.db2.gz LKINPBGFVMTVSA-RUZDIDTESA-N 0 3 383.539 0.711 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000747424266 640310819 /nfs/dbraw/zinc/31/08/19/640310819.db2.gz FSBAACVCPRBAMA-HNNXBMFYSA-N 0 3 378.560 0.912 20 0 GCADHN O=C(CSc1n[n-]c(=S)s1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000747397006 640310887 /nfs/dbraw/zinc/31/08/87/640310887.db2.gz DHPPQQBDSJFXRE-LLVKDONJSA-N 0 3 389.572 0.442 20 0 GCADHN O=C(CSc1n[n-]c(=S)s1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000747397006 640310892 /nfs/dbraw/zinc/31/08/92/640310892.db2.gz DHPPQQBDSJFXRE-LLVKDONJSA-N 0 3 389.572 0.442 20 0 GCADHN Cn1ncc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1Br ZINC000760216829 640565381 /nfs/dbraw/zinc/56/53/81/640565381.db2.gz DWSJOJUWUDLCSD-LBPRGKRZSA-N 0 3 384.278 0.737 20 0 GCADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(O)CCN(C)C2)ccc1Cl ZINC000762721862 640614832 /nfs/dbraw/zinc/61/48/32/640614832.db2.gz OWRBNVFLVGAULD-OAHLLOKOSA-N 0 3 375.878 0.387 20 0 GCADHN C[C@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000763432629 640629371 /nfs/dbraw/zinc/62/93/71/640629371.db2.gz UENYVVDKLKFTHM-QWHCGFSZSA-N 0 3 375.926 0.720 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](NCCS(=O)(=O)N2CCSCC2)C1 ZINC000769392953 640772238 /nfs/dbraw/zinc/77/22/38/640772238.db2.gz QRAGDQZAHCVVDU-ZDUSSCGKSA-N 0 3 379.548 0.964 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000770804637 640814637 /nfs/dbraw/zinc/81/46/37/640814637.db2.gz XUSGAVLRURIDFN-LBPRGKRZSA-N 0 3 398.305 0.925 20 0 GCADHN C[C@H](NCCS(=O)(=O)N1CCOCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000772959658 640853232 /nfs/dbraw/zinc/85/32/32/640853232.db2.gz BXELICDAIYKLEA-ZDUSSCGKSA-N 0 3 391.515 0.371 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCc2cnc(Br)s2)CC1=O ZINC000773527348 640867478 /nfs/dbraw/zinc/86/74/78/640867478.db2.gz CFINCCFJCORNES-VIFPVBQESA-N 0 3 375.292 0.932 20 0 GCADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCCS(=O)(=O)N1CCOCC1 ZINC000775628409 641080933 /nfs/dbraw/zinc/08/09/33/641080933.db2.gz QOPLRAYFZQMGPG-ZIAGYGMSSA-N 0 3 377.507 0.684 20 0 GCADHN CC(C)(C)OC(=O)N1CCC[C@H](NCCS(=O)(=O)N2CCOCC2)C1 ZINC000779094073 641179972 /nfs/dbraw/zinc/17/99/72/641179972.db2.gz NFTYLLBXTMSWOO-AWEZNQCLSA-N 0 3 377.507 0.638 20 0 GCADHN C[C@@H](CNC(=O)Cn1ccc(Br)cc1=O)CN1CCN(C)CC1 ZINC000865801648 641287586 /nfs/dbraw/zinc/28/75/86/641287586.db2.gz BMNLKRWVIJHTDC-ZDUSSCGKSA-N 0 3 385.306 0.611 20 0 GCADHN COCCN(C)CCN1C[C@@H](Nc2ncnc(F)c2Br)CC1=O ZINC000865887280 641288573 /nfs/dbraw/zinc/28/85/73/641288573.db2.gz UARXZHXAZFFGFE-JTQLQIEISA-N 0 3 390.257 0.969 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@@H]1CCC[NH2+]C1 ZINC000866738537 641321155 /nfs/dbraw/zinc/32/11/55/641321155.db2.gz ONANWZUDMVMIME-DTWKUNHWSA-N 0 3 398.270 0.691 20 0 GCADHN Cn1ncc(S(=O)(=O)NC[C@H]2CCCN(C)C2)c1I ZINC000866754561 641324499 /nfs/dbraw/zinc/32/44/99/641324499.db2.gz QQJMQTMDFIVQIZ-SECBINFHSA-N 0 3 398.270 0.645 20 0 GCADHN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnn(C)c2I)CC[NH2+]1 ZINC000866758428 641325594 /nfs/dbraw/zinc/32/55/94/641325594.db2.gz AUQOFABBIVCYMQ-SFYZADRCSA-N 0 3 384.243 0.444 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H]2CC23CC[NH2+]CC3)c1I ZINC000866766450 641328262 /nfs/dbraw/zinc/32/82/62/641328262.db2.gz RVDDJMFJFULBGD-VIFPVBQESA-N 0 3 396.254 0.445 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C(C)(C)CCC[NH3+])c1I ZINC000866766586 641328313 /nfs/dbraw/zinc/32/83/13/641328313.db2.gz VYFTXSUWOYCJID-UHFFFAOYSA-N 0 3 386.259 0.821 20 0 GCADHN CN(C)C1(CNS(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)CCOCC1 ZINC000866790679 641333069 /nfs/dbraw/zinc/33/30/69/641333069.db2.gz SSWDHWXDJODDTI-UHFFFAOYSA-N 0 3 377.507 0.636 20 0 GCADHN COCCC1([N-]S(=O)(=O)c2cn(C)nc2Br)CC[NH2+]CC1 ZINC000866825601 641339041 /nfs/dbraw/zinc/33/90/41/641339041.db2.gz NIHLYVWCAPROIJ-UHFFFAOYSA-N 0 3 381.296 0.620 20 0 GCADHN C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000787635665 641352981 /nfs/dbraw/zinc/35/29/81/641352981.db2.gz XPFZEAFYFJRRAC-UPJWGTAASA-N 0 3 386.905 0.812 20 0 GCADHN C[C@H](CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000787635665 641352985 /nfs/dbraw/zinc/35/29/85/641352985.db2.gz XPFZEAFYFJRRAC-UPJWGTAASA-N 0 3 386.905 0.812 20 0 GCADHN CN(C)CCCS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000867563080 641355954 /nfs/dbraw/zinc/35/59/54/641355954.db2.gz FTRQKPVQVFTENC-UHFFFAOYSA-N 0 3 379.523 0.931 20 0 GCADHN COC[C@]1(C(=O)OC(C)(C)C)CN(S(=O)(=O)CCCN(C)C)CCO1 ZINC000867649601 641365655 /nfs/dbraw/zinc/36/56/55/641365655.db2.gz CUPBEYPFKXVQBZ-INIZCTEOSA-N 0 3 380.507 0.327 20 0 GCADHN CCOC(=O)[C@H]1[C@H](NCCCS(C)(=O)=O)CCN1C(=O)OC(C)(C)C ZINC000788646176 641374016 /nfs/dbraw/zinc/37/40/16/641374016.db2.gz JTEWNIXTGJURMG-CHWSQXEVSA-N 0 3 378.491 0.952 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000788913986 641379333 /nfs/dbraw/zinc/37/93/33/641379333.db2.gz SWPHPRKLZXTFMN-CABCVRRESA-N 0 3 376.523 0.715 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000788913987 641379613 /nfs/dbraw/zinc/37/96/13/641379613.db2.gz SWPHPRKLZXTFMN-GJZGRUSLSA-N 0 3 376.523 0.715 20 0 GCADHN C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC[C@@H]21 ZINC000867812279 641380797 /nfs/dbraw/zinc/38/07/97/641380797.db2.gz JCJMIVYGWAYUDN-NHYWBVRUSA-N 0 3 391.490 0.912 20 0 GCADHN C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC[C@@H]21 ZINC000867812279 641380800 /nfs/dbraw/zinc/38/08/00/641380800.db2.gz JCJMIVYGWAYUDN-NHYWBVRUSA-N 0 3 391.490 0.912 20 0 GCADHN Cn1nc(I)cc1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000868344017 641402479 /nfs/dbraw/zinc/40/24/79/641402479.db2.gz NMZQLEZOIWBVIA-UWVGGRQHSA-N 0 3 390.225 0.306 20 0 GCADHN Cn1ncc(I)c1CNC(=O)N[C@H]1CCCN(C)C1 ZINC000868362645 641403088 /nfs/dbraw/zinc/40/30/88/641403088.db2.gz CXSINOWZZTVYHA-VIFPVBQESA-N 0 3 377.230 0.918 20 0 GCADHN Cn1nc(I)cc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000868630009 641408467 /nfs/dbraw/zinc/40/84/67/641408467.db2.gz VIGHPCFQXSVYRR-JTQLQIEISA-N 0 3 392.241 0.601 20 0 GCADHN Cn1nc(I)cc1C(=O)NC[C@H]1CCCN1CCCO ZINC000868630010 641408496 /nfs/dbraw/zinc/40/84/96/641408496.db2.gz VIGHPCFQXSVYRR-SNVBAGLBSA-N 0 3 392.241 0.601 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2CSCCS2)CC1 ZINC000790192365 641409429 /nfs/dbraw/zinc/40/94/29/641409429.db2.gz ZCAFMHCUXIEIFO-CABCVRRESA-N 0 3 388.603 0.341 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000790450385 641414320 /nfs/dbraw/zinc/41/43/20/641414320.db2.gz OGBMIQJFTIMFLB-AWEZNQCLSA-N 0 3 376.523 0.715 20 0 GCADHN CC(=O)N[C@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1cccc(Br)c1 ZINC000869194798 641418543 /nfs/dbraw/zinc/41/85/43/641418543.db2.gz JCMVCONCMAHQNU-XHSDSOJGSA-N 0 3 396.285 0.904 20 0 GCADHN CN1CCN(c2ccnc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000870667017 641442772 /nfs/dbraw/zinc/44/27/72/641442772.db2.gz BQXMOSTVLQUVKV-AWEZNQCLSA-N 0 3 384.527 0.692 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000792950062 641458420 /nfs/dbraw/zinc/45/84/20/641458420.db2.gz SSTGOCOTGKGTGU-UHFFFAOYSA-N 0 3 384.278 0.536 20 0 GCADHN O=C1[C@@H](NS(=O)(=O)N2CCNCC2)CCN1c1ccc(F)c(Cl)c1 ZINC000923635165 641465728 /nfs/dbraw/zinc/46/57/28/641465728.db2.gz MUZYJYSPGWIJDP-ZDUSSCGKSA-N 0 3 376.841 0.324 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(Br)n1 ZINC000872499385 641474662 /nfs/dbraw/zinc/47/46/62/641474662.db2.gz HTOCPXMWYGKKQM-JTQLQIEISA-N 0 3 391.291 0.585 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ncc(Cl)s2)CC1 ZINC000875097794 641537878 /nfs/dbraw/zinc/53/78/78/641537878.db2.gz QGZJMZZYEAJVSA-LBPRGKRZSA-N 0 3 387.937 0.803 20 0 GCADHN CCOC(=O)CS[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)C(F)(F)F ZINC000876256928 641559584 /nfs/dbraw/zinc/55/95/84/641559584.db2.gz BUCUHUCGFHMRHJ-GWCFXTLKSA-N 0 3 387.424 0.579 20 0 GCADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1c(Br)cnn1C ZINC000876475198 641564059 /nfs/dbraw/zinc/56/40/59/641564059.db2.gz MWMJJURPUARSCW-AWEZNQCLSA-N 0 3 375.267 0.602 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1nn(C)cc1Br ZINC000876476301 641564567 /nfs/dbraw/zinc/56/45/67/641564567.db2.gz WROYLRFSONYBOT-CQSZACIVSA-N 0 3 375.267 0.602 20 0 GCADHN COC[C@@]1(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CCCCN1 ZINC000876662337 641569177 /nfs/dbraw/zinc/56/91/77/641569177.db2.gz WLCRCVXKSNIDKK-OAHLLOKOSA-N 0 3 383.461 0.526 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)Cn3ccc(Br)cc3=O)C2)nn1 ZINC000876918831 641572245 /nfs/dbraw/zinc/57/22/45/641572245.db2.gz OVEAUTPFEWOWMG-CYBMUJFWSA-N 0 3 395.261 0.525 20 0 GCADHN C[NH2+]CCOCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000877025154 641573716 /nfs/dbraw/zinc/57/37/16/641573716.db2.gz YCVGWVXFOUQNGP-UHFFFAOYSA-N 0 3 375.466 0.868 20 0 GCADHN CN(C)C[C@H](N)C(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877123838 641575922 /nfs/dbraw/zinc/57/59/22/641575922.db2.gz PMRGFOMDZPCLGI-AWEZNQCLSA-N 0 3 383.290 0.509 20 0 GCADHN O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923656062 641577179 /nfs/dbraw/zinc/57/71/79/641577179.db2.gz WRFISUQNIIQTRA-OAHLLOKOSA-N 0 3 388.515 0.043 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1F ZINC000877362439 641579544 /nfs/dbraw/zinc/57/95/44/641579544.db2.gz COICCMXAHXIBNA-ZJUUUORDSA-N 0 3 383.367 0.943 20 0 GCADHN CC(C)(C)OC(=O)N1[C@@H](CN[C@@H]2CCN(S(C)(=O)=O)C2)COC1(C)C ZINC000877610537 641583290 /nfs/dbraw/zinc/58/32/90/641583290.db2.gz REFCFTPZDNBZBD-OLZOCXBDSA-N 0 3 377.507 0.982 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)c2ccc(Br)cc2)C1 ZINC000878084320 641588848 /nfs/dbraw/zinc/58/88/48/641588848.db2.gz DLJGTZRLPNGWMH-FZMZJTMJSA-N 0 3 392.319 0.988 20 0 GCADHN Cc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)N3CCNCC3)CC2)cc1 ZINC000923670164 641593678 /nfs/dbraw/zinc/59/36/78/641593678.db2.gz IELBXHSCOVLOEL-UHFFFAOYSA-N 0 3 387.527 0.383 20 0 GCADHN C[C@H](Sc1nc(CC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cs1)C(N)=O ZINC000878543313 641596238 /nfs/dbraw/zinc/59/62/38/641596238.db2.gz YVLBCKYUVKRTPM-WCFLWFBJSA-N 0 3 384.527 0.631 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 ZINC000878688870 641599679 /nfs/dbraw/zinc/59/96/79/641599679.db2.gz SZFKIPFMCAOMIU-WCQYABFASA-N 0 3 386.543 0.879 20 0 GCADHN CC(C)N1CCN(C2CCN(S(=O)(=O)N=S3(=O)CCCC3)CC2)CC1 ZINC000867025435 641608757 /nfs/dbraw/zinc/60/87/57/641608757.db2.gz NXOHMDSMEQAPGT-UHFFFAOYSA-N 0 3 392.591 0.983 20 0 GCADHN CN1C(=O)[C@H]2CN(Cc3cc(=O)n4cc(Br)ccc4n3)C[C@H]2C1=O ZINC000879534656 641614189 /nfs/dbraw/zinc/61/41/89/641614189.db2.gz UFQYMACBQGLPNN-TXEJJXNPSA-N 0 3 391.225 0.504 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)c1ccc(-n2cc(Br)cn2)nn1 ZINC000879997017 641623872 /nfs/dbraw/zinc/62/38/72/641623872.db2.gz DTCGJLVTEVNULX-LBPRGKRZSA-N 0 3 395.261 0.611 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000807454844 641667696 /nfs/dbraw/zinc/66/76/96/641667696.db2.gz VKBKVTZLUDOVRO-MGPQQGTHSA-N 0 3 375.560 0.567 20 0 GCADHN CN(C)C[C@H]1CN(S(=O)(=O)N=[S@](C)(=O)N(C)C)c2ccccc2O1 ZINC000881990589 641680350 /nfs/dbraw/zinc/68/03/50/641680350.db2.gz DVPVHDRQVVTOQI-MYODQAERSA-N 0 3 376.504 0.635 20 0 GCADHN CN(C)C[C@@H]1CN(S(=O)(=O)N=[S@](C)(=O)N(C)C)c2ccccc2O1 ZINC000881990591 641680517 /nfs/dbraw/zinc/68/05/17/641680517.db2.gz DVPVHDRQVVTOQI-SPSFWMDKSA-N 0 3 376.504 0.635 20 0 GCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000808775678 641696339 /nfs/dbraw/zinc/69/63/39/641696339.db2.gz HKLSJTWOXUQMFM-CABCVRRESA-N 0 3 375.535 0.616 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1c(Br)nnn1C ZINC000810312079 641725935 /nfs/dbraw/zinc/72/59/35/641725935.db2.gz JIKNSRPENVHRKB-SNVBAGLBSA-N 0 3 387.282 0.250 20 0 GCADHN CC1(N2CCC2)CCN(S(=O)(=O)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000882767598 641740335 /nfs/dbraw/zinc/74/03/35/641740335.db2.gz UAOIQKHQNBJGDD-CQSZACIVSA-N 0 3 379.548 0.158 20 0 GCADHN CN1CCN(CCNC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)CC1(C)C ZINC000883673514 641757613 /nfs/dbraw/zinc/75/76/13/641757613.db2.gz IIYMCYLZAQCGGI-SNVBAGLBSA-N 0 3 376.370 0.870 20 0 GCADHN O=C(NC[C@H]1CCN1C1CCOCC1)c1c[nH]nc1I ZINC000885890629 641821526 /nfs/dbraw/zinc/82/15/26/641821526.db2.gz HQGRSBMKNPCBRX-SNVBAGLBSA-N 0 3 390.225 0.997 20 0 GCADHN COc1ncc(Br)cc1CNCCc1nnc2c(=O)n(C)ccn12 ZINC000886282381 641838985 /nfs/dbraw/zinc/83/89/85/641838985.db2.gz HAJLNVRUXWKFTI-UHFFFAOYSA-N 0 3 393.245 0.926 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889767869 641877916 /nfs/dbraw/zinc/87/79/16/641877916.db2.gz BAHSTQTZLNTPMS-ILXRZTDVSA-N 0 3 393.575 0.105 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccs1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889783602 641878723 /nfs/dbraw/zinc/87/87/23/641878723.db2.gz ZDPNIIQWDBLIPR-KGLIPLIRSA-N 0 3 387.527 0.474 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889767873 641878739 /nfs/dbraw/zinc/87/87/39/641878739.db2.gz BAHSTQTZLNTPMS-RBSFLKMASA-N 0 3 393.575 0.105 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cc(Br)cc2c1NC(=O)CO2)N(C)C ZINC000889805012 641878835 /nfs/dbraw/zinc/87/88/35/641878835.db2.gz HAFWCBKZZSOPEO-MRVPVSSYSA-N 0 3 399.245 0.785 20 0 GCADHN CN(C[C@H](O)c1ccccc1Br)C(=O)C(=O)N1CCCNCC1 ZINC000817991492 641893501 /nfs/dbraw/zinc/89/35/01/641893501.db2.gz WWSCBGJICSUWDQ-AWEZNQCLSA-N 0 3 384.274 0.763 20 0 GCADHN O=C(NC[C@H]1CNCCO1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000818007590 641894993 /nfs/dbraw/zinc/89/49/93/641894993.db2.gz FDFQPOORGUMBLE-GFCCVEGCSA-N 0 3 387.889 0.843 20 0 GCADHN O=C1N[C@H](CN2CCCCC2)C(=O)N1CCNS(=O)(=O)c1cccs1 ZINC000924810503 641909099 /nfs/dbraw/zinc/90/90/99/641909099.db2.gz HWYQQWXJZAIRSU-GFCCVEGCSA-N 0 3 386.499 0.433 20 0 GCADHN O=S(=O)(CCNC[C@H](O)COCc1ccccc1Cl)N1CCOCC1 ZINC000818990001 641925573 /nfs/dbraw/zinc/92/55/73/641925573.db2.gz WGQIYMFBGFGPIU-HNNXBMFYSA-N 0 3 392.905 0.469 20 0 GCADHN O=C(NCCN[C@@H]1C(=O)NCC12CCOCC2)c1ccc(Br)cn1 ZINC000926683095 641925979 /nfs/dbraw/zinc/92/59/79/641925979.db2.gz KRMFDAUAYKZENV-CYBMUJFWSA-N 0 3 397.273 0.459 20 0 GCADHN CN(C)C[C@H]1NC(=O)N(c2cc(N3CCOCC3)c(Br)cn2)C1=O ZINC000927250550 641931088 /nfs/dbraw/zinc/93/10/88/641931088.db2.gz DPHVXPFUYIQVPU-LLVKDONJSA-N 0 3 398.261 0.667 20 0 GCADHN CS(=O)(=O)CC1(CNC[C@H](O)c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC000819377155 641935435 /nfs/dbraw/zinc/93/54/35/641935435.db2.gz NTFWKAIDLNCKEO-HNNXBMFYSA-N 0 3 375.512 0.928 20 0 GCADHN O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CCNCCNCC1 ZINC000927880426 641938715 /nfs/dbraw/zinc/93/87/15/641938715.db2.gz USJFOSCYQGMGFI-UHFFFAOYSA-N 0 3 391.216 0.687 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CCN1C ZINC000928430766 641945992 /nfs/dbraw/zinc/94/59/92/641945992.db2.gz JHXRGOBTOUUFON-KWQFWETISA-N 0 3 376.276 0.919 20 0 GCADHN C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CCN1C ZINC000928455458 641946572 /nfs/dbraw/zinc/94/65/72/641946572.db2.gz PMGDYSBYKUNXMU-ZWNOBZJWSA-N 0 3 390.303 0.936 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCN1C ZINC000928432461 641946710 /nfs/dbraw/zinc/94/67/10/641946710.db2.gz FKRROHIQWAEPME-LDYMZIIASA-N 0 3 376.276 0.919 20 0 GCADHN CCN(CC)CCNC(=O)C1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000929105673 641954752 /nfs/dbraw/zinc/95/47/52/641954752.db2.gz LIQABSHTKPPBKR-CYBMUJFWSA-N 0 3 377.507 0.479 20 0 GCADHN CC(=O)NC1CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000929419666 641958931 /nfs/dbraw/zinc/95/89/31/641958931.db2.gz JFYBNCGXEYYESJ-HNNXBMFYSA-N 0 3 375.535 0.588 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCc2nc3c(s2)CCC3)CCSC1 ZINC000929464339 641959514 /nfs/dbraw/zinc/95/95/14/641959514.db2.gz LHFHTXZEEOTQMZ-QGZVFWFLSA-N 0 3 382.555 0.844 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000929644487 641961925 /nfs/dbraw/zinc/96/19/25/641961925.db2.gz RJFMCDXTIOTULL-GFCCVEGCSA-N 0 3 383.436 0.720 20 0 GCADHN CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCC[C@@H](OCCO)C2)CCC1 ZINC000929654518 641962169 /nfs/dbraw/zinc/96/21/69/641962169.db2.gz WHLRPFHFOMSCOF-CABCVRRESA-N 0 3 378.535 0.461 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000931898802 641995517 /nfs/dbraw/zinc/99/55/17/641995517.db2.gz OJQQVSWVUYYGDV-UHFFFAOYSA-N 0 3 397.273 0.930 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cc1Br)CN1CCN(C)CC1 ZINC000932714753 642007427 /nfs/dbraw/zinc/00/74/27/642007427.db2.gz QWBCFFNQFIVOJT-LBPRGKRZSA-N 0 3 385.306 0.761 20 0 GCADHN CC(C)(C)OC(=O)N1CCN(CCN2CC[C@H](CS(N)(=O)=O)C2)CC1 ZINC000932947781 642009637 /nfs/dbraw/zinc/00/96/37/642009637.db2.gz DGTWIHAGENUXBT-AWEZNQCLSA-N 0 3 376.523 0.150 20 0 GCADHN CC(C)(C)OC(=O)N1CCN(CCN2CC[C@@H](CS(N)(=O)=O)C2)CC1 ZINC000932947782 642009737 /nfs/dbraw/zinc/00/97/37/642009737.db2.gz DGTWIHAGENUXBT-CQSZACIVSA-N 0 3 376.523 0.150 20 0 GCADHN CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000822780665 642017409 /nfs/dbraw/zinc/01/74/09/642017409.db2.gz QDGVWVNKNSDTQE-KBPBESRZSA-N 0 3 377.507 0.357 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncc(Br)cn2)CC1 ZINC000934895448 642031598 /nfs/dbraw/zinc/03/15/98/642031598.db2.gz LFNUXCAPRDYKFB-LBPRGKRZSA-N 0 3 382.262 0.618 20 0 GCADHN O=C(c1cc(Br)cn2ncnc12)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000935981972 642045846 /nfs/dbraw/zinc/04/58/46/642045846.db2.gz ASRKHSKXIVQYTI-RYUDHWBXSA-N 0 3 380.246 0.773 20 0 GCADHN CN(C)CCn1nccc1C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000901151382 642125397 /nfs/dbraw/zinc/12/53/97/642125397.db2.gz UMQORYMQVBYXBR-UHFFFAOYSA-N 0 3 385.515 0.557 20 0 GCADHN Cn1cc(I)c(C(=O)NC2(CCO)CCN(C)CC2)n1 ZINC000901347076 642131679 /nfs/dbraw/zinc/13/16/79/642131679.db2.gz RGDREUBJCGUCTK-UHFFFAOYSA-N 0 3 392.241 0.601 20 0 GCADHN O=C([O-])CN1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000902186075 642150022 /nfs/dbraw/zinc/15/00/22/642150022.db2.gz WAYVKKMXOQURJT-UHFFFAOYSA-N 0 3 375.878 0.757 20 0 GCADHN CCOC(=O)C1(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)CCC1 ZINC000867123557 642231176 /nfs/dbraw/zinc/23/11/76/642231176.db2.gz BKJGNYFDSIGBPW-UHFFFAOYSA-N 0 3 375.535 0.760 20 0 GCADHN CC(C)N(C)CCNS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000867146284 642238136 /nfs/dbraw/zinc/23/81/36/642238136.db2.gz PMQDLVGJWONPOM-CQSZACIVSA-N 0 3 379.523 0.882 20 0 GCADHN CS[C@H]1CN(C(=O)C(F)(F)C(=O)N2CCOCC2)C[C@H]1N1CCCC1 ZINC000836207873 642245466 /nfs/dbraw/zinc/24/54/66/642245466.db2.gz KKACFKDWFRUNNC-OLZOCXBDSA-N 0 3 377.457 0.519 20 0 GCADHN CN1CCC2(CCCN(S(=O)(=O)C[C@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC000867225335 642268146 /nfs/dbraw/zinc/26/81/46/642268146.db2.gz NVSKTLQSSZLYMP-HNNXBMFYSA-N 0 3 393.575 0.406 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(Br)c1 ZINC000840980757 642289610 /nfs/dbraw/zinc/28/96/10/642289610.db2.gz MOQKKMREABQSIS-CQSZACIVSA-N 0 3 386.290 0.961 20 0 GCADHN CC[S@@](C)(=O)=NS(=O)(=O)N1CCC(N(CCOC)CCOC)CC1 ZINC000867263949 642302882 /nfs/dbraw/zinc/30/28/82/642302882.db2.gz WQQUSXTZGFFGOG-HSZRJFAPSA-N 0 3 385.552 0.408 20 0 GCADHN C[C@@H]1[C@H](C)NCCN1C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000841808934 642321668 /nfs/dbraw/zinc/32/16/68/642321668.db2.gz QLFOHKYRIHCBCV-WDEREUQCSA-N 0 3 386.440 0.940 20 0 GCADHN CC(=O)c1cc(S(=O)(=O)NC[C@H]2CNCCO2)ccc1Br ZINC000842483203 642337926 /nfs/dbraw/zinc/33/79/26/642337926.db2.gz HPWXUQNFHRHZKK-SNVBAGLBSA-N 0 3 377.260 0.918 20 0 GCADHN CNC(=O)[C@H](O)CNC[C@@H](O)COc1ccc(Cl)cc1Br ZINC000843112543 642363985 /nfs/dbraw/zinc/36/39/85/642363985.db2.gz ZHSVJQYQUSOTMT-MWLCHTKSSA-N 0 3 381.654 0.539 20 0 GCADHN [NH3+]C[C@@H]1CN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CCO1 ZINC000843462461 642371115 /nfs/dbraw/zinc/37/11/15/642371115.db2.gz FVPYDKSCMQKGAC-SNVBAGLBSA-N 0 3 375.397 0.205 20 0 GCADHN C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843475394 642371437 /nfs/dbraw/zinc/37/14/37/642371437.db2.gz QPESQNYGXCZWTA-SRVKXCTJSA-N 0 3 392.884 0.950 20 0 GCADHN O=C(NC[C@H]1CNCCO1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843496871 642373462 /nfs/dbraw/zinc/37/34/62/642373462.db2.gz CZFNOFIHZFPWGO-LLVKDONJSA-N 0 3 382.467 0.016 20 0 GCADHN CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)[C@H](CN)C1 ZINC000844226817 642398192 /nfs/dbraw/zinc/39/81/92/642398192.db2.gz PYOFWFRXQFOOLN-MRVPVSSYSA-N 0 3 387.936 0.068 20 0 GCADHN COC(=O)c1sc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c(C)c1Cl ZINC000844227432 642398676 /nfs/dbraw/zinc/39/86/76/642398676.db2.gz YTVGONHBEFQWHZ-UHFFFAOYSA-N 0 3 381.907 0.680 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000867374534 642416193 /nfs/dbraw/zinc/41/61/93/642416193.db2.gz GGHOCONIZVDEAT-UONOGXRCSA-N 0 3 377.507 0.493 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000867374533 642416285 /nfs/dbraw/zinc/41/62/85/642416285.db2.gz GGHOCONIZVDEAT-KGLIPLIRSA-N 0 3 377.507 0.493 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@](O)(CN2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000846811134 642499688 /nfs/dbraw/zinc/49/96/88/642499688.db2.gz JUCOLMCNQAIICB-XJKSGUPXSA-N 0 3 377.507 0.359 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000847301396 642512146 /nfs/dbraw/zinc/51/21/46/642512146.db2.gz AKFQOLXWFLHTCD-UHFFFAOYSA-N 0 3 376.523 0.164 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC000849437254 642656672 /nfs/dbraw/zinc/65/66/72/642656672.db2.gz FNRMGPVBZILOSB-NXEZZACHSA-N 0 3 388.364 0.727 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000849468262 642664836 /nfs/dbraw/zinc/66/48/36/642664836.db2.gz LXHXKDGMAXOBNQ-OAHLLOKOSA-N 0 3 376.523 0.715 20 0 GCADHN O=C([C@@H]1CN2CCN1CCC2)N1CC(O)(c2cccc(Br)c2)C1 ZINC000857418113 642940630 /nfs/dbraw/zinc/94/06/30/642940630.db2.gz AJVPIGDNRYBJMK-HNNXBMFYSA-N 0 3 380.286 0.869 20 0 GCADHN CNS(=O)(=O)NC1CCN(CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859287640 642995296 /nfs/dbraw/zinc/99/52/96/642995296.db2.gz NVVLVOWEYOLIJM-UHFFFAOYSA-N 0 3 376.523 0.762 20 0 GCADHN COc1cccc(C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)n2nnnc2C)c1 ZINC000662946299 1192164789 /nfs/dbraw/zinc/16/47/89/1192164789.db2.gz QVVWWTWABMGRLQ-OAHLLOKOSA-N 0 3 398.427 0.045 20 0 GCADHN COc1ccc2c(c1)CCN(C(=O)C(=O)N1CCC[C@@H](n3cc(CN)nn3)C1)C2 ZINC000662979716 1192174797 /nfs/dbraw/zinc/17/47/97/1192174797.db2.gz MQQGXXYROYKHAI-QGZVFWFLSA-N 0 3 398.467 0.494 20 0 GCADHN Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000652326956 1192190128 /nfs/dbraw/zinc/19/01/28/1192190128.db2.gz QAMZLIYHCZSUPP-HOCLYGCPSA-N 0 3 385.472 0.860 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661880560 1192192058 /nfs/dbraw/zinc/19/20/58/1192192058.db2.gz PNRDEZKHOFMBII-MSOLQXFVSA-N 0 3 380.533 0.500 20 0 GCADHN CN(C[C@@H]1CCN1C(=O)CN(C)C1CCC1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000978156149 1192201334 /nfs/dbraw/zinc/20/13/34/1192201334.db2.gz CULPHRVAFSDICO-PCODUJHASA-N 0 3 379.501 0.582 20 0 GCADHN O=C(CN1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1)N1CCCC1 ZINC000661971644 1192208829 /nfs/dbraw/zinc/20/88/29/1192208829.db2.gz FETIDZUGCOYUIN-GOSISDBHSA-N 0 3 393.532 0.189 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000661975073 1192209884 /nfs/dbraw/zinc/20/98/84/1192209884.db2.gz KXHVEWHKJNRRMJ-KRWDZBQOSA-N 0 3 387.484 0.802 20 0 GCADHN CCCN(Cc1ccc(C)cc1)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652392983 1192211230 /nfs/dbraw/zinc/21/12/30/1192211230.db2.gz PQYLVWPVBLRDIS-UHFFFAOYSA-N 0 3 388.512 0.966 20 0 GCADHN O=C(NCCN1C[C@@H]2CCCCN2C1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661983626 1192211355 /nfs/dbraw/zinc/21/13/55/1192211355.db2.gz JSMKEXIJRYSACC-IRXDYDNUSA-N 0 3 379.505 0.829 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)CC1=O ZINC000652394885 1192212475 /nfs/dbraw/zinc/21/24/75/1192212475.db2.gz MNOZOMOBLYZCQN-UHFFFAOYSA-N 0 3 390.459 0.549 20 0 GCADHN CC(C)C(=O)Nc1cccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000049278633 1192213699 /nfs/dbraw/zinc/21/36/99/1192213699.db2.gz WZHXWFNLWRBGFL-UHFFFAOYSA-N 0 3 389.500 0.973 20 0 GCADHN CCn1cnnc1-c1cccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000049277851 1192213805 /nfs/dbraw/zinc/21/38/05/1192213805.db2.gz SMRFOZQCDKFLCU-UHFFFAOYSA-N 0 3 399.499 0.657 20 0 GCADHN CCCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652407340 1192215487 /nfs/dbraw/zinc/21/54/87/1192215487.db2.gz COPABTGYNBPQMK-UHFFFAOYSA-N 0 3 392.475 0.797 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000652415549 1192219239 /nfs/dbraw/zinc/21/92/39/1192219239.db2.gz ZZPWRXFWKYFNHP-UHFFFAOYSA-N 0 3 379.530 0.732 20 0 GCADHN O=C(CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCC1)NC[C@H]1CCCO1 ZINC001268039455 1192223799 /nfs/dbraw/zinc/22/37/99/1192223799.db2.gz USNMYPDCYXWMAJ-PITCONLNSA-N 0 3 391.512 0.724 20 0 GCADHN O=C1CCCN1C[C@H]1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000662057469 1192226591 /nfs/dbraw/zinc/22/65/91/1192226591.db2.gz CDTUSDLIPJBOLF-RDJZCZTQSA-N 0 3 386.452 0.809 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@@](C)(c3ccccc3)C2)CC1=O ZINC000652463467 1192227441 /nfs/dbraw/zinc/22/74/41/1192227441.db2.gz HHOAJWNMGFRHLG-OAQYLSRUSA-N 0 3 386.496 0.409 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)CC1=O ZINC000652474626 1192229093 /nfs/dbraw/zinc/22/90/93/1192229093.db2.gz VCGYPSWVQBRKMM-OEIFXAAASA-N 0 3 398.507 0.923 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)[C@@H](c2ccco2)C1 ZINC000652470208 1192229181 /nfs/dbraw/zinc/22/91/81/1192229181.db2.gz QNBGKOVPRUOYAA-HZPDHXFCSA-N 0 3 390.484 0.812 20 0 GCADHN CCc1cccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000652471707 1192229849 /nfs/dbraw/zinc/22/98/49/1192229849.db2.gz CVYAFAJCCZLRAW-GOSISDBHSA-N 0 3 386.496 0.630 20 0 GCADHN Cc1cccc([C@@H]2CCN(C(=O)C(=O)N3CCN(CCN(C)C)C(=O)C3)C2)c1 ZINC000652473217 1192230246 /nfs/dbraw/zinc/23/02/46/1192230246.db2.gz VNEHQBGJYFALGQ-GOSISDBHSA-N 0 3 386.496 0.543 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCc3cccc(Cl)c3C2)CC1=O ZINC000652487222 1192232420 /nfs/dbraw/zinc/23/24/20/1192232420.db2.gz WQPIJWAECRXMFF-UHFFFAOYSA-N 0 3 392.887 0.457 20 0 GCADHN CN1CCN(CCCN2CC[C@@]3(CCCN3S(=O)(=O)C(F)F)C2=O)CC1 ZINC001279210505 1192243775 /nfs/dbraw/zinc/24/37/75/1192243775.db2.gz LQRONTUPFZZKEB-INIZCTEOSA-N 0 3 394.488 0.243 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)cn1C ZINC000051380784 1192243956 /nfs/dbraw/zinc/24/39/56/1192243956.db2.gz SSQILMJDNQRLDK-HNNXBMFYSA-N 0 3 395.529 0.482 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCc1ccc2c(c1)ncn2C ZINC000931620884 1192254483 /nfs/dbraw/zinc/25/44/83/1192254483.db2.gz ITZDVWXYNQRIRA-UHFFFAOYSA-N 0 3 386.500 0.285 20 0 GCADHN CCn1nncc1CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000636706259 1192274603 /nfs/dbraw/zinc/27/46/03/1192274603.db2.gz FQGXUPLFFDZPJD-UHFFFAOYSA-N 0 3 394.545 0.782 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000636711911 1192278402 /nfs/dbraw/zinc/27/84/02/1192278402.db2.gz MSTGQFCTIMVVFM-STQMWFEESA-N 0 3 390.410 0.878 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NCC2CN(S(C)(=O)=O)C2)CN1Cc1ccccc1 ZINC000188592894 1192287478 /nfs/dbraw/zinc/28/74/78/1192287478.db2.gz DPRMSABQCROVEX-PBHICJAKSA-N 0 3 380.514 0.840 20 0 GCADHN Cc1nc(CN2CCC(CNC(=O)NCCN3CC[C@H](O)C3)CC2)oc1C ZINC000636773028 1192302819 /nfs/dbraw/zinc/30/28/19/1192302819.db2.gz PPMBZWIKUBWAPA-KRWDZBQOSA-N 0 3 379.505 0.869 20 0 GCADHN O=C(c1cc2c(s1)CCNC2)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000662480662 1192303293 /nfs/dbraw/zinc/30/32/93/1192303293.db2.gz UOWOFKPZEDSMOC-UHFFFAOYSA-N 0 3 396.494 0.670 20 0 GCADHN NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c1CNC2 ZINC000662505569 1192308935 /nfs/dbraw/zinc/30/89/35/1192308935.db2.gz WRBIMBPJNKWNJD-SFHVURJKSA-N 0 3 380.448 0.623 20 0 GCADHN C[C@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)N1C(=O)CCC1=O ZINC000068102845 1192314769 /nfs/dbraw/zinc/31/47/69/1192314769.db2.gz VPIZPFVBJIEKHM-QGZVFWFLSA-N 0 3 386.496 0.848 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000041719911 1192319389 /nfs/dbraw/zinc/31/93/89/1192319389.db2.gz QHBBKKLJWDZXMJ-UHFFFAOYSA-N 0 3 376.457 0.556 20 0 GCADHN C[C@@H](NC(=O)NCCN1CC[C@@H](O)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000636834467 1192324937 /nfs/dbraw/zinc/32/49/37/1192324937.db2.gz QRZVLCAFVLNKBP-QRQLOZEOSA-N 0 3 376.501 0.642 20 0 GCADHN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000165466057 1192325837 /nfs/dbraw/zinc/32/58/37/1192325837.db2.gz FKQILONNPINQMV-PBHICJAKSA-N 0 3 378.448 0.675 20 0 GCADHN C[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)CN1CCN(C)CC1 ZINC000636846452 1192327536 /nfs/dbraw/zinc/32/75/36/1192327536.db2.gz JTXKXYOWLRVNQQ-ARFHVFGLSA-N 0 3 389.566 0.030 20 0 GCADHN CN1CCN(CCCNC(=O)N2CCO[C@H](C(N)=O)C2)[C@H](c2ccccc2)C1 ZINC000051685604 1192331681 /nfs/dbraw/zinc/33/16/81/1192331681.db2.gz FGFLJJVUOACQTG-ROUUACIJSA-N 0 3 389.500 0.261 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2nn(C)c(=O)c3ccccc32)CC1 ZINC000728880815 1192345132 /nfs/dbraw/zinc/34/51/32/1192345132.db2.gz HGFVILSVIMVIIA-UHFFFAOYSA-N 0 3 385.468 0.560 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C(N)=O)C2 ZINC001719839710 1192353508 /nfs/dbraw/zinc/35/35/08/1192353508.db2.gz YPMSSNSLOCQEIN-QPSCCSFWSA-N 0 3 379.505 0.508 20 0 GCADHN C[C@@H](CNCC(=O)NC(=O)NC(C)(C)C)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268074961 1192356211 /nfs/dbraw/zinc/35/62/11/1192356211.db2.gz NHTFBWITYVLFGV-RZLSGREXSA-N 0 3 382.505 0.862 20 0 GCADHN CCOC(=O)c1cc(S(=O)(=O)NCCN2CCN(CC)CC2)ccc1F ZINC000278916066 1192359097 /nfs/dbraw/zinc/35/90/97/1192359097.db2.gz WECCXZNUSANHAD-UHFFFAOYSA-N 0 3 387.477 0.918 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCOc2cc(F)ccc2C1 ZINC000637019434 1192367457 /nfs/dbraw/zinc/36/74/57/1192367457.db2.gz MTOJUDYTBKTVHN-QGZVFWFLSA-N 0 3 391.443 0.916 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000637021240 1192368620 /nfs/dbraw/zinc/36/86/20/1192368620.db2.gz YPZIMZGOKLCEQP-QWHCGFSZSA-N 0 3 390.410 0.734 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C[C@](C)(C(F)F)O1 ZINC000663537695 1192378606 /nfs/dbraw/zinc/37/86/06/1192378606.db2.gz ZBIBQKFSYAPHJR-HBUWYVDXSA-N 0 3 391.459 0.827 20 0 GCADHN O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000637085159 1192381504 /nfs/dbraw/zinc/38/15/04/1192381504.db2.gz ALXJJPGSJURECX-ZWKOTPCHSA-N 0 3 378.542 0.970 20 0 GCADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000655529360 1192376348 /nfs/dbraw/zinc/37/63/48/1192376348.db2.gz VTHIKANDLZBGGG-JKSUJKDBSA-N 0 3 389.500 0.510 20 0 GCADHN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000585723085 1192398753 /nfs/dbraw/zinc/39/87/53/1192398753.db2.gz XMCIPBKYBSACGB-AUUYWEPGSA-N 0 3 399.557 0.978 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccccc1Cn1cncn1 ZINC000663595141 1192407177 /nfs/dbraw/zinc/40/71/77/1192407177.db2.gz RTYUXUOZNQBQQF-UHFFFAOYSA-N 0 3 387.488 0.488 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000585777658 1192408757 /nfs/dbraw/zinc/40/87/57/1192408757.db2.gz URQRTRYDAPPAMY-OWCLPIDISA-N 0 3 397.516 0.792 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCC(O)(CO)CC3)cc2)CC1 ZINC000663613472 1192417380 /nfs/dbraw/zinc/41/73/80/1192417380.db2.gz ZZDQDRWAEPIXHH-UHFFFAOYSA-N 0 3 390.528 0.853 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CC(S(C)(=O)=O)C3)cc2)CC1 ZINC000663612958 1192417985 /nfs/dbraw/zinc/41/79/85/1192417985.db2.gz WHHSORGMEYRGER-UHFFFAOYSA-N 0 3 394.541 0.763 20 0 GCADHN CC(C)C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268109745 1192427423 /nfs/dbraw/zinc/42/74/23/1192427423.db2.gz ODCATLXYCMYMKI-LSTDLKDCSA-N 0 3 381.517 0.781 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000663635508 1192431803 /nfs/dbraw/zinc/43/18/03/1192431803.db2.gz QCSMNWBWYFDNKL-UHFFFAOYSA-N 0 3 395.529 0.226 20 0 GCADHN Cc1nc(Cn2cc(C(=O)NCCCCN3C[C@H](C)O[C@@H](C)C3)nn2)no1 ZINC000279007076 1192434490 /nfs/dbraw/zinc/43/44/90/1192434490.db2.gz HFPUVENZLAPCJD-STQMWFEESA-N 0 3 377.449 0.637 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F)N1CCC[C@@H](C)C1 ZINC000637205569 1192437082 /nfs/dbraw/zinc/43/70/82/1192437082.db2.gz JPAHSJNVDBJTIA-UPJWGTAASA-N 0 3 390.410 0.734 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000606070031 1192439188 /nfs/dbraw/zinc/43/91/88/1192439188.db2.gz AQFNMYCMLLXJSG-UHFFFAOYSA-N 0 3 386.456 0.059 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2cnc(C)s2)CC1 ZINC000637228145 1192460790 /nfs/dbraw/zinc/46/07/90/1192460790.db2.gz JVUPKUDFGZIJAS-CYBMUJFWSA-N 0 3 395.529 0.641 20 0 GCADHN CCOC(=O)[C@H]1[C@@H](NCCNC(=O)c2ccn[nH]2)CCN1C(=O)OC(C)(C)C ZINC000279090483 1192462939 /nfs/dbraw/zinc/46/29/39/1192462939.db2.gz UGNXQXBIGSYLHI-GXTWGEPZSA-N 0 3 395.460 0.670 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000432465420 1192465657 /nfs/dbraw/zinc/46/56/57/1192465657.db2.gz SNRYIPFJXKQLOT-ZBFHGGJFSA-N 0 3 388.534 0.163 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000663665787 1192467747 /nfs/dbraw/zinc/46/77/47/1192467747.db2.gz NMMPKWXIQNOLST-UHFFFAOYSA-N 0 3 389.500 0.975 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001745421942 1192483635 /nfs/dbraw/zinc/48/36/35/1192483635.db2.gz YDNFQDPQCKRYNP-LUKYLMHMSA-N 0 3 381.517 0.875 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000279233320 1192491384 /nfs/dbraw/zinc/49/13/84/1192491384.db2.gz RPCNDBPJWHWBHB-HNNXBMFYSA-N 0 3 396.513 0.462 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CNC(=O)COc1ccccc1 ZINC000279250717 1192494985 /nfs/dbraw/zinc/49/49/85/1192494985.db2.gz VJLXYDHMIXAAIO-INIZCTEOSA-N 0 3 375.469 0.893 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000279259608 1192495620 /nfs/dbraw/zinc/49/56/20/1192495620.db2.gz JDGDYAUFERJNPT-FXAWDEMLSA-N 0 3 378.517 0.298 20 0 GCADHN COC(C)(C)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000473228892 1192512611 /nfs/dbraw/zinc/51/26/11/1192512611.db2.gz HLNIRDMSFDSGLV-UHFFFAOYSA-N 0 3 390.484 0.864 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000408365913 1192513231 /nfs/dbraw/zinc/51/32/31/1192513231.db2.gz LZUAVPRHICOZSU-XHSDSOJGSA-N 0 3 390.550 0.071 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000663723312 1192515115 /nfs/dbraw/zinc/51/51/15/1192515115.db2.gz USMSMWYNTOSSDA-INIZCTEOSA-N 0 3 380.514 0.680 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)c3nncn3C)c2)CC1 ZINC000473234462 1192515156 /nfs/dbraw/zinc/51/51/56/1192515156.db2.gz DWOHOEBFOAEWDK-AWEZNQCLSA-N 0 3 385.472 0.773 20 0 GCADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000637374484 1192518693 /nfs/dbraw/zinc/51/86/93/1192518693.db2.gz DPLKVXRAGLVIES-IRXDYDNUSA-N 0 3 381.521 0.223 20 0 GCADHN CCN1CCC[C@@H](CN(C)C(=O)C(=O)N[C@@H]2CCO[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000500450473 1192520843 /nfs/dbraw/zinc/52/08/43/1192520843.db2.gz VPZRZMBWPJIGIY-CWLKWCNXSA-N 0 3 391.516 0.945 20 0 GCADHN O=C(CCn1c(=O)oc2ccccc21)NCCCCN1CCN(CCO)CC1 ZINC000432532569 1192537329 /nfs/dbraw/zinc/53/73/29/1192537329.db2.gz UNWDXXXQGBYLMX-UHFFFAOYSA-N 0 3 390.484 0.491 20 0 GCADHN C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000663757589 1192540210 /nfs/dbraw/zinc/54/02/10/1192540210.db2.gz QNJZDLMRIGVRGX-RCBQFDQVSA-N 0 3 384.502 0.314 20 0 GCADHN O=C(Cn1ccc(C(F)(F)F)n1)NCCCCN1CCN(CCO)CC1 ZINC000432545434 1192548976 /nfs/dbraw/zinc/54/89/76/1192548976.db2.gz IPHWSUHIKHPTPZ-UHFFFAOYSA-N 0 3 377.411 0.408 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000432552248 1192553632 /nfs/dbraw/zinc/55/36/32/1192553632.db2.gz KKPINQYWCJNTAW-UHFFFAOYSA-N 0 3 390.550 0.412 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 ZINC000728906125 1192553700 /nfs/dbraw/zinc/55/37/00/1192553700.db2.gz QMAFJUREZINVBO-SFHVURJKSA-N 0 3 382.530 0.312 20 0 GCADHN CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N1CCCCC1 ZINC001058918851 1192562738 /nfs/dbraw/zinc/56/27/38/1192562738.db2.gz MEIPFULTEGIURX-ZACQAIPSSA-N 0 3 381.517 0.756 20 0 GCADHN CN(CCCCCO)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000279680744 1192576979 /nfs/dbraw/zinc/57/69/79/1192576979.db2.gz GQCZYQXPXMLSSA-UHFFFAOYSA-N 0 3 377.485 0.870 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC000982142106 1192582669 /nfs/dbraw/zinc/58/26/69/1192582669.db2.gz ILJCQKWFOPPGKH-LJISPDSOSA-N 0 3 375.473 0.386 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC000982147522 1192585520 /nfs/dbraw/zinc/58/55/20/1192585520.db2.gz QRDNFYXTCBAJKA-LJISPDSOSA-N 0 3 375.473 0.563 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)C1 ZINC000432609126 1192595628 /nfs/dbraw/zinc/59/56/28/1192595628.db2.gz WHYNLIFKKCHQMJ-GOSISDBHSA-N 0 3 380.420 0.486 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCC(F)(F)C2)CC1 ZINC000512287338 1192599719 /nfs/dbraw/zinc/59/97/19/1192599719.db2.gz HJSRALYXKUATKI-AWEZNQCLSA-N 0 3 388.459 0.551 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000509739229 1192610083 /nfs/dbraw/zinc/61/00/83/1192610083.db2.gz SNNCSGHXGPPIET-INIZCTEOSA-N 0 3 379.505 0.286 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCc2ccc(NC(=O)N(C)C)cc2)CC1=O ZINC000279884425 1192614844 /nfs/dbraw/zinc/61/48/44/1192614844.db2.gz BOKKWKGYJVLEON-HNNXBMFYSA-N 0 3 375.473 0.806 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418632147 1192620971 /nfs/dbraw/zinc/62/09/71/1192620971.db2.gz HCUPIMXUSMVYIK-SZVBFZGTSA-N 0 3 377.485 0.929 20 0 GCADHN O=C(NC[C@H]1NCCc2ccccc21)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000418636959 1192622364 /nfs/dbraw/zinc/62/23/64/1192622364.db2.gz MUHVVCLTQFQAJW-GOSISDBHSA-N 0 3 399.495 0.350 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418637343 1192623134 /nfs/dbraw/zinc/62/31/34/1192623134.db2.gz NINRVOVZLWQGNP-HEHGZKQESA-N 0 3 376.457 0.629 20 0 GCADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](CO)CN2CCCCC2)cc1C ZINC000512355564 1192628090 /nfs/dbraw/zinc/62/80/90/1192628090.db2.gz ZEJOEBYVKKHQLF-QGZVFWFLSA-N 0 3 397.541 0.887 20 0 GCADHN COc1cc2c(c(OC)c1OC)CCN(C(=O)NC[C@H]1CNCCO1)CC2 ZINC000418760683 1192641304 /nfs/dbraw/zinc/64/13/04/1192641304.db2.gz HCGFYOXPLHLVSB-CQSZACIVSA-N 0 3 379.457 0.811 20 0 GCADHN COC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CNCCO3)[C@H](C)C2)cc1 ZINC000418776542 1192642970 /nfs/dbraw/zinc/64/29/70/1192642970.db2.gz XOWKOXCQQXMMIG-RHSMWYFYSA-N 0 3 376.457 0.682 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)C[C@@H](C)N1 ZINC000418810667 1192651549 /nfs/dbraw/zinc/65/15/49/1192651549.db2.gz UTVJOAFKSTXDFL-IAGOWNOFSA-N 0 3 380.533 0.594 20 0 GCADHN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000418812617 1192652901 /nfs/dbraw/zinc/65/29/01/1192652901.db2.gz XGFPEFAQGGTKAO-JKSUJKDBSA-N 0 3 378.448 0.324 20 0 GCADHN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418812612 1192652961 /nfs/dbraw/zinc/65/29/61/1192652961.db2.gz XGFPEFAQGGTKAO-HOTGVXAUSA-N 0 3 378.448 0.324 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C(=O)N1Cc2ccccc2C1 ZINC000418820948 1192654128 /nfs/dbraw/zinc/65/41/28/1192654128.db2.gz FXWUBKAHAPTRGX-WOSRLPQWSA-N 0 3 388.468 0.263 20 0 GCADHN N[C@H](CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827846 1192657872 /nfs/dbraw/zinc/65/78/72/1192657872.db2.gz HIMPOOJYKUDHNQ-WOJBJXKFSA-N 0 3 396.491 0.820 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2CCNC[C@@H]2C)N(C)C)cc1OC ZINC000418836197 1192660524 /nfs/dbraw/zinc/66/05/24/1192660524.db2.gz QTNQPMYYCDNCGK-ZFWWWQNUSA-N 0 3 378.473 0.243 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)C[C@@H]1O ZINC000663825683 1192661806 /nfs/dbraw/zinc/66/18/06/1192661806.db2.gz LOVLFFQDVDZRSG-OALUTQOASA-N 0 3 392.500 0.214 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc2c1OCCCO2 ZINC000418845238 1192664816 /nfs/dbraw/zinc/66/48/16/1192664816.db2.gz NXWARZHFWSWYOA-GXTWGEPZSA-N 0 3 377.441 0.693 20 0 GCADHN Cc1ccc(CCNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c(C)c1 ZINC000418852982 1192666192 /nfs/dbraw/zinc/66/61/92/1192666192.db2.gz WOHOOEZTMRNCRW-SFHVURJKSA-N 0 3 384.484 0.876 20 0 GCADHN CN(CCCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)c1ccccc1 ZINC000418869745 1192672747 /nfs/dbraw/zinc/67/27/47/1192672747.db2.gz XHBJKNOKGXNXPN-SFHVURJKSA-N 0 3 399.499 0.543 20 0 GCADHN COc1cccc([C@H](CNC(=O)C(=O)NCC(F)(F)CN)N2CCCC2)c1 ZINC000418881291 1192678285 /nfs/dbraw/zinc/67/82/85/1192678285.db2.gz WYIVKHPKIYERBG-HNNXBMFYSA-N 0 3 384.427 0.659 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cncn1 ZINC000418879135 1192674750 /nfs/dbraw/zinc/67/47/50/1192674750.db2.gz BMKCYRLSEKBZBE-CJNGLKHVSA-N 0 3 386.456 0.172 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCSc3ccccc3)C2)nn1 ZINC000418917977 1192689273 /nfs/dbraw/zinc/68/92/73/1192689273.db2.gz UTCFABFWRZQEFR-OAHLLOKOSA-N 0 3 388.497 0.809 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1 ZINC000418912798 1192689395 /nfs/dbraw/zinc/68/93/95/1192689395.db2.gz NBPWYIGDHWTHRG-FQEVSTJZSA-N 0 3 396.491 0.951 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000418939284 1192697935 /nfs/dbraw/zinc/69/79/35/1192697935.db2.gz FNBLNVKCUQABHH-DOMZBBRYSA-N 0 3 394.447 0.291 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000418946284 1192698358 /nfs/dbraw/zinc/69/83/58/1192698358.db2.gz LEUFDNSJCHZCPF-WMLDXEAASA-N 0 3 375.425 0.130 20 0 GCADHN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418949287 1192699308 /nfs/dbraw/zinc/69/93/08/1192699308.db2.gz NWGKYMGGGXUKCF-VXGBXAGGSA-N 0 3 389.374 0.694 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(C)CC[C@@H]2C)[C@@H](C)O)cc1 ZINC000500681469 1192702349 /nfs/dbraw/zinc/70/23/49/1192702349.db2.gz OGBXNVPRFDRZKZ-UXLLHSPISA-N 0 3 383.514 0.575 20 0 GCADHN Cc1nn(C)c(C)c1[C@H]1[C@H](NC[C@H](O)COCC(F)(F)F)CC(=O)N1C ZINC000432787424 1192707461 /nfs/dbraw/zinc/70/74/61/1192707461.db2.gz SGBXUMCTJJAMAI-YWPYICTPSA-N 0 3 378.395 0.838 20 0 GCADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCCN2CC[NH2+]CC2)ccc1F ZINC000236736268 1192715483 /nfs/dbraw/zinc/71/54/83/1192715483.db2.gz SHGYZXCNOJECBI-UHFFFAOYSA-N 0 3 386.493 0.538 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000419012666 1192717590 /nfs/dbraw/zinc/71/75/90/1192717590.db2.gz FXQDIJLYOIANDZ-GRDNDAEWSA-N 0 3 392.475 0.997 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(OCC(F)(F)F)cc1 ZINC000419022808 1192725037 /nfs/dbraw/zinc/72/50/37/1192725037.db2.gz ISPSIAYEFVXDLF-BXUZGUMPSA-N 0 3 389.374 0.910 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1 ZINC000112917137 1192731211 /nfs/dbraw/zinc/73/12/11/1192731211.db2.gz BEHDKXQMMFXLDR-CVEARBPZSA-N 0 3 386.500 0.467 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1 ZINC000112917136 1192731326 /nfs/dbraw/zinc/73/13/26/1192731326.db2.gz BEHDKXQMMFXLDR-HOTGVXAUSA-N 0 3 386.500 0.467 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000419043932 1192737946 /nfs/dbraw/zinc/73/79/46/1192737946.db2.gz ONYMZLPVMDKMGT-DGCLKSJQSA-N 0 3 384.839 0.279 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)nc(C)n1 ZINC000419045564 1192742208 /nfs/dbraw/zinc/74/22/08/1192742208.db2.gz WNLVQYDJHHVSBK-SFHVURJKSA-N 0 3 396.495 0.995 20 0 GCADHN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000509756137 1192743746 /nfs/dbraw/zinc/74/37/46/1192743746.db2.gz QSXSEVBXAAWBTR-ZDUSSCGKSA-N 0 3 392.456 0.172 20 0 GCADHN C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000410609347 1192751164 /nfs/dbraw/zinc/75/11/64/1192751164.db2.gz QMFUNLOONXJTCH-NTDBWNAOSA-N 0 3 395.544 0.954 20 0 GCADHN CC(C)N(C)C(=O)C1CCN(C(=O)CSc2nnnn2CCN(C)C)CC1 ZINC000614069173 1192753222 /nfs/dbraw/zinc/75/32/22/1192753222.db2.gz PPZOKCRMEQJBSC-UHFFFAOYSA-N 0 3 397.549 0.432 20 0 GCADHN COc1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1F ZINC000655537455 1192755397 /nfs/dbraw/zinc/75/53/97/1192755397.db2.gz IFCIQJNGRVINLH-ZDUSSCGKSA-N 0 3 385.461 0.761 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@H](N)Cc3ccccc3)CC2)cn1 ZINC000237701889 1192759527 /nfs/dbraw/zinc/75/95/27/1192759527.db2.gz XOPVJXJVHCEKPZ-QGZVFWFLSA-N 0 3 391.497 0.259 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)C2CCC(CO)CC2)CC1 ZINC000410618873 1192761408 /nfs/dbraw/zinc/76/14/08/1192761408.db2.gz GEJQDFUBBLRWST-UHFFFAOYSA-N 0 3 396.532 0.009 20 0 GCADHN Cc1cc(F)ccc1CCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419064628 1192762274 /nfs/dbraw/zinc/76/22/74/1192762274.db2.gz OYTWYLOFFQWEGW-KRWDZBQOSA-N 0 3 388.447 0.707 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(OC)c(O)c(OC)c2)CC1=O ZINC000644894095 1192762549 /nfs/dbraw/zinc/76/25/49/1192762549.db2.gz HECVAXRFTHQXGA-AWEZNQCLSA-N 0 3 395.456 0.318 20 0 GCADHN N[C@@H](CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000237883453 1192768963 /nfs/dbraw/zinc/76/89/63/1192768963.db2.gz CERBJTFSPZSSSK-KRWDZBQOSA-N 0 3 382.468 0.722 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000419073554 1192769427 /nfs/dbraw/zinc/76/94/27/1192769427.db2.gz MXNZGSOEFDQING-DGCLKSJQSA-N 0 3 379.413 0.140 20 0 GCADHN O=C(CN1CCN(C(=O)CNC[C@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000237926007 1192771650 /nfs/dbraw/zinc/77/16/50/1192771650.db2.gz ZJADXZRLIOCEJU-GOSISDBHSA-N 0 3 386.496 0.489 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(CN3CCCC3)on2)CC1=O ZINC000644895029 1192775950 /nfs/dbraw/zinc/77/59/50/1192775950.db2.gz UQFCFJMUMBJAAD-HNNXBMFYSA-N 0 3 393.488 0.179 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000509723256 1192779982 /nfs/dbraw/zinc/77/99/82/1192779982.db2.gz WXGXDGPSWRHHQD-ZDUSSCGKSA-N 0 3 382.427 0.166 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)N1CCO[C@H](C(N)=O)C1)c1cccc(OC)c1 ZINC000051680667 1192781280 /nfs/dbraw/zinc/78/12/80/1192781280.db2.gz NLFSUDHRRBVERX-IRXDYDNUSA-N 0 3 378.473 0.974 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000509723833 1192782446 /nfs/dbraw/zinc/78/24/46/1192782446.db2.gz HBDJWPDRSWHFPI-NRFANRHFSA-N 0 3 391.512 0.624 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000051684351 1192784461 /nfs/dbraw/zinc/78/44/61/1192784461.db2.gz FMUMOMQSCWFXLV-SFHVURJKSA-N 0 3 389.500 0.220 20 0 GCADHN C[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)[C@H]1CN ZINC000419097891 1192785218 /nfs/dbraw/zinc/78/52/18/1192785218.db2.gz QFIVEAQWVHEWSL-DOMZBBRYSA-N 0 3 385.461 0.301 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N(CC2CC2)CC2CC2)CC1 ZINC000410645186 1192785972 /nfs/dbraw/zinc/78/59/72/1192785972.db2.gz IAXXHORGSQTMIK-QGZVFWFLSA-N 0 3 376.501 0.400 20 0 GCADHN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)C(=O)N1CCCNCC1 ZINC000419102331 1192786461 /nfs/dbraw/zinc/78/64/61/1192786461.db2.gz DZBAQZQHMZIAPN-ZDUSSCGKSA-N 0 3 398.385 0.749 20 0 GCADHN O=C(NCc1ccnc(Oc2ccccc2F)c1)C(=O)NC[C@H]1CNCCO1 ZINC000419104341 1192791898 /nfs/dbraw/zinc/79/18/98/1192791898.db2.gz GWGSLLDTXYZDSN-CQSZACIVSA-N 0 3 388.399 0.734 20 0 GCADHN O=C(NCc1ccnc(Oc2ccccc2F)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419104339 1192791536 /nfs/dbraw/zinc/79/15/36/1192791536.db2.gz GWGSLLDTXYZDSN-AWEZNQCLSA-N 0 3 388.399 0.734 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000419120185 1192793883 /nfs/dbraw/zinc/79/38/83/1192793883.db2.gz TUKLZBJYQUXEHC-PBHICJAKSA-N 0 3 385.468 0.760 20 0 GCADHN CC(C)C[C@@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)N1CCOCC1 ZINC000419124498 1192796204 /nfs/dbraw/zinc/79/62/04/1192796204.db2.gz XKAVLUKVFVLDQG-ROUUACIJSA-N 0 3 376.501 0.666 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000419125045 1192796890 /nfs/dbraw/zinc/79/68/90/1192796890.db2.gz YSIGBSJVWGWXOJ-GDBMZVCRSA-N 0 3 389.500 0.917 20 0 GCADHN CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419127543 1192797292 /nfs/dbraw/zinc/79/72/92/1192797292.db2.gz RAYLWSDXQCTDSY-SFHVURJKSA-N 0 3 382.464 0.968 20 0 GCADHN O=C(NCc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000419112954 1192799883 /nfs/dbraw/zinc/79/98/83/1192799883.db2.gz GHIHEAJTZDWJCI-CYBMUJFWSA-N 0 3 375.347 0.349 20 0 GCADHN CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)N1CCOCC1 ZINC000419117305 1192801567 /nfs/dbraw/zinc/80/15/67/1192801567.db2.gz MEIDQALFVTZVMH-OIISXLGYSA-N 0 3 398.548 0.469 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)[C@H]1CO ZINC000410670225 1192804096 /nfs/dbraw/zinc/80/40/96/1192804096.db2.gz DSIFLQUKZIPQSS-FAJBIJEISA-N 0 3 395.544 0.954 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1nccn1Cc1ccccc1 ZINC000419129822 1192805405 /nfs/dbraw/zinc/80/54/05/1192805405.db2.gz YPLWUCWQMSJJOC-WBVHZDCISA-N 0 3 399.495 0.819 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CCN(c2nccs2)CC1 ZINC000419131267 1192805802 /nfs/dbraw/zinc/80/58/02/1192805802.db2.gz CGNHFRBYEQMYNC-DGCLKSJQSA-N 0 3 381.502 0.457 20 0 GCADHN Cc1cccc(N2CCC(NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)n1 ZINC000419136738 1192809913 /nfs/dbraw/zinc/80/99/13/1192809913.db2.gz PNWKVRGXCMLSNM-HOCLYGCPSA-N 0 3 389.500 0.704 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCCNCC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000419151944 1192810967 /nfs/dbraw/zinc/81/09/67/1192810967.db2.gz MWYGXVDBJWGJBQ-QZTJIDSGSA-N 0 3 384.484 0.893 20 0 GCADHN COc1ccc(CCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000419144553 1192814147 /nfs/dbraw/zinc/81/41/47/1192814147.db2.gz FRXKHHALBRKOPY-ZFWWWQNUSA-N 0 3 393.484 0.982 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC000419145848 1192815076 /nfs/dbraw/zinc/81/50/76/1192815076.db2.gz LGXXURURWMLLMI-LBPRGKRZSA-N 0 3 396.373 0.840 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC000419145847 1192815562 /nfs/dbraw/zinc/81/55/62/1192815562.db2.gz LGXXURURWMLLMI-GFCCVEGCSA-N 0 3 396.373 0.840 20 0 GCADHN CCSCC[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000500831761 1192817790 /nfs/dbraw/zinc/81/77/90/1192817790.db2.gz XDZXFIBEKIHKGB-CABCVRRESA-N 0 3 384.546 0.399 20 0 GCADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)n2C ZINC000419165122 1192822894 /nfs/dbraw/zinc/82/28/94/1192822894.db2.gz FTNAABQOFHRVLF-RISCZKNCSA-N 0 3 389.456 0.427 20 0 GCADHN COc1ccc(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000419158943 1192818207 /nfs/dbraw/zinc/81/82/07/1192818207.db2.gz WUVNKBFRJBXEJO-HIFRSBDPSA-N 0 3 379.457 0.103 20 0 GCADHN NCC(F)(F)CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000419161086 1192819997 /nfs/dbraw/zinc/81/99/97/1192819997.db2.gz CTTXSNMSGOPWMR-HNNXBMFYSA-N 0 3 384.427 0.104 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(OCC2CC2)c(F)c1 ZINC000419160779 1192820240 /nfs/dbraw/zinc/82/02/40/1192820240.db2.gz IAHVGVVYPQTSGV-DOMZBBRYSA-N 0 3 379.432 0.896 20 0 GCADHN CCn1c(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)nc2ccccc21 ZINC000419164086 1192821303 /nfs/dbraw/zinc/82/13/03/1192821303.db2.gz YDDFYFMMEFEAEU-HIFRSBDPSA-N 0 3 387.484 0.944 20 0 GCADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893722521 1192822490 /nfs/dbraw/zinc/82/24/90/1192822490.db2.gz HGRSEGJWGNPVBO-RRFJBIMHSA-N 0 3 388.534 0.369 20 0 GCADHN CCC1(CC)[C@H](N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)[C@@H]1OC ZINC000245580243 1192843525 /nfs/dbraw/zinc/84/35/25/1192843525.db2.gz BDCSFDYDHUXOJK-FKGLVLAHSA-N 0 3 380.489 0.667 20 0 GCADHN CCC1(CC)[C@H](N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H](C)[C@H]1OC ZINC000245580249 1192843542 /nfs/dbraw/zinc/84/35/42/1192843542.db2.gz BDCSFDYDHUXOJK-YIKOMLBNSA-N 0 3 380.489 0.667 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000245862606 1192845375 /nfs/dbraw/zinc/84/53/75/1192845375.db2.gz RPGOCIBEXHKVLZ-WSTZPKSXSA-N 0 3 394.560 0.887 20 0 GCADHN COC(=O)c1cccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419205547 1192851234 /nfs/dbraw/zinc/85/12/34/1192851234.db2.gz JCJKFZFIBDNUTC-IUODEOHRSA-N 0 3 377.441 0.361 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000893741316 1192847570 /nfs/dbraw/zinc/84/75/70/1192847570.db2.gz OIVKKGAIBJFGCN-IAGOWNOFSA-N 0 3 382.505 0.255 20 0 GCADHN CCNC(=O)c1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419205315 1192854495 /nfs/dbraw/zinc/85/44/95/1192854495.db2.gz JWDLXCWNTUXWER-DOMZBBRYSA-N 0 3 376.457 0.282 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCc2cc(F)ccc21 ZINC000549709794 1192856787 /nfs/dbraw/zinc/85/67/87/1192856787.db2.gz NZTFXCHMIUCAFG-UHFFFAOYSA-N 0 3 392.475 0.221 20 0 GCADHN C[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)NCCN1CCCCC1 ZINC000549726841 1192862011 /nfs/dbraw/zinc/86/20/11/1192862011.db2.gz OLFVLCRGZOVFFE-OAHLLOKOSA-N 0 3 385.472 0.312 20 0 GCADHN CCN(CC)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cn1 ZINC000047962009 1192865365 /nfs/dbraw/zinc/86/53/65/1192865365.db2.gz UBXUWXZZTSUFGZ-UHFFFAOYSA-N 0 3 376.505 0.620 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCCN(C)C3=O)c2)CC1 ZINC000473378798 1192881385 /nfs/dbraw/zinc/88/13/85/1192881385.db2.gz ZTTAYOSLBSIAEK-QGZVFWFLSA-N 0 3 387.484 0.504 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)Cn3cccn3)C2)CC1 ZINC000549808548 1192888823 /nfs/dbraw/zinc/88/88/23/1192888823.db2.gz GPLKIWBWBHJIHH-DLBZAZTESA-N 0 3 376.505 0.015 20 0 GCADHN C[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000575238498 1192901768 /nfs/dbraw/zinc/90/17/68/1192901768.db2.gz IFRGODIBAQDZPQ-QZTJIDSGSA-N 0 3 382.549 0.578 20 0 GCADHN C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)NCC(F)(F)CN)cc2)C[C@@H](C)O1 ZINC000419217291 1192915402 /nfs/dbraw/zinc/91/54/02/1192915402.db2.gz QIIYTVCHGFEHGM-ZIAGYGMSSA-N 0 3 398.454 0.622 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)CCN1CCOC ZINC000410922118 1192915517 /nfs/dbraw/zinc/91/55/17/1192915517.db2.gz BNWGOZVPNKRUSQ-ROUUACIJSA-N 0 3 378.517 0.418 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccn([C@H](C)COC)n2)CC1 ZINC000432968532 1192921437 /nfs/dbraw/zinc/92/14/37/1192921437.db2.gz ZTWHBFOSJAOLOD-OAHLLOKOSA-N 0 3 380.493 1.108 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCOc2cccc(F)c2C1 ZINC000411002164 1192923797 /nfs/dbraw/zinc/92/37/97/1192923797.db2.gz NZFAOKKHRXWJAH-UHFFFAOYSA-N 0 3 392.475 0.643 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(C)c1 ZINC000274491222 1184075845 /nfs/dbraw/zinc/07/58/45/1184075845.db2.gz SNTYFRQIDDOVMO-UHFFFAOYSA-N 0 3 378.473 0.201 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3cncnc3N)c2)CC1 ZINC000274493213 1184076194 /nfs/dbraw/zinc/07/61/94/1184076194.db2.gz HULFBEFTWVRIRD-UHFFFAOYSA-N 0 3 383.456 0.456 20 0 GCADHN CCN(CCO)CCNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000274514493 1184083816 /nfs/dbraw/zinc/08/38/16/1184083816.db2.gz HVZPLHNKEXUGTL-UHFFFAOYSA-N 0 3 377.485 0.734 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCc1cn2c(n1)SCC2 ZINC000274518844 1184084958 /nfs/dbraw/zinc/08/49/58/1184084958.db2.gz WGLCJZZRONPQTI-HNNXBMFYSA-N 0 3 394.545 0.773 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCCC(=O)NC)c2)CC1 ZINC000274532933 1184089177 /nfs/dbraw/zinc/08/91/77/1184089177.db2.gz PXMMHABFJQWHRX-UHFFFAOYSA-N 0 3 375.473 0.409 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)CCCC(=O)NC)c2)CC1 ZINC000274540468 1184092098 /nfs/dbraw/zinc/09/20/98/1184092098.db2.gz RNJGURAXVUAKHN-UHFFFAOYSA-N 0 3 389.500 0.752 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCCOCCO)c2)CC1 ZINC000274541528 1184092142 /nfs/dbraw/zinc/09/21/42/1184092142.db2.gz RWHPMNIMICRVQL-UHFFFAOYSA-N 0 3 378.473 0.282 20 0 GCADHN CCOC(=O)c1ccccc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000274543132 1184093085 /nfs/dbraw/zinc/09/30/85/1184093085.db2.gz SEBQZAHNEPOJAJ-OAHLLOKOSA-N 0 3 390.484 0.944 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)ccc1OC ZINC000274552561 1184097200 /nfs/dbraw/zinc/09/72/00/1184097200.db2.gz HLMHWQRRBFRDLV-AWEZNQCLSA-N 0 3 398.529 0.359 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000274562377 1184099578 /nfs/dbraw/zinc/09/95/78/1184099578.db2.gz PDYPCLRNRIUZKT-MRXNPFEDSA-N 0 3 383.514 0.518 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000274562373 1184099818 /nfs/dbraw/zinc/09/98/18/1184099818.db2.gz PDYPCLRNRIUZKT-INIZCTEOSA-N 0 3 383.514 0.518 20 0 GCADHN Cc1csc(Cc2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2C)n1 ZINC000579712615 1184103427 /nfs/dbraw/zinc/10/34/27/1184103427.db2.gz XCILLODLUCWCLF-UHFFFAOYSA-N 0 3 389.529 0.915 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000274572533 1184107318 /nfs/dbraw/zinc/10/73/18/1184107318.db2.gz ZHQXYHUGZYLVGR-HNNXBMFYSA-N 0 3 390.484 0.862 20 0 GCADHN COc1ccc(C(=O)NCC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1OC ZINC000274581173 1184109956 /nfs/dbraw/zinc/10/99/56/1184109956.db2.gz HERGECKQZAYVCQ-HNNXBMFYSA-N 0 3 392.500 0.576 20 0 GCADHN CS(=O)(=O)N[C@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116833327 1184111495 /nfs/dbraw/zinc/11/14/95/1184111495.db2.gz BSEOWWMLPDGOTK-KRWDZBQOSA-N 0 3 394.541 0.739 20 0 GCADHN COCCOc1ncccc1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000274606714 1184117837 /nfs/dbraw/zinc/11/78/37/1184117837.db2.gz SLBDSWJGBAMCMF-MRXNPFEDSA-N 0 3 379.505 0.932 20 0 GCADHN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579735368 1184121142 /nfs/dbraw/zinc/12/11/42/1184121142.db2.gz ZCAHGIRISSBCOL-KLZNWCGWSA-N 0 3 375.473 0.702 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000654781961 1184139755 /nfs/dbraw/zinc/13/97/55/1184139755.db2.gz BABVZLBPOIHLGJ-INIZCTEOSA-N 0 3 388.578 0.438 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000616368330 1184145876 /nfs/dbraw/zinc/14/58/76/1184145876.db2.gz PYNDDBWBDBHYSI-OAHLLOKOSA-N 0 3 385.472 0.348 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C[C@@H](C)O1 ZINC000274650811 1184148275 /nfs/dbraw/zinc/14/82/75/1184148275.db2.gz LZUREIGXNGTWPM-HUUCEWRRSA-N 0 3 398.529 0.951 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 ZINC000274653126 1184150365 /nfs/dbraw/zinc/15/03/65/1184150365.db2.gz NQEPNWFZDZVFAQ-GOSISDBHSA-N 0 3 396.557 0.761 20 0 GCADHN CN(C)c1ncnc2c1cc(C(=O)NCC(=O)NCCN1CCCCC1)n2C ZINC000909320718 1184166513 /nfs/dbraw/zinc/16/65/13/1184166513.db2.gz IXHISWOLXKWKCK-UHFFFAOYSA-N 0 3 387.488 0.366 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCN(c2nc(N)ns2)CC1)c1ccccc1 ZINC000274672375 1184176187 /nfs/dbraw/zinc/17/61/87/1184176187.db2.gz SWRNGYLULKSIJC-HNNXBMFYSA-N 0 3 389.529 0.661 20 0 GCADHN COc1coc(CN[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cc1=O ZINC001020423944 1184192846 /nfs/dbraw/zinc/19/28/46/1184192846.db2.gz YDZNKVDFQGNUNY-BPTYRPCHSA-N 0 3 378.425 0.437 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000274702661 1184202516 /nfs/dbraw/zinc/20/25/16/1184202516.db2.gz YQAZGZWBIROVRU-KBPBESRZSA-N 0 3 384.502 0.609 20 0 GCADHN CN1CCN(Cc2ccc(C(=O)N[C@H]3CCN(c4cc(=O)[nH]cn4)C3)cc2)CC1 ZINC000890531463 1184209475 /nfs/dbraw/zinc/20/94/75/1184209475.db2.gz FQKROYWFMSFYCE-SFHVURJKSA-N 0 3 396.495 0.938 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 ZINC000274712558 1184209794 /nfs/dbraw/zinc/20/97/94/1184209794.db2.gz QQQCAWXGKLZBJE-MSOLQXFVSA-N 0 3 393.484 0.843 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1=O ZINC000430179086 1184212080 /nfs/dbraw/zinc/21/20/80/1184212080.db2.gz NJWRFUBAPIQMBF-WRWLIDTKSA-N 0 3 377.460 0.818 20 0 GCADHN COCCn1c(N)c(C(=O)CN2CCC[C@@H]2C2CCCCC2)c(=O)[nH]c1=O ZINC000053211826 1184216298 /nfs/dbraw/zinc/21/62/98/1184216298.db2.gz OJVOLNSYRPXWHF-CQSZACIVSA-N 0 3 378.473 0.993 20 0 GCADHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000510069650 1184218168 /nfs/dbraw/zinc/21/81/68/1184218168.db2.gz DOTZZQASGRQHSZ-SNVBAGLBSA-N 0 3 399.502 0.001 20 0 GCADHN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1C ZINC000654948272 1184219114 /nfs/dbraw/zinc/21/91/14/1184219114.db2.gz AIOXRHSDSRBYMC-KGLIPLIRSA-N 0 3 376.461 0.009 20 0 GCADHN NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000654947776 1184219177 /nfs/dbraw/zinc/21/91/77/1184219177.db2.gz VGJFBOUZYNGELJ-CABCVRRESA-N 0 3 398.460 0.545 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000654949483 1184220908 /nfs/dbraw/zinc/22/09/08/1184220908.db2.gz VNBJQTOHBLICLF-HZPDHXFCSA-N 0 3 394.497 0.666 20 0 GCADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000654946557 1184222095 /nfs/dbraw/zinc/22/20/95/1184222095.db2.gz LCRNGYCPDJNVEU-KBPBESRZSA-N 0 3 376.461 0.043 20 0 GCADHN COCCNCC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000430185218 1184222258 /nfs/dbraw/zinc/22/22/58/1184222258.db2.gz CZIBVPHKGOZGAT-HNNXBMFYSA-N 0 3 383.514 0.959 20 0 GCADHN C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)COC3CNC3)cc2)C1 ZINC000430187983 1184226887 /nfs/dbraw/zinc/22/68/87/1184226887.db2.gz QZGOIQJXQBLCHJ-AWEZNQCLSA-N 0 3 381.498 0.712 20 0 GCADHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)NC(=O)NCc1ccccc1 ZINC000510075476 1184232400 /nfs/dbraw/zinc/23/24/00/1184232400.db2.gz ZTVMUSPGPGVNSM-LBPRGKRZSA-N 0 3 377.474 0.741 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)C[C@H](C)O1 ZINC000363658783 1184232940 /nfs/dbraw/zinc/23/29/40/1184232940.db2.gz FIDXLQNMEHUTLO-OKILXGFUSA-N 0 3 380.489 0.665 20 0 GCADHN CC(C)[C@H](CNc1cc(N2CCN(C)C(=O)C2)ncn1)N1CCN(C)CC1 ZINC000274737876 1184234728 /nfs/dbraw/zinc/23/47/28/1184234728.db2.gz JIRNWBVCDJGPGI-INIZCTEOSA-N 0 3 375.521 0.439 20 0 GCADHN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1CNCCO1 ZINC000579815574 1184253733 /nfs/dbraw/zinc/25/37/33/1184253733.db2.gz MCZPULDJMUJPIN-QGZVFWFLSA-N 0 3 381.908 0.750 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cc(F)c(N2CCOCC2)c(F)c1 ZINC000655074299 1184275777 /nfs/dbraw/zinc/27/57/77/1184275777.db2.gz NXFVTMMYIZLMRG-LJQANCHMSA-N 0 3 381.423 0.988 20 0 GCADHN CN1CCN(CCCCNC(=O)NCCNC(=O)c2ccc(F)cc2)CC1 ZINC000066384300 1184276235 /nfs/dbraw/zinc/27/62/35/1184276235.db2.gz GKEKHJJTWUQDQV-UHFFFAOYSA-N 0 3 379.480 0.882 20 0 GCADHN COc1ccc([C@H]2[C@H](C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CCC(=O)N2C)cc1 ZINC000655094460 1184282555 /nfs/dbraw/zinc/28/25/55/1184282555.db2.gz HRFUFGJUPVBPFB-DFEOGRTESA-N 0 3 375.469 0.738 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccsc1 ZINC000047108254 1184289823 /nfs/dbraw/zinc/28/98/23/1184289823.db2.gz OIBGRDGQUAHTSW-HNNXBMFYSA-N 0 3 399.542 0.959 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)NCCCN3C(=O)CNC3=O)c2)CC1 ZINC000274778326 1184299049 /nfs/dbraw/zinc/29/90/49/1184299049.db2.gz FDQINCKONMLFCR-UHFFFAOYSA-N 0 3 388.472 0.892 20 0 GCADHN CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000683219984 1184301137 /nfs/dbraw/zinc/30/11/37/1184301137.db2.gz IPUZKMQRMKKRSM-MSOLQXFVSA-N 0 3 395.525 0.818 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)CCNC(=O)c3[nH]nc4ccccc43)C2)nn1 ZINC000579836326 1184310306 /nfs/dbraw/zinc/31/03/06/1184310306.db2.gz GJRZHBJRJGYOFZ-CQSZACIVSA-N 0 3 396.455 0.597 20 0 GCADHN CC1CCN(C(=O)CN[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1 ZINC000969432114 1184310793 /nfs/dbraw/zinc/31/07/93/1184310793.db2.gz YTVDDQLYQSDFGB-MJQMVNBJSA-N 0 3 379.501 0.487 20 0 GCADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCCCCC1 ZINC000969431826 1184310825 /nfs/dbraw/zinc/31/08/25/1184310825.db2.gz MBIKZYZIXZJZAT-MJQMVNBJSA-N 0 3 379.501 0.631 20 0 GCADHN CCOC(=O)Cn1cccc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)c1=O ZINC000274792304 1184313491 /nfs/dbraw/zinc/31/34/91/1184313491.db2.gz IILBXMBGXSEDJV-OAHLLOKOSA-N 0 3 393.488 0.559 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@@H]1O)N1CCCC1 ZINC000969508791 1184332701 /nfs/dbraw/zinc/33/27/01/1184332701.db2.gz QPPYOXHSJVPZDD-MLHJIOFPSA-N 0 3 393.528 0.611 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000547699914 1184343939 /nfs/dbraw/zinc/34/39/39/1184343939.db2.gz WFVVXDRYWRDDPZ-GOSISDBHSA-N 0 3 394.541 0.810 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000655273261 1184344845 /nfs/dbraw/zinc/34/48/45/1184344845.db2.gz LJYZIBBQPMOJQO-LSDHHAIUSA-N 0 3 385.530 0.355 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1 ZINC000655274002 1184347031 /nfs/dbraw/zinc/34/70/31/1184347031.db2.gz VSMAEWASDQMFBY-UHFFFAOYSA-N 0 3 376.461 0.628 20 0 GCADHN C[C@H](c1cccnc1)N1C(=O)C[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000066585298 1184376011 /nfs/dbraw/zinc/37/60/11/1184376011.db2.gz DNBBQVLTFZJAFF-SJLPKXTDSA-N 0 3 399.495 0.510 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OCC ZINC000579860272 1184379253 /nfs/dbraw/zinc/37/92/53/1184379253.db2.gz BHUFUKSJTPPZPF-OCCSQVGLSA-N 0 3 383.470 0.417 20 0 GCADHN C[C@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000579861585 1184383563 /nfs/dbraw/zinc/38/35/63/1184383563.db2.gz ZEZVSPBMXSTWKE-IRXDYDNUSA-N 0 3 395.548 0.036 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000154355864 1184387708 /nfs/dbraw/zinc/38/77/08/1184387708.db2.gz IAYMCPNPJLQURH-WMLDXEAASA-N 0 3 379.480 0.925 20 0 GCADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CCC(C)(C)C)C[C@@H]32)O1 ZINC001083191734 1184390557 /nfs/dbraw/zinc/39/05/57/1184390557.db2.gz OJLOWXRRZJSULP-MWDXBVQZSA-N 0 3 381.517 0.970 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cnn(CC(C)C)c2)CC1 ZINC000154443179 1184396582 /nfs/dbraw/zinc/39/65/82/1184396582.db2.gz VADWNYGMZBWDSI-INIZCTEOSA-N 0 3 378.521 0.867 20 0 GCADHN CCOC(=O)Cc1nnc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)s1 ZINC000274835130 1184397782 /nfs/dbraw/zinc/39/77/82/1184397782.db2.gz SEBVDGIFEYIIPM-LBPRGKRZSA-N 0 3 384.506 0.791 20 0 GCADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCc2n[nH]c(=O)cc2C1 ZINC000274867703 1184409452 /nfs/dbraw/zinc/40/94/52/1184409452.db2.gz JUMVGYWZPDFHFI-YJBOKZPZSA-N 0 3 381.480 0.907 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC3(C(=O)OC)CC3)c2)CC1 ZINC000274971009 1184442626 /nfs/dbraw/zinc/44/26/26/1184442626.db2.gz HYNLTTJQHYJXSG-UHFFFAOYSA-N 0 3 388.468 0.836 20 0 GCADHN O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000274981669 1184444813 /nfs/dbraw/zinc/44/48/13/1184444813.db2.gz KGIQUIQXZPHAMO-FQEVSTJZSA-N 0 3 399.539 0.622 20 0 GCADHN O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000274981673 1184444968 /nfs/dbraw/zinc/44/49/68/1184444968.db2.gz KGIQUIQXZPHAMO-HXUWFJFHSA-N 0 3 399.539 0.622 20 0 GCADHN COCCN1CCC(NC(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000274998522 1184453135 /nfs/dbraw/zinc/45/31/35/1184453135.db2.gz VXZCTMHFURVXAK-UHFFFAOYSA-N 0 3 377.489 0.828 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(-c2ccccc2F)n1)CN1CCN(C)CC1 ZINC000154727781 1184464507 /nfs/dbraw/zinc/46/45/07/1184464507.db2.gz INSKGARQRHVDCR-OAHLLOKOSA-N 0 3 387.459 0.985 20 0 GCADHN CN(C(=O)COc1ccc(C(N)=O)cc1)C1CCN(CCn2cccn2)CC1 ZINC000109292984 1184480452 /nfs/dbraw/zinc/48/04/52/1184480452.db2.gz GVTKANHBDHVECR-UHFFFAOYSA-N 0 3 385.468 0.984 20 0 GCADHN COCCNc1nc(NC[C@@H]2CC[C@@H](C)O2)nc(NC[C@@H]2CC[C@H](C)O2)n1 ZINC000413373020 1184481752 /nfs/dbraw/zinc/48/17/52/1184481752.db2.gz GQOQIGAOWOQFCP-XGUBFFRZSA-N 0 3 380.493 0.154 20 0 GCADHN c1n[nH]cc1-c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@H]1CCOC1 ZINC000625167470 1184482559 /nfs/dbraw/zinc/48/25/59/1184482559.db2.gz MVPCSOVSDZLWTA-HOTGVXAUSA-N 0 3 387.488 0.863 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000430295619 1184484012 /nfs/dbraw/zinc/48/40/12/1184484012.db2.gz HJJDBMGKPBXPCR-ZWKOTPCHSA-N 0 3 375.469 0.980 20 0 GCADHN Cc1c([C@H]2[C@H](C(=O)NCCCCN3CCN(C)CC3)CC(=O)N2C)cnn1C ZINC000683303882 1184514642 /nfs/dbraw/zinc/51/46/42/1184514642.db2.gz NGOQKBYRTNKHBB-VQIMIIECSA-N 0 3 390.532 0.392 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2c(C)nn(C)c2-n2cccn2)CC1 ZINC000275117405 1184524166 /nfs/dbraw/zinc/52/41/66/1184524166.db2.gz IEUDLYJGXYSGAW-UHFFFAOYSA-N 0 3 388.472 0.919 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)CC1=O ZINC000275149366 1184535412 /nfs/dbraw/zinc/53/54/12/1184535412.db2.gz RTEAERATDMWXBC-ZDUSSCGKSA-N 0 3 395.891 0.910 20 0 GCADHN COCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCN(C)C3CC3)ccc21 ZINC000275229350 1184559594 /nfs/dbraw/zinc/55/95/94/1184559594.db2.gz FDHHOSSEVBNABB-UHFFFAOYSA-N 0 3 388.468 0.761 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246322222 1184579294 /nfs/dbraw/zinc/57/92/94/1184579294.db2.gz CTYGZRMSQLKAQW-QKCSRTOESA-N 0 3 383.518 0.445 20 0 GCADHN CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000155341541 1184622697 /nfs/dbraw/zinc/62/26/97/1184622697.db2.gz SXLZPJBLMVCRHM-WFASDCNBSA-N 0 3 379.486 0.769 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1C(N)=O ZINC000510229853 1184624276 /nfs/dbraw/zinc/62/42/76/1184624276.db2.gz QSXGHZZEJCHATR-HNNXBMFYSA-N 0 3 376.457 0.602 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275353162 1184624942 /nfs/dbraw/zinc/62/49/42/1184624942.db2.gz VCJLYYDCFRECTD-OLMNPRSZSA-N 0 3 389.500 0.347 20 0 GCADHN CCOc1cc2c(cc1NC(=O)C(=O)NCCN(CC)CCO)OCCO2 ZINC000275355874 1184626753 /nfs/dbraw/zinc/62/67/53/1184626753.db2.gz SVWPAQZHIGSCOO-UHFFFAOYSA-N 0 3 381.429 0.225 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000275373048 1184637664 /nfs/dbraw/zinc/63/76/64/1184637664.db2.gz ARWYNUCLXPONDY-CYBMUJFWSA-N 0 3 392.456 0.327 20 0 GCADHN Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C[C@H]3CNCCO3)CC2)c1 ZINC000430396866 1184646472 /nfs/dbraw/zinc/64/64/72/1184646472.db2.gz VAYIVKCEFKMYSY-WMZOPIPTSA-N 0 3 375.469 0.812 20 0 GCADHN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000275388672 1184648826 /nfs/dbraw/zinc/64/88/26/1184648826.db2.gz FXAPNGBNFFBKRS-UHFFFAOYSA-N 0 3 392.456 0.126 20 0 GCADHN O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1n[nH]c2c1CNCC2 ZINC000188361003 1184658419 /nfs/dbraw/zinc/65/84/19/1184658419.db2.gz PRAWYBLXVQEFST-UHFFFAOYSA-N 0 3 375.454 0.996 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CC1 ZINC000275425235 1184662117 /nfs/dbraw/zinc/66/21/17/1184662117.db2.gz HYYDADJQSHRANM-UHFFFAOYSA-N 0 3 390.484 0.547 20 0 GCADHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000275425390 1184662363 /nfs/dbraw/zinc/66/23/63/1184662363.db2.gz CIUMPIZFXMZNRP-VKJFTORMSA-N 0 3 377.489 0.393 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N(C)CCN(C)C)cc2)C[C@@H](C)O1 ZINC000275438477 1184667457 /nfs/dbraw/zinc/66/74/57/1184667457.db2.gz PYDFXRCEXILKGZ-HUUCEWRRSA-N 0 3 390.484 0.895 20 0 GCADHN O=C(CN(CCO)C1CCOCC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000275461163 1184677517 /nfs/dbraw/zinc/67/75/17/1184677517.db2.gz BTXSQAFOOTUXOV-UHFFFAOYSA-N 0 3 379.413 0.579 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(CC(C)(C)O)C[C@@H]2C)cc1 ZINC000275469096 1184680194 /nfs/dbraw/zinc/68/01/94/1184680194.db2.gz OFGAXGGLKZPQSN-RDJZCZTQSA-N 0 3 380.485 0.990 20 0 GCADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000530585239 1184699425 /nfs/dbraw/zinc/69/94/25/1184699425.db2.gz KZNXAFHIEPEYLU-CQSZACIVSA-N 0 3 397.497 0.694 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC(C)(C)C(=O)NCC2CCCCC2)CC1=O ZINC000124367263 1184716337 /nfs/dbraw/zinc/71/63/37/1184716337.db2.gz DJYHISVOACHPJX-MRXNPFEDSA-N 0 3 380.533 0.988 20 0 GCADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000430425662 1184718485 /nfs/dbraw/zinc/71/84/85/1184718485.db2.gz OKIZXNOHNSQKPY-CVEARBPZSA-N 0 3 381.521 0.581 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(CC(C)(C)O)[C@H](C)C2)cc1 ZINC000275578359 1184728818 /nfs/dbraw/zinc/72/88/18/1184728818.db2.gz PNSUOQLHSBBXQH-WBVHZDCISA-N 0 3 380.485 0.990 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000579927959 1184738689 /nfs/dbraw/zinc/73/86/89/1184738689.db2.gz IGBZYMPVBXDGQT-IRXDYDNUSA-N 0 3 394.516 0.169 20 0 GCADHN CC(C)[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nncn1C ZINC000332912432 1184746946 /nfs/dbraw/zinc/74/69/46/1184746946.db2.gz SHMNPYHJFAOCSM-LSDHHAIUSA-N 0 3 377.493 0.460 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H]3CCN(C)C3=O)cc2)CC1 ZINC000784963290 1184753992 /nfs/dbraw/zinc/75/39/92/1184753992.db2.gz JCWUFSILQTTYKI-QGZVFWFLSA-N 0 3 387.484 0.456 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCN2CCN(CC)CC2)CC1 ZINC000608839388 1184754069 /nfs/dbraw/zinc/75/40/69/1184754069.db2.gz DWBQHEGZJZRDPL-UHFFFAOYSA-N 0 3 396.532 0.274 20 0 GCADHN C[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CCN(C2CC2)C1 ZINC000655638665 1184760437 /nfs/dbraw/zinc/76/04/37/1184760437.db2.gz QCRCNCJKLSXTAM-NJSLBKSFSA-N 0 3 377.489 0.833 20 0 GCADHN O=C(c1[nH]nc2c1CNCC2)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000188444651 1184771189 /nfs/dbraw/zinc/77/11/89/1184771189.db2.gz GAZOSQLJIIBSBY-UHFFFAOYSA-N 0 3 375.395 0.782 20 0 GCADHN Cc1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001707873247 1184774820 /nfs/dbraw/zinc/77/48/20/1184774820.db2.gz SEECYVLNZONPCL-OXJNMPFZSA-N 0 3 392.548 0.997 20 0 GCADHN CCOC(=O)N1C[C@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)[C@@H](CO)C1 ZINC000890988664 1184805523 /nfs/dbraw/zinc/80/55/23/1184805523.db2.gz QCTXKAWXITVCSV-KSZLIROESA-N 0 3 390.484 0.859 20 0 GCADHN CN1CCN([C@@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c2ccccc2)CC1 ZINC000579956550 1184823888 /nfs/dbraw/zinc/82/38/88/1184823888.db2.gz LYVWHBCGQFLYPH-VQTJNVASSA-N 0 3 397.527 0.889 20 0 GCADHN O=C(c1[nH]nc2c1CNCC2)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000188552483 1184867643 /nfs/dbraw/zinc/86/76/43/1184867643.db2.gz ZOLWSZLOIYFSFX-SFHVURJKSA-N 0 3 394.479 0.619 20 0 GCADHN COCC[C@]1(NCC(=O)NCc2ccccc2CN2CCOCC2)CCOC1 ZINC000683678802 1184881097 /nfs/dbraw/zinc/88/10/97/1184881097.db2.gz PCDVDPDIWMKHNP-NRFANRHFSA-N 0 3 391.512 0.920 20 0 GCADHN COCC[C@]1(NCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)CCOC1 ZINC000683679389 1184884038 /nfs/dbraw/zinc/88/40/38/1184884038.db2.gz OHMOPFGPYRDIEG-KUHUBIRLSA-N 0 3 381.448 0.904 20 0 GCADHN Cc1csc(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000579983982 1184887681 /nfs/dbraw/zinc/88/76/81/1184887681.db2.gz LABORZMFYUSKAU-OAHLLOKOSA-N 0 3 379.530 0.695 20 0 GCADHN O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1n[nH]c2c1CNCC2 ZINC000188604559 1184888869 /nfs/dbraw/zinc/88/88/69/1184888869.db2.gz FKMMPSQBYJIDRP-UHFFFAOYSA-N 0 3 379.417 0.888 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1)N1CCC(C)CC1 ZINC000579984968 1184888968 /nfs/dbraw/zinc/88/89/68/1184888968.db2.gz FJZZMWBZYWUFNQ-KRWDZBQOSA-N 0 3 382.549 0.792 20 0 GCADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1n[nH]c3c1CNCC3)CC2 ZINC000188619297 1184892138 /nfs/dbraw/zinc/89/21/38/1184892138.db2.gz KDLIPGKMNSGXKG-UHFFFAOYSA-N 0 3 375.454 0.557 20 0 GCADHN NCc1cn([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(=O)CC4)C2)nn1 ZINC000655954322 1184895744 /nfs/dbraw/zinc/89/57/44/1184895744.db2.gz SRGBHXDNEBHCEK-CQSZACIVSA-N 0 3 375.454 0.892 20 0 GCADHN O=C(NCCN1CCNC1=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000891079835 1184912473 /nfs/dbraw/zinc/91/24/73/1184912473.db2.gz OYUMHNUCQNRDKJ-IRXDYDNUSA-N 0 3 375.473 0.194 20 0 GCADHN CC(C)N1C[C@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)[C@@H](C)C1 ZINC000430469742 1184917783 /nfs/dbraw/zinc/91/77/83/1184917783.db2.gz KCDUUAJZYRXDAP-YVSFHVDLSA-N 0 3 378.517 0.739 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000047405664 1184918472 /nfs/dbraw/zinc/91/84/72/1184918472.db2.gz KCVWRHPUIDVXMP-HNNXBMFYSA-N 0 3 381.498 0.494 20 0 GCADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000275688157 1184930098 /nfs/dbraw/zinc/93/00/98/1184930098.db2.gz XLAFJRHFSQBSOU-MJGOQNOKSA-N 0 3 375.469 0.724 20 0 GCADHN O=C(CN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1)NCc1ccccc1 ZINC000188706408 1184941083 /nfs/dbraw/zinc/94/10/83/1184941083.db2.gz IOKKZPGEDSUTDK-UHFFFAOYSA-N 0 3 382.468 0.130 20 0 GCADHN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)O2)CO1 ZINC000891109667 1184957701 /nfs/dbraw/zinc/95/77/01/1184957701.db2.gz KPCRLVDMDDLDDI-NHAYFPRASA-N 0 3 394.516 0.661 20 0 GCADHN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)O2)CO1 ZINC000891109663 1184957870 /nfs/dbraw/zinc/95/78/70/1184957870.db2.gz KPCRLVDMDDLDDI-AXVVYFOYSA-N 0 3 394.516 0.661 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)nc1 ZINC000656022081 1184958587 /nfs/dbraw/zinc/95/85/87/1184958587.db2.gz BDXPPEFTCGHGAQ-UKRRQHHQSA-N 0 3 391.472 0.384 20 0 GCADHN CCc1csc(CC2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)n1 ZINC000656024547 1184960291 /nfs/dbraw/zinc/96/02/91/1184960291.db2.gz RGYGEGIKSDSKEH-OAHLLOKOSA-N 0 3 380.514 0.591 20 0 GCADHN CCn1cnnc1-c1cccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)c1 ZINC000041718091 1184964337 /nfs/dbraw/zinc/96/43/37/1184964337.db2.gz GMNCDNQYDKPUAL-UHFFFAOYSA-N 0 3 399.499 0.657 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(NC(C)=O)ccc2C)CC1 ZINC000041719308 1184964512 /nfs/dbraw/zinc/96/45/12/1184964512.db2.gz DZADSSYPTSBLRN-UHFFFAOYSA-N 0 3 375.473 0.646 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000430473246 1184964554 /nfs/dbraw/zinc/96/45/54/1184964554.db2.gz BYDKTTIEYAWQHN-SJORKVTESA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@@H]1O ZINC000970699852 1184972732 /nfs/dbraw/zinc/97/27/32/1184972732.db2.gz FYEYWFKWAZQCIO-ZSGPHXLJSA-N 0 3 375.469 0.475 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000275726178 1184987126 /nfs/dbraw/zinc/98/71/26/1184987126.db2.gz UUGDQRBSBOOAMW-OAHLLOKOSA-N 0 3 390.484 0.545 20 0 GCADHN COc1cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)ccc1F ZINC000275740530 1184993534 /nfs/dbraw/zinc/99/35/34/1184993534.db2.gz WNXIXQQSPXEMNA-HNNXBMFYSA-N 0 3 394.447 0.832 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](COC)[C@H]2CCCOC2)CC1 ZINC000891182144 1185018670 /nfs/dbraw/zinc/01/86/70/1185018670.db2.gz CJJKBCFMMYZSDX-DLBZAZTESA-N 0 3 384.521 0.624 20 0 GCADHN CCOC(=O)C1([S@](C)=O)CCN(C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC001670517414 1185032216 /nfs/dbraw/zinc/03/22/16/1185032216.db2.gz NIBPWMQWDTUCEY-MHZLTWQESA-N 0 3 399.517 0.753 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275759352 1185033362 /nfs/dbraw/zinc/03/33/62/1185033362.db2.gz VBJYDLKIMNTQDD-MSOLQXFVSA-N 0 3 390.484 0.963 20 0 GCADHN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)NCC(=O)N3CCNCC3)[nH]c2c1 ZINC000580054748 1185036607 /nfs/dbraw/zinc/03/66/07/1185036607.db2.gz KWHBDRXGDXZDPU-MRXNPFEDSA-N 0 3 398.467 0.083 20 0 GCADHN CN(CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CCO1 ZINC000275768535 1185039669 /nfs/dbraw/zinc/03/96/69/1185039669.db2.gz SCNSFLWLOZVWLH-ZIFCJYIRSA-N 0 3 389.500 0.259 20 0 GCADHN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000580066376 1185040605 /nfs/dbraw/zinc/04/06/05/1185040605.db2.gz DMSGXRPVMNAGQB-OLZOCXBDSA-N 0 3 392.485 0.872 20 0 GCADHN COCc1noc(CN2CCN(C(=O)N[C@@H](C)C3=CCN(C)CC3)CC2)n1 ZINC000275773143 1185044939 /nfs/dbraw/zinc/04/49/39/1185044939.db2.gz HJGOPZOWZWPUNJ-AWEZNQCLSA-N 0 3 378.477 0.694 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 ZINC000275790248 1185051479 /nfs/dbraw/zinc/05/14/79/1185051479.db2.gz BMXANTSAXPKWOK-GOSISDBHSA-N 0 3 387.484 0.297 20 0 GCADHN CCN(C)C(=O)CNC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000580123693 1185071822 /nfs/dbraw/zinc/07/18/22/1185071822.db2.gz ZSNMCPTWFXONTM-UHFFFAOYSA-N 0 3 389.500 0.141 20 0 GCADHN CCN(CCNC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21)CCC(F)(F)F ZINC000580122513 1185072296 /nfs/dbraw/zinc/07/22/96/1185072296.db2.gz CJQPFBQZXVLADO-UONOGXRCSA-N 0 3 378.439 0.930 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](O)C1)N1CCCCC1 ZINC000970844563 1185089272 /nfs/dbraw/zinc/08/92/72/1185089272.db2.gz SSUMZPLIIUDVTN-MTSZKFMLSA-N 0 3 379.501 0.506 20 0 GCADHN COc1ccc(S(=O)(=O)NCCC(=O)NCCN2CCCCC2)cc1OC ZINC000047140862 1185118380 /nfs/dbraw/zinc/11/83/80/1185118380.db2.gz GXPLPSIUDCVDTI-UHFFFAOYSA-N 0 3 399.513 0.974 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@H](C)S1 ZINC000580292547 1185141393 /nfs/dbraw/zinc/14/13/93/1185141393.db2.gz CZKBMFNMRRGLNJ-ZNMIVQPWSA-N 0 3 382.530 0.104 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCO[C@H](COC(C)C)C2)CC1 ZINC000584103868 1185167708 /nfs/dbraw/zinc/16/77/08/1185167708.db2.gz UUXRHKXHDAKPAU-ROUUACIJSA-N 0 3 398.548 0.029 20 0 GCADHN COCC(=O)N1CCc2cc(NC(=O)C(=O)N(C)CCN(C)C3CC3)ccc21 ZINC000275844397 1185176969 /nfs/dbraw/zinc/17/69/69/1185176969.db2.gz ATXAKCCEWFVIAN-UHFFFAOYSA-N 0 3 388.468 0.713 20 0 GCADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CCO2 ZINC000891252579 1185182665 /nfs/dbraw/zinc/18/26/65/1185182665.db2.gz IWYDOZOVOVIJAG-HVEKOLDVSA-N 0 3 398.504 0.149 20 0 GCADHN O=C(NC[C@@H]1CCCS(=O)(=O)C1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000580350703 1185187489 /nfs/dbraw/zinc/18/74/89/1185187489.db2.gz PGNLLGCMWUEYGJ-PKOBYXMFSA-N 0 3 395.525 0.747 20 0 GCADHN C[C@H]1OCCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)[C@H]1C ZINC000275864959 1185191423 /nfs/dbraw/zinc/19/14/23/1185191423.db2.gz BASQDHFUYZDQFI-QWHCGFSZSA-N 0 3 390.440 0.730 20 0 GCADHN C[C@@H]1OCCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)[C@H]1C ZINC000275864965 1185191686 /nfs/dbraw/zinc/19/16/86/1185191686.db2.gz BASQDHFUYZDQFI-STQMWFEESA-N 0 3 390.440 0.730 20 0 GCADHN COCCN1CCC(NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000548085409 1185204001 /nfs/dbraw/zinc/20/40/01/1185204001.db2.gz OLXRUAFRFNWXEO-UHFFFAOYSA-N 0 3 395.485 0.068 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)NCCN1CCC(OC)CC1)CCO2 ZINC000891261532 1185204855 /nfs/dbraw/zinc/20/48/55/1185204855.db2.gz CYCXBEWHZIAWDO-XAUUPUKJSA-N 0 3 383.489 0.897 20 0 GCADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCCN1CCC(OC)CC1)CCO2 ZINC000891261531 1185205062 /nfs/dbraw/zinc/20/50/62/1185205062.db2.gz CYCXBEWHZIAWDO-HVEKOLDVSA-N 0 3 383.489 0.897 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(CCO)CCCO)c(C)c2)CC1 ZINC000275873285 1185206208 /nfs/dbraw/zinc/20/62/08/1185206208.db2.gz HAYUWDZYWVZDOC-UHFFFAOYSA-N 0 3 392.500 0.279 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NCCCCN1CCN(C)CC1)c1ccco1 ZINC000580410558 1185223042 /nfs/dbraw/zinc/22/30/42/1185223042.db2.gz UXKNYIVGXDQCGL-INIZCTEOSA-N 0 3 379.505 0.142 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000580413202 1185223390 /nfs/dbraw/zinc/22/33/90/1185223390.db2.gz PEIDERAVGQQNBH-PFRQMTDMSA-N 0 3 379.501 0.868 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000580422896 1185227884 /nfs/dbraw/zinc/22/78/84/1185227884.db2.gz UHQCRJISAUOGIP-DLBZAZTESA-N 0 3 380.533 0.594 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000580437893 1185229587 /nfs/dbraw/zinc/22/95/87/1185229587.db2.gz CTWMSQUVMAEGOW-UHFFFAOYSA-N 0 3 382.530 0.848 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000275890486 1185239922 /nfs/dbraw/zinc/23/99/22/1185239922.db2.gz HMFCTPNEILWDPJ-MSOLQXFVSA-N 0 3 399.495 0.647 20 0 GCADHN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)C(=O)N1c1cnn(C)c1 ZINC000683944588 1185240438 /nfs/dbraw/zinc/24/04/38/1185240438.db2.gz BJLIJNRCPWIGCW-GUYCJALGSA-N 0 3 391.497 0.954 20 0 GCADHN CC(C)Oc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000580467397 1185240547 /nfs/dbraw/zinc/24/05/47/1185240547.db2.gz XSEYNZSXHIKFMF-QRTARXTBSA-N 0 3 388.468 0.421 20 0 GCADHN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)C(=O)N1c1cnn(C)c1 ZINC000683944583 1185240796 /nfs/dbraw/zinc/24/07/96/1185240796.db2.gz BJLIJNRCPWIGCW-CXAGYDPISA-N 0 3 391.497 0.954 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000275891913 1185243769 /nfs/dbraw/zinc/24/37/69/1185243769.db2.gz HQXQKBBSOVKKMS-UHFFFAOYSA-N 0 3 389.424 0.859 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NCCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000683948945 1185244140 /nfs/dbraw/zinc/24/41/40/1185244140.db2.gz HJKFUWNHLBTWRQ-UHFFFAOYSA-N 0 3 394.497 0.891 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000275898246 1185253744 /nfs/dbraw/zinc/25/37/44/1185253744.db2.gz PEWRTYYNJQPXOT-UHFFFAOYSA-N 0 3 377.514 0.847 20 0 GCADHN C[C@H]1CN(C(=O)NCc2nnnn2CC2CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000548107814 1185261440 /nfs/dbraw/zinc/26/14/40/1185261440.db2.gz GMOICOSVQUWQRK-HOCLYGCPSA-N 0 3 376.509 0.251 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)Cc2cccc(O)c2)CC1 ZINC000580531997 1185263070 /nfs/dbraw/zinc/26/30/70/1185263070.db2.gz UMNOUBZIAYETTJ-UHFFFAOYSA-N 0 3 390.484 0.363 20 0 GCADHN CCOC(=O)c1cc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cn1C ZINC000275903876 1185263253 /nfs/dbraw/zinc/26/32/53/1185263253.db2.gz FXXARPZULMLHRF-UHFFFAOYSA-N 0 3 393.488 0.236 20 0 GCADHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000580536356 1185266345 /nfs/dbraw/zinc/26/63/45/1185266345.db2.gz WMUIHDDRPFDYPL-IRXDYDNUSA-N 0 3 381.498 0.920 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000275909961 1185268693 /nfs/dbraw/zinc/26/86/93/1185268693.db2.gz KQXOKTFCRZFADL-UHFFFAOYSA-N 0 3 388.468 0.650 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CSc2ccccc21)CN1CCN(C)CC1 ZINC000580579797 1185279699 /nfs/dbraw/zinc/27/96/99/1185279699.db2.gz VAAQYWULZAYHTG-HOCLYGCPSA-N 0 3 376.526 0.949 20 0 GCADHN CCOCCOCc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000580580080 1185279754 /nfs/dbraw/zinc/27/97/54/1185279754.db2.gz ABKQBERQDZVUIU-MSOLQXFVSA-N 0 3 390.484 0.693 20 0 GCADHN CCOc1cc(NC(=O)C(=O)NCCCN2CCN(C)CC2)ccc1OC ZINC000047962070 1185282001 /nfs/dbraw/zinc/28/20/01/1185282001.db2.gz SUSPLJRXENJMKM-UHFFFAOYSA-N 0 3 378.473 0.786 20 0 GCADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000275922856 1185285455 /nfs/dbraw/zinc/28/54/55/1185285455.db2.gz MLJMOAJZURJIHZ-AWEZNQCLSA-N 0 3 386.456 0.509 20 0 GCADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000275922859 1185286067 /nfs/dbraw/zinc/28/60/67/1185286067.db2.gz MLJMOAJZURJIHZ-CQSZACIVSA-N 0 3 386.456 0.509 20 0 GCADHN COC(=O)CCCCCS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000471601035 1185287399 /nfs/dbraw/zinc/28/73/99/1185287399.db2.gz GUWNEOGTDKDIPW-UHFFFAOYSA-N 0 3 389.518 0.290 20 0 GCADHN CC1(C)CCc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580660498 1185299062 /nfs/dbraw/zinc/29/90/62/1185299062.db2.gz PUWHUYNYKKPOAW-PVAVHDDUSA-N 0 3 384.480 0.587 20 0 GCADHN CC1(C)CCc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580660501 1185299298 /nfs/dbraw/zinc/29/92/98/1185299298.db2.gz PUWHUYNYKKPOAW-XIRDDKMYSA-N 0 3 384.480 0.587 20 0 GCADHN COc1cccc([C@H](CNC(=O)NCCNS(C)(=O)=O)N2CCCC2)c1 ZINC000047986435 1185303532 /nfs/dbraw/zinc/30/35/32/1185303532.db2.gz UXAYNAIQLIIPDX-INIZCTEOSA-N 0 3 384.502 0.681 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000580692110 1185308137 /nfs/dbraw/zinc/30/81/37/1185308137.db2.gz ROQZTZOBAPGMCC-BZUAXINKSA-N 0 3 385.530 0.449 20 0 GCADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cn1 ZINC000275934838 1185318029 /nfs/dbraw/zinc/31/80/29/1185318029.db2.gz WONRVVXEGVSGIX-CXAGYDPISA-N 0 3 386.456 0.375 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](c2nccn2C)c2ccccc2)n1 ZINC000580731810 1185319193 /nfs/dbraw/zinc/31/91/93/1185319193.db2.gz XJHIHDHARWGNOX-OAHLLOKOSA-N 0 3 382.472 0.297 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NCc1nnn(C(C)(C)C)n1)Cc1ccccc1 ZINC000656287610 1185329306 /nfs/dbraw/zinc/32/93/06/1185329306.db2.gz YWORXJUWGOBLDV-OAHLLOKOSA-N 0 3 387.488 0.333 20 0 GCADHN C[C@@H](CNC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000610461149 1185335440 /nfs/dbraw/zinc/33/54/40/1185335440.db2.gz LCJDAVZGVFKUSD-HOTGVXAUSA-N 0 3 384.521 0.622 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000580752139 1185339974 /nfs/dbraw/zinc/33/99/74/1185339974.db2.gz SXTXHLCXKCJGJH-KRWDZBQOSA-N 0 3 397.564 0.681 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000656289898 1185340141 /nfs/dbraw/zinc/34/01/41/1185340141.db2.gz UYBMWPGBVUODQB-GOSISDBHSA-N 0 3 395.592 0.707 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000275961146 1185342326 /nfs/dbraw/zinc/34/23/26/1185342326.db2.gz SPESZDFVJCRWCD-UHFFFAOYSA-N 0 3 394.497 0.718 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000275967841 1185343236 /nfs/dbraw/zinc/34/32/36/1185343236.db2.gz UIQRWDGVKMHBPO-AWEZNQCLSA-N 0 3 386.452 0.383 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000275973285 1185345890 /nfs/dbraw/zinc/34/58/90/1185345890.db2.gz UYKHQSKQJANHQQ-KGLIPLIRSA-N 0 3 380.470 0.509 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ncccn3)n2C2CC2)CC1 ZINC000580779758 1185356525 /nfs/dbraw/zinc/35/65/25/1185356525.db2.gz SVVPUHGHIYSVBP-OAHLLOKOSA-N 0 3 382.472 0.813 20 0 GCADHN O=C(NCc1ccnc(-n2cccn2)c1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000580787573 1185359490 /nfs/dbraw/zinc/35/94/90/1185359490.db2.gz JGPRFICLCJNNDF-KRWDZBQOSA-N 0 3 382.468 0.970 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1OC ZINC000275982891 1185363373 /nfs/dbraw/zinc/36/33/73/1185363373.db2.gz MWRAKHATNDMCTG-UHFFFAOYSA-N 0 3 378.473 0.738 20 0 GCADHN Cn1cc(S(=O)(=O)NCC(=O)N2CCCN(Cc3ccccc3)CC2)cn1 ZINC000048029707 1185367225 /nfs/dbraw/zinc/36/72/25/1185367225.db2.gz NLIGKAPKNNMYOK-UHFFFAOYSA-N 0 3 391.497 0.433 20 0 GCADHN NC(=O)COc1cccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000656301808 1185370423 /nfs/dbraw/zinc/37/04/23/1185370423.db2.gz NTGXGCOZVHIADZ-IRXDYDNUSA-N 0 3 388.468 0.300 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656304308 1185378320 /nfs/dbraw/zinc/37/83/20/1185378320.db2.gz VXOVYTJCIPTCII-ZKXLYKBJSA-N 0 3 382.549 0.837 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCc1cc(C2CC2)n(C)n1 ZINC000932972499 1185380361 /nfs/dbraw/zinc/38/03/61/1185380361.db2.gz SEOSVNNQIBRXNL-UHFFFAOYSA-N 0 3 376.505 0.010 20 0 GCADHN CNS(=O)(=O)CCNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000275990453 1185384959 /nfs/dbraw/zinc/38/49/59/1185384959.db2.gz ZCTNXKRWTAPNMU-QGZVFWFLSA-N 0 3 397.545 0.214 20 0 GCADHN Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC[C@@H]1COCCO1 ZINC001707887001 1185406464 /nfs/dbraw/zinc/40/64/64/1185406464.db2.gz LUDVZRUFWHNMFL-RTBURBONSA-N 0 3 392.548 0.997 20 0 GCADHN Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCOCCCO ZINC001707887246 1185408641 /nfs/dbraw/zinc/40/86/41/1185408641.db2.gz UVDPDSPOJZADNF-SFHVURJKSA-N 0 3 380.537 0.590 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000656320814 1185411346 /nfs/dbraw/zinc/41/13/46/1185411346.db2.gz VQEQMWQNOJPCRH-MSOLQXFVSA-N 0 3 386.496 0.838 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)CC1 ZINC000933013225 1185424197 /nfs/dbraw/zinc/42/41/97/1185424197.db2.gz LDLQFXZGOBSUEX-BFHYXJOUSA-N 0 3 392.422 0.902 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)CC1 ZINC000933013235 1185424363 /nfs/dbraw/zinc/42/43/63/1185424363.db2.gz LDLQFXZGOBSUEX-MJBXVCDLSA-N 0 3 392.422 0.902 20 0 GCADHN O=C(NCc1cc(=O)n2ccccc2n1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656342213 1185436258 /nfs/dbraw/zinc/43/62/58/1185436258.db2.gz VSENQIKSCWTXGI-HOTGVXAUSA-N 0 3 383.452 0.444 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000656343686 1185437881 /nfs/dbraw/zinc/43/78/81/1185437881.db2.gz OVGJKTKDNHQDMB-ICUGJSFKSA-N 0 3 382.549 0.837 20 0 GCADHN COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000891350761 1185445064 /nfs/dbraw/zinc/44/50/64/1185445064.db2.gz PJPMHLPUEHXDHK-HZPDHXFCSA-N 0 3 382.505 0.471 20 0 GCADHN Cn1c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2nc1C1CC1 ZINC000580962181 1185447665 /nfs/dbraw/zinc/44/76/65/1185447665.db2.gz BOGLGDGNUQZNJJ-KBPBESRZSA-N 0 3 396.451 0.160 20 0 GCADHN CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656353589 1185449288 /nfs/dbraw/zinc/44/92/88/1185449288.db2.gz BJNDSSTUOHFBCF-JKSUJKDBSA-N 0 3 393.532 0.772 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000656354409 1185451837 /nfs/dbraw/zinc/45/18/37/1185451837.db2.gz CHEDSEZUOOZDSY-KBPBESRZSA-N 0 3 376.423 0.826 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000656354412 1185451976 /nfs/dbraw/zinc/45/19/76/1185451976.db2.gz CHEDSEZUOOZDSY-UONOGXRCSA-N 0 3 376.423 0.826 20 0 GCADHN CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656354835 1185452002 /nfs/dbraw/zinc/45/20/02/1185452002.db2.gz DUJPJJIRAUCCIG-CVEARBPZSA-N 0 3 378.517 0.836 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nnn1-c1ccc2ncccc2c1 ZINC000580964163 1185452023 /nfs/dbraw/zinc/45/20/23/1185452023.db2.gz YOIAXONHSKSKQX-JKSUJKDBSA-N 0 3 391.435 0.508 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656357286 1185452789 /nfs/dbraw/zinc/45/27/89/1185452789.db2.gz YPJBSKQOSITGKY-ZWKOTPCHSA-N 0 3 394.560 0.936 20 0 GCADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356742 1185455573 /nfs/dbraw/zinc/45/55/73/1185455573.db2.gz WCCLKBMDLWCCJM-SQNIBIBYSA-N 0 3 399.532 0.380 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000656355625 1185455721 /nfs/dbraw/zinc/45/57/21/1185455721.db2.gz MCSRHLGMRAKKIH-HZPDHXFCSA-N 0 3 390.463 0.397 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000276010318 1185455749 /nfs/dbraw/zinc/45/57/49/1185455749.db2.gz HBEMKYXREGSGHS-CQSZACIVSA-N 0 3 388.468 0.907 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356457 1185456973 /nfs/dbraw/zinc/45/69/73/1185456973.db2.gz DMTIKFPNOMEVQD-NZSAHSFTSA-N 0 3 392.544 0.831 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000656356877 1185457249 /nfs/dbraw/zinc/45/72/49/1185457249.db2.gz HUZHPNAHEBGSSR-GBESFXJTSA-N 0 3 392.544 0.690 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000656358168 1185458914 /nfs/dbraw/zinc/45/89/14/1185458914.db2.gz IYWNXZVQLSWXJZ-IRXDYDNUSA-N 0 3 391.541 0.920 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000656358165 1185459099 /nfs/dbraw/zinc/45/90/99/1185459099.db2.gz IYWNXZVQLSWXJZ-IAGOWNOFSA-N 0 3 391.541 0.920 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@@]2(CCCOC2)O1 ZINC000656357721 1185459848 /nfs/dbraw/zinc/45/98/48/1185459848.db2.gz LJRDHRFAHNMHGW-PDOICOKGSA-N 0 3 379.501 0.916 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000656358864 1185462181 /nfs/dbraw/zinc/46/21/81/1185462181.db2.gz NALLGSDIDFYUJQ-HZPDHXFCSA-N 0 3 388.468 0.697 20 0 GCADHN CCCN(CCN(C)C)C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000580981405 1185462397 /nfs/dbraw/zinc/46/23/97/1185462397.db2.gz BRUVOBGVEQMJEC-UHFFFAOYSA-N 0 3 387.502 0.782 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2c2cccnc2)CC1 ZINC000580997623 1185465981 /nfs/dbraw/zinc/46/59/81/1185465981.db2.gz FBPBHOHXNUVWPR-QZTJIDSGSA-N 0 3 399.495 0.510 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C3CC3)CCN2C1=O ZINC000581082389 1185489195 /nfs/dbraw/zinc/48/91/95/1185489195.db2.gz JGYQBGFQWRMHJS-RKVPGOIHSA-N 0 3 386.452 0.862 20 0 GCADHN CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000581125327 1185505183 /nfs/dbraw/zinc/50/51/83/1185505183.db2.gz MSKNQPCAQHFUQO-KZNAEPCWSA-N 0 3 380.533 0.687 20 0 GCADHN COCCN(C)C[C@H](O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O ZINC000581199865 1185527585 /nfs/dbraw/zinc/52/75/85/1185527585.db2.gz KHMYOBMILXJCOK-IFXJQAMLSA-N 0 3 379.457 0.710 20 0 GCADHN COCCN(C)C[C@H](O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O ZINC000581199869 1185527948 /nfs/dbraw/zinc/52/79/48/1185527948.db2.gz KHMYOBMILXJCOK-LIRRHRJNSA-N 0 3 379.457 0.710 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)CCN2C1=O ZINC000581202305 1185528777 /nfs/dbraw/zinc/52/87/77/1185528777.db2.gz LXOGUAUPVUZZOK-GUDVDZBRSA-N 0 3 392.459 0.928 20 0 GCADHN CCc1nncn1CCNC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000581241395 1185550918 /nfs/dbraw/zinc/55/09/18/1185550918.db2.gz QVVLAXBQVUFNIC-QGZVFWFLSA-N 0 3 380.452 0.926 20 0 GCADHN CCNS(=O)(=O)c1cccc(CNC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581247222 1185553439 /nfs/dbraw/zinc/55/34/39/1185553439.db2.gz QTWZSLJPMCNQAR-HLLBOEOZSA-N 0 3 385.530 0.545 20 0 GCADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(Cn2ccnn2)CC1 ZINC000156082190 1185553639 /nfs/dbraw/zinc/55/36/39/1185553639.db2.gz AYMNNYIWQWXYFR-MRXNPFEDSA-N 0 3 384.488 0.517 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000276112617 1185578716 /nfs/dbraw/zinc/57/87/16/1185578716.db2.gz RNNCSWCSRROFLV-QGZVFWFLSA-N 0 3 392.500 0.147 20 0 GCADHN COCCn1nnc2c1CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)C2 ZINC000581323456 1185593285 /nfs/dbraw/zinc/59/32/85/1185593285.db2.gz JHTUQCXQRCBYCJ-LJQANCHMSA-N 0 3 386.500 0.702 20 0 GCADHN c1cc2n(n1)C[C@@H](CN1CCN(c3cc(N4CCOCC4)ncn3)CC1)CN2 ZINC000684201024 1185602875 /nfs/dbraw/zinc/60/28/75/1185602875.db2.gz VDSOWKQBDGGDHK-MRXNPFEDSA-N 0 3 384.488 0.374 20 0 GCADHN c1cc2n(n1)C[C@H](CN1CCN(c3cc(N4CCOCC4)ncn3)CC1)CN2 ZINC000684201023 1185602979 /nfs/dbraw/zinc/60/29/79/1185602979.db2.gz VDSOWKQBDGGDHK-INIZCTEOSA-N 0 3 384.488 0.374 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000581364378 1185616705 /nfs/dbraw/zinc/61/67/05/1185616705.db2.gz IWMRAVBEVZUQJQ-IRXDYDNUSA-N 0 3 381.498 0.333 20 0 GCADHN CCn1cc(CNCC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001104347295 1185621631 /nfs/dbraw/zinc/62/16/31/1185621631.db2.gz VECHQUBIDBMKHR-YFHUEUNASA-N 0 3 378.521 0.591 20 0 GCADHN COc1cc(CNCC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)on1 ZINC001104347350 1185621938 /nfs/dbraw/zinc/62/19/38/1185621938.db2.gz VXIQEPNAOCAIQQ-KCYZZUKISA-N 0 3 380.489 0.977 20 0 GCADHN N[C@H]1C[C@@H]2CN(c3cnn(-c4ccc(F)cc4F)c(=O)c3Cl)CCN2C1=O ZINC000581380666 1185628195 /nfs/dbraw/zinc/62/81/95/1185628195.db2.gz BQLXNYVTIMOHPA-PWSUYJOCSA-N 0 3 395.797 0.912 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000581385666 1185629986 /nfs/dbraw/zinc/62/99/86/1185629986.db2.gz JEWDDQLRJJLGHL-YOEHRIQHSA-N 0 3 399.538 0.474 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000276171900 1185649809 /nfs/dbraw/zinc/64/98/09/1185649809.db2.gz SLDWQXOJMGSXCG-CYBMUJFWSA-N 0 3 375.425 0.944 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[C@H]1CO ZINC000276183540 1185667315 /nfs/dbraw/zinc/66/73/15/1185667315.db2.gz KPGSPHBWPRFGOL-AEFFLSMTSA-N 0 3 395.525 0.363 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000581419119 1185668429 /nfs/dbraw/zinc/66/84/29/1185668429.db2.gz GDLCDVCQLXTAPB-DNVCBOLYSA-N 0 3 385.512 0.868 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000581419118 1185668711 /nfs/dbraw/zinc/66/87/11/1185668711.db2.gz GDLCDVCQLXTAPB-BEFAXECRSA-N 0 3 385.512 0.868 20 0 GCADHN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[C@H]1CO ZINC000276205720 1185682407 /nfs/dbraw/zinc/68/24/07/1185682407.db2.gz OEHGQYNQNJOZLA-RDJZCZTQSA-N 0 3 381.498 0.222 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)N1CCC[C@H](C)C1 ZINC000581436810 1185690497 /nfs/dbraw/zinc/69/04/97/1185690497.db2.gz BFHXWIMGBAHJQI-GJZGRUSLSA-N 0 3 385.468 0.547 20 0 GCADHN O=C(NCc1ccc(N2CCOCC2)nc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000581443363 1185695468 /nfs/dbraw/zinc/69/54/68/1185695468.db2.gz WVDWWGLDYULJGT-QGZVFWFLSA-N 0 3 387.484 0.231 20 0 GCADHN Cc1nccc(N2CCN(C(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)n1 ZINC000581456523 1185696736 /nfs/dbraw/zinc/69/67/36/1185696736.db2.gz JDDGDZVCFRDUKZ-MRXNPFEDSA-N 0 3 388.516 0.670 20 0 GCADHN Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000276251143 1185708270 /nfs/dbraw/zinc/70/82/70/1185708270.db2.gz OZUPMQMNJWZUIH-INIZCTEOSA-N 0 3 376.457 0.017 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)C3CCOCC3)C2)CC1 ZINC000581507785 1185732222 /nfs/dbraw/zinc/73/22/22/1185732222.db2.gz XDVDGRIQSNCUPI-FUHWJXTLSA-N 0 3 380.533 0.545 20 0 GCADHN O=C(NCCN1CCC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)C1CC1 ZINC001266755484 1185743788 /nfs/dbraw/zinc/74/37/88/1185743788.db2.gz QNBOQIOTDUNFQD-LAVFITLUSA-N 0 3 379.501 0.392 20 0 GCADHN C[C@@]1(NC(=O)Cn2cc(S(N)(=O)=O)cn2)CCN(Cc2ccccc2)C1 ZINC000581555393 1185759259 /nfs/dbraw/zinc/75/92/59/1185759259.db2.gz RCQZSMGKBYVPKJ-QGZVFWFLSA-N 0 3 377.470 0.311 20 0 GCADHN CS(=O)(=O)C1(CNC[C@H](O)Cn2c(=O)onc2-c2ccccc2)CCC1 ZINC000581603295 1185783338 /nfs/dbraw/zinc/78/33/38/1185783338.db2.gz RQXKPFYNXIXAPC-AWEZNQCLSA-N 0 3 381.454 0.421 20 0 GCADHN COCc1cccc(CNC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000430617971 1185785805 /nfs/dbraw/zinc/78/58/05/1185785805.db2.gz QIGSOVPGYKBCHY-IBGZPJMESA-N 0 3 388.512 0.593 20 0 GCADHN NC(=O)c1ccc(OCC(F)F)c(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000581618684 1185788963 /nfs/dbraw/zinc/78/89/63/1185788963.db2.gz LDLULQNRXKVFAK-WDEREUQCSA-N 0 3 397.382 0.205 20 0 GCADHN CCC[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OCC ZINC000625569358 1185790925 /nfs/dbraw/zinc/79/09/25/1185790925.db2.gz BKALEOAXMYCWCK-CVEARBPZSA-N 0 3 382.505 0.073 20 0 GCADHN CC(C)[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000581629100 1185794298 /nfs/dbraw/zinc/79/42/98/1185794298.db2.gz FPRPNWUFBDPLBL-IAGOWNOFSA-N 0 3 394.516 0.073 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NCc1cc(F)cc(F)c1 ZINC000430626617 1185811464 /nfs/dbraw/zinc/81/14/64/1185811464.db2.gz RTBPEAIKRLMXFM-HNNXBMFYSA-N 0 3 380.439 0.725 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NCCc1ccc(F)cc1 ZINC000430629301 1185817261 /nfs/dbraw/zinc/81/72/61/1185817261.db2.gz WGFLOUZQFVDEQN-KRWDZBQOSA-N 0 3 376.476 0.628 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)C2)nn1 ZINC000581666758 1185826027 /nfs/dbraw/zinc/82/60/27/1185826027.db2.gz YPSZAKWVNYBXES-AWEZNQCLSA-N 0 3 397.439 0.406 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NCCCOC1CCCCC1 ZINC000430641010 1185842908 /nfs/dbraw/zinc/84/29/08/1185842908.db2.gz RXHZCGCCTJROLD-GOSISDBHSA-N 0 3 394.560 0.986 20 0 GCADHN CO[C@H]1CC[C@@H](NC(=O)C(=O)N(C)C2CCN(CCn3cccn3)CC2)C1 ZINC000581692756 1185850393 /nfs/dbraw/zinc/85/03/93/1185850393.db2.gz PILZJZMDHNAYMY-WBVHZDCISA-N 0 3 377.489 0.490 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000656890037 1185870057 /nfs/dbraw/zinc/87/00/57/1185870057.db2.gz DPRVWJCFENFCLH-KURKYZTESA-N 0 3 391.578 0.716 20 0 GCADHN O=C(CN[C@]12C[C@H]1COC21CCC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000933393830 1185872782 /nfs/dbraw/zinc/87/27/82/1185872782.db2.gz KZEXJKHRZNUHME-IUVQAAGXSA-N 0 3 398.525 0.482 20 0 GCADHN COc1ccc(C[C@@](C)(CO)NCC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000933430116 1185886622 /nfs/dbraw/zinc/88/66/22/1185886622.db2.gz SXZVRZUQHCUWIG-XLIONFOSSA-N 0 3 377.485 0.705 20 0 GCADHN CCN(C(=O)CN[C@@](C)(CO)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000933443781 1185896307 /nfs/dbraw/zinc/89/63/07/1185896307.db2.gz ZJSOQUTUZDRKIY-FUHWJXTLSA-N 0 3 386.489 0.744 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000521053702 1185896790 /nfs/dbraw/zinc/89/67/90/1185896790.db2.gz VGFICDIOBZJAIP-UHFFFAOYSA-N 0 3 384.502 0.320 20 0 GCADHN CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNC1CC1 ZINC000581825330 1185902470 /nfs/dbraw/zinc/90/24/70/1185902470.db2.gz PYWGFUMTOCIPLI-UHFFFAOYSA-N 0 3 382.486 0.830 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@@H]1Cc2ccccc2CN1 ZINC000891526026 1185904730 /nfs/dbraw/zinc/90/47/30/1185904730.db2.gz YYDLMUGEGQMICX-INIZCTEOSA-N 0 3 398.554 0.379 20 0 GCADHN CNC(=O)COc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1OC ZINC000581833531 1185906672 /nfs/dbraw/zinc/90/66/72/1185906672.db2.gz PCEVSCXNISVPNX-LJQANCHMSA-N 0 3 377.441 0.007 20 0 GCADHN CSc1ccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2=O)cc1 ZINC000581836019 1185907828 /nfs/dbraw/zinc/90/78/28/1185907828.db2.gz QSXBJJSLFJKZKI-IVMMDQJWSA-N 0 3 388.493 0.532 20 0 GCADHN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000891538015 1185909232 /nfs/dbraw/zinc/90/92/32/1185909232.db2.gz ZZFFPWJXUXDLHT-KZNAEPCWSA-N 0 3 392.500 0.908 20 0 GCADHN CS(=O)(=O)CCN1CCC(NC(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000891536156 1185910193 /nfs/dbraw/zinc/91/01/93/1185910193.db2.gz DLFHCZFONZLVFV-GOSISDBHSA-N 0 3 394.541 0.509 20 0 GCADHN CS(=O)(=O)CCN1CCC(NC(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000891536608 1185910305 /nfs/dbraw/zinc/91/03/05/1185910305.db2.gz DLFHCZFONZLVFV-SFHVURJKSA-N 0 3 394.541 0.509 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC3(C2)CO[C@H](C)C3)CC1 ZINC000933520285 1185920229 /nfs/dbraw/zinc/92/02/29/1185920229.db2.gz ANQFGVRXDRNEHL-LSWWBPAMSA-N 0 3 394.516 0.073 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ccc([S@](C)=O)cc2)CC1 ZINC000178180730 1185924185 /nfs/dbraw/zinc/92/41/85/1185924185.db2.gz WQXGPNYPWSJCHT-CRYYWNKWSA-N 0 3 392.525 0.872 20 0 GCADHN CCOC(=O)c1sc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)nc1C ZINC000610545036 1185925769 /nfs/dbraw/zinc/92/57/69/1185925769.db2.gz VURSKJXYAVHQMQ-GFCCVEGCSA-N 0 3 382.486 0.655 20 0 GCADHN CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000891579885 1185926587 /nfs/dbraw/zinc/92/65/87/1185926587.db2.gz NTLBECRVNZKQCG-GOSISDBHSA-N 0 3 387.484 0.081 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@]2(CCCOC2)O1 ZINC000430676639 1185944997 /nfs/dbraw/zinc/94/49/97/1185944997.db2.gz OXPPSUHGCYIHAB-QUCCMNQESA-N 0 3 398.548 0.356 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)N1C[C@H]3CN(C)C[C@H]3C1)C(=O)NCCC2 ZINC000656974976 1185956137 /nfs/dbraw/zinc/95/61/37/1185956137.db2.gz RYEVEQQJZGLHCO-OKILXGFUSA-N 0 3 379.482 0.553 20 0 GCADHN NC(=O)CCSc1ccccc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581895643 1185957284 /nfs/dbraw/zinc/95/72/84/1185957284.db2.gz LHGVFRRJUVPSHN-RYUDHWBXSA-N 0 3 377.470 0.430 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)CCN2C1=O ZINC000581895630 1185957444 /nfs/dbraw/zinc/95/74/44/1185957444.db2.gz KUAJLCMECROWFE-RCCFBDPRSA-N 0 3 384.480 0.238 20 0 GCADHN NC(=O)CCSc1ccccc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581895642 1185957568 /nfs/dbraw/zinc/95/75/68/1185957568.db2.gz LHGVFRRJUVPSHN-NWDGAFQWSA-N 0 3 377.470 0.430 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000581904012 1185963267 /nfs/dbraw/zinc/96/32/67/1185963267.db2.gz WRZAZZMIVLSHNZ-KRWDZBQOSA-N 0 3 378.517 0.838 20 0 GCADHN O=C(CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)Nc1nncs1 ZINC001691105093 1185967913 /nfs/dbraw/zinc/96/79/13/1185967913.db2.gz PVOBCDCSGNJYTP-OEZHXSHYSA-N 0 3 377.470 0.384 20 0 GCADHN O=C(NCc1ccc(N2CCOCC2)nc1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891696643 1185981857 /nfs/dbraw/zinc/98/18/57/1185981857.db2.gz UTSHSQKLLMTEHQ-MSOLQXFVSA-N 0 3 389.500 0.659 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)CCSC1 ZINC000581922787 1185986969 /nfs/dbraw/zinc/98/69/69/1185986969.db2.gz HCSLGOXHOVZGAU-SFHVURJKSA-N 0 3 392.481 0.534 20 0 GCADHN CN1CCN(c2ccc(CNC(=O)NCCN3CCC(O)CC3)cn2)CC1 ZINC000891713745 1185992296 /nfs/dbraw/zinc/99/22/96/1185992296.db2.gz DDIJPXSMWVHLKG-UHFFFAOYSA-N 0 3 376.505 0.089 20 0 GCADHN CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 ZINC000581941151 1185999584 /nfs/dbraw/zinc/99/95/84/1185999584.db2.gz RYNRCSATRIBAQC-GFCCVEGCSA-N 0 3 387.458 0.253 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1noc(Cc2ccccc2)n1 ZINC000581955406 1186005631 /nfs/dbraw/zinc/00/56/31/1186005631.db2.gz HJDMXOZVCIRLIS-CFVMTHIKSA-N 0 3 384.440 0.675 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1noc(Cc2ccccc2)n1 ZINC000581955407 1186006159 /nfs/dbraw/zinc/00/61/59/1186006159.db2.gz HJDMXOZVCIRLIS-NWANDNLSSA-N 0 3 384.440 0.675 20 0 GCADHN CC[C@@H]1COCCN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000581963913 1186011836 /nfs/dbraw/zinc/01/18/36/1186011836.db2.gz QVRKPIWJLOSNOE-GOSISDBHSA-N 0 3 389.496 0.897 20 0 GCADHN CC[C@H]1COCCN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000581963914 1186012063 /nfs/dbraw/zinc/01/20/63/1186012063.db2.gz QVRKPIWJLOSNOE-SFHVURJKSA-N 0 3 389.496 0.897 20 0 GCADHN COCCN1CCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)C[C@@H]1C ZINC000430710003 1186021040 /nfs/dbraw/zinc/02/10/40/1186021040.db2.gz PWPQLSPOAGPDLX-PXNSSMCTSA-N 0 3 385.512 0.980 20 0 GCADHN C[C@H](NC(=O)c1cccs1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000328934124 1186026483 /nfs/dbraw/zinc/02/64/83/1186026483.db2.gz FCJJGHOAFIDDPQ-AWEZNQCLSA-N 0 3 378.498 0.633 20 0 GCADHN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000328934125 1186026902 /nfs/dbraw/zinc/02/69/02/1186026902.db2.gz FCJJGHOAFIDDPQ-CQSZACIVSA-N 0 3 378.498 0.633 20 0 GCADHN O=C(CNC[C@H]1CCCO1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000430909502 1186050912 /nfs/dbraw/zinc/05/09/12/1186050912.db2.gz OIEFWZCZVRMQSE-QGZVFWFLSA-N 0 3 385.472 0.075 20 0 GCADHN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000510690487 1186054910 /nfs/dbraw/zinc/05/49/10/1186054910.db2.gz IUHGUDZKLHOWTN-CABCVRRESA-N 0 3 384.546 0.460 20 0 GCADHN Cn1nnnc1CCCNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000891813799 1186056751 /nfs/dbraw/zinc/05/67/51/1186056751.db2.gz FTRBGSPDBPKACN-UHFFFAOYSA-N 0 3 386.504 0.390 20 0 GCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000891823220 1186066486 /nfs/dbraw/zinc/06/64/86/1186066486.db2.gz MXZNKNDQPXXOIK-ROUUACIJSA-N 0 3 399.495 0.637 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)N[C@H]2CCN(CCOC)C2)C1=O ZINC000276799402 1186070418 /nfs/dbraw/zinc/07/04/18/1186070418.db2.gz DRCOSMUSUSQNSU-GJZGRUSLSA-N 0 3 378.477 0.418 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCN1CCc2ccccc21 ZINC000510743990 1186097061 /nfs/dbraw/zinc/09/70/61/1186097061.db2.gz CJDCDVLWPZXGPO-IAGOWNOFSA-N 0 3 394.541 0.615 20 0 GCADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000510742020 1186097834 /nfs/dbraw/zinc/09/78/34/1186097834.db2.gz UZUDBYIOYOMRNG-LBPRGKRZSA-N 0 3 395.471 0.631 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCOc1cccc(F)c1 ZINC000510748779 1186098484 /nfs/dbraw/zinc/09/84/84/1186098484.db2.gz JTHXHUVGNDJWIS-HZPDHXFCSA-N 0 3 387.477 0.771 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)NCCOc1cccc(F)c1 ZINC000510748777 1186098550 /nfs/dbraw/zinc/09/85/50/1186098550.db2.gz JTHXHUVGNDJWIS-CVEARBPZSA-N 0 3 387.477 0.771 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)NCCOc1ccc(F)cc1 ZINC000510765762 1186103724 /nfs/dbraw/zinc/10/37/24/1186103724.db2.gz PCHFZRJDWNZZLF-JKSUJKDBSA-N 0 3 387.477 0.771 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)CN3CCNCC3=O)CC2)c1 ZINC000431028757 1186108166 /nfs/dbraw/zinc/10/81/66/1186108166.db2.gz UAUXHTQKSXECKP-UHFFFAOYSA-N 0 3 387.528 0.445 20 0 GCADHN CC1(C)CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000933847935 1186108798 /nfs/dbraw/zinc/10/87/98/1186108798.db2.gz PYIASFIPECVDGX-QGZVFWFLSA-N 0 3 380.533 0.548 20 0 GCADHN CC1(C)CCN(CCNC(=O)C(=O)N2CCN(c3ncccc3F)CC2)C1 ZINC000933847188 1186109350 /nfs/dbraw/zinc/10/93/50/1186109350.db2.gz FQCIPYQEIGQHPQ-UHFFFAOYSA-N 0 3 377.464 0.717 20 0 GCADHN C[C@@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@H](c1ccccc1)N(C)C ZINC000548432574 1186109450 /nfs/dbraw/zinc/10/94/50/1186109450.db2.gz OTUTYATYHLIOSA-CXAGYDPISA-N 0 3 397.479 0.997 20 0 GCADHN C[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@@H](c1ccccc1)N(C)C ZINC000548432577 1186109914 /nfs/dbraw/zinc/10/99/14/1186109914.db2.gz OTUTYATYHLIOSA-GUYCJALGSA-N 0 3 397.479 0.997 20 0 GCADHN CS(=O)(=O)C[C@@H]1CN(C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC000891893514 1186139101 /nfs/dbraw/zinc/13/91/01/1186139101.db2.gz WLOZDOSOKIOJKR-SFHVURJKSA-N 0 3 395.525 0.890 20 0 GCADHN Cn1cc([C@@]2(CNC(=O)C(=O)NC[C@@H]3CCN3C3CCCC3)CCCO2)cn1 ZINC000933909203 1186148736 /nfs/dbraw/zinc/14/87/36/1186148736.db2.gz MDADAGKMACOVEX-PXNSSMCTSA-N 0 3 389.500 0.675 20 0 GCADHN Cc1cc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)ccc1S(N)(=O)=O ZINC000610727673 1186151004 /nfs/dbraw/zinc/15/10/04/1186151004.db2.gz SFSVJGIZAXAVSJ-QGZVFWFLSA-N 0 3 394.541 0.883 20 0 GCADHN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000610727346 1186152141 /nfs/dbraw/zinc/15/21/41/1186152141.db2.gz POIBROQMZHRBDU-OAHLLOKOSA-N 0 3 398.529 0.784 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CCCN1c1nccs1 ZINC000548464610 1186154367 /nfs/dbraw/zinc/15/43/67/1186154367.db2.gz KCIQEGCSFRCGBA-INIZCTEOSA-N 0 3 381.546 0.618 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)COC3)CC1 ZINC000510912808 1186154529 /nfs/dbraw/zinc/15/45/29/1186154529.db2.gz BNGRHCVSNDTUMT-UHFFFAOYSA-N 0 3 386.452 0.422 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCc3ncn(C)n3)c2)CC1 ZINC000092379880 1186157451 /nfs/dbraw/zinc/15/74/51/1186157451.db2.gz KSBBPIKBEBAMNV-UHFFFAOYSA-N 0 3 385.472 0.600 20 0 GCADHN C[C@@H](CNC(=O)NCCN1CCC(O)CC1)N1CCN(c2ccccc2)CC1 ZINC000891923576 1186161369 /nfs/dbraw/zinc/16/13/69/1186161369.db2.gz PAJQTZCSASXVOA-SFHVURJKSA-N 0 3 389.544 0.953 20 0 GCADHN Cc1cc(N2CC[C@H](N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n(C)n1 ZINC001022452811 1186175058 /nfs/dbraw/zinc/17/50/58/1186175058.db2.gz SBGFWFKQORNWFN-WCJWXNGTSA-N 0 3 399.495 0.494 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](CNCC(=O)N(C)c2ccccc2)C1 ZINC001691370351 1186198243 /nfs/dbraw/zinc/19/82/43/1186198243.db2.gz NBZJQTRLFWYXLV-SPUZQDLCSA-N 0 3 386.496 0.988 20 0 GCADHN CN1C(=O)NC2(CCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CC2)C1=O ZINC000535720507 1186205576 /nfs/dbraw/zinc/20/55/76/1186205576.db2.gz NBBZKSSIYSMLOH-MRXNPFEDSA-N 0 3 385.468 0.836 20 0 GCADHN CN1C(=O)NC2(CCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC2)C1=O ZINC000535720505 1186206054 /nfs/dbraw/zinc/20/60/54/1186206054.db2.gz NBBZKSSIYSMLOH-INIZCTEOSA-N 0 3 385.468 0.836 20 0 GCADHN CCn1nncc1CNCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001691407327 1186212105 /nfs/dbraw/zinc/21/21/05/1186212105.db2.gz GFWOTNMKKAQFHE-MXASKKJJSA-N 0 3 376.505 0.916 20 0 GCADHN COC(=O)c1cccn(CC(=O)NC2CCN(CCOC(C)C)CC2)c1=O ZINC000934041600 1186224890 /nfs/dbraw/zinc/22/48/90/1186224890.db2.gz JWMYQBKUXZDGCU-UHFFFAOYSA-N 0 3 379.457 0.641 20 0 GCADHN COC(=O)[C@H]1CN(C[C@H](O)C2(O)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934046541 1186225390 /nfs/dbraw/zinc/22/53/90/1186225390.db2.gz XSWUGRZVNHBDOC-KGLIPLIRSA-N 0 3 384.473 0.604 20 0 GCADHN COC(=O)[C@H]1CN(C[C@@H](O)CC2(O)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045700 1186225578 /nfs/dbraw/zinc/22/55/78/1186225578.db2.gz JQOAGZHOYOHNBS-LSDHHAIUSA-N 0 3 398.500 0.994 20 0 GCADHN COC(=O)[C@H]1CN(C[C@H](O)CC2(O)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045697 1186225833 /nfs/dbraw/zinc/22/58/33/1186225833.db2.gz JQOAGZHOYOHNBS-HUUCEWRRSA-N 0 3 398.500 0.994 20 0 GCADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[C@@H]1CCOC1 ZINC001707907514 1186247569 /nfs/dbraw/zinc/24/75/69/1186247569.db2.gz YWAOUPZGQZVZPC-QGZVFWFLSA-N 0 3 376.505 0.758 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NC2(C(N)=O)C3CC4CC(C3)CC2C4)CC1=O ZINC000458282156 1186254050 /nfs/dbraw/zinc/25/40/50/1186254050.db2.gz LAHWFUSRXFZXHN-IRMMJQHKSA-N 0 3 376.501 0.193 20 0 GCADHN COC(=O)c1csc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000610904708 1186256591 /nfs/dbraw/zinc/25/65/91/1186256591.db2.gz MOOPROOYKZCXGC-UHFFFAOYSA-N 0 3 382.486 0.617 20 0 GCADHN Cc1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H](C)CN1CCOCC1 ZINC001707912822 1186269120 /nfs/dbraw/zinc/26/91/20/1186269120.db2.gz HPDFDHOYYQOUDD-KRWDZBQOSA-N 0 3 392.548 0.856 20 0 GCADHN Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(C(N)=O)cc1 ZINC001707915227 1186272778 /nfs/dbraw/zinc/27/27/78/1186272778.db2.gz JTWNHNYUAPODAL-KRWDZBQOSA-N 0 3 384.484 0.892 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)CC1 ZINC000151447998 1186286459 /nfs/dbraw/zinc/28/64/59/1186286459.db2.gz CKGOOWZKTUEAFG-DOTOQJQBSA-N 0 3 379.505 0.986 20 0 GCADHN Cc1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1-n1nnnc1C(C)C ZINC000582014240 1186310399 /nfs/dbraw/zinc/31/03/99/1186310399.db2.gz LJSRLOGTFVQKCG-GJZGRUSLSA-N 0 3 398.471 0.870 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000431279723 1186310961 /nfs/dbraw/zinc/31/09/61/1186310961.db2.gz HAUROLMEWMZPMC-IAGOWNOFSA-N 0 3 388.578 0.726 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccnn1[C@@H]1CCOC1 ZINC000934139255 1186311346 /nfs/dbraw/zinc/31/13/46/1186311346.db2.gz XGWNMCCFUYAFNZ-HUUCEWRRSA-N 0 3 378.477 0.909 20 0 GCADHN CN(CC1CCS(=O)(=O)CC1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000971974364 1186311775 /nfs/dbraw/zinc/31/17/75/1186311775.db2.gz HZRLSJAFWYESSZ-RFSXOUPVSA-N 0 3 382.526 0.767 20 0 GCADHN COc1cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)ccc1OCC(N)=O ZINC000892068418 1186326781 /nfs/dbraw/zinc/32/67/81/1186326781.db2.gz NINZABIGYROVKH-CABCVRRESA-N 0 3 376.457 0.937 20 0 GCADHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1CCN1CCCS1(=O)=O ZINC000548612028 1186343218 /nfs/dbraw/zinc/34/32/18/1186343218.db2.gz GKMRZZHVFUWZTF-SFHVURJKSA-N 0 3 392.481 0.218 20 0 GCADHN COc1cc(OC)c(S(=O)(=O)N(CCN(C)C)CCN(C)C)c(OC)c1 ZINC000548627126 1186356194 /nfs/dbraw/zinc/35/61/94/1186356194.db2.gz LUSADYODZMOAOF-UHFFFAOYSA-N 0 3 389.518 0.826 20 0 GCADHN COCC(=O)N1CCc2cc(NC(=O)C(=O)NC[C@H](C)N3CCCC3)ccc21 ZINC000548629747 1186358387 /nfs/dbraw/zinc/35/83/87/1186358387.db2.gz KPSCGZDLWDDOFI-AWEZNQCLSA-N 0 3 388.468 0.761 20 0 GCADHN O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277393381 1186359587 /nfs/dbraw/zinc/35/95/87/1186359587.db2.gz DUPWHFQBWFJVII-SFHVURJKSA-N 0 3 395.525 0.124 20 0 GCADHN Cc1nn(C)c(C)c1CN1CCN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106386713 1186382462 /nfs/dbraw/zinc/38/24/62/1186382462.db2.gz CSQQXGGYJJWDKF-FCEWJHQRSA-N 0 3 379.549 0.625 20 0 GCADHN O=C(CN1CC[C@H]2[C@H]1CCCN2CCO)N1CCN(Cc2ccco2)CC1 ZINC000934267202 1186395798 /nfs/dbraw/zinc/39/57/98/1186395798.db2.gz IZBRCLFURXALNF-MOPGFXCFSA-N 0 3 376.501 0.455 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CCN2C1=O ZINC000582073687 1186397048 /nfs/dbraw/zinc/39/70/48/1186397048.db2.gz MSOHTIZQHMQJHC-QLFBSQMISA-N 0 3 376.844 0.463 20 0 GCADHN COC(=O)c1ccc2[nH]c(CNC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)nc2c1 ZINC000582084527 1186403566 /nfs/dbraw/zinc/40/35/66/1186403566.db2.gz UTDZOQSBNNFFDI-ZDUSSCGKSA-N 0 3 387.440 0.376 20 0 GCADHN CC(=O)N[C@@H](C)C1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000582090982 1186407342 /nfs/dbraw/zinc/40/73/42/1186407342.db2.gz WEZFHWXOXFHFMB-YOEHRIQHSA-N 0 3 380.533 0.986 20 0 GCADHN O=C(NC[C@H]1CCCCN1C1CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000582100032 1186416113 /nfs/dbraw/zinc/41/61/13/1186416113.db2.gz LDVUGCHARSXHOH-QGZVFWFLSA-N 0 3 391.516 0.480 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)CN(C)S(=O)(=O)N(C)C)c2)CC1 ZINC000563252538 1186419890 /nfs/dbraw/zinc/41/98/90/1186419890.db2.gz HLMDEXVQRNEIPY-UHFFFAOYSA-N 0 3 397.545 0.894 20 0 GCADHN COCCN(C)CCNCc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC000657343677 1186421764 /nfs/dbraw/zinc/42/17/64/1186421764.db2.gz RIEUMXFMWBDSND-UHFFFAOYSA-N 0 3 385.468 0.884 20 0 GCADHN COC1CCN(CCNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 ZINC000934303510 1186423916 /nfs/dbraw/zinc/42/39/16/1186423916.db2.gz DNLDQKYXHSMCLV-OAHLLOKOSA-N 0 3 398.504 0.291 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)N1CCOCC1 ZINC000559553448 1186435940 /nfs/dbraw/zinc/43/59/40/1186435940.db2.gz VKWIYOQKJDMZAW-QZTJIDSGSA-N 0 3 398.548 0.029 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)N1CCOCC1 ZINC000559553450 1186436213 /nfs/dbraw/zinc/43/62/13/1186436213.db2.gz VKWIYOQKJDMZAW-ZWKOTPCHSA-N 0 3 398.548 0.029 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)N1CCOCC1 ZINC000559553449 1186436264 /nfs/dbraw/zinc/43/62/64/1186436264.db2.gz VKWIYOQKJDMZAW-ROUUACIJSA-N 0 3 398.548 0.029 20 0 GCADHN Cn1cc(CNCC2(O)CCOCC2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657354748 1186438710 /nfs/dbraw/zinc/43/87/10/1186438710.db2.gz WWGBGKDCDPCDDE-UHFFFAOYSA-N 0 3 384.436 0.847 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000548696000 1186444145 /nfs/dbraw/zinc/44/41/45/1186444145.db2.gz GSCXSWQDXSKOFY-FMKPAKJESA-N 0 3 385.461 0.160 20 0 GCADHN CCN(C(=O)CN1C[C@@H](c2ccccc2F)[C@H](N)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000582171997 1186453677 /nfs/dbraw/zinc/45/36/77/1186453677.db2.gz GHFNBPDEFOZOSN-UKPHBRMFSA-N 0 3 383.489 0.588 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ccc4c(c3)C(=O)N(CC3CC3)C4=O)CCN2C1=O ZINC000582192234 1186459523 /nfs/dbraw/zinc/45/95/23/1186459523.db2.gz CDUFWZUDGMHUTD-XJKSGUPXSA-N 0 3 397.435 0.468 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc2ncsc2c1 ZINC000582193010 1186460359 /nfs/dbraw/zinc/46/03/59/1186460359.db2.gz CDYUGYMLAPTJPR-CYZMBNFOSA-N 0 3 387.465 0.244 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C2CC2)C2CC2)CC1 ZINC000582200427 1186462101 /nfs/dbraw/zinc/46/21/01/1186462101.db2.gz AKWRNETVAHWTPS-KRWDZBQOSA-N 0 3 376.501 0.304 20 0 GCADHN O=C(C(=O)N1CCN(C(=O)c2ccsc2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000582227574 1186469286 /nfs/dbraw/zinc/46/92/86/1186469286.db2.gz XFDZQKCDGVJXQC-MRXNPFEDSA-N 0 3 390.509 0.729 20 0 GCADHN COc1cccc(C(=O)N2CCN(C(=O)NC[C@H]3CNCCO3)CC2)c1OC ZINC000582231369 1186469956 /nfs/dbraw/zinc/46/99/56/1186469956.db2.gz NLZMLVBQWDDIOV-CQSZACIVSA-N 0 3 392.456 0.160 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCC(CS(C)(=O)=O)CC1 ZINC000889122812 1186487045 /nfs/dbraw/zinc/48/70/45/1186487045.db2.gz YCIFNCHJMQUPLN-WLYUNCDWSA-N 0 3 388.534 0.351 20 0 GCADHN CC(=O)N1CCN(C(=O)CCNC(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000582290726 1186488116 /nfs/dbraw/zinc/48/81/16/1186488116.db2.gz ZHFFBXKYARJTIQ-SFHVURJKSA-N 0 3 387.484 0.253 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 ZINC000582297034 1186490915 /nfs/dbraw/zinc/49/09/15/1186490915.db2.gz JOIIEOQQRAZWEV-INMHGKMJSA-N 0 3 385.530 0.497 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)Sc1ccccc1 ZINC000582313055 1186494351 /nfs/dbraw/zinc/49/43/51/1186494351.db2.gz XCLJBAFYYAMMAV-NFAWXSAZSA-N 0 3 376.482 0.054 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000559903292 1186505320 /nfs/dbraw/zinc/50/53/20/1186505320.db2.gz NRBWYSBOWBNNLB-CYBMUJFWSA-N 0 3 394.438 0.214 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CN1C1CC1 ZINC000934395230 1186505569 /nfs/dbraw/zinc/50/55/69/1186505569.db2.gz KXAJNLYLRFCFNZ-IPYPFGDCSA-N 0 3 380.489 0.806 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnc(N(C)C)c(Cl)c2)CC1=O ZINC000655399879 1186507956 /nfs/dbraw/zinc/50/79/56/1186507956.db2.gz NWDYIGRFRVHTIT-AWEZNQCLSA-N 0 3 397.907 0.710 20 0 GCADHN CC1(C)CCN(CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)C[C@H]32)C1 ZINC001022724754 1186510694 /nfs/dbraw/zinc/51/06/94/1186510694.db2.gz DTPBAKHSOUXHQA-LTIDMASMSA-N 0 3 390.528 0.679 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC001022724864 1186510742 /nfs/dbraw/zinc/51/07/42/1186510742.db2.gz GBWJKIYAPYBZEA-YYIAUSFCSA-N 0 3 390.528 0.692 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000511112565 1186516320 /nfs/dbraw/zinc/51/63/20/1186516320.db2.gz WALTWGQWCZDPEJ-UHFFFAOYSA-N 0 3 388.512 0.862 20 0 GCADHN CCn1c(=O)c2ccccc2n(CC(=O)C(C#N)C(=O)NC2CCCC2)c1=O ZINC000051653117 1186519779 /nfs/dbraw/zinc/51/97/79/1186519779.db2.gz NCCXSRCHSAZQMI-HNNXBMFYSA-N 0 3 382.420 0.951 20 0 GCADHN O=C(NCCN1C(=O)c2ccccc2C1=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892260002 1186524883 /nfs/dbraw/zinc/52/48/83/1186524883.db2.gz GEERQFMAXANELC-IRXDYDNUSA-N 0 3 386.452 0.523 20 0 GCADHN CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000892262525 1186535450 /nfs/dbraw/zinc/53/54/50/1186535450.db2.gz KRJSSMCACKVYRF-IRXDYDNUSA-N 0 3 378.473 0.867 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000582466528 1186540771 /nfs/dbraw/zinc/54/07/71/1186540771.db2.gz DLUINNVUEBFSOG-HNNXBMFYSA-N 0 3 379.505 0.239 20 0 GCADHN CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000050028901 1186541542 /nfs/dbraw/zinc/54/15/42/1186541542.db2.gz BPPUTXZXNYCAAZ-QGZVFWFLSA-N 0 3 380.514 0.602 20 0 GCADHN C[C@@H](CNC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000119871489 1186547691 /nfs/dbraw/zinc/54/76/91/1186547691.db2.gz QQMQKCYYWJOPKK-QFBILLFUSA-N 0 3 378.521 0.561 20 0 GCADHN COc1cccc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001087211896 1186549558 /nfs/dbraw/zinc/54/95/58/1186549558.db2.gz FUKZRVVPBLSDHA-BSWAZPDLSA-N 0 3 390.484 0.840 20 0 GCADHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582498851 1186552277 /nfs/dbraw/zinc/55/22/77/1186552277.db2.gz YCYKVTLEKRVXLS-IRXDYDNUSA-N 0 3 382.468 0.671 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1 ZINC000152604940 1186552993 /nfs/dbraw/zinc/55/29/93/1186552993.db2.gz HQIXXAHOWNDNOC-INIZCTEOSA-N 0 3 392.887 0.835 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1CCCOCC1 ZINC000582511943 1186556094 /nfs/dbraw/zinc/55/60/94/1186556094.db2.gz WWUBFSGJIFMYSZ-SFHVURJKSA-N 0 3 375.469 0.643 20 0 GCADHN O=C(CNC(=O)NCc1ccco1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159237770 1186564047 /nfs/dbraw/zinc/56/40/47/1186564047.db2.gz LKGJORWSHGGWAZ-QGZVFWFLSA-N 0 3 386.452 0.614 20 0 GCADHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582556903 1186565325 /nfs/dbraw/zinc/56/53/25/1186565325.db2.gz IJGXLFNTGNSCMF-TVYUQYBPSA-N 0 3 387.406 0.936 20 0 GCADHN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000582556546 1186566088 /nfs/dbraw/zinc/56/60/88/1186566088.db2.gz FZUWXBGGVSOTRR-IRXDYDNUSA-N 0 3 386.496 0.874 20 0 GCADHN O=C(Cn1c(=O)cnc2ccccc21)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159288010 1186567179 /nfs/dbraw/zinc/56/71/79/1186567179.db2.gz FPXFEYSUASGUAA-GOSISDBHSA-N 0 3 392.459 0.932 20 0 GCADHN C[C@H]1[C@H](NC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)CCCN1C ZINC000431459553 1186578237 /nfs/dbraw/zinc/57/82/37/1186578237.db2.gz SCWOODXIHKEVOS-XJKSGUPXSA-N 0 3 384.502 0.837 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H](OCCO)C1 ZINC000548742913 1186582107 /nfs/dbraw/zinc/58/21/07/1186582107.db2.gz QJPYEUMHMITMJY-HNNXBMFYSA-N 0 3 379.457 0.695 20 0 GCADHN CCc1noc(CC)c1CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000611645079 1186583511 /nfs/dbraw/zinc/58/35/11/1186583511.db2.gz ULKOSQOQBTXNMX-AWEZNQCLSA-N 0 3 378.473 0.785 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ccc(Cl)c(N4CCNC4=O)c3)CCN2C1=O ZINC000582618380 1186587642 /nfs/dbraw/zinc/58/76/42/1186587642.db2.gz ZMHXHVRFMWQARJ-WCQYABFASA-N 0 3 392.847 0.645 20 0 GCADHN COCCN(C)CCNC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000277760462 1186593514 /nfs/dbraw/zinc/59/35/14/1186593514.db2.gz RFJUZAKQMFQSMK-UHFFFAOYSA-N 0 3 376.465 0.559 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCC(=O)N2CCN(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000582660277 1186601114 /nfs/dbraw/zinc/60/11/14/1186601114.db2.gz DEERJGFLJHWESC-GGPKGHCWSA-N 0 3 390.528 0.395 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(cc[nH]c3=O)c2)CC1 ZINC000657521329 1186610472 /nfs/dbraw/zinc/61/04/72/1186610472.db2.gz HJTCLKSDAVSUOG-AWEZNQCLSA-N 0 3 385.468 0.609 20 0 GCADHN Cc1c(C(=O)N2CC[C@H](CO)[C@H](O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000684984971 1186615432 /nfs/dbraw/zinc/61/54/32/1186615432.db2.gz OGHRJBLWKNWNEN-CRAIPNDOSA-N 0 3 385.468 0.379 20 0 GCADHN Cn1cc([C@@H]2CN(C[C@@H](O)CN3C(=O)c4ccccc4C3=O)C[C@H]2CO)cn1 ZINC000277834529 1186629155 /nfs/dbraw/zinc/62/91/55/1186629155.db2.gz RTXBTKKGJUKFSH-DAYGRLMNSA-N 0 3 384.436 0.085 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](C)CCO)cc2)CC1 ZINC000076669935 1186637762 /nfs/dbraw/zinc/63/77/62/1186637762.db2.gz UNBQVVIDOBTWMC-MRXNPFEDSA-N 0 3 376.501 0.897 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(cc[nH]c3=O)c2)CC1 ZINC000657577307 1186649633 /nfs/dbraw/zinc/64/96/33/1186649633.db2.gz IPZYXUFVTWANNB-OAHLLOKOSA-N 0 3 399.495 0.856 20 0 GCADHN O=C(NC[C@H]1CCCCN1CCO)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000582767252 1186664433 /nfs/dbraw/zinc/66/44/33/1186664433.db2.gz YYSNFMOXOCBTKR-AEFFLSMTSA-N 0 3 395.525 0.803 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000152598687 1186666479 /nfs/dbraw/zinc/66/64/79/1186666479.db2.gz DIACXPGTBSYKHF-RDGPPVDQSA-N 0 3 394.560 0.885 20 0 GCADHN CCc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCN1CCN(C)C(C)(C)C1 ZINC001709058498 1186669690 /nfs/dbraw/zinc/66/96/90/1186669690.db2.gz YMPRDXATJJMWRT-HNNXBMFYSA-N 0 3 377.537 0.533 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN2CCC(N3CCOC[C@H]3C)CC2)CC1 ZINC000582794060 1186679509 /nfs/dbraw/zinc/67/95/09/1186679509.db2.gz AMMYFNFWLTVCCJ-MRXNPFEDSA-N 0 3 381.517 0.973 20 0 GCADHN COc1cccc(N2C[C@@H](NC(=O)C(=O)N3CCN4CCC[C@H]4C3)CC2=O)c1 ZINC000582803550 1186684464 /nfs/dbraw/zinc/68/44/64/1186684464.db2.gz YSRNJBFRWLOKAA-HOCLYGCPSA-N 0 3 386.452 0.223 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)[C@H]3CCCN(C)C3)CC2)cn1C ZINC000153414677 1186701700 /nfs/dbraw/zinc/70/17/00/1186701700.db2.gz YBJZIAJTGKRXRI-INIZCTEOSA-N 0 3 397.545 0.682 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)CC1 ZINC000120083127 1186705123 /nfs/dbraw/zinc/70/51/23/1186705123.db2.gz CPAIZFAMVAOZBL-UHFFFAOYSA-N 0 3 385.472 0.472 20 0 GCADHN COC(=O)CNC(=O)Cc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1 ZINC000277927359 1186707590 /nfs/dbraw/zinc/70/75/90/1186707590.db2.gz FNGCKOZDTBOUCL-NSHDSACASA-N 0 3 387.314 0.896 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4cccc5ccccc54)C3)CCN2C1=O ZINC000582857541 1186713654 /nfs/dbraw/zinc/71/36/54/1186713654.db2.gz UJQWZNYOUJNKNG-XYJFISCASA-N 0 3 392.459 0.963 20 0 GCADHN COCc1nccc(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)n1 ZINC000657675837 1186713799 /nfs/dbraw/zinc/71/37/99/1186713799.db2.gz GGVDNYUUULKZET-UHFFFAOYSA-N 0 3 383.452 0.777 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ncnc4sccc43)CCN2C1=O ZINC000582857737 1186714247 /nfs/dbraw/zinc/71/42/47/1186714247.db2.gz YNNRXWGFBRJFAY-BNOWGMLFSA-N 0 3 386.481 0.431 20 0 GCADHN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582915660 1186728720 /nfs/dbraw/zinc/72/87/20/1186728720.db2.gz INJMPOBLZPCYOU-BPQIPLTHSA-N 0 3 386.496 0.910 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCO[C@H](CO)C3)cc2)CC1 ZINC000078887457 1186733077 /nfs/dbraw/zinc/73/30/77/1186733077.db2.gz NBQIBVHSNPQGSH-IBGZPJMESA-N 0 3 376.501 0.727 20 0 GCADHN CN(C(=O)c1ccc2c(c1)CNC2)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000582965192 1186738563 /nfs/dbraw/zinc/73/85/63/1186738563.db2.gz ISBQTSNWUVVGCL-UHFFFAOYSA-N 0 3 399.539 0.600 20 0 GCADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4nnn(C)c4C)n3C3CC3)C2)CC1 ZINC000582969931 1186738897 /nfs/dbraw/zinc/73/88/97/1186738897.db2.gz FRSGFICWDJASGA-MRXNPFEDSA-N 0 3 385.520 0.933 20 0 GCADHN CCC(CC)[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N1CCOCC1 ZINC000152620381 1186739123 /nfs/dbraw/zinc/73/91/23/1186739123.db2.gz LIONOTYJLNZBJN-RBUKOAKNSA-N 0 3 394.560 0.888 20 0 GCADHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582975635 1186740523 /nfs/dbraw/zinc/74/05/23/1186740523.db2.gz JGZZERICFDFYKX-PWSUYJOCSA-N 0 3 380.832 0.366 20 0 GCADHN COc1ccccc1CN(C)C(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000162218779 1186745302 /nfs/dbraw/zinc/74/53/02/1186745302.db2.gz FAQSAFWNZUALMG-GOSISDBHSA-N 0 3 388.512 0.892 20 0 GCADHN C[C@H](CNC(=O)CCn1cnc2sccc2c1=O)CN1CCN(C)CC1 ZINC000121892025 1186745464 /nfs/dbraw/zinc/74/54/64/1186745464.db2.gz LDNDHZIVLPZLNQ-CQSZACIVSA-N 0 3 377.514 0.848 20 0 GCADHN Cc1cc(C)nc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000278026734 1186751828 /nfs/dbraw/zinc/75/18/28/1186751828.db2.gz GWVPUNDFYOZHBM-HNNXBMFYSA-N 0 3 375.473 0.696 20 0 GCADHN C[C@@H]1CN(Cn2nc(C3CC3)n(CCC(N)=O)c2=S)CCN1CC(C)(C)O ZINC000780503537 1186753058 /nfs/dbraw/zinc/75/30/58/1186753058.db2.gz IBDLSGLAEWFYEK-CYBMUJFWSA-N 0 3 396.561 0.901 20 0 GCADHN C[C@@H]1CN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CCN(C2CC2)C1 ZINC000583069305 1186763521 /nfs/dbraw/zinc/76/35/21/1186763521.db2.gz ADBXXJLTYPPJLV-AWEZNQCLSA-N 0 3 377.489 0.977 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000375734516 1186769131 /nfs/dbraw/zinc/76/91/31/1186769131.db2.gz FWMGNPRLFYJGNW-HNNXBMFYSA-N 0 3 396.513 0.414 20 0 GCADHN Cn1ccc(N2CCC[C@@H](NC[C@@H](O)CN3C(=O)c4ccccc4C3=O)C2=O)n1 ZINC000583139002 1186779334 /nfs/dbraw/zinc/77/93/34/1186779334.db2.gz RRKKKHWDCFCIAV-CZUORRHYSA-N 0 3 397.435 0.162 20 0 GCADHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583154864 1186783427 /nfs/dbraw/zinc/78/34/27/1186783427.db2.gz KOIYGVMCCWLMNN-CZAMWMTLSA-N 0 3 388.443 0.336 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)CCN2C1=O ZINC000583155263 1186783452 /nfs/dbraw/zinc/78/34/52/1186783452.db2.gz URFGKLFMKNXYBL-XMTFNYHQSA-N 0 3 384.480 0.599 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3c3ccccc3)CCN2C1=O ZINC000583155258 1186783567 /nfs/dbraw/zinc/78/35/67/1186783567.db2.gz URFGKLFMKNXYBL-BRSBDYLESA-N 0 3 384.480 0.599 20 0 GCADHN CC1CCC(N2CCN(C(=O)C(=O)NC[C@H]3CN(C)CCN3C)CC2)CC1 ZINC000583161347 1186785105 /nfs/dbraw/zinc/78/51/05/1186785105.db2.gz TVFLSJQVWCTBBS-ABHNRTSZSA-N 0 3 379.549 0.071 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000162609168 1186787027 /nfs/dbraw/zinc/78/70/27/1186787027.db2.gz XLEQBROTBCDQEX-PKOBYXMFSA-N 0 3 379.476 0.942 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583171262 1186787492 /nfs/dbraw/zinc/78/74/92/1186787492.db2.gz IIXKTLLRXNQPGF-CABCVRRESA-N 0 3 379.505 0.286 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000162643266 1186790168 /nfs/dbraw/zinc/79/01/68/1186790168.db2.gz AXFPSVAIDWZBRG-KRWDZBQOSA-N 0 3 380.514 0.203 20 0 GCADHN O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728552123 1186792102 /nfs/dbraw/zinc/79/21/02/1186792102.db2.gz VFTINTZGKXKKHP-UHFFFAOYSA-N 0 3 399.447 0.938 20 0 GCADHN CN(C)c1nccc(CNC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)n1 ZINC000685094536 1186792434 /nfs/dbraw/zinc/79/24/34/1186792434.db2.gz TVGZGMKIPRJFIE-SFHVURJKSA-N 0 3 396.495 0.892 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(Oc4ccncc4)cc3)CCN2C1=O ZINC000583214699 1186799050 /nfs/dbraw/zinc/79/90/50/1186799050.db2.gz JEDTYIFKVHCZIJ-PBHICJAKSA-N 0 3 395.419 0.583 20 0 GCADHN COCCN1CCC(NC(=O)NCc2ccc(S(N)(=O)=O)cc2C)CC1 ZINC000278171290 1186811811 /nfs/dbraw/zinc/81/18/11/1186811811.db2.gz DFLPXHFJRVCARV-UHFFFAOYSA-N 0 3 384.502 0.552 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1CCc2c[nH]nc2C1 ZINC000685109149 1186812655 /nfs/dbraw/zinc/81/26/55/1186812655.db2.gz OTQJFTOBKILEBS-GOSISDBHSA-N 0 3 397.479 0.702 20 0 GCADHN Cn1c(C(=O)NC[C@H]2NCCc3ccccc32)cc2c1n(C)c(=O)n(C)c2=O ZINC000583264403 1186812716 /nfs/dbraw/zinc/81/27/16/1186812716.db2.gz LISNIXYEUZHLPQ-OAHLLOKOSA-N 0 3 381.436 0.193 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1 ZINC000148597065 1186820817 /nfs/dbraw/zinc/82/08/17/1186820817.db2.gz CTQWLULIRTVMHO-UHFFFAOYSA-N 0 3 382.848 0.604 20 0 GCADHN COCCN1CCC(NC(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)CC1 ZINC000278204191 1186827392 /nfs/dbraw/zinc/82/73/92/1186827392.db2.gz HGIJBTQSQCLAFD-UHFFFAOYSA-N 0 3 384.502 0.552 20 0 GCADHN Cc1nc(N2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)sc1C ZINC000126589182 1186842281 /nfs/dbraw/zinc/84/22/81/1186842281.db2.gz GPCNJGXQYXXKPP-HNNXBMFYSA-N 0 3 379.530 0.819 20 0 GCADHN CCCN(C)CC(=O)N(CCO)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001719656720 1186847159 /nfs/dbraw/zinc/84/71/59/1186847159.db2.gz FWIYNRWBNQYSLG-GJNTUIEKSA-N 0 3 393.528 0.564 20 0 GCADHN COCCN1CCC(NC(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)CC1 ZINC000892335577 1186847552 /nfs/dbraw/zinc/84/75/52/1186847552.db2.gz VBBLNTIZVGZRLA-UHFFFAOYSA-N 0 3 398.529 0.992 20 0 GCADHN CC[C@@H](N)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000583438896 1186854648 /nfs/dbraw/zinc/85/46/48/1186854648.db2.gz MKPBOOOUFRQTSJ-CQSZACIVSA-N 0 3 385.486 0.710 20 0 GCADHN Cn1cc(-c2csc(NC(=O)C(=O)NC[C@@H]3CCCN3CCCO)n2)cn1 ZINC000583445369 1186857069 /nfs/dbraw/zinc/85/70/69/1186857069.db2.gz JLXJVJITGRNPNY-ZDUSSCGKSA-N 0 3 392.485 0.445 20 0 GCADHN Cc1cccc2c1N(C(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CC2 ZINC000127497862 1186866481 /nfs/dbraw/zinc/86/64/81/1186866481.db2.gz PKQMQTKSEKZNBG-KRWDZBQOSA-N 0 3 384.480 0.649 20 0 GCADHN CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000049055079 1186874912 /nfs/dbraw/zinc/87/49/12/1186874912.db2.gz ZBFMBJMCBORVDH-HNNXBMFYSA-N 0 3 389.500 0.716 20 0 GCADHN O=C(CNS(=O)(=O)c1ccccc1F)N1CCN(CC2CCOCC2)CC1 ZINC000583535803 1186880692 /nfs/dbraw/zinc/88/06/92/1186880692.db2.gz DGVOVLASXLSHLC-UHFFFAOYSA-N 0 3 399.488 0.675 20 0 GCADHN Cc1cc(CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)ccc1S(N)(=O)=O ZINC000278302919 1186880859 /nfs/dbraw/zinc/88/08/59/1186880859.db2.gz RSWDSIUEOPREEI-HNNXBMFYSA-N 0 3 397.545 0.468 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000375740448 1186891728 /nfs/dbraw/zinc/89/17/28/1186891728.db2.gz BSBNTDKSKYGHAC-OWCLPIDISA-N 0 3 386.518 0.059 20 0 GCADHN Cc1cc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)ccc1S(N)(=O)=O ZINC000278331460 1186892427 /nfs/dbraw/zinc/89/24/27/1186892427.db2.gz VBOSDXCVQQLWBV-AWEZNQCLSA-N 0 3 397.545 0.325 20 0 GCADHN C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@@H]1C ZINC000245884038 1186900250 /nfs/dbraw/zinc/90/02/50/1186900250.db2.gz OIDYOHRWQLARJO-IRXDYDNUSA-N 0 3 390.532 0.430 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000583625099 1186902882 /nfs/dbraw/zinc/90/28/82/1186902882.db2.gz GIPJRZOCSIMJMS-UHFFFAOYSA-N 0 3 396.850 0.585 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000278352431 1186904794 /nfs/dbraw/zinc/90/47/94/1186904794.db2.gz QNBSCIKYNUNXCD-GOEBONIOSA-N 0 3 388.486 0.059 20 0 GCADHN COCCO[C@H]1C[C@H](CO)CN(CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000278352435 1186904885 /nfs/dbraw/zinc/90/48/85/1186904885.db2.gz QNBSCIKYNUNXCD-HOCLYGCPSA-N 0 3 388.486 0.059 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccsc2)C1=O ZINC000458618206 1186904964 /nfs/dbraw/zinc/90/49/64/1186904964.db2.gz RIIBMIDTNXQZLD-OAHLLOKOSA-N 0 3 396.513 0.985 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000583642606 1186906446 /nfs/dbraw/zinc/90/64/46/1186906446.db2.gz LZEKQFFQTJJIFY-FSPWUOQZSA-N 0 3 384.480 0.513 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685175512 1186909647 /nfs/dbraw/zinc/90/96/47/1186909647.db2.gz MKOOIMGLTPLVSB-FMKPAKJESA-N 0 3 390.488 0.021 20 0 GCADHN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@@H](CN(C)C)C1 ZINC000246286851 1186916183 /nfs/dbraw/zinc/91/61/83/1186916183.db2.gz IEGANBVRYUNGOD-HOTGVXAUSA-N 0 3 378.473 0.215 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000583679525 1186917957 /nfs/dbraw/zinc/91/79/57/1186917957.db2.gz QHWGGBOMAKEESB-UHFFFAOYSA-N 0 3 396.495 0.764 20 0 GCADHN CCN1CCN([C@@H]2CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000246359369 1186918138 /nfs/dbraw/zinc/91/81/38/1186918138.db2.gz NDAJNAGIJBCTNF-CHWSQXEVSA-N 0 3 379.427 0.475 20 0 GCADHN CO[C@]1(C)C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1(C)C ZINC000685185376 1186921342 /nfs/dbraw/zinc/92/13/42/1186921342.db2.gz HRHLHYVATJYATK-QEEYODRMSA-N 0 3 394.516 0.071 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583711734 1186924309 /nfs/dbraw/zinc/92/43/09/1186924309.db2.gz ZITLIGCNJMKYLE-HOTGVXAUSA-N 0 3 379.505 0.430 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583711735 1186924485 /nfs/dbraw/zinc/92/44/85/1186924485.db2.gz ZITLIGCNJMKYLE-HZPDHXFCSA-N 0 3 379.505 0.430 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000129733488 1186925537 /nfs/dbraw/zinc/92/55/37/1186925537.db2.gz NAXPDYCRCFZGPK-AWEZNQCLSA-N 0 3 385.534 0.161 20 0 GCADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC000583725108 1186927007 /nfs/dbraw/zinc/92/70/07/1186927007.db2.gz UJJFGXZYVBPCJP-MRXNPFEDSA-N 0 3 377.489 0.003 20 0 GCADHN COc1ccc(OC2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000583743207 1186929370 /nfs/dbraw/zinc/92/93/70/1186929370.db2.gz XAWIDEHBZSBYFC-KRWDZBQOSA-N 0 3 377.441 0.170 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)ccc1F ZINC000548808577 1186930922 /nfs/dbraw/zinc/93/09/22/1186930922.db2.gz LPANSFOYPQFXNG-NSHDSACASA-N 0 3 386.449 0.273 20 0 GCADHN CN(C(=O)N[C@H]1CCC(=O)N(C)C1=O)C1CCN(CCc2ccccn2)CC1 ZINC000583749483 1186931530 /nfs/dbraw/zinc/93/15/30/1186931530.db2.gz WPWQFZRJENBQMR-KRWDZBQOSA-N 0 3 387.484 0.877 20 0 GCADHN O=C(CNC(CO)CO)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000583761340 1186933871 /nfs/dbraw/zinc/93/38/71/1186933871.db2.gz OCKCBSAUVKNRHN-UHFFFAOYSA-N 0 3 383.492 0.863 20 0 GCADHN CCCCn1cc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c(C)n1 ZINC000685197229 1186933959 /nfs/dbraw/zinc/93/39/59/1186933959.db2.gz KLYSNHQQDNNQGW-UHFFFAOYSA-N 0 3 392.548 0.704 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3c3ncccn3)CCN2C1=O ZINC000583763725 1186934660 /nfs/dbraw/zinc/93/46/60/1186934660.db2.gz IUGGTTDMMACCSO-HHARLNAUSA-N 0 3 384.484 0.385 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCN2C1=O ZINC000583764942 1186934972 /nfs/dbraw/zinc/93/49/72/1186934972.db2.gz ZSUOBQKLGCQJED-LXTVHRRPSA-N 0 3 376.844 0.083 20 0 GCADHN CC(C)(CN1CCOCC1)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000635203843 1186936314 /nfs/dbraw/zinc/93/63/14/1186936314.db2.gz QQJXOZNGQBPNGP-UHFFFAOYSA-N 0 3 390.532 0.463 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NCCCCN2CCN(CCO)CC2)cc1F ZINC000583826545 1186945868 /nfs/dbraw/zinc/94/58/68/1186945868.db2.gz PSJXUFNVLGKIEV-UHFFFAOYSA-N 0 3 394.491 0.257 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2(CCOC)CCC2)CC1 ZINC000583837296 1186948650 /nfs/dbraw/zinc/94/86/50/1186948650.db2.gz FRRNSALYMAUPDT-UHFFFAOYSA-N 0 3 396.532 0.322 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F ZINC000583843006 1186950497 /nfs/dbraw/zinc/95/04/97/1186950497.db2.gz UTUJTDZLHVHLGX-LBPRGKRZSA-N 0 3 398.410 0.968 20 0 GCADHN CN1CCN(CCCCNC(=O)CCSc2ncnc3[nH]cnc32)CC1 ZINC000635278868 1186953358 /nfs/dbraw/zinc/95/33/58/1186953358.db2.gz NZNQULHCFAKXIK-UHFFFAOYSA-N 0 3 377.518 0.979 20 0 GCADHN Cc1nc(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cs1 ZINC000583883665 1186957327 /nfs/dbraw/zinc/95/73/27/1186957327.db2.gz XZLIYDCBNXBBRU-GXTWGEPZSA-N 0 3 399.476 0.827 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC2(C)COC2)cc1)[C@H]1CCCN(C)C1 ZINC000635324998 1186963692 /nfs/dbraw/zinc/96/36/92/1186963692.db2.gz MCPMGJRWSRULTA-INIZCTEOSA-N 0 3 388.468 0.696 20 0 GCADHN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583943742 1186965640 /nfs/dbraw/zinc/96/56/40/1186965640.db2.gz ROVABWODLLYZKL-ULQDDVLXSA-N 0 3 379.526 0.980 20 0 GCADHN NS(=O)(=O)CCN1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000278524235 1186969022 /nfs/dbraw/zinc/96/90/22/1186969022.db2.gz CYOHWFYNNROWBP-IBGZPJMESA-N 0 3 396.557 0.184 20 0 GCADHN CS(=O)(=O)NCCN[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1c1ccccc1 ZINC001211605740 1186975609 /nfs/dbraw/zinc/97/56/09/1186975609.db2.gz WWWBDULJHCGJHI-BMFAXAFESA-N 0 3 393.509 0.156 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3COCC[C@H]3O)cc2)CC1 ZINC000635383136 1186976762 /nfs/dbraw/zinc/97/67/62/1186976762.db2.gz WFXIFJLYXOQUHU-QZTJIDSGSA-N 0 3 390.484 0.029 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000458768976 1186981472 /nfs/dbraw/zinc/98/14/72/1186981472.db2.gz MWRVEOSRYRBDAB-SJORKVTESA-N 0 3 381.521 0.813 20 0 GCADHN O=C(NC[C@H]1CCCN(CCN2C(=O)CNC2=O)C1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001023497190 1186982078 /nfs/dbraw/zinc/98/20/78/1186982078.db2.gz AISLOPCGHQYJIN-WBTNSWJXSA-N 0 3 378.473 0.182 20 0 GCADHN COC[C@H](N[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1)[C@H]1CCCO1 ZINC000278608594 1186992529 /nfs/dbraw/zinc/99/25/29/1186992529.db2.gz DIECAWJDSHQKCO-OWCLPIDISA-N 0 3 379.457 0.736 20 0 GCADHN C[C@H](NC(=O)C(=O)NCc1ccccc1N1CCOCC1)C1=CCN(C)CC1 ZINC000584068046 1186993282 /nfs/dbraw/zinc/99/32/82/1186993282.db2.gz SKZILCIODBKWBN-INIZCTEOSA-N 0 3 386.496 0.906 20 0 GCADHN C[C@@]1(C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCNC1=O ZINC000635458371 1186994473 /nfs/dbraw/zinc/99/44/73/1186994473.db2.gz QTWLNPIEDBOMHI-DYESRHJHSA-N 0 3 385.512 0.968 20 0 GCADHN COCC(=O)N(C)CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000536210783 1186996269 /nfs/dbraw/zinc/99/62/69/1186996269.db2.gz UBPWAIICKCSKNJ-UHFFFAOYSA-N 0 3 381.448 0.890 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000548818021 1187000232 /nfs/dbraw/zinc/00/02/32/1187000232.db2.gz IQXILTQEDSZVAI-CYBMUJFWSA-N 0 3 383.470 0.341 20 0 GCADHN CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000584128133 1187004252 /nfs/dbraw/zinc/00/42/52/1187004252.db2.gz GGZJECRDHTWOSN-AWEZNQCLSA-N 0 3 375.473 0.406 20 0 GCADHN Cc1nc2ccc(NC(=O)C(=O)N3CC[C@@H](N4CCN(C(C)C)CC4)C3)cn2n1 ZINC000584143174 1187006245 /nfs/dbraw/zinc/00/62/45/1187006245.db2.gz NCUWHZAKADRGND-QGZVFWFLSA-N 0 3 399.499 0.603 20 0 GCADHN CN(C(=O)c1coc(CN)c1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000584173598 1187009379 /nfs/dbraw/zinc/00/93/79/1187009379.db2.gz KGHXSWSEGANLKZ-UHFFFAOYSA-N 0 3 377.489 0.049 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cncc(OCC(F)(F)F)n1 ZINC000657832864 1187012157 /nfs/dbraw/zinc/01/21/57/1187012157.db2.gz NOEWKPPHVBMVAE-UHFFFAOYSA-N 0 3 375.351 0.910 20 0 GCADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000584195808 1187013628 /nfs/dbraw/zinc/01/36/28/1187013628.db2.gz SBZRLDZILZDVDA-CYBMUJFWSA-N 0 3 390.550 0.993 20 0 GCADHN Cn1cc(-c2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)nn2)cn1 ZINC000278692264 1187021920 /nfs/dbraw/zinc/02/19/20/1187021920.db2.gz IXRUBZJOGCZNJZ-INIZCTEOSA-N 0 3 398.471 0.647 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)CN2CCCC2=O)o1 ZINC000584248036 1187022141 /nfs/dbraw/zinc/02/21/41/1187022141.db2.gz YNCMHDGQRKQABV-AWEZNQCLSA-N 0 3 378.473 0.605 20 0 GCADHN CN(C)c1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c2ccccc2n1 ZINC000584303341 1187028714 /nfs/dbraw/zinc/02/87/14/1187028714.db2.gz SQIDGQOCTUAFRH-GDBMZVCRSA-N 0 3 382.468 0.754 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2ncc(=O)c3ccccc32)CC1 ZINC000152719688 1187043177 /nfs/dbraw/zinc/04/31/77/1187043177.db2.gz WQWSUTNCQIGGEG-SFHVURJKSA-N 0 3 397.479 0.552 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000584377643 1187044106 /nfs/dbraw/zinc/04/41/06/1187044106.db2.gz YRCBNEJLPKEXGI-KZNAEPCWSA-N 0 3 392.544 0.546 20 0 GCADHN C[C@H](CCN1CCOCC1)NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000081395166 1187045285 /nfs/dbraw/zinc/04/52/85/1187045285.db2.gz DZKLBVJDEXAHFG-GOSISDBHSA-N 0 3 375.517 0.821 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000611838161 1187046279 /nfs/dbraw/zinc/04/62/79/1187046279.db2.gz GRYZCYJOJFFHOT-GJZGRUSLSA-N 0 3 380.533 0.986 20 0 GCADHN CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000083694587 1187051655 /nfs/dbraw/zinc/05/16/55/1187051655.db2.gz SZQZNKSTQTWRHC-MOPGFXCFSA-N 0 3 376.501 0.595 20 0 GCADHN C[C@H](Cn1cncn1)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000657857778 1187054223 /nfs/dbraw/zinc/05/42/23/1187054223.db2.gz WJRIDSUCERAERZ-ZBFHGGJFSA-N 0 3 379.486 0.914 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)CCN2C1=O ZINC000584422418 1187056886 /nfs/dbraw/zinc/05/68/86/1187056886.db2.gz WLDGLKRVTFLRFD-TZMCWYRMSA-N 0 3 396.900 0.319 20 0 GCADHN COc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OC)cc1Cl ZINC000584422210 1187057749 /nfs/dbraw/zinc/05/77/49/1187057749.db2.gz PYBZDMOIWUQXFQ-GXSJLCMTSA-N 0 3 396.831 0.066 20 0 GCADHN CCOC(=O)[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000611859089 1187061861 /nfs/dbraw/zinc/06/18/61/1187061861.db2.gz JNNYCVQBHBGODY-HNNXBMFYSA-N 0 3 387.440 0.217 20 0 GCADHN CC[C@@H](C)N[C@@H](CNC(=O)CNS(=O)(=O)c1cn(C)cn1)c1ccco1 ZINC000584442228 1187065342 /nfs/dbraw/zinc/06/53/42/1187065342.db2.gz APUFMVRWYABPER-OLZOCXBDSA-N 0 3 383.474 0.537 20 0 GCADHN COCCN1CCC(NC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000144135972 1187083014 /nfs/dbraw/zinc/08/30/14/1187083014.db2.gz NZPYJENGSIMJLX-UHFFFAOYSA-N 0 3 389.456 0.971 20 0 GCADHN COCCN1CCC(NC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000144138653 1187083092 /nfs/dbraw/zinc/08/30/92/1187083092.db2.gz BQHUBNWYZYMPEG-UHFFFAOYSA-N 0 3 389.456 0.971 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1 ZINC000685339132 1187102347 /nfs/dbraw/zinc/10/23/47/1187102347.db2.gz DOEWPUDUGDEWPA-IEBWSBKVSA-N 0 3 390.528 0.721 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000685339131 1187102612 /nfs/dbraw/zinc/10/26/12/1187102612.db2.gz DOEWPUDUGDEWPA-HKUYNNGSSA-N 0 3 390.528 0.721 20 0 GCADHN CCc1nn(C)c(CC)c1CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000685347092 1187110167 /nfs/dbraw/zinc/11/01/67/1187110167.db2.gz KEQIBBUSOYEXAS-OAHLLOKOSA-N 0 3 393.532 0.730 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000139453190 1187118532 /nfs/dbraw/zinc/11/85/32/1187118532.db2.gz OHNMVZFPTNUWSZ-OAHLLOKOSA-N 0 3 390.513 0.677 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000685407416 1187125092 /nfs/dbraw/zinc/12/50/92/1187125092.db2.gz KQWWHHVIXABQCV-ZACQAIPSSA-N 0 3 378.517 0.156 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(CC[NH+](C)C)C(C)C ZINC000151936495 1187126814 /nfs/dbraw/zinc/12/68/14/1187126814.db2.gz KVMIIUOCKLPAGK-UHFFFAOYSA-N 0 3 379.505 0.646 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)N[C@@H](C)C3=CCN(C)CC3)CC2)n1 ZINC000685444081 1187129345 /nfs/dbraw/zinc/12/93/45/1187129345.db2.gz XBSJNORDRYUGBY-INIZCTEOSA-N 0 3 386.500 0.509 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccnn1C ZINC000685480449 1187133412 /nfs/dbraw/zinc/13/34/12/1187133412.db2.gz PLOWPWCRDGAMNL-IRXDYDNUSA-N 0 3 393.532 0.845 20 0 GCADHN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000685501421 1187138141 /nfs/dbraw/zinc/13/81/41/1187138141.db2.gz LYRYUIXQZGHKIR-IEBWSBKVSA-N 0 3 392.544 0.690 20 0 GCADHN Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000685520145 1187142783 /nfs/dbraw/zinc/14/27/83/1187142783.db2.gz AJHNWPFMQXZDJN-MRXNPFEDSA-N 0 3 388.516 0.670 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000685520155 1187142906 /nfs/dbraw/zinc/14/29/06/1187142906.db2.gz BQXWFYQFXGFQCO-SJORKVTESA-N 0 3 380.533 0.546 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000685520562 1187143529 /nfs/dbraw/zinc/14/35/29/1187143529.db2.gz MTEBNDYUOGVQQU-CVEARBPZSA-N 0 3 378.517 0.836 20 0 GCADHN O=C(NCc1nc(C[NH2+]C[C@@H]2CCCOC2)cc(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001087258229 1187158422 /nfs/dbraw/zinc/15/84/22/1187158422.db2.gz AWMZCNMKHOBGTF-MPCCQONLSA-N 0 3 388.468 0.738 20 0 GCADHN O=C(NCc1nc(C[NH2+]C[C@H]2CCCOC2)cc(=O)[n-]1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001087260472 1187222731 /nfs/dbraw/zinc/22/27/31/1187222731.db2.gz NZSCTAAKPGYIKM-MIGQKNRLSA-N 0 3 376.457 0.882 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)cs1 ZINC000657996065 1187229082 /nfs/dbraw/zinc/22/90/82/1187229082.db2.gz YKCXGBLFEWHDQV-QGZVFWFLSA-N 0 3 391.541 0.792 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000611993122 1187229130 /nfs/dbraw/zinc/22/91/30/1187229130.db2.gz WJBIZRLJDYGAJL-INIZCTEOSA-N 0 3 383.533 0.907 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2ccccc2N)C[C@H](C)O1 ZINC000612056193 1187244421 /nfs/dbraw/zinc/24/44/21/1187244421.db2.gz GJWKHPRUNWUCPR-GJZGRUSLSA-N 0 3 398.529 0.553 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658264352 1187262283 /nfs/dbraw/zinc/26/22/83/1187262283.db2.gz QVCOCOBIRQITAI-ZDUSSCGKSA-N 0 3 382.486 0.522 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)C[S@](C)=O)cc2)CC1 ZINC000785206713 1187265981 /nfs/dbraw/zinc/26/59/81/1187265981.db2.gz SIPARNFKNNQMDI-QZXCRCNTSA-N 0 3 394.541 0.992 20 0 GCADHN CC1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)CC1 ZINC000972856805 1187283507 /nfs/dbraw/zinc/28/35/07/1187283507.db2.gz XGQXKIQNHNQSBN-NCXUSEDFSA-N 0 3 392.544 0.497 20 0 GCADHN CN(Cc1cccc(O)c1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000658393187 1187285483 /nfs/dbraw/zinc/28/54/83/1187285483.db2.gz WCWJQLPQPHTIAN-KRWDZBQOSA-N 0 3 388.468 0.116 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC/C=C\CO)cc1)[C@H]1CCCN(C)C1 ZINC000658413076 1187286241 /nfs/dbraw/zinc/28/62/41/1187286241.db2.gz AKYZCBLXCSTSFO-LIMHQNJXSA-N 0 3 388.468 0.456 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000658474316 1187314564 /nfs/dbraw/zinc/31/45/64/1187314564.db2.gz CUJGKWPBDVLYIX-INIZCTEOSA-N 0 3 381.448 0.590 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)o1 ZINC000658504391 1187319955 /nfs/dbraw/zinc/31/99/55/1187319955.db2.gz MMRIRDZDKVXZII-KRWDZBQOSA-N 0 3 392.500 0.411 20 0 GCADHN O=C(C(=O)N1CCC[C@H]1CN1CCCCC1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658507620 1187323136 /nfs/dbraw/zinc/32/31/36/1187323136.db2.gz WGHBWPBKBNMFDM-MSOLQXFVSA-N 0 3 390.528 0.934 20 0 GCADHN O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658521840 1187328491 /nfs/dbraw/zinc/32/84/91/1187328491.db2.gz AWHHRBUODXYCIU-QGZVFWFLSA-N 0 3 390.528 0.934 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000658522150 1187328526 /nfs/dbraw/zinc/32/85/26/1187328526.db2.gz MITGMAVEGJQNSG-DLBZAZTESA-N 0 3 394.516 0.027 20 0 GCADHN O=C(C(=O)N1CC[C@@H](N2CCCCC2)C1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658540132 1187333123 /nfs/dbraw/zinc/33/31/23/1187333123.db2.gz MQPMPTHRKBBESI-IAGOWNOFSA-N 0 3 376.501 0.544 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](OC)C2CCCC2)CC1 ZINC000658535263 1187336688 /nfs/dbraw/zinc/33/66/88/1187336688.db2.gz HOBCGHIRGXLXEZ-KRWDZBQOSA-N 0 3 396.532 0.320 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](OC)C2CCCC2)CC1 ZINC000658535264 1187336821 /nfs/dbraw/zinc/33/68/21/1187336821.db2.gz HOBCGHIRGXLXEZ-QGZVFWFLSA-N 0 3 396.532 0.320 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](C3CCC3)C2)CC1 ZINC000658536098 1187337178 /nfs/dbraw/zinc/33/71/78/1187337178.db2.gz MGPGDWFZLOQTIU-GOSISDBHSA-N 0 3 390.528 0.792 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CC(C)C)C1 ZINC000685716464 1187343413 /nfs/dbraw/zinc/34/34/13/1187343413.db2.gz PGMMJAZETZANOQ-WBVHZDCISA-N 0 3 379.505 0.710 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)C1 ZINC000685716179 1187343735 /nfs/dbraw/zinc/34/37/35/1187343735.db2.gz BOBSZLLSEGPWEV-INIZCTEOSA-N 0 3 397.497 0.395 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000658569856 1187350251 /nfs/dbraw/zinc/35/02/51/1187350251.db2.gz GBDMSUPFEGENFZ-LJQANCHMSA-N 0 3 388.512 0.762 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000658569744 1187350431 /nfs/dbraw/zinc/35/04/31/1187350431.db2.gz CYJJNKFXNROLIT-IBGZPJMESA-N 0 3 394.560 0.890 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC000612177795 1187358587 /nfs/dbraw/zinc/35/85/87/1187358587.db2.gz MLNILRLFTGKKJY-GJZGRUSLSA-N 0 3 388.468 0.517 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000612179071 1187361695 /nfs/dbraw/zinc/36/16/95/1187361695.db2.gz JTSUYDIZSXYKID-HOCLYGCPSA-N 0 3 388.468 0.517 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1O ZINC001024375435 1187365427 /nfs/dbraw/zinc/36/54/27/1187365427.db2.gz DXIJLMXRGWLRII-VQHPVUNQSA-N 0 3 381.517 0.754 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1O ZINC001024376370 1187366301 /nfs/dbraw/zinc/36/63/01/1187366301.db2.gz GKIWAOIZKNRVMD-OWYHZJEWSA-N 0 3 389.496 0.865 20 0 GCADHN Cc1[nH]nc(C(C)C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001024378162 1187375082 /nfs/dbraw/zinc/37/50/82/1187375082.db2.gz IFDJPUWKUBYUPN-QHSBEEBCSA-N 0 3 386.456 0.670 20 0 GCADHN COCCn1cc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)ccc1=O ZINC000647413825 1187394734 /nfs/dbraw/zinc/39/47/34/1187394734.db2.gz YXSWUTQYCRPEAB-LJQANCHMSA-N 0 3 385.464 0.644 20 0 GCADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000375793021 1187399003 /nfs/dbraw/zinc/39/90/03/1187399003.db2.gz MPZRXZOJDAHDED-AZYZYFAASA-N 0 3 383.514 0.497 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@H](CO)O1 ZINC000612220812 1187408851 /nfs/dbraw/zinc/40/88/51/1187408851.db2.gz KTSBPRQINHBQCJ-MAUKXSAKSA-N 0 3 390.484 0.018 20 0 GCADHN CO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CCCC1 ZINC000658677702 1187409255 /nfs/dbraw/zinc/40/92/55/1187409255.db2.gz SSOFMOSKPCXRBM-SJORKVTESA-N 0 3 394.516 0.073 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC(C3CCC3)CC2)CC1 ZINC000658678486 1187409471 /nfs/dbraw/zinc/40/94/71/1187409471.db2.gz XVVMLTIZTKWPNQ-GOSISDBHSA-N 0 3 390.528 0.790 20 0 GCADHN C[C@@H](O)CN(C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1)[C@H](C)CO ZINC000612220344 1187410151 /nfs/dbraw/zinc/41/01/51/1187410151.db2.gz AKMPYXOONBTJDF-HZPDHXFCSA-N 0 3 392.500 0.000 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000658701870 1187417831 /nfs/dbraw/zinc/41/78/31/1187417831.db2.gz WYIJDBJAJOFLPQ-UHFFFAOYSA-N 0 3 391.453 0.567 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000658706826 1187421080 /nfs/dbraw/zinc/42/10/80/1187421080.db2.gz BGPCLWATVBKPGP-CYBMUJFWSA-N 0 3 382.486 0.509 20 0 GCADHN COC[C@H](C)OC[C@H](O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000278787890 1187444261 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O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000612599163 1187538657 /nfs/dbraw/zinc/53/86/57/1187538657.db2.gz QEEVDJVNLCXWPB-CVEARBPZSA-N 0 3 375.473 0.833 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000612598140 1187538761 /nfs/dbraw/zinc/53/87/61/1187538761.db2.gz SDTJIWFXRATSCF-FUHWJXTLSA-N 0 3 379.501 0.631 20 0 GCADHN COCCN(Cc1ccccn1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612600501 1187539633 /nfs/dbraw/zinc/53/96/33/1187539633.db2.gz HSTNJWRSBJDBDA-SFHVURJKSA-N 0 3 390.484 0.426 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000612600427 1187539661 /nfs/dbraw/zinc/53/96/61/1187539661.db2.gz HUKPYDMFPOARGN-QGZVFWFLSA-N 0 3 390.484 0.293 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1)N1CCC[C@@H](C)C1 ZINC000612614347 1187541429 /nfs/dbraw/zinc/54/14/29/1187541429.db2.gz OOJWFTBCOJDRMQ-PMPSAXMXSA-N 0 3 380.533 0.986 20 0 GCADHN CCOC(=O)c1sc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)nc1C ZINC000588995907 1187547404 /nfs/dbraw/zinc/54/74/04/1187547404.db2.gz OAVMVDHQCJKHMH-CYBMUJFWSA-N 0 3 394.497 0.941 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000376043565 1187559886 /nfs/dbraw/zinc/55/98/86/1187559886.db2.gz QPFXEQQBLMQKQV-IAGOWNOFSA-N 0 3 381.517 0.973 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000413911885 1187583616 /nfs/dbraw/zinc/58/36/16/1187583616.db2.gz ZGCVKNXMCJZRAQ-LJQANCHMSA-N 0 3 388.512 0.611 20 0 GCADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1CC1 ZINC000612844513 1187603682 /nfs/dbraw/zinc/60/36/82/1187603682.db2.gz YMZCTDAYIRBLAN-MRXNPFEDSA-N 0 3 376.505 0.967 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000376102860 1187604292 /nfs/dbraw/zinc/60/42/92/1187604292.db2.gz KMYHWRPTIRDIFZ-KRWDZBQOSA-N 0 3 379.468 0.958 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)CC1 ZINC000376125731 1187619990 /nfs/dbraw/zinc/61/99/90/1187619990.db2.gz DJUUQPWMTKHNBK-IRXDYDNUSA-N 0 3 380.514 0.377 20 0 GCADHN CCN1CCN(C(=O)c2cc(C(=O)N3CCN(CC)[C@@H](C)C3)[nH]n2)C[C@H]1C ZINC000612952894 1187624843 /nfs/dbraw/zinc/62/48/43/1187624843.db2.gz GFLGSTFQTUPRRF-GASCZTMLSA-N 0 3 376.505 0.742 20 0 GCADHN CCN1CCN(C(=O)c2cc(C(=O)N3CCN(CC)[C@@H](C)C3)n[nH]2)C[C@H]1C ZINC000612952894 1187624846 /nfs/dbraw/zinc/62/48/46/1187624846.db2.gz GFLGSTFQTUPRRF-GASCZTMLSA-N 0 3 376.505 0.742 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000431719935 1187639966 /nfs/dbraw/zinc/63/99/66/1187639966.db2.gz TUBSPKUMVPRPKG-SUMWQHHRSA-N 0 3 387.484 0.764 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)N1CCN(Cc2cccs2)CC1 ZINC000613105518 1187665532 /nfs/dbraw/zinc/66/55/32/1187665532.db2.gz FVUFNTSCKONBBK-UHFFFAOYSA-N 0 3 395.558 0.733 20 0 GCADHN CN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCN(C)CC3(C)C)O2)C(C)(C)C1 ZINC000613169472 1187683616 /nfs/dbraw/zinc/68/36/16/1187683616.db2.gz SDHFVKBAAJMWJL-IYBDPMFKSA-N 0 3 380.533 0.639 20 0 GCADHN O=C(C(=O)N1CC[C@@H](N2CCCCC2)C1)N(CCN1CCOCC1)CC1CC1 ZINC000658882663 1187710116 /nfs/dbraw/zinc/71/01/16/1187710116.db2.gz LADBVAYFXAYJOO-LJQANCHMSA-N 0 3 392.544 0.644 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C[C@H]1O ZINC001024955992 1187716539 /nfs/dbraw/zinc/71/65/39/1187716539.db2.gz NTMZVGPNBRCYNB-NWUWZPLHSA-N 0 3 382.464 0.926 20 0 GCADHN O=C(CCN1CCN(C[C@H]2CCCO2)CC1)N1CCN(c2ncccn2)CC1 ZINC000613334872 1187722098 /nfs/dbraw/zinc/72/20/98/1187722098.db2.gz PSZMWIFEDCXEOL-GOSISDBHSA-N 0 3 388.516 0.312 20 0 GCADHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)Cn1cccn1 ZINC000414140605 1187736274 /nfs/dbraw/zinc/73/62/74/1187736274.db2.gz QZJQDZSEBGMXOC-YLJYHZDGSA-N 0 3 383.452 0.831 20 0 GCADHN CC(C)(CNC(=O)CN1CCCN(C[C@H]2CCCO2)CC1)N1CCOCC1 ZINC000613425369 1187747713 /nfs/dbraw/zinc/74/77/13/1187747713.db2.gz WMCWSJJGAQNJJZ-GOSISDBHSA-N 0 3 382.549 0.400 20 0 GCADHN O=C(CN1CCC[C@@H]1[C@@H]1COCC[C@H]1O)NC[C@@H]1COc2ccccc2O1 ZINC000332678347 1187754886 /nfs/dbraw/zinc/75/48/86/1187754886.db2.gz CWHLINHEKQPUTI-YYIAUSFCSA-N 0 3 376.453 0.804 20 0 GCADHN CN1CCN(CCNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1(C)C ZINC000332719774 1187756859 /nfs/dbraw/zinc/75/68/59/1187756859.db2.gz XGSAUTKQPNVANP-HOTGVXAUSA-N 0 3 378.517 0.694 20 0 GCADHN CS(=O)(=O)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000892552868 1187757969 /nfs/dbraw/zinc/75/79/69/1187757969.db2.gz FHRHETYRTGDJOU-ZWKOTPCHSA-N 0 3 395.525 0.972 20 0 GCADHN CNC(=O)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCC(C)CC2)n1C1CC1 ZINC000414215852 1187766932 /nfs/dbraw/zinc/76/69/32/1187766932.db2.gz YMFZJRXWTRHKQB-NSHDSACASA-N 0 3 398.489 0.467 20 0 GCADHN O=C(C(=O)N1CCC[C@H]1CN1CCOCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000575015174 1187767148 /nfs/dbraw/zinc/76/71/48/1187767148.db2.gz PDZRMLKYDIWJAN-MSOLQXFVSA-N 0 3 378.517 0.396 20 0 GCADHN CN1C(=O)CO[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)[C@@H]1c1ccccc1 ZINC000332799973 1187778508 /nfs/dbraw/zinc/77/85/08/1187778508.db2.gz ZVFQKBCOSXNYMC-NEWSRXKRSA-N 0 3 375.469 0.548 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cnc(CC(C)C)nc2)CC1 ZINC000472561676 1187779620 /nfs/dbraw/zinc/77/96/20/1187779620.db2.gz PNYZBHXEVOCHLM-OAHLLOKOSA-N 0 3 376.505 0.756 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cnc(CC(C)C)nc2)CC1 ZINC000472561674 1187779959 /nfs/dbraw/zinc/77/99/59/1187779959.db2.gz PNYZBHXEVOCHLM-HNNXBMFYSA-N 0 3 376.505 0.756 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1O ZINC001025047008 1187787227 /nfs/dbraw/zinc/78/72/27/1187787227.db2.gz MGBWRAUWNVMWEP-VQHPVUNQSA-N 0 3 381.517 0.754 20 0 GCADHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)Nc1cc(-n2cnnn2)ccc1F ZINC000472576896 1187810140 /nfs/dbraw/zinc/81/01/40/1187810140.db2.gz AQAYQPYYTVNHQQ-AWEZNQCLSA-N 0 3 389.435 0.394 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC(OC[C@H]3CCCO3)CC2)n1 ZINC000376396698 1187811446 /nfs/dbraw/zinc/81/14/46/1187811446.db2.gz PRKVCJFAPXXDGY-OAHLLOKOSA-N 0 3 380.493 0.104 20 0 GCADHN C[C@@H](O)CN(C)C(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000658953267 1187813894 /nfs/dbraw/zinc/81/38/94/1187813894.db2.gz IJTARBUSBSPKMP-QGZVFWFLSA-N 0 3 376.501 0.102 20 0 GCADHN Cc1cc(CN2CCN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)CC2)no1 ZINC000186099378 1187824366 /nfs/dbraw/zinc/82/43/66/1187824366.db2.gz CAYMWIDJQRUESS-INIZCTEOSA-N 0 3 378.521 0.836 20 0 GCADHN NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000658989802 1187832144 /nfs/dbraw/zinc/83/21/44/1187832144.db2.gz ZGDGHHCOQABTFI-OAHLLOKOSA-N 0 3 399.455 0.412 20 0 GCADHN CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000659020953 1187844118 /nfs/dbraw/zinc/84/41/18/1187844118.db2.gz CCPLKISKLRMZDJ-UHFFFAOYSA-N 0 3 383.474 0.125 20 0 GCADHN C[C@@](O)(CNC(=O)CCN1CCN(c2ccccc2)CC1)CN1CCOCC1 ZINC000176324850 1187844979 /nfs/dbraw/zinc/84/49/79/1187844979.db2.gz QGCKEIWXPLYNEY-OAQYLSRUSA-N 0 3 390.528 0.398 20 0 GCADHN CC(C)Cc1ncc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cn1 ZINC000472602756 1187870653 /nfs/dbraw/zinc/87/06/53/1187870653.db2.gz VYSWCQULAPSDTF-HNNXBMFYSA-N 0 3 376.505 0.613 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2=O)n1 ZINC000376482641 1187876699 /nfs/dbraw/zinc/87/66/99/1187876699.db2.gz CBPKHQXDTPANBT-KKUMJFAQSA-N 0 3 376.461 0.078 20 0 GCADHN COC1(C(F)(F)F)CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000892648974 1187878186 /nfs/dbraw/zinc/87/81/86/1187878186.db2.gz IGKAFYQYGBEMBX-GFCCVEGCSA-N 0 3 380.411 0.902 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1cnc2n1CCOC2 ZINC000892648657 1187880036 /nfs/dbraw/zinc/88/00/36/1187880036.db2.gz KRHHSGAMFNCQHY-HNNXBMFYSA-N 0 3 378.477 0.155 20 0 GCADHN CCc1nsc(N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)n1 ZINC000376487871 1187881009 /nfs/dbraw/zinc/88/10/09/1187881009.db2.gz YHUAOGBMNSUNFN-UONOGXRCSA-N 0 3 380.518 0.795 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000659104884 1187882187 /nfs/dbraw/zinc/88/21/87/1187882187.db2.gz SFJBLRJLYLQGPL-CQSZACIVSA-N 0 3 386.452 0.578 20 0 GCADHN CCc1c(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cnn1CCC(C)C ZINC000659111034 1187885707 /nfs/dbraw/zinc/88/57/07/1187885707.db2.gz XUVKWHWESFVESH-UHFFFAOYSA-N 0 3 389.460 0.701 20 0 GCADHN CC(C)Cn1ncc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1C1CC1 ZINC000659111049 1187885721 /nfs/dbraw/zinc/88/57/21/1187885721.db2.gz YFDWSLGIQIAUAZ-UHFFFAOYSA-N 0 3 387.444 0.626 20 0 GCADHN C[C@@H](NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892653056 1187885739 /nfs/dbraw/zinc/88/57/39/1187885739.db2.gz FZOVRIOCHPWZGJ-ZIAGYGMSSA-N 0 3 389.518 0.479 20 0 GCADHN CC[C@H]1CCc2nc(NC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)sc2C1 ZINC000659110797 1187886527 /nfs/dbraw/zinc/88/65/27/1187886527.db2.gz UDQRPIVJQNSKHH-VIFPVBQESA-N 0 3 390.469 0.867 20 0 GCADHN CCC[C@H]1CN(c2nnc(C)n2CCS(=O)(=O)NC)CCN1CCOC ZINC001745331921 1187888527 /nfs/dbraw/zinc/88/85/27/1187888527.db2.gz MKNSNNONJRSZHL-HNNXBMFYSA-N 0 3 388.538 0.073 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@@H]2CCN(C)C2)CCN1CCOC ZINC000647567481 1187895517 /nfs/dbraw/zinc/89/55/17/1187895517.db2.gz VZMHUUXRBDQYHF-QZTJIDSGSA-N 0 3 382.549 0.888 20 0 GCADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCCN(C3CCCC3)CC1)CCO2 ZINC000659132361 1187900432 /nfs/dbraw/zinc/90/04/32/1187900432.db2.gz CCLAXXJQASIOKA-OXQOHEQNSA-N 0 3 379.501 0.870 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000584514876 1187901204 /nfs/dbraw/zinc/90/12/04/1187901204.db2.gz YIYREELXQQLWCK-DOTOQJQBSA-N 0 3 392.504 0.387 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)CC1 ZINC000613541674 1187912909 /nfs/dbraw/zinc/91/29/09/1187912909.db2.gz QVPGNZRZGYGFBX-RTBURBONSA-N 0 3 399.539 0.287 20 0 GCADHN CCOC[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCO1 ZINC000636462665 1187915152 /nfs/dbraw/zinc/91/51/52/1187915152.db2.gz LVGABRUXLFSTAP-ROUUACIJSA-N 0 3 377.485 0.539 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3c3nnc4n3CCCC4)C[C@@H]21 ZINC000659225710 1187915439 /nfs/dbraw/zinc/91/54/39/1187915439.db2.gz MFBTZACHTBGPOR-OAGGEKHMSA-N 0 3 386.500 0.831 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)N3CCCO[C@H](C)C3)CC2)C[C@H](C)O1 ZINC000659299528 1187928086 /nfs/dbraw/zinc/92/80/86/1187928086.db2.gz WBUKIKPXFPDYAV-IKGGRYGDSA-N 0 3 381.517 0.972 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000659324667 1187943819 /nfs/dbraw/zinc/94/38/19/1187943819.db2.gz IHSDFUWBEFLDSL-CALCHBBNSA-N 0 3 376.501 0.402 20 0 GCADHN CN(CCOC(C)(C)C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659324767 1187943884 /nfs/dbraw/zinc/94/38/84/1187943884.db2.gz QQJNYZLSRHABGG-UHFFFAOYSA-N 0 3 382.505 0.027 20 0 GCADHN COC1(CO)CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(C)c2)CC1 ZINC000659344334 1187945688 /nfs/dbraw/zinc/94/56/88/1187945688.db2.gz HGADZSAZBIHHTF-UHFFFAOYSA-N 0 3 391.512 0.885 20 0 GCADHN O=C(C(=O)N1CCN(c2ccccc2)C(=O)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000659345415 1187948430 /nfs/dbraw/zinc/94/84/30/1187948430.db2.gz PELDLTQHEZGCPG-GOSISDBHSA-N 0 3 384.480 0.949 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000659376382 1187950795 /nfs/dbraw/zinc/95/07/95/1187950795.db2.gz LSGNHEWUPOXYNN-KRWDZBQOSA-N 0 3 381.448 0.842 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000973366423 1187953614 /nfs/dbraw/zinc/95/36/14/1187953614.db2.gz ROEDCBGBIGTDQE-UGDFAFBOSA-N 0 3 379.501 0.676 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000647651472 1187957618 /nfs/dbraw/zinc/95/76/18/1187957618.db2.gz NOBNBOQTRDJBSX-LZLYRXPVSA-N 0 3 397.541 0.965 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2cccc(CN3CCOCC3)c2)n1 ZINC000659439639 1187958225 /nfs/dbraw/zinc/95/82/25/1187958225.db2.gz LMZXRPIZNMPKSM-UHFFFAOYSA-N 0 3 386.456 0.473 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1F ZINC000376593145 1187959373 /nfs/dbraw/zinc/95/93/73/1187959373.db2.gz QGSHHKCGLCLTAR-CHWSQXEVSA-N 0 3 386.449 0.719 20 0 GCADHN COc1cc(OC)c(CCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(OC)c1 ZINC000659451152 1187960158 /nfs/dbraw/zinc/96/01/58/1187960158.db2.gz CIKUBGMEMKGIOY-UHFFFAOYSA-N 0 3 391.428 0.709 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC ZINC000892686619 1187960282 /nfs/dbraw/zinc/96/02/82/1187960282.db2.gz CHPHWKSRZDEYEI-OAHLLOKOSA-N 0 3 388.509 0.842 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1COC ZINC000892686618 1187960440 /nfs/dbraw/zinc/96/04/40/1187960440.db2.gz CHPHWKSRZDEYEI-HNNXBMFYSA-N 0 3 388.509 0.842 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCNC(=O)c2c(F)cccc2F)n1 ZINC000659454678 1187961234 /nfs/dbraw/zinc/96/12/34/1187961234.db2.gz MKKDXURAVBIQOF-UHFFFAOYSA-N 0 3 380.355 0.148 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000659491993 1187965562 /nfs/dbraw/zinc/96/55/62/1187965562.db2.gz PERLTJYZCSEDRC-HNNXBMFYSA-N 0 3 398.467 0.674 20 0 GCADHN COC[C@]1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)OCCc2ccccc21 ZINC000659494693 1187966143 /nfs/dbraw/zinc/96/61/43/1187966143.db2.gz ZZTPQLPYCMDGJY-IBGZPJMESA-N 0 3 387.440 0.555 20 0 GCADHN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H]1n1cccn1 ZINC000659500941 1187966888 /nfs/dbraw/zinc/96/68/88/1187966888.db2.gz LIDQXSDJIRPRQV-IOASZLSFSA-N 0 3 389.460 0.834 20 0 GCADHN CC(=O)NCCN(C(=O)NC[C@@H](C)CN1CCN(C)CC1)C1CCSCC1 ZINC000549109664 1187969468 /nfs/dbraw/zinc/96/94/68/1187969468.db2.gz XXXSUDXMHCDBHS-MRXNPFEDSA-N 0 3 399.605 0.913 20 0 GCADHN CCc1nocc1CNCC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104673380 1187975324 /nfs/dbraw/zinc/97/53/24/1187975324.db2.gz WWHFGNQQMZYKKA-UTJXIGIESA-N 0 3 378.473 0.844 20 0 GCADHN C[C@@H](c1nccs1)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659630231 1187978392 /nfs/dbraw/zinc/97/83/92/1187978392.db2.gz HIXBPAYHGFDIDZ-NSHDSACASA-N 0 3 377.474 0.686 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)n1 ZINC000659630651 1187978566 /nfs/dbraw/zinc/97/85/66/1187978566.db2.gz LGAWABSKXMWWPL-YMTOWFKASA-N 0 3 377.367 0.924 20 0 GCADHN COc1nccc(CNCC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2C)n1 ZINC001104685422 1187983612 /nfs/dbraw/zinc/98/36/12/1187983612.db2.gz JBIPFWSXEYPQIC-LVQVYYBASA-N 0 3 389.500 0.961 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CC[NH2+]Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001104686538 1187984394 /nfs/dbraw/zinc/98/43/94/1187984394.db2.gz HJZPQUFERLKSER-CUBALJKWSA-N 0 3 387.484 0.755 20 0 GCADHN CSc1cc(C)ccc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659672466 1187990393 /nfs/dbraw/zinc/99/03/93/1187990393.db2.gz WEJVVZUEAFUZDF-UHFFFAOYSA-N 0 3 375.454 0.604 20 0 GCADHN CSc1ccc(F)cc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659672025 1187990913 /nfs/dbraw/zinc/99/09/13/1187990913.db2.gz MXAWUCWHERLIEC-UHFFFAOYSA-N 0 3 379.417 0.435 20 0 GCADHN COc1cncc(CNCC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2C)n1 ZINC001104691232 1187992146 /nfs/dbraw/zinc/99/21/46/1187992146.db2.gz UVYONXNHQHSDKG-SRABZTEZSA-N 0 3 389.500 0.784 20 0 GCADHN CC[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1ccccc1F ZINC000659678966 1187992655 /nfs/dbraw/zinc/99/26/55/1187992655.db2.gz AZJIRDZYNJDKIN-LBPRGKRZSA-N 0 3 391.403 0.370 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000659674216 1187993645 /nfs/dbraw/zinc/99/36/45/1187993645.db2.gz RDWFQDNKQKOHTJ-CZUORRHYSA-N 0 3 399.451 0.541 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000659674208 1187993716 /nfs/dbraw/zinc/99/37/16/1187993716.db2.gz RDWFQDNKQKOHTJ-BBRMVZONSA-N 0 3 399.451 0.541 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000659685930 1187996793 /nfs/dbraw/zinc/99/67/93/1187996793.db2.gz AFKVUJYLEVFVHQ-CYBMUJFWSA-N 0 3 384.440 0.042 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCC2(c3ccccc3)CCCC2)n1 ZINC000659683128 1187999629 /nfs/dbraw/zinc/99/96/29/1187999629.db2.gz OBBUNQVDYXGEMS-UHFFFAOYSA-N 0 3 383.452 0.885 20 0 GCADHN CCCCO[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659692562 1188000192 /nfs/dbraw/zinc/00/01/92/1188000192.db2.gz SMKYGMVINSSFSU-CHWSQXEVSA-N 0 3 379.461 0.357 20 0 GCADHN CCO[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(CC)CC ZINC000659691256 1188000254 /nfs/dbraw/zinc/00/02/54/1188000254.db2.gz FRBUEPDHSCVKPK-OLZOCXBDSA-N 0 3 379.461 0.357 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000659693202 1188001021 /nfs/dbraw/zinc/00/10/21/1188001021.db2.gz DAVKTDSWZQLRHC-GJZGRUSLSA-N 0 3 383.452 0.785 20 0 GCADHN CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659697448 1188001524 /nfs/dbraw/zinc/00/15/24/1188001524.db2.gz HIPAMWCICYTIRE-GFCCVEGCSA-N 0 3 387.440 0.922 20 0 GCADHN CC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(F)cc1F ZINC000659697573 1188001593 /nfs/dbraw/zinc/00/15/93/1188001593.db2.gz YKQAMQFVLVSPRH-CYBMUJFWSA-N 0 3 379.367 0.803 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCC2(c3ccc(Cl)cc3)CC2)n1 ZINC000659701060 1188004843 /nfs/dbraw/zinc/00/48/43/1188004843.db2.gz BGPBCSWQDBRFPN-UHFFFAOYSA-N 0 3 389.843 0.759 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)n1 ZINC000659702703 1188005069 /nfs/dbraw/zinc/00/50/69/1188005069.db2.gz RUKFILSNHFGXSP-GFCCVEGCSA-N 0 3 391.428 0.750 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H]2SCCc3ccccc32)n1 ZINC000659705493 1188005523 /nfs/dbraw/zinc/00/55/23/1188005523.db2.gz WMUMMVJQKGLCQW-CQSZACIVSA-N 0 3 387.465 0.404 20 0 GCADHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C12CCCCC2 ZINC000659702781 1188005927 /nfs/dbraw/zinc/00/59/27/1188005927.db2.gz UNOVESHMJRONOS-ZIAGYGMSSA-N 0 3 391.472 0.501 20 0 GCADHN CCO[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C12CCCCC2 ZINC000659702778 1188006047 /nfs/dbraw/zinc/00/60/47/1188006047.db2.gz UNOVESHMJRONOS-KBPBESRZSA-N 0 3 391.472 0.501 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1cccc(OC)c1 ZINC000659717188 1188006454 /nfs/dbraw/zinc/00/64/54/1188006454.db2.gz FRGSSNLHIZENSQ-WQVCFCJDSA-N 0 3 379.457 0.728 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCc3ccccc3CC2)CC1 ZINC000659720805 1188008513 /nfs/dbraw/zinc/00/85/13/1188008513.db2.gz YBRGZMWEAKHSMI-IBGZPJMESA-N 0 3 398.507 0.379 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)n(C)n1 ZINC000120169432 1188009307 /nfs/dbraw/zinc/00/93/07/1188009307.db2.gz ZKRRMYHLMGEFEH-UHFFFAOYSA-N 0 3 398.511 0.991 20 0 GCADHN COC(=O)c1c(C)csc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000376655553 1188013901 /nfs/dbraw/zinc/01/39/01/1188013901.db2.gz HUSQPZJXYSJDNU-VXGBXAGGSA-N 0 3 381.454 0.761 20 0 GCADHN Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000376660732 1188015352 /nfs/dbraw/zinc/01/53/52/1188015352.db2.gz SVWFQQZHICXAGR-GHMZBOCLSA-N 0 3 389.378 0.665 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000278814749 1188026219 /nfs/dbraw/zinc/02/62/19/1188026219.db2.gz HWSYBEYEVIDWLE-CQSZACIVSA-N 0 3 390.488 0.879 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N[C@@H]1CCCn2nc(C(=O)OC)cc21 ZINC000892943636 1188027329 /nfs/dbraw/zinc/02/73/29/1188027329.db2.gz JDSGLOUBXUSXLC-UONOGXRCSA-N 0 3 379.461 0.915 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCn2nc(C(=O)OC)cc21 ZINC000892943777 1188027432 /nfs/dbraw/zinc/02/74/32/1188027432.db2.gz JDSGLOUBXUSXLC-ZIAGYGMSSA-N 0 3 379.461 0.915 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CCCn2nc(C(=O)OC)cc21 ZINC000892943635 1188027457 /nfs/dbraw/zinc/02/74/57/1188027457.db2.gz JDSGLOUBXUSXLC-KGLIPLIRSA-N 0 3 379.461 0.915 20 0 GCADHN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N1CCCNCC1 ZINC000415305675 1188027566 /nfs/dbraw/zinc/02/75/66/1188027566.db2.gz HLNYZRLEMDOAHS-UHFFFAOYSA-N 0 3 394.497 0.622 20 0 GCADHN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415315439 1188029878 /nfs/dbraw/zinc/02/98/78/1188029878.db2.gz ZSXZKDCFFHCRDT-CQSZACIVSA-N 0 3 396.513 0.665 20 0 GCADHN O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)C(=O)N1CCCNCC1 ZINC000415309868 1188030229 /nfs/dbraw/zinc/03/02/29/1188030229.db2.gz NUICROQSZGJYEN-UHFFFAOYSA-N 0 3 393.451 0.878 20 0 GCADHN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCCNCC1 ZINC000415314977 1188031321 /nfs/dbraw/zinc/03/13/21/1188031321.db2.gz HCTVSZMOCNIPGN-UHFFFAOYSA-N 0 3 398.485 0.096 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000377482354 1188033511 /nfs/dbraw/zinc/03/35/11/1188033511.db2.gz VMKSNCDKCDOUHL-CABCVRRESA-N 0 3 383.470 0.462 20 0 GCADHN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1Cl ZINC000415324092 1188033974 /nfs/dbraw/zinc/03/39/74/1188033974.db2.gz UFYLFMXIVZEWKC-UHFFFAOYSA-N 0 3 382.848 0.567 20 0 GCADHN COc1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc(Cl)c1OCC(N)=O ZINC000377481328 1188037873 /nfs/dbraw/zinc/03/78/73/1188037873.db2.gz IXENOFHDFLDLHZ-CHWSQXEVSA-N 0 3 397.859 0.806 20 0 GCADHN CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000377481700 1188038283 /nfs/dbraw/zinc/03/82/83/1188038283.db2.gz MWZBZMPPIBWIRK-CVEARBPZSA-N 0 3 381.498 0.507 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2O)O1 ZINC001025760499 1188043553 /nfs/dbraw/zinc/04/35/53/1188043553.db2.gz VZBGAKMIROJZOO-BNEJOLLZSA-N 0 3 375.469 0.617 20 0 GCADHN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCNC[C@@H]2C)c1 ZINC000415340417 1188049352 /nfs/dbraw/zinc/04/93/52/1188049352.db2.gz MJVBTLRHWMKRFE-AWEZNQCLSA-N 0 3 375.473 0.726 20 0 GCADHN O=C(CNC(=O)c1ccccc1OC(F)F)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377513719 1188060226 /nfs/dbraw/zinc/06/02/26/1188060226.db2.gz VUBOPCKYLHJENM-OLZOCXBDSA-N 0 3 383.395 0.997 20 0 GCADHN CNC(=O)COc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000377514098 1188060410 /nfs/dbraw/zinc/06/04/10/1188060410.db2.gz XSGCZGIIWQWZRM-GJZGRUSLSA-N 0 3 377.441 0.413 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000415399534 1188071558 /nfs/dbraw/zinc/07/15/58/1188071558.db2.gz YLUDRKUUINKVRT-LEWSCRJBSA-N 0 3 375.429 0.672 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000415399530 1188071800 /nfs/dbraw/zinc/07/18/00/1188071800.db2.gz YLUDRKUUINKVRT-BPNCWPANSA-N 0 3 375.429 0.672 20 0 GCADHN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN[C@H](C)C2)c1 ZINC000415437353 1188080446 /nfs/dbraw/zinc/08/04/46/1188080446.db2.gz PFHFWDWFWGEFSJ-CQSZACIVSA-N 0 3 375.473 0.726 20 0 GCADHN COc1ccc(COC[C@@H](O)CN[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000644582998 1188089181 /nfs/dbraw/zinc/08/91/81/1188089181.db2.gz OEJJTESIARXRIM-HKUYNNGSSA-N 0 3 378.469 0.942 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000377712972 1188112754 /nfs/dbraw/zinc/11/27/54/1188112754.db2.gz QPCSYRIVASWDPW-QGZVFWFLSA-N 0 3 379.501 0.871 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000377712971 1188112868 /nfs/dbraw/zinc/11/28/68/1188112868.db2.gz QPCSYRIVASWDPW-KRWDZBQOSA-N 0 3 379.501 0.871 20 0 GCADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000377727217 1188118001 /nfs/dbraw/zinc/11/80/01/1188118001.db2.gz LSSFPNRKRJJNHP-HOTGVXAUSA-N 0 3 388.468 0.663 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000377728374 1188118939 /nfs/dbraw/zinc/11/89/39/1188118939.db2.gz NMQLCXINFDNBAK-STQMWFEESA-N 0 3 390.465 0.649 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c1 ZINC000415604603 1188121561 /nfs/dbraw/zinc/12/15/61/1188121561.db2.gz MYWXHDLCTSCRPN-QGZVFWFLSA-N 0 3 387.484 0.110 20 0 GCADHN Cc1c(NC(=O)NC[C@H]2CNCCO2)nnn1CCOc1ccc(F)cc1 ZINC000415684151 1188139641 /nfs/dbraw/zinc/13/96/41/1188139641.db2.gz XDOAXCHODXRGIR-OAHLLOKOSA-N 0 3 378.408 0.915 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2NCCc3ccccc32)cc1-n1cnnn1 ZINC000415703458 1188146510 /nfs/dbraw/zinc/14/65/10/1188146510.db2.gz FFWHJWWGYUWCEE-KRWDZBQOSA-N 0 3 391.435 0.912 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 ZINC000415773505 1188161622 /nfs/dbraw/zinc/16/16/22/1188161622.db2.gz VZTKERANLVLIAS-BXUZGUMPSA-N 0 3 377.445 0.526 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000027390384 1189365320 /nfs/dbraw/zinc/36/53/20/1189365320.db2.gz FRBIDCXULQFRMU-UHFFFAOYSA-N 0 3 394.541 0.945 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000377917282 1189373494 /nfs/dbraw/zinc/37/34/94/1189373494.db2.gz SGTBKIMLPPFYQG-RBUKOAKNSA-N 0 3 394.560 0.888 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@H]2CNCCO2)cccc1OCC(F)(F)F ZINC000415862404 1189385399 /nfs/dbraw/zinc/38/53/99/1189385399.db2.gz JYZNNJONNAQQRJ-LLVKDONJSA-N 0 3 375.347 0.979 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000415863006 1189385457 /nfs/dbraw/zinc/38/54/57/1189385457.db2.gz LFIZCBUFJNVLMF-CQSZACIVSA-N 0 3 377.832 0.628 20 0 GCADHN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415861725 1189385508 /nfs/dbraw/zinc/38/55/08/1189385508.db2.gz JPGIRBYXZQCGDE-JTQLQIEISA-N 0 3 383.470 0.875 20 0 GCADHN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000415863075 1189386392 /nfs/dbraw/zinc/38/63/92/1189386392.db2.gz LHKVDTNGAPWHJS-LBPRGKRZSA-N 0 3 383.832 0.948 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@H]2CNCCO2)c(OC[C@@H]2CCCO2)c1 ZINC000415858329 1189387175 /nfs/dbraw/zinc/38/71/75/1189387175.db2.gz DQGGIYSACUFZPT-LSDHHAIUSA-N 0 3 377.441 0.596 20 0 GCADHN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415868145 1189389532 /nfs/dbraw/zinc/38/95/32/1189389532.db2.gz QAIIEHURMGDMQE-AAEUAGOBSA-N 0 3 385.848 0.797 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000415869949 1189390152 /nfs/dbraw/zinc/39/01/52/1189390152.db2.gz RRIWDONEYZOHNM-KGLIPLIRSA-N 0 3 397.859 0.941 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N(C)CC(=O)NCc1ccccc1 ZINC000472916892 1189391169 /nfs/dbraw/zinc/39/11/69/1189391169.db2.gz UQMJAWKAANOSAK-KRWDZBQOSA-N 0 3 375.517 0.970 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000415873843 1189391768 /nfs/dbraw/zinc/39/17/68/1189391768.db2.gz ZEDRBKOCJHCOOY-QGZVFWFLSA-N 0 3 388.468 0.792 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CNCCO2)ccc1OCC(F)(F)F ZINC000415870509 1189392763 /nfs/dbraw/zinc/39/27/63/1189392763.db2.gz SXDRUZRBWQTNLR-LBPRGKRZSA-N 0 3 375.347 0.979 20 0 GCADHN CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415871491 1189393696 /nfs/dbraw/zinc/39/36/96/1189393696.db2.gz VEPJWYFCAKVWHP-NSHDSACASA-N 0 3 381.454 0.845 20 0 GCADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000271264226 1189412338 /nfs/dbraw/zinc/41/23/38/1189412338.db2.gz VNAXABVWTZANTK-UHFFFAOYSA-N 0 3 382.424 0.738 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415981691 1189412717 /nfs/dbraw/zinc/41/27/17/1189412717.db2.gz CKQZZIXWCVZVGS-VXGBXAGGSA-N 0 3 378.429 0.746 20 0 GCADHN CNS(=O)(=O)c1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000659880057 1189412740 /nfs/dbraw/zinc/41/27/40/1189412740.db2.gz ZYIZMAZPEKCUDS-UHFFFAOYSA-N 0 3 380.514 0.335 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)CC1(C)OCCO1 ZINC000378178017 1189437030 /nfs/dbraw/zinc/43/70/30/1189437030.db2.gz LWWIWYRMTCDCJS-HZPDHXFCSA-N 0 3 382.505 0.724 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000511537803 1189437751 /nfs/dbraw/zinc/43/77/51/1189437751.db2.gz IGAZGYKTADYVRU-JYJNAYRXSA-N 0 3 379.505 0.382 20 0 GCADHN CCc1nc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cn1CC1CC1 ZINC000659902578 1189438450 /nfs/dbraw/zinc/43/84/50/1189438450.db2.gz WWWIJTLIPFVBKL-HNNXBMFYSA-N 0 3 397.545 0.721 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H]2CCCC[C@@H]12 ZINC000659903270 1189440346 /nfs/dbraw/zinc/44/03/46/1189440346.db2.gz XBQXJJMVUWSBMX-SQNIBIBYSA-N 0 3 390.528 0.790 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378228492 1189449007 /nfs/dbraw/zinc/44/90/07/1189449007.db2.gz NEQYRAXVLSWZMA-WFASDCNBSA-N 0 3 384.502 0.949 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)CC1 ZINC000659915619 1189449309 /nfs/dbraw/zinc/44/93/09/1189449309.db2.gz USZXLALTICZYRA-ZWKOTPCHSA-N 0 3 391.578 0.764 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC1 ZINC000659915616 1189449757 /nfs/dbraw/zinc/44/97/57/1189449757.db2.gz USZXLALTICZYRA-MSOLQXFVSA-N 0 3 391.578 0.764 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCCC1 ZINC000041597446 1189453781 /nfs/dbraw/zinc/45/37/81/1189453781.db2.gz BMFLEKUKHIEHMB-CYBMUJFWSA-N 0 3 382.486 0.476 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000041640402 1189455360 /nfs/dbraw/zinc/45/53/60/1189455360.db2.gz CZEOZWLAXHCEKD-CQSZACIVSA-N 0 3 375.473 0.726 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1OCC(N)=O ZINC000041711697 1189456680 /nfs/dbraw/zinc/45/66/80/1189456680.db2.gz WEKRJUWTLQCHCE-ZDUSSCGKSA-N 0 3 392.456 0.346 20 0 GCADHN COC(=O)c1cc(S(N)(=O)=O)ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000378296662 1189467293 /nfs/dbraw/zinc/46/72/93/1189467293.db2.gz VEKHSLSKIDOZSY-CYBMUJFWSA-N 0 3 383.470 0.786 20 0 GCADHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000378305936 1189468601 /nfs/dbraw/zinc/46/86/01/1189468601.db2.gz KPDRPCNKXYCNRT-RHSMWYFYSA-N 0 3 380.514 0.504 20 0 GCADHN O=C([C@H]1CN2CCN1CCC2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000378302243 1189469584 /nfs/dbraw/zinc/46/95/84/1189469584.db2.gz VISVNKYVKSKQOK-QGZVFWFLSA-N 0 3 396.488 0.049 20 0 GCADHN CN1C[C@H](NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)[C@@H](c2ccccc2)C1 ZINC000378304713 1189470682 /nfs/dbraw/zinc/47/06/82/1189470682.db2.gz ICADSIUWQNOMNQ-KGLIPLIRSA-N 0 3 396.451 0.509 20 0 GCADHN CN1CCC(CNS(=O)(=O)c2ccc(N)cc2F)(N2CCOCC2)CC1 ZINC000659979853 1189501757 /nfs/dbraw/zinc/50/17/57/1189501757.db2.gz PXMHMRLORQJEFP-UHFFFAOYSA-N 0 3 386.493 0.483 20 0 GCADHN CCN1CCN(CCCNC(=O)[C@H](C)NC(=O)COc2ccccc2)CC1 ZINC000042773387 1189504538 /nfs/dbraw/zinc/50/45/38/1189504538.db2.gz ZRJSTOLLNSAOAT-KRWDZBQOSA-N 0 3 376.501 0.714 20 0 GCADHN C[C@H]1CN(CCC2CCN(C(=O)NCC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000378448615 1189510602 /nfs/dbraw/zinc/51/06/02/1189510602.db2.gz CYMDHKZSWLMPAK-IRXDYDNUSA-N 0 3 396.532 0.766 20 0 GCADHN C[C@H]1CCSCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000660001187 1189519914 /nfs/dbraw/zinc/51/99/14/1189519914.db2.gz AEWGKYUHAPFBJL-GJZGRUSLSA-N 0 3 382.530 0.105 20 0 GCADHN COC(=O)[C@@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C(=O)OC)C1 ZINC000378602892 1189546554 /nfs/dbraw/zinc/54/65/54/1189546554.db2.gz YBVRRKDQQXZUAB-HZPDHXFCSA-N 0 3 396.484 0.975 20 0 GCADHN CCCN(CC1CC1)S(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000416582521 1189555879 /nfs/dbraw/zinc/55/58/79/1189555879.db2.gz LNAGOFAJBFYQRV-UHFFFAOYSA-N 0 3 388.578 0.739 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000184304502 1189558970 /nfs/dbraw/zinc/55/89/70/1189558970.db2.gz ZJIDXSUJDSQSBG-AWEZNQCLSA-N 0 3 385.534 0.031 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000416700606 1189573573 /nfs/dbraw/zinc/57/35/73/1189573573.db2.gz XWMLDFAMTOCHFK-INIZCTEOSA-N 0 3 398.548 0.796 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCO1 ZINC000660080694 1189578247 /nfs/dbraw/zinc/57/82/47/1189578247.db2.gz LKWZEWWZYJYVJO-ROUUACIJSA-N 0 3 375.469 0.593 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)CC1 ZINC000363930890 1189579116 /nfs/dbraw/zinc/57/91/16/1189579116.db2.gz DQWXBMZGQKPDCN-JXFKEZNVSA-N 0 3 391.516 0.334 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000363951711 1189586762 /nfs/dbraw/zinc/58/67/62/1189586762.db2.gz ZFBUUUCDLCPVJD-ZFWWWQNUSA-N 0 3 398.529 0.389 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1F ZINC000363974516 1189599907 /nfs/dbraw/zinc/59/99/07/1189599907.db2.gz NEYKOBQCILBRPD-NSHDSACASA-N 0 3 387.419 0.815 20 0 GCADHN CS(=O)(=O)CC1(CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000584599123 1189609681 /nfs/dbraw/zinc/60/96/81/1189609681.db2.gz QIHPZWRBLMLTLV-HNNXBMFYSA-N 0 3 379.482 0.012 20 0 GCADHN CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](c1nc(-c2nc[n-]n2)no1)C(C)(C)C ZINC000584604187 1189610839 /nfs/dbraw/zinc/61/08/39/1189610839.db2.gz CJACOTUUGOYQTE-QWRGUYRKSA-N 0 3 378.437 0.158 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000584604187 1189610841 /nfs/dbraw/zinc/61/08/41/1189610841.db2.gz CJACOTUUGOYQTE-QWRGUYRKSA-N 0 3 378.437 0.158 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2C[C@H](C)NC[C@H]2C)cc1 ZINC000417121926 1189619158 /nfs/dbraw/zinc/61/91/58/1189619158.db2.gz AAOMQPJKJPDIGP-UONOGXRCSA-N 0 3 384.502 0.503 20 0 GCADHN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000364031371 1189619800 /nfs/dbraw/zinc/61/98/00/1189619800.db2.gz GHFNSYIKPPLDTO-RDJZCZTQSA-N 0 3 390.484 0.975 20 0 GCADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1C[C@H](O)C[C@H]1CO ZINC000364048100 1189630186 /nfs/dbraw/zinc/63/01/86/1189630186.db2.gz NPEBYEIQJZNIME-VQTJNVASSA-N 0 3 390.528 0.722 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000660176940 1189635649 /nfs/dbraw/zinc/63/56/49/1189635649.db2.gz MNWUDZMRVRQKIK-DLBZAZTESA-N 0 3 379.457 0.576 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000660176916 1189635679 /nfs/dbraw/zinc/63/56/79/1189635679.db2.gz AARRUXFBIIHXOC-UHFFFAOYSA-N 0 3 380.489 0.085 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000660176926 1189635774 /nfs/dbraw/zinc/63/57/74/1189635774.db2.gz DEQVFXKQFJWEGU-QGZVFWFLSA-N 0 3 392.500 0.493 20 0 GCADHN CN(C(=O)NCCN1C(=O)CCC1=O)C1CCN(CCc2ccccn2)CC1 ZINC000364060579 1189636040 /nfs/dbraw/zinc/63/60/40/1189636040.db2.gz WDNKSRZQLNNCAV-UHFFFAOYSA-N 0 3 387.484 0.879 20 0 GCADHN CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000473024062 1189638829 /nfs/dbraw/zinc/63/88/29/1189638829.db2.gz OUQKTANNEDKBER-SZMVWBNQSA-N 0 3 378.496 0.181 20 0 GCADHN COC1(CO)CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000660182105 1189640675 /nfs/dbraw/zinc/64/06/75/1189640675.db2.gz YJQTWHPATAXWLT-UHFFFAOYSA-N 0 3 383.514 0.638 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Cl ZINC000584732680 1189642301 /nfs/dbraw/zinc/64/23/01/1189642301.db2.gz RHZIQDMLRIHGJJ-YPMHNXCESA-N 0 3 393.831 0.007 20 0 GCADHN CCCCOc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000584730963 1189642912 /nfs/dbraw/zinc/64/29/12/1189642912.db2.gz CKOYSKKKADUCPP-WBVHZDCISA-N 0 3 388.468 0.252 20 0 GCADHN CCCNC(=O)NC(=O)CNCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCC1 ZINC001267841474 1189656284 /nfs/dbraw/zinc/65/62/84/1189656284.db2.gz RZCHAJWPOMDEOS-NMNMXBMNSA-N 0 3 392.500 0.664 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CC[C@H](C(=O)OC)CC2)CC1=O ZINC000584806585 1189674910 /nfs/dbraw/zinc/67/49/10/1189674910.db2.gz FGSHHYQDOQIUSJ-BZUAXINKSA-N 0 3 383.489 0.261 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000613735071 1189676604 /nfs/dbraw/zinc/67/66/04/1189676604.db2.gz TUWBMMDXIKIPMZ-HZPDHXFCSA-N 0 3 384.521 0.765 20 0 GCADHN C[C@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000660232624 1189679941 /nfs/dbraw/zinc/67/99/41/1189679941.db2.gz XDURXEGXQVHICH-BBRMVZONSA-N 0 3 396.513 0.948 20 0 GCADHN O=C(NCC[C@]1(O)CCCOC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000651439673 1189689319 /nfs/dbraw/zinc/68/93/19/1189689319.db2.gz SGESPDDWBDJHCG-UXHICEINSA-N 0 3 377.485 0.854 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N(C)C ZINC000584850340 1189691690 /nfs/dbraw/zinc/69/16/90/1189691690.db2.gz OVTBKZMXYBNNEJ-KBMXLJTQSA-N 0 3 375.473 0.251 20 0 GCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCSC3)c2)CC1 ZINC000473035391 1189704471 /nfs/dbraw/zinc/70/44/71/1189704471.db2.gz QEBXBWSEBUXOSE-MRXNPFEDSA-N 0 3 390.509 0.944 20 0 GCADHN O=C(CN1CC[C@H]2OCCN[C@H]2C1)NCC1(N2CCOCC2)CCCCC1 ZINC000579015768 1189718628 /nfs/dbraw/zinc/71/86/28/1189718628.db2.gz AKMSRSCAJVOXPY-ZWKOTPCHSA-N 0 3 380.533 0.200 20 0 GCADHN O=C([C@@H]1CCCCC[NH2+]1)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000364236316 1189719607 /nfs/dbraw/zinc/71/96/07/1189719607.db2.gz LCNZHAKXVFXMCC-HNNXBMFYSA-N 0 3 391.497 0.928 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)nn1 ZINC000500125710 1189721253 /nfs/dbraw/zinc/72/12/53/1189721253.db2.gz VCHGJKIVFXJANQ-MRXNPFEDSA-N 0 3 390.444 0.562 20 0 GCADHN C[C@@H]1C(=O)Nc2cc(C(=O)NCC(=O)NCCN3CCCCC3)ccc2N1C ZINC000909325218 1189726102 /nfs/dbraw/zinc/72/61/02/1189726102.db2.gz PQQRURUOAGNDGB-CQSZACIVSA-N 0 3 387.484 0.795 20 0 GCADHN C[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000418155954 1189729567 /nfs/dbraw/zinc/72/95/67/1189729567.db2.gz AECAMDNYUHWEGN-NWDGAFQWSA-N 0 3 390.456 0.869 20 0 GCADHN CC1(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000418174701 1189732893 /nfs/dbraw/zinc/73/28/93/1189732893.db2.gz RQJLCXNHUVMJAP-UHFFFAOYSA-N 0 3 390.456 0.932 20 0 GCADHN CN1CCS(=O)(=O)C[C@@H]1CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617974704 1189748932 /nfs/dbraw/zinc/74/89/32/1189748932.db2.gz XFEVAYYLFQMYPC-SFHVURJKSA-N 0 3 394.541 0.529 20 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1189790887 /nfs/dbraw/zinc/79/08/87/1189790887.db2.gz AWLSVTIMVYBPQK-PMPSAXMXSA-N 0 3 392.500 0.268 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)CCC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000364416963 1189792862 /nfs/dbraw/zinc/79/28/62/1189792862.db2.gz HFMOOOWVLMEATB-CALCHBBNSA-N 0 3 381.517 0.973 20 0 GCADHN Cc1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1S(C)(=O)=O ZINC000909327544 1189795500 /nfs/dbraw/zinc/79/55/00/1189795500.db2.gz UVGPSXVEMLRGPJ-UHFFFAOYSA-N 0 3 381.498 0.730 20 0 GCADHN CCC(CC)[C@@H](C(=O)NCC(=O)NCCN1CCCCC1)N1CCOCC1 ZINC000909327386 1189796099 /nfs/dbraw/zinc/79/60/99/1189796099.db2.gz WGDKSZUBOYXVAB-IBGZPJMESA-N 0 3 382.549 0.842 20 0 GCADHN O=C(CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)NCCN1CCCCC1 ZINC000909327573 1189796188 /nfs/dbraw/zinc/79/61/88/1189796188.db2.gz VBUJEVICIZDZAL-KRWDZBQOSA-N 0 3 393.532 0.633 20 0 GCADHN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCC(=O)NCCN1CCCCC1 ZINC000909327992 1189797137 /nfs/dbraw/zinc/79/71/37/1189797137.db2.gz HVPGQPWUGGUJHO-HOTGVXAUSA-N 0 3 392.500 0.270 20 0 GCADHN COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(CC3CCOCC3)CC1)CC2 ZINC000364426457 1189798809 /nfs/dbraw/zinc/79/88/09/1189798809.db2.gz NDGGPBUPOVLBCC-INIZCTEOSA-N 0 3 392.504 0.493 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)CC1 ZINC000511702622 1189833891 /nfs/dbraw/zinc/83/38/91/1189833891.db2.gz MKMDLTHHZCYJEY-CYBMUJFWSA-N 0 3 389.456 0.212 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)CC1 ZINC000511702623 1189834126 /nfs/dbraw/zinc/83/41/26/1189834126.db2.gz MKMDLTHHZCYJEY-ZDUSSCGKSA-N 0 3 389.456 0.212 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000511701637 1189836259 /nfs/dbraw/zinc/83/62/59/1189836259.db2.gz IUUXZHGSLYVTSP-CQSZACIVSA-N 0 3 382.486 0.084 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C[C@H](CO)O1 ZINC000660469675 1189843184 /nfs/dbraw/zinc/84/31/84/1189843184.db2.gz BQBAEQOGGDUJGP-BPQIPLTHSA-N 0 3 375.469 0.328 20 0 GCADHN C[C@H](NC(=O)CN1CCC[C@@H](N2CCOCC2)CC1)C(=O)N1CCCCC1 ZINC000660471805 1189845627 /nfs/dbraw/zinc/84/56/27/1189845627.db2.gz DWNFHNNBEPOXEK-ZWKOTPCHSA-N 0 3 380.533 0.690 20 0 GCADHN CNC(=O)[C@@H](NC(=O)CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1 ZINC000660475298 1189847212 /nfs/dbraw/zinc/84/72/12/1189847212.db2.gz VXKVRATYHVYQBU-QUCCMNQESA-N 0 3 388.512 0.777 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000106157634 1189854479 /nfs/dbraw/zinc/85/44/79/1189854479.db2.gz UGOWPOIVAAEFKG-UHFFFAOYSA-N 0 3 382.530 0.694 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCc3c(nnn3CCOC)C2)CC1 ZINC000432094942 1189865988 /nfs/dbraw/zinc/86/59/88/1189865988.db2.gz HOTIWRGDLFFOSW-INIZCTEOSA-N 0 3 393.536 0.266 20 0 GCADHN CN(CCNC(=O)C(=O)NCc1ccnc(N2CCSCC2)c1)C1CC1 ZINC000636613911 1189892932 /nfs/dbraw/zinc/89/29/32/1189892932.db2.gz QHBRXEAKWWRDQM-UHFFFAOYSA-N 0 3 377.514 0.461 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)NCc2ccc(CC(N)=O)cc2)CC1 ZINC000643169130 1189898445 /nfs/dbraw/zinc/89/84/45/1189898445.db2.gz ZXKFQMXAXNSYQC-UHFFFAOYSA-N 0 3 375.517 0.930 20 0 GCADHN CCNC(=O)NC(=O)[C@@H](C)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511856686 1189911469 /nfs/dbraw/zinc/91/14/69/1189911469.db2.gz ZBMUPLTYFCLAOS-QGZVFWFLSA-N 0 3 375.517 0.970 20 0 GCADHN CCS(=O)(=O)NCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000660588294 1189911480 /nfs/dbraw/zinc/91/14/80/1189911480.db2.gz LDCDVIXQTWTLMC-UHFFFAOYSA-N 0 3 383.518 0.532 20 0 GCADHN CCNC(=O)NC(=O)[C@H](C)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511856684 1189911642 /nfs/dbraw/zinc/91/16/42/1189911642.db2.gz ZBMUPLTYFCLAOS-KRWDZBQOSA-N 0 3 375.517 0.970 20 0 GCADHN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893403757 1189917941 /nfs/dbraw/zinc/91/79/41/1189917941.db2.gz WBTUYXGGKCLHQE-IXDOHACOSA-N 0 3 380.489 0.007 20 0 GCADHN COCC1(NCC(=O)N(CCC(N)=O)c2ccccc2OC)CCOCC1 ZINC000660631068 1189919267 /nfs/dbraw/zinc/91/92/67/1189919267.db2.gz KWWBLDSKOGLVEM-UHFFFAOYSA-N 0 3 379.457 0.689 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)O1 ZINC000975210803 1189926928 /nfs/dbraw/zinc/92/69/28/1189926928.db2.gz OPXKJZZCZMDMLK-BRSBDYLESA-N 0 3 392.544 0.497 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC000975221817 1189929651 /nfs/dbraw/zinc/92/96/51/1189929651.db2.gz IPQLXLLRFNWVRM-WCXIOVBPSA-N 0 3 390.528 0.502 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NC3CC3)c(C)c2)CC1 ZINC000049272324 1189944296 /nfs/dbraw/zinc/94/42/96/1189944296.db2.gz WWNVHUSTLMUYAR-UHFFFAOYSA-N 0 3 387.484 0.470 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000636662297 1189954037 /nfs/dbraw/zinc/95/40/37/1189954037.db2.gz MUGSFUGVSNQSST-VXGBXAGGSA-N 0 3 376.383 0.488 20 0 GCADHN NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCC2CCN(Cc3ccncc3)CC2)O1 ZINC000660895075 1189964208 /nfs/dbraw/zinc/96/42/08/1189964208.db2.gz MUKAVJZXWRIQRN-IRXDYDNUSA-N 0 3 375.473 0.626 20 0 GCADHN Cc1cccn2cc(CCNC(=O)C(=O)NC3CCN([C@H]4CCOC4)CC3)nc12 ZINC000668958061 1189964632 /nfs/dbraw/zinc/96/46/32/1189964632.db2.gz RAHXDBNEURXFDD-SFHVURJKSA-N 0 3 399.495 0.671 20 0 GCADHN CN(C)C1(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@H]3C2)CCC1 ZINC000975761607 1189972340 /nfs/dbraw/zinc/97/23/40/1189972340.db2.gz SVSLLLYQQMMTPA-YVSFHVDLSA-N 0 3 390.528 0.822 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000975765999 1189973017 /nfs/dbraw/zinc/97/30/17/1189973017.db2.gz XGKHWVDDTMTMHO-RANZSIQMSA-N 0 3 390.528 0.644 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCN(C)C(=O)C3)CC2)C[C@H](C)O1 ZINC000661065840 1189986264 /nfs/dbraw/zinc/98/62/64/1189986264.db2.gz HLUWLHUULZDJEV-IYBDPMFKSA-N 0 3 394.516 0.025 20 0 GCADHN COc1ccc([C@@H]2[C@H](C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CCC(=O)N2C)cc1 ZINC000662751430 1190017132 /nfs/dbraw/zinc/01/71/32/1190017132.db2.gz BNOWSLUFJIMKRY-DNVCBOLYSA-N 0 3 399.451 0.875 20 0 GCADHN COc1cc(CCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc(OC)c1OC ZINC000662751672 1190017242 /nfs/dbraw/zinc/01/72/42/1190017242.db2.gz BKXFUEHEWBXLGI-UHFFFAOYSA-N 0 3 376.413 0.916 20 0 GCADHN COc1ccc([C@@H]2[C@@H](C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CCC(=O)N2C)cc1 ZINC000662751431 1190017495 /nfs/dbraw/zinc/01/74/95/1190017495.db2.gz BNOWSLUFJIMKRY-HNAYVOBHSA-N 0 3 399.451 0.875 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCC(=O)N2CCc3sccc3C2)n1 ZINC000662750717 1190017621 /nfs/dbraw/zinc/01/76/21/1190017621.db2.gz DVUOBFOBXHJCFU-UHFFFAOYSA-N 0 3 375.454 0.684 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 ZINC000662750860 1190018081 /nfs/dbraw/zinc/01/80/81/1190018081.db2.gz UXJNZBBDBMYISZ-ZDUSSCGKSA-N 0 3 399.407 0.081 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCN2c2ncnc3sccc32)n1 ZINC000662753610 1190018820 /nfs/dbraw/zinc/01/88/20/1190018820.db2.gz SUZYZGIKJKODDT-GFCCVEGCSA-N 0 3 385.453 0.931 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 ZINC000662753453 1190019329 /nfs/dbraw/zinc/01/93/29/1190019329.db2.gz ZFZSEHNLTQMUNJ-ZDUSSCGKSA-N 0 3 375.816 0.964 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000661232758 1190020622 /nfs/dbraw/zinc/02/06/22/1190020622.db2.gz RWDFYEQIOJFGTN-CVEARBPZSA-N 0 3 378.517 0.789 20 0 GCADHN CS(=O)(=O)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893444333 1190023671 /nfs/dbraw/zinc/02/36/71/1190023671.db2.gz PMCCQUXPIHDTCJ-ZWKOTPCHSA-N 0 3 395.525 0.972 20 0 GCADHN COc1ccc(C(=O)NCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1OC ZINC000647708097 1190025958 /nfs/dbraw/zinc/02/59/58/1190025958.db2.gz ISHHYFHLJPUTHS-CABCVRRESA-N 0 3 377.441 0.101 20 0 GCADHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000662813869 1190039304 /nfs/dbraw/zinc/03/93/04/1190039304.db2.gz MYUXYTZSCDIQNR-UKRRQHHQSA-N 0 3 384.506 0.007 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)C(=O)N3CCN(CC4CCOCC4)CC3)[C@H]2C1 ZINC000661403655 1190042861 /nfs/dbraw/zinc/04/28/61/1190042861.db2.gz YAIQTOPSSKTITP-ROUUACIJSA-N 0 3 378.517 0.110 20 0 GCADHN C[C@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000661462700 1190053710 /nfs/dbraw/zinc/05/37/10/1190053710.db2.gz INMGULPIYCKWFR-DOTOQJQBSA-N 0 3 382.468 0.914 20 0 GCADHN CC(C)N(CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(=O)NC1CCOCC1 ZINC001481352775 1190055936 /nfs/dbraw/zinc/05/59/36/1190055936.db2.gz LGCSHHDZWMPSAJ-GJNTUIEKSA-N 0 3 393.528 0.922 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 ZINC000411023092 1193723024 /nfs/dbraw/zinc/72/30/24/1193723024.db2.gz QNMFGXBREBRYSS-BRWVUGGUSA-N 0 3 380.533 0.892 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000663917174 1193726837 /nfs/dbraw/zinc/72/68/37/1193726837.db2.gz UWLFWAGZNLKAFP-IAGOWNOFSA-N 0 3 393.532 0.583 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000663917176 1193726950 /nfs/dbraw/zinc/72/69/50/1193726950.db2.gz UWLFWAGZNLKAFP-SJORKVTESA-N 0 3 393.532 0.583 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCc1cccc2c1OCO2 ZINC000512671489 1193730735 /nfs/dbraw/zinc/73/07/35/1193730735.db2.gz FLKLDSQFKWGYBZ-UHFFFAOYSA-N 0 3 378.473 0.605 20 0 GCADHN C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000663949231 1193737196 /nfs/dbraw/zinc/73/71/96/1193737196.db2.gz ATJYDYFMLPANCA-RCBQFDQVSA-N 0 3 384.502 0.314 20 0 GCADHN O=C1CC[C@@H](N2CCN(c3ccc4nnc(-c5ccccn5)n4n3)CC2)CCN1 ZINC000894110841 1193742393 /nfs/dbraw/zinc/74/23/93/1193742393.db2.gz SACYWJCCYXNLAI-OAHLLOKOSA-N 0 3 392.467 0.977 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000152232903 1193743497 /nfs/dbraw/zinc/74/34/97/1193743497.db2.gz GDIOAMZGLDPYPP-LBPRGKRZSA-N 0 3 391.394 0.953 20 0 GCADHN C[C@@H](CS(C)(=O)=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000433090248 1193748500 /nfs/dbraw/zinc/74/85/00/1193748500.db2.gz RHKAQSNAJOETTN-HOCLYGCPSA-N 0 3 386.489 0.866 20 0 GCADHN O=C(Nc1cc(N2CCNC2=O)ccc1F)C(=O)N1CCN2CCC[C@H]2C1 ZINC000411317040 1193749739 /nfs/dbraw/zinc/74/97/39/1193749739.db2.gz XOIBTMREGVEGPZ-ZDUSSCGKSA-N 0 3 375.404 0.600 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(C)c2C(=O)OC)CC1 ZINC000512750525 1193751314 /nfs/dbraw/zinc/75/13/14/1193751314.db2.gz SAXFBQOGQYCIKE-HNNXBMFYSA-N 0 3 390.484 0.862 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc3c(cc2C)OCO3)CC1 ZINC000512746961 1193751816 /nfs/dbraw/zinc/75/18/16/1193751816.db2.gz AECFWHHMARRYQV-AWEZNQCLSA-N 0 3 376.457 0.804 20 0 GCADHN CN(C)c1ncn(-c2cccc(NC(=O)C(=O)N(C)CCN3CCCC3)c2)n1 ZINC000411402711 1193756505 /nfs/dbraw/zinc/75/65/05/1193756505.db2.gz UOXGOFZUSUWOJY-UHFFFAOYSA-N 0 3 385.472 0.826 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)N1CCc2sccc2C1 ZINC000419247961 1193763937 /nfs/dbraw/zinc/76/39/37/1193763937.db2.gz XNQALBGZUDPBPN-IPYPFGDCSA-N 0 3 394.541 0.840 20 0 GCADHN CC(C)Cn1c(N)c(C(=O)CN[C@@H](CCO)C2CCCCC2)c(=O)n(C)c1=O ZINC000411495701 1193767883 /nfs/dbraw/zinc/76/78/83/1193767883.db2.gz WKZCXKCVMILSOT-HNNXBMFYSA-N 0 3 394.516 0.889 20 0 GCADHN O=C(NCc1ccnc(OCc2ccccc2)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419254298 1193770563 /nfs/dbraw/zinc/77/05/63/1193770563.db2.gz ALATWKKJBBJWPY-KRWDZBQOSA-N 0 3 384.436 0.381 20 0 GCADHN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC(CN2CCOCC2)CC1 ZINC000051957741 1193772674 /nfs/dbraw/zinc/77/26/74/1193772674.db2.gz KVNQVVRQKGMOPZ-RDJZCZTQSA-N 0 3 387.546 0.065 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000419263255 1193774144 /nfs/dbraw/zinc/77/41/44/1193774144.db2.gz YDVVQWBSRFKLRK-ZWNOBZJWSA-N 0 3 393.831 0.672 20 0 GCADHN CCc1ccc([C@H](CNC(=O)C(=O)NCCCN2CCOCC2)N(C)C)cc1 ZINC000549882694 1193774773 /nfs/dbraw/zinc/77/47/73/1193774773.db2.gz UWZFLLJRNOUSGQ-IBGZPJMESA-N 0 3 390.528 0.806 20 0 GCADHN CCOc1cc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)ccc1OC(F)F ZINC000419270068 1193777888 /nfs/dbraw/zinc/77/78/88/1193777888.db2.gz CPMBQPXPQRNQPC-LBPRGKRZSA-N 0 3 387.383 0.408 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)cc1 ZINC000419267832 1193778995 /nfs/dbraw/zinc/77/89/95/1193778995.db2.gz JNYHJYLYYFDBQW-INIZCTEOSA-N 0 3 395.525 0.867 20 0 GCADHN CCCNC(=O)[C@@H]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512821782 1193779566 /nfs/dbraw/zinc/77/95/66/1193779566.db2.gz SEKGKELIGWRJKG-GOSISDBHSA-N 0 3 397.564 0.324 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3COC[C@@H]3OC)c2)CC1 ZINC000411716319 1193785056 /nfs/dbraw/zinc/78/50/56/1193785056.db2.gz DVHMMFGLMSRIQV-SJORKVTESA-N 0 3 376.457 0.297 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000473483130 1193786582 /nfs/dbraw/zinc/78/65/82/1193786582.db2.gz SFQFSILJEIIXJR-AWEZNQCLSA-N 0 3 376.505 0.855 20 0 GCADHN CCN(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001745776241 1193787951 /nfs/dbraw/zinc/78/79/51/1193787951.db2.gz NGMDFWISNFRZNX-LUKYLMHMSA-N 0 3 381.517 0.875 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000509823587 1193790345 /nfs/dbraw/zinc/79/03/45/1193790345.db2.gz ZONJIDDVGXQYOU-DZGCQCFKSA-N 0 3 397.497 0.644 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000261725101 1193791920 /nfs/dbraw/zinc/79/19/20/1193791920.db2.gz ITEUBNLKBWADHF-GOSISDBHSA-N 0 3 396.495 0.810 20 0 GCADHN COc1ccc(COCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419297652 1193793283 /nfs/dbraw/zinc/79/32/83/1193793283.db2.gz FNAXZVZFMJOYMH-BBRMVZONSA-N 0 3 379.457 0.557 20 0 GCADHN Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)nc1 ZINC000419302241 1193795822 /nfs/dbraw/zinc/79/58/22/1193795822.db2.gz POAFLFSLXOUAOK-HOCLYGCPSA-N 0 3 389.500 0.704 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCNCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419303776 1193797410 /nfs/dbraw/zinc/79/74/10/1193797410.db2.gz SOUOFIUBOILRJS-AWEZNQCLSA-N 0 3 377.464 0.187 20 0 GCADHN CC(C)(CN1CCOCC1)NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000411998086 1193798680 /nfs/dbraw/zinc/79/86/80/1193798680.db2.gz KZMYKIOAGYDMNN-UHFFFAOYSA-N 0 3 393.879 0.955 20 0 GCADHN CN(C)C(=O)CN1CCC(NC(=O)N2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000664063316 1193800006 /nfs/dbraw/zinc/80/00/06/1193800006.db2.gz PQVVAOIOMZTKEP-SFHVURJKSA-N 0 3 395.548 0.435 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000576182283 1193801249 /nfs/dbraw/zinc/80/12/49/1193801249.db2.gz DFBNUARUXSPBFI-HNNXBMFYSA-N 0 3 392.500 0.874 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000419313975 1193805426 /nfs/dbraw/zinc/80/54/26/1193805426.db2.gz TZWPVMSEESOBEZ-GDBMZVCRSA-N 0 3 389.500 0.917 20 0 GCADHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000419322270 1193811926 /nfs/dbraw/zinc/81/19/26/1193811926.db2.gz GIXXCCHYPLALFF-BZSNNMDCSA-N 0 3 375.469 0.684 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433353686 1193812356 /nfs/dbraw/zinc/81/23/56/1193812356.db2.gz MCLYYZMDTGWUEX-QWHCGFSZSA-N 0 3 385.486 0.483 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000433359349 1193815755 /nfs/dbraw/zinc/81/57/55/1193815755.db2.gz HPPVAINBXXRJLC-IAGOWNOFSA-N 0 3 386.514 0.783 20 0 GCADHN COc1cc(CNCCC(=O)N2CCOCC2)cc(Cl)c1OCC(N)=O ZINC000512974420 1193817899 /nfs/dbraw/zinc/81/78/99/1193817899.db2.gz VBZVAKSCDHTFMD-UHFFFAOYSA-N 0 3 385.848 0.551 20 0 GCADHN CC(C)[C@H](NC1CC(S(C)(=O)=O)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000894145569 1193830833 /nfs/dbraw/zinc/83/08/33/1193830833.db2.gz ODCOWTPAWWGMDY-ZUEPYMLJSA-N 0 3 383.518 0.373 20 0 GCADHN COc1ccc2c(c1)[C@@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)CCO2 ZINC000419337851 1193833394 /nfs/dbraw/zinc/83/33/94/1193833394.db2.gz YLULPEADQFEQJV-BYCMXARLSA-N 0 3 377.441 0.864 20 0 GCADHN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)C(=O)NC[C@H]1CNCCO1 ZINC000419342259 1193835110 /nfs/dbraw/zinc/83/51/10/1193835110.db2.gz BWHMQRHVQYWPPQ-MRXNPFEDSA-N 0 3 388.399 0.734 20 0 GCADHN CC(C)(C)OC(=O)[C@H](CC(N)=O)Nc1cncc(OCCN2CCCC2)n1 ZINC001167920932 1193837686 /nfs/dbraw/zinc/83/76/86/1193837686.db2.gz YYCFOQVXCFHSRC-ZDUSSCGKSA-N 0 3 379.461 0.949 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCCNC(=O)c2cnccn2)cc1 ZINC000419350788 1193845595 /nfs/dbraw/zinc/84/55/95/1193845595.db2.gz GJNKSXRWIKUECH-INIZCTEOSA-N 0 3 398.467 0.262 20 0 GCADHN COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000419350909 1193846126 /nfs/dbraw/zinc/84/61/26/1193846126.db2.gz GMLULRAOXZQBCO-DLBZAZTESA-N 0 3 390.484 0.159 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CNC[C@@H]3CCCO3)cn2)C[C@@H](C)O1 ZINC000429992553 1193869507 /nfs/dbraw/zinc/86/95/07/1193869507.db2.gz QWUQKJIBBODWKZ-FMKPAKJESA-N 0 3 379.461 0.226 20 0 GCADHN CN(CCCN(C)C(=O)CNS(=O)(=O)c1cnn(C)c1)Cc1ccncc1 ZINC000576404188 1193872975 /nfs/dbraw/zinc/87/29/75/1193872975.db2.gz CSKRPIDZSGAYHM-UHFFFAOYSA-N 0 3 394.501 0.074 20 0 GCADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000576421510 1193876763 /nfs/dbraw/zinc/87/67/63/1193876763.db2.gz VAXBRHHUVZKOIS-VXGBXAGGSA-N 0 3 380.411 0.948 20 0 GCADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000419376763 1193877748 /nfs/dbraw/zinc/87/77/48/1193877748.db2.gz BNDVKDDVOPACBB-HUUCEWRRSA-N 0 3 383.514 0.907 20 0 GCADHN O=C(NCCN1CCCOCC1)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000576438513 1193879965 /nfs/dbraw/zinc/87/99/65/1193879965.db2.gz PNAMTQZDCWRFPJ-SFHVURJKSA-N 0 3 391.516 0.856 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@@H]21 ZINC000408462456 1193882697 /nfs/dbraw/zinc/88/26/97/1193882697.db2.gz DDZOGSCRJOUAQL-WBVHZDCISA-N 0 3 379.482 0.484 20 0 GCADHN CC1(C)[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C[C@H]1OCc1ccccc1 ZINC000419386257 1193894995 /nfs/dbraw/zinc/89/49/95/1193894995.db2.gz PPDZROMRSLXOOZ-GVDBMIGSSA-N 0 3 375.469 0.591 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N[C@H](CN)C2CCCC2)cc1 ZINC000419390384 1193900720 /nfs/dbraw/zinc/90/07/20/1193900720.db2.gz PXCNIKKUTBZXMQ-RHSMWYFYSA-N 0 3 395.525 0.907 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C[C@H]1OC ZINC000419390511 1193900724 /nfs/dbraw/zinc/90/07/24/1193900724.db2.gz VERCIFVRSATSKC-ARFHVFGLSA-N 0 3 392.504 0.610 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C[C@@H]1OC ZINC000419390514 1193900778 /nfs/dbraw/zinc/90/07/78/1193900778.db2.gz VERCIFVRSATSKC-OAGGEKHMSA-N 0 3 392.504 0.610 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCCN(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000052692742 1193905431 /nfs/dbraw/zinc/90/54/31/1193905431.db2.gz CISZAANQJLQJJF-CQSZACIVSA-N 0 3 379.482 0.934 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCCN(CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000052694463 1193905678 /nfs/dbraw/zinc/90/56/78/1193905678.db2.gz WFHULHVRECGERR-INIZCTEOSA-N 0 3 396.513 0.664 20 0 GCADHN Cc1nn(CC(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)c(=O)n1C ZINC000614442884 1193914573 /nfs/dbraw/zinc/91/45/73/1193914573.db2.gz PINRCGZCFUTUTA-INIZCTEOSA-N 0 3 381.521 0.610 20 0 GCADHN CN1CCO[C@@H]([C@@H](NC(=O)C(=O)N2CCCNCC2)c2ccc(Cl)cc2)C1 ZINC000419394490 1193920711 /nfs/dbraw/zinc/92/07/11/1193920711.db2.gz SHYQXSZVVPETBT-SJORKVTESA-N 0 3 394.903 0.650 20 0 GCADHN O=C(NCCN1CCN(c2ncccn2)CC1)NC[C@H]1CCCCN1C1CC1 ZINC000433571589 1193921140 /nfs/dbraw/zinc/92/11/40/1193921140.db2.gz PRIJTWLGBHAEDO-GOSISDBHSA-N 0 3 387.532 0.915 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000261623911 1193921775 /nfs/dbraw/zinc/92/17/75/1193921775.db2.gz ACPXOJBHXBWAKO-OAHLLOKOSA-N 0 3 381.440 0.589 20 0 GCADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H](N)C3CCOCC3)C2=O)c1 ZINC000261815829 1193927476 /nfs/dbraw/zinc/92/74/76/1193927476.db2.gz PBMQJKUAMGNPEV-DLBZAZTESA-N 0 3 377.441 0.679 20 0 GCADHN N[C@@H](C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261847168 1193928959 /nfs/dbraw/zinc/92/89/59/1193928959.db2.gz RDXWOWDHIMXAIE-LJQANCHMSA-N 0 3 392.475 0.735 20 0 GCADHN Cc1ccc(OCC(=O)N2CCN(C(=O)[C@H](N)C3CCOCC3)CC2)cc1 ZINC000261944023 1193932590 /nfs/dbraw/zinc/93/25/90/1193932590.db2.gz JQGXPWYKZCFOTK-LJQANCHMSA-N 0 3 375.469 0.799 20 0 GCADHN Cc1cc(N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)nc(C(C)C)n1 ZINC000261969400 1193933930 /nfs/dbraw/zinc/93/39/30/1193933930.db2.gz BGJIDFQQXURPQB-KRWDZBQOSA-N 0 3 376.505 0.657 20 0 GCADHN N[C@H](C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000262033095 1193937011 /nfs/dbraw/zinc/93/70/11/1193937011.db2.gz PMTSTTSKKYQQEZ-SFHVURJKSA-N 0 3 378.448 0.662 20 0 GCADHN Cn1cc(C(=O)C(=O)Nc2ccc(CCN3CCC(C(N)=O)CC3)cc2)cn1 ZINC000513323314 1193938397 /nfs/dbraw/zinc/93/83/97/1193938397.db2.gz HDVLGVJHNHVNDE-UHFFFAOYSA-N 0 3 383.452 0.981 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000262081493 1193938813 /nfs/dbraw/zinc/93/88/13/1193938813.db2.gz KRHGJESRRBCUPU-INIZCTEOSA-N 0 3 378.498 0.914 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000262171859 1193941107 /nfs/dbraw/zinc/94/11/07/1193941107.db2.gz QLCQIKYODIQLFA-HOCLYGCPSA-N 0 3 379.436 0.648 20 0 GCADHN COc1cccc(C(=O)N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)c1 ZINC000262178035 1193941362 /nfs/dbraw/zinc/94/13/62/1193941362.db2.gz QWBPMMVAZZZACB-KRWDZBQOSA-N 0 3 376.457 0.079 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000262228171 1193942687 /nfs/dbraw/zinc/94/26/87/1193942687.db2.gz VCNSJBUXNSGCHM-FQEVSTJZSA-N 0 3 388.512 0.780 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCn1ncc(=O)c2ccccc21 ZINC000513439256 1193951773 /nfs/dbraw/zinc/95/17/73/1193951773.db2.gz MTTCURKYKSDPIH-SFHVURJKSA-N 0 3 399.495 0.846 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000513439838 1193951799 /nfs/dbraw/zinc/95/17/99/1193951799.db2.gz PEWLWFZLWAPTNE-OAGGEKHMSA-N 0 3 392.500 0.221 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CSCC(=O)N1CCCCC1 ZINC000513437776 1193951854 /nfs/dbraw/zinc/95/18/54/1193951854.db2.gz FDWCAVSWZDZFMU-MRXNPFEDSA-N 0 3 398.573 0.791 20 0 GCADHN CCO[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C12CCC2 ZINC000513468970 1193954244 /nfs/dbraw/zinc/95/42/44/1193954244.db2.gz LXKRXEVQJXPJEU-SJORKVTESA-N 0 3 380.533 0.546 20 0 GCADHN O=C(NCCN1CCCOCC1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000458843117 1193960770 /nfs/dbraw/zinc/96/07/70/1193960770.db2.gz MMWCEEUTOZHMLB-RTBURBONSA-N 0 3 376.501 0.643 20 0 GCADHN O=C(NCCN1CCCOCC1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000458843115 1193960983 /nfs/dbraw/zinc/96/09/83/1193960983.db2.gz MMWCEEUTOZHMLB-OALUTQOASA-N 0 3 376.501 0.643 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)N2CCOCC2)cc1 ZINC000263118381 1193962407 /nfs/dbraw/zinc/96/24/07/1193962407.db2.gz GHFYQGYCJLKFQF-MJGOQNOKSA-N 0 3 376.501 0.584 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccnc1)NC[C@H]1CCCCN1C1CC1 ZINC000433960495 1193963798 /nfs/dbraw/zinc/96/37/98/1193963798.db2.gz FBQUJIBDNYHGOZ-OAHLLOKOSA-N 0 3 381.502 0.676 20 0 GCADHN C[C@@H]1CN(c2ccnc(N3C[C@H](C)N(CCO)C[C@H]3C)n2)[C@@H](C)CN1CCO ZINC000894234099 1193968574 /nfs/dbraw/zinc/96/85/74/1193968574.db2.gz RWOBENAUYLGVJW-VSZNYVQBSA-N 0 3 392.548 0.259 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCCNC(=O)c2cccnc2)cc1 ZINC000419396692 1193970856 /nfs/dbraw/zinc/97/08/56/1193970856.db2.gz SSBPGVTXKWIKSU-GOSISDBHSA-N 0 3 397.479 0.867 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccccc1S(N)(=O)=O ZINC000513680599 1193970905 /nfs/dbraw/zinc/97/09/05/1193970905.db2.gz QPFBGKKBLUOCMK-OAHLLOKOSA-N 0 3 384.502 0.586 20 0 GCADHN C[C@H](CNC(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1)CN1CCN(C)CC1 ZINC000664221376 1193976552 /nfs/dbraw/zinc/97/65/52/1193976552.db2.gz PPJHBJWWDXUPKE-KURKYZTESA-N 0 3 382.549 0.879 20 0 GCADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000280144412 1193977537 /nfs/dbraw/zinc/97/75/37/1193977537.db2.gz BAGOZACVFDHLAG-HXUWFJFHSA-N 0 3 379.501 0.913 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cn(C)nc2C(C)C)CC1 ZINC000280223596 1193980940 /nfs/dbraw/zinc/98/09/40/1193980940.db2.gz BJHLHFXLKQZEJH-HNNXBMFYSA-N 0 3 378.521 0.872 20 0 GCADHN NC(=O)[C@@H]1CC[C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)O1 ZINC000280329372 1193987932 /nfs/dbraw/zinc/98/79/32/1193987932.db2.gz ZTUSLSVPAUYVGA-IRXDYDNUSA-N 0 3 379.432 0.818 20 0 GCADHN Cn1cc(CN[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c(=O)n(C)c1=O ZINC000280411886 1193993379 /nfs/dbraw/zinc/99/33/79/1193993379.db2.gz YOXQPJKXXADVIH-HXUWFJFHSA-N 0 3 386.452 0.975 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000280436217 1193997102 /nfs/dbraw/zinc/99/71/02/1193997102.db2.gz UXNDOYYDUQWACS-UHFFFAOYSA-N 0 3 396.419 0.757 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(C(=O)OC)c(OC)c1 ZINC000280480323 1193999620 /nfs/dbraw/zinc/99/96/20/1193999620.db2.gz ZKYXEVOGOHEGBW-UHFFFAOYSA-N 0 3 381.429 0.505 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1=O ZINC000280503128 1193999708 /nfs/dbraw/zinc/99/97/08/1193999708.db2.gz ACXAOKVGJXXMSB-SJORKVTESA-N 0 3 386.496 0.908 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(N2CCOCC2)ccc1C ZINC000280675633 1194012560 /nfs/dbraw/zinc/01/25/60/1194012560.db2.gz FLTCLFVNESYHGR-UHFFFAOYSA-N 0 3 392.500 0.807 20 0 GCADHN C[C@H](O)C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1ccccc1 ZINC000419407327 1194021700 /nfs/dbraw/zinc/02/17/00/1194021700.db2.gz YEQPXPSPPPKJMT-XJNFMUPTSA-N 0 3 377.485 0.887 20 0 GCADHN COc1cc(OC)cc(OCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419406967 1194021805 /nfs/dbraw/zinc/02/18/05/1194021805.db2.gz VYCNAGKWNLAZQN-BLLLJJGKSA-N 0 3 395.456 0.428 20 0 GCADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000419438800 1194034352 /nfs/dbraw/zinc/03/43/52/1194034352.db2.gz IJIRKWRDIJTHTC-APIJFGDWSA-N 0 3 382.505 0.415 20 0 GCADHN COC(=O)c1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000419476008 1194039995 /nfs/dbraw/zinc/03/99/95/1194039995.db2.gz NTZQNWFVTXPYMM-SMDDNHRTSA-N 0 3 393.440 0.327 20 0 GCADHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419497499 1194045766 /nfs/dbraw/zinc/04/57/66/1194045766.db2.gz NDJFLPRXZHMKPZ-XYJFISCASA-N 0 3 375.469 0.906 20 0 GCADHN Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000419501612 1194046378 /nfs/dbraw/zinc/04/63/78/1194046378.db2.gz REELRGPKUJNLLD-KZNAEPCWSA-N 0 3 375.469 0.906 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419515950 1194051996 /nfs/dbraw/zinc/05/19/96/1194051996.db2.gz GCWAZDOEFWDBLV-BBRMVZONSA-N 0 3 379.457 0.557 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000419550603 1194058066 /nfs/dbraw/zinc/05/80/66/1194058066.db2.gz WPPSGZHAEKODRX-GOSISDBHSA-N 0 3 380.448 0.504 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1=O ZINC000501120909 1194063612 /nfs/dbraw/zinc/06/36/12/1194063612.db2.gz MXKSRHITTXXHFK-JKSUJKDBSA-N 0 3 394.447 0.892 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000419588525 1194066289 /nfs/dbraw/zinc/06/62/89/1194066289.db2.gz GAAWNMUENSTIIC-CQSZACIVSA-N 0 3 385.386 0.958 20 0 GCADHN CN1C(=O)C[C@@H](NC(=O)C(=O)N2CCCNCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000419595284 1194068018 /nfs/dbraw/zinc/06/80/18/1194068018.db2.gz ORDPFGXNKUHRJO-ZBFHGGJFSA-N 0 3 380.395 0.175 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000419600588 1194068892 /nfs/dbraw/zinc/06/88/92/1194068892.db2.gz VZRCGBYRFNHNNI-JSGCOSHPSA-N 0 3 377.441 0.346 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)CCC2 ZINC000419629664 1194072428 /nfs/dbraw/zinc/07/24/28/1194072428.db2.gz RQQBYWVZVZXSHR-CFVMTHIKSA-N 0 3 393.488 0.252 20 0 GCADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419609682 1194073381 /nfs/dbraw/zinc/07/33/81/1194073381.db2.gz JGKWXDJMVRKEDS-WWGRRREGSA-N 0 3 379.457 0.808 20 0 GCADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419612657 1194073775 /nfs/dbraw/zinc/07/37/75/1194073775.db2.gz MJQSAAFJGWITGT-HZSPNIEDSA-N 0 3 379.457 0.808 20 0 GCADHN COCCCOc1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419634826 1194074537 /nfs/dbraw/zinc/07/45/37/1194074537.db2.gz INHAFSHWXRXTSN-WMLDXEAASA-N 0 3 393.484 0.947 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccccc1S(N)(=O)=O ZINC000513709225 1194077510 /nfs/dbraw/zinc/07/75/10/1194077510.db2.gz DFSZWNSHTMXCQE-CQSZACIVSA-N 0 3 383.518 0.159 20 0 GCADHN C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C(=O)N1c1ccccc1 ZINC000419665405 1194078373 /nfs/dbraw/zinc/07/83/73/1194078373.db2.gz KQRRNOKXCVYGHW-DARAHFNDSA-N 0 3 388.468 0.526 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000419672804 1194079475 /nfs/dbraw/zinc/07/94/75/1194079475.db2.gz GPVXGPLGFHAHTL-COPLHBTASA-N 0 3 390.440 0.424 20 0 GCADHN CCC[C@H]1CNCCN1C(=O)C(=O)NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000419693221 1194086342 /nfs/dbraw/zinc/08/63/42/1194086342.db2.gz ZXSZIYSEDWCCHZ-AWEZNQCLSA-N 0 3 386.456 0.697 20 0 GCADHN CCC[C@H]1CNCCN1C(=O)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000419693221 1194086346 /nfs/dbraw/zinc/08/63/46/1194086346.db2.gz ZXSZIYSEDWCCHZ-AWEZNQCLSA-N 0 3 386.456 0.697 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCOc3ccc(F)cc3)C2)nn1 ZINC000419696939 1194086702 /nfs/dbraw/zinc/08/67/02/1194086702.db2.gz VXWJLYUDXNIWKL-HNNXBMFYSA-N 0 3 390.419 0.235 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1=O ZINC000419727272 1194088599 /nfs/dbraw/zinc/08/85/99/1194088599.db2.gz IQAVSAFNOCYIQQ-CVEARBPZSA-N 0 3 398.467 0.331 20 0 GCADHN CCOC(=O)c1csc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)n1 ZINC000419731465 1194089914 /nfs/dbraw/zinc/08/99/14/1194089914.db2.gz LJWLTZJGYUKSJO-WDEREUQCSA-N 0 3 398.485 0.208 20 0 GCADHN NC(=O)COc1cccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000664236688 1194091589 /nfs/dbraw/zinc/09/15/89/1194091589.db2.gz LRSBDVYBLCFKSB-INIZCTEOSA-N 0 3 376.457 0.603 20 0 GCADHN COC(=O)c1ccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419719941 1194092185 /nfs/dbraw/zinc/09/21/85/1194092185.db2.gz GZQJTSYSTHYTAU-SWLSCSKDSA-N 0 3 377.441 0.361 20 0 GCADHN O=C(CNC(=O)C(=O)N1CCCNCC1)N1CCC(Cc2ccccc2)CC1 ZINC000419741596 1194094861 /nfs/dbraw/zinc/09/48/61/1194094861.db2.gz IJRCPJHFVGUSBF-UHFFFAOYSA-N 0 3 386.496 0.406 20 0 GCADHN COc1cc(OC)c(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c(OC)c1 ZINC000419738251 1194100508 /nfs/dbraw/zinc/10/05/08/1194100508.db2.gz DEYJTDWRUSXSNT-SMDDNHRTSA-N 0 3 395.456 0.558 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000419764203 1194101690 /nfs/dbraw/zinc/10/16/90/1194101690.db2.gz VURHRHAISDDDRJ-BBRMVZONSA-N 0 3 380.464 0.603 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000419773981 1194102924 /nfs/dbraw/zinc/10/29/24/1194102924.db2.gz JDHNJJZNSXSTIM-ZWOKBUDYSA-N 0 3 393.459 0.120 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1S(C)(=O)=O ZINC000419772752 1194103006 /nfs/dbraw/zinc/10/30/06/1194103006.db2.gz ITAVRGAHWWOCOF-JSGCOSHPSA-N 0 3 397.497 0.244 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1 ZINC000419797342 1194105908 /nfs/dbraw/zinc/10/59/08/1194105908.db2.gz SQUZLTIKRLUHNR-UHFFFAOYSA-N 0 3 396.373 1.435 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)Oc1ccccc1 ZINC000419804324 1194107332 /nfs/dbraw/zinc/10/73/32/1194107332.db2.gz CVCCNTDIWYJKER-GDBMZVCRSA-N 0 3 386.456 0.484 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)Oc1ccccc1 ZINC000419804326 1194107559 /nfs/dbraw/zinc/10/75/59/1194107559.db2.gz CVCCNTDIWYJKER-GOEBONIOSA-N 0 3 386.456 0.484 20 0 GCADHN O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C(=O)N1CCCNCC1 ZINC000419789746 1194108617 /nfs/dbraw/zinc/10/86/17/1194108617.db2.gz UFQZETBXWGDTSU-FXAWDEMLSA-N 0 3 377.460 0.838 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCc3ccc(Cl)cc3)C2)nn1 ZINC000419790363 1194108640 /nfs/dbraw/zinc/10/86/40/1194108640.db2.gz TUAWOUQTVHYRDO-MRXNPFEDSA-N 0 3 390.875 0.913 20 0 GCADHN Cc1c(NC(=O)C(=O)NCC2(N(C)C)CC2)cccc1S(=O)(=O)N(C)C ZINC000419816995 1194109039 /nfs/dbraw/zinc/10/90/39/1194109039.db2.gz LTWGIKFLBMQQOY-UHFFFAOYSA-N 0 3 382.486 0.394 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000419808913 1194112085 /nfs/dbraw/zinc/11/20/85/1194112085.db2.gz JXYIZOVLNZPIDC-UHFFFAOYSA-N 0 3 396.513 0.912 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)CCN1 ZINC000419829265 1194115437 /nfs/dbraw/zinc/11/54/37/1194115437.db2.gz SRZXCPDWBFXDRN-IKGGRYGDSA-N 0 3 388.512 0.732 20 0 GCADHN CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419833845 1194116568 /nfs/dbraw/zinc/11/65/68/1194116568.db2.gz WNKVBPNNKQVHKG-DOMZBBRYSA-N 0 3 376.457 0.282 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419873753 1194128958 /nfs/dbraw/zinc/12/89/58/1194128958.db2.gz DLOBRMYYUJOXAC-ZBFHGGJFSA-N 0 3 388.468 0.181 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419873746 1194129069 /nfs/dbraw/zinc/12/90/69/1194129069.db2.gz DLOBRMYYUJOXAC-GDBMZVCRSA-N 0 3 388.468 0.181 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)c(C)o1 ZINC000419914194 1194138101 /nfs/dbraw/zinc/13/81/01/1194138101.db2.gz BMYZKOQDFGBPAJ-SFHVURJKSA-N 0 3 398.463 0.997 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1)c1ccccc1 ZINC000419922207 1194139326 /nfs/dbraw/zinc/13/93/26/1194139326.db2.gz ZCTCSIKRLPWOSF-ZDUSSCGKSA-N 0 3 390.381 0.847 20 0 GCADHN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)NC[C@H](N)c1ccccc1)CC2 ZINC000419924274 1194139565 /nfs/dbraw/zinc/13/95/65/1194139565.db2.gz HDZXDBHOKCCADB-YESZJQIVSA-N 0 3 375.469 0.581 20 0 GCADHN CC(C)c1nc([C@H]2COCCN2C(=O)C(=O)NC[C@@H](N)c2ccccc2)no1 ZINC000419924279 1194139714 /nfs/dbraw/zinc/13/97/14/1194139714.db2.gz HEOILKILZITUGU-HUUCEWRRSA-N 0 3 387.440 0.909 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)oc1C ZINC000419924779 1194139941 /nfs/dbraw/zinc/13/99/41/1194139941.db2.gz HXGDPKPRSCISMJ-KRWDZBQOSA-N 0 3 385.468 0.752 20 0 GCADHN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419928153 1194140217 /nfs/dbraw/zinc/14/02/17/1194140217.db2.gz KMRULXSGNPMGSR-CVEARBPZSA-N 0 3 396.513 0.123 20 0 GCADHN CC(C)CN1C[C@@H]2CN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CCN2C1=O ZINC000419929573 1194140319 /nfs/dbraw/zinc/14/03/19/1194140319.db2.gz MQSQJYAKZHJMJD-DLBZAZTESA-N 0 3 387.484 0.407 20 0 GCADHN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419928157 1194140337 /nfs/dbraw/zinc/14/03/37/1194140337.db2.gz KMRULXSGNPMGSR-HZPDHXFCSA-N 0 3 396.513 0.123 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419927714 1194140556 /nfs/dbraw/zinc/14/05/56/1194140556.db2.gz KCZKWGZCLWQYTB-USXIJHARSA-N 0 3 390.484 0.192 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1 ZINC000419934972 1194145200 /nfs/dbraw/zinc/14/52/00/1194145200.db2.gz RLRNJNXSVUCEPI-SFHVURJKSA-N 0 3 398.438 0.926 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000420023190 1194158109 /nfs/dbraw/zinc/15/81/09/1194158109.db2.gz AJPMKSOKRKJZCU-DANNLKNASA-N 0 3 379.432 0.689 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000420023980 1194158962 /nfs/dbraw/zinc/15/89/62/1194158962.db2.gz AZWWZHMKDUOKMT-GXTWGEPZSA-N 0 3 395.891 0.613 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000420026685 1194159440 /nfs/dbraw/zinc/15/94/40/1194159440.db2.gz COPCKRIEJMMVPR-TZMCWYRMSA-N 0 3 381.502 0.017 20 0 GCADHN Cc1nc(N2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)sc1C ZINC000420027160 1194159484 /nfs/dbraw/zinc/15/94/84/1194159484.db2.gz CWFJHAGEPLGOAW-OCCSQVGLSA-N 0 3 395.529 0.638 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000420027634 1194159588 /nfs/dbraw/zinc/15/95/88/1194159588.db2.gz DAOXRRODLODCRC-MTSZKFMLSA-N 0 3 396.532 0.316 20 0 GCADHN CCCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420030395 1194160362 /nfs/dbraw/zinc/16/03/62/1194160362.db2.gz GOCTXNUDJKMNAO-ZBFHGGJFSA-N 0 3 396.532 0.761 20 0 GCADHN C[C@@H](N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1)C(F)(F)F ZINC000420031916 1194160824 /nfs/dbraw/zinc/16/08/24/1194160824.db2.gz HMMIFKMDNTXSDV-QJPTWQEYSA-N 0 3 380.411 0.311 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420031924 1194160850 /nfs/dbraw/zinc/16/08/50/1194160850.db2.gz HMNCJZQNFLKGBZ-BBRMVZONSA-N 0 3 378.448 0.704 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420031935 1194160974 /nfs/dbraw/zinc/16/09/74/1194160974.db2.gz HMNCJZQNFLKGBZ-XJKSGUPXSA-N 0 3 378.448 0.704 20 0 GCADHN C[C@@H](N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1)C(F)(F)F ZINC000420031922 1194161030 /nfs/dbraw/zinc/16/10/30/1194161030.db2.gz HMMIFKMDNTXSDV-TUAOUCFPSA-N 0 3 380.411 0.311 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000420032946 1194161107 /nfs/dbraw/zinc/16/11/07/1194161107.db2.gz IGQDMRMSERVONV-HOCLYGCPSA-N 0 3 397.479 0.986 20 0 GCADHN [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420015661 1194162572 /nfs/dbraw/zinc/16/25/72/1194162572.db2.gz LSWZMSABGFRXBN-WBVHZDCISA-N 0 3 388.468 0.310 20 0 GCADHN [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420015658 1194162682 /nfs/dbraw/zinc/16/26/82/1194162682.db2.gz LSWZMSABGFRXBN-DOTOQJQBSA-N 0 3 388.468 0.310 20 0 GCADHN CCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420055819 1194163363 /nfs/dbraw/zinc/16/33/63/1194163363.db2.gz ICXIVAHNARNCCK-ZFWWWQNUSA-N 0 3 382.505 0.371 20 0 GCADHN COc1ccc(OCCN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000420057147 1194163816 /nfs/dbraw/zinc/16/38/16/1194163816.db2.gz JASWVLLCXAHNPD-CZUORRHYSA-N 0 3 379.457 0.762 20 0 GCADHN COc1ccc(OCCN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000420057148 1194163892 /nfs/dbraw/zinc/16/38/92/1194163892.db2.gz JASWVLLCXAHNPD-XJKSGUPXSA-N 0 3 379.457 0.762 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000420060772 1194164377 /nfs/dbraw/zinc/16/43/77/1194164377.db2.gz QLFARGBEALDVNY-RBUKOAKNSA-N 0 3 382.464 0.499 20 0 GCADHN CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000420059175 1194164485 /nfs/dbraw/zinc/16/44/85/1194164485.db2.gz OXFFBKPNMYATRG-SJORKVTESA-N 0 3 389.477 0.601 20 0 GCADHN CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420039383 1194165358 /nfs/dbraw/zinc/16/53/58/1194165358.db2.gz NWKRVGCSQCNNSF-KFWWJZLASA-N 0 3 382.505 0.371 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000420037573 1194165366 /nfs/dbraw/zinc/16/53/66/1194165366.db2.gz MEFSFXHVQSMOHJ-TZMCWYRMSA-N 0 3 394.497 0.262 20 0 GCADHN CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420039384 1194165392 /nfs/dbraw/zinc/16/53/92/1194165392.db2.gz NWKRVGCSQCNNSF-RBSFLKMASA-N 0 3 382.505 0.371 20 0 GCADHN COc1cccc2c1CCN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000420039420 1194165400 /nfs/dbraw/zinc/16/54/00/1194165400.db2.gz NXKINLQTTUKLRA-XJKSGUPXSA-N 0 3 375.469 0.852 20 0 GCADHN Cc1csc([C@@H]2COCCN2C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)n1 ZINC000420040949 1194166862 /nfs/dbraw/zinc/16/68/62/1194166862.db2.gz PMTILQTYECLERH-UPJWGTAASA-N 0 3 382.486 0.581 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000420043374 1194167558 /nfs/dbraw/zinc/16/75/58/1194167558.db2.gz RVEAKGYBBLWPFV-GRYCIOLGSA-N 0 3 380.411 0.311 20 0 GCADHN CCOC(=O)C1(COC)CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420043646 1194167630 /nfs/dbraw/zinc/16/76/30/1194167630.db2.gz SCUJPKUWHQCWIU-KGLIPLIRSA-N 0 3 399.488 0.034 20 0 GCADHN COC(=O)c1cccc2c1CCN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C2 ZINC000420043076 1194167644 /nfs/dbraw/zinc/16/76/44/1194167644.db2.gz RGJGRGDGJJPISG-LRDDRELGSA-N 0 3 389.452 0.587 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000420044797 1194168269 /nfs/dbraw/zinc/16/82/69/1194168269.db2.gz UEUKTPDXDQTJIC-DZGCQCFKSA-N 0 3 377.489 0.430 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000420045528 1194168328 /nfs/dbraw/zinc/16/83/28/1194168328.db2.gz UVZIDIGLUFRASX-UKRRQHHQSA-N 0 3 380.514 0.622 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000420044823 1194168335 /nfs/dbraw/zinc/16/83/35/1194168335.db2.gz UFKUXOVRKUVYBA-USXIJHARSA-N 0 3 391.468 0.522 20 0 GCADHN CCC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1nnc2ccccn21 ZINC000420047945 1194168790 /nfs/dbraw/zinc/16/87/90/1194168790.db2.gz WPWDFGYJSXDQKT-MELADBBJSA-N 0 3 388.472 0.916 20 0 GCADHN CCn1nccc1C1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420046660 1194168931 /nfs/dbraw/zinc/16/89/31/1194168931.db2.gz VRRMKYYRBGUPEY-UKRRQHHQSA-N 0 3 377.489 0.838 20 0 GCADHN C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000420049571 1194169397 /nfs/dbraw/zinc/16/93/97/1194169397.db2.gz GKNAKRGTBCQDQM-CXAGYDPISA-N 0 3 391.493 0.847 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000420049433 1194169424 /nfs/dbraw/zinc/16/94/24/1194169424.db2.gz YDQZVICCOBYTRZ-MAZHCROVSA-N 0 3 379.432 0.955 20 0 GCADHN C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000420049575 1194169544 /nfs/dbraw/zinc/16/95/44/1194169544.db2.gz GKNAKRGTBCQDQM-GUYCJALGSA-N 0 3 391.493 0.847 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000420049432 1194169633 /nfs/dbraw/zinc/16/96/33/1194169633.db2.gz YDQZVICCOBYTRZ-APHBMKBZSA-N 0 3 379.432 0.955 20 0 GCADHN CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)no1 ZINC000420054141 1194170784 /nfs/dbraw/zinc/17/07/84/1194170784.db2.gz GXTVHWYFZLXVNT-AVGNSLFASA-N 0 3 395.460 0.322 20 0 GCADHN COc1ccc2c(c1)OCCN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C2 ZINC000420068308 1194171574 /nfs/dbraw/zinc/17/15/74/1194171574.db2.gz SZRFOOUOKHXZPJ-SWLSCSKDSA-N 0 3 377.441 0.645 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000420068678 1194171624 /nfs/dbraw/zinc/17/16/24/1194171624.db2.gz AUBNCRVFLSLQSJ-SJORKVTESA-N 0 3 381.436 0.192 20 0 GCADHN CN(CC(=O)N1CCOCC1)C(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000420073459 1194172485 /nfs/dbraw/zinc/17/24/85/1194172485.db2.gz GJDYLJDJYZQTKN-SFHVURJKSA-N 0 3 398.463 0.273 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000420073179 1194172640 /nfs/dbraw/zinc/17/26/40/1194172640.db2.gz XYZHZWNKIQNRSH-CHWSQXEVSA-N 0 3 394.497 0.262 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000420073268 1194172742 /nfs/dbraw/zinc/17/27/42/1194172742.db2.gz YEKKAFHWLMSMBZ-BFHYXJOUSA-N 0 3 377.441 0.514 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000420074836 1194173160 /nfs/dbraw/zinc/17/31/60/1194173160.db2.gz ZYFPCQBLRPZDGY-SJLPKXTDSA-N 0 3 388.512 0.603 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000420074837 1194173267 /nfs/dbraw/zinc/17/32/67/1194173267.db2.gz ZYFPCQBLRPZDGY-WMZOPIPTSA-N 0 3 388.512 0.603 20 0 GCADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420081960 1194174327 /nfs/dbraw/zinc/17/43/27/1194174327.db2.gz UJPAFUADZCZNSL-GOSISDBHSA-N 0 3 398.463 0.273 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000420065671 1194176317 /nfs/dbraw/zinc/17/63/17/1194176317.db2.gz PSCIMLRRANAVFW-KOLCDFICSA-N 0 3 391.394 0.627 20 0 GCADHN NCC(F)(F)CNC(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000420182077 1194197217 /nfs/dbraw/zinc/19/72/17/1194197217.db2.gz YSRPIIPUZCJMNC-UHFFFAOYSA-N 0 3 376.448 0.048 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000420197377 1194201859 /nfs/dbraw/zinc/20/18/59/1194201859.db2.gz JLEWIYJDIZOCDW-INIZCTEOSA-N 0 3 381.423 0.851 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000420199290 1194202673 /nfs/dbraw/zinc/20/26/73/1194202673.db2.gz NERLBIMWDHVECX-HNNXBMFYSA-N 0 3 380.876 0.089 20 0 GCADHN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420199730 1194202924 /nfs/dbraw/zinc/20/29/24/1194202924.db2.gz MEHOLUREUOBXLN-ZDUSSCGKSA-N 0 3 387.839 0.559 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000420206683 1194204799 /nfs/dbraw/zinc/20/47/99/1194204799.db2.gz SXALRTPQSFVWLG-KRWDZBQOSA-N 0 3 375.469 0.425 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000420187780 1194206324 /nfs/dbraw/zinc/20/63/24/1194206324.db2.gz BYKRLJOBTLEDPS-SWLSCSKDSA-N 0 3 385.823 0.484 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000420189348 1194206590 /nfs/dbraw/zinc/20/65/90/1194206590.db2.gz DOVVYVSZPAGSMT-INIZCTEOSA-N 0 3 393.871 0.866 20 0 GCADHN COc1ccc(CN(C(=O)C(=O)NC[C@H]2CNCCO2)[C@@H](C)C2CC2)cc1 ZINC000420195935 1194208709 /nfs/dbraw/zinc/20/87/09/1194208709.db2.gz LAGOVNDYPRRFOC-KBXCAEBGSA-N 0 3 375.469 0.927 20 0 GCADHN COc1ccc(CN(C(=O)C(=O)NC[C@H]2CNCCO2)[C@H](C)C2CC2)cc1 ZINC000420195938 1194208740 /nfs/dbraw/zinc/20/87/40/1194208740.db2.gz LAGOVNDYPRRFOC-RDTXWAMCSA-N 0 3 375.469 0.927 20 0 GCADHN COc1ccc(CN(C(=O)C(=O)NC[C@@H]2CNCCO2)[C@@H](C)C2CC2)cc1 ZINC000420195937 1194209101 /nfs/dbraw/zinc/20/91/01/1194209101.db2.gz LAGOVNDYPRRFOC-KSSFIOAISA-N 0 3 375.469 0.927 20 0 GCADHN O=C(CCC1CCCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420208414 1194211815 /nfs/dbraw/zinc/21/18/15/1194211815.db2.gz YDRRRIIIXKPLQW-QGZVFWFLSA-N 0 3 394.516 0.122 20 0 GCADHN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420213151 1194213489 /nfs/dbraw/zinc/21/34/89/1194213489.db2.gz YLXHKBRFDQIZNZ-ZFWWWQNUSA-N 0 3 396.438 0.275 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000513720177 1194224492 /nfs/dbraw/zinc/22/44/92/1194224492.db2.gz HXWVGKOUMJKNCD-QGZVFWFLSA-N 0 3 388.578 0.677 20 0 GCADHN NCc1cn([C@@H]2CCCN(CC(=O)NCCOc3cccc(F)c3)C2)nn1 ZINC000420386546 1194226111 /nfs/dbraw/zinc/22/61/11/1194226111.db2.gz UYRVIDQYVNZIPF-MRXNPFEDSA-N 0 3 376.436 0.708 20 0 GCADHN CS(=O)(=O)N(CCN1CCC[C@@H](n2cc(CN)nn2)C1)Cc1ccccc1 ZINC000420375611 1194227015 /nfs/dbraw/zinc/22/70/15/1194227015.db2.gz JBDRUKOKXSMCSH-GOSISDBHSA-N 0 3 392.529 0.836 20 0 GCADHN CS(=O)(=O)N(CCN1CCC[C@H](n2cc(CN)nn2)C1)Cc1ccccc1 ZINC000420375612 1194227165 /nfs/dbraw/zinc/22/71/65/1194227165.db2.gz JBDRUKOKXSMCSH-SFHVURJKSA-N 0 3 392.529 0.836 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)ccc1C ZINC000420473155 1194230492 /nfs/dbraw/zinc/23/04/92/1194230492.db2.gz DARFEPNYTLVSRG-CQSZACIVSA-N 0 3 393.469 0.858 20 0 GCADHN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](n3cc(CN)nn3)C1)OCO2 ZINC000420485037 1194231559 /nfs/dbraw/zinc/23/15/59/1194231559.db2.gz ZADBOKHBBSADRH-CYBMUJFWSA-N 0 3 379.442 0.800 20 0 GCADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420484266 1194231757 /nfs/dbraw/zinc/23/17/57/1194231757.db2.gz XUCLULKPQGVYJQ-HNNXBMFYSA-N 0 3 393.469 0.939 20 0 GCADHN CCOC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000420479325 1194232814 /nfs/dbraw/zinc/23/28/14/1194232814.db2.gz MOLVWXGJKAGMBQ-OAHLLOKOSA-N 0 3 393.469 0.939 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@H]1CCN(C2CC2)C1 ZINC000501849171 1194233489 /nfs/dbraw/zinc/23/34/89/1194233489.db2.gz XARDAXDDVWZXLR-ZDUSSCGKSA-N 0 3 399.538 0.664 20 0 GCADHN COC(=O)Cc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1F ZINC000420672682 1194252973 /nfs/dbraw/zinc/25/29/73/1194252973.db2.gz FQYFTJLGTACDPG-UHFFFAOYSA-N 0 3 388.461 0.930 20 0 GCADHN COCC(COC)N1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000420802507 1194264886 /nfs/dbraw/zinc/26/48/86/1194264886.db2.gz SCCDBXGQUVOWLD-UHFFFAOYSA-N 0 3 398.548 0.173 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)Cc1ccccc1 ZINC000420838781 1194266779 /nfs/dbraw/zinc/26/67/79/1194266779.db2.gz LZHUXTFQXAVDCB-DLBZAZTESA-N 0 3 377.485 0.274 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)c1nnnn1-c1ccccc1 ZINC000502111405 1194269567 /nfs/dbraw/zinc/26/95/67/1194269567.db2.gz MDEFUQOFTOLNAM-WBVHZDCISA-N 0 3 397.483 0.926 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(Cc2c(C)nn(CC(=O)OC(C)C)c2C)C1 ZINC000414494152 1194288877 /nfs/dbraw/zinc/28/88/77/1194288877.db2.gz UWYDBLVTIAAASR-INIZCTEOSA-N 0 3 380.489 0.988 20 0 GCADHN CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000502259309 1194289019 /nfs/dbraw/zinc/28/90/19/1194289019.db2.gz PDWILGOUJYWEBQ-SJORKVTESA-N 0 3 381.473 0.788 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421153219 1194299749 /nfs/dbraw/zinc/29/97/49/1194299749.db2.gz LNIJLDFQHGVHCS-HNNXBMFYSA-N 0 3 396.513 0.106 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)nn1C(C)C ZINC000421170959 1194301015 /nfs/dbraw/zinc/30/10/15/1194301015.db2.gz HHZZLSMXGTURBE-GOSISDBHSA-N 0 3 399.495 1.246 20 0 GCADHN CC(C)[C@@H](CO)CNC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000509539345 1194301039 /nfs/dbraw/zinc/30/10/39/1194301039.db2.gz ISUUDAGCZVBMGD-CQSZACIVSA-N 0 3 378.473 0.874 20 0 GCADHN O=C(Nc1ccccc1O[C@@H]1CC(=O)N1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000421178098 1194302050 /nfs/dbraw/zinc/30/20/50/1194302050.db2.gz BEKWVIJGGYYNLG-KBXCAEBGSA-N 0 3 386.452 0.937 20 0 GCADHN CCOC(=O)Cn1cc(CNC[C@@H]2CN(C)CCN2C)c(-c2cccnc2)n1 ZINC000894255859 1194306638 /nfs/dbraw/zinc/30/66/38/1194306638.db2.gz KSHHVGXJSVCGDW-GOSISDBHSA-N 0 3 386.500 0.844 20 0 GCADHN CC(C)C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1)N1CCOCC1 ZINC000421226501 1194312040 /nfs/dbraw/zinc/31/20/40/1194312040.db2.gz ORWVDTKSWDPLOS-MSOLQXFVSA-N 0 3 382.549 0.791 20 0 GCADHN Cc1c(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cccc1S(=O)(=O)N(C)C ZINC000421307210 1194321514 /nfs/dbraw/zinc/32/15/14/1194321514.db2.gz OPQGYAXRFICQIC-AWEZNQCLSA-N 0 3 396.513 0.736 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)ccc1C ZINC000421305076 1194321870 /nfs/dbraw/zinc/32/18/70/1194321870.db2.gz UMBHDKCYOLTVKY-AWEZNQCLSA-N 0 3 382.486 0.394 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1C ZINC000421308422 1194322503 /nfs/dbraw/zinc/32/25/03/1194322503.db2.gz YIOJCWLWGQVVCC-ZDUSSCGKSA-N 0 3 382.486 0.394 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000421375643 1194331678 /nfs/dbraw/zinc/33/16/78/1194331678.db2.gz DMXSXPXGDGBUMV-LLVKDONJSA-N 0 3 388.394 0.576 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccc4ccccc4c3)CCN2C1=O ZINC000577126019 1194332371 /nfs/dbraw/zinc/33/23/71/1194332371.db2.gz ZMISSSJBDLDKSE-AEFFLSMTSA-N 0 3 396.447 0.105 20 0 GCADHN CC[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000502588933 1194335863 /nfs/dbraw/zinc/33/58/63/1194335863.db2.gz OMILCOHIKJPHJT-DLBZAZTESA-N 0 3 378.517 0.838 20 0 GCADHN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@@H]3CCCN3C)cn2)CCO1 ZINC000421405594 1194336145 /nfs/dbraw/zinc/33/61/45/1194336145.db2.gz IFTXOBIGPSZFFY-WBVHZDCISA-N 0 3 389.500 0.476 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)CC2)C1 ZINC000421523469 1194344279 /nfs/dbraw/zinc/34/42/79/1194344279.db2.gz TVBOMIVUQMQXDZ-SJORKVTESA-N 0 3 378.517 0.838 20 0 GCADHN CC1(C)CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C[C@H](CO)O1 ZINC000421526816 1194344851 /nfs/dbraw/zinc/34/48/51/1194344851.db2.gz HZQSCRWIFVHJKI-GOSISDBHSA-N 0 3 389.496 0.549 20 0 GCADHN COC[C@@]1(CO)CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000421531182 1194345501 /nfs/dbraw/zinc/34/55/01/1194345501.db2.gz NZZTWOBRMWRQKY-NRFANRHFSA-N 0 3 389.496 0.408 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000421562418 1194346896 /nfs/dbraw/zinc/34/68/96/1194346896.db2.gz VILADMOXWRLBSB-OAHLLOKOSA-N 0 3 396.513 0.152 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2c(OC)ncnc2N(C)C)CC1 ZINC000513752519 1194346997 /nfs/dbraw/zinc/34/69/97/1194346997.db2.gz URFUIDDVNOYAJQ-CQSZACIVSA-N 0 3 379.509 0.946 20 0 GCADHN O=C(Cc1ccn(CC(F)(F)F)n1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000894260515 1194349709 /nfs/dbraw/zinc/34/97/09/1194349709.db2.gz BBWNTUBSZULGEN-UHFFFAOYSA-N 0 3 387.406 0.755 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000421702261 1194357820 /nfs/dbraw/zinc/35/78/20/1194357820.db2.gz JSXFQXKORCSUPR-INIZCTEOSA-N 0 3 381.498 0.874 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000502815080 1194358298 /nfs/dbraw/zinc/35/82/98/1194358298.db2.gz NULXYMLXPBIFTL-HNNXBMFYSA-N 0 3 398.529 0.847 20 0 GCADHN CC(=O)N[C@@](C)(C(=O)N(C)C[C@H]1CCCN1C)c1ccc(S(C)(=O)=O)cc1 ZINC000421711574 1194358409 /nfs/dbraw/zinc/35/84/09/1194358409.db2.gz OWPOEUXSABZIBN-VQIMIIECSA-N 0 3 395.525 0.994 20 0 GCADHN CC(=O)N[C@](C)(C(=O)N(C)C[C@H]1CCCN1C)c1ccc(S(C)(=O)=O)cc1 ZINC000421711566 1194358571 /nfs/dbraw/zinc/35/85/71/1194358571.db2.gz OWPOEUXSABZIBN-APWZRJJASA-N 0 3 395.525 0.994 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000502832679 1194361187 /nfs/dbraw/zinc/36/11/87/1194361187.db2.gz ISLHLNUURRRBGA-GJZGRUSLSA-N 0 3 382.486 0.380 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(C)CC(=O)Nc1cccc(OC)c1 ZINC000502858615 1194363492 /nfs/dbraw/zinc/36/34/92/1194363492.db2.gz SPUKNIHRPXLIIV-CVEARBPZSA-N 0 3 376.457 0.596 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000502898055 1194365840 /nfs/dbraw/zinc/36/58/40/1194365840.db2.gz DPHCXVXXKUGDMV-RDJZCZTQSA-N 0 3 397.545 0.781 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000502898054 1194365958 /nfs/dbraw/zinc/36/59/58/1194365958.db2.gz DPHCXVXXKUGDMV-NVXWUHKLSA-N 0 3 397.545 0.781 20 0 GCADHN CC[C@H](C)N[C@@H](CNC(=O)NCCNS(=O)(=O)NC(C)C)c1ccco1 ZINC000502930414 1194368392 /nfs/dbraw/zinc/36/83/92/1194368392.db2.gz PRMIJAMYUUGDER-KBPBESRZSA-N 0 3 389.522 0.840 20 0 GCADHN C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000502940543 1194370471 /nfs/dbraw/zinc/37/04/71/1194370471.db2.gz QXBOKYFLBNUIQW-KRWDZBQOSA-N 0 3 398.460 0.997 20 0 GCADHN COC(=O)[C@H]1CCc2sc(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)nc2C1 ZINC000421967671 1194376274 /nfs/dbraw/zinc/37/62/74/1194376274.db2.gz OZSAOEVCHOTVQU-NWDGAFQWSA-N 0 3 394.497 0.770 20 0 GCADHN CCOc1cccc(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)n1 ZINC000422102419 1194385023 /nfs/dbraw/zinc/38/50/23/1194385023.db2.gz MXUMHKOWKINOQG-MRXNPFEDSA-N 0 3 389.500 0.682 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000422107331 1194387293 /nfs/dbraw/zinc/38/72/93/1194387293.db2.gz SKFGCCJFFXTSAJ-KRWDZBQOSA-N 0 3 390.459 0.663 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000422090021 1194388994 /nfs/dbraw/zinc/38/89/94/1194388994.db2.gz VFBGRIIBUSQJRX-HZPDHXFCSA-N 0 3 398.548 0.422 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000422090014 1194389020 /nfs/dbraw/zinc/38/90/20/1194389020.db2.gz VFBGRIIBUSQJRX-CVEARBPZSA-N 0 3 398.548 0.422 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C[C@H](CC)O1 ZINC000422132856 1194397175 /nfs/dbraw/zinc/39/71/75/1194397175.db2.gz ICEJEIXQVHYIDK-CALCHBBNSA-N 0 3 396.532 0.415 20 0 GCADHN CCc1nc(CN2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)cs1 ZINC000422145826 1194399353 /nfs/dbraw/zinc/39/93/53/1194399353.db2.gz VGSIPQLEEFTXHP-INIZCTEOSA-N 0 3 393.557 0.902 20 0 GCADHN CC(=O)N[C@H]1CCN(C(=O)C(=O)N(CCCc2ccccc2)CCN(C)C)C1 ZINC000422149993 1194400401 /nfs/dbraw/zinc/40/04/01/1194400401.db2.gz ZCCOGZSBYADMSQ-IBGZPJMESA-N 0 3 388.512 0.746 20 0 GCADHN COC(=O)CN1CCC(NCc2ccccc2S(=O)(=O)N(C)CCO)CC1 ZINC000271804956 1194413818 /nfs/dbraw/zinc/41/38/18/1194413818.db2.gz LZQYOBZGOCTGJP-UHFFFAOYSA-N 0 3 399.513 0.026 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000271818595 1194414909 /nfs/dbraw/zinc/41/49/09/1194414909.db2.gz VIHGHMUMQLNZLN-OLZOCXBDSA-N 0 3 378.477 0.726 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)c1 ZINC000272026744 1194431157 /nfs/dbraw/zinc/43/11/57/1194431157.db2.gz OCMYGXZDWIFQIO-MRXNPFEDSA-N 0 3 377.441 0.725 20 0 GCADHN CS[C@@H]1CN(CC(=O)N(CCC(N)=O)Cc2ccccc2)C[C@H]1N(C)C ZINC000272052892 1194432818 /nfs/dbraw/zinc/43/28/18/1194432818.db2.gz QRFQHRWASAOPTJ-IAGOWNOFSA-N 0 3 378.542 0.868 20 0 GCADHN CS[C@H]1CN(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H]1N(C)C ZINC000272078958 1194435178 /nfs/dbraw/zinc/43/51/78/1194435178.db2.gz VZESIRUAHGYYHO-GJZGRUSLSA-N 0 3 376.482 0.828 20 0 GCADHN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000272274775 1194445687 /nfs/dbraw/zinc/44/56/87/1194445687.db2.gz BZWNFNPCMOIKTB-YOEHRIQHSA-N 0 3 387.484 0.678 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272267716 1194445777 /nfs/dbraw/zinc/44/57/77/1194445777.db2.gz BHYPITJQWITIHF-JJRVBVJISA-N 0 3 381.498 0.915 20 0 GCADHN COC[C@H](NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C1CC1 ZINC000272364569 1194453951 /nfs/dbraw/zinc/45/39/51/1194453951.db2.gz SUMUVELFQGQEOT-JXFKEZNVSA-N 0 3 388.468 0.976 20 0 GCADHN COc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc(OC)c1OCC(N)=O ZINC000272387256 1194456066 /nfs/dbraw/zinc/45/60/66/1194456066.db2.gz CLFHGSYZBZQEMS-GXTWGEPZSA-N 0 3 377.441 0.734 20 0 GCADHN C[C@H](CNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1)CN1CCN(C)CC1 ZINC000272423225 1194458457 /nfs/dbraw/zinc/45/84/57/1194458457.db2.gz KJFMQRLCTOVKKF-COXVUDFISA-N 0 3 392.525 0.690 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)[C@H]2C1 ZINC000272423656 1194458601 /nfs/dbraw/zinc/45/86/01/1194458601.db2.gz IBHZWBZILCDKIB-IRXDYDNUSA-N 0 3 380.514 0.842 20 0 GCADHN COc1ccc([C@@H](NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000272456872 1194462538 /nfs/dbraw/zinc/46/25/38/1194462538.db2.gz UKGVLQNDTKSNAE-YOEHRIQHSA-N 0 3 397.497 0.995 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@H]2C1 ZINC000272468357 1194463690 /nfs/dbraw/zinc/46/36/90/1194463690.db2.gz LCKAJANPHQYRBY-YJBOKZPZSA-N 0 3 393.509 0.874 20 0 GCADHN COCCN1CCC(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1 ZINC000272492064 1194466378 /nfs/dbraw/zinc/46/63/78/1194466378.db2.gz RTSSNJJMEONTSP-CVEARBPZSA-N 0 3 379.482 0.918 20 0 GCADHN C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)[C@@H](C)CN1 ZINC000272498222 1194466930 /nfs/dbraw/zinc/46/69/30/1194466930.db2.gz DGVASDFBPSBDKR-IJEWVQPXSA-N 0 3 381.498 0.966 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000041640384 1194467423 /nfs/dbraw/zinc/46/74/23/1194467423.db2.gz PTVCTGRJAFXKRQ-AWEZNQCLSA-N 0 3 376.457 0.554 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)[C@H](C)CN1 ZINC000272511242 1194468148 /nfs/dbraw/zinc/46/81/48/1194468148.db2.gz GIDMVIXCCZBALD-CPUCHLNUSA-N 0 3 385.468 0.745 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCCOCCO)c(C)c2)CC1 ZINC000272615617 1194478601 /nfs/dbraw/zinc/47/86/01/1194478601.db2.gz SGEPQZTWHXAULK-UHFFFAOYSA-N 0 3 392.500 0.591 20 0 GCADHN NC(=O)c1cccc(NC(=O)C(=O)NCCCN2CCc3ccccc3C2)n1 ZINC000272628119 1194479941 /nfs/dbraw/zinc/47/99/41/1194479941.db2.gz YHHJRRJPXFNPMF-UHFFFAOYSA-N 0 3 381.436 0.684 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)cc2C(=O)OC)CC1 ZINC000272687752 1194487465 /nfs/dbraw/zinc/48/74/65/1194487465.db2.gz OUDKKSANINRVHD-UHFFFAOYSA-N 0 3 396.875 0.819 20 0 GCADHN O=C(NCCCOCCO)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000272690048 1194488087 /nfs/dbraw/zinc/48/80/87/1194488087.db2.gz VMDPELZVUCIIMN-UHFFFAOYSA-N 0 3 378.517 0.893 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(F)ccc2C(=O)OC)CC1 ZINC000272691477 1194488136 /nfs/dbraw/zinc/48/81/36/1194488136.db2.gz PMSNAIBEFHCYHS-UHFFFAOYSA-N 0 3 380.420 0.305 20 0 GCADHN Cc1ccc(NC(=O)CN[C@H](CO)C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000272727589 1194492384 /nfs/dbraw/zinc/49/23/84/1194492384.db2.gz ASCLFXLACAWWTL-MRXNPFEDSA-N 0 3 399.513 0.561 20 0 GCADHN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N(C)CCN(C)C)cc1C ZINC000272741146 1194494375 /nfs/dbraw/zinc/49/43/75/1194494375.db2.gz CEYLFBIVPUJUAD-RDJZCZTQSA-N 0 3 383.514 0.447 20 0 GCADHN COC(=O)C1(CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)CCOCC1 ZINC000272764904 1194498841 /nfs/dbraw/zinc/49/88/41/1194498841.db2.gz GMJPSVUVEMRZRT-UHFFFAOYSA-N 0 3 377.441 0.773 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC000272801177 1194502738 /nfs/dbraw/zinc/50/27/38/1194502738.db2.gz RHBRYAFOGRESCE-SFHVURJKSA-N 0 3 389.500 0.090 20 0 GCADHN COc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc(OC)c1OCC(N)=O ZINC000272823096 1194506068 /nfs/dbraw/zinc/50/60/68/1194506068.db2.gz XKISBMGQCNOQBD-LBPRGKRZSA-N 0 3 377.441 0.948 20 0 GCADHN COc1ncncc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000272860543 1194512200 /nfs/dbraw/zinc/51/22/00/1194512200.db2.gz IZIWFQOKEXHNSP-HZPDHXFCSA-N 0 3 399.451 0.423 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](COC)OC)c(C)c2)CC1 ZINC000272903793 1194516803 /nfs/dbraw/zinc/51/68/03/1194516803.db2.gz KGQPDZIIBXAIFG-KRWDZBQOSA-N 0 3 392.500 0.853 20 0 GCADHN CN(C(=O)NCCN1CCNC(=O)C1)C1CCN(CCc2ccccn2)CC1 ZINC000272912451 1194518193 /nfs/dbraw/zinc/51/81/93/1194518193.db2.gz JPCJTMXWCWLFML-UHFFFAOYSA-N 0 3 388.516 0.162 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)CC1 ZINC000273235816 1194548444 /nfs/dbraw/zinc/54/84/44/1194548444.db2.gz GRPQSFODUUUVLA-DLBZAZTESA-N 0 3 388.468 0.628 20 0 GCADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H](CC(N)=O)C1CCCCC1 ZINC000273287006 1194552318 /nfs/dbraw/zinc/55/23/18/1194552318.db2.gz LZSOGUHHXORVLU-INIZCTEOSA-N 0 3 396.513 0.995 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000273315780 1194554233 /nfs/dbraw/zinc/55/42/33/1194554233.db2.gz OJOVOEVIDRSFMT-UHFFFAOYSA-N 0 3 391.472 0.187 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)OC)cc2)CC1 ZINC000273358971 1194558155 /nfs/dbraw/zinc/55/81/55/1194558155.db2.gz SRBFISYQIOADQB-HNNXBMFYSA-N 0 3 390.484 0.830 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCC1(CO)CC2(CCC2)C1 ZINC000434185588 1194559128 /nfs/dbraw/zinc/55/91/28/1194559128.db2.gz ZJELQVNZGMRYQW-UHFFFAOYSA-N 0 3 382.549 0.619 20 0 GCADHN COC(=O)[C@H](C)CS(=O)(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000273455922 1194564893 /nfs/dbraw/zinc/56/48/93/1194564893.db2.gz APBZYMJLLLAQRT-PBHICJAKSA-N 0 3 384.498 0.872 20 0 GCADHN CC(C)(CC(N)=O)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000273572701 1194573573 /nfs/dbraw/zinc/57/35/73/1194573573.db2.gz YIPNDFPDQBWADL-UHFFFAOYSA-N 0 3 382.486 0.653 20 0 GCADHN CCN1C(=O)CCc2cc(NC(=O)C(=O)N(CCOC)CCN(C)C)ccc21 ZINC000273610594 1194576354 /nfs/dbraw/zinc/57/63/54/1194576354.db2.gz YEGRAUDUTDVQJD-UHFFFAOYSA-N 0 3 390.484 0.961 20 0 GCADHN CNC(=O)c1ccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000503190436 1194590793 /nfs/dbraw/zinc/59/07/93/1194590793.db2.gz AZGOKROUXPOVQY-UHFFFAOYSA-N 0 3 387.484 0.496 20 0 GCADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000422256808 1194594882 /nfs/dbraw/zinc/59/48/82/1194594882.db2.gz GHIINVGTVRJPHR-IRXDYDNUSA-N 0 3 398.548 0.029 20 0 GCADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000422267364 1194595760 /nfs/dbraw/zinc/59/57/60/1194595760.db2.gz XUTRJCGGOJPOMD-ZFWWWQNUSA-N 0 3 396.513 0.325 20 0 GCADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000422265191 1194596016 /nfs/dbraw/zinc/59/60/16/1194596016.db2.gz VENMGCXSQCDYID-KFWWJZLASA-N 0 3 385.530 0.588 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000422280295 1194599783 /nfs/dbraw/zinc/59/97/83/1194599783.db2.gz GVZOBLVGEXZKFZ-MSOLQXFVSA-N 0 3 386.496 0.845 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)CN1CCOCC1 ZINC000422281799 1194600398 /nfs/dbraw/zinc/60/03/98/1194600398.db2.gz KANBCGGPIWPECT-INIZCTEOSA-N 0 3 396.557 0.723 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000422285166 1194602970 /nfs/dbraw/zinc/60/29/70/1194602970.db2.gz KGNREVXSERGUCZ-QGZVFWFLSA-N 0 3 392.475 0.542 20 0 GCADHN COC1([C@@H](C)NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC1 ZINC000422293246 1194605594 /nfs/dbraw/zinc/60/55/94/1194605594.db2.gz KVPQHIJJEBYZNJ-HUUCEWRRSA-N 0 3 382.505 0.119 20 0 GCADHN COCC1CCC(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000422293188 1194605851 /nfs/dbraw/zinc/60/58/51/1194605851.db2.gz KNLXRMKXAXNXLV-OFLPRAFFSA-N 0 3 396.532 0.367 20 0 GCADHN CCO[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000422295065 1194607185 /nfs/dbraw/zinc/60/71/85/1194607185.db2.gz NJKOPLFSGHZSGI-BZUAXINKSA-N 0 3 382.505 0.119 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000422298481 1194607853 /nfs/dbraw/zinc/60/78/53/1194607853.db2.gz KRULZMMCPKEADB-AWEZNQCLSA-N 0 3 397.497 0.138 20 0 GCADHN CC[C@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CC1(C)C ZINC000422299321 1194607914 /nfs/dbraw/zinc/60/79/14/1194607914.db2.gz SFYWZHGLNLQGQH-HRCADAONSA-N 0 3 380.533 0.986 20 0 GCADHN CCn1cnc2c(c1=O)CCN(CCCN1CCc3c(ncn(CC)c3=O)C1)C2 ZINC000503262573 1194609230 /nfs/dbraw/zinc/60/92/30/1194609230.db2.gz DFNJKXRAEAVNLF-UHFFFAOYSA-N 0 3 398.511 0.646 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000422327805 1194615414 /nfs/dbraw/zinc/61/54/14/1194615414.db2.gz PZHRUXFZUDVVLS-HIFRSBDPSA-N 0 3 376.432 0.600 20 0 GCADHN CC(C)(C)C[C@H]1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000422329877 1194617900 /nfs/dbraw/zinc/61/79/00/1194617900.db2.gz UXSTUZDHBXKAGC-GOSISDBHSA-N 0 3 396.576 0.777 20 0 GCADHN C[C@@H](CN(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000422332256 1194618215 /nfs/dbraw/zinc/61/82/15/1194618215.db2.gz DSPBFBIMULAQNJ-HNNXBMFYSA-N 0 3 398.548 0.565 20 0 GCADHN CC(C)N1CC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1=O ZINC000422331297 1194618324 /nfs/dbraw/zinc/61/83/24/1194618324.db2.gz XADIJCVNESGCEI-HNNXBMFYSA-N 0 3 380.514 0.764 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C1 ZINC000422391020 1194633364 /nfs/dbraw/zinc/63/33/64/1194633364.db2.gz SVXHEKBXXJAPHK-CVEARBPZSA-N 0 3 376.505 0.446 20 0 GCADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1=O ZINC000422396287 1194635989 /nfs/dbraw/zinc/63/59/89/1194635989.db2.gz KTJCPNXIFQIAJZ-GJZGRUSLSA-N 0 3 388.468 0.469 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)nc(C)n1 ZINC000422408049 1194639583 /nfs/dbraw/zinc/63/95/83/1194639583.db2.gz ZZYVYTCZNFRUNZ-QGZVFWFLSA-N 0 3 388.516 0.731 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000503343872 1194644769 /nfs/dbraw/zinc/64/47/69/1194644769.db2.gz NDGYAXDSOUBOJN-UHFFFAOYSA-N 0 3 397.501 0.126 20 0 GCADHN O=C(NCc1ccc2cncn2c1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000422468642 1194646352 /nfs/dbraw/zinc/64/63/52/1194646352.db2.gz AQRRKFAQIKNCOS-KRWDZBQOSA-N 0 3 385.468 0.521 20 0 GCADHN COCC1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000422522769 1194660437 /nfs/dbraw/zinc/66/04/37/1194660437.db2.gz XJHDMDYXQPOXBU-UHFFFAOYSA-N 0 3 394.516 0.074 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000422524848 1194661325 /nfs/dbraw/zinc/66/13/25/1194661325.db2.gz HAFXSRCXHKQZPP-KRWDZBQOSA-N 0 3 390.459 0.990 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422528945 1194662333 /nfs/dbraw/zinc/66/23/33/1194662333.db2.gz OGTWPHAANBWODQ-MRXNPFEDSA-N 0 3 376.432 0.601 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1ccccc1S(C)(=O)=O)N1CCC[C@@H](C)C1 ZINC000422529492 1194662902 /nfs/dbraw/zinc/66/29/02/1194662902.db2.gz LLJMUHIHROEFBM-HUUCEWRRSA-N 0 3 395.525 0.943 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@](C)(OC)C2CC2)CC1 ZINC000422535580 1194664315 /nfs/dbraw/zinc/66/43/15/1194664315.db2.gz WGGQKECZAWURAV-QRWLVFNGSA-N 0 3 396.532 0.319 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCN(c3c(F)cccc3F)CC2)n1 ZINC000645274097 1194666955 /nfs/dbraw/zinc/66/69/55/1194666955.db2.gz UTCJJQLXYAZZLB-UHFFFAOYSA-N 0 3 393.442 0.545 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](CC(C)C)OC)CC1 ZINC000422571898 1194670566 /nfs/dbraw/zinc/67/05/66/1194670566.db2.gz IRTBYNDPJVYQBM-INIZCTEOSA-N 0 3 384.521 0.176 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[C@@H]1CC1(C)C ZINC000422583055 1194671804 /nfs/dbraw/zinc/67/18/04/1194671804.db2.gz WARNBMYEAGYXJH-JKSUJKDBSA-N 0 3 380.533 0.940 20 0 GCADHN CCCN1C[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1=O ZINC000422606303 1194674053 /nfs/dbraw/zinc/67/40/53/1194674053.db2.gz SDAYNJCFQRFHRX-INIZCTEOSA-N 0 3 392.500 0.853 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503479668 1194677670 /nfs/dbraw/zinc/67/76/70/1194677670.db2.gz OQCZFFTUZDGROW-BZUAXINKSA-N 0 3 382.486 0.777 20 0 GCADHN CON1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000422631525 1194678746 /nfs/dbraw/zinc/67/87/46/1194678746.db2.gz KCHCYFXBJXWRNW-UHFFFAOYSA-N 0 3 380.464 0.858 20 0 GCADHN CCOC(=O)[C@H]1NCC[C@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000422708654 1194690384 /nfs/dbraw/zinc/69/03/84/1194690384.db2.gz CEFSQPUYZIUNEE-MSOLQXFVSA-N 0 3 380.533 0.594 20 0 GCADHN C[C@H](NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cnccc1N ZINC000422712454 1194691362 /nfs/dbraw/zinc/69/13/62/1194691362.db2.gz OFVJGSPSRFRVGQ-HNNXBMFYSA-N 0 3 390.513 0.692 20 0 GCADHN CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503626470 1194701361 /nfs/dbraw/zinc/70/13/61/1194701361.db2.gz QAFYPYRQYPZTAX-UHFFFAOYSA-N 0 3 388.468 0.790 20 0 GCADHN COc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503641778 1194703219 /nfs/dbraw/zinc/70/32/19/1194703219.db2.gz FOUUZOIDZFMOKJ-UHFFFAOYSA-N 0 3 392.431 0.539 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000414702556 1194706775 /nfs/dbraw/zinc/70/67/75/1194706775.db2.gz HZLPSMPGKXKKMA-CYBMUJFWSA-N 0 3 375.425 0.909 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000549963647 1194715083 /nfs/dbraw/zinc/71/50/83/1194715083.db2.gz GVQZHSZCTQEULM-QGZVFWFLSA-N 0 3 376.501 0.321 20 0 GCADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000503766273 1194716526 /nfs/dbraw/zinc/71/65/26/1194716526.db2.gz VFCUDRGBRNFPRS-NVXWUHKLSA-N 0 3 394.541 0.740 20 0 GCADHN CCCN(C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000423003285 1194716569 /nfs/dbraw/zinc/71/65/69/1194716569.db2.gz LMNXZLGQLJLFJC-IXDOHACOSA-N 0 3 393.509 0.365 20 0 GCADHN N[C@@H](C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CCC1 ZINC000423039812 1194721196 /nfs/dbraw/zinc/72/11/96/1194721196.db2.gz RTOJNYBHHAOGRY-NVXWUHKLSA-N 0 3 381.498 0.888 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H](SC)C2)CC1 ZINC000503802376 1194721303 /nfs/dbraw/zinc/72/13/03/1194721303.db2.gz XYYTZMKVLFSWOY-HOTGVXAUSA-N 0 3 398.573 0.789 20 0 GCADHN N[C@H](C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CCC1 ZINC000423039814 1194721497 /nfs/dbraw/zinc/72/14/97/1194721497.db2.gz RTOJNYBHHAOGRY-RDJZCZTQSA-N 0 3 381.498 0.888 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C[C@H]1C[NH3+] ZINC000423121660 1194728874 /nfs/dbraw/zinc/72/88/74/1194728874.db2.gz AYYWQGJVARMOJF-GOEBONIOSA-N 0 3 388.468 0.120 20 0 GCADHN C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000423135147 1194732889 /nfs/dbraw/zinc/73/28/89/1194732889.db2.gz SWZLZDBSTYVJAN-GOEBONIOSA-N 0 3 388.468 0.262 20 0 GCADHN Cc1noc([C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C2CCOCC2)n1 ZINC000503946004 1194736083 /nfs/dbraw/zinc/73/60/83/1194736083.db2.gz KTSFZMDEFBDZMP-HOCLYGCPSA-N 0 3 379.461 0.372 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCc4c(F)cccc4C3)C2)nn1 ZINC000423291351 1194745112 /nfs/dbraw/zinc/74/51/12/1194745112.db2.gz HYGCQFMNJAXFMS-HNNXBMFYSA-N 0 3 386.431 0.624 20 0 GCADHN Cc1cccc2c1CN(C(=O)C(=O)N1CCC[C@@H](n3cc(CN)nn3)C1)CC2 ZINC000423318014 1194747230 /nfs/dbraw/zinc/74/72/30/1194747230.db2.gz BWPRWQYDSVLEDX-QGZVFWFLSA-N 0 3 382.468 0.794 20 0 GCADHN CCN(C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)[C@H](C)CS(=O)(=O)CC ZINC000423329541 1194749441 /nfs/dbraw/zinc/74/94/41/1194749441.db2.gz SZPNQYGDVDIZFH-HYVNUMGLSA-N 0 3 395.525 0.611 20 0 GCADHN COc1cccc2c1CCN(C(=O)C(=O)N1CCC[C@H](n3cc(CN)nn3)C1)C2 ZINC000423396193 1194753374 /nfs/dbraw/zinc/75/33/74/1194753374.db2.gz TXTKZDTUGYEBSW-INIZCTEOSA-N 0 3 398.467 0.494 20 0 GCADHN CCCCCOC1CN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000423442657 1194755457 /nfs/dbraw/zinc/75/54/57/1194755457.db2.gz ZJCDNRKQUDECAW-HNNXBMFYSA-N 0 3 378.477 0.318 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCOC[C@@H]3c3ccccc3)C2)nn1 ZINC000423428416 1194756412 /nfs/dbraw/zinc/75/64/12/1194756412.db2.gz RCOFXCLYMGQPDJ-ZWKOTPCHSA-N 0 3 398.467 0.500 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCOC[C@H]3c3ccccc3)C2)nn1 ZINC000423428415 1194756435 /nfs/dbraw/zinc/75/64/35/1194756435.db2.gz RCOFXCLYMGQPDJ-ROUUACIJSA-N 0 3 398.467 0.500 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(CCCN3CCOCC3)CC2)C[C@H](C)N1 ZINC000423452013 1194756523 /nfs/dbraw/zinc/75/65/23/1194756523.db2.gz VRKZRLXCAIRJTP-CALCHBBNSA-N 0 3 380.533 0.546 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1=O ZINC000504174948 1194760707 /nfs/dbraw/zinc/76/07/07/1194760707.db2.gz CDJKEPSUUZTOPQ-QGZVFWFLSA-N 0 3 376.476 0.880 20 0 GCADHN CCC[C@@]1(COC)CCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423566370 1194767570 /nfs/dbraw/zinc/76/75/70/1194767570.db2.gz ZEIHURGDHZDVKQ-APWZRJJASA-N 0 3 392.504 0.708 20 0 GCADHN CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423571541 1194768635 /nfs/dbraw/zinc/76/86/35/1194768635.db2.gz OUQJTAHERGZVKY-VQIMIIECSA-N 0 3 392.504 0.300 20 0 GCADHN C[C@@H]1CNCCN1C(=O)C(=O)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000423588238 1194771715 /nfs/dbraw/zinc/77/17/15/1194771715.db2.gz AXXYWIDCOZYYDC-GOSISDBHSA-N 0 3 387.528 0.083 20 0 GCADHN CCOc1cc(NC2CCN(C(=O)C(=O)N3CCCNCC3)CC2)ncn1 ZINC000423615783 1194773972 /nfs/dbraw/zinc/77/39/72/1194773972.db2.gz VNNAMNSOIZWREE-UHFFFAOYSA-N 0 3 376.461 0.100 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000423600049 1194775166 /nfs/dbraw/zinc/77/51/66/1194775166.db2.gz AENJMTASERODRV-UHFFFAOYSA-N 0 3 390.465 0.601 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C[C@@H](C)S1(=O)=O ZINC000423650664 1194779365 /nfs/dbraw/zinc/77/93/65/1194779365.db2.gz LPENVIDTTBJCPA-MXASKKJJSA-N 0 3 393.509 0.364 20 0 GCADHN CCCN(C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000423660359 1194780976 /nfs/dbraw/zinc/78/09/76/1194780976.db2.gz KFBFIAOONNCFDB-INIZCTEOSA-N 0 3 388.468 0.277 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCOC2)cc1)[C@@H]1CCCN(C)C1 ZINC000504326334 1194784496 /nfs/dbraw/zinc/78/44/96/1194784496.db2.gz WAZCVFKBLIOLLM-IAGOWNOFSA-N 0 3 388.468 0.696 20 0 GCADHN O=C(NCc1cccc(N2CCOCC2)n1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894285370 1194791176 /nfs/dbraw/zinc/79/11/76/1194791176.db2.gz PPYVDXDDQAUKRJ-MSOLQXFVSA-N 0 3 389.500 0.659 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H]1c1nncn1C ZINC000504446860 1194794466 /nfs/dbraw/zinc/79/44/66/1194794466.db2.gz UTAGNWZAOZYREH-CABCVRRESA-N 0 3 377.493 0.604 20 0 GCADHN CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@H]1CNCCO1 ZINC000423992055 1194797272 /nfs/dbraw/zinc/79/72/72/1194797272.db2.gz NPJQUXRCCZFTBH-ZNMIVQPWSA-N 0 3 384.521 0.317 20 0 GCADHN COc1ccc(CCN2C[C@H](C(=O)NC[C@H]3CNCCO3)CC2=O)cc1OC ZINC000423994352 1194797350 /nfs/dbraw/zinc/79/73/50/1194797350.db2.gz SFFQCCMGUJTXCV-HZPDHXFCSA-N 0 3 391.468 0.199 20 0 GCADHN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)NC[C@H]2CNCCO2)C1 ZINC000423984784 1194798266 /nfs/dbraw/zinc/79/82/66/1194798266.db2.gz CENWLCTZTNAECJ-FUHWJXTLSA-N 0 3 375.469 0.799 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000423990857 1194798305 /nfs/dbraw/zinc/79/83/05/1194798305.db2.gz DCGORUFFKRPCNV-UONOGXRCSA-N 0 3 381.860 0.672 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@@H](C(=O)NC[C@H]2CNCCO2)C(C)C)cc1 ZINC000423997642 1194798561 /nfs/dbraw/zinc/79/85/61/1194798561.db2.gz YSWVVEGFXQZFGF-GDBMZVCRSA-N 0 3 385.486 0.103 20 0 GCADHN O=C(CNC1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1)NC[C@H]1CCOC1 ZINC001482232416 1194798642 /nfs/dbraw/zinc/79/86/42/1194798642.db2.gz XDWORDRQGOKDGD-VQHPVUNQSA-N 0 3 379.501 0.725 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@@H](C(=O)NC[C@@H]2CNCCO2)C(C)C)cc1 ZINC000423997644 1194798692 /nfs/dbraw/zinc/79/86/92/1194798692.db2.gz YSWVVEGFXQZFGF-GOEBONIOSA-N 0 3 385.486 0.103 20 0 GCADHN Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c(O)c1 ZINC000424005448 1194798801 /nfs/dbraw/zinc/79/88/01/1194798801.db2.gz RXZSOYUFNIZPLG-HNNXBMFYSA-N 0 3 386.456 0.734 20 0 GCADHN CN1CC[C@@H](CNC(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1=O ZINC000424536854 1194820005 /nfs/dbraw/zinc/82/00/05/1194820005.db2.gz BQPYUWZOROCAMX-RDTXWAMCSA-N 0 3 382.464 0.940 20 0 GCADHN CN1CC[C@H](CNC(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1=O ZINC000424536846 1194820137 /nfs/dbraw/zinc/82/01/37/1194820137.db2.gz BQPYUWZOROCAMX-KBXCAEBGSA-N 0 3 382.464 0.940 20 0 GCADHN CS(=O)(=O)CCCCNC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000424540492 1194822582 /nfs/dbraw/zinc/82/25/82/1194822582.db2.gz GHLBOTLYZBDDKV-KRWDZBQOSA-N 0 3 391.493 0.897 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCC3(CO)COC3)c2)CC1 ZINC000505069153 1194826351 /nfs/dbraw/zinc/82/63/51/1194826351.db2.gz UMGCINRKIMNBDW-UHFFFAOYSA-N 0 3 390.484 0.281 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NCCCOCCO)cn2)CC1 ZINC000505336772 1194834684 /nfs/dbraw/zinc/83/46/84/1194834684.db2.gz WXZGUZLJKHCWAU-UHFFFAOYSA-N 0 3 380.445 0.008 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(F)cc2)CC1 ZINC000505348174 1194834825 /nfs/dbraw/zinc/83/48/25/1194834825.db2.gz FYTZHZFAPCLAKY-UHFFFAOYSA-N 0 3 392.475 0.958 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2csc(-c3nc[nH]n3)n2)CC1 ZINC000505398480 1194836405 /nfs/dbraw/zinc/83/64/05/1194836405.db2.gz YXQFMOXUXDWARF-UHFFFAOYSA-N 0 3 377.474 0.554 20 0 GCADHN C[C@H]1OCC[C@@]1(O)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000434281244 1194838429 /nfs/dbraw/zinc/83/84/29/1194838429.db2.gz HBLHJFCGRLZMJT-FOIQADDNSA-N 0 3 377.485 0.982 20 0 GCADHN C[C@@H]1OCC[C@@]1(O)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000434281245 1194838507 /nfs/dbraw/zinc/83/85/07/1194838507.db2.gz HBLHJFCGRLZMJT-MGPUTAFESA-N 0 3 377.485 0.982 20 0 GCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434350115 1194840911 /nfs/dbraw/zinc/84/09/11/1194840911.db2.gz PABKFULEGUOABF-KRWDZBQOSA-N 0 3 381.521 0.093 20 0 GCADHN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000513991303 1194843706 /nfs/dbraw/zinc/84/37/06/1194843706.db2.gz FKWYQERHEDRGLN-INIZCTEOSA-N 0 3 394.541 0.931 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 ZINC000434420330 1194844484 /nfs/dbraw/zinc/84/44/84/1194844484.db2.gz QIJLDTYTOGLCFF-UHFFFAOYSA-N 0 3 396.451 0.657 20 0 GCADHN COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000514083562 1194849085 /nfs/dbraw/zinc/84/90/85/1194849085.db2.gz MCTYQJWYPQESSP-IBGZPJMESA-N 0 3 390.528 0.456 20 0 GCADHN C[C@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000366588711 1194850520 /nfs/dbraw/zinc/85/05/20/1194850520.db2.gz QEEYBTOHBYHAPI-HIFRSBDPSA-N 0 3 378.473 0.609 20 0 GCADHN C[C@@H]1CN(CCN(C)C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C[C@H](C)O1 ZINC000434708952 1194861341 /nfs/dbraw/zinc/86/13/41/1194861341.db2.gz FBIJGSYGUHDFOO-SOLBZPMBSA-N 0 3 390.484 0.905 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CSCC(=O)N2CCOCC2)C[C@H](C)O1 ZINC000434788275 1194869761 /nfs/dbraw/zinc/86/97/61/1194869761.db2.gz TZNXEADVSPHWPZ-IYBDPMFKSA-N 0 3 387.546 0.584 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000434841161 1194873558 /nfs/dbraw/zinc/87/35/58/1194873558.db2.gz XJRVGQGQXOYNCG-HOCLYGCPSA-N 0 3 393.488 0.779 20 0 GCADHN CCc1csc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000434853522 1194874476 /nfs/dbraw/zinc/87/44/76/1194874476.db2.gz PLEZSAUWIYMDTE-CYBMUJFWSA-N 0 3 381.502 0.703 20 0 GCADHN C=C(Cl)C(=O)N1CCn2c(nnc2C(=O)NC2CCN(C)CC2)C[C@H]1C ZINC001269881464 1194878175 /nfs/dbraw/zinc/87/81/75/1194878175.db2.gz CDDARFIWMPSCFY-LLVKDONJSA-N 0 3 380.880 0.628 20 0 GCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000414860106 1194879443 /nfs/dbraw/zinc/87/94/43/1194879443.db2.gz CJYFUKLRMGPVGF-WFASDCNBSA-N 0 3 392.456 0.753 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000435003969 1194882777 /nfs/dbraw/zinc/88/27/77/1194882777.db2.gz GXHINEPQQYGENP-UHFFFAOYSA-N 0 3 384.502 0.360 20 0 GCADHN C[C@H](CNC(=O)c1cnn(CC(=O)NC2CCCC2)c1)CN1CCN(C)CC1 ZINC000435026888 1194884385 /nfs/dbraw/zinc/88/43/85/1194884385.db2.gz JWHWUWBQNNXIAD-MRXNPFEDSA-N 0 3 390.532 0.555 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000514596502 1194885922 /nfs/dbraw/zinc/88/59/22/1194885922.db2.gz ZJWITFKLSJGNKS-UHFFFAOYSA-N 0 3 396.850 0.585 20 0 GCADHN CC(=O)N1CCN(Cc2ccccc2NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000514605363 1194887033 /nfs/dbraw/zinc/88/70/33/1194887033.db2.gz OSPVXYQCSHDPFJ-IBGZPJMESA-N 0 3 389.500 0.389 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3c[nH]cc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000514615184 1194888074 /nfs/dbraw/zinc/88/80/74/1194888074.db2.gz RSFJKHLCWAYBCI-CJNGLKHVSA-N 0 3 382.420 0.837 20 0 GCADHN Cc1cc([C@H]2CCCN(C(=O)NCCCCN3CCN(CCO)CC3)C2)[nH]n1 ZINC000514680322 1194892359 /nfs/dbraw/zinc/89/23/59/1194892359.db2.gz WXBPXGXKOKGQKJ-SFHVURJKSA-N 0 3 392.548 0.997 20 0 GCADHN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000514748013 1194903057 /nfs/dbraw/zinc/90/30/57/1194903057.db2.gz VAINCYACQYKIEW-WBVHZDCISA-N 0 3 376.501 0.590 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(-c3ccccc3)nn2C)CC1=O ZINC000425309178 1194905230 /nfs/dbraw/zinc/90/52/30/1194905230.db2.gz CXQLDZCIEOVAEG-QGZVFWFLSA-N 0 3 399.495 0.996 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2nn(C)c3c2CCCC3)CC1=O ZINC000425313595 1194906898 /nfs/dbraw/zinc/90/68/98/1194906898.db2.gz IMQKZHMFIHUJLT-AWEZNQCLSA-N 0 3 377.489 0.208 20 0 GCADHN CCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000514784319 1194908226 /nfs/dbraw/zinc/90/82/26/1194908226.db2.gz AZFRHEDRPWPHMA-WFASDCNBSA-N 0 3 376.457 0.881 20 0 GCADHN C[C@@H]1[C@H](NC(=O)N2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)CCCN1C ZINC000435266448 1194908885 /nfs/dbraw/zinc/90/88/85/1194908885.db2.gz GYQPHLBEPCOKEX-BZUAXINKSA-N 0 3 392.504 0.110 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N3CCN4CCCC[C@H]4C3)C2)CC1 ZINC000514780379 1194910818 /nfs/dbraw/zinc/91/08/18/1194910818.db2.gz SMRNYSUORCUSQL-RBUKOAKNSA-N 0 3 391.560 0.310 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c[nH]nc2-c2ccccn2)CC1=O ZINC000425315611 1194911211 /nfs/dbraw/zinc/91/12/11/1194911211.db2.gz KJEOZVXGWQDIRK-AWEZNQCLSA-N 0 3 386.456 0.381 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2[nH]nc3c2cccc3OC)CC1=O ZINC000425315624 1194911282 /nfs/dbraw/zinc/91/12/82/1194911282.db2.gz KJMXCBKLTHHNQJ-ZDUSSCGKSA-N 0 3 389.456 0.480 20 0 GCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCn1ccnc1 ZINC000283247172 1194911772 /nfs/dbraw/zinc/91/17/72/1194911772.db2.gz DECXCMZWTKIATH-SFHVURJKSA-N 0 3 384.484 0.907 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCCN2c2ccccc2)CC1=O ZINC000425325078 1194911951 /nfs/dbraw/zinc/91/19/51/1194911951.db2.gz WZSSWFRHGCPYRY-MJGOQNOKSA-N 0 3 388.512 0.951 20 0 GCADHN CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)N[C@H]2CCCN(C)[C@@H]2C)C[C@H]1O ZINC000435283805 1194912401 /nfs/dbraw/zinc/91/24/01/1194912401.db2.gz BICUTBAWGSYSDX-SLBVQIDZSA-N 0 3 380.493 0.437 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)CC1=O ZINC000425321768 1194912824 /nfs/dbraw/zinc/91/28/24/1194912824.db2.gz RVQCCUDTNCOGKT-HNNXBMFYSA-N 0 3 389.456 0.589 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2cccc(NC(C)=O)c2)CC1=O ZINC000425321174 1194913538 /nfs/dbraw/zinc/91/35/38/1194913538.db2.gz RJRNHOGZHFOAPR-SFHVURJKSA-N 0 3 390.484 0.483 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2cccc(NC(C)=O)c2)CC1=O ZINC000425321173 1194913575 /nfs/dbraw/zinc/91/35/75/1194913575.db2.gz RJRNHOGZHFOAPR-GOSISDBHSA-N 0 3 390.484 0.483 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CC(=O)N1C ZINC000514806847 1194913582 /nfs/dbraw/zinc/91/35/82/1194913582.db2.gz GJHGYOYQJAIUCF-HNNXBMFYSA-N 0 3 396.557 0.543 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc3c(C)nn(C)c3n2)CC1=O ZINC000425323312 1194913982 /nfs/dbraw/zinc/91/39/82/1194913982.db2.gz UQMYZINQQCZRNG-AWEZNQCLSA-N 0 3 388.472 0.186 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cncc(OC(C)C)c2)CC1=O ZINC000425323776 1194914136 /nfs/dbraw/zinc/91/41/36/1194914136.db2.gz VJVQYYBCPXFGKB-MRXNPFEDSA-N 0 3 378.473 0.778 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)CC1=O ZINC000425322874 1194914779 /nfs/dbraw/zinc/91/47/79/1194914779.db2.gz UFOXHKSJZQUHSU-JKSUJKDBSA-N 0 3 377.489 0.049 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCc3cc(C)ccc3O2)CC1=O ZINC000425326172 1194916198 /nfs/dbraw/zinc/91/61/98/1194916198.db2.gz YHCFWTCSAWSOOY-PKOBYXMFSA-N 0 3 389.496 0.984 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(CCN(C)C)C2CC2)C1 ZINC000505660864 1194918049 /nfs/dbraw/zinc/91/80/49/1194918049.db2.gz TUGFXDFSVDLPLD-HNNXBMFYSA-N 0 3 397.545 0.980 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)nn1 ZINC000514860277 1194921767 /nfs/dbraw/zinc/92/17/67/1194921767.db2.gz MXSCKAMMKUWHGS-OALUTQOASA-N 0 3 384.484 0.801 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC(O)(CC)CC)CC1 ZINC000514889353 1194925390 /nfs/dbraw/zinc/92/53/90/1194925390.db2.gz ZITIUDFSSMVDPT-UHFFFAOYSA-N 0 3 384.521 0.056 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000653360191 1194930481 /nfs/dbraw/zinc/93/04/81/1194930481.db2.gz GYHQRBLSDMEYKV-UHFFFAOYSA-N 0 3 389.500 0.479 20 0 GCADHN O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000514954002 1194933455 /nfs/dbraw/zinc/93/34/55/1194933455.db2.gz MZPKCQYRBYPOCW-GOSISDBHSA-N 0 3 396.495 0.842 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000514974939 1194934048 /nfs/dbraw/zinc/93/40/48/1194934048.db2.gz MSWQSAPLZHMHKP-QGZVFWFLSA-N 0 3 394.541 0.592 20 0 GCADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425383675 1194934316 /nfs/dbraw/zinc/93/43/16/1194934316.db2.gz ISBIAWWFUFFBJJ-YTQUADARSA-N 0 3 385.512 0.839 20 0 GCADHN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000514986693 1194934882 /nfs/dbraw/zinc/93/48/82/1194934882.db2.gz QECOQRSMTQNVIX-AWEZNQCLSA-N 0 3 387.461 0.686 20 0 GCADHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C[C@@H](C)O1 ZINC000425387785 1194935853 /nfs/dbraw/zinc/93/58/53/1194935853.db2.gz NTCFSSVTQJSBMJ-UJWQCDCRSA-N 0 3 392.544 0.639 20 0 GCADHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C[C@H](C)O1 ZINC000425387792 1194936004 /nfs/dbraw/zinc/93/60/04/1194936004.db2.gz NTCFSSVTQJSBMJ-ZWJWXYIHSA-N 0 3 392.544 0.639 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2OC)CC1 ZINC000435486143 1194936485 /nfs/dbraw/zinc/93/64/85/1194936485.db2.gz ZZSOPFGIWNRNBI-UHFFFAOYSA-N 0 3 392.456 0.819 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000515027783 1194938064 /nfs/dbraw/zinc/93/80/64/1194938064.db2.gz CWLYTFXPIVSZLD-UHFFFAOYSA-N 0 3 375.473 0.821 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)[C@@H]2C1 ZINC000425387335 1194938541 /nfs/dbraw/zinc/93/85/41/1194938541.db2.gz NIANOPOIRSJEBV-ARFHVFGLSA-N 0 3 386.500 0.941 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000425388843 1194939531 /nfs/dbraw/zinc/93/95/31/1194939531.db2.gz PIJVLYAVYKAFLE-HZPDHXFCSA-N 0 3 378.477 0.011 20 0 GCADHN COc1ccc([C@@H](CO)N(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425388845 1194939687 /nfs/dbraw/zinc/93/96/87/1194939687.db2.gz PIMUVPCKCLGBFH-CGTJXYLNSA-N 0 3 375.469 0.740 20 0 GCADHN N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000515054127 1194942267 /nfs/dbraw/zinc/94/22/67/1194942267.db2.gz DXLXQBIMZCRLMR-GOSISDBHSA-N 0 3 396.495 0.532 20 0 GCADHN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000515060536 1194943093 /nfs/dbraw/zinc/94/30/93/1194943093.db2.gz YDWPRGBJODFJCC-WBVHZDCISA-N 0 3 391.520 0.978 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)CCCc3nc(-c4ccc(F)cc4)no3)CCN2C1=O ZINC000515074844 1194943495 /nfs/dbraw/zinc/94/34/95/1194943495.db2.gz ZLYVWBDQMZMFRL-CABCVRRESA-N 0 3 387.415 0.969 20 0 GCADHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425397145 1194948288 /nfs/dbraw/zinc/94/82/88/1194948288.db2.gz GDYYWKCOALARBK-RZQQEMMASA-N 0 3 379.501 0.977 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000515173334 1194953832 /nfs/dbraw/zinc/95/38/32/1194953832.db2.gz XJGTWLCYRPJUME-CYBMUJFWSA-N 0 3 382.486 0.476 20 0 GCADHN C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425402400 1194957085 /nfs/dbraw/zinc/95/70/85/1194957085.db2.gz MZBGKKHVERALER-CSODHUTKSA-N 0 3 384.480 0.443 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425407113 1194960945 /nfs/dbraw/zinc/96/09/45/1194960945.db2.gz VAPSQHZQRDDPNV-RZQQEMMASA-N 0 3 395.500 0.357 20 0 GCADHN CCOC1CC(CCNC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000515253916 1194963841 /nfs/dbraw/zinc/96/38/41/1194963841.db2.gz AHKJUQPVPLAPHT-UHFFFAOYSA-N 0 3 396.532 0.320 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)N1CCCC[C@@H]1C ZINC000515280030 1194964523 /nfs/dbraw/zinc/96/45/23/1194964523.db2.gz OKURIHUFCXLURN-UONOGXRCSA-N 0 3 376.457 0.868 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1OCCOC ZINC000284723335 1194967031 /nfs/dbraw/zinc/96/70/31/1194967031.db2.gz QNWNRWMDAJEZMS-MRXNPFEDSA-N 0 3 378.473 0.714 20 0 GCADHN CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000515319157 1194968240 /nfs/dbraw/zinc/96/82/40/1194968240.db2.gz XEBHBRVPZWVKQP-OAGGEKHMSA-N 0 3 382.505 0.071 20 0 GCADHN CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000515319155 1194968256 /nfs/dbraw/zinc/96/82/56/1194968256.db2.gz XEBHBRVPZWVKQP-ARFHVFGLSA-N 0 3 382.505 0.071 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000515352249 1194968531 /nfs/dbraw/zinc/96/85/31/1194968531.db2.gz OXSLCFMKBJKADQ-HNNXBMFYSA-N 0 3 392.485 0.187 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)[C@@H](O)c1cccc(Cl)c1)C2 ZINC001270027104 1194973258 /nfs/dbraw/zinc/97/32/58/1194973258.db2.gz ADBPWKOXDLLZFL-INIZCTEOSA-N 0 3 381.860 0.375 20 0 GCADHN Cc1nc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000515468372 1194977082 /nfs/dbraw/zinc/97/70/82/1194977082.db2.gz YNALAWSWEMMHPM-VHSXEESVSA-N 0 3 384.366 0.879 20 0 GCADHN CCc1n[nH]c(=O)c(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)c1CC ZINC000664520088 1194982228 /nfs/dbraw/zinc/98/22/28/1194982228.db2.gz LOYHQMKUZVNJBW-UHFFFAOYSA-N 0 3 380.493 0.468 20 0 GCADHN CC(C)(CCO)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000515586651 1194985043 /nfs/dbraw/zinc/98/50/43/1194985043.db2.gz IRCABXGEVYREGA-UHFFFAOYSA-N 0 3 390.484 0.600 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000425472702 1194988103 /nfs/dbraw/zinc/98/81/03/1194988103.db2.gz IFTQMMMCRIEENF-OALUTQOASA-N 0 3 396.509 0.616 20 0 GCADHN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000515672693 1194990195 /nfs/dbraw/zinc/99/01/95/1194990195.db2.gz IMNICWXUVQONFZ-MWDXBVQZSA-N 0 3 394.516 0.247 20 0 GCADHN Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)nc(C)n1 ZINC000515673319 1194990344 /nfs/dbraw/zinc/99/03/44/1194990344.db2.gz UXGQLEZIUOWBGM-CVEARBPZSA-N 0 3 387.488 0.016 20 0 GCADHN COc1ccc([C@H](CN(C)C)NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 ZINC000285994242 1194994210 /nfs/dbraw/zinc/99/42/10/1194994210.db2.gz IHGWEVFIWXLTEV-INIZCTEOSA-N 0 3 395.485 0.348 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)N3CCOCC4(CC4)C3)CC2)C[C@H](C)O1 ZINC000515795619 1194997713 /nfs/dbraw/zinc/99/77/13/1194997713.db2.gz MMDZQRKQFRGLBD-IRXDYDNUSA-N 0 3 393.528 0.973 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)NC2CCN(CCOC)CC2)c1 ZINC000505802937 1195001957 /nfs/dbraw/zinc/00/19/57/1195001957.db2.gz RVKNRPCOAZPSGB-UHFFFAOYSA-N 0 3 391.472 0.395 20 0 GCADHN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000515867870 1195003432 /nfs/dbraw/zinc/00/34/32/1195003432.db2.gz ZWUKSYKVXUUFPZ-PZJWPPBQSA-N 0 3 389.496 0.779 20 0 GCADHN CN(CCCNC(=O)CN1CC2(CCC2)[C@H]1C1CCOCC1)S(C)(=O)=O ZINC000425553845 1195008571 /nfs/dbraw/zinc/00/85/71/1195008571.db2.gz NHPWSYFXGPSABE-QGZVFWFLSA-N 0 3 387.546 0.665 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)N(C)Cc1ccccc1 ZINC000286809513 1195013176 /nfs/dbraw/zinc/01/31/76/1195013176.db2.gz ACYHOPGTONLBNT-QGZVFWFLSA-N 0 3 388.512 0.604 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N(C)C[C@H]3CCCC[C@H]3O)C2)CC1 ZINC000516008593 1195015351 /nfs/dbraw/zinc/01/53/51/1195015351.db2.gz LBGGQMLCNVURDZ-GUDVDZBRSA-N 0 3 394.560 0.623 20 0 GCADHN CC(C)(C)c1nc2cc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)ccc2o1 ZINC000516091015 1195021738 /nfs/dbraw/zinc/02/17/38/1195021738.db2.gz ALONGWHDWUMLBC-OLZOCXBDSA-N 0 3 399.451 0.834 20 0 GCADHN Cc1nnc([C@@H](C)NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)s1 ZINC000516114581 1195022673 /nfs/dbraw/zinc/02/26/73/1195022673.db2.gz LSTZTXVWZYGHMI-HIFRSBDPSA-N 0 3 394.545 0.651 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000516109471 1195024491 /nfs/dbraw/zinc/02/44/91/1195024491.db2.gz IQTKMRDZZRANGC-QGZVFWFLSA-N 0 3 378.517 0.979 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000516204583 1195031695 /nfs/dbraw/zinc/03/16/95/1195031695.db2.gz PUVZBCZOOCIZBU-KRWDZBQOSA-N 0 3 377.489 0.969 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C)cc(OC)c2O)CC1=O ZINC000436758855 1195032473 /nfs/dbraw/zinc/03/24/73/1195032473.db2.gz ZXQULNXFJOQQPN-AWEZNQCLSA-N 0 3 379.457 0.618 20 0 GCADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cnccc2N2CCN(C)CC2)C1 ZINC000516207895 1195033104 /nfs/dbraw/zinc/03/31/04/1195033104.db2.gz AFSKHVULIPJREH-OAHLLOKOSA-N 0 3 395.529 0.834 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000516206916 1195033274 /nfs/dbraw/zinc/03/32/74/1195033274.db2.gz GLJVHARGNHCCOK-UHFFFAOYSA-N 0 3 386.456 0.637 20 0 GCADHN C[C@H](C(=O)N(C)CC(=O)Nc1cnccc1N1CCN(C)CC1)n1cccn1 ZINC000516207602 1195033308 /nfs/dbraw/zinc/03/33/08/1195033308.db2.gz BTRQOMRYIGAZST-OAHLLOKOSA-N 0 3 385.472 0.688 20 0 GCADHN C[C@@H](C(=O)N(C)CC(=O)Nc1cnccc1N1CCN(C)CC1)n1cccn1 ZINC000516207601 1195033428 /nfs/dbraw/zinc/03/34/28/1195033428.db2.gz BTRQOMRYIGAZST-HNNXBMFYSA-N 0 3 385.472 0.688 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc3c2ccn(C)c3=O)CC1 ZINC000505882668 1195037002 /nfs/dbraw/zinc/03/70/02/1195037002.db2.gz IDXRMILAOWFPGW-UHFFFAOYSA-N 0 3 399.495 0.621 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000366653919 1195043696 /nfs/dbraw/zinc/04/36/96/1195043696.db2.gz NTDTUZYGUXDJON-BPQIPLTHSA-N 0 3 394.541 0.389 20 0 GCADHN Cc1c([C@@H]2CN(C(=O)NC[C@@H]3CCN3C(C)(C)C)C[C@H]2C(N)=O)cnn1C ZINC000623107769 1195046834 /nfs/dbraw/zinc/04/68/34/1195046834.db2.gz ADABDZYPYAXGRA-CWRNSKLLSA-N 0 3 376.505 0.812 20 0 GCADHN CCN1CCN(CCCNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000516396063 1195048213 /nfs/dbraw/zinc/04/82/13/1195048213.db2.gz RRPJCQMUBUCEAW-UHFFFAOYSA-N 0 3 387.484 0.602 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000366657233 1195048827 /nfs/dbraw/zinc/04/88/27/1195048827.db2.gz UQHSJTVPFZKHDQ-HZPDHXFCSA-N 0 3 381.498 0.351 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000366657229 1195048914 /nfs/dbraw/zinc/04/89/14/1195048914.db2.gz UQHSJTVPFZKHDQ-CVEARBPZSA-N 0 3 381.498 0.351 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3COCCO3)c(C)c2)CC1 ZINC000516457292 1195054690 /nfs/dbraw/zinc/05/46/90/1195054690.db2.gz FTABREBJGHUFFI-QGZVFWFLSA-N 0 3 390.484 0.607 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 ZINC000516452424 1195055726 /nfs/dbraw/zinc/05/57/26/1195055726.db2.gz CNABPDFIHHXTPO-UHFFFAOYSA-N 0 3 384.440 0.801 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000288288692 1195055840 /nfs/dbraw/zinc/05/58/40/1195055840.db2.gz VSQYFBAEMFOILM-KRWDZBQOSA-N 0 3 381.473 0.872 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CO1 ZINC000516465274 1195056854 /nfs/dbraw/zinc/05/68/54/1195056854.db2.gz AVQDYMCPOKPROK-YPMHNXCESA-N 0 3 376.413 0.388 20 0 GCADHN NCc1cn([C@@H]2CCCN(CC(=O)N3CCN(Cc4ccccc4)CC3)C2)nn1 ZINC000516476845 1195056903 /nfs/dbraw/zinc/05/69/03/1195056903.db2.gz YCUCJZUURSCMJT-HXUWFJFHSA-N 0 3 397.527 0.718 20 0 GCADHN CCS(=O)(=O)CCNC(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001270155255 1195057783 /nfs/dbraw/zinc/05/77/83/1195057783.db2.gz JBONPTUNJPJERX-GJZGRUSLSA-N 0 3 385.530 0.260 20 0 GCADHN COC[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000288551579 1195064096 /nfs/dbraw/zinc/06/40/96/1195064096.db2.gz MHCSLEVVHUYVHM-QGZVFWFLSA-N 0 3 375.469 0.076 20 0 GCADHN C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)[C@H](c1ccccc1)N(C)C ZINC000516574282 1195069610 /nfs/dbraw/zinc/06/96/10/1195069610.db2.gz KBSBNPBQSJDTIL-DZGCQCFKSA-N 0 3 385.472 0.712 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000516574426 1195069681 /nfs/dbraw/zinc/06/96/81/1195069681.db2.gz QHMGQCLQZVWWLE-OIISXLGYSA-N 0 3 380.514 0.840 20 0 GCADHN C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)[C@@H](c1ccccc1)N(C)C ZINC000516574283 1195069730 /nfs/dbraw/zinc/06/97/30/1195069730.db2.gz KBSBNPBQSJDTIL-HIFRSBDPSA-N 0 3 385.472 0.712 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cc(C(F)(F)F)nn1C ZINC000664609187 1195071062 /nfs/dbraw/zinc/07/10/62/1195071062.db2.gz BNUVLBSFGQTUJM-UHFFFAOYSA-N 0 3 390.410 0.473 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000516761669 1195094535 /nfs/dbraw/zinc/09/45/35/1195094535.db2.gz KVURWQUREBBRLE-OCCSQVGLSA-N 0 3 390.358 0.966 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000516895755 1195110739 /nfs/dbraw/zinc/11/07/39/1195110739.db2.gz MRPXIMCYRBDGDS-ZDUSSCGKSA-N 0 3 378.439 0.930 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425813423 1195115744 /nfs/dbraw/zinc/11/57/44/1195115744.db2.gz PASCLDFLMOITOE-WMLDXEAASA-N 0 3 388.468 0.693 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1OCC(N)=O ZINC000425812063 1195115799 /nfs/dbraw/zinc/11/57/99/1195115799.db2.gz MLMKDNGMSSSZDU-GXTWGEPZSA-N 0 3 390.440 0.050 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc4oc(=O)n(C)c4cc3F)[C@@H]2C1 ZINC000425815729 1195117104 /nfs/dbraw/zinc/11/71/04/1195117104.db2.gz DRXJYNPJUKZSQA-IINYFYTJSA-N 0 3 376.388 0.762 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](c4nnc[nH]4)C3)c2)CC1 ZINC000425817403 1195118702 /nfs/dbraw/zinc/11/87/02/1195118702.db2.gz HIUKPYHXSBFZOE-OAHLLOKOSA-N 0 3 397.483 0.901 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1S(N)(=O)=O ZINC000425818682 1195118980 /nfs/dbraw/zinc/11/89/80/1195118980.db2.gz JNDGPNUIVCMSPW-GXTWGEPZSA-N 0 3 380.470 0.134 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2cc(=O)[nH]c3ncn(C)c32)CC1 ZINC000516979949 1195119493 /nfs/dbraw/zinc/11/94/93/1195119493.db2.gz SQZCCXMUIGGHQT-UHFFFAOYSA-N 0 3 375.429 0.679 20 0 GCADHN CCc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cnn1-c1ccc(OC)cc1 ZINC000516982181 1195122962 /nfs/dbraw/zinc/12/29/62/1195122962.db2.gz XBCCCTJEVJAVIE-WMLDXEAASA-N 0 3 383.452 0.827 20 0 GCADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000517028502 1195125730 /nfs/dbraw/zinc/12/57/30/1195125730.db2.gz GCCUTFRGLBMGMW-OLZOCXBDSA-N 0 3 383.470 0.350 20 0 GCADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425824358 1195127108 /nfs/dbraw/zinc/12/71/08/1195127108.db2.gz YUMDCNQKLJVLLZ-WMLDXEAASA-N 0 3 388.468 0.693 20 0 GCADHN Cc1nc(-c2ccc(S(=O)(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc2)co1 ZINC000517041970 1195128579 /nfs/dbraw/zinc/12/85/79/1195128579.db2.gz HIJUMKUSQBULND-ZFWWWQNUSA-N 0 3 376.438 0.583 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)NCCc2ccc(F)cc2F)CC1(C)C ZINC000517046119 1195129760 /nfs/dbraw/zinc/12/97/60/1195129760.db2.gz MFUVFKJKZGXBDR-UHFFFAOYSA-N 0 3 382.455 0.766 20 0 GCADHN COc1ccnc(CNC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)n1 ZINC000425835166 1195132436 /nfs/dbraw/zinc/13/24/36/1195132436.db2.gz HJYHWVVPLNIYQE-UHFFFAOYSA-N 0 3 385.472 0.974 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000517101387 1195135801 /nfs/dbraw/zinc/13/58/01/1195135801.db2.gz YIDFCUPHTZFQNB-ZDUSSCGKSA-N 0 3 398.485 0.086 20 0 GCADHN CN1CCN(c2ncc(CN3CCC(C(=O)N4CCOCC4)CC3)cn2)CC1 ZINC000506100600 1195137347 /nfs/dbraw/zinc/13/73/47/1195137347.db2.gz DTBLBDMNHXXQCJ-UHFFFAOYSA-N 0 3 388.516 0.299 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1)Cc1ccccc1 ZINC000425857602 1195139035 /nfs/dbraw/zinc/13/90/35/1195139035.db2.gz BAOPOLJYIZRQIN-QZTJIDSGSA-N 0 3 384.484 0.731 20 0 GCADHN O=C(c1ccc2c(c1)CNC2)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000517140211 1195141299 /nfs/dbraw/zinc/14/12/99/1195141299.db2.gz QYBCWPCPNJGKSJ-QGZVFWFLSA-N 0 3 379.482 0.556 20 0 GCADHN C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425872861 1195144333 /nfs/dbraw/zinc/14/43/33/1195144333.db2.gz AHYHHIAWBGAUQS-YTQUADARSA-N 0 3 398.507 0.846 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1nc2ccccc2[nH]1 ZINC000517177330 1195147591 /nfs/dbraw/zinc/14/75/91/1195147591.db2.gz NWSCXPBOJFSIIQ-IOASZLSFSA-N 0 3 398.467 0.147 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1nc2ccccc2[nH]1 ZINC000517177332 1195147731 /nfs/dbraw/zinc/14/77/31/1195147731.db2.gz NWSCXPBOJFSIIQ-XEZPLFJOSA-N 0 3 398.467 0.147 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)Cc2ccccc2C1 ZINC000425891128 1195151178 /nfs/dbraw/zinc/15/11/78/1195151178.db2.gz SNHIHTPVJPHHPY-GOSISDBHSA-N 0 3 396.495 0.657 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)Cc2ccccc2C1 ZINC000425886445 1195152343 /nfs/dbraw/zinc/15/23/43/1195152343.db2.gz MJDCKJODZXPKQU-OAHLLOKOSA-N 0 3 386.496 0.186 20 0 GCADHN CN1CCN(C)[C@@H](CNC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425886502 1195152780 /nfs/dbraw/zinc/15/27/80/1195152780.db2.gz MPJJIVCTZVUTSL-SLFFLAALSA-N 0 3 399.539 0.081 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)o1 ZINC000425901110 1195158022 /nfs/dbraw/zinc/15/80/22/1195158022.db2.gz GDBNFDDSPZFQLY-HNNXBMFYSA-N 0 3 378.473 0.463 20 0 GCADHN CN(CC(=O)N(Cc1ccco1)C1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000517228980 1195158819 /nfs/dbraw/zinc/15/88/19/1195158819.db2.gz GVMNUPVABKWZEP-INIZCTEOSA-N 0 3 383.514 0.821 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000425901688 1195158879 /nfs/dbraw/zinc/15/88/79/1195158879.db2.gz HBDDADAERWYPCE-OAHLLOKOSA-N 0 3 392.475 0.701 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCN(Cc3nc(COC)no3)CC2)C1(C)C ZINC000517234279 1195159911 /nfs/dbraw/zinc/15/99/11/1195159911.db2.gz DBBNLOBGDBBMDI-SCLBCKFNSA-N 0 3 381.477 0.393 20 0 GCADHN COc1ccnc(CNC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)n1 ZINC000425903085 1195160972 /nfs/dbraw/zinc/16/09/72/1195160972.db2.gz WXGCOQZFKQROBE-UHFFFAOYSA-N 0 3 377.470 0.753 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOC3(CCSCC3)C2)CCO1 ZINC000517261692 1195163846 /nfs/dbraw/zinc/16/38/46/1195163846.db2.gz BFWGJALLMSPREW-HUUCEWRRSA-N 0 3 385.530 0.336 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)CC1 ZINC000425915145 1195166967 /nfs/dbraw/zinc/16/69/67/1195166967.db2.gz CWDDUQRGGFMZMQ-LLVKDONJSA-N 0 3 388.419 0.102 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000517277530 1195167821 /nfs/dbraw/zinc/16/78/21/1195167821.db2.gz GRHKBNCXWAGHAT-MRXNPFEDSA-N 0 3 387.484 0.096 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C2CCCC2)CC1 ZINC000517314568 1195170660 /nfs/dbraw/zinc/17/06/60/1195170660.db2.gz YODNKMCMDXJHKF-ROUUACIJSA-N 0 3 390.528 0.933 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)CC1=O ZINC000517361635 1195173809 /nfs/dbraw/zinc/17/38/09/1195173809.db2.gz XKOZUOQRXCZTFF-OAHLLOKOSA-N 0 3 386.456 0.381 20 0 GCADHN CN(C)[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000517536925 1195188980 /nfs/dbraw/zinc/18/89/80/1195188980.db2.gz FSRFURRAAQOMMI-INIZCTEOSA-N 0 3 383.452 0.608 20 0 GCADHN CN(C)[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000517536926 1195189096 /nfs/dbraw/zinc/18/90/96/1195189096.db2.gz FSRFURRAAQOMMI-MRXNPFEDSA-N 0 3 383.452 0.608 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@H](C3CCCC3)C2)CC1 ZINC000517552409 1195190020 /nfs/dbraw/zinc/19/00/20/1195190020.db2.gz QAPXYIVMQQDBIX-GOSISDBHSA-N 0 3 390.528 0.792 20 0 GCADHN CCOC(=O)Cn1nc(C)c(CN[C@@H]2CCc3nc(COC)nn3C2)c1C ZINC000438182170 1195191192 /nfs/dbraw/zinc/19/11/92/1195191192.db2.gz TVZIBDWWBZLFDD-CQSZACIVSA-N 0 3 376.461 0.906 20 0 GCADHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H](C)C1 ZINC000517597704 1195197753 /nfs/dbraw/zinc/19/77/53/1195197753.db2.gz YXDZUMBWTOGDJM-WOSRLPQWSA-N 0 3 394.497 0.461 20 0 GCADHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H](C)C1 ZINC000517597705 1195197964 /nfs/dbraw/zinc/19/79/64/1195197964.db2.gz YXDZUMBWTOGDJM-XEZPLFJOSA-N 0 3 394.497 0.461 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000517627127 1195198981 /nfs/dbraw/zinc/19/89/81/1195198981.db2.gz NWYBZCIYBXRDHO-DLBZAZTESA-N 0 3 381.517 0.877 20 0 GCADHN COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000438272202 1195201853 /nfs/dbraw/zinc/20/18/53/1195201853.db2.gz PTRHTPGIGMYKCF-QGZVFWFLSA-N 0 3 391.468 0.768 20 0 GCADHN O=C(NCC1(CO)COC1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000438263229 1195202144 /nfs/dbraw/zinc/20/21/44/1195202144.db2.gz VAIBHMVPXUTBHE-UHFFFAOYSA-N 0 3 393.509 0.342 20 0 GCADHN COc1cc(CN2CCN(CC(C)(C)O)C[C@H]2C)cc(OC)c1OCC(N)=O ZINC000438286224 1195204222 /nfs/dbraw/zinc/20/42/22/1195204222.db2.gz UVKLLQHIDUZJOL-CQSZACIVSA-N 0 3 395.500 0.845 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000292500682 1195206064 /nfs/dbraw/zinc/20/60/64/1195206064.db2.gz FQTNMEAKVLBQSK-UHFFFAOYSA-N 0 3 387.528 0.479 20 0 GCADHN COC(=O)CCc1nnc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)s1 ZINC000438323009 1195206988 /nfs/dbraw/zinc/20/69/88/1195206988.db2.gz OVUQMGQVWVWDDZ-GFCCVEGCSA-N 0 3 385.490 1.218 20 0 GCADHN COc1cc(CN2CCN(CC(C)(C)O)[C@H](C)C2)cc(OC)c1OCC(N)=O ZINC000438340019 1195208495 /nfs/dbraw/zinc/20/84/95/1195208495.db2.gz OUGUQKFIBWRZOI-CQSZACIVSA-N 0 3 395.500 0.845 20 0 GCADHN COCC(=O)N1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000517705609 1195209326 /nfs/dbraw/zinc/20/93/26/1195209326.db2.gz VTMZOCCCMYHYFU-UHFFFAOYSA-N 0 3 388.512 0.906 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000517706072 1195209376 /nfs/dbraw/zinc/20/93/76/1195209376.db2.gz WWURYRLKVDTECH-GVDBMIGSSA-N 0 3 376.501 0.543 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C[C@@H](C)S1(=O)=O ZINC000517741885 1195211953 /nfs/dbraw/zinc/21/19/53/1195211953.db2.gz HVTAHSCVTSKGNO-IOASZLSFSA-N 0 3 379.482 0.105 20 0 GCADHN CN1CCN(CCCCNC(=O)NCC(=O)N2CCc3ccccc3C2)CC1 ZINC000517773503 1195215989 /nfs/dbraw/zinc/21/59/89/1195215989.db2.gz CKJZOTSHROXQTP-UHFFFAOYSA-N 0 3 387.528 0.898 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000729431001 1195222119 /nfs/dbraw/zinc/22/21/19/1195222119.db2.gz DPAXDPFAGFGRSC-AEFFLSMTSA-N 0 3 387.484 0.676 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000729431004 1195222242 /nfs/dbraw/zinc/22/22/42/1195222242.db2.gz DPAXDPFAGFGRSC-WMZOPIPTSA-N 0 3 387.484 0.676 20 0 GCADHN C[C@H]1NC(C(=O)N(CCN(C)C)C[C@H]2CCCO2)=NN(c2ccccc2)C1=O ZINC000729430919 1195222592 /nfs/dbraw/zinc/22/25/92/1195222592.db2.gz ABIVYCCNDIAQSZ-NVXWUHKLSA-N 0 3 387.484 0.894 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N(C)Cc2ncnn2CC(F)F)CC1 ZINC000426047966 1195224898 /nfs/dbraw/zinc/22/48/98/1195224898.db2.gz HJUILVZQKKBLNC-AWEZNQCLSA-N 0 3 387.479 0.958 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000729430799 1195228555 /nfs/dbraw/zinc/22/85/55/1195228555.db2.gz DMTBEKFPSYBFLX-UHFFFAOYSA-N 0 3 395.481 0.644 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000517930923 1195229675 /nfs/dbraw/zinc/22/96/75/1195229675.db2.gz AGGOLBVLLJDCND-UHFFFAOYSA-N 0 3 393.513 0.364 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC2(CCOCC2)[C@H]1C)CN1CCN(C)CC1 ZINC000517974249 1195233203 /nfs/dbraw/zinc/23/32/03/1195233203.db2.gz QQIKWHJYSOELCQ-IAGOWNOFSA-N 0 3 380.533 0.404 20 0 GCADHN C[C@@H](NC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C)C1=CCN(C)CC1 ZINC000517996342 1195237075 /nfs/dbraw/zinc/23/70/75/1195237075.db2.gz VEQYVQAXBGNGLY-GDBMZVCRSA-N 0 3 387.550 0.597 20 0 GCADHN COC(=O)c1ccc(OC)c(S(=O)(=O)N(CCN(C)C)CCN(C)C)c1 ZINC000518032573 1195240279 /nfs/dbraw/zinc/24/02/79/1195240279.db2.gz ROVAUOKIOBNGLO-UHFFFAOYSA-N 0 3 387.502 0.596 20 0 GCADHN COC(=O)c1ccc(CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c(OC)c1 ZINC000293960970 1195240981 /nfs/dbraw/zinc/24/09/81/1195240981.db2.gz BBDAQIVXAWHKIR-INIZCTEOSA-N 0 3 391.468 0.551 20 0 GCADHN CCn1c(=O)c2ccccc2n(CC(=O)N(CCOC)CCN(C)C)c1=O ZINC000729432272 1195246574 /nfs/dbraw/zinc/24/65/74/1195246574.db2.gz QRDRPRJOERFZEY-UHFFFAOYSA-N 0 3 376.457 0.220 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426161547 1195252142 /nfs/dbraw/zinc/25/21/42/1195252142.db2.gz NVRMNAUPTGORLU-ZDUSSCGKSA-N 0 3 393.406 0.789 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)CCN2CCCCC2)c1 ZINC000653370290 1195253129 /nfs/dbraw/zinc/25/31/29/1195253129.db2.gz JWUAXOLGQSZNOS-UHFFFAOYSA-N 0 3 396.513 0.155 20 0 GCADHN CC(C)[C@H](CO)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000509560852 1195257674 /nfs/dbraw/zinc/25/76/74/1195257674.db2.gz SFFHZDLFXIHTHS-ZDUSSCGKSA-N 0 3 392.456 0.475 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)Cc2ccccc2C1 ZINC000506402558 1195258566 /nfs/dbraw/zinc/25/85/66/1195258566.db2.gz BWQUCGPLCBUMPE-OAQYLSRUSA-N 0 3 398.507 0.331 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)C(F)(F)C(F)(F)Cl)C2 ZINC001270407097 1195261793 /nfs/dbraw/zinc/26/17/93/1195261793.db2.gz XYADZKCQKPBOHK-UHFFFAOYSA-N 0 3 375.750 0.455 20 0 GCADHN C[C@H]1COCCN1CCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000506435728 1195269864 /nfs/dbraw/zinc/26/98/64/1195269864.db2.gz AVKKXHAOPBEFKU-INIZCTEOSA-N 0 3 388.512 0.039 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CC[C@H](c3nccn3C)C2)Cc2ccccc2C1 ZINC000506435808 1195270010 /nfs/dbraw/zinc/27/00/10/1195270010.db2.gz BQNQMZJGCHIUTL-SFHVURJKSA-N 0 3 395.507 0.951 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(N)ccc2F)CC1 ZINC000414970800 1195272149 /nfs/dbraw/zinc/27/21/49/1195272149.db2.gz HDNBQGLQKCFZRX-HNNXBMFYSA-N 0 3 377.420 0.111 20 0 GCADHN C[C@@H](c1ccc(NC(=O)NCC(=O)N2CCNCC2)cc1)N1CCOCC1 ZINC000518339441 1195281965 /nfs/dbraw/zinc/28/19/65/1195281965.db2.gz NBTYSTWMQRZUHB-HNNXBMFYSA-N 0 3 375.473 0.633 20 0 GCADHN CNS(=O)(=O)CCN[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000439135542 1195290283 /nfs/dbraw/zinc/29/02/83/1195290283.db2.gz PAIYVHFHRBCQDB-LBPRGKRZSA-N 0 3 382.486 0.891 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCN2CCCC2)c1C ZINC000439199141 1195295412 /nfs/dbraw/zinc/29/54/12/1195295412.db2.gz NJRQZPQOWHNUNX-UHFFFAOYSA-N 0 3 382.486 0.396 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCNC(=O)[C@H]3C)c(C)c2)CC1 ZINC000439199710 1195295721 /nfs/dbraw/zinc/29/57/21/1195295721.db2.gz MYZGYLQWTBHMTQ-OAHLLOKOSA-N 0 3 387.484 0.422 20 0 GCADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000439201450 1195295853 /nfs/dbraw/zinc/29/58/53/1195295853.db2.gz CRKSXGORRFQNGU-UHFFFAOYSA-N 0 3 376.457 0.890 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000439217878 1195296739 /nfs/dbraw/zinc/29/67/39/1195296739.db2.gz TZOHJSJQHPXHCT-UHFFFAOYSA-N 0 3 388.468 0.652 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000439212967 1195297251 /nfs/dbraw/zinc/29/72/51/1195297251.db2.gz HIZZMMZQZLUNTB-UHFFFAOYSA-N 0 3 386.452 0.828 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCNC(=O)[C@H]3C)c2)CC1 ZINC000439216227 1195297713 /nfs/dbraw/zinc/29/77/13/1195297713.db2.gz XIEJZNMGHAJIIE-OAHLLOKOSA-N 0 3 387.484 0.502 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000439216477 1195297772 /nfs/dbraw/zinc/29/77/72/1195297772.db2.gz PBWYMKNSOALAHU-UHFFFAOYSA-N 0 3 375.473 0.719 20 0 GCADHN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000439215895 1195297792 /nfs/dbraw/zinc/29/77/92/1195297792.db2.gz NGORTQUFRSZRCW-UHFFFAOYSA-N 0 3 375.473 0.679 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(C)CCN2CCCC2)c1C ZINC000439216176 1195297889 /nfs/dbraw/zinc/29/78/89/1195297889.db2.gz SAXKJDQKMPSICL-UHFFFAOYSA-N 0 3 382.486 0.444 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCCN2CC[NH2+]CC2)cc1OC ZINC000414994221 1195305942 /nfs/dbraw/zinc/30/59/42/1195305942.db2.gz UOAOVAPBDDUCNZ-UHFFFAOYSA-N 0 3 399.517 0.874 20 0 GCADHN COCCN(CCO)C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000439342775 1195309759 /nfs/dbraw/zinc/30/97/59/1195309759.db2.gz HIGCPRHXIVVURH-UHFFFAOYSA-N 0 3 392.500 0.623 20 0 GCADHN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000518622461 1195311176 /nfs/dbraw/zinc/31/11/76/1195311176.db2.gz RFWPKAFOXKSYJM-OAHLLOKOSA-N 0 3 391.534 0.738 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000439358662 1195313341 /nfs/dbraw/zinc/31/33/41/1195313341.db2.gz ZUCWGIJZLYSXDE-AWEZNQCLSA-N 0 3 375.473 0.678 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCN2CC[NH2+]CC2)cc1OC ZINC000414997122 1195315640 /nfs/dbraw/zinc/31/56/40/1195315640.db2.gz YUEVQQXWDLKMIW-UHFFFAOYSA-N 0 3 385.490 0.484 20 0 GCADHN Cc1cc(C)n(-c2ccc(CCNC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2)n1 ZINC000518797631 1195334482 /nfs/dbraw/zinc/33/44/82/1195334482.db2.gz BWZIMEYITNSFOG-RTBURBONSA-N 0 3 396.495 0.985 20 0 GCADHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3ccc4[nH]c(C(F)(F)F)nc4c3)CCN2C1=O ZINC000518796789 1195334515 /nfs/dbraw/zinc/33/45/15/1195334515.db2.gz AEEHINZEJDBNSK-GHMZBOCLSA-N 0 3 396.373 0.764 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)N1CCc2c1cccc2Cl ZINC000439644518 1195337944 /nfs/dbraw/zinc/33/79/44/1195337944.db2.gz SVPRVYKIFIQNIA-UHFFFAOYSA-N 0 3 383.876 0.628 20 0 GCADHN COCCN(CCN(C)C)C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000426447762 1195338293 /nfs/dbraw/zinc/33/82/93/1195338293.db2.gz BYSQLQNCNGKZEL-IBGZPJMESA-N 0 3 382.505 0.914 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)Cc3cc(Cl)ccn3)C2)OCC1=O ZINC001270524203 1195342595 /nfs/dbraw/zinc/34/25/95/1195342595.db2.gz UBABABQHHXPSSG-SFHVURJKSA-N 0 3 380.876 0.669 20 0 GCADHN Cn1cc([C@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)CCO2)cn1 ZINC000297697065 1195344050 /nfs/dbraw/zinc/34/40/50/1195344050.db2.gz MKUJJEMBFBJRAZ-IAGOWNOFSA-N 0 3 375.473 0.407 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000439912207 1195365804 /nfs/dbraw/zinc/36/58/04/1195365804.db2.gz PWQGYMGAOPBJFJ-UHFFFAOYSA-N 0 3 383.518 0.436 20 0 GCADHN Cn1ccn2c(CCNC(=O)CC3(N4CCOCC4)CCCC3)nnc2c1=O ZINC000894391842 1195366313 /nfs/dbraw/zinc/36/63/13/1195366313.db2.gz GAVWIMNYSRCXFQ-UHFFFAOYSA-N 0 3 388.472 0.122 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000519162433 1195374764 /nfs/dbraw/zinc/37/47/64/1195374764.db2.gz LZJJZJKYIYUGTH-MJBXVCDLSA-N 0 3 396.513 0.911 20 0 GCADHN COC[C@@H](C)n1ccc(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)n1 ZINC000426552819 1195376065 /nfs/dbraw/zinc/37/60/65/1195376065.db2.gz APTVCQRZDGBEIG-OAHLLOKOSA-N 0 3 399.495 1.244 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)C[C@@H]1O ZINC000519178877 1195377176 /nfs/dbraw/zinc/37/71/76/1195377176.db2.gz PXOVNESPICGGSF-IUVQAAGXSA-N 0 3 393.484 0.850 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000519191210 1195378849 /nfs/dbraw/zinc/37/88/49/1195378849.db2.gz MNFNTCSQPJRZKJ-UHFFFAOYSA-N 0 3 381.436 0.968 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)[C@H](C)c2ccncc2)CC1 ZINC000298729547 1195379210 /nfs/dbraw/zinc/37/92/10/1195379210.db2.gz OUXQVRMLGAYWHS-MRXNPFEDSA-N 0 3 389.500 0.614 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)Cc2ccccc2C(=O)OC)CC1 ZINC000440080631 1195383221 /nfs/dbraw/zinc/38/32/21/1195383221.db2.gz OWPQQEKHVFPWGA-OAHLLOKOSA-N 0 3 383.514 0.919 20 0 GCADHN COCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000440095004 1195384283 /nfs/dbraw/zinc/38/42/83/1195384283.db2.gz AQDNIVWNJNDSPK-KRWDZBQOSA-N 0 3 392.500 0.669 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@H]1CCOC1 ZINC000440174815 1195391007 /nfs/dbraw/zinc/39/10/07/1195391007.db2.gz KQYUYJNHPOKDIE-STQMWFEESA-N 0 3 390.440 0.636 20 0 GCADHN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000440281405 1195400961 /nfs/dbraw/zinc/40/09/61/1195400961.db2.gz KKCVXZVAEDKOHW-UHFFFAOYSA-N 0 3 375.473 0.128 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000440266418 1195401586 /nfs/dbraw/zinc/40/15/86/1195401586.db2.gz CSDPXGUPAAUWKL-UHFFFAOYSA-N 0 3 387.484 0.606 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)nn1-c1ccccc1 ZINC000440287360 1195402040 /nfs/dbraw/zinc/40/20/40/1195402040.db2.gz UWAAWKPRZJCCET-UHFFFAOYSA-N 0 3 398.511 1.215 20 0 GCADHN C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1nnc2n1CCC2 ZINC000519409608 1195403433 /nfs/dbraw/zinc/40/34/33/1195403433.db2.gz CDYABGRLFHBKGI-KGLIPLIRSA-N 0 3 377.493 0.527 20 0 GCADHN COc1cccc([C@@H](CNC(=O)C(=O)N2CCN(C)CC[C@@H]2C)N(C)C)c1 ZINC000550029560 1195408289 /nfs/dbraw/zinc/40/82/89/1195408289.db2.gz RFWMZZRDYVQELJ-MAUKXSAKSA-N 0 3 376.501 0.967 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000519455089 1195408846 /nfs/dbraw/zinc/40/88/46/1195408846.db2.gz NIWJNLUWEHOBIO-INIZCTEOSA-N 0 3 397.438 0.623 20 0 GCADHN O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000550030328 1195415199 /nfs/dbraw/zinc/41/51/99/1195415199.db2.gz GDVKRIVZHMHJOS-LJQANCHMSA-N 0 3 399.539 0.273 20 0 GCADHN CNC(=O)C1CCC(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000550034745 1195417059 /nfs/dbraw/zinc/41/70/59/1195417059.db2.gz FPFQZPBUAGXFRB-DAWZGUTISA-N 0 3 388.512 0.697 20 0 GCADHN CC(=O)N1CCC(CNC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000550034473 1195418029 /nfs/dbraw/zinc/41/80/29/1195418029.db2.gz NAGRJOJLKMDPOQ-IBGZPJMESA-N 0 3 388.512 0.650 20 0 GCADHN Cn1c(C(=O)NCCN2CCCC(C)(C)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000519519865 1195420445 /nfs/dbraw/zinc/42/04/45/1195420445.db2.gz DBVDWBCAJREMNH-UHFFFAOYSA-N 0 3 375.473 0.428 20 0 GCADHN COC(=O)C1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000550037016 1195421560 /nfs/dbraw/zinc/42/15/60/1195421560.db2.gz RSEPCWWTPIRLES-QGZVFWFLSA-N 0 3 375.469 0.687 20 0 GCADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000550037565 1195421960 /nfs/dbraw/zinc/42/19/60/1195421960.db2.gz WABLTKWAIUKIRF-OKZBNKHCSA-N 0 3 377.485 0.586 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)C[C@@H]1O ZINC000664811182 1195424187 /nfs/dbraw/zinc/42/41/87/1195424187.db2.gz PLHFFGRBFQKVTI-IRXDYDNUSA-N 0 3 382.892 0.993 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000119648685 1195428208 /nfs/dbraw/zinc/42/82/08/1195428208.db2.gz OAHXWOXQFGJIAT-AEFFLSMTSA-N 0 3 376.501 0.762 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000519549526 1195429085 /nfs/dbraw/zinc/42/90/85/1195429085.db2.gz KYBNQCBBUOUUIC-ZBFHGGJFSA-N 0 3 394.497 0.005 20 0 GCADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000110683155 1195430069 /nfs/dbraw/zinc/43/00/69/1195430069.db2.gz WZLYGDPRUACYNA-IBGZPJMESA-N 0 3 388.512 0.924 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC000110747676 1195430839 /nfs/dbraw/zinc/43/08/39/1195430839.db2.gz LLXIDBCHZBNPNC-UHFFFAOYSA-N 0 3 396.557 0.758 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)Cc1ccccc1 ZINC000048834122 1195434294 /nfs/dbraw/zinc/43/42/94/1195434294.db2.gz NGXLLAKUYFPQTM-SFHVURJKSA-N 0 3 382.464 0.942 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000550096826 1195435438 /nfs/dbraw/zinc/43/54/38/1195435438.db2.gz LPKKOCQETDGRMH-KZNAEPCWSA-N 0 3 398.548 0.075 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000550096827 1195435643 /nfs/dbraw/zinc/43/56/43/1195435643.db2.gz LPKKOCQETDGRMH-OKZBNKHCSA-N 0 3 398.548 0.075 20 0 GCADHN C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)C(=O)NCCN1CCCCC1 ZINC000550117733 1195441414 /nfs/dbraw/zinc/44/14/14/1195441414.db2.gz UYXGOYJLLNSNRC-OAHLLOKOSA-N 0 3 385.468 0.503 20 0 GCADHN C[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)NCCN1CCCCC1 ZINC000550131048 1195442722 /nfs/dbraw/zinc/44/27/22/1195442722.db2.gz CFIMANDSOZHHLY-MRXNPFEDSA-N 0 3 388.516 0.800 20 0 GCADHN Cc1ccc(OCCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c(C)c1 ZINC000550150487 1195447686 /nfs/dbraw/zinc/44/76/86/1195447686.db2.gz JNPFRBYWYLMTFT-UHFFFAOYSA-N 0 3 390.528 0.894 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000550141194 1195447894 /nfs/dbraw/zinc/44/78/94/1195447894.db2.gz RRMWENWHVOMOGD-YJBOKZPZSA-N 0 3 380.445 0.445 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000550141193 1195447947 /nfs/dbraw/zinc/44/79/47/1195447947.db2.gz RRMWENWHVOMOGD-QAPCUYQASA-N 0 3 380.445 0.445 20 0 GCADHN COC(=O)[C@@H]1[C@@H](CN[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1(F)F ZINC000894603650 1195449996 /nfs/dbraw/zinc/44/99/96/1195449996.db2.gz WRRKWBLYOPZPMF-BYCMXARLSA-N 0 3 399.442 0.851 20 0 GCADHN CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000894599856 1195450901 /nfs/dbraw/zinc/45/09/01/1195450901.db2.gz VEACUVSONPOCHT-ZDUSSCGKSA-N 0 3 390.456 0.979 20 0 GCADHN CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000894599856 1195450903 /nfs/dbraw/zinc/45/09/03/1195450903.db2.gz VEACUVSONPOCHT-ZDUSSCGKSA-N 0 3 390.456 0.979 20 0 GCADHN CN(C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)[C@H]1CCCN(C)C1 ZINC000894599856 1195450906 /nfs/dbraw/zinc/45/09/06/1195450906.db2.gz VEACUVSONPOCHT-ZDUSSCGKSA-N 0 3 390.456 0.979 20 0 GCADHN C[C@H]1Cc2cc(C(=O)NCCCN3CCN(C)CC3)ccc2N1S(C)(=O)=O ZINC000121135987 1195452117 /nfs/dbraw/zinc/45/21/17/1195452117.db2.gz WSEMAIKQWSIULA-HNNXBMFYSA-N 0 3 394.541 0.765 20 0 GCADHN C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000519566360 1195459302 /nfs/dbraw/zinc/45/93/02/1195459302.db2.gz UBYOVRFLWCDTIT-DEKZCIIQSA-N 0 3 395.525 0.277 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCc1nnc2n1CCCCC2)N1CCC[C@@H](C)C1 ZINC000550203477 1195460152 /nfs/dbraw/zinc/46/01/52/1195460152.db2.gz RBFVWMYMPMEKOW-HZPDHXFCSA-N 0 3 390.532 0.900 20 0 GCADHN CCO[C@@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1(C)C ZINC000415194248 1195467242 /nfs/dbraw/zinc/46/72/42/1195467242.db2.gz MSCKIKUWKAKZCJ-UZLBHIALSA-N 0 3 391.468 0.789 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1F ZINC000550242740 1195468099 /nfs/dbraw/zinc/46/80/99/1195468099.db2.gz RFEKFFHQUREUCW-KRWDZBQOSA-N 0 3 392.475 0.809 20 0 GCADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894799774 1195473056 /nfs/dbraw/zinc/47/30/56/1195473056.db2.gz AJXHGJNUBIDNBR-PMPSAXMXSA-N 0 3 388.534 0.041 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)N1CCOCC1 ZINC000550275736 1195475317 /nfs/dbraw/zinc/47/53/17/1195475317.db2.gz DGIVUPUYSVDCOI-DLBZAZTESA-N 0 3 382.549 0.696 20 0 GCADHN Cc1nc(Cn2cc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)nn2)no1 ZINC000426699992 1195477221 /nfs/dbraw/zinc/47/72/21/1195477221.db2.gz NQDDWDKPHCMMTH-IBGZPJMESA-N 0 3 397.439 0.385 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000550278590 1195482932 /nfs/dbraw/zinc/48/29/32/1195482932.db2.gz XAFAFBHUMWKVFU-ZWKOTPCHSA-N 0 3 382.549 0.840 20 0 GCADHN CCN(C[C@H](C)O)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000507037774 1195487071 /nfs/dbraw/zinc/48/70/71/1195487071.db2.gz RINOGMSRLOJQLG-AWEZNQCLSA-N 0 3 390.484 0.552 20 0 GCADHN C[C@H]1CCC[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000519586993 1195488303 /nfs/dbraw/zinc/48/83/03/1195488303.db2.gz NEIKIRUNFWSIGB-IRXDYDNUSA-N 0 3 378.517 0.790 20 0 GCADHN C[C@H]1CCC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000519586989 1195488373 /nfs/dbraw/zinc/48/83/73/1195488373.db2.gz NEIKIRUNFWSIGB-DLBZAZTESA-N 0 3 378.517 0.790 20 0 GCADHN CCc1nc(C)c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000426963898 1195495592 /nfs/dbraw/zinc/49/55/92/1195495592.db2.gz JIHPYGUXNXWBHG-ZDUSSCGKSA-N 0 3 393.513 0.717 20 0 GCADHN COC(=O)[C@]1(C)CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@H]1C ZINC000507217028 1195503888 /nfs/dbraw/zinc/50/38/88/1195503888.db2.gz HXUQNURVGDNHOV-VQIMIIECSA-N 0 3 384.521 0.217 20 0 GCADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)c1ccc[nH]c1=S)C2 ZINC001270741838 1195514872 /nfs/dbraw/zinc/51/48/72/1195514872.db2.gz DVAQESQCJORLHI-SFHVURJKSA-N 0 3 378.498 0.623 20 0 GCADHN COc1ccc(CCNC(=O)N2CCN(C)CC[C@H]2C)cc1S(N)(=O)=O ZINC000507404469 1195517228 /nfs/dbraw/zinc/51/72/28/1195517228.db2.gz JQLOYDOERPQWPV-CYBMUJFWSA-N 0 3 384.502 0.621 20 0 GCADHN CCN1CCCN(C(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)CC1 ZINC000507414382 1195518519 /nfs/dbraw/zinc/51/85/19/1195518519.db2.gz OJGKGJQUXAYRQB-UHFFFAOYSA-N 0 3 384.502 0.622 20 0 GCADHN CC(=O)N[C@@H](CC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)C(N)=O ZINC000427305051 1195526184 /nfs/dbraw/zinc/52/61/84/1195526184.db2.gz PUAUEGUYFCWQAK-VBQJREDUSA-N 0 3 382.505 0.104 20 0 GCADHN CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000427324007 1195527555 /nfs/dbraw/zinc/52/75/55/1195527555.db2.gz JVIIMZUOXNOZJU-IBGZPJMESA-N 0 3 376.457 0.867 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN[C@@H](C)[C@H]2C)C1 ZINC000366789988 1195540541 /nfs/dbraw/zinc/54/05/41/1195540541.db2.gz JQFBVWDZYMTDDH-LNSITVRQSA-N 0 3 384.502 0.901 20 0 GCADHN COC(CNC(=O)[C@@H]1CCCN1C1CC1)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000427467851 1195542958 /nfs/dbraw/zinc/54/29/58/1195542958.db2.gz XAZIKTWYMNDFBS-ROUUACIJSA-N 0 3 378.517 0.487 20 0 GCADHN C[C@@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001029121948 1195550795 /nfs/dbraw/zinc/55/07/95/1195550795.db2.gz ALCJAEHXMILKFL-HUHSQHJXSA-N 0 3 377.489 0.583 20 0 GCADHN C[C@H](NCc1cn(C)nn1)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001029121949 1195550937 /nfs/dbraw/zinc/55/09/37/1195550937.db2.gz ALCJAEHXMILKFL-QXRTWZOPSA-N 0 3 377.489 0.583 20 0 GCADHN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H]2C1 ZINC000664914907 1195554871 /nfs/dbraw/zinc/55/48/71/1195554871.db2.gz IEFHLYHKKFFQQC-GVDBMIGSSA-N 0 3 381.521 0.295 20 0 GCADHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H]2C1 ZINC000664914908 1195555244 /nfs/dbraw/zinc/55/52/44/1195555244.db2.gz IEFHLYHKKFFQQC-ULQDDVLXSA-N 0 3 381.521 0.295 20 0 GCADHN CC(C)OCc1nc([C@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C)no1 ZINC000664933444 1195557040 /nfs/dbraw/zinc/55/70/40/1195557040.db2.gz IZGQGWPIAVNDKU-ZDUSSCGKSA-N 0 3 384.481 0.717 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3N3CCCCC3)CCN2C1=O ZINC000519619817 1195558411 /nfs/dbraw/zinc/55/84/11/1195558411.db2.gz WIBVUUDKGXLUBW-CABCVRRESA-N 0 3 385.468 0.386 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3N3CCCCC3)CCN2C1=O ZINC000519619828 1195558435 /nfs/dbraw/zinc/55/84/35/1195558435.db2.gz WIBVUUDKGXLUBW-GJZGRUSLSA-N 0 3 385.468 0.386 20 0 GCADHN Cc1c(C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)sc2nccn12 ZINC001270806863 1195558578 /nfs/dbraw/zinc/55/85/78/1195558578.db2.gz POFLSMPOMAGWJJ-UHFFFAOYSA-N 0 3 377.470 0.319 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3N3CCCCC3)CCN2C1=O ZINC000519619832 1195558592 /nfs/dbraw/zinc/55/85/92/1195558592.db2.gz WIBVUUDKGXLUBW-LSDHHAIUSA-N 0 3 385.468 0.386 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(CCC(F)(F)F)cc3)CCN2C1=O ZINC000519656862 1195560560 /nfs/dbraw/zinc/56/05/60/1195560560.db2.gz VTDWLOHBYKLIKN-UONOGXRCSA-N 0 3 398.385 0.890 20 0 GCADHN CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@H]3CNCCO3)cc(C3CC3)nc21 ZINC000519638781 1195561066 /nfs/dbraw/zinc/56/10/66/1195561066.db2.gz BHTFSZCJVQUGQJ-GFCCVEGCSA-N 0 3 387.440 0.503 20 0 GCADHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)CCN2C1=O ZINC000519702174 1195563910 /nfs/dbraw/zinc/56/39/10/1195563910.db2.gz DSTKKPRXJPBYLB-DLBZAZTESA-N 0 3 394.479 0.932 20 0 GCADHN N[C@H]1C[C@H]2CN(CC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)CCN2C1=O ZINC000519702193 1195564014 /nfs/dbraw/zinc/56/40/14/1195564014.db2.gz DSTKKPRXJPBYLB-IRXDYDNUSA-N 0 3 394.479 0.932 20 0 GCADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000519704050 1195564080 /nfs/dbraw/zinc/56/40/80/1195564080.db2.gz GHSZHDBJYLYRTP-IEBWSBKVSA-N 0 3 398.507 0.836 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)CCN2C1=O ZINC000519702704 1195564137 /nfs/dbraw/zinc/56/41/37/1195564137.db2.gz DNBHJGHUYJPTCV-WNRNVDISSA-N 0 3 384.480 0.284 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)CCN2C1=O ZINC000519702679 1195564161 /nfs/dbraw/zinc/56/41/61/1195564161.db2.gz DNBHJGHUYJPTCV-BRSBDYLESA-N 0 3 384.480 0.284 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000519700452 1195564296 /nfs/dbraw/zinc/56/42/96/1195564296.db2.gz AAQWORUHPZWODU-UHFFFAOYSA-N 0 3 387.484 0.634 20 0 GCADHN COc1cccc([C@@H](CNC(=O)C(=O)N(C)CCN2CCCC2)N(C)C)c1 ZINC000519706649 1195566486 /nfs/dbraw/zinc/56/64/86/1195566486.db2.gz RDIGBWGMWMDWCL-GOSISDBHSA-N 0 3 376.501 0.968 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4ccccc4Cl)CC3)CCN2C1=O ZINC000519715913 1195566955 /nfs/dbraw/zinc/56/69/55/1195566955.db2.gz STPJUDBYWDUOQJ-SWLSCSKDSA-N 0 3 390.871 0.258 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1c(F)cccc1F ZINC000519770967 1195568695 /nfs/dbraw/zinc/56/86/95/1195568695.db2.gz OOEWTIAJNRSZHP-TUKIKUTGSA-N 0 3 381.427 0.521 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1c(F)cccc1F ZINC000519770957 1195569101 /nfs/dbraw/zinc/56/91/01/1195569101.db2.gz OOEWTIAJNRSZHP-NILFDRSVSA-N 0 3 381.427 0.521 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCSC[C@@H]3CO)cn2)CC1 ZINC000440660518 1195573525 /nfs/dbraw/zinc/57/35/25/1195573525.db2.gz AMZIUEITBCYLEO-AWEZNQCLSA-N 0 3 394.497 0.429 20 0 GCADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H](C)CN1 ZINC000519829718 1195573984 /nfs/dbraw/zinc/57/39/84/1195573984.db2.gz YPZXNHFQWGZYKN-OLZOCXBDSA-N 0 3 383.470 0.335 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000519829720 1195573996 /nfs/dbraw/zinc/57/39/96/1195573996.db2.gz YPZXNHFQWGZYKN-QWHCGFSZSA-N 0 3 383.470 0.335 20 0 GCADHN CN(C)CCn1nccc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000519855777 1195577983 /nfs/dbraw/zinc/57/79/83/1195577983.db2.gz FPMDAQGHASTWHC-UHFFFAOYSA-N 0 3 383.460 0.738 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@H]2CNCCO2)n(-c2ccc(Cl)cc2)n1 ZINC000415866682 1195581546 /nfs/dbraw/zinc/58/15/46/1195581546.db2.gz OJGNROOWKIKRBX-CQSZACIVSA-N 0 3 377.832 0.877 20 0 GCADHN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c(N2CCOCC2)c1 ZINC000440816561 1195584231 /nfs/dbraw/zinc/58/42/31/1195584231.db2.gz NDWAUKVANDYAKP-SFHVURJKSA-N 0 3 388.512 0.858 20 0 GCADHN Cc1cc(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)nc(N2CCCC2)n1 ZINC000664951491 1195585215 /nfs/dbraw/zinc/58/52/15/1195585215.db2.gz MXEYMBRKYRWXHL-UHFFFAOYSA-N 0 3 391.520 0.547 20 0 GCADHN CCOCCO[C@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000440850740 1195586406 /nfs/dbraw/zinc/58/64/06/1195586406.db2.gz UCDDOUUBQDKNSI-IRXDYDNUSA-N 0 3 384.521 0.766 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC000188168935 1195592698 /nfs/dbraw/zinc/59/26/98/1195592698.db2.gz IGOFPCRRADBMAB-UHFFFAOYSA-N 0 3 382.530 0.960 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000440975603 1195593266 /nfs/dbraw/zinc/59/32/66/1195593266.db2.gz AHWVHKNFZYCQEE-CYBMUJFWSA-N 0 3 395.485 0.069 20 0 GCADHN CN1CCN(CCNC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1(C)C ZINC000440995798 1195594917 /nfs/dbraw/zinc/59/49/17/1195594917.db2.gz XBIDGAGMYOMOSV-UHFFFAOYSA-N 0 3 382.553 0.848 20 0 GCADHN COc1ccc(S(=O)(=O)NC(C)(C)CN(C)C)cc1[C@]1(C)NC(=O)NC1=O ZINC000416508860 1195600267 /nfs/dbraw/zinc/60/02/67/1195600267.db2.gz PKYWMHULYDVBCP-KRWDZBQOSA-N 0 3 398.485 0.368 20 0 GCADHN COC(=O)c1ccc(C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)s1 ZINC001270836417 1195607619 /nfs/dbraw/zinc/60/76/19/1195607619.db2.gz JQNFEJYILKZZNK-UHFFFAOYSA-N 0 3 381.454 0.150 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC[S@@](=O)C3)c2)CC1 ZINC000441193085 1195608926 /nfs/dbraw/zinc/60/89/26/1195608926.db2.gz FXDIZURCFGKZKS-RKOGDMNLSA-N 0 3 392.525 0.793 20 0 GCADHN COC(=O)[C@H](O)C1CCN(C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000441240202 1195613653 /nfs/dbraw/zinc/61/36/53/1195613653.db2.gz AOFCRCQSXFJKPP-SJLPKXTDSA-N 0 3 380.441 0.631 20 0 GCADHN COC(=O)[C@@H](O)C1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000441230047 1195614795 /nfs/dbraw/zinc/61/47/95/1195614795.db2.gz JDRJPSTYURMGMY-HOTGVXAUSA-N 0 3 391.424 0.110 20 0 GCADHN COCC[C@]1(NCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CCOC1 ZINC000520332209 1195621568 /nfs/dbraw/zinc/62/15/68/1195621568.db2.gz IACHVNAPGLKZNL-XLIONFOSSA-N 0 3 376.453 0.898 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N(CCOC)CCN(CC)CC)CC1 ZINC000729488697 1195637196 /nfs/dbraw/zinc/63/71/96/1195637196.db2.gz AIHKGSLXVPBHAW-UHFFFAOYSA-N 0 3 394.538 0.296 20 0 GCADHN CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)N1CCOCC1 ZINC000550345957 1195639540 /nfs/dbraw/zinc/63/95/40/1195639540.db2.gz NIDKMXJPNMZKKY-MNEFBYGVSA-N 0 3 394.560 0.839 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000046947700 1195641211 /nfs/dbraw/zinc/64/12/11/1195641211.db2.gz CXWJXQVASCIBSJ-HNNXBMFYSA-N 0 3 394.541 0.765 20 0 GCADHN Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000535379347 1195642033 /nfs/dbraw/zinc/64/20/33/1195642033.db2.gz BKIWKFLHOGYHGD-UHFFFAOYSA-N 0 3 397.541 0.518 20 0 GCADHN COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000550364370 1195644841 /nfs/dbraw/zinc/64/48/41/1195644841.db2.gz AVRDKLXSYQRSGB-SJORKVTESA-N 0 3 399.532 0.240 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000550364367 1195644974 /nfs/dbraw/zinc/64/49/74/1195644974.db2.gz AVRDKLXSYQRSGB-DLBZAZTESA-N 0 3 399.532 0.240 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000550364368 1195645072 /nfs/dbraw/zinc/64/50/72/1195645072.db2.gz AVRDKLXSYQRSGB-IAGOWNOFSA-N 0 3 399.532 0.240 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 ZINC000112916875 1195645585 /nfs/dbraw/zinc/64/55/85/1195645585.db2.gz PHYUFLGPZHMPMN-MRXNPFEDSA-N 0 3 382.530 0.449 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000550371386 1195645974 /nfs/dbraw/zinc/64/59/74/1195645974.db2.gz XSDRNKUCPWNSJZ-MRXNPFEDSA-N 0 3 394.422 0.346 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)N(C)C ZINC000550367681 1195646818 /nfs/dbraw/zinc/64/68/18/1195646818.db2.gz HQGMEFKEMVVSKU-SZMVWBNQSA-N 0 3 388.512 0.967 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C(C)C)N1CCN(C)CC1 ZINC000550383746 1195651317 /nfs/dbraw/zinc/65/13/17/1195651317.db2.gz RYWHLHVYUJIJQI-MSOLQXFVSA-N 0 3 381.565 0.173 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2coc(C3CCOCC3)n2)CC1 ZINC000328740702 1195663151 /nfs/dbraw/zinc/66/31/51/1195663151.db2.gz LYIKUNOKDYYFLX-INIZCTEOSA-N 0 3 376.457 0.947 20 0 GCADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCCO1 ZINC000520434407 1195668868 /nfs/dbraw/zinc/66/88/68/1195668868.db2.gz ZNHKUGGKYXEAGY-INIZCTEOSA-N 0 3 376.505 0.764 20 0 GCADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000328895605 1195675393 /nfs/dbraw/zinc/67/53/93/1195675393.db2.gz BMLARTPXBQYWJU-UXHICEINSA-N 0 3 397.523 0.326 20 0 GCADHN CSc1nc2nc(C)c(CC(=O)N3CCO[C@@H]4CCN(C)C[C@@H]43)c(C)n2n1 ZINC000328934335 1195676413 /nfs/dbraw/zinc/67/64/13/1195676413.db2.gz CEBUBRKYDPVROL-LSDHHAIUSA-N 0 3 390.513 0.937 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000665009011 1195711087 /nfs/dbraw/zinc/71/10/87/1195711087.db2.gz YNAQEABYHJCMFP-KRWDZBQOSA-N 0 3 383.518 0.346 20 0 GCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000729493883 1195712207 /nfs/dbraw/zinc/71/22/07/1195712207.db2.gz BRGVUOKHMBEJKZ-DLBZAZTESA-N 0 3 396.513 0.398 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000330988013 1195716601 /nfs/dbraw/zinc/71/66/01/1195716601.db2.gz GOARTDDUQPVIGD-QGZVFWFLSA-N 0 3 381.498 0.760 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(F)c1 ZINC000331099952 1195719390 /nfs/dbraw/zinc/71/93/90/1195719390.db2.gz OBWHWEZYXATGNP-HNNXBMFYSA-N 0 3 385.461 0.761 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000520448366 1195731023 /nfs/dbraw/zinc/73/10/23/1195731023.db2.gz DGXNKMDABLHLNM-MLGOLLRUSA-N 0 3 397.476 0.645 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000334076657 1195733625 /nfs/dbraw/zinc/73/36/25/1195733625.db2.gz PZJUUYLCYBVGAO-RYUDHWBXSA-N 0 3 393.410 0.001 20 0 GCADHN COC[C@@H](CNC(=O)CN1CCC(C)CC1)NC(=O)CN1CCC(C)CC1 ZINC000188944124 1195741505 /nfs/dbraw/zinc/74/15/05/1195741505.db2.gz OXQKKAWKRJSLPI-GOSISDBHSA-N 0 3 382.549 0.698 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NCc1ncnn1C(C)(C)C)Cc1ccccc1 ZINC000550409792 1195743592 /nfs/dbraw/zinc/74/35/92/1195743592.db2.gz AEUCPRFJNCMUSG-MRXNPFEDSA-N 0 3 386.500 0.938 20 0 GCADHN CN1CCN(C)[C@H](CNC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)C1 ZINC000536356032 1195744926 /nfs/dbraw/zinc/74/49/26/1195744926.db2.gz QTVDYFHVINKMPS-GUDVDZBRSA-N 0 3 375.517 0.167 20 0 GCADHN CCSc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000579376776 1195748103 /nfs/dbraw/zinc/74/81/03/1195748103.db2.gz BWDTVRARHGRLIR-JGGQBBKZSA-N 0 3 390.509 0.746 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000665049370 1195748535 /nfs/dbraw/zinc/74/85/35/1195748535.db2.gz SDXCHKCSPXDVDC-HOCLYGCPSA-N 0 3 380.493 0.302 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NCCCN1CCCCC1=O)Cc1ccccc1 ZINC000550412139 1195748881 /nfs/dbraw/zinc/74/88/81/1195748881.db2.gz INPGPAVAJDNMAX-GOSISDBHSA-N 0 3 388.512 0.794 20 0 GCADHN O=C(NCCN1CCN(c2ccccc2)CC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729496638 1195749515 /nfs/dbraw/zinc/74/95/15/1195749515.db2.gz JZEVJMRPUAPATJ-WOJBJXKFSA-N 0 3 387.528 0.971 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(O)cc2)CC1 ZINC000520474970 1195752077 /nfs/dbraw/zinc/75/20/77/1195752077.db2.gz LYIVBQHYZUOYNB-UHFFFAOYSA-N 0 3 376.457 0.135 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](O)[C@H](C)C3)cc2)CC1 ZINC000189743404 1195752185 /nfs/dbraw/zinc/75/21/85/1195752185.db2.gz RDKJHEYLEPOHHD-APWZRJJASA-N 0 3 388.512 0.992 20 0 GCADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn(CCOC)n1)N(C)C ZINC001719866235 1195752432 /nfs/dbraw/zinc/75/24/32/1195752432.db2.gz ILCCEVOKKPEYDM-IWCQGFGOSA-N 0 3 377.489 0.731 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000550413006 1195753122 /nfs/dbraw/zinc/75/31/22/1195753122.db2.gz PWSYUGOKRIIWNB-SJLPKXTDSA-N 0 3 376.501 0.112 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CN(C)CCO1)CC(C)(C)C ZINC001719866026 1195753282 /nfs/dbraw/zinc/75/32/82/1195753282.db2.gz CTMDNMNNLWIZIJ-QZWWFDLISA-N 0 3 380.533 0.543 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)CN1CCOCC1 ZINC000550413786 1195754881 /nfs/dbraw/zinc/75/48/81/1195754881.db2.gz ZDFNURAEIHCNAC-MJGOQNOKSA-N 0 3 390.528 0.360 20 0 GCADHN CN(C)c1nccc(CNC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)n1 ZINC000550415826 1195760704 /nfs/dbraw/zinc/76/07/04/1195760704.db2.gz ZDUURVVIRCGGDQ-KRWDZBQOSA-N 0 3 384.484 0.448 20 0 GCADHN COC(=O)[C@@H]1CN(C[C@H](O)CN2CCOCC2)C[C@H]1c1ccc(F)cc1F ZINC000425512633 1195768587 /nfs/dbraw/zinc/76/85/87/1195768587.db2.gz QIGISGKLZIEUDD-HYVNUMGLSA-N 0 3 384.423 0.846 20 0 GCADHN CN1CCC(N(Cc2ccco2)C(=O)NCCOCCS(N)(=O)=O)CC1 ZINC000665101143 1195775109 /nfs/dbraw/zinc/77/51/09/1195775109.db2.gz KUNPMIBKAGYMPH-UHFFFAOYSA-N 0 3 388.490 0.191 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000189761940 1195797446 /nfs/dbraw/zinc/79/74/46/1195797446.db2.gz OHKMCWGUJGIBEA-UHFFFAOYSA-N 0 3 398.511 0.966 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000427601572 1195797455 /nfs/dbraw/zinc/79/74/55/1195797455.db2.gz LSQJVRONSZDVKD-CQSZACIVSA-N 0 3 394.501 0.072 20 0 GCADHN Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000520611665 1195799971 /nfs/dbraw/zinc/79/99/71/1195799971.db2.gz QYFJKGREMZNEPF-SJORKVTESA-N 0 3 393.447 0.766 20 0 GCADHN Cc1nccn1CCNC(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC000520617761 1195802663 /nfs/dbraw/zinc/80/26/63/1195802663.db2.gz AVKKNIRFPTUTSX-UHFFFAOYSA-N 0 3 386.504 0.883 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000520621187 1195804157 /nfs/dbraw/zinc/80/41/57/1195804157.db2.gz XJXYLFHNFVYGAT-CHWSQXEVSA-N 0 3 392.422 0.504 20 0 GCADHN CCN1CCN(CCNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000189794506 1195807929 /nfs/dbraw/zinc/80/79/29/1195807929.db2.gz ZNHOTTGVDJJFRJ-ZWKOTPCHSA-N 0 3 378.517 0.181 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000193100565 1195808532 /nfs/dbraw/zinc/80/85/32/1195808532.db2.gz WAVPFEKHOLQQPR-UHFFFAOYSA-N 0 3 380.514 0.511 20 0 GCADHN CCO[C@@H]1COC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000459121874 1195809269 /nfs/dbraw/zinc/80/92/69/1195809269.db2.gz RKHFBNRRPXWTRE-INDMIFKZSA-N 0 3 377.485 0.973 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCN1CCOC ZINC000520654943 1195814490 /nfs/dbraw/zinc/81/44/90/1195814490.db2.gz RMKBSXOXBBBNCJ-LZLYRXPVSA-N 0 3 380.533 0.687 20 0 GCADHN COCCOC1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CCOCC1 ZINC000895099741 1195817267 /nfs/dbraw/zinc/81/72/67/1195817267.db2.gz LQVKYXQWOBXBQM-SJORKVTESA-N 0 3 385.505 0.439 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000441720284 1195824675 /nfs/dbraw/zinc/82/46/75/1195824675.db2.gz ZKTQPSFHKLTQNA-KUNJGFBQSA-N 0 3 394.541 0.752 20 0 GCADHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000520698698 1195825484 /nfs/dbraw/zinc/82/54/84/1195825484.db2.gz SQQLEKJZKGYOPK-GOSISDBHSA-N 0 3 395.463 0.837 20 0 GCADHN CN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccnc4ccccc43)CC2)C1=O ZINC000614660337 1195833306 /nfs/dbraw/zinc/83/33/06/1195833306.db2.gz IDXPRHRKSCTBFS-UHFFFAOYSA-N 0 3 381.392 0.304 20 0 GCADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000106916882 1195835992 /nfs/dbraw/zinc/83/59/92/1195835992.db2.gz VUOTTZGISQOZAZ-KRWDZBQOSA-N 0 3 382.530 0.830 20 0 GCADHN O=C(NCCN1CCN(c2ccccc2)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000520747493 1195843559 /nfs/dbraw/zinc/84/35/59/1195843559.db2.gz XQVBGOMCGMOFKB-LJQANCHMSA-N 0 3 389.544 0.955 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc1 ZINC000441779874 1195845839 /nfs/dbraw/zinc/84/58/39/1195845839.db2.gz VQSZBZMGDRGUPS-OLZOCXBDSA-N 0 3 392.456 0.373 20 0 GCADHN Cn1nnnc1SCCC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000520760618 1195848564 /nfs/dbraw/zinc/84/85/64/1195848564.db2.gz FOHWWACDWLXNKW-UHFFFAOYSA-N 0 3 389.529 0.756 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C(N)=O)cc4)C[C@H]32)C1 ZINC001075804093 1195853101 /nfs/dbraw/zinc/85/31/01/1195853101.db2.gz UQPSJKHWTIQNLF-BVPBIZIASA-N 0 3 384.480 0.733 20 0 GCADHN CC(=O)N1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)C(C)C)CC1 ZINC001719892603 1195853914 /nfs/dbraw/zinc/85/39/14/1195853914.db2.gz PBIRZQBBKCQNTQ-KURKYZTESA-N 0 3 378.517 0.833 20 0 GCADHN COCCCN(C(=O)Cc1cc(S(N)(=O)=O)cn1C)C1CCN(C)CC1 ZINC000427724383 1195871036 /nfs/dbraw/zinc/87/10/36/1195871036.db2.gz XSCGIGQGBYHYME-UHFFFAOYSA-N 0 3 386.518 0.174 20 0 GCADHN COCCCN(C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C1CCN(C)CC1 ZINC000427784324 1195878315 /nfs/dbraw/zinc/87/83/15/1195878315.db2.gz NNSJXBUFRWGZPE-UHFFFAOYSA-N 0 3 389.456 0.607 20 0 GCADHN C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000427850533 1195884901 /nfs/dbraw/zinc/88/49/01/1195884901.db2.gz JJWDWNMONUVVMC-QWHCGFSZSA-N 0 3 390.440 0.324 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](CO)[C@@H]3C)cc2)CC1 ZINC000427865438 1195888953 /nfs/dbraw/zinc/88/89/53/1195888953.db2.gz HXKDPOMFQBTCQU-FUHWJXTLSA-N 0 3 388.512 0.992 20 0 GCADHN COCCn1cc(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cn1 ZINC000508118254 1195901173 /nfs/dbraw/zinc/90/11/73/1195901173.db2.gz DYEKFQGHWZHAJJ-HXUWFJFHSA-N 0 3 387.484 0.966 20 0 GCADHN COc1cccc([C@H](CNC(=O)Cn2ncn3nccc3c2=O)N2CCCC2)c1 ZINC000487408713 1195901358 /nfs/dbraw/zinc/90/13/58/1195901358.db2.gz UFDNWXGIJMSVRQ-SFHVURJKSA-N 0 3 396.451 0.853 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000428110458 1195913404 /nfs/dbraw/zinc/91/34/04/1195913404.db2.gz GMCXJVPTNOGENL-CJNGLKHVSA-N 0 3 377.489 0.988 20 0 GCADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729529570 1195914449 /nfs/dbraw/zinc/91/44/49/1195914449.db2.gz WXNDKWBDEYRUOY-GJZGRUSLSA-N 0 3 387.484 0.790 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000508299259 1195916355 /nfs/dbraw/zinc/91/63/55/1195916355.db2.gz LIJZVBIXNJBNFK-MRXNPFEDSA-N 0 3 388.578 0.723 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000441855070 1195926319 /nfs/dbraw/zinc/92/63/19/1195926319.db2.gz NBMXLUKRDQVZKQ-UHFFFAOYSA-N 0 3 384.440 0.268 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1 ZINC000441976648 1195935380 /nfs/dbraw/zinc/93/53/80/1195935380.db2.gz LRVSCPVBTDSEKQ-CYBMUJFWSA-N 0 3 391.424 0.799 20 0 GCADHN COc1cc(CNCCC(=O)N2CCN(C)CC2)cc(Cl)c1OCC(N)=O ZINC000520960265 1195942379 /nfs/dbraw/zinc/94/23/79/1195942379.db2.gz WSTXXDHHXWSERV-UHFFFAOYSA-N 0 3 398.891 0.466 20 0 GCADHN O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000521068482 1195959535 /nfs/dbraw/zinc/95/95/35/1195959535.db2.gz AYACXQPFYKYNIG-UHFFFAOYSA-N 0 3 399.451 0.091 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccc(CN4CCCC4=O)cc3)CCN2C1=O ZINC000521070914 1195959843 /nfs/dbraw/zinc/95/98/43/1195959843.db2.gz SCUQAVVFPLSOMX-DLBZAZTESA-N 0 3 385.468 0.262 20 0 GCADHN CCc1nc(C(C)(C)NC(=O)NCCCCN2CCN(CCO)CC2)no1 ZINC000442161783 1195960567 /nfs/dbraw/zinc/96/05/67/1195960567.db2.gz AVVWBPBEJATADK-UHFFFAOYSA-N 0 3 382.509 0.556 20 0 GCADHN CCN1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000521128057 1195966303 /nfs/dbraw/zinc/96/63/03/1195966303.db2.gz OSQNWSRTNACRHT-UHFFFAOYSA-N 0 3 382.530 0.335 20 0 GCADHN CC(C)(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1CCOCC1 ZINC000521206981 1195976808 /nfs/dbraw/zinc/97/68/08/1195976808.db2.gz WJCFBTPJSVWGLF-UHFFFAOYSA-N 0 3 381.521 0.047 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)C1=CCN(C)CC1 ZINC000442333641 1195976911 /nfs/dbraw/zinc/97/69/11/1195976911.db2.gz KZPAUWSOQPULAZ-CQSZACIVSA-N 0 3 385.468 0.917 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C1=CCN(C)CC1 ZINC000442340782 1195979501 /nfs/dbraw/zinc/97/95/01/1195979501.db2.gz HUYZPYFZUBZPDP-CZUORRHYSA-N 0 3 398.463 0.597 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000474034977 1195989679 /nfs/dbraw/zinc/98/96/79/1195989679.db2.gz VAECZGOJLZRBCF-UHFFFAOYSA-N 0 3 391.516 0.766 20 0 GCADHN COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000521371921 1195992106 /nfs/dbraw/zinc/99/21/06/1195992106.db2.gz QETMUROTNWIXGY-MFKMUULPSA-N 0 3 393.387 0.647 20 0 GCADHN C[NH+](C)[C@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000442593149 1195995741 /nfs/dbraw/zinc/99/57/41/1195995741.db2.gz NGZNVJWWRFQMFM-ZDUSSCGKSA-N 0 3 390.456 0.979 20 0 GCADHN CO[C@@H]1COC[C@H]1NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000521430694 1195995949 /nfs/dbraw/zinc/99/59/49/1195995949.db2.gz YOYPRCXRCWFSSH-RTBURBONSA-N 0 3 376.501 0.907 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C[C@@H]1O ZINC000521477530 1195997831 /nfs/dbraw/zinc/99/78/31/1195997831.db2.gz QXYYBERVSRPZFD-SZMVWBNQSA-N 0 3 377.460 0.740 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000442788650 1196004202 /nfs/dbraw/zinc/00/42/02/1196004202.db2.gz XBNHGPYMWMHYKT-IXDOHACOSA-N 0 3 399.532 0.236 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCCc3nn(C)cc32)CC1=O ZINC000521638909 1196008305 /nfs/dbraw/zinc/00/83/05/1196008305.db2.gz GYWOPQOSRSWGIJ-GJZGRUSLSA-N 0 3 377.489 0.135 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1)C1=CCN(C)CC1 ZINC000550463271 1196009033 /nfs/dbraw/zinc/00/90/33/1196009033.db2.gz JKYRXUJETDYWBO-OLZOCXBDSA-N 0 3 394.497 0.278 20 0 GCADHN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442900501 1196010363 /nfs/dbraw/zinc/01/03/63/1196010363.db2.gz PXODWVHPWQCXRN-CQSZACIVSA-N 0 3 386.500 0.823 20 0 GCADHN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442900498 1196010449 /nfs/dbraw/zinc/01/04/49/1196010449.db2.gz PXODWVHPWQCXRN-AWEZNQCLSA-N 0 3 386.500 0.823 20 0 GCADHN CN(C)C(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000442997468 1196014518 /nfs/dbraw/zinc/01/45/18/1196014518.db2.gz ZNDRNRZIGLBOKE-OAHLLOKOSA-N 0 3 396.513 0.254 20 0 GCADHN COc1cccc(C[C@H](O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000443041158 1196017212 /nfs/dbraw/zinc/01/72/12/1196017212.db2.gz AHTZOOCIJSCGOK-MSOLQXFVSA-N 0 3 375.469 0.364 20 0 GCADHN COC(=O)CN1CCC([NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000443068378 1196017614 /nfs/dbraw/zinc/01/76/14/1196017614.db2.gz KNVXPUAIMBGBDL-UHFFFAOYSA-N 0 3 391.440 0.470 20 0 GCADHN COC(=O)c1cc(F)cc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000443099882 1196020341 /nfs/dbraw/zinc/02/03/41/1196020341.db2.gz GSKCCXHWJNGFLD-UHFFFAOYSA-N 0 3 387.477 0.917 20 0 GCADHN CC[C@H](C)n1nc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1C ZINC000443119127 1196020725 /nfs/dbraw/zinc/02/07/25/1196020725.db2.gz KVLGGJNDUOSYCE-AWEZNQCLSA-N 0 3 378.521 1.243 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)ccc1C(N)=O ZINC000443117904 1196020822 /nfs/dbraw/zinc/02/08/22/1196020822.db2.gz HHFSANCZUUWGIS-UHFFFAOYSA-N 0 3 375.473 0.175 20 0 GCADHN CC[C@@H](C)n1nc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1C ZINC000443119128 1196021010 /nfs/dbraw/zinc/02/10/10/1196021010.db2.gz KVLGGJNDUOSYCE-CQSZACIVSA-N 0 3 378.521 1.243 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1(C)C ZINC000443122331 1196021180 /nfs/dbraw/zinc/02/11/80/1196021180.db2.gz UMSYICBJZAFVLH-AREMUKBSSA-N 0 3 380.514 0.505 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc([S@](C)=O)c(F)c2)CC1(C)C ZINC000443123110 1196021429 /nfs/dbraw/zinc/02/14/29/1196021429.db2.gz JKNPGVPBUVOFOZ-MHZLTWQESA-N 0 3 398.504 0.644 20 0 GCADHN CN(C)C(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000443120594 1196021592 /nfs/dbraw/zinc/02/15/92/1196021592.db2.gz ULOQTTYNOXUPHX-UHFFFAOYSA-N 0 3 389.500 0.469 20 0 GCADHN C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000443237095 1196029175 /nfs/dbraw/zinc/02/91/75/1196029175.db2.gz BOPNEGGGSHWWRL-LRDDRELGSA-N 0 3 389.456 0.134 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC12CCC2 ZINC000521979719 1196031181 /nfs/dbraw/zinc/03/11/81/1196031181.db2.gz NTJSSUHTNQVEER-KRWDZBQOSA-N 0 3 390.528 0.792 20 0 GCADHN COC(=O)c1ccccc1CS(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000443290503 1196036468 /nfs/dbraw/zinc/03/64/68/1196036468.db2.gz PUMKMADXXNRXLP-INIZCTEOSA-N 0 3 384.498 0.985 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2cccc(-c3nnnn3C)c2)CC1 ZINC000443298163 1196037234 /nfs/dbraw/zinc/03/72/34/1196037234.db2.gz SBSULJFXBSGQDZ-HNNXBMFYSA-N 0 3 394.501 0.248 20 0 GCADHN C[C@H]1CN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@H](C(N)=O)O1 ZINC000624357647 1196039923 /nfs/dbraw/zinc/03/99/23/1196039923.db2.gz ZWRYSCRTCKRWGG-WMLDXEAASA-N 0 3 375.473 0.578 20 0 GCADHN CS[C@H]1CN(C(=O)c2nnn(Cc3noc(C)n3)c2C)C[C@@H]1N1CCCC1 ZINC000522056229 1196040885 /nfs/dbraw/zinc/04/08/85/1196040885.db2.gz NVKZOSANCJCASI-KBPBESRZSA-N 0 3 391.501 0.978 20 0 GCADHN CNc1nc(N[C@H](C)c2cn(C)nc2C)nc(N[C@@H](C)c2cn(C)nc2C)n1 ZINC000443422525 1196046147 /nfs/dbraw/zinc/04/61/47/1196046147.db2.gz KYOGONUXPPMIEZ-PHIMTYICSA-N 0 3 384.492 0.609 20 0 GCADHN CCC(=O)Nc1cccc(CNC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000550488542 1196054791 /nfs/dbraw/zinc/05/47/91/1196054791.db2.gz MFJNACDBQDPQSP-UHFFFAOYSA-N 0 3 390.484 0.878 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000522188518 1196057744 /nfs/dbraw/zinc/05/77/44/1196057744.db2.gz CUUTWGOHTFGCFX-CYBMUJFWSA-N 0 3 397.545 0.980 20 0 GCADHN O=C(CN[C@@H](C1CC1)[C@@]1(CO)CCCO1)NCCCN1CCCCCC1=O ZINC000550502825 1196060922 /nfs/dbraw/zinc/06/09/22/1196060922.db2.gz SYDLHDAGTRDSTF-PMACEKPBSA-N 0 3 381.517 0.805 20 0 GCADHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000522290173 1196072897 /nfs/dbraw/zinc/07/28/97/1196072897.db2.gz NUTZTRRYJWBTIW-CQSZACIVSA-N 0 3 379.486 0.334 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCCCc2cn[nH]c2C)CC1 ZINC000522310531 1196075985 /nfs/dbraw/zinc/07/59/85/1196075985.db2.gz YZKYCSIYJKHHMO-MRXNPFEDSA-N 0 3 394.520 0.519 20 0 GCADHN C[C@@H](C(=O)N(C)CC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1)n1cccn1 ZINC000443674935 1196088539 /nfs/dbraw/zinc/08/85/39/1196088539.db2.gz NOBXFSBJTPVUHJ-BBWFWOEESA-N 0 3 379.505 0.908 20 0 GCADHN Cc1cccc(O[C@@H](C)C(=O)N2CCN(CCC(=O)N3CCNCC3)CC2)c1 ZINC000262228170 1196091546 /nfs/dbraw/zinc/09/15/46/1196091546.db2.gz VCMQCMHWDAOCCV-SFHVURJKSA-N 0 3 388.512 0.728 20 0 GCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCc1nnc2n1CCCCC2 ZINC000550579616 1196092838 /nfs/dbraw/zinc/09/28/38/1196092838.db2.gz NVILOCHKSYEBJV-JKSUJKDBSA-N 0 3 390.532 0.900 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)CC1=O ZINC000114178948 1196095898 /nfs/dbraw/zinc/09/58/98/1196095898.db2.gz JJMWCMYERBJYKD-WMZOPIPTSA-N 0 3 386.496 0.403 20 0 GCADHN CN1CCN([C@@H](CNC(=O)C2CN([C@H]3CCOC3)C2)c2cccs2)CC1 ZINC000895468851 1196097159 /nfs/dbraw/zinc/09/71/59/1196097159.db2.gz WIJMIRPFBIODJL-IRXDYDNUSA-N 0 3 378.542 0.874 20 0 GCADHN CC(C)(C)n1ncc2c1nc(NCCCCN1CCN(CCO)CC1)[nH]c2=O ZINC000114450767 1196099397 /nfs/dbraw/zinc/09/93/97/1196099397.db2.gz HIGNRYNJHWJZMD-UHFFFAOYSA-N 0 3 391.520 0.677 20 0 GCADHN CCCc1cc(=O)n2nc(NCCCCN3CCN(CCO)CC3)sc2n1 ZINC000114450811 1196099440 /nfs/dbraw/zinc/09/94/40/1196099440.db2.gz ZMFSGTXCMLTIFH-UHFFFAOYSA-N 0 3 394.545 0.906 20 0 GCADHN C[C@H]1Oc2ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc2NC1=O ZINC000665394950 1196099762 /nfs/dbraw/zinc/09/97/62/1196099762.db2.gz XYMPKMALOFKMLF-GFCCVEGCSA-N 0 3 377.445 0.890 20 0 GCADHN CNS(=O)(=O)c1ccc(N2CCN(CC(C)(C)N3CCOCC3)CC2)cc1 ZINC000895560632 1196101932 /nfs/dbraw/zinc/10/19/32/1196101932.db2.gz GXFSTDTYBJSPRR-UHFFFAOYSA-N 0 3 396.557 0.828 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@]2(CCOC2)O1 ZINC000474297175 1196107358 /nfs/dbraw/zinc/10/73/58/1196107358.db2.gz LALKOXKYMNPBKZ-JTDSTZFVSA-N 0 3 382.505 0.519 20 0 GCADHN CCOC(=O)c1nn(C)cc1CN[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000895684504 1196108483 /nfs/dbraw/zinc/10/84/83/1196108483.db2.gz DBOIPMRJWZJCQH-QGZVFWFLSA-N 0 3 379.505 0.483 20 0 GCADHN CO[C@]1(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCS(=O)(=O)C1 ZINC000895740338 1196110342 /nfs/dbraw/zinc/11/03/42/1196110342.db2.gz RLBFGTOZDNQSIT-LJQANCHMSA-N 0 3 395.525 0.254 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1Cc1ccccc1 ZINC000653425887 1196110456 /nfs/dbraw/zinc/11/04/56/1196110456.db2.gz GELUEBFDXFUMDP-AHRSYUTCSA-N 0 3 384.524 0.971 20 0 GCADHN CCN(CC)S(=O)(=O)CCNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000474358073 1196110949 /nfs/dbraw/zinc/11/09/49/1196110949.db2.gz AWRHKAHXGWGYFU-UHFFFAOYSA-N 0 3 399.517 0.593 20 0 GCADHN CN(C)c1nc(C(F)(F)F)ccc1CNC[C@]12COCCN1C(=O)COC2 ZINC000895837822 1196114108 /nfs/dbraw/zinc/11/41/08/1196114108.db2.gz OWKLVZGJTJZLNE-MRXNPFEDSA-N 0 3 388.390 0.884 20 0 GCADHN O=C(OCc1ccccc1)N1CC(NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000895836456 1196114661 /nfs/dbraw/zinc/11/46/61/1196114661.db2.gz CXAUKAPJLRCZLU-IBGZPJMESA-N 0 3 375.425 0.225 20 0 GCADHN CN(OCC(F)(F)F)C(=O)CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000895930956 1196118782 /nfs/dbraw/zinc/11/87/82/1196118782.db2.gz RQXDGWJBUKKWSJ-NWDGAFQWSA-N 0 3 382.383 0.179 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000280864689 1196120055 /nfs/dbraw/zinc/12/00/55/1196120055.db2.gz AEQGCOYTCWBKPL-CYBMUJFWSA-N 0 3 386.493 0.477 20 0 GCADHN CCCNC(=O)[C@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000522442156 1196121681 /nfs/dbraw/zinc/12/16/81/1196121681.db2.gz CVWGDBORECEKBW-DLBZAZTESA-N 0 3 395.548 0.877 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCNC(=O)CC1CCCC1 ZINC000522443813 1196122396 /nfs/dbraw/zinc/12/23/96/1196122396.db2.gz UIRPDTOUGPGQCA-QGZVFWFLSA-N 0 3 395.548 0.925 20 0 GCADHN CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001087969951 1196140197 /nfs/dbraw/zinc/14/01/97/1196140197.db2.gz WVZQNVYNUAGWOE-YLAKUSLOSA-N 0 3 391.512 0.977 20 0 GCADHN CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]2C1 ZINC001087969203 1196140293 /nfs/dbraw/zinc/14/02/93/1196140293.db2.gz HWOIAUMBFKNSMG-CVYDXHPNSA-N 0 3 392.500 0.380 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)c3cnn(C[C@H](O)CO)c3)c(C)c2)CC1 ZINC000665444755 1196144789 /nfs/dbraw/zinc/14/47/89/1196144789.db2.gz WYIGQTTXQLGOCF-SFHVURJKSA-N 0 3 387.484 0.939 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)CCN2C1=O ZINC000563898925 1196148417 /nfs/dbraw/zinc/14/84/17/1196148417.db2.gz NVEIPQBCRGXUKD-YRGRVCCFSA-N 0 3 376.844 0.463 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(Cl)c1 ZINC000563899258 1196149967 /nfs/dbraw/zinc/14/99/67/1196149967.db2.gz RUTQJQUNZPDVAG-WCQYABFASA-N 0 3 393.831 0.007 20 0 GCADHN CCN1CCN(CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000041442736 1196150308 /nfs/dbraw/zinc/15/03/08/1196150308.db2.gz DHFSRWFHPABBPY-UHFFFAOYSA-N 0 3 376.457 0.289 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(Cl)c1 ZINC000563899257 1196150317 /nfs/dbraw/zinc/15/03/17/1196150317.db2.gz RUTQJQUNZPDVAG-DGCLKSJQSA-N 0 3 393.831 0.007 20 0 GCADHN CC(C)(C)N1CC[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000896506437 1196151721 /nfs/dbraw/zinc/15/17/21/1196151721.db2.gz ODXLUCXTWIVKRI-INIZCTEOSA-N 0 3 388.516 0.835 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000474818014 1196152573 /nfs/dbraw/zinc/15/25/73/1196152573.db2.gz RBPFBLKFXLJIEV-LJQANCHMSA-N 0 3 379.505 0.239 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000474820586 1196153245 /nfs/dbraw/zinc/15/32/45/1196153245.db2.gz HGTPAXGOLFJUQY-CYBMUJFWSA-N 0 3 378.439 0.930 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000329030529 1196157560 /nfs/dbraw/zinc/15/75/60/1196157560.db2.gz PMUNBZRTFKCBBX-DLBZAZTESA-N 0 3 395.525 0.903 20 0 GCADHN CO[C@H]1C[C@@H](CN(C)CC(=O)N2CCN(C(=O)c3cccs3)CC2)N(C)C1 ZINC000329063545 1196160467 /nfs/dbraw/zinc/16/04/67/1196160467.db2.gz ZVXHIKMRTKGOKI-HOTGVXAUSA-N 0 3 394.541 0.683 20 0 GCADHN O=C([C@H]1CN2CCN1CCC2)N1CCOC[C@H]1c1ncnn1-c1ccccc1 ZINC000329104629 1196163994 /nfs/dbraw/zinc/16/39/94/1196163994.db2.gz GSTHZTKSJAANSL-MSOLQXFVSA-N 0 3 382.468 0.557 20 0 GCADHN CS(=O)(=O)C1CCC(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000896562001 1196164360 /nfs/dbraw/zinc/16/43/60/1196164360.db2.gz RWXHVAAUHCNNON-BHUNQDJPSA-N 0 3 387.546 0.830 20 0 GCADHN C[C@H](NC(=O)CNC(=O)c1cnc2ccccc2c1O)[C@@H]1CN(C)CCN1C ZINC000896573023 1196167781 /nfs/dbraw/zinc/16/77/81/1196167781.db2.gz WLQXYLZNCBUGMU-GUYCJALGSA-N 0 3 385.468 0.008 20 0 GCADHN C[C@@]1(n2cc(CN3CCN(C[C@H]4CCOC4)CC3)cn2)CCS(=O)(=O)C1 ZINC000329183179 1196173404 /nfs/dbraw/zinc/17/34/04/1196173404.db2.gz OTRHLCUVQCBAPQ-SJLPKXTDSA-N 0 3 382.530 0.571 20 0 GCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000896600736 1196179342 /nfs/dbraw/zinc/17/93/42/1196179342.db2.gz XVDXOTXMESFWRS-RYUDHWBXSA-N 0 3 389.378 0.889 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000329249468 1196179958 /nfs/dbraw/zinc/17/99/58/1196179958.db2.gz ASMMBGJXBUDHTA-MSOLQXFVSA-N 0 3 378.517 0.395 20 0 GCADHN CN(C(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)[C@H]1CCCN(C)C1 ZINC000896598199 1196180955 /nfs/dbraw/zinc/18/09/55/1196180955.db2.gz FHGBMOCGFOYIKJ-NSHDSACASA-N 0 3 377.367 0.747 20 0 GCADHN CCN1CCN(CCCNC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000474877704 1196185425 /nfs/dbraw/zinc/18/54/25/1196185425.db2.gz NEGNWZXVIWWWJV-UHFFFAOYSA-N 0 3 396.557 0.623 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 ZINC000329379111 1196190350 /nfs/dbraw/zinc/19/03/50/1196190350.db2.gz MUNHEUMIJGJPCL-UONOGXRCSA-N 0 3 392.422 0.015 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@H]2C1 ZINC000329461375 1196198513 /nfs/dbraw/zinc/19/85/13/1196198513.db2.gz SQAHGEBIQMUTQR-SQNIBIBYSA-N 0 3 378.517 0.252 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CO1 ZINC000896709322 1196199864 /nfs/dbraw/zinc/19/98/64/1196199864.db2.gz BOLREQCEHYUQHQ-RBSFLKMASA-N 0 3 384.477 0.778 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000896761415 1196204227 /nfs/dbraw/zinc/20/42/27/1196204227.db2.gz NIJLQSMJKWYWGY-CQSZACIVSA-N 0 3 387.406 0.753 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000665469413 1196205709 /nfs/dbraw/zinc/20/57/09/1196205709.db2.gz DDHSSUTWJQJEDA-UHFFFAOYSA-N 0 3 393.488 0.685 20 0 GCADHN CC[C@H]1CCCN1C(=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(CC)CC)C2 ZINC001719897229 1196214107 /nfs/dbraw/zinc/21/41/07/1196214107.db2.gz CDRYHKIONMDXSP-HZMVEIRTSA-N 0 3 378.517 0.977 20 0 GCADHN CC(C)c1nc(CN2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@@H]3C2)n[nH]1 ZINC001088012220 1196217514 /nfs/dbraw/zinc/21/75/14/1196217514.db2.gz YQXFCQXUBHMNLL-WCXIOVBPSA-N 0 3 390.532 0.928 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C3CC3)n2C[C@H]2CCOC2)CC1 ZINC000329697592 1196223007 /nfs/dbraw/zinc/22/30/07/1196223007.db2.gz CIXWEGRWLNUAMW-NVXWUHKLSA-N 0 3 388.516 0.935 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCCN2C(=O)CNC(=O)c2cccs2)C1=O ZINC001271176430 1196224637 /nfs/dbraw/zinc/22/46/37/1196224637.db2.gz FJDMRGVZHFNTNF-SFHVURJKSA-N 0 3 378.498 0.633 20 0 GCADHN CN1CCN(CC2(C)CCN(S(=O)(=O)N3CCOC(C)(C)C3)CC2)CC1 ZINC000329795847 1196231844 /nfs/dbraw/zinc/23/18/44/1196231844.db2.gz WPXZVBUSZZVNDY-UHFFFAOYSA-N 0 3 388.578 0.692 20 0 GCADHN O=C(N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1)[C@]12CCC[C@H]1OCC2 ZINC001088038516 1196233712 /nfs/dbraw/zinc/23/37/12/1196233712.db2.gz RFLPVNSBAKALAP-YZLZLFLDSA-N 0 3 376.501 0.751 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000329911373 1196238127 /nfs/dbraw/zinc/23/81/27/1196238127.db2.gz NUFIGUHSKABELU-YJYMSZOUSA-N 0 3 378.473 0.623 20 0 GCADHN Cc1cc(NC(=O)CN[C@@H]2CCC[C@@]2(C)CO)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000329952408 1196241842 /nfs/dbraw/zinc/24/18/42/1196241842.db2.gz NEBNALJLHVIBPJ-CPUCHLNUSA-N 0 3 384.502 0.630 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN(C2CCOCC2)C[C@H]1C)N1CCCS1(=O)=O ZINC000329955309 1196242194 /nfs/dbraw/zinc/24/21/94/1196242194.db2.gz OHRBCYJWBUVFHY-NVXWUHKLSA-N 0 3 387.546 0.758 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000330013609 1196246174 /nfs/dbraw/zinc/24/61/74/1196246174.db2.gz MGWRHIXVQJYMER-VCBZYWHSSA-N 0 3 392.500 0.892 20 0 GCADHN Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330015786 1196246595 /nfs/dbraw/zinc/24/65/95/1196246595.db2.gz ONVFETIQSNVNKB-MRXNPFEDSA-N 0 3 399.499 0.601 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCN1C(=O)CN(C)C1CCC1 ZINC000984942199 1196247494 /nfs/dbraw/zinc/24/74/94/1196247494.db2.gz SLTSMKJHGFJQLJ-XLNGHYISSA-N 0 3 378.517 0.881 20 0 GCADHN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330081895 1196251227 /nfs/dbraw/zinc/25/12/27/1196251227.db2.gz ALHCZWCGWDZZPS-OCCSQVGLSA-N 0 3 393.517 0.254 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 ZINC000330132105 1196255404 /nfs/dbraw/zinc/25/54/04/1196255404.db2.gz FXROHJFKAYKRAM-SFHVURJKSA-N 0 3 392.525 0.528 20 0 GCADHN CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330132747 1196255475 /nfs/dbraw/zinc/25/54/75/1196255475.db2.gz QQFBFPTWAVTVSH-IRXDYDNUSA-N 0 3 378.517 0.789 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000330140076 1196255646 /nfs/dbraw/zinc/25/56/46/1196255646.db2.gz WRNIYAPVJFZTSW-LSDHHAIUSA-N 0 3 396.557 0.699 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000330200027 1196259510 /nfs/dbraw/zinc/25/95/10/1196259510.db2.gz WEATVQSBDRYDCY-USXIJHARSA-N 0 3 377.485 0.873 20 0 GCADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000330218637 1196260127 /nfs/dbraw/zinc/26/01/27/1196260127.db2.gz JNPOSNPYRNHIOS-KRWDZBQOSA-N 0 3 392.525 0.870 20 0 GCADHN CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C[C@H]1CCOC1 ZINC000330254021 1196261734 /nfs/dbraw/zinc/26/17/34/1196261734.db2.gz JEXOXPWIKDMMKT-OAHLLOKOSA-N 0 3 399.488 0.627 20 0 GCADHN CC1CCN(CCNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000281283194 1196286756 /nfs/dbraw/zinc/28/67/56/1196286756.db2.gz QGQBNMZYLRZJCS-UHFFFAOYSA-N 0 3 383.514 0.761 20 0 GCADHN CN(C)CCN1CC[C@]2(CCCN2C(=O)Cn2cc(Br)cn2)C1=O ZINC001271257891 1196288962 /nfs/dbraw/zinc/28/89/62/1196288962.db2.gz FENCLVNHDQVEMG-MRXNPFEDSA-N 0 3 398.305 0.801 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000487454668 1196291979 /nfs/dbraw/zinc/29/19/79/1196291979.db2.gz WTWJBTGYPGNHNW-ZMSDIMECSA-N 0 3 379.505 0.397 20 0 GCADHN CC(C)C[C@H](CNCC(=O)N1CCOCC1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001271279022 1196295802 /nfs/dbraw/zinc/29/58/02/1196295802.db2.gz VUYSKXKYHNEKKH-MJQMVNBJSA-N 0 3 381.517 0.781 20 0 GCADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281516757 1196301098 /nfs/dbraw/zinc/30/10/98/1196301098.db2.gz VGXLAWKQBUDLCD-QMIVOQANSA-N 0 3 392.500 0.499 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(C)CC[C@@H]2C)c1 ZINC000522768334 1196307120 /nfs/dbraw/zinc/30/71/20/1196307120.db2.gz UHSGQSDFNVLOME-HNNXBMFYSA-N 0 3 398.529 0.847 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000522771138 1196307702 /nfs/dbraw/zinc/30/77/02/1196307702.db2.gz HPHJSTMAZVQPFJ-UHFFFAOYSA-N 0 3 382.486 0.478 20 0 GCADHN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N(C)CCN(C)C ZINC000281561101 1196309297 /nfs/dbraw/zinc/30/92/97/1196309297.db2.gz WNWUAROLANTWGH-INIZCTEOSA-N 0 3 376.457 0.563 20 0 GCADHN CN1CCN(CCNC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1(C)C ZINC000281664000 1196319934 /nfs/dbraw/zinc/31/99/34/1196319934.db2.gz CNAGVECBNKBKFE-JKSUJKDBSA-N 0 3 392.525 0.833 20 0 GCADHN CN(C)C(=O)c1ccc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281698515 1196323954 /nfs/dbraw/zinc/32/39/54/1196323954.db2.gz ACQHKFMFPDFCTH-UHFFFAOYSA-N 0 3 382.530 0.693 20 0 GCADHN CN1CCN(CCNC(=O)CNC(=O)N2CCc3ccccc3C2)CC1(C)C ZINC000281754202 1196329057 /nfs/dbraw/zinc/32/90/57/1196329057.db2.gz KVUBTTPEBWQGOK-UHFFFAOYSA-N 0 3 387.528 0.897 20 0 GCADHN CN1CCN(CCNC(=O)NCCNC(=O)c2ccc(F)cc2)CC1(C)C ZINC000281794786 1196332376 /nfs/dbraw/zinc/33/23/76/1196332376.db2.gz KBWIZGWDWSKHMF-UHFFFAOYSA-N 0 3 379.480 0.881 20 0 GCADHN CN1CCN(CCNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1(C)C ZINC000281797428 1196332659 /nfs/dbraw/zinc/33/26/59/1196332659.db2.gz OPRNPVYSTRXLMI-HXUWFJFHSA-N 0 3 387.484 0.497 20 0 GCADHN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281800956 1196335730 /nfs/dbraw/zinc/33/57/30/1196335730.db2.gz PDHNHFWDUMGCID-UHFFFAOYSA-N 0 3 386.518 0.594 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)CN(C)C1CCC1 ZINC000985055368 1196336192 /nfs/dbraw/zinc/33/61/92/1196336192.db2.gz CXDJUZWGWYMHOM-BZZMCLGOSA-N 0 3 380.533 0.686 20 0 GCADHN CN1CCN(CCNC(=O)[C@@H]2COCC(=O)N2Cc2ccccc2)CC1(C)C ZINC000281827148 1196338720 /nfs/dbraw/zinc/33/87/20/1196338720.db2.gz RPZIIUXNVZSXDA-SFHVURJKSA-N 0 3 388.512 0.556 20 0 GCADHN COC(=O)c1ccc(F)c(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281892187 1196344403 /nfs/dbraw/zinc/34/44/03/1196344403.db2.gz IGOWMWYUHQHPCJ-UHFFFAOYSA-N 0 3 394.447 0.693 20 0 GCADHN CN1CCN(CCNC(=O)NCC(=O)N2CCc3ccccc3C2)CC1(C)C ZINC000281910928 1196345589 /nfs/dbraw/zinc/34/55/89/1196345589.db2.gz REIIOAZPLAXLPS-UHFFFAOYSA-N 0 3 387.528 0.897 20 0 GCADHN Cc1ccc(NC(=O)NCCCCN2CCN(C)CC2)cc1S(N)(=O)=O ZINC000522826635 1196347251 /nfs/dbraw/zinc/34/72/51/1196347251.db2.gz DSZREZHIJAACDA-UHFFFAOYSA-N 0 3 383.518 0.792 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)CC1(C)C ZINC000281962725 1196353135 /nfs/dbraw/zinc/35/31/35/1196353135.db2.gz LMFYYMKSPUZKFU-UHFFFAOYSA-N 0 3 384.484 0.953 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1(C)C ZINC000444158248 1196353434 /nfs/dbraw/zinc/35/34/34/1196353434.db2.gz SWKAKXGMELEXJT-ORAYPTAESA-N 0 3 380.489 0.890 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1(C)C ZINC000444158246 1196353574 /nfs/dbraw/zinc/35/35/74/1196353574.db2.gz SWKAKXGMELEXJT-DJJJIMSYSA-N 0 3 380.489 0.890 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)C1(C)C ZINC000444167407 1196354674 /nfs/dbraw/zinc/35/46/74/1196354674.db2.gz MTCJYOYBJSQOKK-KXBFYZLASA-N 0 3 392.504 0.128 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1(C)C ZINC000444170411 1196355166 /nfs/dbraw/zinc/35/51/66/1196355166.db2.gz UGIBKWSKXGRBCW-OXQOHEQNSA-N 0 3 380.533 0.579 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)Cc3ccc(Cl)nc3)C2)OCC1=O ZINC001271412729 1196356513 /nfs/dbraw/zinc/35/65/13/1196356513.db2.gz FNRXFVORPHBNHC-SFHVURJKSA-N 0 3 380.876 0.669 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1(C)C ZINC000444175076 1196356808 /nfs/dbraw/zinc/35/68/08/1196356808.db2.gz YXRRFDKATVDATP-UWJYYQICSA-N 0 3 394.560 0.922 20 0 GCADHN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(CC2CCOCC2)CC1 ZINC000522887748 1196359208 /nfs/dbraw/zinc/35/92/08/1196359208.db2.gz JDTLBLSXPUPATN-IRXDYDNUSA-N 0 3 377.485 0.732 20 0 GCADHN COc1ccccc1OCCN1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 ZINC001088109237 1196362311 /nfs/dbraw/zinc/36/23/11/1196362311.db2.gz STBBVISTSUWTBK-TWMKSMIVSA-N 0 3 387.480 0.976 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCCN2CCN(c3ncccn3)CC2)C1(C)C ZINC000444274105 1196370034 /nfs/dbraw/zinc/37/00/34/1196370034.db2.gz XRSHWWUBMNVRBB-DNVCBOLYSA-N 0 3 376.505 0.247 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)[C@@H]3CCOC3)cc2)CC1 ZINC000522962015 1196370695 /nfs/dbraw/zinc/37/06/95/1196370695.db2.gz RVCPDKMARJKLSB-RTBURBONSA-N 0 3 376.501 0.631 20 0 GCADHN C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCCN1C ZINC000444306622 1196372103 /nfs/dbraw/zinc/37/21/03/1196372103.db2.gz WZSBNDUWXBURGQ-YVVXQTMVSA-N 0 3 399.488 0.549 20 0 GCADHN Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000103204432 1196374077 /nfs/dbraw/zinc/37/40/77/1196374077.db2.gz VVWZYACUEDFFRV-KRWDZBQOSA-N 0 3 386.496 0.880 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccco1 ZINC000103297802 1196374615 /nfs/dbraw/zinc/37/46/15/1196374615.db2.gz CBNUTQBXIQLTOC-MRXNPFEDSA-N 0 3 377.489 0.832 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000103449091 1196376170 /nfs/dbraw/zinc/37/61/70/1196376170.db2.gz SXTQBACQSUMQAP-ZDUSSCGKSA-N 0 3 392.422 0.410 20 0 GCADHN Cc1cc(CN2CCN(C(=O)NCCCCN3CCN(C)CC3)CC2)on1 ZINC000103509935 1196376968 /nfs/dbraw/zinc/37/69/68/1196376968.db2.gz IHVSHAYSWPPKAG-UHFFFAOYSA-N 0 3 378.521 0.838 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 ZINC000532350730 1196378032 /nfs/dbraw/zinc/37/80/32/1196378032.db2.gz HRPAUOJMDYUQBR-LBPRGKRZSA-N 0 3 385.461 0.767 20 0 GCADHN COc1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1-n1nnnc1C ZINC000729568525 1196381226 /nfs/dbraw/zinc/38/12/26/1196381226.db2.gz SSMCZKKLMHNTAA-GJZGRUSLSA-N 0 3 387.444 0.964 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)CC1 ZINC000897023121 1196384039 /nfs/dbraw/zinc/38/40/39/1196384039.db2.gz SXTNNTBMJNQUTE-JKSUJKDBSA-N 0 3 378.517 0.789 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)CC1 ZINC000897023117 1196384195 /nfs/dbraw/zinc/38/41/95/1196384195.db2.gz SXTNNTBMJNQUTE-CVEARBPZSA-N 0 3 378.517 0.789 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)CC1 ZINC000897023120 1196384358 /nfs/dbraw/zinc/38/43/58/1196384358.db2.gz SXTNNTBMJNQUTE-HZPDHXFCSA-N 0 3 378.517 0.789 20 0 GCADHN CCN(CCOCCNC(=O)[C@H]1CCCCN1C)C(=O)[C@@H]1CCCCN1C ZINC000665594323 1196385039 /nfs/dbraw/zinc/38/50/39/1196385039.db2.gz YEYYSYBQABDWRD-MSOLQXFVSA-N 0 3 382.549 0.936 20 0 GCADHN CN(C)C(=O)COc1ccccc1CN1CCC2(CC1)C[C@H](O)CNC2=O ZINC000897040721 1196386164 /nfs/dbraw/zinc/38/61/64/1196386164.db2.gz JLVHNMQRQGGLIY-INIZCTEOSA-N 0 3 375.469 0.617 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(CC2CCOCC2)CC1 ZINC000523009814 1196391008 /nfs/dbraw/zinc/39/10/08/1196391008.db2.gz KZZBSIROIJTDPG-SFHVURJKSA-N 0 3 381.517 0.975 20 0 GCADHN C[C@H](NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CN(C)CCO1 ZINC000655709913 1196397271 /nfs/dbraw/zinc/39/72/71/1196397271.db2.gz PENPFDGDAGEKCG-KFKAGJAMSA-N 0 3 376.501 0.424 20 0 GCADHN COc1ccc(F)cc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000645519687 1196407859 /nfs/dbraw/zinc/40/78/59/1196407859.db2.gz SVCJRTFPASWIET-UHFFFAOYSA-N 0 3 385.461 0.763 20 0 GCADHN CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)C2 ZINC001719902466 1196415353 /nfs/dbraw/zinc/41/53/53/1196415353.db2.gz GZPMPGRAOJIXNR-YJNKXOJESA-N 0 3 378.473 0.114 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000301202339 1196423803 /nfs/dbraw/zinc/42/38/03/1196423803.db2.gz PVYRPTKKCPUZMR-UHFFFAOYSA-N 0 3 383.378 0.888 20 0 GCADHN CNS(=O)(=O)c1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)nc1 ZINC000301552948 1196430086 /nfs/dbraw/zinc/43/00/86/1196430086.db2.gz VXETVSSOGAIPBE-MRXNPFEDSA-N 0 3 376.482 0.821 20 0 GCADHN CNS(=O)(=O)c1ccc(N2CCN(C(=O)CN3CCCC3)CC2)c(F)c1 ZINC000301923647 1196437255 /nfs/dbraw/zinc/43/72/55/1196437255.db2.gz GKQAQBGCRLSBMZ-UHFFFAOYSA-N 0 3 384.477 0.478 20 0 GCADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ncccc1S(N)(=O)=O ZINC000302383152 1196442096 /nfs/dbraw/zinc/44/20/96/1196442096.db2.gz AEKGUEFRFPPINS-SFHVURJKSA-N 0 3 376.482 0.802 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2cc(N3CCCC[C@H]3CO)ncn2)CC1 ZINC000302878260 1196448760 /nfs/dbraw/zinc/44/87/60/1196448760.db2.gz GJFPLWPHMAVKGI-KRWDZBQOSA-N 0 3 388.516 0.572 20 0 GCADHN CC(C)CN1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000302907040 1196449420 /nfs/dbraw/zinc/44/94/20/1196449420.db2.gz BRCRXEMHWVWXCU-OAHLLOKOSA-N 0 3 394.541 0.885 20 0 GCADHN CC(C)CN1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000302907039 1196449480 /nfs/dbraw/zinc/44/94/80/1196449480.db2.gz BRCRXEMHWVWXCU-HNNXBMFYSA-N 0 3 394.541 0.885 20 0 GCADHN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103216315 1196451097 /nfs/dbraw/zinc/45/10/97/1196451097.db2.gz HZGVFTQTSZNIRX-KRWDZBQOSA-N 0 3 378.517 0.934 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000523066971 1196453675 /nfs/dbraw/zinc/45/36/75/1196453675.db2.gz UMHQESIKAGQXHA-UHFFFAOYSA-N 0 3 376.457 0.540 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1S(N)(=O)=O ZINC000523077223 1196456568 /nfs/dbraw/zinc/45/65/68/1196456568.db2.gz JXOQKHLUKBTTHT-UHFFFAOYSA-N 0 3 396.513 0.914 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN2CCN(CC3CCOCC3)CC2)CC1 ZINC000609895676 1196458648 /nfs/dbraw/zinc/45/86/48/1196458648.db2.gz VYOCWCIQNUNXLU-UHFFFAOYSA-N 0 3 381.517 0.832 20 0 GCADHN CCN1CCN([C@@H]2CCN(CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000107368247 1196474294 /nfs/dbraw/zinc/47/42/94/1196474294.db2.gz VCTCYENGMSMGQB-ZWKOTPCHSA-N 0 3 379.549 0.215 20 0 GCADHN C[S@@](=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000475603551 1196493209 /nfs/dbraw/zinc/49/32/09/1196493209.db2.gz NLARQFCPOLRERU-AREMUKBSSA-N 0 3 382.530 0.936 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000523210078 1196502239 /nfs/dbraw/zinc/50/22/39/1196502239.db2.gz KKZFCMHCCKBYLD-CVEARBPZSA-N 0 3 379.505 0.382 20 0 GCADHN CC(C)[C@@H](CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)N1CCOCC1 ZINC000523208164 1196502521 /nfs/dbraw/zinc/50/25/21/1196502521.db2.gz NWIOXLDSCWFYHA-QZTJIDSGSA-N 0 3 397.564 0.585 20 0 GCADHN CC(C)[C@@H](CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)N1CCOCC1 ZINC000523208166 1196502604 /nfs/dbraw/zinc/50/26/04/1196502604.db2.gz NWIOXLDSCWFYHA-ZWKOTPCHSA-N 0 3 397.564 0.585 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H](O)COc1ccccc1 ZINC000523209624 1196503244 /nfs/dbraw/zinc/50/32/44/1196503244.db2.gz QVGIQTKCZSBYEP-AEFFLSMTSA-N 0 3 392.500 0.668 20 0 GCADHN COCCCn1ccc(NC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)n1 ZINC000444568789 1196504564 /nfs/dbraw/zinc/50/45/64/1196504564.db2.gz JGYUVNWFYKIEMR-UHFFFAOYSA-N 0 3 395.504 0.864 20 0 GCADHN C[C@H]1CN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CCN1CC(C)(C)O ZINC000444760033 1196517942 /nfs/dbraw/zinc/51/79/42/1196517942.db2.gz JTRPPUKETFREHD-RDJZCZTQSA-N 0 3 390.484 0.641 20 0 GCADHN C[C@@H](NC(=O)[C@H](C)N(C)CC1(O)CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000444756950 1196519696 /nfs/dbraw/zinc/51/96/96/1196519696.db2.gz SIRFQIJUYOOSIP-KGLIPLIRSA-N 0 3 399.513 0.373 20 0 GCADHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N[C@@H](CO)CN1CCCCC1)C2=O ZINC000665886544 1196520410 /nfs/dbraw/zinc/52/04/10/1196520410.db2.gz HCTDAJCWNKWZLD-FOIQADDNSA-N 0 3 394.516 0.840 20 0 GCADHN COc1ccccc1[C@@H](CNC(=O)NCCCN1CCC[C@H]1C(N)=O)N(C)C ZINC000523452321 1196524573 /nfs/dbraw/zinc/52/45/73/1196524573.db2.gz JPHDCPUBTVUXCA-DLBZAZTESA-N 0 3 391.516 0.937 20 0 GCADHN CC[C@H](COC)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000523459913 1196526330 /nfs/dbraw/zinc/52/63/30/1196526330.db2.gz BNCTWKZTWPXAKB-MRXNPFEDSA-N 0 3 390.484 0.864 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000523660836 1196544325 /nfs/dbraw/zinc/54/43/25/1196544325.db2.gz NVHKGUNIEXBNAS-QZWWFDLISA-N 0 3 378.517 0.692 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F)CN1CCN(C)CC1 ZINC000445110564 1196549652 /nfs/dbraw/zinc/54/96/52/1196549652.db2.gz XFXPTYOGZFYKTH-NSHDSACASA-N 0 3 390.410 0.377 20 0 GCADHN CCN1CC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000897340505 1196576401 /nfs/dbraw/zinc/57/64/01/1196576401.db2.gz SCRISSFBOYWNCM-HOTGVXAUSA-N 0 3 392.500 0.633 20 0 GCADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000445763778 1196590224 /nfs/dbraw/zinc/59/02/24/1196590224.db2.gz GKFRLBRUHIPEHU-KCPJHIHWSA-N 0 3 394.497 0.245 20 0 GCADHN COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000524410113 1196593064 /nfs/dbraw/zinc/59/30/64/1196593064.db2.gz OYDSZIIQBBIEIB-MRXNPFEDSA-N 0 3 397.497 0.480 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000524473626 1196598509 /nfs/dbraw/zinc/59/85/09/1196598509.db2.gz XZULUZOJQKNDII-IXDOHACOSA-N 0 3 395.548 0.875 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000524473624 1196598541 /nfs/dbraw/zinc/59/85/41/1196598541.db2.gz XZULUZOJQKNDII-BRWVUGGUSA-N 0 3 395.548 0.875 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000445927078 1196599056 /nfs/dbraw/zinc/59/90/56/1196599056.db2.gz WCRXSABZNFZZEK-UHFFFAOYSA-N 0 3 395.485 0.116 20 0 GCADHN CCOC(=O)c1c(NC(=O)C(=O)N(C)CCN(C)C)cc(OC)cc1OC ZINC000445919326 1196599137 /nfs/dbraw/zinc/59/91/37/1196599137.db2.gz NIFUALIKVKOXRU-UHFFFAOYSA-N 0 3 381.429 0.839 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000445929749 1196600819 /nfs/dbraw/zinc/60/08/19/1196600819.db2.gz JHMSYMOTLVQRCM-UHFFFAOYSA-N 0 3 390.484 0.896 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 ZINC000524588034 1196607015 /nfs/dbraw/zinc/60/70/15/1196607015.db2.gz CUVDIGXRVWBZLJ-DNVCBOLYSA-N 0 3 389.456 0.261 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000446062798 1196609438 /nfs/dbraw/zinc/60/94/38/1196609438.db2.gz OXNOBZSKZPWRBB-CABCVRRESA-N 0 3 393.513 0.724 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)C(=O)NCCN1CCNC1=O)c1ccccc1 ZINC000897346699 1196613236 /nfs/dbraw/zinc/61/32/36/1196613236.db2.gz YPZCGHXECKYYOA-INIZCTEOSA-N 0 3 375.473 0.327 20 0 GCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ccccc1CN(C)C ZINC000524794715 1196626410 /nfs/dbraw/zinc/62/64/10/1196626410.db2.gz NMCQGCIEYXATGK-UHFFFAOYSA-N 0 3 398.529 0.199 20 0 GCADHN CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000524804993 1196628495 /nfs/dbraw/zinc/62/84/95/1196628495.db2.gz OLHSERQLCKGZRX-HNNXBMFYSA-N 0 3 389.500 0.973 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccnc1-n1cccn1)CN1CCN(C)CC1 ZINC000524806524 1196628683 /nfs/dbraw/zinc/62/86/83/1196628683.db2.gz QILBNIQWUFZJCT-OAHLLOKOSA-N 0 3 385.472 0.206 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000524814751 1196628985 /nfs/dbraw/zinc/62/89/85/1196628985.db2.gz SDORFTKWEQQPNP-SFHVURJKSA-N 0 3 375.517 0.773 20 0 GCADHN Cn1c2ncc(NC(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)cc2c(=O)n(C)c1=O ZINC000446258591 1196629635 /nfs/dbraw/zinc/62/96/35/1196629635.db2.gz NJEXZQFAASSPRW-VLXJIEOASA-N 0 3 387.440 0.103 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000524816444 1196629877 /nfs/dbraw/zinc/62/98/77/1196629877.db2.gz PECXAYTUSYKPST-SOUVJXGZSA-N 0 3 390.550 0.009 20 0 GCADHN Cn1c2ncc(NC(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)cc2c(=O)n(C)c1=O ZINC000446258590 1196629914 /nfs/dbraw/zinc/62/99/14/1196629914.db2.gz NJEXZQFAASSPRW-QHRIQVFBSA-N 0 3 387.440 0.103 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000446279930 1196630343 /nfs/dbraw/zinc/63/03/43/1196630343.db2.gz GCZGTBKEFNPCLX-CDXJDZJCSA-N 0 3 392.544 0.676 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446265262 1196631125 /nfs/dbraw/zinc/63/11/25/1196631125.db2.gz DCRMQZGBOAWJIP-AUSJPIAWSA-N 0 3 399.499 0.544 20 0 GCADHN O=C(NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@H]1C[C@H](F)CN1 ZINC000446337623 1196635767 /nfs/dbraw/zinc/63/57/67/1196635767.db2.gz SKWXSPSNKINCBQ-DXCKQFNASA-N 0 3 377.416 0.634 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000446360284 1196636832 /nfs/dbraw/zinc/63/68/32/1196636832.db2.gz QRCQYSLPKMDBJA-CSODHUTKSA-N 0 3 392.544 0.579 20 0 GCADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446361919 1196637289 /nfs/dbraw/zinc/63/72/89/1196637289.db2.gz DIJAHUQZTHUMCG-KYFSNAEOSA-N 0 3 392.544 0.674 20 0 GCADHN Cc1cc(N2CCN(C(=O)[C@]3(N)[C@H]4CCCO[C@H]4C3(C)C)CC2)n2ncnc2n1 ZINC000446366941 1196638635 /nfs/dbraw/zinc/63/86/35/1196638635.db2.gz PEHOCPMOFVQWPR-YYFZDKIDSA-N 0 3 399.499 0.614 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000446377462 1196639270 /nfs/dbraw/zinc/63/92/70/1196639270.db2.gz RWTIBINZVZWJRL-VVFCZOMOSA-N 0 3 385.472 0.305 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1nnc2n1CCCCC2 ZINC000524933880 1196639330 /nfs/dbraw/zinc/63/93/30/1196639330.db2.gz DALHWDYILRGUMI-HNNXBMFYSA-N 0 3 391.520 0.746 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446371909 1196640196 /nfs/dbraw/zinc/64/01/96/1196640196.db2.gz HHJLRQUUVQGPEX-FRQCXROJSA-N 0 3 377.489 0.686 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2c(C)cccc2OC)CC1 ZINC000446542429 1196649283 /nfs/dbraw/zinc/64/92/83/1196649283.db2.gz WCOCDMQUGGFMGO-UHFFFAOYSA-N 0 3 390.484 0.955 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000446545531 1196649641 /nfs/dbraw/zinc/64/96/41/1196649641.db2.gz DGYCZBAUDRJQLD-LLVKDONJSA-N 0 3 391.394 0.947 20 0 GCADHN COc1cccc(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000446602376 1196652738 /nfs/dbraw/zinc/65/27/38/1196652738.db2.gz ARGXAZVFCOGERH-OAHLLOKOSA-N 0 3 388.468 0.707 20 0 GCADHN COc1cnccc1[C@H](C)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000446670613 1196656969 /nfs/dbraw/zinc/65/69/69/1196656969.db2.gz LXECWMXNHLXRIU-INIZCTEOSA-N 0 3 379.505 0.841 20 0 GCADHN COc1cnccc1[C@@H](C)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000446670614 1196656972 /nfs/dbraw/zinc/65/69/72/1196656972.db2.gz LXECWMXNHLXRIU-MRXNPFEDSA-N 0 3 379.505 0.841 20 0 GCADHN CCCCn1nccc1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000446717068 1196660599 /nfs/dbraw/zinc/66/05/99/1196660599.db2.gz PLSLYTNBRLJBOT-UHFFFAOYSA-N 0 3 392.504 0.634 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CCSC1 ZINC000446740668 1196662859 /nfs/dbraw/zinc/66/28/59/1196662859.db2.gz GLYDJWOKLMBYGT-SUMWQHHRSA-N 0 3 381.502 0.412 20 0 GCADHN CCN1CCN(CCC(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000525313583 1196668212 /nfs/dbraw/zinc/66/82/12/1196668212.db2.gz HTAAWRSXGFOXNQ-UHFFFAOYSA-N 0 3 394.541 0.888 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1)CN1CCN(C)CC1 ZINC000525319759 1196671450 /nfs/dbraw/zinc/67/14/50/1196671450.db2.gz MTGFRMWBAGLZHG-MRXNPFEDSA-N 0 3 399.499 0.265 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2)CN1CCN(C)CC1 ZINC000525322322 1196671946 /nfs/dbraw/zinc/67/19/46/1196671946.db2.gz JEFKHWQWIASVIS-CQSZACIVSA-N 0 3 387.484 0.510 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)CC1 ZINC000525323945 1196672661 /nfs/dbraw/zinc/67/26/61/1196672661.db2.gz VCICTRWJMLAUSY-UHFFFAOYSA-N 0 3 390.484 0.615 20 0 GCADHN COc1ccc([C@@H](CCn2cncn2)NC[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000446925530 1196682672 /nfs/dbraw/zinc/68/26/72/1196682672.db2.gz PQRNUNBQFCZEFN-DLBZAZTESA-N 0 3 380.470 0.821 20 0 GCADHN Cc1oc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000446922423 1196682844 /nfs/dbraw/zinc/68/28/44/1196682844.db2.gz YJDLMAIMCQEDMO-SFHVURJKSA-N 0 3 393.465 0.602 20 0 GCADHN CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(=O)NC1CCOCC1 ZINC001271870178 1196684120 /nfs/dbraw/zinc/68/41/20/1196684120.db2.gz XJJJISJOMUDPDP-JMVPUORKSA-N 0 3 379.501 0.435 20 0 GCADHN Cc1cc(CNC(=O)N(C)CCCN2CCN(C)CC2)ccc1S(N)(=O)=O ZINC000446989984 1196688533 /nfs/dbraw/zinc/68/85/33/1196688533.db2.gz OZEFTHLXZARENB-UHFFFAOYSA-N 0 3 397.545 0.421 20 0 GCADHN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1C ZINC000525688092 1196702478 /nfs/dbraw/zinc/70/24/78/1196702478.db2.gz VMULTVJBUGZSRJ-UHFFFAOYSA-N 0 3 383.518 0.449 20 0 GCADHN Cc1c(S(=O)(=O)N(CCN(C)C)CCN(C)C)cnn1-c1ccccn1 ZINC000525688340 1196702523 /nfs/dbraw/zinc/70/25/23/1196702523.db2.gz HWUGUVUDEUERCZ-UHFFFAOYSA-N 0 3 380.518 0.690 20 0 GCADHN COCCOc1ccc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)cn1 ZINC000525808573 1196711592 /nfs/dbraw/zinc/71/15/92/1196711592.db2.gz HOXDGKBGUKJGGD-INIZCTEOSA-N 0 3 379.505 0.790 20 0 GCADHN COCC[C@]1(NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000447382185 1196714216 /nfs/dbraw/zinc/71/42/16/1196714216.db2.gz IGOVJTLCNRFMCR-AEFFLSMTSA-N 0 3 388.530 0.730 20 0 GCADHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000447422299 1196719232 /nfs/dbraw/zinc/71/92/32/1196719232.db2.gz KRULOGJRAPCUCC-UHFFFAOYSA-N 0 3 382.486 0.511 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c2ccccc2O1 ZINC000525909969 1196724230 /nfs/dbraw/zinc/72/42/30/1196724230.db2.gz WEZQXXOWMDGQLH-DYVFJYSZSA-N 0 3 387.436 0.720 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCC[C@@]3(C)CO)cc21 ZINC000525899729 1196724963 /nfs/dbraw/zinc/72/49/63/1196724963.db2.gz QKTDVCXFDGFLJX-IBGZPJMESA-N 0 3 390.440 0.468 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](C)N2CCN(CC)CC2)C1 ZINC000526050374 1196735548 /nfs/dbraw/zinc/73/55/48/1196735548.db2.gz QISKKDNAHUFBTQ-JKSUJKDBSA-N 0 3 390.550 0.122 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000526854398 1196748131 /nfs/dbraw/zinc/74/81/31/1196748131.db2.gz IIJUSCVQKIPOCV-HIFRSBDPSA-N 0 3 379.457 0.694 20 0 GCADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000447793210 1196750324 /nfs/dbraw/zinc/75/03/24/1196750324.db2.gz DWLSWMOBYZOBIR-GJZGRUSLSA-N 0 3 391.534 0.532 20 0 GCADHN CC(=O)N1CCC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000526988121 1196754329 /nfs/dbraw/zinc/75/43/29/1196754329.db2.gz FPSPWPSWIWYGTK-QGZVFWFLSA-N 0 3 379.505 0.195 20 0 GCADHN C[C@H](N[C@H](CO)[C@H]1CCCO1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000447900881 1196759858 /nfs/dbraw/zinc/75/98/58/1196759858.db2.gz FHCRRHDTJFJIEG-PWIZWCRZSA-N 0 3 391.512 0.653 20 0 GCADHN C[C@H]1OCC[C@@]12CN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C[C@@H](C)O2 ZINC000447965895 1196762254 /nfs/dbraw/zinc/76/22/54/1196762254.db2.gz UZKOQEFTMJQZNN-WOCWXWTJSA-N 0 3 396.532 0.907 20 0 GCADHN Cc1c([C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCCC3)C[C@H]2C(N)=O)cnn1C ZINC000624788577 1196768653 /nfs/dbraw/zinc/76/86/53/1196768653.db2.gz WHCKSCLJMYBXQB-BPQIPLTHSA-N 0 3 388.516 0.956 20 0 GCADHN CN1CCN(CCCCNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000527138430 1196769504 /nfs/dbraw/zinc/76/95/04/1196769504.db2.gz HOFQYPAPYIAUTI-RBUKOAKNSA-N 0 3 392.544 0.571 20 0 GCADHN CCN1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000527224300 1196773536 /nfs/dbraw/zinc/77/35/36/1196773536.db2.gz BEFUSKRCKIIWPH-SJORKVTESA-N 0 3 377.537 0.681 20 0 GCADHN CCN1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C[C@H]1c1ncc[nH]1 ZINC000527224299 1196773570 /nfs/dbraw/zinc/77/35/70/1196773570.db2.gz BEFUSKRCKIIWPH-IRXDYDNUSA-N 0 3 377.537 0.681 20 0 GCADHN COCCNc1nc(NC[C@H]2CCCCO2)nc(NC[C@@H]2CCCCO2)n1 ZINC000448124790 1196776034 /nfs/dbraw/zinc/77/60/34/1196776034.db2.gz ISZPEQIJFVUMHX-GASCZTMLSA-N 0 3 380.493 0.158 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cc(NC(C)=O)ccc2OC)CC1 ZINC000527291917 1196778460 /nfs/dbraw/zinc/77/84/60/1196778460.db2.gz JFBIXJFMWBXSMB-AWEZNQCLSA-N 0 3 398.529 0.958 20 0 GCADHN CN(CCNC(=O)NCCNS(=O)(=O)c1cccnc1)Cc1ccccc1 ZINC000448198246 1196779887 /nfs/dbraw/zinc/77/98/87/1196779887.db2.gz IRVFHDSACBKZMZ-UHFFFAOYSA-N 0 3 391.497 0.791 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3OC)CC1 ZINC000448230772 1196782025 /nfs/dbraw/zinc/78/20/25/1196782025.db2.gz OYVBGMSMPQDWGH-KRWDZBQOSA-N 0 3 390.484 0.849 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(N3CCC3=O)c2)CC1 ZINC000448228240 1196782297 /nfs/dbraw/zinc/78/22/97/1196782297.db2.gz FKMYETLCRLZJNX-HNNXBMFYSA-N 0 3 387.484 0.504 20 0 GCADHN CO[C@H]1CCOc2c(NC(=O)C(=O)NCCCN3CCN(C)CC3)cccc21 ZINC000448244059 1196784771 /nfs/dbraw/zinc/78/47/71/1196784771.db2.gz XRCJIVNWRRHMLU-KRWDZBQOSA-N 0 3 390.484 0.849 20 0 GCADHN COc1ccc(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)c(Cl)c1 ZINC001271948326 1196793928 /nfs/dbraw/zinc/79/39/28/1196793928.db2.gz DFSIAOACDFPALS-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN CNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000116442637 1196810038 /nfs/dbraw/zinc/81/00/38/1196810038.db2.gz WMBSNLXUYDICRC-QGZVFWFLSA-N 0 3 376.476 0.928 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000527883332 1196822385 /nfs/dbraw/zinc/82/23/85/1196822385.db2.gz PEUYALBCVIXFDN-KRWDZBQOSA-N 0 3 379.505 0.383 20 0 GCADHN CCN1CCN(CCCNC(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000527947470 1196824965 /nfs/dbraw/zinc/82/49/65/1196824965.db2.gz UJWDFAYMYBFYRD-UHFFFAOYSA-N 0 3 388.512 0.916 20 0 GCADHN CC(=O)c1cn(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)nn1 ZINC000448686624 1196825425 /nfs/dbraw/zinc/82/54/25/1196825425.db2.gz KIOBSJDZNGKQAN-UHFFFAOYSA-N 0 3 384.484 0.805 20 0 GCADHN COCCn1cc(N2C[C@H](C(=O)N(CCN(C)C)CC(C)C)CC2=O)cn1 ZINC000448910239 1196840583 /nfs/dbraw/zinc/84/05/83/1196840583.db2.gz KVXIZEGRLDXFJS-MRXNPFEDSA-N 0 3 379.505 0.929 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)Cc3cncc(Cl)n3)C2)OCC1=O ZINC001271979425 1196843476 /nfs/dbraw/zinc/84/34/76/1196843476.db2.gz DSRYWWSBEHLVAM-QGZVFWFLSA-N 0 3 381.864 0.064 20 0 GCADHN O=C(CN[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)N1CCOCC1 ZINC001088387427 1196858234 /nfs/dbraw/zinc/85/82/34/1196858234.db2.gz RCMLDLFEKOFABI-MLHJIOFPSA-N 0 3 379.501 0.774 20 0 GCADHN COC(=O)Cn1cc(CNc2ccc3nc(CCN4CCOCC4)[nH]c3c2)nn1 ZINC000449221376 1196862433 /nfs/dbraw/zinc/86/24/33/1196862433.db2.gz KAFBZHIZHOZNNP-UHFFFAOYSA-N 0 3 399.455 0.814 20 0 GCADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000118872301 1196867953 /nfs/dbraw/zinc/86/79/53/1196867953.db2.gz QBMUZAMMMOKVOV-KRWDZBQOSA-N 0 3 392.544 0.833 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(=O)N2CCOCC2)cc1)CN1CCN(C)CC1 ZINC000528560138 1196868220 /nfs/dbraw/zinc/86/82/20/1196868220.db2.gz GHVMMPAPYIROED-QGZVFWFLSA-N 0 3 388.512 0.772 20 0 GCADHN O=S(=O)(c1ccccc1CN[C@@H]1CCCN(CCCO)C1)N1CCOCC1 ZINC000449396700 1196871096 /nfs/dbraw/zinc/87/10/96/1196871096.db2.gz MHVOHWIGUGOUNC-GOSISDBHSA-N 0 3 397.541 0.644 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000119046289 1196876979 /nfs/dbraw/zinc/87/69/79/1196876979.db2.gz AATNUYSRWREMRZ-IAGOWNOFSA-N 0 3 380.514 0.683 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528695584 1196879249 /nfs/dbraw/zinc/87/92/49/1196879249.db2.gz DDYCXABRAQKHMG-UHFFFAOYSA-N 0 3 380.470 0.810 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CN(C)c2ncnc3[nH]cnc32)C[C@@H](C)O1 ZINC000119563955 1196896058 /nfs/dbraw/zinc/89/60/58/1196896058.db2.gz ZCABUOGQZDENPM-KFWWJZLASA-N 0 3 387.488 0.889 20 0 GCADHN CC(C)[C@H]1CNCCN1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000529294831 1196911228 /nfs/dbraw/zinc/91/12/28/1196911228.db2.gz WNOZUHRVKLNHNT-QGZVFWFLSA-N 0 3 375.521 0.628 20 0 GCADHN C[C@H](NC(=O)NC[C@H]1COCCN1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000529304278 1196915419 /nfs/dbraw/zinc/91/54/19/1196915419.db2.gz PIRZVJCPVVGBPR-HOCLYGCPSA-N 0 3 379.480 0.926 20 0 GCADHN CN1c2ccc(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)cc2C(C)(C)S1(=O)=O ZINC000529385952 1196919398 /nfs/dbraw/zinc/91/93/98/1196919398.db2.gz FQPOFAZCTJQRRC-HUUCEWRRSA-N 0 3 393.509 0.982 20 0 GCADHN CN1c2ccc(C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)cc2C(C)(C)S1(=O)=O ZINC000529385950 1196919611 /nfs/dbraw/zinc/91/96/11/1196919611.db2.gz FQPOFAZCTJQRRC-CABCVRRESA-N 0 3 393.509 0.982 20 0 GCADHN CS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000529432728 1196921476 /nfs/dbraw/zinc/92/14/76/1196921476.db2.gz RVEZRYSKRRRARZ-ZWKOTPCHSA-N 0 3 395.525 0.193 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000120875738 1196926122 /nfs/dbraw/zinc/92/61/22/1196926122.db2.gz ZEOHOVZGXGAWKA-PKOBYXMFSA-N 0 3 398.507 0.976 20 0 GCADHN C[C@H](CC(C)(C)O)Nc1nc(N[C@@H](C)CC(C)(C)O)nc(N2CCOCC2)n1 ZINC000450684674 1196948147 /nfs/dbraw/zinc/94/81/47/1196948147.db2.gz AGJJADIBFUEBML-OKILXGFUSA-N 0 3 396.536 0.475 20 0 GCADHN COC[C@]1(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)COc2ccccc2C1 ZINC000529960653 1196954489 /nfs/dbraw/zinc/95/44/89/1196954489.db2.gz MROQGGXAAKBMBL-UZLBHIALSA-N 0 3 375.469 0.533 20 0 GCADHN CCOC(=O)[C@](C)(O)CN1CC(C)(C)N(C[C@@](C)(O)C(=O)OCC)C[C@@H]1C ZINC000451078140 1196968348 /nfs/dbraw/zinc/96/83/48/1196968348.db2.gz DIFGATBJZAAREA-GDIGMMSISA-N 0 3 388.505 0.399 20 0 GCADHN CCN1CCN(CCC(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)CC1 ZINC000530312887 1196977638 /nfs/dbraw/zinc/97/76/38/1196977638.db2.gz KAZMNFQDVODGFJ-UHFFFAOYSA-N 0 3 377.420 0.848 20 0 GCADHN CS[C@H]1CN(C(=O)c2ccc(=O)n(Cc3nc(C)no3)c2)C[C@@H]1N(C)C ZINC000530337841 1196979858 /nfs/dbraw/zinc/97/98/58/1196979858.db2.gz FMLPOUXJBIRAGI-KBPBESRZSA-N 0 3 377.470 0.706 20 0 GCADHN COC(=O)CC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(=O)OC ZINC000530345205 1196980257 /nfs/dbraw/zinc/98/02/57/1196980257.db2.gz HQVRTDCZAPZKPT-CVEARBPZSA-N 0 3 377.441 0.905 20 0 GCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000530584159 1196997991 /nfs/dbraw/zinc/99/79/91/1196997991.db2.gz WTHWEWJZLGWIOQ-HUUCEWRRSA-N 0 3 387.546 0.949 20 0 GCADHN C[C@@H]1CC[C@H](C)N1CC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000530584157 1196998050 /nfs/dbraw/zinc/99/80/50/1196998050.db2.gz WTHWEWJZLGWIOQ-GASCZTMLSA-N 0 3 387.546 0.949 20 0 GCADHN C[C@H]1CC[C@H](C)N1CC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000530584158 1196998088 /nfs/dbraw/zinc/99/80/88/1196998088.db2.gz WTHWEWJZLGWIOQ-GJZGRUSLSA-N 0 3 387.546 0.949 20 0 GCADHN NC(=O)c1ncn([C@H]2CCCN(C(=O)NC[C@H]3NCCc4ccccc43)C2)n1 ZINC000517540298 1197001890 /nfs/dbraw/zinc/00/18/90/1197001890.db2.gz KZOVYXPGNVLYLN-GOEBONIOSA-N 0 3 383.456 0.611 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)C(=O)NC)cc2)CC1 ZINC000530733022 1197010716 /nfs/dbraw/zinc/01/07/16/1197010716.db2.gz SFCPUEVEMZVMJN-CQSZACIVSA-N 0 3 375.473 0.013 20 0 GCADHN CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000530719778 1197011333 /nfs/dbraw/zinc/01/13/33/1197011333.db2.gz LOYZFVUGNOXHPZ-OALUTQOASA-N 0 3 376.501 0.445 20 0 GCADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000530719780 1197011696 /nfs/dbraw/zinc/01/16/96/1197011696.db2.gz LOYZFVUGNOXHPZ-RTBURBONSA-N 0 3 376.501 0.445 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000451719256 1197012477 /nfs/dbraw/zinc/01/24/77/1197012477.db2.gz WWDFQPVHSOZRSY-KZNAEPCWSA-N 0 3 394.560 0.528 20 0 GCADHN COC(=O)c1n[nH]c2c1CN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC2 ZINC000451742593 1197012591 /nfs/dbraw/zinc/01/25/91/1197012591.db2.gz HMLJREMRZDPFBH-KRWDZBQOSA-N 0 3 385.468 0.974 20 0 GCADHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000451771567 1197014454 /nfs/dbraw/zinc/01/44/54/1197014454.db2.gz HJKILUSIDNSTES-CABCVRRESA-N 0 3 395.481 0.545 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000530806630 1197017637 /nfs/dbraw/zinc/01/76/37/1197017637.db2.gz WRZKPDGREAMQMH-ZDUSSCGKSA-N 0 3 394.497 0.524 20 0 GCADHN C[C@H](NS(C)(=O)=O)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000530818549 1197019014 /nfs/dbraw/zinc/01/90/14/1197019014.db2.gz JROHMMLNFDAKBF-GXTWGEPZSA-N 0 3 382.486 0.260 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000122209318 1197019176 /nfs/dbraw/zinc/01/91/76/1197019176.db2.gz FSZAWUGFBKURSD-QZTJIDSGSA-N 0 3 387.528 0.820 20 0 GCADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000530824489 1197020486 /nfs/dbraw/zinc/02/04/86/1197020486.db2.gz RBVQLFMKFMUBAG-HUUCEWRRSA-N 0 3 388.534 0.017 20 0 GCADHN COCCNC(=O)c1cccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000451928156 1197026078 /nfs/dbraw/zinc/02/60/78/1197026078.db2.gz LJBPXLDUQAWALH-MQVJKMGUSA-N 0 3 381.498 0.966 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(Cn3ccnn3)CC2)CC1 ZINC000122473406 1197037357 /nfs/dbraw/zinc/03/73/57/1197037357.db2.gz JYNPGXZOANNNRA-QGZVFWFLSA-N 0 3 377.537 0.973 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(Cn3ccnn3)CC2)CC1 ZINC000122473249 1197037544 /nfs/dbraw/zinc/03/75/44/1197037544.db2.gz JYNPGXZOANNNRA-KRWDZBQOSA-N 0 3 377.537 0.973 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 ZINC000531013835 1197039109 /nfs/dbraw/zinc/03/91/09/1197039109.db2.gz OSGQVXHSKMHSQH-HUUCEWRRSA-N 0 3 383.514 0.882 20 0 GCADHN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NCCN3CC[C@H](C)C3)cc21 ZINC000531044716 1197041821 /nfs/dbraw/zinc/04/18/21/1197041821.db2.gz NOWUZGQTBSGJEM-AWEZNQCLSA-N 0 3 385.468 0.784 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)ccc1F ZINC000531045102 1197042101 /nfs/dbraw/zinc/04/21/01/1197042101.db2.gz HOQAVXOGVBDGPX-NSHDSACASA-N 0 3 375.408 0.506 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)C1 ZINC000531044774 1197042180 /nfs/dbraw/zinc/04/21/80/1197042180.db2.gz VACOSYVBJSOMEF-CYBMUJFWSA-N 0 3 387.440 0.482 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000452347350 1197053666 /nfs/dbraw/zinc/05/36/66/1197053666.db2.gz IKJWRHCEOFPYFN-MRXNPFEDSA-N 0 3 381.498 0.704 20 0 GCADHN CC(C)NS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000452350366 1197053823 /nfs/dbraw/zinc/05/38/23/1197053823.db2.gz ODBVWHFUKUGCQV-INIZCTEOSA-N 0 3 383.514 0.950 20 0 GCADHN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452354851 1197054347 /nfs/dbraw/zinc/05/43/47/1197054347.db2.gz WJDHUIWZBOPDCF-LBPRGKRZSA-N 0 3 394.863 0.901 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CCCN(CCCO)C2)[C@H]1c1ccccc1 ZINC000452383161 1197055840 /nfs/dbraw/zinc/05/58/40/1197055840.db2.gz OKXCYGSQHFEVGE-RLLQIKCJSA-N 0 3 389.496 0.938 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000452378008 1197057527 /nfs/dbraw/zinc/05/75/27/1197057527.db2.gz UEAWJMLFDUHERH-MRXNPFEDSA-N 0 3 381.498 0.803 20 0 GCADHN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@H]1CCCN(CCCO)C1)C2=O ZINC000452376057 1197057952 /nfs/dbraw/zinc/05/79/52/1197057952.db2.gz NNTNYLQHWOBDGP-ZRGWGRIASA-N 0 3 380.489 0.450 20 0 GCADHN C[C@H]1Cc2cc(C(=O)N[C@H]3CCCN(CCCO)C3)ccc2N1S(C)(=O)=O ZINC000452378721 1197058742 /nfs/dbraw/zinc/05/87/42/1197058742.db2.gz XMBOHTRXLIJCPI-YOEHRIQHSA-N 0 3 395.525 0.974 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000531283529 1197062585 /nfs/dbraw/zinc/06/25/85/1197062585.db2.gz QEIKEGOEIYGVPV-ZDUSSCGKSA-N 0 3 382.486 0.333 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000531286156 1197062616 /nfs/dbraw/zinc/06/26/16/1197062616.db2.gz UYEPCLXNPDGULO-SFHVURJKSA-N 0 3 375.450 0.910 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)c(C)c2)CC1 ZINC000531448383 1197076081 /nfs/dbraw/zinc/07/60/81/1197076081.db2.gz ZCAWCIXOBSVHBZ-OAHLLOKOSA-N 0 3 389.500 0.668 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)C(=O)N(C)C ZINC000531448461 1197076109 /nfs/dbraw/zinc/07/61/09/1197076109.db2.gz RXZROCPVAZJBPL-CQSZACIVSA-N 0 3 392.525 0.809 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC000531482238 1197077761 /nfs/dbraw/zinc/07/77/61/1197077761.db2.gz SAXVUDJHVLMZNU-DLBZAZTESA-N 0 3 386.562 0.765 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC000531496483 1197079009 /nfs/dbraw/zinc/07/90/09/1197079009.db2.gz FESJRVODVXIOTA-UHFFFAOYSA-N 0 3 385.472 0.350 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000531500506 1197079419 /nfs/dbraw/zinc/07/94/19/1197079419.db2.gz FMOZTYFEIWGMRB-GFCCVEGCSA-N 0 3 395.485 0.796 20 0 GCADHN COc1cccc(C[C@@H](NC(C)=O)C(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000452789186 1197081770 /nfs/dbraw/zinc/08/17/70/1197081770.db2.gz AKMTYDRLNAYNHU-PKOBYXMFSA-N 0 3 377.485 0.705 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000531530702 1197081778 /nfs/dbraw/zinc/08/17/78/1197081778.db2.gz DERISCVTDSMQCV-UHFFFAOYSA-N 0 3 383.412 0.784 20 0 GCADHN COc1cccc(C[C@@H](NC(C)=O)C(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000452797104 1197082848 /nfs/dbraw/zinc/08/28/48/1197082848.db2.gz ORKOXHYUQWXEKG-IEBWSBKVSA-N 0 3 377.485 0.705 20 0 GCADHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000531644959 1197089769 /nfs/dbraw/zinc/08/97/69/1197089769.db2.gz DLLZGWAINHBWED-RTBURBONSA-N 0 3 379.549 0.214 20 0 GCADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000375489615 1197100372 /nfs/dbraw/zinc/10/03/72/1197100372.db2.gz CEJZBDOKVAFJBJ-IJLUTSLNSA-N 0 3 394.394 0.190 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCc2ccc3c(c2)CCS3(=O)=O)CC1=O ZINC000532078826 1197112184 /nfs/dbraw/zinc/11/21/84/1197112184.db2.gz PMZHGWILGOLRCI-OAHLLOKOSA-N 0 3 379.482 0.043 20 0 GCADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)C1 ZINC000532097725 1197113815 /nfs/dbraw/zinc/11/38/15/1197113815.db2.gz KESIPIBDKHGJAN-SJLPKXTDSA-N 0 3 394.541 0.515 20 0 GCADHN CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCN(C)CC)c(F)c1 ZINC000453640398 1197115659 /nfs/dbraw/zinc/11/56/59/1197115659.db2.gz GWKWBCCFJXFBIQ-UHFFFAOYSA-N 0 3 388.465 0.984 20 0 GCADHN CC(C)c1ncsc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000453628286 1197117351 /nfs/dbraw/zinc/11/73/51/1197117351.db2.gz BNMLRNKEZRBNER-UHFFFAOYSA-N 0 3 393.513 0.972 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc(C(N)=O)c1 ZINC000453629862 1197117359 /nfs/dbraw/zinc/11/73/59/1197117359.db2.gz RCYUNFMUFXHRKG-INIZCTEOSA-N 0 3 376.457 0.602 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)NCCN1CCCC(C)(C)C1 ZINC000453749103 1197128826 /nfs/dbraw/zinc/12/88/26/1197128826.db2.gz NEXDRDBDIXNYNC-UHFFFAOYSA-N 0 3 376.457 0.971 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCc3ncn(C)n3)cc2)CC1 ZINC000532293770 1197135775 /nfs/dbraw/zinc/13/57/75/1197135775.db2.gz MRIXDUWNBLKHPR-UHFFFAOYSA-N 0 3 399.499 0.250 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c(C)cc1C ZINC000453805860 1197138804 /nfs/dbraw/zinc/13/88/04/1197138804.db2.gz MDKMLRFKTDCDMN-OAHLLOKOSA-N 0 3 391.468 0.992 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cc(OC)c1C ZINC000453805436 1197139124 /nfs/dbraw/zinc/13/91/24/1197139124.db2.gz LELONLJGMZLAOQ-OAHLLOKOSA-N 0 3 379.457 0.914 20 0 GCADHN Cc1nc(-c2ccc(NC(=O)C(=O)NC[C@@H]3CCCN3CCCO)cc2)n[nH]1 ZINC000453808727 1197139391 /nfs/dbraw/zinc/13/93/91/1197139391.db2.gz SLASYMCSZHYMPG-INIZCTEOSA-N 0 3 386.456 0.682 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)CN1CCN(C)CC1 ZINC000532341092 1197143347 /nfs/dbraw/zinc/14/33/47/1197143347.db2.gz XXUNEVIVUXMXGM-QGZVFWFLSA-N 0 3 398.511 0.870 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000532323295 1197144002 /nfs/dbraw/zinc/14/40/02/1197144002.db2.gz GDELDSSHHJRGNC-GOSISDBHSA-N 0 3 397.541 0.895 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cn1C ZINC000532348031 1197146957 /nfs/dbraw/zinc/14/69/57/1197146957.db2.gz ZNXQWLNMELTLSJ-OAHLLOKOSA-N 0 3 398.529 0.601 20 0 GCADHN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC[C@H](CCC(N)=O)C1 ZINC000170736104 1197154591 /nfs/dbraw/zinc/15/45/91/1197154591.db2.gz HZVXBBQKWQHZCG-HZPDHXFCSA-N 0 3 390.484 0.930 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2c(C)oc3nc[nH]c(=O)c32)CC1 ZINC000171560618 1197158010 /nfs/dbraw/zinc/15/80/10/1197158010.db2.gz YLQKREPSYFMVLR-UHFFFAOYSA-N 0 3 375.429 0.451 20 0 GCADHN CCOC(=O)COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000453917434 1197158582 /nfs/dbraw/zinc/15/85/82/1197158582.db2.gz MUJJEXQUFCQQAK-XJKSGUPXSA-N 0 3 375.425 0.730 20 0 GCADHN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1n[nH]c2c1CNCC2 ZINC000262763236 1197158659 /nfs/dbraw/zinc/15/86/59/1197158659.db2.gz GMZTZWCCFIUIIP-UHFFFAOYSA-N 0 3 385.424 0.931 20 0 GCADHN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCO[C@@H](CN(C)C)C3)cc12 ZINC000173791186 1197179019 /nfs/dbraw/zinc/17/90/19/1197179019.db2.gz BSNJKCSVRZFJGV-STQMWFEESA-N 0 3 393.513 0.851 20 0 GCADHN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCO[C@H](CN(C)C)C3)cc12 ZINC000173791163 1197179181 /nfs/dbraw/zinc/17/91/81/1197179181.db2.gz BSNJKCSVRZFJGV-QWHCGFSZSA-N 0 3 393.513 0.851 20 0 GCADHN Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428524221 1197183554 /nfs/dbraw/zinc/18/35/54/1197183554.db2.gz JBGAQMUQBULLPK-AWEZNQCLSA-N 0 3 378.454 0.491 20 0 GCADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000176999698 1197188605 /nfs/dbraw/zinc/18/86/05/1197188605.db2.gz KVMSNBQDCARDHV-INIZCTEOSA-N 0 3 383.456 0.995 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177078145 1197189178 /nfs/dbraw/zinc/18/91/78/1197189178.db2.gz CTYGZRMSQLKAQW-ZKYQVNSYSA-N 0 3 383.518 0.445 20 0 GCADHN CC1CCN(CC(=O)N2C[C@@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)CC[C@@H]3C2)CC1 ZINC000986567253 1197194404 /nfs/dbraw/zinc/19/44/04/1197194404.db2.gz PBLPSBLAKPEBIY-DMUMMCEESA-N 0 3 393.528 0.829 20 0 GCADHN CC1CCN(CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)CC1 ZINC000986567059 1197194458 /nfs/dbraw/zinc/19/44/58/1197194458.db2.gz KAACQZFDWJYMFY-TWMKSMIVSA-N 0 3 376.501 0.147 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)C[C@@H]21 ZINC000453925867 1197195595 /nfs/dbraw/zinc/19/55/95/1197195595.db2.gz ZXHRIPLSJYZQQG-WBMJQRKESA-N 0 3 392.481 0.228 20 0 GCADHN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)CC2 ZINC000181608591 1197204933 /nfs/dbraw/zinc/20/49/33/1197204933.db2.gz YWVIQZZARWARMU-JKSUJKDBSA-N 0 3 377.537 0.899 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN1C(=O)CCC1=O)C2)N(C)C ZINC001719912091 1197206040 /nfs/dbraw/zinc/20/60/40/1197206040.db2.gz CVUKXEWWQIDRQR-KBXIAJHMSA-N 0 3 378.473 0.114 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)Cn2ncn(C)c2=O)cc1)[C@H]1CCCN(C)C1 ZINC000182162137 1197206760 /nfs/dbraw/zinc/20/67/60/1197206760.db2.gz DRBBFJDMFAJSLM-INIZCTEOSA-N 0 3 386.456 0.387 20 0 GCADHN CCN(CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183762967 1197210014 /nfs/dbraw/zinc/21/00/14/1197210014.db2.gz CTMUXCUGEXDTME-MRXNPFEDSA-N 0 3 399.495 0.918 20 0 GCADHN C[C@H](Cc1ccc(Cl)cc1)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001168165404 1197227603 /nfs/dbraw/zinc/22/76/03/1197227603.db2.gz CQDYLTAFKXQFAI-DOMZBBRYSA-N 0 3 380.876 0.453 20 0 GCADHN C[C@H](NC[C@@H]1CCCNC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000666187089 1197234562 /nfs/dbraw/zinc/23/45/62/1197234562.db2.gz HGGSUCAVLLUCPG-HOCLYGCPSA-N 0 3 381.498 0.884 20 0 GCADHN CCc1nn(C)c(CC)c1CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000189506724 1197236960 /nfs/dbraw/zinc/23/69/60/1197236960.db2.gz FVLRHKWRVCRWSK-GOSISDBHSA-N 0 3 375.517 0.852 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1 ZINC000475799805 1197237430 /nfs/dbraw/zinc/23/74/30/1197237430.db2.gz WCSWDMZFXMBBIC-UHFFFAOYSA-N 0 3 380.493 0.982 20 0 GCADHN COCCCN(C(=O)c1cn(Cc2noc(C)n2)nn1)C1CCN(C)CC1 ZINC000290882487 1197242645 /nfs/dbraw/zinc/24/26/45/1197242645.db2.gz FOZNATXHSJIEAK-UHFFFAOYSA-N 0 3 377.449 0.591 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000475814850 1197243180 /nfs/dbraw/zinc/24/31/80/1197243180.db2.gz XLIZBZYKLYHXGO-MRXNPFEDSA-N 0 3 378.477 0.736 20 0 GCADHN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)n1 ZINC000192009055 1197244931 /nfs/dbraw/zinc/24/49/31/1197244931.db2.gz AQELDFSKRDTSFG-HNNXBMFYSA-N 0 3 383.456 0.914 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1N1CCCC1=O ZINC000453948215 1197246259 /nfs/dbraw/zinc/24/62/59/1197246259.db2.gz ZEQUGTTZUPAKDY-XJKSGUPXSA-N 0 3 386.452 0.923 20 0 GCADHN CCN1CCO[C@@H](CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)[C@@H]1c1cnn(C)c1 ZINC000666233191 1197248479 /nfs/dbraw/zinc/24/84/79/1197248479.db2.gz KNCAISUJBRUTPC-BVBHFADKSA-N 0 3 390.532 0.918 20 0 GCADHN CC[C@H](CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)N1CCc2ccccc2C1 ZINC000666236391 1197249269 /nfs/dbraw/zinc/24/92/69/1197249269.db2.gz XOTHATDTFWFXBS-ZWKOTPCHSA-N 0 3 394.541 0.855 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cc(=O)n3ccccc3n2)CC1 ZINC000584415228 1197252773 /nfs/dbraw/zinc/25/27/73/1197252773.db2.gz ZEKYUTLPWBHDOD-MRXNPFEDSA-N 0 3 398.467 0.143 20 0 GCADHN O=C(Cc1cc2ccccc2[nH]c1=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103122120 1197263354 /nfs/dbraw/zinc/26/33/54/1197263354.db2.gz KGYXLFPBDLGHJG-UHFFFAOYSA-N 0 3 382.464 0.837 20 0 GCADHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCOCC1)C2 ZINC001719914635 1197268149 /nfs/dbraw/zinc/26/81/49/1197268149.db2.gz QAVGIYFJFCPOPD-ZACQAIPSSA-N 0 3 380.533 0.687 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000666395818 1197271538 /nfs/dbraw/zinc/27/15/38/1197271538.db2.gz DPVHFXUZAXPMRR-UHFFFAOYSA-N 0 3 392.504 0.710 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000053152894 1197277203 /nfs/dbraw/zinc/27/72/03/1197277203.db2.gz LUKZFUINAZMMCV-GDBMZVCRSA-N 0 3 385.530 0.355 20 0 GCADHN CC(C)CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCN(C)CC1 ZINC000053231971 1197278692 /nfs/dbraw/zinc/27/86/92/1197278692.db2.gz RVDCISMBSAWKHG-NVXWUHKLSA-N 0 3 399.557 0.601 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](OC)C3)c(C)c2)CC1 ZINC000453969680 1197279844 /nfs/dbraw/zinc/27/98/44/1197279844.db2.gz OUCSPSWMJUWNMI-QZTJIDSGSA-N 0 3 390.484 0.294 20 0 GCADHN CN(CCN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1)Cc1ccccc1 ZINC000104438064 1197297039 /nfs/dbraw/zinc/29/70/39/1197297039.db2.gz LYUMTGJJRZFNFA-GOSISDBHSA-N 0 3 379.526 0.697 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000454081139 1197320745 /nfs/dbraw/zinc/32/07/45/1197320745.db2.gz BXYFWVIYMDSUIU-AWEZNQCLSA-N 0 3 396.513 0.817 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000532515823 1197322014 /nfs/dbraw/zinc/32/20/14/1197322014.db2.gz RNUPWKFGDQGHGX-SJLPKXTDSA-N 0 3 384.480 0.805 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000532515812 1197322089 /nfs/dbraw/zinc/32/20/89/1197322089.db2.gz RNUPWKFGDQGHGX-AEFFLSMTSA-N 0 3 384.480 0.805 20 0 GCADHN CC[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)C(=O)NC ZINC000454087681 1197323235 /nfs/dbraw/zinc/32/32/35/1197323235.db2.gz IIGOUOKLKAPIPW-INIZCTEOSA-N 0 3 389.500 0.716 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000454097239 1197324163 /nfs/dbraw/zinc/32/41/63/1197324163.db2.gz MGQTXEYQDKXCMD-CQSZACIVSA-N 0 3 396.513 0.783 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)ccc1C ZINC000454094846 1197324299 /nfs/dbraw/zinc/32/42/99/1197324299.db2.gz LITOCANUXUBTHU-HNNXBMFYSA-N 0 3 396.513 0.783 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C1 ZINC000454083859 1197324477 /nfs/dbraw/zinc/32/44/77/1197324477.db2.gz DIWKWDXDCQFLKE-AWEZNQCLSA-N 0 3 396.513 0.962 20 0 GCADHN NC(=O)N1CCCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000102180760 1197324518 /nfs/dbraw/zinc/32/45/18/1197324518.db2.gz DEOCTCIZSUBIJO-UHFFFAOYSA-N 0 3 377.464 0.951 20 0 GCADHN C[C@H]1C[C@H](O)CN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000454107589 1197327577 /nfs/dbraw/zinc/32/75/77/1197327577.db2.gz QUBWIJRTIXTSOV-ZFWWWQNUSA-N 0 3 376.457 0.722 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1-n1cnnn1 ZINC000454108990 1197327744 /nfs/dbraw/zinc/32/77/44/1197327744.db2.gz SRFGQVKVYZIXCU-AWEZNQCLSA-N 0 3 387.444 0.551 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1C ZINC000454115682 1197328643 /nfs/dbraw/zinc/32/86/43/1197328643.db2.gz XKPSSQYGZQSUAT-CQSZACIVSA-N 0 3 396.513 0.830 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNC2(CO)CCOCC2)cc1 ZINC000532557689 1197329617 /nfs/dbraw/zinc/32/96/17/1197329617.db2.gz ACHCJJLXBNVRDZ-UHFFFAOYSA-N 0 3 399.513 0.787 20 0 GCADHN NS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000110686054 1197331431 /nfs/dbraw/zinc/33/14/31/1197331431.db2.gz IYSAIHJQSUQWHW-HNNXBMFYSA-N 0 3 384.477 0.385 20 0 GCADHN C[C@H]1OC[C@]2(CC[C@@H](CNC(=O)C(=O)NCCN3CCC(C)CC3)O2)[C@H]1C ZINC000897450006 1197333059 /nfs/dbraw/zinc/33/30/59/1197333059.db2.gz DSJSBOUMBFYNOB-PFRQMTDMSA-N 0 3 381.517 0.923 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000729612435 1197333573 /nfs/dbraw/zinc/33/35/73/1197333573.db2.gz WUYMNZPABHYBMJ-HOTGVXAUSA-N 0 3 382.505 0.724 20 0 GCADHN CCN1CC[C@H]1CNC(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000897453385 1197333819 /nfs/dbraw/zinc/33/38/19/1197333819.db2.gz KNRZCKACPAEUGI-RBUKOAKNSA-N 0 3 387.528 0.302 20 0 GCADHN CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000897453192 1197333878 /nfs/dbraw/zinc/33/38/78/1197333878.db2.gz FUJKRBBLFLLCRV-MOPGFXCFSA-N 0 3 389.496 0.813 20 0 GCADHN CC(C)N(C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112503707 1197334997 /nfs/dbraw/zinc/33/49/97/1197334997.db2.gz LWXLXJCROXMSCL-INIZCTEOSA-N 0 3 376.505 0.738 20 0 GCADHN COCc1ccccc1CNC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000429729614 1197335729 /nfs/dbraw/zinc/33/57/29/1197335729.db2.gz ZOKFJWNDLVOHTH-IAGOWNOFSA-N 0 3 383.514 0.899 20 0 GCADHN Cc1nn(C)c(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000532597699 1197336653 /nfs/dbraw/zinc/33/66/53/1197336653.db2.gz NISIVKFCIIVMST-CQSZACIVSA-N 0 3 378.477 0.034 20 0 GCADHN CC(C)Cn1nccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000532598602 1197336773 /nfs/dbraw/zinc/33/67/73/1197336773.db2.gz PCKDPJIYERVMSF-UHFFFAOYSA-N 0 3 390.488 0.244 20 0 GCADHN CC(C)[C@H](CNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C)N1CCN(C)CC1 ZINC000332821892 1197344617 /nfs/dbraw/zinc/34/46/17/1197344617.db2.gz BCULRJXMZCNFJS-QYZOEREBSA-N 0 3 381.565 0.763 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000332946660 1197347764 /nfs/dbraw/zinc/34/77/64/1197347764.db2.gz WWJHCQXRBBJOSC-KSSFIOAISA-N 0 3 380.489 0.450 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CN1C1CC1 ZINC000332946678 1197347905 /nfs/dbraw/zinc/34/79/05/1197347905.db2.gz WZLWGHMCFBTLDW-VFVRVIDISA-N 0 3 378.473 0.343 20 0 GCADHN C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000332969526 1197348473 /nfs/dbraw/zinc/34/84/73/1197348473.db2.gz VNTOCVBPAIQLPC-DOTOQJQBSA-N 0 3 393.532 0.772 20 0 GCADHN CCc1nnc(N2CCO[C@H](COC)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001709163225 1197352777 /nfs/dbraw/zinc/35/27/77/1197352777.db2.gz VIYLEDVTKMEMMO-IRXDYDNUSA-N 0 3 380.537 0.718 20 0 GCADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729619705 1197354646 /nfs/dbraw/zinc/35/46/46/1197354646.db2.gz SGZXQZRVBYWSGZ-BMFZPTHFSA-N 0 3 396.513 0.900 20 0 GCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000127342611 1197360861 /nfs/dbraw/zinc/36/08/61/1197360861.db2.gz POFQSXYGICAZDY-IRXDYDNUSA-N 0 3 395.463 0.625 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)CC1 ZINC000127507934 1197361273 /nfs/dbraw/zinc/36/12/73/1197361273.db2.gz URLCLXPOSGERAY-CQSZACIVSA-N 0 3 398.385 0.807 20 0 GCADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cc(C)no1 ZINC001709133370 1197363185 /nfs/dbraw/zinc/36/31/85/1197363185.db2.gz WCVFJYONCNWPLU-UHFFFAOYSA-N 0 3 387.488 0.930 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)CO2)CCSC1 ZINC000897474774 1197365654 /nfs/dbraw/zinc/36/56/54/1197365654.db2.gz AXOLSTAYGYIUGI-BEFAXECRSA-N 0 3 399.557 0.632 20 0 GCADHN C[C@@H](C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)N1CCCCCC1 ZINC000129897316 1197370042 /nfs/dbraw/zinc/37/00/42/1197370042.db2.gz NWIUZJYIAZJFLH-HNNXBMFYSA-N 0 3 397.545 0.954 20 0 GCADHN CN1C[C@@H](C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CC1=O ZINC000131372777 1197376802 /nfs/dbraw/zinc/37/68/02/1197376802.db2.gz WUSBYRPLIPVKLA-ROUUACIJSA-N 0 3 385.512 0.921 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000614844993 1197387302 /nfs/dbraw/zinc/38/73/02/1197387302.db2.gz BCDQLBIADSUFFB-KBPBESRZSA-N 0 3 383.876 0.606 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2ccc(Br)c(F)c2F)no1 ZINC001211958955 1197387309 /nfs/dbraw/zinc/38/73/09/1197387309.db2.gz RUUXELSNHZTDKZ-ZETCQYMHSA-N 0 3 377.145 0.886 20 0 GCADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614851925 1197388460 /nfs/dbraw/zinc/38/84/60/1197388460.db2.gz MLFLZDQZTJCBLY-MOLYVOAJSA-N 0 3 391.390 0.011 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000614851823 1197388751 /nfs/dbraw/zinc/38/87/51/1197388751.db2.gz DCNBRCFJIRSZFK-CABCVRRESA-N 0 3 392.456 0.493 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000614850021 1197388908 /nfs/dbraw/zinc/38/89/08/1197388908.db2.gz QKUVACXVPDKPDO-ZUOKHONESA-N 0 3 386.452 0.167 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000614854306 1197389359 /nfs/dbraw/zinc/38/93/59/1197389359.db2.gz MSNBVADNZSROAJ-GOSISDBHSA-N 0 3 376.501 0.989 20 0 GCADHN CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](CO)CN(C)C)cc(C3CC3)nc21 ZINC000614854425 1197389461 /nfs/dbraw/zinc/38/94/61/1197389461.db2.gz OTHYXWZKOZKDJW-NSHDSACASA-N 0 3 375.429 0.047 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@H](CO)CN(C)C ZINC000614858517 1197390928 /nfs/dbraw/zinc/39/09/28/1197390928.db2.gz IFUBLXFGJWEEPV-JQWIXIFHSA-N 0 3 397.419 0.411 20 0 GCADHN NC(=O)c1csc(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000666720138 1197391235 /nfs/dbraw/zinc/39/12/35/1197391235.db2.gz ZDDVKFLHZXVFDO-GOSISDBHSA-N 0 3 389.481 0.678 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000614861161 1197391572 /nfs/dbraw/zinc/39/15/72/1197391572.db2.gz WUKXCYDAVCHYKY-HNNXBMFYSA-N 0 3 382.420 0.530 20 0 GCADHN COc1cc(C(=O)NCC(=O)N[C@@H](CO)CN(C)C)ccc1OC(F)F ZINC000614860638 1197391780 /nfs/dbraw/zinc/39/17/80/1197391780.db2.gz UUHBMZZFKBCAJF-LLVKDONJSA-N 0 3 375.372 0.065 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000614861245 1197391826 /nfs/dbraw/zinc/39/18/26/1197391826.db2.gz YUTKNFNKFNVHHK-MRXNPFEDSA-N 0 3 383.514 0.904 20 0 GCADHN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@H]2CN(Cc3cc(=O)n4nccc4[nH]3)C[C@H]21 ZINC001075906609 1197392933 /nfs/dbraw/zinc/39/29/33/1197392933.db2.gz RXVUPWMUEUGQFK-DPAVQSFQSA-N 0 3 393.451 0.582 20 0 GCADHN CN(C)C(=O)C(C)(C)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532716444 1197396055 /nfs/dbraw/zinc/39/60/55/1197396055.db2.gz QSUYETGXQDLPOX-UHFFFAOYSA-N 0 3 399.513 0.543 20 0 GCADHN COc1cc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc(OC)c1OC ZINC000418903447 1197396739 /nfs/dbraw/zinc/39/67/39/1197396739.db2.gz BFCCHFOWHIDGNZ-AAEUAGOBSA-N 0 3 395.456 0.558 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000532713779 1197396819 /nfs/dbraw/zinc/39/68/19/1197396819.db2.gz IFJFEULTKWOUPG-AWEZNQCLSA-N 0 3 375.473 0.766 20 0 GCADHN NS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000193858795 1197397319 /nfs/dbraw/zinc/39/73/19/1197397319.db2.gz GMKAGMGBTNYBTA-KRWDZBQOSA-N 0 3 380.514 0.683 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)CCN1CCCN1C(=O)CNC1=O ZINC001088578724 1197397977 /nfs/dbraw/zinc/39/79/77/1197397977.db2.gz QQZZUEGMOAYMME-XBVQOTNRSA-N 0 3 385.468 0.706 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)N[C@H]3CS(=O)(=O)C[C@@H]3OC)c2)CC1 ZINC000666735729 1197398902 /nfs/dbraw/zinc/39/89/02/1197398902.db2.gz DZUGBAXGXWVOPA-IRXDYDNUSA-N 0 3 396.513 0.762 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](c3nc(N(C)C)no3)C2)CC1=O ZINC000194479575 1197399173 /nfs/dbraw/zinc/39/91/73/1197399173.db2.gz ZPHVKVYBXHXIPW-KBPBESRZSA-N 0 3 378.477 0.252 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@@]2(O)CCSC2)CC1 ZINC001746135444 1197400614 /nfs/dbraw/zinc/40/06/14/1197400614.db2.gz UEPNZACDXHNMSU-SFHVURJKSA-N 0 3 396.561 0.445 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(Cl)n1 ZINC000897493477 1197401989 /nfs/dbraw/zinc/40/19/89/1197401989.db2.gz CGCSHPUQOZBRRJ-CYBMUJFWSA-N 0 3 381.908 0.659 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CC[C@@H](c2nccs2)C1)CN1CCN(C)CC1 ZINC000897495383 1197402463 /nfs/dbraw/zinc/40/24/63/1197402463.db2.gz ZRNRQIWRGLKZRD-LSDHHAIUSA-N 0 3 379.530 0.459 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CC[C@H](c2nccs2)C1)CN1CCN(C)CC1 ZINC000897495380 1197402612 /nfs/dbraw/zinc/40/26/12/1197402612.db2.gz ZRNRQIWRGLKZRD-GJZGRUSLSA-N 0 3 379.530 0.459 20 0 GCADHN CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC1CNC1 ZINC000429745896 1197404463 /nfs/dbraw/zinc/40/44/63/1197404463.db2.gz SISXVBIPEKIGSQ-UHFFFAOYSA-N 0 3 398.485 0.066 20 0 GCADHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000532759008 1197409645 /nfs/dbraw/zinc/40/96/45/1197409645.db2.gz YWYYHBKFUPCARZ-GOEBONIOSA-N 0 3 398.463 0.930 20 0 GCADHN Cc1nc(N2CCC[C@@]3(CNC(=O)C3)C2)cc(N2CCC[C@]3(CNC(=O)C3)C2)n1 ZINC000532781191 1197410509 /nfs/dbraw/zinc/41/05/09/1197410509.db2.gz LMKVHOCXWSVPOF-OYRHEFFESA-N 0 3 398.511 0.998 20 0 GCADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1 ZINC000532783100 1197410609 /nfs/dbraw/zinc/41/06/09/1197410609.db2.gz BNFKVJJAOVCJIY-CQSZACIVSA-N 0 3 384.502 0.592 20 0 GCADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000532798482 1197411532 /nfs/dbraw/zinc/41/15/32/1197411532.db2.gz IETUJQQJJINRRG-DLBZAZTESA-N 0 3 380.514 0.834 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532798668 1197413389 /nfs/dbraw/zinc/41/33/89/1197413389.db2.gz WJGVSVHCRSDBMW-DLBZAZTESA-N 0 3 380.514 0.691 20 0 GCADHN COC[C@H](CNC(=O)[C@H]1CCN1C(C)(C)C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897499535 1197413744 /nfs/dbraw/zinc/41/37/44/1197413744.db2.gz IULKDRSJKDDPHJ-XHSDSOJGSA-N 0 3 382.549 0.979 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000454448306 1197414842 /nfs/dbraw/zinc/41/48/42/1197414842.db2.gz WQMYIGSOGWFQPM-UHFFFAOYSA-N 0 3 384.502 0.945 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000532902645 1197419103 /nfs/dbraw/zinc/41/91/03/1197419103.db2.gz UVKHLUMBXVECIB-CABCVRRESA-N 0 3 386.452 0.787 20 0 GCADHN CN(C)C(=O)N[C@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000454642099 1197424386 /nfs/dbraw/zinc/42/43/86/1197424386.db2.gz FWSFXCCWHOZUMD-HOTGVXAUSA-N 0 3 396.536 0.374 20 0 GCADHN CN(CC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ncnc2nc[nH]c21 ZINC000245841998 1197434506 /nfs/dbraw/zinc/43/45/06/1197434506.db2.gz HYDBXYIZAKSTQT-JKSUJKDBSA-N 0 3 395.467 0.541 20 0 GCADHN C[C@H](CNC(=O)NCc1ccccc1CN1CCC(O)CC1)S(C)(=O)=O ZINC000533162407 1197435207 /nfs/dbraw/zinc/43/52/07/1197435207.db2.gz STYOJLDDYIKLCB-CQSZACIVSA-N 0 3 383.514 0.876 20 0 GCADHN CCOC(=O)Cn1cccc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)c1=O ZINC000533161035 1197435321 /nfs/dbraw/zinc/43/53/21/1197435321.db2.gz JEBPYISTYGPNBR-OAHLLOKOSA-N 0 3 394.472 0.986 20 0 GCADHN CCNC(=O)CNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000061924837 1197438952 /nfs/dbraw/zinc/43/89/52/1197438952.db2.gz QKPMNAAFGCMXKF-UHFFFAOYSA-N 0 3 375.473 0.015 20 0 GCADHN CN1CCN(CCCCNC(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000533266404 1197442863 /nfs/dbraw/zinc/44/28/63/1197442863.db2.gz YCAAFCKCBXBQJA-UHFFFAOYSA-N 0 3 390.532 0.699 20 0 GCADHN COc1ccc(C(=O)NCCN2CCN(C(=O)[C@H](N)CC(C)C)CC2)cc1 ZINC000237130721 1197459199 /nfs/dbraw/zinc/45/91/99/1197459199.db2.gz RNHVEIFUDZNNOA-GOSISDBHSA-N 0 3 376.501 0.943 20 0 GCADHN Cc1ccc2cccc(-c3noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n3)c2n1 ZINC001211998123 1197465215 /nfs/dbraw/zinc/46/52/15/1197465215.db2.gz CZHXBFZWPQBVHP-SMDDNHRTSA-N 0 3 382.424 0.843 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cccc(C3OCCO3)c2)no1)C(N)=O ZINC001211998157 1197465370 /nfs/dbraw/zinc/46/53/70/1197465370.db2.gz FMCRPAZSWHSJOX-GXFFZTMASA-N 0 3 389.412 0.032 20 0 GCADHN CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000069229402 1197468495 /nfs/dbraw/zinc/46/84/95/1197468495.db2.gz OVCPAVQXUVZSON-RBUKOAKNSA-N 0 3 388.512 0.586 20 0 GCADHN O=C(CN1CCC[C@H](CN2CCOCC2)C1)N1CCN(Cc2ccco2)CC1 ZINC000069804464 1197468989 /nfs/dbraw/zinc/46/89/89/1197468989.db2.gz LLWNYEJFRGBHPL-LJQANCHMSA-N 0 3 390.528 0.968 20 0 GCADHN CC(C)C(=O)N1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000069608879 1197469211 /nfs/dbraw/zinc/46/92/11/1197469211.db2.gz FRBBKDSKJJFTLI-UHFFFAOYSA-N 0 3 388.516 0.706 20 0 GCADHN CC(C)Oc1ccc([C@@H](CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)N(C)C)cc1 ZINC000614875507 1197483841 /nfs/dbraw/zinc/48/38/41/1197483841.db2.gz NQWBBZAYDPAWJK-NCXUSEDFSA-N 0 3 378.469 0.606 20 0 GCADHN CC(C)Oc1ccc([C@H](CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)N(C)C)cc1 ZINC000614875508 1197483905 /nfs/dbraw/zinc/48/39/05/1197483905.db2.gz NQWBBZAYDPAWJK-WJFTUGDTSA-N 0 3 378.469 0.606 20 0 GCADHN CN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC001482751611 1197487049 /nfs/dbraw/zinc/48/70/49/1197487049.db2.gz QEOFEJPXPNWULB-PCODUJHASA-N 0 3 381.517 0.659 20 0 GCADHN CCOC(=O)c1cccc(OC[C@H](O)CN2CCN(CCO)C(C)(C)C2)c1 ZINC000614920616 1197487723 /nfs/dbraw/zinc/48/77/23/1197487723.db2.gz LTUOPDPATSCPKJ-QGZVFWFLSA-N 0 3 380.485 0.992 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)CC1 ZINC000897529126 1197492649 /nfs/dbraw/zinc/49/26/49/1197492649.db2.gz GENQZARVGTVJKF-NVALYEJGSA-N 0 3 397.516 0.302 20 0 GCADHN COCCCN(C(=O)CNS(=O)(=O)c1cccnc1)C1CCN(C)CC1 ZINC000615046777 1197500461 /nfs/dbraw/zinc/50/04/61/1197500461.db2.gz MTMKGNIIJPCUJP-UHFFFAOYSA-N 0 3 384.502 0.319 20 0 GCADHN CC(C)[C@@H](CCO)NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000161902771 1197500950 /nfs/dbraw/zinc/50/09/50/1197500950.db2.gz WNFSZGUDERVGOH-OAHLLOKOSA-N 0 3 388.468 0.357 20 0 GCADHN COCCOc1ncccc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000116621381 1197509183 /nfs/dbraw/zinc/50/91/83/1197509183.db2.gz DZHYCPSASQUSRD-INIZCTEOSA-N 0 3 378.473 0.779 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000261651514 1197510626 /nfs/dbraw/zinc/51/06/26/1197510626.db2.gz AAILEVGKAAIIHZ-KRWDZBQOSA-N 0 3 384.484 0.271 20 0 GCADHN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCNC[C@H]1c1nccn1C ZINC000261623896 1197510887 /nfs/dbraw/zinc/51/08/87/1197510887.db2.gz ACASSATWEBNOMN-WFASDCNBSA-N 0 3 381.440 0.588 20 0 GCADHN COCCOc1cccc(CNC(=O)CN2CCNC[C@@H]2c2nccn2C)c1 ZINC000261730669 1197512856 /nfs/dbraw/zinc/51/28/56/1197512856.db2.gz JLFKMLDMFCOTDM-GOSISDBHSA-N 0 3 387.484 0.708 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000262011298 1197522351 /nfs/dbraw/zinc/52/23/51/1197522351.db2.gz FLRIXVDMFRNBEL-INIZCTEOSA-N 0 3 392.481 0.878 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000262162126 1197526437 /nfs/dbraw/zinc/52/64/37/1197526437.db2.gz PVQOZHRKBFMRQE-INIZCTEOSA-N 0 3 384.864 0.845 20 0 GCADHN Cc1cc(C(=O)NC2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)c(C)o1 ZINC000262167987 1197526455 /nfs/dbraw/zinc/52/64/55/1197526455.db2.gz QGQKRNZDNAPVEP-KRWDZBQOSA-N 0 3 378.473 0.717 20 0 GCADHN CC[C@H](N)C(=O)Nc1c(NCc2ccccc2)c(=O)[nH]c(=O)n1CCOC ZINC000262452742 1197531890 /nfs/dbraw/zinc/53/18/90/1197531890.db2.gz RTZMHUKTRSBYMV-ZDUSSCGKSA-N 0 3 375.429 0.883 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000262527065 1197533435 /nfs/dbraw/zinc/53/34/35/1197533435.db2.gz NVODJJZFEDIMCJ-KRWDZBQOSA-N 0 3 378.517 0.444 20 0 GCADHN CCc1nn(C)c(CC)c1CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000611675319 1197536155 /nfs/dbraw/zinc/53/61/55/1197536155.db2.gz YHGFSMHEHRDFFV-HNNXBMFYSA-N 0 3 391.516 0.531 20 0 GCADHN Cc1cccc(OCCNC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000162452022 1197544469 /nfs/dbraw/zinc/54/44/69/1197544469.db2.gz AWWFTEHWFSWWGR-IBGZPJMESA-N 0 3 388.512 0.728 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC3([S@@](C)=O)CC3)c2)CC1 ZINC000282070003 1197547797 /nfs/dbraw/zinc/54/77/97/1197547797.db2.gz QTLCLOYLRVLILZ-HHHXNRCGSA-N 0 3 392.525 0.794 20 0 GCADHN O=C(CNS(=O)(=O)c1cccnc1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000615107632 1197550338 /nfs/dbraw/zinc/55/03/38/1197550338.db2.gz HRPBMTALTJFDDM-MRXNPFEDSA-N 0 3 390.465 0.565 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)C1 ZINC000428621257 1197556359 /nfs/dbraw/zinc/55/63/59/1197556359.db2.gz CUHGHDFKVUYOPM-MRXNPFEDSA-N 0 3 399.513 0.627 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000428634209 1197558257 /nfs/dbraw/zinc/55/82/57/1197558257.db2.gz ZJVVEDMHWRSJDE-RDGPPVDQSA-N 0 3 394.560 0.791 20 0 GCADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000533813441 1197568681 /nfs/dbraw/zinc/56/86/81/1197568681.db2.gz KYMYRAZBYXJAHY-IRXDYDNUSA-N 0 3 382.530 0.883 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NCC(=O)Nc1cc(C)ccc1OC ZINC000429768463 1197576402 /nfs/dbraw/zinc/57/64/02/1197576402.db2.gz GZTNRTSEHCFDJI-KGLIPLIRSA-N 0 3 376.457 0.563 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000332960119 1197578261 /nfs/dbraw/zinc/57/82/61/1197578261.db2.gz QWPSWFIGGIBLRC-CVEARBPZSA-N 0 3 388.468 0.774 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(c3cnn(C)c3)CC2)CC1 ZINC000080706107 1197583452 /nfs/dbraw/zinc/58/34/52/1197583452.db2.gz KKPPARKBEIERGT-KRWDZBQOSA-N 0 3 377.537 0.525 20 0 GCADHN CCCCn1c(N)c(N(CC)C(=O)CN[C@@H]2CCO[C@H]2CC)c(=O)[nH]c1=O ZINC000459780771 1197587753 /nfs/dbraw/zinc/58/77/53/1197587753.db2.gz RUAKZPUQPMOYAV-OLZOCXBDSA-N 0 3 381.477 0.841 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(C)C)C2)N(C)C ZINC000999546980 1198948312 /nfs/dbraw/zinc/94/83/12/1198948312.db2.gz OFQFNAHRJJPUGC-ALYAQQCSSA-N 0 3 378.517 0.974 20 0 GCADHN CC(C)N1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC000999562391 1198949490 /nfs/dbraw/zinc/94/94/90/1198949490.db2.gz UNGBNTQYLSXBIW-VSZNYVQBSA-N 0 3 378.517 0.440 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000671994643 1198963544 /nfs/dbraw/zinc/96/35/44/1198963544.db2.gz MTFWMBVOBRTBKV-KRWDZBQOSA-N 0 3 392.475 0.591 20 0 GCADHN O=C(CN[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1)N1CCNC(=O)C1 ZINC000999775151 1198970197 /nfs/dbraw/zinc/97/01/97/1198970197.db2.gz JTJVXLCUIHXREK-LUKYLMHMSA-N 0 3 376.501 0.352 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000265717764 1198986605 /nfs/dbraw/zinc/98/66/05/1198986605.db2.gz FQJJDMHXTAJAEG-VQTJNVASSA-N 0 3 390.528 0.950 20 0 GCADHN CN1CCC(O)(C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CCC(F)(F)F)CC1 ZINC001272834987 1199019324 /nfs/dbraw/zinc/01/93/24/1199019324.db2.gz BPOHVRCHVZCRLE-CHWSQXEVSA-N 0 3 377.407 0.987 20 0 GCADHN COc1cccc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2)c1 ZINC000672041918 1199028970 /nfs/dbraw/zinc/02/89/70/1199028970.db2.gz VYMLOEHLQDLOOS-IRXDYDNUSA-N 0 3 386.496 0.991 20 0 GCADHN CCN(CC)C(=O)CN1CCN(C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000465718454 1199029112 /nfs/dbraw/zinc/02/91/12/1199029112.db2.gz HDGQNUWRBYKJMZ-UHFFFAOYSA-N 0 3 383.537 0.293 20 0 GCADHN COCCN1CCC(NC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000465726504 1199034175 /nfs/dbraw/zinc/03/41/75/1199034175.db2.gz QNBZAFOSTYJPPQ-OAHLLOKOSA-N 0 3 381.521 0.092 20 0 GCADHN C[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000542772807 1199036660 /nfs/dbraw/zinc/03/66/60/1199036660.db2.gz GZOVSAIMLQVYJR-LBPRGKRZSA-N 0 3 399.430 0.800 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)nc1 ZINC000656022223 1199061976 /nfs/dbraw/zinc/06/19/76/1199061976.db2.gz VXAALHPAPRYJHF-QGZVFWFLSA-N 0 3 383.452 0.971 20 0 GCADHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000542813856 1199064076 /nfs/dbraw/zinc/06/40/76/1199064076.db2.gz OKLDAZSMTYDCPP-GDBMZVCRSA-N 0 3 386.518 0.059 20 0 GCADHN NC(=O)COc1cccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000265730494 1199069399 /nfs/dbraw/zinc/06/93/99/1199069399.db2.gz BFWVTRCPQVZCNN-UHFFFAOYSA-N 0 3 388.468 0.966 20 0 GCADHN COC(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000542843097 1199075530 /nfs/dbraw/zinc/07/55/30/1199075530.db2.gz OWVORLWPISLCMT-CYBMUJFWSA-N 0 3 394.447 0.551 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000542863404 1199080041 /nfs/dbraw/zinc/08/00/41/1199080041.db2.gz OGSPQPCRMGXVSC-UHFFFAOYSA-N 0 3 382.486 0.409 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000465842456 1199081385 /nfs/dbraw/zinc/08/13/85/1199081385.db2.gz MMNIPPUQEMLNQY-MSOLQXFVSA-N 0 3 395.548 0.435 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cn(C)c1=O ZINC000542877181 1199085612 /nfs/dbraw/zinc/08/56/12/1199085612.db2.gz OKYNEVRHXNCMCO-QGZVFWFLSA-N 0 3 389.500 0.259 20 0 GCADHN CC(C)[C@H](CNC(=O)NC1CCN(CC(=O)N(C)C)CC1)N1CCN(C)CC1 ZINC000109393215 1199096659 /nfs/dbraw/zinc/09/66/59/1199096659.db2.gz JABWTGAOPOUYCZ-SFHVURJKSA-N 0 3 396.580 0.110 20 0 GCADHN COC[C@H]1CCCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672111296 1199109681 /nfs/dbraw/zinc/10/96/81/1199109681.db2.gz FEBGGYCIACVAFF-DLBZAZTESA-N 0 3 396.532 0.320 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)CCOC(C)(C)C ZINC000672111361 1199111700 /nfs/dbraw/zinc/11/17/00/1199111700.db2.gz XBPHAYDJFCARAK-HNNXBMFYSA-N 0 3 384.521 0.319 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)CCOC(C)(C)C ZINC000672111362 1199111816 /nfs/dbraw/zinc/11/18/16/1199111816.db2.gz XBPHAYDJFCARAK-OAHLLOKOSA-N 0 3 384.521 0.319 20 0 GCADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCCO[C@@H](CNCc2cccnc2)C1 ZINC001078434528 1199129226 /nfs/dbraw/zinc/12/92/26/1199129226.db2.gz KEOYEXZMPNRHIG-CADBVGFASA-N 0 3 375.469 0.840 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)C1 ZINC000265759569 1199131460 /nfs/dbraw/zinc/13/14/60/1199131460.db2.gz QSRMHSNNBZTWML-QGZVFWFLSA-N 0 3 386.500 0.882 20 0 GCADHN Cn1ccnc1N1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000265764297 1199139340 /nfs/dbraw/zinc/13/93/40/1199139340.db2.gz MNAPHUZVKSLKPK-UHFFFAOYSA-N 0 3 381.440 0.765 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000265767962 1199145276 /nfs/dbraw/zinc/14/52/76/1199145276.db2.gz DZRFFNRGUIRFQE-CQSZACIVSA-N 0 3 376.457 0.411 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[C@H](N(C)Cc3ccccc3)C1)CC2 ZINC000672169027 1199151173 /nfs/dbraw/zinc/15/11/73/1199151173.db2.gz HGGVUZKCCQOCOW-MSOLQXFVSA-N 0 3 396.495 0.750 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)c3cccn3C)CC2)n1 ZINC000672166589 1199151514 /nfs/dbraw/zinc/15/15/14/1199151514.db2.gz CHFZZXJSEFHBDP-UHFFFAOYSA-N 0 3 388.476 0.397 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1=O ZINC000499482798 1199154567 /nfs/dbraw/zinc/15/45/67/1199154567.db2.gz FCZJIJUIPGIPMD-BQFCYCMXSA-N 0 3 388.468 0.895 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000265779051 1199173975 /nfs/dbraw/zinc/17/39/75/1199173975.db2.gz GPKASWRIVZWFGR-AWEZNQCLSA-N 0 3 390.484 0.720 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000656353352 1199186397 /nfs/dbraw/zinc/18/63/97/1199186397.db2.gz AJIYOHUFHBLRPP-QZTJIDSGSA-N 0 3 378.517 0.443 20 0 GCADHN CC(C)Oc1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)nn1 ZINC000499509666 1199186653 /nfs/dbraw/zinc/18/66/53/1199186653.db2.gz RVCPYCDBQRZMCE-UHFFFAOYSA-N 0 3 380.493 0.775 20 0 GCADHN CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@]2(CCOC2)O1 ZINC000656358647 1199191368 /nfs/dbraw/zinc/19/13/68/1199191368.db2.gz SSKPLYZOQPRJOK-GUXCAODWSA-N 0 3 379.501 0.916 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000656360224 1199192073 /nfs/dbraw/zinc/19/20/73/1199192073.db2.gz SHDSHSLEIDPBAD-RCCFBDPRSA-N 0 3 378.517 0.443 20 0 GCADHN CN1CCN(CCCCNC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000112107091 1199192149 /nfs/dbraw/zinc/19/21/49/1199192149.db2.gz XHVVIHWQRNRPNO-ZDUSSCGKSA-N 0 3 379.427 0.476 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000672305219 1199196609 /nfs/dbraw/zinc/19/66/09/1199196609.db2.gz GPYGCFMTZDSRFL-CABCVRRESA-N 0 3 375.448 0.516 20 0 GCADHN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672305338 1199196676 /nfs/dbraw/zinc/19/66/76/1199196676.db2.gz LFAMRGPJBVISCU-SJORKVTESA-N 0 3 392.544 0.988 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCN1CCOC ZINC000672304133 1199198394 /nfs/dbraw/zinc/19/83/94/1199198394.db2.gz IRNIIYXTCSGAJJ-ROUUACIJSA-N 0 3 380.533 0.546 20 0 GCADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672307359 1199199300 /nfs/dbraw/zinc/19/93/00/1199199300.db2.gz VKFZDYQVNRJWOZ-HOTGVXAUSA-N 0 3 399.495 0.081 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C(=O)N1c1ccccc1 ZINC000672308653 1199199540 /nfs/dbraw/zinc/19/95/40/1199199540.db2.gz WULUBNUTCHKPDC-HFTRVMKXSA-N 0 3 384.480 0.897 20 0 GCADHN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2=O)cc1 ZINC000672306823 1199200052 /nfs/dbraw/zinc/20/00/52/1199200052.db2.gz AEEIWOBUCUUERQ-OALUTQOASA-N 0 3 398.507 0.813 20 0 GCADHN Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cc1 ZINC000672306825 1199200345 /nfs/dbraw/zinc/20/03/45/1199200345.db2.gz AEEIWOBUCUUERQ-RTBURBONSA-N 0 3 398.507 0.813 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000672311154 1199202076 /nfs/dbraw/zinc/20/20/76/1199202076.db2.gz YESQLDLIGMKKSC-QWHCGFSZSA-N 0 3 390.406 0.256 20 0 GCADHN C[C@@H](N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1)C(F)(F)F ZINC000672310551 1199203328 /nfs/dbraw/zinc/20/33/28/1199203328.db2.gz YHMXXBSZNGCVCT-TZMCWYRMSA-N 0 3 376.423 0.682 20 0 GCADHN CCN(C)C(C)(C)C(=O)NCC1CC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001486612349 1199206791 /nfs/dbraw/zinc/20/67/91/1199206791.db2.gz PCZHKQQUQKCZDS-SSNHOHEISA-N 0 3 381.517 0.779 20 0 GCADHN CO[C@H](CS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000451158150 1199209182 /nfs/dbraw/zinc/20/91/82/1199209182.db2.gz JUTBENWHFONUGM-IAGOWNOFSA-N 0 3 383.514 0.881 20 0 GCADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000672358019 1199215889 /nfs/dbraw/zinc/21/58/89/1199215889.db2.gz NXFNFBGSGSEDGV-RTBURBONSA-N 0 3 388.512 0.556 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)C1 ZINC000672367233 1199220480 /nfs/dbraw/zinc/22/04/80/1199220480.db2.gz DLJFTRODCPNPNY-OALUTQOASA-N 0 3 389.496 0.889 20 0 GCADHN COc1ccnc(N2CCN(C(=O)NC[C@@H](C)CN3CCOCC3)CC2)c1 ZINC000265797844 1199232751 /nfs/dbraw/zinc/23/27/51/1199232751.db2.gz MVTNYVWXNAKIBZ-MRXNPFEDSA-N 0 3 377.489 0.890 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCc2csc(N(C)C)n2)CC1 ZINC000672442780 1199234740 /nfs/dbraw/zinc/23/47/40/1199234740.db2.gz QSYQGAZRDIHVOX-UHFFFAOYSA-N 0 3 397.545 0.831 20 0 GCADHN CN(C)c1ncc(CNC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)n1C ZINC000672524859 1199258051 /nfs/dbraw/zinc/25/80/51/1199258051.db2.gz NTLHHQQIWPLILI-QGZVFWFLSA-N 0 3 398.511 0.835 20 0 GCADHN Cc1cc(CNC(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)n[nH]1 ZINC000672540989 1199261145 /nfs/dbraw/zinc/26/11/45/1199261145.db2.gz IIRYZARLPNDOIG-UHFFFAOYSA-N 0 3 392.504 0.077 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC000921992434 1199263996 /nfs/dbraw/zinc/26/39/96/1199263996.db2.gz VUGUJTJHXBNDNP-OIISXLGYSA-N 0 3 380.514 0.827 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)N(C)Cc1ccccc1 ZINC000672588504 1199274828 /nfs/dbraw/zinc/27/48/28/1199274828.db2.gz RCGWVXMKODJEEY-SOLBZPMBSA-N 0 3 376.501 0.458 20 0 GCADHN COC1(CNC(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CCOCC1 ZINC000672588236 1199275045 /nfs/dbraw/zinc/27/50/45/1199275045.db2.gz WZOWMYBAOLBMTD-MRXNPFEDSA-N 0 3 377.485 0.935 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000672625836 1199284060 /nfs/dbraw/zinc/28/40/60/1199284060.db2.gz FKLBZUOGCGEDHV-CHWSQXEVSA-N 0 3 390.406 0.353 20 0 GCADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000672635074 1199287776 /nfs/dbraw/zinc/28/77/76/1199287776.db2.gz SJSLSPJJAVHWLY-CQSZACIVSA-N 0 3 382.530 0.201 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC(C(=O)NCCOC)CC1 ZINC000672655072 1199310267 /nfs/dbraw/zinc/31/02/67/1199310267.db2.gz XRJLEDGPCHVSHX-KRWDZBQOSA-N 0 3 396.532 0.368 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000672693963 1199314660 /nfs/dbraw/zinc/31/46/60/1199314660.db2.gz IFWKXAQKYMUSJP-DLBZAZTESA-N 0 3 395.548 0.036 20 0 GCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CC)CN2CCCC2)CC1 ZINC000672693965 1199315060 /nfs/dbraw/zinc/31/50/60/1199315060.db2.gz IFWKXAQKYMUSJP-IRXDYDNUSA-N 0 3 395.548 0.036 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000672692391 1199317527 /nfs/dbraw/zinc/31/75/27/1199317527.db2.gz CEFVBLAPHVGQCV-HNNXBMFYSA-N 0 3 379.530 0.778 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000672692611 1199317697 /nfs/dbraw/zinc/31/76/97/1199317697.db2.gz GRSFBGUYRKTSMN-QGZVFWFLSA-N 0 3 388.516 0.733 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000672698135 1199318863 /nfs/dbraw/zinc/31/88/63/1199318863.db2.gz KTAIYPDUOMBGSO-MRXNPFEDSA-N 0 3 387.484 0.357 20 0 GCADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCCCN(C)S(C)(=O)=O)cc1 ZINC000672735957 1199324253 /nfs/dbraw/zinc/32/42/53/1199324253.db2.gz VFQZCWVDLLJTOK-MRXNPFEDSA-N 0 3 386.518 0.879 20 0 GCADHN CC(C)c1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)on1 ZINC000672734675 1199324611 /nfs/dbraw/zinc/32/46/11/1199324611.db2.gz LERDTSAYGBYAEC-MRXNPFEDSA-N 0 3 391.472 0.179 20 0 GCADHN CCc1cccc(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000077848427 1199335309 /nfs/dbraw/zinc/33/53/09/1199335309.db2.gz LOUOWWCXKPKSEV-UHFFFAOYSA-N 0 3 376.501 0.694 20 0 GCADHN CC1(C)CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000672903782 1199362684 /nfs/dbraw/zinc/36/26/84/1199362684.db2.gz MBUKWHIDSCUKPN-INIZCTEOSA-N 0 3 378.517 0.838 20 0 GCADHN C[C@H](C[C@H](C)O)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000543053674 1199407465 /nfs/dbraw/zinc/40/74/65/1199407465.db2.gz ABHWAGKBIQUNNY-KGLIPLIRSA-N 0 3 390.484 0.598 20 0 GCADHN CN(C)CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C1CC1 ZINC000673084278 1199414420 /nfs/dbraw/zinc/41/44/20/1199414420.db2.gz PFAORITWBMPUEF-UHFFFAOYSA-N 0 3 384.502 0.212 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@H](C)NCC(=O)NCC(F)(F)F)CC1 ZINC000543065403 1199415209 /nfs/dbraw/zinc/41/52/09/1199415209.db2.gz MBVRCNFFWYLDDH-NSHDSACASA-N 0 3 381.395 0.835 20 0 GCADHN C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000673132418 1199436784 /nfs/dbraw/zinc/43/67/84/1199436784.db2.gz UANXOZZZMPFBHJ-NVXWUHKLSA-N 0 3 397.545 0.811 20 0 GCADHN CCN1CCN(CCNC(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1 ZINC000543090511 1199447735 /nfs/dbraw/zinc/44/77/35/1199447735.db2.gz PSRYANCNEOLMCG-UHFFFAOYSA-N 0 3 391.497 0.250 20 0 GCADHN COC1CCN(CCNC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000673170946 1199462329 /nfs/dbraw/zinc/46/23/29/1199462329.db2.gz WJQDIWQBDWFSJQ-AWEZNQCLSA-N 0 3 382.427 0.660 20 0 GCADHN C[C@@H](CNC(=O)N1CCC(c2ccnn2CCO)CC1)CN1CCN(C)CC1 ZINC000466136637 1199490253 /nfs/dbraw/zinc/49/02/53/1199490253.db2.gz JTYWEZOCNVJQPL-KRWDZBQOSA-N 0 3 392.548 0.648 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C3)CC1 ZINC001003346160 1199503244 /nfs/dbraw/zinc/50/32/44/1199503244.db2.gz KFYCPQDDIFSNER-HZMVEIRTSA-N 0 3 376.501 0.445 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000673262284 1199506784 /nfs/dbraw/zinc/50/67/84/1199506784.db2.gz RHTQZYHJYRMATI-KZNAEPCWSA-N 0 3 390.528 0.838 20 0 GCADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CN(C(C)=O)C1 ZINC001003355070 1199507526 /nfs/dbraw/zinc/50/75/26/1199507526.db2.gz LBYRIAPDFHNPQX-BDXSIMOUSA-N 0 3 376.501 0.587 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1nnc[nH]1 ZINC001003370893 1199512072 /nfs/dbraw/zinc/51/20/72/1199512072.db2.gz XGOKRZKXUIXKSR-OIISXLGYSA-N 0 3 382.468 0.971 20 0 GCADHN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000673306596 1199531228 /nfs/dbraw/zinc/53/12/28/1199531228.db2.gz VISGTMOCNCFUGQ-IRXDYDNUSA-N 0 3 376.501 0.590 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000673322215 1199542543 /nfs/dbraw/zinc/54/25/43/1199542543.db2.gz FLUBIEXNHFLHCK-ATZDWAIDSA-N 0 3 386.496 0.893 20 0 GCADHN C[C@@H]1COCCCN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000673330164 1199547467 /nfs/dbraw/zinc/54/74/67/1199547467.db2.gz NMYSIPHJZNMMEE-MRXNPFEDSA-N 0 3 389.496 0.897 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc1S(=O)(=O)NC1CC1 ZINC000265832790 1199551325 /nfs/dbraw/zinc/55/13/25/1199551325.db2.gz ORYIGKBLNXRIGM-LLVKDONJSA-N 0 3 398.485 0.141 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCC(=O)N2)C3)C1 ZINC001003464256 1199551913 /nfs/dbraw/zinc/55/19/13/1199551913.db2.gz GKYUVBSYAAUANT-FPCVCCKLSA-N 0 3 376.501 0.635 20 0 GCADHN CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@@H]1CC=CCC1 ZINC000543172017 1199556854 /nfs/dbraw/zinc/55/68/54/1199556854.db2.gz IKBXXHVUOHYVOC-GOSISDBHSA-N 0 3 378.517 0.278 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCN(C)C2=O)C3)CCC1 ZINC001003468369 1199558014 /nfs/dbraw/zinc/55/80/14/1199558014.db2.gz NNFXUERRFOMEHW-JJXSEGSLSA-N 0 3 376.501 0.587 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCN(C)C1=O)C2)C1CCC1 ZINC001003470131 1199558743 /nfs/dbraw/zinc/55/87/43/1199558743.db2.gz YUKGXHFJEAVSHK-SVGFKBNWSA-N 0 3 376.501 0.587 20 0 GCADHN CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ccncc13)C2)C1CC1 ZINC001003501147 1199568336 /nfs/dbraw/zinc/56/83/36/1199568336.db2.gz WLXVNHJTFFMFPM-KBEGMRNHSA-N 0 3 382.468 0.931 20 0 GCADHN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000673356868 1199575019 /nfs/dbraw/zinc/57/50/19/1199575019.db2.gz HJUSBXGZDNULLI-ZWKOTPCHSA-N 0 3 390.528 0.981 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn4ncccc24)C3)C1 ZINC001003522535 1199581638 /nfs/dbraw/zinc/58/16/38/1199581638.db2.gz SJMDRFACEUTCOV-MMNPAVHPSA-N 0 3 382.468 0.933 20 0 GCADHN O=C(CCN1CCN(C[C@H]2CCCO2)CC1)N1CCN(c2ccccn2)CC1 ZINC000068520532 1199614488 /nfs/dbraw/zinc/61/44/88/1199614488.db2.gz HAQOIPONBIUTJX-LJQANCHMSA-N 0 3 387.528 0.917 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccn3cncc3c2)O1 ZINC001003703481 1199639134 /nfs/dbraw/zinc/63/91/34/1199639134.db2.gz GFMOBEOUPHYMAV-NPIHVYMDSA-N 0 3 397.479 0.915 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000673437743 1199645003 /nfs/dbraw/zinc/64/50/03/1199645003.db2.gz HRFUOOGBZTXDEB-KDOFPFPSSA-N 0 3 380.489 0.545 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc(OC)c1 ZINC000265845430 1199647005 /nfs/dbraw/zinc/64/70/05/1199647005.db2.gz QTQRXXWJBSXDDX-CQSZACIVSA-N 0 3 378.473 0.642 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc(OC)c1 ZINC000265845427 1199647049 /nfs/dbraw/zinc/64/70/49/1199647049.db2.gz QTQRXXWJBSXDDX-AWEZNQCLSA-N 0 3 378.473 0.642 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)C2)N(C)C ZINC001003769983 1199657252 /nfs/dbraw/zinc/65/72/52/1199657252.db2.gz SJCJOGFZFCKAHB-RBGFHDKUSA-N 0 3 379.505 0.364 20 0 GCADHN CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(N(C)C)CCC1 ZINC001003799955 1199670958 /nfs/dbraw/zinc/67/09/58/1199670958.db2.gz OPPKGWMFPAPIAX-WCXIOVBPSA-N 0 3 378.517 0.440 20 0 GCADHN Cc1nnc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@@H]3CCCN3C)cn12 ZINC001003810841 1199674268 /nfs/dbraw/zinc/67/42/68/1199674268.db2.gz XNOHMOARHRXKSV-NCOADZHNSA-N 0 3 382.468 0.994 20 0 GCADHN Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2nnc[n-]2)ccc2c[nH+]cn21 ZINC001003807415 1199675646 /nfs/dbraw/zinc/67/56/46/1199675646.db2.gz DKOSZHFQGVAUOQ-WQVCFCJDSA-N 0 3 379.424 0.865 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCN2CCCCC2)[C@H](C)O)cc1 ZINC000499735527 1199680256 /nfs/dbraw/zinc/68/02/56/1199680256.db2.gz SDEKKQPAECZUCW-RDJZCZTQSA-N 0 3 383.514 0.625 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000673471370 1199688586 /nfs/dbraw/zinc/68/85/86/1199688586.db2.gz MLLFVBQMXNCSFM-IRXDYDNUSA-N 0 3 396.532 0.319 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000673471368 1199688812 /nfs/dbraw/zinc/68/88/12/1199688812.db2.gz MLLFVBQMXNCSFM-IAGOWNOFSA-N 0 3 396.532 0.319 20 0 GCADHN NC(=O)C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)CC1 ZINC001003898906 1199701563 /nfs/dbraw/zinc/70/15/63/1199701563.db2.gz DAVNGTGXZNUJQH-YWWDTZIBSA-N 0 3 376.501 0.622 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O ZINC000069527914 1199702988 /nfs/dbraw/zinc/70/29/88/1199702988.db2.gz MFCAHBJZZCJZHI-CRAIPNDOSA-N 0 3 387.484 0.974 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CN1C1CC1 ZINC000130212099 1199721939 /nfs/dbraw/zinc/72/19/39/1199721939.db2.gz JJPGTENISJHVKO-IAGOWNOFSA-N 0 3 377.533 0.951 20 0 GCADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673511626 1199723541 /nfs/dbraw/zinc/72/35/41/1199723541.db2.gz UNUXZDHRLWEYIV-RCCFBDPRSA-N 0 3 388.447 0.572 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673512581 1199724784 /nfs/dbraw/zinc/72/47/84/1199724784.db2.gz DXOYGXCCKKKUNP-IRXDYDNUSA-N 0 3 395.525 0.998 20 0 GCADHN CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673516802 1199726222 /nfs/dbraw/zinc/72/62/22/1199726222.db2.gz XTACZTQQNMZWJK-HZPDHXFCSA-N 0 3 381.498 0.195 20 0 GCADHN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673517940 1199726232 /nfs/dbraw/zinc/72/62/32/1199726232.db2.gz PDOCQHSYEMODFN-LSDHHAIUSA-N 0 3 386.452 0.419 20 0 GCADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673516777 1199726303 /nfs/dbraw/zinc/72/63/03/1199726303.db2.gz SMLLETPDEKNAJF-JKSUJKDBSA-N 0 3 381.498 0.195 20 0 GCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC000673518355 1199726323 /nfs/dbraw/zinc/72/63/23/1199726323.db2.gz WUYAAUUHFYPPFU-CABCVRRESA-N 0 3 381.498 0.574 20 0 GCADHN CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673516805 1199726380 /nfs/dbraw/zinc/72/63/80/1199726380.db2.gz XTACZTQQNMZWJK-JKSUJKDBSA-N 0 3 381.498 0.195 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000673519373 1199727152 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1200192059 /nfs/dbraw/zinc/19/20/59/1200192059.db2.gz SHIGIHDNIDHYPI-LUKYLMHMSA-N 0 3 379.501 0.629 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000674192794 1200193088 /nfs/dbraw/zinc/19/30/88/1200193088.db2.gz KRZMNVYYJOULSJ-AWEZNQCLSA-N 0 3 394.497 0.442 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000171224559 1200204409 /nfs/dbraw/zinc/20/44/09/1200204409.db2.gz BAZCSMIZRPLCPU-OAHLLOKOSA-N 0 3 385.472 0.348 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000171224553 1200204433 /nfs/dbraw/zinc/20/44/33/1200204433.db2.gz BAZCSMIZRPLCPU-HNNXBMFYSA-N 0 3 385.472 0.348 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000140308504 1200211834 /nfs/dbraw/zinc/21/18/34/1200211834.db2.gz BNMMTCKRRMXKMM-MRXNPFEDSA-N 0 3 383.537 0.339 20 0 GCADHN CN(C)CCN(C)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000674282093 1200215844 /nfs/dbraw/zinc/21/58/44/1200215844.db2.gz BIKWMGOIMRXGAC-UHFFFAOYSA-N 0 3 384.506 0.189 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000140385613 1200216496 /nfs/dbraw/zinc/21/64/96/1200216496.db2.gz PHIRIPGEKUXGKY-UHFFFAOYSA-N 0 3 390.550 0.601 20 0 GCADHN COC1CCN(CCNC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000674316978 1200216706 /nfs/dbraw/zinc/21/67/06/1200216706.db2.gz NWSHMXCOUIVNOF-UHFFFAOYSA-N 0 3 380.493 0.448 20 0 GCADHN COC1CCN(CCNC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000674314223 1200218944 /nfs/dbraw/zinc/21/89/44/1200218944.db2.gz COUNGXWJQWXQPZ-CQSZACIVSA-N 0 3 399.517 0.783 20 0 GCADHN COC1CCN(CCNC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000674326584 1200221092 /nfs/dbraw/zinc/22/10/92/1200221092.db2.gz IMLAAUHRBQWORL-ZDUSSCGKSA-N 0 3 384.502 0.805 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)NCCN2CCC(OC)CC2)cc1 ZINC000674328112 1200221880 /nfs/dbraw/zinc/22/18/80/1200221880.db2.gz KAKNUYQIQVSNHJ-UHFFFAOYSA-N 0 3 378.473 0.835 20 0 GCADHN COC1CCN(CCNC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000674331696 1200224793 /nfs/dbraw/zinc/22/47/93/1200224793.db2.gz IEICTIRFSWVSHS-OAHLLOKOSA-N 0 3 378.477 0.244 20 0 GCADHN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC)n2CCN2CC=CCC2)C1 ZINC001746540863 1200235435 /nfs/dbraw/zinc/23/54/35/1200235435.db2.gz VWJFXUXBHWRNDN-HNNXBMFYSA-N 0 3 382.534 0.620 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C3)CCC1 ZINC001005271718 1200235679 /nfs/dbraw/zinc/23/56/79/1200235679.db2.gz LKYSHNFLMHMWDB-CUYVQJCZSA-N 0 3 376.501 0.635 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000171982148 1200249834 /nfs/dbraw/zinc/24/98/34/1200249834.db2.gz JEKRASYTKGCIFM-CQSZACIVSA-N 0 3 382.530 0.646 20 0 GCADHN Cc1nn[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C(C)C)CCO1)C2 ZINC001005337641 1200259736 /nfs/dbraw/zinc/25/97/36/1200259736.db2.gz GSLDICZWTRQCQF-APIJFGDWSA-N 0 3 376.461 0.084 20 0 GCADHN CC(=O)NC[C@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000172139148 1200261096 /nfs/dbraw/zinc/26/10/96/1200261096.db2.gz VCTAHXSGYHBTJC-FQEVSTJZSA-N 0 3 388.512 0.952 20 0 GCADHN CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000946819788 1200263693 /nfs/dbraw/zinc/26/36/93/1200263693.db2.gz JRDBLRDUQFKZSS-YFHUEUNASA-N 0 3 389.500 0.350 20 0 GCADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CCN2C1=O ZINC000674594282 1200282994 /nfs/dbraw/zinc/28/29/94/1200282994.db2.gz HTDSHMCQMNWSOT-SJORKVTESA-N 0 3 385.468 0.789 20 0 GCADHN C[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)n1nnc(-c2ccccc2)n1 ZINC000173058606 1200306560 /nfs/dbraw/zinc/30/65/60/1200306560.db2.gz LLCQFNZYQYTRTK-MRXNPFEDSA-N 0 3 397.483 0.668 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000674731629 1200312887 /nfs/dbraw/zinc/31/28/87/1200312887.db2.gz GJXZENGYFINOJB-YQQAZPJKSA-N 0 3 382.505 0.119 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000674856827 1200327703 /nfs/dbraw/zinc/32/77/03/1200327703.db2.gz ASSGGCBDCNAYIT-UHFFFAOYSA-N 0 3 381.454 0.896 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)C2)N(C)C ZINC001005537097 1200344843 /nfs/dbraw/zinc/34/48/43/1200344843.db2.gz BSBUBAMZHOGAHN-VDERGJSUSA-N 0 3 375.473 0.562 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000173549559 1200349639 /nfs/dbraw/zinc/34/96/39/1200349639.db2.gz HQWLLCGYORTKIF-CQSZACIVSA-N 0 3 387.550 0.750 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000675327572 1200376107 /nfs/dbraw/zinc/37/61/07/1200376107.db2.gz PRSCCUWDMMJZHO-INIZCTEOSA-N 0 3 397.497 0.222 20 0 GCADHN COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1OCC(N)=O ZINC000658263572 1200378451 /nfs/dbraw/zinc/37/84/51/1200378451.db2.gz ZTUWUCJYAHAYKB-ZDUSSCGKSA-N 0 3 392.456 0.487 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000174621419 1200400868 /nfs/dbraw/zinc/40/08/68/1200400868.db2.gz RCXXWPUHCNGQHV-QGZVFWFLSA-N 0 3 394.541 0.739 20 0 GCADHN CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CCN(CCc2cnn(C)c2)CC1 ZINC001005767894 1200456087 /nfs/dbraw/zinc/45/60/87/1200456087.db2.gz JYKHBQRFGGQODD-YTQUADARSA-N 0 3 376.501 0.937 20 0 GCADHN CC(C)OCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001129060913 1200459322 /nfs/dbraw/zinc/45/93/22/1200459322.db2.gz XLDCVMCJLBNQBC-AHCXZYCDSA-N 0 3 387.488 0.962 20 0 GCADHN CC(C)CCCN1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129065530 1200461623 /nfs/dbraw/zinc/46/16/23/1200461623.db2.gz XVLJYMNJNOTYJU-ZJPYXAASSA-N 0 3 378.521 0.775 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 ZINC000675840210 1200463376 /nfs/dbraw/zinc/46/33/76/1200463376.db2.gz PYIVYTPTFRJKRZ-OAHLLOKOSA-N 0 3 377.420 0.695 20 0 GCADHN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000675916315 1200467882 /nfs/dbraw/zinc/46/78/82/1200467882.db2.gz GSAGGDIPEVRHKU-INIZCTEOSA-N 0 3 394.497 0.021 20 0 GCADHN Cn1cc(-c2cncc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)c2)cn1 ZINC000675917028 1200468614 /nfs/dbraw/zinc/46/86/14/1200468614.db2.gz SGNXDEXBYAMCER-GOSISDBHSA-N 0 3 382.468 0.861 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1C ZINC000675927978 1200473612 /nfs/dbraw/zinc/47/36/12/1200473612.db2.gz PQIYBRKMXYCVEN-AWEZNQCLSA-N 0 3 394.497 0.442 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCOC2(CCOCC2)C1 ZINC000676048734 1200482060 /nfs/dbraw/zinc/48/20/60/1200482060.db2.gz RWGBGWLJPVXZAZ-INIZCTEOSA-N 0 3 382.505 0.520 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000676279936 1200530653 /nfs/dbraw/zinc/53/06/53/1200530653.db2.gz RAJXBJOXSIUERC-SUMWQHHRSA-N 0 3 378.473 0.531 20 0 GCADHN C[C@@]1(c2ccc(C(=O)NC3CCN([C@H]4CCOC4)CC3)cc2)NC(=O)NC1=O ZINC000676340752 1200544144 /nfs/dbraw/zinc/54/41/44/1200544144.db2.gz FOYMYXYJNJHAFC-JXFKEZNVSA-N 0 3 386.452 0.724 20 0 GCADHN O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676344589 1200545677 /nfs/dbraw/zinc/54/56/77/1200545677.db2.gz PQZNDLSFBKBYJC-OAHLLOKOSA-N 0 3 378.473 0.611 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000676394322 1200554325 /nfs/dbraw/zinc/55/43/25/1200554325.db2.gz YXBQDSWYWPEPHS-KRWDZBQOSA-N 0 3 386.452 0.722 20 0 GCADHN O=C(CNC(=O)NCc1ccc(F)cc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000676394029 1200554474 /nfs/dbraw/zinc/55/44/74/1200554474.db2.gz WLKHSKIXBSPBHA-KRWDZBQOSA-N 0 3 378.448 0.994 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000676545488 1200568806 /nfs/dbraw/zinc/56/88/06/1200568806.db2.gz KMUDPKQFPDEHFR-MRXNPFEDSA-N 0 3 399.499 0.407 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2C)CC1 ZINC000282526325 1200592226 /nfs/dbraw/zinc/59/22/26/1200592226.db2.gz RFDIHBWTUGXGEZ-UHFFFAOYSA-N 0 3 388.520 0.667 20 0 GCADHN CCCCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@@H](n2ccnn2)C1 ZINC001129262496 1200593323 /nfs/dbraw/zinc/59/33/23/1200593323.db2.gz QSENZSNMDXIQPB-TWMKSMIVSA-N 0 3 392.504 0.446 20 0 GCADHN CC[C@H](C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)C ZINC001062300876 1200596081 /nfs/dbraw/zinc/59/60/81/1200596081.db2.gz FWQPGCDOSGKDSJ-IGKNDFSCSA-N 0 3 381.517 0.875 20 0 GCADHN CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)Nc1nc2n(n1)CCCC2 ZINC000453636492 1200628686 /nfs/dbraw/zinc/62/86/86/1200628686.db2.gz LIEUXWNZWJMNGU-UHFFFAOYSA-N 0 3 398.511 1.576 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000440264042 1200659239 /nfs/dbraw/zinc/65/92/39/1200659239.db2.gz DDMWMGGNQXXGRW-UHFFFAOYSA-N 0 3 382.534 0.870 20 0 GCADHN CC(C)(C)c1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)no1 ZINC000503630171 1200664881 /nfs/dbraw/zinc/66/48/81/1200664881.db2.gz RUGORPBUFCZVQV-UHFFFAOYSA-N 0 3 391.472 0.677 20 0 GCADHN CNC(=O)Cn1nc(NC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1C ZINC000432707356 1200706596 /nfs/dbraw/zinc/70/65/96/1200706596.db2.gz CTMVQFRSUQPLRU-LPHOPBHVSA-N 0 3 399.499 1.489 20 0 GCADHN NC(=O)c1cn(C2CCN(C[C@H](O)COc3cccc4[nH]ccc43)CC2)nn1 ZINC000625806026 1200715084 /nfs/dbraw/zinc/71/50/84/1200715084.db2.gz APLXNRVEWLOLDB-AWEZNQCLSA-N 0 3 384.440 0.935 20 0 GCADHN CCCN(C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@@H]1CCN(C)C1 ZINC000646276363 1200844552 /nfs/dbraw/zinc/84/45/52/1200844552.db2.gz FNOLAORCLRXSFT-OAHLLOKOSA-N 0 3 378.477 0.690 20 0 GCADHN O=C(Nc1ccn(CCN2CCOCC2)n1)Nc1ccc2c(c1)CNCCO2 ZINC000570664974 1200879093 /nfs/dbraw/zinc/87/90/93/1200879093.db2.gz SQPLKJLJRYKAJY-UHFFFAOYSA-N 0 3 386.456 1.341 20 0 GCADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC[C@@]2(O)CN3CCC2CC3)no1 ZINC000552025183 1200889078 /nfs/dbraw/zinc/88/90/78/1200889078.db2.gz CDUBHELDVAFGFR-SJKOYZFVSA-N 0 3 382.486 0.616 20 0 GCADHN COC(=O)[C@H]1CCN(CC(=O)N2CCN(c3cnccn3)CC2)[C@H]1C(C)C ZINC000429365813 1200901020 /nfs/dbraw/zinc/90/10/20/1200901020.db2.gz JUUCBIFSBLMSON-YJBOKZPZSA-N 0 3 375.473 0.645 20 0 GCADHN Cn1cnc2c1nccc2C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001006004310 1200915649 /nfs/dbraw/zinc/91/56/49/1200915649.db2.gz KNDXOPGDZXYPLI-BMFZPTHFSA-N 0 3 382.468 0.926 20 0 GCADHN CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000625939327 1200929274 /nfs/dbraw/zinc/92/92/74/1200929274.db2.gz TTXNPGFDNSAKGA-UHFFFAOYSA-N 0 3 383.474 0.125 20 0 GCADHN COc1c(F)cc(CC(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1S(N)(=O)=O ZINC000923301725 1200937429 /nfs/dbraw/zinc/93/74/29/1200937429.db2.gz NIEGUMGRUFSTKF-OLZOCXBDSA-N 0 3 385.461 0.719 20 0 GCADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000415827479 1200942724 /nfs/dbraw/zinc/94/27/24/1200942724.db2.gz ALTAPETVORJIEE-OAHLLOKOSA-N 0 3 387.440 0.914 20 0 GCADHN CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1(C)C ZINC001487260881 1200959808 /nfs/dbraw/zinc/95/98/08/1200959808.db2.gz FBACXAMDUXVKLL-NBOOPKSLSA-N 0 3 381.517 0.731 20 0 GCADHN COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)n2)cc1 ZINC000425819632 1200973703 /nfs/dbraw/zinc/97/37/03/1200973703.db2.gz LHLPEFWCURHAQT-FUHWJXTLSA-N 0 3 397.479 1.431 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)nn1 ZINC000556514373 1200978670 /nfs/dbraw/zinc/97/86/70/1200978670.db2.gz CSUJTTNBBYMULA-UHFFFAOYSA-N 0 3 375.404 1.153 20 0 GCADHN O=C(NCCC1(O)CCOCC1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000509410242 1201035946 /nfs/dbraw/zinc/03/59/46/1201035946.db2.gz HWUFDBGLDCJJTI-HXUWFJFHSA-N 0 3 377.485 0.854 20 0 GCADHN CN(C)[C@@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)Cc1ccccc1 ZINC000565064690 1201080231 /nfs/dbraw/zinc/08/02/31/1201080231.db2.gz MRKSCJFUBYDIQM-OAHLLOKOSA-N 0 3 385.472 0.193 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)n1 ZINC000612135737 1201088819 /nfs/dbraw/zinc/08/88/19/1201088819.db2.gz CNYBQOSZPBAETF-UHFFFAOYSA-N 0 3 385.472 0.976 20 0 GCADHN CN(CCN1CCN(C(=O)C(=O)Nc2ccc(N)nc2)CC1)Cc1ccccc1 ZINC000414809623 1201108597 /nfs/dbraw/zinc/10/85/97/1201108597.db2.gz MLAOHFOBLFQEFM-UHFFFAOYSA-N 0 3 396.495 0.879 20 0 GCADHN CC(C)N1CC[C@H](NCC2(O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O ZINC000946924704 1201158177 /nfs/dbraw/zinc/15/81/77/1201158177.db2.gz JJCODZLFAKGDMA-UFYUIRFASA-N 0 3 391.512 0.362 20 0 GCADHN 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CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)COC)cc2)CC1 ZINC000737300659 1201727554 /nfs/dbraw/zinc/72/75/54/1201727554.db2.gz KRKDXKOWLAAXQA-IBGZPJMESA-N 0 3 378.473 0.281 20 0 GCADHN CCOc1ccc(-c2nnn(CN3CCN(C(=O)CN4CCCC4)CC3)n2)cc1 ZINC000738155172 1201734879 /nfs/dbraw/zinc/73/48/79/1201734879.db2.gz CNGSQVJGJANAQB-UHFFFAOYSA-N 0 3 399.499 0.936 20 0 GCADHN CN(CCN1C(=O)NC(C)(C)C1=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738327024 1201736593 /nfs/dbraw/zinc/73/65/93/1201736593.db2.gz UDNUEWOSLRWICK-UHFFFAOYSA-N 0 3 397.520 0.801 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCCN(C[C@H]3CCCO3)CC2)CC1 ZINC000738318187 1201736887 /nfs/dbraw/zinc/73/68/87/1201736887.db2.gz PNJKQICZLSVFPN-ZWKOTPCHSA-N 0 3 396.532 0.862 20 0 GCADHN COc1cccc(COC[C@@H](O)CN2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000740423125 1201747340 /nfs/dbraw/zinc/74/73/40/1201747340.db2.gz BWZUMXGGWULTHP-CVEARBPZSA-N 0 3 387.502 0.078 20 0 GCADHN C[C@H]1CN(CCNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CCO1 ZINC000741408106 1201778460 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CC(=O)N1CCC[C@@H](CNc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)C1 ZINC001168778071 1201908011 /nfs/dbraw/zinc/90/80/11/1201908011.db2.gz QZPJOXJCCVXUKQ-INIZCTEOSA-N 0 3 395.529 0.834 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000187391169 1201908259 /nfs/dbraw/zinc/90/82/59/1201908259.db2.gz ALEHLUIAKCDJIH-INIZCTEOSA-N 0 3 384.484 0.953 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000746333850 1201910826 /nfs/dbraw/zinc/91/08/26/1201910826.db2.gz SROWDGHIZNROFY-GJZGRUSLSA-N 0 3 382.505 0.864 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000103121227 1201917187 /nfs/dbraw/zinc/91/71/87/1201917187.db2.gz RPGOCIBEXHKVLZ-NSHGMRRFSA-N 0 3 394.560 0.887 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)C(=O)NC)cc2)CC1 ZINC000746452005 1201923369 /nfs/dbraw/zinc/92/33/69/1201923369.db2.gz JOFNELQIYKJIEC-UHFFFAOYSA-N 0 3 389.500 0.655 20 0 GCADHN CC(C)(C)C(=O)Nc1ccc(CN2CC[C@@H](CO)C2)nc1-n1nnnc1CN ZINC001168919076 1201928576 /nfs/dbraw/zinc/92/85/76/1201928576.db2.gz VAVQKCXKMXYJGR-GFCCVEGCSA-N 0 3 388.476 0.315 20 0 GCADHN COc1ccc(CN2CC[C@H](N(C)CC(=O)N3CCOCC3)CC2=O)cc1 ZINC001168919596 1201928761 /nfs/dbraw/zinc/92/87/61/1201928761.db2.gz GGWVATGICGFWMU-KRWDZBQOSA-N 0 3 375.469 0.977 20 0 GCADHN COC(=O)CN1CCN([C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CC1 ZINC001168943569 1201929037 /nfs/dbraw/zinc/92/90/37/1201929037.db2.gz XCSBKAXCQATTTJ-QGZVFWFLSA-N 0 3 375.469 0.977 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cnc2c1CNCC2 ZINC001169190036 1201934972 /nfs/dbraw/zinc/93/49/72/1201934972.db2.gz CKCAZQUTDCOFGG-ZDUSSCGKSA-N 0 3 385.472 0.707 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001169191433 1201935042 /nfs/dbraw/zinc/93/50/42/1201935042.db2.gz NNOMLTXVLYCOIW-QLFBSQMISA-N 0 3 395.479 0.645 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@@H](F)C[C@H]1CO ZINC001169193833 1201935714 /nfs/dbraw/zinc/93/57/14/1201935714.db2.gz WFNAGPOVINNMRX-IHRRRGAJSA-N 0 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C[C@@H]1CN(c2cccc(CN(C)C[C@@H](O)C[C@@]3(O)CCOC3)c2)S(=O)(=O)C1 ZINC001169809824 1201957580 /nfs/dbraw/zinc/95/75/80/1201957580.db2.gz DIJAJVTZFXPKRF-MNEFBYGVSA-N 0 3 398.525 0.807 20 0 GCADHN CN(C)C(=O)CN1CC[C@]2(CCCN(C3CCC(S(C)(=O)=O)CC3)C2)C1=O ZINC001169879842 1201958305 /nfs/dbraw/zinc/95/83/05/1201958305.db2.gz HHSZDQIWGIDQNV-RJYAGPCLSA-N 0 3 399.557 0.745 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000766864294 1201958341 /nfs/dbraw/zinc/95/83/41/1201958341.db2.gz PXIJVMFXONLVGV-INIZCTEOSA-N 0 3 398.471 0.110 20 0 GCADHN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C3CCC(S(C)(=O)=O)CC3)C[C@@H]21 ZINC001169883214 1201958531 /nfs/dbraw/zinc/95/85/31/1201958531.db2.gz QLVUJWHEIAFGRU-BFHKSVSOSA-N 0 3 387.546 0.950 20 0 GCADHN COC(=O)N1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000766941406 1201962245 /nfs/dbraw/zinc/96/22/45/1201962245.db2.gz VCVBOXXEORLYJE-GJZGRUSLSA-N 0 3 381.477 0.165 20 0 GCADHN CCC[C@H]1CN(CC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)CCN1CCOC 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GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(=O)c1cccs1)C2 ZINC001109368175 1202028191 /nfs/dbraw/zinc/02/81/91/1202028191.db2.gz HDLBIARRZYBYBR-QPSCCSFWSA-N 0 3 381.498 0.549 20 0 GCADHN CCc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)COC)[nH]c(C)c1C(N)=O ZINC001109400776 1202038581 /nfs/dbraw/zinc/03/85/81/1202038581.db2.gz VQHFFBRICAISDU-DHMWGJHJSA-N 0 3 378.473 0.327 20 0 GCADHN CN(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C(C)(C)C)n1)C1CC1 ZINC001109406209 1202039876 /nfs/dbraw/zinc/03/98/76/1202039876.db2.gz RFOOPFSLXFNQFE-WBTNSWJXSA-N 0 3 375.521 0.990 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn(C)nc1C)C2 ZINC001109409594 1202041605 /nfs/dbraw/zinc/04/16/05/1202041605.db2.gz KRKKNPPGRZTUIQ-SQNIBIBYSA-N 0 3 377.489 0.145 20 0 GCADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnc2n1CCOC2)N(C)C ZINC001109428146 1202047014 /nfs/dbraw/zinc/04/70/14/1202047014.db2.gz PBLKMNYEGDSKMR-LLDVTBCESA-N 0 3 376.505 0.616 20 0 GCADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCOCC1)N(C)C ZINC001109428238 1202047027 /nfs/dbraw/zinc/04/70/27/1202047027.db2.gz UYRFWCYBGHDTCZ-DFEOGRTESA-N 0 3 380.533 0.589 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cc1ccc(F)cc1 ZINC001109429396 1202047089 /nfs/dbraw/zinc/04/70/89/1202047089.db2.gz XFEFCRASEPHBPI-QZWWFDLISA-N 0 3 377.460 0.962 20 0 GCADHN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000769251349 1202052538 /nfs/dbraw/zinc/05/25/38/1202052538.db2.gz DDVGBADNVKRJHZ-HUUCEWRRSA-N 0 3 386.452 0.514 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(C)c1 ZINC000769268614 1202053510 /nfs/dbraw/zinc/05/35/10/1202053510.db2.gz REWNPDWEPAPZDA-UHFFFAOYSA-N 0 3 394.541 0.917 20 0 GCADHN CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCN(C)C(=O)C1)C2 ZINC001109467411 1202057360 /nfs/dbraw/zinc/05/73/60/1202057360.db2.gz VHNOMQWJLWBOGR-SQNIBIBYSA-N 0 3 380.533 0.545 20 0 GCADHN C[C@@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1CCC3)C2)CS(C)(=O)=O ZINC001109480977 1202059897 /nfs/dbraw/zinc/05/98/97/1202059897.db2.gz LRPUOOGGDVWKJN-VZAMPYOESA-N 0 3 380.514 0.914 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(=O)n(C)c1)C2 ZINC001109482776 1202061151 /nfs/dbraw/zinc/06/11/51/1202061151.db2.gz HFFQCMHHJDDPFQ-BDXSIMOUSA-N 0 3 377.485 0.754 20 0 GCADHN CCCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)C2 ZINC001109487355 1202061860 /nfs/dbraw/zinc/06/18/60/1202061860.db2.gz NJYYJWWIRLRKOB-SQNIBIBYSA-N 0 3 382.549 0.981 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3cc(C)sc3n1)C2 ZINC001109485965 1202062184 /nfs/dbraw/zinc/06/21/84/1202062184.db2.gz AELWFRZHRJQNOD-WCVJEAGWSA-N 0 3 378.498 0.976 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)nn1C)C2 ZINC001109514685 1202070035 /nfs/dbraw/zinc/07/00/35/1202070035.db2.gz XFNHTTXRUNWERW-UBDQQSCGSA-N 0 3 380.489 0.016 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(=O)[nH]c1)C2 ZINC001109532986 1202071131 /nfs/dbraw/zinc/07/11/31/1202071131.db2.gz BATWBUBTXKUSQM-NCOADZHNSA-N 0 3 379.457 0.075 20 0 GCADHN Cn1cc(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C3)cn1 ZINC001109541606 1202073487 /nfs/dbraw/zinc/07/34/87/1202073487.db2.gz CBGJWXSOBAMTNC-ZBRFXRBCSA-N 0 3 389.500 0.497 20 0 GCADHN Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@@H]2CCOC2)ncc1=O ZINC001109541978 1202073967 /nfs/dbraw/zinc/07/39/67/1202073967.db2.gz YHLFGPIREPMWHB-AIANPOQGSA-N 0 3 376.457 0.311 20 0 GCADHN COC[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCN2CCCC2=O)CCOC1 ZINC001109563350 1202080713 /nfs/dbraw/zinc/08/07/13/1202080713.db2.gz RADKMKSWYYKTRM-NHAYFPRASA-N 0 3 379.501 0.774 20 0 GCADHN CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNS(=O)(=O)NC)C3)c1 ZINC001109563292 1202080757 /nfs/dbraw/zinc/08/07/57/1202080757.db2.gz PESDXWUHQUAUSS-IKGGRYGDSA-N 0 3 380.514 0.524 20 0 GCADHN CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNS(=O)(=O)NC)C3)cc1 ZINC001109563920 1202081555 /nfs/dbraw/zinc/08/15/55/1202081555.db2.gz AXGQKZAXCQKWJP-IKGGRYGDSA-N 0 3 380.514 0.524 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc(C)no1)C2 ZINC001109583442 1202084822 /nfs/dbraw/zinc/08/48/22/1202084822.db2.gz VHYOJBFFSFZNJX-UGUYLWEFSA-N 0 3 382.461 0.056 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccn1)C2 ZINC001109593809 1202086930 /nfs/dbraw/zinc/08/69/30/1202086930.db2.gz YJNYJVDNUCWUOA-XWSJACJDSA-N 0 3 377.485 0.760 20 0 GCADHN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(C)(C)CC(=O)OC)C1=O ZINC000770195137 1202087596 /nfs/dbraw/zinc/08/75/96/1202087596.db2.gz QOGYRSBXJDRBOJ-IBGZPJMESA-N 0 3 390.440 0.806 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000770174100 1202089295 /nfs/dbraw/zinc/08/92/95/1202089295.db2.gz RSOCVSSPQWGGJU-OAHLLOKOSA-N 0 3 398.529 0.820 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(C)C ZINC001109632761 1202094719 /nfs/dbraw/zinc/09/47/19/1202094719.db2.gz BLEQOYFGFJNBEH-UGUYLWEFSA-N 0 3 378.473 0.859 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(C)C ZINC001109632761 1202094724 /nfs/dbraw/zinc/09/47/24/1202094724.db2.gz BLEQOYFGFJNBEH-UGUYLWEFSA-N 0 3 378.473 0.859 20 0 GCADHN CCOC(=O)N1CC[C@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000770433263 1202098394 /nfs/dbraw/zinc/09/83/94/1202098394.db2.gz PNZHXZLXDYJLSK-GJZGRUSLSA-N 0 3 383.493 0.459 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(=O)c1ccccc1)C2 ZINC001109665887 1202100896 /nfs/dbraw/zinc/10/08/96/1202100896.db2.gz FCLYVROWYRDUGK-OWSLCNJRSA-N 0 3 375.469 0.487 20 0 GCADHN COCCCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NC(=O)N(C)C1)C2 ZINC001109676025 1202102559 /nfs/dbraw/zinc/10/25/59/1202102559.db2.gz OQFVJUPMUCVOIO-XFMPKHEZSA-N 0 3 379.461 0.002 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000770590377 1202104304 /nfs/dbraw/zinc/10/43/04/1202104304.db2.gz MNWRXTBDUMWZJI-KZNAEPCWSA-N 0 3 392.548 0.901 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](O)COc1cccc(F)c1 ZINC000770590481 1202104317 /nfs/dbraw/zinc/10/43/17/1202104317.db2.gz XTLZSMVRNFHCGA-WBVHZDCISA-N 0 3 382.480 0.891 20 0 GCADHN Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO[C@@H]1CCOC1 ZINC001109701763 1202107323 /nfs/dbraw/zinc/10/73/23/1202107323.db2.gz DSYSZXWVXURSIN-NCOADZHNSA-N 0 3 375.469 0.916 20 0 GCADHN COCCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CC(C)(C)C)C2 ZINC001109724594 1202110277 /nfs/dbraw/zinc/11/02/77/1202110277.db2.gz ZWVPTDSTFRQRJD-IKGGRYGDSA-N 0 3 382.549 0.839 20 0 GCADHN COC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000770802804 1202113879 /nfs/dbraw/zinc/11/38/79/1202113879.db2.gz QUXNJDFQOBFBDX-CQSZACIVSA-N 0 3 391.472 0.946 20 0 GCADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001109734403 1202114684 /nfs/dbraw/zinc/11/46/84/1202114684.db2.gz QBHUMNJCHAFOMK-QPSCCSFWSA-N 0 3 379.505 0.379 20 0 GCADHN Cn1cc(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(=O)c2cccnc2)C3)cn1 ZINC001109746985 1202117558 /nfs/dbraw/zinc/11/75/58/1202117558.db2.gz XKPOKLQEWLUZST-SQNIBIBYSA-N 0 3 382.468 0.509 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)[nH]c1=O)C2 ZINC001109762666 1202119214 /nfs/dbraw/zinc/11/92/14/1202119214.db2.gz ZPPRBFUIOJXCES-OHFALNGGSA-N 0 3 379.457 0.455 20 0 GCADHN CCOCCCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnc[nH]1)C2 ZINC001109762686 1202119421 /nfs/dbraw/zinc/11/94/21/1202119421.db2.gz BACIDBKRKUHLCT-ORQFMDKSSA-N 0 3 377.489 0.605 20 0 GCADHN O=C(Cc1c[nH]cn1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001109763604 1202120069 /nfs/dbraw/zinc/12/00/69/1202120069.db2.gz SWHNWMUALYERIJ-LMSBXDPUSA-N 0 3 378.473 0.230 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1ccnc1)C2 ZINC001109772589 1202120840 /nfs/dbraw/zinc/12/08/40/1202120840.db2.gz OSZBTACVHHTSNC-BGTYHANMSA-N 0 3 377.489 0.708 20 0 GCADHN CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCOC ZINC001109782740 1202122013 /nfs/dbraw/zinc/12/20/13/1202122013.db2.gz UEHPAFYQLRVKAA-PMPSAXMXSA-N 0 3 375.535 0.806 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@H](NCC2OCCO2)C[C@H]1C(=O)N1CCSC1 ZINC001170022567 1202127625 /nfs/dbraw/zinc/12/76/25/1202127625.db2.gz QRPSLWXFASWWRH-OLZOCXBDSA-N 0 3 387.502 0.860 20 0 GCADHN CN(C)C(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cc1ccc(F)cc1 ZINC001109812917 1202128735 /nfs/dbraw/zinc/12/87/35/1202128735.db2.gz VQNDBQJVRDUOHG-OWSLCNJRSA-N 0 3 377.460 0.929 20 0 GCADHN Cc1sc2nnn(CN3CCN(C(=O)CN4CCCC4)CC3)c(=O)c2c1C ZINC000771172944 1202128782 /nfs/dbraw/zinc/12/87/82/1202128782.db2.gz ZAMIJFSEVCXPKL-UHFFFAOYSA-N 0 3 390.513 0.667 20 0 GCADHN CN(C)C(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001109816087 1202129376 /nfs/dbraw/zinc/12/93/76/1202129376.db2.gz FQAFZWIOFSENCU-OHFALNGGSA-N 0 3 379.457 0.357 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1nc(C3CC3)no1)C2 ZINC001109815457 1202129467 /nfs/dbraw/zinc/12/94/67/1202129467.db2.gz AFIPNQHIZVYEEZ-WCVJEAGWSA-N 0 3 378.473 0.999 20 0 GCADHN COCCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCOCC1)C2 ZINC001109823485 1202130733 /nfs/dbraw/zinc/13/07/33/1202130733.db2.gz XZXAOEKTFIHNSU-PMPSAXMXSA-N 0 3 378.477 0.327 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001109833835 1202132015 /nfs/dbraw/zinc/13/20/15/1202132015.db2.gz VVTKESHDCDXRBB-IKGGRYGDSA-N 0 3 378.517 0.883 20 0 GCADHN O=C(CCCCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCn1cncn1 ZINC001109843356 1202133889 /nfs/dbraw/zinc/13/38/89/1202133889.db2.gz HNGXLPAXQKNTBV-SQNIBIBYSA-N 0 3 376.505 0.502 20 0 GCADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOC(C)C ZINC001109849533 1202135543 /nfs/dbraw/zinc/13/55/43/1202135543.db2.gz VYPCFJGKKLRBPQ-QZWWFDLISA-N 0 3 382.505 0.293 20 0 GCADHN CNC(=O)[C@H](C)N[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170025305 1202137862 /nfs/dbraw/zinc/13/78/62/1202137862.db2.gz HPAPIVNSMHHWMH-AVGNSLFASA-N 0 3 386.518 0.621 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1cccs1)c1nnc[nH]1 ZINC001109861448 1202138381 /nfs/dbraw/zinc/13/83/81/1202138381.db2.gz MXHJJDONKIMXKQ-UXOAXIEHSA-N 0 3 377.470 0.779 20 0 GCADHN O=C(CCn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc2c(c1)CCO2 ZINC001109882916 1202141656 /nfs/dbraw/zinc/14/16/56/1202141656.db2.gz VLAYWWMWUDXEEM-SQNIBIBYSA-N 0 3 382.468 0.962 20 0 GCADHN Cn1cnnc1COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CC(C)(C)CO1 ZINC001109915345 1202147383 /nfs/dbraw/zinc/14/73/83/1202147383.db2.gz XAMFBXOFLLDFEB-WCVJEAGWSA-N 0 3 377.489 0.868 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cncn1)C2 ZINC001109931359 1202154577 /nfs/dbraw/zinc/15/45/77/1202154577.db2.gz RERPPKLWTCXCMP-BDXSIMOUSA-N 0 3 379.505 0.813 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cccn1)C2 ZINC001109945590 1202155291 /nfs/dbraw/zinc/15/52/91/1202155291.db2.gz JVHMCWXZRQUOIT-RANZSIQMSA-N 0 3 377.489 0.708 20 0 GCADHN CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001109957439 1202162361 /nfs/dbraw/zinc/16/23/61/1202162361.db2.gz JUCHNOGLWPWFIZ-FXUDXRNXSA-N 0 3 379.505 0.557 20 0 GCADHN CN(C)C(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@H]2CCOC2)CC1 ZINC001109963210 1202163494 /nfs/dbraw/zinc/16/34/94/1202163494.db2.gz XQVZPGDGWRKCEZ-QZWWFDLISA-N 0 3 379.501 0.772 20 0 GCADHN C[C@H](N[C@H](CO)C1CC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000771809495 1202163503 /nfs/dbraw/zinc/16/35/03/1202163503.db2.gz SJSSAKMYHAULBL-SUMWQHHRSA-N 0 3 397.497 0.395 20 0 GCADHN C[C@H](N[C@@H](CO)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000771811913 1202163649 /nfs/dbraw/zinc/16/36/49/1202163649.db2.gz FOJMGVYTHCUOQN-GUYCJALGSA-N 0 3 397.497 0.395 20 0 GCADHN COCCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001109976142 1202164526 /nfs/dbraw/zinc/16/45/26/1202164526.db2.gz TWDSYYIGQBSGJM-ILXRZTDVSA-N 0 3 377.489 0.562 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1c[nH]cn1)C2 ZINC001109977561 1202165193 /nfs/dbraw/zinc/16/51/93/1202165193.db2.gz OSTGDZSZHQYVNO-UGUYLWEFSA-N 0 3 380.489 0.433 20 0 GCADHN O=C(Cn1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cn1)NC1CCCC1 ZINC000772071208 1202174226 /nfs/dbraw/zinc/17/42/26/1202174226.db2.gz RFZVPGCOEQCRKL-SJORKVTESA-N 0 3 375.473 0.535 20 0 GCADHN CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCN2CCCC2=O)CCC1 ZINC001110019173 1202176582 /nfs/dbraw/zinc/17/65/82/1202176582.db2.gz JFZZAPJJDBHVJP-PMPSAXMXSA-N 0 3 376.501 0.637 20 0 GCADHN CCCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]c1C)C2 ZINC001110034856 1202178091 /nfs/dbraw/zinc/17/80/91/1202178091.db2.gz QPLGKUHGSQKERK-SNPRPXQTSA-N 0 3 376.461 0.218 20 0 GCADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000787653979 1205397964 /nfs/dbraw/zinc/39/79/64/1205397964.db2.gz NJKOKGGAWFOJHV-UHFFFAOYSA-N 0 3 382.505 0.771 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000787665110 1205398174 /nfs/dbraw/zinc/39/81/74/1205398174.db2.gz VGQHDHUPPRTBEQ-MSOLQXFVSA-N 0 3 391.516 0.683 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000787665117 1205398217 /nfs/dbraw/zinc/39/82/17/1205398217.db2.gz VGQHDHUPPRTBEQ-ZWKOTPCHSA-N 0 3 391.516 0.683 20 0 GCADHN O=C(NCCCN1CCc2ccccc21)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000787687051 1205399195 /nfs/dbraw/zinc/39/91/95/1205399195.db2.gz IOTVICLWSXOFND-ROUUACIJSA-N 0 3 386.496 0.535 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000787751013 1205399724 /nfs/dbraw/zinc/39/97/24/1205399724.db2.gz JMAJFDMPKURXNY-KBAYOESNSA-N 0 3 391.516 0.825 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000787755186 1205400020 /nfs/dbraw/zinc/40/00/20/1205400020.db2.gz HPZIZKIUKMALMA-GOSISDBHSA-N 0 3 390.528 0.456 20 0 GCADHN CN1C(=O)NC2(CCN([C@H]3CN(C(=O)OC(C)(C)C)CC[C@]3(C)O)CC2)C1=O ZINC000787730302 1205401224 /nfs/dbraw/zinc/40/12/24/1205401224.db2.gz NIQHUDONXJLACQ-UGSOOPFHSA-N 0 3 396.488 0.763 20 0 GCADHN CN(CCc1ccccc1F)C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000787902156 1205409079 /nfs/dbraw/zinc/40/90/79/1205409079.db2.gz FYRMDQWYVGZEDV-UHFFFAOYSA-N 0 3 378.492 0.970 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cn1 ZINC000787980400 1205411841 /nfs/dbraw/zinc/41/18/41/1205411841.db2.gz PVHRPDWNYJEMEZ-OAHLLOKOSA-N 0 3 378.473 0.714 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1C ZINC000788034575 1205412529 /nfs/dbraw/zinc/41/25/29/1205412529.db2.gz LZNJCGBODXNQEJ-MSOLQXFVSA-N 0 3 388.512 0.917 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000788101163 1205413135 /nfs/dbraw/zinc/41/31/35/1205413135.db2.gz NYFDEHILXRHRES-INIZCTEOSA-N 0 3 395.548 0.084 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CCSC1 ZINC000788239858 1205416971 /nfs/dbraw/zinc/41/69/71/1205416971.db2.gz ABNAYTGMZPOBBU-RDTXWAMCSA-N 0 3 385.530 0.542 20 0 GCADHN CC1CCC2(CC1)OC[C@H](CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)O2 ZINC000788255751 1205417568 /nfs/dbraw/zinc/41/75/68/1205417568.db2.gz VGLZMWMRCVTAQZ-DJMKXRNQSA-N 0 3 399.557 0.978 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCSC(F)(F)F ZINC000788557342 1205424983 /nfs/dbraw/zinc/42/49/83/1205424983.db2.gz LQZYXYARZRPCRB-LLVKDONJSA-N 0 3 398.451 0.415 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1 ZINC000788769683 1205429050 /nfs/dbraw/zinc/42/90/50/1205429050.db2.gz KMCLRPDOYLBOQJ-IBGZPJMESA-N 0 3 398.507 0.802 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCCCC1 ZINC000788786072 1205430679 /nfs/dbraw/zinc/43/06/79/1205430679.db2.gz VRIITNMSUXZQRC-KGLIPLIRSA-N 0 3 378.439 0.977 20 0 GCADHN O=C(NCc1cnn(Cc2ccccc2)c1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000788829452 1205430957 /nfs/dbraw/zinc/43/09/57/1205430957.db2.gz ZDOPDQWGKRULSY-MOPGFXCFSA-N 0 3 397.479 0.527 20 0 GCADHN COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000789061571 1205434301 /nfs/dbraw/zinc/43/43/01/1205434301.db2.gz LWWULTOYDMNXLL-CFVMTHIKSA-N 0 3 379.432 0.991 20 0 GCADHN NCc1cccc(NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC001170107860 1205440633 /nfs/dbraw/zinc/44/06/33/1205440633.db2.gz GEOMIIFWWIQDON-UHFFFAOYSA-N 0 3 375.498 0.959 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000789564519 1205442188 /nfs/dbraw/zinc/44/21/88/1205442188.db2.gz HDDRXPGOEPQQNF-UHFFFAOYSA-N 0 3 392.456 0.296 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC(=O)N(CC4CC4)C3)cc2)CC1 ZINC000789808441 1205448337 /nfs/dbraw/zinc/44/83/37/1205448337.db2.gz AGICETNXSGBFNL-UHFFFAOYSA-N 0 3 399.495 0.805 20 0 GCADHN CCOC(=O)N[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)CC(C)C ZINC000789937642 1205452370 /nfs/dbraw/zinc/45/23/70/1205452370.db2.gz XNCQQGPEJRAMST-HRCADAONSA-N 0 3 398.504 0.243 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCc2cnc(C)s2)CC1 ZINC000790192082 1205458225 /nfs/dbraw/zinc/45/82/25/1205458225.db2.gz RCMGGDLYWUTOJW-AWEZNQCLSA-N 0 3 381.546 0.500 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2C2OCCO2)CC1 ZINC000790208036 1205458644 /nfs/dbraw/zinc/45/86/44/1205458644.db2.gz GQQXLYGEYQVSMK-IAGOWNOFSA-N 0 3 396.532 0.130 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2C2OCCO2)CC1 ZINC000790208039 1205459022 /nfs/dbraw/zinc/45/90/22/1205459022.db2.gz GQQXLYGEYQVSMK-SJORKVTESA-N 0 3 396.532 0.130 20 0 GCADHN Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)no1 ZINC000790194947 1205459069 /nfs/dbraw/zinc/45/90/69/1205459069.db2.gz KTNKSDLOEOGUIT-WMLDXEAASA-N 0 3 377.489 0.646 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C)COc2ccccc2)CC1 ZINC000790210474 1205459445 /nfs/dbraw/zinc/45/94/45/1205459445.db2.gz UFOTZFCZMRIBQV-ZWKOTPCHSA-N 0 3 390.528 0.960 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000790471376 1205465130 /nfs/dbraw/zinc/46/51/30/1205465130.db2.gz JZYFZYMIRZGGMI-HUUCEWRRSA-N 0 3 380.489 0.809 20 0 GCADHN CC(C)[C@@H](NC[C@@H]1CC2(CC2)C(=O)O1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791623965 1205478834 /nfs/dbraw/zinc/47/88/34/1205478834.db2.gz KREICSHXJSXJDD-XJKSGUPXSA-N 0 3 375.473 0.893 20 0 GCADHN CC(C)N1CCN(CCCOC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)CC1 ZINC000792034798 1205483453 /nfs/dbraw/zinc/48/34/53/1205483453.db2.gz AACHXUMPNMFVEK-MRXNPFEDSA-N 0 3 390.546 0.928 20 0 GCADHN C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC000792263435 1205485992 /nfs/dbraw/zinc/48/59/92/1205485992.db2.gz YVZPZZRVXVBKPN-CABCVRRESA-N 0 3 397.520 0.848 20 0 GCADHN CC[C@@]1(NCC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)CCOC1 ZINC000792418134 1205487267 /nfs/dbraw/zinc/48/72/67/1205487267.db2.gz IWBUPHOWKZAZNR-RBUKOAKNSA-N 0 3 390.440 0.652 20 0 GCADHN CC[C@@]1(NCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CCOC1 ZINC000792429536 1205487509 /nfs/dbraw/zinc/48/75/09/1205487509.db2.gz ZUXQFMOJGGUPND-RTBURBONSA-N 0 3 390.440 0.652 20 0 GCADHN CC[C@@H]1C[C@@H](N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CCO1 ZINC001170226019 1205489974 /nfs/dbraw/zinc/48/99/74/1205489974.db2.gz GGHBWLKFVUUGOC-YVSFHVDLSA-N 0 3 396.532 0.541 20 0 GCADHN COCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)C2 ZINC001110099240 1205494728 /nfs/dbraw/zinc/49/47/28/1205494728.db2.gz AAPSTVMKIKOGCF-PVAVHDDUSA-N 0 3 378.473 0.726 20 0 GCADHN C[C@@H](O)c1ccc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000793637636 1205501490 /nfs/dbraw/zinc/50/14/90/1205501490.db2.gz ZMDVCCAWBBAVEP-MRXNPFEDSA-N 0 3 376.501 0.452 20 0 GCADHN C[C@H](O)c1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000793640800 1205501525 /nfs/dbraw/zinc/50/15/25/1205501525.db2.gz VNWHHTVVCJOTEJ-MAUKXSAKSA-N 0 3 377.485 0.925 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)N1CCCCC1 ZINC000793708548 1205502769 /nfs/dbraw/zinc/50/27/69/1205502769.db2.gz IJJSWOMUXYYIOA-QFBILLFUSA-N 0 3 398.573 0.301 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)N1CCCCC1 ZINC000793708545 1205502774 /nfs/dbraw/zinc/50/27/74/1205502774.db2.gz IJJSWOMUXYYIOA-APWZRJJASA-N 0 3 398.573 0.301 20 0 GCADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793711920 1205503017 /nfs/dbraw/zinc/50/30/17/1205503017.db2.gz ZCJSOXCKCOIYPY-JXFKEZNVSA-N 0 3 397.516 0.795 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793712191 1205503026 /nfs/dbraw/zinc/50/30/26/1205503026.db2.gz LSBUOIJEUWRZGF-QWHCGFSZSA-N 0 3 392.422 0.599 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1)N1CCCCC1 ZINC000793714333 1205503042 /nfs/dbraw/zinc/50/30/42/1205503042.db2.gz DRARBFOCRCODHB-INIZCTEOSA-N 0 3 376.505 0.055 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)NC[C@@H](C)N3CCCCC3)CC2)on1 ZINC000793721342 1205503415 /nfs/dbraw/zinc/50/34/15/1205503415.db2.gz IVYRUMKEWDWGIA-MRXNPFEDSA-N 0 3 377.489 0.618 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CCN1CCOC ZINC000793720788 1205503460 /nfs/dbraw/zinc/50/34/60/1205503460.db2.gz HRJLZRHOYMQAAE-ROUUACIJSA-N 0 3 382.549 0.936 20 0 GCADHN COc1cc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)ccc1OCCO ZINC000793719009 1205503467 /nfs/dbraw/zinc/50/34/67/1205503467.db2.gz OJPJPPBACYDHQM-OAHLLOKOSA-N 0 3 393.484 0.673 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000793715618 1205503492 /nfs/dbraw/zinc/50/34/92/1205503492.db2.gz IDPUZRTZBGMFDL-CABCVRRESA-N 0 3 383.489 0.546 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)[C@H](C)C1 ZINC000793729578 1205505263 /nfs/dbraw/zinc/50/52/63/1205505263.db2.gz XXYUNZGNGCFPBZ-JKSUJKDBSA-N 0 3 382.505 0.073 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)[C@H](C)C1 ZINC000793729577 1205505409 /nfs/dbraw/zinc/50/54/09/1205505409.db2.gz XXYUNZGNGCFPBZ-HZPDHXFCSA-N 0 3 382.505 0.073 20 0 GCADHN COCCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793804204 1205506458 /nfs/dbraw/zinc/50/64/58/1205506458.db2.gz WJUKOTPRHXMEBK-SJORKVTESA-N 0 3 391.468 0.307 20 0 GCADHN Cc1nccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000793803896 1205506509 /nfs/dbraw/zinc/50/65/09/1205506509.db2.gz CUBHEFHENSJPPT-KRWDZBQOSA-N 0 3 382.468 0.792 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000793814939 1205507380 /nfs/dbraw/zinc/50/73/80/1205507380.db2.gz BZLXBFCYUCDSGF-ZDUSSCGKSA-N 0 3 386.493 0.243 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NCC[S@@](=O)Cc2ccccc2)CC1 ZINC000793816910 1205507483 /nfs/dbraw/zinc/50/74/83/1205507483.db2.gz NJOVLEFJBVZHET-HHHXNRCGSA-N 0 3 395.525 0.279 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000793818221 1205507618 /nfs/dbraw/zinc/50/76/18/1205507618.db2.gz VVWWAIMLXMELHB-MRXNPFEDSA-N 0 3 383.489 0.405 20 0 GCADHN CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1 ZINC000793903071 1205508652 /nfs/dbraw/zinc/50/86/52/1205508652.db2.gz UFVWYXYOFIDQDU-ARFHVFGLSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000793901940 1205508666 /nfs/dbraw/zinc/50/86/66/1205508666.db2.gz PARPEKGIEQJPSO-UONOGXRCSA-N 0 3 382.505 0.959 20 0 GCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000793901934 1205508715 /nfs/dbraw/zinc/50/87/15/1205508715.db2.gz PARPEKGIEQJPSO-KBPBESRZSA-N 0 3 382.505 0.959 20 0 GCADHN CCOC(=O)N1CCCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000793901661 1205508836 /nfs/dbraw/zinc/50/88/36/1205508836.db2.gz OEIYHXRULBKRQI-JKSUJKDBSA-N 0 3 382.505 0.914 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)C3=NNC(=O)CC3)cc2)CC1 ZINC000793911702 1205509170 /nfs/dbraw/zinc/50/91/70/1205509170.db2.gz VLUGEJSAWGXBQI-UHFFFAOYSA-N 0 3 387.440 0.576 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)COCc1ccccc1 ZINC000793954555 1205510460 /nfs/dbraw/zinc/51/04/60/1205510460.db2.gz HVGDWUDPMMTRCA-QRQLOZEOSA-N 0 3 389.496 0.935 20 0 GCADHN CN(CCNC(=O)C(=O)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000793937597 1205510544 /nfs/dbraw/zinc/51/05/44/1205510544.db2.gz PMZHGMVLWNFYOQ-LJQANCHMSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CCO1 ZINC000793940101 1205510763 /nfs/dbraw/zinc/51/07/63/1205510763.db2.gz YTJUQZQINABAMU-DZGCQCFKSA-N 0 3 398.504 0.337 20 0 GCADHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CCO1 ZINC000793940105 1205510820 /nfs/dbraw/zinc/51/08/20/1205510820.db2.gz YTJUQZQINABAMU-UKRRQHHQSA-N 0 3 398.504 0.337 20 0 GCADHN CCCc1nnc(SCC(=O)N(CCCOC)C2CCN(C)CC2)n1N ZINC000794052693 1205511442 /nfs/dbraw/zinc/51/14/42/1205511442.db2.gz YLNIVTJVISWYIR-UHFFFAOYSA-N 0 3 384.550 0.996 20 0 GCADHN CCN1CCN(C(=O)COCCOCC(=O)N2CCN(CC)C[C@@H]2C)[C@H](C)C1 ZINC000804379707 1205515006 /nfs/dbraw/zinc/51/50/06/1205515006.db2.gz OWTIGAWPITVZHQ-HDICACEKSA-N 0 3 398.548 0.125 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1 ZINC000804418649 1205515137 /nfs/dbraw/zinc/51/51/37/1205515137.db2.gz SEYOWAMXSFKCRV-GDBMZVCRSA-N 0 3 382.505 0.960 20 0 GCADHN Cn1cc(C(=O)C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cn1 ZINC001129740956 1205519764 /nfs/dbraw/zinc/51/97/64/1205519764.db2.gz QUWPKTINCLDLFH-UHFFFAOYSA-N 0 3 383.452 0.617 20 0 GCADHN O=C(N1C[C@@H](NCCOCC2CCC2)[C@@H](n2ccnn2)C1)[C@]12C[C@H]1COC2 ZINC001129863675 1205521155 /nfs/dbraw/zinc/52/11/55/1205521155.db2.gz GFBFVAGTQGBGNU-ZMMAXQRCSA-N 0 3 375.473 0.473 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000804751053 1205523412 /nfs/dbraw/zinc/52/34/12/1205523412.db2.gz SOBQDJDYVWRKTM-CQSZACIVSA-N 0 3 382.505 0.959 20 0 GCADHN CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000804753225 1205523579 /nfs/dbraw/zinc/52/35/79/1205523579.db2.gz SQJDFUUJHICACO-OAHLLOKOSA-N 0 3 380.489 0.666 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N(CCO)Cc1cccnc1Cl ZINC000804729541 1205523710 /nfs/dbraw/zinc/52/37/10/1205523710.db2.gz MVWAFYLEINBWLY-HNNXBMFYSA-N 0 3 380.876 0.656 20 0 GCADHN CN(CCCNC(=O)OC(C)(C)C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804732213 1205523975 /nfs/dbraw/zinc/52/39/75/1205523975.db2.gz HNAUWWBNRNAEQV-HNNXBMFYSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804732383 1205524012 /nfs/dbraw/zinc/52/40/12/1205524012.db2.gz MLSJCSNLDRIYIS-UKRRQHHQSA-N 0 3 382.505 0.864 20 0 GCADHN Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2=O)cc1 ZINC000804730739 1205524051 /nfs/dbraw/zinc/52/40/51/1205524051.db2.gz ATVNCDZJOATYJD-FUHWJXTLSA-N 0 3 384.480 0.817 20 0 GCADHN CC(C)COCCN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1n1ccnn1 ZINC001129897622 1205524436 /nfs/dbraw/zinc/52/44/36/1205524436.db2.gz CTVBLQIUVBNEJG-YVSFHVDLSA-N 0 3 381.477 0.096 20 0 GCADHN CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000804732879 1205524520 /nfs/dbraw/zinc/52/45/20/1205524520.db2.gz ZPFIQLPVLBQWTN-RHSMWYFYSA-N 0 3 394.516 0.960 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129937767 1205524863 /nfs/dbraw/zinc/52/48/63/1205524863.db2.gz GKYCPKRVGZMHDX-KNEKCZJMSA-N 0 3 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O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000805073886 1205532179 /nfs/dbraw/zinc/53/21/79/1205532179.db2.gz AIOJBUMLYAVXEZ-YESZJQIVSA-N 0 3 379.505 0.829 20 0 GCADHN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000747230704 1205532576 /nfs/dbraw/zinc/53/25/76/1205532576.db2.gz XBLPVDOIOYVBHZ-NWDGAFQWSA-N 0 3 392.847 0.917 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000747231930 1205532825 /nfs/dbraw/zinc/53/28/25/1205532825.db2.gz OXOYAEVHHFLJCJ-IRXDYDNUSA-N 0 3 381.498 0.371 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000747237613 1205534463 /nfs/dbraw/zinc/53/44/63/1205534463.db2.gz WVBXPANETKFQCO-DLBZAZTESA-N 0 3 379.482 0.820 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N(C)C)[n-]1 ZINC001130238140 1205539091 /nfs/dbraw/zinc/53/90/91/1205539091.db2.gz VUXFGOWLOUDVKQ-RQJABVFESA-N 0 3 378.477 0.017 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N(C)CC)[n-]1 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ONRZLNJJPIXRQO-SJCJKPOMSA-N 0 3 383.449 0.587 20 0 GCADHN COC(=O)c1cn([C@@H]2CCCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)nn1 ZINC000809977564 1205632373 /nfs/dbraw/zinc/63/23/73/1205632373.db2.gz JWZKLFFMIVILGE-FZKQIMNGSA-N 0 3 397.476 0.977 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000810269304 1205635142 /nfs/dbraw/zinc/63/51/42/1205635142.db2.gz DWADIPKAICCFTI-IXDOHACOSA-N 0 3 377.489 0.463 20 0 GCADHN Cn1nncc1NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000810348188 1205636022 /nfs/dbraw/zinc/63/60/22/1205636022.db2.gz RIBWMDXVXYFBTK-UHFFFAOYSA-N 0 3 385.472 0.078 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001132762003 1205650684 /nfs/dbraw/zinc/65/06/84/1205650684.db2.gz UYUIWQSYTNMMRH-OXQOHEQNSA-N 0 3 381.517 0.973 20 0 GCADHN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000805416874 1205657459 /nfs/dbraw/zinc/65/74/59/1205657459.db2.gz BVLPAQTWUVJTQN-CVEARBPZSA-N 0 3 382.505 0.914 20 0 GCADHN COCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C ZINC000812105588 1205661141 /nfs/dbraw/zinc/66/11/41/1205661141.db2.gz MXKYXHWVBYFAEG-OAHLLOKOSA-N 0 3 378.521 0.965 20 0 GCADHN COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000812119456 1205661444 /nfs/dbraw/zinc/66/14/44/1205661444.db2.gz YGEGSBAFQOFXDO-HZPDHXFCSA-N 0 3 392.504 0.171 20 0 GCADHN CON(C)C(=O)C1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000813054557 1205672075 /nfs/dbraw/zinc/67/20/75/1205672075.db2.gz KNKQHYQESKSRHR-INIZCTEOSA-N 0 3 397.520 0.371 20 0 GCADHN CCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)C1 ZINC000747836881 1205672711 /nfs/dbraw/zinc/67/27/11/1205672711.db2.gz WDDCRZWOXSPFQQ-HZPDHXFCSA-N 0 3 382.505 0.914 20 0 GCADHN C[C@H](NCCNS(=O)(=O)c1ccccc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813325031 1205674814 /nfs/dbraw/zinc/67/48/14/1205674814.db2.gz VIWMALSUIHZXBA-LBPRGKRZSA-N 0 3 388.449 0.846 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCCOc1cccc(F)c1 ZINC001134117511 1205687755 /nfs/dbraw/zinc/68/77/55/1205687755.db2.gz QUPYTAYIOILNDS-ZACQAIPSSA-N 0 3 379.432 0.594 20 0 GCADHN CN(C)C(=O)OC1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000815191615 1205699013 /nfs/dbraw/zinc/69/90/13/1205699013.db2.gz HHGQEASUHCFVHD-UHFFFAOYSA-N 0 3 398.485 0.825 20 0 GCADHN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000815286507 1205702061 /nfs/dbraw/zinc/70/20/61/1205702061.db2.gz NOBMCGTWHZDHMD-QZTJIDSGSA-N 0 3 385.530 0.954 20 0 GCADHN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000815286508 1205702167 /nfs/dbraw/zinc/70/21/67/1205702167.db2.gz NOBMCGTWHZDHMD-ROUUACIJSA-N 0 3 385.530 0.954 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(OC(=O)NC)c2)CC1 ZINC000815341267 1205703081 /nfs/dbraw/zinc/70/30/81/1205703081.db2.gz GUCOJAPQOWVJSV-AWEZNQCLSA-N 0 3 391.472 0.486 20 0 GCADHN Cc1cccc2c1CC[C@H](N[C@H]1[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]1O)C2 ZINC001171559595 1205708561 /nfs/dbraw/zinc/70/85/61/1205708561.db2.gz JHQHFVKFMMEKJP-RSACRBQFSA-N 0 3 387.436 0.024 20 0 GCADHN CN(C)C(=O)c1nn([C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)c2c1CNCC2 ZINC001171711195 1205709207 /nfs/dbraw/zinc/70/92/07/1205709207.db2.gz SWTUYFPQSUIXHY-NSHDSACASA-N 0 3 377.445 0.939 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H]1Cc2cccc(F)c2C1 ZINC001171790475 1205709944 /nfs/dbraw/zinc/70/99/44/1205709944.db2.gz LWRHNFMLBRRPIL-ZJQBRPOHSA-N 0 3 379.432 0.453 20 0 GCADHN O=C1C[C@@H](NCc2ccnc(N3CCS(=O)(=O)CC3)c2)CCN1C1CC1 ZINC001172005667 1205711005 /nfs/dbraw/zinc/71/10/05/1205711005.db2.gz SKXWOQXZNQTOPT-HNNXBMFYSA-N 0 3 378.498 0.559 20 0 GCADHN O=C1C[C@H](NCc2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C1CC1 ZINC001172007799 1205711033 /nfs/dbraw/zinc/71/10/33/1205711033.db2.gz FTEUQBNMMUDTNA-MRXNPFEDSA-N 0 3 393.509 0.951 20 0 GCADHN O=C1C[C@@H](NCc2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C1CC1 ZINC001172007795 1205711134 /nfs/dbraw/zinc/71/11/34/1205711134.db2.gz FTEUQBNMMUDTNA-INIZCTEOSA-N 0 3 393.509 0.951 20 0 GCADHN CN1CCN(C[C@@H]2Cn3ccnc3CN([C@H]3CCN(C4CC4)C(=O)C3)C2)CC1 ZINC001172010935 1205711446 /nfs/dbraw/zinc/71/14/46/1205711446.db2.gz ARVLLGPKMICIIA-MJGOQNOKSA-N 0 3 386.544 0.716 20 0 GCADHN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2[C@@H]1CCN(C2CC2)C(=O)C1)c1ccnnc1 ZINC001172015394 1205711683 /nfs/dbraw/zinc/71/16/83/1205711683.db2.gz RQZKSQDWFNZWEM-IVGZAAIESA-N 0 3 399.495 0.839 20 0 GCADHN CCN1CC[C@@H](N2CCN(C(=O)C(C)C)C[C@]3(CCCC(=O)N3)C2)CC1=O ZINC001172045509 1205712387 /nfs/dbraw/zinc/71/23/87/1205712387.db2.gz YHUXWIVEFGUHBF-UZLBHIALSA-N 0 3 378.517 0.836 20 0 GCADHN CCN1CC[C@H](N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)CC1=O ZINC001172045245 1205712501 /nfs/dbraw/zinc/71/25/01/1205712501.db2.gz WNWCHBSNICJIJI-HNNXBMFYSA-N 0 3 399.499 0.416 20 0 GCADHN CN1CCN(C[C@H]2Cn3ccnc3CN(C3C[C@@H]4COC[C@H](C3)N4C)C2)CC1 ZINC001172140569 1205713241 /nfs/dbraw/zinc/71/32/41/1205713241.db2.gz WQJYCURUVFLTKY-UMQXSMKFSA-N 0 3 388.560 0.424 20 0 GCADHN COC(=O)[C@H]1C[C@@H](NC[C@@H]2CNC(=O)O2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172269946 1205714691 /nfs/dbraw/zinc/71/46/91/1205714691.db2.gz ZYUPJASPHQNGIV-LVQVYYBASA-N 0 3 376.409 0.996 20 0 GCADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN([C@@H]2COC(C)(C)C2)CC3)C1=O ZINC001172286088 1205715514 /nfs/dbraw/zinc/71/55/14/1205715514.db2.gz XELMKAYDKKDVNB-HNAYVOBHSA-N 0 3 399.557 0.760 20 0 GCADHN COC(=O)[C@@H]1CCC[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)C1 ZINC001172610881 1205716559 /nfs/dbraw/zinc/71/65/59/1205716559.db2.gz LEHAHFFZQZYYIO-YCPHGPKFSA-N 0 3 377.441 0.226 20 0 GCADHN Cc1ccc2c(c1)C[C@@H](N[C@H]1[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]1O)CC2 ZINC001172831538 1205717458 /nfs/dbraw/zinc/71/74/58/1205717458.db2.gz NMIUVGNGXNOXGH-ZPKKHLQPSA-N 0 3 387.436 0.024 20 0 GCADHN CC(C)(C)OC(=O)C[C@H](NC1CCN(CC(=O)OC(C)(C)C)CC1)C(N)=O ZINC001172889712 1205717933 /nfs/dbraw/zinc/71/79/33/1205717933.db2.gz GTAVDGATIDEKGD-AWEZNQCLSA-N 0 3 385.505 0.968 20 0 GCADHN CNC(=O)CN1CCO[C@H]2CN([C@@H]3CC[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001173070454 1205718605 /nfs/dbraw/zinc/71/86/05/1205718605.db2.gz WEOFZEBGFRLLNV-VQHPVUNQSA-N 0 3 396.532 0.905 20 0 GCADHN CNC(=O)CN1CCO[C@H]2CN([C@@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001173070449 1205718698 /nfs/dbraw/zinc/71/86/98/1205718698.db2.gz WEOFZEBGFRLLNV-HZMVEIRTSA-N 0 3 396.532 0.905 20 0 GCADHN COc1cccc2c1C[C@@H](N1C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C1)CO2 ZINC001173166064 1205718710 /nfs/dbraw/zinc/71/87/10/1205718710.db2.gz KKDKHIBCCHBCSX-NVXWUHKLSA-N 0 3 387.480 0.867 20 0 GCADHN CCSC[C@@H](C)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001173301195 1205719255 /nfs/dbraw/zinc/71/92/55/1205719255.db2.gz JQBHJQWZGAKXFM-MPTQWLOMSA-N 0 3 383.514 0.385 20 0 GCADHN COC(=O)CCCC[C@@H](C)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001173447101 1205721229 /nfs/dbraw/zinc/72/12/29/1205721229.db2.gz BUDDXDLPHIFRQY-PVAVHDDUSA-N 0 3 393.484 0.272 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N(C)S(=O)(=O)CCN)CCN1C(=O)c1ccccc1 ZINC001173484750 1205721239 /nfs/dbraw/zinc/72/12/39/1205721239.db2.gz BHHKBFMPWOUTNW-CABCVRRESA-N 0 3 383.470 0.053 20 0 GCADHN COC(=O)CCC(=O)CN[C@@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1 ZINC001173500333 1205721552 /nfs/dbraw/zinc/72/15/52/1205721552.db2.gz GNCSRAYSMHRYIC-NVXWUHKLSA-N 0 3 390.436 0.945 20 0 GCADHN COC(=O)[C@@H]1C[C@H](NC2(C(N)=O)CCOCC2)CCN1C(=O)c1ccccc1 ZINC001173514793 1205722787 /nfs/dbraw/zinc/72/27/87/1205722787.db2.gz IVELEXTVISUGHW-CVEARBPZSA-N 0 3 389.452 0.457 20 0 GCADHN CC[C@]1(C(=O)OC)C[C@H](NCCN2C(=O)C=CC2=O)CN1C(=O)OC(C)(C)C ZINC001173522458 1205723036 /nfs/dbraw/zinc/72/30/36/1205723036.db2.gz ZCYQXWZWBNBQLR-ORAYPTAESA-N 0 3 395.456 0.832 20 0 GCADHN CCOC(=O)[C@@]12CCO[C@@H]1CCN([C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)C2 ZINC001173573059 1205724292 /nfs/dbraw/zinc/72/42/92/1205724292.db2.gz FWYZRAQZUWZZAL-ZEKKIGMLSA-N 0 3 383.441 0.771 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2CCC(OCC(=O)NC3CC3)CC2)C[C@@H]1C(=O)OC ZINC001173584495 1205725187 /nfs/dbraw/zinc/72/51/87/1205725187.db2.gz JXZZGWAPVUSDKP-RBVVOMGSSA-N 0 3 382.457 0.487 20 0 GCADHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173752248 1205727247 /nfs/dbraw/zinc/72/72/47/1205727247.db2.gz KTZCIBUWGDSFDU-IMSKVBIZSA-N 0 3 378.477 0.493 20 0 GCADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN([C@H]1CCC[C@H](n3ncnn3)C1)C2 ZINC001173757724 1205727462 /nfs/dbraw/zinc/72/74/62/1205727462.db2.gz AVPPECXXUQVAEQ-LNLFQRSKSA-N 0 3 392.504 0.743 20 0 GCADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN([C@@H]1CCC[C@H](n3ncnn3)C1)C2 ZINC001173757713 1205727717 /nfs/dbraw/zinc/72/77/17/1205727717.db2.gz AVPPECXXUQVAEQ-AOIWGVFYSA-N 0 3 392.504 0.743 20 0 GCADHN Cc1cnccc1Nc1ccccc1S(=O)(=O)N1CCN(CCO)CC1 ZINC001174539297 1205730673 /nfs/dbraw/zinc/73/06/73/1205730673.db2.gz GYVPVVOLFDCDPO-UHFFFAOYSA-N 0 3 376.482 0.854 20 0 GCADHN Cc1cnccc1Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001174538767 1205730818 /nfs/dbraw/zinc/73/08/18/1205730818.db2.gz PZDNHQOKLDLHLR-ICUGJSFKSA-N 0 3 378.450 0.448 20 0 GCADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)Nc2csc(S(N)(=O)=O)c2)cn1 ZINC001174715872 1205731930 /nfs/dbraw/zinc/73/19/30/1205731930.db2.gz AFKKAJPRLYHYAH-CHWSQXEVSA-N 0 3 383.499 0.803 20 0 GCADHN CNC(=O)Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)COC)cc1 ZINC001110175192 1205733068 /nfs/dbraw/zinc/73/30/68/1205733068.db2.gz QWMNZHABNFQLBM-NCOADZHNSA-N 0 3 376.457 0.780 20 0 GCADHN CN1CCC(CO)(NC(=O)c2nc3c(Br)cc(F)cn3n2)CC1 ZINC001175036237 1205734529 /nfs/dbraw/zinc/73/45/29/1205734529.db2.gz RZJYQRAZAXXUSQ-UHFFFAOYSA-N 0 3 386.225 0.817 20 0 GCADHN Cc1c(C(=O)NCCN(C)CCOCCO)nnn1-c1cccc2cnccc21 ZINC001175822692 1205741655 /nfs/dbraw/zinc/74/16/55/1205741655.db2.gz PRJHYZLNGBUKES-UHFFFAOYSA-N 0 3 398.467 0.794 20 0 GCADHN Cn1nccc1C1(O)CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC001175853741 1205742058 /nfs/dbraw/zinc/74/20/58/1205742058.db2.gz JLJRZFRWYQUVIS-UHFFFAOYSA-N 0 3 377.367 0.482 20 0 GCADHN CNC(=O)C1(NCCC(=O)Nc2ccccc2C(=O)NC2CC2)CCOCC1 ZINC001176184011 1205744539 /nfs/dbraw/zinc/74/45/39/1205744539.db2.gz FRDDGZPLXHBMSN-UHFFFAOYSA-N 0 3 388.468 0.792 20 0 GCADHN COC[C@@H](NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@@H]1CCCOC1 ZINC001176200534 1205745389 /nfs/dbraw/zinc/74/53/89/1205745389.db2.gz CUJXRWCIMDMYDR-GDBMZVCRSA-N 0 3 397.497 0.254 20 0 GCADHN COc1ccc(S(=O)(=O)NC2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC001176831917 1205756091 /nfs/dbraw/zinc/75/60/91/1205756091.db2.gz DPOVFGIMAFJJBE-UHFFFAOYSA-N 0 3 378.454 0.930 20 0 GCADHN Cc1nnc(SCC(=O)n2ccc(=NCCN3CCOCC3)c(N)c2)s1 ZINC001176919097 1205758092 /nfs/dbraw/zinc/75/80/92/1205758092.db2.gz NKMSIVHXJXJPSS-UHFFFAOYSA-N 0 3 394.526 0.896 20 0 GCADHN CCOC[C@H](O)CN1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001177057648 1205760668 /nfs/dbraw/zinc/76/06/68/1205760668.db2.gz WMBHBZSALOVRBS-CVEARBPZSA-N 0 3 385.505 0.928 20 0 GCADHN CN1C[C@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)CC1=O ZINC001178526403 1205788612 /nfs/dbraw/zinc/78/86/12/1205788612.db2.gz SARFTKDGYVARCI-KFWWJZLASA-N 0 3 380.489 0.522 20 0 GCADHN CN1C[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)(C)C1 ZINC001178703627 1205792582 /nfs/dbraw/zinc/79/25/82/1205792582.db2.gz IFFXWQQDVPARQG-INIZCTEOSA-N 0 3 381.498 0.778 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)Cn1c3ccccc3n(C)c1=O)CC2 ZINC001178790333 1205794637 /nfs/dbraw/zinc/79/46/37/1205794637.db2.gz NXUSHFVYLXDXMS-UHFFFAOYSA-N 0 3 399.495 0.543 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001178850721 1205795760 /nfs/dbraw/zinc/79/57/60/1205795760.db2.gz ZNIGZTIEOXCKGL-HNAYVOBHSA-N 0 3 385.505 0.928 20 0 GCADHN COC(=O)c1cccc(CN2CCC(NC(=O)CN3CCN(C)CC3)CC2)c1 ZINC001178956450 1205797676 /nfs/dbraw/zinc/79/76/76/1205797676.db2.gz UHNOLFUHOUNSJZ-UHFFFAOYSA-N 0 3 388.512 0.801 20 0 GCADHN CS(=O)(=O)Cc1n[n-]c(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001179021130 1205798286 /nfs/dbraw/zinc/79/82/86/1205798286.db2.gz OSTFTGNRSPLQSC-OAHLLOKOSA-N 0 3 391.497 0.878 20 0 GCADHN CS(=O)(=O)Cc1n[n-]c(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001179021130 1205798287 /nfs/dbraw/zinc/79/82/87/1205798287.db2.gz OSTFTGNRSPLQSC-OAHLLOKOSA-N 0 3 391.497 0.878 20 0 GCADHN CS(=O)(=O)Cc1n[n-]c(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001179021129 1205798320 /nfs/dbraw/zinc/79/83/20/1205798320.db2.gz OSTFTGNRSPLQSC-HNNXBMFYSA-N 0 3 391.497 0.878 20 0 GCADHN CS(=O)(=O)Cc1n[n-]c(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001179021129 1205798321 /nfs/dbraw/zinc/79/83/21/1205798321.db2.gz OSTFTGNRSPLQSC-HNNXBMFYSA-N 0 3 391.497 0.878 20 0 GCADHN O=C(c1cc(S(=O)(=O)N2CCC2)ccc1Cl)N1CC(N[C@H]2CCOC2)C1 ZINC001179008491 1205799385 /nfs/dbraw/zinc/79/93/85/1205799385.db2.gz LRRNOVAFWDUXAE-LBPRGKRZSA-N 0 3 399.900 0.937 20 0 GCADHN CC(=O)N1CCC([NH+]2CCC(C(=O)N=c3ncnc4[nH][n-]c(C)c3-4)CC2)CC1 ZINC001179010975 1205799409 /nfs/dbraw/zinc/79/94/09/1205799409.db2.gz PSDCCSJAVWPZTC-UHFFFAOYSA-N 0 3 385.472 0.696 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC001179074807 1205802123 /nfs/dbraw/zinc/80/21/23/1205802123.db2.gz ZGAYPLQSWCQZLN-KSSFIOAISA-N 0 3 385.505 0.567 20 0 GCADHN CCCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H]1C ZINC001179179464 1205803518 /nfs/dbraw/zinc/80/35/18/1205803518.db2.gz WOQHETXNLCXAFY-XSOIWRAYSA-N 0 3 378.473 0.225 20 0 GCADHN CC(C)CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H]1C ZINC001179184459 1205803612 /nfs/dbraw/zinc/80/36/12/1205803612.db2.gz XLMCTHIHOUIJDB-ZTOOVHTFSA-N 0 3 392.500 0.471 20 0 GCADHN Cc1cc(NC(=O)CN[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C)n(C)n1 ZINC001179184151 1205803620 /nfs/dbraw/zinc/80/36/20/1205803620.db2.gz NFRFIBRCFBLKDT-HNMUUABNSA-N 0 3 387.484 0.669 20 0 GCADHN CC(C)OCCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H]1C ZINC001179184004 1205803635 /nfs/dbraw/zinc/80/36/35/1205803635.db2.gz JJHJXUOMCCKBGX-BMSNMYEMSA-N 0 3 393.528 0.920 20 0 GCADHN Cc1c(C(=O)N[C@@H](CO)c2ncc[nH]2)nnn1-c1cccc2c1CCN(C)C2 ZINC001179172207 1205804430 /nfs/dbraw/zinc/80/44/30/1205804430.db2.gz IHZKAMDVQPDBTI-HNNXBMFYSA-N 0 3 381.440 0.750 20 0 GCADHN CN1CCC[C@@](C)(NC(=O)[C@H]2NC(=O)CC23CN(C(=O)OC(C)(C)C)C3)C1 ZINC001179225107 1205806530 /nfs/dbraw/zinc/80/65/30/1205806530.db2.gz UISHMHZJFOXYHO-RDTXWAMCSA-N 0 3 380.489 0.713 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)C1=NO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001179227407 1205806822 /nfs/dbraw/zinc/80/68/22/1205806822.db2.gz GBTSGFRKMNQZTP-MELADBBJSA-N 0 3 382.461 0.397 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001179368662 1205809066 /nfs/dbraw/zinc/80/90/66/1205809066.db2.gz NXIAKFGZNLTRLX-XUWVNRHRSA-N 0 3 383.489 0.657 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001179368660 1205809136 /nfs/dbraw/zinc/80/91/36/1205809136.db2.gz NXIAKFGZNLTRLX-LVQVYYBASA-N 0 3 383.489 0.657 20 0 GCADHN CC(C)N1CCN(CC(=O)N2CCCC23CCN(CC(=O)N(C)C)CC3)CC1 ZINC001180347585 1205821949 /nfs/dbraw/zinc/82/19/49/1205821949.db2.gz YLJQZGKDJKATJG-UHFFFAOYSA-N 0 3 393.576 0.558 20 0 GCADHN CCN(CC)CC(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001180389618 1205823465 /nfs/dbraw/zinc/82/34/65/1205823465.db2.gz ZZFVTQKMMUVXMO-YXJHDRRASA-N 0 3 375.473 0.554 20 0 GCADHN CCN(CC)CC(=O)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@H]2C ZINC001180388782 1205823512 /nfs/dbraw/zinc/82/35/12/1205823512.db2.gz PWNWCMKHGRGAET-HNNXBMFYSA-N 0 3 377.489 0.875 20 0 GCADHN C[C@H](C(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21)N1CCCC1 ZINC001180579346 1205826062 /nfs/dbraw/zinc/82/60/62/1205826062.db2.gz OMFWMOTVPKWURR-XLNGHYISSA-N 0 3 375.473 0.393 20 0 GCADHN C[C@H](C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2)N1CCCC1 ZINC001180578885 1205826267 /nfs/dbraw/zinc/82/62/67/1205826267.db2.gz LDPMFPAATIJLID-MRXNPFEDSA-N 0 3 387.484 0.795 20 0 GCADHN CN(CC(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)C1CCCC1 ZINC001180628534 1205828850 /nfs/dbraw/zinc/82/88/50/1205828850.db2.gz UKZTVRYTNXBFIA-HXUWFJFHSA-N 0 3 389.500 0.785 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)CC1CCN(C(C)=O)CC1)CC2 ZINC001180653758 1205829491 /nfs/dbraw/zinc/82/94/91/1205829491.db2.gz QJKFLKWLJOROKH-UHFFFAOYSA-N 0 3 378.517 0.838 20 0 GCADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H]4CN(C)CCO4)C3)O2)CC1 ZINC001180761095 1205830225 /nfs/dbraw/zinc/83/02/25/1205830225.db2.gz WNLJFHMTTOXLBJ-WSTZPKSXSA-N 0 3 380.533 0.105 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001181403000 1205843735 /nfs/dbraw/zinc/84/37/35/1205843735.db2.gz YUUXLXIYAKSBJP-BYNSBNAKSA-N 0 3 382.505 0.957 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)C[C@H](CCC(N)=O)NC(=O)OC(C)(C)C ZINC001181437904 1205844528 /nfs/dbraw/zinc/84/45/28/1205844528.db2.gz HUHBRLSKCRVZFH-UONOGXRCSA-N 0 3 386.493 0.324 20 0 GCADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000817528334 1205850065 /nfs/dbraw/zinc/85/00/65/1205850065.db2.gz PRICJQYPAQIPBS-RDBSUJKOSA-N 0 3 385.461 0.422 20 0 GCADHN CN1CCC(O)(C(=O)N2CCn3nnc(COCc4cccnc4)c3C2)CC1 ZINC001182030717 1205853531 /nfs/dbraw/zinc/85/35/31/1205853531.db2.gz FUFSUOCKTCBEEA-UHFFFAOYSA-N 0 3 386.456 0.189 20 0 GCADHN Cn1ccc(CN2CCOCC23CCN(C(=O)C2(O)CCN(C)CC2)CC3)n1 ZINC001182031008 1205853543 /nfs/dbraw/zinc/85/35/43/1205853543.db2.gz IGKIEBWHWQFTJD-UHFFFAOYSA-N 0 3 391.516 0.070 20 0 GCADHN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001182031011 1205853554 /nfs/dbraw/zinc/85/35/54/1205853554.db2.gz IMBJUSKNAZKVGU-INIZCTEOSA-N 0 3 381.517 0.567 20 0 GCADHN CC[C@@H]1N(C(=O)C2(O)CCN(C)CC2)CCC[C@]12CCC(=O)N2CCOC ZINC001182031064 1205853704 /nfs/dbraw/zinc/85/37/04/1205853704.db2.gz KPCQVTUQYOTBEA-LPHOPBHVSA-N 0 3 381.517 0.852 20 0 GCADHN CN1CCC(O)(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC001182030744 1205853710 /nfs/dbraw/zinc/85/37/10/1205853710.db2.gz GGWUNODHMAPIGC-UHFFFAOYSA-N 0 3 379.408 0.662 20 0 GCADHN Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)C3(O)CCN(C)CC3)C[C@H]21 ZINC001182031918 1205853818 /nfs/dbraw/zinc/85/38/18/1205853818.db2.gz QJDFGNMTMQZYCR-SJORKVTESA-N 0 3 378.473 0.160 20 0 GCADHN CN1CCC(O)(C(=O)NC[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)CO2)CC1 ZINC001182033196 1205853862 /nfs/dbraw/zinc/85/38/62/1205853862.db2.gz OHUZGVJZBUZQAL-AWEZNQCLSA-N 0 3 383.489 0.585 20 0 GCADHN CN1CCC(O)(C(=O)NCC[C@H]2CCOC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001182033105 1205853866 /nfs/dbraw/zinc/85/38/66/1205853866.db2.gz JZKIWVPTJOKTEP-HNNXBMFYSA-N 0 3 397.516 0.975 20 0 GCADHN Cn1ncc2c1CN(C(=O)C1(O)CCN(C)CC1)C[C@H]2COc1cccnc1 ZINC001182032840 1205853949 /nfs/dbraw/zinc/85/39/49/1205853949.db2.gz VANDKKCFUNPNTR-HNNXBMFYSA-N 0 3 385.468 0.777 20 0 GCADHN COC(=O)c1cc(NC(=O)C2(O)CCN(C)CC2)c(NC(C)=O)cc1OC ZINC001182032490 1205853969 /nfs/dbraw/zinc/85/39/69/1205853969.db2.gz JJHACJGCHYHLOU-UHFFFAOYSA-N 0 3 379.413 0.835 20 0 GCADHN CN1CCC(O)(C(=O)NC[C@@]23COC[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001182033113 1205854091 /nfs/dbraw/zinc/85/40/91/1205854091.db2.gz KEFNOZXIPOEPSS-KBXCAEBGSA-N 0 3 383.489 0.443 20 0 GCADHN CN1CCC(O)(C(=O)N[C@H]2CCc3c(ccc(=O)n3CCn3cccn3)C2)CC1 ZINC001182034742 1205854212 /nfs/dbraw/zinc/85/42/12/1205854212.db2.gz ZJFJZFVPRTUIHE-KRWDZBQOSA-N 0 3 399.495 0.175 20 0 GCADHN COC(=O)c1nn(C(=O)OC(C)(C)C)cc1NC(=O)C1(O)CCN(C)CC1 ZINC001182036422 1205854224 /nfs/dbraw/zinc/85/42/24/1205854224.db2.gz SBAJZBCAOAEZBH-UHFFFAOYSA-N 0 3 382.417 0.848 20 0 GCADHN C[C@@H]1C(=O)OC[C@@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001182086860 1205854741 /nfs/dbraw/zinc/85/47/41/1205854741.db2.gz MAZKGARPAMKXHE-XGUBFFRZSA-N 0 3 381.473 0.853 20 0 GCADHN CC(=O)O[C@H]1CO[C@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)S1 ZINC001182209115 1205859974 /nfs/dbraw/zinc/85/99/74/1205859974.db2.gz XTNJVXFVOHZECC-AEFFLSMTSA-N 0 3 399.513 0.558 20 0 GCADHN COc1ccc(OCCCN2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(N)=O)C3)cc1 ZINC001110269207 1205862255 /nfs/dbraw/zinc/86/22/55/1205862255.db2.gz UZOAQNLHHWBLPI-XYPHTWIQSA-N 0 3 376.457 0.854 20 0 GCADHN COc1ccc(NC(=O)[C@H]2C[C@H]2C(N)=O)cc1OCCCN1CCN(C)CC1 ZINC001182385855 1205867091 /nfs/dbraw/zinc/86/70/91/1205867091.db2.gz XXVRXWWEGASPHI-CVEARBPZSA-N 0 3 390.484 0.771 20 0 GCADHN C[S@](=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1F ZINC000774253931 1205867335 /nfs/dbraw/zinc/86/73/35/1205867335.db2.gz QWMBQMOLWCXMMX-DDDOEAIBSA-N 0 3 383.445 0.481 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000774283773 1205868926 /nfs/dbraw/zinc/86/89/26/1205868926.db2.gz SPLAYJNVSWXNRW-HIFRSBDPSA-N 0 3 386.452 0.431 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001110307887 1205872053 /nfs/dbraw/zinc/87/20/53/1205872053.db2.gz XBXOIBCFCRQSDG-RQJABVFESA-N 0 3 381.395 0.126 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H](C)C2N=NC(=O)N2C)CC1 ZINC001182675603 1205878235 /nfs/dbraw/zinc/87/82/35/1205878235.db2.gz QVLBBBDOXUNKLZ-NSHDSACASA-N 0 3 383.478 0.365 20 0 GCADHN CCOC(=O)[C@@]1(C)CC(=O)N(CN2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000774550065 1205880242 /nfs/dbraw/zinc/88/02/42/1205880242.db2.gz BEJIFPXOQQMNPE-IBGZPJMESA-N 0 3 382.505 0.232 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)CC[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC001182850610 1205882836 /nfs/dbraw/zinc/88/28/36/1205882836.db2.gz JUOXOHPBRBGVJC-CVEARBPZSA-N 0 3 390.509 0.846 20 0 GCADHN O=C(CNC(=O)c1ccc([O-])cc1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001182970546 1205884180 /nfs/dbraw/zinc/88/41/80/1205884180.db2.gz XMIDGMLBBIOUOW-UHFFFAOYSA-N 0 3 394.431 0.978 20 0 GCADHN [NH3+]CCN=c1ccc(Br)cn1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182974481 1205884883 /nfs/dbraw/zinc/88/48/83/1205884883.db2.gz KLTSIJXOPPUVJD-UHFFFAOYSA-N 0 3 393.241 0.886 20 0 GCADHN NC[C@H](NC(=O)[C@H]1CCNC1=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001183027691 1205885500 /nfs/dbraw/zinc/88/55/00/1205885500.db2.gz VUVZMKNKNBUHAM-HKUYNNGSSA-N 0 3 393.443 0.922 20 0 GCADHN C[C@@H](O)[C@@H](CO)NC(=O)C1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183130900 1205887256 /nfs/dbraw/zinc/88/72/56/1205887256.db2.gz AEHLNRNMVAFEMZ-VNQPRFMTSA-N 0 3 385.505 0.566 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)NC[C@@H]3CNC(=O)C3)CC2)C1 ZINC001183157126 1205888746 /nfs/dbraw/zinc/88/87/46/1205888746.db2.gz JKMBKRIXCYDVDA-HOCLYGCPSA-N 0 3 394.516 0.960 20 0 GCADHN CNC(=O)[C@H](C)NC(=O)C1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183159384 1205888836 /nfs/dbraw/zinc/88/88/36/1205888836.db2.gz HGNODPDLAULHTN-DZGCQCFKSA-N 0 3 382.505 0.959 20 0 GCADHN CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1)N(C)C ZINC001183363613 1205891374 /nfs/dbraw/zinc/89/13/74/1205891374.db2.gz XRHWPWGVPULOSP-WNRNVDISSA-N 0 3 391.516 0.600 20 0 GCADHN Cn1ccnc1[C@](O)(CC(=O)N[C@@H]1CCCN(CCCO)C1)C(F)(F)F ZINC001183486962 1205892573 /nfs/dbraw/zinc/89/25/73/1205892573.db2.gz QXEYTKZXZKYILS-IUODEOHRSA-N 0 3 378.395 0.523 20 0 GCADHN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)N3CC(C)(N(C)C)C3)=C([C@H]3CCCO3)S[C@H]12 ZINC001183458583 1205892894 /nfs/dbraw/zinc/89/28/94/1205892894.db2.gz AOMJVRGTNZZRIG-YXPOGWMNSA-N 0 3 381.498 0.452 20 0 GCADHN CN(C)CCN(C(=O)C1(CO)COC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001184043237 1205904450 /nfs/dbraw/zinc/90/44/50/1205904450.db2.gz IYRDENHUOOYFEM-HNNXBMFYSA-N 0 3 385.505 0.785 20 0 GCADHN CC(C)CC(=O)C(=O)N1CCc2c(nnn2C)[C@@H]1COCCN1CCCC1 ZINC001184326520 1205908376 /nfs/dbraw/zinc/90/83/76/1205908376.db2.gz GXCMPSAEVPZGBR-INIZCTEOSA-N 0 3 377.489 0.969 20 0 GCADHN N[C@@H]1NCN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)[C@H]2NCN[C@@H]21 ZINC001184404857 1205908945 /nfs/dbraw/zinc/90/89/45/1205908945.db2.gz MTGMWFUZSDFCPQ-MWQQHZPXSA-N 0 3 378.908 0.071 20 0 GCADHN COC(=O)CNC(=O)CNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184407520 1205909435 /nfs/dbraw/zinc/90/94/35/1205909435.db2.gz RTZUEWICBUYWCD-AWEZNQCLSA-N 0 3 381.860 0.957 20 0 GCADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NCCc1ccccc1 ZINC001184425777 1205910563 /nfs/dbraw/zinc/91/05/63/1205910563.db2.gz ZADKHKHDLANRDG-KKEPMVJESA-N 0 3 383.492 0.959 20 0 GCADHN CN(CC(F)(F)F)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184434202 1205910711 /nfs/dbraw/zinc/91/07/11/1205910711.db2.gz ULZFWPMXKAEJOU-JWOJSXKRSA-N 0 3 375.391 0.621 20 0 GCADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NCc1ccco1 ZINC001184483453 1205911061 /nfs/dbraw/zinc/91/10/61/1205911061.db2.gz KWQQRRUILQRQNI-JSSFPYSZSA-N 0 3 377.441 0.138 20 0 GCADHN Nc1cn(C(=O)c2[n-]c(=O)ccc2Cl)ccc1=[NH+]CCN1CCOCC1 ZINC001184797589 1205913741 /nfs/dbraw/zinc/91/37/41/1205913741.db2.gz AGFUBAOAGVGYBF-UHFFFAOYSA-N 0 3 377.832 0.437 20 0 GCADHN C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)c1[n-]c(=O)ccc1Cl)CC2 ZINC001184802776 1205913977 /nfs/dbraw/zinc/91/39/77/1205913977.db2.gz MUBDJOYSGPCOFW-UHFFFAOYSA-N 0 3 393.831 0.345 20 0 GCADHN C[C@H](C(=O)N1C[C@@H]2OCCN(C(=O)NCC(F)(F)F)[C@H]2C1)N1CCCC1 ZINC001273504245 1205922639 /nfs/dbraw/zinc/92/26/39/1205922639.db2.gz DICQNPQQKIXDPC-AGIUHOORSA-N 0 3 378.395 0.654 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]21)N1CCCC1 ZINC001273504254 1205922767 /nfs/dbraw/zinc/92/27/67/1205922767.db2.gz DKHSWIVFHCUIMC-SOUVJXGZSA-N 0 3 381.502 0.126 20 0 GCADHN C[C@H](C(=O)N1C[C@@H]2CN(C(=O)NCC(F)(F)F)C[C@H](C1)O2)N1CCCC1 ZINC001273504830 1205922889 /nfs/dbraw/zinc/92/28/89/1205922889.db2.gz MQWQQNBAHBPVLA-UPJWGTAASA-N 0 3 378.395 0.654 20 0 GCADHN COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@]1(C)CCCN(C)C1)C(C)C ZINC001185684740 1205927316 /nfs/dbraw/zinc/92/73/16/1205927316.db2.gz BLGJWSVXKVAMRI-DOXZYTNZSA-N 0 3 382.505 0.959 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N1CCCC2(C1)OCCO2)Cc1ccccc1 ZINC000774917747 1205928441 /nfs/dbraw/zinc/92/84/41/1205928441.db2.gz IOWSDVNZPRRJPM-KRWDZBQOSA-N 0 3 375.469 0.641 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1)Cc1ccccc1 ZINC000774926897 1205929243 /nfs/dbraw/zinc/92/92/43/1205929243.db2.gz XUBLMKNSXHOQIJ-ZWKOTPCHSA-N 0 3 389.496 0.887 20 0 GCADHN CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCOC[C@@H]1CN(C)C ZINC001185835907 1205929799 /nfs/dbraw/zinc/92/97/99/1205929799.db2.gz ZJNBOCNNMZKETD-ARFHVFGLSA-N 0 3 399.488 0.574 20 0 GCADHN N=C(N)N(C(=O)c1ccc(OCC(N)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC001186071860 1205933925 /nfs/dbraw/zinc/93/39/25/1205933925.db2.gz OXEQSSCQRLEMGG-UHFFFAOYSA-N 0 3 397.435 0.928 20 0 GCADHN COC(=O)c1cccc(CN2CCC(NC(=O)CN3CC[C@@H](O)C3)CC2)c1 ZINC001186055085 1205934493 /nfs/dbraw/zinc/93/44/93/1205934493.db2.gz KLCGTGRLUDZNAB-GOSISDBHSA-N 0 3 375.469 0.620 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000775001868 1205938064 /nfs/dbraw/zinc/93/80/64/1205938064.db2.gz FYDCKFPHKJHBSK-LSDHHAIUSA-N 0 3 382.505 0.960 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000775037743 1205943478 /nfs/dbraw/zinc/94/34/78/1205943478.db2.gz MHYFBHLDBRHFDI-HUUCEWRRSA-N 0 3 382.505 0.960 20 0 GCADHN CN1CCN(C[C@H]2Cn3ccnc3CN(C(=O)NCC3CCOCC3)C2)CC1 ZINC001186919315 1205951952 /nfs/dbraw/zinc/95/19/52/1205951952.db2.gz PABMZQXGZYBBRE-SFHVURJKSA-N 0 3 390.532 0.699 20 0 GCADHN CCOC(=O)CCNC(=O)N1Cc2nccn2C[C@@H](CN2CCN(C)CC2)C1 ZINC001187194505 1205956962 /nfs/dbraw/zinc/95/69/62/1205956962.db2.gz XHGUEVLZPKBYGG-MRXNPFEDSA-N 0 3 392.504 0.225 20 0 GCADHN O=C(CNC(=O)[C@@H]1CCC(=O)N1)NCCN1CCC(Cc2ccccc2)CC1 ZINC001187521225 1205964632 /nfs/dbraw/zinc/96/46/32/1205964632.db2.gz WCJALJBNYPJLEE-SFHVURJKSA-N 0 3 386.496 0.452 20 0 GCADHN Nc1cn(C(=O)c2nc(C(F)(F)F)c[nH]2)ccc1=NCCN1CCOCC1 ZINC001188280412 1205978923 /nfs/dbraw/zinc/97/89/23/1205978923.db2.gz FZMYPEJLDAZJNH-UHFFFAOYSA-N 0 3 384.362 0.734 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1nc2ncc(Br)cn2n1 ZINC000110866339 1205979849 /nfs/dbraw/zinc/97/98/49/1205979849.db2.gz FJGFPWMRQLFOFF-UHFFFAOYSA-N 0 3 396.293 0.596 20 0 GCADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1 ZINC001188390104 1205981740 /nfs/dbraw/zinc/98/17/40/1205981740.db2.gz RPPOCDUKUHLFCG-IBGZPJMESA-N 0 3 375.473 0.588 20 0 GCADHN CCn1ccnc1CN[C@@]12CC[C@@](NC(=O)CCS(N)(=O)=O)(C1)CCC2 ZINC001273581224 1206006516 /nfs/dbraw/zinc/00/65/16/1206006516.db2.gz XYKCLQCLYHUJJX-DLBZAZTESA-N 0 3 383.518 0.633 20 0 GCADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3ccn(C(F)F)n3)CC2)C1=O ZINC001189445248 1206007196 /nfs/dbraw/zinc/00/71/96/1206007196.db2.gz CDNIFFZMMFSASW-UHFFFAOYSA-N 0 3 398.458 0.589 20 0 GCADHN COCCN1CCO[C@@H]2CN(S(=O)(=O)c3ncc(F)cc3F)CC[C@@H]2C1 ZINC001190152047 1206027030 /nfs/dbraw/zinc/02/70/30/1206027030.db2.gz BZISCCJLBYJVJP-IUODEOHRSA-N 0 3 391.440 0.718 20 0 GCADHN CN1CCN(C2CC[NH+](C3CCN(S(=O)(=O)c4ncc[n-]4)CC3)CC2)CC1 ZINC001190716653 1206043599 /nfs/dbraw/zinc/04/35/99/1206043599.db2.gz VUEFIBJKWHKHSB-UHFFFAOYSA-N 0 3 396.561 0.275 20 0 GCADHN CN(C)c1cncc(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)n1 ZINC001190725003 1206044485 /nfs/dbraw/zinc/04/44/85/1206044485.db2.gz RLRZKSVRFPHNMM-UHFFFAOYSA-N 0 3 393.455 0.869 20 0 GCADHN CN(C)CCn1c(=O)ccc2c1CCN(S(=O)(=O)c1ccncc1)CC2 ZINC001190864177 1206049039 /nfs/dbraw/zinc/04/90/39/1206049039.db2.gz HXQLYRNRIMWVAN-UHFFFAOYSA-N 0 3 376.482 0.594 20 0 GCADHN Cn1cncc1CN1C[C@]2(CCN(C(=O)c3[nH]ncc3Cl)C2)OCC1=O ZINC001273612679 1206052998 /nfs/dbraw/zinc/05/29/98/1206052998.db2.gz XOTSJFKKHFATDS-MRXNPFEDSA-N 0 3 378.820 0.440 20 0 GCADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCNC[C@H]1C(=O)OC ZINC001164619203 719131301 /nfs/dbraw/zinc/13/13/01/719131301.db2.gz CXKPSKCUADOFNI-VIFPVBQESA-N 0 3 378.763 0.803 20 0 GCADHN CN(C)c1cccc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)n1 ZINC001164703228 719935945 /nfs/dbraw/zinc/93/59/45/719935945.db2.gz JLRSECFZCVPJHB-UHFFFAOYSA-N 0 3 383.500 0.831 20 0 GCADHN c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164744167 720724978 /nfs/dbraw/zinc/72/49/78/720724978.db2.gz RIWQEJRLBPBHJQ-HOTGVXAUSA-N 0 3 383.456 0.445 20 0 GCADHN CON(C)C(=O)c1cccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744604 720737509 /nfs/dbraw/zinc/73/75/09/720737509.db2.gz RPJYXCCLIQMELS-HUUCEWRRSA-N 0 3 384.440 0.847 20 0 GCADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164739420 720758191 /nfs/dbraw/zinc/75/81/91/720758191.db2.gz IOBQVAAMOFLKCJ-UONOGXRCSA-N 0 3 390.469 0.122 20 0 GCADHN c1ncn(-c2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)n1 ZINC001164873602 721159795 /nfs/dbraw/zinc/15/97/95/721159795.db2.gz IXARNDSNYMZGTN-IRXDYDNUSA-N 0 3 378.440 0.932 20 0 GCADHN Cn1cc(CN2CC[C@H]3CN(c4cccc(S(N)(=O)=O)n4)C[C@H]3C2)cn1 ZINC001164759726 721244149 /nfs/dbraw/zinc/24/41/49/721244149.db2.gz BCROHCDAGHEWOT-LSDHHAIUSA-N 0 3 376.486 0.421 20 0 GCADHN c1cncc(CN2CCOC[C@]3(CN(c4ncnc5c4CCNC5)CCO3)C2)c1 ZINC001164912798 721774051 /nfs/dbraw/zinc/77/40/51/721774051.db2.gz PZMDHTOTPUBKMM-OAQYLSRUSA-N 0 3 396.495 0.625 20 0 GCADHN c1cncc(CN2CCOC[C@@]3(CN(c4ncnc5c4CCNC5)CCO3)C2)c1 ZINC001164912792 721774082 /nfs/dbraw/zinc/77/40/82/721774082.db2.gz PZMDHTOTPUBKMM-NRFANRHFSA-N 0 3 396.495 0.625 20 0 GCADHN Cn1ccc(CN2CCOCC23CCN(c2ncc4c(n2)CCNC4)CC3)n1 ZINC001164934109 721903412 /nfs/dbraw/zinc/90/34/12/721903412.db2.gz VVNCQCRVUVZRLV-UHFFFAOYSA-N 0 3 383.500 0.727 20 0 GCADHN Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)nnn1C ZINC001571257798 945344645 /nfs/dbraw/zinc/34/46/45/945344645.db2.gz JSBCKAIRXKMMTH-HAQNSBGRSA-N 0 3 385.407 0.493 20 0 GCADHN Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)nnn1C ZINC001571257798 945344656 /nfs/dbraw/zinc/34/46/56/945344656.db2.gz JSBCKAIRXKMMTH-HAQNSBGRSA-N 0 3 385.407 0.493 20 0 GCADHN Cc1nn[nH]c1C(=O)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571258591 945358386 /nfs/dbraw/zinc/35/83/86/945358386.db2.gz WTVSATLPCLQSBC-UHFFFAOYSA-N 0 3 385.407 0.731 20 0 GCADHN Cc1nn[nH]c1C(=O)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571258591 945358398 /nfs/dbraw/zinc/35/83/98/945358398.db2.gz WTVSATLPCLQSBC-UHFFFAOYSA-N 0 3 385.407 0.731 20 0 GCADHN C[NH+](C)CCNC(=O)C1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000736769911 944886430 /nfs/dbraw/zinc/88/64/30/944886430.db2.gz WTAMDPUDPZJIOZ-UHFFFAOYSA-N 0 3 377.474 0.458 20 0 GCADHN C[NH+](C)CCNC(=O)C1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000736769911 944886436 /nfs/dbraw/zinc/88/64/36/944886436.db2.gz WTAMDPUDPZJIOZ-UHFFFAOYSA-N 0 3 377.474 0.458 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736860779 944900584 /nfs/dbraw/zinc/90/05/84/944900584.db2.gz VZKBYUYKLVGWOW-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736860779 944900594 /nfs/dbraw/zinc/90/05/94/944900594.db2.gz VZKBYUYKLVGWOW-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736860779 944900600 /nfs/dbraw/zinc/90/06/00/944900600.db2.gz VZKBYUYKLVGWOW-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736860779 944900610 /nfs/dbraw/zinc/90/06/10/944900610.db2.gz VZKBYUYKLVGWOW-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1COC(=O)N1 ZINC001571259932 945403710 /nfs/dbraw/zinc/40/37/10/945403710.db2.gz SGAQFRBYGAFGPL-NWANDNLSSA-N 0 3 385.428 0.350 20 0 GCADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1COC(=O)N1 ZINC001571259932 945403714 /nfs/dbraw/zinc/40/37/14/945403714.db2.gz SGAQFRBYGAFGPL-NWANDNLSSA-N 0 3 385.428 0.350 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1COC(=O)N1 ZINC001571260225 945409915 /nfs/dbraw/zinc/40/99/15/945409915.db2.gz YIOWYJWVHDDEED-WFASDCNBSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1COC(=O)N1 ZINC001571260225 945409923 /nfs/dbraw/zinc/40/99/23/945409923.db2.gz YIOWYJWVHDDEED-WFASDCNBSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1COC(=O)N1 ZINC001571260225 945409933 /nfs/dbraw/zinc/40/99/33/945409933.db2.gz YIOWYJWVHDDEED-WFASDCNBSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1COC(=O)N1 ZINC001571260225 945409945 /nfs/dbraw/zinc/40/99/45/945409945.db2.gz YIOWYJWVHDDEED-WFASDCNBSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1COC(=O)N1 ZINC001571260222 945410173 /nfs/dbraw/zinc/41/01/73/945410173.db2.gz YIOWYJWVHDDEED-DOMZBBRYSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1COC(=O)N1 ZINC001571260222 945410181 /nfs/dbraw/zinc/41/01/81/945410181.db2.gz YIOWYJWVHDDEED-DOMZBBRYSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1COC(=O)N1 ZINC001571260222 945410190 /nfs/dbraw/zinc/41/01/90/945410190.db2.gz YIOWYJWVHDDEED-DOMZBBRYSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1COC(=O)N1 ZINC001571260222 945410196 /nfs/dbraw/zinc/41/01/96/945410196.db2.gz YIOWYJWVHDDEED-DOMZBBRYSA-N 0 3 385.428 0.303 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571263803 945467458 /nfs/dbraw/zinc/46/74/58/945467458.db2.gz BIELABMGGNBPRB-GOEBONIOSA-N 0 3 385.472 0.518 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571263803 945467465 /nfs/dbraw/zinc/46/74/65/945467465.db2.gz BIELABMGGNBPRB-GOEBONIOSA-N 0 3 385.472 0.518 20 0 GCADHN CO[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001571264480 945485844 /nfs/dbraw/zinc/48/58/44/945485844.db2.gz PJVKCCOGMDOLLQ-BRWVUGGUSA-N 0 3 385.472 0.276 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001571264915 945494441 /nfs/dbraw/zinc/49/44/41/945494441.db2.gz AJRYNKDAQPARMR-CYBMUJFWSA-N 0 3 385.476 0.487 20 0 GCADHN CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001571265010 945496789 /nfs/dbraw/zinc/49/67/89/945496789.db2.gz AXXRGCSKVWTFLI-OLZOCXBDSA-N 0 3 385.476 0.256 20 0 GCADHN CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001571265010 945496796 /nfs/dbraw/zinc/49/67/96/945496796.db2.gz AXXRGCSKVWTFLI-OLZOCXBDSA-N 0 3 385.476 0.256 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265066 945500353 /nfs/dbraw/zinc/50/03/53/945500353.db2.gz BMBQUUKHWFOVCU-ZQDZILKHSA-N 0 3 385.472 0.919 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265066 945500361 /nfs/dbraw/zinc/50/03/61/945500361.db2.gz BMBQUUKHWFOVCU-ZQDZILKHSA-N 0 3 385.472 0.919 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@@H+](CCC[C@H]3CCOC3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265066 945500367 /nfs/dbraw/zinc/50/03/67/945500367.db2.gz BMBQUUKHWFOVCU-ZQDZILKHSA-N 0 3 385.472 0.919 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265066 945500373 /nfs/dbraw/zinc/50/03/73/945500373.db2.gz BMBQUUKHWFOVCU-ZQDZILKHSA-N 0 3 385.472 0.919 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571265167 945502471 /nfs/dbraw/zinc/50/24/71/945502471.db2.gz FMOFAJOWVXRCJO-OAHLLOKOSA-N 0 3 385.476 0.792 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571265167 945502476 /nfs/dbraw/zinc/50/24/76/945502476.db2.gz FMOFAJOWVXRCJO-OAHLLOKOSA-N 0 3 385.476 0.792 20 0 GCADHN CC1CC[NH+](CC(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571265737 945518531 /nfs/dbraw/zinc/51/85/31/945518531.db2.gz JHFPCNBMXRNRFG-CQSZACIVSA-N 0 3 385.476 0.426 20 0 GCADHN CC[C@H](C(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21)[NH+](C)C ZINC001571265756 945518705 /nfs/dbraw/zinc/51/87/05/945518705.db2.gz JPHFTFZOUSFDSM-NWANDNLSSA-N 0 3 385.476 0.342 20 0 GCADHN CC(C)(C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCC1 ZINC001571265741 945519187 /nfs/dbraw/zinc/51/91/87/945519187.db2.gz JJTPTIGSBHGDLM-CYBMUJFWSA-N 0 3 385.476 0.934 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571266041 945528809 /nfs/dbraw/zinc/52/88/09/945528809.db2.gz UMOHSMKPUSAGQC-UKRRQHHQSA-N 0 3 385.476 0.934 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571266041 945528819 /nfs/dbraw/zinc/52/88/19/945528819.db2.gz UMOHSMKPUSAGQC-UKRRQHHQSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000820723204 945537691 /nfs/dbraw/zinc/53/76/91/945537691.db2.gz XDYRKSKWARIPMG-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000820723204 945537701 /nfs/dbraw/zinc/53/77/01/945537701.db2.gz XDYRKSKWARIPMG-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000820723204 945537708 /nfs/dbraw/zinc/53/77/08/945537708.db2.gz XDYRKSKWARIPMG-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000820723204 945537720 /nfs/dbraw/zinc/53/77/20/945537720.db2.gz XDYRKSKWARIPMG-GFCCVEGCSA-N 0 3 381.444 0.706 20 0 GCADHN CC(C)[C@@H](C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001571266713 945548861 /nfs/dbraw/zinc/54/88/61/945548861.db2.gz XWHKNSFCQYOPHH-BBRMVZONSA-N 0 3 385.476 0.790 20 0 GCADHN CC(C)[C@@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001571266714 945549142 /nfs/dbraw/zinc/54/91/42/945549142.db2.gz XWHKNSFCQYOPHH-CJNGLKHVSA-N 0 3 385.476 0.790 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266712 945549600 /nfs/dbraw/zinc/54/96/00/945549600.db2.gz XRIFTHFOEJETKO-UKRRQHHQSA-N 0 3 385.476 0.615 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266712 945549605 /nfs/dbraw/zinc/54/96/05/945549605.db2.gz XRIFTHFOEJETKO-UKRRQHHQSA-N 0 3 385.476 0.615 20 0 GCADHN O=C(CN1CCOCC1)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571266700 945550275 /nfs/dbraw/zinc/55/02/75/945550275.db2.gz XCWIJQRNUHLTNS-UHFFFAOYSA-N 0 3 385.472 0.280 20 0 GCADHN O=C(CN1CCOCC1)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571266700 945550281 /nfs/dbraw/zinc/55/02/81/945550281.db2.gz XCWIJQRNUHLTNS-UHFFFAOYSA-N 0 3 385.472 0.280 20 0 GCADHN C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820752521 945551336 /nfs/dbraw/zinc/55/13/36/945551336.db2.gz NXCCQARRCPOJQA-CZUORRHYSA-N 0 3 397.487 0.576 20 0 GCADHN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820752521 945551342 /nfs/dbraw/zinc/55/13/42/945551342.db2.gz NXCCQARRCPOJQA-CZUORRHYSA-N 0 3 397.487 0.576 20 0 GCADHN C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001571266813 945553997 /nfs/dbraw/zinc/55/39/97/945553997.db2.gz ZPDZNROPEIBPSG-OLZOCXBDSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571268363 945594369 /nfs/dbraw/zinc/59/43/69/945594369.db2.gz FFJQESMXGRILDD-UIJSSTANSA-N 0 3 386.431 0.979 20 0 GCADHN C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571268363 945594375 /nfs/dbraw/zinc/59/43/75/945594375.db2.gz FFJQESMXGRILDD-UIJSSTANSA-N 0 3 386.431 0.979 20 0 GCADHN O=C(N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F)C12CC[NH+](CC1)C2 ZINC001571268953 945607551 /nfs/dbraw/zinc/60/75/51/945607551.db2.gz LKPYYXFIXMULGR-ZDUSSCGKSA-N 0 3 386.435 0.900 20 0 GCADHN O=C(N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F)C12CC[NH+](CC1)C2 ZINC001571268953 945607555 /nfs/dbraw/zinc/60/75/55/945607555.db2.gz LKPYYXFIXMULGR-ZDUSSCGKSA-N 0 3 386.435 0.900 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821351470 945679087 /nfs/dbraw/zinc/67/90/87/945679087.db2.gz QVNDKNMEYQUHCC-AWEZNQCLSA-N 0 3 375.433 0.278 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821351470 945679090 /nfs/dbraw/zinc/67/90/90/945679090.db2.gz QVNDKNMEYQUHCC-AWEZNQCLSA-N 0 3 375.433 0.278 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821352270 945680079 /nfs/dbraw/zinc/68/00/79/945680079.db2.gz ZXGZBGOWANRPSN-CQSZACIVSA-N 0 3 389.460 0.587 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001571273168 945682064 /nfs/dbraw/zinc/68/20/64/945682064.db2.gz RGAFMLPBTKBHIM-MRVWCRGKSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+][C@@H]1CCCN(C)C1=O ZINC001571273168 945682068 /nfs/dbraw/zinc/68/20/68/945682068.db2.gz RGAFMLPBTKBHIM-MRVWCRGKSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273361 945685174 /nfs/dbraw/zinc/68/51/74/945685174.db2.gz WDBKLTHTHOMBNX-QWHCGFSZSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273361 945685179 /nfs/dbraw/zinc/68/51/79/945685179.db2.gz WDBKLTHTHOMBNX-QWHCGFSZSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273361 945685184 /nfs/dbraw/zinc/68/51/84/945685184.db2.gz WDBKLTHTHOMBNX-QWHCGFSZSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273361 945685188 /nfs/dbraw/zinc/68/51/88/945685188.db2.gz WDBKLTHTHOMBNX-QWHCGFSZSA-N 0 3 386.460 0.257 20 0 GCADHN CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C1 ZINC001571273497 945690973 /nfs/dbraw/zinc/69/09/73/945690973.db2.gz YOQRXZADUIGSSO-RWMBFGLXSA-N 0 3 386.460 0.113 20 0 GCADHN CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C1 ZINC001571273497 945690978 /nfs/dbraw/zinc/69/09/78/945690978.db2.gz YOQRXZADUIGSSO-RWMBFGLXSA-N 0 3 386.460 0.113 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275778 945716237 /nfs/dbraw/zinc/71/62/37/945716237.db2.gz CDKMDRVQRCBWFV-GJZGRUSLSA-N 0 3 386.456 0.992 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275778 945716242 /nfs/dbraw/zinc/71/62/42/945716242.db2.gz CDKMDRVQRCBWFV-GJZGRUSLSA-N 0 3 386.456 0.992 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001571275864 945719208 /nfs/dbraw/zinc/71/92/08/945719208.db2.gz DKOKZCQBKJGEHH-KXBFYZLASA-N 0 3 386.456 0.992 20 0 GCADHN CC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571276556 945732441 /nfs/dbraw/zinc/73/24/41/945732441.db2.gz ILGZRBABAJXCEM-QJZXMWHDSA-N 0 3 386.460 0.432 20 0 GCADHN CC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571276556 945732452 /nfs/dbraw/zinc/73/24/52/945732452.db2.gz ILGZRBABAJXCEM-QJZXMWHDSA-N 0 3 386.460 0.432 20 0 GCADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571276673 945734422 /nfs/dbraw/zinc/73/44/22/945734422.db2.gz IZBYBOQUXLEVMQ-DZGCQCFKSA-N 0 3 387.419 0.365 20 0 GCADHN CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001571276643 945735100 /nfs/dbraw/zinc/73/51/00/945735100.db2.gz KASZZHHDMORMOH-MGPQQGTHSA-N 0 3 386.460 0.446 20 0 GCADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571276674 945735213 /nfs/dbraw/zinc/73/52/13/945735213.db2.gz IZBYBOQUXLEVMQ-UKRRQHHQSA-N 0 3 387.419 0.365 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821600675 945737451 /nfs/dbraw/zinc/73/74/51/945737451.db2.gz XZPMBOKAQMFUKG-UHFFFAOYSA-N 0 3 391.451 0.994 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821600675 945737455 /nfs/dbraw/zinc/73/74/55/945737455.db2.gz XZPMBOKAQMFUKG-UHFFFAOYSA-N 0 3 391.451 0.994 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821600675 945737465 /nfs/dbraw/zinc/73/74/65/945737465.db2.gz XZPMBOKAQMFUKG-UHFFFAOYSA-N 0 3 391.451 0.994 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821600675 945737473 /nfs/dbraw/zinc/73/74/73/945737473.db2.gz XZPMBOKAQMFUKG-UHFFFAOYSA-N 0 3 391.451 0.994 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1NCc1cc(-c2nn[nH]n2)ccc1F ZINC001571277347 945740392 /nfs/dbraw/zinc/74/03/92/945740392.db2.gz PCGYGFWTXVTNCR-VCTAVGKDSA-N 0 3 387.419 0.221 20 0 GCADHN O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)[C@H]1COCCO1 ZINC001571278511 945753741 /nfs/dbraw/zinc/75/37/41/945753741.db2.gz OQPULWKVPMTBOK-BRWVUGGUSA-N 0 3 386.456 0.799 20 0 GCADHN O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)[C@H]1COCCO1 ZINC001571278511 945753748 /nfs/dbraw/zinc/75/37/48/945753748.db2.gz OQPULWKVPMTBOK-BRWVUGGUSA-N 0 3 386.456 0.799 20 0 GCADHN COc1ccc(-c2nnn[n-]2)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001571278961 945764758 /nfs/dbraw/zinc/76/47/58/945764758.db2.gz SQTBGZYAGGZKQH-NOLJZWGESA-N 0 3 386.456 0.896 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001571278961 945764767 /nfs/dbraw/zinc/76/47/67/945764767.db2.gz SQTBGZYAGGZKQH-NOLJZWGESA-N 0 3 386.456 0.896 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571278960 945765244 /nfs/dbraw/zinc/76/52/44/945765244.db2.gz SQKYYTWXHHXDEN-SJORKVTESA-N 0 3 386.456 0.753 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571278960 945765248 /nfs/dbraw/zinc/76/52/48/945765248.db2.gz SQKYYTWXHHXDEN-SJORKVTESA-N 0 3 386.456 0.753 20 0 GCADHN O=C(CO[C@H]1CCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571279355 945775152 /nfs/dbraw/zinc/77/51/52/945775152.db2.gz VNNXUEORQAJTIM-SJORKVTESA-N 0 3 386.456 0.753 20 0 GCADHN O=C(CO[C@H]1CCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571279355 945775159 /nfs/dbraw/zinc/77/51/59/945775159.db2.gz VNNXUEORQAJTIM-SJORKVTESA-N 0 3 386.456 0.753 20 0 GCADHN O=C(CO[C@@H]1CCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571279354 945775429 /nfs/dbraw/zinc/77/54/29/945775429.db2.gz VNNXUEORQAJTIM-IAGOWNOFSA-N 0 3 386.456 0.753 20 0 GCADHN O=C(CO[C@@H]1CCOC1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571279354 945775432 /nfs/dbraw/zinc/77/54/32/945775432.db2.gz VNNXUEORQAJTIM-IAGOWNOFSA-N 0 3 386.456 0.753 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001571279636 945785008 /nfs/dbraw/zinc/78/50/08/945785008.db2.gz XFNZIOACDKQZGK-BBRMVZONSA-N 0 3 386.456 0.992 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573447928 945803988 /nfs/dbraw/zinc/80/39/88/945803988.db2.gz FXVXOQCPRWGGOZ-OAHLLOKOSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573447928 945804003 /nfs/dbraw/zinc/80/40/03/945804003.db2.gz FXVXOQCPRWGGOZ-OAHLLOKOSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573449324 945820284 /nfs/dbraw/zinc/82/02/84/945820284.db2.gz YTZRRMPFILYRTE-MEDUHNTESA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573449324 945820293 /nfs/dbraw/zinc/82/02/93/945820293.db2.gz YTZRRMPFILYRTE-MEDUHNTESA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573451445 945839371 /nfs/dbraw/zinc/83/93/71/945839371.db2.gz WPEUGTLZMKMWFI-DOTOQJQBSA-N 0 3 384.419 0.843 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573455671 945884485 /nfs/dbraw/zinc/88/44/85/945884485.db2.gz GHNZHXMLAKJRRP-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573455671 945884500 /nfs/dbraw/zinc/88/45/00/945884500.db2.gz GHNZHXMLAKJRRP-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573456588 945895523 /nfs/dbraw/zinc/89/55/23/945895523.db2.gz MJDDKNYKKFPMQB-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573457323 945904710 /nfs/dbraw/zinc/90/47/10/945904710.db2.gz VRGFRYCIYCKFFB-CQSZACIVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573457323 945904722 /nfs/dbraw/zinc/90/47/22/945904722.db2.gz VRGFRYCIYCKFFB-CQSZACIVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573458888 945911154 /nfs/dbraw/zinc/91/11/54/945911154.db2.gz AQTBOEYTZDKHNP-ZDUSSCGKSA-N 0 3 389.435 0.611 20 0 GCADHN O=C(C1=COCCO1)N1CCC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571285311 945914037 /nfs/dbraw/zinc/91/40/37/945914037.db2.gz AVNPGDWHLOKHTC-CQSZACIVSA-N 0 3 388.403 0.975 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573459610 945914861 /nfs/dbraw/zinc/91/48/61/945914861.db2.gz HJMKYBPIMDJFQP-WDEREUQCSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573459610 945914871 /nfs/dbraw/zinc/91/48/71/945914871.db2.gz HJMKYBPIMDJFQP-WDEREUQCSA-N 0 3 391.451 0.903 20 0 GCADHN C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571285710 945925141 /nfs/dbraw/zinc/92/51/41/945925141.db2.gz MDPWOKZDASIKAS-IAQYHMDHSA-N 0 3 388.403 0.831 20 0 GCADHN C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571285710 945925146 /nfs/dbraw/zinc/92/51/46/945925146.db2.gz MDPWOKZDASIKAS-IAQYHMDHSA-N 0 3 388.403 0.831 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)C1=COCCO1 ZINC001571285698 945925371 /nfs/dbraw/zinc/92/53/71/945925371.db2.gz LULLHFCRSXFCPN-UHFFFAOYSA-N 0 3 388.403 0.878 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)C1=COCCO1 ZINC001571285698 945925382 /nfs/dbraw/zinc/92/53/82/945925382.db2.gz LULLHFCRSXFCPN-UHFFFAOYSA-N 0 3 388.403 0.878 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573462002 945927888 /nfs/dbraw/zinc/92/78/88/945927888.db2.gz VRFJAGIFAWCBCT-MRXNPFEDSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573462002 945927898 /nfs/dbraw/zinc/92/78/98/945927898.db2.gz VRFJAGIFAWCBCT-MRXNPFEDSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573462803 945947820 /nfs/dbraw/zinc/94/78/20/945947820.db2.gz NMTRHBNDBSNROO-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573462803 945947826 /nfs/dbraw/zinc/94/78/26/945947826.db2.gz NMTRHBNDBSNROO-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573464876 945968043 /nfs/dbraw/zinc/96/80/43/945968043.db2.gz QWRLBNGRHOYQFG-KOMQPUFPSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573464876 945968046 /nfs/dbraw/zinc/96/80/46/945968046.db2.gz QWRLBNGRHOYQFG-KOMQPUFPSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467421 945979580 /nfs/dbraw/zinc/97/95/80/945979580.db2.gz DNDCVGHFPOZKNY-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467421 945979588 /nfs/dbraw/zinc/97/95/88/945979588.db2.gz DNDCVGHFPOZKNY-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467428 945981840 /nfs/dbraw/zinc/98/18/40/945981840.db2.gz DRHNLFJKHTXSPS-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467428 945981843 /nfs/dbraw/zinc/98/18/43/945981843.db2.gz DRHNLFJKHTXSPS-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573468150 945992050 /nfs/dbraw/zinc/99/20/50/945992050.db2.gz LDWKOYWOMUWNTO-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573468150 945992057 /nfs/dbraw/zinc/99/20/57/945992057.db2.gz LDWKOYWOMUWNTO-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573468331 945992591 /nfs/dbraw/zinc/99/25/91/945992591.db2.gz MKNKIXLLOFFWFL-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571289232 945998558 /nfs/dbraw/zinc/99/85/58/945998558.db2.gz XTBYNOMSKSIHMP-HNNXBMFYSA-N 0 3 388.451 0.922 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571289232 945998563 /nfs/dbraw/zinc/99/85/63/945998563.db2.gz XTBYNOMSKSIHMP-HNNXBMFYSA-N 0 3 388.451 0.922 20 0 GCADHN COc1cc(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)sn1 ZINC001571289544 946009092 /nfs/dbraw/zinc/00/90/92/946009092.db2.gz HFVZECOEWLBESM-SNVBAGLBSA-N 0 3 388.457 0.912 20 0 GCADHN Cn1cc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)[nH]c1=O ZINC001571289639 946013197 /nfs/dbraw/zinc/01/31/97/946013197.db2.gz JFGREWVLHVUYPN-UHFFFAOYSA-N 0 3 388.457 0.762 20 0 GCADHN Cn1cc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)[nH]c1=O ZINC001571289876 946020852 /nfs/dbraw/zinc/02/08/52/946020852.db2.gz ORHREBFOTOVAIZ-UHFFFAOYSA-N 0 3 388.457 0.666 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470431 946023944 /nfs/dbraw/zinc/02/39/44/946023944.db2.gz FDKONHVMFGOYDO-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470431 946023955 /nfs/dbraw/zinc/02/39/55/946023955.db2.gz FDKONHVMFGOYDO-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470429 946024907 /nfs/dbraw/zinc/02/49/07/946024907.db2.gz FDKONHVMFGOYDO-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470429 946024919 /nfs/dbraw/zinc/02/49/19/946024919.db2.gz FDKONHVMFGOYDO-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470419 946025245 /nfs/dbraw/zinc/02/52/45/946025245.db2.gz FCPNGFPBXFHPMF-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573470419 946025257 /nfs/dbraw/zinc/02/52/57/946025257.db2.gz FCPNGFPBXFHPMF-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN O=C(CC[NH+]1CCCCC1)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571290277 946033671 /nfs/dbraw/zinc/03/36/71/946033671.db2.gz ZDKYHMDHKNRXNX-UHFFFAOYSA-N 0 3 388.451 0.925 20 0 GCADHN O=C(CC[NH+]1CCCCC1)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571290277 946033682 /nfs/dbraw/zinc/03/36/82/946033682.db2.gz ZDKYHMDHKNRXNX-UHFFFAOYSA-N 0 3 388.451 0.925 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573470801 946035542 /nfs/dbraw/zinc/03/55/42/946035542.db2.gz JQZQGGVIXDSBFM-NHYWBVRUSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573470801 946035547 /nfs/dbraw/zinc/03/55/47/946035547.db2.gz JQZQGGVIXDSBFM-NHYWBVRUSA-N 0 3 389.435 0.611 20 0 GCADHN CO[C@@H](C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571290295 946037600 /nfs/dbraw/zinc/03/76/00/946037600.db2.gz ZUKGOFOMJGTGLA-UONOGXRCSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571290295 946037613 /nfs/dbraw/zinc/03/76/13/946037613.db2.gz ZUKGOFOMJGTGLA-UONOGXRCSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@@H](C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571290295 946037628 /nfs/dbraw/zinc/03/76/28/946037628.db2.gz ZUKGOFOMJGTGLA-UONOGXRCSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571290295 946037642 /nfs/dbraw/zinc/03/76/42/946037642.db2.gz ZUKGOFOMJGTGLA-UONOGXRCSA-N 0 3 388.476 0.062 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573470912 946039708 /nfs/dbraw/zinc/03/97/08/946039708.db2.gz KYZLVSKNXZPRTP-RISCZKNCSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573470912 946039723 /nfs/dbraw/zinc/03/97/23/946039723.db2.gz KYZLVSKNXZPRTP-RISCZKNCSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@H+](C)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573471081 946044444 /nfs/dbraw/zinc/04/44/44/946044444.db2.gz MAPGXELOJLUZKF-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573471081 946044456 /nfs/dbraw/zinc/04/44/56/946044456.db2.gz MAPGXELOJLUZKF-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@H+](C)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573471081 946044470 /nfs/dbraw/zinc/04/44/70/946044470.db2.gz MAPGXELOJLUZKF-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573471081 946044484 /nfs/dbraw/zinc/04/44/84/946044484.db2.gz MAPGXELOJLUZKF-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573471231 946047300 /nfs/dbraw/zinc/04/73/00/946047300.db2.gz NHSREHHXWAOKKM-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573471231 946047309 /nfs/dbraw/zinc/04/73/09/946047309.db2.gz NHSREHHXWAOKKM-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573472931 946071251 /nfs/dbraw/zinc/07/12/51/946071251.db2.gz XWUQEUBRTWAPCX-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573472931 946071268 /nfs/dbraw/zinc/07/12/68/946071268.db2.gz XWUQEUBRTWAPCX-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472996 946074819 /nfs/dbraw/zinc/07/48/19/946074819.db2.gz YUQYLAHIGFFKHS-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573472996 946074828 /nfs/dbraw/zinc/07/48/28/946074828.db2.gz YUQYLAHIGFFKHS-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573473172 946075601 /nfs/dbraw/zinc/07/56/01/946075601.db2.gz ZZHPLAUPMJDINX-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573473172 946075613 /nfs/dbraw/zinc/07/56/13/946075613.db2.gz ZZHPLAUPMJDINX-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573473178 946077853 /nfs/dbraw/zinc/07/78/53/946077853.db2.gz ZZYAUKFVUTZHLJ-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573473178 946077867 /nfs/dbraw/zinc/07/78/67/946077867.db2.gz ZZYAUKFVUTZHLJ-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573474182 946087700 /nfs/dbraw/zinc/08/77/00/946087700.db2.gz IXWXGKSTZQDLEC-HXPMCKFVSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573474182 946087711 /nfs/dbraw/zinc/08/77/11/946087711.db2.gz IXWXGKSTZQDLEC-HXPMCKFVSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC001573475666 946101862 /nfs/dbraw/zinc/10/18/62/946101862.db2.gz WPPMPFPLAJYAFP-IIYDPXPESA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC001573475666 946101869 /nfs/dbraw/zinc/10/18/69/946101869.db2.gz WPPMPFPLAJYAFP-IIYDPXPESA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573475544 946102644 /nfs/dbraw/zinc/10/26/44/946102644.db2.gz VDCSJJWWDGJHCU-GLKRBJQHSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573476179 946114378 /nfs/dbraw/zinc/11/43/78/946114378.db2.gz DAMPSGFZDUVITA-CKQAKLJMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477098 946130881 /nfs/dbraw/zinc/13/08/81/946130881.db2.gz MRQIEIMZNCECLJ-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477098 946130883 /nfs/dbraw/zinc/13/08/83/946130883.db2.gz MRQIEIMZNCECLJ-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477285 946132839 /nfs/dbraw/zinc/13/28/39/946132839.db2.gz NYKBWHJVMCNHCJ-GHMZBOCLSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573477285 946132847 /nfs/dbraw/zinc/13/28/47/946132847.db2.gz NYKBWHJVMCNHCJ-GHMZBOCLSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479814 946167867 /nfs/dbraw/zinc/16/78/67/946167867.db2.gz HRFJNHOFXSHVOW-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573479814 946167872 /nfs/dbraw/zinc/16/78/72/946167872.db2.gz HRFJNHOFXSHVOW-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479814 946167877 /nfs/dbraw/zinc/16/78/77/946167877.db2.gz HRFJNHOFXSHVOW-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573479814 946167884 /nfs/dbraw/zinc/16/78/84/946167884.db2.gz HRFJNHOFXSHVOW-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCC1 ZINC001573481013 946179869 /nfs/dbraw/zinc/17/98/69/946179869.db2.gz NKLVUQJYVMGEEN-LLVKDONJSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573482537 946198971 /nfs/dbraw/zinc/19/89/71/946198971.db2.gz XNXXKTIBSMVRGA-GWMXKSKGSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573482537 946198981 /nfs/dbraw/zinc/19/89/81/946198981.db2.gz XNXXKTIBSMVRGA-GWMXKSKGSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573482648 946201459 /nfs/dbraw/zinc/20/14/59/946201459.db2.gz ZKKLODIPDANTLR-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573482648 946201472 /nfs/dbraw/zinc/20/14/72/946201472.db2.gz ZKKLODIPDANTLR-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573482910 946206267 /nfs/dbraw/zinc/20/62/67/946206267.db2.gz BURSOHZJSMNIBT-ISTRZQFTSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573482910 946206275 /nfs/dbraw/zinc/20/62/75/946206275.db2.gz BURSOHZJSMNIBT-ISTRZQFTSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573484526 946217114 /nfs/dbraw/zinc/21/71/14/946217114.db2.gz MHGXRWSXYLWDHV-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573484526 946217125 /nfs/dbraw/zinc/21/71/25/946217125.db2.gz MHGXRWSXYLWDHV-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573484526 946217135 /nfs/dbraw/zinc/21/71/35/946217135.db2.gz MHGXRWSXYLWDHV-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573484526 946217144 /nfs/dbraw/zinc/21/71/44/946217144.db2.gz MHGXRWSXYLWDHV-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573484525 946218839 /nfs/dbraw/zinc/21/88/39/946218839.db2.gz MHGXRWSXYLWDHV-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573484525 946218847 /nfs/dbraw/zinc/21/88/47/946218847.db2.gz MHGXRWSXYLWDHV-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573484525 946218856 /nfs/dbraw/zinc/21/88/56/946218856.db2.gz MHGXRWSXYLWDHV-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573484525 946218869 /nfs/dbraw/zinc/21/88/69/946218869.db2.gz MHGXRWSXYLWDHV-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573484994 946220468 /nfs/dbraw/zinc/22/04/68/946220468.db2.gz OYZJNAOQMLBWSD-HONMWMINSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573484994 946220479 /nfs/dbraw/zinc/22/04/79/946220479.db2.gz OYZJNAOQMLBWSD-HONMWMINSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573485720 946231760 /nfs/dbraw/zinc/23/17/60/946231760.db2.gz XNXXKTIBSMVRGA-LERXQTSPSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573485720 946231767 /nfs/dbraw/zinc/23/17/67/946231767.db2.gz XNXXKTIBSMVRGA-LERXQTSPSA-N 0 3 389.435 0.515 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571300089 946272080 /nfs/dbraw/zinc/27/20/80/946272080.db2.gz UNXHHRXMCSNFQM-DGCLKSJQSA-N 0 3 390.879 0.952 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571300089 946272090 /nfs/dbraw/zinc/27/20/90/946272090.db2.gz UNXHHRXMCSNFQM-DGCLKSJQSA-N 0 3 390.879 0.952 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571300089 946272099 /nfs/dbraw/zinc/27/20/99/946272099.db2.gz UNXHHRXMCSNFQM-DGCLKSJQSA-N 0 3 390.879 0.952 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571300089 946272110 /nfs/dbraw/zinc/27/21/10/946272110.db2.gz UNXHHRXMCSNFQM-DGCLKSJQSA-N 0 3 390.879 0.952 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571300091 946272875 /nfs/dbraw/zinc/27/28/75/946272875.db2.gz UNXHHRXMCSNFQM-YPMHNXCESA-N 0 3 390.879 0.952 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571300091 946272882 /nfs/dbraw/zinc/27/28/82/946272882.db2.gz UNXHHRXMCSNFQM-YPMHNXCESA-N 0 3 390.879 0.952 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571300091 946272890 /nfs/dbraw/zinc/27/28/90/946272890.db2.gz UNXHHRXMCSNFQM-YPMHNXCESA-N 0 3 390.879 0.952 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571300091 946272899 /nfs/dbraw/zinc/27/28/99/946272899.db2.gz UNXHHRXMCSNFQM-YPMHNXCESA-N 0 3 390.879 0.952 20 0 GCADHN Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1-c1nnn[n-]1 ZINC001571300221 946275791 /nfs/dbraw/zinc/27/57/91/946275791.db2.gz XHLASSVCEFXSNZ-RAIGVLPGSA-N 0 3 390.517 0.914 20 0 GCADHN Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1-c1nnn[n-]1 ZINC001571300221 946275804 /nfs/dbraw/zinc/27/58/04/946275804.db2.gz XHLASSVCEFXSNZ-RAIGVLPGSA-N 0 3 390.517 0.914 20 0 GCADHN Cn1cc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c(C(F)F)n1 ZINC001571302327 946299478 /nfs/dbraw/zinc/29/94/78/946299478.db2.gz UVBTVYMVASMZJM-LLVKDONJSA-N 0 3 391.386 0.870 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573497090 946340935 /nfs/dbraw/zinc/34/09/35/946340935.db2.gz KOFMXIWAUJJZJN-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573497090 946340944 /nfs/dbraw/zinc/34/09/44/946340944.db2.gz KOFMXIWAUJJZJN-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573498900 946364034 /nfs/dbraw/zinc/36/40/34/946364034.db2.gz AJUOUCCRQIFCPD-NHYWBVRUSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573498900 946364046 /nfs/dbraw/zinc/36/40/46/946364046.db2.gz AJUOUCCRQIFCPD-NHYWBVRUSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573499940 946372019 /nfs/dbraw/zinc/37/20/19/946372019.db2.gz HHGKOUQQOPNXJO-UHFFFAOYSA-N 0 3 377.424 0.422 20 0 GCADHN CC(=O)NCC(=O)N(C)CCC[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573499940 946372028 /nfs/dbraw/zinc/37/20/28/946372028.db2.gz HHGKOUQQOPNXJO-UHFFFAOYSA-N 0 3 377.424 0.422 20 0 GCADHN CC(=O)NCC(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573499940 946372040 /nfs/dbraw/zinc/37/20/40/946372040.db2.gz HHGKOUQQOPNXJO-UHFFFAOYSA-N 0 3 377.424 0.422 20 0 GCADHN CC(=O)NCC(=O)N(C)CCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573499940 946372051 /nfs/dbraw/zinc/37/20/51/946372051.db2.gz HHGKOUQQOPNXJO-UHFFFAOYSA-N 0 3 377.424 0.422 20 0 GCADHN CC(=O)NCC(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573500335 946372460 /nfs/dbraw/zinc/37/24/60/946372460.db2.gz IDHGFURVOBTUFX-UHFFFAOYSA-N 0 3 377.424 0.422 20 0 GCADHN CC(=O)NCC(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573500335 946372471 /nfs/dbraw/zinc/37/24/71/946372471.db2.gz IDHGFURVOBTUFX-UHFFFAOYSA-N 0 3 377.424 0.422 20 0 GCADHN CC(=O)NCC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573502023 946383774 /nfs/dbraw/zinc/38/37/74/946383774.db2.gz UIRGVQMVMQNCIH-UHFFFAOYSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573502023 946383784 /nfs/dbraw/zinc/38/37/84/946383784.db2.gz UIRGVQMVMQNCIH-UHFFFAOYSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573502735 946390043 /nfs/dbraw/zinc/39/00/43/946390043.db2.gz XWKVSNSIIPZVJK-UHFFFAOYSA-N 0 3 391.451 0.716 20 0 GCADHN CC(=O)NCC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573502735 946390053 /nfs/dbraw/zinc/39/00/53/946390053.db2.gz XWKVSNSIIPZVJK-UHFFFAOYSA-N 0 3 391.451 0.716 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H]1C ZINC001573502762 946391145 /nfs/dbraw/zinc/39/11/45/946391145.db2.gz YQAXWCMSVPMVGA-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1C ZINC001573502762 946391154 /nfs/dbraw/zinc/39/11/54/946391154.db2.gz YQAXWCMSVPMVGA-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573503920 946401124 /nfs/dbraw/zinc/40/11/24/946401124.db2.gz CVRLRZQMCIRJCD-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573503920 946401131 /nfs/dbraw/zinc/40/11/31/946401131.db2.gz CVRLRZQMCIRJCD-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573504022 946404711 /nfs/dbraw/zinc/40/47/11/946404711.db2.gz DKENLJYZJZPFNR-CQSZACIVSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573504022 946404718 /nfs/dbraw/zinc/40/47/18/946404718.db2.gz DKENLJYZJZPFNR-CQSZACIVSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573504120 946407002 /nfs/dbraw/zinc/40/70/02/946407002.db2.gz GBTLJWQBEITABS-AWEZNQCLSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573504120 946407009 /nfs/dbraw/zinc/40/70/09/946407009.db2.gz GBTLJWQBEITABS-AWEZNQCLSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573504265 946408548 /nfs/dbraw/zinc/40/85/48/946408548.db2.gz GHRVXJZPQIYGPV-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573504265 946408552 /nfs/dbraw/zinc/40/85/52/946408552.db2.gz GHRVXJZPQIYGPV-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573504813 946414848 /nfs/dbraw/zinc/41/48/48/946414848.db2.gz KPULYGGKFGZTAE-GUYCJALGSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573504813 946414856 /nfs/dbraw/zinc/41/48/56/946414856.db2.gz KPULYGGKFGZTAE-GUYCJALGSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573505335 946418800 /nfs/dbraw/zinc/41/88/00/946418800.db2.gz MNSAGROODCNCAZ-CYBMUJFWSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573505335 946418804 /nfs/dbraw/zinc/41/88/04/946418804.db2.gz MNSAGROODCNCAZ-CYBMUJFWSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573505335 946418806 /nfs/dbraw/zinc/41/88/06/946418806.db2.gz MNSAGROODCNCAZ-CYBMUJFWSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573505335 946418808 /nfs/dbraw/zinc/41/88/08/946418808.db2.gz MNSAGROODCNCAZ-CYBMUJFWSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)NCC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573505340 946418818 /nfs/dbraw/zinc/41/88/18/946418818.db2.gz MNXHYDFXLLIISH-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573505340 946418824 /nfs/dbraw/zinc/41/88/24/946418824.db2.gz MNXHYDFXLLIISH-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C[C@H]1C ZINC001573505259 946419489 /nfs/dbraw/zinc/41/94/89/946419489.db2.gz LPZBXYIUYKDMKH-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1C ZINC001573505259 946419493 /nfs/dbraw/zinc/41/94/93/946419493.db2.gz LPZBXYIUYKDMKH-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1C ZINC001573505273 946419560 /nfs/dbraw/zinc/41/95/60/946419560.db2.gz LUKSDMGDNSAJSQ-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1C ZINC001573505273 946419566 /nfs/dbraw/zinc/41/95/66/946419566.db2.gz LUKSDMGDNSAJSQ-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506043 946427794 /nfs/dbraw/zinc/42/77/94/946427794.db2.gz OISHBKWSIICQHX-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506043 946427797 /nfs/dbraw/zinc/42/77/97/946427797.db2.gz OISHBKWSIICQHX-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573506681 946435425 /nfs/dbraw/zinc/43/54/25/946435425.db2.gz RIRRCZCFOJBGQT-AWEZNQCLSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573506681 946435433 /nfs/dbraw/zinc/43/54/33/946435433.db2.gz RIRRCZCFOJBGQT-AWEZNQCLSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573506704 946437532 /nfs/dbraw/zinc/43/75/32/946437532.db2.gz RXANXOQGSRLBJI-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573506704 946437541 /nfs/dbraw/zinc/43/75/41/946437541.db2.gz RXANXOQGSRLBJI-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573506704 946437549 /nfs/dbraw/zinc/43/75/49/946437549.db2.gz RXANXOQGSRLBJI-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573506704 946437559 /nfs/dbraw/zinc/43/75/59/946437559.db2.gz RXANXOQGSRLBJI-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506985 946441224 /nfs/dbraw/zinc/44/12/24/946441224.db2.gz UHZFVSFXCLZABN-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506985 946441231 /nfs/dbraw/zinc/44/12/31/946441231.db2.gz UHZFVSFXCLZABN-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506985 946441237 /nfs/dbraw/zinc/44/12/37/946441237.db2.gz UHZFVSFXCLZABN-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506985 946441244 /nfs/dbraw/zinc/44/12/44/946441244.db2.gz UHZFVSFXCLZABN-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573507189 946442851 /nfs/dbraw/zinc/44/28/51/946442851.db2.gz XEGNGFAZJBSEKO-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573507189 946442857 /nfs/dbraw/zinc/44/28/57/946442857.db2.gz XEGNGFAZJBSEKO-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573507189 946442867 /nfs/dbraw/zinc/44/28/67/946442867.db2.gz XEGNGFAZJBSEKO-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573507189 946442871 /nfs/dbraw/zinc/44/28/71/946442871.db2.gz XEGNGFAZJBSEKO-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573507229 946445139 /nfs/dbraw/zinc/44/51/39/946445139.db2.gz XPACXWASYBETJU-GFCCVEGCSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573507229 946445146 /nfs/dbraw/zinc/44/51/46/946445146.db2.gz XPACXWASYBETJU-GFCCVEGCSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573507256 946445570 /nfs/dbraw/zinc/44/55/70/946445570.db2.gz WCEWARVTRAHWQO-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573507256 946445576 /nfs/dbraw/zinc/44/55/76/946445576.db2.gz WCEWARVTRAHWQO-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573507256 946445585 /nfs/dbraw/zinc/44/55/85/946445585.db2.gz WCEWARVTRAHWQO-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573507256 946445597 /nfs/dbraw/zinc/44/55/97/946445597.db2.gz WCEWARVTRAHWQO-LJQANCHMSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573507593 946447411 /nfs/dbraw/zinc/44/74/11/946447411.db2.gz ZQNOTQPKKZINSE-LBPRGKRZSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573507593 946447419 /nfs/dbraw/zinc/44/74/19/946447419.db2.gz ZQNOTQPKKZINSE-LBPRGKRZSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573507532 946447672 /nfs/dbraw/zinc/44/76/72/946447672.db2.gz YVCZLFCHCDTGFR-XHDPSFHLSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573507532 946447677 /nfs/dbraw/zinc/44/76/77/946447677.db2.gz YVCZLFCHCDTGFR-XHDPSFHLSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573507729 946451043 /nfs/dbraw/zinc/45/10/43/946451043.db2.gz XIPFBXWWKXRIIS-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573507729 946451047 /nfs/dbraw/zinc/45/10/47/946451047.db2.gz XIPFBXWWKXRIIS-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573508363 946454701 /nfs/dbraw/zinc/45/47/01/946454701.db2.gz ZULWAJYHXYIXRD-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573508363 946454708 /nfs/dbraw/zinc/45/47/08/946454708.db2.gz ZULWAJYHXYIXRD-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573508363 946454714 /nfs/dbraw/zinc/45/47/14/946454714.db2.gz ZULWAJYHXYIXRD-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573508363 946454722 /nfs/dbraw/zinc/45/47/22/946454722.db2.gz ZULWAJYHXYIXRD-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573508956 946458282 /nfs/dbraw/zinc/45/82/82/946458282.db2.gz CKQJKSQEOCTZPY-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573508956 946458288 /nfs/dbraw/zinc/45/82/88/946458288.db2.gz CKQJKSQEOCTZPY-QGZVFWFLSA-N 0 3 385.472 0.864 20 0 GCADHN CC(C)(O)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571310851 946478841 /nfs/dbraw/zinc/47/88/41/946478841.db2.gz NZRAFDNQEQTBLB-ZDUSSCGKSA-N 0 3 392.435 0.484 20 0 GCADHN CC(C)(O)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571310851 946478847 /nfs/dbraw/zinc/47/88/47/946478847.db2.gz NZRAFDNQEQTBLB-ZDUSSCGKSA-N 0 3 392.435 0.484 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573511013 946481505 /nfs/dbraw/zinc/48/15/05/946481505.db2.gz LRLBOXUATJHYEG-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573511013 946481509 /nfs/dbraw/zinc/48/15/09/946481509.db2.gz LRLBOXUATJHYEG-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573511330 946482831 /nfs/dbraw/zinc/48/28/31/946482831.db2.gz OGMSCLBXHIFGJR-OAHLLOKOSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573511330 946482836 /nfs/dbraw/zinc/48/28/36/946482836.db2.gz OGMSCLBXHIFGJR-OAHLLOKOSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC001573511433 946485126 /nfs/dbraw/zinc/48/51/26/946485126.db2.gz PZRWSTDBVALNFT-QGZVFWFLSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC001573511433 946485130 /nfs/dbraw/zinc/48/51/30/946485130.db2.gz PZRWSTDBVALNFT-QGZVFWFLSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573511500 946487711 /nfs/dbraw/zinc/48/77/11/946487711.db2.gz AWGNEQJCNXIPAR-IUODEOHRSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573511500 946487717 /nfs/dbraw/zinc/48/77/17/946487717.db2.gz AWGNEQJCNXIPAR-IUODEOHRSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573512099 946493231 /nfs/dbraw/zinc/49/32/31/946493231.db2.gz DZEAUSAFROFIER-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573512099 946493240 /nfs/dbraw/zinc/49/32/40/946493240.db2.gz DZEAUSAFROFIER-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573512099 946493246 /nfs/dbraw/zinc/49/32/46/946493246.db2.gz DZEAUSAFROFIER-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573512099 946493255 /nfs/dbraw/zinc/49/32/55/946493255.db2.gz DZEAUSAFROFIER-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)CC(C)C ZINC001573512495 946499769 /nfs/dbraw/zinc/49/97/69/946499769.db2.gz XIJBDJKTQJGVFJ-OAHLLOKOSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCC1 ZINC001573512524 946501581 /nfs/dbraw/zinc/50/15/81/946501581.db2.gz GOKHXOHKLGEVBJ-UHFFFAOYSA-N 0 3 389.435 0.661 20 0 GCADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC001573512524 946501592 /nfs/dbraw/zinc/50/15/92/946501592.db2.gz GOKHXOHKLGEVBJ-UHFFFAOYSA-N 0 3 389.435 0.661 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C12CCC2 ZINC001573512891 946505759 /nfs/dbraw/zinc/50/57/59/946505759.db2.gz JEDLXOXRCHGGSE-HZPDHXFCSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C12CCC2 ZINC001573512891 946505768 /nfs/dbraw/zinc/50/57/68/946505768.db2.gz JEDLXOXRCHGGSE-HZPDHXFCSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573513434 946513728 /nfs/dbraw/zinc/51/37/28/946513728.db2.gz NHLXBEBBEWHJGI-OCCSQVGLSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573513434 946513737 /nfs/dbraw/zinc/51/37/37/946513737.db2.gz NHLXBEBBEWHJGI-OCCSQVGLSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573513429 946513938 /nfs/dbraw/zinc/51/39/38/946513938.db2.gz NHLXBEBBEWHJGI-GXTWGEPZSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573513429 946513946 /nfs/dbraw/zinc/51/39/46/946513946.db2.gz NHLXBEBBEWHJGI-GXTWGEPZSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573513929 946517411 /nfs/dbraw/zinc/51/74/11/946517411.db2.gz RGDFQUWFLMBYNK-CQSZACIVSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573513929 946517422 /nfs/dbraw/zinc/51/74/22/946517422.db2.gz RGDFQUWFLMBYNK-CQSZACIVSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573514181 946520830 /nfs/dbraw/zinc/52/08/30/946520830.db2.gz UNABCYOVHABEBJ-ZIAGYGMSSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573514181 946520839 /nfs/dbraw/zinc/52/08/39/946520839.db2.gz UNABCYOVHABEBJ-ZIAGYGMSSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C12CCC2 ZINC001573514281 946524683 /nfs/dbraw/zinc/52/46/83/946524683.db2.gz WMSLIHTUPYTBCB-JKSUJKDBSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C12CCC2 ZINC001573514281 946524687 /nfs/dbraw/zinc/52/46/87/946524687.db2.gz WMSLIHTUPYTBCB-JKSUJKDBSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573514382 946527131 /nfs/dbraw/zinc/52/71/31/946527131.db2.gz YBJLACJDBJRBTH-UHFFFAOYSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001573514382 946527142 /nfs/dbraw/zinc/52/71/42/946527142.db2.gz YBJLACJDBJRBTH-UHFFFAOYSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573514989 946537217 /nfs/dbraw/zinc/53/72/17/946537217.db2.gz GGECJFLRSAPQAR-OAHLLOKOSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H](C)C1 ZINC001573515974 946553928 /nfs/dbraw/zinc/55/39/28/946553928.db2.gz UHROGWIUJHZDCP-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H](C)C1 ZINC001573515974 946553939 /nfs/dbraw/zinc/55/39/39/946553939.db2.gz UHROGWIUJHZDCP-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@H](C)C1 ZINC001573515967 946554116 /nfs/dbraw/zinc/55/41/16/946554116.db2.gz UHROGWIUJHZDCP-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@H](C)C1 ZINC001573515967 946554128 /nfs/dbraw/zinc/55/41/28/946554128.db2.gz UHROGWIUJHZDCP-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001573518009 946584678 /nfs/dbraw/zinc/58/46/78/946584678.db2.gz VHGATOXVHAFXCV-INIZCTEOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001573518009 946584684 /nfs/dbraw/zinc/58/46/84/946584684.db2.gz VHGATOXVHAFXCV-INIZCTEOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001573518009 946584689 /nfs/dbraw/zinc/58/46/89/946584689.db2.gz VHGATOXVHAFXCV-INIZCTEOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001573518009 946584693 /nfs/dbraw/zinc/58/46/93/946584693.db2.gz VHGATOXVHAFXCV-INIZCTEOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NCCC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573520844 946601293 /nfs/dbraw/zinc/60/12/93/946601293.db2.gz NPINQOVWIVVRKF-UHFFFAOYSA-N 0 3 389.435 0.518 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573521238 946605583 /nfs/dbraw/zinc/60/55/83/946605583.db2.gz UTLFQGIWTXNJDI-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1C[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573521238 946605586 /nfs/dbraw/zinc/60/55/86/946605586.db2.gz UTLFQGIWTXNJDI-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573521238 946605591 /nfs/dbraw/zinc/60/55/91/946605591.db2.gz UTLFQGIWTXNJDI-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1C[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573521238 946605594 /nfs/dbraw/zinc/60/55/94/946605594.db2.gz UTLFQGIWTXNJDI-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573521873 946615539 /nfs/dbraw/zinc/61/55/39/946615539.db2.gz MGMPUQNRIVHGHT-JCNLHEQBSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573521873 946615556 /nfs/dbraw/zinc/61/55/56/946615556.db2.gz MGMPUQNRIVHGHT-JCNLHEQBSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573528080 946653987 /nfs/dbraw/zinc/65/39/87/946653987.db2.gz SURXXKQTMIGLKB-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573528080 946653995 /nfs/dbraw/zinc/65/39/95/946653995.db2.gz SURXXKQTMIGLKB-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573528071 946654873 /nfs/dbraw/zinc/65/48/73/946654873.db2.gz SNJLFGJALIJMMM-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573536374 946734581 /nfs/dbraw/zinc/73/45/81/946734581.db2.gz UUCCHRVYYMIKKB-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573536374 946734586 /nfs/dbraw/zinc/73/45/86/946734586.db2.gz UUCCHRVYYMIKKB-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824591121 946842593 /nfs/dbraw/zinc/84/25/93/946842593.db2.gz HDEWVGZHDHVUOM-CYBMUJFWSA-N 0 3 379.490 0.095 20 0 GCADHN C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824591121 946842600 /nfs/dbraw/zinc/84/26/00/946842600.db2.gz HDEWVGZHDHVUOM-CYBMUJFWSA-N 0 3 379.490 0.095 20 0 GCADHN C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000824737142 946918452 /nfs/dbraw/zinc/91/84/52/946918452.db2.gz CGNXGDJWIDBVFT-ZBFHGGJFSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000824737142 946918457 /nfs/dbraw/zinc/91/84/57/946918457.db2.gz CGNXGDJWIDBVFT-ZBFHGGJFSA-N 0 3 388.472 0.987 20 0 GCADHN C[N@H+](CCO)C1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000825942091 947380712 /nfs/dbraw/zinc/38/07/12/947380712.db2.gz VTFJQCYNUHZGKK-SFHVURJKSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000825942091 947380728 /nfs/dbraw/zinc/38/07/28/947380728.db2.gz VTFJQCYNUHZGKK-SFHVURJKSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@H+](CCO)C1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000825942091 947380742 /nfs/dbraw/zinc/38/07/42/947380742.db2.gz VTFJQCYNUHZGKK-SFHVURJKSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000825942091 947380756 /nfs/dbraw/zinc/38/07/56/947380756.db2.gz VTFJQCYNUHZGKK-SFHVURJKSA-N 0 3 399.499 0.751 20 0 GCADHN C[C@@H](C(=O)N(C)C)[NH+]1CCC(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573595243 947417562 /nfs/dbraw/zinc/41/75/62/947417562.db2.gz WWAKPIDCWPFEQX-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccc1 ZINC001573595917 947424694 /nfs/dbraw/zinc/42/46/94/947424694.db2.gz HOLDLVPKGXPRTL-WMLDXEAASA-N 0 3 383.456 0.838 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccc1 ZINC001573595917 947424702 /nfs/dbraw/zinc/42/47/02/947424702.db2.gz HOLDLVPKGXPRTL-WMLDXEAASA-N 0 3 383.456 0.838 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC001573597291 947434490 /nfs/dbraw/zinc/43/44/90/947434490.db2.gz MRZPHQMQAAJTEG-YOEHRIQHSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC001573597291 947434494 /nfs/dbraw/zinc/43/44/94/947434494.db2.gz MRZPHQMQAAJTEG-YOEHRIQHSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573599394 947455449 /nfs/dbraw/zinc/45/54/49/947455449.db2.gz XRSRLKNJAIEGEK-FZMZJTMJSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@@H](C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCCC1 ZINC001573604367 947507668 /nfs/dbraw/zinc/50/76/68/947507668.db2.gz SOJCSLNAASQSTG-AWEZNQCLSA-N 0 3 387.492 0.816 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCCC1 ZINC001573625235 947698897 /nfs/dbraw/zinc/69/88/97/947698897.db2.gz OOYJGUIDEHYFNB-UONOGXRCSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1)n1cncn1 ZINC001573647718 947901790 /nfs/dbraw/zinc/90/17/90/947901790.db2.gz SHVRTFQRMQMDHF-JKIFEVAISA-N 0 3 395.471 0.904 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1)n1cncn1 ZINC001573647718 947901795 /nfs/dbraw/zinc/90/17/95/947901795.db2.gz SHVRTFQRMQMDHF-JKIFEVAISA-N 0 3 395.471 0.904 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001573387537 947910108 /nfs/dbraw/zinc/91/01/08/947910108.db2.gz BUUVZUMXFALYGR-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1C ZINC001573388092 947915038 /nfs/dbraw/zinc/91/50/38/947915038.db2.gz HUOPYFAWQWCLAI-SMDDNHRTSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573388590 947918994 /nfs/dbraw/zinc/91/89/94/947918994.db2.gz MBBCPSVCIRXFIX-UHFFFAOYSA-N 0 3 377.424 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573389531 947926536 /nfs/dbraw/zinc/92/65/36/947926536.db2.gz SCXQWIWLABTZQK-MEDUHNTESA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573391953 947938541 /nfs/dbraw/zinc/93/85/41/947938541.db2.gz MQUDQQNCHDPDNM-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573391953 947938546 /nfs/dbraw/zinc/93/85/46/947938546.db2.gz MQUDQQNCHDPDNM-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573392000 947939929 /nfs/dbraw/zinc/93/99/29/947939929.db2.gz ORVARDJNRQJDOT-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573392000 947939933 /nfs/dbraw/zinc/93/99/33/947939933.db2.gz ORVARDJNRQJDOT-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392342 947945849 /nfs/dbraw/zinc/94/58/49/947945849.db2.gz AARJHHDHOMQTPR-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392342 947945854 /nfs/dbraw/zinc/94/58/54/947945854.db2.gz AARJHHDHOMQTPR-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573392383 947947332 /nfs/dbraw/zinc/94/73/32/947947332.db2.gz AGCREQFBKKNERI-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573392383 947947339 /nfs/dbraw/zinc/94/73/39/947947339.db2.gz AGCREQFBKKNERI-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573394421 947964424 /nfs/dbraw/zinc/96/44/24/947964424.db2.gz TWGLVQNPXLCCSL-INIZCTEOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573394421 947964427 /nfs/dbraw/zinc/96/44/27/947964427.db2.gz TWGLVQNPXLCCSL-INIZCTEOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573394421 947964431 /nfs/dbraw/zinc/96/44/31/947964431.db2.gz TWGLVQNPXLCCSL-INIZCTEOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573394421 947964435 /nfs/dbraw/zinc/96/44/35/947964435.db2.gz TWGLVQNPXLCCSL-INIZCTEOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573397861 947976198 /nfs/dbraw/zinc/97/61/98/947976198.db2.gz FFAARGNAWBCHOW-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573397861 947976203 /nfs/dbraw/zinc/97/62/03/947976203.db2.gz FFAARGNAWBCHOW-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573398314 947980545 /nfs/dbraw/zinc/98/05/45/947980545.db2.gz JEOUHUKPFQWXML-VXGBXAGGSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573398314 947980549 /nfs/dbraw/zinc/98/05/49/947980549.db2.gz JEOUHUKPFQWXML-VXGBXAGGSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573398525 947982785 /nfs/dbraw/zinc/98/27/85/947982785.db2.gz MDXCSIQUVHIVQD-NWDGAFQWSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573398525 947982789 /nfs/dbraw/zinc/98/27/89/947982789.db2.gz MDXCSIQUVHIVQD-NWDGAFQWSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573399084 947988234 /nfs/dbraw/zinc/98/82/34/947988234.db2.gz SPVLEWRQURHUEE-RYUDHWBXSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573399084 947988237 /nfs/dbraw/zinc/98/82/37/947988237.db2.gz SPVLEWRQURHUEE-RYUDHWBXSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)NC1(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001573399047 947988566 /nfs/dbraw/zinc/98/85/66/947988566.db2.gz SJKKQDTZLLSDGE-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)N(C)CC(=O)NC1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001573399047 947988570 /nfs/dbraw/zinc/98/85/70/947988570.db2.gz SJKKQDTZLLSDGE-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573401860 948000033 /nfs/dbraw/zinc/00/00/33/948000033.db2.gz DTOFGUVGCHCZHD-DLBZAZTESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573401860 948000036 /nfs/dbraw/zinc/00/00/36/948000036.db2.gz DTOFGUVGCHCZHD-DLBZAZTESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573403121 948009816 /nfs/dbraw/zinc/00/98/16/948009816.db2.gz LLVYBRIVDNNMPR-SJORKVTESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573403121 948009827 /nfs/dbraw/zinc/00/98/27/948009827.db2.gz LLVYBRIVDNNMPR-SJORKVTESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573403118 948009960 /nfs/dbraw/zinc/00/99/60/948009960.db2.gz LLVYBRIVDNNMPR-IAGOWNOFSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573403118 948009968 /nfs/dbraw/zinc/00/99/68/948009968.db2.gz LLVYBRIVDNNMPR-IAGOWNOFSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573403792 948013691 /nfs/dbraw/zinc/01/36/91/948013691.db2.gz ONQGIWXHXXHXEW-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573404649 948031373 /nfs/dbraw/zinc/03/13/73/948031373.db2.gz IGELARQVBKRYKL-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573664348 948053655 /nfs/dbraw/zinc/05/36/55/948053655.db2.gz UAOWXCPTGKXLSP-YGONEPDPSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573664348 948053662 /nfs/dbraw/zinc/05/36/62/948053662.db2.gz UAOWXCPTGKXLSP-YGONEPDPSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573664365 948053743 /nfs/dbraw/zinc/05/37/43/948053743.db2.gz UQDTXLGCXMSSDT-NUYPLMSZSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573664365 948053748 /nfs/dbraw/zinc/05/37/48/948053748.db2.gz UQDTXLGCXMSSDT-NUYPLMSZSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)[C@@H](C)C2)C1 ZINC001573413252 948080103 /nfs/dbraw/zinc/08/01/03/948080103.db2.gz AJBCHLFAOHLVRL-SJCJKPOMSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)[C@@H](C)C2)C1 ZINC001573413252 948080113 /nfs/dbraw/zinc/08/01/13/948080113.db2.gz AJBCHLFAOHLVRL-SJCJKPOMSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)[C@@H]2C)C1 ZINC001573413336 948080507 /nfs/dbraw/zinc/08/05/07/948080507.db2.gz BUSJQQVYTWZDGI-YVEFUNNKSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)[C@@H]2C)C1 ZINC001573413336 948080517 /nfs/dbraw/zinc/08/05/17/948080517.db2.gz BUSJQQVYTWZDGI-YVEFUNNKSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573413642 948084458 /nfs/dbraw/zinc/08/44/58/948084458.db2.gz CJYPGBWBIRELOQ-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573413642 948084469 /nfs/dbraw/zinc/08/44/69/948084469.db2.gz CJYPGBWBIRELOQ-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573413809 948086770 /nfs/dbraw/zinc/08/67/70/948086770.db2.gz GUTNBMBMVLBQHH-QGZVFWFLSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573413809 948086771 /nfs/dbraw/zinc/08/67/71/948086771.db2.gz GUTNBMBMVLBQHH-QGZVFWFLSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573414516 948095530 /nfs/dbraw/zinc/09/55/30/948095530.db2.gz NOHLBTFZRHRURN-AWEZNQCLSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573414516 948095538 /nfs/dbraw/zinc/09/55/38/948095538.db2.gz NOHLBTFZRHRURN-AWEZNQCLSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573414706 948097562 /nfs/dbraw/zinc/09/75/62/948097562.db2.gz ODXFOGIWKDGDSV-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573419087 948121008 /nfs/dbraw/zinc/12/10/08/948121008.db2.gz JQFHFXDSWFJZCY-GHMZBOCLSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573419087 948121012 /nfs/dbraw/zinc/12/10/12/948121012.db2.gz JQFHFXDSWFJZCY-GHMZBOCLSA-N 0 3 389.435 0.467 20 0 GCADHN C[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573677419 948135684 /nfs/dbraw/zinc/13/56/84/948135684.db2.gz AHFUKEPAUQCJAR-WBMJQRKESA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573677419 948135690 /nfs/dbraw/zinc/13/56/90/948135690.db2.gz AHFUKEPAUQCJAR-WBMJQRKESA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2CC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573421459 948137677 /nfs/dbraw/zinc/13/76/77/948137677.db2.gz GAMGEUQBAKVDNK-UHFFFAOYSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573421459 948137684 /nfs/dbraw/zinc/13/76/84/948137684.db2.gz GAMGEUQBAKVDNK-UHFFFAOYSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573422379 948142476 /nfs/dbraw/zinc/14/24/76/948142476.db2.gz KRSXTQQCOVIMSD-KDYLLFBJSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573422379 948142483 /nfs/dbraw/zinc/14/24/83/948142483.db2.gz KRSXTQQCOVIMSD-KDYLLFBJSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)[NH+]1CCCCCC1 ZINC001573678270 948146957 /nfs/dbraw/zinc/14/69/57/948146957.db2.gz CGSCYBSZLYAFAJ-UKRRQHHQSA-N 0 3 388.476 0.415 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001573426586 948158531 /nfs/dbraw/zinc/15/85/31/948158531.db2.gz MQRILKQCZIEATD-GASCZTMLSA-N 0 3 387.419 0.221 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001573426586 948158536 /nfs/dbraw/zinc/15/85/36/948158536.db2.gz MQRILKQCZIEATD-GASCZTMLSA-N 0 3 387.419 0.221 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573679194 948160926 /nfs/dbraw/zinc/16/09/26/948160926.db2.gz JUCPYEWCYMDOLO-ZIAGYGMSSA-N 0 3 387.492 0.862 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573679698 948166164 /nfs/dbraw/zinc/16/61/64/948166164.db2.gz JOBMPGGTRKTGPN-PWSUYJOCSA-N 0 3 390.473 0.032 20 0 GCADHN CC(=O)N1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573430051 948174799 /nfs/dbraw/zinc/17/47/99/948174799.db2.gz MBUIQMPGLVLMBH-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573430051 948174802 /nfs/dbraw/zinc/17/48/02/948174802.db2.gz MBUIQMPGLVLMBH-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573680210 948174965 /nfs/dbraw/zinc/17/49/65/948174965.db2.gz MSFQBRBMRWHLEL-IAQYHMDHSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573680210 948174972 /nfs/dbraw/zinc/17/49/72/948174972.db2.gz MSFQBRBMRWHLEL-IAQYHMDHSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573681027 948193726 /nfs/dbraw/zinc/19/37/26/948193726.db2.gz RRZBAZAAJWADQN-WPRPVWTQSA-N 0 3 390.341 0.771 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573433207 948197668 /nfs/dbraw/zinc/19/76/68/948197668.db2.gz JTOYVOGGWSHEAQ-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573433207 948197671 /nfs/dbraw/zinc/19/76/71/948197671.db2.gz JTOYVOGGWSHEAQ-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)[NH+]1CCCCCC1 ZINC001573681785 948213061 /nfs/dbraw/zinc/21/30/61/948213061.db2.gz XWIQTTSRNDTFFL-HIFRSBDPSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC001573690233 948224105 /nfs/dbraw/zinc/22/41/05/948224105.db2.gz BSOXBWUIMONAGW-CJNGLKHVSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC001573690233 948224116 /nfs/dbraw/zinc/22/41/16/948224116.db2.gz BSOXBWUIMONAGW-CJNGLKHVSA-N 0 3 381.440 0.632 20 0 GCADHN C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[NH+]1CCCCCC1 ZINC001573691456 948243680 /nfs/dbraw/zinc/24/36/80/948243680.db2.gz HJHQOXMSOMVEED-CYBMUJFWSA-N 0 3 385.476 0.982 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573691869 948247153 /nfs/dbraw/zinc/24/71/53/948247153.db2.gz KOGHNGPTCLKTML-DGCLKSJQSA-N 0 3 388.407 0.030 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573691869 948247162 /nfs/dbraw/zinc/24/71/62/948247162.db2.gz KOGHNGPTCLKTML-DGCLKSJQSA-N 0 3 388.407 0.030 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573441777 948277801 /nfs/dbraw/zinc/27/78/01/948277801.db2.gz BDBWRZYRQQVSIC-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573441777 948277808 /nfs/dbraw/zinc/27/78/08/948277808.db2.gz BDBWRZYRQQVSIC-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)n1cccc1 ZINC001573694463 948296194 /nfs/dbraw/zinc/29/61/94/948296194.db2.gz VUWZYCLRBNMBJR-DOMZBBRYSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)n1cccc1 ZINC001573694463 948296203 /nfs/dbraw/zinc/29/62/03/948296203.db2.gz VUWZYCLRBNMBJR-DOMZBBRYSA-N 0 3 387.419 0.635 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573443047 948303977 /nfs/dbraw/zinc/30/39/77/948303977.db2.gz LRWWHSWGZHKSHF-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573443047 948303979 /nfs/dbraw/zinc/30/39/79/948303979.db2.gz LRWWHSWGZHKSHF-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573445050 948319295 /nfs/dbraw/zinc/31/92/95/948319295.db2.gz XEWUGNFNVDGWMD-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573445079 948320077 /nfs/dbraw/zinc/32/00/77/948320077.db2.gz XZDJJXNNCUCZKQ-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573445079 948320085 /nfs/dbraw/zinc/32/00/85/948320085.db2.gz XZDJJXNNCUCZKQ-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573445239 948323013 /nfs/dbraw/zinc/32/30/13/948323013.db2.gz YXMHSEXMNZSLIX-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573445239 948323022 /nfs/dbraw/zinc/32/30/22/948323022.db2.gz YXMHSEXMNZSLIX-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573446656 948333996 /nfs/dbraw/zinc/33/39/96/948333996.db2.gz LLWCDGMJCGFTPD-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573446661 948334058 /nfs/dbraw/zinc/33/40/58/948334058.db2.gz LOGFKFNGYBHQRF-BDJLRTHQSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573446661 948334063 /nfs/dbraw/zinc/33/40/63/948334063.db2.gz LOGFKFNGYBHQRF-BDJLRTHQSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573447042 948340524 /nfs/dbraw/zinc/34/05/24/948340524.db2.gz SNAJLJSSWNHSHQ-FSPWUOQZSA-N 0 3 397.483 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573447042 948340532 /nfs/dbraw/zinc/34/05/32/948340532.db2.gz SNAJLJSSWNHSHQ-FSPWUOQZSA-N 0 3 397.483 0.814 20 0 GCADHN O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000826496655 948409226 /nfs/dbraw/zinc/40/92/26/948409226.db2.gz CWHASZDICQKTHJ-XJKSGUPXSA-N 0 3 381.433 0.832 20 0 GCADHN O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000826496652 948409735 /nfs/dbraw/zinc/40/97/35/948409735.db2.gz CWHASZDICQKTHJ-BBRMVZONSA-N 0 3 381.433 0.832 20 0 GCADHN O=S1(=O)CCC[C@H]([NH2+]C2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826497119 948411506 /nfs/dbraw/zinc/41/15/06/948411506.db2.gz VDMMJXBNVLZIOF-KRWDZBQOSA-N 0 3 390.513 0.998 20 0 GCADHN C[C@H](C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001573717508 948509920 /nfs/dbraw/zinc/50/99/20/948509920.db2.gz DLJWZGOVKNTQCY-AWEZNQCLSA-N 0 3 384.488 0.936 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573746510 948682921 /nfs/dbraw/zinc/68/29/21/948682921.db2.gz KMSBAHNHNBCDLX-LEWSCRJBSA-N 0 3 385.407 0.595 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573746510 948682923 /nfs/dbraw/zinc/68/29/23/948682923.db2.gz KMSBAHNHNBCDLX-LEWSCRJBSA-N 0 3 385.407 0.595 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573746508 948683012 /nfs/dbraw/zinc/68/30/12/948683012.db2.gz KMSBAHNHNBCDLX-HONMWMINSA-N 0 3 385.407 0.595 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573746508 948683017 /nfs/dbraw/zinc/68/30/17/948683017.db2.gz KMSBAHNHNBCDLX-HONMWMINSA-N 0 3 385.407 0.595 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573752352 948712064 /nfs/dbraw/zinc/71/20/64/948712064.db2.gz NCHUOFPLWDXEJG-ATVPRXPUSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573752352 948712071 /nfs/dbraw/zinc/71/20/71/948712071.db2.gz NCHUOFPLWDXEJG-ATVPRXPUSA-N 0 3 383.456 0.518 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001575223417 948769027 /nfs/dbraw/zinc/76/90/27/948769027.db2.gz OTJAZVTXTGUQHM-GFCCVEGCSA-N 0 3 380.399 0.869 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001575223417 948769038 /nfs/dbraw/zinc/76/90/38/948769038.db2.gz OTJAZVTXTGUQHM-GFCCVEGCSA-N 0 3 380.399 0.869 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574916896 948793946 /nfs/dbraw/zinc/79/39/46/948793946.db2.gz LZGYGAZIBCDDTR-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574916896 948793960 /nfs/dbraw/zinc/79/39/60/948793960.db2.gz LZGYGAZIBCDDTR-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574916896 948793972 /nfs/dbraw/zinc/79/39/72/948793972.db2.gz LZGYGAZIBCDDTR-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574916896 948793984 /nfs/dbraw/zinc/79/39/84/948793984.db2.gz LZGYGAZIBCDDTR-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574916837 948795482 /nfs/dbraw/zinc/79/54/82/948795482.db2.gz KUVUKLXKEJAHCF-LLVKDONJSA-N 0 3 387.423 0.361 20 0 GCADHN C[C@@H](CNC(=O)CCc1nccn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574920099 948886195 /nfs/dbraw/zinc/88/61/95/948886195.db2.gz CDNGPBPSJRUILS-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574920649 948906150 /nfs/dbraw/zinc/90/61/50/948906150.db2.gz NPRVXUXMVNWUDT-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574920649 948906160 /nfs/dbraw/zinc/90/61/60/948906160.db2.gz NPRVXUXMVNWUDT-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574920838 948909912 /nfs/dbraw/zinc/90/99/12/948909912.db2.gz PKMSFOOPRGRHSD-NSHDSACASA-N 0 3 387.423 0.361 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574920838 948909922 /nfs/dbraw/zinc/90/99/22/948909922.db2.gz PKMSFOOPRGRHSD-NSHDSACASA-N 0 3 387.423 0.361 20 0 GCADHN C[C@H](CNC(=O)CCc1nccn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574920886 948910272 /nfs/dbraw/zinc/91/02/72/948910272.db2.gz QDAZBCLJMJPBME-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)(C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[NH+]1CCCC1 ZINC001573765534 948914150 /nfs/dbraw/zinc/91/41/50/948914150.db2.gz MFJIRUUCDHKSFD-UHFFFAOYSA-N 0 3 385.476 0.570 20 0 GCADHN CC(C)(C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[NH+]1CCCC1 ZINC001573765662 948920671 /nfs/dbraw/zinc/92/06/71/948920671.db2.gz WDJJCUQTSMZHEI-UHFFFAOYSA-N 0 3 386.460 0.354 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574923285 948941121 /nfs/dbraw/zinc/94/11/21/948941121.db2.gz IZSGRAYXDMEJSM-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(C)(C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)[NH+]1CCCC1 ZINC001573771687 948945660 /nfs/dbraw/zinc/94/56/60/948945660.db2.gz KXZJARHONZBGIQ-AWEZNQCLSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H](CNC(=O)CCn1ccccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574924123 948966614 /nfs/dbraw/zinc/96/66/14/948966614.db2.gz WNZHEJYPKSHEAI-CQSZACIVSA-N 0 3 381.440 0.713 20 0 GCADHN CC(C)(C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)c1c[nH]cn1 ZINC001573773463 948985478 /nfs/dbraw/zinc/98/54/78/948985478.db2.gz CAUAWPPDTWLMFP-UHFFFAOYSA-N 0 3 381.444 0.835 20 0 GCADHN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574926191 948989451 /nfs/dbraw/zinc/98/94/51/948989451.db2.gz KIJKGFSYTGEBJY-LBPRGKRZSA-N 0 3 375.481 0.799 20 0 GCADHN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574926191 948989460 /nfs/dbraw/zinc/98/94/60/948989460.db2.gz KIJKGFSYTGEBJY-LBPRGKRZSA-N 0 3 375.481 0.799 20 0 GCADHN CC(C)(C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[NH+]1CCCC1 ZINC001573773641 948989463 /nfs/dbraw/zinc/98/94/63/948989463.db2.gz OHQAEKJMRYEILQ-UHFFFAOYSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574926263 948993940 /nfs/dbraw/zinc/99/39/40/948993940.db2.gz MENMOLRDULBAAY-NSHDSACASA-N 0 3 375.408 0.223 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575243244 948995270 /nfs/dbraw/zinc/99/52/70/948995270.db2.gz OWCUPOSVZYNURR-JSGCOSHPSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575243244 948995280 /nfs/dbraw/zinc/99/52/80/948995280.db2.gz OWCUPOSVZYNURR-JSGCOSHPSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575243244 948995291 /nfs/dbraw/zinc/99/52/91/948995291.db2.gz OWCUPOSVZYNURR-JSGCOSHPSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575243244 948995301 /nfs/dbraw/zinc/99/53/01/948995301.db2.gz OWCUPOSVZYNURR-JSGCOSHPSA-N 0 3 379.440 0.842 20 0 GCADHN CC(C)(C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573774093 948999647 /nfs/dbraw/zinc/99/96/47/948999647.db2.gz KBKQWQWELADBPO-ZDUSSCGKSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)N1CCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574926611 949012805 /nfs/dbraw/zinc/01/28/05/949012805.db2.gz AXJAMVMPYJRXRG-CYBMUJFWSA-N 0 3 386.460 0.266 20 0 GCADHN C[C@H](F)CC[NH2+]C1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575247677 949051726 /nfs/dbraw/zinc/05/17/26/949051726.db2.gz KTQGUQXUZIPTCE-LBPRGKRZSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@H](F)CC[NH2+]C1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575247677 949051705 /nfs/dbraw/zinc/05/17/05/949051705.db2.gz KTQGUQXUZIPTCE-LBPRGKRZSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574928327 949057945 /nfs/dbraw/zinc/05/79/45/949057945.db2.gz OWNIVYVJSTTYGF-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN C[C@H](F)CC[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575248095 949058450 /nfs/dbraw/zinc/05/84/50/949058450.db2.gz NFXYSSBJEWFKLG-LBPRGKRZSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@H](F)CC[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575248095 949058471 /nfs/dbraw/zinc/05/84/71/949058471.db2.gz NFXYSSBJEWFKLG-LBPRGKRZSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574693737 949061883 /nfs/dbraw/zinc/06/18/83/949061883.db2.gz IIFPKWYSEXKXCW-GFCCVEGCSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)COC[C@H]1CCCO1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574929219 949081246 /nfs/dbraw/zinc/08/12/46/949081246.db2.gz AVUVKCYFRYUILG-SWLSCSKDSA-N 0 3 392.435 0.796 20 0 GCADHN C[C@@H](CNC(=O)COC[C@H]1CCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574929219 949081265 /nfs/dbraw/zinc/08/12/65/949081265.db2.gz AVUVKCYFRYUILG-SWLSCSKDSA-N 0 3 392.435 0.796 20 0 GCADHN C[C@@H](CNC(=O)COC[C@@H]1CCCO1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574929220 949088380 /nfs/dbraw/zinc/08/83/80/949088380.db2.gz AVUVKCYFRYUILG-WFASDCNBSA-N 0 3 392.435 0.796 20 0 GCADHN C[C@@H](CNC(=O)COC[C@@H]1CCCO1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574929220 949088400 /nfs/dbraw/zinc/08/84/00/949088400.db2.gz AVUVKCYFRYUILG-WFASDCNBSA-N 0 3 392.435 0.796 20 0 GCADHN C[C@H](F)CC[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575249183 949089178 /nfs/dbraw/zinc/08/91/78/949089178.db2.gz XELSDBPJHGVXEB-LBPRGKRZSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@H](F)CC[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575249183 949089199 /nfs/dbraw/zinc/08/91/99/949089199.db2.gz XELSDBPJHGVXEB-LBPRGKRZSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574929310 949090687 /nfs/dbraw/zinc/09/06/87/949090687.db2.gz CPSFBGCJNHOOGG-ZDUSSCGKSA-N 0 3 388.476 0.537 20 0 GCADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574929310 949090706 /nfs/dbraw/zinc/09/07/06/949090706.db2.gz CPSFBGCJNHOOGG-ZDUSSCGKSA-N 0 3 388.476 0.537 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574929803 949101211 /nfs/dbraw/zinc/10/12/11/949101211.db2.gz HUFYLAYHPOXUDY-DGCLKSJQSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574929850 949103036 /nfs/dbraw/zinc/10/30/36/949103036.db2.gz IIYVMFCNAGAUBD-SMDDNHRTSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574929850 949103044 /nfs/dbraw/zinc/10/30/44/949103044.db2.gz IIYVMFCNAGAUBD-SMDDNHRTSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574930032 949105177 /nfs/dbraw/zinc/10/51/77/949105177.db2.gz IYKTZYULIJIFSJ-ZDUSSCGKSA-N 0 3 388.476 0.313 20 0 GCADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574930032 949105188 /nfs/dbraw/zinc/10/51/88/949105188.db2.gz IYKTZYULIJIFSJ-ZDUSSCGKSA-N 0 3 388.476 0.313 20 0 GCADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574931070 949113977 /nfs/dbraw/zinc/11/39/77/949113977.db2.gz NDPAIYGMHHKJLP-CYBMUJFWSA-N 0 3 388.476 0.313 20 0 GCADHN C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574931070 949113972 /nfs/dbraw/zinc/11/39/72/949113972.db2.gz NDPAIYGMHHKJLP-CYBMUJFWSA-N 0 3 388.476 0.313 20 0 GCADHN CC(C)(C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCC1 ZINC001573782061 949117244 /nfs/dbraw/zinc/11/72/44/949117244.db2.gz PLTYCMHAKPWVGX-UHFFFAOYSA-N 0 3 386.460 0.257 20 0 GCADHN CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573782683 949126627 /nfs/dbraw/zinc/12/66/27/949126627.db2.gz HERXQVCUUYKLRK-JOCQHMNTSA-N 0 3 385.476 0.838 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCC1 ZINC001573786855 949151519 /nfs/dbraw/zinc/15/15/19/949151519.db2.gz GCFXXHCAUDRRHP-BETUJISGSA-N 0 3 385.476 0.980 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[NH+]1CCCC1 ZINC001573786943 949155411 /nfs/dbraw/zinc/15/54/11/949155411.db2.gz IILLULOYXQSPSO-TXEJJXNPSA-N 0 3 386.460 0.446 20 0 GCADHN CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCC1 ZINC001573787087 949164099 /nfs/dbraw/zinc/16/40/99/949164099.db2.gz NKJGFQFMHSROID-ZDUSSCGKSA-N 0 3 385.476 0.616 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573787321 949175306 /nfs/dbraw/zinc/17/53/06/949175306.db2.gz SUYQTKJBRYUFEG-JOCQHMNTSA-N 0 3 392.485 0.427 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573787321 949175323 /nfs/dbraw/zinc/17/53/23/949175323.db2.gz SUYQTKJBRYUFEG-JOCQHMNTSA-N 0 3 392.485 0.427 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573787300 949176026 /nfs/dbraw/zinc/17/60/26/949176026.db2.gz SJHGGXLUDCLTKF-OKILXGFUSA-N 0 3 392.485 0.427 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573787300 949176035 /nfs/dbraw/zinc/17/60/35/949176035.db2.gz SJHGGXLUDCLTKF-OKILXGFUSA-N 0 3 392.485 0.427 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573787889 949187588 /nfs/dbraw/zinc/18/75/88/949187588.db2.gz CXNYXFXNVBMOST-HUUCEWRRSA-N 0 3 385.472 0.753 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573787889 949187598 /nfs/dbraw/zinc/18/75/98/949187598.db2.gz CXNYXFXNVBMOST-HUUCEWRRSA-N 0 3 385.472 0.753 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573787890 949187906 /nfs/dbraw/zinc/18/79/06/949187906.db2.gz CXNYXFXNVBMOST-LSDHHAIUSA-N 0 3 385.472 0.753 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573787890 949187915 /nfs/dbraw/zinc/18/79/15/949187915.db2.gz CXNYXFXNVBMOST-LSDHHAIUSA-N 0 3 385.472 0.753 20 0 GCADHN C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575253650 949195394 /nfs/dbraw/zinc/19/53/94/949195394.db2.gz LBKZFBGVBPAARE-NSHDSACASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575253650 949195381 /nfs/dbraw/zinc/19/53/81/949195381.db2.gz LBKZFBGVBPAARE-NSHDSACASA-N 0 3 386.460 0.113 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573799448 949370571 /nfs/dbraw/zinc/37/05/71/949370571.db2.gz MVFCCLJXHPLDJM-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573799448 949370595 /nfs/dbraw/zinc/37/05/95/949370595.db2.gz MVFCCLJXHPLDJM-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)C1=COCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574704474 949388829 /nfs/dbraw/zinc/38/88/29/949388829.db2.gz NEHNBVZDUKGJIR-NSHDSACASA-N 0 3 376.392 0.831 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263784 949407006 /nfs/dbraw/zinc/40/70/06/949407006.db2.gz JMBPOAWBHXQXSR-TZMCWYRMSA-N 0 3 387.463 0.894 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263784 949407016 /nfs/dbraw/zinc/40/70/16/949407016.db2.gz JMBPOAWBHXQXSR-TZMCWYRMSA-N 0 3 387.463 0.894 20 0 GCADHN CC1(C(=O)N2CC[C@@H](N3CCN(c4ccncc4-c4nn[nH]n4)CC3)C2)CC1 ZINC001575532877 949407630 /nfs/dbraw/zinc/40/76/30/949407630.db2.gz BZOMDMPKEFAZSG-CQSZACIVSA-N 0 3 382.472 0.785 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574705283 949421123 /nfs/dbraw/zinc/42/11/23/949421123.db2.gz HBIIDGBMPMWZKY-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574705283 949421135 /nfs/dbraw/zinc/42/11/35/949421135.db2.gz HBIIDGBMPMWZKY-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575537479 949493497 /nfs/dbraw/zinc/49/34/97/949493497.db2.gz WBOZKXQLQLXAST-AUUYWEPGSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575537479 949493508 /nfs/dbraw/zinc/49/35/08/949493508.db2.gz WBOZKXQLQLXAST-AUUYWEPGSA-N 0 3 383.456 0.474 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573807954 949505513 /nfs/dbraw/zinc/50/55/13/949505513.db2.gz AWJMMOAWKLPHPT-CQSZACIVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574710711 949512194 /nfs/dbraw/zinc/51/21/94/949512194.db2.gz AJOXGQKXEPWVJV-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575871569 949516512 /nfs/dbraw/zinc/51/65/12/949516512.db2.gz AKIVNGMLPXRLPG-NWDGAFQWSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575871569 949516531 /nfs/dbraw/zinc/51/65/31/949516531.db2.gz AKIVNGMLPXRLPG-NWDGAFQWSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575268313 949517173 /nfs/dbraw/zinc/51/71/73/949517173.db2.gz NDPCNGWYZVCSKB-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575268313 949517181 /nfs/dbraw/zinc/51/71/81/949517181.db2.gz NDPCNGWYZVCSKB-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575268313 949517201 /nfs/dbraw/zinc/51/72/01/949517201.db2.gz NDPCNGWYZVCSKB-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575268313 949517211 /nfs/dbraw/zinc/51/72/11/949517211.db2.gz NDPCNGWYZVCSKB-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574710771 949517392 /nfs/dbraw/zinc/51/73/92/949517392.db2.gz BBWSYAPREYICEW-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574710771 949517399 /nfs/dbraw/zinc/51/73/99/949517399.db2.gz BBWSYAPREYICEW-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575268314 949517436 /nfs/dbraw/zinc/51/74/36/949517436.db2.gz NDPCNGWYZVCSKB-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575268314 949517462 /nfs/dbraw/zinc/51/74/62/949517462.db2.gz NDPCNGWYZVCSKB-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575268314 949517485 /nfs/dbraw/zinc/51/74/85/949517485.db2.gz NDPCNGWYZVCSKB-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575268314 949517514 /nfs/dbraw/zinc/51/75/14/949517514.db2.gz NDPCNGWYZVCSKB-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809041 949525937 /nfs/dbraw/zinc/52/59/37/949525937.db2.gz LPSYDWPEGNWGGD-AWEZNQCLSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872592 949550827 /nfs/dbraw/zinc/55/08/27/949550827.db2.gz KBVKIYUOLSWOPW-SMDDNHRTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872592 949550846 /nfs/dbraw/zinc/55/08/46/949550846.db2.gz KBVKIYUOLSWOPW-SMDDNHRTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711699 949551029 /nfs/dbraw/zinc/55/10/29/949551029.db2.gz KQRLMSZYRQLPDR-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711868 949559996 /nfs/dbraw/zinc/55/99/96/949559996.db2.gz NJIGDPPLIFXFRP-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574711868 949560005 /nfs/dbraw/zinc/56/00/05/949560005.db2.gz NJIGDPPLIFXFRP-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574712163 949570534 /nfs/dbraw/zinc/57/05/34/949570534.db2.gz PSOGAFJPYDUYAF-ZIAGYGMSSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574712163 949570549 /nfs/dbraw/zinc/57/05/49/949570549.db2.gz PSOGAFJPYDUYAF-ZIAGYGMSSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574955828 949571388 /nfs/dbraw/zinc/57/13/88/949571388.db2.gz FNIZTCZLMSMJLR-YGRLFVJLSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574955828 949571407 /nfs/dbraw/zinc/57/14/07/949571407.db2.gz FNIZTCZLMSMJLR-YGRLFVJLSA-N 0 3 390.423 0.143 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810641 949572060 /nfs/dbraw/zinc/57/20/60/949572060.db2.gz BFNPWXBPAFBBJP-AWEZNQCLSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574712235 949572758 /nfs/dbraw/zinc/57/27/58/949572758.db2.gz QWMZHFDXRJRPGZ-RNCFNFMXSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574712234 949573698 /nfs/dbraw/zinc/57/36/98/949573698.db2.gz QWMZHFDXRJRPGZ-NOZJJQNGSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574712439 949578008 /nfs/dbraw/zinc/57/80/08/949578008.db2.gz SKORCFMOPYWKJI-RNCFNFMXSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574712439 949578018 /nfs/dbraw/zinc/57/80/18/949578018.db2.gz SKORCFMOPYWKJI-RNCFNFMXSA-N 0 3 377.380 0.051 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)Cn1cncn1 ZINC001573810948 949588159 /nfs/dbraw/zinc/58/81/59/949588159.db2.gz FWUBIKLLULYBGX-HNNXBMFYSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)Cn1cncn1 ZINC001573810948 949588184 /nfs/dbraw/zinc/58/81/84/949588184.db2.gz FWUBIKLLULYBGX-HNNXBMFYSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575270332 949587951 /nfs/dbraw/zinc/58/79/51/949587951.db2.gz CEYMPGUKALQOGO-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575270332 949587971 /nfs/dbraw/zinc/58/79/71/949587971.db2.gz CEYMPGUKALQOGO-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575271122 949615357 /nfs/dbraw/zinc/61/53/57/949615357.db2.gz IMYRPLWLRGVJBP-GFCCVEGCSA-N 0 3 375.452 0.894 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574713866 949615318 /nfs/dbraw/zinc/61/53/18/949615318.db2.gz YQIJMTZLWPFLRU-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574713866 949615329 /nfs/dbraw/zinc/61/53/29/949615329.db2.gz YQIJMTZLWPFLRU-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874810 949624493 /nfs/dbraw/zinc/62/44/93/949624493.db2.gz HCNDURHPPDYXMD-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874810 949624500 /nfs/dbraw/zinc/62/45/00/949624500.db2.gz HCNDURHPPDYXMD-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575271581 949625462 /nfs/dbraw/zinc/62/54/62/949625462.db2.gz LBRLJVQRRLJBRC-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575271581 949625474 /nfs/dbraw/zinc/62/54/74/949625474.db2.gz LBRLJVQRRLJBRC-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813203 949626417 /nfs/dbraw/zinc/62/64/17/949626417.db2.gz WWJDMJYKVIGXKU-ILXRZTDVSA-N 0 3 385.472 0.609 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813203 949626426 /nfs/dbraw/zinc/62/64/26/949626426.db2.gz WWJDMJYKVIGXKU-ILXRZTDVSA-N 0 3 385.472 0.609 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575271773 949627189 /nfs/dbraw/zinc/62/71/89/949627189.db2.gz LYVCAACYSYNHBK-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575271773 949627201 /nfs/dbraw/zinc/62/72/01/949627201.db2.gz LYVCAACYSYNHBK-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813337 949631392 /nfs/dbraw/zinc/63/13/92/949631392.db2.gz YPZQCEMXCSGREF-ILXRZTDVSA-N 0 3 385.472 0.609 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813337 949631402 /nfs/dbraw/zinc/63/14/02/949631402.db2.gz YPZQCEMXCSGREF-ILXRZTDVSA-N 0 3 385.472 0.609 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574714551 949633520 /nfs/dbraw/zinc/63/35/20/949633520.db2.gz FHHZMMPXAXQVQP-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC1(C(=O)N2CCN([C@@H]3CCN(c4ccncc4-c4nn[nH]n4)C3)CC2)CC1 ZINC001575547630 949634854 /nfs/dbraw/zinc/63/48/54/949634854.db2.gz FFWANMFMWVZQLZ-CQSZACIVSA-N 0 3 382.472 0.785 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575875842 949637021 /nfs/dbraw/zinc/63/70/21/949637021.db2.gz WIIZXSKYHKBLKI-CHWSQXEVSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574715823 949670920 /nfs/dbraw/zinc/67/09/20/949670920.db2.gz KTDMPANTEHSBFX-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CC(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)NC(N)=O ZINC001574477860 949680058 /nfs/dbraw/zinc/68/00/58/949680058.db2.gz VQTOSRRVFCZEDX-CYBMUJFWSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@H](CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)NC(N)=O ZINC001574477860 949680075 /nfs/dbraw/zinc/68/00/75/949680075.db2.gz VQTOSRRVFCZEDX-CYBMUJFWSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@@H](CC(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)NC(N)=O ZINC001574477861 949680732 /nfs/dbraw/zinc/68/07/32/949680732.db2.gz VQTOSRRVFCZEDX-ZDUSSCGKSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@@H](CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)NC(N)=O ZINC001574477861 949680740 /nfs/dbraw/zinc/68/07/40/949680740.db2.gz VQTOSRRVFCZEDX-ZDUSSCGKSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574716122 949684041 /nfs/dbraw/zinc/68/40/41/949684041.db2.gz MPVBRQOMOXYASH-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001575554253 949692940 /nfs/dbraw/zinc/69/29/40/949692940.db2.gz PZRDTUNSDRGGSR-HNAYVOBHSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001575554253 949692953 /nfs/dbraw/zinc/69/29/53/949692953.db2.gz PZRDTUNSDRGGSR-HNAYVOBHSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880538 949702963 /nfs/dbraw/zinc/70/29/63/949702963.db2.gz UFXINGLQIIXOIQ-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880538 949702978 /nfs/dbraw/zinc/70/29/78/949702978.db2.gz UFXINGLQIIXOIQ-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575880907 949707851 /nfs/dbraw/zinc/70/78/51/949707851.db2.gz VSISYDGIOXGWGR-JSGCOSHPSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575880907 949707873 /nfs/dbraw/zinc/70/78/73/949707873.db2.gz VSISYDGIOXGWGR-JSGCOSHPSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574716793 949708039 /nfs/dbraw/zinc/70/80/39/949708039.db2.gz LYMMEQBBXJQQPL-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574716793 949708063 /nfs/dbraw/zinc/70/80/63/949708063.db2.gz LYMMEQBBXJQQPL-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574959805 949717304 /nfs/dbraw/zinc/71/73/04/949717304.db2.gz UICNDUUMWGYLJQ-AFAVFJNCSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574959805 949717329 /nfs/dbraw/zinc/71/73/29/949717329.db2.gz UICNDUUMWGYLJQ-AFAVFJNCSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576170506 949718405 /nfs/dbraw/zinc/71/84/05/949718405.db2.gz LOWREBNJJFRBED-DOMZBBRYSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576170506 949718423 /nfs/dbraw/zinc/71/84/23/949718423.db2.gz LOWREBNJJFRBED-DOMZBBRYSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574478788 949718517 /nfs/dbraw/zinc/71/85/17/949718517.db2.gz AQXHPDFZMWTFPA-JSGCOSHPSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574478788 949718537 /nfs/dbraw/zinc/71/85/37/949718537.db2.gz AQXHPDFZMWTFPA-JSGCOSHPSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576170508 949719645 /nfs/dbraw/zinc/71/96/45/949719645.db2.gz LOWREBNJJFRBED-SWLSCSKDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576170508 949719658 /nfs/dbraw/zinc/71/96/58/949719658.db2.gz LOWREBNJJFRBED-SWLSCSKDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881504 949725855 /nfs/dbraw/zinc/72/58/55/949725855.db2.gz YQYCFQSGUMBTDR-SMDDNHRTSA-N 0 3 376.440 0.826 20 0 GCADHN C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881504 949725871 /nfs/dbraw/zinc/72/58/71/949725871.db2.gz YQYCFQSGUMBTDR-SMDDNHRTSA-N 0 3 376.440 0.826 20 0 GCADHN C[C@@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001576170665 949727171 /nfs/dbraw/zinc/72/71/71/949727171.db2.gz MSMFCCAZPJJWIU-OLZOCXBDSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574962944 949744043 /nfs/dbraw/zinc/74/40/43/949744043.db2.gz FZNPAFFMDOTFEO-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574962944 949744063 /nfs/dbraw/zinc/74/40/63/949744063.db2.gz FZNPAFFMDOTFEO-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574962944 949744080 /nfs/dbraw/zinc/74/40/80/949744080.db2.gz FZNPAFFMDOTFEO-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574962944 949744099 /nfs/dbraw/zinc/74/40/99/949744099.db2.gz FZNPAFFMDOTFEO-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574717770 949747471 /nfs/dbraw/zinc/74/74/71/949747471.db2.gz PQKIXOXKYMAKHZ-YPMHNXCESA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574717770 949747483 /nfs/dbraw/zinc/74/74/83/949747483.db2.gz PQKIXOXKYMAKHZ-YPMHNXCESA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574963312 949751218 /nfs/dbraw/zinc/75/12/18/949751218.db2.gz IEOLRYMNYQGILT-UHTWSYAYSA-N 0 3 389.435 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574963312 949751232 /nfs/dbraw/zinc/75/12/32/949751232.db2.gz IEOLRYMNYQGILT-UHTWSYAYSA-N 0 3 389.435 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574718011 949757679 /nfs/dbraw/zinc/75/76/79/949757679.db2.gz REFXYMAQUPGIIH-NWDGAFQWSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574718044 949758189 /nfs/dbraw/zinc/75/81/89/949758189.db2.gz YLAWEERDUJZQTI-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574718044 949758211 /nfs/dbraw/zinc/75/82/11/949758211.db2.gz YLAWEERDUJZQTI-MNOVXSKESA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574718169 949769164 /nfs/dbraw/zinc/76/91/64/949769164.db2.gz YZYPHVSMFHPWAZ-XJKSGUPXSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574718169 949769180 /nfs/dbraw/zinc/76/91/80/949769180.db2.gz YZYPHVSMFHPWAZ-XJKSGUPXSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574718380 949777477 /nfs/dbraw/zinc/77/74/77/949777477.db2.gz VZVPUEIVGVYEKL-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575882733 949787298 /nfs/dbraw/zinc/78/72/98/949787298.db2.gz NORRYEZPTOBRPC-DGCLKSJQSA-N 0 3 384.444 0.010 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]CC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281033 949797907 /nfs/dbraw/zinc/79/79/07/949797907.db2.gz BVIFHOBZIQHSRV-CDWSIMAYSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)NC(N)=O ZINC001574481884 949808526 /nfs/dbraw/zinc/80/85/26/949808526.db2.gz XAHJBJASZNXKKU-PWSUYJOCSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001575282224 949827083 /nfs/dbraw/zinc/82/70/83/949827083.db2.gz JGIXJFFIYKNDMA-NSHDSACASA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001575282224 949827099 /nfs/dbraw/zinc/82/70/99/949827099.db2.gz JGIXJFFIYKNDMA-NSHDSACASA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575282203 949829482 /nfs/dbraw/zinc/82/94/82/949829482.db2.gz IYAIUZDMEQAEBQ-VXGBXAGGSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574483993 949853304 /nfs/dbraw/zinc/85/33/04/949853304.db2.gz BMNYGOPONZOUPZ-SWLSCSKDSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574483993 949853324 /nfs/dbraw/zinc/85/33/24/949853324.db2.gz BMNYGOPONZOUPZ-SWLSCSKDSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574723687 949854820 /nfs/dbraw/zinc/85/48/20/949854820.db2.gz BOIUVRGCMJKYRP-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574723687 949854843 /nfs/dbraw/zinc/85/48/43/949854843.db2.gz BOIUVRGCMJKYRP-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574966912 949859579 /nfs/dbraw/zinc/85/95/79/949859579.db2.gz CNWFOONVUPIRJL-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574966912 949859605 /nfs/dbraw/zinc/85/96/05/949859605.db2.gz CNWFOONVUPIRJL-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574966912 949859643 /nfs/dbraw/zinc/85/96/43/949859643.db2.gz CNWFOONVUPIRJL-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574966912 949859662 /nfs/dbraw/zinc/85/96/62/949859662.db2.gz CNWFOONVUPIRJL-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574723959 949861630 /nfs/dbraw/zinc/86/16/30/949861630.db2.gz CODQVFZSNNBPSU-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574723959 949861649 /nfs/dbraw/zinc/86/16/49/949861649.db2.gz CODQVFZSNNBPSU-ZDUSSCGKSA-N 0 3 383.460 0.565 20 0 GCADHN CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574967261 949866626 /nfs/dbraw/zinc/86/66/26/949866626.db2.gz FXZYTYWZOMGFIS-NEPJUHHUSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574484640 949891447 /nfs/dbraw/zinc/89/14/47/949891447.db2.gz LCMFPINNLRZGDK-ZIAGYGMSSA-N 0 3 381.444 0.934 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968421 949898812 /nfs/dbraw/zinc/89/88/12/949898812.db2.gz PFXZYPJFRUSAMG-WFASDCNBSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968421 949898832 /nfs/dbraw/zinc/89/88/32/949898832.db2.gz PFXZYPJFRUSAMG-WFASDCNBSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576179540 949916143 /nfs/dbraw/zinc/91/61/43/949916143.db2.gz ASHSRODZEKNOKS-CYBMUJFWSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574726313 949932901 /nfs/dbraw/zinc/93/29/01/949932901.db2.gz IDHKQXDWXROPGP-OCCSQVGLSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](NC(=O)C[NH2+][C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)C1CC1 ZINC001575285144 949935518 /nfs/dbraw/zinc/93/55/18/949935518.db2.gz ZDSNRRCCTJHCIM-BMIGLBTASA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574487715 949939334 /nfs/dbraw/zinc/93/93/34/949939334.db2.gz BJLDCQKUBVCLNJ-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574487715 949939345 /nfs/dbraw/zinc/93/93/45/949939345.db2.gz BJLDCQKUBVCLNJ-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575285546 949947555 /nfs/dbraw/zinc/94/75/55/949947555.db2.gz OJBFHDFBYRRXQW-ZIAGYGMSSA-N 0 3 387.492 0.718 20 0 GCADHN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575285546 949947574 /nfs/dbraw/zinc/94/75/74/949947574.db2.gz OJBFHDFBYRRXQW-ZIAGYGMSSA-N 0 3 387.492 0.718 20 0 GCADHN C[C@@H](CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)NC(N)=O ZINC001574488856 949951742 /nfs/dbraw/zinc/95/17/42/949951742.db2.gz GSFBJBUWRMLPCY-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)NC(N)=O ZINC001574488856 949951757 /nfs/dbraw/zinc/95/17/57/949951757.db2.gz GSFBJBUWRMLPCY-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574727282 949958452 /nfs/dbraw/zinc/95/84/52/949958452.db2.gz RHGAJSPWNJPXLN-DOMZBBRYSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574727284 949962049 /nfs/dbraw/zinc/96/20/49/949962049.db2.gz RHGAJSPWNJPXLN-SWLSCSKDSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576180995 949981048 /nfs/dbraw/zinc/98/10/48/949981048.db2.gz GJMUHRFIULQYCD-JSGCOSHPSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576180995 949981067 /nfs/dbraw/zinc/98/10/67/949981067.db2.gz GJMUHRFIULQYCD-JSGCOSHPSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576180975 949982805 /nfs/dbraw/zinc/98/28/05/949982805.db2.gz GEDKJHHCIUMPBZ-STQMWFEESA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576180975 949982820 /nfs/dbraw/zinc/98/28/20/949982820.db2.gz GEDKJHHCIUMPBZ-STQMWFEESA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574728523 949988225 /nfs/dbraw/zinc/98/82/25/949988225.db2.gz BSGRTIPSWBSXNF-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](NC(=O)Cc1c[nH]cn1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575289815 950004329 /nfs/dbraw/zinc/00/43/29/950004329.db2.gz BZRAIBHKFCEYRY-STQMWFEESA-N 0 3 381.444 0.949 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1ccn(C)n1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574728840 950011803 /nfs/dbraw/zinc/01/18/03/950011803.db2.gz KTHSMFBFCAGRDF-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1ccn(C)n1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574728840 950011816 /nfs/dbraw/zinc/01/18/16/950011816.db2.gz KTHSMFBFCAGRDF-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001574975001 950011810 /nfs/dbraw/zinc/01/18/10/950011810.db2.gz UOSVMXRROYAZBW-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576181625 950015374 /nfs/dbraw/zinc/01/53/74/950015374.db2.gz VJJQMJMLTWOMJH-CYBMUJFWSA-N 0 3 388.476 0.600 20 0 GCADHN C[C@@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576181625 950015401 /nfs/dbraw/zinc/01/54/01/950015401.db2.gz VJJQMJMLTWOMJH-CYBMUJFWSA-N 0 3 388.476 0.600 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150334 950023947 /nfs/dbraw/zinc/02/39/47/950023947.db2.gz BJURXKQELVHNSB-CABCVRRESA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150334 950023973 /nfs/dbraw/zinc/02/39/73/950023973.db2.gz BJURXKQELVHNSB-CABCVRRESA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@H](C[NH2+]CCN1CCCC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574150680 950035713 /nfs/dbraw/zinc/03/57/13/950035713.db2.gz DGLNKXHEURHYFR-CQSZACIVSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)C[C@H](C[NH2+]CCN1CCCC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574150680 950035733 /nfs/dbraw/zinc/03/57/33/950035733.db2.gz DGLNKXHEURHYFR-CQSZACIVSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1ncn(C)n1 ZINC001574150834 950043077 /nfs/dbraw/zinc/04/30/77/950043077.db2.gz FCZPYXSTTZWRNL-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1ncn(C)n1 ZINC001574150834 950043097 /nfs/dbraw/zinc/04/30/97/950043097.db2.gz FCZPYXSTTZWRNL-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575576551 950071171 /nfs/dbraw/zinc/07/11/71/950071171.db2.gz QWOGUDGWKAQRIM-UGSOOPFHSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575576551 950071192 /nfs/dbraw/zinc/07/11/92/950071192.db2.gz QWOGUDGWKAQRIM-UGSOOPFHSA-N 0 3 392.435 0.389 20 0 GCADHN CC(C)C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151478 950082114 /nfs/dbraw/zinc/08/21/14/950082114.db2.gz SOBMYBNZULMRBN-WCQYABFASA-N 0 3 376.465 0.406 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574151579 950085093 /nfs/dbraw/zinc/08/50/93/950085093.db2.gz VOTXJEPEKQIUQF-LSDHHAIUSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574151579 950085115 /nfs/dbraw/zinc/08/51/15/950085115.db2.gz VOTXJEPEKQIUQF-LSDHHAIUSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574152359 950100033 /nfs/dbraw/zinc/10/00/33/950100033.db2.gz AOSTUSDUSMVQLJ-HZPDHXFCSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574152359 950100047 /nfs/dbraw/zinc/10/00/47/950100047.db2.gz AOSTUSDUSMVQLJ-HZPDHXFCSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574152891 950123005 /nfs/dbraw/zinc/12/30/05/950123005.db2.gz LMPIKTZNUJNOLD-OAGGEKHMSA-N 0 3 385.472 0.609 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574152891 950123023 /nfs/dbraw/zinc/12/30/23/950123023.db2.gz LMPIKTZNUJNOLD-OAGGEKHMSA-N 0 3 385.472 0.609 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574493392 950127898 /nfs/dbraw/zinc/12/78/98/950127898.db2.gz GHFPKXRMHAKOLB-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574493392 950127912 /nfs/dbraw/zinc/12/79/12/950127912.db2.gz GHFPKXRMHAKOLB-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)Cn1cncn1 ZINC001574153335 950139122 /nfs/dbraw/zinc/13/91/22/950139122.db2.gz RYLPGGWJRNPAPL-MRXNPFEDSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)Cn1cncn1 ZINC001574153335 950139130 /nfs/dbraw/zinc/13/91/30/950139130.db2.gz RYLPGGWJRNPAPL-MRXNPFEDSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574734936 950150612 /nfs/dbraw/zinc/15/06/12/950150612.db2.gz VMZGRZNOQPSNIR-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576190390 950163519 /nfs/dbraw/zinc/16/35/19/950163519.db2.gz ARGUYYXPTWKKGM-JSGCOSHPSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576190390 950163526 /nfs/dbraw/zinc/16/35/26/950163526.db2.gz ARGUYYXPTWKKGM-JSGCOSHPSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574738350 950171441 /nfs/dbraw/zinc/17/14/41/950171441.db2.gz FGGROVQXYUTROK-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC001574738929 950177230 /nfs/dbraw/zinc/17/72/30/950177230.db2.gz JDXNQBSRLMAANJ-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC001574738929 950177242 /nfs/dbraw/zinc/17/72/42/950177242.db2.gz JDXNQBSRLMAANJ-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574739161 950185916 /nfs/dbraw/zinc/18/59/16/950185916.db2.gz MEGJSBPDIAIELJ-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574739161 950185923 /nfs/dbraw/zinc/18/59/23/950185923.db2.gz MEGJSBPDIAIELJ-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574739174 950186049 /nfs/dbraw/zinc/18/60/49/950186049.db2.gz MHPSVGNDSHVXIU-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574739174 950186057 /nfs/dbraw/zinc/18/60/57/950186057.db2.gz MHPSVGNDSHVXIU-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576191428 950197492 /nfs/dbraw/zinc/19/74/92/950197492.db2.gz HUVKGUQSBWJGNL-YPMHNXCESA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576191428 950197501 /nfs/dbraw/zinc/19/75/01/950197501.db2.gz HUVKGUQSBWJGNL-YPMHNXCESA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNCc1cn(C)nn1 ZINC001576191457 950198351 /nfs/dbraw/zinc/19/83/51/950198351.db2.gz HZMUSMFACWCOSE-DGCLKSJQSA-N 0 3 384.448 0.211 20 0 GCADHN CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574983117 950201366 /nfs/dbraw/zinc/20/13/66/950201366.db2.gz KFLTVZSOFZINJU-RYUDHWBXSA-N 0 3 376.465 0.406 20 0 GCADHN CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983117 950201390 /nfs/dbraw/zinc/20/13/90/950201390.db2.gz KFLTVZSOFZINJU-RYUDHWBXSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191862 950214111 /nfs/dbraw/zinc/21/41/11/950214111.db2.gz KOGYBTNCZPKCKQ-TZMCWYRMSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001574739928 950215866 /nfs/dbraw/zinc/21/58/66/950215866.db2.gz ZJXTYNLDEIATPX-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C[NH2+]CCn1cccn1 ZINC001576191985 950219673 /nfs/dbraw/zinc/21/96/73/950219673.db2.gz KYFATSZZCCKHLT-HIFRSBDPSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C[NH2+]CCn1cccn1 ZINC001576191985 950219688 /nfs/dbraw/zinc/21/96/88/950219688.db2.gz KYFATSZZCCKHLT-HIFRSBDPSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC001574983395 950220623 /nfs/dbraw/zinc/22/06/23/950220623.db2.gz OISMZXMQRGNCLQ-NEPJUHHUSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC001574983395 950220645 /nfs/dbraw/zinc/22/06/45/950220645.db2.gz OISMZXMQRGNCLQ-NEPJUHHUSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)nn1 ZINC001575901126 950221091 /nfs/dbraw/zinc/22/10/91/950221091.db2.gz LLHWEYAYQIDDLX-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)nn1 ZINC001575901126 950221109 /nfs/dbraw/zinc/22/11/09/950221109.db2.gz LLHWEYAYQIDDLX-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)nn1 ZINC001575901129 950221375 /nfs/dbraw/zinc/22/13/75/950221375.db2.gz LLHWEYAYQIDDLX-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)nn1 ZINC001575901129 950221390 /nfs/dbraw/zinc/22/13/90/950221390.db2.gz LLHWEYAYQIDDLX-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnn(C)n1 ZINC001575901134 950221563 /nfs/dbraw/zinc/22/15/63/950221563.db2.gz LPZNOUNTHGSYAI-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576192048 950221750 /nfs/dbraw/zinc/22/17/50/950221750.db2.gz JNJNKXHOEYNVHK-ZDUSSCGKSA-N 0 3 388.476 0.457 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576192048 950221767 /nfs/dbraw/zinc/22/17/67/950221767.db2.gz JNJNKXHOEYNVHK-ZDUSSCGKSA-N 0 3 388.476 0.457 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC001574983550 950227335 /nfs/dbraw/zinc/22/73/35/950227335.db2.gz PHRYVYORXOUTTC-STQMWFEESA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC001574983550 950227357 /nfs/dbraw/zinc/22/73/57/950227357.db2.gz PHRYVYORXOUTTC-STQMWFEESA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576192400 950241044 /nfs/dbraw/zinc/24/10/44/950241044.db2.gz NRTXOFOOOJBYQQ-QWHCGFSZSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576192400 950241055 /nfs/dbraw/zinc/24/10/55/950241055.db2.gz NRTXOFOOOJBYQQ-QWHCGFSZSA-N 0 3 388.476 0.361 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573845814 950242017 /nfs/dbraw/zinc/24/20/17/950242017.db2.gz NCBFBQBTDKAPSF-UHFFFAOYSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573845814 950242035 /nfs/dbraw/zinc/24/20/35/950242035.db2.gz NCBFBQBTDKAPSF-UHFFFAOYSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574741547 950243579 /nfs/dbraw/zinc/24/35/79/950243579.db2.gz JCPDXJNWYUPAGV-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574741547 950243601 /nfs/dbraw/zinc/24/36/01/950243601.db2.gz JCPDXJNWYUPAGV-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cnnn1C ZINC001575901898 950247567 /nfs/dbraw/zinc/24/75/67/950247567.db2.gz RKMDJZANMBUCRW-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cnnn1C ZINC001575901898 950247582 /nfs/dbraw/zinc/24/75/82/950247582.db2.gz RKMDJZANMBUCRW-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575902087 950249900 /nfs/dbraw/zinc/24/99/00/950249900.db2.gz SEHAVKKOANHVDT-OCCSQVGLSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573846766 950254389 /nfs/dbraw/zinc/25/43/89/950254389.db2.gz VKDFKDFEDCAIST-BJHJDKERSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574984092 950255204 /nfs/dbraw/zinc/25/52/04/950255204.db2.gz WKPZPHSPEWAQNW-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574984092 950255225 /nfs/dbraw/zinc/25/52/25/950255225.db2.gz WKPZPHSPEWAQNW-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574984092 950255239 /nfs/dbraw/zinc/25/52/39/950255239.db2.gz WKPZPHSPEWAQNW-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574984092 950255256 /nfs/dbraw/zinc/25/52/56/950255256.db2.gz WKPZPHSPEWAQNW-AVGNSLFASA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001574741682 950255830 /nfs/dbraw/zinc/25/58/30/950255830.db2.gz KSSZNWXMMGMVHI-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1[C@@H]([NH2+]CC(=O)NCC(C)(C)C)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575902305 950256502 /nfs/dbraw/zinc/25/65/02/950256502.db2.gz UOFLPIPGWULGJJ-AAEUAGOBSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC001574498079 950261155 /nfs/dbraw/zinc/26/11/55/950261155.db2.gz JPSJTOSXLNBTEF-WMLDXEAASA-N 0 3 383.456 0.886 20 0 GCADHN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC001574498079 950261172 /nfs/dbraw/zinc/26/11/72/950261172.db2.gz JPSJTOSXLNBTEF-WMLDXEAASA-N 0 3 383.456 0.886 20 0 GCADHN C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192714 950261389 /nfs/dbraw/zinc/26/13/89/950261389.db2.gz QFQCNHJOZKEJFD-UONOGXRCSA-N 0 3 381.444 0.477 20 0 GCADHN C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192715 950262221 /nfs/dbraw/zinc/26/22/21/950262221.db2.gz QFQCNHJOZKEJFD-ZIAGYGMSSA-N 0 3 381.444 0.477 20 0 GCADHN C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192712 950262857 /nfs/dbraw/zinc/26/28/57/950262857.db2.gz QFQCNHJOZKEJFD-KBPBESRZSA-N 0 3 381.444 0.477 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573849795 950263527 /nfs/dbraw/zinc/26/35/27/950263527.db2.gz CHJCFMQQVMADJU-NSHDSACASA-N 0 3 389.464 0.097 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573849795 950263547 /nfs/dbraw/zinc/26/35/47/950263547.db2.gz CHJCFMQQVMADJU-NSHDSACASA-N 0 3 389.464 0.097 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573849800 950264637 /nfs/dbraw/zinc/26/46/37/950264637.db2.gz CKLYVENVYZCJBM-TXEJJXNPSA-N 0 3 389.464 0.143 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573849800 950264657 /nfs/dbraw/zinc/26/46/57/950264657.db2.gz CKLYVENVYZCJBM-TXEJJXNPSA-N 0 3 389.464 0.143 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)C1 ZINC001576192844 950272187 /nfs/dbraw/zinc/27/21/87/950272187.db2.gz PXUHERILAOCJJQ-WFASDCNBSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)C1 ZINC001576192844 950272206 /nfs/dbraw/zinc/27/22/06/950272206.db2.gz PXUHERILAOCJJQ-WFASDCNBSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575903267 950277783 /nfs/dbraw/zinc/27/77/83/950277783.db2.gz ZFFLYDSIOINMJG-JWXIPPKESA-N 0 3 386.431 0.977 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575903267 950277801 /nfs/dbraw/zinc/27/78/01/950277801.db2.gz ZFFLYDSIOINMJG-JWXIPPKESA-N 0 3 386.431 0.977 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573851087 950282345 /nfs/dbraw/zinc/28/23/45/950282345.db2.gz QYCXUHPSPCFNKK-JOCQHMNTSA-N 0 3 388.476 0.740 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573851087 950282360 /nfs/dbraw/zinc/28/23/60/950282360.db2.gz QYCXUHPSPCFNKK-JOCQHMNTSA-N 0 3 388.476 0.740 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576193254 950292312 /nfs/dbraw/zinc/29/23/12/950292312.db2.gz TZQQRORXPDWAKJ-OCCSQVGLSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576193254 950292333 /nfs/dbraw/zinc/29/23/33/950292333.db2.gz TZQQRORXPDWAKJ-OCCSQVGLSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccc1 ZINC001574499080 950293598 /nfs/dbraw/zinc/29/35/98/950293598.db2.gz RXNYDWHZMGLWDQ-ZBFHGGJFSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cccc1 ZINC001574499080 950293616 /nfs/dbraw/zinc/29/36/16/950293616.db2.gz RXNYDWHZMGLWDQ-ZBFHGGJFSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccn1 ZINC001574499151 950295786 /nfs/dbraw/zinc/29/57/86/950295786.db2.gz SIQAPBQRCIYYTN-BBRMVZONSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC001574499151 950295804 /nfs/dbraw/zinc/29/58/04/950295804.db2.gz SIQAPBQRCIYYTN-BBRMVZONSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576193741 950312230 /nfs/dbraw/zinc/31/22/30/950312230.db2.gz WPSUXNHHIPTANH-TZMCWYRMSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576193741 950312252 /nfs/dbraw/zinc/31/22/52/950312252.db2.gz WPSUXNHHIPTANH-TZMCWYRMSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574743109 950315171 /nfs/dbraw/zinc/31/51/71/950315171.db2.gz RRIQFYIYEHAEHC-JLLWLGSASA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574743109 950315192 /nfs/dbraw/zinc/31/51/92/950315192.db2.gz RRIQFYIYEHAEHC-JLLWLGSASA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCCC(N)=O ZINC001575906569 950316764 /nfs/dbraw/zinc/31/67/64/950316764.db2.gz JHFOHYHFNQVUQL-NHYWBVRUSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001574743734 950335825 /nfs/dbraw/zinc/33/58/25/950335825.db2.gz VQKNSZDGRIXDJR-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574988983 950355230 /nfs/dbraw/zinc/35/52/30/950355230.db2.gz WXSMKWNJOVVGGR-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574988983 950355248 /nfs/dbraw/zinc/35/52/48/950355248.db2.gz WXSMKWNJOVVGGR-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573855209 950360279 /nfs/dbraw/zinc/36/02/79/950360279.db2.gz LTNQHPHWPUGGBA-GOSISDBHSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1nccnc1N ZINC001575908491 950362266 /nfs/dbraw/zinc/36/22/66/950362266.db2.gz CGBQZTSJMWVCDK-SMDDNHRTSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1nccnc1N ZINC001575908491 950362277 /nfs/dbraw/zinc/36/22/77/950362277.db2.gz CGBQZTSJMWVCDK-SMDDNHRTSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574502197 950363822 /nfs/dbraw/zinc/36/38/22/950363822.db2.gz KIEHOXJQUDQBIG-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574502197 950363843 /nfs/dbraw/zinc/36/38/43/950363843.db2.gz KIEHOXJQUDQBIG-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574502197 950363862 /nfs/dbraw/zinc/36/38/62/950363862.db2.gz KIEHOXJQUDQBIG-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574502197 950363879 /nfs/dbraw/zinc/36/38/79/950363879.db2.gz KIEHOXJQUDQBIG-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN CC1CC[NH+](CC(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001576196671 950367661 /nfs/dbraw/zinc/36/76/61/950367661.db2.gz FVCFVYYBRCHJEN-AWEZNQCLSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576196955 950376042 /nfs/dbraw/zinc/37/60/42/950376042.db2.gz KHPXVFUAKMKXNX-CYBMUJFWSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576196955 950376064 /nfs/dbraw/zinc/37/60/64/950376064.db2.gz KHPXVFUAKMKXNX-CYBMUJFWSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196917 950380440 /nfs/dbraw/zinc/38/04/40/950380440.db2.gz JACBDBGLDVEODL-UONOGXRCSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196917 950380461 /nfs/dbraw/zinc/38/04/61/950380461.db2.gz JACBDBGLDVEODL-UONOGXRCSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)c1ncn(C)n1 ZINC001575909244 950392014 /nfs/dbraw/zinc/39/20/14/950392014.db2.gz XYAVHOOGJJRIKZ-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)c1ncn(C)n1 ZINC001575909244 950392038 /nfs/dbraw/zinc/39/20/38/950392038.db2.gz XYAVHOOGJJRIKZ-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)Cc1cncn1C ZINC001575909509 950396839 /nfs/dbraw/zinc/39/68/39/950396839.db2.gz GVXXKKQXXHZDMV-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)Cc1cncn1C ZINC001575909509 950396855 /nfs/dbraw/zinc/39/68/55/950396855.db2.gz GVXXKKQXXHZDMV-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575909504 950397700 /nfs/dbraw/zinc/39/77/00/950397700.db2.gz GVNGYQFKWJZCCZ-FZMZJTMJSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575909504 950397720 /nfs/dbraw/zinc/39/77/20/950397720.db2.gz GVNGYQFKWJZCCZ-FZMZJTMJSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)Cc1cncn1C ZINC001575909508 950398636 /nfs/dbraw/zinc/39/86/36/950398636.db2.gz GVXXKKQXXHZDMV-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)Cc1cncn1C ZINC001575909508 950398658 /nfs/dbraw/zinc/39/86/58/950398658.db2.gz GVXXKKQXXHZDMV-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001574747224 950406482 /nfs/dbraw/zinc/40/64/82/950406482.db2.gz SKZGKCIUCXKRPF-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001574747224 950406491 /nfs/dbraw/zinc/40/64/91/950406491.db2.gz SKZGKCIUCXKRPF-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)C1 ZINC001576198397 950408506 /nfs/dbraw/zinc/40/85/06/950408506.db2.gz SICNYFMHJVMCAX-GFCCVEGCSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)C1 ZINC001576198397 950408520 /nfs/dbraw/zinc/40/85/20/950408520.db2.gz SICNYFMHJVMCAX-GFCCVEGCSA-N 0 3 386.460 0.257 20 0 GCADHN CC1CC[NH+](CC(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001576199208 950419362 /nfs/dbraw/zinc/41/93/62/950419362.db2.gz XIYFVBTXNIYDNF-UHFFFAOYSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576199252 950419833 /nfs/dbraw/zinc/41/98/33/950419833.db2.gz XVNVZSUVJCJFAZ-LSDHHAIUSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576199252 950419842 /nfs/dbraw/zinc/41/98/42/950419842.db2.gz XVNVZSUVJCJFAZ-LSDHHAIUSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198912 950419980 /nfs/dbraw/zinc/41/99/80/950419980.db2.gz WLNHHMZOKKUWRO-ZIAGYGMSSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198912 950419989 /nfs/dbraw/zinc/41/99/89/950419989.db2.gz WLNHHMZOKKUWRO-ZIAGYGMSSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575910452 950420698 /nfs/dbraw/zinc/42/06/98/950420698.db2.gz LBPHHMYANGBZMG-WCQYABFASA-N 0 3 382.428 0.286 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575910452 950420711 /nfs/dbraw/zinc/42/07/11/950420711.db2.gz LBPHHMYANGBZMG-WCQYABFASA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001574992033 950427953 /nfs/dbraw/zinc/42/79/53/950427953.db2.gz VOQDUXTWIXYHRD-LBPRGKRZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001574992390 950445990 /nfs/dbraw/zinc/44/59/90/950445990.db2.gz BFDFNAZJUCBBGJ-XHDPSFHLSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001574992390 950446001 /nfs/dbraw/zinc/44/60/01/950446001.db2.gz BFDFNAZJUCBBGJ-XHDPSFHLSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575911628 950446953 /nfs/dbraw/zinc/44/69/53/950446953.db2.gz OUJRCPDCUDNJCW-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575911628 950446965 /nfs/dbraw/zinc/44/69/65/950446965.db2.gz OUJRCPDCUDNJCW-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCn1ccnn1 ZINC001575911668 950452430 /nfs/dbraw/zinc/45/24/30/950452430.db2.gz OYUSAPFRZDQEFW-CJNGLKHVSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCn1ccnn1 ZINC001575911668 950452436 /nfs/dbraw/zinc/45/24/36/950452436.db2.gz OYUSAPFRZDQEFW-CJNGLKHVSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)C1 ZINC001576204044 950455918 /nfs/dbraw/zinc/45/59/18/950455918.db2.gz KENZQORGEVEWTK-MEWXFMAXSA-N 0 3 398.471 0.398 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)C1 ZINC001576204044 950455936 /nfs/dbraw/zinc/45/59/36/950455936.db2.gz KENZQORGEVEWTK-MEWXFMAXSA-N 0 3 398.471 0.398 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001574751632 950461705 /nfs/dbraw/zinc/46/17/05/950461705.db2.gz PKYBATZGGQTSHW-LBPRGKRZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576204347 950461932 /nfs/dbraw/zinc/46/19/32/950461932.db2.gz OGBJPYWYHGNDDC-SGTLLEGYSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576204347 950461944 /nfs/dbraw/zinc/46/19/44/950461944.db2.gz OGBJPYWYHGNDDC-SGTLLEGYSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576204348 950463603 /nfs/dbraw/zinc/46/36/03/950463603.db2.gz OGBJPYWYHGNDDC-XIKOKIGWSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576204348 950463616 /nfs/dbraw/zinc/46/36/16/950463616.db2.gz OGBJPYWYHGNDDC-XIKOKIGWSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1ccnn1 ZINC001575912221 950465282 /nfs/dbraw/zinc/46/52/82/950465282.db2.gz QQVXYDDFNQIIPI-CJNGLKHVSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnn1 ZINC001575912221 950465289 /nfs/dbraw/zinc/46/52/89/950465289.db2.gz QQVXYDDFNQIIPI-CJNGLKHVSA-N 0 3 381.444 0.628 20 0 GCADHN CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576204572 950469569 /nfs/dbraw/zinc/46/95/69/950469569.db2.gz QGIWZXMVDQOSNW-KBPBESRZSA-N 0 3 383.460 0.178 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CN1CCCC1=O ZINC001575914497 950494935 /nfs/dbraw/zinc/49/49/35/950494935.db2.gz UWEBQVASFSCICC-XJKSGUPXSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CN1CCCC1=O ZINC001575914497 950494950 /nfs/dbraw/zinc/49/49/50/950494950.db2.gz UWEBQVASFSCICC-XJKSGUPXSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCC(=O)NC1 ZINC001575605982 950495009 /nfs/dbraw/zinc/49/50/09/950495009.db2.gz ZHCNHSMIYGWAHW-ZRGWGRIASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CCC(=O)NC1 ZINC001575605982 950495020 /nfs/dbraw/zinc/49/50/20/950495020.db2.gz ZHCNHSMIYGWAHW-ZRGWGRIASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576205183 950504505 /nfs/dbraw/zinc/50/45/05/950504505.db2.gz GWPAHAPKIMLGHX-KBPBESRZSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576205183 950504524 /nfs/dbraw/zinc/50/45/24/950504524.db2.gz GWPAHAPKIMLGHX-KBPBESRZSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001574995646 950511060 /nfs/dbraw/zinc/51/10/60/950511060.db2.gz FTJQRDNDBOICDJ-NSHDSACASA-N 0 3 383.412 0.874 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001574995646 950511081 /nfs/dbraw/zinc/51/10/81/950511081.db2.gz FTJQRDNDBOICDJ-NSHDSACASA-N 0 3 383.412 0.874 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574995697 950517474 /nfs/dbraw/zinc/51/74/74/950517474.db2.gz GXXJFLJGFJTYQR-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574995697 950517489 /nfs/dbraw/zinc/51/74/89/950517489.db2.gz GXXJFLJGFJTYQR-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574995697 950517505 /nfs/dbraw/zinc/51/75/05/950517505.db2.gz GXXJFLJGFJTYQR-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574995697 950517522 /nfs/dbraw/zinc/51/75/22/950517522.db2.gz GXXJFLJGFJTYQR-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574753536 950526324 /nfs/dbraw/zinc/52/63/24/950526324.db2.gz ORPVXLMKHQWWBQ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574753536 950526343 /nfs/dbraw/zinc/52/63/43/950526343.db2.gz ORPVXLMKHQWWBQ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NCCC2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576206025 950552566 /nfs/dbraw/zinc/55/25/66/950552566.db2.gz SRSUGAAVYVGGLB-ZDUSSCGKSA-N 0 3 385.476 0.697 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NCCC2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576206025 950552581 /nfs/dbraw/zinc/55/25/81/950552581.db2.gz SRSUGAAVYVGGLB-ZDUSSCGKSA-N 0 3 385.476 0.697 20 0 GCADHN C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C)NC(N)=O ZINC001574511376 950556606 /nfs/dbraw/zinc/55/66/06/950556606.db2.gz JDBGXRUXLIEFAY-TYNCELHUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C)NC(N)=O ZINC001574511376 950556622 /nfs/dbraw/zinc/55/66/22/950556622.db2.gz JDBGXRUXLIEFAY-TYNCELHUSA-N 0 3 386.460 0.250 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573869607 950571039 /nfs/dbraw/zinc/57/10/39/950571039.db2.gz AFWWLYULAVVUCR-LJQANCHMSA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573869607 950571056 /nfs/dbraw/zinc/57/10/56/950571056.db2.gz AFWWLYULAVVUCR-LJQANCHMSA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573869607 950571075 /nfs/dbraw/zinc/57/10/75/950571075.db2.gz AFWWLYULAVVUCR-LJQANCHMSA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573869607 950571089 /nfs/dbraw/zinc/57/10/89/950571089.db2.gz AFWWLYULAVVUCR-LJQANCHMSA-N 0 3 388.472 0.735 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576206657 950579650 /nfs/dbraw/zinc/57/96/50/950579650.db2.gz YPQMBFLWYUZSPD-UONOGXRCSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576206657 950579668 /nfs/dbraw/zinc/57/96/68/950579668.db2.gz YPQMBFLWYUZSPD-UONOGXRCSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)C1 ZINC001576207399 950593136 /nfs/dbraw/zinc/59/31/36/950593136.db2.gz HCMKSIXBWYUHPG-MGPQQGTHSA-N 0 3 385.476 0.187 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)C1 ZINC001576207399 950593157 /nfs/dbraw/zinc/59/31/57/950593157.db2.gz HCMKSIXBWYUHPG-MGPQQGTHSA-N 0 3 385.476 0.187 20 0 GCADHN C[C@@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575001138 950624822 /nfs/dbraw/zinc/62/48/22/950624822.db2.gz UCXHYERAWKPLJL-NSHDSACASA-N 0 3 385.432 0.566 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574515307 950629283 /nfs/dbraw/zinc/62/92/83/950629283.db2.gz COHXTBGNWQPRFA-DLOVCJGASA-N 0 3 390.423 0.190 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574515307 950629292 /nfs/dbraw/zinc/62/92/92/950629292.db2.gz COHXTBGNWQPRFA-DLOVCJGASA-N 0 3 390.423 0.190 20 0 GCADHN C[C@H](CNC(=O)c1cc(CN(C)C)on1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575001624 950641885 /nfs/dbraw/zinc/64/18/85/950641885.db2.gz WRVQEOUVJMPKDV-SNVBAGLBSA-N 0 3 390.473 0.886 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn[nH]c(=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574760274 950658866 /nfs/dbraw/zinc/65/88/66/950658866.db2.gz IFDFMJQPYRODSP-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)n1ccnc1 ZINC001574518748 950660747 /nfs/dbraw/zinc/66/07/47/950660747.db2.gz QUFZAYXRVPSZDB-HVOFVXBASA-N 0 3 379.428 0.660 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575005375 950680108 /nfs/dbraw/zinc/68/01/08/950680108.db2.gz CKYDEICDTKFCJS-LBPRGKRZSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575005375 950680117 /nfs/dbraw/zinc/68/01/17/950680117.db2.gz CKYDEICDTKFCJS-LBPRGKRZSA-N 0 3 382.428 0.754 20 0 GCADHN CCNC(=O)COc1ccc(C[NH2+]C2CCN(CC(=O)[O-])CC2)cc1OC ZINC001589883504 950704668 /nfs/dbraw/zinc/70/46/68/950704668.db2.gz FHFDLPFODDRVSD-UHFFFAOYSA-N 0 3 379.457 0.849 20 0 GCADHN C[C@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574763834 950734832 /nfs/dbraw/zinc/73/48/32/950734832.db2.gz LVCCJWHMFGNAPS-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574763834 950734850 /nfs/dbraw/zinc/73/48/50/950734850.db2.gz LVCCJWHMFGNAPS-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574763833 950735309 /nfs/dbraw/zinc/73/53/09/950735309.db2.gz LVCCJWHMFGNAPS-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574763833 950735322 /nfs/dbraw/zinc/73/53/22/950735322.db2.gz LVCCJWHMFGNAPS-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CN1CCOCC1 ZINC001574520899 950758762 /nfs/dbraw/zinc/75/87/62/950758762.db2.gz AWLRSOXGXIDJEY-LSDHHAIUSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CN1CCOCC1 ZINC001574520899 950758778 /nfs/dbraw/zinc/75/87/78/950758778.db2.gz AWLRSOXGXIDJEY-LSDHHAIUSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001575008895 950760828 /nfs/dbraw/zinc/76/08/28/950760828.db2.gz JVEARQGTKQVPOP-LBPRGKRZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001575008877 950761696 /nfs/dbraw/zinc/76/16/96/950761696.db2.gz JMDCNOFMEWPQAK-XHDPSFHLSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574521028 950765826 /nfs/dbraw/zinc/76/58/26/950765826.db2.gz CMZUSUDLSZWLBN-NEPJUHHUSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCC[NH+](C)C ZINC001574521056 950767394 /nfs/dbraw/zinc/76/73/94/950767394.db2.gz CSEZSAUYLDQVAI-NEPJUHHUSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCC[NH+](C)C ZINC001574521056 950767413 /nfs/dbraw/zinc/76/74/13/950767413.db2.gz CSEZSAUYLDQVAI-NEPJUHHUSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574521366 950774609 /nfs/dbraw/zinc/77/46/09/950774609.db2.gz FSBRKDHMPWYCLS-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574521366 950774626 /nfs/dbraw/zinc/77/46/26/950774626.db2.gz FSBRKDHMPWYCLS-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575009611 950794498 /nfs/dbraw/zinc/79/44/98/950794498.db2.gz VNXVJOVRSZTKMV-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575009611 950794512 /nfs/dbraw/zinc/79/45/12/950794512.db2.gz VNXVJOVRSZTKMV-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575009611 950794520 /nfs/dbraw/zinc/79/45/20/950794520.db2.gz VNXVJOVRSZTKMV-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575009611 950794534 /nfs/dbraw/zinc/79/45/34/950794534.db2.gz VNXVJOVRSZTKMV-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CCn1ccnn1 ZINC001574523692 950822889 /nfs/dbraw/zinc/82/28/89/950822889.db2.gz PMNRMVFHLJFEMX-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CCn1ccnn1 ZINC001574523692 950822908 /nfs/dbraw/zinc/82/29/08/950822908.db2.gz PMNRMVFHLJFEMX-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@H+](C)C[C@H](O)CC(F)(F)F ZINC001575010854 950836567 /nfs/dbraw/zinc/83/65/67/950836567.db2.gz JTLSAIWYOQYQIU-RKDXNWHRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC001575010854 950836583 /nfs/dbraw/zinc/83/65/83/950836583.db2.gz JTLSAIWYOQYQIU-RKDXNWHRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574523941 950838473 /nfs/dbraw/zinc/83/84/73/950838473.db2.gz SJVUZABVIVUTPA-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1cnnn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574523941 950838492 /nfs/dbraw/zinc/83/84/92/950838492.db2.gz SJVUZABVIVUTPA-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCn1ccnn1 ZINC001574523970 950839841 /nfs/dbraw/zinc/83/98/41/950839841.db2.gz SQXFABOAHZFAQO-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCn1ccnn1 ZINC001574523970 950839869 /nfs/dbraw/zinc/83/98/69/950839869.db2.gz SQXFABOAHZFAQO-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[N@H+](C)C[C@H](O)Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767209 950841052 /nfs/dbraw/zinc/84/10/52/950841052.db2.gz NBYVOBFKNYLSDP-UKRRQHHQSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@H](O)Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767209 950841083 /nfs/dbraw/zinc/84/10/83/950841083.db2.gz NBYVOBFKNYLSDP-UKRRQHHQSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)CCNC(N)=O ZINC001574524111 950848359 /nfs/dbraw/zinc/84/83/59/950848359.db2.gz TXBDNYBWRSWPJH-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)CCNC(N)=O ZINC001574524111 950848378 /nfs/dbraw/zinc/84/83/78/950848378.db2.gz TXBDNYBWRSWPJH-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CCn1cncn1 ZINC001574524406 950859228 /nfs/dbraw/zinc/85/92/28/950859228.db2.gz WFTFVAGUWZMLDW-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CCn1cncn1 ZINC001574524406 950859246 /nfs/dbraw/zinc/85/92/46/950859246.db2.gz WFTFVAGUWZMLDW-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CN1CCOCC1 ZINC001574524538 950866321 /nfs/dbraw/zinc/86/63/21/950866321.db2.gz XZQBSBJPOZHWEM-HUUCEWRRSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CN1CCOCC1 ZINC001574524538 950866339 /nfs/dbraw/zinc/86/63/39/950866339.db2.gz XZQBSBJPOZHWEM-HUUCEWRRSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC001575011976 950871082 /nfs/dbraw/zinc/87/10/82/950871082.db2.gz VBKBVRLVASHPHE-DZGCQCFKSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC001575011976 950871106 /nfs/dbraw/zinc/87/11/06/950871106.db2.gz VBKBVRLVASHPHE-DZGCQCFKSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576227087 950901565 /nfs/dbraw/zinc/90/15/65/950901565.db2.gz BITNPRTXVGLYDX-CHWSQXEVSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnn(C)n1)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574529986 950965943 /nfs/dbraw/zinc/96/59/43/950965943.db2.gz SBEJYZJGPJOBAN-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC001575017087 950976053 /nfs/dbraw/zinc/97/60/53/950976053.db2.gz HEZPXSOXAMQVJE-QWHCGFSZSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530672 950991495 /nfs/dbraw/zinc/99/14/95/950991495.db2.gz DHLJDTJOEQZINU-RYUDHWBXSA-N 0 3 390.492 0.844 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001575018988 951028387 /nfs/dbraw/zinc/02/83/87/951028387.db2.gz SDAHKXZEBNOBHS-DZGCQCFKSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001575018988 951028403 /nfs/dbraw/zinc/02/84/03/951028403.db2.gz SDAHKXZEBNOBHS-DZGCQCFKSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575020132 951051216 /nfs/dbraw/zinc/05/12/16/951051216.db2.gz YVLXAAXJDWQUMA-JTQLQIEISA-N 0 3 386.391 0.008 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575020132 951051230 /nfs/dbraw/zinc/05/12/30/951051230.db2.gz YVLXAAXJDWQUMA-JTQLQIEISA-N 0 3 386.391 0.008 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575026703 951145372 /nfs/dbraw/zinc/14/53/72/951145372.db2.gz MDYWWRFSKNIIHN-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575026703 951145378 /nfs/dbraw/zinc/14/53/78/951145378.db2.gz MDYWWRFSKNIIHN-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575031499 951193354 /nfs/dbraw/zinc/19/33/54/951193354.db2.gz BNMHBNUJSMOLSZ-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575031499 951193356 /nfs/dbraw/zinc/19/33/56/951193356.db2.gz BNMHBNUJSMOLSZ-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575044382 951413854 /nfs/dbraw/zinc/41/38/54/951413854.db2.gz RQFMVWYRAGYBIW-GFCCVEGCSA-N 0 3 381.444 0.631 20 0 GCADHN C[C@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575044382 951413857 /nfs/dbraw/zinc/41/38/57/951413857.db2.gz RQFMVWYRAGYBIW-GFCCVEGCSA-N 0 3 381.444 0.631 20 0 GCADHN C[C@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575046939 951450671 /nfs/dbraw/zinc/45/06/71/951450671.db2.gz VIVOJMCXGWBUHJ-GFCCVEGCSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575046939 951450676 /nfs/dbraw/zinc/45/06/76/951450676.db2.gz VIVOJMCXGWBUHJ-GFCCVEGCSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(C)c1N)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575052768 951470914 /nfs/dbraw/zinc/47/09/14/951470914.db2.gz NYOAWUSXBNJIOE-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(C)c1N)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575052768 951470922 /nfs/dbraw/zinc/47/09/22/951470922.db2.gz NYOAWUSXBNJIOE-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575057834 951529147 /nfs/dbraw/zinc/52/91/47/951529147.db2.gz REFSPXFAVBORJJ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575057834 951529155 /nfs/dbraw/zinc/52/91/55/951529155.db2.gz REFSPXFAVBORJJ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575057834 951529161 /nfs/dbraw/zinc/52/91/61/951529161.db2.gz REFSPXFAVBORJJ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575057834 951529173 /nfs/dbraw/zinc/52/91/73/951529173.db2.gz REFSPXFAVBORJJ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)c1nccn2ccnc12)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575067949 951626776 /nfs/dbraw/zinc/62/67/76/951626776.db2.gz STAKXVYIBFZSAM-LBPRGKRZSA-N 0 3 377.412 0.818 20 0 GCADHN C[C@@H](CNC(=O)c1nccn2ccnc12)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575067949 951626781 /nfs/dbraw/zinc/62/67/81/951626781.db2.gz STAKXVYIBFZSAM-LBPRGKRZSA-N 0 3 377.412 0.818 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NCC(C)(C)C ZINC001575069110 951640583 /nfs/dbraw/zinc/64/05/83/951640583.db2.gz GINTYQCHRCDELJ-LLVKDONJSA-N 0 3 376.465 0.313 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001575069658 951645517 /nfs/dbraw/zinc/64/55/17/951645517.db2.gz LKGNNYOWGYRNMU-QWHCGFSZSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001575069658 951645522 /nfs/dbraw/zinc/64/55/22/951645522.db2.gz LKGNNYOWGYRNMU-QWHCGFSZSA-N 0 3 388.476 0.409 20 0 GCADHN O=C([O-])C[NH+]1CCC(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC001595076586 951647496 /nfs/dbraw/zinc/64/74/96/951647496.db2.gz DTTFGDWUHHRULT-GOSISDBHSA-N 0 3 390.484 0.254 20 0 GCADHN C[C@H](C[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575070201 951649637 /nfs/dbraw/zinc/64/96/37/951649637.db2.gz PERHEXPYVSSKSN-RISCZKNCSA-N 0 3 386.460 0.398 20 0 GCADHN C[C@H](C[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575070199 951650138 /nfs/dbraw/zinc/65/01/38/951650138.db2.gz PERHEXPYVSSKSN-BXUZGUMPSA-N 0 3 386.460 0.398 20 0 GCADHN C[C@@H](C[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575070603 951651844 /nfs/dbraw/zinc/65/18/44/951651844.db2.gz SJTJBKWZWXGKAD-FZMZJTMJSA-N 0 3 386.460 0.398 20 0 GCADHN CC(C)N(C(=O)C[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001575071014 951656097 /nfs/dbraw/zinc/65/60/97/951656097.db2.gz WYHLTKNHMXBNOD-ZDUSSCGKSA-N 0 3 390.492 0.796 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077206 951664376 /nfs/dbraw/zinc/66/43/76/951664376.db2.gz ANCQNVBJSBDDAZ-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077206 951664383 /nfs/dbraw/zinc/66/43/83/951664383.db2.gz ANCQNVBJSBDDAZ-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077259 951664520 /nfs/dbraw/zinc/66/45/20/951664520.db2.gz BHNAOYCDEGOCLJ-XHDPSFHLSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077259 951664527 /nfs/dbraw/zinc/66/45/27/951664527.db2.gz BHNAOYCDEGOCLJ-XHDPSFHLSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575077316 951666521 /nfs/dbraw/zinc/66/65/21/951666521.db2.gz FOVWTASUVXWBHW-CZUORRHYSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575077316 951666523 /nfs/dbraw/zinc/66/65/23/951666523.db2.gz FOVWTASUVXWBHW-CZUORRHYSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077582 951671030 /nfs/dbraw/zinc/67/10/30/951671030.db2.gz GXVJNYHEXGXURK-VXGBXAGGSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077582 951671035 /nfs/dbraw/zinc/67/10/35/951671035.db2.gz GXVJNYHEXGXURK-VXGBXAGGSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C(C)(C)C(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077882 951675767 /nfs/dbraw/zinc/67/57/67/951675767.db2.gz JEMKKUHNRYPDJV-JTQLQIEISA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CNC(=O)C(C)(C)C(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077882 951675772 /nfs/dbraw/zinc/67/57/72/951675772.db2.gz JEMKKUHNRYPDJV-JTQLQIEISA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077948 951675787 /nfs/dbraw/zinc/67/57/87/951675787.db2.gz IMOWRYGLJIYFLK-NEPJUHHUSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575078210 951679426 /nfs/dbraw/zinc/67/94/26/951679426.db2.gz JSPXXLRRPLKLNT-IUODEOHRSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)Nc1ccccc1 ZINC001575078544 951682338 /nfs/dbraw/zinc/68/23/38/951682338.db2.gz KONVBKJOPROVAU-LBPRGKRZSA-N 0 3 382.428 0.789 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078582 951683059 /nfs/dbraw/zinc/68/30/59/951683059.db2.gz KTRMTAAJWJNWEP-WDEREUQCSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078582 951683066 /nfs/dbraw/zinc/68/30/66/951683066.db2.gz KTRMTAAJWJNWEP-WDEREUQCSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575078883 951685791 /nfs/dbraw/zinc/68/57/91/951685791.db2.gz AVDDDDREVXKJRB-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575078883 951685796 /nfs/dbraw/zinc/68/57/96/951685796.db2.gz AVDDDDREVXKJRB-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079255 951689654 /nfs/dbraw/zinc/68/96/54/951689654.db2.gz MSBWHZJOSZPHDW-WFASDCNBSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079255 951689660 /nfs/dbraw/zinc/68/96/60/951689660.db2.gz MSBWHZJOSZPHDW-WFASDCNBSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575079360 951691206 /nfs/dbraw/zinc/69/12/06/951691206.db2.gz DCCQPFHBOQMOFS-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575079360 951691215 /nfs/dbraw/zinc/69/12/15/951691215.db2.gz DCCQPFHBOQMOFS-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079508 951692408 /nfs/dbraw/zinc/69/24/08/951692408.db2.gz FQYVECLSULYVBA-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079508 951692414 /nfs/dbraw/zinc/69/24/14/951692414.db2.gz FQYVECLSULYVBA-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079507 951692777 /nfs/dbraw/zinc/69/27/77/951692777.db2.gz FQYVECLSULYVBA-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079507 951692787 /nfs/dbraw/zinc/69/27/87/951692787.db2.gz FQYVECLSULYVBA-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001575079564 951695170 /nfs/dbraw/zinc/69/51/70/951695170.db2.gz RJJACCHEIPFGNP-GHMZBOCLSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001575079564 951695175 /nfs/dbraw/zinc/69/51/75/951695175.db2.gz RJJACCHEIPFGNP-GHMZBOCLSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCNC(N)=O ZINC001575080004 951701414 /nfs/dbraw/zinc/70/14/14/951701414.db2.gz ITJVKFLHWACYMO-JTQLQIEISA-N 0 3 378.412 0.001 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCNC(N)=O ZINC001575080004 951701416 /nfs/dbraw/zinc/70/14/16/951701416.db2.gz ITJVKFLHWACYMO-JTQLQIEISA-N 0 3 378.412 0.001 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575080169 951704946 /nfs/dbraw/zinc/70/49/46/951704946.db2.gz WNWIUZOHOBKEBN-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575080170 951705121 /nfs/dbraw/zinc/70/51/21/951705121.db2.gz WNWIUZOHOBKEBN-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575080216 951706720 /nfs/dbraw/zinc/70/67/20/951706720.db2.gz PXYLNXMTBAKUPN-UKRRQHHQSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575080216 951706727 /nfs/dbraw/zinc/70/67/27/951706727.db2.gz PXYLNXMTBAKUPN-UKRRQHHQSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1nccnc1N ZINC001575080567 951712012 /nfs/dbraw/zinc/71/20/12/951712012.db2.gz YFBQYVKKWVOONA-SNVBAGLBSA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575080679 951712373 /nfs/dbraw/zinc/71/23/73/951712373.db2.gz MPDCQBPTINJIRI-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575080679 951712377 /nfs/dbraw/zinc/71/23/77/951712377.db2.gz MPDCQBPTINJIRI-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575080535 951713273 /nfs/dbraw/zinc/71/32/73/951713273.db2.gz XYAGUYUIUHXPMJ-ZANVPECISA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080706 951714959 /nfs/dbraw/zinc/71/49/59/951714959.db2.gz NCTBFTZKARDFKJ-SNVBAGLBSA-N 0 3 385.407 0.534 20 0 GCADHN C[C@@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080706 951714965 /nfs/dbraw/zinc/71/49/65/951714965.db2.gz NCTBFTZKARDFKJ-SNVBAGLBSA-N 0 3 385.407 0.534 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575080814 951716524 /nfs/dbraw/zinc/71/65/24/951716524.db2.gz NSNQHCKVRRFBMX-NWDGAFQWSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575080814 951716533 /nfs/dbraw/zinc/71/65/33/951716533.db2.gz NSNQHCKVRRFBMX-NWDGAFQWSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575081717 951725457 /nfs/dbraw/zinc/72/54/57/951725457.db2.gz SAYUCSJQRLUKFB-SNVBAGLBSA-N 0 3 387.423 0.477 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575081717 951725465 /nfs/dbraw/zinc/72/54/65/951725465.db2.gz SAYUCSJQRLUKFB-SNVBAGLBSA-N 0 3 387.423 0.477 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082546 951733749 /nfs/dbraw/zinc/73/37/49/951733749.db2.gz WZUBVJRRZGZVCE-SNVBAGLBSA-N 0 3 388.407 0.601 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575082418 951733862 /nfs/dbraw/zinc/73/38/62/951733862.db2.gz YIJSAKRTQADILS-PIGZYNQJSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575082418 951733867 /nfs/dbraw/zinc/73/38/67/951733867.db2.gz YIJSAKRTQADILS-PIGZYNQJSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082681 951735577 /nfs/dbraw/zinc/73/55/77/951735577.db2.gz XVOQHTNKKFNNEA-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082681 951735593 /nfs/dbraw/zinc/73/55/93/951735593.db2.gz XVOQHTNKKFNNEA-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082678 951735703 /nfs/dbraw/zinc/73/57/03/951735703.db2.gz XVOQHTNKKFNNEA-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082678 951735709 /nfs/dbraw/zinc/73/57/09/951735709.db2.gz XVOQHTNKKFNNEA-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082898 951738191 /nfs/dbraw/zinc/73/81/91/951738191.db2.gz ZIYHISOCMBKNDB-MNOVXSKESA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082898 951738196 /nfs/dbraw/zinc/73/81/96/951738196.db2.gz ZIYHISOCMBKNDB-MNOVXSKESA-N 0 3 377.424 0.359 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575088526 951739173 /nfs/dbraw/zinc/73/91/73/951739173.db2.gz AXLYWBZZFMTNRV-GOSISDBHSA-N 0 3 386.460 0.300 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575088526 951739179 /nfs/dbraw/zinc/73/91/79/951739179.db2.gz AXLYWBZZFMTNRV-GOSISDBHSA-N 0 3 386.460 0.300 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089684 951753354 /nfs/dbraw/zinc/75/33/54/951753354.db2.gz HMIXSRYDRACZLI-NWDGAFQWSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089684 951753360 /nfs/dbraw/zinc/75/33/60/951753360.db2.gz HMIXSRYDRACZLI-NWDGAFQWSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089794 951755335 /nfs/dbraw/zinc/75/53/35/951755335.db2.gz IPKNZNICAHGEBZ-IUODEOHRSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089794 951755344 /nfs/dbraw/zinc/75/53/44/951755344.db2.gz IPKNZNICAHGEBZ-IUODEOHRSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575090257 951758887 /nfs/dbraw/zinc/75/88/87/951758887.db2.gz KFEJEKVVUKWLQO-TVQRCGJNSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575090729 951763379 /nfs/dbraw/zinc/76/33/79/951763379.db2.gz LLRYCHDBJVPRBU-VQIMIIECSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575090729 951763384 /nfs/dbraw/zinc/76/33/84/951763384.db2.gz LLRYCHDBJVPRBU-VQIMIIECSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090920 951764882 /nfs/dbraw/zinc/76/48/82/951764882.db2.gz NZPBUNMIEMJZBR-SNVBAGLBSA-N 0 3 385.407 0.534 20 0 GCADHN C[C@@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090920 951764887 /nfs/dbraw/zinc/76/48/87/951764887.db2.gz NZPBUNMIEMJZBR-SNVBAGLBSA-N 0 3 385.407 0.534 20 0 GCADHN C[C@@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090976 951767006 /nfs/dbraw/zinc/76/70/06/951767006.db2.gz MDSKFSPRWQLHMK-GFCCVEGCSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090976 951767010 /nfs/dbraw/zinc/76/70/10/951767010.db2.gz MDSKFSPRWQLHMK-GFCCVEGCSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091210 951771325 /nfs/dbraw/zinc/77/13/25/951771325.db2.gz QDWWXQBBMXHEGD-NHYWBVRUSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091210 951771332 /nfs/dbraw/zinc/77/13/32/951771332.db2.gz QDWWXQBBMXHEGD-NHYWBVRUSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575091212 951771631 /nfs/dbraw/zinc/77/16/31/951771631.db2.gz OKMQQAAINQBKCL-KXBFYZLASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575091212 951771637 /nfs/dbraw/zinc/77/16/37/951771637.db2.gz OKMQQAAINQBKCL-KXBFYZLASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575091577 951778412 /nfs/dbraw/zinc/77/84/12/951778412.db2.gz SHCJNVBAVAOSOC-DGCLKSJQSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)Cc1cnn(C)c1 ZINC001575091978 951787465 /nfs/dbraw/zinc/78/74/65/951787465.db2.gz WXABXJJBIRGHJO-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001575091960 951787660 /nfs/dbraw/zinc/78/76/60/951787660.db2.gz ZWMIOXBUZCVASM-VXGBXAGGSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001575091960 951787668 /nfs/dbraw/zinc/78/76/68/951787668.db2.gz ZWMIOXBUZCVASM-VXGBXAGGSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575092015 951789037 /nfs/dbraw/zinc/78/90/37/951789037.db2.gz XVJGNFVAXRXWEM-DOMZBBRYSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575092015 951789046 /nfs/dbraw/zinc/78/90/46/951789046.db2.gz XVJGNFVAXRXWEM-DOMZBBRYSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575092005 951789438 /nfs/dbraw/zinc/78/94/38/951789438.db2.gz XRFDCMVRJDCARD-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575093819 951802055 /nfs/dbraw/zinc/80/20/55/951802055.db2.gz KYGVBRXKMYYMFO-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575093819 951802062 /nfs/dbraw/zinc/80/20/62/951802062.db2.gz KYGVBRXKMYYMFO-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575093820 951802666 /nfs/dbraw/zinc/80/26/66/951802666.db2.gz KYGVBRXKMYYMFO-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575093820 951802672 /nfs/dbraw/zinc/80/26/72/951802672.db2.gz KYGVBRXKMYYMFO-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575093823 951802916 /nfs/dbraw/zinc/80/29/16/951802916.db2.gz KYSFRKBQTFKJFE-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575093823 951802926 /nfs/dbraw/zinc/80/29/26/951802926.db2.gz KYSFRKBQTFKJFE-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CN1CCCCC1=O ZINC001575094286 951803812 /nfs/dbraw/zinc/80/38/12/951803812.db2.gz MORSJCULJFKJES-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CN1CCCCC1=O ZINC001575094286 951803829 /nfs/dbraw/zinc/80/38/29/951803829.db2.gz MORSJCULJFKJES-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575094786 951805917 /nfs/dbraw/zinc/80/59/17/951805917.db2.gz PKMCJMRLXQKNRI-NSHDSACASA-N 0 3 383.412 0.714 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575094786 951805923 /nfs/dbraw/zinc/80/59/23/951805923.db2.gz PKMCJMRLXQKNRI-NSHDSACASA-N 0 3 383.412 0.714 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575095482 951813683 /nfs/dbraw/zinc/81/36/83/951813683.db2.gz USYUYWMJRCLYGV-YOEHRIQHSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575095482 951813690 /nfs/dbraw/zinc/81/36/90/951813690.db2.gz USYUYWMJRCLYGV-YOEHRIQHSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101551 951861208 /nfs/dbraw/zinc/86/12/08/951861208.db2.gz HCRDENAUUQMLTQ-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101551 951861212 /nfs/dbraw/zinc/86/12/12/951861212.db2.gz HCRDENAUUQMLTQ-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101684 951861904 /nfs/dbraw/zinc/86/19/04/951861904.db2.gz IJTFRGIQJLYDJD-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101684 951861909 /nfs/dbraw/zinc/86/19/09/951861909.db2.gz IJTFRGIQJLYDJD-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103325 951875690 /nfs/dbraw/zinc/87/56/90/951875690.db2.gz SKYYINNFFLDTAD-JTQLQIEISA-N 0 3 388.407 0.601 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103325 951875696 /nfs/dbraw/zinc/87/56/96/951875696.db2.gz SKYYINNFFLDTAD-JTQLQIEISA-N 0 3 388.407 0.601 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103326 951875784 /nfs/dbraw/zinc/87/57/84/951875784.db2.gz SKYYINNFFLDTAD-SNVBAGLBSA-N 0 3 388.407 0.601 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103326 951875793 /nfs/dbraw/zinc/87/57/93/951875793.db2.gz SKYYINNFFLDTAD-SNVBAGLBSA-N 0 3 388.407 0.601 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C1=COCCO1 ZINC001575104140 951881631 /nfs/dbraw/zinc/88/16/31/951881631.db2.gz XRNGZQPCDQIPBX-LLVKDONJSA-N 0 3 376.392 0.831 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C1=COCCO1 ZINC001575104140 951881638 /nfs/dbraw/zinc/88/16/38/951881638.db2.gz XRNGZQPCDQIPBX-LLVKDONJSA-N 0 3 376.392 0.831 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575104570 951887885 /nfs/dbraw/zinc/88/78/85/951887885.db2.gz DYHROLPVJHEUJI-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575104570 951887894 /nfs/dbraw/zinc/88/78/94/951887894.db2.gz DYHROLPVJHEUJI-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104846 951888577 /nfs/dbraw/zinc/88/85/77/951888577.db2.gz FGLZMDYEQRXEPC-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104846 951888581 /nfs/dbraw/zinc/88/85/81/951888581.db2.gz FGLZMDYEQRXEPC-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104897 951889567 /nfs/dbraw/zinc/88/95/67/951889567.db2.gz GNFHWKCVGZQDGP-RYUDHWBXSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104897 951889575 /nfs/dbraw/zinc/88/95/75/951889575.db2.gz GNFHWKCVGZQDGP-RYUDHWBXSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575105596 951895556 /nfs/dbraw/zinc/89/55/56/951895556.db2.gz KXFQPIUHHQNNDM-QFBILLFUSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575105596 951895573 /nfs/dbraw/zinc/89/55/73/951895573.db2.gz KXFQPIUHHQNNDM-QFBILLFUSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105846 951901110 /nfs/dbraw/zinc/90/11/10/951901110.db2.gz OMKHTMFDTHMTJM-LBPRGKRZSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105846 951901118 /nfs/dbraw/zinc/90/11/18/951901118.db2.gz OMKHTMFDTHMTJM-LBPRGKRZSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575106831 951906810 /nfs/dbraw/zinc/90/68/10/951906810.db2.gz VGQHXGOLNQXNPL-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575106831 951906816 /nfs/dbraw/zinc/90/68/16/951906816.db2.gz VGQHXGOLNQXNPL-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107128 951912971 /nfs/dbraw/zinc/91/29/71/951912971.db2.gz ZOTYJTMLRNIAFO-CJNGLKHVSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107128 951912978 /nfs/dbraw/zinc/91/29/78/951912978.db2.gz ZOTYJTMLRNIAFO-CJNGLKHVSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107127 951913593 /nfs/dbraw/zinc/91/35/93/951913593.db2.gz ZOTYJTMLRNIAFO-BBRMVZONSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107127 951913596 /nfs/dbraw/zinc/91/35/96/951913596.db2.gz ZOTYJTMLRNIAFO-BBRMVZONSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107083 951913640 /nfs/dbraw/zinc/91/36/40/951913640.db2.gz YJLKEOWKVIGKJP-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107083 951913646 /nfs/dbraw/zinc/91/36/46/951913646.db2.gz YJLKEOWKVIGKJP-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107327 951917954 /nfs/dbraw/zinc/91/79/54/951917954.db2.gz CPZFKPATTFAISL-NSHDSACASA-N 0 3 383.412 0.714 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107327 951917960 /nfs/dbraw/zinc/91/79/60/951917960.db2.gz CPZFKPATTFAISL-NSHDSACASA-N 0 3 383.412 0.714 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCCn1cncn1 ZINC001575107697 951920542 /nfs/dbraw/zinc/92/05/42/951920542.db2.gz HXMUQLJNSRNNKO-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCCn1cncn1 ZINC001575107697 951920548 /nfs/dbraw/zinc/92/05/48/951920548.db2.gz HXMUQLJNSRNNKO-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575107949 951922447 /nfs/dbraw/zinc/92/24/47/951922447.db2.gz JPQFDFYKBGJBNQ-IUODEOHRSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575107949 951922449 /nfs/dbraw/zinc/92/24/49/951922449.db2.gz JPQFDFYKBGJBNQ-IUODEOHRSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108410 951924257 /nfs/dbraw/zinc/92/42/57/951924257.db2.gz MCEOVZIPFXEZGY-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108410 951924265 /nfs/dbraw/zinc/92/42/65/951924265.db2.gz MCEOVZIPFXEZGY-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCCNC1=O ZINC001575108876 951928697 /nfs/dbraw/zinc/92/86/97/951928697.db2.gz OTDBLONDSIVFBE-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCCNC1=O ZINC001575108876 951928708 /nfs/dbraw/zinc/92/87/08/951928708.db2.gz OTDBLONDSIVFBE-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCCNC1=O ZINC001575108877 951928901 /nfs/dbraw/zinc/92/89/01/951928901.db2.gz OTDBLONDSIVFBE-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCCNC1=O ZINC001575108877 951928909 /nfs/dbraw/zinc/92/89/09/951928909.db2.gz OTDBLONDSIVFBE-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575110411 951939588 /nfs/dbraw/zinc/93/95/88/951939588.db2.gz ZYRSOLNSJXGCBH-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575110411 951939601 /nfs/dbraw/zinc/93/96/01/951939601.db2.gz ZYRSOLNSJXGCBH-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113388 951941694 /nfs/dbraw/zinc/94/16/94/951941694.db2.gz AKYRSGXRBOPAIR-LBPRGKRZSA-N 0 3 382.428 0.611 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113388 951941699 /nfs/dbraw/zinc/94/16/99/951941699.db2.gz AKYRSGXRBOPAIR-LBPRGKRZSA-N 0 3 382.428 0.611 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575113611 951943562 /nfs/dbraw/zinc/94/35/62/951943562.db2.gz CDMBNMAYEQETLJ-KBXCAEBGSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575113611 951943567 /nfs/dbraw/zinc/94/35/67/951943567.db2.gz CDMBNMAYEQETLJ-KBXCAEBGSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113900 951948513 /nfs/dbraw/zinc/94/85/13/951948513.db2.gz HVEOMDGJGILMEK-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113900 951948516 /nfs/dbraw/zinc/94/85/16/951948516.db2.gz HVEOMDGJGILMEK-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575114035 951950724 /nfs/dbraw/zinc/95/07/24/951950724.db2.gz KYRLKKSRJSNAQX-KRWDZBQOSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114552 951956283 /nfs/dbraw/zinc/95/62/83/951956283.db2.gz QDMSOQOCGAFVCJ-AWEZNQCLSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114552 951956286 /nfs/dbraw/zinc/95/62/86/951956286.db2.gz QDMSOQOCGAFVCJ-AWEZNQCLSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575144081 952161024 /nfs/dbraw/zinc/16/10/24/952161024.db2.gz FZABYRQZNWUSKP-SFHVURJKSA-N 0 3 381.444 0.667 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575185148 952429333 /nfs/dbraw/zinc/42/93/33/952429333.db2.gz LVRWGMTYINNYLB-TZMCWYRMSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575185148 952429337 /nfs/dbraw/zinc/42/93/37/952429337.db2.gz LVRWGMTYINNYLB-TZMCWYRMSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575186021 952436749 /nfs/dbraw/zinc/43/67/49/952436749.db2.gz XULICCWBKRZWNW-MRVWCRGKSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575186021 952436750 /nfs/dbraw/zinc/43/67/50/952436750.db2.gz XULICCWBKRZWNW-MRVWCRGKSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](Cc1ccco1)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575197222 952480975 /nfs/dbraw/zinc/48/09/75/952480975.db2.gz QJLZHGKPPPZDCA-ZFWWWQNUSA-N 0 3 384.440 0.905 20 0 GCADHN C[C@@H](Cc1ccco1)C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575197222 952480981 /nfs/dbraw/zinc/48/09/81/952480981.db2.gz QJLZHGKPPPZDCA-ZFWWWQNUSA-N 0 3 384.440 0.905 20 0 GCADHN Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1-c1nnn[n-]1 ZINC001571121728 952521908 /nfs/dbraw/zinc/52/19/08/952521908.db2.gz CIFMLMPMLDEYIO-UTUOFQBUSA-N 0 3 376.490 0.890 20 0 GCADHN Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1-c1nnn[n-]1 ZINC001571121728 952521911 /nfs/dbraw/zinc/52/19/11/952521911.db2.gz CIFMLMPMLDEYIO-UTUOFQBUSA-N 0 3 376.490 0.890 20 0 GCADHN O=C(CCc1ccncn1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571141485 952634156 /nfs/dbraw/zinc/63/41/56/952634156.db2.gz HHSRMAYPIIMHDY-MRXNPFEDSA-N 0 3 378.440 0.980 20 0 GCADHN O=C(CCc1ccncn1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571141485 952634160 /nfs/dbraw/zinc/63/41/60/952634160.db2.gz HHSRMAYPIIMHDY-MRXNPFEDSA-N 0 3 378.440 0.980 20 0 GCADHN CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC001571142749 952646312 /nfs/dbraw/zinc/64/63/12/952646312.db2.gz XLDSIGOOSXUOSR-WDEREUQCSA-N 0 3 378.458 0.749 20 0 GCADHN CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC001571142749 952646313 /nfs/dbraw/zinc/64/63/13/952646313.db2.gz XLDSIGOOSXUOSR-WDEREUQCSA-N 0 3 378.458 0.749 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1nccnc1N ZINC001571147602 952663468 /nfs/dbraw/zinc/66/34/68/952663468.db2.gz PBDIXUPIDAALOB-BXUZGUMPSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1nccnc1N ZINC001571147602 952663470 /nfs/dbraw/zinc/66/34/70/952663470.db2.gz PBDIXUPIDAALOB-BXUZGUMPSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571155137 952692832 /nfs/dbraw/zinc/69/28/32/952692832.db2.gz IVVXRGZMESSLJV-ABAIWWIYSA-N 0 3 380.412 0.200 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571155137 952692836 /nfs/dbraw/zinc/69/28/36/952692836.db2.gz IVVXRGZMESSLJV-ABAIWWIYSA-N 0 3 380.412 0.200 20 0 GCADHN Cc1nc[nH]c1CC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001571157963 952709262 /nfs/dbraw/zinc/70/92/62/952709262.db2.gz OSRPGARPLFZDTP-LAQFHYBYSA-N 0 3 379.428 0.395 20 0 GCADHN COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC001571159028 952716984 /nfs/dbraw/zinc/71/69/84/952716984.db2.gz PHPXOPCHVDJXOG-OKILXGFUSA-N 0 3 380.412 0.716 20 0 GCADHN COc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC001571159028 952716985 /nfs/dbraw/zinc/71/69/85/952716985.db2.gz PHPXOPCHVDJXOG-OKILXGFUSA-N 0 3 380.412 0.716 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)c1c[nH]c(=O)cn1 ZINC001571161412 952732070 /nfs/dbraw/zinc/73/20/70/952732070.db2.gz UZWIUOWJKJTCEC-MQMHXKEQSA-N 0 3 380.412 0.248 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)c1c[nH]c(=O)cn1 ZINC001571161412 952732073 /nfs/dbraw/zinc/73/20/73/952732073.db2.gz UZWIUOWJKJTCEC-MQMHXKEQSA-N 0 3 380.412 0.248 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)o1 ZINC001571171831 952797826 /nfs/dbraw/zinc/79/78/26/952797826.db2.gz XTYUOXPJJPCGOM-CYBMUJFWSA-N 0 3 381.396 0.563 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)o1 ZINC001571171831 952797833 /nfs/dbraw/zinc/79/78/33/952797833.db2.gz XTYUOXPJJPCGOM-CYBMUJFWSA-N 0 3 381.396 0.563 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001571183633 952880834 /nfs/dbraw/zinc/88/08/34/952880834.db2.gz GLXODAFHNSZUOZ-KGLIPLIRSA-N 0 3 381.444 0.792 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1cnn(C)n1 ZINC001571184009 952886695 /nfs/dbraw/zinc/88/66/95/952886695.db2.gz ONLBNHHPSMBUQJ-DOMZBBRYSA-N 0 3 381.444 0.778 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1cnn(C)n1 ZINC001571184009 952886697 /nfs/dbraw/zinc/88/66/97/952886697.db2.gz ONLBNHHPSMBUQJ-DOMZBBRYSA-N 0 3 381.444 0.778 20 0 GCADHN C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571184005 952887429 /nfs/dbraw/zinc/88/74/29/952887429.db2.gz OMLDSQFLPGOWHZ-BBRMVZONSA-N 0 3 381.444 0.343 20 0 GCADHN C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571184005 952887432 /nfs/dbraw/zinc/88/74/32/952887432.db2.gz OMLDSQFLPGOWHZ-BBRMVZONSA-N 0 3 381.444 0.343 20 0 GCADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571184288 952890431 /nfs/dbraw/zinc/89/04/31/952890431.db2.gz VMHLIYCCSQHRNE-OCCSQVGLSA-N 0 3 381.444 0.493 20 0 GCADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571184288 952890436 /nfs/dbraw/zinc/89/04/36/952890436.db2.gz VMHLIYCCSQHRNE-OCCSQVGLSA-N 0 3 381.444 0.493 20 0 GCADHN O=C(N[C@@H]1C[C@H]([NH2+]CCn2cccn2)C12CCC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571188645 952918032 /nfs/dbraw/zinc/91/80/32/952918032.db2.gz FQUAAIAPMNHBKK-LSDHHAIUSA-N 0 3 381.444 0.722 20 0 GCADHN O=C(N[C@@H]1C[C@H]([NH2+]CCn2cccn2)C12CCC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571188645 952918037 /nfs/dbraw/zinc/91/80/37/952918037.db2.gz FQUAAIAPMNHBKK-LSDHHAIUSA-N 0 3 381.444 0.722 20 0 GCADHN O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C12CCC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571188638 952918297 /nfs/dbraw/zinc/91/82/97/952918297.db2.gz FQUAAIAPMNHBKK-CABCVRRESA-N 0 3 381.444 0.722 20 0 GCADHN O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C12CCC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571188638 952918303 /nfs/dbraw/zinc/91/83/03/952918303.db2.gz FQUAAIAPMNHBKK-CABCVRRESA-N 0 3 381.444 0.722 20 0 GCADHN O=C(Cn1cncn1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571188722 952919095 /nfs/dbraw/zinc/91/90/95/952919095.db2.gz GPDFUHDIQIDUDK-HZPDHXFCSA-N 0 3 381.444 0.533 20 0 GCADHN O=C(Cn1cncn1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571188722 952919100 /nfs/dbraw/zinc/91/91/00/952919100.db2.gz GPDFUHDIQIDUDK-HZPDHXFCSA-N 0 3 381.444 0.533 20 0 GCADHN Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)cn1 ZINC001571189112 952924900 /nfs/dbraw/zinc/92/49/00/952924900.db2.gz SHLFAFARKILYTN-XHDPSFHLSA-N 0 3 381.444 0.934 20 0 GCADHN Cn1ncc(CCC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571189128 952924911 /nfs/dbraw/zinc/92/49/11/952924911.db2.gz MRUDROCUGSJJGD-OAHLLOKOSA-N 0 3 381.444 0.319 20 0 GCADHN Cn1ncc(CCC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571189128 952924917 /nfs/dbraw/zinc/92/49/17/952924917.db2.gz MRUDROCUGSJJGD-OAHLLOKOSA-N 0 3 381.444 0.319 20 0 GCADHN Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)cn1 ZINC001571189110 952924963 /nfs/dbraw/zinc/92/49/63/952924963.db2.gz SHLFAFARKILYTN-IAQYHMDHSA-N 0 3 381.444 0.934 20 0 GCADHN Cn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571189138 952925596 /nfs/dbraw/zinc/92/55/96/952925596.db2.gz NBCQXEBQJOTDFO-DZGCQCFKSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1nncc1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571189138 952925600 /nfs/dbraw/zinc/92/56/00/952925600.db2.gz NBCQXEBQJOTDFO-DZGCQCFKSA-N 0 3 381.444 0.684 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cccn1 ZINC001571189338 952928519 /nfs/dbraw/zinc/92/85/19/952928519.db2.gz PZWGYWFNJJKTML-CABCVRRESA-N 0 3 381.444 0.770 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1cccn1 ZINC001571189338 952928523 /nfs/dbraw/zinc/92/85/23/952928523.db2.gz PZWGYWFNJJKTML-CABCVRRESA-N 0 3 381.444 0.770 20 0 GCADHN O=C(N[C@@H]1CC12CC[NH+](CCn1cccn1)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571189409 952929167 /nfs/dbraw/zinc/92/91/67/952929167.db2.gz RBHQIDQKAZIQJN-OAHLLOKOSA-N 0 3 381.444 0.676 20 0 GCADHN O=C(N[C@@H]1CC12CC[NH+](CCn1cccn1)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571189409 952929173 /nfs/dbraw/zinc/92/91/73/952929173.db2.gz RBHQIDQKAZIQJN-OAHLLOKOSA-N 0 3 381.444 0.676 20 0 GCADHN Cn1ncc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001571189803 952935209 /nfs/dbraw/zinc/93/52/09/952935209.db2.gz VNRTZVCZTKRBNV-DZGCQCFKSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1ncc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001571189803 952935211 /nfs/dbraw/zinc/93/52/11/952935211.db2.gz VNRTZVCZTKRBNV-DZGCQCFKSA-N 0 3 381.444 0.684 20 0 GCADHN O=C(Cn1cncn1)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571189863 952935822 /nfs/dbraw/zinc/93/58/22/952935822.db2.gz XYWBHPSIARPKSI-HNNXBMFYSA-N 0 3 381.444 0.487 20 0 GCADHN O=C(Cn1cncn1)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571189863 952935827 /nfs/dbraw/zinc/93/58/27/952935827.db2.gz XYWBHPSIARPKSI-HNNXBMFYSA-N 0 3 381.444 0.487 20 0 GCADHN Cc1ncc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571189922 952937648 /nfs/dbraw/zinc/93/76/48/952937648.db2.gz ZHJBMQASDGHYLJ-RISCZKNCSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1ncc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571189922 952937653 /nfs/dbraw/zinc/93/76/53/952937653.db2.gz ZHJBMQASDGHYLJ-RISCZKNCSA-N 0 3 381.444 0.934 20 0 GCADHN COc1nn(C)cc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571198733 952992834 /nfs/dbraw/zinc/99/28/34/952992834.db2.gz FCBYCYSDZFZAND-ZDUSSCGKSA-N 0 3 382.428 0.613 20 0 GCADHN COc1nn(C)cc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571198733 952992838 /nfs/dbraw/zinc/99/28/38/952992838.db2.gz FCBYCYSDZFZAND-ZDUSSCGKSA-N 0 3 382.428 0.613 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571202091 953023133 /nfs/dbraw/zinc/02/31/33/953023133.db2.gz UZQWUJXYSKAJGH-SMDDNHRTSA-N 0 3 382.428 0.556 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571202091 953023135 /nfs/dbraw/zinc/02/31/35/953023135.db2.gz UZQWUJXYSKAJGH-SMDDNHRTSA-N 0 3 382.428 0.556 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1nnn(C)n1 ZINC001571205679 953041412 /nfs/dbraw/zinc/04/14/12/953041412.db2.gz MWRKJBCNPOKJIH-SMDDNHRTSA-N 0 3 382.432 0.173 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1nnn(C)n1 ZINC001571205679 953041417 /nfs/dbraw/zinc/04/14/17/953041417.db2.gz MWRKJBCNPOKJIH-SMDDNHRTSA-N 0 3 382.432 0.173 20 0 GCADHN Cc1nonc1CC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC001571205753 953042576 /nfs/dbraw/zinc/04/25/76/953042576.db2.gz LNMAOCDNXJBLOK-ABAIWWIYSA-N 0 3 382.428 0.880 20 0 GCADHN Cc1nonc1CC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC001571205754 953042879 /nfs/dbraw/zinc/04/28/79/953042879.db2.gz LNMAOCDNXJBLOK-IAQYHMDHSA-N 0 3 382.428 0.880 20 0 GCADHN C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571206806 953055755 /nfs/dbraw/zinc/05/57/55/953055755.db2.gz XMXMQHXNQUFESJ-SWLSCSKDSA-N 0 3 382.432 0.023 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001571211453 953076631 /nfs/dbraw/zinc/07/66/31/953076631.db2.gz BEEKGZCSRZKEAE-DGCLKSJQSA-N 0 3 382.432 0.784 20 0 GCADHN Cc1cc(N[C@@H]2CCN(C(=O)Cc3nnc[nH]3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212111 953083341 /nfs/dbraw/zinc/08/33/41/953083341.db2.gz IZIXCXNQJSNEBT-ZWNOBZJWSA-N 0 3 382.432 0.002 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001571212064 953084361 /nfs/dbraw/zinc/08/43/61/953084361.db2.gz IDKKFLDQQYSAMZ-IUODEOHRSA-N 0 3 382.472 0.925 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC001571212064 953084365 /nfs/dbraw/zinc/08/43/65/953084365.db2.gz IDKKFLDQQYSAMZ-IUODEOHRSA-N 0 3 382.472 0.925 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571214400 953102038 /nfs/dbraw/zinc/10/20/38/953102038.db2.gz YFNYJUQJQDONNH-KFZJALRRSA-N 0 3 382.472 0.829 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571214400 953102040 /nfs/dbraw/zinc/10/20/40/953102040.db2.gz YFNYJUQJQDONNH-KFZJALRRSA-N 0 3 382.472 0.829 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571214400 953102043 /nfs/dbraw/zinc/10/20/43/953102043.db2.gz YFNYJUQJQDONNH-KFZJALRRSA-N 0 3 382.472 0.829 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571214400 953102045 /nfs/dbraw/zinc/10/20/45/953102045.db2.gz YFNYJUQJQDONNH-KFZJALRRSA-N 0 3 382.472 0.829 20 0 GCADHN Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ccc1-c1nnn[n-]1 ZINC001571216860 953104892 /nfs/dbraw/zinc/10/48/92/953104892.db2.gz AYJTZSOTMGZQFY-IJEWVQPXSA-N 0 3 382.472 0.971 20 0 GCADHN Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ccc1-c1nn[n-]n1 ZINC001571216860 953104895 /nfs/dbraw/zinc/10/48/95/953104895.db2.gz AYJTZSOTMGZQFY-IJEWVQPXSA-N 0 3 382.472 0.971 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CC2(C1)CC[N@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001571222871 953139958 /nfs/dbraw/zinc/13/99/58/953139958.db2.gz MPCZUUGNIJYLTM-AWEZNQCLSA-N 0 3 383.412 0.009 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CC2(C1)CC[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001571222871 953139961 /nfs/dbraw/zinc/13/99/61/953139961.db2.gz MPCZUUGNIJYLTM-AWEZNQCLSA-N 0 3 383.412 0.009 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571230263 953175059 /nfs/dbraw/zinc/17/50/59/953175059.db2.gz BTGHNYVQNCQUPO-CVEARBPZSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571230263 953175061 /nfs/dbraw/zinc/17/50/61/953175061.db2.gz BTGHNYVQNCQUPO-CVEARBPZSA-N 0 3 383.456 0.568 20 0 GCADHN CC1(NC(=O)[C@H]2CCC(=O)N2)CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571230587 953178182 /nfs/dbraw/zinc/17/81/82/953178182.db2.gz GRFQFJALFQSUQF-OAHLLOKOSA-N 0 3 383.456 0.616 20 0 GCADHN CC1(NC(=O)[C@H]2CCC(=O)N2)CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571230587 953178183 /nfs/dbraw/zinc/17/81/83/953178183.db2.gz GRFQFJALFQSUQF-OAHLLOKOSA-N 0 3 383.456 0.616 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001571230901 953180994 /nfs/dbraw/zinc/18/09/94/953180994.db2.gz NCHUOFPLWDXEJG-OEYIWLLWSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001571230901 953180995 /nfs/dbraw/zinc/18/09/95/953180995.db2.gz NCHUOFPLWDXEJG-OEYIWLLWSA-N 0 3 383.456 0.518 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)[C@H]2C)C1 ZINC001571230927 953181033 /nfs/dbraw/zinc/18/10/33/953181033.db2.gz NOPQNDJUTGDWBK-PXAZEXFGSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)[C@H]2C)C1 ZINC001571230927 953181036 /nfs/dbraw/zinc/18/10/36/953181036.db2.gz NOPQNDJUTGDWBK-PXAZEXFGSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571231172 953183495 /nfs/dbraw/zinc/18/34/95/953183495.db2.gz UUROZBTXRDUVFJ-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571231280 953183894 /nfs/dbraw/zinc/18/38/94/953183894.db2.gz WFCQHFXWBXWWSK-GDBMZVCRSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571231280 953183896 /nfs/dbraw/zinc/18/38/96/953183896.db2.gz WFCQHFXWBXWWSK-GDBMZVCRSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CN1CCCC1=O ZINC001571231464 953184689 /nfs/dbraw/zinc/18/46/89/953184689.db2.gz XLFGUFOQFDDFPE-XJKSGUPXSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CN1CCCC1=O ZINC001571231464 953184691 /nfs/dbraw/zinc/18/46/91/953184691.db2.gz XLFGUFOQFDDFPE-XJKSGUPXSA-N 0 3 383.456 0.568 20 0 GCADHN O=C([C@H]1CCC(=O)NC1)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571232494 953187527 /nfs/dbraw/zinc/18/75/27/953187527.db2.gz GTIINDIUGBEAIB-HOCLYGCPSA-N 0 3 383.456 0.331 20 0 GCADHN O=C([C@H]1CCC(=O)NC1)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571232494 953187530 /nfs/dbraw/zinc/18/75/30/953187530.db2.gz GTIINDIUGBEAIB-HOCLYGCPSA-N 0 3 383.456 0.331 20 0 GCADHN O=C(CN1CCCC1=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571233492 953193011 /nfs/dbraw/zinc/19/30/11/953193011.db2.gz WLCNBLWBWGAWAU-OAHLLOKOSA-N 0 3 383.456 0.570 20 0 GCADHN O=C(CN1CCCC1=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571233492 953193013 /nfs/dbraw/zinc/19/30/13/953193013.db2.gz WLCNBLWBWGAWAU-OAHLLOKOSA-N 0 3 383.456 0.570 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571233451 953193443 /nfs/dbraw/zinc/19/34/43/953193443.db2.gz VOALBXADGKNNAU-KCQAQPDRSA-N 0 3 383.460 0.319 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571233451 953193446 /nfs/dbraw/zinc/19/34/46/953193446.db2.gz VOALBXADGKNNAU-KCQAQPDRSA-N 0 3 383.460 0.319 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001571233615 953194595 /nfs/dbraw/zinc/19/45/95/953194595.db2.gz YLFFGWMSFPMQQP-TZMCWYRMSA-N 0 3 383.460 0.816 20 0 GCADHN Cc1nn(C)cc1CN1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571234036 953198052 /nfs/dbraw/zinc/19/80/52/953198052.db2.gz LEXBLIWHFGUMPX-ZDUSSCGKSA-N 0 3 383.460 0.879 20 0 GCADHN Cc1nn(C)cc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571234134 953198848 /nfs/dbraw/zinc/19/88/48/953198848.db2.gz NXHNEWMONJNTLK-YPMHNXCESA-N 0 3 383.460 0.877 20 0 GCADHN Cc1nn(C)cc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571234134 953198850 /nfs/dbraw/zinc/19/88/50/953198850.db2.gz NXHNEWMONJNTLK-YPMHNXCESA-N 0 3 383.460 0.877 20 0 GCADHN Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571234133 953199212 /nfs/dbraw/zinc/19/92/12/953199212.db2.gz NXHNEWMONJNTLK-WCQYABFASA-N 0 3 383.460 0.877 20 0 GCADHN Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571234133 953199213 /nfs/dbraw/zinc/19/92/13/953199213.db2.gz NXHNEWMONJNTLK-WCQYABFASA-N 0 3 383.460 0.877 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571234357 953201493 /nfs/dbraw/zinc/20/14/93/953201493.db2.gz VECKBPZIQQHVDH-KDOFPFPSSA-N 0 3 383.460 0.180 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571234357 953201496 /nfs/dbraw/zinc/20/14/96/953201496.db2.gz VECKBPZIQQHVDH-KDOFPFPSSA-N 0 3 383.460 0.180 20 0 GCADHN O=C(c1cn[nH]c(=O)c1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571236164 953216930 /nfs/dbraw/zinc/21/69/30/953216930.db2.gz STCTZLAQCNJFKS-LBPRGKRZSA-N 0 3 384.375 0.506 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571239064 953235622 /nfs/dbraw/zinc/23/56/22/953235622.db2.gz FSFPEXSXHSWFHK-IAQYHMDHSA-N 0 3 384.419 0.990 20 0 GCADHN Cn1nccc1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571241603 953247779 /nfs/dbraw/zinc/24/77/79/953247779.db2.gz GATMDGJWSKOTJM-CYBMUJFWSA-N 0 3 384.419 0.991 20 0 GCADHN Cn1nccc1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571241603 953247781 /nfs/dbraw/zinc/24/77/81/953247781.db2.gz GATMDGJWSKOTJM-CYBMUJFWSA-N 0 3 384.419 0.991 20 0 GCADHN O=C(N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@]12C[C@H]1COC2 ZINC001571241744 953249825 /nfs/dbraw/zinc/24/98/25/953249825.db2.gz KNTCRJGJBDGSNX-BXWFABGCSA-N 0 3 384.440 0.220 20 0 GCADHN O=C(C[C@H]1COC(=O)C1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571241833 953250210 /nfs/dbraw/zinc/25/02/10/953250210.db2.gz MMRGSLAKPANZHJ-GDBMZVCRSA-N 0 3 384.440 0.901 20 0 GCADHN O=C(C[C@H]1COC(=O)C1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571241833 953250212 /nfs/dbraw/zinc/25/02/12/953250212.db2.gz MMRGSLAKPANZHJ-GDBMZVCRSA-N 0 3 384.440 0.901 20 0 GCADHN O=C(Cc1c[nH]cn1)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571241849 953250744 /nfs/dbraw/zinc/25/07/44/953250744.db2.gz NCTRYASXFVVMFA-UHFFFAOYSA-N 0 3 384.419 0.956 20 0 GCADHN O=C(Cc1c[nH]cn1)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571241849 953250747 /nfs/dbraw/zinc/25/07/47/953250747.db2.gz NCTRYASXFVVMFA-UHFFFAOYSA-N 0 3 384.419 0.956 20 0 GCADHN Cn1cc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)cn1 ZINC001571242207 953253740 /nfs/dbraw/zinc/25/37/40/953253740.db2.gz WPGFSJKVPRYQCR-GASCZTMLSA-N 0 3 384.419 0.719 20 0 GCADHN Cn1cc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)cn1 ZINC001571242207 953253741 /nfs/dbraw/zinc/25/37/41/953253741.db2.gz WPGFSJKVPRYQCR-GASCZTMLSA-N 0 3 384.419 0.719 20 0 GCADHN COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571242254 953254827 /nfs/dbraw/zinc/25/48/27/953254827.db2.gz XXRCVFNKISRPRB-TUUVXOQKSA-N 0 3 384.440 0.660 20 0 GCADHN COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571242254 953254830 /nfs/dbraw/zinc/25/48/30/953254830.db2.gz XXRCVFNKISRPRB-TUUVXOQKSA-N 0 3 384.440 0.660 20 0 GCADHN CC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001571242387 953256064 /nfs/dbraw/zinc/25/60/64/953256064.db2.gz FFMKOBWQQDMEHK-CQSZACIVSA-N 0 3 384.444 0.019 20 0 GCADHN CC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001571242387 953256066 /nfs/dbraw/zinc/25/60/66/953256066.db2.gz FFMKOBWQQDMEHK-CQSZACIVSA-N 0 3 384.444 0.019 20 0 GCADHN CN1CC[C@@H]([NH2+]C2CC3(CC(NC(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)C1=O ZINC001571242903 953261273 /nfs/dbraw/zinc/26/12/73/953261273.db2.gz QTVJJFXYEXIBNV-GIKSNMOYSA-N 0 3 384.444 0.056 20 0 GCADHN CC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC001571245019 953269033 /nfs/dbraw/zinc/26/90/33/953269033.db2.gz CNOBINMMFLOCGT-FZMZJTMJSA-N 0 3 384.448 0.354 20 0 GCADHN CC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@@H]1[NH2+]Cc1cnnn1C ZINC001571245019 953269035 /nfs/dbraw/zinc/26/90/35/953269035.db2.gz CNOBINMMFLOCGT-FZMZJTMJSA-N 0 3 384.448 0.354 20 0 GCADHN CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571245291 953272511 /nfs/dbraw/zinc/27/25/11/953272511.db2.gz FZSMHTCMULTQFH-WCQYABFASA-N 0 3 384.448 0.495 20 0 GCADHN CCn1nncc1C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571245291 953272514 /nfs/dbraw/zinc/27/25/14/953272514.db2.gz FZSMHTCMULTQFH-WCQYABFASA-N 0 3 384.448 0.495 20 0 GCADHN CCn1nncc1C[NH2+]C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571245983 953278246 /nfs/dbraw/zinc/27/82/46/953278246.db2.gz PWRRDZNDUMWXLC-GFCCVEGCSA-N 0 3 384.448 0.448 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)[C@H](c2cnn(C)c2)C1 ZINC001571246023 953279615 /nfs/dbraw/zinc/27/96/15/953279615.db2.gz QZWGHCJZAVKERA-JSGCOSHPSA-N 0 3 384.448 0.776 20 0 GCADHN CC(C)[N@H+]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)[C@H](c2cnn(C)c2)C1 ZINC001571246023 953279618 /nfs/dbraw/zinc/27/96/18/953279618.db2.gz QZWGHCJZAVKERA-JSGCOSHPSA-N 0 3 384.448 0.776 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1CNCc1cn(C)nn1 ZINC001571246134 953279922 /nfs/dbraw/zinc/27/99/22/953279922.db2.gz UVYOBUGDPDMLCQ-NEPJUHHUSA-N 0 3 384.448 0.211 20 0 GCADHN O=C(Cc1cnc[nH]1)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001571247701 953285418 /nfs/dbraw/zinc/28/54/18/953285418.db2.gz CIIASWGZXBTJKM-UHFFFAOYSA-N 0 3 384.469 0.928 20 0 GCADHN O=C(Cc1cnc[nH]1)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001571247701 953285421 /nfs/dbraw/zinc/28/54/21/953285421.db2.gz CIIASWGZXBTJKM-UHFFFAOYSA-N 0 3 384.469 0.928 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001571248808 953297771 /nfs/dbraw/zinc/29/77/71/953297771.db2.gz JBIGHMLAFZEGNH-NILFDRSVSA-N 0 3 384.444 0.010 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001571248808 953297774 /nfs/dbraw/zinc/29/77/74/953297774.db2.gz JBIGHMLAFZEGNH-NILFDRSVSA-N 0 3 384.444 0.010 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001571248808 953297778 /nfs/dbraw/zinc/29/77/78/953297778.db2.gz JBIGHMLAFZEGNH-NILFDRSVSA-N 0 3 384.444 0.010 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001571248808 953297781 /nfs/dbraw/zinc/29/77/81/953297781.db2.gz JBIGHMLAFZEGNH-NILFDRSVSA-N 0 3 384.444 0.010 20 0 GCADHN O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C12CCC[NH+]1CCC2 ZINC001571251780 953319385 /nfs/dbraw/zinc/31/93/85/953319385.db2.gz WWIGASMZBCWIND-ZDUSSCGKSA-N 0 3 384.444 0.154 20 0 GCADHN O=C(NC1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)[C@@H]1CNC(=O)N1 ZINC001571252216 953325543 /nfs/dbraw/zinc/32/55/43/953325543.db2.gz ZCHINCKVMVOBKE-PIMMBPRGSA-N 0 3 384.444 0.065 20 0 GCADHN O=C(NC1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)[C@@H]1CNC(=O)N1 ZINC001571252216 953325546 /nfs/dbraw/zinc/32/55/46/953325546.db2.gz ZCHINCKVMVOBKE-PIMMBPRGSA-N 0 3 384.444 0.065 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)CC[N@@H+]1C ZINC001571252749 953333223 /nfs/dbraw/zinc/33/32/23/953333223.db2.gz VQQFZBRBMUSDSI-IJEWVQPXSA-N 0 3 384.488 0.995 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)CC[N@H+]1C ZINC001571252749 953333226 /nfs/dbraw/zinc/33/32/26/953333226.db2.gz VQQFZBRBMUSDSI-IJEWVQPXSA-N 0 3 384.488 0.995 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)CC[N@@H+]1C ZINC001571252749 953333229 /nfs/dbraw/zinc/33/32/29/953333229.db2.gz VQQFZBRBMUSDSI-IJEWVQPXSA-N 0 3 384.488 0.995 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)CC[N@H+]1C ZINC001571252749 953333232 /nfs/dbraw/zinc/33/32/32/953333232.db2.gz VQQFZBRBMUSDSI-IJEWVQPXSA-N 0 3 384.488 0.995 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571252737 953333291 /nfs/dbraw/zinc/33/32/91/953333291.db2.gz VIZAPFRVDXPLMD-HUUCEWRRSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571252737 953333294 /nfs/dbraw/zinc/33/32/94/953333294.db2.gz VIZAPFRVDXPLMD-HUUCEWRRSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571252737 953333298 /nfs/dbraw/zinc/33/32/98/953333298.db2.gz VIZAPFRVDXPLMD-HUUCEWRRSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571252737 953333302 /nfs/dbraw/zinc/33/33/02/953333302.db2.gz VIZAPFRVDXPLMD-HUUCEWRRSA-N 0 3 384.488 0.949 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CN1C(=O)c1cn(C)nn1 ZINC001571255223 953347353 /nfs/dbraw/zinc/34/73/53/953347353.db2.gz MVJJAZKDAIPWKF-PWSUYJOCSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CN1C(=O)c1cn(C)nn1 ZINC001571255223 953347357 /nfs/dbraw/zinc/34/73/57/953347357.db2.gz MVJJAZKDAIPWKF-PWSUYJOCSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1ncn(C)n1 ZINC001571255430 953348830 /nfs/dbraw/zinc/34/88/30/953348830.db2.gz PGFMUNVQAYMQMH-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1ncn(C)n1 ZINC001571255430 953348833 /nfs/dbraw/zinc/34/88/33/953348833.db2.gz PGFMUNVQAYMQMH-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN CC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571255608 953351662 /nfs/dbraw/zinc/35/16/62/953351662.db2.gz QSZKTOWFRRBHMH-UHFFFAOYSA-N 0 3 385.407 0.908 20 0 GCADHN CC1([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571255608 953351665 /nfs/dbraw/zinc/35/16/65/953351665.db2.gz QSZKTOWFRRBHMH-UHFFFAOYSA-N 0 3 385.407 0.908 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cn[nH]n1 ZINC001571255716 953353466 /nfs/dbraw/zinc/35/34/66/953353466.db2.gz SNRBVSHCZQQTCV-PWSUYJOCSA-N 0 3 385.407 0.907 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)CC2)CC1 ZINC001573883641 961295689 /nfs/dbraw/zinc/29/56/89/961295689.db2.gz JAHKOOGRCXFDAB-JXFKEZNVSA-N 0 3 379.501 0.742 20 0 GCADHN Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC000910180170 981776692 /nfs/dbraw/zinc/77/66/92/981776692.db2.gz SSTGQCOFDCXZMT-CVEARBPZSA-N 0 3 377.489 0.463 20 0 GCADHN Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC000910180170 981776697 /nfs/dbraw/zinc/77/66/97/981776697.db2.gz SSTGQCOFDCXZMT-CVEARBPZSA-N 0 3 377.489 0.463 20 0 GCADHN COc1ccc(CN2CC[C@@H]([NH2+]C3CCN(CC(=O)[O-])CC3)C2=O)c(OC)c1 ZINC001119539726 982985031 /nfs/dbraw/zinc/98/50/31/982985031.db2.gz WRKROTKKZUNDGN-QGZVFWFLSA-N 0 3 391.468 0.943 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C(=O)[O-])[C@H](C(=O)OC)C3)CC2)CC1 ZINC001596407193 983975936 /nfs/dbraw/zinc/97/59/36/983975936.db2.gz APOLVPHLMIGDJT-DLBZAZTESA-N 0 3 395.500 0.515 20 0 GCADHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001599835377 988733799 /nfs/dbraw/zinc/73/37/99/988733799.db2.gz CMMYOSOWNRVCPU-AWEZNQCLSA-N 0 3 395.508 0.595 20 0 GCADHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001599835377 988733803 /nfs/dbraw/zinc/73/38/03/988733803.db2.gz CMMYOSOWNRVCPU-AWEZNQCLSA-N 0 3 395.508 0.595 20 0 GCADHN CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001598225596 990916858 /nfs/dbraw/zinc/91/68/58/990916858.db2.gz NMMVKGRLYVZASL-UHFFFAOYSA-N 0 3 384.864 0.929 20 0 GCADHN CN1CCC([NH+]2CCC(NC(=O)N3CCN(C)C[C@H](C(=O)[O-])C3)CC2)CC1 ZINC001598585865 993381707 /nfs/dbraw/zinc/38/17/07/993381707.db2.gz OBGYFJTZEXJXLC-HNNXBMFYSA-N 0 3 381.521 0.203 20 0 GCADHN COC(=O)[C@]12CN(CCC[N@@H+]3C[C@H]4COCC[C@@]4(C(=O)[O-])C3)C[C@H]1COCC2 ZINC001598902122 997192234 /nfs/dbraw/zinc/19/22/34/997192234.db2.gz ZLLRGAUURVYYDR-XAMWDVODSA-N 0 3 396.484 0.311 20 0 GCADHN COC(=O)[C@]12CN(CCC[N@H+]3C[C@H]4COCC[C@@]4(C(=O)[O-])C3)C[C@H]1COCC2 ZINC001598902122 997192243 /nfs/dbraw/zinc/19/22/43/997192243.db2.gz ZLLRGAUURVYYDR-XAMWDVODSA-N 0 3 396.484 0.311 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000264175849 530153064 /nfs/dbraw/zinc/15/30/64/530153064.db2.gz LNNRFIHYOJSDTR-UHFFFAOYSA-N 0 3 377.532 0.490 20 0 GCADHN COCCN(CCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000264234775 530154232 /nfs/dbraw/zinc/15/42/32/530154232.db2.gz YTSUZTKTNUPHAI-UHFFFAOYSA-N 0 3 375.466 0.531 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2sccc2Br)[C@@H](CN)C1 ZINC000642712303 530154888 /nfs/dbraw/zinc/15/48/88/530154888.db2.gz OMTQINLFXZIFTN-VIFPVBQESA-N 0 3 375.292 0.228 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000571374528 530117618 /nfs/dbraw/zinc/11/76/18/530117618.db2.gz KWALFDQXDCYUIS-JTQLQIEISA-N 0 3 389.396 0.500 20 0 GCADHN C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000571420701 530119466 /nfs/dbraw/zinc/11/94/66/530119466.db2.gz ZIYBADOJWKEUTB-WFASDCNBSA-N 0 3 397.317 0.598 20 0 GCADHN Cc1ccc(Br)cc1NC(=O)CCNC(=O)C(=O)NC1CNC1 ZINC000571423116 530119695 /nfs/dbraw/zinc/11/96/95/530119695.db2.gz VYTMVAZFCMUXIM-UHFFFAOYSA-N 0 3 383.246 0.290 20 0 GCADHN C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000571420698 530119905 /nfs/dbraw/zinc/11/99/05/530119905.db2.gz ZIYBADOJWKEUTB-DOMZBBRYSA-N 0 3 397.317 0.598 20 0 GCADHN COCCN(CCN(C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000264367370 530156588 /nfs/dbraw/zinc/15/65/88/530156588.db2.gz CTOURGRFUPYVNR-AWEZNQCLSA-N 0 3 389.543 0.938 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000408470117 530126973 /nfs/dbraw/zinc/12/69/73/530126973.db2.gz VFVHIOMOQBWBOK-ZIAGYGMSSA-N 0 3 375.539 0.335 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000408470111 530127365 /nfs/dbraw/zinc/12/73/65/530127365.db2.gz VFVHIOMOQBWBOK-KBPBESRZSA-N 0 3 375.539 0.335 20 0 GCADHN [NH3+][C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@H]1c1ccccc1 ZINC000261683477 530129172 /nfs/dbraw/zinc/12/91/72/530129172.db2.gz IMKZSWZSSIKAHH-WCQYABFASA-N 0 3 393.241 0.665 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000262096965 530131984 /nfs/dbraw/zinc/13/19/84/530131984.db2.gz BXBIJFOCURRFLY-LLVKDONJSA-N 0 3 377.488 0.569 20 0 GCADHN Cn1cc(Br)c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000645252725 530135566 /nfs/dbraw/zinc/13/55/66/530135566.db2.gz CVDZPTFWIXPRRO-GFCCVEGCSA-N 0 3 384.278 0.737 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000647825193 530136369 /nfs/dbraw/zinc/13/63/69/530136369.db2.gz LRAWZQBCAHWBSL-CYBMUJFWSA-N 0 3 386.543 0.121 20 0 GCADHN CC[C@H](NC[C@@H](O)Cn1ccnn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414171845 530140423 /nfs/dbraw/zinc/14/04/23/530140423.db2.gz DDMZDXHYAGNGDA-OCCSQVGLSA-N 0 3 387.893 0.941 20 0 GCADHN CCC(C)(C)NC(=O)[C@H](C)S(=O)(=O)C(C)C(=O)NCC(=O)OC(C)C ZINC000414227949 530140770 /nfs/dbraw/zinc/14/07/70/530140770.db2.gz PSOSSMSGDUFNLH-RYUDHWBXSA-N 0 3 378.491 0.551 20 0 GCADHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)[C@@H](C)C(=O)NCC(=O)OC(C)C ZINC000414227949 530140771 /nfs/dbraw/zinc/14/07/71/530140771.db2.gz PSOSSMSGDUFNLH-RYUDHWBXSA-N 0 3 378.491 0.551 20 0 GCADHN COCCN(C)CCNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000263791597 530146423 /nfs/dbraw/zinc/14/64/23/530146423.db2.gz QXGGTPSNKLTRJL-UHFFFAOYSA-N 0 3 375.466 0.579 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)c1 ZINC000046036545 530148250 /nfs/dbraw/zinc/14/82/50/530148250.db2.gz OLLPMYLIAOXHBB-JKSUJKDBSA-N 0 3 387.527 0.842 20 0 GCADHN CC(C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000264051214 530150877 /nfs/dbraw/zinc/15/08/77/530150877.db2.gz YHATWMJSGWGGTM-GFCCVEGCSA-N 0 3 387.889 0.538 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1 ZINC000264114358 530152180 /nfs/dbraw/zinc/15/21/80/530152180.db2.gz JNKMXZXYYNCQRX-UHFFFAOYSA-N 0 3 375.516 0.557 20 0 GCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000647889217 530188448 /nfs/dbraw/zinc/18/84/48/530188448.db2.gz YTKZGWOSAHNLAS-JQWIXIFHSA-N 0 3 375.878 0.917 20 0 GCADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000647889218 530188566 /nfs/dbraw/zinc/18/85/66/530188566.db2.gz YTKZGWOSAHNLAS-PWSUYJOCSA-N 0 3 375.878 0.917 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cc(Br)ccc3F)CCN2C1=O ZINC000565608055 530189115 /nfs/dbraw/zinc/18/91/15/530189115.db2.gz CJEHMYWKEIVFDI-GXSJLCMTSA-N 0 3 392.250 0.521 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2occc2Br)CC1=O ZINC000556926305 530190302 /nfs/dbraw/zinc/19/03/02/530190302.db2.gz CDMKUPLDTDRGMV-LLVKDONJSA-N 0 3 388.262 0.951 20 0 GCADHN CN(C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)[C@H]1CCCN(C)C1 ZINC000265962583 530193136 /nfs/dbraw/zinc/19/31/36/530193136.db2.gz HGYKUASZQCCBHA-ZDUSSCGKSA-N 0 3 386.543 0.918 20 0 GCADHN O=C1NC(=O)[C@@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]12 ZINC000625459300 530207164 /nfs/dbraw/zinc/20/71/64/530207164.db2.gz GLPGGLJKUSXOCJ-NTZNESFSSA-N 0 3 378.226 0.907 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCN(C)CCCOC)c1 ZINC000266158998 530195721 /nfs/dbraw/zinc/19/57/21/530195721.db2.gz OCBCAMJHCUBORV-UHFFFAOYSA-N 0 3 377.894 0.946 20 0 GCADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCN(C)CCCOC)c1 ZINC000266144213 530195749 /nfs/dbraw/zinc/19/57/49/530195749.db2.gz HTEMVAHCNUDZHU-UHFFFAOYSA-N 0 3 375.466 0.822 20 0 GCADHN COCCN1CC[C@@H](NC(=O)c2cc(Br)ccc2-n2cnnn2)C1 ZINC000668435365 530196046 /nfs/dbraw/zinc/19/60/46/530196046.db2.gz DUFLGQJQIUPJLQ-GFCCVEGCSA-N 0 3 395.261 0.875 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)S(C)(=O)=O ZINC000048015574 530196787 /nfs/dbraw/zinc/19/67/87/530196787.db2.gz OUIMKCMMOHZJIC-SNVBAGLBSA-N 0 3 396.437 0.231 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)S(C)(=O)=O ZINC000048015572 530197070 /nfs/dbraw/zinc/19/70/70/530197070.db2.gz OUIMKCMMOHZJIC-JTQLQIEISA-N 0 3 396.437 0.231 20 0 GCADHN Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)C(C)S(C)(=O)=O ZINC000557718103 530199167 /nfs/dbraw/zinc/19/91/67/530199167.db2.gz WKTCZHBKKVZKTK-JTQLQIEISA-N 0 3 382.891 0.476 20 0 GCADHN CN1CCC(O)(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000266692643 530203259 /nfs/dbraw/zinc/20/32/59/530203259.db2.gz CKTKFXOXAUYIAO-UHFFFAOYSA-N 0 3 387.527 0.719 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000530835172 530163255 /nfs/dbraw/zinc/16/32/55/530163255.db2.gz DDWDNUOBQQPVBJ-AWEZNQCLSA-N 0 3 389.543 0.986 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000530859080 530165262 /nfs/dbraw/zinc/16/52/62/530165262.db2.gz KUNDMYYPIAALPS-UHFFFAOYSA-N 0 3 389.543 0.944 20 0 GCADHN CN(C)CCn1ccc(NC(=O)C(=O)NCCn2cc(Br)cn2)n1 ZINC000508240146 530169905 /nfs/dbraw/zinc/16/99/05/530169905.db2.gz GDFKCXCTBQJDSO-UHFFFAOYSA-N 0 3 398.265 0.159 20 0 GCADHN [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000647088029 530169900 /nfs/dbraw/zinc/16/99/00/530169900.db2.gz BQNOXXZXKCAPQV-XJKSGUPXSA-N 0 3 387.527 0.771 20 0 GCADHN CC1(C)CN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCN1 ZINC000648148818 530170194 /nfs/dbraw/zinc/17/01/94/530170194.db2.gz QJCGSKPSFPAGGX-UHFFFAOYSA-N 0 3 390.303 0.938 20 0 GCADHN COc1ccc(Br)c(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000584043283 530171248 /nfs/dbraw/zinc/17/12/48/530171248.db2.gz VJWHRVVCDRTVNM-GFCCVEGCSA-N 0 3 399.289 0.175 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000584057151 530171449 /nfs/dbraw/zinc/17/14/49/530171449.db2.gz SNOOSMOVSGFXFL-BBRMVZONSA-N 0 3 388.559 0.985 20 0 GCADHN CCN(CC)CCN(C(=O)[C@@H]1CNCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000648149268 530171562 /nfs/dbraw/zinc/17/15/62/530171562.db2.gz FRULSIUTORGJMK-KGLIPLIRSA-N 0 3 381.489 0.589 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000539026231 530176013 /nfs/dbraw/zinc/17/60/13/530176013.db2.gz HZUXZOCCIYHCGS-UPJWGTAASA-N 0 3 383.605 0.551 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CC[C@H](O)C2)c1 ZINC000265171805 530176740 /nfs/dbraw/zinc/17/67/40/530176740.db2.gz DXJJBEBUOLEJCS-NSHDSACASA-N 0 3 375.878 0.986 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC000533753625 530176936 /nfs/dbraw/zinc/17/69/36/530176936.db2.gz JYXCQJQSAMRVBT-UHFFFAOYSA-N 0 3 375.535 1.000 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000265254651 530177907 /nfs/dbraw/zinc/17/79/07/530177907.db2.gz PFIVKGNVBBHTED-HNNXBMFYSA-N 0 3 387.527 0.941 20 0 GCADHN COCCCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000556409964 530182603 /nfs/dbraw/zinc/18/26/03/530182603.db2.gz NMHJCSSRLDVKBN-LBPRGKRZSA-N 0 3 377.484 0.546 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000046762725 530185075 /nfs/dbraw/zinc/18/50/75/530185075.db2.gz QXDVEINWENXTHT-NSHDSACASA-N 0 3 394.902 0.606 20 0 GCADHN O=C(CNS(=O)(=O)c1cccs1)N1CCN(CC2CCOCC2)CC1 ZINC000265537897 530185455 /nfs/dbraw/zinc/18/54/55/530185455.db2.gz OJQNCMAPHJYLPQ-UHFFFAOYSA-N 0 3 387.527 0.597 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)NCCCN2CCC(O)CC2)s1 ZINC000265603351 530186320 /nfs/dbraw/zinc/18/63/20/530186320.db2.gz MTIPAEJEYDLOBM-UHFFFAOYSA-N 0 3 389.543 0.416 20 0 GCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000647888620 530187603 /nfs/dbraw/zinc/18/76/03/530187603.db2.gz KPGWERZVVILUKW-SWLSCSKDSA-N 0 3 375.516 0.650 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000268141777 530222329 /nfs/dbraw/zinc/22/23/29/530222329.db2.gz IEOAGBVXHZZFNT-CQSZACIVSA-N 0 3 375.516 0.321 20 0 GCADHN CC[C@H](C)N(C)CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268158657 530222356 /nfs/dbraw/zinc/22/23/56/530222356.db2.gz MXJXYBUOZXQLGK-AWEZNQCLSA-N 0 3 377.532 0.615 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000559161555 530223870 /nfs/dbraw/zinc/22/38/70/530223870.db2.gz VGBJVNBCNLZQKR-VHSXEESVSA-N 0 3 379.422 0.778 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000268771988 530232231 /nfs/dbraw/zinc/23/22/31/530232231.db2.gz FIWOLOYMHDQWMG-CZUORRHYSA-N 0 3 387.527 0.700 20 0 GCADHN CC(C(=O)NC[C@@H](O)COc1ccccc1Br)S(C)(=O)=O ZINC000268936333 530234070 /nfs/dbraw/zinc/23/40/70/530234070.db2.gz YVLXYROGRMHVEF-NXEZZACHSA-N 0 3 380.260 0.738 20 0 GCADHN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@H](N)CCSC)c1 ZINC000269042143 530234814 /nfs/dbraw/zinc/23/48/14/530234814.db2.gz JFLIZXBEVFHZAR-GFCCVEGCSA-N 0 3 375.472 0.157 20 0 GCADHN CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000269070320 530234829 /nfs/dbraw/zinc/23/48/29/530234829.db2.gz ZVUXKGWMMHCLKK-JSGCOSHPSA-N 0 3 375.516 0.669 20 0 GCADHN [NH3+][C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]3CCCO3)c2)C1 ZINC000269163116 530236009 /nfs/dbraw/zinc/23/60/09/530236009.db2.gz NWLUMVQLXDOZEK-STQMWFEESA-N 0 3 387.889 0.971 20 0 GCADHN O=C(C[C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000269190127 530236248 /nfs/dbraw/zinc/23/62/48/530236248.db2.gz LKPDBWVRWQTCJL-CYBMUJFWSA-N 0 3 387.889 0.551 20 0 GCADHN CN1CCC[C@H](CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000518668239 530237487 /nfs/dbraw/zinc/23/74/87/530237487.db2.gz WUIUSLDWADXVSG-CQSZACIVSA-N 0 3 387.527 0.847 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCCN(C)S(=O)(=O)c2cccs2)C1 ZINC000269356289 530239189 /nfs/dbraw/zinc/23/91/89/530239189.db2.gz MNWJJRNDZHLTQB-CYBMUJFWSA-N 0 3 390.531 0.389 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NCCNS(=O)(=O)c2cccs2)CCSC1 ZINC000269523176 530242347 /nfs/dbraw/zinc/24/23/47/530242347.db2.gz WHUFEGHMZNKBHC-CQSZACIVSA-N 0 3 392.572 0.763 20 0 GCADHN CN(C)CCOC1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000525601251 530244604 /nfs/dbraw/zinc/24/46/04/530244604.db2.gz XNZKOYMBJGUVDN-UHFFFAOYSA-N 0 3 391.515 0.065 20 0 GCADHN CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269665242 530244630 /nfs/dbraw/zinc/24/46/30/530244630.db2.gz YQQOTWTVMKCBBV-OAHLLOKOSA-N 0 3 389.543 0.936 20 0 GCADHN COCCC[N@H+](C)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000525604065 530244739 /nfs/dbraw/zinc/24/47/39/530244739.db2.gz VPJPYYWKBLUBAI-UHFFFAOYSA-N 0 3 383.923 0.764 20 0 GCADHN COCCC[N@@H+](C)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000525604065 530244740 /nfs/dbraw/zinc/24/47/40/530244740.db2.gz VPJPYYWKBLUBAI-UHFFFAOYSA-N 0 3 383.923 0.764 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccs1)NCCCN1CCC(O)CC1 ZINC000605543093 530245363 /nfs/dbraw/zinc/24/53/63/530245363.db2.gz QRAYMYIXXJZRLE-UHFFFAOYSA-N 0 3 375.516 0.380 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc(S(N)(=O)=O)s2)C[C@@H](C)O1 ZINC000531013845 530245939 /nfs/dbraw/zinc/24/59/39/530245939.db2.gz RLTOGGJBDRYZCC-CHWSQXEVSA-N 0 3 389.543 0.944 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000647234494 530247992 /nfs/dbraw/zinc/24/79/92/530247992.db2.gz SAHALJSYKJRLNX-HZMBPMFUSA-N 0 3 395.478 0.324 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000269769206 530248418 /nfs/dbraw/zinc/24/84/18/530248418.db2.gz KLJITKNUBDHNCK-LBPRGKRZSA-N 0 3 375.926 0.869 20 0 GCADHN Cn1nc(Br)c2c1ncn(CC(=O)N1CCCN(C)CC1)c2=O ZINC000103247640 530248879 /nfs/dbraw/zinc/24/88/79/530248879.db2.gz DJDLXNPZUYFALJ-UHFFFAOYSA-N 0 3 383.250 0.057 20 0 GCADHN CC(C(=O)N[C@@](C)(C(=O)N(C)C)C(F)(F)F)S(=O)(=O)C1CCOCC1 ZINC000622898188 530250283 /nfs/dbraw/zinc/25/02/83/530250283.db2.gz IDCCLMXVZVUMTO-RNCFNFMXSA-N 0 3 388.408 0.494 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1nc2ncc(Br)cn2n1 ZINC000558409063 530209458 /nfs/dbraw/zinc/20/94/58/530209458.db2.gz JMPLXOKITZRVEK-AWEZNQCLSA-N 0 3 381.234 0.073 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000267193410 530210279 /nfs/dbraw/zinc/21/02/79/530210279.db2.gz CTUILCHELSUDNT-SMDDNHRTSA-N 0 3 377.557 0.968 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1(SC)CCN(C)CC1 ZINC000558554670 530211490 /nfs/dbraw/zinc/21/14/90/530211490.db2.gz MGFLQPVWJFLCOR-UHFFFAOYSA-N 0 3 387.527 0.900 20 0 GCADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000558611400 530212468 /nfs/dbraw/zinc/21/24/68/530212468.db2.gz HRCDTYJSZOVDDF-CYBMUJFWSA-N 0 3 378.564 0.537 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000267686146 530215713 /nfs/dbraw/zinc/21/57/13/530215713.db2.gz FQUYEHXPSDKLLW-UHFFFAOYSA-N 0 3 391.559 0.983 20 0 GCADHN CC(C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1)S(C)(=O)=O ZINC000267760589 530216350 /nfs/dbraw/zinc/21/63/50/530216350.db2.gz DVXHIHYYOFLIBJ-DGCLKSJQSA-N 0 3 377.459 0.775 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000267983933 530218941 /nfs/dbraw/zinc/21/89/41/530218941.db2.gz OTMZGMZZUDAYDQ-QWHCGFSZSA-N 0 3 377.532 0.888 20 0 GCADHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)CCNS(=O)(=O)CC ZINC000268037015 530220199 /nfs/dbraw/zinc/22/01/99/530220199.db2.gz MRRJQHHJLAIKDC-UHFFFAOYSA-N 0 3 391.559 0.839 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000268141775 530222182 /nfs/dbraw/zinc/22/21/82/530222182.db2.gz IEOAGBVXHZZFNT-AWEZNQCLSA-N 0 3 375.516 0.321 20 0 GCADHN CS(=O)(=O)N(c1ccc(OCCNCc2cc[nH]c2)cc1)S(C)(=O)=O ZINC000271384052 530272030 /nfs/dbraw/zinc/27/20/30/530272030.db2.gz DWONSBFGXOYUPH-UHFFFAOYSA-N 0 3 387.483 0.909 20 0 GCADHN CC[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC[C@H]1[NH3+] ZINC000647269306 530272319 /nfs/dbraw/zinc/27/23/19/530272319.db2.gz QAJOLADNBGEKEL-ZWNOBZJWSA-N 0 3 379.479 0.945 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccc(Br)cn1 ZINC000561230970 530275327 /nfs/dbraw/zinc/27/53/27/530275327.db2.gz WABFACZWVGXWNW-CMPLNLGQSA-N 0 3 384.278 0.123 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000561256836 530275684 /nfs/dbraw/zinc/27/56/84/530275684.db2.gz SEGUGSRGBNBJLL-UHFFFAOYSA-N 0 3 385.251 0.366 20 0 GCADHN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000271799775 530276178 /nfs/dbraw/zinc/27/61/78/530276178.db2.gz PAOAGHMAKAHWOF-SNVBAGLBSA-N 0 3 393.868 0.703 20 0 GCADHN CCN(CCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)C1CC1 ZINC000124980106 530276862 /nfs/dbraw/zinc/27/68/62/530276862.db2.gz AVZIDTWCGPHRQK-UHFFFAOYSA-N 0 3 385.262 0.687 20 0 GCADHN CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@H](CN)C1 ZINC000572600428 530277017 /nfs/dbraw/zinc/27/70/17/530277017.db2.gz UYTLDSGUMJJJDS-IUODEOHRSA-N 0 3 395.301 0.903 20 0 GCADHN CS[C@H]1CN(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C[C@@H]1N(C)C ZINC000272005178 530277868 /nfs/dbraw/zinc/27/78/68/530277868.db2.gz IYBBBAJOKDXUHV-KBPBESRZSA-N 0 3 386.543 0.558 20 0 GCADHN C[C@H]([NH3+])[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000272207706 530279400 /nfs/dbraw/zinc/27/94/00/530279400.db2.gz HGQGLWFLQKITKZ-IUCAKERBSA-N 0 3 396.332 0.985 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCCS(C)(=O)=O)CC1 ZINC000425851306 530282770 /nfs/dbraw/zinc/28/27/70/530282770.db2.gz WIKUMPMWHIXVIC-UHFFFAOYSA-N 0 3 376.523 0.007 20 0 GCADHN CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000572593615 530283115 /nfs/dbraw/zinc/28/31/15/530283115.db2.gz HJUUAUCGOSZFKM-CQSZACIVSA-N 0 3 383.290 0.509 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2csc(Br)c2)[C@@H](CN)C1 ZINC000566963197 530294752 /nfs/dbraw/zinc/29/47/52/530294752.db2.gz IHYBEXFHUOFKTO-JTQLQIEISA-N 0 3 375.292 0.228 20 0 GCADHN CC(C)(N)C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000157717579 530287530 /nfs/dbraw/zinc/28/75/30/530287530.db2.gz HCARSSBSJLDIIU-SNVBAGLBSA-N 0 3 378.210 0.884 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000273414576 530288255 /nfs/dbraw/zinc/28/82/55/530288255.db2.gz JJVCXNFYHWGDCQ-ZDUSSCGKSA-N 0 3 389.543 0.946 20 0 GCADHN NC(=O)[C@H](Cc1ccccc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000273471561 530288665 /nfs/dbraw/zinc/28/86/65/530288665.db2.gz QDSIASDEWUUINF-ZDUSSCGKSA-N 0 3 379.404 0.987 20 0 GCADHN CS[C@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@@H]1N1CCCC1 ZINC000273470596 530288719 /nfs/dbraw/zinc/28/87/19/530288719.db2.gz GXRHNTZEBFNNMH-ZFWWWQNUSA-N 0 3 387.527 0.981 20 0 GCADHN CC(C)(CC(N)=O)NCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000273533345 530288987 /nfs/dbraw/zinc/28/89/87/530288987.db2.gz RTCGYAMJZVWMAB-GFCCVEGCSA-N 0 3 387.527 0.507 20 0 GCADHN C[N@@H+]1CC[C@@](O)(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000562193228 530289168 /nfs/dbraw/zinc/28/91/68/530289168.db2.gz HJUDJXCBLUSHFQ-CQSZACIVSA-N 0 3 396.296 0.455 20 0 GCADHN C[N@H+]1CC[C@@](O)(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000562193228 530289171 /nfs/dbraw/zinc/28/91/71/530289171.db2.gz HJUDJXCBLUSHFQ-CQSZACIVSA-N 0 3 396.296 0.455 20 0 GCADHN CC(C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)S(C)(=O)=O ZINC000107514371 530252889 /nfs/dbraw/zinc/25/28/89/530252889.db2.gz MOASKDXLVWEFRG-LBPRGKRZSA-N 0 3 387.889 0.856 20 0 GCADHN Cn1cc(Br)cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1=O ZINC000124706902 530253091 /nfs/dbraw/zinc/25/30/91/530253091.db2.gz YLJYWAOJPKTPIE-GFCCVEGCSA-N 0 3 397.273 0.687 20 0 GCADHN O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)N[C@H]1CCN2CCCC[C@@H]12 ZINC000269872401 530253137 /nfs/dbraw/zinc/25/31/37/530253137.db2.gz ZFLGVYRUHDYVNE-IHRRRGAJSA-N 0 3 387.527 0.809 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000269943019 530254836 /nfs/dbraw/zinc/25/48/36/530254836.db2.gz UICWMUGTVNUKEG-HNNXBMFYSA-N 0 3 377.894 0.633 20 0 GCADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000134009985 530293304 /nfs/dbraw/zinc/29/33/04/530293304.db2.gz XECCZWUHSMXAKD-LLVKDONJSA-N 0 3 399.289 0.887 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000270384861 530259440 /nfs/dbraw/zinc/25/94/40/530259440.db2.gz QHNRXSWSSLMEEJ-ZDUSSCGKSA-N 0 3 389.543 0.720 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000270384861 530259441 /nfs/dbraw/zinc/25/94/41/530259441.db2.gz QHNRXSWSSLMEEJ-ZDUSSCGKSA-N 0 3 389.543 0.720 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c(OC)c1 ZINC000564963560 530259560 /nfs/dbraw/zinc/25/95/60/530259560.db2.gz NQGQOUHZZTYCGE-WDEREUQCSA-N 0 3 379.504 0.861 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1ccc(C[NH3+])cc1 ZINC000564964777 530259859 /nfs/dbraw/zinc/25/98/59/530259859.db2.gz WHHMNRVWPFHZPT-UHFFFAOYSA-N 0 3 383.495 0.874 20 0 GCADHN CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)C[C@@H]1N(C)C ZINC000270451101 530260020 /nfs/dbraw/zinc/26/00/20/530260020.db2.gz JFMLZOWQCPLIBY-STQMWFEESA-N 0 3 375.516 0.956 20 0 GCADHN CON(C)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000270620072 530262356 /nfs/dbraw/zinc/26/23/56/530262356.db2.gz GNNMAWVSSYHNMX-CABCVRRESA-N 0 3 387.527 0.986 20 0 GCADHN COCCNCCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000237289117 530263820 /nfs/dbraw/zinc/26/38/20/530263820.db2.gz XWZWFMQVAKOTSC-UHFFFAOYSA-N 0 3 383.246 0.511 20 0 GCADHN CS[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)C[C@H]1N(C)C ZINC000270790301 530264094 /nfs/dbraw/zinc/26/40/94/530264094.db2.gz UXAUDJSSOUCQKH-CABCVRRESA-N 0 3 389.518 0.998 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCCCN1CCCC1 ZINC000270903388 530265622 /nfs/dbraw/zinc/26/56/22/530265622.db2.gz KBCWFAPTHNLWTF-UHFFFAOYSA-N 0 3 375.878 0.968 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)ccc1Cl ZINC000560507389 530266715 /nfs/dbraw/zinc/26/67/15/530266715.db2.gz SIXSKUWATLQTKZ-MRXNPFEDSA-N 0 3 387.889 0.898 20 0 GCADHN COCCNCCNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000271109515 530267694 /nfs/dbraw/zinc/26/76/94/530267694.db2.gz GYIRUWDSQOXCPJ-UHFFFAOYSA-N 0 3 375.466 0.579 20 0 GCADHN CS[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@@H]1N(C)C ZINC000271129715 530268231 /nfs/dbraw/zinc/26/82/31/530268231.db2.gz MPCDMQRALKZLMM-RYUDHWBXSA-N 0 3 377.557 0.921 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000271118489 530268386 /nfs/dbraw/zinc/26/83/86/530268386.db2.gz KJSNGJNOFXCUEG-UONOGXRCSA-N 0 3 390.531 0.057 20 0 GCADHN CN(CC(=O)NCCCNC(=O)CN(C)[C@H]1CCSC1)[C@@H]1CCSC1 ZINC000583398208 530269887 /nfs/dbraw/zinc/26/98/87/530269887.db2.gz GHWPMCLGZHTXSJ-GASCZTMLSA-N 0 3 388.603 0.484 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCCN1CC[NH2+]CC1 ZINC000237767567 530270196 /nfs/dbraw/zinc/27/01/96/530270196.db2.gz USOAERAMCOMWDG-UHFFFAOYSA-N 0 3 380.923 0.091 20 0 GCADHN O=C(Nc1ccc(Cl)cc1I)C(=O)NC1CNC1 ZINC000562757886 530295321 /nfs/dbraw/zinc/29/53/21/530295321.db2.gz IXBPPGPCTLJVCK-UHFFFAOYSA-N 0 3 379.585 0.971 20 0 GCADHN [NH3+]C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 ZINC000562841146 530296226 /nfs/dbraw/zinc/29/62/26/530296226.db2.gz NEYUBUOHDRWJDJ-KGLIPLIRSA-N 0 3 387.527 0.877 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2ccsc2Br)n1 ZINC000562868873 530296648 /nfs/dbraw/zinc/29/66/48/530296648.db2.gz WVOWNMAHCQFVSV-UHFFFAOYSA-N 0 3 387.307 0.798 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000274465762 530297043 /nfs/dbraw/zinc/29/70/43/530297043.db2.gz OSPSRBFUROSWET-UHFFFAOYSA-N 0 3 376.226 0.957 20 0 GCADHN COCCN1CCC(NC(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000140362203 530297371 /nfs/dbraw/zinc/29/73/71/530297371.db2.gz MXMLJGGAUIWWNL-UHFFFAOYSA-N 0 3 376.504 0.306 20 0 GCADHN CCN(CCO)CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000274545410 530297835 /nfs/dbraw/zinc/29/78/35/530297835.db2.gz LORRWGKNBBQKLG-UHFFFAOYSA-N 0 3 377.894 0.391 20 0 GCADHN COCCCNC(=O)C(C)S(=O)(=O)c1nnc(NC[C@H]2CCCO2)s1 ZINC000146476604 530297881 /nfs/dbraw/zinc/29/78/81/530297881.db2.gz HQJAAFZPSTWBED-WDEREUQCSA-N 0 3 392.503 0.444 20 0 GCADHN CCN(CCO)CCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000274606184 530298526 /nfs/dbraw/zinc/29/85/26/530298526.db2.gz YFQNDJRQYNDJTL-UHFFFAOYSA-N 0 3 375.516 0.577 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cs1 ZINC000363556582 530299293 /nfs/dbraw/zinc/29/92/93/530299293.db2.gz KHRADJUKFWKGBK-CYBMUJFWSA-N 0 3 387.527 0.935 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CCSC1 ZINC000332816859 530330530 /nfs/dbraw/zinc/33/05/30/530330530.db2.gz JOWWMJCDWINRTE-DZGCQCFKSA-N 0 3 378.564 0.489 20 0 GCADHN Cc1cc(N2CC[C@@H](NC(=O)COC3CNC3)C2=O)ccc1Br ZINC000569691509 530305672 /nfs/dbraw/zinc/30/56/72/530305672.db2.gz MWTKKAOGWLPDHC-CQSZACIVSA-N 0 3 382.258 0.967 20 0 GCADHN CN(C(=O)c1sccc1S(=O)(=O)N1CCOCC1)C1CCN(C)CC1 ZINC000298135363 530306730 /nfs/dbraw/zinc/30/67/30/530306730.db2.gz GYSAGBWISUYBJN-UHFFFAOYSA-N 0 3 387.527 0.935 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000298491410 530307073 /nfs/dbraw/zinc/30/70/73/530307073.db2.gz MGDVLAPFCJWWSE-CVEARBPZSA-N 0 3 387.527 0.842 20 0 GCADHN O=C(Cn1cnc2ccc(Br)cc2c1=O)NC[C@H]1CNCCO1 ZINC000562964676 530311275 /nfs/dbraw/zinc/31/12/75/530311275.db2.gz ZSKFWQPYPYEMAF-LLVKDONJSA-N 0 3 381.230 0.264 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCC1 ZINC000275513205 530312874 /nfs/dbraw/zinc/31/28/74/530312874.db2.gz UANPYDMAMDWUGZ-UHFFFAOYSA-N 0 3 375.516 0.700 20 0 GCADHN CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCO[C@H](CN)C1 ZINC000569928050 530313092 /nfs/dbraw/zinc/31/30/92/530313092.db2.gz WFXOEOHCKHXZSP-CQSZACIVSA-N 0 3 390.527 0.304 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cc(I)c[nH]1 ZINC000569941514 530313357 /nfs/dbraw/zinc/31/33/57/530313357.db2.gz SSAIQECURSEWTK-ZDUSSCGKSA-N 0 3 375.210 0.806 20 0 GCADHN CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000570153838 530316178 /nfs/dbraw/zinc/31/61/78/530316178.db2.gz CUNWFAKJQWRYRJ-OAHLLOKOSA-N 0 3 397.317 0.551 20 0 GCADHN CN(C)[C@]1(CNC(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CCSC1 ZINC000570158759 530316210 /nfs/dbraw/zinc/31/62/10/530316210.db2.gz AWYVURUABFMQOX-INIZCTEOSA-N 0 3 382.511 0.466 20 0 GCADHN C[C@H](N)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 ZINC000154855850 530319715 /nfs/dbraw/zinc/31/97/15/530319715.db2.gz UOTTXJKPFZFWNY-JTQLQIEISA-N 0 3 387.221 0.923 20 0 GCADHN Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000570464958 530319957 /nfs/dbraw/zinc/31/99/57/530319957.db2.gz XPQHCYLHARKYMY-CMPLNLGQSA-N 0 3 388.287 0.690 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)CCOc3ccccc3Br)CCN2C1=O ZINC000570463930 530320063 /nfs/dbraw/zinc/32/00/63/530320063.db2.gz IIKJHOIBOMPBES-DGCLKSJQSA-N 0 3 382.258 0.988 20 0 GCADHN O=C(NCc1nc(-c2cccc(Br)c2)no1)C(=O)NC1CNC1 ZINC000570501474 530320669 /nfs/dbraw/zinc/32/06/69/530320669.db2.gz IXXKGWZWSTVTEA-UHFFFAOYSA-N 0 3 380.202 0.203 20 0 GCADHN COC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)s1 ZINC000276193934 530321120 /nfs/dbraw/zinc/32/11/20/530321120.db2.gz HPJXMDKHGLHZRW-CQSZACIVSA-N 0 3 379.504 0.238 20 0 GCADHN C[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000570569858 530321704 /nfs/dbraw/zinc/32/17/04/530321704.db2.gz FQCSNALJOXDAEY-UHFFFAOYSA-N 0 3 384.683 0.716 20 0 GCADHN COC[C@@H](C)OC[C@H](O)CN[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000570676552 530323254 /nfs/dbraw/zinc/32/32/54/530323254.db2.gz UZXKLOAKNRTROP-RBSFLKMASA-N 0 3 392.543 0.903 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)Cc3cccc(I)c3)CCN2C1=O ZINC000570698364 530323656 /nfs/dbraw/zinc/32/36/56/530323656.db2.gz FVZUOMCRJDLISA-OLZOCXBDSA-N 0 3 399.232 0.604 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000462411125 530331379 /nfs/dbraw/zinc/33/13/79/530331379.db2.gz QADIZHBHHROFBB-HNNXBMFYSA-N 0 3 391.490 0.961 20 0 GCADHN NC(C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)C(F)(F)F ZINC000570843521 530326220 /nfs/dbraw/zinc/32/62/20/530326220.db2.gz BPFUUUPSPZCDFG-LLVKDONJSA-N 0 3 387.330 0.687 20 0 GCADHN O=S1(=O)CCO[C@H](CNC[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000570920648 530327918 /nfs/dbraw/zinc/32/79/18/530327918.db2.gz SYLOLSRCXLSGSH-VXGBXAGGSA-N 0 3 383.388 0.848 20 0 GCADHN CC(C)NS(=O)(=O)NCCN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000277017172 530328352 /nfs/dbraw/zinc/32/83/52/530328352.db2.gz CTDSODZWAFARFD-GFCCVEGCSA-N 0 3 378.520 0.541 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000277057665 530328786 /nfs/dbraw/zinc/32/87/86/530328786.db2.gz JEUKCPFEGUNUNP-UHFFFAOYSA-N 0 3 391.563 0.654 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(C)CN2CCCC2)cc1 ZINC000277131028 530329337 /nfs/dbraw/zinc/32/93/37/530329337.db2.gz WNXIVJMOSCZNHY-UHFFFAOYSA-N 0 3 389.543 0.995 20 0 GCADHN CN(C)CC1(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCC1 ZINC000281186855 530357373 /nfs/dbraw/zinc/35/73/73/530357373.db2.gz ZFHLRGCGPBGRRF-UHFFFAOYSA-N 0 3 397.277 0.493 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000282264912 530369191 /nfs/dbraw/zinc/36/91/91/530369191.db2.gz UEAIFEJPFCPRFS-CHWSQXEVSA-N 0 3 375.516 0.555 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@H]1CCOC1 ZINC000644528081 530358496 /nfs/dbraw/zinc/35/84/96/530358496.db2.gz MHFRAFWLAJJIMQ-CYBMUJFWSA-N 0 3 376.500 0.337 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@@H]1CCOC1 ZINC000644528082 530358676 /nfs/dbraw/zinc/35/86/76/530358676.db2.gz MHFRAFWLAJJIMQ-ZDUSSCGKSA-N 0 3 376.500 0.337 20 0 GCADHN C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)CN1CCN(C)CC1 ZINC000176012170 530358991 /nfs/dbraw/zinc/35/89/91/530358991.db2.gz PMSNNNCGMUXUDR-GFCCVEGCSA-N 0 3 388.921 0.601 20 0 GCADHN O=S(=O)(c1cccs1)N1CCC[C@@H](NC[C@H](O)CN2CCOCC2)C1 ZINC000644647636 530359805 /nfs/dbraw/zinc/35/98/05/530359805.db2.gz GNWPBUGBNKEATM-CABCVRRESA-N 0 3 389.543 0.184 20 0 GCADHN CSc1ccc(OC[C@@H](O)CNCCNS(=O)(=O)NC(C)C)cc1 ZINC000644632461 530360072 /nfs/dbraw/zinc/36/00/72/530360072.db2.gz JWWICDGWTAUIIX-ZDUSSCGKSA-N 0 3 377.532 0.570 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000281604637 530361089 /nfs/dbraw/zinc/36/10/89/530361089.db2.gz ORQQKCGPHRXBPH-SNVBAGLBSA-N 0 3 376.276 0.921 20 0 GCADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC)C1 ZINC000281659460 530361410 /nfs/dbraw/zinc/36/14/10/530361410.db2.gz AMQVTKBMMZAGGG-CYBMUJFWSA-N 0 3 375.516 0.700 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177426928 530362305 /nfs/dbraw/zinc/36/23/05/530362305.db2.gz NPENQWTXQVYSAY-UHFFFAOYSA-N 0 3 399.289 0.822 20 0 GCADHN CN(C)S(=O)(=O)c1ccsc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281892427 530363947 /nfs/dbraw/zinc/36/39/47/530363947.db2.gz YGLZJZRZXCBVRW-UHFFFAOYSA-N 0 3 388.559 0.754 20 0 GCADHN Cn1cc(CNC[C@H](O)COc2ccccc2Br)c(=O)n(C)c1=O ZINC000178455075 530364076 /nfs/dbraw/zinc/36/40/76/530364076.db2.gz NTQQUIQTADOEGS-LBPRGKRZSA-N 0 3 398.257 0.376 20 0 GCADHN CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1 ZINC000281930357 530364581 /nfs/dbraw/zinc/36/45/81/530364581.db2.gz LMLOAMJXBBBYIA-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000281924197 530364654 /nfs/dbraw/zinc/36/46/54/530364654.db2.gz LAHNSPPRCGDYAY-UONOGXRCSA-N 0 3 387.527 0.700 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000282037108 530365985 /nfs/dbraw/zinc/36/59/85/530365985.db2.gz VRBFMGIRYDFBNH-UHFFFAOYSA-N 0 3 382.467 0.635 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@@H]1CC[C@@H](O)C1 ZINC000647529023 530333533 /nfs/dbraw/zinc/33/35/33/530333533.db2.gz ULGDRGKEVQFONG-ZIAGYGMSSA-N 0 3 390.527 0.461 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000179949202 530368144 /nfs/dbraw/zinc/36/81/44/530368144.db2.gz GWHIAXBXXPNBMO-AWEZNQCLSA-N 0 3 393.303 0.895 20 0 GCADHN N[C@@H]1C[C@H]2CN(Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132903 530368205 /nfs/dbraw/zinc/36/82/05/530368205.db2.gz BTOATMMTWOBWGB-QWHCGFSZSA-N 0 3 392.257 0.201 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCCC[C@H]1[C@@H](C)CO)S(C)(=O)=O ZINC000661432802 530336866 /nfs/dbraw/zinc/33/68/66/530336866.db2.gz CLIQQWMPYVHLEQ-HOTGVXAUSA-N 0 3 377.551 0.646 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCCC[C@@H]1[C@@H](C)CO)S(C)(=O)=O ZINC000661432808 530336957 /nfs/dbraw/zinc/33/69/57/530336957.db2.gz CLIQQWMPYVHLEQ-JKSUJKDBSA-N 0 3 377.551 0.646 20 0 GCADHN CCN[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000637887655 530339813 /nfs/dbraw/zinc/33/98/13/530339813.db2.gz XRUMRXZWYVACDI-NSHDSACASA-N 0 3 383.499 0.522 20 0 GCADHN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000278342889 530340506 /nfs/dbraw/zinc/34/05/06/530340506.db2.gz WFPXUPDLEBLKQF-MRXNPFEDSA-N 0 3 386.543 0.879 20 0 GCADHN O=C(CN1CC[NH2+]CC1)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000637891684 530341123 /nfs/dbraw/zinc/34/11/23/530341123.db2.gz LKYNKTRHAXGQAF-UHFFFAOYSA-N 0 3 380.392 0.371 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cncc(Br)c2)CC1 ZINC000278952589 530344805 /nfs/dbraw/zinc/34/48/05/530344805.db2.gz ZMEFRMRSWIYBAL-UHFFFAOYSA-N 0 3 377.308 0.760 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)S(C)(=O)=O ZINC000407993478 530345682 /nfs/dbraw/zinc/34/56/82/530345682.db2.gz OXGVLIOVZURDPX-ZDUSSCGKSA-N 0 3 395.547 0.073 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623021203 530345921 /nfs/dbraw/zinc/34/59/21/530345921.db2.gz JBWWGSITDINXHT-CQSZACIVSA-N 0 3 383.250 0.467 20 0 GCADHN CSC1(CNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CCN(C)CC1 ZINC000589630552 530345972 /nfs/dbraw/zinc/34/59/72/530345972.db2.gz LGWTWLNRHXXFPK-CYBMUJFWSA-N 0 3 378.564 0.537 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1cccs1 ZINC000279266654 530346386 /nfs/dbraw/zinc/34/63/86/530346386.db2.gz YHVOZKJJIHQIED-CYBMUJFWSA-N 0 3 387.527 0.738 20 0 GCADHN CCc1[nH]nc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1Br ZINC000279585757 530348052 /nfs/dbraw/zinc/34/80/52/530348052.db2.gz XBKGJWUUIFTCJX-SNVBAGLBSA-N 0 3 375.267 0.500 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000170722378 530348510 /nfs/dbraw/zinc/34/85/10/530348510.db2.gz PSMVHFDKBNCACG-JTQLQIEISA-N 0 3 397.277 0.493 20 0 GCADHN CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000172842774 530352081 /nfs/dbraw/zinc/35/20/81/530352081.db2.gz BWBCIJISUIKYKW-LLVKDONJSA-N 0 3 387.278 0.632 20 0 GCADHN CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000172842774 530352083 /nfs/dbraw/zinc/35/20/83/530352083.db2.gz BWBCIJISUIKYKW-LLVKDONJSA-N 0 3 387.278 0.632 20 0 GCADHN CC(C)[C@H](CCO)NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000460361665 530352628 /nfs/dbraw/zinc/35/26/28/530352628.db2.gz HQAUZCFIUYXIEC-PMPSAXMXSA-N 0 3 376.519 0.178 20 0 GCADHN CN1CCN(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000282463939 530371806 /nfs/dbraw/zinc/37/18/06/530371806.db2.gz IANHJOFFQLNETP-UHFFFAOYSA-N 0 3 389.543 0.394 20 0 GCADHN CO[C@@H](CS(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCCC1 ZINC000658379484 530373428 /nfs/dbraw/zinc/37/34/28/530373428.db2.gz PZAYNZMJEFVBNW-UONOGXRCSA-N 0 3 387.468 0.947 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000184065506 530375178 /nfs/dbraw/zinc/37/51/78/530375178.db2.gz BYWPLFDIPOZYQU-ZIAGYGMSSA-N 0 3 388.559 0.557 20 0 GCADHN CN1CCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)[C@@H](CN)C1 ZINC000582066150 530375548 /nfs/dbraw/zinc/37/55/48/530375548.db2.gz RGKBXRXKARARTN-ZDUSSCGKSA-N 0 3 395.934 0.148 20 0 GCADHN CSc1cc(C(=O)CN2C(C)C(=O)N(C)S2(=O)=O)ccc1NC(C)=O ZINC000283015838 530376542 /nfs/dbraw/zinc/37/65/42/530376542.db2.gz LVJIXUJVFYFUDN-VIFPVBQESA-N 0 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/nfs/dbraw/zinc/38/28/01/530382801.db2.gz OLQPMIMDECTBDI-GWCFXTLKSA-N 0 3 379.479 0.945 20 0 GCADHN CS(=O)(=O)N(CC(F)(F)F)C1CCN(C[C@H](O)Cn2cccn2)CC1 ZINC000497381956 530383041 /nfs/dbraw/zinc/38/30/41/530383041.db2.gz DNGVJSQJSPDTAQ-ZDUSSCGKSA-N 0 3 384.424 0.532 20 0 GCADHN COc1ccc(CS(=O)(=O)C(C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1F ZINC000498780106 530384680 /nfs/dbraw/zinc/38/46/80/530384680.db2.gz HMMLDWZZFDZVMO-JQWIXIFHSA-N 0 3 393.458 0.441 20 0 GCADHN CS[C@@H]1CN(S(=O)(=O)CCCN2CCN(C)CC2)C[C@@H]1N1CCCC1 ZINC000601397860 530385542 /nfs/dbraw/zinc/38/55/42/530385542.db2.gz VNRSIMBLSPRCRM-DLBZAZTESA-N 0 3 390.619 0.465 20 0 GCADHN CN(CCN1CCCC1)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000497708966 530388435 /nfs/dbraw/zinc/38/84/35/530388435.db2.gz PCPBPEVUWHZWFZ-OAHLLOKOSA-N 0 3 376.523 0.212 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc(Br)n2)CC1(C)C ZINC000285198500 530390974 /nfs/dbraw/zinc/39/09/74/530390974.db2.gz LMNHTUOLVOZUFZ-UHFFFAOYSA-N 0 3 398.305 0.925 20 0 GCADHN 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530370893 /nfs/dbraw/zinc/37/08/93/530370893.db2.gz NFBVLQKGDIQPEZ-INIZCTEOSA-N 0 3 399.289 0.545 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000522701204 530370939 /nfs/dbraw/zinc/37/09/39/530370939.db2.gz IRTQHKZZONOLEE-UHFFFAOYSA-N 0 3 381.483 0.795 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000181446544 530371194 /nfs/dbraw/zinc/37/11/94/530371194.db2.gz FUKHATDUTSCLSP-NSHDSACASA-N 0 3 399.289 0.934 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000181446991 530371396 /nfs/dbraw/zinc/37/13/96/530371396.db2.gz IFABUQABPUUKOW-UHFFFAOYSA-N 0 3 398.305 0.926 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H](N)CCSC)c1 ZINC000497951660 530396289 /nfs/dbraw/zinc/39/62/89/530396289.db2.gz ASHGGRBZHNHWDU-GXFFZTMASA-N 0 3 388.515 0.118 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CCOCC1 ZINC000605787665 530397484 /nfs/dbraw/zinc/39/74/84/530397484.db2.gz RCTLSCSYUGYZPY-UHFFFAOYSA-N 0 3 390.527 0.620 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000590740025 530400571 /nfs/dbraw/zinc/40/05/71/530400571.db2.gz IFDKPXWTRNSHBP-LLVKDONJSA-N 0 3 386.392 0.755 20 0 GCADHN O=C(CCn1cc(Br)cn1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000590740135 530400801 /nfs/dbraw/zinc/40/08/01/530400801.db2.gz ZGCXLEAGJHWUGW-UHFFFAOYSA-N 0 3 398.305 0.802 20 0 GCADHN Cc1nc2sccn2c(=O)c1CCN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000286535146 530401911 /nfs/dbraw/zinc/40/19/11/530401911.db2.gz TZRBBBSBESAEHD-ZDUSSCGKSA-N 0 3 384.527 0.868 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)N(C)CCN(C)C2CCN(C)CC2)s1 ZINC000286758729 530403680 /nfs/dbraw/zinc/40/36/80/530403680.db2.gz VMGQDJPUDPLZPY-UHFFFAOYSA-N 0 3 389.547 0.748 20 0 GCADHN C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000287063483 530405890 /nfs/dbraw/zinc/40/58/90/530405890.db2.gz JUIPDYUETBWDKN-CMPLNLGQSA-N 0 3 385.262 0.797 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1(C)C ZINC000645302850 530407962 /nfs/dbraw/zinc/40/79/62/530407962.db2.gz XZKAEJAIFFOCNQ-SUMWQHHRSA-N 0 3 375.535 0.887 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000497917361 530395110 /nfs/dbraw/zinc/39/51/10/530395110.db2.gz OOQNZZRFRXOPQJ-GFCCVEGCSA-N 0 3 395.257 0.975 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000287763294 530411592 /nfs/dbraw/zinc/41/15/92/530411592.db2.gz QQLXPDHULKFTFI-UHFFFAOYSA-N 0 3 382.408 0.863 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000287471829 530408684 /nfs/dbraw/zinc/40/86/84/530408684.db2.gz SEMMEWXUOQWOHQ-UHFFFAOYSA-N 0 3 375.520 0.406 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000287471829 530408686 /nfs/dbraw/zinc/40/86/86/530408686.db2.gz SEMMEWXUOQWOHQ-UHFFFAOYSA-N 0 3 375.520 0.406 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000592098135 530413843 /nfs/dbraw/zinc/41/38/43/530413843.db2.gz MFUFJKQRNVXJNK-ZDUSSCGKSA-N 0 3 375.516 0.644 20 0 GCADHN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000288225988 530415865 /nfs/dbraw/zinc/41/58/65/530415865.db2.gz DZUNQYHUHBIOSQ-MNOVXSKESA-N 0 3 385.262 0.797 20 0 GCADHN CCS(=O)(=O)c1cccc(S(=O)(=O)NCCCN(C)CCN(C)C)c1 ZINC000288342887 530417080 /nfs/dbraw/zinc/41/70/80/530417080.db2.gz IEUDKERADYQUHO-UHFFFAOYSA-N 0 3 391.559 0.642 20 0 GCADHN CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000638324906 530417119 /nfs/dbraw/zinc/41/71/19/530417119.db2.gz FCBUSIVKCNFOPV-NHYWBVRUSA-N 0 3 377.413 0.126 20 0 GCADHN COCC1(CS(=O)(=O)NCC(=O)NCCN2CCCCCC2)CCC1 ZINC000651717160 530420310 /nfs/dbraw/zinc/42/03/10/530420310.db2.gz VCOKQXATWOUPOH-UHFFFAOYSA-N 0 3 375.535 0.715 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000647707229 530421668 /nfs/dbraw/zinc/42/16/68/530421668.db2.gz ZFGLWQUVESOCKP-GJZGRUSLSA-N 0 3 396.285 0.846 20 0 GCADHN COC(=O)CC[C@H](N)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000289704095 530427217 /nfs/dbraw/zinc/42/72/17/530427217.db2.gz FMGOEKYDVQPZJH-JTQLQIEISA-N 0 3 387.234 0.522 20 0 GCADHN CO[C@@H](CN)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000289739608 530427406 /nfs/dbraw/zinc/42/74/06/530427406.db2.gz VSIMMJPIXOWAOO-ZDUSSCGKSA-N 0 3 396.296 0.800 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc(I)cn1 ZINC000594357440 530427803 /nfs/dbraw/zinc/42/78/03/530427803.db2.gz CCUPSYFBQPESGH-AWEZNQCLSA-N 0 3 387.221 0.873 20 0 GCADHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000289597820 530425976 /nfs/dbraw/zinc/42/59/76/530425976.db2.gz QEKYVQCAIVKIFS-CYBMUJFWSA-N 0 3 377.532 0.944 20 0 GCADHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000290236541 530430979 /nfs/dbraw/zinc/43/09/79/530430979.db2.gz PZLOZMGZADHFFJ-CYBMUJFWSA-N 0 3 377.532 0.993 20 0 GCADHN CC(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(F)cccc1F ZINC000290496127 530433348 /nfs/dbraw/zinc/43/33/48/530433348.db2.gz JYLNQMICOXXIQU-GHMZBOCLSA-N 0 3 395.449 0.914 20 0 GCADHN CN(C[C@H](O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)C1CC1 ZINC000290501154 530433569 /nfs/dbraw/zinc/43/35/69/530433569.db2.gz ASIMVNARCMXSDG-AWEZNQCLSA-N 0 3 387.527 0.650 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000290477320 530433668 /nfs/dbraw/zinc/43/36/68/530433668.db2.gz SEOWMQDSQHHJIE-ZDUSSCGKSA-N 0 3 375.466 0.577 20 0 GCADHN CO[C@@H](CN)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000289907361 530428783 /nfs/dbraw/zinc/42/87/83/530428783.db2.gz JNKQILDPZAUORZ-JTQLQIEISA-N 0 3 381.907 0.598 20 0 GCADHN COCCN(C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000290026175 530429555 /nfs/dbraw/zinc/42/95/55/530429555.db2.gz FPSPXSRZLGZHSB-UHFFFAOYSA-N 0 3 398.312 0.966 20 0 GCADHN Cc1cc(Br)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000594875824 530442725 /nfs/dbraw/zinc/44/27/25/530442725.db2.gz SQFOJFMVXHIVCY-WPRPVWTQSA-N 0 3 394.316 0.752 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](C)[NH+](C)C)c(C(=O)OC)s1 ZINC000594817142 530440308 /nfs/dbraw/zinc/44/03/08/530440308.db2.gz OAGBYELSOHXQFC-VIFPVBQESA-N 0 3 378.472 0.940 20 0 GCADHN COc1cc(Br)ccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595274182 530445207 /nfs/dbraw/zinc/44/52/07/530445207.db2.gz SEKASXNPHKRUTG-CHWSQXEVSA-N 0 3 397.273 0.911 20 0 GCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)COCC(F)(F)F ZINC000292690743 530448721 /nfs/dbraw/zinc/44/87/21/530448721.db2.gz KHRDNYGJFMYZHU-NSHDSACASA-N 0 3 386.392 0.584 20 0 GCADHN COC(=O)[C@H](c1ccccc1Br)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595903294 530450170 /nfs/dbraw/zinc/45/01/70/530450170.db2.gz RZSIRBDULBUTPL-GDLCADMTSA-N 0 3 382.258 0.907 20 0 GCADHN COCCN(C)CCCNC(=O)c1cnn(C)c1I ZINC000293499017 530454296 /nfs/dbraw/zinc/45/42/96/530454296.db2.gz NOAWJPPMSWCFFZ-UHFFFAOYSA-N 0 3 380.230 0.723 20 0 GCADHN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC[C@H](CN2CCCC2)C1 ZINC000293006148 530451464 /nfs/dbraw/zinc/45/14/64/530451464.db2.gz HSOYXGQNVRJGRN-CYBMUJFWSA-N 0 3 387.527 0.660 20 0 GCADHN CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595980001 530451798 /nfs/dbraw/zinc/45/17/98/530451798.db2.gz CDYKILBLOYEHKN-CMPLNLGQSA-N 0 3 384.889 0.520 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N(C)CCn2cc(Br)cn2)CC1=O ZINC000293142246 530452309 /nfs/dbraw/zinc/45/23/09/530452309.db2.gz WQHJYDXZXIROAM-LBPRGKRZSA-N 0 3 386.294 0.514 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)Cn3cc(Br)ccc3=O)[C@H]2C1 ZINC000293930900 530456430 /nfs/dbraw/zinc/45/64/30/530456430.db2.gz PRICZNICNOBDBE-UONOGXRCSA-N 0 3 384.274 0.932 20 0 GCADHN CN(C)CCn1nccc1NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000294040283 530457046 /nfs/dbraw/zinc/45/70/46/530457046.db2.gz KPIKMIYODKYZEW-UHFFFAOYSA-N 0 3 385.515 0.850 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1F ZINC000652376432 530462003 /nfs/dbraw/zinc/46/20/03/530462003.db2.gz MFSPUYRXPKSSAS-NHYWBVRUSA-N 0 3 391.490 0.947 20 0 GCADHN CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000295258391 530462434 /nfs/dbraw/zinc/46/24/34/530462434.db2.gz GSAJLFZTBZJGDY-SNVBAGLBSA-N 0 3 383.455 0.339 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000295258391 530462436 /nfs/dbraw/zinc/46/24/36/530462436.db2.gz GSAJLFZTBZJGDY-SNVBAGLBSA-N 0 3 383.455 0.339 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000295422454 530463486 /nfs/dbraw/zinc/46/34/86/530463486.db2.gz KEBGQYYIRVZOBK-QWHCGFSZSA-N 0 3 375.516 0.378 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(Br)cn1 ZINC000365195664 530465256 /nfs/dbraw/zinc/46/52/56/530465256.db2.gz FOBARLMHWGRVRI-RYUDHWBXSA-N 0 3 383.246 0.762 20 0 GCADHN C[C@@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N(C)C ZINC000298301110 530479431 /nfs/dbraw/zinc/47/94/31/530479431.db2.gz BAHNDUAUFWGINB-LBPRGKRZSA-N 0 3 375.516 0.378 20 0 GCADHN CN1CCC(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000298381905 530480351 /nfs/dbraw/zinc/48/03/51/530480351.db2.gz CAPLLMPUYPHDTE-UHFFFAOYSA-N 0 3 387.527 0.522 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN(C)CCOC)c1 ZINC000298453145 530481023 /nfs/dbraw/zinc/48/10/23/530481023.db2.gz KNSNPSZJKPBCEO-UHFFFAOYSA-N 0 3 377.894 0.946 20 0 GCADHN COC1CCN(C(C)(C)CNS(=O)(=O)CCCN2CCOCC2)CC1 ZINC000463414945 530483357 /nfs/dbraw/zinc/48/33/57/530483357.db2.gz HEDWIVWWOJXYIZ-UHFFFAOYSA-N 0 3 377.551 0.518 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3cc(Br)cc4nc[nH]c43)CCN2C1=O ZINC000602522164 530484010 /nfs/dbraw/zinc/48/40/10/530484010.db2.gz DGNJOOAWUBTMHP-GXSJLCMTSA-N 0 3 378.230 0.709 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)Cc3csc(CCC(F)(F)F)n3)CCN2C1=O ZINC000602532502 530484456 /nfs/dbraw/zinc/48/44/56/530484456.db2.gz ZKUJWLWTSWLWCV-QWRGUYRKSA-N 0 3 376.404 0.951 20 0 GCADHN O=C(c1cncc(I)c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599936672 530475942 /nfs/dbraw/zinc/47/59/42/530475942.db2.gz ASIPQWHECBKDPY-OLZOCXBDSA-N 0 3 387.221 0.967 20 0 GCADHN CN(C)S(=O)(=O)NCCNCc1cccc(I)c1 ZINC000298029961 530476497 /nfs/dbraw/zinc/47/64/97/530476497.db2.gz FTOSTZCPERHEGT-UHFFFAOYSA-N 0 3 383.255 0.777 20 0 GCADHN CO[C@@H]1CCN(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)[C@H](CN)C1 ZINC000521437052 530485994 /nfs/dbraw/zinc/48/59/94/530485994.db2.gz NFPDYEBESKMUNX-OWCLPIDISA-N 0 3 375.535 0.096 20 0 GCADHN Cn1ncc(I)c1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000603052665 530487428 /nfs/dbraw/zinc/48/74/28/530487428.db2.gz LPIFVTJQPIKJGD-SECBINFHSA-N 0 3 378.214 0.211 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NCCCN2CCC(C)CC2)c1 ZINC000299432411 530490405 /nfs/dbraw/zinc/49/04/05/530490405.db2.gz DTFKBSDJTOFFTN-UHFFFAOYSA-N 0 3 389.543 0.995 20 0 GCADHN CC(C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000299654103 530493058 /nfs/dbraw/zinc/49/30/58/530493058.db2.gz WMCYNTPXNBNTMW-GFCCVEGCSA-N 0 3 387.889 0.538 20 0 GCADHN C[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)[NH+](C)C ZINC000299655248 530493101 /nfs/dbraw/zinc/49/31/01/530493101.db2.gz WPDGEQDNMPDNAD-MRVPVSSYSA-N 0 3 384.321 0.855 20 0 GCADHN [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C[N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000563114098 530493914 /nfs/dbraw/zinc/49/39/14/530493914.db2.gz ZIDBCMALYRWZIP-KGLIPLIRSA-N 0 3 387.527 0.771 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N(C)C)ncc1I ZINC000453570815 530494610 /nfs/dbraw/zinc/49/46/10/530494610.db2.gz DEMKNTSMHRBPBC-VIFPVBQESA-N 0 3 390.225 0.999 20 0 GCADHN CC(C)N(CCCNC(=O)CN(C[C@H]1CCOC1)C1CC1)S(C)(=O)=O ZINC000531902683 530494793 /nfs/dbraw/zinc/49/47/93/530494793.db2.gz LPMWPBBUIFIZGB-OAHLLOKOSA-N 0 3 375.535 0.664 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1 ZINC000604407755 530495687 /nfs/dbraw/zinc/49/56/87/530495687.db2.gz AJORBJKUSWZRQE-CYBMUJFWSA-N 0 3 375.516 0.557 20 0 GCADHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CN)c(I)c1 ZINC000415639678 530503726 /nfs/dbraw/zinc/50/37/26/530503726.db2.gz GWMWZSVJQVDHAJ-ZETCQYMHSA-N 0 3 377.182 0.702 20 0 GCADHN CN(C(=O)C(=O)Nc1cccc(F)c1I)C1CNC1 ZINC000415728797 530504358 /nfs/dbraw/zinc/50/43/58/530504358.db2.gz BPFWIQYGQNODRD-UHFFFAOYSA-N 0 3 377.157 0.799 20 0 GCADHN CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415858360 530504956 /nfs/dbraw/zinc/50/49/56/530504956.db2.gz DVUNZCPVZWLAQC-LLVKDONJSA-N 0 3 386.246 0.891 20 0 GCADHN COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N(C)CCN ZINC000415878806 530505156 /nfs/dbraw/zinc/50/51/56/530505156.db2.gz NTINMGLEVVBKJU-UHFFFAOYSA-N 0 3 376.182 0.730 20 0 GCADHN C[NH2+]CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000440831793 530505676 /nfs/dbraw/zinc/50/56/76/530505676.db2.gz HBZMIXOVSXLRFG-UHFFFAOYSA-N 0 3 389.421 0.367 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000262036566 530507549 /nfs/dbraw/zinc/50/75/49/530507549.db2.gz KQBZATQRINGHJB-MRVPVSSYSA-N 0 3 383.289 0.493 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1 ZINC000416495905 530510969 /nfs/dbraw/zinc/51/09/69/530510969.db2.gz NIRFHPIEJZFDJX-VIFPVBQESA-N 0 3 376.276 0.778 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)N2CCCNCC2)ccc1Br ZINC000415319136 530502824 /nfs/dbraw/zinc/50/28/24/530502824.db2.gz NYCVBJXDBZYSCU-UHFFFAOYSA-N 0 3 384.230 0.996 20 0 GCADHN Cn1cc(NC(=O)C(=O)NC[C@@H]2CCCN(C)C2)cc(Br)c1=O ZINC000525838450 530512242 /nfs/dbraw/zinc/51/22/42/530512242.db2.gz MIGBOCGEYLHCNG-JTQLQIEISA-N 0 3 385.262 0.544 20 0 GCADHN Cn1cc(NC(=O)C(=O)NC[C@H]2CCCN(C)C2)cc(Br)c1=O ZINC000525838451 530512304 /nfs/dbraw/zinc/51/23/04/530512304.db2.gz MIGBOCGEYLHCNG-SNVBAGLBSA-N 0 3 385.262 0.544 20 0 GCADHN CN1CCC[C@@H](CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000416551257 530512588 /nfs/dbraw/zinc/51/25/88/530512588.db2.gz GOTGOXHEKGWUME-HNNXBMFYSA-N 0 3 389.543 0.616 20 0 GCADHN C[C@H]([NH3+])CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000571045960 530516070 /nfs/dbraw/zinc/51/60/70/530516070.db2.gz QMQWFPCGIVLVLT-QMMMGPOBSA-N 0 3 385.305 0.868 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc(Br)cn1 ZINC000535381052 530516503 /nfs/dbraw/zinc/51/65/03/530516503.db2.gz SCMKUKYKQZKIAR-UHFFFAOYSA-N 0 3 385.306 0.964 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000046948598 530516574 /nfs/dbraw/zinc/51/65/74/530516574.db2.gz DKMZVCBJJLLKQK-ZDUSSCGKSA-N 0 3 385.306 0.753 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673512114 530517513 /nfs/dbraw/zinc/51/75/13/530517513.db2.gz YBHBYCVEBASSPY-QWRGUYRKSA-N 0 3 386.246 0.439 20 0 GCADHN CCOCC(C)(C)NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000563275357 530519571 /nfs/dbraw/zinc/51/95/71/530519571.db2.gz BIJSTVFZRYOJHP-LSDHHAIUSA-N 0 3 376.519 0.586 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)[C@H]1CCCN1C1CCOCC1 ZINC000366348058 530519763 /nfs/dbraw/zinc/51/97/63/530519763.db2.gz PKVKJUPODNXGEV-OAHLLOKOSA-N 0 3 391.559 0.125 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)[C@H](C)CN1 ZINC000237475627 530519835 /nfs/dbraw/zinc/51/98/35/530519835.db2.gz YJYKXTDQVWXTJV-RKDXNWHRSA-N 0 3 376.276 0.919 20 0 GCADHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000330458811 530519927 /nfs/dbraw/zinc/51/99/27/530519927.db2.gz ZFSQULBKNDQYPN-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CCN1CCCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000366348439 530519936 /nfs/dbraw/zinc/51/99/36/530519936.db2.gz RSGVJBBFFKEULM-UHFFFAOYSA-N 0 3 382.477 0.988 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSCCN(C)C)CC1 ZINC000330456747 530519939 /nfs/dbraw/zinc/51/99/39/530519939.db2.gz GLDJBRCGSRZNES-UHFFFAOYSA-N 0 3 390.531 0.419 20 0 GCADHN CCS(=O)(=O)N(C)C1CCN(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000440320898 530520253 /nfs/dbraw/zinc/52/02/53/530520253.db2.gz OCSHUUOLJICLSN-INMHGKMJSA-N 0 3 377.551 0.202 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CN1C1CC1 ZINC000563305852 530520481 /nfs/dbraw/zinc/52/04/81/530520481.db2.gz PUUJKFNRMWFOTN-SCVCMEIPSA-N 0 3 386.440 0.733 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CN1C1CC1 ZINC000563305846 530520496 /nfs/dbraw/zinc/52/04/96/530520496.db2.gz PUUJKFNRMWFOTN-CKYFFXLPSA-N 0 3 386.440 0.733 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000330494781 530521171 /nfs/dbraw/zinc/52/11/71/530521171.db2.gz VMUGAZMOPLWHET-ZIAGYGMSSA-N 0 3 389.543 0.980 20 0 GCADHN COC[C@]1(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC[NH2+]C1 ZINC000567666762 530546133 /nfs/dbraw/zinc/54/61/33/530546133.db2.gz VGUSEWPVBXEWEK-INIZCTEOSA-N 0 3 387.527 0.644 20 0 GCADHN COCC[C@@H](C)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000567682183 530546524 /nfs/dbraw/zinc/54/65/24/530546524.db2.gz JLDMRMYSPDKFLI-CYBMUJFWSA-N 0 3 378.516 0.725 20 0 GCADHN O=C(CNC1CC1)NC[C@H](O)COc1ccc(I)cc1 ZINC000567822280 530548921 /nfs/dbraw/zinc/54/89/21/530548921.db2.gz DXFNULOQKHUGLC-LBPRGKRZSA-N 0 3 390.221 0.899 20 0 GCADHN COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCN1C ZINC000567861662 530549560 /nfs/dbraw/zinc/54/95/60/530549560.db2.gz MPUATIOAYQPEQF-LLVKDONJSA-N 0 3 383.495 0.870 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000534339047 530523722 /nfs/dbraw/zinc/52/37/22/530523722.db2.gz KZDYZABACJFYHK-KFWWJZLASA-N 0 3 375.535 0.856 20 0 GCADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1I ZINC000563442717 530526257 /nfs/dbraw/zinc/52/62/57/530526257.db2.gz SGXLWLFNZONPFM-AAEUAGOBSA-N 0 3 399.232 0.984 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000410909311 530526298 /nfs/dbraw/zinc/52/62/98/530526298.db2.gz JXKCYTOAFVWPDR-UHFFFAOYSA-N 0 3 392.319 0.852 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3csc(-c4ccccc4)n3)CCN2C1=O ZINC000563443915 530526406 /nfs/dbraw/zinc/52/64/06/530526406.db2.gz ZAYDRLGRVCRIOS-QWHCGFSZSA-N 0 3 378.479 0.743 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc(F)c1Br ZINC000411131986 530527034 /nfs/dbraw/zinc/52/70/34/530527034.db2.gz KGLQUHOBDAEUPW-JTQLQIEISA-N 0 3 376.226 0.874 20 0 GCADHN O=C(NC1CNC1)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000563620217 530527213 /nfs/dbraw/zinc/52/72/13/530527213.db2.gz JHDOHIBOOWRHMX-UHFFFAOYSA-N 0 3 395.301 0.618 20 0 GCADHN O=C(NC1CNC1)C(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000563609640 530527224 /nfs/dbraw/zinc/52/72/24/530527224.db2.gz CHSUFAIDYJPCCL-LBPRGKRZSA-N 0 3 385.251 0.693 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCCC(=O)NC(=O)NCC(F)(F)F ZINC000411634778 530529104 /nfs/dbraw/zinc/52/91/04/530529104.db2.gz CPCUOPOICPFYFZ-VHSXEESVSA-N 0 3 388.412 0.215 20 0 GCADHN CCC1(CC)[C@H](NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC000411629762 530529158 /nfs/dbraw/zinc/52/91/58/530529158.db2.gz FFXAMAQLPXBDNU-YNEHKIRRSA-N 0 3 375.491 0.183 20 0 GCADHN COCCN(C(=O)CN[C@H](C)[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000411950008 530529571 /nfs/dbraw/zinc/52/95/71/530529571.db2.gz OPEPMSATLWNTOD-KMFMINBZSA-N 0 3 376.519 0.442 20 0 GCADHN COCCN(CCOC)S(=O)(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000445750143 530550181 /nfs/dbraw/zinc/55/01/81/530550181.db2.gz ISOBMMNIRYRNLD-GJZGRUSLSA-N 0 3 381.564 0.338 20 0 GCADHN N[C@H]1C[C@H]2CN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CCN2C1=O ZINC000566489869 530530685 /nfs/dbraw/zinc/53/06/85/530530685.db2.gz COXXNRRRBDMZBY-ONGXEEELSA-N 0 3 378.376 0.101 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)CCN2C1=O ZINC000566504398 530531149 /nfs/dbraw/zinc/53/11/49/530531149.db2.gz CNKBIZYLCJDJQY-SKDRFNHKSA-N 0 3 399.220 0.297 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)N1CCC(OCCN(C)C)CC1 ZINC000443244105 530531202 /nfs/dbraw/zinc/53/12/02/530531202.db2.gz GVRHXWQPQOWTJT-UHFFFAOYSA-N 0 3 377.488 0.661 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)CCN2C1=O ZINC000566495953 530531294 /nfs/dbraw/zinc/53/12/94/530531294.db2.gz MNRDQCNHVFTENV-LDYMZIIASA-N 0 3 395.815 0.874 20 0 GCADHN C[C@](N)(C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000566497023 530531346 /nfs/dbraw/zinc/53/13/46/530531346.db2.gz WMSBYQAQGPSIQV-XJKCOSOUSA-N 0 3 381.274 0.393 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)CCN2C1=O ZINC000566495951 530531471 /nfs/dbraw/zinc/53/14/71/530531471.db2.gz MNRDQCNHVFTENV-KCJUWKMLSA-N 0 3 395.815 0.874 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)cs1 ZINC000443291108 530532292 /nfs/dbraw/zinc/53/22/92/530532292.db2.gz RDBJYJWBZAIYFE-GFCCVEGCSA-N 0 3 376.500 0.906 20 0 GCADHN CN(C)C1(CN(C)C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)CCC1 ZINC000566639196 530532513 /nfs/dbraw/zinc/53/25/13/530532513.db2.gz CBYSVLIBQLFTKE-UHFFFAOYSA-N 0 3 387.527 0.711 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566677756 530532608 /nfs/dbraw/zinc/53/26/08/530532608.db2.gz RYSIDXPFMVIDEH-QWHCGFSZSA-N 0 3 387.527 0.629 20 0 GCADHN CC[C@H](C)[C@H](O)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000566679001 530532771 /nfs/dbraw/zinc/53/27/71/530532771.db2.gz MURQVGXMVCTLKI-UONOGXRCSA-N 0 3 392.543 0.707 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000443292364 530532931 /nfs/dbraw/zinc/53/29/31/530532931.db2.gz CNGVNBKNZUJTDF-AWEZNQCLSA-N 0 3 389.543 0.899 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000443292364 530532935 /nfs/dbraw/zinc/53/29/35/530532935.db2.gz CNGVNBKNZUJTDF-AWEZNQCLSA-N 0 3 389.543 0.899 20 0 GCADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000443492034 530535590 /nfs/dbraw/zinc/53/55/90/530535590.db2.gz NSGUNOPKGSTRCT-AWEZNQCLSA-N 0 3 377.507 0.084 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)NCCN1CCCCCC1)C(F)(F)F ZINC000566932294 530536248 /nfs/dbraw/zinc/53/62/48/530536248.db2.gz UPRYTVDVCKGAHC-LBPRGKRZSA-N 0 3 388.456 0.984 20 0 GCADHN CNC(=O)[C@H](CCSC)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000566995914 530536944 /nfs/dbraw/zinc/53/69/44/530536944.db2.gz BREBGLBLBWVADJ-ZDUSSCGKSA-N 0 3 391.563 0.208 20 0 GCADHN CCN1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 ZINC000066149044 530537950 /nfs/dbraw/zinc/53/79/50/530537950.db2.gz HOWFMQISCKOAHW-UHFFFAOYSA-N 0 3 397.277 0.447 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3Br)CCN2C1=O ZINC000567180730 530538807 /nfs/dbraw/zinc/53/88/07/530538807.db2.gz RWHSKAQOWNRNEP-MWLCHTKSSA-N 0 3 381.230 0.158 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000425984436 530550652 /nfs/dbraw/zinc/55/06/52/530550652.db2.gz IAWMBYAZDIUBBY-INIZCTEOSA-N 0 3 378.539 0.191 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000331187429 530541285 /nfs/dbraw/zinc/54/12/85/530541285.db2.gz JUYSDHVBASXYJM-OAHLLOKOSA-N 0 3 389.543 0.698 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000331210693 530541752 /nfs/dbraw/zinc/54/17/52/530541752.db2.gz XXMHUPUUPULUPH-CQSZACIVSA-N 0 3 375.516 0.451 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 ZINC000331203574 530541960 /nfs/dbraw/zinc/54/19/60/530541960.db2.gz RKVLVWNTEHDXJL-UHFFFAOYSA-N 0 3 389.543 0.793 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000331211886 530542581 /nfs/dbraw/zinc/54/25/81/530542581.db2.gz ZHHPIQDFTPXYNN-OAGGEKHMSA-N 0 3 375.535 0.758 20 0 GCADHN CCN(CCO)CCNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426008242 530552352 /nfs/dbraw/zinc/55/23/52/530552352.db2.gz QPEOFKSVTZJFNX-UHFFFAOYSA-N 0 3 378.539 0.193 20 0 GCADHN O=C([C@H]1C[C@H](F)CN1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000446192897 530552492 /nfs/dbraw/zinc/55/24/92/530552492.db2.gz QTBUCDMWSSLQNN-GXFFZTMASA-N 0 3 377.388 0.498 20 0 GCADHN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000575003371 530555295 /nfs/dbraw/zinc/55/52/95/530555295.db2.gz LQOXETFPHIDFIL-ZYHUDNBSSA-N 0 3 387.845 0.059 20 0 GCADHN C[C@@H](CN1CCOCC1)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000180650351 530556724 /nfs/dbraw/zinc/55/67/24/530556724.db2.gz YOEQJIQVZXNLNA-ZDUSSCGKSA-N 0 3 387.468 0.995 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3Br)CCN2C1=O ZINC000568283131 530557782 /nfs/dbraw/zinc/55/77/82/530557782.db2.gz FHLBYQHHDGOYSA-GXSJLCMTSA-N 0 3 399.220 0.297 20 0 GCADHN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568268274 530557815 /nfs/dbraw/zinc/55/78/15/530557815.db2.gz UKNZLHLHNRNYMX-VHRBIJSZSA-N 0 3 382.258 0.987 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1F ZINC000447242149 530559546 /nfs/dbraw/zinc/55/95/46/530559546.db2.gz FIHSRWVMTLEYRL-MFKMUULPSA-N 0 3 379.479 0.945 20 0 GCADHN CN(CC(=O)N1CCN(C)C[C@@H]1CN)S(=O)(=O)c1ccc(Cl)s1 ZINC000573719493 530583170 /nfs/dbraw/zinc/58/31/70/530583170.db2.gz SPMCAFXPOTZWPL-JTQLQIEISA-N 0 3 380.923 0.123 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1OC ZINC000573729248 530583177 /nfs/dbraw/zinc/58/31/77/530583177.db2.gz RRWMGPHBBOFVFC-NSHDSACASA-N 0 3 391.877 0.399 20 0 GCADHN C[C@@H](CCCO)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000568511405 530560640 /nfs/dbraw/zinc/56/06/40/530560640.db2.gz MDMQLGZDEPHIFH-AWEZNQCLSA-N 0 3 392.543 0.709 20 0 GCADHN CSc1nnc(CNC(=O)C(=O)NCCCN2CCCO[C@H](C)C2)s1 ZINC000568553487 530561101 /nfs/dbraw/zinc/56/11/01/530561101.db2.gz QFMKMSAQRPDJCS-LLVKDONJSA-N 0 3 387.531 0.493 20 0 GCADHN CC[C@@H](CS(=O)(=O)c1ccccc1)NCC1(O)CCS(=O)(=O)CC1 ZINC000568751140 530562498 /nfs/dbraw/zinc/56/24/98/530562498.db2.gz ZQUIBCUZVARKIS-AWEZNQCLSA-N 0 3 375.512 0.768 20 0 GCADHN CO[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)[C@@H](C[NH3+])C1 ZINC000568763609 530563226 /nfs/dbraw/zinc/56/32/26/530563226.db2.gz XFGDKCRCPJAGQY-ZJUUUORDSA-N 0 3 381.907 0.645 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000447776678 530563257 /nfs/dbraw/zinc/56/32/57/530563257.db2.gz CNGODLUJOZLGLR-HUUCEWRRSA-N 0 3 397.607 0.944 20 0 GCADHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000447782858 530563505 /nfs/dbraw/zinc/56/35/05/530563505.db2.gz JVVCJWLYLSGLIK-CQSZACIVSA-N 0 3 383.580 0.698 20 0 GCADHN COc1ccc(Br)cc1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000568848800 530564111 /nfs/dbraw/zinc/56/41/11/530564111.db2.gz RZYHULLYKRTLGR-CYBMUJFWSA-N 0 3 399.289 0.175 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3ccccc3I)CCN2C1=O ZINC000568883158 530564762 /nfs/dbraw/zinc/56/47/62/530564762.db2.gz DLBKQSWHLHEUEK-CABZTGNLSA-N 0 3 385.205 0.675 20 0 GCADHN COc1ccc(Br)cc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569021931 530565743 /nfs/dbraw/zinc/56/57/43/530565743.db2.gz NWHUOGYHVARXQE-CHWSQXEVSA-N 0 3 397.273 0.911 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)CCN2C1=O ZINC000569003011 530566125 /nfs/dbraw/zinc/56/61/25/530566125.db2.gz LOIIXRCQYGSQJH-KOLCDFICSA-N 0 3 399.220 0.297 20 0 GCADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1Br ZINC000569120936 530567300 /nfs/dbraw/zinc/56/73/00/530567300.db2.gz WIGCKMVDJWQREH-GXTWGEPZSA-N 0 3 381.274 0.940 20 0 GCADHN CS[C@H]1CN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)C[C@H]1N(C)C ZINC000450267412 530568396 /nfs/dbraw/zinc/56/83/96/530568396.db2.gz WWIGIBHFEHSSMP-PWSUYJOCSA-N 0 3 382.511 0.416 20 0 GCADHN Cc1nc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)sc1Br ZINC000572663855 530570404 /nfs/dbraw/zinc/57/04/04/530570404.db2.gz YLYAMDRAILSROZ-DTWKUNHWSA-N 0 3 388.291 0.667 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(NCC2=CCN(C)CC2)c(S(N)(=O)=O)c1 ZINC000572746764 530570682 /nfs/dbraw/zinc/57/06/82/530570682.db2.gz KUXWBWBWTBQJKE-UHFFFAOYSA-N 0 3 388.515 0.258 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1Cl ZINC000572734078 530570797 /nfs/dbraw/zinc/57/07/97/530570797.db2.gz UZCGDIMNTUZYKF-GFCCVEGCSA-N 0 3 375.878 0.564 20 0 GCADHN CCO[C@H]1C[C@H](NCC(=O)NCCCN(C)S(C)(=O)=O)C12CCCC2 ZINC000450961870 530571242 /nfs/dbraw/zinc/57/12/42/530571242.db2.gz BEUPZZYNWDPFIM-GJZGRUSLSA-N 0 3 375.535 0.712 20 0 GCADHN CCS[C@@H]1CCC[C@H]1NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000367015622 530573748 /nfs/dbraw/zinc/57/37/48/530573748.db2.gz LURBTOVBUGYSGW-BZUAXINKSA-N 0 3 389.587 0.582 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)Cc1cnn2cc(Br)cnc12 ZINC000639318274 530583777 /nfs/dbraw/zinc/58/37/77/530583777.db2.gz WICBUAWTERDVOC-UHFFFAOYSA-N 0 3 383.294 0.944 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H](C)CS(=O)(=O)CC ZINC000451189562 530574734 /nfs/dbraw/zinc/57/47/34/530574734.db2.gz WLIBJGJJFSRAAE-ZJUUUORDSA-N 0 3 397.437 0.955 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H](OCCO)C1 ZINC000451225473 530575403 /nfs/dbraw/zinc/57/54/03/530575403.db2.gz GMIIAMVDANQURE-MNOVXSKESA-N 0 3 377.381 0.674 20 0 GCADHN CCOC(=O)CC1(S(=O)(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000451244780 530575681 /nfs/dbraw/zinc/57/56/81/530575681.db2.gz NMZWFAIGJIAAKH-OAHLLOKOSA-N 0 3 375.535 0.665 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C3=Cc4cc(Br)ccc4OC3)CCN2C1=O ZINC000573138031 530575917 /nfs/dbraw/zinc/57/59/17/530575917.db2.gz DNEUZRKVLSCIAV-KGLIPLIRSA-N 0 3 392.253 0.995 20 0 GCADHN C[C@@H]1CN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC[C@H]1N1CCN(C)CC1 ZINC000367053662 530576023 /nfs/dbraw/zinc/57/60/23/530576023.db2.gz RXFWUKCCUGOZLB-OWCLPIDISA-N 0 3 389.587 0.391 20 0 GCADHN C[C@@H]1CN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000367053661 530576026 /nfs/dbraw/zinc/57/60/26/530576026.db2.gz RXFWUKCCUGOZLB-OAGGEKHMSA-N 0 3 389.587 0.391 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000451280211 530576455 /nfs/dbraw/zinc/57/64/55/530576455.db2.gz GIQMADAHMPERRR-GWCFXTLKSA-N 0 3 386.392 0.802 20 0 GCADHN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N(C)CCN(C)C1CCN(C)CC1 ZINC000327771820 530578789 /nfs/dbraw/zinc/57/87/89/530578789.db2.gz LSYDXCHIEBBZMW-JKSUJKDBSA-N 0 3 375.535 0.616 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000451393204 530579414 /nfs/dbraw/zinc/57/94/14/530579414.db2.gz ONTICLHBLVYCTF-NXEZZACHSA-N 0 3 395.421 0.709 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000573473707 530580492 /nfs/dbraw/zinc/58/04/92/530580492.db2.gz JXLRPBICOQZSFB-CYBMUJFWSA-N 0 3 386.543 0.918 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000451450696 530580977 /nfs/dbraw/zinc/58/09/77/530580977.db2.gz ZDRIPHQVSLGTAM-XNDJQWLSSA-N 0 3 386.392 0.786 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC000451459299 530581679 /nfs/dbraw/zinc/58/16/79/530581679.db2.gz NNXKSBAZLPVQOT-WDEREUQCSA-N 0 3 386.392 0.897 20 0 GCADHN CO[C@]1(C)C[C@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1(C)C ZINC000451497971 530582605 /nfs/dbraw/zinc/58/26/05/530582605.db2.gz WJUPBRPPTKXTIG-WMLDXEAASA-N 0 3 377.551 0.956 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000519134216 530588507 /nfs/dbraw/zinc/58/85/07/530588507.db2.gz TYSQGYDIAPBOTC-LLVKDONJSA-N 0 3 388.515 0.068 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCC[C@H]1CCC[NH2+]1 ZINC000574203249 530588567 /nfs/dbraw/zinc/58/85/67/530588567.db2.gz YEFWWFHGCNADHI-CYBMUJFWSA-N 0 3 375.516 0.747 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574466322 530591253 /nfs/dbraw/zinc/59/12/53/530591253.db2.gz DYJXSRPOBXAQIX-NWDGAFQWSA-N 0 3 381.230 0.158 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451888827 530591362 /nfs/dbraw/zinc/59/13/62/530591362.db2.gz KENBVASXYYQZLB-TUAOUCFPSA-N 0 3 390.424 0.587 20 0 GCADHN COC[C@]1(CNC(=O)NCC[N-]S(=O)(=O)c2cccs2)CCC[NH2+]1 ZINC000417908704 530593014 /nfs/dbraw/zinc/59/30/14/530593014.db2.gz CZNPQUKIUORVST-CQSZACIVSA-N 0 3 376.504 0.094 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@H]1CCCC[C@@H]1O ZINC000574691248 530593669 /nfs/dbraw/zinc/59/36/69/530593669.db2.gz CTCWLNZSXYNMKO-KBPBESRZSA-N 0 3 390.527 0.604 20 0 GCADHN CN1CCC[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000519431580 530594727 /nfs/dbraw/zinc/59/47/27/530594727.db2.gz FRKCYORGTOXFHV-CYBMUJFWSA-N 0 3 387.527 0.747 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3OC(F)F)CCN2C1=O ZINC000580572340 530615145 /nfs/dbraw/zinc/61/51/45/530615145.db2.gz SXHGKFDEMAPAIM-NXEZZACHSA-N 0 3 379.360 0.360 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000575094628 530596802 /nfs/dbraw/zinc/59/68/02/530596802.db2.gz HTZASUKPQHRMSK-HZPDHXFCSA-N 0 3 375.535 0.544 20 0 GCADHN CN1CC[C@](O)(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000575132328 530597433 /nfs/dbraw/zinc/59/74/33/530597433.db2.gz WCKYSDCLPOBYFE-AWEZNQCLSA-N 0 3 396.296 0.455 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@H]1C[NH2+]CCCO1 ZINC000417928326 530597477 /nfs/dbraw/zinc/59/74/77/530597477.db2.gz MSEGUXNIEFCFTL-SNVBAGLBSA-N 0 3 396.922 0.358 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1F ZINC000461910311 530598746 /nfs/dbraw/zinc/59/87/46/530598746.db2.gz YTFRRFXHDXQDPD-CQSZACIVSA-N 0 3 379.479 0.945 20 0 GCADHN CCN(CCN)C(=O)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000629789733 530615237 /nfs/dbraw/zinc/61/52/37/530615237.db2.gz UTFLBXRBMDSYRQ-UHFFFAOYSA-N 0 3 397.317 0.901 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000519698443 530599113 /nfs/dbraw/zinc/59/91/13/530599113.db2.gz GSIFFGWIMROMGY-OAHLLOKOSA-N 0 3 379.910 0.640 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@@H](O)C1CC1 ZINC000575312432 530599382 /nfs/dbraw/zinc/59/93/82/530599382.db2.gz QZWMUXCJBRKBLF-CYBMUJFWSA-N 0 3 376.500 0.071 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3Br)CCN2C1=O ZINC000519785396 530600636 /nfs/dbraw/zinc/60/06/36/530600636.db2.gz XPXNHBFXKPCPON-KOLCDFICSA-N 0 3 392.250 0.521 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@@H]1CCC[NH2+]C1 ZINC000417933799 530601283 /nfs/dbraw/zinc/60/12/83/530601283.db2.gz RWSKVFKOKIKWBE-SNVBAGLBSA-N 0 3 380.923 0.979 20 0 GCADHN CCN1CCN(CCC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000452300591 530602384 /nfs/dbraw/zinc/60/23/84/530602384.db2.gz TXVZACJGKAYUMI-UHFFFAOYSA-N 0 3 385.306 0.755 20 0 GCADHN CO[C@H]1CC[C@@H](NCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000575862897 530602388 /nfs/dbraw/zinc/60/23/88/530602388.db2.gz WKHGQJOYTNDJQI-KGLIPLIRSA-N 0 3 390.527 0.868 20 0 GCADHN CC(C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1)S(=O)(=O)C1CCOCC1 ZINC000532211050 530603538 /nfs/dbraw/zinc/60/35/38/530603538.db2.gz FUGCNNCGHREQRX-BXUZGUMPSA-N 0 3 390.527 0.491 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000669541359 530604443 /nfs/dbraw/zinc/60/44/43/530604443.db2.gz WJCZXJIFDMUWDP-WDEREUQCSA-N 0 3 392.934 0.931 20 0 GCADHN CC(C)(CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[NH+]1CCCCC1 ZINC000041948170 530604569 /nfs/dbraw/zinc/60/45/69/530604569.db2.gz XDELDYYLYLZQHC-UHFFFAOYSA-N 0 3 387.278 0.680 20 0 GCADHN COCCOC[C@H](O)CNCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000576102158 530605059 /nfs/dbraw/zinc/60/50/59/530605059.db2.gz VUMSGTIXWXYBBB-CQSZACIVSA-N 0 3 376.450 0.479 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000576098015 530605094 /nfs/dbraw/zinc/60/50/94/530605094.db2.gz HYSZQIRCDRBXPH-GJZGRUSLSA-N 0 3 375.539 0.383 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H]1CCCCN1CCO ZINC000452800017 530606364 /nfs/dbraw/zinc/60/63/64/530606364.db2.gz QVGZHCNLLSOWEC-ZIAGYGMSSA-N 0 3 381.564 0.010 20 0 GCADHN C[C@H](c1nccs1)N1CCN(C(=O)C2(S(C)(=O)=O)CCNCC2)CC1 ZINC000576228265 530606462 /nfs/dbraw/zinc/60/64/62/530606462.db2.gz CZQMHMKHYQFCSL-CYBMUJFWSA-N 0 3 386.543 0.515 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452787406 530606657 /nfs/dbraw/zinc/60/66/57/530606657.db2.gz ZTFRCUHIDDUPTL-HOTGVXAUSA-N 0 3 375.535 0.544 20 0 GCADHN NC(=O)CNS(=O)(=O)c1ccc(Cl)c(-c2nc([C@H]3CCCN3)no2)c1 ZINC000629675386 530607104 /nfs/dbraw/zinc/60/71/04/530607104.db2.gz RLTOAHZOLPGVSA-LLVKDONJSA-N 0 3 385.833 0.578 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)N[C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000453278058 530607478 /nfs/dbraw/zinc/60/74/78/530607478.db2.gz HMZVOJRRNKAKII-WFASDCNBSA-N 0 3 375.516 0.629 20 0 GCADHN NC(=O)CNS(=O)(=O)c1ccc(Cl)c(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000629675387 530607551 /nfs/dbraw/zinc/60/75/51/530607551.db2.gz RLTOAHZOLPGVSA-NSHDSACASA-N 0 3 385.833 0.578 20 0 GCADHN CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000329187569 530607725 /nfs/dbraw/zinc/60/77/25/530607725.db2.gz PCOMBOYRINAJFL-KBPBESRZSA-N 0 3 387.527 0.738 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CCN1C[C@H](C)O ZINC000329185159 530607970 /nfs/dbraw/zinc/60/79/70/530607970.db2.gz GDEGHEJISKWFGI-RRFJBIMHSA-N 0 3 376.519 0.272 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000454541099 530611266 /nfs/dbraw/zinc/61/12/66/530611266.db2.gz KLNVRRONPJQPNC-CYBMUJFWSA-N 0 3 387.278 0.631 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000266239523 530612567 /nfs/dbraw/zinc/61/25/67/530612567.db2.gz VWMHALBEGXVOLI-DOMZBBRYSA-N 0 3 375.516 0.555 20 0 GCADHN CC[C@@H](CCO)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000576875659 530612915 /nfs/dbraw/zinc/61/29/15/530612915.db2.gz MEYAMMSKPOIDIZ-ZDUSSCGKSA-N 0 3 378.516 0.461 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1)N(C)C ZINC000455443760 530614540 /nfs/dbraw/zinc/61/45/40/530614540.db2.gz QHRATQUQDCUFPY-HNNXBMFYSA-N 0 3 375.539 0.385 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000451573548 530584652 /nfs/dbraw/zinc/58/46/52/530584652.db2.gz JRUMPGXSTXWVOI-NXEZZACHSA-N 0 3 395.421 0.567 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@@H]1CCOC ZINC000451562035 530585123 /nfs/dbraw/zinc/58/51/23/530585123.db2.gz DSEBJVRUWLSQAV-WDEREUQCSA-N 0 3 377.381 0.938 20 0 GCADHN COCCN(C)C[C@H](O)Cn1nnc(Cc2cccc(Br)c2)n1 ZINC000574053339 530586210 /nfs/dbraw/zinc/58/62/10/530586210.db2.gz IXAPIKXSMCPAIP-AWEZNQCLSA-N 0 3 384.278 0.966 20 0 GCADHN CC(C(=O)N1CCCCCC1)S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000574171234 530588009 /nfs/dbraw/zinc/58/80/09/530588009.db2.gz VDUFDEKPIQHHOR-JTQLQIEISA-N 0 3 383.396 0.941 20 0 GCADHN CCC(CC)[C@H](CNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)N1CCCC1 ZINC000457611158 530624500 /nfs/dbraw/zinc/62/45/00/530624500.db2.gz KPSZPRMRJQPVMY-RDJZCZTQSA-N 0 3 375.535 0.736 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCCN2CCCO)s1 ZINC000457583670 530624656 /nfs/dbraw/zinc/62/46/56/530624656.db2.gz RIOMUNHJEWLGTA-GFCCVEGCSA-N 0 3 390.531 0.302 20 0 GCADHN C[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)CN1CCCC1 ZINC000330049347 530624688 /nfs/dbraw/zinc/62/46/88/530624688.db2.gz KSGFUCXZCWUESA-AWEZNQCLSA-N 0 3 381.564 0.309 20 0 GCADHN CN(CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC000330053927 530624725 /nfs/dbraw/zinc/62/47/25/530624725.db2.gz RDXZKRIUVHZAEP-UHFFFAOYSA-N 0 3 395.591 0.842 20 0 GCADHN CC(C)N1CCC(N(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330051715 530624947 /nfs/dbraw/zinc/62/49/47/530624947.db2.gz NXENPCAXCJBARK-UHFFFAOYSA-N 0 3 395.591 0.792 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CC1 ZINC000457718492 530625218 /nfs/dbraw/zinc/62/52/18/530625218.db2.gz VUYBKRKZPCBSMY-UONOGXRCSA-N 0 3 375.539 0.477 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000457787209 530625353 /nfs/dbraw/zinc/62/53/53/530625353.db2.gz ATHANVHGZXYEIP-AWEZNQCLSA-N 0 3 392.591 0.975 20 0 GCADHN CSC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CCN(C)CC1 ZINC000577909959 530625717 /nfs/dbraw/zinc/62/57/17/530625717.db2.gz NQKKZSZOTUEWOC-GFCCVEGCSA-N 0 3 389.547 0.031 20 0 GCADHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330095369 530626220 /nfs/dbraw/zinc/62/62/20/530626220.db2.gz VIXWQEUCSQGDHW-DZGCQCFKSA-N 0 3 379.548 0.156 20 0 GCADHN CCN1CCC[C@@H]1CN(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330094084 530626350 /nfs/dbraw/zinc/62/63/50/530626350.db2.gz SJNFLFVRRHBALL-OAHLLOKOSA-N 0 3 381.564 0.404 20 0 GCADHN CC(C(=O)N1CSC[C@H]1C(=O)N1CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330158421 530627745 /nfs/dbraw/zinc/62/77/45/530627745.db2.gz QAZMQSMDEVJGQO-JSGCOSHPSA-N 0 3 390.527 0.493 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCN1CC[C@H](O)C1 ZINC000629910532 530629617 /nfs/dbraw/zinc/62/96/17/530629617.db2.gz ROFIRKSYHNHFTA-ZDUSSCGKSA-N 0 3 375.878 0.191 20 0 GCADHN C[C@H]1CN(CCC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000330210993 530629865 /nfs/dbraw/zinc/62/98/65/530629865.db2.gz CRVMPROAJJMDBV-HOTGVXAUSA-N 0 3 375.535 0.775 20 0 GCADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)NCCN(C)C1CC1)C1CCCC1 ZINC000458390694 530630935 /nfs/dbraw/zinc/63/09/35/530630935.db2.gz RFYKUONSSGVPGU-OAHLLOKOSA-N 0 3 375.539 0.335 20 0 GCADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000331620448 530634527 /nfs/dbraw/zinc/63/45/27/530634527.db2.gz RCARNFCQORRZGM-ZNMIVQPWSA-N 0 3 391.559 0.770 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@@]12CCOC2 ZINC000331589150 530634714 /nfs/dbraw/zinc/63/47/14/530634714.db2.gz IRSPLCHUPJHXKU-JQWIXIFHSA-N 0 3 375.365 0.692 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000458954623 530635064 /nfs/dbraw/zinc/63/50/64/530635064.db2.gz KPHZQOINNBUBGN-KGLIPLIRSA-N 0 3 376.523 0.209 20 0 GCADHN CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000331701923 530635908 /nfs/dbraw/zinc/63/59/08/530635908.db2.gz XPFAYNQEWDKGNK-CYBMUJFWSA-N 0 3 386.543 0.966 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC000331698045 530635997 /nfs/dbraw/zinc/63/59/97/530635997.db2.gz VBZNWFWACKMVSL-ZYHUDNBSSA-N 0 3 375.365 0.692 20 0 GCADHN CCN1C[C@@H](C)N(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H](C)C1 ZINC000459451164 530637371 /nfs/dbraw/zinc/63/73/71/530637371.db2.gz AVIABJXXHNVAKQ-HZPDHXFCSA-N 0 3 376.567 0.577 20 0 GCADHN O=S1(=O)C[C@@H](NC2CCN(CC(F)(F)F)CC2)[C@H](N2CCOCC2)C1 ZINC000329707362 530619351 /nfs/dbraw/zinc/61/93/51/530619351.db2.gz LOCNLPPMJMEVBN-ZIAGYGMSSA-N 0 3 385.452 0.101 20 0 GCADHN CC(C)C[C@H](CNC(=O)C1(S(C)(=O)=O)CCNCC1)N1CCOCC1 ZINC000584352833 530620058 /nfs/dbraw/zinc/62/00/58/530620058.db2.gz BZQAPSDWZXOSPQ-OAHLLOKOSA-N 0 3 375.535 0.016 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c(OC)c1 ZINC000577505829 530621130 /nfs/dbraw/zinc/62/11/30/530621130.db2.gz KXTONKYHTOLGAW-VXGBXAGGSA-N 0 3 391.515 0.957 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c(OC)c1 ZINC000577505828 530621365 /nfs/dbraw/zinc/62/13/65/530621365.db2.gz KXTONKYHTOLGAW-RYUDHWBXSA-N 0 3 391.515 0.957 20 0 GCADHN CCN1CCC(NC(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000577534905 530621912 /nfs/dbraw/zinc/62/19/12/530621912.db2.gz GQHSQEOOPKPYRN-HNNXBMFYSA-N 0 3 375.539 0.431 20 0 GCADHN CC(C(=O)N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1)S(=O)(=O)C1CCOCC1 ZINC000329866635 530621914 /nfs/dbraw/zinc/62/19/14/530621914.db2.gz VBTZGQJDTZHEEB-FHIRATQRSA-N 0 3 375.487 0.764 20 0 GCADHN CC(C(=O)N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1)S(=O)(=O)C1CCOCC1 ZINC000329866637 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CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCCCCN1CCN(CC)CC1 ZINC000467551960 530675022 /nfs/dbraw/zinc/67/50/22/530675022.db2.gz COLOVYHRRWGMKC-HZPDHXFCSA-N 0 3 376.567 0.484 20 0 GCADHN COc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cc1Br ZINC000514591865 530685500 /nfs/dbraw/zinc/68/55/00/530685500.db2.gz FKMKRARNZSIZCX-LBPRGKRZSA-N 0 3 399.289 0.175 20 0 GCADHN COc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cc1Br ZINC000514591864 530685588 /nfs/dbraw/zinc/68/55/88/530685588.db2.gz FKMKRARNZSIZCX-GFCCVEGCSA-N 0 3 399.289 0.175 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000469151276 530685772 /nfs/dbraw/zinc/68/57/72/530685772.db2.gz XWDYGDDGOKVTPM-CYBMUJFWSA-N 0 3 388.559 0.977 20 0 GCADHN C[C@@H](CNC(=O)NCc1ccc(S(C)(=O)=O)s1)CN1CCN(C)CC1 ZINC000469237583 530687606 /nfs/dbraw/zinc/68/76/06/530687606.db2.gz HFLJLGQNHFPLEK-ZDUSSCGKSA-N 0 3 388.559 0.834 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2csnc2C(=O)OC)CC1 ZINC000469253965 530687919 /nfs/dbraw/zinc/68/79/19/530687919.db2.gz 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GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000477560106 530744673 /nfs/dbraw/zinc/74/46/73/530744673.db2.gz PIWNYRCGUOANCE-GOEBONIOSA-N 0 3 389.543 0.744 20 0 GCADHN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000579099365 530738764 /nfs/dbraw/zinc/73/87/64/530738764.db2.gz CVMDQUOCZDQIJP-GFCCVEGCSA-N 0 3 395.301 0.742 20 0 GCADHN C[C@H](CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)N(C)C1CC1 ZINC000477050101 530739496 /nfs/dbraw/zinc/73/94/96/530739496.db2.gz ULYMUUMZLJYNKG-UKRRQHHQSA-N 0 3 376.523 0.257 20 0 GCADHN COCCCN(C)CCNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000370276033 530740822 /nfs/dbraw/zinc/74/08/22/530740822.db2.gz SFFKNFRUULBDTC-UHFFFAOYSA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCSC3(CCOCC3)C2)CCSC1 ZINC000671071487 530741031 /nfs/dbraw/zinc/74/10/31/530741031.db2.gz BGBHAQGGOHSIRU-INIZCTEOSA-N 0 3 387.571 0.665 20 0 GCADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cc2c(c(Br)c1)OCO2 ZINC000579351524 530741788 /nfs/dbraw/zinc/74/17/88/530741788.db2.gz YSPASBNZMVHSKK-UHFFFAOYSA-N 0 3 395.217 0.958 20 0 GCADHN CC(C)CN1CCC[C@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000477472120 530743454 /nfs/dbraw/zinc/74/34/54/530743454.db2.gz AZBBGVUGMSLBIQ-OAHLLOKOSA-N 0 3 383.580 0.555 20 0 GCADHN CN(C)C[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000579483252 530743824 /nfs/dbraw/zinc/74/38/24/530743824.db2.gz JPANBENPWIHYAM-OAHLLOKOSA-N 0 3 387.933 0.832 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000474869996 530721718 /nfs/dbraw/zinc/72/17/18/530721718.db2.gz ALEHFOKWSXJZOH-GOEBONIOSA-N 0 3 377.551 0.956 20 0 GCADHN CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2CN)cc1 ZINC000578070194 530725532 /nfs/dbraw/zinc/72/55/32/530725532.db2.gz LDXQTBFPEMOTBC-UONOGXRCSA-N 0 3 390.527 0.997 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c(OC)c1 ZINC000368634342 530725557 /nfs/dbraw/zinc/72/55/57/530725557.db2.gz CRZLKARYIVOMJC-JQWIXIFHSA-N 0 3 395.478 0.435 20 0 GCADHN O=S(=O)(NC[C@@H]1C[C@H](F)CN1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000368639523 530725825 /nfs/dbraw/zinc/72/58/25/530725825.db2.gz VWVPQMLFZHUFPV-JQWIXIFHSA-N 0 3 377.463 0.106 20 0 GCADHN O=S(=O)([N-][C@H]1CCC[NH2+]CC1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000369064080 530728660 /nfs/dbraw/zinc/72/86/60/530728660.db2.gz LKONPUULAOZCAN-AWEZNQCLSA-N 0 3 387.527 0.892 20 0 GCADHN C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000369308415 530731211 /nfs/dbraw/zinc/73/12/11/530731211.db2.gz TVMGAHORMDHWDL-SOUVJXGZSA-N 0 3 375.535 0.950 20 0 GCADHN CN(C)CCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000476296415 530731232 /nfs/dbraw/zinc/73/12/32/530731232.db2.gz OSROBYOQMFVRGE-UHFFFAOYSA-N 0 3 377.894 0.655 20 0 GCADHN C[C@H](C(=O)NC[C@H]1CNCCO1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000578434328 530731390 /nfs/dbraw/zinc/73/13/90/530731390.db2.gz OSBOZPRSUMJSBY-MWLCHTKSSA-N 0 3 396.241 0.538 20 0 GCADHN CN(C)CCOCCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000476349943 530731803 /nfs/dbraw/zinc/73/18/03/530731803.db2.gz JVARSGDFBLWJBC-UHFFFAOYSA-N 0 3 390.531 0.060 20 0 GCADHN CCCN(C(=O)[C@H](C)N[C@H](C)[C@@H](C)C(=O)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000578454863 530731898 /nfs/dbraw/zinc/73/18/98/530731898.db2.gz BFGMTVVXALGJCV-KBXIAJHMSA-N 0 3 376.519 0.978 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000476399289 530732514 /nfs/dbraw/zinc/73/25/14/530732514.db2.gz TZCIJMQMLGKJCT-HUUCEWRRSA-N 0 3 376.519 0.873 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)CCSC1 ZINC000671070753 530732785 /nfs/dbraw/zinc/73/27/85/530732785.db2.gz HVKIYKPESAHWEU-INIZCTEOSA-N 0 3 378.489 0.386 20 0 GCADHN CS[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1N(C)C ZINC000476452575 530733272 /nfs/dbraw/zinc/73/32/72/530733272.db2.gz PJUCSKAKJBHSBB-HZPDHXFCSA-N 0 3 385.555 0.983 20 0 GCADHN [NH3+]C1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000418149215 530749677 /nfs/dbraw/zinc/74/96/77/530749677.db2.gz AZTWBNXROGGKEX-UHFFFAOYSA-N 0 3 378.857 0.890 20 0 GCADHN C[NH2+][C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418150846 530750242 /nfs/dbraw/zinc/75/02/42/530750242.db2.gz DNOCYRYNUJLVLU-LLVKDONJSA-N 0 3 378.857 0.761 20 0 GCADHN C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418164328 530750386 /nfs/dbraw/zinc/75/03/86/530750386.db2.gz HKVJHWRBXQVVAS-GHMZBOCLSA-N 0 3 376.429 0.622 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)NCC1C[NH2+]C1 ZINC000418164870 530750708 /nfs/dbraw/zinc/75/07/08/530750708.db2.gz IVBJSEWZKRGVSV-UHFFFAOYSA-N 0 3 381.285 0.790 20 0 GCADHN C[NH2+]C[C@H](C)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000418174802 530751537 /nfs/dbraw/zinc/75/15/37/530751537.db2.gz SDAKAYZJDMMKPK-JTQLQIEISA-N 0 3 380.873 0.912 20 0 GCADHN C[C@@]1(C[NH3+])CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418180987 530752131 /nfs/dbraw/zinc/75/21/31/530752131.db2.gz YVKDVQSTQAKXED-HNNXBMFYSA-N 0 3 376.429 0.623 20 0 GCADHN [NH3+]C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000418170770 530752500 /nfs/dbraw/zinc/75/25/00/530752500.db2.gz NLUCZVXFVPVQAC-GFCCVEGCSA-N 0 3 378.857 0.794 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1C ZINC000480299078 530764070 /nfs/dbraw/zinc/76/40/70/530764070.db2.gz ACVQDVITZXFGTA-UHFFFAOYSA-N 0 3 375.516 0.667 20 0 GCADHN C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)CCN1C ZINC000581016812 530752892 /nfs/dbraw/zinc/75/28/92/530752892.db2.gz HHBOZNXYZNYLTJ-NEPJUHHUSA-N 0 3 390.531 0.479 20 0 GCADHN C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)CCN1C ZINC000581016814 530753125 /nfs/dbraw/zinc/75/31/25/530753125.db2.gz HHBOZNXYZNYLTJ-RYUDHWBXSA-N 0 3 390.531 0.479 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC[C@H](O)COCc1cccs1 ZINC000581126974 530754028 /nfs/dbraw/zinc/75/40/28/530754028.db2.gz IBHMMCNOBQDCEO-GJZGRUSLSA-N 0 3 391.559 0.876 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)CCOc3cccc(Br)c3)CCN2C1=O ZINC000581141865 530754659 /nfs/dbraw/zinc/75/46/59/530754659.db2.gz CMAULSNPXQYUTK-JSGCOSHPSA-N 0 3 382.258 0.988 20 0 GCADHN CN1CC[C@H]2[C@H](CCCN2C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000371561238 530754788 /nfs/dbraw/zinc/75/47/88/530754788.db2.gz HYQRRAOSUVMMNY-CABCVRRESA-N 0 3 390.575 0.491 20 0 GCADHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1nn(C)cc1I ZINC000418254923 530755807 /nfs/dbraw/zinc/75/58/07/530755807.db2.gz LFJKJVUCKFQYPQ-DTWKUNHWSA-N 0 3 377.230 0.917 20 0 GCADHN C[C@H]1NCCN(C(=O)NCc2nn(C)cc2I)[C@H]1C ZINC000418254922 530756002 /nfs/dbraw/zinc/75/60/02/530756002.db2.gz LFJKJVUCKFQYPQ-BDAKNGLRSA-N 0 3 377.230 0.917 20 0 GCADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CCN2CCCS2(=O)=O)CC1 ZINC000581275611 530756600 /nfs/dbraw/zinc/75/66/00/530756600.db2.gz VEKVZIOZDWFGMI-CQSZACIVSA-N 0 3 381.564 0.404 20 0 GCADHN COCC[C@H](C)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000641600181 530759790 /nfs/dbraw/zinc/75/97/90/530759790.db2.gz HDFVFNIBLSHPOY-JYJNAYRXSA-N 0 3 377.551 0.908 20 0 GCADHN O=C(C[C@H]1C[NH2+]CCO1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000581547099 530760069 /nfs/dbraw/zinc/76/00/69/530760069.db2.gz YAYPQVHZFZSKIV-NSHDSACASA-N 0 3 379.841 0.252 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)C[C@@H]1CCOC1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000641599678 530760378 /nfs/dbraw/zinc/76/03/78/530760378.db2.gz YOMDFWZCAADSSY-OAGGEKHMSA-N 0 3 375.535 0.520 20 0 GCADHN O=S(=O)(CCCN1CCCC1)N(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000641600955 530760737 /nfs/dbraw/zinc/76/07/37/530760737.db2.gz YOKZRILWZYRJCL-QGZVFWFLSA-N 0 3 391.603 0.942 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)CCOC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000641599983 530761432 /nfs/dbraw/zinc/76/14/32/530761432.db2.gz HDAJSWGUJQZXET-CVEARBPZSA-N 0 3 377.551 0.908 20 0 GCADHN COCCN(CCOC)S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000372075789 530762130 /nfs/dbraw/zinc/76/21/30/530762130.db2.gz RSMNWWVVBLWCPJ-NVXWUHKLSA-N 0 3 375.535 0.775 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000477572100 530745150 /nfs/dbraw/zinc/74/51/50/530745150.db2.gz FIKYJJPDMCMDCO-TZMCWYRMSA-N 0 3 394.563 0.504 20 0 GCADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000641440130 530746000 /nfs/dbraw/zinc/74/60/00/530746000.db2.gz DTNGNFCMJBPBAD-CHWSQXEVSA-N 0 3 375.516 0.698 20 0 GCADHN CC(C)(CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)CN1CCCC1 ZINC000480752350 530770056 /nfs/dbraw/zinc/77/00/56/530770056.db2.gz GQAXMCGUSCRZJM-UHFFFAOYSA-N 0 3 375.516 0.734 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NCCN(C(C)C)C(C)C)c1 ZINC000064573221 530787524 /nfs/dbraw/zinc/78/75/24/530787524.db2.gz HRRTUNSIQDXAFA-UHFFFAOYSA-N 0 3 377.532 0.992 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481193494 530776021 /nfs/dbraw/zinc/77/60/21/530776021.db2.gz TYRNVBSZZDFTKS-GXTWGEPZSA-N 0 3 383.605 0.601 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000582377574 530777772 /nfs/dbraw/zinc/77/77/72/530777772.db2.gz NSHYKOPJSXLECV-WBVHZDCISA-N 0 3 375.535 0.952 20 0 GCADHN CC(C(=O)NC1CCCCC1)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481479157 530778100 /nfs/dbraw/zinc/77/81/00/530778100.db2.gz JQRUUZWBDRJFEK-LLVKDONJSA-N 0 3 388.515 0.986 20 0 GCADHN CCOC(=O)C[C@@](C)(NCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000481692537 530779917 /nfs/dbraw/zinc/77/99/17/530779917.db2.gz XERPLXIRSUKLOT-WMLDXEAASA-N 0 3 376.519 0.980 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)cc1C ZINC000045801571 530780331 /nfs/dbraw/zinc/78/03/31/530780331.db2.gz POXWOTIHQQMEAO-AWEZNQCLSA-N 0 3 388.511 0.569 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)C1CCOCC1)[C@@H](C)CS(=O)(=O)CC ZINC000481892367 530782017 /nfs/dbraw/zinc/78/20/17/530782017.db2.gz LXOGXFPSTHGCEN-STQMWFEESA-N 0 3 383.532 0.640 20 0 GCADHN CC[C@H](NCCN1C(=O)CNC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482001982 530782732 /nfs/dbraw/zinc/78/27/32/530782732.db2.gz OBKWEZDOWXUJKU-LBPRGKRZSA-N 0 3 388.877 0.841 20 0 GCADHN CC[C@@H](NCCN1C(=O)CNC1=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482001981 530782780 /nfs/dbraw/zinc/78/27/80/530782780.db2.gz OBKWEZDOWXUJKU-GFCCVEGCSA-N 0 3 388.877 0.841 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000646209065 530785533 /nfs/dbraw/zinc/78/55/33/530785533.db2.gz UPGDADIXCFLZPO-LBPRGKRZSA-N 0 3 375.516 0.575 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)NCCCN(C)CCOC)CC1 ZINC000061854839 530786283 /nfs/dbraw/zinc/78/62/83/530786283.db2.gz OVJKXRGNKPWCCH-UHFFFAOYSA-N 0 3 378.539 0.458 20 0 GCADHN Cc1nn(C)c(CN[C@@H]2CCN(CCN3CCOCC3)C2)c1Br ZINC000373843031 530786464 /nfs/dbraw/zinc/78/64/64/530786464.db2.gz SYSFAJYMAHYEES-CQSZACIVSA-N 0 3 386.338 0.987 20 0 GCADHN CC(C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)S(=O)(=O)C1CCOCC1 ZINC000482838489 530786599 /nfs/dbraw/zinc/78/65/99/530786599.db2.gz LVGGDKBREZZVRG-BPLDGKMQSA-N 0 3 393.527 0.537 20 0 GCADHN CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)CCCN(C)C ZINC000631693148 530766060 /nfs/dbraw/zinc/76/60/60/530766060.db2.gz SDCPDOBOOBPJGS-UHFFFAOYSA-N 0 3 391.559 0.886 20 0 GCADHN CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)CCCN2CCCC2)cc1 ZINC000631693866 530766825 /nfs/dbraw/zinc/76/68/25/530766825.db2.gz XFQURYRBVXVZDR-UHFFFAOYSA-N 0 3 389.543 0.641 20 0 GCADHN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1 ZINC000480633393 530767544 /nfs/dbraw/zinc/76/75/44/530767544.db2.gz FFICSSWQMUXALM-NUEKZKHPSA-N 0 3 376.519 0.683 20 0 GCADHN [NH3+][C@H]1CCC[C@@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418175335 530801885 /nfs/dbraw/zinc/80/18/85/530801885.db2.gz SVRPACPMPXCXGO-NWDGAFQWSA-N 0 3 376.429 0.812 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000375582677 530803202 /nfs/dbraw/zinc/80/32/02/530803202.db2.gz LLVDAHGIKIMUQW-CYBMUJFWSA-N 0 3 387.527 0.890 20 0 GCADHN CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccncc2)CC1 ZINC000641913378 530803267 /nfs/dbraw/zinc/80/32/67/530803267.db2.gz FRZUAKMEPHTRKX-UHFFFAOYSA-N 0 3 381.479 0.996 20 0 GCADHN COCCN(C[C@@H](O)C(F)(F)F)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000655197282 530804430 /nfs/dbraw/zinc/80/44/30/530804430.db2.gz AQLFBWIRKWQPLM-CMPLNLGQSA-N 0 3 391.408 0.367 20 0 GCADHN COCCN(C[C@H](O)C(F)(F)F)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000655197283 530804660 /nfs/dbraw/zinc/80/46/60/530804660.db2.gz AQLFBWIRKWQPLM-JQWIXIFHSA-N 0 3 391.408 0.367 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)NCCCCCS(C)(=O)=O)CC1 ZINC000483791433 530790721 /nfs/dbraw/zinc/79/07/21/530790721.db2.gz SFUVOIYCCHXXIU-UHFFFAOYSA-N 0 3 376.567 0.917 20 0 GCADHN COCCN(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000067274197 530791127 /nfs/dbraw/zinc/79/11/27/530791127.db2.gz RXXJVHJFENADNE-UHFFFAOYSA-N 0 3 393.893 0.830 20 0 GCADHN CCCCN(C(=O)CN[C@@H]1CCOC[C@H]1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000484648016 530794306 /nfs/dbraw/zinc/79/43/06/530794306.db2.gz ZMKAYUOBTFUVQH-BZUAXINKSA-N 0 3 376.519 0.586 20 0 GCADHN COCCOCCOCCS(=O)(=O)N1CCCC2(CCN(C)CC2)C1 ZINC000374702207 530795143 /nfs/dbraw/zinc/79/51/43/530795143.db2.gz IISRGUWRVAQRRR-UHFFFAOYSA-N 0 3 378.535 0.804 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490153516 530827222 /nfs/dbraw/zinc/82/72/22/530827222.db2.gz VFJQSQCHAVRWGG-AWEZNQCLSA-N 0 3 375.539 0.335 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCN(C)[C@H](C)CC ZINC000490462026 530829194 /nfs/dbraw/zinc/82/91/94/530829194.db2.gz XJWVAQOKSHOPSN-CYBMUJFWSA-N 0 3 377.532 0.993 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N(C)C(C)(C)CN1CCCCCC1 ZINC000492357626 530837001 /nfs/dbraw/zinc/83/70/01/530837001.db2.gz OTUIVQPUWIMLJP-UHFFFAOYSA-N 0 3 383.580 0.842 20 0 GCADHN COCCCS(=O)(=O)NCCN1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000377957848 530832391 /nfs/dbraw/zinc/83/23/91/530832391.db2.gz TZKSBATTXKFLGK-BBWFWOEESA-N 0 3 377.551 0.516 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@H]([C@H]2CCOC2)C1)S(C)(=O)=O ZINC000378239609 530836016 /nfs/dbraw/zinc/83/60/16/530836016.db2.gz WZVCJBDIOBEWFK-HOTGVXAUSA-N 0 3 375.535 0.521 20 0 GCADHN CCC[C@@H](C)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000492102549 530836176 /nfs/dbraw/zinc/83/61/76/530836176.db2.gz ZPBATFIORSQLHQ-GHMZBOCLSA-N 0 3 376.504 0.842 20 0 GCADHN CC(C(=O)NCC1(S(C)(=O)=O)CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000618485844 530807514 /nfs/dbraw/zinc/80/75/14/530807514.db2.gz VDUPVLSUGNSYLS-ZDUSSCGKSA-N 0 3 395.543 0.832 20 0 GCADHN CCOCCCN1CC[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)[C@@H](C)C1 ZINC000486989677 530810518 /nfs/dbraw/zinc/81/05/18/530810518.db2.gz UUGAKXGOHUWMDB-LSDHHAIUSA-N 0 3 379.523 0.453 20 0 GCADHN CS[C@H]1CN(C(=O)Cc2cc(S(N)(=O)=O)cn2C)C[C@H]1N1CCCC1 ZINC000487147413 530811175 /nfs/dbraw/zinc/81/11/75/530811175.db2.gz JBGIIMJXVBHVRJ-CABCVRRESA-N 0 3 386.543 0.253 20 0 GCADHN CC(C)[C@@H]1CN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CCN1C ZINC000487956552 530815653 /nfs/dbraw/zinc/81/56/53/530815653.db2.gz LTTBZAMQZQGJIN-INIZCTEOSA-N 0 3 376.567 0.435 20 0 GCADHN CCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000619898254 530823614 /nfs/dbraw/zinc/82/36/14/530823614.db2.gz IUALJNIXUBPXIA-CYBMUJFWSA-N 0 3 386.543 0.966 20 0 GCADHN COCCN(C)C[C@H](O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000656150778 530825522 /nfs/dbraw/zinc/82/55/22/530825522.db2.gz WBRSAIKPJOVYLT-AWEZNQCLSA-N 0 3 389.543 0.897 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000490089982 530826483 /nfs/dbraw/zinc/82/64/83/530826483.db2.gz GZNUFEXHWLFUCV-AWEZNQCLSA-N 0 3 375.516 0.403 20 0 GCADHN CC[C@@H](O)[C@H](CC)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000582666198 530846720 /nfs/dbraw/zinc/84/67/20/530846720.db2.gz KXCACAZDIVPRNH-UONOGXRCSA-N 0 3 392.543 0.850 20 0 GCADHN CN(C)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000068340609 530849971 /nfs/dbraw/zinc/84/99/71/530849971.db2.gz ZSTSNUFCDGQGNA-ZDUSSCGKSA-N 0 3 386.543 0.918 20 0 GCADHN CS[C@@H]1CN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)C[C@@H]1N(C)C ZINC000495654884 530849958 /nfs/dbraw/zinc/84/99/58/530849958.db2.gz MUAGBJFEPBXFSM-PFSRBDOWSA-N 0 3 377.576 0.989 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000496633036 530850551 /nfs/dbraw/zinc/85/05/51/530850551.db2.gz QYHQBKVGJWXYFB-KFWWJZLASA-N 0 3 376.523 0.257 20 0 GCADHN CCS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000499895661 530857021 /nfs/dbraw/zinc/85/70/21/530857021.db2.gz LZNFOSPCYRAJCC-MRXNPFEDSA-N 0 3 375.535 0.617 20 0 GCADHN CCN(Cc1ccc(CN(C)C)cc1)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000500059981 530858329 /nfs/dbraw/zinc/85/83/29/530858329.db2.gz OMQZDUDCNUKXRG-UHFFFAOYSA-N 0 3 389.543 0.545 20 0 GCADHN CCN(CC)S(=O)(=O)c1c(C)nn(C[C@H](O)CN(C)CCOC)c1C ZINC000583214334 530865237 /nfs/dbraw/zinc/86/52/37/530865237.db2.gz NKDAWTVWAJJDPN-OAHLLOKOSA-N 0 3 376.523 0.470 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000530426636 530866627 /nfs/dbraw/zinc/86/66/27/530866627.db2.gz OREADSHTUPQPEQ-GFCCVEGCSA-N 0 3 392.547 0.117 20 0 GCADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H](C)NS(C)(=O)=O ZINC000610414692 530870724 /nfs/dbraw/zinc/87/07/24/530870724.db2.gz IYKNOADHMHLYPG-KBPBESRZSA-N 0 3 377.507 0.190 20 0 GCADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000610414699 530870739 /nfs/dbraw/zinc/87/07/39/530870739.db2.gz IYKNOADHMHLYPG-ZIAGYGMSSA-N 0 3 377.507 0.190 20 0 GCADHN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516585585 530871489 /nfs/dbraw/zinc/87/14/89/530871489.db2.gz WFFBZMOOLMBNJQ-PWSUYJOCSA-N 0 3 387.845 0.059 20 0 GCADHN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516585583 530871546 /nfs/dbraw/zinc/87/15/46/530871546.db2.gz WFFBZMOOLMBNJQ-CMPLNLGQSA-N 0 3 387.845 0.059 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@H](O)C(F)F)cc1Cl ZINC000494231652 530842508 /nfs/dbraw/zinc/84/25/08/530842508.db2.gz UKKAAQZIABIQKZ-NSHDSACASA-N 0 3 379.791 0.961 20 0 GCADHN [NH3+]C[C@@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000582477623 530843999 /nfs/dbraw/zinc/84/39/99/530843999.db2.gz CJEOHYCPRMOIAD-NSHDSACASA-N 0 3 376.429 0.623 20 0 GCADHN [NH3+]C[C@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000582477620 530844259 /nfs/dbraw/zinc/84/42/59/530844259.db2.gz CJEOHYCPRMOIAD-LLVKDONJSA-N 0 3 376.429 0.623 20 0 GCADHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000480735466 530901643 /nfs/dbraw/zinc/90/16/43/530901643.db2.gz FZYLUGBSYOYBDM-CYBMUJFWSA-N 0 3 377.532 0.946 20 0 GCADHN Nc1nc(N)nc(N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000623874997 530910459 /nfs/dbraw/zinc/91/04/59/530910459.db2.gz VLUOIRIEDGIRIO-MRVPVSSYSA-N 0 3 393.249 0.709 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(F)cccc1F ZINC000502872862 530877796 /nfs/dbraw/zinc/87/77/96/530877796.db2.gz RMLDSARYYABQNI-UWVGGRQHSA-N 0 3 381.422 0.571 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000502973307 530878355 /nfs/dbraw/zinc/87/83/55/530878355.db2.gz ZKHCEUHMRDUCJO-MRXNPFEDSA-N 0 3 398.257 0.474 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)CS(=O)(=O)CC)CC1 ZINC000503581737 530882353 /nfs/dbraw/zinc/88/23/53/530882353.db2.gz QVVSVQQKUSTZDR-AWEZNQCLSA-N 0 3 376.523 0.005 20 0 GCADHN CN(CCCNC(=O)CN1CCN(CCC(C)(C)C)CC1)S(C)(=O)=O ZINC000079215874 530888113 /nfs/dbraw/zinc/88/81/13/530888113.db2.gz ZBFZQBZXPJDOLV-UHFFFAOYSA-N 0 3 376.567 0.438 20 0 GCADHN O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1)Nc1cn[nH]c1 ZINC000349519698 530888851 /nfs/dbraw/zinc/88/88/51/530888851.db2.gz JAVBHYQDKCJDSD-CQSZACIVSA-N 0 3 391.519 0.041 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1F ZINC000622013370 530888895 /nfs/dbraw/zinc/88/88/95/530888895.db2.gz OKRBESJYWFNJFS-YGRLFVJLSA-N 0 3 377.463 0.699 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000504561466 530890387 /nfs/dbraw/zinc/89/03/87/530890387.db2.gz RSUNFDDSVMVPPC-PUAOIOHZSA-N 0 3 389.905 0.586 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000504561464 530890844 /nfs/dbraw/zinc/89/08/44/530890844.db2.gz RSUNFDDSVMVPPC-IVCQMTBJSA-N 0 3 389.905 0.586 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000505503589 530894324 /nfs/dbraw/zinc/89/43/24/530894324.db2.gz SDCDNOGIUCWHQZ-GOEBONIOSA-N 0 3 377.576 0.992 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000511156526 530933792 /nfs/dbraw/zinc/93/37/92/530933792.db2.gz IANYOEYHHQIPHF-RBSFLKMASA-N 0 3 382.548 0.420 20 0 GCADHN COc1ccccc1[C@@H](N)CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000646603719 530915075 /nfs/dbraw/zinc/91/50/75/530915075.db2.gz SGCGKAKGEGKCIA-NSHDSACASA-N 0 3 397.229 0.536 20 0 GCADHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000390466036 530915265 /nfs/dbraw/zinc/91/52/65/530915265.db2.gz AGMNRQTYLDCERH-JTQLQIEISA-N 0 3 378.223 0.767 20 0 GCADHN C[C@H](Oc1ccccc1Br)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584481015 530915718 /nfs/dbraw/zinc/91/57/18/530915718.db2.gz WWKOMFAFSPNGGQ-GVXVVHGQSA-N 0 3 382.258 0.987 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cncc(I)c1 ZINC000584485719 530916198 /nfs/dbraw/zinc/91/61/98/530916198.db2.gz XWDZOETXIZBTNS-AWEZNQCLSA-N 0 3 387.221 0.873 20 0 GCADHN C[C@H](CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)N(C)C ZINC000623976044 530916313 /nfs/dbraw/zinc/91/63/13/530916313.db2.gz WVJJHBZHEABWKB-LLVKDONJSA-N 0 3 375.516 0.573 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCCN1CCC(OC)CC1 ZINC000610571678 530916308 /nfs/dbraw/zinc/91/63/08/530916308.db2.gz UYIRTHALWJAEQE-AWEZNQCLSA-N 0 3 381.564 0.274 20 0 GCADHN COCCN(C)C[C@@H](O)CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000584537537 530918386 /nfs/dbraw/zinc/91/83/86/530918386.db2.gz KNOHJKZXCQLCOU-LLVKDONJSA-N 0 3 383.440 0.618 20 0 GCADHN O=S(=O)(NC[C@H]1CCCN(C[C@@H](O)COC2CCOCC2)C1)C1CC1 ZINC000584553253 530918574 /nfs/dbraw/zinc/91/85/74/530918574.db2.gz MCDUFKZJVRTSPK-HUUCEWRRSA-N 0 3 376.519 0.337 20 0 GCADHN Cc1cc(N2CCC[C@@H](Nc3nc(N)nc(N)n3)C2=O)ccc1Br ZINC000624105082 530919630 /nfs/dbraw/zinc/91/96/30/530919630.db2.gz BCGDDEBIBZXEGY-LLVKDONJSA-N 0 3 392.261 0.797 20 0 GCADHN NS(=O)(=O)N1CCC(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000032762919 530921509 /nfs/dbraw/zinc/92/15/09/530921509.db2.gz FANOPDUFTJSBNB-AWEZNQCLSA-N 0 3 386.543 0.917 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCCN(C)S(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000584716970 530922484 /nfs/dbraw/zinc/92/24/84/530922484.db2.gz PZDZTORAPVGBRL-RBSFLKMASA-N 0 3 391.559 0.428 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c(Cl)ccnc43)CCN2C1=O ZINC000584732516 530923055 /nfs/dbraw/zinc/92/30/55/530923055.db2.gz ORTXWHKZWIRNEX-MFKMUULPSA-N 0 3 380.857 0.821 20 0 GCADHN COc1ccc(C[C@H](CO)CNc2nc(N)nc(N)n2)cc1Br ZINC000624258729 530923160 /nfs/dbraw/zinc/92/31/60/530923160.db2.gz ROCQNFLUCLBIRX-VIFPVBQESA-N 0 3 383.250 0.153 20 0 GCADHN Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419301033 530957487 /nfs/dbraw/zinc/95/74/87/530957487.db2.gz NGEYPZNFMLWCHW-CYBMUJFWSA-N 0 3 384.274 0.787 20 0 GCADHN NCCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000419509814 530959151 /nfs/dbraw/zinc/95/91/51/530959151.db2.gz UXNBPJXXDFQKNK-UHFFFAOYSA-N 0 3 384.274 0.688 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000632112954 530959340 /nfs/dbraw/zinc/95/93/40/530959340.db2.gz NPACGJDBSFSSNR-KBPBESRZSA-N 0 3 379.473 0.990 20 0 GCADHN COCCCN1CCC(NC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000517249812 530959515 /nfs/dbraw/zinc/95/95/15/530959515.db2.gz QLGWDQYMLDDYRP-HNNXBMFYSA-N 0 3 375.535 0.954 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(CCN)CCO)Oc1ccc(Br)cc1 ZINC000419628049 530959940 /nfs/dbraw/zinc/95/99/40/530959940.db2.gz YTXHNKOXFFJATD-LLVKDONJSA-N 0 3 388.262 0.112 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(CNS(=O)(=O)CCCN(C)C)cc1 ZINC000632151527 530960812 /nfs/dbraw/zinc/96/08/12/530960812.db2.gz KFDPFMUWIASSDD-UHFFFAOYSA-N 0 3 391.559 0.992 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCc1cc(Br)cc2c1OCC2)C1CC1 ZINC000419683614 530960929 /nfs/dbraw/zinc/96/09/29/530960929.db2.gz XLLNAWALAAEZJT-CYBMUJFWSA-N 0 3 382.258 0.854 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(Br)s1 ZINC000419710289 530961777 /nfs/dbraw/zinc/96/17/77/530961777.db2.gz NURBLQHREBKINP-DTWKUNHWSA-N 0 3 376.276 0.792 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(Br)s1 ZINC000419710293 530961956 /nfs/dbraw/zinc/96/19/56/530961956.db2.gz NURBLQHREBKINP-RKDXNWHRSA-N 0 3 376.276 0.792 20 0 GCADHN CC(C)(CNC(=O)C(=O)N(CCN)CCO)c1ccc(Br)cc1 ZINC000419813070 530962668 /nfs/dbraw/zinc/96/26/68/530962668.db2.gz JPDVCZMLOYLXIQ-UHFFFAOYSA-N 0 3 386.290 0.623 20 0 GCADHN CN(C)CCCS(=O)(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000632234217 530963193 /nfs/dbraw/zinc/96/31/93/530963193.db2.gz NRMUAOWKUMDBPZ-UHFFFAOYSA-N 0 3 393.506 0.737 20 0 GCADHN CN(C(=O)C(=O)NC[C@@H](N)C1CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000419871428 530963592 /nfs/dbraw/zinc/96/35/92/530963592.db2.gz SWXNQBTXSVBMEP-OLZOCXBDSA-N 0 3 385.873 0.480 20 0 GCADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCC(F)(F)CN ZINC000420177591 530965858 /nfs/dbraw/zinc/96/58/58/530965858.db2.gz SKXGQXUWZPUNPB-UHFFFAOYSA-N 0 3 376.835 0.940 20 0 GCADHN CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)CCCN(C)C)CC1 ZINC000632273955 530964530 /nfs/dbraw/zinc/96/45/30/530964530.db2.gz CSGRRQNJLCFMDG-UHFFFAOYSA-N 0 3 398.595 0.252 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)s1 ZINC000418815398 530937201 /nfs/dbraw/zinc/93/72/01/530937201.db2.gz XASDNIYCVYJSCE-AAEUAGOBSA-N 0 3 387.527 0.744 20 0 GCADHN CCC(CC)[C@H](CNC(=O)NC[C@H]1CS(=O)(=O)CCO1)N1CCCC1 ZINC000511431268 530937512 /nfs/dbraw/zinc/93/75/12/530937512.db2.gz QZNGDYNYKYEUKJ-HOTGVXAUSA-N 0 3 375.535 1.000 20 0 GCADHN NCCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000418823317 530937561 /nfs/dbraw/zinc/93/75/61/530937561.db2.gz RYONXQVPPQCPRM-UHFFFAOYSA-N 0 3 384.274 0.688 20 0 GCADHN CC[C@@H](O)[C@H]1CCCCN1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000511569557 530937914 /nfs/dbraw/zinc/93/79/14/530937914.db2.gz FGESBINCXQVCDV-HZPDHXFCSA-N 0 3 377.551 0.788 20 0 GCADHN CC[C@H](O)[C@@H]1CCCCN1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000511569556 530937959 /nfs/dbraw/zinc/93/79/59/530937959.db2.gz FGESBINCXQVCDV-HOTGVXAUSA-N 0 3 377.551 0.788 20 0 GCADHN C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418847408 530942825 /nfs/dbraw/zinc/94/28/25/530942825.db2.gz VIZPIXDXYKFQKV-SMDDNHRTSA-N 0 3 384.274 0.601 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000512389395 530942879 /nfs/dbraw/zinc/94/28/79/530942879.db2.gz LHGOAXUWATVJJR-JKSUJKDBSA-N 0 3 375.535 0.544 20 0 GCADHN O=C(NCCc1ccc(F)c(Br)c1)C(=O)NC[C@H]1CNCCO1 ZINC000418852067 530944206 /nfs/dbraw/zinc/94/42/06/530944206.db2.gz UNULXLHSTJQFDG-LLVKDONJSA-N 0 3 388.237 0.352 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCCc1ccc(F)c(Br)c1 ZINC000418853885 530944408 /nfs/dbraw/zinc/94/44/08/530944408.db2.gz YOKGXPKFTBSGGS-UHFFFAOYSA-N 0 3 376.226 0.027 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000631662664 530944900 /nfs/dbraw/zinc/94/49/00/530944900.db2.gz VBLOZVJWXUYNEH-UHFFFAOYSA-N 0 3 389.543 0.416 20 0 GCADHN CN(C(=O)C(=O)N[C@H](CN)C1CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000420053996 530965119 /nfs/dbraw/zinc/96/51/19/530965119.db2.gz FEDJFDULYAOIKT-OLZOCXBDSA-N 0 3 385.873 0.480 20 0 GCADHN CCN(CC)CCN(CC(C)C)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000631739709 530947066 /nfs/dbraw/zinc/94/70/66/530947066.db2.gz ATRLYMYOIKYVQZ-INIZCTEOSA-N 0 3 397.607 0.898 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000631790393 530948265 /nfs/dbraw/zinc/94/82/65/530948265.db2.gz PMHWORQJGLVKJX-UHFFFAOYSA-N 0 3 389.543 0.665 20 0 GCADHN CN(C1CC[NH2+]CC1)S(=O)(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000631926468 530951034 /nfs/dbraw/zinc/95/10/34/530951034.db2.gz YXDKSYUFDGUDRE-OAHLLOKOSA-N 0 3 386.905 0.964 20 0 GCADHN CN(C1CC[NH2+]CC1)S(=O)(=O)[N-][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000631918818 530951344 /nfs/dbraw/zinc/95/13/44/530951344.db2.gz NAVGZCCGVWFGFS-AWEZNQCLSA-N 0 3 386.905 0.964 20 0 GCADHN O=C(NCCOc1cccc(Br)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000418951439 530951896 /nfs/dbraw/zinc/95/18/96/530951896.db2.gz PYYMSKPTYTXHEN-ZDUSSCGKSA-N 0 3 386.246 0.049 20 0 GCADHN NC[C@@H]1CCCCN1C(=O)C(=O)NCCCCn1cc(Br)cn1 ZINC000418950297 530951978 /nfs/dbraw/zinc/95/19/78/530951978.db2.gz GUQDQBMLHSSAMH-ZDUSSCGKSA-N 0 3 386.294 0.882 20 0 GCADHN CCN(C1CCN(S(=O)(=O)CCCN2CCCC2)CC1)S(C)(=O)=O ZINC000631930078 530952382 /nfs/dbraw/zinc/95/23/82/530952382.db2.gz WOUNCYPZZPDIII-UHFFFAOYSA-N 0 3 381.564 0.548 20 0 GCADHN C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419015296 530952453 /nfs/dbraw/zinc/95/24/53/530952453.db2.gz BIWMBGPSBSYRBY-WFASDCNBSA-N 0 3 398.301 0.991 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000420021238 530965428 /nfs/dbraw/zinc/96/54/28/530965428.db2.gz HGMDFSWYPPQUSH-JTQLQIEISA-N 0 3 387.267 0.741 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000420032453 530965442 /nfs/dbraw/zinc/96/54/42/530965442.db2.gz HZKHCYUUJIDDKT-TUAOUCFPSA-N 0 3 384.527 0.989 20 0 GCADHN O=C(NCc1cc(Cl)cc(Br)c1)C(=O)NC[C@H]1CNCCO1 ZINC000419078288 530953374 /nfs/dbraw/zinc/95/33/74/530953374.db2.gz YRRHGPPDNRHGRF-GFCCVEGCSA-N 0 3 390.665 0.823 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000419074918 530954550 /nfs/dbraw/zinc/95/45/50/530954550.db2.gz MNQXGWSTTNJQEW-GFCCVEGCSA-N 0 3 397.317 0.993 20 0 GCADHN CN(CCN)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419063882 530954594 /nfs/dbraw/zinc/95/45/94/530954594.db2.gz OEUGRHKUIHQLET-GFCCVEGCSA-N 0 3 383.246 0.088 20 0 GCADHN CCCC[C@@H](CN)NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000419133747 530955494 /nfs/dbraw/zinc/95/54/94/530955494.db2.gz GHUHSRZDBNPBJV-LBPRGKRZSA-N 0 3 390.531 0.085 20 0 GCADHN O=C(NCc1ccc(Br)cc1Cl)C(=O)NC[C@H]1CNCCO1 ZINC000419131817 530955622 /nfs/dbraw/zinc/95/56/22/530955622.db2.gz GXJKKGOVDBQLEI-LLVKDONJSA-N 0 3 390.665 0.823 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCc1ccc(Br)cc1Cl ZINC000419143024 530956171 /nfs/dbraw/zinc/95/61/71/530956171.db2.gz YNYGSTCKZGFGPA-UHFFFAOYSA-N 0 3 378.654 0.498 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000419144518 530956516 /nfs/dbraw/zinc/95/65/16/530956516.db2.gz FOMMPHLSWDAYBR-GFCCVEGCSA-N 0 3 398.257 0.690 20 0 GCADHN C[C@H](C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1[C@H](C)CC[C@@H]1C ZINC000522064825 530972498 /nfs/dbraw/zinc/97/24/98/530972498.db2.gz UYPNJZDSKDWEGQ-QXSJWSMHSA-N 0 3 375.535 0.852 20 0 GCADHN C[C@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)N1CCC(C)CC1 ZINC000522144375 530973886 /nfs/dbraw/zinc/97/38/86/530973886.db2.gz KYMRGDXMEXSTCG-OAHLLOKOSA-N 0 3 392.591 0.785 20 0 GCADHN CS[C@@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C[C@H]1N(C)C ZINC000611217386 530978828 /nfs/dbraw/zinc/97/88/28/530978828.db2.gz HKNDAPJHDSLBAN-HZPDHXFCSA-N 0 3 385.555 0.896 20 0 GCADHN CC(C)NS(=O)(=O)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000522994212 530979318 /nfs/dbraw/zinc/97/93/18/530979318.db2.gz PTOVFSCJHRRALM-UHFFFAOYSA-N 0 3 376.523 0.068 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)CCc2cccs2)CC1=O ZINC000632726878 530980515 /nfs/dbraw/zinc/98/05/15/530980515.db2.gz PTECKBNUZBADKV-CQSZACIVSA-N 0 3 389.543 0.389 20 0 GCADHN CN(CCN)C(=O)C(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000633107947 530982026 /nfs/dbraw/zinc/98/20/26/530982026.db2.gz WHFDCGCVJOGXQN-LBPRGKRZSA-N 0 3 378.256 0.609 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000571866791 530982532 /nfs/dbraw/zinc/98/25/32/530982532.db2.gz DSBYOSPYYGVLLP-UHFFFAOYSA-N 0 3 385.251 0.366 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)NCCCCN2CCN(C)CC2)s1 ZINC000642335150 530983167 /nfs/dbraw/zinc/98/31/67/530983167.db2.gz LSHAYKACPKDNSX-UHFFFAOYSA-N 0 3 388.559 0.690 20 0 GCADHN CN(C(=O)C(=O)NCC1(N)CCC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000420129835 530966010 /nfs/dbraw/zinc/96/60/10/530966010.db2.gz QFOKCCZHJBFCHF-LBPRGKRZSA-N 0 3 385.873 0.624 20 0 GCADHN COCCNCCNC(=O)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000420193164 530966020 /nfs/dbraw/zinc/96/60/20/530966020.db2.gz ZDPXVNXPBKSVNK-UHFFFAOYSA-N 0 3 384.274 0.686 20 0 GCADHN CN(Cc1ccc(Br)s1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420196250 530966222 /nfs/dbraw/zinc/96/62/22/530966222.db2.gz LIRVMRRLRFWVHM-VIFPVBQESA-N 0 3 376.276 0.574 20 0 GCADHN COCCNCCNC(=O)C(=O)N1CCc2c(Br)cccc2C1 ZINC000420177766 530966333 /nfs/dbraw/zinc/96/63/33/530966333.db2.gz CQVXWVKFYMKCJP-UHFFFAOYSA-N 0 3 384.274 0.686 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000632315119 530966471 /nfs/dbraw/zinc/96/64/71/530966471.db2.gz GKIUVOODSZBBEM-UHFFFAOYSA-N 0 3 389.543 0.577 20 0 GCADHN CN(C[C@H]1CCCN(S(=O)(=O)CCCN2CCCC2)C1)S(C)(=O)=O ZINC000632328189 530967027 /nfs/dbraw/zinc/96/70/27/530967027.db2.gz SDEZMWNCELOYDK-OAHLLOKOSA-N 0 3 381.564 0.406 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCCO2)c1OC ZINC000420445892 530967170 /nfs/dbraw/zinc/96/71/70/530967170.db2.gz APPUOIISCPSGQX-LLVKDONJSA-N 0 3 392.861 0.792 20 0 GCADHN NC(=O)c1cc(Br)cc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)c1 ZINC000420449658 530968260 /nfs/dbraw/zinc/96/82/60/530968260.db2.gz AGVYFZNXGGSXSH-VIFPVBQESA-N 0 3 386.218 0.809 20 0 GCADHN CC1(C)C[NH2+]CC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000420459552 530968304 /nfs/dbraw/zinc/96/83/04/530968304.db2.gz KEOZMAMPUVXHSP-ZDUSSCGKSA-N 0 3 375.878 0.871 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCC[NH2+]C)c(OC)c1 ZINC000420470683 530968518 /nfs/dbraw/zinc/96/85/18/530968518.db2.gz NKHFCVWWBGKRDL-UHFFFAOYSA-N 0 3 379.504 0.687 20 0 GCADHN COc1cc(S(=O)(=O)NC[C@@H]2CNCCO2)c(OC)cc1Br ZINC000420475160 530968531 /nfs/dbraw/zinc/96/85/31/530968531.db2.gz GGWUDHVOVGJFRP-VIFPVBQESA-N 0 3 395.275 0.733 20 0 GCADHN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1 ZINC000420476451 530968565 /nfs/dbraw/zinc/96/85/65/530968565.db2.gz IGCUBBGYGCNNCQ-LLVKDONJSA-N 0 3 381.376 0.245 20 0 GCADHN COc1cc(OC)c(S(=O)(=O)NC[C@H]2CNCCO2)cc1Br ZINC000420476462 530968686 /nfs/dbraw/zinc/96/86/86/530968686.db2.gz IGGFGHZHKDDIMT-SECBINFHSA-N 0 3 395.275 0.733 20 0 GCADHN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NC[C@@H]2CNCCO2)cn1 ZINC000420477022 530968785 /nfs/dbraw/zinc/96/87/85/530968785.db2.gz JFHGORAKGYGGMJ-LBPRGKRZSA-N 0 3 386.861 0.801 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CC[NH2+]CC1(C)C ZINC000420465814 530968814 /nfs/dbraw/zinc/96/88/14/530968814.db2.gz QLSKXUFRFYZBDS-AWEZNQCLSA-N 0 3 375.516 0.603 20 0 GCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000632370363 530968959 /nfs/dbraw/zinc/96/89/59/530968959.db2.gz YTXNBWOZORQEHJ-ZFWWWQNUSA-N 0 3 375.516 0.319 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]([NH2+]C)C2)c(OC)c1 ZINC000261923303 530991278 /nfs/dbraw/zinc/99/12/78/530991278.db2.gz BVTHHPYCXOWYKA-CYBMUJFWSA-N 0 3 391.515 0.829 20 0 GCADHN COCC1(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC[NH2+]CC1 ZINC000261986674 530991498 /nfs/dbraw/zinc/99/14/98/530991498.db2.gz JVOHJAMHPZWYNX-UHFFFAOYSA-N 0 3 394.490 0.524 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]([NH2+]C)C2)cc1F ZINC000261977769 530991926 /nfs/dbraw/zinc/99/19/26/530991926.db2.gz IWDQHUSEPCVEMI-LLVKDONJSA-N 0 3 379.479 0.960 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C2CC2)c(Br)c1 ZINC000261981918 530992015 /nfs/dbraw/zinc/99/20/15/530992015.db2.gz CTTFTKGIPAQDTN-NSHDSACASA-N 0 3 397.316 0.868 20 0 GCADHN COCC1(C[N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC[NH2+]CC1 ZINC000262017782 530992666 /nfs/dbraw/zinc/99/26/66/530992666.db2.gz MXQPIYPHIBNJFX-UHFFFAOYSA-N 0 3 392.499 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COC[C@@]1(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CCC[NH2+]1 ZINC000262398191 530997897 /nfs/dbraw/zinc/99/78/97/530997897.db2.gz ZKXBZJDLXKJNQP-AWEZNQCLSA-N 0 3 380.463 0.276 20 0 GCADHN COc1ccc(Br)cc1CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572258202 530987356 /nfs/dbraw/zinc/98/73/56/530987356.db2.gz LRKBGVIVBWECLG-OLZOCXBDSA-N 0 3 382.258 0.771 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000524591980 530987405 /nfs/dbraw/zinc/98/74/05/530987405.db2.gz YCSOHQMOCFLMNH-CQSZACIVSA-N 0 3 389.543 0.986 20 0 GCADHN O=S(=O)([N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cn2c(n1)CCCC2 ZINC000261614038 530989418 /nfs/dbraw/zinc/98/94/18/530989418.db2.gz AQHHVVLRYPOKMP-NSHDSACASA-N 0 3 381.424 0.334 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1CN ZINC000658399301 530989619 /nfs/dbraw/zinc/98/96/19/530989619.db2.gz RHXFMENAEXUCJZ-NEPJUHHUSA-N 0 3 376.500 0.847 20 0 GCADHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000614443718 531008170 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NC(=O)C1(NC[C@H](O)COc2cc(F)cc(Br)c2)CCOCC1 ZINC000661595583 531015983 /nfs/dbraw/zinc/01/59/83/531015983.db2.gz SXUBGDSTBHHKFO-LBPRGKRZSA-N 0 3 391.237 0.952 20 0 GCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCCNS(=O)(=O)c1ccccc1Cl ZINC000423097533 531016501 /nfs/dbraw/zinc/01/65/01/531016501.db2.gz JGNCQZMKAXYILD-DZGCQCFKSA-N 0 3 389.905 0.892 20 0 GCADHN CN(CCN)C(=O)C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000423103061 531016823 /nfs/dbraw/zinc/01/68/23/531016823.db2.gz XLVSFVDPWJAKGE-UHFFFAOYSA-N 0 3 387.267 0.695 20 0 GCADHN CN(CCN)C(=O)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000423186828 531017261 /nfs/dbraw/zinc/01/72/61/531017261.db2.gz OVWPEVHTMJBNHQ-UHFFFAOYSA-N 0 3 387.267 0.695 20 0 GCADHN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)N(C)CCN ZINC000423499888 531018206 /nfs/dbraw/zinc/01/82/06/531018206.db2.gz BNTASCTWXFFYSF-UHFFFAOYSA-N 0 3 389.283 0.875 20 0 GCADHN C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C[C@H]1[NH3+] ZINC000423952711 531018551 /nfs/dbraw/zinc/01/85/51/531018551.db2.gz MXUCHZJWXPJYMI-HTQZYQBOSA-N 0 3 382.305 0.595 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(c2cccc(Br)c2)CC1 ZINC000423711930 531018842 /nfs/dbraw/zinc/01/88/42/531018842.db2.gz CPVAPAVHNHDWIM-LBPRGKRZSA-N 0 3 383.290 0.903 20 0 GCADHN CN(CC(=O)NC[C@@H]1CNCCO1)C(=O)c1ccc(Br)s1 ZINC000423992601 531019215 /nfs/dbraw/zinc/01/92/15/531019215.db2.gz OXUMGPPGAIPNSB-VIFPVBQESA-N 0 3 376.276 0.687 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000423984051 531019282 /nfs/dbraw/zinc/01/92/82/531019282.db2.gz BDALOLQWDCGTHL-RISCZKNCSA-N 0 3 382.258 0.907 20 0 GCADHN CN(C)C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000614565355 531020079 /nfs/dbraw/zinc/02/00/79/531020079.db2.gz SVCQOGBDEZTFLW-ZFWWWQNUSA-N 0 3 388.921 0.974 20 0 GCADHN CN(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000614565354 531020296 /nfs/dbraw/zinc/02/02/96/531020296.db2.gz SVCQOGBDEZTFLW-UKRRQHHQSA-N 0 3 388.921 0.974 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)c1cc2c(s1)CCNC2 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CC[C@H](C)NC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000663296085 531032419 /nfs/dbraw/zinc/03/24/19/531032419.db2.gz AKWMDCVFQAEPTC-RYUDHWBXSA-N 0 3 376.500 0.813 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)c(C)s1 ZINC000070766049 531000211 /nfs/dbraw/zinc/00/02/11/531000211.db2.gz ZSBPZGAUPVMJOW-LBPRGKRZSA-N 0 3 394.540 0.631 20 0 GCADHN COc1cc(CNCCCNS(C)(=O)=O)cc(Cl)c1OCC(N)=O ZINC000326274844 531001574 /nfs/dbraw/zinc/00/15/74/531001574.db2.gz WLBYJXIHVHLGBE-UHFFFAOYSA-N 0 3 379.866 0.242 20 0 GCADHN CN1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)[C@H](CN)C1 ZINC000162469694 531001886 /nfs/dbraw/zinc/00/18/86/531001886.db2.gz DYZYVODJUBTZEV-LLVKDONJSA-N 0 3 395.257 0.146 20 0 GCADHN O=S1(=O)C[C@H](NCCc2nsc3ccccc23)[C@H](N2CCOCC2)C1 ZINC000660073439 531003331 /nfs/dbraw/zinc/00/33/31/531003331.db2.gz BZKCVKBKFBDLBK-JKSUJKDBSA-N 0 3 381.523 0.926 20 0 GCADHN O=S(=O)([N-]C[C@H]1CCC[NH2+]C1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000262759042 531061331 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/nfs/dbraw/zinc/04/07/33/531040733.db2.gz NTHLBHGSMKXCAJ-MRVPVSSYSA-N 0 3 380.189 0.705 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CC[NH+](C)C)s1 ZINC000536892036 531040736 /nfs/dbraw/zinc/04/07/36/531040736.db2.gz BJOVZBDURRQHAB-GFCCVEGCSA-N 0 3 397.588 0.848 20 0 GCADHN C[C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)N1CCCC[C@H]1C ZINC000612565184 531042077 /nfs/dbraw/zinc/04/20/77/531042077.db2.gz AEWAYJYNNXMVJI-HUUCEWRRSA-N 0 3 375.539 0.383 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000614858781 531044262 /nfs/dbraw/zinc/04/42/62/531044262.db2.gz LMADWIDYNDFZTC-VIFPVBQESA-N 0 3 384.285 0.310 20 0 GCADHN COCCNCCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000262673085 531048414 /nfs/dbraw/zinc/04/84/14/531048414.db2.gz RZRCQCBFISZWSD-UHFFFAOYSA-N 0 3 398.257 0.787 20 0 GCADHN COc1ccc(CCN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1S(N)(=O)=O ZINC000540397020 531049817 /nfs/dbraw/zinc/04/98/17/531049817.db2.gz MTNVVTHDTNTBQS-ZFWWWQNUSA-N 0 3 390.527 0.831 20 0 GCADHN 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531093806 /nfs/dbraw/zinc/09/38/06/531093806.db2.gz VOUPSBUBUCEHSF-VHSXEESVSA-N 0 3 395.815 0.874 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)CCN2C1=O ZINC000516089639 531093991 /nfs/dbraw/zinc/09/39/91/531093991.db2.gz VOUPSBUBUCEHSF-NXEZZACHSA-N 0 3 395.815 0.874 20 0 GCADHN C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000516168308 531094733 /nfs/dbraw/zinc/09/47/33/531094733.db2.gz DVEGTLXLULQFHL-GXTWGEPZSA-N 0 3 397.317 0.598 20 0 GCADHN COc1cc(Br)c2nc(NCCN3CC[C@@H](O)C3)nc(N)c2c1 ZINC000641692276 531095026 /nfs/dbraw/zinc/09/50/26/531095026.db2.gz XZWNZPCCLKIIKT-SECBINFHSA-N 0 3 382.262 0.884 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@]2(O)CCN(C)C2)s1 ZINC000547275061 531095897 /nfs/dbraw/zinc/09/58/97/531095897.db2.gz XBOPURMKIOXUKX-CZUORRHYSA-N 0 3 387.527 0.392 20 0 GCADHN CN1CC[C@](O)(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000547277514 531096031 /nfs/dbraw/zinc/09/60/31/531096031.db2.gz MFQPGYANGHGJCJ-YOEHRIQHSA-N 0 3 396.285 0.985 20 0 GCADHN CN(C)CCN(C)c1ccc(Br)cc1NC(=O)C(=O)NCCO ZINC000425741064 531097100 /nfs/dbraw/zinc/09/71/00/531097100.db2.gz MEHCTLNYJGMCJZ-UHFFFAOYSA-N 0 3 387.278 0.494 20 0 GCADHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000666395197 531101215 /nfs/dbraw/zinc/10/12/15/531101215.db2.gz BZHFRIBXCRYKBA-KBPBESRZSA-N 0 3 387.527 0.888 20 0 GCADHN CCCN1CC[C@H](NC(=O)N2CCN(S(=O)(=O)CCCOC)CC2)C1 ZINC000666924947 531103244 /nfs/dbraw/zinc/10/32/44/531103244.db2.gz OCDWLAXQZUSEDR-HNNXBMFYSA-N 0 3 376.523 0.164 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665552380 531072692 /nfs/dbraw/zinc/07/26/92/531072692.db2.gz AXOHGFZTDFLUCE-CQSZACIVSA-N 0 3 375.539 0.429 20 0 GCADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000667427960 531106078 /nfs/dbraw/zinc/10/60/78/531106078.db2.gz VOGPMYIZHUCREM-ZDUSSCGKSA-N 0 3 397.273 0.937 20 0 GCADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CNS(=O)(=O)N(C)C ZINC000667431131 531106103 /nfs/dbraw/zinc/10/61/03/531106103.db2.gz 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CN1CCC[C@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000548368991 531115163 /nfs/dbraw/zinc/11/51/63/531115163.db2.gz FSYROFYFLIHOQR-CYBMUJFWSA-N 0 3 387.527 0.747 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000673519795 531117698 /nfs/dbraw/zinc/11/76/98/531117698.db2.gz GJCMKOUOCCTOGB-NSHDSACASA-N 0 3 383.392 0.022 20 0 GCADHN CCN(CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000431893744 531118420 /nfs/dbraw/zinc/11/84/20/531118420.db2.gz ISGHSFBAZJIRGO-GJZGRUSLSA-N 0 3 381.564 0.452 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000431768843 531118586 /nfs/dbraw/zinc/11/85/86/531118586.db2.gz MVVQPJCHAIPGOR-AWEZNQCLSA-N 0 3 389.543 0.957 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000431768844 531118637 /nfs/dbraw/zinc/11/86/37/531118637.db2.gz MVVQPJCHAIPGOR-CQSZACIVSA-N 0 3 389.543 0.957 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000673845464 531119960 /nfs/dbraw/zinc/11/99/60/531119960.db2.gz 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CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000445554331 531142773 /nfs/dbraw/zinc/14/27/73/531142773.db2.gz ZISLAGRUEFCNPZ-RYUDHWBXSA-N 0 3 395.572 0.778 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000445554328 531143010 /nfs/dbraw/zinc/14/30/10/531143010.db2.gz ZISLAGRUEFCNPZ-NEPJUHHUSA-N 0 3 395.572 0.778 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000445554332 531143076 /nfs/dbraw/zinc/14/30/76/531143076.db2.gz ZISLAGRUEFCNPZ-VXGBXAGGSA-N 0 3 395.572 0.778 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000154930409 531144004 /nfs/dbraw/zinc/14/40/04/531144004.db2.gz XCQVJZZMCPEDEG-CABCVRRESA-N 0 3 376.567 0.340 20 0 GCADHN CN(C)C[C@@H]1CN(c2ncc(Br)cc2S(N)(=O)=O)CCO1 ZINC000677232605 531145192 /nfs/dbraw/zinc/14/51/92/531145192.db2.gz WNDNEGWYKLSZNS-SNVBAGLBSA-N 0 3 379.280 0.258 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436381227 531145931 /nfs/dbraw/zinc/14/59/31/531145931.db2.gz IHEZZFIVSFAEHS-LLVKDONJSA-N 0 3 376.429 0.799 20 0 GCADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C[C@@H](C)N1 ZINC000154237180 531140851 /nfs/dbraw/zinc/14/08/51/531140851.db2.gz VHPLHOZARMIPFU-RKDXNWHRSA-N 0 3 396.332 0.998 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2coc(Br)c2)CC1=O ZINC000552106902 531142093 /nfs/dbraw/zinc/14/20/93/531142093.db2.gz UTOWBQVPTPVYPW-LBPRGKRZSA-N 0 3 388.262 0.951 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000552156138 531142254 /nfs/dbraw/zinc/14/22/54/531142254.db2.gz UNLNTYGOOVMVCS-UTLUCORTSA-N 0 3 390.303 0.762 20 0 GCADHN O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@H]1CN2CCN1CCC2 ZINC000677899333 531148716 /nfs/dbraw/zinc/14/87/16/531148716.db2.gz AJPVIPNUYMJHAN-GFCCVEGCSA-N 0 3 379.262 0.727 20 0 GCADHN COCCc1nc(C)c([C@@H](C)NCCN2CCN(S(C)(=O)=O)CC2)s1 ZINC000678424691 531151260 /nfs/dbraw/zinc/15/12/60/531151260.db2.gz ROADPHDPJIYBIZ-CYBMUJFWSA-N 0 3 390.575 0.868 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)CC2(CC(=O)OC)CC2)CC1 ZINC000437249495 531148088 /nfs/dbraw/zinc/14/80/88/531148088.db2.gz VESXRPIZJKBOJF-HNNXBMFYSA-N 0 3 375.535 0.523 20 0 GCADHN CCCN1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000064573247 531152962 /nfs/dbraw/zinc/15/29/62/531152962.db2.gz SSXRBZUIAYVLAS-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000553405558 531151911 /nfs/dbraw/zinc/15/19/11/531151911.db2.gz SHSPMUSOLNMVIJ-UHFFFAOYSA-N 0 3 388.559 0.815 20 0 GCADHN C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H](C)C1 ZINC000553782945 531156338 /nfs/dbraw/zinc/15/63/38/531156338.db2.gz FNLVNSNATJDLFM-GMXVVIOVSA-N 0 3 399.289 0.900 20 0 GCADHN C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H](C)C1 ZINC000553782945 531156340 /nfs/dbraw/zinc/15/63/40/531156340.db2.gz FNLVNSNATJDLFM-GMXVVIOVSA-N 0 3 399.289 0.900 20 0 GCADHN CCN(CCN1CCCCCC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000553885649 531157599 /nfs/dbraw/zinc/15/75/99/531157599.db2.gz DEUCEEKZTGJMMY-UHFFFAOYSA-N 0 3 396.579 0.006 20 0 GCADHN C[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CN1CCCCC1 ZINC000615293104 531154965 /nfs/dbraw/zinc/15/49/65/531154965.db2.gz LTXPHLDAMWFTFI-ZDUSSCGKSA-N 0 3 375.516 0.734 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000511090436 531159060 /nfs/dbraw/zinc/15/90/60/531159060.db2.gz MOXXNZIVMPQKSP-WCXIOVBPSA-N 0 3 377.551 0.060 20 0 GCADHN C[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000253609868 531163006 /nfs/dbraw/zinc/16/30/06/531163006.db2.gz HXUQPFGMALUAOC-GHMZBOCLSA-N 0 3 387.278 0.948 20 0 GCADHN C[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000253609868 531163011 /nfs/dbraw/zinc/16/30/11/531163011.db2.gz HXUQPFGMALUAOC-GHMZBOCLSA-N 0 3 387.278 0.948 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000439926083 531165717 /nfs/dbraw/zinc/16/57/17/531165717.db2.gz CCGDUEVRGRMZNY-OAHLLOKOSA-N 0 3 376.523 0.020 20 0 GCADHN O=S(=O)(N[C@@H]1CCCNC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000440341467 531171367 /nfs/dbraw/zinc/17/13/67/531171367.db2.gz MNAWXEDEWUUDIW-CQSZACIVSA-N 0 3 387.527 0.892 20 0 GCADHN COc1ccccc1CS(=O)(=O)C(C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000555462962 531169972 /nfs/dbraw/zinc/16/99/72/531169972.db2.gz USVOSCJTOFVBOZ-TZMCWYRMSA-N 0 3 389.495 0.644 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000440250099 531169981 /nfs/dbraw/zinc/16/99/81/531169981.db2.gz ZDUSLZOLFLSJQB-HNNXBMFYSA-N 0 3 378.539 0.457 20 0 GCADHN O=S(=O)(c1ccc(S(=O)(=O)N2CCCNCC2)cc1)N1CCCCC1 ZINC000440354604 531171061 /nfs/dbraw/zinc/17/10/61/531171061.db2.gz FRJJOPZBUDMHQF-UHFFFAOYSA-N 0 3 387.527 0.845 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000556210320 531173761 /nfs/dbraw/zinc/17/37/61/531173761.db2.gz ZLDQNZLHANGQSQ-OVCWYNSISA-N 0 3 389.587 0.736 20 0 GCADHN C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@H]1C[NH3+] ZINC000440428520 531173149 /nfs/dbraw/zinc/17/31/49/531173149.db2.gz QMRQFPSTYVMNTK-HZMBPMFUSA-N 0 3 379.479 0.945 20 0 GCADHN COCCNCCNS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 ZINC000440828840 531176966 /nfs/dbraw/zinc/17/69/66/531176966.db2.gz CJXCFAKXRDBXBT-UHFFFAOYSA-N 0 3 395.275 0.750 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000440836572 531177068 /nfs/dbraw/zinc/17/70/68/531177068.db2.gz HGMCXGNUAXRINV-NSHDSACASA-N 0 3 377.488 0.345 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)cc1F ZINC000440863403 531178069 /nfs/dbraw/zinc/17/80/69/531178069.db2.gz PYMYSZOFKXDSIO-NSHDSACASA-N 0 3 379.479 0.864 20 0 GCADHN CS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 ZINC000440808175 531177469 /nfs/dbraw/zinc/17/74/69/531177469.db2.gz LPGMKFIGTTZSFE-SWLSCSKDSA-N 0 3 396.481 0.764 20 0 GCADHN C[C@H]1CCNC[C@H]1NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000440850312 531177688 /nfs/dbraw/zinc/17/76/88/531177688.db2.gz SRRPHHNTAJWSFT-GXSJLCMTSA-N 0 3 382.408 0.594 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CCCO1 ZINC000683378574 531179010 /nfs/dbraw/zinc/17/90/10/531179010.db2.gz OGQXDTKKJXWKDQ-HUUCEWRRSA-N 0 3 376.523 0.211 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)Nc2nc(CS(C)(=O)=O)no2)CCCO1 ZINC000683371496 531178453 /nfs/dbraw/zinc/17/84/53/531178453.db2.gz FSAVTMDTLIBLES-LLVKDONJSA-N 0 3 375.451 0.237 20 0 GCADHN CC(C)[N@H+](C)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441158169 531180073 /nfs/dbraw/zinc/18/00/73/531180073.db2.gz WCBIDPDPJREHAT-UHFFFAOYSA-N 0 3 378.445 0.883 20 0 GCADHN CC(C)[N@@H+](C)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000441158169 531180075 /nfs/dbraw/zinc/18/00/75/531180075.db2.gz WCBIDPDPJREHAT-UHFFFAOYSA-N 0 3 378.445 0.883 20 0 GCADHN C[C@H](NC(=O)c1cc(I)c[nH]1)C(=O)NCCN(C)C ZINC000565203792 531180152 /nfs/dbraw/zinc/18/01/52/531180152.db2.gz HXMKVWBYNARJDR-QMMMGPOBSA-N 0 3 378.214 0.415 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CC[S@@](=O)C2)cc1Cl ZINC000441221723 531180527 /nfs/dbraw/zinc/18/05/27/531180527.db2.gz WNGXEOFNUICQGX-XELLLNAOSA-N 0 3 387.889 0.856 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCCN(C)S(C)(=O)=O ZINC000683822101 531181929 /nfs/dbraw/zinc/18/19/29/531181929.db2.gz QBFBSIYOPXLXDC-AWEZNQCLSA-N 0 3 376.523 0.163 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000683940892 531182561 /nfs/dbraw/zinc/18/25/61/531182561.db2.gz XWNBGDKEWMREJP-UHFFFAOYSA-N 0 3 375.516 0.451 20 0 GCADHN COc1cc(Cl)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC ZINC000565239187 531182920 /nfs/dbraw/zinc/18/29/20/531182920.db2.gz JSRQCQWTQBJPNU-ONGXEEELSA-N 0 3 389.861 0.290 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000683941744 531182481 /nfs/dbraw/zinc/18/24/81/531182481.db2.gz QDZSXWGCZOBYKI-CQSZACIVSA-N 0 3 375.516 0.451 20 0 GCADHN Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1Br ZINC000565251632 531183688 /nfs/dbraw/zinc/18/36/88/531183688.db2.gz URDUSTGHUZPGBC-QWRGUYRKSA-N 0 3 395.257 0.466 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCCOCCN(C)C)c1ccc(Br)cn1 ZINC000565325085 531184151 /nfs/dbraw/zinc/18/41/51/531184151.db2.gz XJMLWBIKLUAJEU-LLVKDONJSA-N 0 3 387.278 0.716 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cn1 ZINC000684566829 531185242 /nfs/dbraw/zinc/18/52/42/531185242.db2.gz XVEHZZBNPRKHQS-UHFFFAOYSA-N 0 3 382.467 0.391 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000153157062 531185533 /nfs/dbraw/zinc/18/55/33/531185533.db2.gz VOWWQPPUEUWHFU-INIZCTEOSA-N 0 3 397.273 0.588 20 0 GCADHN COc1ccc(Br)c(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000565669539 531188684 /nfs/dbraw/zinc/18/86/84/531188684.db2.gz FPOVQMYMGBPRNK-RISCZKNCSA-N 0 3 397.273 0.911 20 0 GCADHN COCC1(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)CC[NH2+]CC1 ZINC000565546253 531186989 /nfs/dbraw/zinc/18/69/89/531186989.db2.gz YVUKFDOUIXKJQG-UHFFFAOYSA-N 0 3 375.516 0.549 20 0 GCADHN CSC1(CNC(=O)c2ccc(CNS(C)(=O)=O)o2)CCN(C)CC1 ZINC000565807950 531190799 /nfs/dbraw/zinc/19/07/99/531190799.db2.gz XDKNHAHEMLRRTI-UHFFFAOYSA-N 0 3 375.516 0.886 20 0 GCADHN Cc1nc(S(=O)(=O)C(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)sc1C ZINC000565965121 531192922 /nfs/dbraw/zinc/19/29/22/531192922.db2.gz WFDYSFOIBDJRCA-QWRGUYRKSA-N 0 3 380.513 0.568 20 0 GCADHN CCN1CCC[C@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)NC)C1 ZINC000442984596 531192941 /nfs/dbraw/zinc/19/29/41/531192941.db2.gz URVODBLWHYCDGM-CYBMUJFWSA-N 0 3 375.516 0.605 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C[C@@H]1O ZINC000565966395 531192952 /nfs/dbraw/zinc/19/29/52/531192952.db2.gz FTUUYDXNEADFEH-CQDKDKBSSA-N 0 3 396.285 0.935 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000685502985 531191545 /nfs/dbraw/zinc/19/15/45/531191545.db2.gz IPQRXGDGIWOTPL-GFCCVEGCSA-N 0 3 387.424 0.134 20 0 GCADHN Cc1nc(S(=O)(=O)C(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)sc1C ZINC000565965122 531193307 /nfs/dbraw/zinc/19/33/07/531193307.db2.gz WFDYSFOIBDJRCA-WDEREUQCSA-N 0 3 380.513 0.568 20 0 GCADHN CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000030503658 531195827 /nfs/dbraw/zinc/19/58/27/531195827.db2.gz QUZKQDYDLOHQPZ-UHFFFAOYSA-N 0 3 383.495 0.874 20 0 GCADHN CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)cc1Cl ZINC000566224584 531196129 /nfs/dbraw/zinc/19/61/29/531196129.db2.gz TZLSADNHHKPNHB-JTQLQIEISA-N 0 3 378.857 0.619 20 0 GCADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000566323921 531196893 /nfs/dbraw/zinc/19/68/93/531196893.db2.gz QBHJFPLXQXELOV-UHFFFAOYSA-N 0 3 390.937 0.968 20 0 GCADHN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736293351 598827389 /nfs/dbraw/zinc/82/73/89/598827389.db2.gz OBQGCJIXOOEINW-DOMZBBRYSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736293351 598827390 /nfs/dbraw/zinc/82/73/90/598827390.db2.gz OBQGCJIXOOEINW-DOMZBBRYSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736293351 598827392 /nfs/dbraw/zinc/82/73/92/598827392.db2.gz OBQGCJIXOOEINW-DOMZBBRYSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736293351 598827394 /nfs/dbraw/zinc/82/73/94/598827394.db2.gz OBQGCJIXOOEINW-DOMZBBRYSA-N 0 3 393.455 0.943 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735628186 598836974 /nfs/dbraw/zinc/83/69/74/598836974.db2.gz SNUZUPIXRXHFHR-NEPJUHHUSA-N 0 3 389.464 0.704 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000735628186 598836976 /nfs/dbraw/zinc/83/69/76/598836976.db2.gz SNUZUPIXRXHFHR-NEPJUHHUSA-N 0 3 389.464 0.704 20 0 GCADHN CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735944174 598841129 /nfs/dbraw/zinc/84/11/29/598841129.db2.gz YMMVSAHBXCGPGO-CABCVRRESA-N 0 3 398.471 0.926 20 0 GCADHN CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735944178 598841333 /nfs/dbraw/zinc/84/13/33/598841333.db2.gz YMMVSAHBXCGPGO-HUUCEWRRSA-N 0 3 398.471 0.926 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000737024978 598878686 /nfs/dbraw/zinc/87/86/86/598878686.db2.gz WABLGEYRYFXLEV-UHFFFAOYSA-N 0 3 390.444 0.481 20 0 GCADHN OCC1([NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc2C1 ZINC000738394513 598900251 /nfs/dbraw/zinc/90/02/51/598900251.db2.gz RWHWUSRRNRYPEY-QGZVFWFLSA-N 0 3 381.436 0.726 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736765589 598911679 /nfs/dbraw/zinc/91/16/79/598911679.db2.gz YKMAVAIXNZMPMW-LBPRGKRZSA-N 0 3 381.444 0.658 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736765589 598911680 /nfs/dbraw/zinc/91/16/80/598911680.db2.gz YKMAVAIXNZMPMW-LBPRGKRZSA-N 0 3 381.444 0.658 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737765805 598916345 /nfs/dbraw/zinc/91/63/45/598916345.db2.gz XRXGQCMVLUQQPL-SNVBAGLBSA-N 0 3 399.502 0.257 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737765805 598916347 /nfs/dbraw/zinc/91/63/47/598916347.db2.gz XRXGQCMVLUQQPL-SNVBAGLBSA-N 0 3 399.502 0.257 20 0 GCADHN C[C@@](O)(C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(F)cc1F ZINC000736143562 598919929 /nfs/dbraw/zinc/91/99/29/598919929.db2.gz UHDDBEBGOFVODR-BMLIUANNSA-N 0 3 390.398 0.880 20 0 GCADHN C[C@@](O)(C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(F)cc1F ZINC000736143562 598919930 /nfs/dbraw/zinc/91/99/30/598919930.db2.gz UHDDBEBGOFVODR-BMLIUANNSA-N 0 3 390.398 0.880 20 0 GCADHN O=C1[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCCN1c1ccccc1 ZINC000738291321 598920624 /nfs/dbraw/zinc/92/06/24/598920624.db2.gz UFGZOOGIPXQEFR-CZUORRHYSA-N 0 3 393.455 0.890 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736854222 599034598 /nfs/dbraw/zinc/03/45/98/599034598.db2.gz BSQKEVMXKVNWCY-HNNXBMFYSA-N 0 3 385.472 0.484 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736854222 599034601 /nfs/dbraw/zinc/03/46/01/599034601.db2.gz BSQKEVMXKVNWCY-HNNXBMFYSA-N 0 3 385.472 0.484 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736854222 599034604 /nfs/dbraw/zinc/03/46/04/599034604.db2.gz BSQKEVMXKVNWCY-HNNXBMFYSA-N 0 3 385.472 0.484 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736854222 599034607 /nfs/dbraw/zinc/03/46/07/599034607.db2.gz BSQKEVMXKVNWCY-HNNXBMFYSA-N 0 3 385.472 0.484 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736856023 599034982 /nfs/dbraw/zinc/03/49/82/599034982.db2.gz KGXRAWNYRPGPCD-INIZCTEOSA-N 0 3 385.472 0.484 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736856023 599034984 /nfs/dbraw/zinc/03/49/84/599034984.db2.gz KGXRAWNYRPGPCD-INIZCTEOSA-N 0 3 385.472 0.484 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC[N@@H+]1C ZINC000736232396 599105955 /nfs/dbraw/zinc/10/59/55/599105955.db2.gz CTYJSJXVXGBBDR-WCQYABFASA-N 0 3 381.444 0.847 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC[N@H+]1C ZINC000736232396 599105957 /nfs/dbraw/zinc/10/59/57/599105957.db2.gz CTYJSJXVXGBBDR-WCQYABFASA-N 0 3 381.444 0.847 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC[N@@H+]1C ZINC000736232396 599105960 /nfs/dbraw/zinc/10/59/60/599105960.db2.gz CTYJSJXVXGBBDR-WCQYABFASA-N 0 3 381.444 0.847 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC[N@H+]1C ZINC000736232396 599105962 /nfs/dbraw/zinc/10/59/62/599105962.db2.gz CTYJSJXVXGBBDR-WCQYABFASA-N 0 3 381.444 0.847 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736769393 599123942 /nfs/dbraw/zinc/12/39/42/599123942.db2.gz RFGSVRHNHOUHOY-UHFFFAOYSA-N 0 3 380.474 0.598 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736769393 599123944 /nfs/dbraw/zinc/12/39/44/599123944.db2.gz RFGSVRHNHOUHOY-UHFFFAOYSA-N 0 3 380.474 0.598 20 0 GCADHN OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738391404 599177310 /nfs/dbraw/zinc/17/73/10/599177310.db2.gz WWEHKAXMWNHWFK-GXTWGEPZSA-N 0 3 393.455 0.779 20 0 GCADHN OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738391404 599177313 /nfs/dbraw/zinc/17/73/13/599177313.db2.gz WWEHKAXMWNHWFK-GXTWGEPZSA-N 0 3 393.455 0.779 20 0 GCADHN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@H]1CCCN1C ZINC000735904853 599281763 /nfs/dbraw/zinc/28/17/63/599281763.db2.gz UIPAZCKEQNJFML-CYBMUJFWSA-N 0 3 387.444 0.803 20 0 GCADHN CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736452229 599283165 /nfs/dbraw/zinc/28/31/65/599283165.db2.gz CTZTUXJWQRNUAA-UHFFFAOYSA-N 0 3 375.433 0.662 20 0 GCADHN CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736452229 599283168 /nfs/dbraw/zinc/28/31/68/599283168.db2.gz CTZTUXJWQRNUAA-UHFFFAOYSA-N 0 3 375.433 0.662 20 0 GCADHN O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823192341 607332850 /nfs/dbraw/zinc/33/28/50/607332850.db2.gz XVAVQNVSJVFJMP-UHFFFAOYSA-N 0 3 375.408 0.937 20 0 GCADHN O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823192341 607332851 /nfs/dbraw/zinc/33/28/51/607332851.db2.gz XVAVQNVSJVFJMP-UHFFFAOYSA-N 0 3 375.408 0.937 20 0 GCADHN C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821583312 607334600 /nfs/dbraw/zinc/33/46/00/607334600.db2.gz QTVMHVIIAJYTDW-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821583312 607334602 /nfs/dbraw/zinc/33/46/02/607334602.db2.gz QTVMHVIIAJYTDW-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821181998 607342133 /nfs/dbraw/zinc/34/21/33/607342133.db2.gz RQOBRWBDBXIAAG-GFCCVEGCSA-N 0 3 375.408 0.887 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821181998 607342135 /nfs/dbraw/zinc/34/21/35/607342135.db2.gz RQOBRWBDBXIAAG-GFCCVEGCSA-N 0 3 375.408 0.887 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821581179 607343446 /nfs/dbraw/zinc/34/34/46/607343446.db2.gz FAYCBFNPHKNDNI-NEPJUHHUSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821581179 607343448 /nfs/dbraw/zinc/34/34/48/607343448.db2.gz FAYCBFNPHKNDNI-NEPJUHHUSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736850009 598231334 /nfs/dbraw/zinc/23/13/34/598231334.db2.gz XOGDWNJDAOFCGT-UHFFFAOYSA-N 0 3 377.836 0.917 20 0 GCADHN C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736850009 598231336 /nfs/dbraw/zinc/23/13/36/598231336.db2.gz XOGDWNJDAOFCGT-UHFFFAOYSA-N 0 3 377.836 0.917 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737168830 598250085 /nfs/dbraw/zinc/25/00/85/598250085.db2.gz LFRLZJYWHINPIF-ZDUSSCGKSA-N 0 3 389.485 0.881 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737168830 598250086 /nfs/dbraw/zinc/25/00/86/598250086.db2.gz LFRLZJYWHINPIF-ZDUSSCGKSA-N 0 3 389.485 0.881 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737742047 598255964 /nfs/dbraw/zinc/25/59/64/598255964.db2.gz DTFQXHHCZWOWGT-OAHLLOKOSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737742047 598255966 /nfs/dbraw/zinc/25/59/66/598255966.db2.gz DTFQXHHCZWOWGT-OAHLLOKOSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737742047 598255968 /nfs/dbraw/zinc/25/59/68/598255968.db2.gz DTFQXHHCZWOWGT-OAHLLOKOSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737742047 598255970 /nfs/dbraw/zinc/25/59/70/598255970.db2.gz DTFQXHHCZWOWGT-OAHLLOKOSA-N 0 3 386.460 0.253 20 0 GCADHN C[N@H+](CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1CCCC1 ZINC000736801632 598258024 /nfs/dbraw/zinc/25/80/24/598258024.db2.gz ZCURHQLBOSAHNH-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[N@@H+](CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1CCCC1 ZINC000736801632 598258026 /nfs/dbraw/zinc/25/80/26/598258026.db2.gz ZCURHQLBOSAHNH-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[N@H+](CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1CCCC1 ZINC000736801632 598258028 /nfs/dbraw/zinc/25/80/28/598258028.db2.gz ZCURHQLBOSAHNH-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[N@@H+](CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1CCCC1 ZINC000736801632 598258029 /nfs/dbraw/zinc/25/80/29/598258029.db2.gz ZCURHQLBOSAHNH-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736573221 598272943 /nfs/dbraw/zinc/27/29/43/598272943.db2.gz YIMZOYPXBLQQOW-DLBZAZTESA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736573221 598272944 /nfs/dbraw/zinc/27/29/44/598272944.db2.gz YIMZOYPXBLQQOW-DLBZAZTESA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736573221 598272945 /nfs/dbraw/zinc/27/29/45/598272945.db2.gz YIMZOYPXBLQQOW-DLBZAZTESA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736573221 598272946 /nfs/dbraw/zinc/27/29/46/598272946.db2.gz YIMZOYPXBLQQOW-DLBZAZTESA-N 0 3 397.483 0.816 20 0 GCADHN CC[NH+]1CCC(CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000736565466 598303370 /nfs/dbraw/zinc/30/33/70/598303370.db2.gz KKKJOYPMUUMLBE-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN CC[NH+]1CCC(CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000736565466 598303372 /nfs/dbraw/zinc/30/33/72/598303372.db2.gz KKKJOYPMUUMLBE-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1CC1 ZINC000736536516 598305320 /nfs/dbraw/zinc/30/53/20/598305320.db2.gz KGCJGEZZXXLFMZ-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1CC1 ZINC000736536516 598305322 /nfs/dbraw/zinc/30/53/22/598305322.db2.gz KGCJGEZZXXLFMZ-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1CC1 ZINC000736536516 598305324 /nfs/dbraw/zinc/30/53/24/598305324.db2.gz KGCJGEZZXXLFMZ-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1CC1 ZINC000736536516 598305327 /nfs/dbraw/zinc/30/53/27/598305327.db2.gz KGCJGEZZXXLFMZ-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C ZINC000736995206 598330076 /nfs/dbraw/zinc/33/00/76/598330076.db2.gz OXRLECICHHCCGW-UHFFFAOYSA-N 0 3 375.433 0.150 20 0 GCADHN CN1CCN(C[C@@H]2CN(c3nc4c(cc3-c3nn[nH]n3)CCC4)CCO2)CC1 ZINC000736865485 598337679 /nfs/dbraw/zinc/33/76/79/598337679.db2.gz YLNDEVOGNIHWEI-OAHLLOKOSA-N 0 3 384.488 0.203 20 0 GCADHN CCOCCN1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736618494 598345241 /nfs/dbraw/zinc/34/52/41/598345241.db2.gz LXERZHCNTVOUFG-DOTOQJQBSA-N 0 3 390.488 0.649 20 0 GCADHN CCOCCN1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736618720 598345411 /nfs/dbraw/zinc/34/54/11/598345411.db2.gz LXERZHCNTVOUFG-NVXWUHKLSA-N 0 3 390.488 0.649 20 0 GCADHN CN1CCN(C[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)CCO2)CC1 ZINC000736862393 598353566 /nfs/dbraw/zinc/35/35/66/598353566.db2.gz CDANOGPZQLABMB-INIZCTEOSA-N 0 3 375.452 0.454 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736147290 598365767 /nfs/dbraw/zinc/36/57/67/598365767.db2.gz MFXNZFJTMKTHQK-GFCCVEGCSA-N 0 3 393.517 0.891 20 0 GCADHN C[N@H+](CCO)C1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736801970 598366311 /nfs/dbraw/zinc/36/63/11/598366311.db2.gz NLFQVADCFWLUEH-UHFFFAOYSA-N 0 3 393.879 0.847 20 0 GCADHN C[N@@H+](CCO)C1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736801970 598366313 /nfs/dbraw/zinc/36/63/13/598366313.db2.gz NLFQVADCFWLUEH-UHFFFAOYSA-N 0 3 393.879 0.847 20 0 GCADHN C[N@H+](CCO)C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736801970 598366315 /nfs/dbraw/zinc/36/63/15/598366315.db2.gz NLFQVADCFWLUEH-UHFFFAOYSA-N 0 3 393.879 0.847 20 0 GCADHN C[N@@H+](CCO)C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736801970 598366316 /nfs/dbraw/zinc/36/63/16/598366316.db2.gz NLFQVADCFWLUEH-UHFFFAOYSA-N 0 3 393.879 0.847 20 0 GCADHN C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736266811 598398168 /nfs/dbraw/zinc/39/81/68/598398168.db2.gz KLKFSKQPZMITOJ-AWEZNQCLSA-N 0 3 385.472 0.977 20 0 GCADHN C[C@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736266811 598398169 /nfs/dbraw/zinc/39/81/69/598398169.db2.gz KLKFSKQPZMITOJ-AWEZNQCLSA-N 0 3 385.472 0.977 20 0 GCADHN C[C@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736266811 598398171 /nfs/dbraw/zinc/39/81/71/598398171.db2.gz KLKFSKQPZMITOJ-AWEZNQCLSA-N 0 3 385.472 0.977 20 0 GCADHN C[C@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736266811 598398173 /nfs/dbraw/zinc/39/81/73/598398173.db2.gz KLKFSKQPZMITOJ-AWEZNQCLSA-N 0 3 385.472 0.977 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000738037028 598399426 /nfs/dbraw/zinc/39/94/26/598399426.db2.gz COMPCPDHJJNFKB-UHFFFAOYSA-N 0 3 392.423 0.340 20 0 GCADHN CCC[NH+]1CCC(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC1 ZINC000736479263 598429640 /nfs/dbraw/zinc/42/96/40/598429640.db2.gz GMGKZVBWZMHERS-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN CCC[NH+]1CCC(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC1 ZINC000736479263 598429641 /nfs/dbraw/zinc/42/96/41/598429641.db2.gz GMGKZVBWZMHERS-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736769932 598452798 /nfs/dbraw/zinc/45/27/98/598452798.db2.gz XLWZPYQHLLIFCA-UHFFFAOYSA-N 0 3 394.439 0.483 20 0 GCADHN C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736769932 598452799 /nfs/dbraw/zinc/45/27/99/598452799.db2.gz XLWZPYQHLLIFCA-UHFFFAOYSA-N 0 3 394.439 0.483 20 0 GCADHN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736235777 598462445 /nfs/dbraw/zinc/46/24/45/598462445.db2.gz DORGIYHJLIPQJQ-GASCZTMLSA-N 0 3 384.488 0.892 20 0 GCADHN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736235777 598462447 /nfs/dbraw/zinc/46/24/47/598462447.db2.gz DORGIYHJLIPQJQ-GASCZTMLSA-N 0 3 384.488 0.892 20 0 GCADHN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736235777 598462449 /nfs/dbraw/zinc/46/24/49/598462449.db2.gz DORGIYHJLIPQJQ-GASCZTMLSA-N 0 3 384.488 0.892 20 0 GCADHN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736235777 598462451 /nfs/dbraw/zinc/46/24/51/598462451.db2.gz DORGIYHJLIPQJQ-GASCZTMLSA-N 0 3 384.488 0.892 20 0 GCADHN C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736767144 598463282 /nfs/dbraw/zinc/46/32/82/598463282.db2.gz MCKFOPHYKVWROH-UHFFFAOYSA-N 0 3 375.433 0.607 20 0 GCADHN C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736767144 598463284 /nfs/dbraw/zinc/46/32/84/598463284.db2.gz MCKFOPHYKVWROH-UHFFFAOYSA-N 0 3 375.433 0.607 20 0 GCADHN COCCN1CC[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737007585 598466409 /nfs/dbraw/zinc/46/64/09/598466409.db2.gz NFYWFBQNQHKQHC-WBVHZDCISA-N 0 3 385.472 0.672 20 0 GCADHN C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736860386 598480271 /nfs/dbraw/zinc/48/02/71/598480271.db2.gz OPKJJIBYDNUZRR-OAHLLOKOSA-N 0 3 385.476 0.624 20 0 GCADHN C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736860386 598480273 /nfs/dbraw/zinc/48/02/73/598480273.db2.gz OPKJJIBYDNUZRR-OAHLLOKOSA-N 0 3 385.476 0.624 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC000738432801 598517680 /nfs/dbraw/zinc/51/76/80/598517680.db2.gz MEHISPVXNHQEHO-JKSUJKDBSA-N 0 3 379.472 0.969 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC000738432801 598517682 /nfs/dbraw/zinc/51/76/82/598517682.db2.gz MEHISPVXNHQEHO-JKSUJKDBSA-N 0 3 379.472 0.969 20 0 GCADHN COc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1OC ZINC000737090781 598517864 /nfs/dbraw/zinc/51/78/64/598517864.db2.gz UEHFNHPCYZGMGK-ZDUSSCGKSA-N 0 3 384.444 0.954 20 0 GCADHN COc1ccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1OC ZINC000737090781 598517865 /nfs/dbraw/zinc/51/78/65/598517865.db2.gz UEHFNHPCYZGMGK-ZDUSSCGKSA-N 0 3 384.444 0.954 20 0 GCADHN CC(C)CN1CCO[C@@H](C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735835527 598518325 /nfs/dbraw/zinc/51/83/25/598518325.db2.gz JRKZAJUOMKBVMF-KBPBESRZSA-N 0 3 375.481 0.051 20 0 GCADHN CC(C)CN1CCO[C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000735835527 598518326 /nfs/dbraw/zinc/51/83/26/598518326.db2.gz JRKZAJUOMKBVMF-KBPBESRZSA-N 0 3 375.481 0.051 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CCN1CCc3ccccc3C1)C2 ZINC000738443593 598520637 /nfs/dbraw/zinc/52/06/37/598520637.db2.gz YLMNGBKCWGNROT-CQSZACIVSA-N 0 3 379.472 0.753 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CCN1CCc3ccccc3C1)C2 ZINC000738443593 598520638 /nfs/dbraw/zinc/52/06/38/598520638.db2.gz YLMNGBKCWGNROT-CQSZACIVSA-N 0 3 379.472 0.753 20 0 GCADHN c1ncn(Cc2ccc(C[NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2)n1 ZINC000738450750 598521199 /nfs/dbraw/zinc/52/11/99/598521199.db2.gz WUIWGLYSDICXCB-HNNXBMFYSA-N 0 3 391.443 0.535 20 0 GCADHN c1ncn(Cc2ccc(C[NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2)n1 ZINC000738450750 598521200 /nfs/dbraw/zinc/52/12/00/598521200.db2.gz WUIWGLYSDICXCB-HNNXBMFYSA-N 0 3 391.443 0.535 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CCc1nnc3n1CCCCC3)C2 ZINC000738448998 598521463 /nfs/dbraw/zinc/52/14/63/598521463.db2.gz CPWGPXPBYTVKGE-LBPRGKRZSA-N 0 3 383.464 0.255 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CCc1nnc3n1CCCCC3)C2 ZINC000738448998 598521465 /nfs/dbraw/zinc/52/14/65/598521465.db2.gz CPWGPXPBYTVKGE-LBPRGKRZSA-N 0 3 383.464 0.255 20 0 GCADHN COCCOc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cn1 ZINC000737013609 598522881 /nfs/dbraw/zinc/52/28/81/598522881.db2.gz BBIJTYTWKAVEGW-CYBMUJFWSA-N 0 3 385.432 0.315 20 0 GCADHN COCCOc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cn1 ZINC000737013609 598522883 /nfs/dbraw/zinc/52/28/83/598522883.db2.gz BBIJTYTWKAVEGW-CYBMUJFWSA-N 0 3 385.432 0.315 20 0 GCADHN FC(F)(F)CN1CC[C@H](C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737627745 598523734 /nfs/dbraw/zinc/52/37/34/598523734.db2.gz PMJKIADZUJXKNM-MNOVXSKESA-N 0 3 385.398 0.579 20 0 GCADHN FC(F)(F)CN1CC[C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737627745 598523736 /nfs/dbraw/zinc/52/37/36/598523736.db2.gz PMJKIADZUJXKNM-MNOVXSKESA-N 0 3 385.398 0.579 20 0 GCADHN CCNC(=O)c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736577747 598524157 /nfs/dbraw/zinc/52/41/57/598524157.db2.gz MPURBNIOPQEJLJ-ZDUSSCGKSA-N 0 3 381.444 0.644 20 0 GCADHN CCNC(=O)c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736577747 598524158 /nfs/dbraw/zinc/52/41/58/598524158.db2.gz MPURBNIOPQEJLJ-ZDUSSCGKSA-N 0 3 381.444 0.644 20 0 GCADHN C[C@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)NCc1ccccc1 ZINC000736133249 598524443 /nfs/dbraw/zinc/52/44/43/598524443.db2.gz GRDCFTIHSVIOND-JSGCOSHPSA-N 0 3 381.444 0.399 20 0 GCADHN Cc1nccn1-c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cn1 ZINC000737500062 598524905 /nfs/dbraw/zinc/52/49/05/598524905.db2.gz CBLUIHOABAKWHD-CQSZACIVSA-N 0 3 391.443 0.784 20 0 GCADHN Cc1nccn1-c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cn1 ZINC000737500062 598524906 /nfs/dbraw/zinc/52/49/06/598524906.db2.gz CBLUIHOABAKWHD-CQSZACIVSA-N 0 3 391.443 0.784 20 0 GCADHN Cc1ccc(C(=O)NCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737311773 598524966 /nfs/dbraw/zinc/52/49/66/598524966.db2.gz DVCNNWKQRMYKJI-ZDUSSCGKSA-N 0 3 381.444 0.433 20 0 GCADHN Cc1ccc(C(=O)NCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737311773 598524967 /nfs/dbraw/zinc/52/49/67/598524967.db2.gz DVCNNWKQRMYKJI-ZDUSSCGKSA-N 0 3 381.444 0.433 20 0 GCADHN O=C(C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Nc1ccc(Cl)cc1 ZINC000737894662 598525260 /nfs/dbraw/zinc/52/52/60/598525260.db2.gz ISQCKSSEOJNVTM-SNVBAGLBSA-N 0 3 387.835 0.987 20 0 GCADHN CC(C)CC(=O)N1CCC([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000735759732 598525496 /nfs/dbraw/zinc/52/54/96/598525496.db2.gz XBCZHDBNXDITAV-CYBMUJFWSA-N 0 3 387.492 0.732 20 0 GCADHN CC(C)CC(=O)N1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000735759732 598525498 /nfs/dbraw/zinc/52/54/98/598525498.db2.gz XBCZHDBNXDITAV-CYBMUJFWSA-N 0 3 387.492 0.732 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)C2 ZINC000738434234 598527021 /nfs/dbraw/zinc/52/70/21/598527021.db2.gz AIPFOFVQQAMJSW-CQSZACIVSA-N 0 3 395.471 0.731 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)C2 ZINC000738434234 598527022 /nfs/dbraw/zinc/52/70/22/598527022.db2.gz AIPFOFVQQAMJSW-CQSZACIVSA-N 0 3 395.471 0.731 20 0 GCADHN O=C(CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NCc1ccccc1 ZINC000737845885 598528746 /nfs/dbraw/zinc/52/87/46/598528746.db2.gz AVPLTWNXBONKGX-AWEZNQCLSA-N 0 3 381.444 0.401 20 0 GCADHN O=C(CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)NCc1ccccc1 ZINC000737845885 598528747 /nfs/dbraw/zinc/52/87/47/598528747.db2.gz AVPLTWNXBONKGX-AWEZNQCLSA-N 0 3 381.444 0.401 20 0 GCADHN CCOC(=O)N[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)CC(C)C ZINC000736600185 598531230 /nfs/dbraw/zinc/53/12/30/598531230.db2.gz KQWMSYVLENRFNO-OLZOCXBDSA-N 0 3 391.480 0.855 20 0 GCADHN CCOC(=O)N[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)CC(C)C ZINC000736600185 598531231 /nfs/dbraw/zinc/53/12/31/598531231.db2.gz KQWMSYVLENRFNO-OLZOCXBDSA-N 0 3 391.480 0.855 20 0 GCADHN C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735987280 598563145 /nfs/dbraw/zinc/56/31/45/598563145.db2.gz XQQKCCZJWVVGGB-VIFPVBQESA-N 0 3 397.386 0.863 20 0 GCADHN C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735987280 598563148 /nfs/dbraw/zinc/56/31/48/598563148.db2.gz XQQKCCZJWVVGGB-VIFPVBQESA-N 0 3 397.386 0.863 20 0 GCADHN C[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736852938 598563704 /nfs/dbraw/zinc/56/37/04/598563704.db2.gz SWIDZDYLDNADDP-UHFFFAOYSA-N 0 3 395.370 0.617 20 0 GCADHN CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736745877 598567927 /nfs/dbraw/zinc/56/79/27/598567927.db2.gz JQJNCSXNSKHZKC-GDBMZVCRSA-N 0 3 395.471 0.394 20 0 GCADHN C[NH+](C)[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736756779 598600274 /nfs/dbraw/zinc/60/02/74/598600274.db2.gz LQKBKODULFHTKW-KSSFIOAISA-N 0 3 384.444 0.227 20 0 GCADHN C[NH+](C)[C@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736757725 598607844 /nfs/dbraw/zinc/60/78/44/598607844.db2.gz XGYAOWKWUIFUDX-HNNXBMFYSA-N 0 3 385.476 0.576 20 0 GCADHN C[NH+](C)[C@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736757725 598607846 /nfs/dbraw/zinc/60/78/46/598607846.db2.gz XGYAOWKWUIFUDX-HNNXBMFYSA-N 0 3 385.476 0.576 20 0 GCADHN CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736481077 598638423 /nfs/dbraw/zinc/63/84/23/598638423.db2.gz SNWFLOAIFVNPTK-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736481077 598638425 /nfs/dbraw/zinc/63/84/25/598638425.db2.gz SNWFLOAIFVNPTK-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736481077 598638427 /nfs/dbraw/zinc/63/84/27/598638427.db2.gz SNWFLOAIFVNPTK-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736481077 598638429 /nfs/dbraw/zinc/63/84/29/598638429.db2.gz SNWFLOAIFVNPTK-NSHDSACASA-N 0 3 375.408 0.792 20 0 GCADHN O=C(CNc1ccc(-c2nn[nH]n2)cc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000737895323 598670752 /nfs/dbraw/zinc/67/07/52/598670752.db2.gz ORBBAHVTYAWNRB-UHFFFAOYSA-N 0 3 398.471 0.045 20 0 GCADHN O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000738355832 598689388 /nfs/dbraw/zinc/68/93/88/598689388.db2.gz UYYUYCNTEGWPIF-UHFFFAOYSA-N 0 3 389.416 0.912 20 0 GCADHN O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000738355832 598689389 /nfs/dbraw/zinc/68/93/89/598689389.db2.gz UYYUYCNTEGWPIF-UHFFFAOYSA-N 0 3 389.416 0.912 20 0 GCADHN CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000736741566 598697344 /nfs/dbraw/zinc/69/73/44/598697344.db2.gz FTIQVYIKDKBCNM-HNNXBMFYSA-N 0 3 393.455 0.943 20 0 GCADHN CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000736741566 598697346 /nfs/dbraw/zinc/69/73/46/598697346.db2.gz FTIQVYIKDKBCNM-HNNXBMFYSA-N 0 3 393.455 0.943 20 0 GCADHN COC(=O)CNC(=O)CC[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736931051 598700516 /nfs/dbraw/zinc/70/05/16/598700516.db2.gz MCUCDKCRKTYEPD-UHFFFAOYSA-N 0 3 387.444 0.058 20 0 GCADHN COC(=O)CNC(=O)CC[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736931051 598700518 /nfs/dbraw/zinc/70/05/18/598700518.db2.gz MCUCDKCRKTYEPD-UHFFFAOYSA-N 0 3 387.444 0.058 20 0 GCADHN COC(=O)CNC(=O)CC[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736931051 598700520 /nfs/dbraw/zinc/70/05/20/598700520.db2.gz MCUCDKCRKTYEPD-UHFFFAOYSA-N 0 3 387.444 0.058 20 0 GCADHN COC(=O)CNC(=O)CC[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736931051 598700522 /nfs/dbraw/zinc/70/05/22/598700522.db2.gz MCUCDKCRKTYEPD-UHFFFAOYSA-N 0 3 387.444 0.058 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736858801 598701636 /nfs/dbraw/zinc/70/16/36/598701636.db2.gz BQOUJYZSIPPKOG-SFHVURJKSA-N 0 3 398.515 0.907 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736858801 598701638 /nfs/dbraw/zinc/70/16/38/598701638.db2.gz BQOUJYZSIPPKOG-SFHVURJKSA-N 0 3 398.515 0.907 20 0 GCADHN CCc1cccc(NC(=O)C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736701219 598713880 /nfs/dbraw/zinc/71/38/80/598713880.db2.gz XNALRLFLYYDTPK-CYBMUJFWSA-N 0 3 381.444 0.896 20 0 GCADHN O=C(C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NCCc1ccccc1 ZINC000737894647 598714555 /nfs/dbraw/zinc/71/45/55/598714555.db2.gz IRBOXXVRDAAZCH-CQSZACIVSA-N 0 3 381.444 0.053 20 0 GCADHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737007234 598732195 /nfs/dbraw/zinc/73/21/95/598732195.db2.gz LJWFDIHZVQFKJY-CQSZACIVSA-N 0 3 389.464 0.084 20 0 GCADHN COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737007234 598732197 /nfs/dbraw/zinc/73/21/97/598732197.db2.gz LJWFDIHZVQFKJY-CQSZACIVSA-N 0 3 389.464 0.084 20 0 GCADHN O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000738031823 598732911 /nfs/dbraw/zinc/73/29/11/598732911.db2.gz IJHMDQDSPPZXNM-INIZCTEOSA-N 0 3 397.487 0.720 20 0 GCADHN O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000738031823 598732914 /nfs/dbraw/zinc/73/29/14/598732914.db2.gz IJHMDQDSPPZXNM-INIZCTEOSA-N 0 3 397.487 0.720 20 0 GCADHN O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000738031823 598732915 /nfs/dbraw/zinc/73/29/15/598732915.db2.gz IJHMDQDSPPZXNM-INIZCTEOSA-N 0 3 397.487 0.720 20 0 GCADHN O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000738031823 598732917 /nfs/dbraw/zinc/73/29/17/598732917.db2.gz IJHMDQDSPPZXNM-INIZCTEOSA-N 0 3 397.487 0.720 20 0 GCADHN O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738031824 598732943 /nfs/dbraw/zinc/73/29/43/598732943.db2.gz IJHMDQDSPPZXNM-MRXNPFEDSA-N 0 3 397.487 0.720 20 0 GCADHN O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000738031824 598732945 /nfs/dbraw/zinc/73/29/45/598732945.db2.gz IJHMDQDSPPZXNM-MRXNPFEDSA-N 0 3 397.487 0.720 20 0 GCADHN O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000738031824 598732946 /nfs/dbraw/zinc/73/29/46/598732946.db2.gz IJHMDQDSPPZXNM-MRXNPFEDSA-N 0 3 397.487 0.720 20 0 GCADHN O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000738031824 598732948 /nfs/dbraw/zinc/73/29/48/598732948.db2.gz IJHMDQDSPPZXNM-MRXNPFEDSA-N 0 3 397.487 0.720 20 0 GCADHN O=C(CC[N@@H+]1CCNC(=O)CC1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000738303875 598761454 /nfs/dbraw/zinc/76/14/54/598761454.db2.gz ISVNJNZTLAGQTH-UHFFFAOYSA-N 0 3 375.458 0.567 20 0 GCADHN O=C(CC[N@H+]1CCNC(=O)CC1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000738303875 598761455 /nfs/dbraw/zinc/76/14/55/598761455.db2.gz ISVNJNZTLAGQTH-UHFFFAOYSA-N 0 3 375.458 0.567 20 0 GCADHN C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736768286 598762035 /nfs/dbraw/zinc/76/20/35/598762035.db2.gz CIEXAKRNEIMULC-UHFFFAOYSA-N 0 3 387.444 0.374 20 0 GCADHN C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736768286 598762037 /nfs/dbraw/zinc/76/20/37/598762037.db2.gz CIEXAKRNEIMULC-UHFFFAOYSA-N 0 3 387.444 0.374 20 0 GCADHN CCCC[N@H+](C)CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736453007 598784104 /nfs/dbraw/zinc/78/41/04/598784104.db2.gz JSKZMCZLEGMGLS-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736453007 598784105 /nfs/dbraw/zinc/78/41/05/598784105.db2.gz JSKZMCZLEGMGLS-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCCC[N@H+](C)CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736453007 598784106 /nfs/dbraw/zinc/78/41/06/598784106.db2.gz JSKZMCZLEGMGLS-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736453007 598784107 /nfs/dbraw/zinc/78/41/07/598784107.db2.gz JSKZMCZLEGMGLS-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735707596 598811218 /nfs/dbraw/zinc/81/12/18/598811218.db2.gz JEYMOZLVEQAVBP-OAHLLOKOSA-N 0 3 383.460 0.951 20 0 GCADHN CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735707596 598811220 /nfs/dbraw/zinc/81/12/20/598811220.db2.gz JEYMOZLVEQAVBP-OAHLLOKOSA-N 0 3 383.460 0.951 20 0 GCADHN CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735707592 598811595 /nfs/dbraw/zinc/81/15/95/598811595.db2.gz JEYMOZLVEQAVBP-HNNXBMFYSA-N 0 3 383.460 0.951 20 0 GCADHN CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735707592 598811597 /nfs/dbraw/zinc/81/15/97/598811597.db2.gz JEYMOZLVEQAVBP-HNNXBMFYSA-N 0 3 383.460 0.951 20 0 GCADHN CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736570408 598814450 /nfs/dbraw/zinc/81/44/50/598814450.db2.gz MPJULTWCQJUYGV-ZDUSSCGKSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736570408 598814452 /nfs/dbraw/zinc/81/44/52/598814452.db2.gz MPJULTWCQJUYGV-ZDUSSCGKSA-N 0 3 381.444 0.849 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[C@@H]1[NH+](C)C ZINC000736290403 599297786 /nfs/dbraw/zinc/29/77/86/599297786.db2.gz IZIVCKKBNMUKQM-ABAIWWIYSA-N 0 3 381.444 0.657 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C[C@@H]1[NH+](C)C ZINC000736290403 599297787 /nfs/dbraw/zinc/29/77/87/599297787.db2.gz IZIVCKKBNMUKQM-ABAIWWIYSA-N 0 3 381.444 0.657 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](CCOc3ccccc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000735465775 599297925 /nfs/dbraw/zinc/29/79/25/599297925.db2.gz NJFJVUBNQZSHOI-QAPCUYQASA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](CCOc3ccccc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000735465775 599297928 /nfs/dbraw/zinc/29/79/28/599297928.db2.gz NJFJVUBNQZSHOI-QAPCUYQASA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](CCOc3ccccc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000735465775 599297931 /nfs/dbraw/zinc/29/79/31/599297931.db2.gz NJFJVUBNQZSHOI-QAPCUYQASA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](CCOc3ccccc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000735465775 599297933 /nfs/dbraw/zinc/29/79/33/599297933.db2.gz NJFJVUBNQZSHOI-QAPCUYQASA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(F)cc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000735465763 599298271 /nfs/dbraw/zinc/29/82/71/599298271.db2.gz NARVUZPVPDVLHT-ACJLOTCBSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(F)cc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000735465763 599298273 /nfs/dbraw/zinc/29/82/73/599298273.db2.gz NARVUZPVPDVLHT-ACJLOTCBSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](CCOc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C)CC1 ZINC000735464661 599298430 /nfs/dbraw/zinc/29/84/30/599298430.db2.gz CQATYKYVWWDJGM-KXBFYZLASA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](CCOc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C)CC1 ZINC000735464661 599298432 /nfs/dbraw/zinc/29/84/32/599298432.db2.gz CQATYKYVWWDJGM-KXBFYZLASA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](CCOc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C)CC1 ZINC000735464661 599298433 /nfs/dbraw/zinc/29/84/33/599298433.db2.gz CQATYKYVWWDJGM-KXBFYZLASA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](CCOc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C)CC1 ZINC000735464661 599298435 /nfs/dbraw/zinc/29/84/35/599298435.db2.gz CQATYKYVWWDJGM-KXBFYZLASA-N 0 3 399.499 0.730 20 0 GCADHN O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCC[NH+]1CCC(O)CC1 ZINC000737941227 599346542 /nfs/dbraw/zinc/34/65/42/599346542.db2.gz JOQVRBBUTVDANO-UHFFFAOYSA-N 0 3 376.486 0.922 20 0 GCADHN COc1ccc(C[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)cc1-c1nnn[n-]1 ZINC000821818667 599407558 /nfs/dbraw/zinc/40/75/58/599407558.db2.gz XEQPARAYQUKGEE-UHFFFAOYSA-N 0 3 395.423 0.380 20 0 GCADHN COc1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000821809343 599422563 /nfs/dbraw/zinc/42/25/63/599422563.db2.gz NLQPIBYURIZURJ-UHFFFAOYSA-N 0 3 380.474 0.637 20 0 GCADHN COc1ccc(C[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000821809343 599422565 /nfs/dbraw/zinc/42/25/65/599422565.db2.gz NLQPIBYURIZURJ-UHFFFAOYSA-N 0 3 380.474 0.637 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821690312 599443973 /nfs/dbraw/zinc/44/39/73/599443973.db2.gz FNBWVESODRSIDK-AWEZNQCLSA-N 0 3 375.433 0.265 20 0 GCADHN Cc1nn(C)c(N2CCOCC2)c1CNCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822496783 599450575 /nfs/dbraw/zinc/45/05/75/599450575.db2.gz UOZSZCHZVROKEC-UHFFFAOYSA-N 0 3 398.471 0.914 20 0 GCADHN Cn1c(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)nc2cc(F)ccc21 ZINC000737593469 599452364 /nfs/dbraw/zinc/45/23/64/599452364.db2.gz UDZJAIOQSGNYBD-JTQLQIEISA-N 0 3 382.407 0.921 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(=O)N1c1ccccc1 ZINC000820656886 599453697 /nfs/dbraw/zinc/45/36/97/599453697.db2.gz HZDNJIWSSTYDLY-XJKCOSOUSA-N 0 3 393.455 0.889 20 0 GCADHN CC[NH+]1CCC(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821242976 599468607 /nfs/dbraw/zinc/46/86/07/599468607.db2.gz XZYOXBUABYLFJW-UHFFFAOYSA-N 0 3 385.472 0.835 20 0 GCADHN CC[NH+]1CCC(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821242976 599468609 /nfs/dbraw/zinc/46/86/09/599468609.db2.gz XZYOXBUABYLFJW-UHFFFAOYSA-N 0 3 385.472 0.835 20 0 GCADHN CCCNC(=O)CN1CCC([NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000736482894 599484138 /nfs/dbraw/zinc/48/41/38/599484138.db2.gz BJBXEWZWOQZUHY-UHFFFAOYSA-N 0 3 397.487 0.595 20 0 GCADHN CCCNC(=O)CN1CCC([NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000736482894 599484139 /nfs/dbraw/zinc/48/41/39/599484139.db2.gz BJBXEWZWOQZUHY-UHFFFAOYSA-N 0 3 397.487 0.595 20 0 GCADHN CC[C@H](CO)[NH2+]CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1CCCOC ZINC000736355160 599517698 /nfs/dbraw/zinc/51/76/98/599517698.db2.gz YOAGQNJZDHMCOY-CYBMUJFWSA-N 0 3 379.465 0.621 20 0 GCADHN NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822895156 599545754 /nfs/dbraw/zinc/54/57/54/599545754.db2.gz LTEXUFLEQIXMOI-LBPRGKRZSA-N 0 3 377.474 0.579 20 0 GCADHN NS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822895156 599545756 /nfs/dbraw/zinc/54/57/56/599545756.db2.gz LTEXUFLEQIXMOI-LBPRGKRZSA-N 0 3 377.474 0.579 20 0 GCADHN Cc1ccoc1C(=O)NCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737442749 599600164 /nfs/dbraw/zinc/60/01/64/599600164.db2.gz GWDSXLMJCADVAG-LBPRGKRZSA-N 0 3 385.432 0.416 20 0 GCADHN Cc1ccoc1C(=O)NCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737442749 599600166 /nfs/dbraw/zinc/60/01/66/599600166.db2.gz GWDSXLMJCADVAG-LBPRGKRZSA-N 0 3 385.432 0.416 20 0 GCADHN O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823308795 599613806 /nfs/dbraw/zinc/61/38/06/599613806.db2.gz JQLXTGCTBLEZGK-MRXNPFEDSA-N 0 3 399.455 0.565 20 0 GCADHN Cc1nc(CN(C)[C@@H]2CC[N@H+](C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)no1 ZINC000822439673 607445054 /nfs/dbraw/zinc/44/50/54/607445054.db2.gz DGFVWTIXJIIZFK-CHWSQXEVSA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)no1 ZINC000822439673 607445056 /nfs/dbraw/zinc/44/50/56/607445056.db2.gz DGFVWTIXJIIZFK-CHWSQXEVSA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@@H]2CC[N@H+](C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)no1 ZINC000822439673 607445058 /nfs/dbraw/zinc/44/50/58/607445058.db2.gz DGFVWTIXJIIZFK-CHWSQXEVSA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@@H]2CC[N@@H+](C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)no1 ZINC000822439673 607445060 /nfs/dbraw/zinc/44/50/60/607445060.db2.gz DGFVWTIXJIIZFK-CHWSQXEVSA-N 0 3 399.463 0.003 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nnn[n-]1 ZINC000826193739 607508546 /nfs/dbraw/zinc/50/85/46/607508546.db2.gz NMLYKYQYPACATC-KBXCAEBGSA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@H+]2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nnn[n-]1 ZINC000826193739 607508547 /nfs/dbraw/zinc/50/85/47/607508547.db2.gz NMLYKYQYPACATC-KBXCAEBGSA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nn[n-]n1 ZINC000826193739 607508548 /nfs/dbraw/zinc/50/85/48/607508548.db2.gz NMLYKYQYPACATC-KBXCAEBGSA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@H+]2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nn[n-]n1 ZINC000826193739 607508549 /nfs/dbraw/zinc/50/85/49/607508549.db2.gz NMLYKYQYPACATC-KBXCAEBGSA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000826192116 607515083 /nfs/dbraw/zinc/51/50/83/607515083.db2.gz ACDAMTFZOLGMHI-UHFFFAOYSA-N 0 3 380.474 0.731 20 0 GCADHN COc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000826192116 607515084 /nfs/dbraw/zinc/51/50/84/607515084.db2.gz ACDAMTFZOLGMHI-UHFFFAOYSA-N 0 3 380.474 0.731 20 0 GCADHN COc1ccc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000826192116 607515085 /nfs/dbraw/zinc/51/50/85/607515085.db2.gz ACDAMTFZOLGMHI-UHFFFAOYSA-N 0 3 380.474 0.731 20 0 GCADHN COc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000826192116 607515086 /nfs/dbraw/zinc/51/50/86/607515086.db2.gz ACDAMTFZOLGMHI-UHFFFAOYSA-N 0 3 380.474 0.731 20 0 GCADHN COC(=O)[C@H](O)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826112209 607526077 /nfs/dbraw/zinc/52/60/77/607526077.db2.gz VCSBJFZMMAYYAA-MRXNPFEDSA-N 0 3 388.428 0.441 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000826183161 607527447 /nfs/dbraw/zinc/52/74/47/607527447.db2.gz GSPLZRJWYBCNFV-QGZVFWFLSA-N 0 3 387.488 0.324 20 0 GCADHN COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826159642 607565472 /nfs/dbraw/zinc/56/54/72/607565472.db2.gz MKYFHAUFZDXRFB-CQSZACIVSA-N 0 3 389.460 0.785 20 0 GCADHN COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826159642 607565474 /nfs/dbraw/zinc/56/54/74/607565474.db2.gz MKYFHAUFZDXRFB-CQSZACIVSA-N 0 3 389.460 0.785 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825848260 607615031 /nfs/dbraw/zinc/61/50/31/607615031.db2.gz BBIBFJNKVNVQLU-OIISXLGYSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825848259 607615140 /nfs/dbraw/zinc/61/51/40/607615140.db2.gz BBIBFJNKVNVQLU-HYVNUMGLSA-N 0 3 386.456 0.956 20 0 GCADHN COc1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1-c1nnn[n-]1 ZINC000826200255 607620614 /nfs/dbraw/zinc/62/06/14/607620614.db2.gz GXPOIPOGWDATKR-UHFFFAOYSA-N 0 3 385.432 0.955 20 0 GCADHN COc1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1-c1nn[n-]n1 ZINC000826200255 607620615 /nfs/dbraw/zinc/62/06/15/607620615.db2.gz GXPOIPOGWDATKR-UHFFFAOYSA-N 0 3 385.432 0.955 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(-c2nn[n-]n2)c1 ZINC000826490978 607634641 /nfs/dbraw/zinc/63/46/41/607634641.db2.gz OZXSWJNUOHHMJZ-CQSZACIVSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(-c2nn[n-]n2)c1 ZINC000826490978 607634643 /nfs/dbraw/zinc/63/46/43/607634643.db2.gz OZXSWJNUOHHMJZ-CQSZACIVSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(-c2nn[n-]n2)c1 ZINC000826490977 607634769 /nfs/dbraw/zinc/63/47/69/607634769.db2.gz OZXSWJNUOHHMJZ-AWEZNQCLSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(-c2nn[n-]n2)c1 ZINC000826490977 607634770 /nfs/dbraw/zinc/63/47/70/607634770.db2.gz OZXSWJNUOHHMJZ-AWEZNQCLSA-N 0 3 380.474 0.382 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000826254958 607637748 /nfs/dbraw/zinc/63/77/48/607637748.db2.gz GXKMFDMPUJAZLI-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000826254958 607637750 /nfs/dbraw/zinc/63/77/50/607637750.db2.gz GXKMFDMPUJAZLI-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000826254958 607637753 /nfs/dbraw/zinc/63/77/53/607637753.db2.gz GXKMFDMPUJAZLI-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000826254958 607637754 /nfs/dbraw/zinc/63/77/54/607637754.db2.gz GXKMFDMPUJAZLI-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000826248090 607688208 /nfs/dbraw/zinc/68/82/08/607688208.db2.gz WDDGRUJRDGFTOG-UHFFFAOYSA-N 0 3 385.472 0.848 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000826248090 607688209 /nfs/dbraw/zinc/68/82/09/607688209.db2.gz WDDGRUJRDGFTOG-UHFFFAOYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000833627534 605206260 /nfs/dbraw/zinc/20/62/60/605206260.db2.gz XQVPGOBMVJKCKR-HNNXBMFYSA-N 0 3 375.473 0.454 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000833627534 605206261 /nfs/dbraw/zinc/20/62/61/605206261.db2.gz XQVPGOBMVJKCKR-HNNXBMFYSA-N 0 3 375.473 0.454 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000826504108 607749276 /nfs/dbraw/zinc/74/92/76/607749276.db2.gz NHEFPFZKOKAWJS-GDBMZVCRSA-N 0 3 384.444 0.610 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000826504108 607749277 /nfs/dbraw/zinc/74/92/77/607749277.db2.gz NHEFPFZKOKAWJS-GDBMZVCRSA-N 0 3 384.444 0.610 20 0 GCADHN O=C(COc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000826417855 607753002 /nfs/dbraw/zinc/75/30/02/607753002.db2.gz IVBBGOJYCSKISB-KRWDZBQOSA-N 0 3 386.456 0.959 20 0 GCADHN O=S(=O)(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000826484637 607753120 /nfs/dbraw/zinc/75/31/20/607753120.db2.gz KBSLUEJIAXHSRI-VIFPVBQESA-N 0 3 385.496 0.914 20 0 GCADHN C[NH+](C)C[C@@](C)(O)CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825854866 607777144 /nfs/dbraw/zinc/77/71/44/607777144.db2.gz CSCIHMUPRPFEPA-SFHVURJKSA-N 0 3 376.461 0.845 20 0 GCADHN C[NH+](C)C[C@@](C)(O)CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825854866 607777145 /nfs/dbraw/zinc/77/71/45/607777145.db2.gz CSCIHMUPRPFEPA-SFHVURJKSA-N 0 3 376.461 0.845 20 0 GCADHN CC(C)(O)C[N@H+](C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000819991845 606081508 /nfs/dbraw/zinc/08/15/08/606081508.db2.gz MOQNQPXGKQGBBC-MRXNPFEDSA-N 0 3 391.472 0.858 20 0 GCADHN CC(C)(O)C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000819991845 606081514 /nfs/dbraw/zinc/08/15/14/606081514.db2.gz MOQNQPXGKQGBBC-MRXNPFEDSA-N 0 3 391.472 0.858 20 0 GCADHN O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000823613425 606084105 /nfs/dbraw/zinc/08/41/05/606084105.db2.gz IOBJKXADWMGKGO-MRXNPFEDSA-N 0 3 376.486 0.608 20 0 GCADHN CCC[N@H+](CC)CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821094136 606117948 /nfs/dbraw/zinc/11/79/48/606117948.db2.gz DWILQWWYHGHJPV-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCC[N@@H+](CC)CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821094136 606117950 /nfs/dbraw/zinc/11/79/50/606117950.db2.gz DWILQWWYHGHJPV-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCC[N@H+](CC)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821094136 606117952 /nfs/dbraw/zinc/11/79/52/606117952.db2.gz DWILQWWYHGHJPV-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCC[N@@H+](CC)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821094136 606117953 /nfs/dbraw/zinc/11/79/53/606117953.db2.gz DWILQWWYHGHJPV-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821587037 606143795 /nfs/dbraw/zinc/14/37/95/606143795.db2.gz CTTYJSFRMXXONE-UHFFFAOYSA-N 0 3 398.464 0.737 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821587037 606143796 /nfs/dbraw/zinc/14/37/96/606143796.db2.gz CTTYJSFRMXXONE-UHFFFAOYSA-N 0 3 398.464 0.737 20 0 GCADHN C[NH+]1CCC(O)(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821623078 606152342 /nfs/dbraw/zinc/15/23/42/606152342.db2.gz BTUFBMMQXGYPAX-UHFFFAOYSA-N 0 3 388.472 0.989 20 0 GCADHN C[NH+](C)[C@@]1(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CCSC1 ZINC000821581060 606241145 /nfs/dbraw/zinc/24/11/45/606241145.db2.gz BLWFQVNQNYQWCW-CQSZACIVSA-N 0 3 383.503 0.363 20 0 GCADHN C[NH+](C)[C@@]1(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CCSC1 ZINC000821581060 606241146 /nfs/dbraw/zinc/24/11/46/606241146.db2.gz BLWFQVNQNYQWCW-CQSZACIVSA-N 0 3 383.503 0.363 20 0 GCADHN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000820683958 606284199 /nfs/dbraw/zinc/28/41/99/606284199.db2.gz KBRUAYZZLZVILM-GASCZTMLSA-N 0 3 386.504 0.836 20 0 GCADHN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000820683958 606284201 /nfs/dbraw/zinc/28/42/01/606284201.db2.gz KBRUAYZZLZVILM-GASCZTMLSA-N 0 3 386.504 0.836 20 0 GCADHN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000820683958 606284203 /nfs/dbraw/zinc/28/42/03/606284203.db2.gz KBRUAYZZLZVILM-GASCZTMLSA-N 0 3 386.504 0.836 20 0 GCADHN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000820683958 606284205 /nfs/dbraw/zinc/28/42/05/606284205.db2.gz KBRUAYZZLZVILM-GASCZTMLSA-N 0 3 386.504 0.836 20 0 GCADHN C[NH+](C)C[C@@H]1CN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CCO1 ZINC000821584740 606320313 /nfs/dbraw/zinc/32/03/13/606320313.db2.gz QRUFGUAVPCDUHH-DGCLKSJQSA-N 0 3 377.474 0.296 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000821652679 606333010 /nfs/dbraw/zinc/33/30/10/606333010.db2.gz XVQUQEXMCIGFDJ-PBHICJAKSA-N 0 3 386.456 0.735 20 0 GCADHN C[NH+](C)C1CCN(CCNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821583378 606384373 /nfs/dbraw/zinc/38/43/73/606384373.db2.gz SXORDSUXYOGYBF-UHFFFAOYSA-N 0 3 390.467 0.831 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000820127637 606385241 /nfs/dbraw/zinc/38/52/41/606385241.db2.gz KSLVJIQXAJPUOY-UHFFFAOYSA-N 0 3 375.433 0.351 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000820127637 606385243 /nfs/dbraw/zinc/38/52/43/606385243.db2.gz KSLVJIQXAJPUOY-UHFFFAOYSA-N 0 3 375.433 0.351 20 0 GCADHN CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821254821 606401192 /nfs/dbraw/zinc/40/11/92/606401192.db2.gz OOIYUHCMMXVXEI-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821254821 606401193 /nfs/dbraw/zinc/40/11/93/606401193.db2.gz OOIYUHCMMXVXEI-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCOCC1 ZINC000821581231 606401484 /nfs/dbraw/zinc/40/14/84/606401484.db2.gz GUAWCLOQFDTTIB-UHFFFAOYSA-N 0 3 391.407 0.171 20 0 GCADHN C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCOCC1 ZINC000821581231 606401486 /nfs/dbraw/zinc/40/14/86/606401486.db2.gz GUAWCLOQFDTTIB-UHFFFAOYSA-N 0 3 391.407 0.171 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821255367 606404259 /nfs/dbraw/zinc/40/42/59/606404259.db2.gz ZABOPLHPFRETCC-GFCCVEGCSA-N 0 3 375.408 0.887 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821255367 606404260 /nfs/dbraw/zinc/40/42/60/606404260.db2.gz ZABOPLHPFRETCC-GFCCVEGCSA-N 0 3 375.408 0.887 20 0 GCADHN C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCSC1 ZINC000821580989 606404358 /nfs/dbraw/zinc/40/43/58/606404358.db2.gz ANOXAASPRUPAOA-MRXNPFEDSA-N 0 3 393.448 0.498 20 0 GCADHN C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000820524846 606548454 /nfs/dbraw/zinc/54/84/54/606548454.db2.gz AXYISGMKMVIFEU-MRXNPFEDSA-N 0 3 399.499 0.874 20 0 GCADHN O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000823031750 606548710 /nfs/dbraw/zinc/54/87/10/606548710.db2.gz ICPPZYMTAHHWFG-UHFFFAOYSA-N 0 3 385.472 0.486 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000821587175 606572862 /nfs/dbraw/zinc/57/28/62/606572862.db2.gz KGZWBIGCIAHVPD-UHFFFAOYSA-N 0 3 389.445 0.055 20 0 GCADHN O=C(CCN1CC[NH+](C[C@H]2CCOC2)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000822969588 606619079 /nfs/dbraw/zinc/61/90/79/606619079.db2.gz SAMSAFSJTUJQRW-CYBMUJFWSA-N 0 3 391.501 0.911 20 0 GCADHN O=C(CCN1CC[NH+](C[C@H]2CCOC2)CC1)Nc1sccc1-c1nn[n-]n1 ZINC000822969588 606619081 /nfs/dbraw/zinc/61/90/81/606619081.db2.gz SAMSAFSJTUJQRW-CYBMUJFWSA-N 0 3 391.501 0.911 20 0 GCADHN CNS(=O)(=O)C[C@H]1CCCN1CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821636182 606623456 /nfs/dbraw/zinc/62/34/56/606623456.db2.gz IFAOZNDLOBDPFX-CQSZACIVSA-N 0 3 380.474 0.649 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000821649701 606623654 /nfs/dbraw/zinc/62/36/54/606623654.db2.gz BFYBLUSLXKQLOV-YOEHRIQHSA-N 0 3 386.456 0.735 20 0 GCADHN O=C1[C@@H](N2CCN(C[C@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823505306 606624380 /nfs/dbraw/zinc/62/43/80/606624380.db2.gz ZUYJZYKETQWENT-QAPCUYQASA-N 0 3 397.483 0.626 20 0 GCADHN O=C1[C@H](N2CCN(C[C@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823505302 606624418 /nfs/dbraw/zinc/62/44/18/606624418.db2.gz ZUYJZYKETQWENT-CRAIPNDOSA-N 0 3 397.483 0.626 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821240947 606668665 /nfs/dbraw/zinc/66/86/65/606668665.db2.gz KCSLLNHQWIBFQS-CZUORRHYSA-N 0 3 399.503 0.870 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821240947 606668666 /nfs/dbraw/zinc/66/86/66/606668666.db2.gz KCSLLNHQWIBFQS-CZUORRHYSA-N 0 3 399.503 0.870 20 0 GCADHN CC[N@H+]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)[C@@H](C)C1 ZINC000821239403 606678955 /nfs/dbraw/zinc/67/89/55/606678955.db2.gz BELVANUZAPBMIU-ZFWWWQNUSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)[C@@H](C)C1 ZINC000821239403 606678956 /nfs/dbraw/zinc/67/89/56/606678956.db2.gz BELVANUZAPBMIU-ZFWWWQNUSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)[C@@H](C)C1 ZINC000821239403 606678957 /nfs/dbraw/zinc/67/89/57/606678957.db2.gz BELVANUZAPBMIU-ZFWWWQNUSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)[C@@H](C)C1 ZINC000821239403 606678958 /nfs/dbraw/zinc/67/89/58/606678958.db2.gz BELVANUZAPBMIU-ZFWWWQNUSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821242980 606679018 /nfs/dbraw/zinc/67/90/18/606679018.db2.gz YBZLICGMZHZVOM-DZGCQCFKSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821242980 606679019 /nfs/dbraw/zinc/67/90/19/606679019.db2.gz YBZLICGMZHZVOM-DZGCQCFKSA-N 0 3 385.476 0.434 20 0 GCADHN C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857818 606699750 /nfs/dbraw/zinc/69/97/50/606699750.db2.gz VPJDWNUTCSTOOW-ZETCQYMHSA-N 0 3 375.359 0.103 20 0 GCADHN C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857818 606699751 /nfs/dbraw/zinc/69/97/51/606699751.db2.gz VPJDWNUTCSTOOW-ZETCQYMHSA-N 0 3 375.359 0.103 20 0 GCADHN COC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821680707 606709569 /nfs/dbraw/zinc/70/95/69/606709569.db2.gz RJTSUVMKZZLOSO-HNNXBMFYSA-N 0 3 382.446 0.815 20 0 GCADHN COC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821680707 606709571 /nfs/dbraw/zinc/70/95/71/606709571.db2.gz RJTSUVMKZZLOSO-HNNXBMFYSA-N 0 3 382.446 0.815 20 0 GCADHN Clc1ccc(OCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)nc1 ZINC000822578456 606742021 /nfs/dbraw/zinc/74/20/21/606742021.db2.gz IYNDYBHJFUMIBZ-JTQLQIEISA-N 0 3 375.824 0.822 20 0 GCADHN Clc1ccc(OCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)nc1 ZINC000822578456 606742022 /nfs/dbraw/zinc/74/20/22/606742022.db2.gz IYNDYBHJFUMIBZ-JTQLQIEISA-N 0 3 375.824 0.822 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820529750 606750005 /nfs/dbraw/zinc/75/00/05/606750005.db2.gz RKRUEDQQZQYJKX-CQSZACIVSA-N 0 3 388.472 0.986 20 0 GCADHN COC(=O)CC1([NH2+]CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000821658854 606761583 /nfs/dbraw/zinc/76/15/83/606761583.db2.gz KWIWHHLXOMVHDC-UHFFFAOYSA-N 0 3 388.428 0.897 20 0 GCADHN COC(=O)CC1([NH2+]CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000821658854 606761585 /nfs/dbraw/zinc/76/15/85/606761585.db2.gz KWIWHHLXOMVHDC-UHFFFAOYSA-N 0 3 388.428 0.897 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000821810197 606773763 /nfs/dbraw/zinc/77/37/63/606773763.db2.gz XKIUDGPPWDANIG-TZMCWYRMSA-N 0 3 380.474 0.683 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000821810197 606773764 /nfs/dbraw/zinc/77/37/64/606773764.db2.gz XKIUDGPPWDANIG-TZMCWYRMSA-N 0 3 380.474 0.683 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C[C@H]1[NH+](C)C ZINC000820734224 606837393 /nfs/dbraw/zinc/83/73/93/606837393.db2.gz LUSDKPJWSVWGQF-TVQRCGJNSA-N 0 3 377.836 0.867 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C[C@H]1[NH+](C)C ZINC000820734224 606837395 /nfs/dbraw/zinc/83/73/95/606837395.db2.gz LUSDKPJWSVWGQF-TVQRCGJNSA-N 0 3 377.836 0.867 20 0 GCADHN O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCOCC1 ZINC000822917073 606884332 /nfs/dbraw/zinc/88/43/32/606884332.db2.gz MUQLTDQVXDLGFE-IAGOWNOFSA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCOCC1 ZINC000822917073 606884334 /nfs/dbraw/zinc/88/43/34/606884334.db2.gz MUQLTDQVXDLGFE-IAGOWNOFSA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCOCC1 ZINC000822917073 606884336 /nfs/dbraw/zinc/88/43/36/606884336.db2.gz MUQLTDQVXDLGFE-IAGOWNOFSA-N 0 3 386.456 0.471 20 0 GCADHN O=C([C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCOCC1 ZINC000822917073 606884338 /nfs/dbraw/zinc/88/43/38/606884338.db2.gz MUQLTDQVXDLGFE-IAGOWNOFSA-N 0 3 386.456 0.471 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000821400223 606884515 /nfs/dbraw/zinc/88/45/15/606884515.db2.gz HJRMGWQUVRUHKO-XHDPSFHLSA-N 0 3 399.455 0.803 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C)CC1 ZINC000819796469 606904872 /nfs/dbraw/zinc/90/48/72/606904872.db2.gz JFWLUKXRIUFTNI-KYNGSXCRSA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C)CC1 ZINC000819796469 606904873 /nfs/dbraw/zinc/90/48/73/606904873.db2.gz JFWLUKXRIUFTNI-KYNGSXCRSA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C)CC1 ZINC000819796469 606904874 /nfs/dbraw/zinc/90/48/74/606904874.db2.gz JFWLUKXRIUFTNI-KYNGSXCRSA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C)CC1 ZINC000819796469 606904875 /nfs/dbraw/zinc/90/48/75/606904875.db2.gz JFWLUKXRIUFTNI-KYNGSXCRSA-N 0 3 399.499 0.385 20 0 GCADHN C[N@H+](C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821595383 606911597 /nfs/dbraw/zinc/91/15/97/606911597.db2.gz VXHLWXBXIXOUCV-OAHLLOKOSA-N 0 3 380.474 0.256 20 0 GCADHN C[N@@H+](C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821595383 606911598 /nfs/dbraw/zinc/91/15/98/606911598.db2.gz VXHLWXBXIXOUCV-OAHLLOKOSA-N 0 3 380.474 0.256 20 0 GCADHN C[N@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821595383 606911599 /nfs/dbraw/zinc/91/15/99/606911599.db2.gz VXHLWXBXIXOUCV-OAHLLOKOSA-N 0 3 380.474 0.256 20 0 GCADHN C[N@@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821595383 606911600 /nfs/dbraw/zinc/91/16/00/606911600.db2.gz VXHLWXBXIXOUCV-OAHLLOKOSA-N 0 3 380.474 0.256 20 0 GCADHN O=C1[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1C1CCCCC1 ZINC000823513565 607008617 /nfs/dbraw/zinc/00/86/17/607008617.db2.gz VBWBTISHFMWJAS-SWLSCSKDSA-N 0 3 385.476 0.628 20 0 GCADHN CCN1CCN(CCNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821276124 607027660 /nfs/dbraw/zinc/02/76/60/607027660.db2.gz HLTPVEFDXKEZEV-UHFFFAOYSA-N 0 3 387.488 0.778 20 0 GCADHN C[N@H+](CCOc1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821603776 607091473 /nfs/dbraw/zinc/09/14/73/607091473.db2.gz OHZOZHSEPVNAEG-UHFFFAOYSA-N 0 3 380.474 0.601 20 0 GCADHN C[N@@H+](CCOc1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821603776 607091476 /nfs/dbraw/zinc/09/14/76/607091476.db2.gz OHZOZHSEPVNAEG-UHFFFAOYSA-N 0 3 380.474 0.601 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000821755411 607095315 /nfs/dbraw/zinc/09/53/15/607095315.db2.gz GAMXFFUDEQPETF-HIFRSBDPSA-N 0 3 399.455 0.757 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000821755411 607095316 /nfs/dbraw/zinc/09/53/16/607095316.db2.gz GAMXFFUDEQPETF-HIFRSBDPSA-N 0 3 399.455 0.757 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000821756964 607095734 /nfs/dbraw/zinc/09/57/34/607095734.db2.gz SBTCFPDOTUFLDC-LLVKDONJSA-N 0 3 389.460 0.906 20 0 GCADHN COCCC(=O)N1CCC([NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000821685636 607151232 /nfs/dbraw/zinc/15/12/32/607151232.db2.gz LOTBMERTRYEXCI-UHFFFAOYSA-N 0 3 384.444 0.632 20 0 GCADHN COCCC(=O)N1CCC([NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000821685636 607151233 /nfs/dbraw/zinc/15/12/33/607151233.db2.gz LOTBMERTRYEXCI-UHFFFAOYSA-N 0 3 384.444 0.632 20 0 GCADHN C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821583182 607181971 /nfs/dbraw/zinc/18/19/71/607181971.db2.gz LIZJLJZHTHVKPP-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821583182 607181972 /nfs/dbraw/zinc/18/19/72/607181972.db2.gz LIZJLJZHTHVKPP-SNVBAGLBSA-N 0 3 377.836 0.869 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@H]1[NH+](C)C ZINC000820733679 607183875 /nfs/dbraw/zinc/18/38/75/607183875.db2.gz ICGUYHOQGSAZGH-TVQRCGJNSA-N 0 3 377.836 0.867 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000826175973 607777164 /nfs/dbraw/zinc/77/71/64/607777164.db2.gz WFHPXIWLLRICSI-SFHVURJKSA-N 0 3 392.460 0.463 20 0 GCADHN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000825870403 607934367 /nfs/dbraw/zinc/93/43/67/607934367.db2.gz KUIPZIOESXPFJP-INIZCTEOSA-N 0 3 380.456 0.963 20 0 GCADHN CN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825934676 608036008 /nfs/dbraw/zinc/03/60/08/608036008.db2.gz PRVXEIDPJMEEHM-HNNXBMFYSA-N 0 3 399.503 0.529 20 0 GCADHN CN(Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825934676 608036009 /nfs/dbraw/zinc/03/60/09/608036009.db2.gz PRVXEIDPJMEEHM-HNNXBMFYSA-N 0 3 399.503 0.529 20 0 GCADHN C[C@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824970471 608121326 /nfs/dbraw/zinc/12/13/26/608121326.db2.gz XUGJTDIMMGPUNL-RDJZCZTQSA-N 0 3 399.499 0.730 20 0 GCADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826398690 608123006 /nfs/dbraw/zinc/12/30/06/608123006.db2.gz CDBXCNRKAPFUKI-SFHVURJKSA-N 0 3 397.483 0.626 20 0 GCADHN O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826479270 608170236 /nfs/dbraw/zinc/17/02/36/608170236.db2.gz VAYXRZNSZXTDMZ-JKSUJKDBSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826479270 608170237 /nfs/dbraw/zinc/17/02/37/608170237.db2.gz VAYXRZNSZXTDMZ-JKSUJKDBSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824985174 608170860 /nfs/dbraw/zinc/17/08/60/608170860.db2.gz SMWSIADDIAXVFT-QAPCUYQASA-N 0 3 398.515 0.763 20 0 GCADHN O=C(CNc1ccc(-c2nnn[n-]2)cn1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000826413644 608225104 /nfs/dbraw/zinc/22/51/04/608225104.db2.gz MMSCGTGUELOEOF-CYBMUJFWSA-N 0 3 386.460 0.291 20 0 GCADHN O=C(CNc1ccc(-c2nn[n-]n2)cn1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000826413644 608225105 /nfs/dbraw/zinc/22/51/05/608225105.db2.gz MMSCGTGUELOEOF-CYBMUJFWSA-N 0 3 386.460 0.291 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC000826168637 608367172 /nfs/dbraw/zinc/36/71/72/608367172.db2.gz UCPPJMUUEPPWLC-KDOFPFPSSA-N 0 3 399.499 0.860 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC000826168637 608367174 /nfs/dbraw/zinc/36/71/74/608367174.db2.gz UCPPJMUUEPPWLC-KDOFPFPSSA-N 0 3 399.499 0.860 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000826389667 608436360 /nfs/dbraw/zinc/43/63/60/608436360.db2.gz DZASOBHHBUXBIG-MRXNPFEDSA-N 0 3 382.472 0.669 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000826389667 608436362 /nfs/dbraw/zinc/43/63/62/608436362.db2.gz DZASOBHHBUXBIG-MRXNPFEDSA-N 0 3 382.472 0.669 20 0 GCADHN O=S1(=O)CCC[C@@H]([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000826496883 608508314 /nfs/dbraw/zinc/50/83/14/608508314.db2.gz MNSDVAYTBSBOSE-CQSZACIVSA-N 0 3 377.474 0.397 20 0 GCADHN O=S1(=O)CCC[C@@H]([NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000826496883 608508315 /nfs/dbraw/zinc/50/83/15/608508315.db2.gz MNSDVAYTBSBOSE-CQSZACIVSA-N 0 3 377.474 0.397 20 0 GCADHN CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC1 ZINC000824338113 608527354 /nfs/dbraw/zinc/52/73/54/608527354.db2.gz QBCCNTLNJNSFIF-RDJZCZTQSA-N 0 3 388.472 0.843 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-c3nc[nH]n3)c2)c1-c1nnn[n-]1 ZINC000826083532 608528342 /nfs/dbraw/zinc/52/83/42/608528342.db2.gz MAEYKIJWNBZEBN-UHFFFAOYSA-N 0 3 393.415 0.779 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3cc(-c4nnn[n-]4)cs3)C[C@H]2C)CC1 ZINC000823980455 608746713 /nfs/dbraw/zinc/74/67/13/608746713.db2.gz DDVIKFBMAVXRFD-MLGOLLRUSA-N 0 3 375.502 0.913 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](Cc3cc(-c4nnn[n-]4)cs3)C[C@H]2C)CC1 ZINC000823980455 608746714 /nfs/dbraw/zinc/74/67/14/608746714.db2.gz DDVIKFBMAVXRFD-MLGOLLRUSA-N 0 3 375.502 0.913 20 0 GCADHN NC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826391869 609169635 /nfs/dbraw/zinc/16/96/35/609169635.db2.gz FEPDLWGJBQYSGJ-HNNXBMFYSA-N 0 3 384.444 0.495 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826033464 609226779 /nfs/dbraw/zinc/22/67/79/609226779.db2.gz DOPPCZGOTGIJIG-ZWKOTPCHSA-N 0 3 399.499 0.529 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826033464 609226781 /nfs/dbraw/zinc/22/67/81/609226781.db2.gz DOPPCZGOTGIJIG-ZWKOTPCHSA-N 0 3 399.499 0.529 20 0 GCADHN C[NH+](C)CCOc1cc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825870691 609257036 /nfs/dbraw/zinc/25/70/36/609257036.db2.gz YJNRQIFDWWYCMT-QGZVFWFLSA-N 0 3 397.439 0.552 20 0 GCADHN Cn1cc(C[NH2+][C@@H]2CCc3ncnn3C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361111 609338593 /nfs/dbraw/zinc/33/85/93/609338593.db2.gz LONDCMKNASUUMQ-OAHLLOKOSA-N 0 3 376.428 0.963 20 0 GCADHN O=C1[C@H]([NH2+][C@H]2CCc3ncnn3C2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476529 609415403 /nfs/dbraw/zinc/41/54/03/609415403.db2.gz JUZGNILCEQVENK-DZGCQCFKSA-N 0 3 379.428 0.558 20 0 GCADHN CCNS(=O)(=O)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000069407393 638438666 /nfs/dbraw/zinc/43/86/66/638438666.db2.gz FTCAUNTXBZOYHT-UHFFFAOYSA-N 0 3 378.564 0.587 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891880139 638515924 /nfs/dbraw/zinc/51/59/24/638515924.db2.gz BRKWQSUVUFEAKH-QWRGUYRKSA-N 0 3 376.841 0.513 20 0 GCADHN O=S(=O)([N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2nonc21 ZINC000261698842 638589789 /nfs/dbraw/zinc/58/97/89/638589789.db2.gz HYMHFOJTBSYGKF-NSHDSACASA-N 0 3 379.364 0.337 20 0 GCADHN C[C@H](CNC(=O)NCc1ncc(Br)cn1)CN1CCN(C)CC1 ZINC000893238584 638616347 /nfs/dbraw/zinc/61/63/47/638616347.db2.gz UVNOQFRCOAZRCP-GFCCVEGCSA-N 0 3 385.310 0.922 20 0 GCADHN C[N@H+]1C[C@H]2CN(C(=O)NCC[N-]S(=O)(=O)c3ccc(Cl)s3)C[C@H]2C1 ZINC000893798923 638654354 /nfs/dbraw/zinc/65/43/54/638654354.db2.gz GINYLZBVXAYRRQ-PHIMTYICSA-N 0 3 392.934 0.883 20 0 GCADHN C[N@@H+]1C[C@H]2CN(C(=O)NCC[N-]S(=O)(=O)c3ccc(Cl)s3)C[C@H]2C1 ZINC000893798923 638654362 /nfs/dbraw/zinc/65/43/62/638654362.db2.gz GINYLZBVXAYRRQ-PHIMTYICSA-N 0 3 392.934 0.883 20 0 GCADHN CN(C)C[C@@H]1NC(=O)N(CCCNS(=O)(=O)c2ccccc2Cl)C1=O ZINC000924875102 638665398 /nfs/dbraw/zinc/66/53/98/638665398.db2.gz AEEOOPOPAGJNON-LBPRGKRZSA-N 0 3 388.877 0.490 20 0 GCADHN Cc1ncc(I)c(N2CN(CCN(C)C)C(=O)[C@H]2C)n1 ZINC000894353929 638694961 /nfs/dbraw/zinc/69/49/61/638694961.db2.gz OTJLNKKMFCWHJJ-SECBINFHSA-N 0 3 389.241 0.946 20 0 GCADHN Cn1cc(CNCC2CCS(=O)(=O)CC2)c(I)n1 ZINC000894364576 638695786 /nfs/dbraw/zinc/69/57/86/638695786.db2.gz PGFKCYNRPLDSHG-UHFFFAOYSA-N 0 3 383.255 0.939 20 0 GCADHN C[C@H]1[C@H](NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCN1C ZINC000928448169 638713534 /nfs/dbraw/zinc/71/35/34/638713534.db2.gz MYJPVOPUVXOGNR-DTWKUNHWSA-N 0 3 383.250 0.101 20 0 GCADHN Cn1ncc(I)c1CNC[C@H]1CCCCN1CCO ZINC000894874762 638715437 /nfs/dbraw/zinc/71/54/37/638715437.db2.gz QALOIBJBJRTCLO-LLVKDONJSA-N 0 3 378.258 0.961 20 0 GCADHN Cn1cc(CNC[C@@H]2CCCN2CCCO)c(I)n1 ZINC000894872017 638715454 /nfs/dbraw/zinc/71/54/54/638715454.db2.gz DKKQXUJYUIRIEB-LBPRGKRZSA-N 0 3 378.258 0.961 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1c(I)cnn1C ZINC000895083691 638723596 /nfs/dbraw/zinc/72/35/96/638723596.db2.gz BONRGBKEBILIJH-SNVBAGLBSA-N 0 3 391.257 0.577 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1F ZINC000262143317 638730333 /nfs/dbraw/zinc/73/03/33/638730333.db2.gz PQZQRIOVMTWZHL-NSHDSACASA-N 0 3 379.479 0.947 20 0 GCADHN CN(C)CCN1CCN(Cc2cn(C)nc2I)CC1=O ZINC000895134116 638731494 /nfs/dbraw/zinc/73/14/94/638731494.db2.gz VSOJJXQXXJVHAC-UHFFFAOYSA-N 0 3 391.257 0.231 20 0 GCADHN CS(=O)(=O)NCCNC(=S)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000727081677 638736897 /nfs/dbraw/zinc/73/68/97/638736897.db2.gz FPFYDXUBZUCSIB-CYBMUJFWSA-N 0 3 390.600 0.973 20 0 GCADHN Cn1ncc(Br)c1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000896098412 639037764 /nfs/dbraw/zinc/03/77/64/639037764.db2.gz ISWUSGNNEKFSCO-CHWSQXEVSA-N 0 3 386.294 0.923 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCCS(=O)(=O)N2CCSCC2)C1(C)C ZINC000262780135 639137895 /nfs/dbraw/zinc/13/78/95/639137895.db2.gz KRXTVAJSJAEDPD-DOMZBBRYSA-N 0 3 379.548 0.014 20 0 GCADHN CN(C)CCCS(=O)(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000866945837 639148451 /nfs/dbraw/zinc/14/84/51/639148451.db2.gz QUZYMYLGSUVVTD-UHFFFAOYSA-N 0 3 381.442 0.172 20 0 GCADHN COC(=O)c1ccc(F)c(S(=O)(=O)N(CCN(C)C)CCN(C)C)c1 ZINC000729267751 639175579 /nfs/dbraw/zinc/17/55/79/639175579.db2.gz HUOIRMCJIOFZLR-UHFFFAOYSA-N 0 3 375.466 0.726 20 0 GCADHN CCN(CC)CCNC(=O)C1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC000929105674 639188243 /nfs/dbraw/zinc/18/82/43/639188243.db2.gz LIQABSHTKPPBKR-ZDUSSCGKSA-N 0 3 377.507 0.479 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nn2c(c1Br)CCC2 ZINC000898088248 639219705 /nfs/dbraw/zinc/21/97/05/639219705.db2.gz LWMLPGDNDDVETN-SNVBAGLBSA-N 0 3 384.278 0.784 20 0 GCADHN O=C(NCc1ncc(Br)cn1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000898380610 639226907 /nfs/dbraw/zinc/22/69/07/639226907.db2.gz RGLQAXOTDOZPDY-CHWSQXEVSA-N 0 3 384.278 0.980 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2C)CC1 ZINC000925327812 639228320 /nfs/dbraw/zinc/22/83/20/639228320.db2.gz RVGVHSOVUNWBRH-LSDHHAIUSA-N 0 3 376.523 0.161 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@H]2C)C1 ZINC000925331466 639229419 /nfs/dbraw/zinc/22/94/19/639229419.db2.gz FKXKCSYZSKBUOC-RRFJBIMHSA-N 0 3 376.523 0.161 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N(C)Cc2ncc(Br)cn2)CC1=O ZINC000926981418 639235177 /nfs/dbraw/zinc/23/51/77/639235177.db2.gz VKPFPLUKWJUGTA-LLVKDONJSA-N 0 3 384.278 0.608 20 0 GCADHN Cc1[nH]nc(I)c1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000899153329 639254973 /nfs/dbraw/zinc/25/49/73/639254973.db2.gz JJEPOAZGRVTGGS-VIFPVBQESA-N 0 3 392.241 0.898 20 0 GCADHN CN(CCO)CCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000899731806 639271911 /nfs/dbraw/zinc/27/19/11/639271911.db2.gz LCQDDZDHZUYQIY-AWEZNQCLSA-N 0 3 384.274 0.842 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCCN(C)CCO ZINC000899732421 639273249 /nfs/dbraw/zinc/27/32/49/639273249.db2.gz XQMAQFXDBMOSPN-SECBINFHSA-N 0 3 378.292 0.669 20 0 GCADHN CN(CCO)CCNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000899729855 639273455 /nfs/dbraw/zinc/27/34/55/639273455.db2.gz PORKYTRNHCOPJJ-UHFFFAOYSA-N 0 3 383.392 0.024 20 0 GCADHN CN(CCO)CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000899729847 639273874 /nfs/dbraw/zinc/27/38/74/639273874.db2.gz PKIUGXQBNUGICV-UHFFFAOYSA-N 0 3 397.273 0.589 20 0 GCADHN Cn1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c(I)n1 ZINC000908202411 639444225 /nfs/dbraw/zinc/44/42/25/639444225.db2.gz OOPMPDAQVJPSTF-VHSXEESVSA-N 0 3 390.225 0.306 20 0 GCADHN Cn1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c(I)n1 ZINC000908202409 639444433 /nfs/dbraw/zinc/44/44/33/639444433.db2.gz OOPMPDAQVJPSTF-NXEZZACHSA-N 0 3 390.225 0.306 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H]1c1cncc(Br)c1 ZINC000911308674 639511369 /nfs/dbraw/zinc/51/13/69/639511369.db2.gz BOIRYHPGPUMZGK-UONOGXRCSA-N 0 3 397.273 0.612 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911308671 639511554 /nfs/dbraw/zinc/51/15/54/639511554.db2.gz BOIRYHPGPUMZGK-KBPBESRZSA-N 0 3 397.273 0.612 20 0 GCADHN CN1CCC(N(CCO)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000911938202 639525575 /nfs/dbraw/zinc/52/55/75/639525575.db2.gz UCFXTCYPOQVDQN-UHFFFAOYSA-N 0 3 389.905 0.533 20 0 GCADHN CN1CCNC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000911979016 639526340 /nfs/dbraw/zinc/52/63/40/639526340.db2.gz UHOFGTQCABKNNG-HNNXBMFYSA-N 0 3 386.905 0.077 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@@H](N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000924845878 639537687 /nfs/dbraw/zinc/53/76/87/639537687.db2.gz OQFMKMXKAYMAOR-KBPBESRZSA-N 0 3 377.507 0.636 20 0 GCADHN CC(C)(C)c1nc(CN2CCN(S(=O)(=O)N3CCNCC3)CC2)cs1 ZINC000923595535 639645256 /nfs/dbraw/zinc/64/52/56/639645256.db2.gz UVANVESTZDEQTR-UHFFFAOYSA-N 0 3 387.575 0.708 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000730539044 639730937 /nfs/dbraw/zinc/73/09/37/639730937.db2.gz GGHYHUHJHSZLHE-MELADBBJSA-N 0 3 379.548 0.027 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000730539043 639731060 /nfs/dbraw/zinc/73/10/60/639731060.db2.gz GGHYHUHJHSZLHE-HZSPNIEDSA-N 0 3 379.548 0.027 20 0 GCADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000915881343 639815412 /nfs/dbraw/zinc/81/54/12/639815412.db2.gz SRWKXDHKSRQPJH-KGLIPLIRSA-N 0 3 376.523 0.808 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)c(OC)c1 ZINC000262743265 639876875 /nfs/dbraw/zinc/87/68/75/639876875.db2.gz CXIDKCFZYOSPEW-AAEUAGOBSA-N 0 3 391.515 0.876 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919861159 639907973 /nfs/dbraw/zinc/90/79/73/639907973.db2.gz PNIXLLBABOQPGD-CYBMUJFWSA-N 0 3 384.527 0.692 20 0 GCADHN COCCS(=O)(=O)CCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000733435699 639976951 /nfs/dbraw/zinc/97/69/51/639976951.db2.gz ONCMXDPKSJWJEW-ZJUUUORDSA-N 0 3 375.365 0.438 20 0 GCADHN O=S(=O)(NC[C@@H](c1ccccc1Cl)N1CCOCC1)N1CCNCC1 ZINC000923588004 640143759 /nfs/dbraw/zinc/14/37/59/640143759.db2.gz GSYNZIBHPJKNHJ-INIZCTEOSA-N 0 3 388.921 0.453 20 0 GCADHN COc1cc(Br)c(CNS(=O)(=O)N2CCNCC2)cc1OC ZINC000923602489 640150320 /nfs/dbraw/zinc/15/03/20/640150320.db2.gz ATOFBQTVHSBQJG-UHFFFAOYSA-N 0 3 394.291 0.706 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N(C)C1CCOCC1 ZINC000739953187 640201967 /nfs/dbraw/zinc/20/19/67/640201967.db2.gz GLMVDSCSACWKEL-KRWDZBQOSA-N 0 3 376.567 0.690 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000839228667 640206984 /nfs/dbraw/zinc/20/69/84/640206984.db2.gz VBIGDMMGUSFWLN-AWEZNQCLSA-N 0 3 386.290 0.961 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(C[C@H](O)COCc2ccccc2Cl)C1 ZINC000740423983 640209447 /nfs/dbraw/zinc/20/94/47/640209447.db2.gz YARWPOHRAUBPEY-HIFRSBDPSA-N 0 3 391.921 0.723 20 0 GCADHN CCN(CC)CCN(C(=S)NCCCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000839416786 640212080 /nfs/dbraw/zinc/21/20/80/640212080.db2.gz QLZJRPMNUDNCFI-HNNXBMFYSA-N 0 3 378.608 0.644 20 0 GCADHN CN(C)CCN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000748405043 640325355 /nfs/dbraw/zinc/32/53/55/640325355.db2.gz CBBKCBIYJOCDSU-UHFFFAOYSA-N 0 3 389.905 0.995 20 0 GCADHN Cc1nc(S(=O)(=O)N(CCN(C)C)CCN(C)C)c(Br)n1C ZINC000804986552 640363214 /nfs/dbraw/zinc/36/32/14/640363214.db2.gz NXSLEHWJGCEQAZ-UHFFFAOYSA-N 0 3 396.355 0.605 20 0 GCADHN COC(=O)C[C@H](NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1 ZINC000754538760 640456400 /nfs/dbraw/zinc/45/64/00/640456400.db2.gz PKDIEMRQDGQBOB-LBPRGKRZSA-N 0 3 389.861 0.857 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)C1 ZINC000762720774 640614870 /nfs/dbraw/zinc/61/48/70/640614870.db2.gz BHWYOGZZDBAQCY-MRXNPFEDSA-N 0 3 387.889 0.531 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000762716228 640614874 /nfs/dbraw/zinc/61/48/74/640614874.db2.gz JLFJLFNAGUJWBU-OAHLLOKOSA-N 0 3 380.246 0.826 20 0 GCADHN COc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)nc1I ZINC000762722896 640614881 /nfs/dbraw/zinc/61/48/81/640614881.db2.gz PLBCWZVNHLPHFT-ZDUSSCGKSA-N 0 3 391.209 0.491 20 0 GCADHN CN1C(=S)N=NC1Cc1csc(NC(=O)[C@@H]2CN3CCN2CCC3)n1 ZINC000763607644 640631370 /nfs/dbraw/zinc/63/13/70/640631370.db2.gz UMGWOZVLFCMNTR-NSHDSACASA-N 0 3 379.515 0.480 20 0 GCADHN CS[C@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C[C@H]1N1CCCC1 ZINC000773305514 640862356 /nfs/dbraw/zinc/86/23/56/640862356.db2.gz GJVYGJGRNUYMPO-CABCVRRESA-N 0 3 391.559 0.582 20 0 GCADHN O=C(c1nccn2c(Br)cnc12)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861714896 641163087 /nfs/dbraw/zinc/16/30/87/641163087.db2.gz LYVOSMWHCSZJLZ-WDEREUQCSA-N 0 3 380.246 0.773 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2(CCO)CCN(C)CC2)c1 ZINC000779442909 641189049 /nfs/dbraw/zinc/18/90/49/641189049.db2.gz CWADIFPBHWYCCV-UHFFFAOYSA-N 0 3 389.905 0.825 20 0 GCADHN CC(C)NS(=O)(=O)CCN[C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862276771 641192016 /nfs/dbraw/zinc/19/20/16/641192016.db2.gz CSHFVLLDBFYQQF-KBPBESRZSA-N 0 3 379.523 0.928 20 0 GCADHN CC(C)NS(=O)(=O)CCN[C@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862276772 641192095 /nfs/dbraw/zinc/19/20/95/641192095.db2.gz CSHFVLLDBFYQQF-KGLIPLIRSA-N 0 3 379.523 0.928 20 0 GCADHN C[C@@H]1CCCN1CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000780865126 641220382 /nfs/dbraw/zinc/22/03/82/641220382.db2.gz DDBODUMJKXIEFU-CQSZACIVSA-N 0 3 375.516 0.369 20 0 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GCADHN C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000979120043 1192252318 /nfs/dbraw/zinc/25/23/18/1192252318.db2.gz QAPFFJROOQTITE-YNNDZGMISA-N 0 3 379.501 0.533 20 0 GCADHN COCCOCCN1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000652611853 1192255146 /nfs/dbraw/zinc/25/51/46/1192255146.db2.gz ZTSWTFYPKQMGHZ-UHFFFAOYSA-N 0 3 378.473 0.981 20 0 GCADHN C[C@H](CNC(=O)NCCN1CCc2ccccc2C1=O)CN1CCN(C)CC1 ZINC000188276395 1192257240 /nfs/dbraw/zinc/25/72/40/1192257240.db2.gz FFSZEYGQBZUTJQ-QGZVFWFLSA-N 0 3 387.528 0.868 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2cnc3c(cnn3C)c2O)CC1 ZINC000511964554 1192261857 /nfs/dbraw/zinc/26/18/57/1192261857.db2.gz LRPXGOALYQVBHN-UHFFFAOYSA-N 0 3 375.429 0.679 20 0 GCADHN COC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001719824848 1192263038 /nfs/dbraw/zinc/26/30/38/1192263038.db2.gz KXRTYJXRAZIAFG-UGUYLWEFSA-N 0 3 380.489 0.853 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000601637491 1192266613 /nfs/dbraw/zinc/26/66/13/1192266613.db2.gz GMWJYDJENYEBQR-PYBGIAKNSA-N 0 3 382.505 0.959 20 0 GCADHN Cc1c(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000644831724 1192267063 /nfs/dbraw/zinc/26/70/63/1192267063.db2.gz XNJSUFYCGCPJTM-OAHLLOKOSA-N 0 3 396.451 0.441 20 0 GCADHN CCOC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CCO1 ZINC000636703188 1192272261 /nfs/dbraw/zinc/27/22/61/1192272261.db2.gz SHOZANUGJHKJEN-WMZOPIPTSA-N 0 3 377.485 0.887 20 0 GCADHN C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)n1nnc(-c2ccccc2)n1 ZINC000153127954 1192270849 /nfs/dbraw/zinc/27/08/49/1192270849.db2.gz GMPWFBJBVCPUHQ-DOTOQJQBSA-N 0 3 397.483 0.666 20 0 GCADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001719828330 1192286816 /nfs/dbraw/zinc/28/68/16/1192286816.db2.gz PYEJIPWVUNOKAQ-CVYDXHPNSA-N 0 3 377.489 0.698 20 0 GCADHN O=C(c1cnnn1C1CC[NH2+]CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000662382645 1192287820 /nfs/dbraw/zinc/28/78/20/1192287820.db2.gz AMJXUHUHAHIKBK-UHFFFAOYSA-N 0 3 384.440 0.506 20 0 GCADHN CCOC[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000636755672 1192298247 /nfs/dbraw/zinc/29/82/47/1192298247.db2.gz DLZCFXDIDAATOF-SFHVURJKSA-N 0 3 389.496 0.466 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000605985792 1192309129 /nfs/dbraw/zinc/30/91/29/1192309129.db2.gz KKEZTMPIJKMJPF-ROUUACIJSA-N 0 3 397.564 0.587 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000605985791 1192309222 /nfs/dbraw/zinc/30/92/22/1192309222.db2.gz KKEZTMPIJKMJPF-QZTJIDSGSA-N 0 3 397.564 0.587 20 0 GCADHN O=C(c1cccc2c1CNC2)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000662531899 1192311732 /nfs/dbraw/zinc/31/17/32/1192311732.db2.gz LAVBFLFHAHUAMH-OAHLLOKOSA-N 0 3 379.482 0.556 20 0 GCADHN N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCCS(N)(=O)=O ZINC000662527695 1192311858 /nfs/dbraw/zinc/31/18/58/1192311858.db2.gz YADNODNFCORTTQ-SFHVURJKSA-N 0 3 391.493 0.930 20 0 GCADHN COCc1noc(CN2CCN(C(=O)c3cc4c(s3)CCNC4)CC2)n1 ZINC000662535683 1192312255 /nfs/dbraw/zinc/31/22/55/1192312255.db2.gz NZQRINRMWWTKCK-UHFFFAOYSA-N 0 3 377.470 0.881 20 0 GCADHN Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000278869475 1192310481 /nfs/dbraw/zinc/31/04/81/1192310481.db2.gz GDHYKZTXTQXRMZ-AWEZNQCLSA-N 0 3 397.497 0.110 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000165465939 1192325793 /nfs/dbraw/zinc/32/57/93/1192325793.db2.gz FKQILONNPINQMV-YOEHRIQHSA-N 0 3 378.448 0.675 20 0 GCADHN Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000330291709 1192329221 /nfs/dbraw/zinc/32/92/21/1192329221.db2.gz CWHCKSQQZMELMB-ZBFHGGJFSA-N 0 3 376.486 0.982 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000663416333 1192329398 /nfs/dbraw/zinc/32/93/98/1192329398.db2.gz MZTXYMXQISVECR-KRWDZBQOSA-N 0 3 397.545 0.859 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)C[C@@H]1O ZINC000663448906 1192340913 /nfs/dbraw/zinc/34/09/13/1192340913.db2.gz MGFCEUQCAYJSQY-PMPSAXMXSA-N 0 3 381.546 0.353 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)c3cc(N4CCNC4=O)ccc3F)C2)nn1 ZINC000563117136 1192346253 /nfs/dbraw/zinc/34/62/53/1192346253.db2.gz UDOMFBSQGJKWJY-AWEZNQCLSA-N 0 3 387.419 0.883 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)c3cc(N4CCNC4=O)ccc3F)C2)nn1 ZINC000563117137 1192346485 /nfs/dbraw/zinc/34/64/85/1192346485.db2.gz UDOMFBSQGJKWJY-CQSZACIVSA-N 0 3 387.419 0.883 20 0 GCADHN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000623070715 1192349144 /nfs/dbraw/zinc/34/91/44/1192349144.db2.gz OXQOJPSYUKCNDO-OAHLLOKOSA-N 0 3 382.432 0.890 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000429805153 1192349476 /nfs/dbraw/zinc/34/94/76/1192349476.db2.gz QRVWQMXVAZTHKS-UHFFFAOYSA-N 0 3 378.473 0.796 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000728881223 1192350499 /nfs/dbraw/zinc/35/04/99/1192350499.db2.gz SSAXXJVBHFLASK-UHFFFAOYSA-N 0 3 389.500 0.544 20 0 GCADHN O=C(NCc1ccc2c(c1)CCS2(=O)=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893617109 1192354142 /nfs/dbraw/zinc/35/41/42/1192354142.db2.gz OBIRVSKUBMZAQC-IAGOWNOFSA-N 0 3 393.509 0.757 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)NCc2ccnc(N3CCSCC3)c2)C1 ZINC000637016594 1192366133 /nfs/dbraw/zinc/36/61/33/1192366133.db2.gz IRLXEWTZESMKRH-MRXNPFEDSA-N 0 3 391.541 0.852 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000637021239 1192368361 /nfs/dbraw/zinc/36/83/61/1192368361.db2.gz YPZIMZGOKLCEQP-OLZOCXBDSA-N 0 3 390.410 0.734 20 0 GCADHN CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CCO1 ZINC000585686613 1192368920 /nfs/dbraw/zinc/36/89/20/1192368920.db2.gz RHXVRSBHVAADKU-OAHLLOKOSA-N 0 3 397.516 0.936 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCc1nnc2n1CCCCC2 ZINC000663542634 1192380973 /nfs/dbraw/zinc/38/09/73/1192380973.db2.gz KAZFPPGGGWEGQU-UHFFFAOYSA-N 0 3 379.509 0.208 20 0 GCADHN NC(=O)c1ccccc1N1CC[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000655529358 1192376359 /nfs/dbraw/zinc/37/63/59/1192376359.db2.gz VTHIKANDLZBGGG-HOTGVXAUSA-N 0 3 389.500 0.510 20 0 GCADHN O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)N[C@@H]1CCCOCC1 ZINC000512019380 1192386216 /nfs/dbraw/zinc/38/62/16/1192386216.db2.gz YMBHKGJMWSOXKC-GOSISDBHSA-N 0 3 389.496 0.945 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CCO1 ZINC000604873174 1192387990 /nfs/dbraw/zinc/38/79/90/1192387990.db2.gz QTCMLNVJMGULIC-OAHLLOKOSA-N 0 3 397.497 0.110 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000663557037 1192388680 /nfs/dbraw/zinc/38/86/80/1192388680.db2.gz NXGKNFQFGPQYNT-UHFFFAOYSA-N 0 3 376.505 0.843 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCNC(=O)c1ccccc1Cl ZINC000663563014 1192390739 /nfs/dbraw/zinc/39/07/39/1192390739.db2.gz FHYAHPOTVSBQCQ-UHFFFAOYSA-N 0 3 397.907 0.731 20 0 GCADHN Cc1c([C@H]2[C@H](NC[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC(=O)N2C)cnn1C ZINC000431964473 1192395912 /nfs/dbraw/zinc/39/59/12/1192395912.db2.gz NLZPZGMYTKONPF-IWCJLNLQSA-N 0 3 379.505 0.060 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1F ZINC000663563678 1192392315 /nfs/dbraw/zinc/39/23/15/1192392315.db2.gz APNVDHFKWQPSHL-UHFFFAOYSA-N 0 3 395.479 0.525 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000663581206 1192401593 /nfs/dbraw/zinc/40/15/93/1192401593.db2.gz MCCLQZYTJOETJR-UHFFFAOYSA-N 0 3 393.488 0.433 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000585736758 1192401931 /nfs/dbraw/zinc/40/19/31/1192401931.db2.gz FJJSYMIXONNUHO-GTPINHCMSA-N 0 3 396.532 0.224 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N3CC(S(C)(=O)=O)C3)cc2)CC1 ZINC000663582861 1192402866 /nfs/dbraw/zinc/40/28/66/1192402866.db2.gz KPUWKKMOEPTOGE-UHFFFAOYSA-N 0 3 380.514 0.372 20 0 GCADHN CS(=O)(=O)N1CCN(c2cccc(NCCN3CCSCC3)n2)CC1 ZINC001167834541 1192405139 /nfs/dbraw/zinc/40/51/39/1192405139.db2.gz JRERKKIKEWHSGE-UHFFFAOYSA-N 0 3 385.559 0.624 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000585769076 1192408307 /nfs/dbraw/zinc/40/83/07/1192408307.db2.gz CWVRWCBAIMTQJO-JCYILVPMSA-N 0 3 397.516 0.794 20 0 GCADHN Cc1cnc(COCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCN2C)o1 ZINC001719849314 1192412076 /nfs/dbraw/zinc/41/20/76/1192412076.db2.gz INJINAVGNHRPCG-UGUYLWEFSA-N 0 3 376.457 0.842 20 0 GCADHN Cc1cnc(COCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCN2C)o1 ZINC001719849313 1192412135 /nfs/dbraw/zinc/41/21/35/1192412135.db2.gz INJINAVGNHRPCG-FXUDXRNXSA-N 0 3 376.457 0.842 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000007340227 1192413182 /nfs/dbraw/zinc/41/31/82/1192413182.db2.gz OKUIIFCTUGEINC-UHFFFAOYSA-N 0 3 379.482 0.818 20 0 GCADHN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)n2)c1 ZINC000278989527 1192429983 /nfs/dbraw/zinc/42/99/83/1192429983.db2.gz QDKVPVAKJPIWLZ-KGLIPLIRSA-N 0 3 385.472 0.762 20 0 GCADHN CC(C)C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268109747 1192427560 /nfs/dbraw/zinc/42/75/60/1192427560.db2.gz ODCATLXYCMYMKI-MJQMVNBJSA-N 0 3 381.517 0.781 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC000981455331 1192434822 /nfs/dbraw/zinc/43/48/22/1192434822.db2.gz IEOVJCUJEYETCC-UZMCECQYSA-N 0 3 375.473 0.576 20 0 GCADHN C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000663647160 1192446426 /nfs/dbraw/zinc/44/64/26/1192446426.db2.gz KUUAKGHTYXBCAJ-KKXDTOCCSA-N 0 3 390.484 0.721 20 0 GCADHN CN(C)C(=O)Cn1ccc(NC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 ZINC000432448472 1192450696 /nfs/dbraw/zinc/45/06/96/1192450696.db2.gz IPPDMDBVJNUZMK-LPHOPBHVSA-N 0 3 399.499 1.523 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000432465414 1192466059 /nfs/dbraw/zinc/46/60/59/1192466059.db2.gz SNRYIPFJXKQLOT-GDBMZVCRSA-N 0 3 388.534 0.163 20 0 GCADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279135495 1192471371 /nfs/dbraw/zinc/47/13/71/1192471371.db2.gz WSXZHMLLKUNCGW-QLVMHMETSA-N 0 3 399.495 0.440 20 0 GCADHN COCCN1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1=O ZINC000512143058 1192471380 /nfs/dbraw/zinc/47/13/80/1192471380.db2.gz DBYAJZJXIQIYLM-UHFFFAOYSA-N 0 3 388.512 0.824 20 0 GCADHN O=C([C@H]1CCCN1C1CC1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000279179515 1192478618 /nfs/dbraw/zinc/47/86/18/1192478618.db2.gz LUOYNYIIHYJPQS-QGZVFWFLSA-N 0 3 386.500 0.589 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000663681676 1192482296 /nfs/dbraw/zinc/48/22/96/1192482296.db2.gz CJUIOZSSZSOPMH-ZDUSSCGKSA-N 0 3 381.443 0.532 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1CCc2ccccc2C1=O ZINC000279208433 1192485761 /nfs/dbraw/zinc/48/57/61/1192485761.db2.gz KRUBIGBNEVDDSH-SFHVURJKSA-N 0 3 386.496 0.744 20 0 GCADHN Cc1nc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)sc1C ZINC000279215023 1192487500 /nfs/dbraw/zinc/48/75/00/1192487500.db2.gz MRDOKMCUMUDHPR-CYBMUJFWSA-N 0 3 379.486 0.463 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000279220705 1192488145 /nfs/dbraw/zinc/48/81/45/1192488145.db2.gz PFUJHFJMDQIDFG-HNNXBMFYSA-N 0 3 375.469 0.763 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000279220709 1192488418 /nfs/dbraw/zinc/48/84/18/1192488418.db2.gz PFUJHFJMDQIDFG-OAHLLOKOSA-N 0 3 375.469 0.763 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000279282996 1192500396 /nfs/dbraw/zinc/50/03/96/1192500396.db2.gz SWAGSGURYVBULJ-UHFFFAOYSA-N 0 3 393.484 0.965 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2nc3c(cnn3C(C)(C)C)c(N)n2)CC1 ZINC000663722665 1192514286 /nfs/dbraw/zinc/51/42/86/1192514286.db2.gz KBCVNQRFFYVAHS-AWEZNQCLSA-N 0 3 386.504 0.906 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC000279322448 1192522644 /nfs/dbraw/zinc/52/26/44/1192522644.db2.gz BVSPQOTTZUXLKT-UHFFFAOYSA-N 0 3 395.410 0.734 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000279351076 1192528684 /nfs/dbraw/zinc/52/86/84/1192528684.db2.gz UAEOBRPJMIMPSA-HNNXBMFYSA-N 0 3 398.467 0.918 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3COCCO3)c2)CC1 ZINC000473238845 1192530802 /nfs/dbraw/zinc/53/08/02/1192530802.db2.gz LLYMNEXRFLRLIT-QGZVFWFLSA-N 0 3 376.457 0.299 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3COCCO3)c2)CC1 ZINC000473238843 1192531107 /nfs/dbraw/zinc/53/11/07/1192531107.db2.gz LLYMNEXRFLRLIT-KRWDZBQOSA-N 0 3 376.457 0.299 20 0 GCADHN CCCNC(=O)CCNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473240659 1192535095 /nfs/dbraw/zinc/53/50/95/1192535095.db2.gz HORULPNKSAIVJZ-UHFFFAOYSA-N 0 3 389.500 0.800 20 0 GCADHN COc1cc(C(=O)NCCCCN2CCN(CCO)CC2)cc2c1OCCO2 ZINC000432531299 1192535521 /nfs/dbraw/zinc/53/55/21/1192535521.db2.gz MFZFZSRXRHBIQL-UHFFFAOYSA-N 0 3 393.484 0.586 20 0 GCADHN C[C@H]1Oc2c(cccc2C(=O)NCCCCN2CCN(CCO)CC2)NC1=O ZINC000432532065 1192536543 /nfs/dbraw/zinc/53/65/43/1192536543.db2.gz UFDDCUGNZCSYOM-OAHLLOKOSA-N 0 3 390.484 0.526 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(CCn2cccn2)CC[C@@H]1c1ccccc1 ZINC001087437563 1192542117 /nfs/dbraw/zinc/54/21/17/1192542117.db2.gz YOJLDLLVPBFYMH-AKHDSKFASA-N 0 3 381.480 0.979 20 0 GCADHN CN(CCNS(C)(=O)=O)CCC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001268200616 1192545417 /nfs/dbraw/zinc/54/54/17/1192545417.db2.gz VXRYWQLXQGRLHM-WKULXVSPSA-N 0 3 399.557 0.520 20 0 GCADHN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000432541612 1192547496 /nfs/dbraw/zinc/54/74/96/1192547496.db2.gz KHQBBMOOPNMVPJ-RBUKOAKNSA-N 0 3 396.576 0.777 20 0 GCADHN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000432541610 1192547776 /nfs/dbraw/zinc/54/77/76/1192547776.db2.gz KHQBBMOOPNMVPJ-OALUTQOASA-N 0 3 396.576 0.777 20 0 GCADHN CC(C)[C@H](C(=O)NCCCCN1CCN(CCO)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000432543259 1192548502 /nfs/dbraw/zinc/54/85/02/1192548502.db2.gz SRTDDJAYCMJZGI-VAMGGRTRSA-N 0 3 398.592 0.627 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NC[C@H]1COc2ccccc2O1 ZINC000512215042 1192550050 /nfs/dbraw/zinc/55/00/50/1192550050.db2.gz SJZQDUOFVFAQES-KRWDZBQOSA-N 0 3 392.500 0.516 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000728906136 1192553751 /nfs/dbraw/zinc/55/37/51/1192553751.db2.gz QSULSFSMNQBFED-UHFFFAOYSA-N 0 3 387.484 0.899 20 0 GCADHN CC(C)N1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001058918605 1192561777 /nfs/dbraw/zinc/56/17/77/1192561777.db2.gz BTYWWJHSRWKVBQ-TVFCKZIOSA-N 0 3 381.517 0.754 20 0 GCADHN CN(CCN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C[C@H](O)CN1C(=O)CCC1=O ZINC001268237021 1192568388 /nfs/dbraw/zinc/56/83/88/1192568388.db2.gz JLFXVASXCWMFTF-LTIDMASMSA-N 0 3 377.485 0.489 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)N3CCO[C@H](C(N)=O)C3)c(C)c2)CC1 ZINC000051237111 1192590201 /nfs/dbraw/zinc/59/02/01/1192590201.db2.gz NHGVSFHVNZSYOI-KRWDZBQOSA-N 0 3 375.473 0.855 20 0 GCADHN CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000154251530 1192590891 /nfs/dbraw/zinc/59/08/91/1192590891.db2.gz YHZDDMNLPUVSHP-INIZCTEOSA-N 0 3 397.545 0.472 20 0 GCADHN O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893700679 1192595311 /nfs/dbraw/zinc/59/53/11/1192595311.db2.gz ZSXAUAFXTLYUOI-YDZRNGNQSA-N 0 3 380.533 0.870 20 0 GCADHN O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893700670 1192595441 /nfs/dbraw/zinc/59/54/41/1192595441.db2.gz ZSXAUAFXTLYUOI-HCXYKTFWSA-N 0 3 380.533 0.870 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000663785935 1192596671 /nfs/dbraw/zinc/59/66/71/1192596671.db2.gz OHNSWKYJASLHOL-UHFFFAOYSA-N 0 3 397.545 0.688 20 0 GCADHN C[C@H](O)C[C@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000279759713 1192598969 /nfs/dbraw/zinc/59/89/69/1192598969.db2.gz MDLPJWVNXZRYJA-GOEBONIOSA-N 0 3 383.514 0.618 20 0 GCADHN C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000549662939 1192600467 /nfs/dbraw/zinc/60/04/67/1192600467.db2.gz SGCNFKLPTIQBEQ-WMLDXEAASA-N 0 3 384.502 0.109 20 0 GCADHN CN(C)CCN(C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)C1CCCC1 ZINC000429810591 1192609405 /nfs/dbraw/zinc/60/94/05/1192609405.db2.gz PTJKOOXMKXZNQU-UHFFFAOYSA-N 0 3 376.457 0.822 20 0 GCADHN Cc1nc(Cn2cc(C(=O)N(CCN(C)C)Cc3cccc(O)c3)nn2)no1 ZINC000279893497 1192615926 /nfs/dbraw/zinc/61/59/26/1192615926.db2.gz ONYSKLKILDESFP-UHFFFAOYSA-N 0 3 385.428 0.927 20 0 GCADHN CN1CC2(C1)CCN(C(=O)c1cccc(C(=O)N3CCC4(CN(C)C4)C3)c1N)C2 ZINC000614034482 1192622748 /nfs/dbraw/zinc/62/27/48/1192622748.db2.gz DCVWXHCTCBMBME-UHFFFAOYSA-N 0 3 397.523 0.824 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418637344 1192623129 /nfs/dbraw/zinc/62/31/29/1192623129.db2.gz NINRVOVZLWQGNP-WWGRRREGSA-N 0 3 376.457 0.629 20 0 GCADHN CCN1CCC[C@@H](CN(C)C(=O)C(=O)NCCC(C)(C)O)[C@@H]1c1cnn(C)c1 ZINC000512356322 1192627298 /nfs/dbraw/zinc/62/72/98/1192627298.db2.gz LPCUCSHFQKQYJB-DOTOQJQBSA-N 0 3 393.532 0.929 20 0 GCADHN COc1ncc(C)cc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000473247047 1192623656 /nfs/dbraw/zinc/62/36/56/1192623656.db2.gz XHFKRLAJHLZCNP-OAHLLOKOSA-N 0 3 391.472 0.396 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000500489485 1192628268 /nfs/dbraw/zinc/62/82/68/1192628268.db2.gz LLJZSCWMHQRFQH-KGLIPLIRSA-N 0 3 376.423 0.778 20 0 GCADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCc1ccccc1F ZINC001268320866 1192634350 /nfs/dbraw/zinc/63/43/50/1192634350.db2.gz KIEWZRYERHODCQ-ANQUJSFKSA-N 0 3 379.432 0.076 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N(C)CCN(C)C)cc1C ZINC000429813982 1192646219 /nfs/dbraw/zinc/64/62/19/1192646219.db2.gz STRNRJUXYPWEBK-MRXNPFEDSA-N 0 3 398.529 0.236 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2c3c(nn2C(C)C)CCC3)CC1 ZINC000473248810 1192646922 /nfs/dbraw/zinc/64/69/22/1192646922.db2.gz JBGJHHPXWUYBHZ-UHFFFAOYSA-N 0 3 376.505 0.645 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000418797093 1192647122 /nfs/dbraw/zinc/64/71/22/1192647122.db2.gz UBVFTTALERIFMC-UONOGXRCSA-N 0 3 380.876 0.530 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000418798752 1192648328 /nfs/dbraw/zinc/64/83/28/1192648328.db2.gz VTEUQASLFSOEBL-QWHCGFSZSA-N 0 3 398.410 0.088 20 0 GCADHN O=C(NCc1nn(-c2ccccc2)c2c1CCC2)C(=O)NC[C@H]1CNCCO1 ZINC000418805589 1192650168 /nfs/dbraw/zinc/65/01/68/1192650168.db2.gz BOUCSXSULGCYNX-OAHLLOKOSA-N 0 3 383.452 0.082 20 0 GCADHN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N[C@@H](CO)CN1CCCCC1 ZINC000512394519 1192645080 /nfs/dbraw/zinc/64/50/80/1192645080.db2.gz GDVWDTNOZJHPMQ-AESZEHBQSA-N 0 3 384.546 0.675 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccnc(OC2CCC2)c1 ZINC000418807680 1192651296 /nfs/dbraw/zinc/65/12/96/1192651296.db2.gz PZIKKRFZSWSSRT-IUODEOHRSA-N 0 3 376.457 0.858 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)c(OCC(F)(F)F)c1 ZINC000418819758 1192653940 /nfs/dbraw/zinc/65/39/40/1192653940.db2.gz KHDRLKWNLYSLRD-CYBMUJFWSA-N 0 3 389.374 0.657 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)c(OCC(F)(F)F)c1 ZINC000418819768 1192654191 /nfs/dbraw/zinc/65/41/91/1192654191.db2.gz KHDRLKWNLYSLRD-ZDUSSCGKSA-N 0 3 389.374 0.657 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)N(C)C)cc1OC ZINC000418827318 1192657444 /nfs/dbraw/zinc/65/74/44/1192657444.db2.gz GRDSERIGRRTSRK-YCPHGPKFSA-N 0 3 392.500 0.632 20 0 GCADHN CCNC(=O)COc1cccc(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)c1 ZINC000418841191 1192662622 /nfs/dbraw/zinc/66/26/22/1192662622.db2.gz GNQAXGHZBOIOCI-SFHVURJKSA-N 0 3 398.463 0.634 20 0 GCADHN O=C(NCCc1cccc(OCC(F)(F)F)c1)C(=O)NC[C@H]1CNCCO1 ZINC000418820441 1192658238 /nfs/dbraw/zinc/65/82/38/1192658238.db2.gz FNTVWYFOWDYFTM-CQSZACIVSA-N 0 3 389.374 0.391 20 0 GCADHN COc1ccc([C@@H](CNC(=O)C(=O)N2CCN[C@@H](C)C2)N(C)C)cc1OC ZINC000418828442 1192658378 /nfs/dbraw/zinc/65/83/78/1192658378.db2.gz HYXYLLMDWQUSDJ-DZGCQCFKSA-N 0 3 378.473 0.243 20 0 GCADHN COc1ccc([C@@H](CNC(=O)C(=O)N2CCCNCC2)N2CCOCC2)cc1 ZINC000418828419 1192658443 /nfs/dbraw/zinc/65/84/43/1192658443.db2.gz HXRODUUDGIBYBA-GOSISDBHSA-N 0 3 390.484 0.007 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)N(C)C ZINC000418831497 1192659619 /nfs/dbraw/zinc/65/96/19/1192659619.db2.gz GKXFSTJKDQDFDB-BPUTZDHNSA-N 0 3 392.500 0.643 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H](N)c1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000418831837 1192659668 /nfs/dbraw/zinc/65/96/68/1192659668.db2.gz PISJBQVWAHJCEM-KSSFIOAISA-N 0 3 380.448 0.850 20 0 GCADHN CC1(C)CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCN1 ZINC000418838679 1192662773 /nfs/dbraw/zinc/66/27/73/1192662773.db2.gz COQOGFKQPSSWIS-UHFFFAOYSA-N 0 3 387.528 0.131 20 0 GCADHN COCCCOc1cc(C)ccc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418834368 1192660717 /nfs/dbraw/zinc/66/07/17/1192660717.db2.gz XYCMFXPANXXOSH-MRXNPFEDSA-N 0 3 379.457 0.131 20 0 GCADHN COc1ccc([C@@H](CNC(=O)C(=O)N2CCNC[C@H]2C)N(C)C)cc1OC ZINC000418836195 1192660883 /nfs/dbraw/zinc/66/08/83/1192660883.db2.gz QTNQPMYYCDNCGK-UKRRQHHQSA-N 0 3 378.473 0.243 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000429817690 1192661309 /nfs/dbraw/zinc/66/13/09/1192661309.db2.gz AKRFSGMMTFXLPR-UHFFFAOYSA-N 0 3 398.529 0.721 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)c1ccccc1Cl ZINC000418857161 1192668706 /nfs/dbraw/zinc/66/87/06/1192668706.db2.gz YMQUVAOYMKFIAP-RHSMWYFYSA-N 0 3 396.919 0.944 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000418860885 1192670947 /nfs/dbraw/zinc/67/09/47/1192670947.db2.gz FQCSGFMLZCKJRM-UKRRQHHQSA-N 0 3 376.457 0.070 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000418860884 1192671027 /nfs/dbraw/zinc/67/10/27/1192671027.db2.gz FQCSGFMLZCKJRM-HIFRSBDPSA-N 0 3 376.457 0.070 20 0 GCADHN COc1cccc([C@H](CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)N(C)C)c1 ZINC000418862289 1192671036 /nfs/dbraw/zinc/67/10/36/1192671036.db2.gz OAHNTHGCUNVVBW-XYPHTWIQSA-N 0 3 392.500 0.643 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)[C@@H](C)CN1 ZINC000418865340 1192672296 /nfs/dbraw/zinc/67/22/96/1192672296.db2.gz RLOVGWJJMVARRG-MSOLQXFVSA-N 0 3 387.528 0.129 20 0 GCADHN CCOc1cc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)ccc1OC ZINC000418870950 1192673577 /nfs/dbraw/zinc/67/35/77/1192673577.db2.gz QBGKUICIOCLONQ-TZMCWYRMSA-N 0 3 379.457 0.939 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000418901686 1192684154 /nfs/dbraw/zinc/68/41/54/1192684154.db2.gz QRGAHNUTUACBGX-OUCADQQQSA-N 0 3 377.441 0.864 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCc3cccc(Cl)c3)C2)nn1 ZINC000418902665 1192684167 /nfs/dbraw/zinc/68/41/67/1192684167.db2.gz REAKXVDBXDFKJM-INIZCTEOSA-N 0 3 390.875 0.913 20 0 GCADHN O=C(NCc1cccc(C(=O)NCc2ccco2)c1)C(=O)N1CCCNCC1 ZINC000418925605 1192693325 /nfs/dbraw/zinc/69/33/25/1192693325.db2.gz SAAPDVKZPPKBOA-UHFFFAOYSA-N 0 3 384.436 0.648 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CCc2sccc2C1 ZINC000418936384 1192695527 /nfs/dbraw/zinc/69/55/27/1192695527.db2.gz DSRAROJYGNBREO-GXTWGEPZSA-N 0 3 380.514 0.452 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN1CCc2sccc2C1 ZINC000418936389 1192695678 /nfs/dbraw/zinc/69/56/78/1192695678.db2.gz DSRAROJYGNBREO-TZMCWYRMSA-N 0 3 380.514 0.452 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCN(C)c1ccccc1F ZINC000418937691 1192697244 /nfs/dbraw/zinc/69/72/44/1192697244.db2.gz OWXDXQVSJQJRRF-UKRRQHHQSA-N 0 3 380.464 0.997 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000418939286 1192697924 /nfs/dbraw/zinc/69/79/24/1192697924.db2.gz FNBLNVKCUQABHH-SWLSCSKDSA-N 0 3 394.447 0.291 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000418946282 1192698659 /nfs/dbraw/zinc/69/86/59/1192698659.db2.gz LEUFDNSJCHZCPF-PBHICJAKSA-N 0 3 375.425 0.130 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000418959046 1192699875 /nfs/dbraw/zinc/69/98/75/1192699875.db2.gz GSLGUASADQRVHW-SWLSCSKDSA-N 0 3 394.447 0.291 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(C)CC[C@H]2C)[C@@H](C)O)cc1 ZINC000500681467 1192702305 /nfs/dbraw/zinc/70/23/05/1192702305.db2.gz OGBXNVPRFDRZKZ-INMHGKMJSA-N 0 3 383.514 0.575 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1-c1cnn(C)c1 ZINC000419005737 1192716100 /nfs/dbraw/zinc/71/61/00/1192716100.db2.gz ZTMFBFXUVGMGDV-DYVFJYSZSA-N 0 3 385.468 0.933 20 0 GCADHN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419032157 1192731229 /nfs/dbraw/zinc/73/12/29/1192731229.db2.gz JNGPCXCIUGYDBY-SKDZVZGDSA-N 0 3 382.468 0.950 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCCCO2)CC1 ZINC000500746375 1192737824 /nfs/dbraw/zinc/73/78/24/1192737824.db2.gz HNZLPAPWWGQYDK-JKSUJKDBSA-N 0 3 382.505 0.073 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000410600550 1192742846 /nfs/dbraw/zinc/74/28/46/1192742846.db2.gz ADJJCHJSAWJHKW-SFHVURJKSA-N 0 3 375.469 0.845 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419051587 1192749505 /nfs/dbraw/zinc/74/95/05/1192749505.db2.gz BQDWBYJSTHXQMJ-CQDKDKBSSA-N 0 3 392.431 0.276 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000419051589 1192749646 /nfs/dbraw/zinc/74/96/46/1192749646.db2.gz BQDWBYJSTHXQMJ-NILFDRSVSA-N 0 3 392.431 0.276 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@@H](CCO)C3)CC2)C[C@H](C)O1 ZINC000410607308 1192752873 /nfs/dbraw/zinc/75/28/73/1192752873.db2.gz KPDACDGAYMFWQH-SCTDSRPQSA-N 0 3 395.544 0.955 20 0 GCADHN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419057243 1192753787 /nfs/dbraw/zinc/75/37/87/1192753787.db2.gz NQRUVPPNBVLLAM-SWLSCSKDSA-N 0 3 376.432 0.469 20 0 GCADHN COc1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1F ZINC000655537454 1192755697 /nfs/dbraw/zinc/75/56/97/1192755697.db2.gz IFCIQJNGRVINLH-CYBMUJFWSA-N 0 3 385.461 0.761 20 0 GCADHN Cc1nn(-c2ccccc2)cc1CCCNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419059309 1192755721 /nfs/dbraw/zinc/75/57/21/1192755721.db2.gz XIAMUEMPNIBBGG-GOSISDBHSA-N 0 3 385.468 0.334 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000419063550 1192757840 /nfs/dbraw/zinc/75/78/40/1192757840.db2.gz BPHOSFUHOIXMSN-INIZCTEOSA-N 0 3 395.887 0.609 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cn1 ZINC000419072418 1192768157 /nfs/dbraw/zinc/76/81/57/1192768157.db2.gz QYHXMXREWJEEPD-WMHQRMGPSA-N 0 3 393.488 0.326 20 0 GCADHN Cc1cc(F)ccc1CCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419064635 1192762197 /nfs/dbraw/zinc/76/21/97/1192762197.db2.gz OYTWYLOFFQWEGW-QGZVFWFLSA-N 0 3 388.447 0.707 20 0 GCADHN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000237835299 1192765292 /nfs/dbraw/zinc/76/52/92/1192765292.db2.gz XMKDFEMHDQFBEA-CTNGQTDRSA-N 0 3 397.523 0.982 20 0 GCADHN CN(CCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)c1ccccc1 ZINC000419070199 1192766657 /nfs/dbraw/zinc/76/66/57/1192766657.db2.gz HFGXZGLSUYFJLN-KRWDZBQOSA-N 0 3 385.472 0.153 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCCCO2)CC1 ZINC000500768704 1192768981 /nfs/dbraw/zinc/76/89/81/1192768981.db2.gz VNVXADYXOIQATJ-GOEBONIOSA-N 0 3 376.457 0.813 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000500778974 1192779746 /nfs/dbraw/zinc/77/97/46/1192779746.db2.gz XNJKENVSASWCMU-UHFFFAOYSA-N 0 3 391.497 0.688 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000509724654 1192780569 /nfs/dbraw/zinc/78/05/69/1192780569.db2.gz OUAXPVSVTAOFKW-UHFFFAOYSA-N 0 3 396.532 0.322 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000419090135 1192781542 /nfs/dbraw/zinc/78/15/42/1192781542.db2.gz BAEUUJPGOZJATK-ZWNOBZJWSA-N 0 3 391.403 0.721 20 0 GCADHN COC(=O)COc1cccc(CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)c1 ZINC000419091022 1192781892 /nfs/dbraw/zinc/78/18/92/1192781892.db2.gz SEGLBDUHKRTYCE-QGZVFWFLSA-N 0 3 385.420 0.671 20 0 GCADHN CCc1cc(N2CCC[C@H](NC(=O)C(=O)NC[C@H](N)c3ccccc3)C2)ncn1 ZINC000419092925 1192787655 /nfs/dbraw/zinc/78/76/55/1192787655.db2.gz IFYOABNKFBAFCJ-ROUUACIJSA-N 0 3 396.495 0.940 20 0 GCADHN CC(C)n1cc2c(n1)C[C@@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000419094881 1192788417 /nfs/dbraw/zinc/78/84/17/1192788417.db2.gz JZPHOVOPTHHLBE-DUVNUKRYSA-N 0 3 377.489 0.667 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1ccc(F)c(F)c1 ZINC000419108648 1192790410 /nfs/dbraw/zinc/79/04/10/1192790410.db2.gz LYJFBGRNFYQFQJ-VQISRLSMSA-N 0 3 385.411 0.998 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000419118767 1192792997 /nfs/dbraw/zinc/79/29/97/1192792997.db2.gz RLYPZFDPFAWADB-YOEHRIQHSA-N 0 3 385.468 0.760 20 0 GCADHN CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419121860 1192794732 /nfs/dbraw/zinc/79/47/32/1192794732.db2.gz DYECIOKDNGDDPC-ZBFHGGJFSA-N 0 3 390.484 0.381 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000419125046 1192796743 /nfs/dbraw/zinc/79/67/43/1192796743.db2.gz YSIGBSJVWGWXOJ-GOEBONIOSA-N 0 3 389.500 0.917 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000419127708 1192797998 /nfs/dbraw/zinc/79/79/98/1192797998.db2.gz SBGYQHRFBKYCIL-SMDDNHRTSA-N 0 3 396.875 0.415 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN ZINC000419114161 1192800125 /nfs/dbraw/zinc/80/01/25/1192800125.db2.gz MGRHRMWJTIHWRF-ZMSDIMECSA-N 0 3 395.525 0.941 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CCOC(C)(C)[C@@H]2C)CC1 ZINC000410669109 1192804316 /nfs/dbraw/zinc/80/43/16/1192804316.db2.gz NZWQEBKSWRFEIV-AWEZNQCLSA-N 0 3 376.457 0.765 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CCN(c2nccs2)CC1 ZINC000419131257 1192805580 /nfs/dbraw/zinc/80/55/80/1192805580.db2.gz CGNHFRBYEQMYNC-AAEUAGOBSA-N 0 3 381.502 0.457 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)C1=O ZINC000500814647 1192808216 /nfs/dbraw/zinc/80/82/16/1192808216.db2.gz RJCOXFVXRDDQFY-CVEARBPZSA-N 0 3 376.457 0.753 20 0 GCADHN COc1ccc(CCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000419144552 1192813888 /nfs/dbraw/zinc/81/38/88/1192813888.db2.gz FRXKHHALBRKOPY-UKRRQHHQSA-N 0 3 393.484 0.982 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1F ZINC000419158245 1192816524 /nfs/dbraw/zinc/81/65/24/1192816524.db2.gz DOQGBTLJWDAWPD-SWLSCSKDSA-N 0 3 394.447 0.209 20 0 GCADHN CCn1c(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)nc2ccccc21 ZINC000419164085 1192821503 /nfs/dbraw/zinc/82/15/03/1192821503.db2.gz YDDFYFMMEFEAEU-DZGCQCFKSA-N 0 3 387.484 0.944 20 0 GCADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893722525 1192822153 /nfs/dbraw/zinc/82/21/53/1192822153.db2.gz HGRSEGJWGNPVBO-ZNMIVQPWSA-N 0 3 388.534 0.369 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C(C)C)CC1 ZINC000410701002 1192840230 /nfs/dbraw/zinc/84/02/30/1192840230.db2.gz UOXRATHTNFVMES-QGZVFWFLSA-N 0 3 389.500 0.537 20 0 GCADHN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000410700554 1192844269 /nfs/dbraw/zinc/84/42/69/1192844269.db2.gz SWWRYMABJBJFSE-QYZOEREBSA-N 0 3 392.544 0.642 20 0 GCADHN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000419202731 1192845518 /nfs/dbraw/zinc/84/55/18/1192845518.db2.gz GVJFICWEPBCKSG-QGZVFWFLSA-N 0 3 394.903 0.651 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCc2ccccc2OCCN2CCOCC2)C[C@@H]1O ZINC000663849031 1192849699 /nfs/dbraw/zinc/84/96/99/1192849699.db2.gz DNCULNOXFXOQPO-ROUUACIJSA-N 0 3 392.500 0.214 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000473270654 1192850526 /nfs/dbraw/zinc/85/05/26/1192850526.db2.gz PZFJINVVGOSPMN-OAHLLOKOSA-N 0 3 394.497 0.070 20 0 GCADHN COC(=O)c1cccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419205546 1192850865 /nfs/dbraw/zinc/85/08/65/1192850865.db2.gz JCJKFZFIBDNUTC-DOMZBBRYSA-N 0 3 377.441 0.361 20 0 GCADHN COC(=O)c1cccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419205549 1192851061 /nfs/dbraw/zinc/85/10/61/1192851061.db2.gz JCJKFZFIBDNUTC-WFASDCNBSA-N 0 3 377.441 0.361 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000419205572 1192852031 /nfs/dbraw/zinc/85/20/31/1192852031.db2.gz JGUMATPUNZCJSF-RYQLBKOJSA-N 0 3 388.512 0.996 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000893741318 1192847644 /nfs/dbraw/zinc/84/76/44/1192847644.db2.gz OIVKKGAIBJFGCN-IRXDYDNUSA-N 0 3 382.505 0.255 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000419205500 1192852524 /nfs/dbraw/zinc/85/25/24/1192852524.db2.gz LGEOGBXOKYMVJO-UKRRQHHQSA-N 0 3 375.473 0.527 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000419205499 1192852620 /nfs/dbraw/zinc/85/26/20/1192852620.db2.gz LGEOGBXOKYMVJO-HIFRSBDPSA-N 0 3 375.473 0.527 20 0 GCADHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cn1 ZINC000419206593 1192858458 /nfs/dbraw/zinc/85/84/58/1192858458.db2.gz NANAREJROFMWMO-ZFWWWQNUSA-N 0 3 377.489 0.773 20 0 GCADHN CC(C)N1CCN(c2ccc(C(=O)N3CCC(=O)NCC34COC4)cc2)CC1 ZINC000893783801 1192859393 /nfs/dbraw/zinc/85/93/93/1192859393.db2.gz YQQKZSQBTPECEA-UHFFFAOYSA-N 0 3 386.496 0.948 20 0 GCADHN COc1cccc(C[C@@H](O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000473310444 1192863669 /nfs/dbraw/zinc/86/36/69/1192863669.db2.gz PSSSDNKHMUMHGE-QZTJIDSGSA-N 0 3 377.485 0.658 20 0 GCADHN C[C@@H](O)CN1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)[C@@H](C)C1 ZINC000473374332 1192880730 /nfs/dbraw/zinc/88/07/30/1192880730.db2.gz AEWRMZKIKOELAS-UONOGXRCSA-N 0 3 386.452 0.171 20 0 GCADHN CCN1CCN(CCNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 ZINC000048132228 1192891121 /nfs/dbraw/zinc/89/11/21/1192891121.db2.gz KQMAYAGWSZYPTN-UHFFFAOYSA-N 0 3 394.541 0.742 20 0 GCADHN CCOC(=O)Cn1cc(CN2CCC[C@H](OCCO)C2)c(-c2cnn(C)c2)n1 ZINC000894016901 1192893353 /nfs/dbraw/zinc/89/33/53/1192893353.db2.gz IDWMHUYBKKTZOB-KRWDZBQOSA-N 0 3 391.472 0.820 20 0 GCADHN CCN(CCO)CCNC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000366498990 1192910546 /nfs/dbraw/zinc/91/05/46/1192910546.db2.gz VTTAASHBDWSQSW-KBPBESRZSA-N 0 3 376.473 0.947 20 0 GCADHN O=C(CNC(=O)NCCCCN1CCN(CCO)CC1)Nc1ccccc1 ZINC000512585874 1192912484 /nfs/dbraw/zinc/91/24/84/1192912484.db2.gz FEGFBIHWNFPBQD-UHFFFAOYSA-N 0 3 377.489 0.314 20 0 GCADHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000614132758 1192913205 /nfs/dbraw/zinc/91/32/05/1192913205.db2.gz JUMBLQLDPDZWJP-RHSMWYFYSA-N 0 3 387.546 0.805 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000410924420 1192915813 /nfs/dbraw/zinc/91/58/13/1192915813.db2.gz IZHQLVUQGVUZLG-KGLIPLIRSA-N 0 3 376.423 0.778 20 0 GCADHN O=C(CNC(=O)NCCCCN1CCN(CCO)CC1)Nc1cccc(F)c1 ZINC000512623322 1192921048 /nfs/dbraw/zinc/92/10/48/1192921048.db2.gz FEKDAZVVAKXTAH-UHFFFAOYSA-N 0 3 395.479 0.454 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccn([C@@H](C)COC)n2)CC1 ZINC000432968531 1192921379 /nfs/dbraw/zinc/92/13/79/1192921379.db2.gz ZTWHBFOSJAOLOD-HNNXBMFYSA-N 0 3 380.493 1.108 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000410972646 1192921543 /nfs/dbraw/zinc/92/15/43/1192921543.db2.gz HREYDHPJDGJVIO-IRXDYDNUSA-N 0 3 380.533 0.356 20 0 GCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000246354317 1192923591 /nfs/dbraw/zinc/92/35/91/1192923591.db2.gz FZAXXHMPGZTMQW-JKSUJKDBSA-N 0 3 399.413 0.933 20 0 GCADHN CN(CC(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1)S(C)(=O)=O ZINC000049395249 1184075824 /nfs/dbraw/zinc/07/58/24/1184075824.db2.gz KMJMJSVHGGZKLA-NSHDSACASA-N 0 3 375.414 0.265 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000274500484 1184078200 /nfs/dbraw/zinc/07/82/00/1184078200.db2.gz DTTIGAKHWUSQGW-GOSISDBHSA-N 0 3 397.541 0.659 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000274501702 1184079216 /nfs/dbraw/zinc/07/92/16/1184079216.db2.gz FAJSGGWYHYONRF-HOTGVXAUSA-N 0 3 383.489 0.399 20 0 GCADHN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000274507698 1184080924 /nfs/dbraw/zinc/08/09/24/1184080924.db2.gz WOSJVBNPYNUMTL-ZDUSSCGKSA-N 0 3 392.500 0.997 20 0 GCADHN CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000274511842 1184082236 /nfs/dbraw/zinc/08/22/36/1184082236.db2.gz NJQJCTJOEAVULJ-UHFFFAOYSA-N 0 3 390.509 0.421 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc2oc(C(=O)OC)cc2c1 ZINC000274512510 1184082628 /nfs/dbraw/zinc/08/26/28/1184082628.db2.gz WYTUYZJMCQKPDA-UHFFFAOYSA-N 0 3 377.397 0.588 20 0 GCADHN COC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc2c(c1)CCO2 ZINC000274515709 1184083853 /nfs/dbraw/zinc/08/38/53/1184083853.db2.gz HYNLLGCVERYHQI-MAUKXSAKSA-N 0 3 389.452 0.362 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000274517390 1184084122 /nfs/dbraw/zinc/08/41/22/1184084122.db2.gz XQVLSAQRQRVTFQ-UHFFFAOYSA-N 0 3 376.457 0.292 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCOCCOC)c2)CC1 ZINC000274535074 1184089908 /nfs/dbraw/zinc/08/99/08/1184089908.db2.gz QHEMHHMTBCDQKB-UHFFFAOYSA-N 0 3 378.473 0.546 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000274539544 1184092178 /nfs/dbraw/zinc/09/21/78/1184092178.db2.gz KNCZYGIUWCCJMI-CQSZACIVSA-N 0 3 377.441 0.241 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C ZINC000274553259 1184096920 /nfs/dbraw/zinc/09/69/20/1184096920.db2.gz NFNKXHSOQPNBFW-KRWDZBQOSA-N 0 3 385.530 0.728 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)CCN2CCN(C)CC2)ccc1OC ZINC000274552562 1184097047 /nfs/dbraw/zinc/09/70/47/1184097047.db2.gz HLMHWQRRBFRDLV-CQSZACIVSA-N 0 3 398.529 0.359 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000274561419 1184100022 /nfs/dbraw/zinc/10/00/22/1184100022.db2.gz CZPNNVHCHFCJHP-CQSZACIVSA-N 0 3 382.468 0.932 20 0 GCADHN CCN(CCO)CCNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC)c1 ZINC000274574088 1184107485 /nfs/dbraw/zinc/10/74/85/1184107485.db2.gz RFIAZXFRVGCINK-SOFGYWHQSA-N 0 3 385.486 0.047 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000274576152 1184108641 /nfs/dbraw/zinc/10/86/41/1184108641.db2.gz ZXRIVPHWCYUQRS-AWEZNQCLSA-N 0 3 376.457 0.554 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000274585881 1184110246 /nfs/dbraw/zinc/11/02/46/1184110246.db2.gz OOCXCBXBYIHOEV-KRWDZBQOSA-N 0 3 387.528 0.897 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000274592439 1184112671 /nfs/dbraw/zinc/11/26/71/1184112671.db2.gz PNPCDZXEQUXCJP-OAHLLOKOSA-N 0 3 379.484 0.473 20 0 GCADHN CCN1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000654738627 1184116912 /nfs/dbraw/zinc/11/69/12/1184116912.db2.gz STZWJFBVYHIZOS-ZOBUZTSGSA-N 0 3 399.488 0.550 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3Cc3ccccc3)CCN2C1=O ZINC000579735408 1184122047 /nfs/dbraw/zinc/12/20/47/1184122047.db2.gz AIZOIWHLLNLZNE-NCXUSEDFSA-N 0 3 398.507 0.675 20 0 GCADHN COc1ccccc1C(=O)NCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000274638014 1184133149 /nfs/dbraw/zinc/13/31/49/1184133149.db2.gz JVBFMOVPUNSYAJ-MRXNPFEDSA-N 0 3 388.468 0.190 20 0 GCADHN CC(C)[C@@H]1CN(C(=O)COCC(=O)N2CCN(C)[C@H](C(C)C)C2)CCN1C ZINC000683120090 1184134032 /nfs/dbraw/zinc/13/40/32/1184134032.db2.gz BQEAHXVQVJRHAE-ROUUACIJSA-N 0 3 382.549 0.600 20 0 GCADHN CC(C)[C@@H](CNC(=O)CC1CCN(S(C)(=O)=O)CC1)N1CCN(C)CC1 ZINC000654778882 1184139015 /nfs/dbraw/zinc/13/90/15/1184139015.db2.gz NHXDVCHNLOJPIB-QGZVFWFLSA-N 0 3 388.578 0.436 20 0 GCADHN CN(C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1)[C@H]1CCCN(C)C1 ZINC000654830192 1184156200 /nfs/dbraw/zinc/15/62/00/1184156200.db2.gz SUBUMYWQUQFWPA-ZOBUZTSGSA-N 0 3 399.488 0.502 20 0 GCADHN COCCN1C(=O)c2ccc(C(=O)NC[C@H](C)N3CCCC3)cc2S1(=O)=O ZINC000063732618 1184162254 /nfs/dbraw/zinc/16/22/54/1184162254.db2.gz HREINBPXNSABQE-ZDUSSCGKSA-N 0 3 395.481 0.692 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000274675987 1184178839 /nfs/dbraw/zinc/17/88/39/1184178839.db2.gz QFDGBRWMNLVQDE-QGZVFWFLSA-N 0 3 378.473 0.410 20 0 GCADHN CCN(CCO)CCNC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000274683990 1184181396 /nfs/dbraw/zinc/18/13/96/1184181396.db2.gz SIDZXGKFSLHIDP-UHFFFAOYSA-N 0 3 398.529 0.585 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCCC[C@@H]1CNS(C)(=O)=O)c1ccccc1 ZINC000274680311 1184182718 /nfs/dbraw/zinc/18/27/18/1184182718.db2.gz WRHXZCXOYJIEIH-MSOLQXFVSA-N 0 3 396.557 0.809 20 0 GCADHN CN1CCN(Cc2ccc(C(=O)N[C@@H]3CCN(c4cc(=O)[nH]cn4)C3)cc2)CC1 ZINC000890531462 1184209229 /nfs/dbraw/zinc/20/92/29/1184209229.db2.gz FQKROYWFMSFYCE-GOSISDBHSA-N 0 3 396.495 0.938 20 0 GCADHN COCCn1c(N)c(C(=O)CN2CCC[C@H]2C2CCCCC2)c(=O)[nH]c1=O ZINC000053211829 1184216818 /nfs/dbraw/zinc/21/68/18/1184216818.db2.gz OJVOLNSYRPXWHF-AWEZNQCLSA-N 0 3 378.473 0.993 20 0 GCADHN CN1C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)cc2C1=O ZINC000654946977 1184219348 /nfs/dbraw/zinc/21/93/48/1184219348.db2.gz PUKMSTXJHFPDOZ-CVEARBPZSA-N 0 3 384.436 0.984 20 0 GCADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)cc2)c1=O ZINC000654949272 1184220958 /nfs/dbraw/zinc/22/09/58/1184220958.db2.gz QWAPSYUFBTYCJR-IAGOWNOFSA-N 0 3 398.467 0.643 20 0 GCADHN Cn1c2ccc(NC(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)cc2n(C)c1=O ZINC000654946311 1184221430 /nfs/dbraw/zinc/22/14/30/1184221430.db2.gz IWIFZWGWKPUJSX-GJZGRUSLSA-N 0 3 385.468 0.949 20 0 GCADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000654946558 1184221475 /nfs/dbraw/zinc/22/14/75/1184221475.db2.gz LCRNGYCPDJNVEU-KGLIPLIRSA-N 0 3 376.461 0.043 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654946263 1184222161 /nfs/dbraw/zinc/22/21/61/1184222161.db2.gz IIDRMCHKKZJJDG-STQMWFEESA-N 0 3 376.461 0.623 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000062120269 1184230789 /nfs/dbraw/zinc/23/07/89/1184230789.db2.gz GBKVTTAKMDVJJL-UONOGXRCSA-N 0 3 396.513 0.912 20 0 GCADHN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)NC[C@@H]1CNCCO1 ZINC000579815573 1184253854 /nfs/dbraw/zinc/25/38/54/1184253854.db2.gz MCZPULDJMUJPIN-KRWDZBQOSA-N 0 3 381.908 0.750 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000510083649 1184263745 /nfs/dbraw/zinc/26/37/45/1184263745.db2.gz DDMOIKAZMUUYOU-UHFFFAOYSA-N 0 3 399.427 0.360 20 0 GCADHN CCn1c(=O)[nH]c(=O)c2c(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cc(C3CC3)nc21 ZINC000655093303 1184282763 /nfs/dbraw/zinc/28/27/63/1184282763.db2.gz KDPNNLRJFDZWTM-KBPBESRZSA-N 0 3 387.440 0.141 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNCc2ccc(OCC(N)=O)cc2)cc1 ZINC000065977238 1184286827 /nfs/dbraw/zinc/28/68/27/1184286827.db2.gz YISGNIROIWBGLU-UHFFFAOYSA-N 0 3 377.466 0.927 20 0 GCADHN C[C@H](CNC(=O)NC1CCN(c2cccnn2)CC1)CN1CCN(C)CC1 ZINC000683211768 1184290772 /nfs/dbraw/zinc/29/07/72/1184290772.db2.gz PFQUCBFPRTXSEA-MRXNPFEDSA-N 0 3 375.521 0.628 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NC[C@@H]3CCc4ccccc4C3)C2)nn1 ZINC000642699659 1184297234 /nfs/dbraw/zinc/29/72/34/1184297234.db2.gz FQMLGANWDMHJCA-BEFAXECRSA-N 0 3 396.495 0.822 20 0 GCADHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)COC3CNC3)C2)cc1 ZINC000430224337 1184301227 /nfs/dbraw/zinc/30/12/27/1184301227.db2.gz JMACOEKQYAMSSF-HNNXBMFYSA-N 0 3 381.498 0.500 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C[C@@H]1O ZINC000969418617 1184303594 /nfs/dbraw/zinc/30/35/94/1184303594.db2.gz NJSGLEYQKYGFGL-IDCNUPLLSA-N 0 3 386.427 0.891 20 0 GCADHN Cc1c([C@H]2OCC[C@@H]2NC(=O)NCCCCN2CCN(C)CC2)cnn1C ZINC000547690125 1184324102 /nfs/dbraw/zinc/32/41/02/1184324102.db2.gz WHGZFQLRIIPTTA-ZWKOTPCHSA-N 0 3 378.521 0.885 20 0 GCADHN CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC000969512229 1184332461 /nfs/dbraw/zinc/33/24/61/1184332461.db2.gz JRVMXZUFNZXSCE-YVSFHVDLSA-N 0 3 381.517 0.610 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)nc1 ZINC000655257664 1184340411 /nfs/dbraw/zinc/34/04/11/1184340411.db2.gz PYHKBGATUJBJGY-HNNXBMFYSA-N 0 3 375.473 0.565 20 0 GCADHN CCCN1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c2C1 ZINC000579854435 1184340970 /nfs/dbraw/zinc/34/09/70/1184340970.db2.gz YXCGCTYBCOOBEJ-HOCLYGCPSA-N 0 3 385.468 0.121 20 0 GCADHN O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccco1 ZINC000655300544 1184362798 /nfs/dbraw/zinc/36/27/98/1184362798.db2.gz QLCRHXORVIAANF-RCCFBDPRSA-N 0 3 383.448 0.898 20 0 GCADHN COCc1noc(CN2CCN(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)CC2)n1 ZINC000547707015 1184380302 /nfs/dbraw/zinc/38/03/02/1184380302.db2.gz NEAFBPJZHKIXSP-DZGCQCFKSA-N 0 3 378.477 0.526 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)CCN2C1=O ZINC000579860638 1184382475 /nfs/dbraw/zinc/38/24/75/1184382475.db2.gz NXXXJPYUWQPPOH-NEPJUHHUSA-N 0 3 386.433 0.923 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CC4CC5(CCC5)C4)C[C@@H]32)O1 ZINC001083191749 1184390583 /nfs/dbraw/zinc/39/05/83/1184390583.db2.gz PJDKMIFWEYKNHO-MWDXBVQZSA-N 0 3 377.485 0.511 20 0 GCADHN C[C@@H]1CN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCN1CCO ZINC000187701383 1184392017 /nfs/dbraw/zinc/39/20/17/1184392017.db2.gz MNZZIPUGVFAEKH-QGZVFWFLSA-N 0 3 378.492 0.863 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CCCC4CCCC4)C[C@@H]32)O1 ZINC001083191915 1184392604 /nfs/dbraw/zinc/39/26/04/1184392604.db2.gz ZITIYFVADWWKJH-WNRNVDISSA-N 0 3 379.501 0.901 20 0 GCADHN Cc1ccc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1S(N)(=O)=O ZINC000274857541 1184403694 /nfs/dbraw/zinc/40/36/94/1184403694.db2.gz YIRRINLLKFMDFC-CQSZACIVSA-N 0 3 383.518 0.790 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)N3CCN(S(C)(=O)=O)CC3)c2)CC1 ZINC000274856460 1184405207 /nfs/dbraw/zinc/40/52/07/1184405207.db2.gz XYUCYRABSYZIOD-UHFFFAOYSA-N 0 3 395.529 0.938 20 0 GCADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCc2n[nH]c(=O)cc2C1 ZINC000274867701 1184409092 /nfs/dbraw/zinc/40/90/92/1184409092.db2.gz JUMVGYWZPDFHFI-QAPCUYQASA-N 0 3 381.480 0.907 20 0 GCADHN C[C@H](CNC(=O)NCc1cccc(N2CCOCC2)n1)CN1CCN(C)CC1 ZINC000274955613 1184438634 /nfs/dbraw/zinc/43/86/34/1184438634.db2.gz PPLUEVORECFUCQ-QGZVFWFLSA-N 0 3 390.532 0.601 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000547748372 1184471562 /nfs/dbraw/zinc/47/15/62/1184471562.db2.gz RSGHRRFVESQXJA-DZGCQCFKSA-N 0 3 399.561 0.940 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC1 ZINC000655499674 1184485924 /nfs/dbraw/zinc/48/59/24/1184485924.db2.gz ARNGGVDZKTXZKR-UHFFFAOYSA-N 0 3 391.493 0.744 20 0 GCADHN COC(=O)C12CCC(C(=O)NCCCCN3CCN(CCO)CC3)(CC1)C2 ZINC000430296829 1184493181 /nfs/dbraw/zinc/49/31/81/1184493181.db2.gz GZPKSZJCCWUUJF-UHFFFAOYSA-N 0 3 381.517 0.616 20 0 GCADHN CCN1CCN(CCNC(=O)CNC(=O)c2ccccc2OC(F)F)CC1 ZINC000154916554 1184500987 /nfs/dbraw/zinc/50/09/87/1184500987.db2.gz OJKMSODBHFYHNY-UHFFFAOYSA-N 0 3 384.427 0.772 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)c(OC)c1 ZINC000430301478 1184503810 /nfs/dbraw/zinc/50/38/10/1184503810.db2.gz PEUAICROSATKPY-MRXNPFEDSA-N 0 3 391.468 0.757 20 0 GCADHN CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000535630762 1184503888 /nfs/dbraw/zinc/50/38/88/1184503888.db2.gz IZLPIAJCRSKCJI-DLBZAZTESA-N 0 3 383.514 0.267 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000275111868 1184519121 /nfs/dbraw/zinc/51/91/21/1184519121.db2.gz YHPVLNGQRXPFMR-QGZVFWFLSA-N 0 3 390.532 0.743 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000443695239 1184528983 /nfs/dbraw/zinc/52/89/83/1184528983.db2.gz SMXJRKFNZQJWGL-UHFFFAOYSA-N 0 3 399.513 0.628 20 0 GCADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CCCC1 ZINC000655548102 1184529025 /nfs/dbraw/zinc/52/90/25/1184529025.db2.gz HNPYBYSIVKLKDX-GDBMZVCRSA-N 0 3 387.550 0.477 20 0 GCADHN CC(=O)NC1CCC(NCc2ccccc2S(=O)(=O)N(C)CCO)CC1 ZINC000275160671 1184536986 /nfs/dbraw/zinc/53/69/86/1184536986.db2.gz AQYHHQYFZBUJJV-UHFFFAOYSA-N 0 3 383.514 0.836 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCCN(C)CC2)cc1NS(C)(=O)=O ZINC000275220979 1184556911 /nfs/dbraw/zinc/55/69/11/1184556911.db2.gz HWTLYBFWLNFCCC-UHFFFAOYSA-N 0 3 384.458 0.169 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1[N-]S(C)(=O)=O ZINC000275220979 1184556916 /nfs/dbraw/zinc/55/69/16/1184556916.db2.gz HWTLYBFWLNFCCC-UHFFFAOYSA-N 0 3 384.458 0.169 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1[N-]S(C)(=O)=O ZINC000275220979 1184556922 /nfs/dbraw/zinc/55/69/22/1184556922.db2.gz HWTLYBFWLNFCCC-UHFFFAOYSA-N 0 3 384.458 0.169 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(C3CCCC3)CC2)cc1 ZINC000027118447 1184558545 /nfs/dbraw/zinc/55/85/45/1184558545.db2.gz IMTGAGFUSAOPTB-UHFFFAOYSA-N 0 3 394.541 0.553 20 0 GCADHN CN1CCN(CCCNC(=O)NCCN2CCOCC2)[C@H](c2ccccc2)C1 ZINC000047618083 1184566181 /nfs/dbraw/zinc/56/61/81/1184566181.db2.gz CHCBGGLQARPNAY-FQEVSTJZSA-N 0 3 389.544 0.997 20 0 GCADHN CN(CC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCC[C@H]1O ZINC001625854992 1184573486 /nfs/dbraw/zinc/57/34/86/1184573486.db2.gz DSFNJQVGNULWJY-ZIAGYGMSSA-N 0 3 391.440 0.205 20 0 GCADHN COCC(=O)N1CCc2cc(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)ccc21 ZINC000275274829 1184576348 /nfs/dbraw/zinc/57/63/48/1184576348.db2.gz QXVPIQKQNABAKM-OAHLLOKOSA-N 0 3 388.468 0.571 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)C[C@@H](C)O1 ZINC000275285891 1184584230 /nfs/dbraw/zinc/58/42/30/1184584230.db2.gz LVBCUTWRPFRVQU-KJWYOANISA-N 0 3 390.484 0.963 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C[C@H](C)O1 ZINC000275285894 1184584446 /nfs/dbraw/zinc/58/44/46/1184584446.db2.gz LVBCUTWRPFRVQU-LTCOOKNTSA-N 0 3 390.484 0.963 20 0 GCADHN CCCOc1cc(C)ccc1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651958786 1184586289 /nfs/dbraw/zinc/58/62/89/1184586289.db2.gz SASSTVNQENYPOY-UHFFFAOYSA-N 0 3 390.484 0.955 20 0 GCADHN CSCCCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000510181514 1184596011 /nfs/dbraw/zinc/59/60/11/1184596011.db2.gz AEPBVNLKELLJFR-HNNXBMFYSA-N 0 3 384.546 0.401 20 0 GCADHN CC(C)OCCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000510217669 1184616017 /nfs/dbraw/zinc/61/60/17/1184616017.db2.gz NXDOPUXJYFCQDV-INIZCTEOSA-N 0 3 382.505 0.073 20 0 GCADHN COc1ccc(C(=O)N2CCC(NC(=O)C[C@H]3CNCCO3)CC2)cc1OC ZINC000430383910 1184635291 /nfs/dbraw/zinc/63/52/91/1184635291.db2.gz HVYYOJVOSBXDAR-INIZCTEOSA-N 0 3 391.468 0.803 20 0 GCADHN CNC(=O)C1CCN(C[C@@H](O)COc2ccc(C(=O)OC)cc2OC)CC1 ZINC000025755597 1184641848 /nfs/dbraw/zinc/64/18/48/1184641848.db2.gz DACZTQFRDFKBHK-OAHLLOKOSA-N 0 3 380.441 0.680 20 0 GCADHN CNC(=O)C1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2OC)CC1 ZINC000025755600 1184641950 /nfs/dbraw/zinc/64/19/50/1184641950.db2.gz DACZTQFRDFKBHK-HNNXBMFYSA-N 0 3 380.441 0.680 20 0 GCADHN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)c1 ZINC000430396865 1184646594 /nfs/dbraw/zinc/64/65/94/1184646594.db2.gz VAYIVKCEFKMYSY-SJLPKXTDSA-N 0 3 375.469 0.812 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1(C)C ZINC000275407584 1184655949 /nfs/dbraw/zinc/65/59/49/1184655949.db2.gz CLZXFJKKDLPIJO-UZLBHIALSA-N 0 3 375.517 0.982 20 0 GCADHN CN(CC(=O)Nc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000683415654 1184669089 /nfs/dbraw/zinc/66/90/89/1184669089.db2.gz PEOMQDCFDDTAOW-KRWDZBQOSA-N 0 3 395.525 0.701 20 0 GCADHN Cc1nc(Cn2nnc(C(=O)Nc3cnccc3N3CCN(C)CC3)c2C)no1 ZINC000579902918 1184671162 /nfs/dbraw/zinc/67/11/62/1184671162.db2.gz KOEHEQPWRROQQT-UHFFFAOYSA-N 0 3 397.443 0.725 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1-n1nnnc1C1CC1 ZINC000275462874 1184678470 /nfs/dbraw/zinc/67/84/70/1184678470.db2.gz VPPNIRWUDYHYHB-UHFFFAOYSA-N 0 3 387.444 0.507 20 0 GCADHN CCO[C@H]1C[C@](CO)(NCC(=O)NCc2ccc(OCC(N)=O)cc2)C1(C)C ZINC000275500014 1184689433 /nfs/dbraw/zinc/68/94/33/1184689433.db2.gz GQZGZLQLGCYMPG-OXJNMPFZSA-N 0 3 393.484 0.323 20 0 GCADHN CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)N(C)C)c2)CC1 ZINC000275515819 1184695121 /nfs/dbraw/zinc/69/51/21/1184695121.db2.gz UZRRZZYAINETIU-AWEZNQCLSA-N 0 3 375.473 0.360 20 0 GCADHN COC(=O)c1scc(C)c1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000275513255 1184695144 /nfs/dbraw/zinc/69/51/44/1184695144.db2.gz UOLKJOAPNBOUAA-UHFFFAOYSA-N 0 3 382.486 0.535 20 0 GCADHN COc1ccc([C@@H](CNC(=O)[C@H]2C[C@H](F)CN2)N2CCOCC2)cc1OC ZINC000275551936 1184707979 /nfs/dbraw/zinc/70/79/79/1184707979.db2.gz SRIOULMTEQQMQD-ARFHVFGLSA-N 0 3 381.448 0.893 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CC(=O)NC(=O)C23CCCCC3)c1 ZINC000275563658 1184714126 /nfs/dbraw/zinc/71/41/26/1184714126.db2.gz BFURWNBWPLIOHX-UHFFFAOYSA-N 0 3 386.452 0.875 20 0 GCADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000430425665 1184718375 /nfs/dbraw/zinc/71/83/75/1184718375.db2.gz OKIZXNOHNSQKPY-JKSUJKDBSA-N 0 3 381.521 0.581 20 0 GCADHN COc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1S(=O)(=O)NC1CC1 ZINC000579918384 1184729807 /nfs/dbraw/zinc/72/98/07/1184729807.db2.gz OYUXHYLVBXDHRI-DZGCQCFKSA-N 0 3 379.482 0.912 20 0 GCADHN O=C(NCc1cccc(NS(=O)(=O)C2CC2)c1)[C@H]1CN2CCN1CCC2 ZINC000890862157 1184733079 /nfs/dbraw/zinc/73/30/79/1184733079.db2.gz GODCYOGWGMARDG-QGZVFWFLSA-N 0 3 378.498 0.597 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000332928276 1184748409 /nfs/dbraw/zinc/74/84/09/1184748409.db2.gz MIZANQAVRCSDRT-XJKSGUPXSA-N 0 3 397.545 0.837 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CN(CCCN2CCCC2=O)C1 ZINC000970204537 1184751999 /nfs/dbraw/zinc/75/19/99/1184751999.db2.gz NOGIIOMJKCIJQD-QSOKESPWSA-N 0 3 379.501 0.487 20 0 GCADHN Cc1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001707873248 1184775456 /nfs/dbraw/zinc/77/54/56/1184775456.db2.gz SEECYVLNZONPCL-OXQOHEQNSA-N 0 3 392.548 0.997 20 0 GCADHN COC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000608867006 1184781623 /nfs/dbraw/zinc/78/16/23/1184781623.db2.gz GULHPVOOTVCDPK-CQSZACIVSA-N 0 3 383.470 0.339 20 0 GCADHN COC(=O)c1scc(C)c1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000275597399 1184789172 /nfs/dbraw/zinc/78/91/72/1184789172.db2.gz HHFSPZPBMJEHLF-GFCCVEGCSA-N 0 3 396.513 0.781 20 0 GCADHN CN(C)CCn1nccc1C(=O)N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000890994085 1184812817 /nfs/dbraw/zinc/81/28/17/1184812817.db2.gz HEEHWURKDBGEIT-LLVKDONJSA-N 0 3 379.852 0.602 20 0 GCADHN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000275611895 1184819671 /nfs/dbraw/zinc/81/96/71/1184819671.db2.gz ITIYAZVCZPGBPX-JKSUJKDBSA-N 0 3 377.441 0.520 20 0 GCADHN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000121687227 1184823211 /nfs/dbraw/zinc/82/32/11/1184823211.db2.gz PWGKUUXCCCWTEE-UHFFFAOYSA-N 0 3 378.521 0.701 20 0 GCADHN CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCN(C)C(C)(C)C3)c2)CC1 ZINC000891007491 1184827240 /nfs/dbraw/zinc/82/72/40/1184827240.db2.gz GPENRKRCWBJBAU-UHFFFAOYSA-N 0 3 387.528 0.925 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000275620173 1184829439 /nfs/dbraw/zinc/82/94/39/1184829439.db2.gz MTIROPMWROOIAE-JYJNAYRXSA-N 0 3 392.504 0.492 20 0 GCADHN CN(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C1CCN(CCc2ccccn2)CC1 ZINC000471445998 1184844466 /nfs/dbraw/zinc/84/44/66/1184844466.db2.gz ZVUDRFYWULCUBE-ZWKOTPCHSA-N 0 3 389.500 0.763 20 0 GCADHN CN(C)CCn1c2cc(C(=O)N3CCS(=O)(=O)CCO3)ccc2[nH]c1=O ZINC001648871171 1184869856 /nfs/dbraw/zinc/86/98/56/1184869856.db2.gz KVHXMXPHKHLTQM-UHFFFAOYSA-N 0 3 382.442 0.106 20 0 GCADHN COCC[C@@]1(NCC(=O)NCc2ccccc2CN2CCOCC2)CCOC1 ZINC000683678804 1184881476 /nfs/dbraw/zinc/88/14/76/1184881476.db2.gz PCDVDPDIWMKHNP-OAQYLSRUSA-N 0 3 391.512 0.920 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)cc1 ZINC000683679794 1184882218 /nfs/dbraw/zinc/88/22/18/1184882218.db2.gz PSOIYFNXFOLKOE-UHFFFAOYSA-N 0 3 396.513 0.771 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1)N1CCC(C)CC1 ZINC000579984975 1184888803 /nfs/dbraw/zinc/88/88/03/1184888803.db2.gz FJZZMWBZYWUFNQ-QGZVFWFLSA-N 0 3 382.549 0.792 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)CN1CCN(C)CC1 ZINC000556356654 1184899697 /nfs/dbraw/zinc/89/96/97/1184899697.db2.gz NZNPPZGHYZDGRG-OAHLLOKOSA-N 0 3 392.548 0.665 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000580004583 1184901422 /nfs/dbraw/zinc/90/14/22/1184901422.db2.gz WREQGMXYWQQUDM-UHFFFAOYSA-N 0 3 395.891 0.880 20 0 GCADHN CN(CCN1CCN(C(=O)NCCN2CCNC2=O)CC1)Cc1ccccc1 ZINC000891078663 1184911485 /nfs/dbraw/zinc/91/14/85/1184911485.db2.gz OEMUSNOKDNJMKX-UHFFFAOYSA-N 0 3 388.516 0.471 20 0 GCADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000275688151 1184929854 /nfs/dbraw/zinc/92/98/54/1184929854.db2.gz XLAFJRHFSQBSOU-HKUYNNGSSA-N 0 3 375.469 0.724 20 0 GCADHN O=C(CN1CCC(NC(=O)c2[nH]nc3c2CNCC3)CC1)Nc1ccccc1 ZINC000188706476 1184940955 /nfs/dbraw/zinc/94/09/55/1184940955.db2.gz WYFAHVXBKGYHSJ-UHFFFAOYSA-N 0 3 382.468 0.888 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188701510 1184942008 /nfs/dbraw/zinc/94/20/08/1184942008.db2.gz LQBMJPKJRVWJCS-NSHDSACASA-N 0 3 378.454 0.878 20 0 GCADHN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)O2)[C@H]1C ZINC000891107320 1184953332 /nfs/dbraw/zinc/95/33/32/1184953332.db2.gz LHUKFFWOJANQPQ-YIOZNXECSA-N 0 3 384.521 0.620 20 0 GCADHN Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000891108509 1184956380 /nfs/dbraw/zinc/95/63/80/1184956380.db2.gz YRORUELYLQFISG-UGSOOPFHSA-N 0 3 380.468 0.598 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)nc1 ZINC000656022080 1184958758 /nfs/dbraw/zinc/95/87/58/1184958758.db2.gz BDXPPEFTCGHGAQ-HIFRSBDPSA-N 0 3 391.472 0.384 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)cc1 ZINC000656026496 1184962917 /nfs/dbraw/zinc/96/29/17/1184962917.db2.gz JFDISTIJXDVPQS-OAHLLOKOSA-N 0 3 387.488 0.984 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)ccc1C ZINC000041712318 1184963801 /nfs/dbraw/zinc/96/38/01/1184963801.db2.gz FKLGZMVKICKXEM-ZDUSSCGKSA-N 0 3 396.513 0.690 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000041719512 1184964611 /nfs/dbraw/zinc/96/46/11/1184964611.db2.gz QBFANLDGMHRMNQ-UHFFFAOYSA-N 0 3 384.383 0.700 20 0 GCADHN CCN1CCN(CCNC(=O)[C@H](CCSC)NC(=O)c2ccco2)CC1 ZINC000042591345 1184983734 /nfs/dbraw/zinc/98/37/34/1184983734.db2.gz QZDCIFFVORVQGE-HNNXBMFYSA-N 0 3 382.530 0.885 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1CC[C@H](c2ccccc2)NC1=O ZINC000616479417 1184994656 /nfs/dbraw/zinc/99/46/56/1184994656.db2.gz IAFSIKOGPLMHDM-DOTOQJQBSA-N 0 3 387.484 0.721 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)nc1 ZINC000656068143 1185005324 /nfs/dbraw/zinc/00/53/24/1185005324.db2.gz PUADVBPNLKONOX-INIZCTEOSA-N 0 3 387.484 0.852 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000656075809 1185012050 /nfs/dbraw/zinc/01/20/50/1185012050.db2.gz WQNQTFYHGXHBOT-UHFFFAOYSA-N 0 3 393.517 0.696 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(OC2COC2)cc1)CN1CCN(C)CC1 ZINC000275752423 1185023795 /nfs/dbraw/zinc/02/37/95/1185023795.db2.gz XXQRONKMYPOXAD-HNNXBMFYSA-N 0 3 390.484 0.402 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1 ZINC000656104313 1185030356 /nfs/dbraw/zinc/03/03/56/1185030356.db2.gz NJQWUXDBEHNKNU-INIZCTEOSA-N 0 3 391.520 0.233 20 0 GCADHN NC(=O)COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000275763185 1185035524 /nfs/dbraw/zinc/03/55/24/1185035524.db2.gz VDEUCUZBOSSQIB-MRXNPFEDSA-N 0 3 388.468 0.966 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)C1 ZINC000668405843 1185056904 /nfs/dbraw/zinc/05/69/04/1185056904.db2.gz VZFZEKRHOGLYPA-RBUKOAKNSA-N 0 3 388.512 0.777 20 0 GCADHN CC(C)C[C@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000655300497 1185060894 /nfs/dbraw/zinc/06/08/94/1185060894.db2.gz NWGJHNPKLZTRJN-HDMKZQKVSA-N 0 3 385.464 0.975 20 0 GCADHN COc1cccc(Cn2nccc2NC(=O)NCCN(C)CCO)c1OC ZINC001670545012 1185062021 /nfs/dbraw/zinc/06/20/21/1185062021.db2.gz MMRFSJDQSCWFQQ-UHFFFAOYSA-N 0 3 377.445 0.994 20 0 GCADHN NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)NCCN2CCCOCC2)c1 ZINC000275799742 1185075708 /nfs/dbraw/zinc/07/57/08/1185075708.db2.gz IFQVDPJNCCNITJ-GOSISDBHSA-N 0 3 389.500 0.980 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)cc1 ZINC000275802651 1185095547 /nfs/dbraw/zinc/09/55/47/1185095547.db2.gz XEEMDJSNIVLYFO-GOEBONIOSA-N 0 3 383.445 0.422 20 0 GCADHN COCCN1CCC(NC(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)CC1 ZINC000683826007 1185096207 /nfs/dbraw/zinc/09/62/07/1185096207.db2.gz VLDQVTRHPUXWOQ-KRWDZBQOSA-N 0 3 381.521 0.885 20 0 GCADHN C[C@H](N[C@@H](C)c1cccc(-n2ccnn2)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000580176996 1185103225 /nfs/dbraw/zinc/10/32/25/1185103225.db2.gz NJLSIZFRGVGLSR-SOUVJXGZSA-N 0 3 391.497 0.857 20 0 GCADHN C[C@@H](N[C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1cccc(-n2ccnn2)c1 ZINC000580176993 1185103693 /nfs/dbraw/zinc/10/36/93/1185103693.db2.gz NJLSIZFRGVGLSR-ILXRZTDVSA-N 0 3 391.497 0.857 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4Cl)C3)CCN2C1=O ZINC000580217779 1185120686 /nfs/dbraw/zinc/12/06/86/1185120686.db2.gz BPYBOHURKZXBHU-YRGRVCCFSA-N 0 3 391.859 0.399 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNCc1cnc(N2CCCC2)nc1 ZINC000580251976 1185130909 /nfs/dbraw/zinc/13/09/09/1185130909.db2.gz VIDHSHGAGKWDTR-MRXNPFEDSA-N 0 3 382.534 0.827 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000255356641 1185149887 /nfs/dbraw/zinc/14/98/87/1185149887.db2.gz YGJBSSCZOMLYBP-DLBZAZTESA-N 0 3 388.578 0.580 20 0 GCADHN O=C(NC[C@H]1CCCS(=O)(=O)C1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000580350702 1185187729 /nfs/dbraw/zinc/18/77/29/1185187729.db2.gz PGNLLGCMWUEYGJ-MJGOQNOKSA-N 0 3 395.525 0.747 20 0 GCADHN CCC1(CC)[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@@H]1OC ZINC000580362227 1185202295 /nfs/dbraw/zinc/20/22/95/1185202295.db2.gz HLXYSQZPLGELNS-IRXDYDNUSA-N 0 3 382.549 0.792 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@@H]1OC ZINC000580362228 1185202534 /nfs/dbraw/zinc/20/25/34/1185202534.db2.gz HLXYSQZPLGELNS-SJORKVTESA-N 0 3 382.549 0.792 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCS1 ZINC000580413208 1185223406 /nfs/dbraw/zinc/22/34/06/1185223406.db2.gz QFTXPMVYSDCFNV-HUUCEWRRSA-N 0 3 382.530 0.105 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCCS(=O)(=O)NCc2ccccc2)C[C@@H](C)O1 ZINC000580422541 1185227940 /nfs/dbraw/zinc/22/79/40/1185227940.db2.gz QUSLWYKDAWVPRL-NUJGCVRESA-N 0 3 385.530 0.166 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4nc(C5CC5)sc4c3)CCN2C1=O ZINC000580451374 1185234117 /nfs/dbraw/zinc/23/41/17/1185234117.db2.gz FBAWBURTCQSVFI-OLZOCXBDSA-N 0 3 399.476 0.883 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4nc(C5CC5)sc4c3)CCN2C1=O ZINC000580451375 1185234524 /nfs/dbraw/zinc/23/45/24/1185234524.db2.gz FBAWBURTCQSVFI-QWHCGFSZSA-N 0 3 399.476 0.883 20 0 GCADHN COc1ncc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1C(N)=O ZINC000275906508 1185264562 /nfs/dbraw/zinc/26/45/62/1185264562.db2.gz PXPDSJOVOLTOPB-MLGOLLRUSA-N 0 3 399.451 0.935 20 0 GCADHN CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000275915545 1185273257 /nfs/dbraw/zinc/27/32/57/1185273257.db2.gz SALZILJLOOKQSO-INIZCTEOSA-N 0 3 381.498 0.028 20 0 GCADHN O=C(NCCc1nnc2n1CCCCC2)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000580586748 1185282362 /nfs/dbraw/zinc/28/23/62/1185282362.db2.gz OEOSIDCROAHJOS-MRXNPFEDSA-N 0 3 388.516 0.750 20 0 GCADHN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(C2CCCC2)CC1 ZINC000056689794 1185294242 /nfs/dbraw/zinc/29/42/42/1185294242.db2.gz MQHSSZMGWHMYPV-UHFFFAOYSA-N 0 3 377.466 0.918 20 0 GCADHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000510335318 1185294964 /nfs/dbraw/zinc/29/49/64/1185294964.db2.gz UKEUEQZDPFRKQR-ZFWWWQNUSA-N 0 3 396.513 0.264 20 0 GCADHN C[C@H](NC(=O)CN1CCC(N2CCOC[C@H]2C)CC1)C(=O)N1CCCCC1 ZINC000580656709 1185299158 /nfs/dbraw/zinc/29/91/58/1185299158.db2.gz DQRYYKATARHZNP-SJORKVTESA-N 0 3 380.533 0.689 20 0 GCADHN C[C@@H](NC(=O)CN1CCC(N2CCOC[C@@H]2C)CC1)C(=O)N1CCCCC1 ZINC000580656706 1185299845 /nfs/dbraw/zinc/29/98/45/1185299845.db2.gz DQRYYKATARHZNP-DLBZAZTESA-N 0 3 380.533 0.689 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000580708798 1185309808 /nfs/dbraw/zinc/30/98/08/1185309808.db2.gz BGIUTIBPCYYTMV-GXTWGEPZSA-N 0 3 383.395 0.997 20 0 GCADHN COCCN(C)C[C@H](O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000580725406 1185316277 /nfs/dbraw/zinc/31/62/77/1185316277.db2.gz RAUNFUKPOHFCOP-HNNXBMFYSA-N 0 3 375.404 0.660 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000656287074 1185325347 /nfs/dbraw/zinc/32/53/47/1185325347.db2.gz XYGMQOAKUKBORX-QGZVFWFLSA-N 0 3 382.549 0.792 20 0 GCADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cn1 ZINC000275942136 1185328505 /nfs/dbraw/zinc/32/85/05/1185328505.db2.gz PMCMRNZNBZGWBN-UHFFFAOYSA-N 0 3 379.461 0.672 20 0 GCADHN O=C(NCCc1nnc2n1CCCCC2)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656289029 1185333139 /nfs/dbraw/zinc/33/31/39/1185333139.db2.gz JEIHGXWZQFPPLZ-JKSUJKDBSA-N 0 3 388.516 0.796 20 0 GCADHN C[C@@H](CNC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000610461151 1185335021 /nfs/dbraw/zinc/33/50/21/1185335021.db2.gz LCJDAVZGVFKUSD-JKSUJKDBSA-N 0 3 384.521 0.622 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cnnn2-c2cccc(F)c2)CC1 ZINC000684046956 1185336128 /nfs/dbraw/zinc/33/61/28/1185336128.db2.gz BRPCBAGACZBELE-INIZCTEOSA-N 0 3 386.431 0.961 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)c1 ZINC000656299696 1185366145 /nfs/dbraw/zinc/36/61/45/1185366145.db2.gz BKXOKOFEEYAXIS-INIZCTEOSA-N 0 3 375.517 0.357 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)C)cc2)CC1 ZINC000275995034 1185388713 /nfs/dbraw/zinc/38/87/13/1185388713.db2.gz VMHWFMXSJCQFDH-QGZVFWFLSA-N 0 3 389.500 0.389 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1c(OC)ncnc1N(C)C ZINC000275996021 1185393920 /nfs/dbraw/zinc/39/39/20/1185393920.db2.gz YGECNJKPHRWGGW-OLZOCXBDSA-N 0 3 376.461 0.575 20 0 GCADHN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656315886 1185398778 /nfs/dbraw/zinc/39/87/78/1185398778.db2.gz MYUNLRBNBFJWMN-YYIAUSFCSA-N 0 3 378.517 0.883 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000275998661 1185408718 /nfs/dbraw/zinc/40/87/18/1185408718.db2.gz YNWCMOMEFHMZJE-CABCVRRESA-N 0 3 385.468 0.901 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N[C@H](C)C3=CCN(C)CC3)CC2)nc1 ZINC000656336208 1185430689 /nfs/dbraw/zinc/43/06/89/1185430689.db2.gz XLHZKPAHBKFZCW-OAHLLOKOSA-N 0 3 387.484 0.921 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337538 1185434063 /nfs/dbraw/zinc/43/40/63/1185434063.db2.gz UNMGXNQVTGSWPL-NXOAAHMSSA-N 0 3 382.549 0.837 20 0 GCADHN Cn1ccnc1[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000656338789 1185435353 /nfs/dbraw/zinc/43/53/53/1185435353.db2.gz XSBMTYAHGUUDTA-QZWWFDLISA-N 0 3 389.500 0.890 20 0 GCADHN Cn1cc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2C2CC2)cn1 ZINC000580957357 1185446742 /nfs/dbraw/zinc/44/67/42/1185446742.db2.gz FOOCNDZQZYZLDZ-INIZCTEOSA-N 0 3 384.488 0.756 20 0 GCADHN CC(C)OCCN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656353318 1185447697 /nfs/dbraw/zinc/44/76/97/1185447697.db2.gz AFDIUXFAIGMSKO-QZTJIDSGSA-N 0 3 380.533 0.689 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(OCCN[C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000933042923 1185450933 /nfs/dbraw/zinc/45/09/33/1185450933.db2.gz PNVBRXNDRDWKMS-INIZCTEOSA-N 0 3 397.497 0.201 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nnn1-c1ccc2ncccc2c1 ZINC000580964153 1185451793 /nfs/dbraw/zinc/45/17/93/1185451793.db2.gz YOIAXONHSKSKQX-CVEARBPZSA-N 0 3 391.435 0.508 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)[C@H](C)C1=O ZINC000656353467 1185452832 /nfs/dbraw/zinc/45/28/32/1185452832.db2.gz ATUTWSNZMRJDLR-ZACQAIPSSA-N 0 3 378.517 0.835 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000656356180 1185454802 /nfs/dbraw/zinc/45/48/02/1185454802.db2.gz RKZGEDXQMJRABG-OALUTQOASA-N 0 3 385.512 0.859 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000656355626 1185455548 /nfs/dbraw/zinc/45/55/48/1185455548.db2.gz MCSRHLGMRAKKIH-JKSUJKDBSA-N 0 3 390.463 0.397 20 0 GCADHN O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656355639 1185455926 /nfs/dbraw/zinc/45/59/26/1185455926.db2.gz MKXMJXIVQCABOI-BZUAXINKSA-N 0 3 377.489 0.182 20 0 GCADHN O=C1NC2(CCCC2)C(=O)N1CCNCc1cnc(N2CCOCC2)s1 ZINC000548150233 1185457092 /nfs/dbraw/zinc/45/70/92/1185457092.db2.gz MSLHUEHZMQXRKK-UHFFFAOYSA-N 0 3 379.486 0.934 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC000656356679 1185457864 /nfs/dbraw/zinc/45/78/64/1185457864.db2.gz GNDRUSWPVHTUIL-HNNXBMFYSA-N 0 3 379.457 0.672 20 0 GCADHN CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656357888 1185459732 /nfs/dbraw/zinc/45/97/32/1185459732.db2.gz HLROEQXDCVMXMA-IAGOWNOFSA-N 0 3 378.517 0.836 20 0 GCADHN Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656359248 1185460754 /nfs/dbraw/zinc/46/07/54/1185460754.db2.gz XGUBRDLHXCMGEL-DLBZAZTESA-N 0 3 386.500 0.567 20 0 GCADHN Cn1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)cn1 ZINC000656360151 1185463262 /nfs/dbraw/zinc/46/32/62/1185463262.db2.gz RWDGMKJJKKAJJY-MSOLQXFVSA-N 0 3 388.516 0.197 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc2cncn2c1 ZINC000656367257 1185477448 /nfs/dbraw/zinc/47/74/48/1185477448.db2.gz MPYYSUKSDAHBHZ-APWZRJJASA-N 0 3 386.500 0.881 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c2ccccc2O1 ZINC000276019057 1185483816 /nfs/dbraw/zinc/48/38/16/1185483816.db2.gz HRTCYPKWWOKZBO-DYVFJYSZSA-N 0 3 386.452 0.293 20 0 GCADHN Cc1c(C)c(C)c(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(C)c1C ZINC000581082404 1185487833 /nfs/dbraw/zinc/48/78/33/1185487833.db2.gz JZMNWTSBHMZGHC-FUHWJXTLSA-N 0 3 386.496 0.615 20 0 GCADHN Cc1c(C)c(C)c(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C)c1C ZINC000581082406 1185488167 /nfs/dbraw/zinc/48/81/67/1185488167.db2.gz JZMNWTSBHMZGHC-WMZOPIPTSA-N 0 3 386.496 0.615 20 0 GCADHN COC1CCC(C)(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000581099002 1185497244 /nfs/dbraw/zinc/49/72/44/1185497244.db2.gz HTLBSIOYLYYSJL-UHFFFAOYSA-N 0 3 382.549 0.794 20 0 GCADHN CN(CCN1CCN(C(=O)NC[C@H]2CCCNC2=O)CC1)Cc1ccccc1 ZINC000656387241 1185500718 /nfs/dbraw/zinc/50/07/18/1185500718.db2.gz BBVSJBHGHVORFP-LJQANCHMSA-N 0 3 387.528 0.972 20 0 GCADHN O=C(CN[C@H](C1CC1)[C@@]1(CO)CCCO1)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000581120203 1185504877 /nfs/dbraw/zinc/50/48/77/1185504877.db2.gz NXKFQEYKOVUBNH-MOPGFXCFSA-N 0 3 397.422 0.929 20 0 GCADHN O=C(CN[C@@H](C1CC1)[C@@]1(CO)CCCO1)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000581120204 1185504948 /nfs/dbraw/zinc/50/49/48/1185504948.db2.gz NXKFQEYKOVUBNH-OALUTQOASA-N 0 3 397.422 0.929 20 0 GCADHN O=C(CN[C@H](C1CC1)[C@]1(CO)CCCO1)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000581120206 1185505080 /nfs/dbraw/zinc/50/50/80/1185505080.db2.gz NXKFQEYKOVUBNH-RTBURBONSA-N 0 3 397.422 0.929 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000156007008 1185507732 /nfs/dbraw/zinc/50/77/32/1185507732.db2.gz XLKDLNRXVCDMQV-IBGZPJMESA-N 0 3 388.560 0.593 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000581142207 1185515239 /nfs/dbraw/zinc/51/52/39/1185515239.db2.gz JFZBMCKTPAJIIJ-CQSZACIVSA-N 0 3 376.457 0.726 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000581185157 1185524153 /nfs/dbraw/zinc/52/41/53/1185524153.db2.gz CPBZZOBIRQEPSR-HDMKZQKVSA-N 0 3 379.457 0.821 20 0 GCADHN COc1ccc(Cn2cc(NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cn2)cc1 ZINC000581201176 1185527598 /nfs/dbraw/zinc/52/75/98/1185527598.db2.gz ADWYQABMEDAFTF-NVXWUHKLSA-N 0 3 384.440 0.716 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)c(C)c2)CC1 ZINC000276052412 1185533719 /nfs/dbraw/zinc/53/37/19/1185533719.db2.gz KDQITPNCZNSDCV-IRXDYDNUSA-N 0 3 390.484 0.030 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000276077304 1185549359 /nfs/dbraw/zinc/54/93/59/1185549359.db2.gz WDGLRWRQQPLMFE-UHFFFAOYSA-N 0 3 384.484 0.907 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000276096300 1185569600 /nfs/dbraw/zinc/56/96/00/1185569600.db2.gz WJDGXQQAXJIZJA-UHFFFAOYSA-N 0 3 382.436 0.734 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000581299703 1185574550 /nfs/dbraw/zinc/57/45/50/1185574550.db2.gz XVZIWTUFZJSVDS-QZTJIDSGSA-N 0 3 395.548 0.197 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N(CCO)C3CCC3)cc21 ZINC000276110744 1185577935 /nfs/dbraw/zinc/57/79/35/1185577935.db2.gz KPDUSAMWVOEMOW-UHFFFAOYSA-N 0 3 390.440 0.468 20 0 GCADHN NC(=O)c1ccccc1NC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001266701114 1185592971 /nfs/dbraw/zinc/59/29/71/1185592971.db2.gz GWWQSMLCZMVRHT-SFTWWYANSA-N 0 3 398.463 0.384 20 0 GCADHN COC(=O)c1cccn(CC(=O)N2CCN(CC3CCOCC3)CC2)c1=O ZINC000933175066 1185608929 /nfs/dbraw/zinc/60/89/29/1185608929.db2.gz OBVILGBWYZVPOP-UHFFFAOYSA-N 0 3 377.441 0.206 20 0 GCADHN N[C@@H]1C[C@H]2CN(c3cnn(-c4ccc(F)cc4F)c(=O)c3Cl)CCN2C1=O ZINC000581380664 1185627520 /nfs/dbraw/zinc/62/75/20/1185627520.db2.gz BQLXNYVTIMOHPA-CMPLNLGQSA-N 0 3 395.797 0.912 20 0 GCADHN Cc1c([C@H]2[C@H](CNC(=O)N3CCN(C)CC[C@H]3C)CC(=O)N2C)cnn1C ZINC000581405822 1185648583 /nfs/dbraw/zinc/64/85/83/1185648583.db2.gz OSZLWEGMEHDFMY-QIIPPGSGSA-N 0 3 376.505 0.984 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)[C@H]1CO ZINC000276181391 1185663699 /nfs/dbraw/zinc/66/36/99/1185663699.db2.gz RNHHLZGAAHLZHP-WFASDCNBSA-N 0 3 390.440 0.324 20 0 GCADHN COC(=O)c1cccc(NC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000581429830 1185687152 /nfs/dbraw/zinc/68/71/52/1185687152.db2.gz KNHSGFJWQIQHIK-INIZCTEOSA-N 0 3 388.468 0.556 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)N1CCC[C@@H](C)C1 ZINC000581436809 1185690523 /nfs/dbraw/zinc/69/05/23/1185690523.db2.gz BFHXWIMGBAHJQI-CABCVRRESA-N 0 3 385.468 0.547 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000581440469 1185691597 /nfs/dbraw/zinc/69/15/97/1185691597.db2.gz HOZMDJSYBXHNCO-OPQQBVKSSA-N 0 3 399.278 0.941 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000581440975 1185691875 /nfs/dbraw/zinc/69/18/75/1185691875.db2.gz XWTLKPVZYUMGSQ-KGLIPLIRSA-N 0 3 399.278 0.423 20 0 GCADHN C[NH+](C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C[C@@H]1O ZINC000581445224 1185693267 /nfs/dbraw/zinc/69/32/67/1185693267.db2.gz RPUIVVGUDAMVBU-HOTGVXAUSA-N 0 3 396.444 0.702 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000684271985 1185711786 /nfs/dbraw/zinc/71/17/86/1185711786.db2.gz YKZXCYAHLLRGGF-GXTWGEPZSA-N 0 3 376.423 0.811 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000684271986 1185711867 /nfs/dbraw/zinc/71/18/67/1185711867.db2.gz YKZXCYAHLLRGGF-JSGCOSHPSA-N 0 3 376.423 0.811 20 0 GCADHN Cc1cnc(Cl)c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000276299984 1185721989 /nfs/dbraw/zinc/72/19/89/1185721989.db2.gz DVFFZTMRNJQIOG-CQSZACIVSA-N 0 3 393.875 0.747 20 0 GCADHN COCCOCCOCCN(C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000276307576 1185725743 /nfs/dbraw/zinc/72/57/43/1185725743.db2.gz WSKDBBZSSVCAIC-HNNXBMFYSA-N 0 3 380.441 0.255 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)c2)CC1 ZINC000276313116 1185728721 /nfs/dbraw/zinc/72/87/21/1185728721.db2.gz NMWYPSQDIVLSSN-HZPDHXFCSA-N 0 3 392.500 0.357 20 0 GCADHN O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000581502555 1185730542 /nfs/dbraw/zinc/73/05/42/1185730542.db2.gz UGPMMBFYUGGGML-SFHVURJKSA-N 0 3 392.544 0.834 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)C3CCOCC3)C2)CC1 ZINC000581507786 1185732290 /nfs/dbraw/zinc/73/22/90/1185732290.db2.gz XDVDGRIQSNCUPI-SJLPKXTDSA-N 0 3 380.533 0.545 20 0 GCADHN C[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)C(=O)NCCN1CCCCC1 ZINC000581537050 1185748498 /nfs/dbraw/zinc/74/84/98/1185748498.db2.gz ZMJDQRKQCNRNOG-CQSZACIVSA-N 0 3 378.448 0.662 20 0 GCADHN C[C@@H]1C[C@H]1c1ccc(CNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)o1 ZINC000581538579 1185748832 /nfs/dbraw/zinc/74/88/32/1185748832.db2.gz VYQCUMPZUMZSDR-IVMMDQJWSA-N 0 3 386.456 0.933 20 0 GCADHN C[C@]1(NC(=O)Cn2cc(S(N)(=O)=O)cn2)CCN(Cc2ccccc2)C1 ZINC000581555392 1185759582 /nfs/dbraw/zinc/75/95/82/1185759582.db2.gz RCQZSMGKBYVPKJ-KRWDZBQOSA-N 0 3 377.470 0.311 20 0 GCADHN CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OCC ZINC000581559611 1185761463 /nfs/dbraw/zinc/76/14/63/1185761463.db2.gz GFLYBYQHGUXUDN-GJZGRUSLSA-N 0 3 376.457 0.666 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)c4c[nH]cn4)C[C@H]32)O1 ZINC001022020383 1185775689 /nfs/dbraw/zinc/77/56/89/1185775689.db2.gz KMKIQVWUVOEHQQ-QKPAOTATSA-N 0 3 389.500 0.466 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC000581591513 1185776640 /nfs/dbraw/zinc/77/66/40/1185776640.db2.gz LGVAZOHKRRFGSB-HOTGVXAUSA-N 0 3 377.489 0.089 20 0 GCADHN CCN(C(=O)CN1C[C@@H](c2cccc(F)c2)[C@H](N)C1)[C@H]1CCS(=O)(=O)C1 ZINC000581598484 1185781117 /nfs/dbraw/zinc/78/11/17/1185781117.db2.gz OMCHQMNDCZZRBM-YESZJQIVSA-N 0 3 383.489 0.588 20 0 GCADHN NC(=O)c1ccc(OCC(F)F)c(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000581618682 1185789266 /nfs/dbraw/zinc/78/92/66/1185789266.db2.gz LDLULQNRXKVFAK-MNOVXSKESA-N 0 3 397.382 0.205 20 0 GCADHN NC(=O)c1ccc(OCC(F)F)c(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000581618681 1185789385 /nfs/dbraw/zinc/78/93/85/1185789385.db2.gz LDLULQNRXKVFAK-GHMZBOCLSA-N 0 3 397.382 0.205 20 0 GCADHN CC(C)(C)CCN1CCN(C(=O)NC[C@]23COCCN2C(=O)COC3)CC1 ZINC001687345306 1185794055 /nfs/dbraw/zinc/79/40/55/1185794055.db2.gz QWBUIHIGAZAKHE-LJQANCHMSA-N 0 3 382.505 0.378 20 0 GCADHN CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000581629101 1185794896 /nfs/dbraw/zinc/79/48/96/1185794896.db2.gz FPRPNWUFBDPLBL-IRXDYDNUSA-N 0 3 394.516 0.073 20 0 GCADHN CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000276406552 1185799469 /nfs/dbraw/zinc/79/94/69/1185799469.db2.gz DSLZSJXVMXHGAA-HNNXBMFYSA-N 0 3 389.500 0.750 20 0 GCADHN O=C(C(=O)N1CCN(c2ccc(F)cn2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000581653032 1185812077 /nfs/dbraw/zinc/81/20/77/1185812077.db2.gz AZNRTFCWTPUVSV-QGZVFWFLSA-N 0 3 389.475 0.956 20 0 GCADHN Cc1ccn2cc(CNC(=O)C(=O)NCCCCN3CCN(C)CC3)nc2c1 ZINC000581681261 1185839566 /nfs/dbraw/zinc/83/95/66/1185839566.db2.gz HIXIQFJXICRKFM-UHFFFAOYSA-N 0 3 386.500 0.403 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)NC2CCN(CCOC)CC2)C1=O ZINC000276505236 1185847951 /nfs/dbraw/zinc/84/79/51/1185847951.db2.gz CKCXZSOFIOLKAG-MRXNPFEDSA-N 0 3 392.504 0.808 20 0 GCADHN CO[C@H]1CC[C@H](NC(=O)C(=O)N(C)C2CCN(CCn3cccn3)CC2)C1 ZINC000581692755 1185850152 /nfs/dbraw/zinc/85/01/52/1185850152.db2.gz PILZJZMDHNAYMY-RDJZCZTQSA-N 0 3 377.489 0.490 20 0 GCADHN COc1ccccc1N1CC[C@H](N2CCC[C@H](C(=O)N3CCNCC3)C2)C1=O ZINC000430642395 1185854657 /nfs/dbraw/zinc/85/46/57/1185854657.db2.gz KECOPALFPDDIKA-WMZOPIPTSA-N 0 3 386.496 0.944 20 0 GCADHN COC1CCN(S(=O)(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000656875665 1185854829 /nfs/dbraw/zinc/85/48/29/1185854829.db2.gz ATZWBTXHTVGJIN-UHFFFAOYSA-N 0 3 396.557 0.879 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCCc2ccccc2N2CCOCC2)CC1=O ZINC000581731578 1185871926 /nfs/dbraw/zinc/87/19/26/1185871926.db2.gz GPHDZSLOBXATIA-SFHVURJKSA-N 0 3 388.512 0.592 20 0 GCADHN CO[C@H](C)CCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000559025896 1185872513 /nfs/dbraw/zinc/87/25/13/1185872513.db2.gz IFPMJTDDMKJNHV-CQSZACIVSA-N 0 3 390.484 0.864 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(-c4ccncc4)cc3)CCN2C1=O ZINC000581737546 1185873369 /nfs/dbraw/zinc/87/33/69/1185873369.db2.gz KLZVATDQLUBCTC-MSOLQXFVSA-N 0 3 393.447 0.135 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(-c4ccncc4)cc3)CCN2C1=O ZINC000581737549 1185873919 /nfs/dbraw/zinc/87/39/19/1185873919.db2.gz KLZVATDQLUBCTC-ZWKOTPCHSA-N 0 3 393.447 0.135 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N3CCOC4(CCCC4)C3)C2)CC1 ZINC000581772015 1185890533 /nfs/dbraw/zinc/89/05/33/1185890533.db2.gz VYQSUFGOESYZNU-GOSISDBHSA-N 0 3 392.544 0.785 20 0 GCADHN COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000276562346 1185901497 /nfs/dbraw/zinc/90/14/97/1185901497.db2.gz HLMGQEVZFZPXJO-RTBURBONSA-N 0 3 389.496 0.638 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CO)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000293006396 1185904887 /nfs/dbraw/zinc/90/48/87/1185904887.db2.gz DEUSKRKTFCNYBC-SOUVJXGZSA-N 0 3 383.514 0.994 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)CN3CCNC(=O)C3)CC2)c1 ZINC000051261083 1185920790 /nfs/dbraw/zinc/92/07/90/1185920790.db2.gz PKGLMLQURNDODU-UHFFFAOYSA-N 0 3 387.528 0.445 20 0 GCADHN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430665373 1185927662 /nfs/dbraw/zinc/92/76/62/1185927662.db2.gz MQBBUFZYKLKVLB-HOCLYGCPSA-N 0 3 387.484 0.256 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2c2nccs2)CC1 ZINC000152498459 1185940857 /nfs/dbraw/zinc/94/08/57/1185940857.db2.gz WJARGMXWUFRCRH-GJZGRUSLSA-N 0 3 377.514 0.877 20 0 GCADHN CN1CCN(C)CCN(C(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000891608659 1185941692 /nfs/dbraw/zinc/94/16/92/1185941692.db2.gz WUSIUUKHUBVCOG-UHFFFAOYSA-N 0 3 389.544 0.908 20 0 GCADHN COc1ccc2nccc(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)c2c1 ZINC000891615506 1185942184 /nfs/dbraw/zinc/94/21/84/1185942184.db2.gz UWWPOBNXWBKRAP-UHFFFAOYSA-N 0 3 384.436 0.751 20 0 GCADHN Cc1cnn(-c2c(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)c(C)nn2C)c1 ZINC000548312313 1185960897 /nfs/dbraw/zinc/96/08/97/1185960897.db2.gz WPUHYYLAIITMET-MRXNPFEDSA-N 0 3 399.499 0.601 20 0 GCADHN CC(C)N1CCN(c2cc(C(N)=O)nc(N3CCN(C(C)C)CC3)n2)CC1 ZINC000891723481 1185995229 /nfs/dbraw/zinc/99/52/29/1185995229.db2.gz BKGILOGFSGTLKW-UHFFFAOYSA-N 0 3 375.521 0.636 20 0 GCADHN CN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)C1(CO)CCOCC1 ZINC000276729785 1185997832 /nfs/dbraw/zinc/99/78/32/1185997832.db2.gz DCZSXDBBBNTRCQ-UHFFFAOYSA-N 0 3 390.484 0.836 20 0 GCADHN COC[C@H](O)CNC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000276732257 1186001329 /nfs/dbraw/zinc/00/13/29/1186001329.db2.gz BURXXHNDCMFHKB-GOSISDBHSA-N 0 3 392.500 0.587 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1noc(Cc2ccccc2)n1 ZINC000581955408 1186005940 /nfs/dbraw/zinc/00/59/40/1186005940.db2.gz HJDMXOZVCIRLIS-QEJZJMRPSA-N 0 3 384.440 0.675 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000430771219 1186027435 /nfs/dbraw/zinc/02/74/35/1186027435.db2.gz CBDXAPHAIOXPCD-KRWDZBQOSA-N 0 3 380.533 0.548 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000471870483 1186040400 /nfs/dbraw/zinc/04/04/00/1186040400.db2.gz JRLLQMDEPULTGK-BZSNNMDCSA-N 0 3 396.511 0.743 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)nc1 ZINC000276773264 1186041019 /nfs/dbraw/zinc/04/10/19/1186041019.db2.gz IBKYNAICLTWXBR-CYBMUJFWSA-N 0 3 384.506 0.137 20 0 GCADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C3CCCC3)CC2)cn1C ZINC000510694151 1186057966 /nfs/dbraw/zinc/05/79/66/1186057966.db2.gz GDTDYBQSNLYIJZ-UHFFFAOYSA-N 0 3 383.518 0.484 20 0 GCADHN CN(C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[C@H]1CCCN(C)C1 ZINC000891823152 1186065958 /nfs/dbraw/zinc/06/59/58/1186065958.db2.gz LAVSHHLIDBBQJR-KRWDZBQOSA-N 0 3 387.484 0.494 20 0 GCADHN O=C(NCc1ccnc(N2CCOCC2)c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000891829656 1186069543 /nfs/dbraw/zinc/06/95/43/1186069543.db2.gz OVVRRSAXDPACOT-QZTJIDSGSA-N 0 3 389.500 0.659 20 0 GCADHN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@H]1CO ZINC000276808360 1186082283 /nfs/dbraw/zinc/08/22/83/1186082283.db2.gz SLNIIGYIKDIQLO-CABCVRRESA-N 0 3 399.488 0.219 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000510748578 1186099092 /nfs/dbraw/zinc/09/90/92/1186099092.db2.gz QEPUMLMFYQWGSN-GJZGRUSLSA-N 0 3 389.518 0.238 20 0 GCADHN COc1ccccc1CCNC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510765766 1186104010 /nfs/dbraw/zinc/10/40/10/1186104010.db2.gz PDZQPOPAGSRDLQ-CVEARBPZSA-N 0 3 383.514 0.804 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510776206 1186109363 /nfs/dbraw/zinc/10/93/63/1186109363.db2.gz HECXIRLWWMRNHO-ZNMIVQPWSA-N 0 3 389.518 0.381 20 0 GCADHN C[C@H](NC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[C@H](c1ccccc1)N(C)C ZINC000548432579 1186110171 /nfs/dbraw/zinc/11/01/71/1186110171.db2.gz OTUTYATYHLIOSA-SUMWQHHRSA-N 0 3 397.479 0.997 20 0 GCADHN COc1cc2c(cc1OC)CN(CCNC(=O)CNC[C@@H]1CCCO1)CC2 ZINC000431057227 1186114459 /nfs/dbraw/zinc/11/44/59/1186114459.db2.gz NSEAEXHEODPOEF-KRWDZBQOSA-N 0 3 377.485 0.947 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2csc(-c3nc[nH]n3)n2)CC1 ZINC000510802277 1186114990 /nfs/dbraw/zinc/11/49/90/1186114990.db2.gz FHLNVRINVWAZNH-UHFFFAOYSA-N 0 3 378.458 0.933 20 0 GCADHN C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C2 ZINC000891880251 1186121038 /nfs/dbraw/zinc/12/10/38/1186121038.db2.gz FUJWVKYJEQOGHF-MEDUHNTESA-N 0 3 388.440 0.494 20 0 GCADHN COCCN(C(=O)CN[C@@H]1CCOC12CCCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000933879789 1186133683 /nfs/dbraw/zinc/13/36/83/1186133683.db2.gz SSCILMWYQUFHTD-HZPDHXFCSA-N 0 3 388.530 0.730 20 0 GCADHN COCCOc1ncccc1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891913417 1186155730 /nfs/dbraw/zinc/15/57/30/1186155730.db2.gz WXEBEFOLPBJBTF-SJORKVTESA-N 0 3 378.473 0.847 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)NCC2(S(=O)(=O)N(C)C)CC2)c1 ZINC000891916594 1186157956 /nfs/dbraw/zinc/15/79/56/1186157956.db2.gz CSWSHPZSOMSSJO-UHFFFAOYSA-N 0 3 382.486 0.227 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCC(=O)N1CCCCCCC1 ZINC001266956963 1186161825 /nfs/dbraw/zinc/16/18/25/1186161825.db2.gz VZIFBDSIYBZCJO-LSTDLKDCSA-N 0 3 381.517 0.925 20 0 GCADHN CCN1CCN(Cc2ccc(CNS(=O)(=O)c3cnnn3C)cc2)CC1 ZINC000684567874 1186162171 /nfs/dbraw/zinc/16/21/71/1186162171.db2.gz LDEWRTKCMCHHTM-UHFFFAOYSA-N 0 3 378.502 0.431 20 0 GCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000891925922 1186163149 /nfs/dbraw/zinc/16/31/49/1186163149.db2.gz KPOWAVLZRMFFHK-DLBZAZTESA-N 0 3 380.514 0.984 20 0 GCADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000891925926 1186163464 /nfs/dbraw/zinc/16/34/64/1186163464.db2.gz KPOWAVLZRMFFHK-IRXDYDNUSA-N 0 3 380.514 0.984 20 0 GCADHN COC(=O)c1ccc(CN(CCNC(=O)CN(C)C)C(=O)CN(C)C)cc1 ZINC000276943886 1186168580 /nfs/dbraw/zinc/16/85/80/1186168580.db2.gz PVLHOKMHWBWSBQ-UHFFFAOYSA-N 0 3 378.473 0.041 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCC(N)=O)cc(N2CCN(C(C)C)CC2)c1 ZINC000276949956 1186172527 /nfs/dbraw/zinc/17/25/27/1186172527.db2.gz KWHSUHHMWIDZEZ-UHFFFAOYSA-N 0 3 375.473 0.456 20 0 GCADHN Cn1cc(N2CCC[C@H](N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001022452749 1186174671 /nfs/dbraw/zinc/17/46/71/1186174671.db2.gz QJEVTWYFXRBMOR-SYIKNJILSA-N 0 3 399.495 0.576 20 0 GCADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000933950901 1186177525 /nfs/dbraw/zinc/17/75/25/1186177525.db2.gz XWQDPHKPNUXWOC-DOTOQJQBSA-N 0 3 385.472 0.301 20 0 GCADHN C[C@H](NC1(CNS(=O)(=O)c2cnnn2C)CCOCC1)c1ccccc1 ZINC000684577242 1186177633 /nfs/dbraw/zinc/17/76/33/1186177633.db2.gz OGEWDSRDWRHBOH-AWEZNQCLSA-N 0 3 379.486 0.993 20 0 GCADHN CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000564471185 1186177757 /nfs/dbraw/zinc/17/77/57/1186177757.db2.gz NSSMSBWQUJADNQ-HUUCEWRRSA-N 0 3 395.485 0.614 20 0 GCADHN Cn1cc(N2CC[C@H](N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001022455222 1186178890 /nfs/dbraw/zinc/17/88/90/1186178890.db2.gz MCJGQEUBLAGCON-HHTZNSCDSA-N 0 3 385.468 0.186 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCC3=CCCOC3)ccc2oc1=O ZINC000510940536 1186188121 /nfs/dbraw/zinc/18/81/21/1186188121.db2.gz AAUDPNNEWNJNTL-UHFFFAOYSA-N 0 3 388.424 0.558 20 0 GCADHN O=C(Cc1cccc(F)c1)NCCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458097028 1186200972 /nfs/dbraw/zinc/20/09/72/1186200972.db2.gz CERPAQKJNBQLMF-KRWDZBQOSA-N 0 3 380.464 0.630 20 0 GCADHN C[C@@H]1CN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC[C@@H]1N1CCN(C)CC1 ZINC000535731620 1186207688 /nfs/dbraw/zinc/20/76/88/1186207688.db2.gz AOHCHFVFIDFKSL-WBVHZDCISA-N 0 3 390.532 0.991 20 0 GCADHN COc1cccc(N2C[C@H](NC(=O)NC[C@H]3CCCCN3CCO)CC2=O)c1 ZINC000458188006 1186212700 /nfs/dbraw/zinc/21/27/00/1186212700.db2.gz HQLAJXCIUWKSKA-NVXWUHKLSA-N 0 3 390.484 0.947 20 0 GCADHN COc1cccc(N2C[C@@H](NC(=O)NC[C@H]3CCCCN3CCO)CC2=O)c1 ZINC000458188000 1186213188 /nfs/dbraw/zinc/21/31/88/1186213188.db2.gz HQLAJXCIUWKSKA-DOTOQJQBSA-N 0 3 390.484 0.947 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H](C)N1CCO ZINC000458215415 1186216856 /nfs/dbraw/zinc/21/68/56/1186216856.db2.gz KPBPBERRORWQOU-BBWFWOEESA-N 0 3 383.537 0.026 20 0 GCADHN COCCN1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1=O ZINC000535795495 1186216931 /nfs/dbraw/zinc/21/69/31/1186216931.db2.gz GCHXLMNFRYOKRD-UHFFFAOYSA-N 0 3 392.456 0.013 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000563089257 1186223135 /nfs/dbraw/zinc/22/31/35/1186223135.db2.gz RHEXRQYBHVADHK-KRWDZBQOSA-N 0 3 391.493 0.486 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)NN1CCCNC1=O ZINC000277007493 1186228012 /nfs/dbraw/zinc/22/80/12/1186228012.db2.gz MDYPHQOJYCUSJF-UHFFFAOYSA-N 0 3 391.497 0.663 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000277017809 1186231587 /nfs/dbraw/zinc/23/15/87/1186231587.db2.gz CQRBCWYMQXVLFD-UHFFFAOYSA-N 0 3 397.545 0.736 20 0 GCADHN Cn1cccc(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1=O ZINC000277097378 1186238999 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ZINC000684633811 1186277468 /nfs/dbraw/zinc/27/74/68/1186277468.db2.gz WAGDBHQBWBNYGX-HNNXBMFYSA-N 0 3 388.468 0.659 20 0 GCADHN CCN1CCN(CCCNC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000097598370 1186281541 /nfs/dbraw/zinc/28/15/41/1186281541.db2.gz SRKYMTVGXINCEI-SFHVURJKSA-N 0 3 386.496 0.649 20 0 GCADHN COC(=O)c1c(C)cccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000611016956 1186281605 /nfs/dbraw/zinc/28/16/05/1186281605.db2.gz XUMGSABFLVARLZ-CQSZACIVSA-N 0 3 397.497 0.647 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)CC1 ZINC000151447942 1186286727 /nfs/dbraw/zinc/28/67/27/1186286727.db2.gz CKGOOWZKTUEAFG-WBVHZDCISA-N 0 3 379.505 0.986 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)CC1 ZINC000151448072 1186286758 /nfs/dbraw/zinc/28/67/58/1186286758.db2.gz CKGOOWZKTUEAFG-RDJZCZTQSA-N 0 3 379.505 0.986 20 0 GCADHN CCOC(=O)[C@H]1NC(=O)N(Cc2ccccc2CN2CCC(O)CC2)C1=O ZINC000277218040 1186296951 /nfs/dbraw/zinc/29/69/51/1186296951.db2.gz LEYFATKNKSTJBN-INIZCTEOSA-N 0 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INQHCKZEEAPATL-MRXNPFEDSA-N 0 3 382.530 0.200 20 0 GCADHN CCOC(=O)[C@@H]1NC(=O)N(Cc2ccccc2CN2CCN(CC)CC2)C1=O ZINC000277382716 1186357106 /nfs/dbraw/zinc/35/71/06/1186357106.db2.gz PBFMJCJCUVBMBY-QGZVFWFLSA-N 0 3 388.468 0.808 20 0 GCADHN CCOC(=O)[C@H]1NC(=O)N(Cc2ccccc2CN2CCN(CC)CC2)C1=O ZINC000277382710 1186357407 /nfs/dbraw/zinc/35/74/07/1186357407.db2.gz PBFMJCJCUVBMBY-KRWDZBQOSA-N 0 3 388.468 0.808 20 0 GCADHN CN(CCN1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)Cc1ccccc1 ZINC000105062465 1186358024 /nfs/dbraw/zinc/35/80/24/1186358024.db2.gz TVHIDLMPYONVPJ-GOSISDBHSA-N 0 3 394.541 0.633 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@@H]2CCCC[C@@H]21 ZINC000582021395 1186372774 /nfs/dbraw/zinc/37/27/74/1186372774.db2.gz JIQLCGZDXAJBNI-GUDVDZBRSA-N 0 3 394.560 0.530 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@H]2CCCC[C@H]12 ZINC000582021396 1186372942 /nfs/dbraw/zinc/37/29/42/1186372942.db2.gz JIQLCGZDXAJBNI-QRVBRYPASA-N 0 3 394.560 0.530 20 0 GCADHN COCCOc1ccc(CNC(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000934261215 1186388956 /nfs/dbraw/zinc/38/89/56/1186388956.db2.gz PVEWWLRRRQANBM-WOJBJXKFSA-N 0 3 391.512 0.859 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](c3nc[nH]n3)C2)c1 ZINC000582058767 1186389353 /nfs/dbraw/zinc/38/93/53/1186389353.db2.gz BGEZBOGBWSLIGR-GFCCVEGCSA-N 0 3 378.458 0.483 20 0 GCADHN COCCOc1cccc(CNC(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000934262700 1186389652 /nfs/dbraw/zinc/38/96/52/1186389652.db2.gz YQUSYDBRURGOAE-PMACEKPBSA-N 0 3 391.512 0.859 20 0 GCADHN CS(=O)(=O)N1CC[C@H](NCc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000582067305 1186392021 /nfs/dbraw/zinc/39/20/21/1186392021.db2.gz NXCRBEPTBMBFGE-AWEZNQCLSA-N 0 3 378.454 0.971 20 0 GCADHN CCOC(=O)Cc1csc(NC(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)n1 ZINC000934264136 1186392540 /nfs/dbraw/zinc/39/25/40/1186392540.db2.gz GCIWCLWDSRFINW-CABCVRRESA-N 0 3 396.513 0.718 20 0 GCADHN CN1C(=O)c2ccc(NC(=O)CN3CC[C@@H]4[C@H]3CCCN4CCO)cc2C1=O ZINC000934265866 1186394012 /nfs/dbraw/zinc/39/40/12/1186394012.db2.gz XNJDYHZHSJQQIK-IAGOWNOFSA-N 0 3 386.452 0.382 20 0 GCADHN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582074078 1186396881 /nfs/dbraw/zinc/39/68/81/1186396881.db2.gz ZMXKHWAUHLESIT-OUCADQQQSA-N 0 3 394.497 0.804 20 0 GCADHN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582074079 1186397455 /nfs/dbraw/zinc/39/74/55/1186397455.db2.gz ZMXKHWAUHLESIT-SCRDCRAPSA-N 0 3 394.497 0.804 20 0 GCADHN O=C(CN[C@@H](C1CC1)[C@]1(CO)CCCO1)NCCOc1ccc2c(c1)OCO2 ZINC000559467485 1186398495 /nfs/dbraw/zinc/39/84/95/1186398495.db2.gz HQSUKLBQENWECE-VQTJNVASSA-N 0 3 392.452 0.820 20 0 GCADHN CC(=O)N[C@H](C)C1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000582090979 1186406973 /nfs/dbraw/zinc/40/69/73/1186406973.db2.gz WEZFHWXOXFHFMB-PBHICJAKSA-N 0 3 380.533 0.986 20 0 GCADHN C[C@@H]1CSCCCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000934303343 1186425158 /nfs/dbraw/zinc/42/51/58/1186425158.db2.gz SSJMXBKSMIAAMP-CQSZACIVSA-N 0 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ZINC000277511851 1186457797 /nfs/dbraw/zinc/45/77/97/1186457797.db2.gz QNYQTHRAVUSZGJ-SFHVURJKSA-N 0 3 389.500 0.009 20 0 GCADHN Cc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000277517179 1186467452 /nfs/dbraw/zinc/46/74/52/1186467452.db2.gz LKMMCZLLBXQLPN-CQSZACIVSA-N 0 3 385.468 0.687 20 0 GCADHN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)C2)n1 ZINC000582227444 1186470037 /nfs/dbraw/zinc/47/00/37/1186470037.db2.gz BKMFWHJPBMTTFC-KURKYZTESA-N 0 3 388.516 0.829 20 0 GCADHN COC(=O)[C@H](C)Sc1ccccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582252567 1186478396 /nfs/dbraw/zinc/47/83/96/1186478396.db2.gz KYNNVRGMKAPMNI-OBJOEFQTSA-N 0 3 377.466 0.724 20 0 GCADHN COC(=O)[C@H](C)Sc1ccccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582252569 1186478468 /nfs/dbraw/zinc/47/84/68/1186478468.db2.gz KYNNVRGMKAPMNI-SCRDCRAPSA-N 0 3 377.466 0.724 20 0 GCADHN CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](N)CC(=O)OC)cc2)CC1 ZINC000582300047 1186490412 /nfs/dbraw/zinc/49/04/12/1186490412.db2.gz YFDSOZKHLITJLK-INIZCTEOSA-N 0 3 376.457 0.222 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCc2cccc(S(=O)(=O)N(C)C)c2)C[C@H](C)O1 ZINC000582297033 1186490977 /nfs/dbraw/zinc/49/09/77/1186490977.db2.gz JOIIEOQQRAZWEV-HLLBOEOZSA-N 0 3 385.530 0.497 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000582311995 1186493420 /nfs/dbraw/zinc/49/34/20/1186493420.db2.gz GCSXXAQFTQVHKK-QWHCGFSZSA-N 0 3 384.358 0.206 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)CCC2CCCC2)CC1 ZINC000152394067 1186495402 /nfs/dbraw/zinc/49/54/02/1186495402.db2.gz JWUJJTVPLKEEAW-QGZVFWFLSA-N 0 3 378.517 0.838 20 0 GCADHN COCCN1C[C@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1=O ZINC000277556570 1186501488 /nfs/dbraw/zinc/50/14/88/1186501488.db2.gz WELCCMHBJBHBIE-MOPGFXCFSA-N 0 3 389.496 0.889 20 0 GCADHN COCCN1C[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1=O ZINC000277556576 1186501729 /nfs/dbraw/zinc/50/17/29/1186501729.db2.gz WELCCMHBJBHBIE-RTBURBONSA-N 0 3 389.496 0.889 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCCCCN1CCN(C)CC1)N(C)c1ccccc1 ZINC000582374401 1186506872 /nfs/dbraw/zinc/50/68/72/1186506872.db2.gz OBAOAHBOJCSEQE-SFHVURJKSA-N 0 3 389.544 0.771 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)CCN2C1=O ZINC000582371737 1186507227 /nfs/dbraw/zinc/50/72/27/1186507227.db2.gz KUQYHVRGULISTF-QMTHXVAHSA-N 0 3 399.278 0.423 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccnc(OCC(F)(F)F)c3)CCN2C1=O ZINC000582372005 1186507378 /nfs/dbraw/zinc/50/73/78/1186507378.db2.gz UEYLTPMIVSSYAC-NEPJUHHUSA-N 0 3 387.362 0.476 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000582412076 1186524863 /nfs/dbraw/zinc/52/48/63/1186524863.db2.gz MTNAMZSTZBSEEB-BZUAXINKSA-N 0 3 381.517 0.922 20 0 GCADHN COc1ncc(NC(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)cc1C(N)=O ZINC000582431658 1186531022 /nfs/dbraw/zinc/53/10/22/1186531022.db2.gz MJMYUUKGMIHFSD-GFCCVEGCSA-N 0 3 377.445 0.364 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)NCCn2ccc(C(F)(F)F)n2)CC1 ZINC000634822496 1186535385 /nfs/dbraw/zinc/53/53/85/1186535385.db2.gz XMYWKRNUIIDNER-UHFFFAOYSA-N 0 3 375.395 0.961 20 0 GCADHN O=C(CCN1CCN(C(=O)CN2CCCC2)CC1)NCC(=O)c1ccccc1 ZINC000511133363 1186544114 /nfs/dbraw/zinc/54/41/14/1186544114.db2.gz YWPLYSOTHNTIQZ-UHFFFAOYSA-N 0 3 386.496 0.616 20 0 GCADHN O=C(CCOc1ccccc1)N1CCC(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000582481178 1186547133 /nfs/dbraw/zinc/54/71/33/1186547133.db2.gz GFBRHQXOAJINPU-GOSISDBHSA-N 0 3 375.469 0.799 20 0 GCADHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000329062079 1186547508 /nfs/dbraw/zinc/54/75/08/1186547508.db2.gz ZLHNGBKRZKFGGW-SJLPKXTDSA-N 0 3 389.500 0.747 20 0 GCADHN COc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)ccn1 ZINC001087211984 1186548203 /nfs/dbraw/zinc/54/82/03/1186548203.db2.gz JHMOSPWYUWPTPA-BSWAZPDLSA-N 0 3 390.484 0.840 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2c3ccccc3n(C)c2=O)CC1 ZINC000152592806 1186549929 /nfs/dbraw/zinc/54/99/29/1186549929.db2.gz JXBMQSWEJZVJEU-KRWDZBQOSA-N 0 3 385.468 0.105 20 0 GCADHN Cc1ccn2c(c1)ncc(C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)c2=O ZINC000152632308 1186555749 /nfs/dbraw/zinc/55/57/49/1186555749.db2.gz RNOQMYLHQCSGDZ-MRXNPFEDSA-N 0 3 383.452 0.382 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1=O ZINC000582544846 1186561344 /nfs/dbraw/zinc/56/13/44/1186561344.db2.gz WAHNQPAPXZIPNC-CQSZACIVSA-N 0 3 389.456 0.188 20 0 GCADHN CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN(C)CCOC)CCO1 ZINC001709370413 1186563114 /nfs/dbraw/zinc/56/31/14/1186563114.db2.gz IUSOUEHEUFWPNZ-INIZCTEOSA-N 0 3 394.520 0.594 20 0 GCADHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582556899 1186565336 /nfs/dbraw/zinc/56/53/36/1186565336.db2.gz IJGXLFNTGNSCMF-BIMULSAOSA-N 0 3 387.406 0.936 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)c1nnnn1-c1ccccc1 ZINC000582565044 1186568340 /nfs/dbraw/zinc/56/83/40/1186568340.db2.gz DQJIVIXFKUNBCJ-ZBFHGGJFSA-N 0 3 383.456 0.536 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)c1nnnn1-c1ccccc1 ZINC000582565041 1186568493 /nfs/dbraw/zinc/56/84/93/1186568493.db2.gz DQJIVIXFKUNBCJ-GDBMZVCRSA-N 0 3 383.456 0.536 20 0 GCADHN C[C@]1(C2CCN(CCC(=O)NCC(=O)c3ccccc3)CC2)NC(=O)NC1=O ZINC000511163175 1186569209 /nfs/dbraw/zinc/56/92/09/1186569209.db2.gz VGJILTVLHAIESW-HXUWFJFHSA-N 0 3 386.452 0.686 20 0 GCADHN CCOC(=O)c1cc(NC(=O)N2CCN(C)C[C@H]2CN)cc(S(C)(=O)=O)c1 ZINC000582593847 1186578160 /nfs/dbraw/zinc/57/81/60/1186578160.db2.gz NKFNYXSQEGZWTF-CQSZACIVSA-N 0 3 398.485 0.373 20 0 GCADHN CCn1c2ccccc2n(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1=O ZINC000152881223 1186585684 /nfs/dbraw/zinc/58/56/84/1186585684.db2.gz BSIMPHZWGQDXKA-SFHVURJKSA-N 0 3 399.495 0.588 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ccc(Cl)c(N4CCNC4=O)c3)CCN2C1=O ZINC000582618379 1186587592 /nfs/dbraw/zinc/58/75/92/1186587592.db2.gz ZMHXHVRFMWQARJ-DGCLKSJQSA-N 0 3 392.847 0.645 20 0 GCADHN CN(C)[C@@H](CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)Cc1ccccc1 ZINC000611667277 1186590148 /nfs/dbraw/zinc/59/01/48/1186590148.db2.gz YHHNXDSNDRNQOA-DLBZAZTESA-N 0 3 382.530 0.883 20 0 GCADHN CCc1nn(C)c(CC)c1CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611675320 1186594965 /nfs/dbraw/zinc/59/49/65/1186594965.db2.gz YHGFSMHEHRDFFV-OAHLLOKOSA-N 0 3 391.516 0.531 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000611678928 1186597815 /nfs/dbraw/zinc/59/78/15/1186597815.db2.gz UPDYDZWHNOEALE-IRXDYDNUSA-N 0 3 380.514 0.984 20 0 GCADHN CCOC(=O)c1ccc(N2CC(NC[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)C2)nc1 ZINC000582661975 1186602973 /nfs/dbraw/zinc/60/29/73/1186602973.db2.gz QFUXLEISNLBFJF-MPGHIAIKSA-N 0 3 392.500 0.507 20 0 GCADHN CCNC(=O)N1CCc2ccc(NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc21 ZINC000582676983 1186607036 /nfs/dbraw/zinc/60/70/36/1186607036.db2.gz JMJBZVWKQCGHNU-LSDHHAIUSA-N 0 3 386.456 0.554 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc(OCC(F)(F)C(F)F)nc3)CCN2C1=O ZINC000563439414 1186614345 /nfs/dbraw/zinc/61/43/45/1186614345.db2.gz GFBNUOOCVOYQEZ-MNOVXSKESA-N 0 3 390.337 0.745 20 0 GCADHN CCc1ccnc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000511182559 1186614436 /nfs/dbraw/zinc/61/44/36/1186614436.db2.gz LKAUMNVFAIZZAR-UHFFFAOYSA-N 0 3 387.484 0.027 20 0 GCADHN C[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(C)CC1 ZINC000892282498 1186615217 /nfs/dbraw/zinc/61/52/17/1186615217.db2.gz UBPYSWKTTQKLAO-INIZCTEOSA-N 0 3 382.530 0.755 20 0 GCADHN COCCOC1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000116994553 1186615936 /nfs/dbraw/zinc/61/59/36/1186615936.db2.gz BJANJSGRYDCCAB-INIZCTEOSA-N 0 3 377.441 0.992 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000153073615 1186618853 /nfs/dbraw/zinc/61/88/53/1186618853.db2.gz KQVXFCJPYDJKTN-QGZVFWFLSA-N 0 3 386.500 0.458 20 0 GCADHN CC(C)c1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@H]32)n[nH]1 ZINC001022814066 1186621833 /nfs/dbraw/zinc/62/18/33/1186621833.db2.gz TUGQMGWCKBOAES-LTCOOKNTSA-N 0 3 389.500 0.925 20 0 GCADHN COc1ccccc1N1C[C@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CC1=O ZINC000582719903 1186623874 /nfs/dbraw/zinc/62/38/74/1186623874.db2.gz HLPVMYATMWSWAQ-ZBFHGGJFSA-N 0 3 398.467 0.962 20 0 GCADHN C[C@@H](CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000074612775 1186625257 /nfs/dbraw/zinc/62/52/57/1186625257.db2.gz WNYOAGNRHBAZPU-IRXDYDNUSA-N 0 3 377.537 0.572 20 0 GCADHN O=C(NCCCN1CCOCC1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000153130269 1186626483 /nfs/dbraw/zinc/62/64/83/1186626483.db2.gz RTEKGVJGLBGTNU-RTBURBONSA-N 0 3 376.501 0.643 20 0 GCADHN Cc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2)cc1 ZINC000153145254 1186627882 /nfs/dbraw/zinc/62/78/82/1186627882.db2.gz IEIANYYZWFDTDM-QGZVFWFLSA-N 0 3 397.483 0.414 20 0 GCADHN COCCN(C)CCNC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C ZINC000588934503 1186631355 /nfs/dbraw/zinc/63/13/55/1186631355.db2.gz NYOKRMAKKAUXRN-INIZCTEOSA-N 0 3 389.493 0.823 20 0 GCADHN Cc1ccc(C)c(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000077848429 1186655246 /nfs/dbraw/zinc/65/52/46/1186655246.db2.gz SJECGVREPJBQRU-UHFFFAOYSA-N 0 3 376.501 0.748 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)CC1=O ZINC000560586462 1186661591 /nfs/dbraw/zinc/66/15/91/1186661591.db2.gz GSPYHXOTGSDAJY-OAHLLOKOSA-N 0 3 386.456 0.381 20 0 GCADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000657607289 1186662642 /nfs/dbraw/zinc/66/26/42/1186662642.db2.gz YKJIEVVKXDPVPB-SMELUJQZSA-N 0 3 392.477 0.995 20 0 GCADHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000582767253 1186664269 /nfs/dbraw/zinc/66/42/69/1186664269.db2.gz YYSNFMOXOCBTKR-WMZOPIPTSA-N 0 3 395.525 0.803 20 0 GCADHN CCc1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCN1CCN(C)C(C)(C)C1 ZINC001709058499 1186670153 /nfs/dbraw/zinc/67/01/53/1186670153.db2.gz YMPRDXATJJMWRT-OAHLLOKOSA-N 0 3 377.537 0.533 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCN1CCOC ZINC000560643761 1186674581 /nfs/dbraw/zinc/67/45/81/1186674581.db2.gz UZLVXXUWEFVUQF-ROUUACIJSA-N 0 3 380.533 0.642 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000657627734 1186676073 /nfs/dbraw/zinc/67/60/73/1186676073.db2.gz HAKGZOUGYVNOCO-UHFFFAOYSA-N 0 3 395.463 0.896 20 0 GCADHN CC(C)n1ncc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc21 ZINC000582797221 1186680394 /nfs/dbraw/zinc/68/03/94/1186680394.db2.gz JXNMXLMEXARFJN-HUUCEWRRSA-N 0 3 384.440 0.326 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000685031281 1186688372 /nfs/dbraw/zinc/68/83/72/1186688372.db2.gz IGPHLFWSNWZZNY-ZDUSSCGKSA-N 0 3 376.457 0.822 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)Cc1ccccc1 ZINC000048834428 1186706173 /nfs/dbraw/zinc/70/61/73/1186706173.db2.gz ZMQWTGZBQODHGY-GOSISDBHSA-N 0 3 393.451 0.890 20 0 GCADHN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611725764 1186707366 /nfs/dbraw/zinc/70/73/66/1186707366.db2.gz QCZJYCNGTCDECL-QBPKDAKJSA-N 0 3 377.485 0.430 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)cc2)CC1 ZINC000048845332 1186708568 /nfs/dbraw/zinc/70/85/68/1186708568.db2.gz RIHGIWLYHORJKD-KRWDZBQOSA-N 0 3 387.484 0.429 20 0 GCADHN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611725766 1186709887 /nfs/dbraw/zinc/70/98/87/1186709887.db2.gz QCZJYCNGTCDECL-VQHPVUNQSA-N 0 3 377.485 0.430 20 0 GCADHN C[C@H](CNC(=O)N1CC(N2CC[C@@H](O)C2)C1)N1CCN(c2ccccc2)CC1 ZINC000650662170 1186713048 /nfs/dbraw/zinc/71/30/48/1186713048.db2.gz BICVVVXYIDGCQZ-YLJYHZDGSA-N 0 3 387.528 0.658 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCN3c3ncnc4sccc43)CCN2C1=O ZINC000582857739 1186714365 /nfs/dbraw/zinc/71/43/65/1186714365.db2.gz YNNRXWGFBRJFAY-MRVWCRGKSA-N 0 3 386.481 0.431 20 0 GCADHN COC(=O)c1ccnc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000277953656 1186718941 /nfs/dbraw/zinc/71/89/41/1186718941.db2.gz CWPMJEKJWZWMEN-CQSZACIVSA-N 0 3 377.445 0.932 20 0 GCADHN O=C(NCc1ccccn1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000582893126 1186725443 /nfs/dbraw/zinc/72/54/43/1186725443.db2.gz BSUHNVIRGNXEHL-UHFFFAOYSA-N 0 3 382.464 0.971 20 0 GCADHN CCCNC(=O)C1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000582905261 1186727665 /nfs/dbraw/zinc/72/76/65/1186727665.db2.gz JSKXJDDPQPKMCP-SFHVURJKSA-N 0 3 386.496 0.836 20 0 GCADHN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc1 ZINC000582916389 1186729099 /nfs/dbraw/zinc/72/90/99/1186729099.db2.gz OWEDTGLFYBUKPK-ZBFHGGJFSA-N 0 3 395.529 0.637 20 0 GCADHN COCCCOc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000582915829 1186730031 /nfs/dbraw/zinc/73/00/31/1186730031.db2.gz PSCQHVCPWWQKIY-DOTOQJQBSA-N 0 3 376.457 0.555 20 0 GCADHN CN1CCN(CCCNC(=O)N2CCO[C@H](CO)C2)[C@H](c2ccccc2)C1 ZINC000078891362 1186733623 /nfs/dbraw/zinc/73/36/23/1186733623.db2.gz XJVQSDMDNADZRJ-OALUTQOASA-N 0 3 376.501 0.768 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000548780161 1186734436 /nfs/dbraw/zinc/73/44/36/1186734436.db2.gz PXAFBRGRFHSZIR-UHFFFAOYSA-N 0 3 376.501 0.762 20 0 GCADHN CC[C@@H](CNC(=O)CNS(=O)(=O)CCCOC)N1CCc2ccccc2C1 ZINC000431511617 1186739459 /nfs/dbraw/zinc/73/94/59/1186739459.db2.gz BLSBKQURDUDVJB-SFHVURJKSA-N 0 3 397.541 0.895 20 0 GCADHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582975633 1186740273 /nfs/dbraw/zinc/74/02/73/1186740273.db2.gz JGZZERICFDFYKX-JQWIXIFHSA-N 0 3 380.832 0.366 20 0 GCADHN O=S(=O)(c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)cc1)N1CCOCC1 ZINC000892319329 1186742669 /nfs/dbraw/zinc/74/26/69/1186742669.db2.gz LUINUNVFFXNCQE-RBUKOAKNSA-N 0 3 395.525 0.743 20 0 GCADHN O=S(=O)(c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1)N1CCOCC1 ZINC000892319330 1186742698 /nfs/dbraw/zinc/74/26/98/1186742698.db2.gz LUINUNVFFXNCQE-RTBURBONSA-N 0 3 395.525 0.743 20 0 GCADHN CCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000657715899 1186749601 /nfs/dbraw/zinc/74/96/01/1186749601.db2.gz OCADFVDMJOCWNE-IAGOWNOFSA-N 0 3 385.468 0.841 20 0 GCADHN Cc1cccc2c(=O)n(CC(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)cnc12 ZINC000152626993 1186752734 /nfs/dbraw/zinc/75/27/34/1186752734.db2.gz VMEXYCZAYXHWIY-QGZVFWFLSA-N 0 3 397.479 0.470 20 0 GCADHN O=C(C1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1)N1CCCC1 ZINC000025642624 1186754018 /nfs/dbraw/zinc/75/40/18/1186754018.db2.gz QELYZBUJHUGGLU-MRXNPFEDSA-N 0 3 385.464 0.978 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(C(C)C)c2)CC1 ZINC000583058692 1186759461 /nfs/dbraw/zinc/75/94/61/1186759461.db2.gz JWJKPOMSUAVAGJ-UHFFFAOYSA-N 0 3 378.477 0.415 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000278054900 1186760983 /nfs/dbraw/zinc/76/09/83/1186760983.db2.gz DTTFGADPROXYHH-SZVBFZGTSA-N 0 3 397.468 0.559 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C[C@@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000278054896 1186761105 /nfs/dbraw/zinc/76/11/05/1186761105.db2.gz DTTFGADPROXYHH-KVSKMBFKSA-N 0 3 397.468 0.559 20 0 GCADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@@H](C)C1 ZINC000583098260 1186770203 /nfs/dbraw/zinc/77/02/03/1186770203.db2.gz SGPVFRGBTYKYDN-LZWOXQAQSA-N 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COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000511234673 1186798380 /nfs/dbraw/zinc/79/83/80/1186798380.db2.gz OWALJKMTMCCCHI-IRXDYDNUSA-N 0 3 395.548 0.505 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000583219986 1186798719 /nfs/dbraw/zinc/79/87/19/1186798719.db2.gz CSSIVFGEVBXZIL-FZKCQIBNSA-N 0 3 382.505 0.118 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)C1CCOCC1 ZINC000583224868 1186801141 /nfs/dbraw/zinc/80/11/41/1186801141.db2.gz USRHEEWESFMQDO-RBUKOAKNSA-N 0 3 394.560 0.935 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cccc(N3CCC3=O)c2)CC1 ZINC000583242161 1186805171 /nfs/dbraw/zinc/80/51/71/1186805171.db2.gz AZHKBYKFIJMRMO-SFHVURJKSA-N 0 3 399.495 0.871 20 0 GCADHN O=C(C(=O)N1CCN(C[C@@H]2CCCO2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000657745200 1186806733 /nfs/dbraw/zinc/80/67/33/1186806733.db2.gz PXBGZKOGPSZDEZ-MSOLQXFVSA-N 0 3 378.517 0.396 20 0 GCADHN COc1cc2c(c(OC)c1OC)CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2 ZINC000583264980 1186811231 /nfs/dbraw/zinc/81/12/31/1186811231.db2.gz VGOAFMZPZRGRNB-KRWDZBQOSA-N 0 3 393.484 0.739 20 0 GCADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000685110007 1186812563 /nfs/dbraw/zinc/81/25/63/1186812563.db2.gz RIYLVIIQBFOSKL-MOPGFXCFSA-N 0 3 389.496 0.623 20 0 GCADHN CO[C@]1(C)CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000583279794 1186816110 /nfs/dbraw/zinc/81/61/10/1186816110.db2.gz PWVYVZLVBKZXSP-HNAYVOBHSA-N 0 3 382.505 0.073 20 0 GCADHN CO[C@@]1(C)CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000583279792 1186816293 /nfs/dbraw/zinc/81/62/93/1186816293.db2.gz PWVYVZLVBKZXSP-BEFAXECRSA-N 0 3 382.505 0.073 20 0 GCADHN Cc1nc(CN2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)oc1C ZINC000728560912 1186820110 /nfs/dbraw/zinc/82/01/10/1186820110.db2.gz VQAFSRRFQCQHMG-UHFFFAOYSA-N 0 3 390.488 0.383 20 0 GCADHN CN(C)[C@@H](CNC(=O)CNS(=O)(=O)c1cccnc1)Cc1ccccc1 ZINC000569627439 1186823608 /nfs/dbraw/zinc/82/36/08/1186823608.db2.gz PBLBUXRCXADSAG-MRXNPFEDSA-N 0 3 376.482 0.649 20 0 GCADHN C([C@H]1CCOC1)n1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000583335403 1186829603 /nfs/dbraw/zinc/82/96/03/1186829603.db2.gz OGBDXSUXVAMNRH-KZNAEPCWSA-N 0 3 391.516 0.977 20 0 GCADHN CN(C)CCN(Cc1ccccc1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000052302436 1186836173 /nfs/dbraw/zinc/83/61/73/1186836173.db2.gz YOCFMGAWSOWIHD-UHFFFAOYSA-N 0 3 398.529 0.422 20 0 GCADHN Cc1nc(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)sc1C ZINC000126588969 1186842414 /nfs/dbraw/zinc/84/24/14/1186842414.db2.gz GPCNJGXQYXXKPP-OAHLLOKOSA-N 0 3 379.530 0.819 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1cccc(N2CCC2=O)c1 ZINC000448053846 1186844596 /nfs/dbraw/zinc/84/45/96/1186844596.db2.gz KEEOTXVNLXPJNM-UHFFFAOYSA-N 0 3 389.500 0.935 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCc3cccnn3)cc2)CC1 ZINC000278238064 1186844789 /nfs/dbraw/zinc/84/47/89/1186844789.db2.gz GCMNZYFMAYDQNX-UHFFFAOYSA-N 0 3 382.468 0.869 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCNc1cc[nH+]cc1 ZINC000536014111 1186848682 /nfs/dbraw/zinc/84/86/82/1186848682.db2.gz KBAFUHWKUQJOFS-UHFFFAOYSA-N 0 3 386.456 0.305 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000892335743 1186848881 /nfs/dbraw/zinc/84/88/81/1186848881.db2.gz VSNAUAZQIQPBCO-HXUWFJFHSA-N 0 3 397.516 0.977 20 0 GCADHN Cc1ccc(CCC(=O)NCC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000583440320 1186855706 /nfs/dbraw/zinc/85/57/06/1186855706.db2.gz ZLSZNVPCCZEXIL-GOSISDBHSA-N 0 3 384.484 0.958 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cncc(N2CCOCC2)c1 ZINC000536041649 1186864636 /nfs/dbraw/zinc/86/46/36/1186864636.db2.gz JWRLVUYJVQFGEH-SFHVURJKSA-N 0 3 389.500 0.591 20 0 GCADHN Cn1cc(CN2CCN(C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)cn1 ZINC000583479040 1186865164 /nfs/dbraw/zinc/86/51/64/1186865164.db2.gz SAKJZKGZNXCPHJ-UHFFFAOYSA-N 0 3 377.537 0.273 20 0 GCADHN O=c1[nH]c2ccc(S(=O)(=O)NC3CCN([C@H]4CCCC[C@H]4O)CC3)cc2[nH]1 ZINC000127455422 1186866168 /nfs/dbraw/zinc/86/61/68/1186866168.db2.gz ICIWWCPKQFCSFI-DLBZAZTESA-N 0 3 394.497 0.902 20 0 GCADHN O=C(C(=O)N1CCN2CCOC[C@@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000583496235 1186871653 /nfs/dbraw/zinc/87/16/53/1186871653.db2.gz SZAIWHYHCAFRHJ-SLFFLAALSA-N 0 3 398.507 0.262 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000278282597 1186871704 /nfs/dbraw/zinc/87/17/04/1186871704.db2.gz KEPBLMKFJJKEFM-QWHCGFSZSA-N 0 3 385.486 0.521 20 0 GCADHN CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000049053989 1186873408 /nfs/dbraw/zinc/87/34/08/1186873408.db2.gz KOTVWEJJZGQJEX-HNNXBMFYSA-N 0 3 389.500 0.403 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@H](C)c2cnn(C)c2C)CC1 ZINC000583514944 1186876032 /nfs/dbraw/zinc/87/60/32/1186876032.db2.gz ZSYUPVMPBHMIMT-CYBMUJFWSA-N 0 3 386.456 0.658 20 0 GCADHN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC[C@@H](CCC(N)=O)C1 ZINC000245395564 1186879868 /nfs/dbraw/zinc/87/98/68/1186879868.db2.gz HZVXBBQKWQHZCG-CVEARBPZSA-N 0 3 390.484 0.930 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(F)c1 ZINC000635046192 1186883252 /nfs/dbraw/zinc/88/32/52/1186883252.db2.gz COMVSRYBVJUEDR-UHFFFAOYSA-N 0 3 392.431 0.539 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000458594506 1186889682 /nfs/dbraw/zinc/88/96/82/1186889682.db2.gz XEUAFCSMZXKLSA-OLZOCXBDSA-N 0 3 380.411 0.686 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)CC1 ZINC000151060924 1186895144 /nfs/dbraw/zinc/89/51/44/1186895144.db2.gz PQCSSKASVQKCKK-MRXNPFEDSA-N 0 3 394.422 0.460 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@]3(C2)CC(=O)c2ccccc2O3)n1 ZINC000413528575 1186899519 /nfs/dbraw/zinc/89/95/19/1186899519.db2.gz GTJDEAZOYYIDBN-HXUWFJFHSA-N 0 3 398.467 0.554 20 0 GCADHN C[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@H]1C ZINC000245884044 1186900056 /nfs/dbraw/zinc/90/00/56/1186900056.db2.gz OIDYOHRWQLARJO-SJORKVTESA-N 0 3 390.532 0.430 20 0 GCADHN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545162975 1186902150 /nfs/dbraw/zinc/90/21/50/1186902150.db2.gz VIJJQOAYUBUDHX-KRWDZBQOSA-N 0 3 399.517 0.191 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685175514 1186909511 /nfs/dbraw/zinc/90/95/11/1186909511.db2.gz MKOOIMGLTPLVSB-IIAWOOMASA-N 0 3 390.488 0.021 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000583655866 1186912357 /nfs/dbraw/zinc/91/23/57/1186912357.db2.gz WIRDWLLZHUQDCK-LBPRGKRZSA-N 0 3 378.395 0.210 20 0 GCADHN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583704701 1186923878 /nfs/dbraw/zinc/92/38/78/1186923878.db2.gz NXLKARVNHCWGPL-OUJBWJOFSA-N 0 3 399.278 0.882 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CCO[C@@H](C(=O)OC)C3)cc2)CC1 ZINC000728575037 1186929816 /nfs/dbraw/zinc/92/98/16/1186929816.db2.gz MLZIGXTVUDEFMB-GOSISDBHSA-N 0 3 390.484 0.641 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)NCCN2CCC(C)CC2)cn1 ZINC000583767211 1186935106 /nfs/dbraw/zinc/93/51/06/1186935106.db2.gz UENPTXVVZNLNAI-UHFFFAOYSA-N 0 3 378.473 0.571 20 0 GCADHN COCC(=O)N(C)CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000536123294 1186936341 /nfs/dbraw/zinc/93/63/41/1186936341.db2.gz OKIYJQWPKBNUOD-UHFFFAOYSA-N 0 3 376.501 0.810 20 0 GCADHN Cc1ccc(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(=O)n1C ZINC000278423107 1186939252 /nfs/dbraw/zinc/93/92/52/1186939252.db2.gz IWZFDYFJWDKMEL-MRXNPFEDSA-N 0 3 377.489 0.436 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)NC[C@H]2CCCCN2CCO)C1=O ZINC000458691087 1186945507 /nfs/dbraw/zinc/94/55/07/1186945507.db2.gz LJGYKRFOYWBZHO-HZPDHXFCSA-N 0 3 392.504 0.544 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccnn1C ZINC000611790454 1186945834 /nfs/dbraw/zinc/94/58/34/1186945834.db2.gz WDAOMVYCKVDOSO-IAGOWNOFSA-N 0 3 391.516 0.645 20 0 GCADHN CCC(=O)NCc1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)ccc1OC ZINC000278440589 1186945846 /nfs/dbraw/zinc/94/58/46/1186945846.db2.gz ULGPVEKIBLFVQI-GASCZTMLSA-N 0 3 381.498 0.904 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000583824148 1186946131 /nfs/dbraw/zinc/94/61/31/1186946131.db2.gz UZOILPDFZPHIIH-DAXOMENPSA-N 0 3 384.436 0.078 20 0 GCADHN CCc1cc(N2CCC[C@H](NC(=O)N3CCO[C@@H](CN(C)C)C3)C2)ncn1 ZINC000247067589 1186946678 /nfs/dbraw/zinc/94/66/78/1186946678.db2.gz KOYXHXPADWJECS-IRXDYDNUSA-N 0 3 376.505 0.980 20 0 GCADHN COc1ccc(Cn2nccc2NC(=O)C(=O)NC[C@H](C)N(C)C)c(OC)c1 ZINC000583854495 1186952030 /nfs/dbraw/zinc/95/20/30/1186952030.db2.gz QSEILQGMMKVENH-ZDUSSCGKSA-N 0 3 389.456 0.953 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCCc3nc4c(s3)CCCC4)CCN2C1=O ZINC000583883895 1186957001 /nfs/dbraw/zinc/95/70/01/1186957001.db2.gz KLLXSRKFRCMEPF-QWHCGFSZSA-N 0 3 377.514 0.908 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCCc3nc4c(s3)CCCC4)CCN2C1=O ZINC000583883896 1186957140 /nfs/dbraw/zinc/95/71/40/1186957140.db2.gz KLLXSRKFRCMEPF-STQMWFEESA-N 0 3 377.514 0.908 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCc3ccn(C)n3)CC2)C[C@H](C)O1 ZINC000583890119 1186958153 /nfs/dbraw/zinc/95/81/53/1186958153.db2.gz QSVBUTMCILZTRI-GASCZTMLSA-N 0 3 377.489 0.384 20 0 GCADHN CCc1noc2ncc(C(=O)N[C@H]3CC(=O)N(CCN(C)CCOC)C3)cc12 ZINC000583893903 1186958165 /nfs/dbraw/zinc/95/81/65/1186958165.db2.gz VMUZVTTVIUYQCG-AWEZNQCLSA-N 0 3 389.456 0.694 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000583949129 1186967292 /nfs/dbraw/zinc/96/72/92/1186967292.db2.gz NAFPEXSAVUAIPO-GOEBONIOSA-N 0 3 377.489 0.483 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000278523553 1186969003 /nfs/dbraw/zinc/96/90/03/1186969003.db2.gz YMRLCYPNCSFOND-YOEHRIQHSA-N 0 3 390.488 0.420 20 0 GCADHN C[C@@H](C(=O)N(C)CC(=O)N1CCN(CC2CCOCC2)CC1)n1cccn1 ZINC000329601668 1186972532 /nfs/dbraw/zinc/97/25/32/1186972532.db2.gz QJOGPMAKNXJJSA-INIZCTEOSA-N 0 3 377.489 0.473 20 0 GCADHN OCCN1CCCN(c2ncc(Cl)c(N3CCCN(CCO)CC3)n2)CC1 ZINC000151410720 1186979299 /nfs/dbraw/zinc/97/92/99/1186979299.db2.gz XVTXKGXBJVZPGA-UHFFFAOYSA-N 0 3 398.939 0.139 20 0 GCADHN O=C(Cc1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458767355 1186981346 /nfs/dbraw/zinc/98/13/46/1186981346.db2.gz QFMNRQWKXWQNIQ-MOPGFXCFSA-N 0 3 388.512 0.976 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000458768971 1186981496 /nfs/dbraw/zinc/98/14/96/1186981496.db2.gz MWRVEOSRYRBDAB-IAGOWNOFSA-N 0 3 381.521 0.813 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000584018826 1186982569 /nfs/dbraw/zinc/98/25/69/1186982569.db2.gz ZNCVOADUFXTUCZ-JKSUJKDBSA-N 0 3 378.473 0.509 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000133331568 1186990861 /nfs/dbraw/zinc/99/08/61/1186990861.db2.gz ZDDFBBIGKYJNQA-OCCSQVGLSA-N 0 3 387.419 0.825 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCN(C(C)C)CC1 ZINC000329647137 1186990976 /nfs/dbraw/zinc/99/09/76/1186990976.db2.gz JBZDPKNBRGZODL-AWEZNQCLSA-N 0 3 385.534 0.646 20 0 GCADHN CCN1CCN(CCC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)CC1 ZINC000536210340 1186996011 /nfs/dbraw/zinc/99/60/11/1186996011.db2.gz WXWICAFJUPNWOF-UHFFFAOYSA-N 0 3 396.513 0.898 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1c(C)noc1C ZINC000584140011 1187004904 /nfs/dbraw/zinc/00/49/04/1187004904.db2.gz MZELXKRUEOJVPT-MRXNPFEDSA-N 0 3 379.505 0.955 20 0 GCADHN Cc1nc2ccc(NC(=O)C(=O)N3CC[C@H](N4CCN(C(C)C)CC4)C3)cn2n1 ZINC000584143173 1187006301 /nfs/dbraw/zinc/00/63/01/1187006301.db2.gz NCUWHZAKADRGND-KRWDZBQOSA-N 0 3 399.499 0.603 20 0 GCADHN C[C@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)NC(=O)C1CCCC1 ZINC000152704571 1187009014 /nfs/dbraw/zinc/00/90/14/1187009014.db2.gz LTKSLXBSIUPCTN-WBVHZDCISA-N 0 3 378.517 0.836 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000052931749 1187025127 /nfs/dbraw/zinc/02/51/27/1187025127.db2.gz OEGOYBCXYPHRGY-WBVHZDCISA-N 0 3 394.516 0.914 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC000584297724 1187028228 /nfs/dbraw/zinc/02/82/28/1187028228.db2.gz XBHBZCNJWFELFN-QRWLVFNGSA-N 0 3 397.516 0.398 20 0 GCADHN C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001719773141 1187031932 /nfs/dbraw/zinc/03/19/32/1187031932.db2.gz FMVRQQMNLFDWLD-VQHPVUNQSA-N 0 3 392.544 0.973 20 0 GCADHN Cn1ccnc1[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(F)cc1 ZINC000584362113 1187039511 /nfs/dbraw/zinc/03/95/11/1187039511.db2.gz NSLJBHAUZXXPOB-HRCADAONSA-N 0 3 386.431 0.602 20 0 GCADHN Cn1ccnc1[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(F)cc1 ZINC000584362114 1187039566 /nfs/dbraw/zinc/03/95/66/1187039566.db2.gz NSLJBHAUZXXPOB-OWCLPIDISA-N 0 3 386.431 0.602 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C ZINC000278743911 1187044842 /nfs/dbraw/zinc/04/48/42/1187044842.db2.gz TVTXZMMSZYUTFP-UHFFFAOYSA-N 0 3 395.410 0.734 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(CN3CCCCC3=O)CC2)CC1=O ZINC000081410605 1187045248 /nfs/dbraw/zinc/04/52/48/1187045248.db2.gz ATULMCXRLMGCJI-KRWDZBQOSA-N 0 3 378.517 0.648 20 0 GCADHN Cc1nnc(NC(=O)CN[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1 ZINC001691453335 1187047856 /nfs/dbraw/zinc/04/78/56/1187047856.db2.gz YKMYGZGARGULOM-YECZKKJWSA-N 0 3 391.497 0.693 20 0 GCADHN CC(=O)N1CCC(CCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000152731646 1187050795 /nfs/dbraw/zinc/05/07/95/1187050795.db2.gz IGDZOAZYJVVLMK-GOSISDBHSA-N 0 3 378.517 0.790 20 0 GCADHN CN(C)[C@H](CNC(=O)N(C)C[C@@H](O)CN1CCOCC1)Cc1ccccc1 ZINC000083694293 1187052141 /nfs/dbraw/zinc/05/21/41/1187052141.db2.gz UXADPXNPGQIYPU-RBUKOAKNSA-N 0 3 378.517 0.494 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccnn2CC(C)C)CC1 ZINC000151883360 1187053692 /nfs/dbraw/zinc/05/36/92/1187053692.db2.gz HFBYCOSMZNNTKY-MRXNPFEDSA-N 0 3 378.521 0.867 20 0 GCADHN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584422104 1187056848 /nfs/dbraw/zinc/05/68/48/1187056848.db2.gz MDCKTEFBVOPLNO-QZTJIDSGSA-N 0 3 396.495 0.980 20 0 GCADHN COCCN(C(=O)COc1ccc2c(c1)OCCNC2)[C@@H]1CCS(=O)(=O)C1 ZINC000574982288 1187058051 /nfs/dbraw/zinc/05/80/51/1187058051.db2.gz VZPWIPYGNKTQAZ-OAHLLOKOSA-N 0 3 398.481 0.210 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000584427865 1187059253 /nfs/dbraw/zinc/05/92/53/1187059253.db2.gz SSRAECYCFHPRBT-OLZOCXBDSA-N 0 3 383.411 0.111 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2ncccc2F)CC1)CN1CCN(C)CC1 ZINC000090593647 1187064172 /nfs/dbraw/zinc/06/41/72/1187064172.db2.gz LLUZBGSLLDHMCO-INIZCTEOSA-N 0 3 378.496 0.936 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCN2CCCC2=O)c1 ZINC000563894972 1187069538 /nfs/dbraw/zinc/06/95/38/1187069538.db2.gz OELMURXTTKDTOS-UHFFFAOYSA-N 0 3 390.484 0.324 20 0 GCADHN COCCN1CCC(NC(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000140417122 1187078158 /nfs/dbraw/zinc/07/81/58/1187078158.db2.gz OLBRWGIXKUDYSB-UHFFFAOYSA-N 0 3 391.520 0.009 20 0 GCADHN COCCN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000141671043 1187080410 /nfs/dbraw/zinc/08/04/10/1187080410.db2.gz JXHCWHMLAOWRRF-HNNXBMFYSA-N 0 3 383.514 0.889 20 0 GCADHN CNC(=O)COc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1OC ZINC000147488939 1187084296 /nfs/dbraw/zinc/08/42/96/1187084296.db2.gz NRKRTPFRYDNHBA-UHFFFAOYSA-N 0 3 392.500 0.577 20 0 GCADHN COCCN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1CCCC1 ZINC000046600473 1187090338 /nfs/dbraw/zinc/09/03/38/1187090338.db2.gz CYMUVNURRAQWAB-UHFFFAOYSA-N 0 3 382.549 0.936 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CNC(=O)COc2ccccc2)CC1 ZINC000375768619 1187090933 /nfs/dbraw/zinc/09/09/33/1187090933.db2.gz ARHUSVACJQOQCB-QGZVFWFLSA-N 0 3 388.468 0.122 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000685338991 1187102881 /nfs/dbraw/zinc/10/28/81/1187102881.db2.gz BPMPKPVKEDTQHZ-QXAKKESOSA-N 0 3 388.512 0.555 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)o1 ZINC000685340166 1187104297 /nfs/dbraw/zinc/10/42/97/1187104297.db2.gz PKAQSBXKTPMGFD-NVXWUHKLSA-N 0 3 380.489 0.314 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F)[C@H]1CN(C)CCO1 ZINC000685342080 1187108335 /nfs/dbraw/zinc/10/83/35/1187108335.db2.gz VYQHBSXMANTQIW-CRAIPNDOSA-N 0 3 394.491 0.551 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N(C)CCN2CCCC2)C1=O ZINC000685488965 1187137216 /nfs/dbraw/zinc/13/72/16/1187137216.db2.gz KNSOGYUOBZHTKO-OAHLLOKOSA-N 0 3 390.488 0.069 20 0 GCADHN COCCN1CCC(NC(=O)NCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000140430996 1187138714 /nfs/dbraw/zinc/13/87/14/1187138714.db2.gz NBTXYTCOWSCIAK-UHFFFAOYSA-N 0 3 378.473 0.835 20 0 GCADHN COCCN(C)CCNC(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000588977575 1187145142 /nfs/dbraw/zinc/14/51/42/1187145142.db2.gz OYKOURJYHIIUPS-UHFFFAOYSA-N 0 3 386.562 0.998 20 0 GCADHN CC[NH+]1CCC(CNC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CC1 ZINC000142789006 1187149864 /nfs/dbraw/zinc/14/98/64/1187149864.db2.gz VVCUPMKHJRDZDA-UHFFFAOYSA-N 0 3 391.516 0.696 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635639555 1187168951 /nfs/dbraw/zinc/16/89/51/1187168951.db2.gz BFHNGTQELWRCBW-KRWDZBQOSA-N 0 3 387.546 0.902 20 0 GCADHN O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000685602771 1187177558 /nfs/dbraw/zinc/17/75/58/1187177558.db2.gz SZAOQWYTTRYDNU-MRXNPFEDSA-N 0 3 399.488 0.817 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc3c(cc[nH]c3=O)c2)CC1(C)C ZINC000657925408 1187194272 /nfs/dbraw/zinc/19/42/72/1187194272.db2.gz BQNOVMDXBIRLSU-UHFFFAOYSA-N 0 3 385.468 0.609 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)CC1(C)C ZINC000657925740 1187194304 /nfs/dbraw/zinc/19/43/04/1187194304.db2.gz CDNKQNZAOQXFFC-UHFFFAOYSA-N 0 3 387.484 0.053 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000611993124 1187228855 /nfs/dbraw/zinc/22/88/55/1187228855.db2.gz WJBIZRLJDYGAJL-MRXNPFEDSA-N 0 3 383.533 0.907 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1cncc(OCC(F)(F)F)n1 ZINC000658022134 1187233582 /nfs/dbraw/zinc/23/35/82/1187233582.db2.gz SXPKSTUATNIWBG-SNVBAGLBSA-N 0 3 375.351 0.909 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2ccccc2N)C[C@@H](C)O1 ZINC000612056194 1187244320 /nfs/dbraw/zinc/24/43/20/1187244320.db2.gz GJWKHPRUNWUCPR-HUUCEWRRSA-N 0 3 398.529 0.553 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000612043411 1187244379 /nfs/dbraw/zinc/24/43/79/1187244379.db2.gz FXXWLKKXQISGPQ-GVDBMIGSSA-N 0 3 376.501 0.590 20 0 GCADHN C[C@H](C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1)n1cnc2c1ncnc2N ZINC000612057855 1187244393 /nfs/dbraw/zinc/24/43/93/1187244393.db2.gz TYCCHFASQCXCIK-HZSPNIEDSA-N 0 3 375.477 0.975 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2cccnc2)C[C@H](C)O1 ZINC000612058203 1187246374 /nfs/dbraw/zinc/24/63/74/1187246374.db2.gz XJPYJTHKJFGAMW-GASCZTMLSA-N 0 3 384.502 0.366 20 0 GCADHN O=C(C(=O)N1CCN(C2CCCCC2)CC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000658129160 1187248513 /nfs/dbraw/zinc/24/85/13/1187248513.db2.gz UGDVWHVNMQTWIE-GOSISDBHSA-N 0 3 392.544 0.644 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001024128123 1187257817 /nfs/dbraw/zinc/25/78/17/1187257817.db2.gz 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CN(C)c1cc(NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)ncn1 ZINC000658482635 1187316670 /nfs/dbraw/zinc/31/66/70/1187316670.db2.gz WKRKGOKXDSPGDZ-UHFFFAOYSA-N 0 3 397.483 0.905 20 0 GCADHN c1cc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2C[C@@H]2CCOC2)n[nH]1 ZINC000612157692 1187317871 /nfs/dbraw/zinc/31/78/71/1187317871.db2.gz MERHDONGHYGCRE-HOTGVXAUSA-N 0 3 387.488 0.863 20 0 GCADHN CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000658515154 1187324754 /nfs/dbraw/zinc/32/47/54/1187324754.db2.gz AHOONHYOUYUKGO-LJQANCHMSA-N 0 3 391.512 0.883 20 0 GCADHN CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000658515149 1187324981 /nfs/dbraw/zinc/32/49/81/1187324981.db2.gz AHOONHYOUYUKGO-IBGZPJMESA-N 0 3 391.512 0.883 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 ZINC000148568496 1187326154 /nfs/dbraw/zinc/32/61/54/1187326154.db2.gz CNBNYRIQYMVRTK-UHFFFAOYSA-N 0 3 377.441 0.947 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000658529969 1187326527 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COCCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000685716454 1187343625 /nfs/dbraw/zinc/34/36/25/1187343625.db2.gz OTXVPZIENXPOSX-MRXNPFEDSA-N 0 3 383.514 0.809 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000685717239 1187347973 /nfs/dbraw/zinc/34/79/73/1187347973.db2.gz XUQGDYFUMJTXIU-KURKYZTESA-N 0 3 391.516 0.541 20 0 GCADHN COc1ccc(N2C[C@H](NC(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2=O)cc1 ZINC000612178643 1187359947 /nfs/dbraw/zinc/35/99/47/1187359947.db2.gz UDSJXBHIHDDSAJ-GDBMZVCRSA-N 0 3 388.468 0.469 20 0 GCADHN CN(C)Cc1ccoc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001024376679 1187367013 /nfs/dbraw/zinc/36/70/13/1187367013.db2.gz WSKWODWZHMTZEY-RRCSTGOVSA-N 0 3 387.440 0.170 20 0 GCADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000658634978 1187394492 /nfs/dbraw/zinc/39/44/92/1187394492.db2.gz KIXGLIPBBJZLNU-QZTJIDSGSA-N 0 3 375.469 0.593 20 0 GCADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000375793029 1187399391 /nfs/dbraw/zinc/39/93/91/1187399391.db2.gz MPZRXZOJDAHDED-URQAUJNWSA-N 0 3 383.514 0.497 20 0 GCADHN CCOc1ccc(N2CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC2)nn1 ZINC000658679048 1187409844 /nfs/dbraw/zinc/40/98/44/1187409844.db2.gz MPNZKPFHHVPTOP-UHFFFAOYSA-N 0 3 392.504 0.323 20 0 GCADHN C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000658692005 1187412244 /nfs/dbraw/zinc/41/22/44/1187412244.db2.gz FDPBASVNAJSDSQ-TZMCWYRMSA-N 0 3 390.440 0.466 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658702002 1187418013 /nfs/dbraw/zinc/41/80/13/1187418013.db2.gz YNPQTFQSWYELJD-ZACQAIPSSA-N 0 3 376.501 0.543 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000612227423 1187418988 /nfs/dbraw/zinc/41/89/88/1187418988.db2.gz SHEOFFQPWOWMKD-SFHVURJKSA-N 0 3 390.484 0.284 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000658705618 1187419868 /nfs/dbraw/zinc/41/98/68/1187419868.db2.gz IOYWLRRCSWKNBW-CYBMUJFWSA-N 0 3 382.486 0.660 20 0 GCADHN CN(C)CCn1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000647439487 1187421919 /nfs/dbraw/zinc/42/19/19/1187421919.db2.gz SMHRLQMREBAVRI-UHFFFAOYSA-N 0 3 397.457 0.311 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)[C@@H](C)CN1CCO ZINC000636036183 1187430487 /nfs/dbraw/zinc/43/04/87/1187430487.db2.gz YLRGYQPWJSOBFD-GJZGRUSLSA-N 0 3 389.500 0.831 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(OCCN2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000375810675 1187430731 /nfs/dbraw/zinc/43/07/31/1187430731.db2.gz GYHVFMPSZLNLHZ-RBUKOAKNSA-N 0 3 397.541 0.847 20 0 GCADHN CN(Cc1cnn(C)c1)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612231650 1187438909 /nfs/dbraw/zinc/43/89/09/1187438909.db2.gz OLXWBEKJBJNEDJ-UHFFFAOYSA-N 0 3 384.484 0.802 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CN1Cc1ccccc1 ZINC000612299858 1187454366 /nfs/dbraw/zinc/45/43/66/1187454366.db2.gz LAVZZSNNJPPXDM-PVAVHDDUSA-N 0 3 380.514 0.681 20 0 GCADHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000548914583 1187455027 /nfs/dbraw/zinc/45/50/27/1187455027.db2.gz KOACAZPFEDIXON-YNEHKIRRSA-N 0 3 397.497 0.789 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000588982442 1187455991 /nfs/dbraw/zinc/45/59/91/1187455991.db2.gz AUVIKGDRALUUEP-QZTJIDSGSA-N 0 3 397.564 0.396 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000658779649 1187456973 /nfs/dbraw/zinc/45/69/73/1187456973.db2.gz SNJNMYIWZUPGRM-HNNXBMFYSA-N 0 3 387.440 0.277 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(CCC)C2)cc1 ZINC000658777266 1187457465 /nfs/dbraw/zinc/45/74/65/1187457465.db2.gz BXXGBOINVNUKTB-HNNXBMFYSA-N 0 3 396.513 0.914 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(OCC(=O)NCC)c2)C1 ZINC000658777367 1187457871 /nfs/dbraw/zinc/45/78/71/1187457871.db2.gz GQEXPBJXJUFKLU-HNNXBMFYSA-N 0 3 376.457 0.741 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)C1 ZINC000658779390 1187459949 /nfs/dbraw/zinc/45/99/49/1187459949.db2.gz PLPJPFLCZOOROB-MRXNPFEDSA-N 0 3 385.468 0.926 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)C1 ZINC000658778845 1187461176 /nfs/dbraw/zinc/46/11/76/1187461176.db2.gz MCXLJRAFXKOYGO-HNNXBMFYSA-N 0 3 375.473 0.766 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)C1 ZINC000658780610 1187461213 /nfs/dbraw/zinc/46/12/13/1187461213.db2.gz ZPAMZKJHFGYFSL-AWEZNQCLSA-N 0 3 382.486 0.435 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)C1 ZINC000658780564 1187461254 /nfs/dbraw/zinc/46/12/54/1187461254.db2.gz YLRNTELQYBIKKR-ZDUSSCGKSA-N 0 3 382.486 0.442 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000658780819 1187461416 /nfs/dbraw/zinc/46/14/16/1187461416.db2.gz ZQSDDIATVWYBRH-HNNXBMFYSA-N 0 3 388.468 0.698 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)C1 ZINC000658779788 1187461940 /nfs/dbraw/zinc/46/19/40/1187461940.db2.gz WNPPGYCMGUQKSH-MRXNPFEDSA-N 0 3 388.468 0.761 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)C1 ZINC000658782387 1187462539 /nfs/dbraw/zinc/46/25/39/1187462539.db2.gz GOZVJGFKUHIOIF-GFCCVEGCSA-N 0 3 398.410 0.968 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000612331675 1187463776 /nfs/dbraw/zinc/46/37/76/1187463776.db2.gz BEZBVPOYAGSOHW-UHFFFAOYSA-N 0 3 390.532 0.743 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)C1 ZINC000658783439 1187464489 /nfs/dbraw/zinc/46/44/89/1187464489.db2.gz LRRKQYMOPQAYJW-CYBMUJFWSA-N 0 3 383.470 0.638 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1 ZINC000151608221 1187464641 /nfs/dbraw/zinc/46/46/41/1187464641.db2.gz NDLJCPOIZCMIAO-DLBZAZTESA-N 0 3 388.516 0.428 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@](C)(O)CC2)CC1 ZINC000375907832 1187483193 /nfs/dbraw/zinc/48/31/93/1187483193.db2.gz ZQXYDGXDPXILSY-IBGZPJMESA-N 0 3 387.488 0.249 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000375908115 1187483287 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CCCN1CC[C@H](NC(=O)C(=O)N2CCN(Cc3csc(CC)n3)CC2)C1 ZINC000612551634 1187520988 /nfs/dbraw/zinc/52/09/88/1187520988.db2.gz QIRRXRZMAQDTHT-HNNXBMFYSA-N 0 3 393.557 0.950 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)c(OC)n1 ZINC000658804865 1187521586 /nfs/dbraw/zinc/52/15/86/1187521586.db2.gz XNOIWLMKQJICGI-ZDUSSCGKSA-N 0 3 378.429 0.407 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N(CCOC)Cc2ccc3c(c2)OCO3)C1 ZINC000612547831 1187522724 /nfs/dbraw/zinc/52/27/24/1187522724.db2.gz HJACCTUZCFISQS-MRXNPFEDSA-N 0 3 391.468 0.991 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000612548453 1187522976 /nfs/dbraw/zinc/52/29/76/1187522976.db2.gz NJBGKHPDEALZEU-HNNXBMFYSA-N 0 3 381.498 0.649 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3cccc(OCC)n3)CC2)C1 ZINC000612548341 1187522992 /nfs/dbraw/zinc/52/29/92/1187522992.db2.gz MHIREALWYATLSE-MRXNPFEDSA-N 0 3 389.500 0.729 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1 ZINC000612546583 1187523013 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GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCN(c2cccs2)CC1 ZINC000612594870 1187535412 /nfs/dbraw/zinc/53/54/12/1187535412.db2.gz CMWHJESPCIBWPP-MRXNPFEDSA-N 0 3 392.525 0.766 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000612595487 1187535688 /nfs/dbraw/zinc/53/56/88/1187535688.db2.gz HODMPFWVNUHNND-NVXWUHKLSA-N 0 3 377.441 0.549 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@@]2(CCCOC2)O1 ZINC000612596532 1187535762 /nfs/dbraw/zinc/53/57/62/1187535762.db2.gz VXAMKDCKZRHGJP-OXFYSEKESA-N 0 3 395.500 0.152 20 0 GCADHN CC(C)OC[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCO1 ZINC000612595436 1187535820 /nfs/dbraw/zinc/53/58/20/1187535820.db2.gz WTHMPBSAISFYEM-IRXDYDNUSA-N 0 3 383.489 0.008 20 0 GCADHN CC(C)C[C@]1(CO)CCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612595626 1187535856 /nfs/dbraw/zinc/53/58/56/1187535856.db2.gz ZCSFAYPTBMJLQS-XLIONFOSSA-N 0 3 381.517 0.756 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCc2ccccc2[C@@H]1CO ZINC000612596609 1187536438 /nfs/dbraw/zinc/53/64/38/1187536438.db2.gz QHQDSPXMMJSIGT-HKUYNNGSSA-N 0 3 387.480 0.474 20 0 GCADHN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612596402 1187536556 /nfs/dbraw/zinc/53/65/56/1187536556.db2.gz ORNPESBOHXLETO-WMZOPIPTSA-N 0 3 389.500 0.762 20 0 GCADHN CN(CCN(C)c1ccccc1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612599088 1187538772 /nfs/dbraw/zinc/53/87/72/1187538772.db2.gz OQOZPTQVTYRCCJ-IBGZPJMESA-N 0 3 388.512 0.951 20 0 GCADHN CN(CCOc1ccccc1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612599780 1187539378 /nfs/dbraw/zinc/53/93/78/1187539378.db2.gz AAXWUHLLRYSMMT-KRWDZBQOSA-N 0 3 375.469 0.893 20 0 GCADHN CC(C)(C)C(=O)N1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000612601154 1187539454 /nfs/dbraw/zinc/53/94/54/1187539454.db2.gz NWKFOSPYWHOIKA-INIZCTEOSA-N 0 3 394.516 0.073 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000612602159 1187540029 /nfs/dbraw/zinc/54/00/29/1187540029.db2.gz WGURUTDGQAUCLL-KRWDZBQOSA-N 0 3 387.484 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1187564162 /nfs/dbraw/zinc/56/41/62/1187564162.db2.gz WUPBHQUCKNXUHA-AWEZNQCLSA-N 0 3 378.473 0.563 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC(C)C)C1 ZINC000413894915 1187569403 /nfs/dbraw/zinc/56/94/03/1187569403.db2.gz PUDSCOHLRHZHNW-ZBFHGGJFSA-N 0 3 393.488 0.046 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)C1 ZINC000413904691 1187577013 /nfs/dbraw/zinc/57/70/13/1187577013.db2.gz PWCVMCAADBUMGE-MJGOQNOKSA-N 0 3 389.496 0.748 20 0 GCADHN C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C1=CCN(C)CC1 ZINC000511375752 1187579424 /nfs/dbraw/zinc/57/94/24/1187579424.db2.gz CQZMTWUDCDXNBF-CYBMUJFWSA-N 0 3 379.482 0.762 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC1CCSCC1 ZINC000570384610 1187590400 /nfs/dbraw/zinc/59/04/00/1187590400.db2.gz UJONOBIMIFIVCQ-HNNXBMFYSA-N 0 3 384.546 0.305 20 0 GCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCNC(C)=O ZINC000570396918 1187594459 /nfs/dbraw/zinc/59/44/59/1187594459.db2.gz YBDQSLQLNKXHGK-GOSISDBHSA-N 0 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CC(C)(C)n1nnc(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000613089035 1187661593 /nfs/dbraw/zinc/66/15/93/1187661593.db2.gz UNPPTZLKQXSMIH-DLBZAZTESA-N 0 3 386.500 0.970 20 0 GCADHN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@@H]1CN2CCN1CCC2 ZINC000376192640 1187663090 /nfs/dbraw/zinc/66/30/90/1187663090.db2.gz BDJWFIZEAFZLDL-INIZCTEOSA-N 0 3 377.876 0.605 20 0 GCADHN NS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000613117660 1187667493 /nfs/dbraw/zinc/66/74/93/1187667493.db2.gz PSTXPQFRUTVSGW-HNNXBMFYSA-N 0 3 396.513 0.497 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1)N1CCCCC1 ZINC001024903545 1187678451 /nfs/dbraw/zinc/67/84/51/1187678451.db2.gz JMRMBXPYQLSGMG-LHUKNYEISA-N 0 3 393.528 0.898 20 0 GCADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1 ZINC000613173100 1187686977 /nfs/dbraw/zinc/68/69/77/1187686977.db2.gz JZWUTEHPGHRBGO-NCXUSEDFSA-N 0 3 376.453 0.361 20 0 GCADHN 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CO[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)[C@](C)(CO)C1 ZINC000636315092 1187718094 /nfs/dbraw/zinc/71/80/94/1187718094.db2.gz RJWHHZHTBJWNIQ-LIRRHRJNSA-N 0 3 376.457 0.915 20 0 GCADHN CCN(CC)C(=O)C1(NCCNS(=O)(=O)c2cnn(C)c2)CCCCC1 ZINC000173414184 1187724275 /nfs/dbraw/zinc/72/42/75/1187724275.db2.gz NIFANFSFICJFSF-UHFFFAOYSA-N 0 3 385.534 0.859 20 0 GCADHN C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000472536623 1187727121 /nfs/dbraw/zinc/72/71/21/1187727121.db2.gz MBKXVUPQEYIXGW-DGCLKSJQSA-N 0 3 376.413 0.076 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1O)N1CCCC1 ZINC001024999716 1187740815 /nfs/dbraw/zinc/74/08/15/1187740815.db2.gz ZGLFEWXIYPPRID-FIDHJVLJSA-N 0 3 379.501 0.364 20 0 GCADHN Cn1nccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001024998939 1187742489 /nfs/dbraw/zinc/74/24/89/1187742489.db2.gz IGGLERPQINDJOG-KCYZZUKISA-N 0 3 389.500 0.086 20 0 GCADHN C[C@H](NC(=O)CN1CCCN(C[C@H]2CCCO2)CC1)C(=O)N1CCCCC1 ZINC000613421007 1187743347 /nfs/dbraw/zinc/74/33/47/1187743347.db2.gz MNWWWCHTFNSARZ-ZWKOTPCHSA-N 0 3 380.533 0.690 20 0 GCADHN Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)cn1 ZINC001025002058 1187744783 /nfs/dbraw/zinc/74/47/83/1187744783.db2.gz YTMUDVYJFFMYHG-YLFCFFPRSA-N 0 3 389.500 0.086 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC1=O ZINC000376286046 1187748161 /nfs/dbraw/zinc/74/81/61/1187748161.db2.gz ADUJWCAJGLFYDX-ZNMIVQPWSA-N 0 3 391.472 0.693 20 0 GCADHN CC(C)n1c(N(C)C)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C ZINC000414208828 1187761748 /nfs/dbraw/zinc/76/17/48/1187761748.db2.gz JXKYMFLEYZHPBH-JTQLQIEISA-N 0 3 388.494 0.712 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000376325739 1187763546 /nfs/dbraw/zinc/76/35/46/1187763546.db2.gz SNIUATYLWVTWEU-JXXFODFXSA-N 0 3 393.532 0.629 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000376325421 1187763638 /nfs/dbraw/zinc/76/36/38/1187763638.db2.gz XVBIHHLQSMUCEW-CABCVRRESA-N 0 3 388.534 0.353 20 0 GCADHN COCCn1c(C)c(C)nc1S(=O)(=O)C(C)C(=O)NC(=O)NCC(C)C ZINC000414212867 1187766202 /nfs/dbraw/zinc/76/62/02/1187766202.db2.gz SYYYXZLPZUCKBT-CYBMUJFWSA-N 0 3 388.490 0.790 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 ZINC000332775743 1187770041 /nfs/dbraw/zinc/77/00/41/1187770041.db2.gz MXXNEYFIQHPHCD-KURKYZTESA-N 0 3 379.549 0.960 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O ZINC000472559372 1187776605 /nfs/dbraw/zinc/77/66/05/1187776605.db2.gz ZHWLWGZGEMKMRQ-HNNXBMFYSA-N 0 3 379.379 0.049 20 0 GCADHN O=C(CN1CC[C@@H](CN2CCOCC2)C1)NC[C@@H]1COc2ccccc2O1 ZINC000332886523 1187805984 /nfs/dbraw/zinc/80/59/84/1187805984.db2.gz KOYJLAPVBNYPQM-DLBZAZTESA-N 0 3 375.469 0.597 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 ZINC000152926826 1187823622 /nfs/dbraw/zinc/82/36/22/1187823622.db2.gz ICQBFPXZAAGOBW-HNNXBMFYSA-N 0 3 378.498 0.633 20 0 GCADHN Cc1cc(CN2CCN(C(=O)N[C@H](C)CCN3CCN(C)CC3)CC2)no1 ZINC000186099398 1187824252 /nfs/dbraw/zinc/82/42/52/1187824252.db2.gz CAYMWIDJQRUESS-MRXNPFEDSA-N 0 3 378.521 0.836 20 0 GCADHN COCCOc1cc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccc1OC ZINC000658980603 1187829936 /nfs/dbraw/zinc/82/99/36/1187829936.db2.gz CFZNXUVJEYAHRP-UHFFFAOYSA-N 0 3 377.401 0.996 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)n1 ZINC000658993728 1187832899 /nfs/dbraw/zinc/83/28/99/1187832899.db2.gz CXRLQHMUORAXFA-UHFFFAOYSA-N 0 3 396.407 0.969 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCn4ccnc4C3)CC2)C[C@@H](C)O1 ZINC000658993240 1187833621 /nfs/dbraw/zinc/83/36/21/1187833621.db2.gz JYVLMFKIXHRTTC-HZPDHXFCSA-N 0 3 389.500 0.573 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)N3CCn4ccnc4C3)CC2)C[C@H](C)O1 ZINC000658993239 1187833646 /nfs/dbraw/zinc/83/36/46/1187833646.db2.gz JYVLMFKIXHRTTC-HOTGVXAUSA-N 0 3 389.500 0.573 20 0 GCADHN NC(=O)CCSc1ccccc1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000658991553 1187833973 /nfs/dbraw/zinc/83/39/73/1187833973.db2.gz UAAUUYIOAPKHLR-UHFFFAOYSA-N 0 3 376.442 0.930 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000376434083 1187835202 /nfs/dbraw/zinc/83/52/02/1187835202.db2.gz GKTNKMALAXSLJM-IBGZPJMESA-N 0 3 383.456 0.040 20 0 GCADHN COC(=O)CNS(=O)(=O)c1ccc(-n2nc(CN)c3ccccc32)nc1 ZINC001167697317 1187838507 /nfs/dbraw/zinc/83/85/07/1187838507.db2.gz SVJABEANEOAGII-UHFFFAOYSA-N 0 3 375.410 0.331 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)n1 ZINC000659006297 1187840433 /nfs/dbraw/zinc/84/04/33/1187840433.db2.gz JVNLUXPIOZTVLT-UHFFFAOYSA-N 0 3 399.411 0.940 20 0 GCADHN COc1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(S(C)(=O)=O)c1 ZINC000659016342 1187842750 /nfs/dbraw/zinc/84/27/50/1187842750.db2.gz XNMBRJSYPLOLBK-UHFFFAOYSA-N 0 3 381.414 0.375 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000659073657 1187864070 /nfs/dbraw/zinc/86/40/70/1187864070.db2.gz DEUGCRRXTRZSJK-HOTGVXAUSA-N 0 3 377.489 0.685 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000659073660 1187864179 /nfs/dbraw/zinc/86/41/79/1187864179.db2.gz DEUGCRRXTRZSJK-HZPDHXFCSA-N 0 3 377.489 0.685 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000186899336 1187870453 /nfs/dbraw/zinc/87/04/53/1187870453.db2.gz GNMCTIDEJHBEGR-UHFFFAOYSA-N 0 3 391.444 0.077 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCc3cccc(N)c3)ccc2oc1=O ZINC000659094011 1187874246 /nfs/dbraw/zinc/87/42/46/1187874246.db2.gz JJWAOOIBOABPOA-UHFFFAOYSA-N 0 3 397.435 0.993 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCO[C@@H](c2ccnn2C)C1 ZINC000892648140 1187875848 /nfs/dbraw/zinc/87/58/48/1187875848.db2.gz COPXHWBVSLZCBF-IAGOWNOFSA-N 0 3 392.504 0.446 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000892649833 1187878331 /nfs/dbraw/zinc/87/83/31/1187878331.db2.gz NIDGXKCDRMBMKL-SQNIBIBYSA-N 0 3 396.532 0.909 20 0 GCADHN O=C(NCCCN1C(=O)COc2ccccc21)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000376485055 1187880163 /nfs/dbraw/zinc/88/01/63/1187880163.db2.gz PLAVLEYJIJAMOR-HOTGVXAUSA-N 0 3 388.468 0.965 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000892650914 1187881256 /nfs/dbraw/zinc/88/12/56/1187881256.db2.gz RYIUWEKSWGWJGX-BZSNNMDCSA-N 0 3 396.532 0.766 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000892650919 1187881329 /nfs/dbraw/zinc/88/13/29/1187881329.db2.gz RYIUWEKSWGWJGX-SQNIBIBYSA-N 0 3 396.532 0.766 20 0 GCADHN CNC(=O)c1cc2cc(NC(=O)C(=O)N(CCOC)CCN(C)C)ccc2[nH]1 ZINC000472607006 1187883030 /nfs/dbraw/zinc/88/30/30/1187883030.db2.gz MLDIVHIXABXVNN-UHFFFAOYSA-N 0 3 389.456 0.503 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)nn1C1CCCCC1 ZINC000659111026 1187885274 /nfs/dbraw/zinc/88/52/74/1187885274.db2.gz XIGHIUNXXVORHQ-UHFFFAOYSA-N 0 3 387.444 0.906 20 0 GCADHN C[C@@H](NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000892653051 1187885638 /nfs/dbraw/zinc/88/56/38/1187885638.db2.gz FZOVRIOCHPWZGJ-KGLIPLIRSA-N 0 3 389.518 0.479 20 0 GCADHN Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659111039 1187885666 /nfs/dbraw/zinc/88/56/66/1187885666.db2.gz XYSXXLDXGRDDAB-UHFFFAOYSA-N 0 3 387.444 0.906 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)n1 ZINC000659110313 1187886906 /nfs/dbraw/zinc/88/69/06/1187886906.db2.gz AYZWOUJGRARCCW-UHFFFAOYSA-N 0 3 389.387 0.824 20 0 GCADHN COc1cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(C)c(OC)c1 ZINC000659110729 1187886921 /nfs/dbraw/zinc/88/69/21/1187886921.db2.gz RMSJKVDVUFQAFP-UHFFFAOYSA-N 0 3 375.385 0.221 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccc(OCC(F)F)cc2)n1 ZINC000659110414 1187887506 /nfs/dbraw/zinc/88/75/06/1187887506.db2.gz GWBGFDCJENTUED-UHFFFAOYSA-N 0 3 381.339 0.540 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2C[C@@H]3CCCN3c3ccccc32)n1 ZINC000659113901 1187890373 /nfs/dbraw/zinc/89/03/73/1187890373.db2.gz YYQGBXDFAQAYGS-ZDUSSCGKSA-N 0 3 382.424 0.273 20 0 GCADHN CCCN(C(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1)[C@H]1CCN(C)C1 ZINC000647568662 1187894816 /nfs/dbraw/zinc/89/48/16/1187894816.db2.gz QVWPMBVUWXFLIK-MSOLQXFVSA-N 0 3 380.533 0.500 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C2CCC2)CC1 ZINC000647575841 1187897952 /nfs/dbraw/zinc/89/79/52/1187897952.db2.gz NANOHDVCRLCSRO-ROUUACIJSA-N 0 3 390.528 0.933 20 0 GCADHN CC(C)(CNC(=O)C(=O)NC[C@@H](n1cncn1)C(F)(F)F)N1CCCCC1 ZINC000636460518 1187911529 /nfs/dbraw/zinc/91/15/29/1187911529.db2.gz LDLNGULYDRALQF-GFCCVEGCSA-N 0 3 390.410 0.878 20 0 GCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)CCn3cnccc3=O)c2)CC1 ZINC000431833264 1187921701 /nfs/dbraw/zinc/92/17/01/1187921701.db2.gz SGYMHFIDVRDQGO-UHFFFAOYSA-N 0 3 383.452 0.969 20 0 GCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000642958487 1187922750 /nfs/dbraw/zinc/92/27/50/1187922750.db2.gz DCXUGSQQCPFATK-OCCSQVGLSA-N 0 3 379.457 0.891 20 0 GCADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000588258627 1187927729 /nfs/dbraw/zinc/92/77/29/1187927729.db2.gz WPCZICQUMHBMBJ-UZLBHIALSA-N 0 3 397.516 0.795 20 0 GCADHN O=C(C(=O)N1CCN(CC2CCOCC2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000659345127 1187945442 /nfs/dbraw/zinc/94/54/42/1187945442.db2.gz BOVIMOIDKYZOAX-IBGZPJMESA-N 0 3 392.544 0.644 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)n1 ZINC000659428905 1187956680 /nfs/dbraw/zinc/95/66/80/1187956680.db2.gz JMBYFVPLLVMZHS-INIZCTEOSA-N 0 3 386.456 0.514 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H](c2ccccc2)N2CCOCC2)n1 ZINC000659434291 1187957317 /nfs/dbraw/zinc/95/73/17/1187957317.db2.gz IVJNJFQUVMIKET-MRXNPFEDSA-N 0 3 386.456 0.514 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O ZINC000647651471 1187957707 /nfs/dbraw/zinc/95/77/07/1187957707.db2.gz NOBNBOQTRDJBSX-JZXOWHBKSA-N 0 3 397.541 0.965 20 0 GCADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659442731 1187959128 /nfs/dbraw/zinc/95/91/28/1187959128.db2.gz SOGCGKYEHGISPU-SNVBAGLBSA-N 0 3 394.457 0.109 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)NC[C@H]3CNCCO3)CC2)c(OC)c1 ZINC000584519749 1187960397 /nfs/dbraw/zinc/96/03/97/1187960397.db2.gz VEVBQQYXCOQKGZ-OAHLLOKOSA-N 0 3 392.456 0.160 20 0 GCADHN COCCN(C)CCNC(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000892686926 1187960853 /nfs/dbraw/zinc/96/08/53/1187960853.db2.gz FXUCGFNYKDPQQZ-UHFFFAOYSA-N 0 3 384.502 0.968 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCNc2nccc(C(F)(F)F)n2)n1 ZINC000659458192 1187961518 /nfs/dbraw/zinc/96/15/18/1187961518.db2.gz PZKFUCJQQQKWLJ-UHFFFAOYSA-N 0 3 386.338 0.361 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 ZINC000659474230 1187963408 /nfs/dbraw/zinc/96/34/08/1187963408.db2.gz BSPXDAMWFRIGTM-CYBMUJFWSA-N 0 3 388.403 0.775 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCOc2cccc(C(F)(F)F)n2)n1 ZINC000659473837 1187963557 /nfs/dbraw/zinc/96/35/57/1187963557.db2.gz OBLPSANNEZOYLS-UHFFFAOYSA-N 0 3 386.334 0.933 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)n1 ZINC000659485418 1187964838 /nfs/dbraw/zinc/96/48/38/1187964838.db2.gz HLEJDCPQQYWFGF-UHFFFAOYSA-N 0 3 376.383 0.714 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(C2)OCc2ccccc23)CCO1 ZINC000659521474 1187968055 /nfs/dbraw/zinc/96/80/55/1187968055.db2.gz MUAHTIJAUIQDAJ-DYESRHJHSA-N 0 3 387.480 0.824 20 0 GCADHN CC(=O)NCCN(C(=O)NC[C@H](C)CN1CCN(C)CC1)C1CCSCC1 ZINC000549109663 1187969501 /nfs/dbraw/zinc/96/95/01/1187969501.db2.gz XXXSUDXMHCDBHS-INIZCTEOSA-N 0 3 399.605 0.913 20 0 GCADHN CC1(C)CCN(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000973502712 1187974604 /nfs/dbraw/zinc/97/46/04/1187974604.db2.gz JAXYQBGRRQTKSP-IQWQSGHPSA-N 0 3 379.501 0.533 20 0 GCADHN Cc1nccnc1CNCC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104674556 1187976653 /nfs/dbraw/zinc/97/66/53/1187976653.db2.gz QGOVUWUBEZKLNK-QIJZBDPFSA-N 0 3 375.473 0.392 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)n1 ZINC000659629449 1187977663 /nfs/dbraw/zinc/97/76/63/1187977663.db2.gz SRFLGBYSHWNAAQ-SJORKVTESA-N 0 3 398.467 0.436 20 0 GCADHN CC(C)N(CC(=O)N1CCCCCC1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659628957 1187977872 /nfs/dbraw/zinc/97/78/72/1187977872.db2.gz AOADSXZHHZSFPG-UHFFFAOYSA-N 0 3 378.477 0.964 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)n1 ZINC000659629388 1187978032 /nfs/dbraw/zinc/97/80/32/1187978032.db2.gz GDVDZOOOJIGIQK-GFCCVEGCSA-N 0 3 376.392 0.928 20 0 GCADHN COc1cc(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)ccc1F ZINC000659630765 1187978297 /nfs/dbraw/zinc/97/82/97/1187978297.db2.gz UVNVXQFRGZDMST-UHFFFAOYSA-N 0 3 390.419 0.820 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)n1 ZINC000659632829 1187979270 /nfs/dbraw/zinc/97/92/70/1187979270.db2.gz ITRYRGOZAGXDSI-UHFFFAOYSA-N 0 3 390.488 0.965 20 0 GCADHN Cc1ccc(CC(=O)N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)cc1 ZINC000659633813 1187979645 /nfs/dbraw/zinc/97/96/45/1187979645.db2.gz ZBLICPNUVYMJEU-UHFFFAOYSA-N 0 3 398.467 0.546 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1CCNCC(=O)Nc1ccon1 ZINC001104685442 1187983560 /nfs/dbraw/zinc/98/35/60/1187983560.db2.gz JQAPVDKHQJZWMD-APIJFGDWSA-N 0 3 391.472 0.589 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNCC(=O)Nc1nccs1 ZINC001104686683 1187984363 /nfs/dbraw/zinc/98/43/63/1187984363.db2.gz LKUNCKZZSNSWEV-LPWJVIDDSA-N 0 3 379.486 0.277 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNCC(=O)Nc1ccccc1F ZINC001104683914 1187985899 /nfs/dbraw/zinc/98/58/99/1187985899.db2.gz UJZAYRRHWIZGGF-TUVASFSCSA-N 0 3 390.459 0.960 20 0 GCADHN CC[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1cccc(F)c1 ZINC000659679833 1187993272 /nfs/dbraw/zinc/99/32/72/1187993272.db2.gz PLYLPJOEAVEAKS-CYBMUJFWSA-N 0 3 391.403 0.370 20 0 GCADHN Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659680296 1187993370 /nfs/dbraw/zinc/99/33/70/1187993370.db2.gz MBSSVPCHVXAFKK-ZDUSSCGKSA-N 0 3 387.440 0.458 20 0 GCADHN CC(C)COc1ccccc1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659674710 1187993837 /nfs/dbraw/zinc/99/38/37/1187993837.db2.gz OQPSKKDGNIMHDQ-UHFFFAOYSA-N 0 3 387.440 0.608 20 0 GCADHN CCC(CC)[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCO1 ZINC000659676150 1187994344 /nfs/dbraw/zinc/99/43/44/1187994344.db2.gz FEFNMUIOJUNGGD-JSGCOSHPSA-N 0 3 379.461 0.357 20 0 GCADHN CC(C)COc1cccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659684410 1187995615 /nfs/dbraw/zinc/99/56/15/1187995615.db2.gz HCIQDPUCHHRYCG-UHFFFAOYSA-N 0 3 387.440 0.608 20 0 GCADHN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN ZINC000659684370 1187995942 /nfs/dbraw/zinc/99/59/42/1187995942.db2.gz HPXNQDROJMAPEI-PMPSAXMXSA-N 0 3 395.525 0.941 20 0 GCADHN Cc1cc([C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C2CC2)ccc1F ZINC000659687188 1187997754 /nfs/dbraw/zinc/99/77/54/1187997754.db2.gz GFTCTNWGQOUBBZ-KRWDZBQOSA-N 0 3 387.415 0.972 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccccc2OC(F)(F)F)n1 ZINC000659683073 1187999653 /nfs/dbraw/zinc/99/96/53/1187999653.db2.gz LUWUCKUFRKCQTE-UHFFFAOYSA-N 0 3 399.329 0.472 20 0 GCADHN CCCCO[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(C)C ZINC000659692564 1187999900 /nfs/dbraw/zinc/99/99/00/1187999900.db2.gz SMKYGMVINSSFSU-QWHCGFSZSA-N 0 3 379.461 0.357 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc(N2CCCC2)c1 ZINC000659692473 1188000075 /nfs/dbraw/zinc/00/00/75/1188000075.db2.gz DHVUUEXZGGHGFJ-CYBMUJFWSA-N 0 3 398.467 0.735 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000659692960 1188000895 /nfs/dbraw/zinc/00/08/95/1188000895.db2.gz BVYFCENDJZPVLR-JSGCOSHPSA-N 0 3 387.415 0.849 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000659693206 1188000934 /nfs/dbraw/zinc/00/09/34/1188000934.db2.gz DAVKTDSWZQLRHC-HUUCEWRRSA-N 0 3 383.452 0.785 20 0 GCADHN CCCOc1ccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(C)c1 ZINC000659697235 1188001744 /nfs/dbraw/zinc/00/17/44/1188001744.db2.gz RTVYBTNTLRJBNW-UHFFFAOYSA-N 0 3 387.440 0.671 20 0 GCADHN CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659697433 1188001763 /nfs/dbraw/zinc/00/17/63/1188001763.db2.gz GVCOADHIJYHTRT-LBPRGKRZSA-N 0 3 387.440 0.922 20 0 GCADHN COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659703854 1188005616 /nfs/dbraw/zinc/00/56/16/1188005616.db2.gz ISSYVBMDQAYGKQ-SECBINFHSA-N 0 3 377.376 0.282 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccnc1N1CCCC1 ZINC000659717542 1188006560 /nfs/dbraw/zinc/00/65/60/1188006560.db2.gz IOVVKRWDRTXHGM-DZGCQCFKSA-N 0 3 375.473 0.527 20 0 GCADHN CN(CCc1ccccn1)C(=O)CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892705345 1188008102 /nfs/dbraw/zinc/00/81/02/1188008102.db2.gz NSGRZSODCBQNHT-MSOLQXFVSA-N 0 3 389.500 0.323 20 0 GCADHN CN(CCc1ccccn1)C(=O)CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892705347 1188008422 /nfs/dbraw/zinc/00/84/22/1188008422.db2.gz NSGRZSODCBQNHT-QZTJIDSGSA-N 0 3 389.500 0.323 20 0 GCADHN CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415309076 1188029778 /nfs/dbraw/zinc/02/97/78/1188029778.db2.gz MESOSPUQYYIMQG-UHFFFAOYSA-N 0 3 382.486 0.525 20 0 GCADHN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)N1CCCNCC1 ZINC000415319169 1188030566 /nfs/dbraw/zinc/03/05/66/1188030566.db2.gz NZXSKOADALBEBZ-UHFFFAOYSA-N 0 3 390.509 0.944 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000377479935 1188032039 /nfs/dbraw/zinc/03/20/39/1188032039.db2.gz ZHAYGYQKOORLTF-KRWDZBQOSA-N 0 3 379.482 0.816 20 0 GCADHN O=C(Nc1ccc(Cl)c(CN2CCOCC2)c1)C(=O)N1CCCNCC1 ZINC000415330383 1188042197 /nfs/dbraw/zinc/04/21/97/1188042197.db2.gz YTKNVPMDWSVHLE-UHFFFAOYSA-N 0 3 380.876 0.933 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001025761564 1188044553 /nfs/dbraw/zinc/04/45/53/1188044553.db2.gz MSZZPYTWYFNUPT-SJQORLFUSA-N 0 3 387.480 0.617 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1)N1CCCC1 ZINC001025766355 1188051996 /nfs/dbraw/zinc/05/19/96/1188051996.db2.gz SMRPIOUBIUHZIN-KLHDSHLOSA-N 0 3 375.469 0.945 20 0 GCADHN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377513570 1188060468 /nfs/dbraw/zinc/06/04/68/1188060468.db2.gz UPOBXQGTTFKEFH-GJZGRUSLSA-N 0 3 386.452 0.731 20 0 GCADHN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377513571 1188060715 /nfs/dbraw/zinc/06/07/15/1188060715.db2.gz UPOBXQGTTFKEFH-HUUCEWRRSA-N 0 3 386.452 0.731 20 0 GCADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC000415418288 1188074836 /nfs/dbraw/zinc/07/48/36/1188074836.db2.gz RKTPZJGPAKQXPQ-HNNXBMFYSA-N 0 3 389.500 0.596 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377580885 1188080364 /nfs/dbraw/zinc/08/03/64/1188080364.db2.gz JHCWRXQMWNRPST-JKSUJKDBSA-N 0 3 396.513 0.599 20 0 GCADHN O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377581351 1188080561 /nfs/dbraw/zinc/08/05/61/1188080561.db2.gz DNEQXZRZXZZIEU-HNNXBMFYSA-N 0 3 396.488 0.386 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000377582593 1188081228 /nfs/dbraw/zinc/08/12/28/1188081228.db2.gz OAOIQJJSLNZZOW-JKSUJKDBSA-N 0 3 390.440 0.574 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCc2cnc(N3CCOCC3)c(F)c2)C[C@H](C)O1 ZINC000644623406 1188095680 /nfs/dbraw/zinc/09/56/80/1188095680.db2.gz YXNLCOUXTHPGLN-HLLBOEOZSA-N 0 3 382.480 0.617 20 0 GCADHN CNS(=O)(=O)c1ccc(CN2C[C@@H](C(=O)NCCOC)CC[C@H]2C)cc1 ZINC000659855287 1188097209 /nfs/dbraw/zinc/09/72/09/1188097209.db2.gz CBPOZIZEQKPZTQ-ZBFHGGJFSA-N 0 3 383.514 0.958 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000460647346 1188114167 /nfs/dbraw/zinc/11/41/67/1188114167.db2.gz MVLOENBDDPVCIM-QZTJIDSGSA-N 0 3 397.564 0.681 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000377720232 1188116793 /nfs/dbraw/zinc/11/67/93/1188116793.db2.gz CNJNZQCPNLFAGG-IAGOWNOFSA-N 0 3 386.452 0.731 20 0 GCADHN Cc1c(NC(=O)NC[C@@H]2CNCCO2)nnn1CCOc1ccc(F)cc1 ZINC000415684131 1188139552 /nfs/dbraw/zinc/13/95/52/1188139552.db2.gz XDOAXCHODXRGIR-HNNXBMFYSA-N 0 3 378.408 0.915 20 0 GCADHN Cn1nc(NC(=O)C(=O)NC[C@@H]2NCCc3ccccc32)cc1OC(F)F ZINC000415706844 1188145330 /nfs/dbraw/zinc/14/53/30/1188145330.db2.gz JEKSAEAYCXJVFI-LBPRGKRZSA-N 0 3 379.367 0.963 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000415709284 1188146354 /nfs/dbraw/zinc/14/63/54/1188146354.db2.gz MQCVWZUSMAHPRZ-OAHLLOKOSA-N 0 3 385.424 0.539 20 0 GCADHN CC(C)(C)OC(=O)NCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728715119 1188146613 /nfs/dbraw/zinc/14/66/13/1188146613.db2.gz JGGKSXUDMGGWSC-UHFFFAOYSA-N 0 3 383.493 0.461 20 0 GCADHN CN(C)CCN1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)CC1=O ZINC000651141038 1188162293 /nfs/dbraw/zinc/16/22/93/1188162293.db2.gz FUVPKXJMOMUTLN-NVXWUHKLSA-N 0 3 375.473 0.717 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H](N)c1ccccc1CC ZINC000415837360 1189376351 /nfs/dbraw/zinc/37/63/51/1189376351.db2.gz KNHANKILBOOVOS-HNNXBMFYSA-N 0 3 387.440 0.914 20 0 GCADHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000415843978 1189378503 /nfs/dbraw/zinc/37/85/03/1189378503.db2.gz QMKKHAFHGGCNQN-QGZVFWFLSA-N 0 3 384.436 0.868 20 0 GCADHN COC(=O)c1c(NC(=O)C(=O)NC[C@@H]2CNCCO2)sc2c1CCCCC2 ZINC000415859891 1189384140 /nfs/dbraw/zinc/38/41/40/1189384140.db2.gz HASVNAVNXGGDQO-NSHDSACASA-N 0 3 395.481 0.847 20 0 GCADHN COC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415857071 1189386841 /nfs/dbraw/zinc/38/68/41/1189386841.db2.gz CCNPCNIMPCGNEK-LBPRGKRZSA-N 0 3 383.470 0.776 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1=O ZINC000377949380 1189386967 /nfs/dbraw/zinc/38/69/67/1189386967.db2.gz JMNUDEKNDHXKIE-CYBMUJFWSA-N 0 3 394.501 0.125 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000584543465 1189387055 /nfs/dbraw/zinc/38/70/55/1189387055.db2.gz LEGJSOCRYGZAQB-SFHVURJKSA-N 0 3 396.495 0.414 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000415858406 1189387334 /nfs/dbraw/zinc/38/73/34/1189387334.db2.gz FDHOPYBUKOPVNT-ZDUSSCGKSA-N 0 3 397.357 0.934 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NC[C@H]2CNCCO2)C[C@H](C)O1 ZINC000415866736 1189388190 /nfs/dbraw/zinc/38/81/90/1189388190.db2.gz OPONSVJUOODQCH-HLLBOEOZSA-N 0 3 390.484 0.339 20 0 GCADHN CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)NC[C@@H]2CNCCO2)n1 ZINC000415867431 1189389376 /nfs/dbraw/zinc/38/93/76/1189389376.db2.gz PDIAYRVXXVTDEP-NSHDSACASA-N 0 3 393.831 0.996 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000415869951 1189389959 /nfs/dbraw/zinc/38/99/59/1189389959.db2.gz RRIWDONEYZOHNM-ZIAGYGMSSA-N 0 3 397.859 0.941 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000415864489 1189390760 /nfs/dbraw/zinc/39/07/60/1189390760.db2.gz MIGWFBMEWAAKEM-QGZVFWFLSA-N 0 3 383.452 0.930 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 ZINC000377956208 1189391675 /nfs/dbraw/zinc/39/16/75/1189391675.db2.gz RMUQJSYUWYKYSJ-UHFFFAOYSA-N 0 3 399.499 1.415 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000415872233 1189392942 /nfs/dbraw/zinc/39/29/42/1189392942.db2.gz WFBYCNYPSIZUDY-GFCCVEGCSA-N 0 3 397.357 0.934 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000415871935 1189393609 /nfs/dbraw/zinc/39/36/09/1189393609.db2.gz VNAJYPGTFVWPDO-CYBMUJFWSA-N 0 3 398.916 0.936 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000472917440 1189393862 /nfs/dbraw/zinc/39/38/62/1189393862.db2.gz WKZGKRRVKBVPIV-MRXNPFEDSA-N 0 3 393.536 0.096 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000472927345 1189403384 /nfs/dbraw/zinc/40/33/84/1189403384.db2.gz XHCTUWAFHFZOKU-SJORKVTESA-N 0 3 394.564 0.007 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)C2)CC1 ZINC000378111226 1189416629 /nfs/dbraw/zinc/41/66/29/1189416629.db2.gz MQKISUHKYZPADX-INIZCTEOSA-N 0 3 399.495 0.729 20 0 GCADHN COCCO[C@@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000511536990 1189417509 /nfs/dbraw/zinc/41/75/09/1189417509.db2.gz FVWOSSVLPLHFKK-SJORKVTESA-N 0 3 384.521 0.766 20 0 GCADHN NS(=O)(=O)c1ccc(F)c(CNC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000651296942 1189418493 /nfs/dbraw/zinc/41/84/93/1189418493.db2.gz RSUUTEIDZUWQJP-ZDUSSCGKSA-N 0 3 388.465 0.119 20 0 GCADHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000112550989 1189423326 /nfs/dbraw/zinc/42/33/26/1189423326.db2.gz NKRURUWDFRLLFZ-BFHYXJOUSA-N 0 3 383.518 0.169 20 0 GCADHN C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1 ZINC000041307543 1189429181 /nfs/dbraw/zinc/42/91/81/1189429181.db2.gz PQCFKVCWVVFQQU-OAHLLOKOSA-N 0 3 381.498 0.922 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000378168684 1189433203 /nfs/dbraw/zinc/43/32/03/1189433203.db2.gz MAOOLEZBRVMUAO-HZPDHXFCSA-N 0 3 388.534 0.307 20 0 GCADHN CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H](C)CN2CCN(C)CC2)CC1 ZINC000106582108 1189434714 /nfs/dbraw/zinc/43/47/14/1189434714.db2.gz LBXGMOUJOIEDNE-GOSISDBHSA-N 0 3 396.580 0.208 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000511537828 1189437686 /nfs/dbraw/zinc/43/76/86/1189437686.db2.gz IGAZGYKTADYVRU-PMPSAXMXSA-N 0 3 379.505 0.382 20 0 GCADHN CC(=O)N1Cc2ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc2C1 ZINC000659903813 1189438158 /nfs/dbraw/zinc/43/81/58/1189438158.db2.gz DWFPZYPLCHYPNT-UHFFFAOYSA-N 0 3 382.530 0.663 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)N1CCCC1 ZINC000041598154 1189452537 /nfs/dbraw/zinc/45/25/37/1189452537.db2.gz SQMLHWARKCJNNO-OAHLLOKOSA-N 0 3 388.468 0.698 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)N1CCCC[C@@H]1C ZINC000041644612 1189456789 /nfs/dbraw/zinc/45/67/89/1189456789.db2.gz IRUFDDAEMRUZTE-KBPBESRZSA-N 0 3 376.457 0.868 20 0 GCADHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000378305941 1189468587 /nfs/dbraw/zinc/46/85/87/1189468587.db2.gz KPDRPCNKXYCNRT-YOEHRIQHSA-N 0 3 380.514 0.504 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000274373340 1189471883 /nfs/dbraw/zinc/47/18/83/1189471883.db2.gz BNROTWRHNBDBLE-UHFFFAOYSA-N 0 3 384.502 0.357 20 0 GCADHN CCOc1ccc(C[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C(=O)OC)cc1 ZINC000378310545 1189473067 /nfs/dbraw/zinc/47/30/67/1189473067.db2.gz CTXZSFOIWHSEQG-MJGOQNOKSA-N 0 3 389.496 0.923 20 0 GCADHN Cc1ccc(NC(=O)[C@H]2CN3CCN2CCC3)cc1N1CCCS1(=O)=O ZINC000378321023 1189474609 /nfs/dbraw/zinc/47/46/09/1189474609.db2.gz WFNRIQIKVBTVCT-QGZVFWFLSA-N 0 3 378.498 0.863 20 0 GCADHN CC1(C)NC(=O)N(CCCN2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1=O ZINC000378375280 1189492542 /nfs/dbraw/zinc/49/25/42/1189492542.db2.gz FXQVTKMHJYWLSG-UHFFFAOYSA-N 0 3 389.456 0.744 20 0 GCADHN Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)C2)cn1 ZINC000893218447 1189493025 /nfs/dbraw/zinc/49/30/25/1189493025.db2.gz BXQFVQGNUJSPJR-JQHSSLGASA-N 0 3 376.505 0.630 20 0 GCADHN COc1ccccc1CNC(=O)[C@H](C)N1CCC(O)(CN2CCOCC2)CC1 ZINC000378425511 1189504240 /nfs/dbraw/zinc/50/42/40/1189504240.db2.gz FTINUVJVXNAZFY-KRWDZBQOSA-N 0 3 391.512 0.859 20 0 GCADHN C[C@@H](CNC(=O)NC[C@]1(c2cnn(C)c2)CCCO1)CN1CCN(C)CC1 ZINC000893235989 1189505169 /nfs/dbraw/zinc/50/51/69/1189505169.db2.gz CPHLTUFTASHTAR-LPHOPBHVSA-N 0 3 378.521 0.609 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCO[C@@H](c3ccnn3C)C2)CC1 ZINC000893238532 1189507881 /nfs/dbraw/zinc/50/78/81/1189507881.db2.gz NMYIRQZJXSPBPK-SJLPKXTDSA-N 0 3 378.521 0.777 20 0 GCADHN Cc1csc2ncc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)c(=O)n12 ZINC000378461216 1189511921 /nfs/dbraw/zinc/51/19/21/1189511921.db2.gz VZMLJQWJZVUUGO-CQSZACIVSA-N 0 3 389.481 0.443 20 0 GCADHN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000363835645 1189513066 /nfs/dbraw/zinc/51/30/66/1189513066.db2.gz YWLMSESCTDLZMI-JKSUJKDBSA-N 0 3 398.467 0.802 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)N2)cc1)[C@@H]1CCCN(C)C1 ZINC000651381993 1189515839 /nfs/dbraw/zinc/51/58/39/1189515839.db2.gz WKCMTGFFQTZIDK-HZPDHXFCSA-N 0 3 394.497 0.483 20 0 GCADHN C[C@@H]1CCSCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000660001188 1189519721 /nfs/dbraw/zinc/51/97/21/1189519721.db2.gz AEWGKYUHAPFBJL-HUUCEWRRSA-N 0 3 382.530 0.105 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1(C)C ZINC000584568773 1189523938 /nfs/dbraw/zinc/52/39/38/1189523938.db2.gz LPMKNNXUNKZXLH-UHFFFAOYSA-N 0 3 385.472 0.348 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000416493151 1189533042 /nfs/dbraw/zinc/53/30/42/1189533042.db2.gz CUCOIUWZQYIEBM-AWEZNQCLSA-N 0 3 379.482 0.934 20 0 GCADHN Cn1c2ncn(CCN3CCC(n4cc(Cl)cn4)CC3)c2c(=O)n(C)c1=O ZINC000378585606 1189542329 /nfs/dbraw/zinc/54/23/29/1189542329.db2.gz DBZAUCHRZBVMEG-UHFFFAOYSA-N 0 3 391.863 0.621 20 0 GCADHN C[C@H](O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C1 ZINC000893259640 1189551231 /nfs/dbraw/zinc/55/12/31/1189551231.db2.gz UBKVXSDLCJKQLV-CVEARBPZSA-N 0 3 383.514 0.599 20 0 GCADHN Cc1cc2ncn(C[C@@H](O)CN(CCO)CCN3CCOCC3)c2cc1C ZINC000086168819 1189553619 /nfs/dbraw/zinc/55/36/19/1189553619.db2.gz RXHJNGBOTBQMMF-SFHVURJKSA-N 0 3 376.501 0.641 20 0 GCADHN CC[C@@H]1OCC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000584575706 1189560702 /nfs/dbraw/zinc/56/07/02/1189560702.db2.gz FLSATIRTCLXGDF-SJORKVTESA-N 0 3 397.497 0.803 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCO1 ZINC000660080691 1189578458 /nfs/dbraw/zinc/57/84/58/1189578458.db2.gz LKWZEWWZYJYVJO-MSOLQXFVSA-N 0 3 375.469 0.593 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)C2=O)n1 ZINC000893275230 1189583938 /nfs/dbraw/zinc/58/39/38/1189583938.db2.gz MAICFZRRVGXTBG-ARFHVFGLSA-N 0 3 390.488 0.156 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000363942289 1189584659 /nfs/dbraw/zinc/58/46/59/1189584659.db2.gz UQAVEJXAVVQLGW-MRXNPFEDSA-N 0 3 391.516 0.478 20 0 GCADHN CC(C)CCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000583452313 1189590791 /nfs/dbraw/zinc/59/07/91/1189590791.db2.gz BODDVMNKRQZZCS-DOTOQJQBSA-N 0 3 388.468 0.820 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000974224860 1189599214 /nfs/dbraw/zinc/59/92/14/1189599214.db2.gz ROEDCBGBIGTDQE-MCEUPANISA-N 0 3 379.501 0.676 20 0 GCADHN COC(=O)c1cn([C@@H]2CCCN(C(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)C2)nn1 ZINC000364014792 1189614817 /nfs/dbraw/zinc/61/48/17/1189614817.db2.gz POPGNQGNBQMOMA-CFVMTHIKSA-N 0 3 376.461 0.894 20 0 GCADHN COc1ccccc1-n1c(C)nnc1SCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000584663582 1189617078 /nfs/dbraw/zinc/61/70/78/1189617078.db2.gz GNLWWCADZSYAMC-GJZGRUSLSA-N 0 3 391.497 0.810 20 0 GCADHN O=C(Cn1cccnc1=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000364038990 1189626470 /nfs/dbraw/zinc/62/64/70/1189626470.db2.gz QMNMGWHQLUTOMH-SFHVURJKSA-N 0 3 396.495 0.699 20 0 GCADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000186966996 1189628461 /nfs/dbraw/zinc/62/84/61/1189628461.db2.gz MWMQAWMWHCAHGD-SFHVURJKSA-N 0 3 389.544 0.897 20 0 GCADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000186966973 1189628855 /nfs/dbraw/zinc/62/88/55/1189628855.db2.gz MWMQAWMWHCAHGD-GOSISDBHSA-N 0 3 389.544 0.897 20 0 GCADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1C[C@@H](O)C[C@@H]1CO ZINC000364048099 1189630229 /nfs/dbraw/zinc/63/02/29/1189630229.db2.gz NPEBYEIQJZNIME-UXHICEINSA-N 0 3 390.528 0.722 20 0 GCADHN CC[C@H](NC(=O)NC[C@@H]1CNCCO1)c1ccccc1OCC(=O)N(C)C ZINC000417190372 1189630996 /nfs/dbraw/zinc/63/09/96/1189630996.db2.gz XGLZPISDAJGPCQ-HOCLYGCPSA-N 0 3 378.473 0.892 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000417273717 1189637101 /nfs/dbraw/zinc/63/71/01/1189637101.db2.gz XVNSGVPFWWTKSA-OAHLLOKOSA-N 0 3 384.502 0.503 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Cl ZINC000584732677 1189642255 /nfs/dbraw/zinc/64/22/55/1189642255.db2.gz RHZIQDMLRIHGJJ-AAEUAGOBSA-N 0 3 393.831 0.007 20 0 GCADHN COc1ccc2ccccc2c1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584731003 1189642875 /nfs/dbraw/zinc/64/28/75/1189642875.db2.gz DJIJIJSZTJQUDH-RHSMWYFYSA-N 0 3 396.447 0.235 20 0 GCADHN O=C(NCc1cccc(OCCN2CCOCC2)c1)NC[C@@H]1CNCCO1 ZINC000417297163 1189642996 /nfs/dbraw/zinc/64/29/96/1189642996.db2.gz NSEJDJCLQVQCAZ-SFHVURJKSA-N 0 3 378.473 0.185 20 0 GCADHN Cn1nccc1-c1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1 ZINC000417334837 1189648959 /nfs/dbraw/zinc/64/89/59/1189648959.db2.gz FXSGPDSQNNNDCG-UHFFFAOYSA-N 0 3 398.471 0.649 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCn3c(nnc3C3CCCC3)C2)n1 ZINC000584753068 1189652579 /nfs/dbraw/zinc/65/25/79/1189652579.db2.gz PSTSFPOSZBADAT-UHFFFAOYSA-N 0 3 387.492 0.209 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C[C@H]2[NH3+])cn1 ZINC000584774852 1189658810 /nfs/dbraw/zinc/65/88/10/1189658810.db2.gz VLOYRGNHHSADDH-GVDBMIGSSA-N 0 3 383.452 0.684 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCN(C(C)=O)CC2)CC1 ZINC000584785287 1189663725 /nfs/dbraw/zinc/66/37/25/1189663725.db2.gz FSKIRIZAQINQML-UHFFFAOYSA-N 0 3 382.505 0.073 20 0 GCADHN Cc1nc(S(=O)(=O)NCCC(=O)NCCN(C)Cc2ccccc2)cn1C ZINC000511628684 1189668616 /nfs/dbraw/zinc/66/86/16/1189668616.db2.gz NSBTYGPIVHPJII-UHFFFAOYSA-N 0 3 393.513 0.645 20 0 GCADHN COC[C@@H]1CCCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000364130749 1189670621 /nfs/dbraw/zinc/67/06/21/1189670621.db2.gz XYTXAIWEANRUOX-MRXNPFEDSA-N 0 3 383.514 0.741 20 0 GCADHN Cc1c([C@H]2OCC[C@@H]2NCC(=O)NC[C@H]2CN(CC(C)C)CCO2)cnn1C ZINC000431955808 1189686626 /nfs/dbraw/zinc/68/66/26/1189686626.db2.gz AMXFCWHQHRTPAO-XKGZKEIXSA-N 0 3 393.532 0.621 20 0 GCADHN C[C@@]1(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCOC1 ZINC000584841681 1189688200 /nfs/dbraw/zinc/68/82/00/1189688200.db2.gz JXRCEAKBDDPAMK-NQIIRXRSSA-N 0 3 389.496 0.937 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1(c2ccccc2)CCCC1 ZINC000584850372 1189691720 /nfs/dbraw/zinc/69/17/20/1189691720.db2.gz UDWZJSJGKMXRDO-JQHSSLGASA-N 0 3 398.507 0.774 20 0 GCADHN COCCN(C)C[C@H](O)CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O ZINC000584849633 1189691796 /nfs/dbraw/zinc/69/17/96/1189691796.db2.gz IOOMKMMSFCEBDQ-BBRMVZONSA-N 0 3 389.374 0.935 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N(C)C ZINC000584850336 1189692285 /nfs/dbraw/zinc/69/22/85/1189692285.db2.gz OVTBKZMXYBNNEJ-BPUTZDHNSA-N 0 3 375.473 0.251 20 0 GCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CCSC3)c2)CC1 ZINC000473035389 1189704644 /nfs/dbraw/zinc/70/46/44/1189704644.db2.gz QEBXBWSEBUXOSE-INIZCTEOSA-N 0 3 390.509 0.944 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000660335819 1189715590 /nfs/dbraw/zinc/71/55/90/1189715590.db2.gz KNIBSOIKRDFSRO-INIZCTEOSA-N 0 3 396.513 0.647 20 0 GCADHN Cc1c(C(=O)NC[C@]2(O)CCO[C@@H]2C)nnn1-c1cccc2c1CCN(C)C2 ZINC000364261330 1189725481 /nfs/dbraw/zinc/72/54/81/1189725481.db2.gz LFDLTSQILJLDOQ-JLTOFOAXSA-N 0 3 385.468 0.833 20 0 GCADHN C[C@@]1(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCC[NH2+]C1 ZINC000418167282 1189730204 /nfs/dbraw/zinc/73/02/04/1189730204.db2.gz KBPUCDIJBOSZOK-MRXNPFEDSA-N 0 3 390.456 0.932 20 0 GCADHN C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000418163641 1189730947 /nfs/dbraw/zinc/73/09/47/1189730947.db2.gz GNUKLJDQOZDPMY-RYUDHWBXSA-N 0 3 390.456 0.930 20 0 GCADHN C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000418163642 1189731089 /nfs/dbraw/zinc/73/10/89/1189731089.db2.gz GNUKLJDQOZDPMY-VXGBXAGGSA-N 0 3 390.456 0.930 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NCC[C@@H]1CCC[NH2+]C1 ZINC000418170819 1189731751 /nfs/dbraw/zinc/73/17/51/1189731751.db2.gz NMTGOHWDMVUVMI-LBPRGKRZSA-N 0 3 390.456 0.932 20 0 GCADHN C[C@H](C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)n1nnc(-c2ccccc2)n1 ZINC000364297504 1189737147 /nfs/dbraw/zinc/73/71/47/1189737147.db2.gz SJRUUUVJCFUIIS-PBHICJAKSA-N 0 3 397.483 0.842 20 0 GCADHN C(Nc1nc(NC[C@@H]2CCCCO2)nc(N2CCOCC2)n1)[C@H]1CCCCO1 ZINC000500254385 1189747440 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O=C(CNC(=O)c1cccc(CN2CCOCC2)c1)NCCN1CCCCC1 ZINC000909326786 1189794051 /nfs/dbraw/zinc/79/40/51/1189794051.db2.gz XSALHFNSGBYSCB-UHFFFAOYSA-N 0 3 388.512 0.851 20 0 GCADHN O=C(CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)NCCN1CCCCC1 ZINC000909327509 1189796198 /nfs/dbraw/zinc/79/61/98/1189796198.db2.gz NYLQJOSIXTUQDQ-UHFFFAOYSA-N 0 3 397.479 0.624 20 0 GCADHN CS(=O)(=O)Cc1cccc(C(=O)NCC(=O)NCCN2CCCCC2)c1 ZINC000909328403 1189797710 /nfs/dbraw/zinc/79/77/10/1189797710.db2.gz VUZDNOMHQSZIAO-UHFFFAOYSA-N 0 3 381.498 0.563 20 0 GCADHN O=C(CCn1cnc2sccc2c1=O)NCC(=O)NCCN1CCCCC1 ZINC000909328689 1189797848 /nfs/dbraw/zinc/79/78/48/1189797848.db2.gz LRMIVSCMRVVBDN-UHFFFAOYSA-N 0 3 391.497 0.566 20 0 GCADHN COc1cc(C=O)ccc1OCC(=O)NCC(=O)NCCN1CCCCC1 ZINC000909328427 1189798248 /nfs/dbraw/zinc/79/82/48/1189798248.db2.gz WTXGXCODZUWKQZ-UHFFFAOYSA-N 0 3 377.441 0.605 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C[C@H](C)O1 ZINC000660470704 1189845056 /nfs/dbraw/zinc/84/50/56/1189845056.db2.gz 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CC1(C)CN(CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000975077029 1189917008 /nfs/dbraw/zinc/91/70/08/1189917008.db2.gz DBPSKRIUOGMZIR-APIJFGDWSA-N 0 3 378.473 0.322 20 0 GCADHN COCC1(NCC(=O)NCc2ccccc2CN2CCOCC2)CCOCC1 ZINC000660630467 1189919157 /nfs/dbraw/zinc/91/91/57/1189919157.db2.gz HCGWWUIZJVLEKM-UHFFFAOYSA-N 0 3 391.512 0.920 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)[C@@H]2C1 ZINC000975212674 1189926858 /nfs/dbraw/zinc/92/68/58/1189926858.db2.gz ZVGVYYNBCSEADT-WCXIOVBPSA-N 0 3 390.528 0.502 20 0 GCADHN COC(=O)c1csc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1C ZINC000613759008 1189932541 /nfs/dbraw/zinc/93/25/41/1189932541.db2.gz ZABRDVCMGXQTFN-GFCCVEGCSA-N 0 3 396.513 0.924 20 0 GCADHN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660713387 1189939496 /nfs/dbraw/zinc/93/94/96/1189939496.db2.gz RQSJMTKVBLASPP-STQMWFEESA-N 0 3 378.395 0.702 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000636662290 1189953990 /nfs/dbraw/zinc/95/39/90/1189953990.db2.gz MUGSFUGVSNQSST-NEPJUHHUSA-N 0 3 376.383 0.488 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000049280314 1189954449 /nfs/dbraw/zinc/95/44/49/1189954449.db2.gz GKCAWALUAZJPIX-UHFFFAOYSA-N 0 3 387.484 0.271 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000660853171 1189956159 /nfs/dbraw/zinc/95/61/59/1189956159.db2.gz RJXKNHLJOBQRGM-IAGOWNOFSA-N 0 3 381.521 0.045 20 0 GCADHN C[C@H](O)CN(C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[C@@H](C)CO ZINC000660884164 1189962897 /nfs/dbraw/zinc/96/28/97/1189962897.db2.gz KBFGISVATCGJQP-XYJFISCASA-N 0 3 377.485 0.310 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CN(C)C4CCC4)C[C@@H]32)O1 ZINC000975769538 1189975185 /nfs/dbraw/zinc/97/51/85/1189975185.db2.gz ZMGUQFVZNGOGBD-KCITZHQASA-N 0 3 392.544 0.639 20 0 GCADHN O=C(NCCNC(=O)c1ccn[nH]1)NCC1CCN(Cc2ccncc2)CC1 ZINC000661004105 1189979497 /nfs/dbraw/zinc/97/94/97/1189979497.db2.gz ANZINSCFRAOXGC-UHFFFAOYSA-N 0 3 385.472 0.746 20 0 GCADHN O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000647706412 1189994149 /nfs/dbraw/zinc/99/41/49/1189994149.db2.gz IXGUHZDXJBBVBK-DLBZAZTESA-N 0 3 379.482 0.508 20 0 GCADHN COCC1(CS(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)CCC1 ZINC000651739792 1190006767 /nfs/dbraw/zinc/00/67/67/1190006767.db2.gz GOBYVHFJTCHDPQ-UHFFFAOYSA-N 0 3 389.562 0.519 20 0 GCADHN COc1ccc(Cn2nnc(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)c2C)cc1 ZINC000662750400 1190016746 /nfs/dbraw/zinc/01/67/46/1190016746.db2.gz QOWUOESRAVIDFY-UHFFFAOYSA-N 0 3 383.412 0.528 20 0 GCADHN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662751481 1190017178 /nfs/dbraw/zinc/01/71/78/1190017178.db2.gz UGSRTFKJHBRAOF-SNVBAGLBSA-N 0 3 382.417 0.506 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCNC(=O)N2CCc3ccccc3C2)n1 ZINC000662751288 1190017357 /nfs/dbraw/zinc/01/73/57/1190017357.db2.gz YVZJGEGKGARSJZ-UHFFFAOYSA-N 0 3 384.440 0.415 20 0 GCADHN COc1nn(C)c2nc(C)c(CCC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)c(C)c12 ZINC000662752595 1190018130 /nfs/dbraw/zinc/01/81/30/1190018130.db2.gz RUPQUQQUHBTZLH-UHFFFAOYSA-N 0 3 399.455 0.797 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)n1 ZINC000662753386 1190018800 /nfs/dbraw/zinc/01/88/00/1190018800.db2.gz QEVFNGSYPQNYNE-NSHDSACASA-N 0 3 397.482 0.172 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000662751849 1190018810 /nfs/dbraw/zinc/01/88/10/1190018810.db2.gz VMWDXSLQYDVBPE-UHFFFAOYSA-N 0 3 398.467 0.386 20 0 GCADHN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662753095 1190019017 /nfs/dbraw/zinc/01/90/17/1190019017.db2.gz MNUYFBNBSAMSJY-UHFFFAOYSA-N 0 3 391.453 0.419 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662753574 1190019052 /nfs/dbraw/zinc/01/90/52/1190019052.db2.gz UIMPSRKLEVNHAZ-UHFFFAOYSA-N 0 3 393.469 0.601 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 ZINC000662753146 1190019195 /nfs/dbraw/zinc/01/91/95/1190019195.db2.gz OFBYGUAUQKEQIP-ZDUSSCGKSA-N 0 3 399.407 0.291 20 0 GCADHN Cc1c(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)nnn1-c1ccc2c(c1)OCCO2 ZINC000662752807 1190019246 /nfs/dbraw/zinc/01/92/46/1190019246.db2.gz KWKWXEABGWDBBV-UHFFFAOYSA-N 0 3 397.395 0.231 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000662753681 1190019336 /nfs/dbraw/zinc/01/93/36/1190019336.db2.gz VDZBYIQHVGGGEQ-CQSZACIVSA-N 0 3 399.451 0.575 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000661237377 1190019686 /nfs/dbraw/zinc/01/96/86/1190019686.db2.gz MPEWQPHJJVVNIQ-KSZLIROESA-N 0 3 378.517 0.252 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 ZINC000662754531 1190020203 /nfs/dbraw/zinc/02/02/03/1190020203.db2.gz QCJHKRFUHHIQIA-LLVKDONJSA-N 0 3 399.407 0.081 20 0 GCADHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000647708779 1190031658 /nfs/dbraw/zinc/03/16/58/1190031658.db2.gz NUXRWQSVYLSGOH-JKSUJKDBSA-N 0 3 393.509 0.717 20 0 GCADHN O=C(Cn1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cn1)NC1CCCCC1 ZINC000647709304 1190033852 /nfs/dbraw/zinc/03/38/52/1190033852.db2.gz UVJWPJFYGPGVPO-MSOLQXFVSA-N 0 3 389.500 0.613 20 0 GCADHN CC[C@H](O)CNC(=O)C(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000651818652 1190034589 /nfs/dbraw/zinc/03/45/89/1190034589.db2.gz ADFNLAGEXQRFPY-KRWDZBQOSA-N 0 3 392.500 0.529 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000647710200 1190039926 /nfs/dbraw/zinc/03/99/26/1190039926.db2.gz SOVUCJHUXUCBRI-CQSZACIVSA-N 0 3 375.404 0.198 20 0 GCADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2nn(C)c(C)c2CN)c1 ZINC000662834984 1190046446 /nfs/dbraw/zinc/04/64/46/1190046446.db2.gz FOVRUWMNBIMNQZ-UHFFFAOYSA-N 0 3 379.442 0.307 20 0 GCADHN C[C@H](CO)[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000661435302 1190048360 /nfs/dbraw/zinc/04/83/60/1190048360.db2.gz RCRRUCINJFERKV-SJORKVTESA-N 0 3 382.549 0.528 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000662879833 1190068656 /nfs/dbraw/zinc/06/86/56/1190068656.db2.gz PPCUMLUDUNVJSK-RDJZCZTQSA-N 0 3 396.513 0.519 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 ZINC000411023097 1193723478 /nfs/dbraw/zinc/72/34/78/1193723478.db2.gz QNMFGXBREBRYSS-ZACQAIPSSA-N 0 3 380.533 0.892 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000411032340 1193724447 /nfs/dbraw/zinc/72/44/47/1193724447.db2.gz LHJHGIKGRZBEPG-DOTOQJQBSA-N 0 3 377.489 0.174 20 0 GCADHN CNC(=O)c1ccc(CNC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000512642283 1193725735 /nfs/dbraw/zinc/72/57/35/1193725735.db2.gz NYQOZDURLIXRHB-UHFFFAOYSA-N 0 3 391.516 0.236 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000663917173 1193726821 /nfs/dbraw/zinc/72/68/21/1193726821.db2.gz UWLFWAGZNLKAFP-DLBZAZTESA-N 0 3 393.532 0.583 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC(C)(C)[C@]1(O)CCCOC1 ZINC000663916976 1193727121 /nfs/dbraw/zinc/72/71/21/1193727121.db2.gz UBKXSPKWRIAGNW-JXFKEZNVSA-N 0 3 398.548 0.796 20 0 GCADHN Cc1ccn2cc(CNC(=O)NCCCCN3CCN(CCO)CC3)nc2c1 ZINC000512666641 1193729374 /nfs/dbraw/zinc/72/93/74/1193729374.db2.gz LVOKWJFCWQOHNJ-UHFFFAOYSA-N 0 3 388.516 0.832 20 0 GCADHN CCN(CCNCC(=O)N(C)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268480520 1193730196 /nfs/dbraw/zinc/73/01/96/1193730196.db2.gz JAZINHBNOYUSEJ-ZACQAIPSSA-N 0 3 377.489 0.384 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000473468139 1193733831 /nfs/dbraw/zinc/73/38/31/1193733831.db2.gz CLKHCSRVAQCWNJ-INIZCTEOSA-N 0 3 384.484 0.953 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCN1CCNC(=O)C1 ZINC000512708587 1193738140 /nfs/dbraw/zinc/73/81/40/1193738140.db2.gz ULZJODGOVMULCV-UHFFFAOYSA-N 0 3 383.443 0.470 20 0 GCADHN O=c1c2ccccc2nc(N2CCN([C@@H]3CCNC(=O)CC3)CC2)n1CCO ZINC000894110417 1193741037 /nfs/dbraw/zinc/74/10/37/1193741037.db2.gz GLGABIXICQZHAQ-HNNXBMFYSA-N 0 3 385.468 0.180 20 0 GCADHN COc1cccc2c1OC[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C2 ZINC000663970858 1193742292 /nfs/dbraw/zinc/74/22/92/1193742292.db2.gz JVFOORQPSPQPLR-HNNXBMFYSA-N 0 3 378.473 0.660 20 0 GCADHN CC(=O)Nc1ccc(CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000663987154 1193747137 /nfs/dbraw/zinc/74/71/37/1193747137.db2.gz QKDUCTBNEGHYJB-UHFFFAOYSA-N 0 3 377.489 0.849 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)NCCn3cccc3)CC2)C[C@H](C)O1 ZINC000512737641 1193749557 /nfs/dbraw/zinc/74/95/57/1193749557.db2.gz ACXXQJZQLRISRJ-IRXDYDNUSA-N 0 3 376.501 0.952 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCCN1CCc2ccccc2C1)S(C)(=O)=O ZINC000571066149 1193750147 /nfs/dbraw/zinc/75/01/47/1193750147.db2.gz PBSAMXOGFKXLGE-CQSZACIVSA-N 0 3 381.498 0.100 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000419238547 1193751926 /nfs/dbraw/zinc/75/19/26/1193751926.db2.gz HDYJCRXPDDORJU-AWEZNQCLSA-N 0 3 381.423 0.997 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)N1CCc2ccccc2C1 ZINC000419240225 1193754611 /nfs/dbraw/zinc/75/46/11/1193754611.db2.gz QZNRBGGFRUYDEI-RLFYNMQTSA-N 0 3 388.512 0.779 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCN1CCCS1(=O)=O ZINC000248873747 1193761860 /nfs/dbraw/zinc/76/18/60/1193761860.db2.gz QWBHXIRLIOPKQM-NVXWUHKLSA-N 0 3 380.514 0.842 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)N1CCc2sccc2C1 ZINC000419247964 1193764671 /nfs/dbraw/zinc/76/46/71/1193764671.db2.gz XNQALBGZUDPBPN-YDHLFZDLSA-N 0 3 394.541 0.840 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000419270065 1193777755 /nfs/dbraw/zinc/77/77/55/1193777755.db2.gz COXAQKQGEDPNGA-WMLDXEAASA-N 0 3 385.468 0.777 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c(OC)c1OC ZINC000419274274 1193780829 /nfs/dbraw/zinc/78/08/29/1193780829.db2.gz ILVDTUPAXJDHEH-AAEUAGOBSA-N 0 3 395.456 0.558 20 0 GCADHN COCCOc1cccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000473484806 1193785407 /nfs/dbraw/zinc/78/54/07/1193785407.db2.gz SMYOAZKMFLIQOF-MRXNPFEDSA-N 0 3 392.500 0.793 20 0 GCADHN CCOC1CC2(C1)CCN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C2 ZINC000512846381 1193787997 /nfs/dbraw/zinc/78/79/97/1193787997.db2.gz ZSUUDWDEHXIJPC-UHFFFAOYSA-N 0 3 394.560 0.936 20 0 GCADHN CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc2)CC1 ZINC000509826755 1193789538 /nfs/dbraw/zinc/78/95/38/1193789538.db2.gz NQUNLKUWQWNVJJ-HNNXBMFYSA-N 0 3 389.500 0.356 20 0 GCADHN COc1nc(N2CCN(CCN(C)C)C(=O)C2)nc2c1cnn2C(C)(C)C ZINC000664061642 1193791138 /nfs/dbraw/zinc/79/11/38/1193791138.db2.gz XVMKMSPRUMKAKT-UHFFFAOYSA-N 0 3 375.477 0.800 20 0 GCADHN CCOC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000473486233 1193793955 /nfs/dbraw/zinc/79/39/55/1193793955.db2.gz CMTMZNANANSNOI-HNNXBMFYSA-N 0 3 390.484 0.944 20 0 GCADHN Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)nc1 ZINC000419302242 1193795709 /nfs/dbraw/zinc/79/57/09/1193795709.db2.gz POAFLFSLXOUAOK-ZBFHGGJFSA-N 0 3 389.500 0.704 20 0 GCADHN CC(C)NS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000419304318 1193796528 /nfs/dbraw/zinc/79/65/28/1193796528.db2.gz URRZRZVMLTYSNM-MRXNPFEDSA-N 0 3 398.529 0.370 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411965485 1193797476 /nfs/dbraw/zinc/79/74/76/1193797476.db2.gz AAOUJSMJHROQDM-UHTWSYAYSA-N 0 3 386.374 0.964 20 0 GCADHN COc1cccc(C(=O)N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)c1OC ZINC000429913649 1193798636 /nfs/dbraw/zinc/79/86/36/1193798636.db2.gz IKJIDMHPPGRLCJ-HNNXBMFYSA-N 0 3 391.468 0.757 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCCN(CC(F)(F)F)CC2)C1 ZINC000571304175 1193802619 /nfs/dbraw/zinc/80/26/19/1193802619.db2.gz CILQFHUPUVSCQL-AWEZNQCLSA-N 0 3 378.439 0.931 20 0 GCADHN COCCOCCc1ncc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)[nH]1 ZINC000512914167 1193805406 /nfs/dbraw/zinc/80/54/06/1193805406.db2.gz WAPICNSHWYHELI-INIZCTEOSA-N 0 3 380.489 0.800 20 0 GCADHN C[C@@H]1[C@@H](CO)CCCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000412065139 1193805467 /nfs/dbraw/zinc/80/54/67/1193805467.db2.gz CNGDCJTWQHHYTP-HUUCEWRRSA-N 0 3 387.488 0.105 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000433326287 1193809377 /nfs/dbraw/zinc/80/93/77/1193809377.db2.gz NARXVXQNJALTNQ-UHFFFAOYSA-N 0 3 383.514 0.872 20 0 GCADHN COCCO[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000433359351 1193815375 /nfs/dbraw/zinc/81/53/75/1193815375.db2.gz HPPVAINBXXRJLC-SJORKVTESA-N 0 3 386.514 0.783 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000614334753 1193816954 /nfs/dbraw/zinc/81/69/54/1193816954.db2.gz JSYLFSQNBMHGGX-MRXNPFEDSA-N 0 3 381.498 0.938 20 0 GCADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000419327717 1193818915 /nfs/dbraw/zinc/81/89/15/1193818915.db2.gz ZWLJPPTYZLTXDK-ROUUACIJSA-N 0 3 397.479 0.876 20 0 GCADHN O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000429968875 1193829110 /nfs/dbraw/zinc/82/91/10/1193829110.db2.gz VAIXRSIGUFALQW-INIZCTEOSA-N 0 3 381.860 0.768 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000500944401 1193836765 /nfs/dbraw/zinc/83/67/65/1193836765.db2.gz CMJGRBKXWNYJND-HNNXBMFYSA-N 0 3 394.497 0.666 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1F ZINC000473491128 1193838112 /nfs/dbraw/zinc/83/81/12/1193838112.db2.gz QJHYVLKIYPIWOC-ZDUSSCGKSA-N 0 3 394.447 0.693 20 0 GCADHN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)[C@H](C)CN1 ZINC000333192297 1193839735 /nfs/dbraw/zinc/83/97/35/1193839735.db2.gz VIVVAJGXMYVQFC-HUUCEWRRSA-N 0 3 395.529 0.837 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)Nc3ccc(C(=O)NCC(F)(F)F)cc3)CCN2C1=O ZINC000576293267 1193842642 /nfs/dbraw/zinc/84/26/42/1193842642.db2.gz OLBMUMLUNMCATP-STQMWFEESA-N 0 3 399.373 0.754 20 0 GCADHN CC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1nnc2n1CCCCC2 ZINC000419355586 1193853085 /nfs/dbraw/zinc/85/30/85/1193853085.db2.gz GHPACFDNNNNOKZ-RDBSUJKOSA-N 0 3 392.504 0.801 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000052363811 1193855750 /nfs/dbraw/zinc/85/57/50/1193855750.db2.gz RVNPRGNAXRZWLW-UHFFFAOYSA-N 0 3 382.486 0.181 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)CC3CC3)CC2)cc1 ZINC000052128102 1193859710 /nfs/dbraw/zinc/85/97/10/1193859710.db2.gz FWORASGTFWCUAV-UHFFFAOYSA-N 0 3 381.498 0.870 20 0 GCADHN Cc1nnc2n1C[C@H](C(=O)N1CC3(CCCC3)OC[C@@H]1CN(C)C)N(C)C2 ZINC000620918364 1193860418 /nfs/dbraw/zinc/86/04/18/1193860418.db2.gz VIWORTFNQRDCSS-JKSUJKDBSA-N 0 3 376.505 0.502 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCn3cnnc3[C@@H]2C)CC1 ZINC000571443259 1193875249 /nfs/dbraw/zinc/87/52/49/1193875249.db2.gz YVXZPESFTJOXMB-GJZGRUSLSA-N 0 3 397.483 0.918 20 0 GCADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000419376766 1193877601 /nfs/dbraw/zinc/87/76/01/1193877601.db2.gz BNDVKDDVOPACBB-LSDHHAIUSA-N 0 3 383.514 0.907 20 0 GCADHN C[C@@H]1NC(=O)CC[C@H]1NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000333261360 1193880121 /nfs/dbraw/zinc/88/01/21/1193880121.db2.gz FULJBFRFGFSBGB-DOTOQJQBSA-N 0 3 378.517 0.884 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C[C@@H]21 ZINC000408463437 1193885118 /nfs/dbraw/zinc/88/51/18/1193885118.db2.gz GFORWKZLLDXEAP-WBVHZDCISA-N 0 3 379.482 0.484 20 0 GCADHN CCCN(CCN1CCCCC1)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000513134255 1193892015 /nfs/dbraw/zinc/89/20/15/1193892015.db2.gz VWLNJIDEIVQFSZ-HNNXBMFYSA-N 0 3 388.534 0.197 20 0 GCADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000513145929 1193896475 /nfs/dbraw/zinc/89/64/75/1193896475.db2.gz AFDDTTUIBMFLLO-AWEZNQCLSA-N 0 3 390.484 0.720 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCC3CC(O)C3)cc21 ZINC000433534463 1193896540 /nfs/dbraw/zinc/89/65/40/1193896540.db2.gz PXIWSQCPXROLOU-UHFFFAOYSA-N 0 3 390.440 0.372 20 0 GCADHN CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419390185 1193901511 /nfs/dbraw/zinc/90/15/11/1193901511.db2.gz LVQBUUNWNKFVGA-OWCLPIDISA-N 0 3 392.504 0.609 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000729046867 1193903852 /nfs/dbraw/zinc/90/38/52/1193903852.db2.gz LRHVRCLSWCZIDV-UHFFFAOYSA-N 0 3 382.505 0.868 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000729036715 1193903862 /nfs/dbraw/zinc/90/38/62/1193903862.db2.gz MHTHEWFECYEDQO-UHFFFAOYSA-N 0 3 386.460 0.680 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000333335168 1193907048 /nfs/dbraw/zinc/90/70/48/1193907048.db2.gz ZGVGMRCYMONIKQ-AWEZNQCLSA-N 0 3 378.477 0.688 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000549928620 1193907055 /nfs/dbraw/zinc/90/70/55/1193907055.db2.gz XERSUSIZEMGZBG-UHFFFAOYSA-N 0 3 394.903 0.969 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=S)NCCS(C)(=O)=O)CC1 ZINC000729153835 1193907132 /nfs/dbraw/zinc/90/71/32/1193907132.db2.gz JWVCKEVBUCLBIK-UHFFFAOYSA-N 0 3 398.598 0.833 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000729266134 1193910694 /nfs/dbraw/zinc/91/06/94/1193910694.db2.gz WSRYTYARJGMNHU-NEWSRXKRSA-N 0 3 378.469 0.744 20 0 GCADHN CN1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000729303188 1193911341 /nfs/dbraw/zinc/91/13/41/1193911341.db2.gz FZLDKMLHGPKSIK-CYBMUJFWSA-N 0 3 380.411 0.903 20 0 GCADHN C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1 ZINC000614445940 1193915640 /nfs/dbraw/zinc/91/56/40/1193915640.db2.gz JYLNLBLXSCDLDG-GFCCVEGCSA-N 0 3 381.477 0.804 20 0 GCADHN O=C(CCN1CCOCC1)NCCCCN1CCN(c2ncccn2)CC1 ZINC000729380845 1193917185 /nfs/dbraw/zinc/91/71/85/1193917185.db2.gz WRFUTUSJMWODFA-UHFFFAOYSA-N 0 3 376.505 0.217 20 0 GCADHN N[C@H](C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CCOCC1 ZINC000261647328 1193921874 /nfs/dbraw/zinc/92/18/74/1193921874.db2.gz DYRWVSWLAZTDRR-MOPGFXCFSA-N 0 3 386.496 0.690 20 0 GCADHN N[C@@H](C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CCOCC1 ZINC000261647336 1193921997 /nfs/dbraw/zinc/92/19/97/1193921997.db2.gz DYRWVSWLAZTDRR-RBUKOAKNSA-N 0 3 386.496 0.690 20 0 GCADHN N[C@@H](C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C1CCOCC1 ZINC000261838105 1193928726 /nfs/dbraw/zinc/92/87/26/1193928726.db2.gz QKIUUVIOXNOUOF-GOSISDBHSA-N 0 3 394.903 0.859 20 0 GCADHN N[C@@H](C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)C1CCOCC1 ZINC000261932202 1193932217 /nfs/dbraw/zinc/93/22/17/1193932217.db2.gz ISCOGJVLZHSLJW-QGZVFWFLSA-N 0 3 375.425 0.454 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)nn1 ZINC000433684575 1193934299 /nfs/dbraw/zinc/93/42/99/1193934299.db2.gz JWAHJWPCOSJBSN-GOEBONIOSA-N 0 3 386.456 0.913 20 0 GCADHN CCOc1ccc(CN2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)cc1 ZINC000262004958 1193935398 /nfs/dbraw/zinc/93/53/98/1193935398.db2.gz DWRAUUHHLOSFQX-IBGZPJMESA-N 0 3 376.501 0.829 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000262100664 1193939090 /nfs/dbraw/zinc/93/90/90/1193939090.db2.gz MBDDCHZPWCFSOS-SFHVURJKSA-N 0 3 391.468 0.679 20 0 GCADHN COC(C)(C)C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000513340812 1193940144 /nfs/dbraw/zinc/94/01/44/1193940144.db2.gz NQNDUXHGDQPILN-HUUCEWRRSA-N 0 3 382.505 0.071 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000262196883 1193941801 /nfs/dbraw/zinc/94/18/01/1193941801.db2.gz RZSZBPWBEQTUMF-KRWDZBQOSA-N 0 3 378.448 0.600 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000262222739 1193942104 /nfs/dbraw/zinc/94/21/04/1193942104.db2.gz USMRKAKDEGGYRW-INIZCTEOSA-N 0 3 395.485 0.195 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000513428912 1193950126 /nfs/dbraw/zinc/95/01/26/1193950126.db2.gz ORPDOWNBOXTQEW-KRWDZBQOSA-N 0 3 395.525 0.904 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc(OCC(N)=O)c1 ZINC000513441097 1193952130 /nfs/dbraw/zinc/95/21/30/1193952130.db2.gz VYEOYZXYYLNYKP-INIZCTEOSA-N 0 3 376.457 0.223 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000664199977 1193957357 /nfs/dbraw/zinc/95/73/57/1193957357.db2.gz KMBBLHKFYNKWHF-UHFFFAOYSA-N 0 3 377.489 0.250 20 0 GCADHN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)n1 ZINC000430030150 1193960333 /nfs/dbraw/zinc/96/03/33/1193960333.db2.gz HNBFXCRZSYBULK-CQSZACIVSA-N 0 3 383.456 0.984 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1(N2CCOCC2)CC1 ZINC000433932912 1193960876 /nfs/dbraw/zinc/96/08/76/1193960876.db2.gz TWPMZVZVKZGJFH-MRXNPFEDSA-N 0 3 381.521 0.093 20 0 GCADHN CC[C@@H]1CN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CCN1C[C@@H](C)O ZINC000513611728 1193966633 /nfs/dbraw/zinc/96/66/33/1193966633.db2.gz OBNAOQLIEIJGBT-NXHRZFHOSA-N 0 3 384.546 0.694 20 0 GCADHN C[C@@H](CNC(=O)N(CCN1CCOCC1)CC1CC1)CN1CCN(C)CC1 ZINC000664218658 1193970409 /nfs/dbraw/zinc/97/04/09/1193970409.db2.gz FLGRVMZRACQMCI-SFHVURJKSA-N 0 3 381.565 0.624 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000549943200 1193971500 /nfs/dbraw/zinc/97/15/00/1193971500.db2.gz RLCMGGKSGOUJMK-QGZVFWFLSA-N 0 3 380.533 0.738 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)O1 ZINC000280329366 1193987999 /nfs/dbraw/zinc/98/79/99/1193987999.db2.gz ZTUSLSVPAUYVGA-DLBZAZTESA-N 0 3 379.432 0.818 20 0 GCADHN O=C(NCCN1CC=CCC1)[C@H]1CC[C@H](C(=O)NCCN2CC=CCC2)O1 ZINC000280372734 1193989743 /nfs/dbraw/zinc/98/97/43/1193989743.db2.gz ZBKWGPZXKAJJMT-QZTJIDSGSA-N 0 3 376.501 0.290 20 0 GCADHN O=C(NCCN1CC=CCC1)[C@@H]1CC[C@@H](C(=O)NCCN2CC=CCC2)O1 ZINC000280372735 1193989814 /nfs/dbraw/zinc/98/98/14/1193989814.db2.gz ZBKWGPZXKAJJMT-ROUUACIJSA-N 0 3 376.501 0.290 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cnc(C(C)C)nc2)CC1 ZINC000280395785 1193992349 /nfs/dbraw/zinc/99/23/49/1193992349.db2.gz QTKQCVAIAXYDHL-OAHLLOKOSA-N 0 3 376.505 0.928 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC(=O)NCC(F)F)c2)CC1 ZINC000280406107 1193992786 /nfs/dbraw/zinc/99/27/86/1193992786.db2.gz OXSHNVFIASKLNY-UHFFFAOYSA-N 0 3 397.426 0.265 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)CCSC1 ZINC000280477897 1193998696 /nfs/dbraw/zinc/99/86/96/1193998696.db2.gz NUUIMHSSPASYAZ-UGSOOPFHSA-N 0 3 395.529 0.806 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)CCSC1 ZINC000280477887 1193998764 /nfs/dbraw/zinc/99/87/64/1193998764.db2.gz NUUIMHSSPASYAZ-SCLBCKFNSA-N 0 3 395.529 0.806 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)CCSC1 ZINC000280477866 1193998821 /nfs/dbraw/zinc/99/88/21/1193998821.db2.gz NUUIMHSSPASYAZ-ACJLOTCBSA-N 0 3 395.529 0.806 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1=O ZINC000280503117 1193999661 /nfs/dbraw/zinc/99/96/61/1193999661.db2.gz ACXAOKVGJXXMSB-DLBZAZTESA-N 0 3 386.496 0.908 20 0 GCADHN CO[C@@]1(C)CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000280600085 1194007753 /nfs/dbraw/zinc/00/77/53/1194007753.db2.gz VBQHHUMJAPIPLS-SFHVURJKSA-N 0 3 383.514 0.884 20 0 GCADHN CN1CCCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000509940034 1194010127 /nfs/dbraw/zinc/01/01/27/1194010127.db2.gz NKLGUXDHIAKGCT-UHFFFAOYSA-N 0 3 394.541 0.298 20 0 GCADHN O=S(=O)(c1ccc(OCCN2CCC[C@H](CO)C2)cc1)N1CCOCC1 ZINC000280659225 1194011362 /nfs/dbraw/zinc/01/13/62/1194011362.db2.gz FGLKWXGGHLVAOD-INIZCTEOSA-N 0 3 384.498 0.791 20 0 GCADHN CCN1CCCN(C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000280653130 1194012581 /nfs/dbraw/zinc/01/25/81/1194012581.db2.gz WMMVEJWFUBCNMM-IBGZPJMESA-N 0 3 395.525 0.996 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)c(C)c1 ZINC000280671220 1194012817 /nfs/dbraw/zinc/01/28/17/1194012817.db2.gz FXAUBGAMHZZXIB-CQSZACIVSA-N 0 3 390.484 0.906 20 0 GCADHN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@](C)(C(N)=O)C1 ZINC000280693602 1194013047 /nfs/dbraw/zinc/01/30/47/1194013047.db2.gz HVSZVPVUZXWKKC-ZMZPIMSZSA-N 0 3 376.413 0.692 20 0 GCADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@@](C)(C(N)=O)C3)CC2)c(F)c1 ZINC000280678893 1194013907 /nfs/dbraw/zinc/01/39/07/1194013907.db2.gz GONIBTYTJJAYGY-HXUWFJFHSA-N 0 3 390.459 0.874 20 0 GCADHN CN(CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)C1CCC1 ZINC000982898426 1194014546 /nfs/dbraw/zinc/01/45/46/1194014546.db2.gz SNVKJQQJVDPMHG-RIVXBTQJSA-N 0 3 379.501 0.487 20 0 GCADHN O=C(NC[C@H]1CSCCN1Cc1ccccc1)C(=O)N1CCCNCC1 ZINC000419398931 1194019151 /nfs/dbraw/zinc/01/91/51/1194019151.db2.gz IRXFCNHSCOAUQF-KRWDZBQOSA-N 0 3 376.526 0.542 20 0 GCADHN COc1cc(OC)cc(OCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419406977 1194022003 /nfs/dbraw/zinc/02/20/03/1194022003.db2.gz VYCNAGKWNLAZQN-WBMJQRKESA-N 0 3 395.456 0.428 20 0 GCADHN C[C@H](O)C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1ccccc1 ZINC000419407326 1194022128 /nfs/dbraw/zinc/02/21/28/1194022128.db2.gz YEQPXPSPPPKJMT-DIECFANBSA-N 0 3 377.485 0.887 20 0 GCADHN CCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)cc1OC ZINC000419424694 1194025555 /nfs/dbraw/zinc/02/55/55/1194025555.db2.gz KNTGZDVKHLKVHU-UKRRQHHQSA-N 0 3 379.457 0.766 20 0 GCADHN Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)NC[C@H]3CNCCO3)cc2)n1 ZINC000419425774 1194026367 /nfs/dbraw/zinc/02/63/67/1194026367.db2.gz WKCGDVSJAPSWPA-GOSISDBHSA-N 0 3 385.468 0.252 20 0 GCADHN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419437117 1194034684 /nfs/dbraw/zinc/03/46/84/1194034684.db2.gz FCNPFMCCTMTZNQ-HOCLYGCPSA-N 0 3 394.903 0.696 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccccn2)C1=O ZINC000501049800 1194040685 /nfs/dbraw/zinc/04/06/85/1194040685.db2.gz YJQXNOXREYOVJY-INIZCTEOSA-N 0 3 391.472 0.319 20 0 GCADHN CCC(CC)[C@H](CCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)OC ZINC000419480856 1194040929 /nfs/dbraw/zinc/04/09/29/1194040929.db2.gz WJSPUUVGTOGVME-IRXDYDNUSA-N 0 3 394.520 0.858 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccco2)C1=O ZINC000501034752 1194042456 /nfs/dbraw/zinc/04/24/56/1194042456.db2.gz LHVMXXPGPBWZRP-HNNXBMFYSA-N 0 3 380.445 0.517 20 0 GCADHN Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000419501614 1194046053 /nfs/dbraw/zinc/04/60/53/1194046053.db2.gz REELRGPKUJNLLD-RCCFBDPRSA-N 0 3 375.469 0.906 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419515952 1194051649 /nfs/dbraw/zinc/05/16/49/1194051649.db2.gz GCWAZDOEFWDBLV-CZUORRHYSA-N 0 3 379.457 0.557 20 0 GCADHN COc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419566856 1194062638 /nfs/dbraw/zinc/06/26/38/1194062638.db2.gz HKMBPLKOEFOUKV-IOASZLSFSA-N 0 3 379.457 0.808 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1=O ZINC000501120906 1194063502 /nfs/dbraw/zinc/06/35/02/1194063502.db2.gz MXKSRHITTXXHFK-CVEARBPZSA-N 0 3 394.447 0.892 20 0 GCADHN C[C@H](NC[C@H]1CN(C2CC2)CCO1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000501131199 1194065559 /nfs/dbraw/zinc/06/55/59/1194065559.db2.gz DMQFWEKRBJBZSN-YJBOKZPZSA-N 0 3 389.496 0.958 20 0 GCADHN C[C@@H](NC[C@H]1CN(C2CC2)CCO1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000501131198 1194065856 /nfs/dbraw/zinc/06/58/56/1194065856.db2.gz DMQFWEKRBJBZSN-QAPCUYQASA-N 0 3 389.496 0.958 20 0 GCADHN COc1ccc(COCCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419588620 1194066425 /nfs/dbraw/zinc/06/64/25/1194066425.db2.gz OPGZOGYTIVNQHN-YOEHRIQHSA-N 0 3 393.484 0.947 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000419592738 1194066569 /nfs/dbraw/zinc/06/65/69/1194066569.db2.gz XAOOVLSUYBRROT-BBRMVZONSA-N 0 3 388.468 0.659 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(N2CCCC2=O)c1 ZINC000419592740 1194066921 /nfs/dbraw/zinc/06/69/21/1194066921.db2.gz XAOOVLSUYBRROT-CJNGLKHVSA-N 0 3 388.468 0.659 20 0 GCADHN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1)CC2 ZINC000419589178 1194066964 /nfs/dbraw/zinc/06/69/64/1194066964.db2.gz UXWNHACTZFEIQW-IRXDYDNUSA-N 0 3 384.484 0.957 20 0 GCADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419612659 1194073529 /nfs/dbraw/zinc/07/35/29/1194073529.db2.gz MJQSAAFJGWITGT-MGPQQGTHSA-N 0 3 379.457 0.808 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000419653931 1194073993 /nfs/dbraw/zinc/07/39/93/1194073993.db2.gz RDVCKUSHVZLSSH-MRXNPFEDSA-N 0 3 381.498 0.600 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C(=O)N1c1ccccc1 ZINC000419665407 1194077941 /nfs/dbraw/zinc/07/79/41/1194077941.db2.gz KQRRNOKXCVYGHW-WMHQRMGPSA-N 0 3 388.468 0.526 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000419672825 1194079507 /nfs/dbraw/zinc/07/95/07/1194079507.db2.gz GPVXGPLGFHAHTL-WDMOLILDSA-N 0 3 390.440 0.424 20 0 GCADHN CC(=O)Nc1cccc(OCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419683365 1194081922 /nfs/dbraw/zinc/08/19/22/1194081922.db2.gz KNYBWAQDCNQRBJ-BLLLJJGKSA-N 0 3 392.456 0.369 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccncc1OCC(F)F ZINC000419710327 1194085322 /nfs/dbraw/zinc/08/53/22/1194085322.db2.gz NYCRHNDBQUPVBU-JQWIXIFHSA-N 0 3 386.399 0.571 20 0 GCADHN NC(=O)COc1cccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000664236689 1194091764 /nfs/dbraw/zinc/09/17/64/1194091764.db2.gz LRSBDVYBLCFKSB-MRXNPFEDSA-N 0 3 376.457 0.603 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000419764207 1194101550 /nfs/dbraw/zinc/10/15/50/1194101550.db2.gz VURHRHAISDDDRJ-CJNGLKHVSA-N 0 3 380.464 0.603 20 0 GCADHN C[C@@H](Cn1cccn1)NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000501276238 1194102758 /nfs/dbraw/zinc/10/27/58/1194102758.db2.gz ISJYNZOLNYKYDR-QWHCGFSZSA-N 0 3 377.470 0.486 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)Oc1ccccc1 ZINC000419804328 1194107481 /nfs/dbraw/zinc/10/74/81/1194107481.db2.gz CVCCNTDIWYJKER-HOCLYGCPSA-N 0 3 386.456 0.484 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCc3ccc(Cl)cc3)C2)nn1 ZINC000419790360 1194108747 /nfs/dbraw/zinc/10/87/47/1194108747.db2.gz TUAWOUQTVHYRDO-INIZCTEOSA-N 0 3 390.875 0.913 20 0 GCADHN COc1ccc([C@@H](CNC(=O)C(=O)NCC(F)(F)CN)N2CCCC2)cc1 ZINC000419806980 1194111436 /nfs/dbraw/zinc/11/14/36/1194111436.db2.gz FRNIJWKSRUQPHP-OAHLLOKOSA-N 0 3 384.427 0.659 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)N2CCNC[C@@H]2C)C[C@H](C)O1 ZINC000419812029 1194112452 /nfs/dbraw/zinc/11/24/52/1194112452.db2.gz HTYFIXYQLDANGR-YESZJQIVSA-N 0 3 388.512 0.732 20 0 GCADHN CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419833848 1194116493 /nfs/dbraw/zinc/11/64/93/1194116493.db2.gz WNKVBPNNKQVHKG-WFASDCNBSA-N 0 3 376.457 0.282 20 0 GCADHN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419916984 1194138492 /nfs/dbraw/zinc/13/84/92/1194138492.db2.gz FPROKJRBLYGENI-SJORKVTESA-N 0 3 397.479 0.944 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419916963 1194138661 /nfs/dbraw/zinc/13/86/61/1194138661.db2.gz FNJPSAMGQLDXIW-KRWDZBQOSA-N 0 3 376.501 0.619 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1)c1ccccc1 ZINC000419930925 1194140372 /nfs/dbraw/zinc/14/03/72/1194140372.db2.gz ORMLPQZTJVSJJP-QGZVFWFLSA-N 0 3 384.411 0.817 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)c1ccccc1 ZINC000419932660 1194144733 /nfs/dbraw/zinc/14/47/33/1194144733.db2.gz QCECXKFTXZKWDL-GOSISDBHSA-N 0 3 396.447 0.493 20 0 GCADHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419937156 1194145512 /nfs/dbraw/zinc/14/55/12/1194145512.db2.gz VOZSNNUCSKZDJG-ARFHVFGLSA-N 0 3 377.441 0.372 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000420023277 1194158128 /nfs/dbraw/zinc/15/81/28/1194158128.db2.gz AMPCCELHPSAPCN-GXTWGEPZSA-N 0 3 379.436 0.099 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000420023283 1194158225 /nfs/dbraw/zinc/15/82/25/1194158225.db2.gz AMPCCELHPSAPCN-TZMCWYRMSA-N 0 3 379.436 0.099 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000420023188 1194158346 /nfs/dbraw/zinc/15/83/46/1194158346.db2.gz AJPMKSOKRKJZCU-AEAUEXCSSA-N 0 3 379.432 0.689 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000420024724 1194159118 /nfs/dbraw/zinc/15/91/18/1194159118.db2.gz BJZYATGISOOYDD-GDJRKYJOSA-N 0 3 397.422 0.828 20 0 GCADHN COc1cc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc(OC)c1 ZINC000420028061 1194159344 /nfs/dbraw/zinc/15/93/44/1194159344.db2.gz DBUIYZKZQFGMRS-BLLLJJGKSA-N 0 3 379.457 0.891 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000420026681 1194159575 /nfs/dbraw/zinc/15/95/75/1194159575.db2.gz COPCKRIEJMMVPR-GXTWGEPZSA-N 0 3 381.502 0.017 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000420027143 1194159844 /nfs/dbraw/zinc/15/98/44/1194159844.db2.gz CEDIXQSDWUYCKQ-HIFRSBDPSA-N 0 3 398.467 0.517 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000420030001 1194160433 /nfs/dbraw/zinc/16/04/33/1194160433.db2.gz GDVQXKVKJJZBGU-SMDDNHRTSA-N 0 3 383.880 0.929 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000420032343 1194160722 /nfs/dbraw/zinc/16/07/22/1194160722.db2.gz HWIHTEOVRLKCNR-RRFJBIMHSA-N 0 3 377.489 0.430 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000420032410 1194160817 /nfs/dbraw/zinc/16/08/17/1194160817.db2.gz HYIRBRRKGFINLP-VBNZEHGJSA-N 0 3 380.464 0.774 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000420033793 1194161720 /nfs/dbraw/zinc/16/17/20/1194161720.db2.gz IVUWHQJWEMNHPO-NWDGAFQWSA-N 0 3 380.411 0.312 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420055760 1194163087 /nfs/dbraw/zinc/16/30/87/1194163087.db2.gz HZCIKTWKBZAVJM-PJIJBLCYSA-N 0 3 399.488 0.034 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCCN(c2nccs2)CC1 ZINC000420058574 1194163845 /nfs/dbraw/zinc/16/38/45/1194163845.db2.gz JYRRMQKYKZWTTN-CHWSQXEVSA-N 0 3 381.502 0.411 20 0 GCADHN COc1ccc(OCCN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000420057146 1194163936 /nfs/dbraw/zinc/16/39/36/1194163936.db2.gz JASWVLLCXAHNPD-CJNGLKHVSA-N 0 3 379.457 0.762 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccc2ccccc2c1 ZINC000420060405 1194164276 /nfs/dbraw/zinc/16/42/76/1194164276.db2.gz PYPSDJMHWLCKHY-VQTJNVASSA-N 0 3 396.491 0.889 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)c2ccccc2C1)C1CCCC1 ZINC000420062869 1194164902 /nfs/dbraw/zinc/16/49/02/1194164902.db2.gz SAYOKJWIZQUTBV-OAHLLOKOSA-N 0 3 379.482 0.436 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420036777 1194165372 /nfs/dbraw/zinc/16/53/72/1194165372.db2.gz LKFCPYVVQLQCNK-GOEBONIOSA-N 0 3 395.504 0.241 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420036779 1194165480 /nfs/dbraw/zinc/16/54/80/1194165480.db2.gz LKFCPYVVQLQCNK-ZBFHGGJFSA-N 0 3 395.504 0.241 20 0 GCADHN CC(C)OCCOC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420038254 1194165576 /nfs/dbraw/zinc/16/55/76/1194165576.db2.gz MSULXJKDNCQPQM-ZBFHGGJFSA-N 0 3 385.505 0.648 20 0 GCADHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420037606 1194165682 /nfs/dbraw/zinc/16/56/82/1194165682.db2.gz MGYISRXEOUZSFT-KFWWJZLASA-N 0 3 391.468 0.904 20 0 GCADHN COc1cccc([C@@H]2C[C@H](O)CN2C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000420039788 1194166442 /nfs/dbraw/zinc/16/64/42/1194166442.db2.gz ODSBTEAEMSSFDC-SDNTUTLCSA-N 0 3 391.468 0.559 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000420042474 1194166713 /nfs/dbraw/zinc/16/67/13/1194166713.db2.gz QSQMXZNLPPHLPG-XPIZARPCSA-N 0 3 389.496 0.768 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000420047533 1194168705 /nfs/dbraw/zinc/16/87/05/1194168705.db2.gz WEQNOBUGTSZPPT-YNEHKIRRSA-N 0 3 394.476 0.071 20 0 GCADHN COc1cc2c(cc1F)CN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)CC2 ZINC000420046708 1194168805 /nfs/dbraw/zinc/16/88/05/1194168805.db2.gz VUBKUIGCZPNDSY-ABAIWWIYSA-N 0 3 379.432 0.948 20 0 GCADHN COC(=O)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000420047971 1194168973 /nfs/dbraw/zinc/16/89/73/1194168973.db2.gz WSQHXLQWHPPYMY-SWLSCSKDSA-N 0 3 377.441 0.661 20 0 GCADHN COc1c(C)cnc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1C ZINC000420054496 1194169994 /nfs/dbraw/zinc/16/99/94/1194169994.db2.gz HEMPJURUOFMSHH-ZIAGYGMSSA-N 0 3 378.473 0.895 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000420055166 1194171001 /nfs/dbraw/zinc/17/10/01/1194171001.db2.gz HQMDVRGUYFNVLU-FUHWJXTLSA-N 0 3 388.512 0.950 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000420070795 1194172266 /nfs/dbraw/zinc/17/22/66/1194172266.db2.gz VUWINPPEEJTXFJ-WMLDXEAASA-N 0 3 392.475 0.699 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)CC1 ZINC000501500352 1194172595 /nfs/dbraw/zinc/17/25/95/1194172595.db2.gz AHLDWSBHLFWLAR-IKGGRYGDSA-N 0 3 378.521 0.823 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)CC1 ZINC000501500354 1194172699 /nfs/dbraw/zinc/17/26/99/1194172699.db2.gz AHLDWSBHLFWLAR-ULQDDVLXSA-N 0 3 378.521 0.823 20 0 GCADHN CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420072563 1194172762 /nfs/dbraw/zinc/17/27/62/1194172762.db2.gz XMNLUXHXZAMSIC-ILXRZTDVSA-N 0 3 382.505 0.371 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000420073276 1194172775 /nfs/dbraw/zinc/17/27/75/1194172775.db2.gz YEKKAFHWLMSMBZ-IHRRRGAJSA-N 0 3 377.441 0.514 20 0 GCADHN COC[C@@]1(CO)CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000420076627 1194173678 /nfs/dbraw/zinc/17/36/78/1194173678.db2.gz MJAVFTMWIHRSAR-NQIIRXRSSA-N 0 3 385.464 0.813 20 0 GCADHN C[C@H]1COCCN1CCNC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000420076696 1194173787 /nfs/dbraw/zinc/17/37/87/1194173787.db2.gz MNFFARUZGYSPOR-HNAYVOBHSA-N 0 3 384.480 0.793 20 0 GCADHN C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000420076691 1194173793 /nfs/dbraw/zinc/17/37/93/1194173793.db2.gz MNFFARUZGYSPOR-BEFAXECRSA-N 0 3 384.480 0.793 20 0 GCADHN COC[C@]1(CO)CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000420076625 1194173971 /nfs/dbraw/zinc/17/39/71/1194173971.db2.gz MJAVFTMWIHRSAR-GHTZIAJQSA-N 0 3 385.464 0.813 20 0 GCADHN COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000420065697 1194176136 /nfs/dbraw/zinc/17/61/36/1194176136.db2.gz PUUFRPKBEOQSAY-LRDDRELGSA-N 0 3 389.452 0.587 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000420064703 1194176218 /nfs/dbraw/zinc/17/62/18/1194176218.db2.gz UOMALDFYMHOLDI-DLBZAZTESA-N 0 3 385.420 0.356 20 0 GCADHN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000420066255 1194176325 /nfs/dbraw/zinc/17/63/25/1194176325.db2.gz WILGEAQNENTATR-KYNGSXCRSA-N 0 3 385.464 0.954 20 0 GCADHN NCC(F)(F)CNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000420150334 1194193852 /nfs/dbraw/zinc/19/38/52/1194193852.db2.gz KKQVDSPSMNIQFE-UHFFFAOYSA-N 0 3 382.455 0.864 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC(F)(F)CN ZINC000420182059 1194197293 /nfs/dbraw/zinc/19/72/93/1194197293.db2.gz YRMXXHZKCZZZBY-UHFFFAOYSA-N 0 3 378.370 0.565 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000420199291 1194202320 /nfs/dbraw/zinc/20/23/20/1194202320.db2.gz NERLBIMWDHVECX-OAHLLOKOSA-N 0 3 380.876 0.089 20 0 GCADHN Cc1ccc(C)c(OC2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000420204676 1194204231 /nfs/dbraw/zinc/20/42/31/1194204231.db2.gz SMCFIJHQUQKORX-QGZVFWFLSA-N 0 3 375.469 0.778 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000420206685 1194204591 /nfs/dbraw/zinc/20/45/91/1194204591.db2.gz SXALRTPQSFVWLG-QGZVFWFLSA-N 0 3 375.469 0.425 20 0 GCADHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420205195 1194204888 /nfs/dbraw/zinc/20/48/88/1194204888.db2.gz RSKNXINIXFTXFE-QGZVFWFLSA-N 0 3 399.495 0.861 20 0 GCADHN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420205789 1194205154 /nfs/dbraw/zinc/20/51/54/1194205154.db2.gz SGVCUTNADORQRT-PBHICJAKSA-N 0 3 394.903 0.650 20 0 GCADHN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420205791 1194205450 /nfs/dbraw/zinc/20/54/50/1194205450.db2.gz SGVCUTNADORQRT-WMLDXEAASA-N 0 3 394.903 0.650 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000420188796 1194206534 /nfs/dbraw/zinc/20/65/34/1194206534.db2.gz CXNJQGGDMFPDFZ-GOSISDBHSA-N 0 3 387.480 0.997 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000420189307 1194206563 /nfs/dbraw/zinc/20/65/63/1194206563.db2.gz DJPRQSOUEZMLBP-GXTWGEPZSA-N 0 3 390.465 0.301 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000420187778 1194206762 /nfs/dbraw/zinc/20/67/62/1194206762.db2.gz BYKRLJOBTLEDPS-DOMZBBRYSA-N 0 3 385.823 0.484 20 0 GCADHN COc1ccc(C(=O)C2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000420191452 1194206993 /nfs/dbraw/zinc/20/69/93/1194206993.db2.gz HCMUZPKRKMQQIL-QGZVFWFLSA-N 0 3 389.452 0.221 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000420191404 1194207065 /nfs/dbraw/zinc/20/70/65/1194207065.db2.gz GWYWCEFWFJKRFP-KRWDZBQOSA-N 0 3 381.423 0.851 20 0 GCADHN CCc1nc2ccccc2n1C1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420191471 1194207103 /nfs/dbraw/zinc/20/71/03/1194207103.db2.gz HGGWOTKZSPQJRN-INIZCTEOSA-N 0 3 399.495 0.867 20 0 GCADHN CCCN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000420190003 1194207196 /nfs/dbraw/zinc/20/71/96/1194207196.db2.gz FKLMPNKYHIIQKK-DOTOQJQBSA-N 0 3 390.484 0.747 20 0 GCADHN COc1ccc(CN(CC2CC2)C(=O)C(=O)NC[C@@H]2CNCCO2)c(OC)c1 ZINC000420190559 1194207330 /nfs/dbraw/zinc/20/73/30/1194207330.db2.gz GARNDOVCEWRWAN-KRWDZBQOSA-N 0 3 391.468 0.547 20 0 GCADHN COc1ccc([C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CNCCO2)cc1OC ZINC000420190013 1194207339 /nfs/dbraw/zinc/20/73/39/1194207339.db2.gz FKYOIFQBRRIBET-CABCVRRESA-N 0 3 377.441 0.472 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000420191760 1194207687 /nfs/dbraw/zinc/20/76/87/1194207687.db2.gz HNHVFYAMBFTWFY-HOTGVXAUSA-N 0 3 399.451 0.895 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000420193452 1194208212 /nfs/dbraw/zinc/20/82/12/1194208212.db2.gz IXZNIWDYAJIJRP-INIZCTEOSA-N 0 3 380.876 0.089 20 0 GCADHN COc1ccc(CN(C(=O)C(=O)NC[C@@H]2CNCCO2)[C@H](C)C2CC2)cc1 ZINC000420195936 1194208856 /nfs/dbraw/zinc/20/88/56/1194208856.db2.gz LAGOVNDYPRRFOC-KDOFPFPSSA-N 0 3 375.469 0.927 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000420210990 1194213080 /nfs/dbraw/zinc/21/30/80/1194213080.db2.gz WSERYZOTDAQXDG-OAHLLOKOSA-N 0 3 376.844 0.742 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000420214575 1194213640 /nfs/dbraw/zinc/21/36/40/1194213640.db2.gz ZLZCHZJNYNNHBX-IAGOWNOFSA-N 0 3 379.432 0.438 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420369075 1194224512 /nfs/dbraw/zinc/22/45/12/1194224512.db2.gz BJQRWDDBCGBWEQ-HOTGVXAUSA-N 0 3 378.477 0.318 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420369073 1194224751 /nfs/dbraw/zinc/22/47/51/1194224751.db2.gz BJQRWDDBCGBWEQ-CVEARBPZSA-N 0 3 378.477 0.318 20 0 GCADHN NCc1cn([C@@H]2CCCN(S(=O)(=O)CCOCc3ccccc3)C2)nn1 ZINC000420481474 1194231579 /nfs/dbraw/zinc/23/15/79/1194231579.db2.gz RBSXMEOZOPKBFW-QGZVFWFLSA-N 0 3 379.486 0.920 20 0 GCADHN CO[C@H](Cc1ccccc1)CS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000420658471 1194252348 /nfs/dbraw/zinc/25/23/48/1194252348.db2.gz CCMMVTAEKLJSDP-ZWKOTPCHSA-N 0 3 397.541 0.751 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000420705123 1194255935 /nfs/dbraw/zinc/25/59/35/1194255935.db2.gz JTXWLHMZRPCBCI-CVEARBPZSA-N 0 3 394.541 0.790 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000420769486 1194264027 /nfs/dbraw/zinc/26/40/27/1194264027.db2.gz JADMYQAKQZCBBD-MOPGFXCFSA-N 0 3 388.512 0.556 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)Cc1ccccc1 ZINC000420838784 1194266348 /nfs/dbraw/zinc/26/63/48/1194266348.db2.gz LZHUXTFQXAVDCB-IAGOWNOFSA-N 0 3 377.485 0.274 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)Cc1ccccc1 ZINC000420838789 1194266460 /nfs/dbraw/zinc/26/64/60/1194266460.db2.gz LZHUXTFQXAVDCB-SJORKVTESA-N 0 3 377.485 0.274 20 0 GCADHN C[C@@H]1C[C@H](CO)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000420951401 1194277126 /nfs/dbraw/zinc/27/71/26/1194277126.db2.gz XCQBYFPFCXWJMO-SJORKVTESA-N 0 3 395.525 0.470 20 0 GCADHN O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000502247135 1194284666 /nfs/dbraw/zinc/28/46/66/1194284666.db2.gz XHABXXUJSXDEBG-BBWFWOEESA-N 0 3 376.501 0.733 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502232610 1194285506 /nfs/dbraw/zinc/28/55/06/1194285506.db2.gz OPHPBLPNVYWXNT-CVEARBPZSA-N 0 3 392.525 0.908 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](CCO)CC1 ZINC000421021347 1194285736 /nfs/dbraw/zinc/28/57/36/1194285736.db2.gz SIFXBLWSYAGWOU-JKSUJKDBSA-N 0 3 397.541 0.866 20 0 GCADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000502259304 1194288942 /nfs/dbraw/zinc/28/89/42/1194288942.db2.gz PDWILGOUJYWEBQ-DLBZAZTESA-N 0 3 381.473 0.788 20 0 GCADHN CCNC(=O)COc1ccc(CN2CCN(C)C[C@@H](C(=O)OC)C2)cc1OC ZINC000414497342 1194291926 /nfs/dbraw/zinc/29/19/26/1194291926.db2.gz SPXYAZYGTGGZJT-MRXNPFEDSA-N 0 3 393.484 0.747 20 0 GCADHN CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000502286901 1194292081 /nfs/dbraw/zinc/29/20/81/1194292081.db2.gz GMNCEQRJYHYHNV-ROUUACIJSA-N 0 3 389.496 0.512 20 0 GCADHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1O[C@H]1CC(=O)N1 ZINC000421177226 1194301947 /nfs/dbraw/zinc/30/19/47/1194301947.db2.gz GYYSMWLHHXNRHZ-DYVFJYSZSA-N 0 3 376.457 0.942 20 0 GCADHN Cc1c(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cccc1S(=O)(=O)N(C)C ZINC000421307212 1194321814 /nfs/dbraw/zinc/32/18/14/1194321814.db2.gz OPQGYAXRFICQIC-CQSZACIVSA-N 0 3 396.513 0.736 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1S(=O)(=O)N(C)C ZINC000421295171 1194324460 /nfs/dbraw/zinc/32/44/60/1194324460.db2.gz HUEZFZADORRJIP-HNNXBMFYSA-N 0 3 396.513 0.736 20 0 GCADHN CN(C)c1ncn(-c2cccc(NC(=O)C(=O)N(C)C[C@H]3CCCN3C)c2)n1 ZINC000421297659 1194324868 /nfs/dbraw/zinc/32/48/68/1194324868.db2.gz FBVZOGLSJBBVJR-MRXNPFEDSA-N 0 3 385.472 0.824 20 0 GCADHN CN(C)c1ncn(-c2cccc(NC(=O)C(=O)N(C)C[C@@H]3CCCN3C)c2)n1 ZINC000421297656 1194325321 /nfs/dbraw/zinc/32/53/21/1194325321.db2.gz FBVZOGLSJBBVJR-INIZCTEOSA-N 0 3 385.472 0.824 20 0 GCADHN CCOC(=O)Cc1nnc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)s1 ZINC000269822427 1194334657 /nfs/dbraw/zinc/33/46/57/1194334657.db2.gz KKHXTXOLZGEBOY-LBPRGKRZSA-N 0 3 384.506 0.649 20 0 GCADHN CS(=O)(=O)[N-]c1cncc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000502624934 1194340725 /nfs/dbraw/zinc/34/07/25/1194340725.db2.gz FHFLVOOONOWCOK-IRXDYDNUSA-N 0 3 396.513 0.951 20 0 GCADHN COc1cccc(C(=O)NCCNC(=O)NCCCCN2CCN(C)CC2)c1 ZINC000031152349 1194341449 /nfs/dbraw/zinc/34/14/49/1194341449.db2.gz PIMSKKBXSJBICZ-UHFFFAOYSA-N 0 3 391.516 0.752 20 0 GCADHN COc1ccc(N2CCN(C(=O)C(=O)NCCN3CCC[C@H](C)C3)CC2)nc1 ZINC000421508608 1194342694 /nfs/dbraw/zinc/34/26/94/1194342694.db2.gz FLCSJVXGZMTZON-INIZCTEOSA-N 0 3 389.500 0.587 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000421534007 1194346385 /nfs/dbraw/zinc/34/63/85/1194346385.db2.gz AWVQEGMVXLJNLY-OAHLLOKOSA-N 0 3 382.530 0.475 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000421557084 1194348312 /nfs/dbraw/zinc/34/83/12/1194348312.db2.gz MNXYIYKRLQPQKH-IRXDYDNUSA-N 0 3 378.517 0.981 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000502796993 1194357285 /nfs/dbraw/zinc/35/72/85/1194357285.db2.gz TWTZQDCFVCDJLS-MRXNPFEDSA-N 0 3 391.520 0.180 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000502815081 1194358447 /nfs/dbraw/zinc/35/84/47/1194358447.db2.gz NULXYMLXPBIFTL-OAHLLOKOSA-N 0 3 398.529 0.847 20 0 GCADHN CC(=O)N[C@](C)(C(=O)N(C)C[C@@H]1CCCN1C)c1ccc(S(C)(=O)=O)cc1 ZINC000421711572 1194358658 /nfs/dbraw/zinc/35/86/58/1194358658.db2.gz OWPOEUXSABZIBN-LPHOPBHVSA-N 0 3 395.525 0.994 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000502832676 1194361098 /nfs/dbraw/zinc/36/10/98/1194361098.db2.gz ISLHLNUURRRBGA-CABCVRRESA-N 0 3 382.486 0.380 20 0 GCADHN Cc1c(C(=O)NC[C@@]2(O)CCN(C)C2)nnn1CCOc1ccc(F)cc1 ZINC000502861073 1194361754 /nfs/dbraw/zinc/36/17/54/1194361754.db2.gz OEOXWZRYANAVIB-SFHVURJKSA-N 0 3 377.420 0.601 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000502835765 1194361986 /nfs/dbraw/zinc/36/19/86/1194361986.db2.gz GWUCMWAQNFPBOY-MAZHCROVSA-N 0 3 378.448 0.623 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000502866046 1194364586 /nfs/dbraw/zinc/36/45/86/1194364586.db2.gz LCHFZBDXQCMJAX-KGLIPLIRSA-N 0 3 382.486 0.346 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000502866929 1194364631 /nfs/dbraw/zinc/36/46/31/1194364631.db2.gz UOLDXKPXIDEORG-NILFDRSVSA-N 0 3 394.497 0.116 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000503029954 1194375595 /nfs/dbraw/zinc/37/55/95/1194375595.db2.gz AABNQWGKLLUVQS-UHFFFAOYSA-N 0 3 383.537 0.341 20 0 GCADHN COC(=O)[C@@H]1CCc2sc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)nc2C1 ZINC000421967662 1194376311 /nfs/dbraw/zinc/37/63/11/1194376311.db2.gz OZSAOEVCHOTVQU-NEPJUHHUSA-N 0 3 394.497 0.770 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000422104853 1194387099 /nfs/dbraw/zinc/38/70/99/1194387099.db2.gz PHOOUEFPXMTHKA-KRWDZBQOSA-N 0 3 395.475 0.714 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000422107332 1194387481 /nfs/dbraw/zinc/38/74/81/1194387481.db2.gz SKFGCCJFFXTSAJ-QGZVFWFLSA-N 0 3 390.459 0.663 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@](C)(C(=O)OC)C2)CC1 ZINC000422084853 1194387711 /nfs/dbraw/zinc/38/77/11/1194387711.db2.gz LJJIWJYUHDMCRW-OXJNMPFZSA-N 0 3 396.532 0.178 20 0 GCADHN C[C@H](CN(C)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000422090023 1194388639 /nfs/dbraw/zinc/38/86/39/1194388639.db2.gz VFBGRIIBUSQJRX-JKSUJKDBSA-N 0 3 398.548 0.422 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000422091758 1194389499 /nfs/dbraw/zinc/38/94/99/1194389499.db2.gz CGNAEYSVMXFUOX-MRXNPFEDSA-N 0 3 395.475 0.714 20 0 GCADHN C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422124106 1194389705 /nfs/dbraw/zinc/38/97/05/1194389705.db2.gz UYRMGJUQHSANDC-LSDHHAIUSA-N 0 3 379.530 0.901 20 0 GCADHN C[C@H](c1nccs1)N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422124100 1194389998 /nfs/dbraw/zinc/38/99/98/1194389998.db2.gz UYRMGJUQHSANDC-CABCVRRESA-N 0 3 379.530 0.901 20 0 GCADHN O=C(CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)NCC(F)F ZINC000280767444 1194390263 /nfs/dbraw/zinc/39/02/63/1194390263.db2.gz OTESNGKIKOZKJZ-HNNXBMFYSA-N 0 3 384.427 0.958 20 0 GCADHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000422129975 1194390457 /nfs/dbraw/zinc/39/04/57/1194390457.db2.gz FZONWWDMRGRXKC-OAHLLOKOSA-N 0 3 396.438 0.592 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000422108575 1194391735 /nfs/dbraw/zinc/39/17/35/1194391735.db2.gz XTWYTHRLYSUUNP-KGLIPLIRSA-N 0 3 378.439 0.928 20 0 GCADHN 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MADNNLCNMKDJCR-KGLIPLIRSA-N 0 3 397.497 0.539 20 0 GCADHN C[C@@H](O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000272579256 1194475005 /nfs/dbraw/zinc/47/50/05/1194475005.db2.gz OBZYHNNWMOYSAF-HUUCEWRRSA-N 0 3 399.488 0.361 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)CNC(=O)Cc2ccc(O)cc2)CC1 ZINC000272593134 1194476807 /nfs/dbraw/zinc/47/68/07/1194476807.db2.gz ITZXNWYAYYZDKG-MRXNPFEDSA-N 0 3 376.501 0.441 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)N(C)C ZINC000272638196 1194481023 /nfs/dbraw/zinc/48/10/23/1194481023.db2.gz BVAMBEJHWWWBAY-GFCCVEGCSA-N 0 3 375.429 0.669 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(F)c(F)cc2C(=O)OC)CC1 ZINC000272712202 1194490425 /nfs/dbraw/zinc/49/04/25/1194490425.db2.gz KYQFMFYIYAIZPD-UHFFFAOYSA-N 0 3 399.394 0.917 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(F)c2C(=O)OC)CC1 ZINC000272726582 1194492022 /nfs/dbraw/zinc/49/20/22/1194492022.db2.gz YTEWRRGUYKFHCH-UHFFFAOYSA-N 0 3 394.447 0.695 20 0 GCADHN C[C@H](NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C1=CCN(C)CC1 ZINC000272742219 1194494292 /nfs/dbraw/zinc/49/42/92/1194494292.db2.gz RAVSZLSZFYSYLZ-AWEZNQCLSA-N 0 3 376.461 0.514 20 0 GCADHN CC(C)[C@@H](CO)NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000272740080 1194494472 /nfs/dbraw/zinc/49/44/72/1194494472.db2.gz GTKNDKUNURRWFY-BEFAXECRSA-N 0 3 376.457 0.567 20 0 GCADHN C[C@@H]1CN(CCN(C)C(=O)NCCCCN2CCN(CCO)CC2)C[C@H](C)O1 ZINC000434180262 1194508914 /nfs/dbraw/zinc/50/89/14/1194508914.db2.gz ALIVUFGDGROWEC-KDURUIRLSA-N 0 3 399.580 0.127 20 0 GCADHN COc1ncncc1NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000272950030 1194523104 /nfs/dbraw/zinc/52/31/04/1194523104.db2.gz QFXFTQYDOREBAE-OKILXGFUSA-N 0 3 391.472 0.772 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)C2=CCN(C)CC2)[C@H](C)O)cc1 ZINC000272999038 1194528877 /nfs/dbraw/zinc/52/88/77/1194528877.db2.gz QZNXETWTASPYTO-MPGHIAIKSA-N 0 3 395.525 0.789 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CSc2nnc3ccccn32)CC1 ZINC000273027197 1194532068 /nfs/dbraw/zinc/53/20/68/1194532068.db2.gz DROUSDDIZPCDSZ-CQSZACIVSA-N 0 3 388.497 0.586 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)NCCN3CCNC(=O)C3)c(C)c2)CC1 ZINC000273024818 1194532160 /nfs/dbraw/zinc/53/21/60/1194532160.db2.gz YCXAQGOYZIJKEY-UHFFFAOYSA-N 0 3 388.516 0.690 20 0 GCADHN C[C@H](NC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)C1=CCN(C)CC1 ZINC000273070603 1194536571 /nfs/dbraw/zinc/53/65/71/1194536571.db2.gz ZKSXYXPGVCVLMC-GJZGRUSLSA-N 0 3 384.488 0.995 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273085385 1194537596 /nfs/dbraw/zinc/53/75/96/1194537596.db2.gz RMUIJIDDFVDYHY-SJORKVTESA-N 0 3 383.470 0.828 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cnn(-c3ccccc3)n2)CC1 ZINC000273306278 1194553175 /nfs/dbraw/zinc/55/31/75/1194553175.db2.gz LQQWNXJHLFRISP-INIZCTEOSA-N 0 3 399.499 0.596 20 0 GCADHN CCn1cnnc1-c1ccccc1NC(=O)C(=O)N(CCOC)CCN(C)C ZINC000273326095 1194554889 /nfs/dbraw/zinc/55/48/89/1194554889.db2.gz QXWDPXDADQTHCO-UHFFFAOYSA-N 0 3 388.472 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/nfs/dbraw/zinc/59/06/93/1194590693.db2.gz BWJXAUREHQWNDK-UHFFFAOYSA-N 0 3 393.513 0.428 20 0 GCADHN C[C@@H](COCC(F)(F)F)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503200371 1194591795 /nfs/dbraw/zinc/59/17/95/1194591795.db2.gz UJMZHMMMCFBDGE-ZDUSSCGKSA-N 0 3 380.411 0.903 20 0 GCADHN COC(=O)[C@]1(C)CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H]1C ZINC000503206355 1194592721 /nfs/dbraw/zinc/59/27/21/1194592721.db2.gz OBQVPWZCVKGJRO-AUUYWEPGSA-N 0 3 377.441 0.695 20 0 GCADHN COCC(COC)N1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000422282580 1194600497 /nfs/dbraw/zinc/60/04/97/1194600497.db2.gz ZHKJJNKKVNAVKZ-KRWDZBQOSA-N 0 3 398.548 0.029 20 0 GCADHN COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000422300896 1194609238 /nfs/dbraw/zinc/60/92/38/1194609238.db2.gz OVQCCZYIILMYDL-FQEVSTJZSA-N 0 3 397.516 0.794 20 0 GCADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000422302616 1194609307 /nfs/dbraw/zinc/60/93/07/1194609307.db2.gz WMEGNGQKISNYMZ-ZFWWWQNUSA-N 0 3 396.513 0.325 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)N(C)Cc1ccccc1 ZINC000422314874 1194611735 /nfs/dbraw/zinc/61/17/35/1194611735.db2.gz HZCCPGYMSFWWHI-NVXWUHKLSA-N 0 3 377.485 0.621 20 0 GCADHN CCCN1C[C@H](CNC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1=O ZINC000422320639 1194612734 /nfs/dbraw/zinc/61/27/34/1194612734.db2.gz VXZZVUANJHNVRC-WMZOPIPTSA-N 0 3 388.512 0.998 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000422324433 1194614092 /nfs/dbraw/zinc/61/40/92/1194614092.db2.gz ICSMZKSKAINKJQ-GJZGRUSLSA-N 0 3 385.530 0.732 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCSC[C@@H](C(=O)OC)C1 ZINC000422324435 1194614296 /nfs/dbraw/zinc/61/42/96/1194614296.db2.gz ICSMZKSKAINKJQ-LSDHHAIUSA-N 0 3 385.530 0.732 20 0 GCADHN CON1CCC(NC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000422326079 1194614669 /nfs/dbraw/zinc/61/46/69/1194614669.db2.gz MOEIBQVQHLRDCN-UHFFFAOYSA-N 0 3 398.573 0.996 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000422403412 1194628702 /nfs/dbraw/zinc/62/87/02/1194628702.db2.gz VKUYMSRPIMKZRU-NZSAHSFTSA-N 0 3 391.512 0.867 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000422388799 1194632189 /nfs/dbraw/zinc/63/21/89/1194632189.db2.gz MREUGANHIKMZEO-IAGOWNOFSA-N 0 3 387.484 0.241 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)nc(C)n1 ZINC000422408048 1194639400 /nfs/dbraw/zinc/63/94/00/1194639400.db2.gz ZZYVYTCZNFRUNZ-KRWDZBQOSA-N 0 3 388.516 0.731 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2nccs2)CC1 ZINC000422495829 1194651848 /nfs/dbraw/zinc/65/18/48/1194651848.db2.gz FBXZGOLYAXGWSI-ZDUSSCGKSA-N 0 3 381.502 0.333 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1nccs1 ZINC000422503006 1194656399 /nfs/dbraw/zinc/65/63/99/1194656399.db2.gz VTCDYWYDKHMLOY-ZDUSSCGKSA-N 0 3 379.486 0.087 20 0 GCADHN CO[C@](C)([C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000422515302 1194658135 /nfs/dbraw/zinc/65/81/35/1194658135.db2.gz BELAIJSDYSMALR-FOIQADDNSA-N 0 3 394.516 0.073 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422523139 1194660871 /nfs/dbraw/zinc/66/08/71/1194660871.db2.gz YBMKMEGCLVBPKS-CVEARBPZSA-N 0 3 376.432 0.648 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422530889 1194662671 /nfs/dbraw/zinc/66/26/71/1194662671.db2.gz RNKUQMJYNFCPEQ-MRXNPFEDSA-N 0 3 378.448 0.846 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)OC)CC1 ZINC000422571899 1194670681 /nfs/dbraw/zinc/67/06/81/1194670681.db2.gz IRTBYNDPJVYQBM-MRXNPFEDSA-N 0 3 384.521 0.176 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CC1(C)C ZINC000422583992 1194672351 /nfs/dbraw/zinc/67/23/51/1194672351.db2.gz YQEGLDVKRVZGTK-HOTGVXAUSA-N 0 3 378.517 0.694 20 0 GCADHN CCCN1C[C@H](CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC1=O ZINC000422601141 1194673258 /nfs/dbraw/zinc/67/32/58/1194673258.db2.gz BMVBPBBZTFGJBO-INIZCTEOSA-N 0 3 378.517 0.838 20 0 GCADHN CCCN1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1=O ZINC000422609113 1194674712 /nfs/dbraw/zinc/67/47/12/1194674712.db2.gz WFLYGSBFNWYRIA-IAGOWNOFSA-N 0 3 378.517 0.838 20 0 GCADHN CON1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC1 ZINC000422634642 1194679327 /nfs/dbraw/zinc/67/93/27/1194679327.db2.gz QVARUZWBIPGKKH-UHFFFAOYSA-N 0 3 398.454 0.997 20 0 GCADHN COC1([C@@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CCOCC1 ZINC000422636756 1194679625 /nfs/dbraw/zinc/67/96/25/1194679625.db2.gz PPVYXBDYVQURSN-HZPDHXFCSA-N 0 3 385.505 0.256 20 0 GCADHN NCC(=O)N1CCC[C@H](CN2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000414693908 1194699445 /nfs/dbraw/zinc/69/94/45/1194699445.db2.gz RXQJJEWCHFLGLM-MRXNPFEDSA-N 0 3 376.476 0.710 20 0 GCADHN NCC(=O)N1CCC[C@@H](CN2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000414693907 1194699541 /nfs/dbraw/zinc/69/95/41/1194699541.db2.gz RXQJJEWCHFLGLM-INIZCTEOSA-N 0 3 376.476 0.710 20 0 GCADHN CC(C)NC(=O)c1ccc(C(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000503601943 1194700937 /nfs/dbraw/zinc/70/09/37/1194700937.db2.gz QETHWDBQAZMILL-UHFFFAOYSA-N 0 3 390.528 0.945 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000503642194 1194703308 /nfs/dbraw/zinc/70/33/08/1194703308.db2.gz IZLRGPHPLALPTK-UHFFFAOYSA-N 0 3 387.484 0.654 20 0 GCADHN CCOC(=O)[C@H]1NCC[C@@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422844388 1194704186 /nfs/dbraw/zinc/70/41/86/1194704186.db2.gz LPKAFRJODIFSSS-YJBOKZPZSA-N 0 3 375.473 0.004 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000414707785 1194711404 /nfs/dbraw/zinc/71/14/04/1194711404.db2.gz CDDKOXPSMRXKSG-UHFFFAOYSA-N 0 3 395.463 0.847 20 0 GCADHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C12CCCC2 ZINC000503702037 1194711548 /nfs/dbraw/zinc/71/15/48/1194711548.db2.gz HSNJDIRKFGWXOL-QZTJIDSGSA-N 0 3 394.560 0.936 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCN(c4ccccc4)CC3)C2)nn1 ZINC000422982464 1194715394 /nfs/dbraw/zinc/71/53/94/1194715394.db2.gz WWVYEBYGWGAKQI-GOSISDBHSA-N 0 3 397.483 0.249 20 0 GCADHN CC(=O)N[C@H](CCC(N)=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000503766716 1194716592 /nfs/dbraw/zinc/71/65/92/1194716592.db2.gz ASGSVAGNLMQGPH-GOSISDBHSA-N 0 3 389.500 0.926 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](SC)C2)CC1 ZINC000503802374 1194721480 /nfs/dbraw/zinc/72/14/80/1194721480.db2.gz XYYTZMKVLFSWOY-CVEARBPZSA-N 0 3 398.573 0.789 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCN(c2ccccn2)CC1 ZINC000414714786 1194722735 /nfs/dbraw/zinc/72/27/35/1194722735.db2.gz VRGLTXKGGBXZRD-UHFFFAOYSA-N 0 3 381.436 0.851 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C[C@@]1(C)C[NH3+] ZINC000423123136 1194728706 /nfs/dbraw/zinc/72/87/06/1194728706.db2.gz DFYOWWCLUZDBCT-JLTOFOAXSA-N 0 3 388.468 0.120 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000141546143 1194728851 /nfs/dbraw/zinc/72/88/51/1194728851.db2.gz DIFULHHMRUXUNR-CQSZACIVSA-N 0 3 377.514 0.809 20 0 GCADHN CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000423128186 1194729621 /nfs/dbraw/zinc/72/96/21/1194729621.db2.gz KPDMSEIVSCLXAO-QGZVFWFLSA-N 0 3 390.484 0.508 20 0 GCADHN CCC(CC)N(CCOC)C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423144560 1194733511 /nfs/dbraw/zinc/73/35/11/1194733511.db2.gz YYKZZSUOUASHIS-MRXNPFEDSA-N 0 3 380.493 0.564 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@H](N)CC3CCCCC3)CC2)cn1 ZINC000423235312 1194739764 /nfs/dbraw/zinc/73/97/64/1194739764.db2.gz QUUIRJHCFRGYHV-KRWDZBQOSA-N 0 3 397.545 0.987 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCCOCCO)c2)CC1 ZINC000504029667 1194744975 /nfs/dbraw/zinc/74/49/75/1194744975.db2.gz DARDTNHOWNLTBM-UHFFFAOYSA-N 0 3 378.473 0.281 20 0 GCADHN C[C@H]([C@H](C)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)S(C)(=O)=O ZINC000423322111 1194746932 /nfs/dbraw/zinc/74/69/32/1194746932.db2.gz NORBETBMYWOJKW-LQKXBSAESA-N 0 3 381.498 0.220 20 0 GCADHN Cc1nc(N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc(N2CC[C@H]3NC(=O)CC[C@H]3C2)n1 ZINC000664344785 1194747371 /nfs/dbraw/zinc/74/73/71/1194747371.db2.gz PLXMTSFNCVRBTD-ZYGGUILKSA-N 0 3 398.511 0.995 20 0 GCADHN CCN(C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)[C@@H](C)CS(C)(=O)=O ZINC000423304907 1194748436 /nfs/dbraw/zinc/74/84/36/1194748436.db2.gz PUDIQJSIGXMMKD-DUVNUKRYSA-N 0 3 399.488 0.360 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCc4cccc(F)c4C3)C2)nn1 ZINC000423324216 1194749211 /nfs/dbraw/zinc/74/92/11/1194749211.db2.gz IQECXJLEEBFUGV-HNNXBMFYSA-N 0 3 386.431 0.624 20 0 GCADHN C[C@@H]1Cc2ccccc2CN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423379086 1194752092 /nfs/dbraw/zinc/75/20/92/1194752092.db2.gz CSWWHBWMWBPWPW-KDOFPFPSSA-N 0 3 382.468 0.874 20 0 GCADHN NCC(=O)N1CCC[C@@H](CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000414740946 1194754051 /nfs/dbraw/zinc/75/40/51/1194754051.db2.gz RLPICJMSVNTUCD-HNNXBMFYSA-N 0 3 388.468 0.370 20 0 GCADHN COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1 ZINC000504111576 1194754776 /nfs/dbraw/zinc/75/47/76/1194754776.db2.gz QIMBMZJPBYFLHR-ZDUSSCGKSA-N 0 3 385.486 0.502 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CCOC[C@H]3c3ccccc3)C2)nn1 ZINC000423428413 1194756582 /nfs/dbraw/zinc/75/65/82/1194756582.db2.gz RCOFXCLYMGQPDJ-MSOLQXFVSA-N 0 3 398.467 0.500 20 0 GCADHN CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)C1 ZINC000423439134 1194757649 /nfs/dbraw/zinc/75/76/49/1194757649.db2.gz VHNRAUOSNOZFIC-HRCADAONSA-N 0 3 397.472 0.114 20 0 GCADHN COCCN(C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[C@@H]1CC[C@@H](C)C1 ZINC000423523939 1194763130 /nfs/dbraw/zinc/76/31/30/1194763130.db2.gz JACORGYBTQAOOG-OIISXLGYSA-N 0 3 392.504 0.564 20 0 GCADHN CC(C)(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCO1 ZINC000423590840 1194767089 /nfs/dbraw/zinc/76/70/89/1194767089.db2.gz GMNBYTGOWMLRRX-LSDHHAIUSA-N 0 3 378.477 0.174 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000504262473 1194768837 /nfs/dbraw/zinc/76/88/37/1194768837.db2.gz XDOFPBVMWPMLDD-UHFFFAOYSA-N 0 3 397.545 0.826 20 0 GCADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCS1 ZINC000423579954 1194769728 /nfs/dbraw/zinc/76/97/28/1194769728.db2.gz XFWZOVYHRRSMPQ-GJZGRUSLSA-N 0 3 380.518 0.500 20 0 GCADHN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)C(=O)N1CCCNCC1 ZINC000423602261 1194772071 /nfs/dbraw/zinc/77/20/71/1194772071.db2.gz CTXMGUWVINQMNS-KBPBESRZSA-N 0 3 383.493 0.336 20 0 GCADHN O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423606342 1194772895 /nfs/dbraw/zinc/77/28/95/1194772895.db2.gz ICUHWOUOSACSJM-UHFFFAOYSA-N 0 3 392.887 0.375 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000504276488 1194773635 /nfs/dbraw/zinc/77/36/35/1194773635.db2.gz FFQLNLFVQFDWIW-MRXNPFEDSA-N 0 3 383.518 0.579 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000423613930 1194773652 /nfs/dbraw/zinc/77/36/52/1194773652.db2.gz RYUMLVGENCJXCL-UHFFFAOYSA-N 0 3 378.860 0.333 20 0 GCADHN O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423619067 1194774389 /nfs/dbraw/zinc/77/43/89/1194774389.db2.gz ZWCVRSYAAAUOBU-UHFFFAOYSA-N 0 3 397.479 0.203 20 0 GCADHN C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000423678911 1194784731 /nfs/dbraw/zinc/78/47/31/1194784731.db2.gz LEBZVTUMKQYZKF-PBHICJAKSA-N 0 3 388.468 0.405 20 0 GCADHN C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423689022 1194786312 /nfs/dbraw/zinc/78/63/12/1194786312.db2.gz XUNUPPYXXVBVPZ-HOCLYGCPSA-N 0 3 388.468 0.405 20 0 GCADHN C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423689020 1194786373 /nfs/dbraw/zinc/78/63/73/1194786373.db2.gz XUNUPPYXXVBVPZ-GDBMZVCRSA-N 0 3 388.468 0.405 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cccc2c1ccn(C)c2=O ZINC000504421012 1194794136 /nfs/dbraw/zinc/79/41/36/1194794136.db2.gz CMILAIQZDHSGNM-UHFFFAOYSA-N 0 3 399.495 0.573 20 0 GCADHN CCc1ccccc1[C@@H](N)CNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000423946699 1194796824 /nfs/dbraw/zinc/79/68/24/1194796824.db2.gz VCJCFPOILZFVIK-KRWDZBQOSA-N 0 3 389.477 0.938 20 0 GCADHN O=C(CNCC1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1)NC1CCOCC1 ZINC001269576212 1194797084 /nfs/dbraw/zinc/79/70/84/1194797084.db2.gz YMESEZOBSHPKKI-ZACQAIPSSA-N 0 3 379.501 0.868 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2CNCCO2)ccc1OC ZINC000423992208 1194797397 /nfs/dbraw/zinc/79/73/97/1194797397.db2.gz NXOYJFQXPAUIAM-CQSZACIVSA-N 0 3 385.486 0.444 20 0 GCADHN CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CNCCO1 ZINC000423992054 1194797487 /nfs/dbraw/zinc/79/74/87/1194797487.db2.gz NPJQUXRCCZFTBH-KKUMJFAQSA-N 0 3 384.521 0.317 20 0 GCADHN COc1cc(N2C[C@@H](C(=O)NC[C@@H]3CNCCO3)CC2=O)cc(OC)c1OC ZINC000423994022 1194797778 /nfs/dbraw/zinc/79/77/78/1194797778.db2.gz RRLGEYZBTZAJSW-JSGCOSHPSA-N 0 3 393.440 0.170 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CNCCO3)CC2)c(C)c1 ZINC000423993701 1194797786 /nfs/dbraw/zinc/79/77/86/1194797786.db2.gz QYWQVKLKRXQNCL-KRWDZBQOSA-N 0 3 395.525 0.809 20 0 GCADHN COc1ccc(C(=O)NC[C@H]2CNCCO2)cc1S(=O)(=O)NC(C)(C)C ZINC000423985134 1194798243 /nfs/dbraw/zinc/79/82/43/1194798243.db2.gz CUTFOKUDPVGTDX-CYBMUJFWSA-N 0 3 385.486 0.490 20 0 GCADHN COc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1S(=O)(=O)NC(C)(C)C ZINC000423985135 1194798343 /nfs/dbraw/zinc/79/83/43/1194798343.db2.gz CUTFOKUDPVGTDX-ZDUSSCGKSA-N 0 3 385.486 0.490 20 0 GCADHN CSCC[C@H](C(=O)NC[C@@H]1CNCCO1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000423985461 1194798370 /nfs/dbraw/zinc/79/83/70/1194798370.db2.gz DMRDUDBGYYBZFS-BYNSBNAKSA-N 0 3 383.514 0.388 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC[C@H]1CNCCO1 ZINC000423998052 1194798651 /nfs/dbraw/zinc/79/86/51/1194798651.db2.gz ZGGSBMUPNLTOKY-WDEREUQCSA-N 0 3 395.403 0.477 20 0 GCADHN O=C(Nc1ccc2c(c1)CNC2)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000414794616 1194821434 /nfs/dbraw/zinc/82/14/34/1194821434.db2.gz VSOQWUZAPIBTDW-UHFFFAOYSA-N 0 3 394.431 0.919 20 0 GCADHN C[C@@H](O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000505238453 1194831491 /nfs/dbraw/zinc/83/14/91/1194831491.db2.gz KPDUXVRYENWRSS-KGLIPLIRSA-N 0 3 376.457 0.722 20 0 GCADHN CCC(=O)N[C@H](CCSC)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000505375175 1194835510 /nfs/dbraw/zinc/83/55/10/1194835510.db2.gz MPFZKQMLCYHSIZ-OAHLLOKOSA-N 0 3 386.562 0.647 20 0 GCADHN C[C@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@]2(CCOC2)O1 ZINC000366585510 1194848322 /nfs/dbraw/zinc/84/83/22/1194848322.db2.gz GOXFGHOZWLGGEB-LPHOPBHVSA-N 0 3 375.473 0.395 20 0 GCADHN COCCN(CCN(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000434514715 1194848476 /nfs/dbraw/zinc/84/84/76/1194848476.db2.gz SJLPGHLEZVKNKY-UHFFFAOYSA-N 0 3 399.517 0.908 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1-n1cnnn1 ZINC000514212727 1194856624 /nfs/dbraw/zinc/85/66/24/1194856624.db2.gz HCTDOPMQKJVEMP-UHFFFAOYSA-N 0 3 399.455 0.051 20 0 GCADHN CN(CCN1CCOC(C)(C)C1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000434709928 1194861307 /nfs/dbraw/zinc/86/13/07/1194861307.db2.gz HVUXTSYPSVNIIT-QGZVFWFLSA-N 0 3 390.484 0.907 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)CC1 ZINC000434717550 1194864806 /nfs/dbraw/zinc/86/48/06/1194864806.db2.gz IUMURESYRMGYCY-AWEZNQCLSA-N 0 3 387.484 0.286 20 0 GCADHN CC[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000664442138 1194865413 /nfs/dbraw/zinc/86/54/13/1194865413.db2.gz RJGYIOOEYJJIBB-LWYYNNOASA-N 0 3 390.528 0.982 20 0 GCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000434783939 1194869673 /nfs/dbraw/zinc/86/96/73/1194869673.db2.gz MAUICWGWOPKJSA-OKILXGFUSA-N 0 3 375.473 0.879 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1(C)C ZINC000281894727 1194873702 /nfs/dbraw/zinc/87/37/02/1194873702.db2.gz IMUIEZOWFOXLPL-UHFFFAOYSA-N 0 3 385.472 0.348 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281958062 1194875010 /nfs/dbraw/zinc/87/50/10/1194875010.db2.gz UYIMHYUALBNMTR-UHFFFAOYSA-N 0 3 397.545 0.420 20 0 GCADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)c1ccnc(Cl)c1)C2 ZINC001269875922 1194876075 /nfs/dbraw/zinc/87/60/75/1194876075.db2.gz FXADEWHBMDHTOX-SFHVURJKSA-N 0 3 380.876 0.988 20 0 GCADHN CNc1nc(N2CCC[C@@H]2CC(=O)OC)nc(N2CCC[C@@H]2CC(=O)OC)n1 ZINC000434953061 1194879703 /nfs/dbraw/zinc/87/97/03/1194879703.db2.gz YOQDSPUIRQSGNF-CHWSQXEVSA-N 0 3 392.460 0.399 20 0 GCADHN Cc1nnc(CNCCC2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)[nH]1 ZINC001269889729 1194881681 /nfs/dbraw/zinc/88/16/81/1194881681.db2.gz SEBXHHTXSANSBX-XYJFISCASA-N 0 3 377.489 0.883 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(CC(=O)NC2CCCC2)c1)CN1CCN(C)CC1 ZINC000435026887 1194884338 /nfs/dbraw/zinc/88/43/38/1194884338.db2.gz JWHWUWBQNNXIAD-INIZCTEOSA-N 0 3 390.532 0.555 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3c[nH]cc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000514615186 1194887891 /nfs/dbraw/zinc/88/78/91/1194887891.db2.gz RSFJKHLCWAYBCI-XJKSGUPXSA-N 0 3 382.420 0.837 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)CC1=O ZINC000514633433 1194889624 /nfs/dbraw/zinc/88/96/24/1194889624.db2.gz CIJFISCOJRIKLP-MRXNPFEDSA-N 0 3 386.456 0.381 20 0 GCADHN CN(CCN1CCN(C(=O)C(=O)NC[C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000282927890 1194895121 /nfs/dbraw/zinc/89/51/21/1194895121.db2.gz ADQZTGKFNCXENG-LJQANCHMSA-N 0 3 388.512 0.415 20 0 GCADHN COC(=O)Cn1cc(CCN2CCC(C(=O)NCC(F)(F)F)CC2)nn1 ZINC000514708927 1194896404 /nfs/dbraw/zinc/89/64/04/1194896404.db2.gz BOWNCYRANGNSNR-UHFFFAOYSA-N 0 3 377.367 0.384 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCC2CC[NH2+]CC2)CCCC1 ZINC000514715544 1194896613 /nfs/dbraw/zinc/89/66/13/1194896613.db2.gz XAZGWMSPOWNOCC-UHFFFAOYSA-N 0 3 384.502 0.998 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(CCN(C)C)C2CC2)cc1 ZINC000505632306 1194899507 /nfs/dbraw/zinc/89/95/07/1194899507.db2.gz JVSPHMKYGJQYPV-UHFFFAOYSA-N 0 3 396.513 0.866 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NC[C@H]3CCCC(=O)N3)cn2)CC1 ZINC000435206275 1194900947 /nfs/dbraw/zinc/90/09/47/1194900947.db2.gz GYTQIJPCUVGMCW-CYBMUJFWSA-N 0 3 389.456 0.278 20 0 GCADHN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000514748011 1194902769 /nfs/dbraw/zinc/90/27/69/1194902769.db2.gz VAINCYACQYKIEW-RDJZCZTQSA-N 0 3 376.501 0.590 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)CC1=O ZINC000425306422 1194903823 /nfs/dbraw/zinc/90/38/23/1194903823.db2.gz AISQPCDMVGZKHA-OAGGEKHMSA-N 0 3 381.517 0.923 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)CC1=O ZINC000425306420 1194903897 /nfs/dbraw/zinc/90/38/97/1194903897.db2.gz AISQPCDMVGZKHA-BZUAXINKSA-N 0 3 381.517 0.923 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C(C)=O)c(O)c2)CC1=O ZINC000425308395 1194905263 /nfs/dbraw/zinc/90/52/63/1194905263.db2.gz BSQREOKWOLNZOR-OAHLLOKOSA-N 0 3 377.441 0.504 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C(F)(F)F)[nH]2)CC1=O ZINC000425312291 1194906300 /nfs/dbraw/zinc/90/63/00/1194906300.db2.gz GKAMKLXHMWHNED-NSHDSACASA-N 0 3 376.379 0.942 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2ccc(O)c(OC)c2)CC1=O ZINC000425313170 1194906854 /nfs/dbraw/zinc/90/68/54/1194906854.db2.gz HUXDZDVAUHGZDJ-OAHLLOKOSA-N 0 3 379.457 0.239 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnn(-c3ccncc3)c2)CC1=O ZINC000425316726 1194908331 /nfs/dbraw/zinc/90/83/31/1194908331.db2.gz LXIQWHAHDQRKGD-MRXNPFEDSA-N 0 3 386.456 0.176 20 0 GCADHN CCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000514784318 1194908442 /nfs/dbraw/zinc/90/84/42/1194908442.db2.gz AZFRHEDRPWPHMA-SWLSCSKDSA-N 0 3 376.457 0.881 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCc3ccccc3O2)CC1=O ZINC000425314917 1194908564 /nfs/dbraw/zinc/90/85/64/1194908564.db2.gz JSSNMFHRRCJXCU-AEFFLSMTSA-N 0 3 375.469 0.676 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)N2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)CCCN1C ZINC000435266451 1194908868 /nfs/dbraw/zinc/90/88/68/1194908868.db2.gz GYQPHLBEPCOKEX-PMPSAXMXSA-N 0 3 392.504 0.110 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)N2CCO[C@H](CN(C)c3nccn(C)c3=O)C2)CCCN1C ZINC000435266449 1194909193 /nfs/dbraw/zinc/90/91/93/1194909193.db2.gz GYQPHLBEPCOKEX-OAGGEKHMSA-N 0 3 392.504 0.110 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@@H]2COc3ccccc3O2)CC1=O ZINC000425320572 1194910886 /nfs/dbraw/zinc/91/08/86/1194910886.db2.gz RAVMHGBSIHAZQZ-HZPDHXFCSA-N 0 3 391.468 0.512 20 0 GCADHN COCC1(C)CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000435280266 1194911912 /nfs/dbraw/zinc/91/19/12/1194911912.db2.gz MZHLKWHVWKFYKQ-UHFFFAOYSA-N 0 3 390.440 0.590 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(OC(F)F)cn2)CC1=O ZINC000425319914 1194912738 /nfs/dbraw/zinc/91/27/38/1194912738.db2.gz QEEGXTHXHJSTRA-GFCCVEGCSA-N 0 3 386.399 0.592 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2Cc3c(cccc3C)O2)CC1=O ZINC000425321247 1194913451 /nfs/dbraw/zinc/91/34/51/1194913451.db2.gz ROMKFGSMBZECHZ-MAUKXSAKSA-N 0 3 375.469 0.594 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CC(=O)N1C ZINC000514806848 1194913458 /nfs/dbraw/zinc/91/34/58/1194913458.db2.gz GJHGYOYQJAIUCF-OAHLLOKOSA-N 0 3 396.557 0.543 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccn(Cc3ccccc3)n2)CC1=O ZINC000425321829 1194913845 /nfs/dbraw/zinc/91/38/45/1194913845.db2.gz SMMABWIMUNZOTG-SFHVURJKSA-N 0 3 399.495 0.840 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2ccc(OC)cc2F)CC1=O ZINC000425323353 1194913889 /nfs/dbraw/zinc/91/38/89/1194913889.db2.gz UWNOGTJXZXOWIU-OAHLLOKOSA-N 0 3 381.448 0.672 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccnc(-n3cccn3)c2)CC1=O ZINC000425322892 1194914417 /nfs/dbraw/zinc/91/44/17/1194914417.db2.gz UHJGMOYDZBKAHK-INIZCTEOSA-N 0 3 386.456 0.176 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccnc(-n3cccn3)c2)CC1=O ZINC000425322895 1194914425 /nfs/dbraw/zinc/91/44/25/1194914425.db2.gz UHJGMOYDZBKAHK-MRXNPFEDSA-N 0 3 386.456 0.176 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1=O ZINC000425324309 1194914622 /nfs/dbraw/zinc/91/46/22/1194914622.db2.gz VVKCDBOSQJZXAR-XJKSGUPXSA-N 0 3 379.505 0.815 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)CC1=O ZINC000425327214 1194916714 /nfs/dbraw/zinc/91/67/14/1194916714.db2.gz ZFZBVQAVIALPQM-ZWKOTPCHSA-N 0 3 388.512 0.808 20 0 GCADHN Cc1csc2ncc(C(=O)N[C@H](C)C(=O)NCCN3CCCCC3)c(=O)n12 ZINC000514850991 1194920390 /nfs/dbraw/zinc/92/03/90/1194920390.db2.gz GJWAJZAKVWSXQJ-CYBMUJFWSA-N 0 3 391.497 0.785 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(Cc4cscn4)CC3)[C@@H]2C1 ZINC000425384575 1194935172 /nfs/dbraw/zinc/93/51/72/1194935172.db2.gz JWOWFFAECGVNSN-GOEBONIOSA-N 0 3 377.514 0.340 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N3CCSC(C)(C)C3)C2)CC1 ZINC000514999923 1194936034 /nfs/dbraw/zinc/93/60/34/1194936034.db2.gz LXYCNGUKIRZREY-MRXNPFEDSA-N 0 3 382.574 0.967 20 0 GCADHN CN(C)C(=O)[C@H]1CCSC12CN(CC1CCN(S(C)(=O)=O)CC1)C2 ZINC001280133923 1194939074 /nfs/dbraw/zinc/93/90/74/1194939074.db2.gz NYAANFOTNHJOIQ-CQSZACIVSA-N 0 3 375.560 0.554 20 0 GCADHN CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000515060535 1194943024 /nfs/dbraw/zinc/94/30/24/1194943024.db2.gz YDWPRGBJODFJCC-RDJZCZTQSA-N 0 3 391.520 0.978 20 0 GCADHN C[C@H](N1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1)C(F)(F)F ZINC000425398542 1194951588 /nfs/dbraw/zinc/95/15/88/1194951588.db2.gz IHXXKWWBEBFMTL-MELADBBJSA-N 0 3 376.423 0.634 20 0 GCADHN NC(=O)C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425399186 1194952341 /nfs/dbraw/zinc/95/23/41/1194952341.db2.gz IZUHWTAWVWXSPE-CEXWTWQISA-N 0 3 398.507 0.833 20 0 GCADHN CCN(CCOCCO)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425405938 1194961838 /nfs/dbraw/zinc/96/18/38/1194961838.db2.gz RPZQXNXSFIKUBG-RBUKOAKNSA-N 0 3 389.496 0.577 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C[C@@H](CO)O1 ZINC000425406943 1194963384 /nfs/dbraw/zinc/96/33/84/1194963384.db2.gz UQZQHEMAXUABCQ-XGXHKWSGSA-N 0 3 387.480 0.328 20 0 GCADHN O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000515326238 1194967304 /nfs/dbraw/zinc/96/73/04/1194967304.db2.gz XRUIVXVUDGUODS-ROUUACIJSA-N 0 3 399.495 0.386 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)[C@H](O)c1ccccc1Cl)C2 ZINC001270022840 1194970239 /nfs/dbraw/zinc/97/02/39/1194970239.db2.gz KFVBEJSEZFLKRU-MRXNPFEDSA-N 0 3 381.860 0.375 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3cc(F)c(F)cc3N3CCOCC3)CCN2C1=O ZINC000515356974 1194970318 /nfs/dbraw/zinc/97/03/18/1194970318.db2.gz OMXXKNLWDYYXGJ-BXUZGUMPSA-N 0 3 395.410 0.577 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)[C@H](O)c3ccccc3Cl)C2)OCC1=O ZINC001270022867 1194970403 /nfs/dbraw/zinc/97/04/03/1194970403.db2.gz KUIPQRAGJMUGIM-MRXNPFEDSA-N 0 3 381.860 0.375 20 0 GCADHN CN(C)C[C@@H]1CN(Cc2ccccc2S(=O)(=O)N2CCOCC2)CCO1 ZINC000435888178 1194971390 /nfs/dbraw/zinc/97/13/90/1194971390.db2.gz GWKSQZQVVFVKJV-QGZVFWFLSA-N 0 3 383.514 0.470 20 0 GCADHN CCn1c2ccc(S(=O)(=O)NCCN3CCN(CC)CC3)cc2oc1=O ZINC000435928940 1194974155 /nfs/dbraw/zinc/97/41/55/1194974155.db2.gz RARWDSCLJZUHNR-UHFFFAOYSA-N 0 3 382.486 0.530 20 0 GCADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H]1CCCO1 ZINC000515447225 1194975676 /nfs/dbraw/zinc/97/56/76/1194975676.db2.gz GICJZWYFCCYYTI-CVEARBPZSA-N 0 3 376.505 0.762 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)Cc1ccccc1 ZINC000515437985 1194976030 /nfs/dbraw/zinc/97/60/30/1194976030.db2.gz VGXWEWSFMSMQBS-GOSISDBHSA-N 0 3 390.528 0.503 20 0 GCADHN CN(C)C[C@H](NC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000515472973 1194977544 /nfs/dbraw/zinc/97/75/44/1194977544.db2.gz GMSMGCYMIIDKHM-HNNXBMFYSA-N 0 3 383.449 0.257 20 0 GCADHN C[C@@H](CO)N1CCCN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000425437785 1194978325 /nfs/dbraw/zinc/97/83/25/1194978325.db2.gz BQDFKSTYJCNBOE-HNNXBMFYSA-N 0 3 383.514 0.095 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000425461861 1194984628 /nfs/dbraw/zinc/98/46/28/1194984628.db2.gz CTRUZDSWKYUYSP-KRWDZBQOSA-N 0 3 397.564 0.681 20 0 GCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)CN3CSCC3=O)c2)CC1 ZINC000515577139 1194985548 /nfs/dbraw/zinc/98/55/48/1194985548.db2.gz KJBWDBXMRPWCSO-UHFFFAOYSA-N 0 3 376.482 0.855 20 0 GCADHN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000515617811 1194987677 /nfs/dbraw/zinc/98/76/77/1194987677.db2.gz WCJTYISHXNSMKX-IAGOWNOFSA-N 0 3 388.468 0.574 20 0 GCADHN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000515617812 1194987732 /nfs/dbraw/zinc/98/77/32/1194987732.db2.gz WCJTYISHXNSMKX-IRXDYDNUSA-N 0 3 388.468 0.574 20 0 GCADHN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC[C@H]1CNCCO1 ZINC000515635875 1194988392 /nfs/dbraw/zinc/98/83/92/1194988392.db2.gz WHWKCITWDSSMEF-MRXNPFEDSA-N 0 3 381.498 0.508 20 0 GCADHN O=C(CN1CCCCC1)N1CC2(C1)SCC[C@@H]2C(=O)NCc1cnc[nH]1 ZINC001270061472 1194989426 /nfs/dbraw/zinc/98/94/26/1194989426.db2.gz IIJQKDUWPFXLFD-OAHLLOKOSA-N 0 3 377.514 0.846 20 0 GCADHN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000515672695 1194990288 /nfs/dbraw/zinc/99/02/88/1194990288.db2.gz IMNICWXUVQONFZ-YLFCFFPRSA-N 0 3 394.516 0.247 20 0 GCADHN COCC[C@]1(NCC(=O)NCc2cccc(C(=O)NC3CC3)c2)CCOC1 ZINC000515765910 1194995858 /nfs/dbraw/zinc/99/58/58/1194995858.db2.gz RYBOYILSOQWJJP-FQEVSTJZSA-N 0 3 375.469 0.980 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCCN(C(=O)C3CCC3)C3CC3)CCN2C1=O ZINC000515872197 1195003644 /nfs/dbraw/zinc/00/36/44/1195003644.db2.gz VQMJUUFWBJKRMZ-HZPDHXFCSA-N 0 3 377.489 0.121 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCCN(C(=O)C3CCC3)C3CC3)CCN2C1=O ZINC000515872196 1195003867 /nfs/dbraw/zinc/00/38/67/1195003867.db2.gz VQMJUUFWBJKRMZ-HOTGVXAUSA-N 0 3 377.489 0.121 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000515892492 1195005481 /nfs/dbraw/zinc/00/54/81/1195005481.db2.gz IZOJNTKWYIYPRA-UHFFFAOYSA-N 0 3 389.500 0.215 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CC[C@H](c3nnc[nH]3)C2)c(OC)c1 ZINC000425546761 1195005677 /nfs/dbraw/zinc/00/56/77/1195005677.db2.gz LIHCENXXTPVMBQ-KBPBESRZSA-N 0 3 376.413 0.829 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc3c2ccn(C)c3=O)CC1 ZINC000505825648 1195007342 /nfs/dbraw/zinc/00/73/42/1195007342.db2.gz PWKOAJAYTMMKRU-HNNXBMFYSA-N 0 3 399.495 0.619 20 0 GCADHN CN(CCCN1C(=O)c2ccccc2C1=O)CC1(O)CCS(=O)(=O)CC1 ZINC000425552118 1195007958 /nfs/dbraw/zinc/00/79/58/1195007958.db2.gz ZAIVWLHGQIMGEI-UHFFFAOYSA-N 0 3 380.466 0.544 20 0 GCADHN COCCCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000515901168 1195007967 /nfs/dbraw/zinc/00/79/67/1195007967.db2.gz WMBCHYJQFSAQCF-UHFFFAOYSA-N 0 3 376.457 0.475 20 0 GCADHN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425553459 1195008396 /nfs/dbraw/zinc/00/83/96/1195008396.db2.gz UNBKFUHAGOTIFQ-SUMWQHHRSA-N 0 3 396.451 0.976 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000505825256 1195009157 /nfs/dbraw/zinc/00/91/57/1195009157.db2.gz LKAMVEIDWXZSQZ-CABCVRRESA-N 0 3 381.498 0.838 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000505825263 1195009178 /nfs/dbraw/zinc/00/91/78/1195009178.db2.gz LKAMVEIDWXZSQZ-LSDHHAIUSA-N 0 3 381.498 0.838 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000515947496 1195012015 /nfs/dbraw/zinc/01/20/15/1195012015.db2.gz JSMRVKYNZBAMMT-ZDUSSCGKSA-N 0 3 383.470 0.341 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H](C)NC[C@@H]2C)C1 ZINC000505841816 1195012595 /nfs/dbraw/zinc/01/25/95/1195012595.db2.gz YOPLNQDSLPJHEP-HUBLWGQQSA-N 0 3 384.502 0.901 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H](C)NC[C@H]2C)C1 ZINC000505841818 1195012656 /nfs/dbraw/zinc/01/26/56/1195012656.db2.gz YOPLNQDSLPJHEP-ZOWXZIJZSA-N 0 3 384.502 0.901 20 0 GCADHN O=C([C@H]1CNCc2ccccc21)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000516058539 1195018984 /nfs/dbraw/zinc/01/89/84/1195018984.db2.gz GBOGQDXXOKEYIO-KRWDZBQOSA-N 0 3 390.465 0.536 20 0 GCADHN C[C@H](N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1)C(F)(F)F ZINC000516158759 1195027529 /nfs/dbraw/zinc/02/75/29/1195027529.db2.gz SOTSSPUNGXUFTO-KBPBESRZSA-N 0 3 376.423 0.778 20 0 GCADHN C[C@@H]1CN(Cc2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2)C[C@@H](C)O1 ZINC000516194671 1195030332 /nfs/dbraw/zinc/03/03/32/1195030332.db2.gz RASQQLXLOTWHKI-OHDICMOHSA-N 0 3 386.496 0.680 20 0 GCADHN C[C@@H]1CN(Cc2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2)C[C@@H](C)O1 ZINC000516194673 1195030776 /nfs/dbraw/zinc/03/07/76/1195030776.db2.gz RASQQLXLOTWHKI-VVWQDTPRSA-N 0 3 386.496 0.680 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000516254834 1195037493 /nfs/dbraw/zinc/03/74/93/1195037493.db2.gz FWOMIKPPAWBWMX-IBGZPJMESA-N 0 3 393.576 0.414 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@@H](O)CNC[C@H]1CCCCS1(=O)=O ZINC000516278543 1195038343 /nfs/dbraw/zinc/03/83/43/1195038343.db2.gz WRNLSTKLRKKVJX-LSDHHAIUSA-N 0 3 381.454 0.421 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C(F)(F)F)nn2C)CC1 ZINC000664584717 1195040301 /nfs/dbraw/zinc/04/03/01/1195040301.db2.gz IWZDAKTVIDNGQA-LLVKDONJSA-N 0 3 390.410 0.520 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCCCC1 ZINC000549984735 1195041011 /nfs/dbraw/zinc/04/10/11/1195041011.db2.gz FLVQENHHNFIQMD-INIZCTEOSA-N 0 3 394.516 0.217 20 0 GCADHN Cc1c(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)nnn1C1CC[NH2+]CC1 ZINC000436854725 1195041380 /nfs/dbraw/zinc/04/13/80/1195041380.db2.gz HDRHGKZXRKMGHC-UHFFFAOYSA-N 0 3 398.467 0.815 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000366653930 1195043344 /nfs/dbraw/zinc/04/33/44/1195043344.db2.gz NTDTUZYGUXDJON-KBAYOESNSA-N 0 3 394.541 0.389 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000366653923 1195043385 /nfs/dbraw/zinc/04/33/85/1195043385.db2.gz NTDTUZYGUXDJON-CGTJXYLNSA-N 0 3 394.541 0.389 20 0 GCADHN C[C@H](Sc1ncccc1C(=O)NCCN(C)CCO)C(=O)N1CCCC1 ZINC000925015178 1195051421 /nfs/dbraw/zinc/05/14/21/1195051421.db2.gz IKRWTWBACIRDGV-AWEZNQCLSA-N 0 3 380.514 0.839 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000516439436 1195051631 /nfs/dbraw/zinc/05/16/31/1195051631.db2.gz GRBXXUCLAPRVDY-INIZCTEOSA-N 0 3 396.532 0.320 20 0 GCADHN COc1ccc([C@@H](CO)N(C)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000516435486 1195053322 /nfs/dbraw/zinc/05/33/22/1195053322.db2.gz HAJGAZALDVIDAX-VQIMIIECSA-N 0 3 395.525 0.741 20 0 GCADHN CCCNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN(C)C)c2ccccc2O1 ZINC000288233514 1195053472 /nfs/dbraw/zinc/05/34/72/1195053472.db2.gz RUXIMWNWHATNDX-XJKSGUPXSA-N 0 3 376.457 0.373 20 0 GCADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@@H]1O ZINC000664594798 1195053516 /nfs/dbraw/zinc/05/35/16/1195053516.db2.gz HIDCEJONBHVBRH-ILXRZTDVSA-N 0 3 384.839 0.901 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CO1 ZINC000516465272 1195056637 /nfs/dbraw/zinc/05/66/37/1195056637.db2.gz AVQDYMCPOKPROK-DGCLKSJQSA-N 0 3 376.413 0.388 20 0 GCADHN CCN(CCO)CCNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000516518862 1195062340 /nfs/dbraw/zinc/06/23/40/1195062340.db2.gz PUZRKGPDHZLVGL-UHFFFAOYSA-N 0 3 379.482 0.549 20 0 GCADHN CCOC(=O)Cn1cnc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000425704890 1195063005 /nfs/dbraw/zinc/06/30/05/1195063005.db2.gz TYDNZSBMVYIXJY-ZBFHGGJFSA-N 0 3 386.456 1.483 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)c1 ZINC000516658317 1195080811 /nfs/dbraw/zinc/08/08/11/1195080811.db2.gz VQNSOTSZLPKOAL-KRWDZBQOSA-N 0 3 394.541 0.657 20 0 GCADHN CC(C)OCCCCNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000516674902 1195082331 /nfs/dbraw/zinc/08/23/31/1195082331.db2.gz MODKNVCKTBZJCP-SFHVURJKSA-N 0 3 382.549 0.935 20 0 GCADHN CSCc1noc(CCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000437212797 1195084113 /nfs/dbraw/zinc/08/41/13/1195084113.db2.gz HDZQEHKJXWPACM-UHFFFAOYSA-N 0 3 381.502 0.632 20 0 GCADHN COc1ccccc1C(=O)NCC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000516745941 1195091491 /nfs/dbraw/zinc/09/14/91/1195091491.db2.gz YJUDOFBHDPGYBV-OAHLLOKOSA-N 0 3 390.484 0.532 20 0 GCADHN Cc1c(C(=O)Nc2ccc3c(c2)CNCCO3)cnc2c1c(=O)n(C)c(=O)n2C ZINC000516773602 1195093658 /nfs/dbraw/zinc/09/36/58/1195093658.db2.gz WSILCFFGAKMNKW-UHFFFAOYSA-N 0 3 395.419 0.675 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4c5c(cccc53)CC4)CCN2C1=O ZINC000516787177 1195096007 /nfs/dbraw/zinc/09/60/07/1195096007.db2.gz PEUFJSHJIZPWJX-ZBFHGGJFSA-N 0 3 378.432 0.647 20 0 GCADHN Cc1ccc([C@H](CNC(=O)C(=O)N(C)CCN2CCCC2)N2CCOCC2)o1 ZINC000516855675 1195103886 /nfs/dbraw/zinc/10/38/86/1195103886.db2.gz KNIMTOPAYPBDBR-KRWDZBQOSA-N 0 3 392.500 0.632 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)C(=O)N(C)CCN2CCCC2)N2CCOCC2)o1 ZINC000516855676 1195103970 /nfs/dbraw/zinc/10/39/70/1195103970.db2.gz KNIMTOPAYPBDBR-QGZVFWFLSA-N 0 3 392.500 0.632 20 0 GCADHN CN1CCN(CCCNC(=O)CCNS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC000516843521 1195104838 /nfs/dbraw/zinc/10/48/38/1195104838.db2.gz VFUQEAJXQCASIF-QGZVFWFLSA-N 0 3 382.530 0.421 20 0 GCADHN C[C@@H](O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000506055533 1195113672 /nfs/dbraw/zinc/11/36/72/1195113672.db2.gz FDZCPDMWMUXLDO-SJLPKXTDSA-N 0 3 395.525 0.363 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425811541 1195113752 /nfs/dbraw/zinc/11/37/52/1195113752.db2.gz LQCDQCQKVAXSKI-XJKSGUPXSA-N 0 3 375.425 0.730 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc4c(c3)S(=O)(=O)CC4)[C@@H]2C1 ZINC000425821286 1195122372 /nfs/dbraw/zinc/12/23/72/1195122372.db2.gz QONWIFOTRNROGD-DZGCQCFKSA-N 0 3 377.466 0.508 20 0 GCADHN CCCCN1CCc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc21 ZINC000517042565 1195128524 /nfs/dbraw/zinc/12/85/24/1195128524.db2.gz YLOOTYDVRMANEM-SJORKVTESA-N 0 3 399.495 0.558 20 0 GCADHN Cc1cc(N2CCC(NC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)CC2)n[nH]1 ZINC000894338999 1195130749 /nfs/dbraw/zinc/13/07/49/1195130749.db2.gz XDLICVIESASODD-DLBZAZTESA-N 0 3 376.505 0.928 20 0 GCADHN CCC(C)(C)NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001270244621 1195132412 /nfs/dbraw/zinc/13/24/12/1195132412.db2.gz MCCTVGQBENNNMA-UIBIWLFHSA-N 0 3 381.517 0.923 20 0 GCADHN CN1CC[C@H](CNC(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1=O ZINC000425874939 1195142351 /nfs/dbraw/zinc/14/23/51/1195142351.db2.gz SBWXVFXSPVPURP-INIZCTEOSA-N 0 3 386.496 0.536 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000425870418 1195142788 /nfs/dbraw/zinc/14/27/88/1195142788.db2.gz WGZNJOYLCHGNIZ-GOSISDBHSA-N 0 3 390.528 0.975 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)c1 ZINC000517164949 1195144838 /nfs/dbraw/zinc/14/48/38/1195144838.db2.gz OIVJVPSFNDLGSF-UHFFFAOYSA-N 0 3 390.465 0.651 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425879868 1195145446 /nfs/dbraw/zinc/14/54/46/1195145446.db2.gz BIKRXLQNQVVJGF-WJFTUGDTSA-N 0 3 398.507 0.750 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1nc2ccccc2[nH]1 ZINC000517177333 1195147405 /nfs/dbraw/zinc/14/74/05/1195147405.db2.gz NWSCXPBOJFSIIQ-ZENOOKHLSA-N 0 3 398.467 0.147 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000425887295 1195151708 /nfs/dbraw/zinc/15/17/08/1195151708.db2.gz RCHCGAYYCSKELI-UHFFFAOYSA-N 0 3 390.528 0.804 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)Cc2ccccc2C1 ZINC000425886444 1195152182 /nfs/dbraw/zinc/15/21/82/1195152182.db2.gz MJDCKJODZXPKQU-HNNXBMFYSA-N 0 3 386.496 0.186 20 0 GCADHN COc1ccnc(CNC(=O)C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)n1 ZINC000425902565 1195160830 /nfs/dbraw/zinc/16/08/30/1195160830.db2.gz VXVNPDSVGJHXNO-MRXNPFEDSA-N 0 3 398.467 0.477 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CCSCC3)C2)CCO1 ZINC000517261693 1195164041 /nfs/dbraw/zinc/16/40/41/1195164041.db2.gz BFWGJALLMSPREW-LSDHHAIUSA-N 0 3 385.530 0.336 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000425911022 1195165404 /nfs/dbraw/zinc/16/54/04/1195165404.db2.gz ZUGQJGSNEHONOG-KRWDZBQOSA-N 0 3 380.533 0.689 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000414915866 1195169203 /nfs/dbraw/zinc/16/92/03/1195169203.db2.gz NIQWNEQQYJGXHR-BXUZGUMPSA-N 0 3 375.429 0.973 20 0 GCADHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000517401405 1195176693 /nfs/dbraw/zinc/17/66/93/1195176693.db2.gz LKOXQSNFEMLODE-LLVKDONJSA-N 0 3 398.514 0.758 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000437972267 1195177402 /nfs/dbraw/zinc/17/74/02/1195177402.db2.gz AWJZNZXFKLDUBZ-WBVHZDCISA-N 0 3 384.521 0.216 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCCN(c4cccc(F)c4)C3)CCN2C1=O ZINC000517394547 1195178507 /nfs/dbraw/zinc/17/85/07/1195178507.db2.gz LSPOFRJSHLERLH-DJIMGWMZSA-N 0 3 375.448 0.748 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)C[C@@H]1O ZINC000664670053 1195180953 /nfs/dbraw/zinc/18/09/53/1195180953.db2.gz KITHVSNXTCUEAI-HOTGVXAUSA-N 0 3 382.486 0.043 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000425946283 1195185376 /nfs/dbraw/zinc/18/53/76/1195185376.db2.gz VAIYHYPJDNWZPP-UHFFFAOYSA-N 0 3 391.447 0.403 20 0 GCADHN CCN1C(=O)CC[C@H](C(=O)NC[C@]2(O)CN3CCC2CC3)[C@@H]1c1cnn(C)c1 ZINC000517757042 1195213476 /nfs/dbraw/zinc/21/34/76/1195213476.db2.gz OORHLEMGIJNLNV-QRFRQXIXSA-N 0 3 389.500 0.293 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2ccccc2)C[C@H](C)O1 ZINC000517746145 1195214057 /nfs/dbraw/zinc/21/40/57/1195214057.db2.gz UJGDRLUJCAIXCW-IYBDPMFKSA-N 0 3 383.514 0.971 20 0 GCADHN CC1(C)COCCN1CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000517746770 1195214177 /nfs/dbraw/zinc/21/41/77/1195214177.db2.gz YMPBGNWXMVXEPG-UHFFFAOYSA-N 0 3 381.521 0.047 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cccc4ccccc43)CCN2C1=O ZINC000517759255 1195214546 /nfs/dbraw/zinc/21/45/46/1195214546.db2.gz RXRRNFGFDXQUQW-ZWQIFLOQSA-N 0 3 392.459 0.582 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(-c3cccnc3)on2)CC1=O ZINC000517765583 1195215415 /nfs/dbraw/zinc/21/54/15/1195215415.db2.gz AEULPWZXFUYYOU-HNNXBMFYSA-N 0 3 387.440 0.646 20 0 GCADHN CN1CCN(CCCCNC(=O)NCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000517773648 1195215946 /nfs/dbraw/zinc/21/59/46/1195215946.db2.gz QMAUZRCOKWRKLL-UHFFFAOYSA-N 0 3 387.484 0.609 20 0 GCADHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1csc(NC=O)n1 ZINC001270348309 1195217524 /nfs/dbraw/zinc/21/75/24/1195217524.db2.gz ATTJMAZOJPYTCW-ZIAGYGMSSA-N 0 3 379.486 0.407 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000293055411 1195220667 /nfs/dbraw/zinc/22/06/67/1195220667.db2.gz PPKUHOBAFADNID-GUYCJALGSA-N 0 3 396.513 0.837 20 0 GCADHN COC(=O)[C@@](C)(CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)cc1 ZINC000517845397 1195222679 /nfs/dbraw/zinc/22/26/79/1195222679.db2.gz OFVDDAIZVCUGBN-VLIAUNLRSA-N 0 3 393.459 0.783 20 0 GCADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000414933625 1195222897 /nfs/dbraw/zinc/22/28/97/1195222897.db2.gz AXCJKSSKNJMPSN-HNNXBMFYSA-N 0 3 399.495 0.383 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000517836094 1195223384 /nfs/dbraw/zinc/22/33/84/1195223384.db2.gz SNBMKRVRDOVZSO-UHFFFAOYSA-N 0 3 397.541 0.567 20 0 GCADHN Cc1nc(C(=O)N(C)C)ccc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000517851402 1195224449 /nfs/dbraw/zinc/22/44/49/1195224449.db2.gz OWVRRQWEISJCIA-KRWDZBQOSA-N 0 3 389.500 0.764 20 0 GCADHN CCN(CC)CC(=O)N1CCC2(CCN(CCS(=O)(=O)CC)C2=O)CC1 ZINC001270358802 1195226232 /nfs/dbraw/zinc/22/62/32/1195226232.db2.gz PNHOJFSRNUDYRU-UHFFFAOYSA-N 0 3 387.546 0.604 20 0 GCADHN CCN(CC)CC(=O)N1C[C@@]2(F)C(=O)N(C[C@H](C)C(=O)OC)C[C@@]2(F)C1 ZINC001270358424 1195226805 /nfs/dbraw/zinc/22/68/05/1195226805.db2.gz LZTWMRKPHKEGRW-JCURWCKSSA-N 0 3 375.416 0.238 20 0 GCADHN CCN(CC)CC(=O)N1C[C@@]2(F)C(=O)N(CC(=O)OC(C)C)C[C@@]2(F)C1 ZINC001270359653 1195226854 /nfs/dbraw/zinc/22/68/54/1195226854.db2.gz YTPSMXMKQQVOPB-IAGOWNOFSA-N 0 3 375.416 0.381 20 0 GCADHN CO[C@@H]1COC[C@H]1NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000517932947 1195230005 /nfs/dbraw/zinc/23/00/05/1195230005.db2.gz XZKNCHPGMWPKQZ-IAGOWNOFSA-N 0 3 386.470 0.090 20 0 GCADHN C[C@H](NC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C)C1=CCN(C)CC1 ZINC000517996343 1195237267 /nfs/dbraw/zinc/23/72/67/1195237267.db2.gz VEQYVQAXBGNGLY-GOEBONIOSA-N 0 3 387.550 0.597 20 0 GCADHN CCOCCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000518104861 1195249153 /nfs/dbraw/zinc/24/91/53/1195249153.db2.gz MNRZMDJEAJQLMA-UHFFFAOYSA-N 0 3 376.457 0.475 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000506396780 1195257659 /nfs/dbraw/zinc/25/76/59/1195257659.db2.gz OFYFQSZGWGHTJO-IRXDYDNUSA-N 0 3 386.496 0.233 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)Cc2ccccc2C1 ZINC000506400038 1195258218 /nfs/dbraw/zinc/25/82/18/1195258218.db2.gz JHUNNEPSWPAVIV-MSOLQXFVSA-N 0 3 398.507 0.471 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)Cc2ccccc2C1 ZINC000506400045 1195258230 /nfs/dbraw/zinc/25/82/30/1195258230.db2.gz JHUNNEPSWPAVIV-ROUUACIJSA-N 0 3 398.507 0.471 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1=O ZINC000426192694 1195260276 /nfs/dbraw/zinc/26/02/76/1195260276.db2.gz QVTTZZOKAIADKE-GDBMZVCRSA-N 0 3 396.488 0.045 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000664725449 1195261129 /nfs/dbraw/zinc/26/11/29/1195261129.db2.gz KOCAPGNYQDKDBB-QGZVFWFLSA-N 0 3 395.548 0.972 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOC3(CNC3)C2)C(C)C)cc1 ZINC000664724779 1195262025 /nfs/dbraw/zinc/26/20/25/1195262025.db2.gz HEHYNHOELVSSJK-MRXNPFEDSA-N 0 3 381.498 0.499 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CCSC[C@@H]2CCO)Cc2ccccc2C1 ZINC000506424025 1195264357 /nfs/dbraw/zinc/26/43/57/1195264357.db2.gz UXJVYQODMCYANK-KRWDZBQOSA-N 0 3 391.537 0.528 20 0 GCADHN O=C(CN1CCC[C@@H]1CCO)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000426218547 1195266361 /nfs/dbraw/zinc/26/63/61/1195266361.db2.gz UFDIXNXMUJCXRW-GOSISDBHSA-N 0 3 395.525 0.507 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)CCN2C1=O ZINC000518218594 1195266973 /nfs/dbraw/zinc/26/69/73/1195266973.db2.gz OMIRAJGNKVRBBO-JSGCOSHPSA-N 0 3 390.419 0.521 20 0 GCADHN C[C@@H]1COCCN1CCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000506435729 1195269725 /nfs/dbraw/zinc/26/97/25/1195269725.db2.gz AVKKXHAOPBEFKU-MRXNPFEDSA-N 0 3 388.512 0.039 20 0 GCADHN CCOC(=O)c1ccc(N2CC(NC(=O)N[C@@H]3CCN(CCOC)C3)C2)nc1 ZINC000544284108 1195274583 /nfs/dbraw/zinc/27/45/83/1195274583.db2.gz KWOKSICIDUUVGV-OAHLLOKOSA-N 0 3 391.472 0.467 20 0 GCADHN CCOCCCN1CC[C@H](NS(=O)(=O)c2cnn(CCOC)c2)[C@H](C)C1 ZINC000438986515 1195274844 /nfs/dbraw/zinc/27/48/44/1195274844.db2.gz QXENTRFGALOJNC-WBVHZDCISA-N 0 3 388.534 0.945 20 0 GCADHN CCOC(=O)[C@@H]1CN(CCN(C)C)C(=O)C12CCN(C(=O)CSC)CC2 ZINC001270425107 1195276751 /nfs/dbraw/zinc/27/67/51/1195276751.db2.gz UBFXRZSFTBVOQR-AWEZNQCLSA-N 0 3 385.530 0.541 20 0 GCADHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000518398122 1195286650 /nfs/dbraw/zinc/28/66/50/1195286650.db2.gz NQXVLGOBNQWEAX-NFAWXSAZSA-N 0 3 384.436 0.689 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)C(Cl)(Cl)C(F)(F)F)C2)OCC1=O ZINC001270448682 1195289575 /nfs/dbraw/zinc/28/95/75/1195289575.db2.gz RSIINXYAAXFOBR-UHFFFAOYSA-N 0 3 392.205 0.724 20 0 GCADHN CNS(=O)(=O)CCN[C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000439135540 1195290386 /nfs/dbraw/zinc/29/03/86/1195290386.db2.gz PAIYVHFHRBCQDB-GFCCVEGCSA-N 0 3 382.486 0.891 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000426290970 1195291384 /nfs/dbraw/zinc/29/13/84/1195291384.db2.gz QBLXNDPNRKXCDA-JYJNAYRXSA-N 0 3 379.505 0.382 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000518471174 1195293275 /nfs/dbraw/zinc/29/32/75/1195293275.db2.gz PNKAGLVCNLDNTR-SFHVURJKSA-N 0 3 395.548 0.293 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000439212170 1195297260 /nfs/dbraw/zinc/29/72/60/1195297260.db2.gz PCONYZYPVWAIOJ-UHFFFAOYSA-N 0 3 389.424 0.861 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)c(OCC(=O)N(C)C)c1 ZINC000439214464 1195297842 /nfs/dbraw/zinc/29/78/42/1195297842.db2.gz KASXHAYCNSPULL-UHFFFAOYSA-N 0 3 390.484 0.955 20 0 GCADHN Cc1oc2ccccc2c1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000518565905 1195302701 /nfs/dbraw/zinc/30/27/01/1195302701.db2.gz RLTKWNFWNBEHHV-XJKSGUPXSA-N 0 3 384.436 0.170 20 0 GCADHN CN(C)[C@H]1CN(C(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1O ZINC000518560839 1195303496 /nfs/dbraw/zinc/30/34/96/1195303496.db2.gz DXQBTFCMHPETFE-IRXDYDNUSA-N 0 3 384.498 0.773 20 0 GCADHN CC(C)(C)CN(CCCO)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000518582168 1195304149 /nfs/dbraw/zinc/30/41/49/1195304149.db2.gz FQCSFCIEQLBBGQ-UHFFFAOYSA-N 0 3 384.565 0.776 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cc(N2CCOCC2)ccn1 ZINC000439340096 1195309965 /nfs/dbraw/zinc/30/99/65/1195309965.db2.gz LFTNIWLYRCGYFW-UHFFFAOYSA-N 0 3 391.516 0.038 20 0 GCADHN CCS(=O)(=O)CCN1CC[C@@]2(CCN(C(=O)[C@H](C)N3CCCC3)C2)C1=O ZINC001270491466 1195320443 /nfs/dbraw/zinc/32/04/43/1195320443.db2.gz WGYIJONDJSDGGI-YJBOKZPZSA-N 0 3 385.530 0.356 20 0 GCADHN CC[C@@H](NC(=O)NC1CCN(CCOC(C)C)CC1)C(=O)N1CCOCC1 ZINC000439460412 1195322046 /nfs/dbraw/zinc/32/20/46/1195322046.db2.gz GZKLFEXJZJZNRL-QGZVFWFLSA-N 0 3 384.521 0.812 20 0 GCADHN CN1CCN(CCCCNC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000518749387 1195327307 /nfs/dbraw/zinc/32/73/07/1195327307.db2.gz NWPQLEPJUNWIGC-CALCHBBNSA-N 0 3 378.517 0.696 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)C(=O)N(C)CCNC(=O)N(C)C)c1ccccc1 ZINC000550018334 1195332521 /nfs/dbraw/zinc/33/25/21/1195332521.db2.gz HFPDPRAMPDCKDP-KRWDZBQOSA-N 0 3 391.516 0.915 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000297371913 1195336637 /nfs/dbraw/zinc/33/66/37/1195336637.db2.gz LTGSPOLAJNNRFV-INIZCTEOSA-N 0 3 383.518 0.519 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2c1CCCC2 ZINC000439636269 1195337971 /nfs/dbraw/zinc/33/79/71/1195337971.db2.gz CRUVTJXPFSKMSG-UHFFFAOYSA-N 0 3 377.485 0.903 20 0 GCADHN Cc1cc2cc(NC(=O)C(=O)N(CCOCCO)CCN(C)C)ccc2[nH]1 ZINC000439630961 1195339057 /nfs/dbraw/zinc/33/90/57/1195339057.db2.gz CVBRPQQNRMQURV-UHFFFAOYSA-N 0 3 376.457 0.814 20 0 GCADHN COC(=O)[C@H]1CC12CCN(C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)CC2 ZINC000506643087 1195339993 /nfs/dbraw/zinc/33/99/93/1195339993.db2.gz NYOCSFCGPJJOAW-CVEARBPZSA-N 0 3 394.516 0.914 20 0 GCADHN NC(=O)c1ncn(C2CCN(C[C@@H](O)COc3ccccc3F)CC2)c1N ZINC000297645932 1195342660 /nfs/dbraw/zinc/34/26/60/1195342660.db2.gz MYHBQUFPSUIRPO-CYBMUJFWSA-N 0 3 377.420 0.780 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N(C)Cc1cc(OC)cc(OC)c1 ZINC000297665651 1195343087 /nfs/dbraw/zinc/34/30/87/1195343087.db2.gz KVXHWXXYMCJQPS-UHFFFAOYSA-N 0 3 381.473 0.699 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N(CCOC)CCN(C)C)n(C)c1 ZINC000729433369 1195343478 /nfs/dbraw/zinc/34/34/78/1195343478.db2.gz SGRAJQNSHHIZAH-UHFFFAOYSA-N 0 3 388.534 0.706 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 ZINC000439843755 1195358486 /nfs/dbraw/zinc/35/84/86/1195358486.db2.gz LARLAUDSGFOSDM-UHFFFAOYSA-N 0 3 397.863 0.239 20 0 GCADHN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@@H](CO)C1CCOCC1 ZINC000519021205 1195360672 /nfs/dbraw/zinc/36/06/72/1195360672.db2.gz GAGHKIIFKAJCCN-INIZCTEOSA-N 0 3 379.457 0.435 20 0 GCADHN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000519024643 1195361279 /nfs/dbraw/zinc/36/12/79/1195361279.db2.gz YOURFCYVJWGUNR-STQMWFEESA-N 0 3 390.406 0.353 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCCc1ccn(C)n1 ZINC000519028119 1195361956 /nfs/dbraw/zinc/36/19/56/1195361956.db2.gz BFZZVDBNIKTUJN-UHFFFAOYSA-N 0 3 393.438 0.947 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2cc(C)nc3nc(C(=O)OC)nn32)CC1 ZINC000519050425 1195364759 /nfs/dbraw/zinc/36/47/59/1195364759.db2.gz WOZKELLZECXPJN-UHFFFAOYSA-N 0 3 389.460 0.210 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000519110447 1195370470 /nfs/dbraw/zinc/37/04/70/1195370470.db2.gz DUKRALUTIBIXCB-UHFFFAOYSA-N 0 3 386.493 0.824 20 0 GCADHN CCNC(=O)NC1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCC1 ZINC000519135299 1195373642 /nfs/dbraw/zinc/37/36/42/1195373642.db2.gz YZSBUIGOYDFASK-OAHLLOKOSA-N 0 3 381.521 0.677 20 0 GCADHN COC[C@H](C)n1ccc(NC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)n1 ZINC000426561378 1195381593 /nfs/dbraw/zinc/38/15/93/1195381593.db2.gz VNIUASGFFJKHNQ-AWEZNQCLSA-N 0 3 395.504 1.035 20 0 GCADHN CN1CC[C@@H]([NH+]2CCC(NC(=O)c3[n-]nc4ccc([N+](=O)[O-])cc43)CC2)C1=O ZINC000519219169 1195382984 /nfs/dbraw/zinc/38/29/84/1195382984.db2.gz KDBYGTUHDDBBOQ-OAHLLOKOSA-N 0 3 386.412 0.896 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000519366442 1195395985 /nfs/dbraw/zinc/39/59/85/1195395985.db2.gz XXGDOYOLDGLZDU-CQSZACIVSA-N 0 3 379.417 0.231 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@]1(C)CCCO ZINC000519367621 1195396116 /nfs/dbraw/zinc/39/61/16/1195396116.db2.gz NMXTZGVOXXMDNN-UZLBHIALSA-N 0 3 396.532 0.199 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C)C[C@H]3C)cc2)CC1 ZINC000440262365 1195396958 /nfs/dbraw/zinc/39/69/58/1195396958.db2.gz BTBAHHYULTXDME-QGZVFWFLSA-N 0 3 387.528 0.925 20 0 GCADHN Cc1c(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cccc1-n1cnnn1 ZINC000519377756 1195397081 /nfs/dbraw/zinc/39/70/81/1195397081.db2.gz SAZQRDSOYZMEAI-HNNXBMFYSA-N 0 3 383.456 0.996 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000440269297 1195398746 /nfs/dbraw/zinc/39/87/46/1195398746.db2.gz ULAZWGSKSVVIMY-UHFFFAOYSA-N 0 3 376.505 0.809 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000440277221 1195400209 /nfs/dbraw/zinc/40/02/09/1195400209.db2.gz XOMMVGYGINMMLP-UHFFFAOYSA-N 0 3 399.499 0.361 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000519455090 1195408873 /nfs/dbraw/zinc/40/88/73/1195408873.db2.gz NIWJNLUWEHOBIO-MRXNPFEDSA-N 0 3 397.438 0.623 20 0 GCADHN Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000506828879 1195412232 /nfs/dbraw/zinc/41/22/32/1195412232.db2.gz YXDPOJRNACHWCK-CZUORRHYSA-N 0 3 380.489 0.908 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)Cc1ccccc1 ZINC000550034712 1195416950 /nfs/dbraw/zinc/41/69/50/1195416950.db2.gz DWTYDANFFJYLON-SFHVURJKSA-N 0 3 388.512 0.257 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)Cc1ccccc1 ZINC000550034711 1195417046 /nfs/dbraw/zinc/41/70/46/1195417046.db2.gz DWTYDANFFJYLON-GOSISDBHSA-N 0 3 388.512 0.257 20 0 GCADHN CNC(=O)C1CCC(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000550034741 1195417219 /nfs/dbraw/zinc/41/72/19/1195417219.db2.gz FPFQZPBUAGXFRB-ABHNRTSZSA-N 0 3 388.512 0.697 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N[C@H](CC2CC2)c2ccccc2)CC1=O ZINC000653398841 1195420180 /nfs/dbraw/zinc/42/01/80/1195420180.db2.gz SEEIPKKFHGJFGG-GOSISDBHSA-N 0 3 386.496 0.876 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)NCCCN1C(=O)CCC1=O ZINC000460265066 1195422052 /nfs/dbraw/zinc/42/20/52/1195422052.db2.gz QEZQQNMLGDRGIF-UHFFFAOYSA-N 0 3 381.521 0.585 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1=O ZINC000550038116 1195422545 /nfs/dbraw/zinc/42/25/45/1195422545.db2.gz ZLRSUDQAOVQPTK-GOSISDBHSA-N 0 3 388.512 0.602 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12)Cc1ccccc1 ZINC000550038107 1195422866 /nfs/dbraw/zinc/42/28/66/1195422866.db2.gz ZJOAUIPCUWRAQV-KSZLIROESA-N 0 3 386.496 0.545 20 0 GCADHN CN1CC[C@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)CC1=O ZINC000110855136 1195431777 /nfs/dbraw/zinc/43/17/77/1195431777.db2.gz SZKWUAKFKUZWAU-SFHVURJKSA-N 0 3 386.496 0.997 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550096825 1195435260 /nfs/dbraw/zinc/43/52/60/1195435260.db2.gz LPKKOCQETDGRMH-KSZLIROESA-N 0 3 398.548 0.075 20 0 GCADHN C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)NCCN1CCCCC1 ZINC000550112036 1195439282 /nfs/dbraw/zinc/43/92/82/1195439282.db2.gz JTVWVDYKZSMVKG-CQSZACIVSA-N 0 3 381.498 0.811 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)c1nc(N)nc(C(F)(F)C(F)(F)F)n1 ZINC000894547845 1195443707 /nfs/dbraw/zinc/44/37/07/1195443707.db2.gz VTEKANYBNAVJRJ-UHFFFAOYSA-N 0 3 385.341 0.564 20 0 GCADHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000120757060 1195446098 /nfs/dbraw/zinc/44/60/98/1195446098.db2.gz IAOVLYUGWFMNPH-LSDHHAIUSA-N 0 3 389.504 0.623 20 0 GCADHN C[N@@H+]1C[C@H]2CCN(C(=O)NCC[N-]S(=O)(=O)c3ccc(F)cc3F)[C@H]2C1 ZINC000894599498 1195450797 /nfs/dbraw/zinc/45/07/97/1195450797.db2.gz MUINSRWUXZKBOG-RISCZKNCSA-N 0 3 388.440 0.589 20 0 GCADHN C[N@H+]1C[C@H]2CCN(C(=O)NCC[N-]S(=O)(=O)c3ccc(F)cc3F)[C@H]2C1 ZINC000894599498 1195450799 /nfs/dbraw/zinc/45/07/99/1195450799.db2.gz MUINSRWUXZKBOG-RISCZKNCSA-N 0 3 388.440 0.589 20 0 GCADHN C[C@H]1CC[N@H+](CCNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000894600042 1195450868 /nfs/dbraw/zinc/45/08/68/1195450868.db2.gz YOKUGKWYZVEDAJ-LBPRGKRZSA-N 0 3 390.456 0.884 20 0 GCADHN C[C@H]1CC[N@@H+](CCNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000894600042 1195450869 /nfs/dbraw/zinc/45/08/69/1195450869.db2.gz YOKUGKWYZVEDAJ-LBPRGKRZSA-N 0 3 390.456 0.884 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000647958747 1195457731 /nfs/dbraw/zinc/45/77/31/1195457731.db2.gz ZMYKMDYKGXJDNJ-OAHLLOKOSA-N 0 3 395.460 0.548 20 0 GCADHN CN(Cc1cnn(C)c1)C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000550223311 1195466124 /nfs/dbraw/zinc/46/61/24/1195466124.db2.gz CVTLSIJVDADZQO-UHFFFAOYSA-N 0 3 399.495 0.652 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)C(=O)N1CCNC(=O)[C@H]1C)c1cccc(OC)c1 ZINC000550237756 1195466776 /nfs/dbraw/zinc/46/67/76/1195466776.db2.gz XVIHSRAFJYEMEF-PBHICJAKSA-N 0 3 390.484 0.541 20 0 GCADHN CC(C)C[C@@]1(CO)CCCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000473812056 1195468964 /nfs/dbraw/zinc/46/89/64/1195468964.db2.gz YDRKEYQYLJIWMM-HXUWFJFHSA-N 0 3 384.565 0.959 20 0 GCADHN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894772836 1195469868 /nfs/dbraw/zinc/46/98/68/1195469868.db2.gz DZFWGDYJWIRAKZ-OKZBNKHCSA-N 0 3 393.532 0.907 20 0 GCADHN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894809847 1195474352 /nfs/dbraw/zinc/47/43/52/1195474352.db2.gz BLXBOEDFTAIYRX-KKUMJFAQSA-N 0 3 394.438 0.490 20 0 GCADHN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894809845 1195474693 /nfs/dbraw/zinc/47/46/93/1195474693.db2.gz BLXBOEDFTAIYRX-KFWWJZLASA-N 0 3 394.438 0.490 20 0 GCADHN COC(=O)CN(C)C(=O)CCN1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000426771750 1195481278 /nfs/dbraw/zinc/48/12/78/1195481278.db2.gz GGUPTIXOGPJYPB-CQSZACIVSA-N 0 3 397.476 0.306 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000550278587 1195482855 /nfs/dbraw/zinc/48/28/55/1195482855.db2.gz XAFAFBHUMWKVFU-MSOLQXFVSA-N 0 3 382.549 0.840 20 0 GCADHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CNC(=O)C1 ZINC000440483604 1195485709 /nfs/dbraw/zinc/48/57/09/1195485709.db2.gz YXTMUXXEYPSNFU-HOTGVXAUSA-N 0 3 396.451 0.273 20 0 GCADHN COC1(C)CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000440485585 1195493806 /nfs/dbraw/zinc/49/38/06/1195493806.db2.gz IKMKMJQKMCGNGO-UHFFFAOYSA-N 0 3 388.468 0.570 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@H](C)S1(=O)=O ZINC000415219956 1195493854 /nfs/dbraw/zinc/49/38/54/1195493854.db2.gz NJERDNGWNYVCPP-SWLSCSKDSA-N 0 3 395.481 0.531 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N[C@H]3CCC(=O)N(C)C3=O)cc2)CC1 ZINC000519595911 1195505596 /nfs/dbraw/zinc/50/55/96/1195505596.db2.gz LFSYSDYFWBGDIV-KRWDZBQOSA-N 0 3 387.484 0.381 20 0 GCADHN COc1ccc(CCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1S(N)(=O)=O ZINC000507409998 1195517777 /nfs/dbraw/zinc/51/77/77/1195517777.db2.gz SNGSDNSODNOFFC-HNNXBMFYSA-N 0 3 396.513 0.763 20 0 GCADHN COc1ccc(CCNC(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1S(N)(=O)=O ZINC000507414633 1195518650 /nfs/dbraw/zinc/51/86/50/1195518650.db2.gz PSUMMZMJPCEPHW-OCCSQVGLSA-N 0 3 384.502 0.667 20 0 GCADHN C[C@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)C(=O)NCCF ZINC000507591139 1195537366 /nfs/dbraw/zinc/53/73/66/1195537366.db2.gz QKSNDZMPWKPFMZ-AWEZNQCLSA-N 0 3 380.464 0.917 20 0 GCADHN CO[C@H](CNC(=O)[C@H]1CCCN1C1CC1)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000427467849 1195543256 /nfs/dbraw/zinc/54/32/56/1195543256.db2.gz XAZIKTWYMNDFBS-NNZMDNLPSA-N 0 3 378.517 0.487 20 0 GCADHN COC[C@H](CNC(=O)[C@@H]1CCCN1C1CC1)NC(=O)[C@H]1CCCN1C1CC1 ZINC000427496241 1195545852 /nfs/dbraw/zinc/54/58/52/1195545852.db2.gz VELUTEDSDBBYIP-JCGIZDLHSA-N 0 3 378.517 0.487 20 0 GCADHN Cc1csc([C@H](C)CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)n1 ZINC000507712524 1195549806 /nfs/dbraw/zinc/54/98/06/1195549806.db2.gz CZTCCGLFHSPTMT-CQSZACIVSA-N 0 3 381.546 0.767 20 0 GCADHN COc1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC000550300833 1195554065 /nfs/dbraw/zinc/55/40/65/1195554065.db2.gz ZEXPPJVFZQOIAL-GOSISDBHSA-N 0 3 388.512 0.938 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cc2ccccc2n(C)c1=O ZINC000664943823 1195558539 /nfs/dbraw/zinc/55/85/39/1195558539.db2.gz DPNVSIXSFGDUEE-UHFFFAOYSA-N 0 3 387.484 0.700 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000519675867 1195562454 /nfs/dbraw/zinc/56/24/54/1195562454.db2.gz YWUYMYQMTKYKIK-DOTOQJQBSA-N 0 3 393.532 0.787 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000519675867 1195562455 /nfs/dbraw/zinc/56/24/55/1195562455.db2.gz YWUYMYQMTKYKIK-DOTOQJQBSA-N 0 3 393.532 0.787 20 0 GCADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000519704045 1195563900 /nfs/dbraw/zinc/56/39/00/1195563900.db2.gz GHSZHDBJYLYRTP-HKUYNNGSSA-N 0 3 398.507 0.836 20 0 GCADHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)CCN2C1=O ZINC000519702185 1195564202 /nfs/dbraw/zinc/56/42/02/1195564202.db2.gz DSTKKPRXJPBYLB-IAGOWNOFSA-N 0 3 394.479 0.932 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4ccccc4Cl)CC3)CCN2C1=O ZINC000519715909 1195567060 /nfs/dbraw/zinc/56/70/60/1195567060.db2.gz STPJUDBYWDUOQJ-DOMZBBRYSA-N 0 3 390.871 0.258 20 0 GCADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCCOC1CCOCC1 ZINC000519717267 1195567067 /nfs/dbraw/zinc/56/70/67/1195567067.db2.gz ZTTDXZUJOOPMGM-SFHVURJKSA-N 0 3 375.469 0.773 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000519766986 1195568227 /nfs/dbraw/zinc/56/82/27/1195568227.db2.gz QNQJYGGRYAZEIE-OAHLLOKOSA-N 0 3 392.504 0.984 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4nc(C5CC5)oc4c3)CCN2C1=O ZINC000519770756 1195568906 /nfs/dbraw/zinc/56/89/06/1195568906.db2.gz JTEUMWNSMWAIFK-STQMWFEESA-N 0 3 383.408 0.414 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000519774337 1195569093 /nfs/dbraw/zinc/56/90/93/1195569093.db2.gz WTDWNTIWVOQTTJ-IBGZPJMESA-N 0 3 388.512 0.810 20 0 GCADHN CCN1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1c1ncc[nH]1 ZINC000519774768 1195569388 /nfs/dbraw/zinc/56/93/88/1195569388.db2.gz OENZMHLKUFRQFZ-INIZCTEOSA-N 0 3 390.532 0.996 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000507729638 1195574643 /nfs/dbraw/zinc/57/46/43/1195574643.db2.gz ANFWITHMQFXXGC-UHFFFAOYSA-N 0 3 390.484 0.898 20 0 GCADHN CC(C)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n(-c2ncccn2)n1 ZINC000519832949 1195574714 /nfs/dbraw/zinc/57/47/14/1195574714.db2.gz LPMQXCXRFZBWQA-STQMWFEESA-N 0 3 384.444 0.561 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Cl ZINC000519834868 1195575275 /nfs/dbraw/zinc/57/52/75/1195575275.db2.gz VLKYSPXXUGVLHE-MWLCHTKSSA-N 0 3 396.831 0.066 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cn1 ZINC000440797461 1195582740 /nfs/dbraw/zinc/58/27/40/1195582740.db2.gz YQMGOKYLUSNZTB-UHFFFAOYSA-N 0 3 399.411 0.089 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)c3cc(Cl)c[nH]c3=O)C2)OCC1=O ZINC001270819788 1195584078 /nfs/dbraw/zinc/58/40/78/1195584078.db2.gz BRSPGHMULHYKJC-QGZVFWFLSA-N 0 3 382.848 0.446 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)nn1 ZINC000440810388 1195585083 /nfs/dbraw/zinc/58/50/83/1195585083.db2.gz VQFNMVIRLJNCKZ-INIZCTEOSA-N 0 3 386.456 0.915 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000440983068 1195592217 /nfs/dbraw/zinc/59/22/17/1195592217.db2.gz MRKCYBYNCQMSIG-QGZVFWFLSA-N 0 3 396.580 0.254 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000440981921 1195592490 /nfs/dbraw/zinc/59/24/90/1195592490.db2.gz KWSYYQQRPHWUGI-CABCVRRESA-N 0 3 380.489 0.666 20 0 GCADHN CN1CCN(CCNC(=O)NCc2cccc(NS(C)(=O)=O)c2)CC1(C)C ZINC000440975537 1195593416 /nfs/dbraw/zinc/59/34/16/1195593416.db2.gz GBEWXZIJBMPIIV-UHFFFAOYSA-N 0 3 397.545 0.883 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000188170327 1195594796 /nfs/dbraw/zinc/59/47/96/1195594796.db2.gz BOOVHIBNUZDRBP-UHFFFAOYSA-N 0 3 386.493 0.790 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000440993975 1195594863 /nfs/dbraw/zinc/59/48/63/1195594863.db2.gz RYYOHOFQZGIEMD-UHFFFAOYSA-N 0 3 375.517 0.914 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000520087326 1195595932 /nfs/dbraw/zinc/59/59/32/1195595932.db2.gz WMBLKPZYYSSWFJ-CYBMUJFWSA-N 0 3 382.486 0.524 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000441017071 1195597225 /nfs/dbraw/zinc/59/72/25/1195597225.db2.gz WVFMRUFAKRAHQD-UHFFFAOYSA-N 0 3 383.537 0.339 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccc(N2CCOCC2)c1 ZINC000664956539 1195600221 /nfs/dbraw/zinc/60/02/21/1195600221.db2.gz YFGVGTWRHLTULZ-UHFFFAOYSA-N 0 3 391.516 0.685 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[S@@](=O)C3)cc2)CC1 ZINC000441217361 1195610458 /nfs/dbraw/zinc/61/04/58/1195610458.db2.gz ICFJAKGXJUORHB-XGCWNURASA-N 0 3 392.525 0.400 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)CCNC(=O)c2[nH]nc3ccccc32)CC1 ZINC000112403760 1195613222 /nfs/dbraw/zinc/61/32/22/1195613222.db2.gz FIHQNFYYWQXVOX-HNNXBMFYSA-N 0 3 386.500 0.825 20 0 GCADHN NC(=O)c1ccc(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cn1 ZINC000441401251 1195631660 /nfs/dbraw/zinc/63/16/60/1195631660.db2.gz FRLWEVTUGBZOON-HXUWFJFHSA-N 0 3 383.452 0.617 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N(C)Cc2cnn(-c3ccccc3)c2)n1 ZINC000550341035 1195637991 /nfs/dbraw/zinc/63/79/91/1195637991.db2.gz NGPKTTBOUXQKHT-UHFFFAOYSA-N 0 3 382.472 0.762 20 0 GCADHN CSC1(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC[NH+](C)CC1 ZINC000894950796 1195638917 /nfs/dbraw/zinc/63/89/17/1195638917.db2.gz DFUUPGHZTMNKBL-CYBMUJFWSA-N 0 3 380.518 0.888 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)N(C)CCN2CCCC2)cc1F ZINC000550371967 1195646410 /nfs/dbraw/zinc/64/64/10/1195646410.db2.gz FMCLXOSUAFBVNK-UHFFFAOYSA-N 0 3 378.448 0.534 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21)N(C)C ZINC000550367680 1195646643 /nfs/dbraw/zinc/64/66/43/1195646643.db2.gz HQGMEFKEMVVSKU-RYQLBKOJSA-N 0 3 388.512 0.967 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000550373534 1195649579 /nfs/dbraw/zinc/64/95/79/1195649579.db2.gz XKJQGJUEQCXUHH-UHFFFAOYSA-N 0 3 398.529 0.127 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C2CCCC2)CC1)N1CCN(C)CC1 ZINC000550382020 1195649876 /nfs/dbraw/zinc/64/98/76/1195649876.db2.gz PQTWTUQIDJCBMS-LJQANCHMSA-N 0 3 393.576 0.461 20 0 GCADHN CN(C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000124039581 1195656277 /nfs/dbraw/zinc/65/62/77/1195656277.db2.gz WTRZUYKEMVTTHC-SFHVURJKSA-N 0 3 394.541 0.763 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCCN1CCN(C)CC1 ZINC000053028923 1195659244 /nfs/dbraw/zinc/65/92/44/1195659244.db2.gz BMFPLYVLXIMHPV-KRWDZBQOSA-N 0 3 388.578 0.725 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000328688053 1195660917 /nfs/dbraw/zinc/66/09/17/1195660917.db2.gz ZNLXLVAHIQIUAD-HNNXBMFYSA-N 0 3 375.473 0.566 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000328688053 1195660920 /nfs/dbraw/zinc/66/09/20/1195660920.db2.gz ZNLXLVAHIQIUAD-HNNXBMFYSA-N 0 3 375.473 0.566 20 0 GCADHN Cn1c2ccc(S(=O)(=O)N3CC[C@]4(C3)CCCN(C)C4)cc2n(C)c1=O ZINC000328869528 1195672672 /nfs/dbraw/zinc/67/26/72/1195672672.db2.gz XSIUQOMFWPGADH-GOSISDBHSA-N 0 3 378.498 0.983 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000520436033 1195675895 /nfs/dbraw/zinc/67/58/95/1195675895.db2.gz UFDKQIGQSDUIDW-ZWKOTPCHSA-N 0 3 380.533 0.594 20 0 GCADHN CCN1C[C@H](C)N(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000328938161 1195676490 /nfs/dbraw/zinc/67/64/90/1195676490.db2.gz DFLADWNIHAYGNP-SQNIBIBYSA-N 0 3 380.533 0.641 20 0 GCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCO[C@@H]3CCN(C)C[C@H]31)C2=O ZINC000328999909 1195685388 /nfs/dbraw/zinc/68/53/88/1195685388.db2.gz GPDFRJJMBCMRKR-GPINWOSQSA-N 0 3 378.473 0.623 20 0 GCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCO[C@H]3CCN(C)C[C@H]31)C2=O ZINC000328999907 1195685530 /nfs/dbraw/zinc/68/55/30/1195685530.db2.gz GPDFRJJMBCMRKR-CUYVQJCZSA-N 0 3 378.473 0.623 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000665009012 1195710952 /nfs/dbraw/zinc/71/09/52/1195710952.db2.gz YNAQEABYHJCMFP-QGZVFWFLSA-N 0 3 383.518 0.346 20 0 GCADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)NC(C)(C)CCN2CCN(C)CC2)C1 ZINC000331029722 1195715992 /nfs/dbraw/zinc/71/59/92/1195715992.db2.gz FAHZJZANZFCRLQ-MRXNPFEDSA-N 0 3 388.578 0.580 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCNS(=O)(=O)N(C)C ZINC000665016209 1195721843 /nfs/dbraw/zinc/72/18/43/1195721843.db2.gz WTGTUHXZPOOIME-UHFFFAOYSA-N 0 3 389.497 0.295 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccc(S(C)(=O)=O)c1 ZINC000665025464 1195732144 /nfs/dbraw/zinc/73/21/44/1195732144.db2.gz NQRAOTGHQASYPD-UHFFFAOYSA-N 0 3 384.502 0.252 20 0 GCADHN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729494723 1195737253 /nfs/dbraw/zinc/73/72/53/1195737253.db2.gz AQRYPNWFRLEAKR-GJZGRUSLSA-N 0 3 393.488 0.404 20 0 GCADHN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729494721 1195737426 /nfs/dbraw/zinc/73/74/26/1195737426.db2.gz AQRYPNWFRLEAKR-CABCVRRESA-N 0 3 393.488 0.404 20 0 GCADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000520459009 1195737709 /nfs/dbraw/zinc/73/77/09/1195737709.db2.gz LGYOXAQZBGQKMZ-AWEZNQCLSA-N 0 3 395.504 0.177 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000665036856 1195741960 /nfs/dbraw/zinc/74/19/60/1195741960.db2.gz TXWSJKBJVHTFAO-SJORKVTESA-N 0 3 377.489 0.963 20 0 GCADHN C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000983865359 1195746479 /nfs/dbraw/zinc/74/64/79/1195746479.db2.gz ZOKSDRXGWBJDIT-XYVMCAHJSA-N 0 3 391.516 0.805 20 0 GCADHN CC(=O)Nc1ccc(OC[C@H](O)CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1 ZINC000536360894 1195748389 /nfs/dbraw/zinc/74/83/89/1195748389.db2.gz JFVFHCOEALYOBO-OAHLLOKOSA-N 0 3 390.440 0.401 20 0 GCADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn2c1OCCC2)N(C)C ZINC001719866002 1195752111 /nfs/dbraw/zinc/75/21/11/1195752111.db2.gz BQTLMIVMGDEAMS-OEAJRASXSA-N 0 3 375.473 0.868 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC000189743441 1195752205 /nfs/dbraw/zinc/75/22/05/1195752205.db2.gz RDKJHEYLEPOHHD-LPHOPBHVSA-N 0 3 388.512 0.992 20 0 GCADHN CCC[C@H](C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1)N(C)C ZINC000132342857 1195764114 /nfs/dbraw/zinc/76/41/14/1195764114.db2.gz VMFMWLCZAATHBA-MRXNPFEDSA-N 0 3 382.530 0.974 20 0 GCADHN Cc1cccn2c(=O)c(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)cnc12 ZINC000180404440 1195767145 /nfs/dbraw/zinc/76/71/45/1195767145.db2.gz RHTMRUWGIZYMLH-MRXNPFEDSA-N 0 3 383.452 0.382 20 0 GCADHN O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000729502308 1195768416 /nfs/dbraw/zinc/76/84/16/1195768416.db2.gz SBCWVTZYVDCJQL-CVEARBPZSA-N 0 3 388.468 0.723 20 0 GCADHN O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000729502308 1195768418 /nfs/dbraw/zinc/76/84/18/1195768418.db2.gz SBCWVTZYVDCJQL-CVEARBPZSA-N 0 3 388.468 0.723 20 0 GCADHN O=C(CCCN1C(=O)CCC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000536433281 1195769075 /nfs/dbraw/zinc/76/90/75/1195769075.db2.gz YUWPJWRBPCLDFP-ZWKOTPCHSA-N 0 3 387.480 0.915 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)NCCOCCS(N)(=O)=O)CC1 ZINC000665101589 1195774870 /nfs/dbraw/zinc/77/48/70/1195774870.db2.gz PFBBZFMZUPYZTI-UHFFFAOYSA-N 0 3 398.529 0.517 20 0 GCADHN CN(C(=O)NCCOCCS(N)(=O)=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000665102210 1195776486 /nfs/dbraw/zinc/77/64/86/1195776486.db2.gz PJBGLTKMVFYTAT-QGZVFWFLSA-N 0 3 398.529 0.598 20 0 GCADHN O=C(Cc1cccc(F)c1)NCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729506094 1195776796 /nfs/dbraw/zinc/77/67/96/1195776796.db2.gz RTFPMZATAKLJBJ-IRXDYDNUSA-N 0 3 378.448 0.647 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)nn1 ZINC000441536615 1195778487 /nfs/dbraw/zinc/77/84/87/1195778487.db2.gz YALWLNFFPGFTJD-UHFFFAOYSA-N 0 3 386.456 0.869 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CC1 ZINC000181878788 1195780220 /nfs/dbraw/zinc/78/02/20/1195780220.db2.gz NWVLWMQCJCPXBE-AWEZNQCLSA-N 0 3 385.534 0.031 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCOCCS(N)(=O)=O)C1 ZINC000665107568 1195781197 /nfs/dbraw/zinc/78/11/97/1195781197.db2.gz OUOVBZDGULZHHC-INIZCTEOSA-N 0 3 398.529 0.455 20 0 GCADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000520582995 1195791712 /nfs/dbraw/zinc/79/17/12/1195791712.db2.gz GKJYPRWQLHAKLS-GOSISDBHSA-N 0 3 398.438 0.756 20 0 GCADHN CCCCOCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000520597606 1195795098 /nfs/dbraw/zinc/79/50/98/1195795098.db2.gz WIYNMJXYAUAEJK-UHFFFAOYSA-N 0 3 382.505 0.076 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000520621188 1195803798 /nfs/dbraw/zinc/80/37/98/1195803798.db2.gz XJXYLFHNFVYGAT-OLZOCXBDSA-N 0 3 392.422 0.504 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000520621189 1195804150 /nfs/dbraw/zinc/80/41/50/1195804150.db2.gz XJXYLFHNFVYGAT-QWHCGFSZSA-N 0 3 392.422 0.504 20 0 GCADHN Cc1ccsc1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000550425536 1195805404 /nfs/dbraw/zinc/80/54/04/1195805404.db2.gz VCUVYBJBQUVKNB-UHFFFAOYSA-N 0 3 378.498 0.439 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1nccc(C(F)(F)F)n1 ZINC000665139531 1195811049 /nfs/dbraw/zinc/81/10/49/1195811049.db2.gz MKYZHMIQPPLEIQ-UHFFFAOYSA-N 0 3 376.383 0.657 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000193570314 1195813978 /nfs/dbraw/zinc/81/39/78/1195813978.db2.gz JKPJKKLBLMFPQL-MSOLQXFVSA-N 0 3 379.549 0.914 20 0 GCADHN COCCOC1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CCOCC1 ZINC000895099738 1195817122 /nfs/dbraw/zinc/81/71/22/1195817122.db2.gz LQVKYXQWOBXBQM-IAGOWNOFSA-N 0 3 385.505 0.439 20 0 GCADHN CSc1ncc(Cl)c(C(=O)N2CC3(C2)COCC(=O)N3CCN(C)C)n1 ZINC001270890759 1195820269 /nfs/dbraw/zinc/82/02/69/1195820269.db2.gz NJUQBUPORYBXQQ-UHFFFAOYSA-N 0 3 399.904 0.467 20 0 GCADHN NC(=O)[C@@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1c1ccccc1 ZINC000665149429 1195821090 /nfs/dbraw/zinc/82/10/90/1195821090.db2.gz BSAGOXNAFONKMY-ZWKOTPCHSA-N 0 3 394.479 0.326 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000441720287 1195825425 /nfs/dbraw/zinc/82/54/25/1195825425.db2.gz ZKTQPSFHKLTQNA-YVORESIASA-N 0 3 394.541 0.752 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)NC)cc2)CC1 ZINC000441733010 1195828624 /nfs/dbraw/zinc/82/86/24/1195828624.db2.gz XCSKSIOBNMEFCH-HNNXBMFYSA-N 0 3 389.500 0.375 20 0 GCADHN CCc1nsc(N2CCN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)CC2)n1 ZINC000186109788 1195859191 /nfs/dbraw/zinc/85/91/91/1195859191.db2.gz ACYBABXWFGGQBZ-HNNXBMFYSA-N 0 3 395.577 0.958 20 0 GCADHN COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)c1 ZINC000429674737 1195859669 /nfs/dbraw/zinc/85/96/69/1195859669.db2.gz DXLCHOMWIIMGRI-QGZVFWFLSA-N 0 3 377.441 0.367 20 0 GCADHN COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[C@H]3CNCCO3)CC2)c1 ZINC000429674735 1195860047 /nfs/dbraw/zinc/86/00/47/1195860047.db2.gz DXLCHOMWIIMGRI-KRWDZBQOSA-N 0 3 377.441 0.367 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000427684372 1195865678 /nfs/dbraw/zinc/86/56/78/1195865678.db2.gz FKVVCQNDYNUWDC-OLZOCXBDSA-N 0 3 392.456 0.259 20 0 GCADHN CN1CCC(NC(=O)c2nnc3n2CCN(C(=O)c2cscn2)C3)CC1 ZINC001270920404 1195874634 /nfs/dbraw/zinc/87/46/34/1195874634.db2.gz UCELJKYKJGCBSA-UHFFFAOYSA-N 0 3 375.458 0.215 20 0 GCADHN Cc1cc(C(=O)NCCCCN2CCN(CCO)CC2)nc(C(F)(F)F)n1 ZINC000427778411 1195877561 /nfs/dbraw/zinc/87/75/61/1195877561.db2.gz MAQYPQHQTCLCCE-UHFFFAOYSA-N 0 3 389.422 0.924 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000508046630 1195893835 /nfs/dbraw/zinc/89/38/35/1195893835.db2.gz SRCKTFVGYQHNDQ-SFHVURJKSA-N 0 3 386.496 0.792 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000262150625 1195903607 /nfs/dbraw/zinc/90/36/07/1195903607.db2.gz PEJBNCKNKLYPDQ-DOMZBBRYSA-N 0 3 385.848 0.360 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000428110460 1195913381 /nfs/dbraw/zinc/91/33/81/1195913381.db2.gz GMCXJVPTNOGENL-XJKSGUPXSA-N 0 3 377.489 0.988 20 0 GCADHN Cc1nc(C)c(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)s1 ZINC000508352121 1195921812 /nfs/dbraw/zinc/92/18/12/1195921812.db2.gz ZJYPNFKQHWLYFY-AGUYFDCRSA-N 0 3 393.513 0.898 20 0 GCADHN C[C@@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCN(CCN2CCNC2=O)C1 ZINC001270975507 1195923849 /nfs/dbraw/zinc/92/38/49/1195923849.db2.gz ZBKWKIPLOIUMBX-LBAXQKCOSA-N 0 3 376.501 0.653 20 0 GCADHN COCCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000520840689 1195926862 /nfs/dbraw/zinc/92/68/62/1195926862.db2.gz SFXOVDPRFNYORV-UHFFFAOYSA-N 0 3 384.502 0.375 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000441999701 1195938195 /nfs/dbraw/zinc/93/81/95/1195938195.db2.gz HKODENYPMQWXJO-CVEARBPZSA-N 0 3 388.472 0.185 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000521070687 1195959545 /nfs/dbraw/zinc/95/95/45/1195959545.db2.gz BPXDBPVGZYUFDN-PXWWUCIGSA-N 0 3 399.278 0.941 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)CCNC(=O)c3ccc4ccccc4c3)CCN2C1=O ZINC000521069415 1195959726 /nfs/dbraw/zinc/95/97/26/1195959726.db2.gz IXVPJFXZGQLXGB-QZTJIDSGSA-N 0 3 380.448 0.730 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)CCNC(=O)c3ccc4ccccc4c3)CCN2C1=O ZINC000521069417 1195959788 /nfs/dbraw/zinc/95/97/88/1195959788.db2.gz IXVPJFXZGQLXGB-ZWKOTPCHSA-N 0 3 380.448 0.730 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000521070685 1195959885 /nfs/dbraw/zinc/95/98/85/1195959885.db2.gz BPXDBPVGZYUFDN-DRCTWCGVSA-N 0 3 399.278 0.941 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000521101855 1195962250 /nfs/dbraw/zinc/96/22/50/1195962250.db2.gz XDBXXFDPVXMSLY-IRXDYDNUSA-N 0 3 382.549 0.792 20 0 GCADHN CC(=O)N[C@H](CCC(N)=O)C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000521110582 1195963956 /nfs/dbraw/zinc/96/39/56/1195963956.db2.gz PCIWGZYXFITNIV-RTBURBONSA-N 0 3 388.512 0.956 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000442247012 1195965506 /nfs/dbraw/zinc/96/55/06/1195965506.db2.gz CLZCAQPEJWQUMZ-QGZVFWFLSA-N 0 3 386.456 0.867 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](O)C[C@H]3CO)c2)CC1 ZINC000442250764 1195965980 /nfs/dbraw/zinc/96/59/80/1195965980.db2.gz CLKOKLVHUKMQLW-ZWKOTPCHSA-N 0 3 390.484 0.110 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)[C@@H]3CCNC3=O)c2)CC1 ZINC000442258293 1195966694 /nfs/dbraw/zinc/96/66/94/1195966694.db2.gz OTENKERNQUDPRY-QGZVFWFLSA-N 0 3 387.484 0.502 20 0 GCADHN C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CCN1C ZINC000442292407 1195972856 /nfs/dbraw/zinc/97/28/56/1195972856.db2.gz MMLUEZKQAQKLCH-SJORKVTESA-N 0 3 387.528 0.924 20 0 GCADHN O=C(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1CCc2ccccc21 ZINC000521210391 1195977273 /nfs/dbraw/zinc/97/72/73/1195977273.db2.gz JPAZDQBCIXWECQ-UHFFFAOYSA-N 0 3 399.495 0.525 20 0 GCADHN COCCN1CCC(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000521250910 1195982540 /nfs/dbraw/zinc/98/25/40/1195982540.db2.gz UQCYHRHSYHYELT-UHFFFAOYSA-N 0 3 388.468 0.979 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Cc3ccc(OCc4ccccn4)cc3)CCN2C1=O ZINC000521371549 1195992103 /nfs/dbraw/zinc/99/21/03/1195992103.db2.gz GZXSDEFUUBADBA-PKOBYXMFSA-N 0 3 380.448 0.974 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000521379554 1195992807 /nfs/dbraw/zinc/99/28/07/1195992807.db2.gz DAWDBEPSNMQXPD-HOTGVXAUSA-N 0 3 387.550 0.525 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000521379556 1195992830 /nfs/dbraw/zinc/99/28/30/1195992830.db2.gz DAWDBEPSNMQXPD-JKSUJKDBSA-N 0 3 387.550 0.525 20 0 GCADHN O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001271048547 1195994482 /nfs/dbraw/zinc/99/44/82/1195994482.db2.gz ZSHWWEXCFWLBDF-URWOTSEESA-N 0 3 378.391 0.274 20 0 GCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000442721127 1196000647 /nfs/dbraw/zinc/00/06/47/1196000647.db2.gz MFSCQJJUIREFMZ-DYVFJYSZSA-N 0 3 397.497 0.664 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1=O ZINC000442762403 1196001244 /nfs/dbraw/zinc/00/12/44/1196001244.db2.gz DYHKFDSXIMLRKO-TZMCWYRMSA-N 0 3 382.461 0.095 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC[C@@H](O)Cn2cccn2)C1=O ZINC000442781664 1196003149 /nfs/dbraw/zinc/00/31/49/1196003149.db2.gz PRMSGXHEXNJBJL-BZUAXINKSA-N 0 3 380.489 0.801 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000442788646 1196003777 /nfs/dbraw/zinc/00/37/77/1196003777.db2.gz XBNHGPYMWMHYKT-BRWVUGGUSA-N 0 3 399.532 0.236 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC[C@H](O)CN2CCCC2=O)C1=O ZINC000442786464 1196004067 /nfs/dbraw/zinc/00/40/67/1196004067.db2.gz BOPJTTFKERRIAF-YQQAZPJKSA-N 0 3 397.516 0.527 20 0 GCADHN CCN1CCN(CCC(=O)N2CC[C@](C)(NCC(=O)OC(C)(C)C)C2)CC1 ZINC000442819282 1196006278 /nfs/dbraw/zinc/00/62/78/1196006278.db2.gz KDWHOPRQEFXZST-FQEVSTJZSA-N 0 3 382.549 0.936 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@](C)(NCC(=O)OC(C)(C)C)C2)CC1=O ZINC000442843604 1196006295 /nfs/dbraw/zinc/00/62/95/1196006295.db2.gz QHDFKUUECCCJQU-YWZLYKJASA-N 0 3 396.532 0.319 20 0 GCADHN CN(CCNC(=O)C(=O)NCCCCN1CCN(C)CC1)c1ccccc1 ZINC000521648861 1196009159 /nfs/dbraw/zinc/00/91/59/1196009159.db2.gz SCSBEKHHDWIWCS-UHFFFAOYSA-N 0 3 375.517 0.383 20 0 GCADHN COc1cccc(C[C@@H](O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000442966706 1196014216 /nfs/dbraw/zinc/01/42/16/1196014216.db2.gz MZIBYKLQIWWLNK-GOSISDBHSA-N 0 3 375.469 0.365 20 0 GCADHN COC(=O)c1ccccc1CS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000443084584 1196018560 /nfs/dbraw/zinc/01/85/60/1196018560.db2.gz IECVQBAEOUEECV-CQSZACIVSA-N 0 3 397.497 0.480 20 0 GCADHN CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000443110103 1196019731 /nfs/dbraw/zinc/01/97/31/1196019731.db2.gz MMRYWPXJVSDBLM-UHFFFAOYSA-N 0 3 375.473 0.726 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CC1(C)C ZINC000443112940 1196020512 /nfs/dbraw/zinc/02/05/12/1196020512.db2.gz HKIJQGUCTFKLGS-UHFFFAOYSA-N 0 3 390.410 0.526 20 0 GCADHN CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000443118813 1196021004 /nfs/dbraw/zinc/02/10/04/1196021004.db2.gz XEKGARHIDIXSDT-UHFFFAOYSA-N 0 3 393.463 0.865 20 0 GCADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443123454 1196021166 /nfs/dbraw/zinc/02/11/66/1196021166.db2.gz LDQRCXYZIPGBRI-UHFFFAOYSA-N 0 3 390.484 0.862 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cccnc2OCC(F)F)CC1(C)C ZINC000443122892 1196021631 /nfs/dbraw/zinc/02/16/31/1196021631.db2.gz IHSUETPSWYOQME-UHFFFAOYSA-N 0 3 399.442 0.806 20 0 GCADHN CCN(Cc1ccccc1)S(=O)(=O)NCCCCN1CCN(CCO)CC1 ZINC000443268812 1196033156 /nfs/dbraw/zinc/03/31/56/1196033156.db2.gz GRRQHIXVIOKYSY-UHFFFAOYSA-N 0 3 398.573 0.733 20 0 GCADHN Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000443288679 1196034359 /nfs/dbraw/zinc/03/43/59/1196034359.db2.gz XVMQAWHLHUJOOM-OAHLLOKOSA-N 0 3 389.456 0.252 20 0 GCADHN N[C@H]1C[C@@H]2CN(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)CCN2C1=O ZINC000522014455 1196035874 /nfs/dbraw/zinc/03/58/74/1196035874.db2.gz NCUPBKYXWLKTID-SJORKVTESA-N 0 3 391.903 0.232 20 0 GCADHN O=C(CN1CCCC1)N1CCN([C@@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000059501155 1196037900 /nfs/dbraw/zinc/03/79/00/1196037900.db2.gz JMVUOLKWMBDEAI-LJQANCHMSA-N 0 3 398.507 0.597 20 0 GCADHN Cc1c(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cnn1-c1ccccn1 ZINC000443307861 1196037948 /nfs/dbraw/zinc/03/79/48/1196037948.db2.gz ZAXPESDEZZMQOV-INIZCTEOSA-N 0 3 393.513 0.947 20 0 GCADHN Cc1c(S(=O)(=O)NCC2CCN(CCO)CC2)cnn1-c1ccccn1 ZINC000443315809 1196038656 /nfs/dbraw/zinc/03/86/56/1196038656.db2.gz NXZVCTLNUPYAER-UHFFFAOYSA-N 0 3 379.486 0.558 20 0 GCADHN C[C@@H]1CN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@H](C(N)=O)O1 ZINC000624357646 1196039748 /nfs/dbraw/zinc/03/97/48/1196039748.db2.gz ZWRYSCRTCKRWGG-RHSMWYFYSA-N 0 3 375.473 0.578 20 0 GCADHN COC(=O)C(C)(C)c1csc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)n1 ZINC000550470217 1196047728 /nfs/dbraw/zinc/04/77/28/1196047728.db2.gz GKSKVDJBMPVTFE-LLVKDONJSA-N 0 3 382.486 0.990 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000550469657 1196049047 /nfs/dbraw/zinc/04/90/47/1196049047.db2.gz PRAIAQDBDSLUHE-AWEZNQCLSA-N 0 3 376.505 0.857 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CCN1CCn1cncn1 ZINC001087624355 1196053651 /nfs/dbraw/zinc/05/36/51/1196053651.db2.gz YMHODTYNIHJDEH-DGAVXFQQSA-N 0 3 391.394 0.594 20 0 GCADHN CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)C ZINC000937550437 1196055021 /nfs/dbraw/zinc/05/50/21/1196055021.db2.gz FIEKYWDMVJCEII-UXJCHEOYSA-N 0 3 379.501 0.436 20 0 GCADHN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)COC3CNC3)CC2)cc1 ZINC000429676614 1196060213 /nfs/dbraw/zinc/06/02/13/1196060213.db2.gz KPMIKUFIEMAPAB-UHFFFAOYSA-N 0 3 381.498 0.631 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N3CC[C@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000443489871 1196060816 /nfs/dbraw/zinc/06/08/16/1196060816.db2.gz MUYOHTULUVQUCF-KRWDZBQOSA-N 0 3 395.529 0.006 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000522227880 1196063642 /nfs/dbraw/zinc/06/36/42/1196063642.db2.gz NSKQGAZSUITHNF-CYBMUJFWSA-N 0 3 399.513 0.977 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000522290082 1196073041 /nfs/dbraw/zinc/07/30/41/1196073041.db2.gz JMCIEHSTHNBZQU-OAHLLOKOSA-N 0 3 396.513 0.647 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCCCc2cn[nH]c2C)CC1 ZINC000522310530 1196075830 /nfs/dbraw/zinc/07/58/30/1196075830.db2.gz YZKYCSIYJKHHMO-INIZCTEOSA-N 0 3 394.520 0.519 20 0 GCADHN COC(=O)c1ccc(OC)c(S(=O)(=O)NCC2(N(C)C)CCOCC2)c1 ZINC000474113127 1196080893 /nfs/dbraw/zinc/08/08/93/1196080893.db2.gz MYSNCBFLIKYSNU-UHFFFAOYSA-N 0 3 386.470 0.871 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN(C)S(=O)(=O)c2cccnc2)C[C@@H](C)O1 ZINC000443676586 1196088533 /nfs/dbraw/zinc/08/85/33/1196088533.db2.gz UVPHGKXYMUTDHR-HZPDHXFCSA-N 0 3 398.529 0.708 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2CCC(OC)CC2)cn1 ZINC000474153873 1196091407 /nfs/dbraw/zinc/09/14/07/1196091407.db2.gz MISMXEXXAUQQPY-UHFFFAOYSA-N 0 3 384.502 0.609 20 0 GCADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000113880946 1196093358 /nfs/dbraw/zinc/09/33/58/1196093358.db2.gz UGNYFLNBOGMPLP-HNNXBMFYSA-N 0 3 389.500 0.990 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1=O ZINC000114178469 1196096072 /nfs/dbraw/zinc/09/60/72/1196096072.db2.gz XWHLOTYVSRZGAE-HNNXBMFYSA-N 0 3 378.448 0.011 20 0 GCADHN CC[C@@H](O)[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000114460202 1196099872 /nfs/dbraw/zinc/09/98/72/1196099872.db2.gz ILXCKTNWYWKPIO-DLBZAZTESA-N 0 3 382.549 0.671 20 0 GCADHN CCOC(=O)c1nn(C)cc1CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000895550407 1196101747 /nfs/dbraw/zinc/10/17/47/1196101747.db2.gz IHXWTCWIRPWSDE-UHFFFAOYSA-N 0 3 377.489 0.903 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@]2(CCOC2)O1 ZINC000474297176 1196107246 /nfs/dbraw/zinc/10/72/46/1196107246.db2.gz LALKOXKYMNPBKZ-MDZRGWNJSA-N 0 3 382.505 0.519 20 0 GCADHN CCn1cc(CN(CCO)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000474297390 1196107412 /nfs/dbraw/zinc/10/74/12/1196107412.db2.gz MPYKKQFKSRQKAO-QGZVFWFLSA-N 0 3 394.520 0.350 20 0 GCADHN CN1CCC[C@H]1c1cc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)[nH]n1 ZINC000895731190 1196110385 /nfs/dbraw/zinc/11/03/85/1196110385.db2.gz GDJGEBGFAWCHHF-SFHVURJKSA-N 0 3 388.516 0.803 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)NC2CCN(CCOC)CC2)C1 ZINC000522434085 1196111464 /nfs/dbraw/zinc/11/14/64/1196111464.db2.gz SNYHJWGVFSXZAA-HOTGVXAUSA-N 0 3 384.521 0.670 20 0 GCADHN CC[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@]2(CCOC2)O1 ZINC000474383655 1196113385 /nfs/dbraw/zinc/11/33/85/1196113385.db2.gz KSVMJABNETXNNE-ICSRJNTNSA-N 0 3 398.548 0.356 20 0 GCADHN O=C(NCCN1C[C@H]2CCCCN2C1=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000895860658 1196114289 /nfs/dbraw/zinc/11/42/89/1196114289.db2.gz BHQMSWYKJFORFE-ZACQAIPSSA-N 0 3 379.505 0.517 20 0 GCADHN CCS(=O)(=O)c1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000665423205 1196114394 /nfs/dbraw/zinc/11/43/94/1196114394.db2.gz KMNFMMYDDWHXRI-UHFFFAOYSA-N 0 3 384.502 0.964 20 0 GCADHN Cn1cc([C@]2(CNC(=O)NC3CCN([C@@H]4CCOC4)CC3)CCCO2)cn1 ZINC000895850914 1196115121 /nfs/dbraw/zinc/11/51/21/1196115121.db2.gz LUMOYRASCFJRID-IEBWSBKVSA-N 0 3 377.489 0.978 20 0 GCADHN CCn1cc(CN(CCO)C(=O)NC[C@H](C)CN2CCN(CC)CC2)cn1 ZINC000474447059 1196118495 /nfs/dbraw/zinc/11/84/95/1196118495.db2.gz CFBOPPVTDKVVNF-KRWDZBQOSA-N 0 3 380.537 0.681 20 0 GCADHN CN(OCC(F)(F)F)C(=O)CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000895930955 1196118878 /nfs/dbraw/zinc/11/88/78/1196118878.db2.gz RQXDGWJBUKKWSJ-NEPJUHHUSA-N 0 3 382.383 0.179 20 0 GCADHN Cn1ccn2c(CCNC3CN(C(=O)OCc4ccccc4)C3)nnc2c1=O ZINC000896047643 1196123617 /nfs/dbraw/zinc/12/36/17/1196123617.db2.gz MAGBWYGRWSCVAW-UHFFFAOYSA-N 0 3 382.424 0.581 20 0 GCADHN O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000896158201 1196129248 /nfs/dbraw/zinc/12/92/48/1196129248.db2.gz VIJZFVCZSQWZRS-IRXDYDNUSA-N 0 3 395.500 0.454 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)CC1 ZINC000896163396 1196130095 /nfs/dbraw/zinc/13/00/95/1196130095.db2.gz MGWLDOJSDHTDER-QGZVFWFLSA-N 0 3 376.505 0.803 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)CC1 ZINC000896162119 1196130698 /nfs/dbraw/zinc/13/06/98/1196130698.db2.gz AQHNXWFONWWXFN-SJORKVTESA-N 0 3 397.516 0.700 20 0 GCADHN COc1ncc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1C(N)=O ZINC000474632965 1196133504 /nfs/dbraw/zinc/13/35/04/1196133504.db2.gz XKTJAJNSZSRFIV-CQSZACIVSA-N 0 3 392.460 0.253 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000474794525 1196150355 /nfs/dbraw/zinc/15/03/55/1196150355.db2.gz DYOBVISDDIBOIR-MRXNPFEDSA-N 0 3 390.532 0.698 20 0 GCADHN C[C@@H](C(=O)N(C)CC(=O)NC(C)(C)CCN1CCN(C)CC1)n1cccn1 ZINC000474812134 1196151133 /nfs/dbraw/zinc/15/11/33/1196151133.db2.gz BMQZABAZAKVZQY-INIZCTEOSA-N 0 3 378.521 0.435 20 0 GCADHN COc1cc2c(cc1OC)CN(CC(=O)N1CCO[C@@H]3CCN(C)C[C@H]31)CC2 ZINC000329027720 1196156950 /nfs/dbraw/zinc/15/69/50/1196156950.db2.gz OPICNMABKOYYLW-QZTJIDSGSA-N 0 3 389.496 0.993 20 0 GCADHN CO[C@H]1C[C@@H](CN(C)CC(=O)N2CCC(C(=O)N3CCCC3)CC2)N(C)C1 ZINC000329021077 1196157090 /nfs/dbraw/zinc/15/70/90/1196157090.db2.gz MAMAIKLGSRCALO-ROUUACIJSA-N 0 3 380.533 0.498 20 0 GCADHN CC(=O)N1CCC[C@](O)(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000329142726 1196167859 /nfs/dbraw/zinc/16/78/59/1196167859.db2.gz VEJMDASIWAAMPH-GQIGUUNPSA-N 0 3 381.517 0.708 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC2(S(C)(=O)=O)CCC2)CC1 ZINC000474851661 1196174675 /nfs/dbraw/zinc/17/46/75/1196174675.db2.gz HLDQXDMLYKSPSG-UHFFFAOYSA-N 0 3 388.534 0.149 20 0 GCADHN O=S1(=O)C[C@@H](NC2CCN(c3ccccc3)CC2)[C@H](N2CCOCC2)C1 ZINC000329225517 1196177733 /nfs/dbraw/zinc/17/77/33/1196177733.db2.gz GJEOSCHUYBQUNV-RTBURBONSA-N 0 3 379.526 0.743 20 0 GCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000896600734 1196179471 /nfs/dbraw/zinc/17/94/71/1196179471.db2.gz XVDXOTXMESFWRS-NEPJUHHUSA-N 0 3 389.378 0.889 20 0 GCADHN C[C@@H]1[C@H](NC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CCN1C ZINC000896618409 1196184295 /nfs/dbraw/zinc/18/42/95/1196184295.db2.gz PSPQQSNBGIPBCC-VNHYZAJKSA-N 0 3 395.504 0.598 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CCCCCC1 ZINC000329384702 1196191391 /nfs/dbraw/zinc/19/13/91/1196191391.db2.gz PNAMENSROHPMGY-SJORKVTESA-N 0 3 387.546 0.904 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 ZINC000329409525 1196193505 /nfs/dbraw/zinc/19/35/05/1196193505.db2.gz AFHHGHVIJXGPGF-KRWDZBQOSA-N 0 3 395.525 0.523 20 0 GCADHN O=C(Cn1ccccc1=O)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001141907133 1196198520 /nfs/dbraw/zinc/19/85/20/1196198520.db2.gz YBSJXIWCSOLVHS-UHFFFAOYSA-N 0 3 379.424 0.562 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CO1 ZINC000896709319 1196199802 /nfs/dbraw/zinc/19/98/02/1196199802.db2.gz BOLREQCEHYUQHQ-ILXRZTDVSA-N 0 3 384.477 0.778 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CO1 ZINC000896710977 1196200785 /nfs/dbraw/zinc/20/07/85/1196200785.db2.gz BOLREQCEHYUQHQ-RRFJBIMHSA-N 0 3 384.477 0.778 20 0 GCADHN Cn1cc([C@@]2(CNC(=O)NC[C@H]3CCN3C3CCOCC3)CCCO2)cn1 ZINC000896749295 1196203260 /nfs/dbraw/zinc/20/32/60/1196203260.db2.gz POBDZIDHUOATQA-MJGOQNOKSA-N 0 3 377.489 0.978 20 0 GCADHN Cn1cc([C@]2(CNC(=O)NC[C@@H]3CCN3C3CCOCC3)CCCO2)cn1 ZINC000896749297 1196203300 /nfs/dbraw/zinc/20/33/00/1196203300.db2.gz POBDZIDHUOATQA-PKOBYXMFSA-N 0 3 377.489 0.978 20 0 GCADHN COCCN(CCN(C)C)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000520584036 1196205072 /nfs/dbraw/zinc/20/50/72/1196205072.db2.gz RZQSFEDVUOKURH-UHFFFAOYSA-N 0 3 392.500 0.879 20 0 GCADHN Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H]1CCCCO1 ZINC000329581607 1196206988 /nfs/dbraw/zinc/20/69/88/1196206988.db2.gz AFTJCBHXSIMJJO-SJORKVTESA-N 0 3 376.505 0.898 20 0 GCADHN O=C([C@@H](C1CC1)N1CCCC1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329603142 1196209234 /nfs/dbraw/zinc/20/92/34/1196209234.db2.gz YJGOIRKGLFWRLV-IAGOWNOFSA-N 0 3 385.530 0.514 20 0 GCADHN CC[C@@H]1CCCN1C(=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(CC)CC)C2 ZINC001719897230 1196214078 /nfs/dbraw/zinc/21/40/78/1196214078.db2.gz CDRYHKIONMDXSP-VQHPVUNQSA-N 0 3 378.517 0.977 20 0 GCADHN Cc1nnsc1CN1CC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012230 1196217373 /nfs/dbraw/zinc/21/73/73/1196217373.db2.gz ZQRMWRUOMILQDG-DMRZNYOFSA-N 0 3 379.530 0.846 20 0 GCADHN CN(C)CCN1CC[C@]2(CCN(C(=O)CNC(=O)c3cccs3)C2)C1=O ZINC001271177396 1196224145 /nfs/dbraw/zinc/22/41/45/1196224145.db2.gz NQGIPCKWOPPUSO-GOSISDBHSA-N 0 3 378.498 0.491 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000443904097 1196224705 /nfs/dbraw/zinc/22/47/05/1196224705.db2.gz VAUVULFJPLKRIB-UHFFFAOYSA-N 0 3 380.493 0.793 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000329743386 1196229338 /nfs/dbraw/zinc/22/93/38/1196229338.db2.gz PZIUMDISVUBXPR-UHFFFAOYSA-N 0 3 394.541 0.693 20 0 GCADHN C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)n1nnnc1C(C)(C)C ZINC000329852132 1196234649 /nfs/dbraw/zinc/23/46/49/1196234649.db2.gz RGVRSEWCOACMKX-KBPBESRZSA-N 0 3 377.493 0.297 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000329917661 1196238924 /nfs/dbraw/zinc/23/89/24/1196238924.db2.gz ZJXFFDROUQKYNK-CVEARBPZSA-N 0 3 387.546 0.760 20 0 GCADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000329917663 1196239023 /nfs/dbraw/zinc/23/90/23/1196239023.db2.gz ZJXFFDROUQKYNK-HZPDHXFCSA-N 0 3 387.546 0.760 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CCO1 ZINC000330112770 1196253403 /nfs/dbraw/zinc/25/34/03/1196253403.db2.gz RULVZFUXEDTFCT-RYRKJORJSA-N 0 3 391.516 0.897 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CCO1 ZINC000330112771 1196253577 /nfs/dbraw/zinc/25/35/77/1196253577.db2.gz RULVZFUXEDTFCT-SOLBZPMBSA-N 0 3 391.516 0.897 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000330140073 1196255865 /nfs/dbraw/zinc/25/58/65/1196255865.db2.gz WRNIYAPVJFZTSW-CABCVRRESA-N 0 3 396.557 0.699 20 0 GCADHN CO[C@H](C)c1noc(CCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000330156764 1196256834 /nfs/dbraw/zinc/25/68/34/1196256834.db2.gz PAJLCNPDGTYVRW-ZIAGYGMSSA-N 0 3 379.461 0.475 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@H]1N1CCCC1 ZINC000330179918 1196258357 /nfs/dbraw/zinc/25/83/57/1196258357.db2.gz MWKUGSXNAXVISX-ZIAGYGMSSA-N 0 3 389.481 0.686 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2ccc(C(=O)NC3CCCC3)nn2)CC1 ZINC000330283266 1196263077 /nfs/dbraw/zinc/26/30/77/1196263077.db2.gz BFRZJYLPHMAODT-UHFFFAOYSA-N 0 3 386.500 0.893 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000280893036 1196265853 /nfs/dbraw/zinc/26/58/53/1196265853.db2.gz MKEQHUUPDBTXOM-OXJNMPFZSA-N 0 3 378.517 0.298 20 0 GCADHN CCN1CCN(CCCNC(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000281086915 1196276538 /nfs/dbraw/zinc/27/65/38/1196276538.db2.gz GMTCMEZUJOWSSS-RMKNXTFCSA-N 0 3 380.514 0.491 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)OCC(=O)N2 ZINC000281378886 1196290966 /nfs/dbraw/zinc/29/09/66/1196290966.db2.gz GMOYKLAULSHHLT-AAEUAGOBSA-N 0 3 383.470 0.987 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000487454665 1196291939 /nfs/dbraw/zinc/29/19/39/1196291939.db2.gz WTWJBTGYPGNHNW-BFYDXBDKSA-N 0 3 379.505 0.397 20 0 GCADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281516750 1196301078 /nfs/dbraw/zinc/30/10/78/1196301078.db2.gz VGXLAWKQBUDLCD-FQKPHLNHSA-N 0 3 392.500 0.499 20 0 GCADHN C[C@H](CNC(=O)/C=C/c1ccc(S(N)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000281520917 1196301414 /nfs/dbraw/zinc/30/14/14/1196301414.db2.gz JCELSPMCXAGWDK-SBJJXXPASA-N 0 3 380.514 0.347 20 0 GCADHN CCN(C(=O)[C@H](C)NC[C@@H]1CCCN1c1cccnn1)[C@H]1CCS(=O)(=O)C1 ZINC000522691003 1196303131 /nfs/dbraw/zinc/30/31/31/1196303131.db2.gz FZIZFZPHYIWJAX-JYJNAYRXSA-N 0 3 395.529 0.459 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC000984990206 1196305688 /nfs/dbraw/zinc/30/56/88/1196305688.db2.gz YIXWQCHZHAKPHA-VSZNYVQBSA-N 0 3 386.496 0.979 20 0 GCADHN CC1CCN(CC(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CC1 ZINC000475052354 1196306827 /nfs/dbraw/zinc/30/68/27/1196306827.db2.gz QQVYRWHOJSWARI-UHFFFAOYSA-N 0 3 394.560 0.795 20 0 GCADHN CCc1ccc([C@H](CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)N(C)C)cc1 ZINC000665536372 1196307343 /nfs/dbraw/zinc/30/73/43/1196307343.db2.gz PGVBRAJJUSAYQI-IRXDYDNUSA-N 0 3 382.530 0.883 20 0 GCADHN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000281609548 1196315062 /nfs/dbraw/zinc/31/50/62/1196315062.db2.gz CBRQYASUKPTCSV-BBRMVZONSA-N 0 3 376.457 0.609 20 0 GCADHN CCS(=O)(=O)NCc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281646921 1196317894 /nfs/dbraw/zinc/31/78/94/1196317894.db2.gz BCJFMNNUZVXATG-UHFFFAOYSA-N 0 3 396.557 0.882 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000281672252 1196318964 /nfs/dbraw/zinc/31/89/64/1196318964.db2.gz UAWZYVLICLLWMP-DYVFJYSZSA-N 0 3 381.498 0.512 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CN1C1CC1 ZINC000281702198 1196324034 /nfs/dbraw/zinc/32/40/34/1196324034.db2.gz WAWJILOBCBBSTK-ZFWWWQNUSA-N 0 3 381.498 0.654 20 0 GCADHN CN(CC(=O)NCCN1CCN(C)C(C)(C)C1)S(=O)(=O)c1ccccc1 ZINC000281839121 1196339585 /nfs/dbraw/zinc/33/95/85/1196339585.db2.gz STUXKROOVUBPDH-UHFFFAOYSA-N 0 3 382.530 0.449 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1(C)C ZINC000281855037 1196341850 /nfs/dbraw/zinc/34/18/50/1196341850.db2.gz GJHYHRNEGXJWAZ-UHFFFAOYSA-N 0 3 385.472 0.348 20 0 GCADHN CN(C)CCn1nccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000909558609 1196345017 /nfs/dbraw/zinc/34/50/17/1196345017.db2.gz HNSZJXVQMCRABN-AWEZNQCLSA-N 0 3 381.477 0.810 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)CN1CCN(C)CC1 ZINC000522828913 1196348924 /nfs/dbraw/zinc/34/89/24/1196348924.db2.gz CBEYNGBAYJJMCY-INIZCTEOSA-N 0 3 399.499 0.265 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)C1(C)C ZINC000444136655 1196350045 /nfs/dbraw/zinc/35/00/45/1196350045.db2.gz CJQNWDQOKBZNRH-BEFAXECRSA-N 0 3 379.457 0.708 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000281947912 1196352621 /nfs/dbraw/zinc/35/26/21/1196352621.db2.gz AIHJZXOGIGYPOR-CABCVRRESA-N 0 3 393.513 0.672 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1(C)C ZINC000444170409 1196355444 /nfs/dbraw/zinc/35/54/44/1196355444.db2.gz UGIBKWSKXGRBCW-JXFKEZNVSA-N 0 3 380.533 0.579 20 0 GCADHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)CCN2C(=O)CCC2=O)C1 ZINC000522872539 1196358316 /nfs/dbraw/zinc/35/83/16/1196358316.db2.gz KSLRXKPPEIWPTI-OAHLLOKOSA-N 0 3 386.452 0.862 20 0 GCADHN Cc1nc(CCN2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)cs1 ZINC001088104306 1196359357 /nfs/dbraw/zinc/35/93/57/1196359357.db2.gz CIBNTPVUYKYIPZ-YQFWSFKMSA-N 0 3 392.525 0.807 20 0 GCADHN Cc1ncc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)s1 ZINC001088104638 1196359897 /nfs/dbraw/zinc/35/98/97/1196359897.db2.gz SAHQDDQFMVDOPH-BFJAYTPKSA-N 0 3 378.498 0.765 20 0 GCADHN Cc1csc(=O)n1CCN1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1 ZINC001088108951 1196363347 /nfs/dbraw/zinc/36/33/47/1196363347.db2.gz CCUXHZHALCWUNE-BARDWOONSA-N 0 3 378.498 0.120 20 0 GCADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000444250885 1196368772 /nfs/dbraw/zinc/36/87/72/1196368772.db2.gz SSLZWUJGXMJOFZ-UHFFFAOYSA-N 0 3 378.454 0.473 20 0 GCADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@@H]2CCN(CCOC)C2)cn1 ZINC000487465685 1196371844 /nfs/dbraw/zinc/37/18/44/1196371844.db2.gz CHLLNHKREALZGZ-INMHGKMJSA-N 0 3 378.477 0.243 20 0 GCADHN C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCCN1C ZINC000444306621 1196372268 /nfs/dbraw/zinc/37/22/68/1196372268.db2.gz WZSBNDUWXBURGQ-WNOSKKOXSA-N 0 3 399.488 0.549 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCCN1C ZINC000444306619 1196372279 /nfs/dbraw/zinc/37/22/79/1196372279.db2.gz WZSBNDUWXBURGQ-IRWJRLHMSA-N 0 3 399.488 0.549 20 0 GCADHN C[C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NC(=O)c1ccccc1 ZINC000103123150 1196373334 /nfs/dbraw/zinc/37/33/34/1196373334.db2.gz ZKDYDFXUZYTRBA-KRWDZBQOSA-N 0 3 386.496 0.962 20 0 GCADHN O=C(CNC(=O)c1ccc(F)cc1F)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103204396 1196374009 /nfs/dbraw/zinc/37/40/09/1196374009.db2.gz CXZLGBGLVWESIQ-UHFFFAOYSA-N 0 3 394.422 0.461 20 0 GCADHN O=C(CN1CCN(C(=O)CN2CCCC2)CC1)NCCc1c(F)cccc1F ZINC000103150493 1196374043 /nfs/dbraw/zinc/37/40/43/1196374043.db2.gz YROKNBDXXSRNTC-UHFFFAOYSA-N 0 3 394.466 0.864 20 0 GCADHN C[C@H]1CCCC[C@H]1OCCNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150489 1196374133 /nfs/dbraw/zinc/37/41/33/1196374133.db2.gz GLHMYHUXINDPDK-RBUKOAKNSA-N 0 3 394.560 0.938 20 0 GCADHN COCc1ccccc1CNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150449 1196374284 /nfs/dbraw/zinc/37/42/84/1196374284.db2.gz HUSUHEGMSSMONR-UHFFFAOYSA-N 0 3 388.512 0.689 20 0 GCADHN CN(CCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)CC(F)(F)F ZINC000103307070 1196375488 /nfs/dbraw/zinc/37/54/88/1196375488.db2.gz YHNHYERSJUZLMR-UHFFFAOYSA-N 0 3 393.454 0.820 20 0 GCADHN CCN(CC)CC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000103500501 1196377202 /nfs/dbraw/zinc/37/72/02/1196377202.db2.gz AORQHIJBGBGBDH-KRWDZBQOSA-N 0 3 390.459 0.944 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC(=O)N2Cc3ccccc3C2)CC1 ZINC000475078583 1196377829 /nfs/dbraw/zinc/37/78/29/1196377829.db2.gz MCWMGBMLMUHZSJ-SFHVURJKSA-N 0 3 399.495 0.477 20 0 GCADHN COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000543906372 1196381732 /nfs/dbraw/zinc/38/17/32/1196381732.db2.gz HZXQYGUXYJYUBW-OAHLLOKOSA-N 0 3 388.461 0.983 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cnn(CC(F)F)c2)CC1 ZINC000475161203 1196385605 /nfs/dbraw/zinc/38/56/05/1196385605.db2.gz HMFMIIULPSNNPY-ZDUSSCGKSA-N 0 3 386.447 0.477 20 0 GCADHN CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475157905 1196385671 /nfs/dbraw/zinc/38/56/71/1196385671.db2.gz SHUDCCKAXBHACG-IRXDYDNUSA-N 0 3 382.530 0.419 20 0 GCADHN CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475157907 1196385767 /nfs/dbraw/zinc/38/57/67/1196385767.db2.gz SHUDCCKAXBHACG-SJORKVTESA-N 0 3 382.530 0.419 20 0 GCADHN NS(=O)(=O)C[C@H]1CCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000897052114 1196386531 /nfs/dbraw/zinc/38/65/31/1196386531.db2.gz IGOFUIMBMFXCLL-KRWDZBQOSA-N 0 3 383.514 0.508 20 0 GCADHN CN1CCN(c2ncc(CN3CC4(CCOCC4)CC[C@@H]3CO)cn2)CC1 ZINC000897175712 1196402262 /nfs/dbraw/zinc/40/22/62/1196402262.db2.gz HSHAXRZDLUDZBA-GOSISDBHSA-N 0 3 375.517 0.982 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC(=O)NC1)C2 ZINC001719901868 1196407825 /nfs/dbraw/zinc/40/78/25/1196407825.db2.gz LGUMFJATJNYEGT-JJXSEGSLSA-N 0 3 378.517 0.881 20 0 GCADHN C[S@](=O)c1cccc(NC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000609845538 1196418072 /nfs/dbraw/zinc/41/80/72/1196418072.db2.gz XCZGHZLFIYMDFR-SANMLTNESA-N 0 3 382.530 0.936 20 0 GCADHN CN1CCN(CCNC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)CC1(C)C ZINC000282001740 1196418227 /nfs/dbraw/zinc/41/82/27/1196418227.db2.gz QKNQCYLIYZQABD-HNNXBMFYSA-N 0 3 380.514 0.840 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NCCCN3CCOCC3)cc2)CC1 ZINC000192921446 1196418902 /nfs/dbraw/zinc/41/89/02/1196418902.db2.gz HHTSADLTRDEJLL-UHFFFAOYSA-N 0 3 389.544 0.956 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)c3cc4n[nH]cc4s3)C2)OCC1=O ZINC001271518489 1196426358 /nfs/dbraw/zinc/42/63/58/1196426358.db2.gz GCQNDUSENWPNBT-QGZVFWFLSA-N 0 3 377.470 0.630 20 0 GCADHN CN1CCN(S(=O)(=O)c2ccc(N3CC[C@H](N4CC=CC4)C3)nc2)CC1 ZINC000301472948 1196428341 /nfs/dbraw/zinc/42/83/41/1196428341.db2.gz USLNYBUXAACXOL-INIZCTEOSA-N 0 3 377.514 0.468 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](O)C1CCOCC1 ZINC000523045492 1196434178 /nfs/dbraw/zinc/43/41/78/1196434178.db2.gz OWMBJHXJSFQSRQ-MRXNPFEDSA-N 0 3 379.457 0.599 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCC2CCN(CC(F)(F)F)CC2)CC1=O ZINC000444408717 1196457132 /nfs/dbraw/zinc/45/71/32/1196457132.db2.gz HWTIBRGQZFAWID-CQSZACIVSA-N 0 3 378.439 0.787 20 0 GCADHN NS(=O)(=O)N1CCC(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000025015140 1196465617 /nfs/dbraw/zinc/46/56/17/1196465617.db2.gz AQFHMTCRKUIFGP-UHFFFAOYSA-N 0 3 380.514 0.467 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccccc1OCCC(N)=O ZINC000665788190 1196466730 /nfs/dbraw/zinc/46/67/30/1196466730.db2.gz AFAZLAUXXHTQNX-UHFFFAOYSA-N 0 3 379.461 0.425 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cccnc1N1CCOCC1 ZINC000665836086 1196478039 /nfs/dbraw/zinc/47/80/39/1196478039.db2.gz KFSPKIFYQXLFFB-UHFFFAOYSA-N 0 3 378.477 0.402 20 0 GCADHN CC(C)CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C1CCN(C)CC1 ZINC000114143178 1196495488 /nfs/dbraw/zinc/49/54/88/1196495488.db2.gz BBODMZYXMWDSRL-UHFFFAOYSA-N 0 3 387.484 0.825 20 0 GCADHN CN(CC(=O)N1CCOCC1)C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000985544138 1196495930 /nfs/dbraw/zinc/49/59/30/1196495930.db2.gz ZAARGVWUMUMELV-VDZJLULYSA-N 0 3 379.501 0.583 20 0 GCADHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000444675057 1196514256 /nfs/dbraw/zinc/51/42/56/1196514256.db2.gz QOJWVFBGAOHIOD-DOTOQJQBSA-N 0 3 390.484 0.641 20 0 GCADHN CCO[C@@H]1C[C@](CO)(NCC(=O)N2CCN(C(=O)c3ccco3)CC2)C1(C)C ZINC000444803108 1196521805 /nfs/dbraw/zinc/52/18/05/1196521805.db2.gz NHIKXFCVTSVWCP-OXQOHEQNSA-N 0 3 393.484 0.720 20 0 GCADHN CCO[C@H]1C[C@@](CO)(NCC(=O)N2CCN(C(=O)c3ccco3)CC2)C1(C)C ZINC000444803105 1196521977 /nfs/dbraw/zinc/52/19/77/1196521977.db2.gz NHIKXFCVTSVWCP-JXFKEZNVSA-N 0 3 393.484 0.720 20 0 GCADHN CN(C(=O)NCCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CCN(C2CC2)C1 ZINC000523435850 1196525040 /nfs/dbraw/zinc/52/50/40/1196525040.db2.gz SFPMAHHURPBHGY-SFHVURJKSA-N 0 3 377.533 0.809 20 0 GCADHN CN(C(=O)NCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000523435849 1196525097 /nfs/dbraw/zinc/52/50/97/1196525097.db2.gz SFPMAHHURPBHGY-GOSISDBHSA-N 0 3 377.533 0.809 20 0 GCADHN CS(=O)(=O)c1cccc(OCCN2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000523442584 1196525600 /nfs/dbraw/zinc/52/56/00/1196525600.db2.gz FHGFUXIGDYDIQJ-UHFFFAOYSA-N 0 3 395.525 0.709 20 0 GCADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000897331876 1196527473 /nfs/dbraw/zinc/52/74/73/1196527473.db2.gz VDSQNQLFRUDLHQ-UHFFFAOYSA-N 0 3 390.459 0.774 20 0 GCADHN CC1(C)CCCN(CCNC(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000444894849 1196530983 /nfs/dbraw/zinc/53/09/83/1196530983.db2.gz JHPOOYYLWUDQEE-UHFFFAOYSA-N 0 3 378.521 1.459 20 0 GCADHN CC(=O)N1CCN(Cc2ccccc2NC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000444949002 1196532649 /nfs/dbraw/zinc/53/26/49/1196532649.db2.gz IZXOWHRIXOSPGO-HXUWFJFHSA-N 0 3 389.500 0.539 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 ZINC000444949571 1196532987 /nfs/dbraw/zinc/53/29/87/1196532987.db2.gz GVLOZKDWOQQUOM-UHFFFAOYSA-N 0 3 391.516 0.786 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H](CO)Cc1ccco1 ZINC000523627748 1196538035 /nfs/dbraw/zinc/53/80/35/1196538035.db2.gz KIIRYGCZRFRENE-WBVHZDCISA-N 0 3 380.489 0.673 20 0 GCADHN CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NCCN(C)C3CC3)c2)CC1 ZINC000445102050 1196547620 /nfs/dbraw/zinc/54/76/20/1196547620.db2.gz MVTYYUKQKSQXGI-UHFFFAOYSA-N 0 3 387.484 0.504 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000523748809 1196558299 /nfs/dbraw/zinc/55/82/99/1196558299.db2.gz HRWQXFRCLCZZEZ-UHFFFAOYSA-N 0 3 396.488 0.583 20 0 GCADHN CCC(=O)N1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523916142 1196566564 /nfs/dbraw/zinc/56/65/64/1196566564.db2.gz RIYRFCCBGOMHRA-MRXNPFEDSA-N 0 3 381.521 0.583 20 0 GCADHN COCCOC[C@H](O)CN1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 ZINC000639806362 1196570378 /nfs/dbraw/zinc/57/03/78/1196570378.db2.gz ZGFKUXQMAJGIJP-MRXNPFEDSA-N 0 3 381.473 0.651 20 0 GCADHN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000524031578 1196573283 /nfs/dbraw/zinc/57/32/83/1196573283.db2.gz HWYPVPSOZQPLMH-CYBMUJFWSA-N 0 3 375.473 0.032 20 0 GCADHN COCCOc1cccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000524031979 1196573353 /nfs/dbraw/zinc/57/33/53/1196573353.db2.gz YJHXWWQSPOGZDY-INIZCTEOSA-N 0 3 392.500 0.650 20 0 GCADHN COCCOc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000524031980 1196573469 /nfs/dbraw/zinc/57/34/69/1196573469.db2.gz YJHXWWQSPOGZDY-MRXNPFEDSA-N 0 3 392.500 0.650 20 0 GCADHN Cn1cnc(CCNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000445720077 1196588009 /nfs/dbraw/zinc/58/80/09/1196588009.db2.gz BBZJMMPEUWJHPJ-UHFFFAOYSA-N 0 3 385.516 0.865 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000524410237 1196592876 /nfs/dbraw/zinc/59/28/76/1196592876.db2.gz WVOHQMFAYNLZFX-OAHLLOKOSA-N 0 3 391.497 0.738 20 0 GCADHN COc1cc(CNC(=O)NCCCCN2CCN(CCO)CC2)ccc1O ZINC000524422119 1196594293 /nfs/dbraw/zinc/59/42/93/1196594293.db2.gz APWWPNMQXVKBBE-UHFFFAOYSA-N 0 3 380.489 0.590 20 0 GCADHN COCC(C)(C)NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000524436279 1196595076 /nfs/dbraw/zinc/59/50/76/1196595076.db2.gz LUVOKYVJRFEUQE-UHFFFAOYSA-N 0 3 387.477 0.673 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC000445916514 1196599101 /nfs/dbraw/zinc/59/91/01/1196599101.db2.gz XCFIBKACABWGLD-UHFFFAOYSA-N 0 3 398.529 0.863 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000445923669 1196599765 /nfs/dbraw/zinc/59/97/65/1196599765.db2.gz COWRJRTXVNKMFA-UHFFFAOYSA-N 0 3 375.473 0.347 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1)Cc1ccccc1 ZINC000897344300 1196600840 /nfs/dbraw/zinc/60/08/40/1196600840.db2.gz NFXHJEZIZNQMCR-QZTJIDSGSA-N 0 3 386.496 0.403 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1 ZINC000524588033 1196606965 /nfs/dbraw/zinc/60/69/65/1196606965.db2.gz CUVDIGXRVWBZLJ-BEFAXECRSA-N 0 3 389.456 0.261 20 0 GCADHN CCCN1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN(C)C(C)C)C3)CC1=O ZINC001719903694 1196609824 /nfs/dbraw/zinc/60/98/24/1196609824.db2.gz DLOWZTIIBSNYSW-HZMVEIRTSA-N 0 3 378.517 0.833 20 0 GCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H](C)N1CCCC1)CC2 ZINC000524751340 1196620059 /nfs/dbraw/zinc/62/00/59/1196620059.db2.gz HJQJBIZTLSMMDC-ZDUSSCGKSA-N 0 3 394.497 0.084 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c(Cl)c1 ZINC000524803894 1196627796 /nfs/dbraw/zinc/62/77/96/1196627796.db2.gz KFUZXSRALXZZQM-UHFFFAOYSA-N 0 3 395.891 0.991 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000446256340 1196629163 /nfs/dbraw/zinc/62/91/63/1196629163.db2.gz APHHGLGMUKIIOU-ZSZQSSIHSA-N 0 3 391.472 0.213 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446273777 1196630007 /nfs/dbraw/zinc/63/00/07/1196630007.db2.gz CLKNCGDPEVWYNK-XAUMDUMWSA-N 0 3 380.533 0.626 20 0 GCADHN CCN(C1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1)S(C)(=O)=O ZINC000446316575 1196633352 /nfs/dbraw/zinc/63/33/52/1196633352.db2.gz WRKUQFMHEJKKTC-HDMKZQKVSA-N 0 3 387.546 0.791 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000446360285 1196636685 /nfs/dbraw/zinc/63/66/85/1196636685.db2.gz QRCQYSLPKMDBJA-FVJLSDCUSA-N 0 3 392.544 0.579 20 0 GCADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446361922 1196637342 /nfs/dbraw/zinc/63/73/42/1196637342.db2.gz DIJAHUQZTHUMCG-MXTNKPTQSA-N 0 3 392.544 0.674 20 0 GCADHN CCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000524942260 1196640670 /nfs/dbraw/zinc/64/06/70/1196640670.db2.gz RBALPVZEUNYXTQ-UHFFFAOYSA-N 0 3 395.485 0.443 20 0 GCADHN C[C@@H](CN1CCOCC1)NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000524990835 1196643125 /nfs/dbraw/zinc/64/31/25/1196643125.db2.gz CPCIAKHKEIRXDX-PXNSSMCTSA-N 0 3 376.501 0.643 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cn(C)nc2C(F)(F)F)CC1 ZINC000446466482 1196643278 /nfs/dbraw/zinc/64/32/78/1196643278.db2.gz LFKHVNMBEFVBQB-NSHDSACASA-N 0 3 390.410 0.520 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1c[nH]nc1-c1nccs1)CN1CCN(C)CC1 ZINC000446541854 1196649495 /nfs/dbraw/zinc/64/94/95/1196649495.db2.gz UMPZKLCSWYPFBY-LBPRGKRZSA-N 0 3 391.501 0.471 20 0 GCADHN COc1cccc(C)c1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000446542088 1196649605 /nfs/dbraw/zinc/64/96/05/1196649605.db2.gz UWGPUKODPLCMRC-UHFFFAOYSA-N 0 3 388.468 0.709 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)nc(C)n3C)CC1 ZINC000525268425 1196662501 /nfs/dbraw/zinc/66/25/01/1196662501.db2.gz NPTFGUHZQHSILJ-CQSZACIVSA-N 0 3 386.500 0.962 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000525279225 1196662865 /nfs/dbraw/zinc/66/28/65/1196662865.db2.gz OKALWJAPUGOELX-UHFFFAOYSA-N 0 3 376.457 0.619 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CCSC1 ZINC000446740667 1196663196 /nfs/dbraw/zinc/66/31/96/1196663196.db2.gz GLYDJWOKLMBYGT-GUYCJALGSA-N 0 3 381.502 0.412 20 0 GCADHN Cn1c2c(ccn2CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000525288051 1196664191 /nfs/dbraw/zinc/66/41/91/1196664191.db2.gz QHKIIDFUNLAGTE-INIZCTEOSA-N 0 3 395.463 0.429 20 0 GCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000525313438 1196668046 /nfs/dbraw/zinc/66/80/46/1196668046.db2.gz UOIYHFUFAGUWTA-KDOFPFPSSA-N 0 3 397.479 0.889 20 0 GCADHN CN(C)[C@@H](CNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)Cc1ccccc1 ZINC000487524712 1196668082 /nfs/dbraw/zinc/66/80/82/1196668082.db2.gz YIUSCGFZQFDCNR-DLBZAZTESA-N 0 3 382.530 0.835 20 0 GCADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000525313439 1196668351 /nfs/dbraw/zinc/66/83/51/1196668351.db2.gz UOIYHFUFAGUWTA-KSSFIOAISA-N 0 3 397.479 0.889 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)C[C@H](C)O ZINC000525426697 1196680358 /nfs/dbraw/zinc/68/03/58/1196680358.db2.gz ZFMKFBITTWHVLN-OLZOCXBDSA-N 0 3 392.456 0.618 20 0 GCADHN COCCN1CC[C@@H](NC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)C1 ZINC000525506347 1196686240 /nfs/dbraw/zinc/68/62/40/1196686240.db2.gz SWBXTAYRHLTYNS-CQSZACIVSA-N 0 3 375.429 0.927 20 0 GCADHN CCN1CCN(CCC(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CC1 ZINC000446982951 1196686314 /nfs/dbraw/zinc/68/63/14/1196686314.db2.gz KWJDSGODHVSZDO-UHFFFAOYSA-N 0 3 386.504 0.825 20 0 GCADHN COC(=O)[C@](C)(CN[C@@H](C)C(=O)N1CCN(C(C)=O)CC1)c1ccc(F)cc1 ZINC000447025327 1196688764 /nfs/dbraw/zinc/68/87/64/1196688764.db2.gz CATMNRPOUUJVKZ-VBKZILBWSA-N 0 3 393.459 0.925 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cccnc1-n1cncn1 ZINC000447030515 1196689117 /nfs/dbraw/zinc/68/91/17/1196689117.db2.gz VEEZQBWFMSSAEM-UHFFFAOYSA-N 0 3 383.412 0.784 20 0 GCADHN COCCOc1ccc(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)cn1 ZINC000525808574 1196711560 /nfs/dbraw/zinc/71/15/60/1196711560.db2.gz HOXDGKBGUKJGGD-MRXNPFEDSA-N 0 3 379.505 0.790 20 0 GCADHN CC[C@H]1CN(Cc2nnnn2CCOCC(F)(F)F)CCN1C[C@H](C)O ZINC000447341076 1196712284 /nfs/dbraw/zinc/71/22/84/1196712284.db2.gz CXZZZABOOMTATB-STQMWFEESA-N 0 3 380.415 0.529 20 0 GCADHN COCC[C@]1(NCC(=O)NCC(=O)Nc2cc(C)ccc2OC)CCOC1 ZINC000447404974 1196717571 /nfs/dbraw/zinc/71/75/71/1196717571.db2.gz VQXSCHWHOQRKPE-IBGZPJMESA-N 0 3 379.457 0.844 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCN1CCCC(C)(C)C1 ZINC000447422723 1196719273 /nfs/dbraw/zinc/71/92/73/1196719273.db2.gz MWUDKQSHLIDZDZ-UHFFFAOYSA-N 0 3 379.461 0.774 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000525885188 1196721153 /nfs/dbraw/zinc/72/11/53/1196721153.db2.gz WPOSKPBFQNEZTQ-GDBMZVCRSA-N 0 3 388.468 0.965 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)n(C(C)(C)C)n1 ZINC000525896475 1196724431 /nfs/dbraw/zinc/72/44/31/1196724431.db2.gz SPPMHKKGYWDODM-UHFFFAOYSA-N 0 3 378.521 0.981 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)CC1=O ZINC000526034419 1196733234 /nfs/dbraw/zinc/73/32/34/1196733234.db2.gz LGMKTWDUBZBYHD-LLVKDONJSA-N 0 3 391.403 0.231 20 0 GCADHN COc1cnccc1N1CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 ZINC000526036547 1196733438 /nfs/dbraw/zinc/73/34/38/1196733438.db2.gz KHGBPHBSZMLENB-CQSZACIVSA-N 0 3 379.482 0.954 20 0 GCADHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000429721687 1196736381 /nfs/dbraw/zinc/73/63/81/1196736381.db2.gz RSVOQWPUOISRRU-QPSCCSFWSA-N 0 3 388.534 0.841 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000526704203 1196747161 /nfs/dbraw/zinc/74/71/61/1196747161.db2.gz UGASVRPOVIAFFQ-UHFFFAOYSA-N 0 3 387.440 0.230 20 0 GCADHN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN[C@H](CO)[C@H]3CCCO3)CC2)C1 ZINC000447905982 1196756252 /nfs/dbraw/zinc/75/62/52/1196756252.db2.gz NRPBPBLUMDXWPT-KBAYOESNSA-N 0 3 381.517 0.613 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)CN[C@@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447908094 1196756275 /nfs/dbraw/zinc/75/62/75/1196756275.db2.gz UEZFDQXTXXPRJM-VQTJNVASSA-N 0 3 391.512 0.859 20 0 GCADHN O=C(CN[C@H](CO)[C@@H]1CCCO1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000447917821 1196757860 /nfs/dbraw/zinc/75/78/60/1196757860.db2.gz RRTMCUUAFYUFBJ-MSOLQXFVSA-N 0 3 375.469 0.993 20 0 GCADHN C[C@H](N[C@@H](CO)[C@H]1CCCO1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000447900879 1196759518 /nfs/dbraw/zinc/75/95/18/1196759518.db2.gz FHCRRHDTJFJIEG-FFZOFVMBSA-N 0 3 391.512 0.653 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN[C@@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447901463 1196759850 /nfs/dbraw/zinc/75/98/50/1196759850.db2.gz BYFLXJKEYXJRHM-OALUTQOASA-N 0 3 377.485 0.469 20 0 GCADHN COc1cc(CN[C@@H](CO)[C@@H]2CCCO2)ccc1OCC(=O)N1CCOCC1 ZINC000447972248 1196762552 /nfs/dbraw/zinc/76/25/52/1196762552.db2.gz PNMIFNBWIPAFBR-IRXDYDNUSA-N 0 3 394.468 0.562 20 0 GCADHN COc1cc(CN[C@@H](CO)[C@H]2CCCO2)ccc1OCC(=O)N1CCOCC1 ZINC000447972246 1196762659 /nfs/dbraw/zinc/76/26/59/1196762659.db2.gz PNMIFNBWIPAFBR-DLBZAZTESA-N 0 3 394.468 0.562 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000527214426 1196773031 /nfs/dbraw/zinc/77/30/31/1196773031.db2.gz YAIDKLJETXDTIV-GFCCVEGCSA-N 0 3 383.470 0.341 20 0 GCADHN CCN1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000527224297 1196773397 /nfs/dbraw/zinc/77/33/97/1196773397.db2.gz BEFUSKRCKIIWPH-DLBZAZTESA-N 0 3 377.537 0.681 20 0 GCADHN CCOC(=O)C1CCN(S(=O)(=O)NC[C@H](C)N2CCN(CC)CC2)CC1 ZINC000527385967 1196783243 /nfs/dbraw/zinc/78/32/43/1196783243.db2.gz XFZARRLJKDDOCM-HNNXBMFYSA-N 0 3 390.550 0.122 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000527438972 1196786918 /nfs/dbraw/zinc/78/69/18/1196786918.db2.gz WSFYAVQPIRAKQS-UHFFFAOYSA-N 0 3 387.440 0.576 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC(=O)N(C4CC4)C3)c2)CC1 ZINC000448436558 1196802239 /nfs/dbraw/zinc/80/22/39/1196802239.db2.gz VUZCJLBDEGTVHY-UHFFFAOYSA-N 0 3 399.495 0.946 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)CCN([C@@H]2CC(=O)N(CCOCCO)C2=O)C1 ZINC000448556337 1196815461 /nfs/dbraw/zinc/81/54/61/1196815461.db2.gz OQJYQHWQAVTPQQ-IEBWSBKVSA-N 0 3 389.496 0.577 20 0 GCADHN CN(CCN1CCN(C(=O)C(=O)N2CCCOCC2)CC1)Cc1ccccc1 ZINC000460019156 1196818679 /nfs/dbraw/zinc/81/86/79/1196818679.db2.gz XURPDPZSNJMBTK-UHFFFAOYSA-N 0 3 388.512 0.512 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)Cc3cncc(Cl)n3)C[C@@]2(F)C1=O ZINC001271979555 1196843495 /nfs/dbraw/zinc/84/34/95/1196843495.db2.gz IQPJIHGMMHUFNX-HZPDHXFCSA-N 0 3 387.818 0.335 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(Cn2ccnn2)cc1 ZINC000528354203 1196852675 /nfs/dbraw/zinc/85/26/75/1196852675.db2.gz KKUWNRIZIYGOIF-GOSISDBHSA-N 0 3 384.484 0.999 20 0 GCADHN Cn1c(CNC2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2ccccc21 ZINC000118453743 1196856992 /nfs/dbraw/zinc/85/69/92/1196856992.db2.gz JVLLZBMNRDMYTN-UHFFFAOYSA-N 0 3 393.513 0.704 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1 ZINC000624895147 1196858523 /nfs/dbraw/zinc/85/85/23/1196858523.db2.gz VZRYFASCTMSGJD-IJEWVQPXSA-N 0 3 378.477 0.639 20 0 GCADHN C[C@]1(CO)CN(C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C[C@@]1(C)CO ZINC000528750855 1196886873 /nfs/dbraw/zinc/88/68/73/1196886873.db2.gz HLZKDRCGLRGPTJ-RYGJVYDSSA-N 0 3 378.469 0.624 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000528848462 1196891083 /nfs/dbraw/zinc/89/10/83/1196891083.db2.gz ZGFIVKHFHWAVTM-HNNXBMFYSA-N 0 3 386.452 0.420 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1)OCC(=O)N2 ZINC000282025098 1196896144 /nfs/dbraw/zinc/89/61/44/1196896144.db2.gz QVENJHKHRMCARW-LBPRGKRZSA-N 0 3 383.470 0.988 20 0 GCADHN COc1cc(CN2CC[C@@H](NC(=O)NC[C@@H]3COCCN3)C2)cc(OC)c1 ZINC000529318636 1196914438 /nfs/dbraw/zinc/91/44/38/1196914438.db2.gz XQTDIGSLQJPIND-HZPDHXFCSA-N 0 3 378.473 0.566 20 0 GCADHN O=C(N[C@H](CO)CN1CCCCC1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529349263 1196916771 /nfs/dbraw/zinc/91/67/71/1196916771.db2.gz OWBUKTUSHMFKTH-SFHVURJKSA-N 0 3 375.469 0.736 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCc3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000529352217 1196917393 /nfs/dbraw/zinc/91/73/93/1196917393.db2.gz VYTUBGORIISHGG-RYUDHWBXSA-N 0 3 382.367 0.504 20 0 GCADHN COCCn1cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)ccc1=O ZINC000149000160 1196921171 /nfs/dbraw/zinc/92/11/71/1196921171.db2.gz WTXOYIPWBMOJQS-HUUCEWRRSA-N 0 3 378.473 0.670 20 0 GCADHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000120756888 1196924512 /nfs/dbraw/zinc/92/45/12/1196924512.db2.gz IAOVLYUGWFMNPH-CABCVRRESA-N 0 3 389.504 0.623 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000120889318 1196925853 /nfs/dbraw/zinc/92/58/53/1196925853.db2.gz SYGGJFZJMZEEQA-WMLDXEAASA-N 0 3 376.501 0.718 20 0 GCADHN Cn1c(=O)c2cc(C(=O)NC[C@@H]3CCN3C3CCCCC3)cnc2n(C)c1=O ZINC000529719335 1196931096 /nfs/dbraw/zinc/93/10/96/1196931096.db2.gz MAPFYIDPODQUNH-HNNXBMFYSA-N 0 3 385.468 0.769 20 0 GCADHN O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000529725710 1196934776 /nfs/dbraw/zinc/93/47/76/1196934776.db2.gz NVNZRCPLFROUEI-KRWDZBQOSA-N 0 3 392.525 0.930 20 0 GCADHN CN(Cc1ccc(F)c(CN(C)[C@@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000450706876 1196949204 /nfs/dbraw/zinc/94/92/04/1196949204.db2.gz GSBMGGNHCOPOPG-WOJBJXKFSA-N 0 3 382.476 0.992 20 0 GCADHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000530027207 1196957902 /nfs/dbraw/zinc/95/79/02/1196957902.db2.gz OQOAXLMJZGRDQD-OAHLLOKOSA-N 0 3 396.513 0.782 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000450866232 1196958163 /nfs/dbraw/zinc/95/81/63/1196958163.db2.gz WPWUCVLWWONWQP-UONOGXRCSA-N 0 3 399.499 0.140 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2c(F)cccc2-n2cccn2)n1 ZINC000450891749 1196959192 /nfs/dbraw/zinc/95/91/92/1196959192.db2.gz LDNAREFDHYWUIV-UHFFFAOYSA-N 0 3 386.435 0.299 20 0 GCADHN CC1(N2CCOCC2)CCN(CN2C[C@@](CO)(c3ccccn3)CC2=O)CC1 ZINC000530102900 1196961978 /nfs/dbraw/zinc/96/19/78/1196961978.db2.gz CQZLFPVNQSWSLO-NRFANRHFSA-N 0 3 388.512 0.688 20 0 GCADHN O[C@H](CN1CC[C@@H](Oc2cccnc2N2CCCC2)C1)CN1CCOCC1 ZINC000451014154 1196965870 /nfs/dbraw/zinc/96/58/70/1196965870.db2.gz CAJWCCMMSUACNQ-ZWKOTPCHSA-N 0 3 376.501 0.828 20 0 GCADHN CCOC(=O)[C@](C)(O)CN1CC(C)(C)N(C[C@@](C)(O)C(=O)OCC)C[C@H]1C ZINC000451078149 1196968476 /nfs/dbraw/zinc/96/84/76/1196968476.db2.gz DIFGATBJZAAREA-NIKGAXFTSA-N 0 3 388.505 0.399 20 0 GCADHN NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000760139060 1196970098 /nfs/dbraw/zinc/97/00/98/1196970098.db2.gz OCFJUNNNSBGIQY-DOTOQJQBSA-N 0 3 388.468 0.900 20 0 GCADHN CCOC(=O)[C@@H]1CN(C[C@H](O)COc2ccc3c(c2)OCO3)CC12COC2 ZINC000451138872 1196972994 /nfs/dbraw/zinc/97/29/94/1196972994.db2.gz RBUXHSLCMDVJNW-ZFWWWQNUSA-N 0 3 379.409 0.667 20 0 GCADHN CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451277856 1196984804 /nfs/dbraw/zinc/98/48/04/1196984804.db2.gz NBYSBNFIKWPAHS-CALCHBBNSA-N 0 3 382.530 0.565 20 0 GCADHN COC[C@]1(C(=O)OC)CCN(CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000451332495 1196989075 /nfs/dbraw/zinc/98/90/75/1196989075.db2.gz HLSISVULSCKANP-SFHVURJKSA-N 0 3 384.498 0.960 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CC[C@@](COC)(C(=O)OC)C2)C1 ZINC000451336969 1196989229 /nfs/dbraw/zinc/98/92/29/1196989229.db2.gz QETATHHBDVIOOU-QMTMVMCOSA-N 0 3 384.473 0.688 20 0 GCADHN COC[C@]1(C(=O)OC)CCN([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000451332817 1196989247 /nfs/dbraw/zinc/98/92/47/1196989247.db2.gz IRDQTXFONJERFB-JXFKEZNVSA-N 0 3 390.484 0.630 20 0 GCADHN CCO[C@@H]1C[C@@H](NCC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C12CCC2 ZINC000451477566 1196994053 /nfs/dbraw/zinc/99/40/53/1196994053.db2.gz XIOLDDBBJZEHOM-BZUAXINKSA-N 0 3 388.530 0.586 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000530567204 1196996841 /nfs/dbraw/zinc/99/68/41/1196996841.db2.gz HLSLKDJKCZOCAP-CQSZACIVSA-N 0 3 376.457 0.598 20 0 GCADHN CC(=O)[C@@H](NC(=O)CN1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1)C(C)C ZINC000451533845 1196997536 /nfs/dbraw/zinc/99/75/36/1196997536.db2.gz WYJBATJFOLLKPW-CTNGQTDRSA-N 0 3 394.560 0.982 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000530640648 1197003114 /nfs/dbraw/zinc/00/31/14/1197003114.db2.gz MXMXZMHXSJOJEE-JLTOFOAXSA-N 0 3 387.484 0.497 20 0 GCADHN C[C@@H]1CN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C[C@H](C)N1CCO ZINC000451652038 1197004406 /nfs/dbraw/zinc/00/44/06/1197004406.db2.gz IXDZKWAZYIJTNO-UXLLHSPISA-N 0 3 376.457 0.251 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C[C@H](C)N1CCO ZINC000451652036 1197004604 /nfs/dbraw/zinc/00/46/04/1197004604.db2.gz IXDZKWAZYIJTNO-HLLBOEOZSA-N 0 3 376.457 0.251 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)S(C)(=O)=O ZINC000451695015 1197008947 /nfs/dbraw/zinc/00/89/47/1197008947.db2.gz MIUBQJXSUJSWFM-BRWVUGGUSA-N 0 3 389.562 0.646 20 0 GCADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CCO1 ZINC000530737012 1197014029 /nfs/dbraw/zinc/01/40/29/1197014029.db2.gz ZXLUQOSEMZVTJF-CQSZACIVSA-N 0 3 393.440 0.486 20 0 GCADHN CN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H](CO)CC(C)(C)C ZINC000451783625 1197015564 /nfs/dbraw/zinc/01/55/64/1197015564.db2.gz SENICKSNKUZCKB-MRXNPFEDSA-N 0 3 384.565 0.774 20 0 GCADHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000451795340 1197017007 /nfs/dbraw/zinc/01/70/07/1197017007.db2.gz ZBAOQFUEYMOAHO-KGLIPLIRSA-N 0 3 383.470 0.902 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000530806696 1197017660 /nfs/dbraw/zinc/01/76/60/1197017660.db2.gz GTUWRBMUKWKULV-AWEZNQCLSA-N 0 3 394.497 0.623 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)N1CCCC1 ZINC000530845337 1197020673 /nfs/dbraw/zinc/02/06/73/1197020673.db2.gz HOXGDIUKGONXJX-ZDUSSCGKSA-N 0 3 387.440 0.277 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)ccc1C ZINC000530842671 1197022559 /nfs/dbraw/zinc/02/25/59/1197022559.db2.gz ZEYRLLRODOJQBH-UHFFFAOYSA-N 0 3 390.484 0.864 20 0 GCADHN Cn1cc(C[C@@H]2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cn1 ZINC000530866464 1197023494 /nfs/dbraw/zinc/02/34/94/1197023494.db2.gz FDFULOGMFCMIGG-INIZCTEOSA-N 0 3 385.468 0.862 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)ccc1-n1cnnn1 ZINC000530900855 1197025013 /nfs/dbraw/zinc/02/50/13/1197025013.db2.gz HWAOSPAXWJFYGP-KRWDZBQOSA-N 0 3 389.485 0.463 20 0 GCADHN CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000530901719 1197025566 /nfs/dbraw/zinc/02/55/66/1197025566.db2.gz RNGQQWVRZQDKKJ-GOSISDBHSA-N 0 3 378.498 0.928 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cc1 ZINC000530920157 1197026784 /nfs/dbraw/zinc/02/67/84/1197026784.db2.gz QQYZMOFMCSLVEM-ZDUSSCGKSA-N 0 3 382.486 0.987 20 0 GCADHN C[C@H](CNC(=O)N[C@H]1CCN(c2ncccc2F)C1)CN1CCN(C)CC1 ZINC000122491660 1197037988 /nfs/dbraw/zinc/03/79/88/1197037988.db2.gz HQAZMLVCCBNIIH-CVEARBPZSA-N 0 3 378.496 0.982 20 0 GCADHN CCN1CCN(CCC(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375411634 1197039222 /nfs/dbraw/zinc/03/92/22/1197039222.db2.gz FWHDWIAXAWOPMG-LJQANCHMSA-N 0 3 378.521 0.697 20 0 GCADHN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NCCN3CC[C@@H](C)C3)cc21 ZINC000531044717 1197042122 /nfs/dbraw/zinc/04/21/22/1197042122.db2.gz NOWUZGQTBSGJEM-CQSZACIVSA-N 0 3 385.468 0.784 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CCN2CCN(CC)CC2)C1 ZINC000531056315 1197043779 /nfs/dbraw/zinc/04/37/79/1197043779.db2.gz YCJQPJUECHMNDE-QGZVFWFLSA-N 0 3 396.532 0.274 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@@H](O)CN1CCN(C2CCOCC2)CC1 ZINC000531103912 1197045499 /nfs/dbraw/zinc/04/54/99/1197045499.db2.gz ASMWTVGPVFBZMS-SFHVURJKSA-N 0 3 388.468 0.661 20 0 GCADHN CN(C)C(=O)Cn1cnc(NC(=O)NCCCN2CCc3ccccc3C2)n1 ZINC000531109134 1197046171 /nfs/dbraw/zinc/04/61/71/1197046171.db2.gz QDADHTBHLVMKHQ-UHFFFAOYSA-N 0 3 385.472 0.936 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000531160240 1197049805 /nfs/dbraw/zinc/04/98/05/1197049805.db2.gz LBZOPJMYSXUJFR-ZDUSSCGKSA-N 0 3 382.486 0.845 20 0 GCADHN COC(CNC(=O)[C@@H]1CCN1C(C)(C)C)CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897366039 1197050027 /nfs/dbraw/zinc/05/00/27/1197050027.db2.gz HVRHYCLDEPSTDC-HOTGVXAUSA-N 0 3 382.549 0.979 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000531167329 1197050198 /nfs/dbraw/zinc/05/01/98/1197050198.db2.gz NVVSVKKGUZLOKQ-ZDUSSCGKSA-N 0 3 383.470 0.389 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2F)CC1 ZINC000531159651 1197051109 /nfs/dbraw/zinc/05/11/09/1197051109.db2.gz BDTCUQJJJMDJKO-ZDUSSCGKSA-N 0 3 394.447 0.693 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000452344639 1197052782 /nfs/dbraw/zinc/05/27/82/1197052782.db2.gz CZBQPMDMCKZFNY-MRXNPFEDSA-N 0 3 399.513 0.188 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000452348965 1197053271 /nfs/dbraw/zinc/05/32/71/1197053271.db2.gz LXVMTLSRSQBLKW-QGZVFWFLSA-N 0 3 395.525 0.952 20 0 GCADHN Cc1oc(C(=O)NC[C@@H]2CCCN2CCCO)cc1S(=O)(=O)N1CCCC1 ZINC000452355784 1197054042 /nfs/dbraw/zinc/05/40/42/1197054042.db2.gz YTSVBTLZQCJYGE-HNNXBMFYSA-N 0 3 399.513 0.949 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)[C@H]1c1ccccc1 ZINC000452383164 1197055169 /nfs/dbraw/zinc/05/51/69/1197055169.db2.gz OKXCYGSQHFEVGE-SXLOBPIMSA-N 0 3 389.496 0.938 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000452384848 1197055358 /nfs/dbraw/zinc/05/53/58/1197055358.db2.gz SBSXCAWGIQUKLE-KURKYZTESA-N 0 3 379.501 0.391 20 0 GCADHN O=C(N[C@H]1CCCN(CCCO)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000452378007 1197058054 /nfs/dbraw/zinc/05/80/54/1197058054.db2.gz UEAWJMLFDUHERH-INIZCTEOSA-N 0 3 381.498 0.803 20 0 GCADHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N[C@H]1CCCN(CCCO)C1)C2=O ZINC000452380216 1197058222 /nfs/dbraw/zinc/05/82/22/1197058222.db2.gz FHMXYFRMNHVOCI-MGPUTAFESA-N 0 3 394.516 0.840 20 0 GCADHN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N[C@@H]1CCCN(CCCO)C1)C2=O ZINC000452380504 1197058275 /nfs/dbraw/zinc/05/82/75/1197058275.db2.gz GXWNWOLYZBLNQR-BZUAXINKSA-N 0 3 394.516 0.696 20 0 GCADHN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H]1CCCN(CCCO)C1)C2=O ZINC000452380507 1197058492 /nfs/dbraw/zinc/05/84/92/1197058492.db2.gz GXWNWOLYZBLNQR-UIVXKWKOSA-N 0 3 394.516 0.696 20 0 GCADHN COc1ccnc(N2CCC(C(=O)N[C@H]3CCCN(CCCO)C3)CC2)n1 ZINC000452379256 1197058572 /nfs/dbraw/zinc/05/85/72/1197058572.db2.gz ZGGRIWVWDLKYKJ-INIZCTEOSA-N 0 3 377.489 0.665 20 0 GCADHN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N[C@H]1CCCN(CCCO)C1)C2=O ZINC000452380218 1197058588 /nfs/dbraw/zinc/05/85/88/1197058588.db2.gz FHMXYFRMNHVOCI-YWZLYKJASA-N 0 3 394.516 0.840 20 0 GCADHN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H]1CCCN(CCCO)C1)C2=O ZINC000452380217 1197058757 /nfs/dbraw/zinc/05/87/57/1197058757.db2.gz FHMXYFRMNHVOCI-QRWLVFNGSA-N 0 3 394.516 0.840 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC000531256402 1197060966 /nfs/dbraw/zinc/06/09/66/1197060966.db2.gz TUZAICZCIWGVMH-INIZCTEOSA-N 0 3 399.499 0.596 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000531286153 1197062340 /nfs/dbraw/zinc/06/23/40/1197062340.db2.gz UYEPCLXNPDGULO-GOSISDBHSA-N 0 3 375.450 0.910 20 0 GCADHN COc1cc2nc(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)[nH]c2cc1OC ZINC000531294540 1197063701 /nfs/dbraw/zinc/06/37/01/1197063701.db2.gz VADWPZKISLVFKK-LLVKDONJSA-N 0 3 375.429 0.929 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000531335365 1197065872 /nfs/dbraw/zinc/06/58/72/1197065872.db2.gz GVBRPZINZGQXAB-UHFFFAOYSA-N 0 3 383.514 0.882 20 0 GCADHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000531378337 1197068765 /nfs/dbraw/zinc/06/87/65/1197068765.db2.gz XTZLWWKWNAEWKT-QGZVFWFLSA-N 0 3 399.538 0.891 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC000531482240 1197077430 /nfs/dbraw/zinc/07/74/30/1197077430.db2.gz SAXVUDJHVLMZNU-IRXDYDNUSA-N 0 3 386.562 0.765 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(=O)Nc1ccccc1 ZINC000531482968 1197078199 /nfs/dbraw/zinc/07/81/99/1197078199.db2.gz DBDQNRZAFBIJII-MRXNPFEDSA-N 0 3 375.473 0.867 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000531494551 1197079079 /nfs/dbraw/zinc/07/90/79/1197079079.db2.gz JBSBSTYPBQFMRF-INIZCTEOSA-N 0 3 386.456 0.775 20 0 GCADHN CC(C)Cn1cnc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000123140088 1197080504 /nfs/dbraw/zinc/08/05/04/1197080504.db2.gz OIFVORNPQCCXRS-OAHLLOKOSA-N 0 3 383.518 0.466 20 0 GCADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452780059 1197080647 /nfs/dbraw/zinc/08/06/47/1197080647.db2.gz HAVWUDCZHQVQBX-ROUUACIJSA-N 0 3 390.463 0.867 20 0 GCADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@H]1CCCN1CCCO ZINC000452782258 1197081269 /nfs/dbraw/zinc/08/12/69/1197081269.db2.gz JXMDTIURHBPRJO-QZTJIDSGSA-N 0 3 390.463 0.867 20 0 GCADHN COc1cccc(C[C@H](NC(C)=O)C(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000452797107 1197082770 /nfs/dbraw/zinc/08/27/70/1197082770.db2.gz ORKOXHYUQWXEKG-MJGOQNOKSA-N 0 3 377.485 0.705 20 0 GCADHN COC(C)(C)CN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000531579830 1197085649 /nfs/dbraw/zinc/08/56/49/1197085649.db2.gz MZINHTQAORIBEH-UHFFFAOYSA-N 0 3 392.456 0.978 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000531587040 1197086057 /nfs/dbraw/zinc/08/60/57/1197086057.db2.gz PYUOELVGWSZNRH-INIZCTEOSA-N 0 3 395.529 0.966 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)CN1Cc1ccccc1 ZINC000531597796 1197087221 /nfs/dbraw/zinc/08/72/21/1197087221.db2.gz PAIVRZCEZGCMCW-AEFFLSMTSA-N 0 3 394.541 0.343 20 0 GCADHN Cc1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1-n1cnnn1 ZINC000531718685 1197094869 /nfs/dbraw/zinc/09/48/69/1197094869.db2.gz JAZNNCHFZUCYPP-KRWDZBQOSA-N 0 3 398.471 0.741 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000531832639 1197099308 /nfs/dbraw/zinc/09/93/08/1197099308.db2.gz HULIGMMWLNPFMT-BBWFWOEESA-N 0 3 388.578 0.577 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000531832642 1197100019 /nfs/dbraw/zinc/10/00/19/1197100019.db2.gz HULIGMMWLNPFMT-YESZJQIVSA-N 0 3 388.578 0.577 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)C2)CC1 ZINC000531831936 1197100332 /nfs/dbraw/zinc/10/03/32/1197100332.db2.gz YOIHSFNMQBVJQV-OAHLLOKOSA-N 0 3 397.545 0.506 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000531901031 1197104053 /nfs/dbraw/zinc/10/40/53/1197104053.db2.gz DVOPSKVUQIWUDO-TZMCWYRMSA-N 0 3 382.486 0.005 20 0 GCADHN Cc1c(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cccc1-n1cnnn1 ZINC000531976101 1197105705 /nfs/dbraw/zinc/10/57/05/1197105705.db2.gz KBMIXXARCJWIEC-KRWDZBQOSA-N 0 3 398.471 0.741 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)n1 ZINC000453567659 1197109596 /nfs/dbraw/zinc/10/95/96/1197109596.db2.gz AFJLFHIHBONLHT-JKSUJKDBSA-N 0 3 379.505 1.546 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000532067981 1197109826 /nfs/dbraw/zinc/10/98/26/1197109826.db2.gz NBOYAERUFYFRGM-YOEHRIQHSA-N 0 3 393.513 0.580 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000532077791 1197112007 /nfs/dbraw/zinc/11/20/07/1197112007.db2.gz HNZTXTSVKULZHG-DOMZBBRYSA-N 0 3 399.538 0.982 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000453614951 1197113988 /nfs/dbraw/zinc/11/39/88/1197113988.db2.gz QIYAAOQGECJKFY-OLZOCXBDSA-N 0 3 376.457 0.969 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000453620643 1197114764 /nfs/dbraw/zinc/11/47/64/1197114764.db2.gz DYMDFYCDBRSQQF-AWEZNQCLSA-N 0 3 392.456 0.302 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000453629346 1197117239 /nfs/dbraw/zinc/11/72/39/1197117239.db2.gz ABBZTLODZVTPHU-CYBMUJFWSA-N 0 3 376.457 0.969 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(n2)CCC3)CC1 ZINC000453627389 1197117384 /nfs/dbraw/zinc/11/73/84/1197117384.db2.gz AFIOIBGHNIBHBD-UHFFFAOYSA-N 0 3 387.484 0.521 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453768177 1197129416 /nfs/dbraw/zinc/12/94/16/1197129416.db2.gz UMFAHBNYVRAXHZ-XJKCOSOUSA-N 0 3 388.468 0.921 20 0 GCADHN CCc1nnc(CNC(=O)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)[nH]1 ZINC000453778172 1197134261 /nfs/dbraw/zinc/13/42/61/1197134261.db2.gz XAJRVNJPEOZYHX-UHFFFAOYSA-N 0 3 385.472 0.764 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)NCCCCN2CCN(C)CC2)cc1F ZINC000532298647 1197136967 /nfs/dbraw/zinc/13/69/67/1197136967.db2.gz KHTUJKWIVWYKLJ-UHFFFAOYSA-N 0 3 396.463 0.925 20 0 GCADHN CCOC(=O)c1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453802137 1197137657 /nfs/dbraw/zinc/13/76/57/1197137657.db2.gz CIWDNGCJUGIZIN-CQSZACIVSA-N 0 3 377.441 0.765 20 0 GCADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453803889 1197138012 /nfs/dbraw/zinc/13/80/12/1197138012.db2.gz GXBRDGXZQUBFAY-CYBMUJFWSA-N 0 3 381.404 0.514 20 0 GCADHN CCOC(=O)c1ccsc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453805498 1197138945 /nfs/dbraw/zinc/13/89/45/1197138945.db2.gz LNQQKPKARHTAGU-LBPRGKRZSA-N 0 3 383.470 0.826 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cc(C)c1C ZINC000453807676 1197139650 /nfs/dbraw/zinc/13/96/50/1197139650.db2.gz POTSZELKMUXKOC-MRXNPFEDSA-N 0 3 391.468 0.992 20 0 GCADHN CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cc1OC ZINC000453808714 1197139672 /nfs/dbraw/zinc/13/96/72/1197139672.db2.gz SIBGUJDYPGSKOW-OAHLLOKOSA-N 0 3 379.457 0.995 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000453810077 1197140042 /nfs/dbraw/zinc/14/00/42/1197140042.db2.gz WFPKXPRYTWPJTF-OAHLLOKOSA-N 0 3 389.431 0.913 20 0 GCADHN C[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000453897925 1197146664 /nfs/dbraw/zinc/14/66/64/1197146664.db2.gz LLYBGPPQEBBYBX-CZUORRHYSA-N 0 3 376.457 0.865 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cn1C ZINC000532348028 1197146915 /nfs/dbraw/zinc/14/69/15/1197146915.db2.gz ZNXQWLNMELTLSJ-HNNXBMFYSA-N 0 3 398.529 0.601 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCc3cnc(N(C)C)n3C)C2)CC1 ZINC000532350256 1197147468 /nfs/dbraw/zinc/14/74/68/1197147468.db2.gz UXCARBJUTKVVIG-MRXNPFEDSA-N 0 3 377.537 0.796 20 0 GCADHN CCN1CCN(CCCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000041443819 1197150001 /nfs/dbraw/zinc/15/00/01/1197150001.db2.gz MTTIKFGUIWNLCL-OXQOHEQNSA-N 0 3 393.532 0.631 20 0 GCADHN CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc21 ZINC000453913143 1197150617 /nfs/dbraw/zinc/15/06/17/1197150617.db2.gz FRJMPCCEFAPANA-WMLDXEAASA-N 0 3 385.468 0.880 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(N4CCNC4=O)ccc3Cl)C[C@@H]21 ZINC000453914347 1197151506 /nfs/dbraw/zinc/15/15/06/1197151506.db2.gz IAGNJXBJNBZOII-ABAIWWIYSA-N 0 3 391.859 0.971 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000262786609 1197162686 /nfs/dbraw/zinc/16/26/86/1197162686.db2.gz MOUPKDZUIDXMIQ-WBMJQRKESA-N 0 3 397.488 0.900 20 0 GCADHN O=C(NCCN1CCCCCC1)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000172516272 1197173168 /nfs/dbraw/zinc/17/31/68/1197173168.db2.gz AQPRRHTYYQWWLW-UHFFFAOYSA-N 0 3 375.408 0.732 20 0 GCADHN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc21 ZINC000453920760 1197176809 /nfs/dbraw/zinc/17/68/09/1197176809.db2.gz RIKOCVWTJLOEJR-WMLDXEAASA-N 0 3 383.452 0.488 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000175803817 1197186013 /nfs/dbraw/zinc/18/60/13/1197186013.db2.gz CUVSMPVJORJOBL-GOSISDBHSA-N 0 3 389.548 0.972 20 0 GCADHN CCN1C[C@H](NC(=O)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1=O ZINC000453923670 1197186948 /nfs/dbraw/zinc/18/69/48/1197186948.db2.gz IFTWMKZAQVVAPQ-MRXNPFEDSA-N 0 3 387.484 0.504 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177165439 1197188880 /nfs/dbraw/zinc/18/88/80/1197188880.db2.gz SETZYLOPIJLODD-ZFWWWQNUSA-N 0 3 389.500 0.589 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177165439 1197188882 /nfs/dbraw/zinc/18/88/82/1197188882.db2.gz SETZYLOPIJLODD-ZFWWWQNUSA-N 0 3 389.500 0.589 20 0 GCADHN COc1ccc(N2C[C@H](NC(=O)N[C@H]3CCCN(CCCO)C3)CC2=O)cc1 ZINC000666090838 1197190204 /nfs/dbraw/zinc/19/02/04/1197190204.db2.gz OZFKGGHTAWQCCW-JKSUJKDBSA-N 0 3 390.484 0.947 20 0 GCADHN CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1F ZINC000453925700 1197198690 /nfs/dbraw/zinc/19/86/90/1197198690.db2.gz ZRRSJXIAWQTWQF-SMDDNHRTSA-N 0 3 398.460 0.177 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)Cn2ncn(C)c2=O)cc1)[C@@H]1CCCN(C)C1 ZINC000182162120 1197206598 /nfs/dbraw/zinc/20/65/98/1197206598.db2.gz DRBBFJDMFAJSLM-MRXNPFEDSA-N 0 3 386.456 0.387 20 0 GCADHN Cc1nc(Cn2cc(C(=O)Nc3cccc(CN4CC[C@@H](O)C4)c3)nn2)no1 ZINC000428535055 1197208531 /nfs/dbraw/zinc/20/85/31/1197208531.db2.gz KMTCVOHRTWVNPT-OAHLLOKOSA-N 0 3 383.412 0.837 20 0 GCADHN Cn1c2ncn(CCN3CC[C@@H](Oc4cccc(F)c4)C3)c2c(=O)n(C)c1=O ZINC000183371367 1197208626 /nfs/dbraw/zinc/20/86/26/1197208626.db2.gz CBCXLRNMZLGHGM-OAHLLOKOSA-N 0 3 387.415 0.726 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC(Cn3cncn3)CC2)CC1 ZINC000187058805 1197229954 /nfs/dbraw/zinc/22/99/54/1197229954.db2.gz DAXIFADVSXDHNE-QGZVFWFLSA-N 0 3 377.537 0.973 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)n(-c2ccc(C)nn2)n1 ZINC000187918891 1197231240 /nfs/dbraw/zinc/23/12/40/1197231240.db2.gz WDHOPXOWJGTCLX-HNNXBMFYSA-N 0 3 383.456 0.914 20 0 GCADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)C1 ZINC000188757641 1197233744 /nfs/dbraw/zinc/23/37/44/1197233744.db2.gz QUOJYTNDLRKZEW-CABCVRRESA-N 0 3 388.516 0.508 20 0 GCADHN C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)C1 ZINC000188757666 1197233954 /nfs/dbraw/zinc/23/39/54/1197233954.db2.gz QUOJYTNDLRKZEW-GJZGRUSLSA-N 0 3 388.516 0.508 20 0 GCADHN CSc1nnnn1-c1cccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000453938915 1197233994 /nfs/dbraw/zinc/23/39/94/1197233994.db2.gz SXEMAUYRKHFCTK-SMDDNHRTSA-N 0 3 387.469 0.485 20 0 GCADHN CC(=O)NCCNC(=O)CCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428541555 1197234512 /nfs/dbraw/zinc/23/45/12/1197234512.db2.gz PRPRAEYGORPMRO-KRWDZBQOSA-N 0 3 376.457 0.224 20 0 GCADHN Cn1cc(S(N)(=O)=O)cc1CC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428542588 1197236438 /nfs/dbraw/zinc/23/64/38/1197236438.db2.gz GGOLGAAJRGIVHR-MRXNPFEDSA-N 0 3 392.481 0.420 20 0 GCADHN CCN1CCO[C@@H](CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)[C@@H]1c1cnn(C)c1 ZINC000666233193 1197248548 /nfs/dbraw/zinc/24/85/48/1197248548.db2.gz KNCAISUJBRUTPC-WNHJNPCNSA-N 0 3 390.532 0.918 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 ZINC000193100509 1197249316 /nfs/dbraw/zinc/24/93/16/1197249316.db2.gz HGUUJBAAXWOCAQ-OAHLLOKOSA-N 0 3 394.541 0.900 20 0 GCADHN COCCNC(=O)Cn1cc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cn1 ZINC000666245795 1197251689 /nfs/dbraw/zinc/25/16/89/1197251689.db2.gz GSZSLWQDALTQEC-MRXNPFEDSA-N 0 3 394.476 0.021 20 0 GCADHN CN1CCN(c2cc(CNC(=O)CCCCN3CCOCC3)ccn2)CC1 ZINC000170694486 1197255410 /nfs/dbraw/zinc/25/54/10/1197255410.db2.gz PAYCSRXPGSSXDM-UHFFFAOYSA-N 0 3 375.517 0.952 20 0 GCADHN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)c1C ZINC000263252686 1197256842 /nfs/dbraw/zinc/25/68/42/1197256842.db2.gz PLHIGBZJQZOKII-INIZCTEOSA-N 0 3 384.502 0.592 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@H](C)N(C)C)nnn1CCOc1ccc(F)cc1 ZINC000453955258 1197257379 /nfs/dbraw/zinc/25/73/79/1197257379.db2.gz JGQZPSTYBARZDK-LBPRGKRZSA-N 0 3 392.435 0.809 20 0 GCADHN NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000666297419 1197258041 /nfs/dbraw/zinc/25/80/41/1197258041.db2.gz LWQWQOFTMCRKMY-SJORKVTESA-N 0 3 380.514 0.683 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cn1 ZINC000428552352 1197268118 /nfs/dbraw/zinc/26/81/18/1197268118.db2.gz UXQLAUKZQRPZBU-MRXNPFEDSA-N 0 3 390.465 0.809 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000103449108 1197274579 /nfs/dbraw/zinc/27/45/79/1197274579.db2.gz QCSJWVAFTRKABO-QGZVFWFLSA-N 0 3 378.517 0.648 20 0 GCADHN CC(C)CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCN(C)CC1 ZINC000053231977 1197278909 /nfs/dbraw/zinc/27/89/09/1197278909.db2.gz RVDCISMBSAWKHG-WBVHZDCISA-N 0 3 399.557 0.601 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCN(c3ncc[nH]3)CC2)c1 ZINC000653645248 1197282932 /nfs/dbraw/zinc/28/29/32/1197282932.db2.gz FAPRTLMYVYDDEL-UHFFFAOYSA-N 0 3 378.458 0.208 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C3CCC3)C2)CC1 ZINC000666500400 1197283618 /nfs/dbraw/zinc/28/36/18/1197283618.db2.gz WBHBQYGGPBBZRI-IAGOWNOFSA-N 0 3 376.501 0.400 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000666521734 1197285936 /nfs/dbraw/zinc/28/59/36/1197285936.db2.gz QLHGYVPWGHUNJM-UHFFFAOYSA-N 0 3 389.460 0.055 20 0 GCADHN CN(CCN1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1)Cc1ccccc1 ZINC000104438067 1197297141 /nfs/dbraw/zinc/29/71/41/1197297141.db2.gz LYUMTGJJRZFNFA-SFHVURJKSA-N 0 3 379.526 0.697 20 0 GCADHN COc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000040616359 1197299827 /nfs/dbraw/zinc/29/98/27/1197299827.db2.gz OJMYUADCGJLLON-UHFFFAOYSA-N 0 3 383.514 0.770 20 0 GCADHN Cc1nc[n-]c(=O)c1CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC000988314342 1197306722 /nfs/dbraw/zinc/30/67/22/1197306722.db2.gz BCHYUYKRDVMASN-SRABZTEZSA-N 0 3 389.500 0.869 20 0 GCADHN Cc1nc[n-]c(=O)c1CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC000988314342 1197306726 /nfs/dbraw/zinc/30/67/26/1197306726.db2.gz BCHYUYKRDVMASN-SRABZTEZSA-N 0 3 389.500 0.869 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000193570300 1197307773 /nfs/dbraw/zinc/30/77/73/1197307773.db2.gz JKPJKKLBLMFPQL-ROUUACIJSA-N 0 3 379.549 0.914 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000193577925 1197310882 /nfs/dbraw/zinc/31/08/82/1197310882.db2.gz ITWOPBRKCFGLBE-HZSPNIEDSA-N 0 3 378.439 0.833 20 0 GCADHN CCN1CCN(CCC(=O)N2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000888203966 1197313977 /nfs/dbraw/zinc/31/39/77/1197313977.db2.gz ZBUPCDLEBZDNIG-HXUWFJFHSA-N 0 3 381.517 0.711 20 0 GCADHN CC(C)OC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000454030820 1197315862 /nfs/dbraw/zinc/31/58/62/1197315862.db2.gz SIXNMYGDVQGHOV-ZDUSSCGKSA-N 0 3 392.456 0.949 20 0 GCADHN COc1cc([C@@H](C)NCCNC(=O)c2cnccn2)ccc1S(C)(=O)=O ZINC000532490448 1197317322 /nfs/dbraw/zinc/31/73/22/1197317322.db2.gz HNVUSPYPLAWBAH-GFCCVEGCSA-N 0 3 378.454 0.969 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)c1 ZINC000454059148 1197317845 /nfs/dbraw/zinc/31/78/45/1197317845.db2.gz BZGCDUWHGKVIIO-INIZCTEOSA-N 0 3 375.473 0.949 20 0 GCADHN CC[C@@H](O)[C@H](CC)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000454048226 1197319239 /nfs/dbraw/zinc/31/92/39/1197319239.db2.gz NUGFJFYRIKCUFT-DZGCQCFKSA-N 0 3 392.456 0.760 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000532498918 1197319587 /nfs/dbraw/zinc/31/95/87/1197319587.db2.gz IETCPFMCUKFXJH-UHFFFAOYSA-N 0 3 390.532 0.952 20 0 GCADHN CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000532531243 1197321065 /nfs/dbraw/zinc/32/10/65/1197321065.db2.gz NEEVWVGSMFCPNU-ZBFHGGJFSA-N 0 3 398.467 0.519 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccnc(N3CCCCC3)n2)CC1 ZINC000532534181 1197322938 /nfs/dbraw/zinc/32/29/38/1197322938.db2.gz NAQDRHFHLQQNNL-QGZVFWFLSA-N 0 3 386.500 0.846 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccnc(N3CCCCC3)n2)CC1 ZINC000532534180 1197323121 /nfs/dbraw/zinc/32/31/21/1197323121.db2.gz NAQDRHFHLQQNNL-KRWDZBQOSA-N 0 3 386.500 0.846 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)C(=O)NCCCc2ccccc2)CC1 ZINC000104875852 1197326032 /nfs/dbraw/zinc/32/60/32/1197326032.db2.gz KZFOJPCLOLHYEY-GOSISDBHSA-N 0 3 386.496 0.676 20 0 GCADHN CCC(CC)N1C[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000106765572 1197327919 /nfs/dbraw/zinc/32/79/19/1197327919.db2.gz LHFYFEDXQMLULM-RHSMWYFYSA-N 0 3 378.517 0.964 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000729612437 1197333836 /nfs/dbraw/zinc/33/38/36/1197333836.db2.gz WUYMNZPABHYBMJ-HZPDHXFCSA-N 0 3 382.505 0.724 20 0 GCADHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccoc1CC(N)=O)N(C)C ZINC001719916056 1197334628 /nfs/dbraw/zinc/33/46/28/1197334628.db2.gz UXPQTCHIABQKNN-NGFQHRJXSA-N 0 3 376.457 0.509 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC(=O)N(C)C)C3)C1 ZINC001719916096 1197334971 /nfs/dbraw/zinc/33/49/71/1197334971.db2.gz WKIHPRCSPTTWQQ-VQHPVUNQSA-N 0 3 378.517 0.835 20 0 GCADHN CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cnccc1=O)N(C)C ZINC001719916030 1197335002 /nfs/dbraw/zinc/33/50/02/1197335002.db2.gz TYJLDCXXUNCGEM-FPCVCCKLSA-N 0 3 375.473 0.222 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCCc2ccccc2)CC1 ZINC000104899522 1197336540 /nfs/dbraw/zinc/33/65/40/1197336540.db2.gz UAAKREYJDWEUDG-UHFFFAOYSA-N 0 3 386.496 0.502 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000454160268 1197336988 /nfs/dbraw/zinc/33/69/88/1197336988.db2.gz DCUKIAVNLSBZAO-HNNXBMFYSA-N 0 3 384.502 0.905 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NCCCCN2CCN(C)CC2)c(Cl)n1 ZINC000897464946 1197339439 /nfs/dbraw/zinc/33/94/39/1197339439.db2.gz SKKVDYWQUUVWPG-UHFFFAOYSA-N 0 3 381.908 0.803 20 0 GCADHN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000120883366 1197342574 /nfs/dbraw/zinc/34/25/74/1197342574.db2.gz RIFNQMYSRLYFDR-TZMCWYRMSA-N 0 3 378.498 0.807 20 0 GCADHN C[C@H](NC(=O)CN1CCC[C@@H]1[C@H]1COCC[C@]1(C)O)C(=O)N1CCCCC1 ZINC000332772832 1197343552 /nfs/dbraw/zinc/34/35/52/1197343552.db2.gz FRZDQKOVOYGDED-XLSPSMHOSA-N 0 3 381.517 0.756 20 0 GCADHN C[C@@H](CNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000332818832 1197344466 /nfs/dbraw/zinc/34/44/66/1197344466.db2.gz WNEPGWVYQBLPMF-ROUUACIJSA-N 0 3 394.564 0.849 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000332837429 1197344867 /nfs/dbraw/zinc/34/48/67/1197344867.db2.gz YLMOPPCEMNDNOL-ROUUACIJSA-N 0 3 394.564 0.992 20 0 GCADHN Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H](C)CN3CCN(C)CC3)C2)nn1 ZINC000332918909 1197346984 /nfs/dbraw/zinc/34/69/84/1197346984.db2.gz ARRPEYDFFXLFGT-SJLPKXTDSA-N 0 3 389.548 0.937 20 0 GCADHN [NH3+]Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000666650339 1197350871 /nfs/dbraw/zinc/35/08/71/1197350871.db2.gz JHDXFCDNYYCWMF-UHFFFAOYSA-N 0 3 382.420 0.774 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000729618522 1197353865 /nfs/dbraw/zinc/35/38/65/1197353865.db2.gz CKRRGWVEVPYZPM-SJORKVTESA-N 0 3 379.505 0.783 20 0 GCADHN CN(C)CCN(C)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000475896758 1197354144 /nfs/dbraw/zinc/35/41/44/1197354144.db2.gz MBWJOUWNSLCZPK-MRXNPFEDSA-N 0 3 398.529 0.847 20 0 GCADHN CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(CCCN2C(=O)CNC2=O)[C@@H]1C ZINC001088573798 1197354578 /nfs/dbraw/zinc/35/45/78/1197354578.db2.gz KTYKRBYLYMWOFX-AESZEHBQSA-N 0 3 380.489 0.568 20 0 GCADHN COc1ccc2c(c1)C[C@H](NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C2 ZINC001168258759 1197355689 /nfs/dbraw/zinc/35/56/89/1197355689.db2.gz FZFKSCGJZDROEK-APWZRJJASA-N 0 3 383.448 0.670 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000475898292 1197355904 /nfs/dbraw/zinc/35/59/04/1197355904.db2.gz ICOPUEGRBZDVCU-INIZCTEOSA-N 0 3 390.550 0.599 20 0 GCADHN CN(CC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ncnc2nc[nH]c21 ZINC000127065777 1197360022 /nfs/dbraw/zinc/36/00/22/1197360022.db2.gz HYDBXYIZAKSTQT-CVEARBPZSA-N 0 3 395.467 0.541 20 0 GCADHN CN(CC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ncnc2nc[nH]c21 ZINC000127065558 1197360037 /nfs/dbraw/zinc/36/00/37/1197360037.db2.gz HYDBXYIZAKSTQT-HOTGVXAUSA-N 0 3 395.467 0.541 20 0 GCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000127343073 1197360873 /nfs/dbraw/zinc/36/08/73/1197360873.db2.gz POFQSXYGICAZDY-DLBZAZTESA-N 0 3 395.463 0.625 20 0 GCADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001709132660 1197362626 /nfs/dbraw/zinc/36/26/26/1197362626.db2.gz ACMZRCZDFCNAQP-MRXNPFEDSA-N 0 3 392.504 0.000 20 0 GCADHN Cn1cc([C@H]2[C@H](CNC(=O)N3CC[C@@H]4CCN(C)C[C@H]43)OCCN2C)cn1 ZINC000666674762 1197364586 /nfs/dbraw/zinc/36/45/86/1197364586.db2.gz GCDVHUSBCKJFBU-RANZSIQMSA-N 0 3 376.505 0.527 20 0 GCADHN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)C(=O)NC[C@]3(N(C)C)CCSC3)O2)[C@H]1C ZINC000897475089 1197365971 /nfs/dbraw/zinc/36/59/71/1197365971.db2.gz KDLBKAFXEKVBTO-ZWHCBUBPSA-N 0 3 399.557 0.629 20 0 GCADHN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)C(=O)NC[C@@]3(N(C)C)CCSC3)O2)CO1 ZINC000897475527 1197367846 /nfs/dbraw/zinc/36/78/46/1197367846.db2.gz VRGQVOUQAQDYAW-KJWYOANISA-N 0 3 385.530 0.383 20 0 GCADHN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)C(=O)NC[C@]3(N(C)C)CCSC3)O2)CO1 ZINC000897475525 1197368166 /nfs/dbraw/zinc/36/81/66/1197368166.db2.gz VRGQVOUQAQDYAW-DTTOXWODSA-N 0 3 385.530 0.383 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCN(CC(N)=O)CC2)CC1 ZINC000051502652 1197383224 /nfs/dbraw/zinc/38/32/24/1197383224.db2.gz YAWNJJAIJPSYFE-UHFFFAOYSA-N 0 3 387.528 0.132 20 0 GCADHN CC[C@](C)(NCC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)C(N)=O ZINC000133807351 1197384261 /nfs/dbraw/zinc/38/42/61/1197384261.db2.gz VCJUEHCAGUDKIU-FQEVSTJZSA-N 0 3 376.501 0.973 20 0 GCADHN CN(Cc1ccccc1)C[C@H](O)Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O ZINC000151876768 1197386099 /nfs/dbraw/zinc/38/60/99/1197386099.db2.gz NGGBLXFJPCCMHG-RDJZCZTQSA-N 0 3 377.416 0.951 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2cc(F)c(Br)cc2F)no1 ZINC001211956268 1197387422 /nfs/dbraw/zinc/38/74/22/1197387422.db2.gz SBJRIRJLURISGY-VIFPVBQESA-N 0 3 377.145 0.886 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000614845007 1197387464 /nfs/dbraw/zinc/38/74/64/1197387464.db2.gz BCDQLBIADSUFFB-UONOGXRCSA-N 0 3 383.876 0.606 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2cc(F)c(Br)c(F)c2)no1 ZINC001211959073 1197387491 /nfs/dbraw/zinc/38/74/91/1197387491.db2.gz YCEMJBJIVGIMMF-QMMMGPOBSA-N 0 3 377.145 0.886 20 0 GCADHN Cc1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000614847330 1197387804 /nfs/dbraw/zinc/38/78/04/1197387804.db2.gz LTISFFXXVFSNDK-MRXNPFEDSA-N 0 3 383.514 0.868 20 0 GCADHN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H](CO)CN(C)C)CC2 ZINC000614845947 1197387834 /nfs/dbraw/zinc/38/78/34/1197387834.db2.gz FRDMXBYFQGTTMP-MRXNPFEDSA-N 0 3 393.484 0.407 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000614853258 1197388474 /nfs/dbraw/zinc/38/84/74/1197388474.db2.gz VIMINRAYUHKVTM-CYBMUJFWSA-N 0 3 397.522 0.795 20 0 GCADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614851926 1197388515 /nfs/dbraw/zinc/38/85/15/1197388515.db2.gz MLFLZDQZTJCBLY-SJHCENCUSA-N 0 3 391.390 0.011 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000614851824 1197388648 /nfs/dbraw/zinc/38/86/48/1197388648.db2.gz DCNBRCFJIRSZFK-GJZGRUSLSA-N 0 3 392.456 0.493 20 0 GCADHN C[C@@H](Sc1ncccc1C(=O)N[C@@H](CO)CN(C)C)C(=O)N1CCCC1 ZINC000614851430 1197388936 /nfs/dbraw/zinc/38/89/36/1197388936.db2.gz AGCYBFJYICRWNS-ZIAGYGMSSA-N 0 3 380.514 0.837 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000614858929 1197390424 /nfs/dbraw/zinc/39/04/24/1197390424.db2.gz MLECTENZBWSBIT-VKJFTORMSA-N 0 3 381.473 0.755 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CO)CN(C)C ZINC000614858516 1197390833 /nfs/dbraw/zinc/39/08/33/1197390833.db2.gz IFUBLXFGJWEEPV-CMPLNLGQSA-N 0 3 397.419 0.411 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000614861244 1197391632 /nfs/dbraw/zinc/39/16/32/1197391632.db2.gz YUTKNFNKFNVHHK-INIZCTEOSA-N 0 3 383.514 0.904 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CN1Cc1ccccc1 ZINC000137518128 1197392122 /nfs/dbraw/zinc/39/21/22/1197392122.db2.gz PDWIFZBRRLCXDO-ZBFHGGJFSA-N 0 3 391.497 0.478 20 0 GCADHN O=c1[nH]c2ccccc2n1CCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000532711602 1197395639 /nfs/dbraw/zinc/39/56/39/1197395639.db2.gz QCLXLXZFVDAINZ-RDJZCZTQSA-N 0 3 394.497 0.219 20 0 GCADHN CC(C)c1nnc(NC(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000141548304 1197396259 /nfs/dbraw/zinc/39/62/59/1197396259.db2.gz IRIHODUPNLDHMI-CYBMUJFWSA-N 0 3 380.518 0.838 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)N1CCN(C)CC1 ZINC000193915728 1197397878 /nfs/dbraw/zinc/39/78/78/1197397878.db2.gz MBDOYKTZBUTEJH-IBGZPJMESA-N 0 3 387.528 0.959 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3OC)c2)CC1 ZINC000666735728 1197399267 /nfs/dbraw/zinc/39/92/67/1197399267.db2.gz DZUGBAXGXWVOPA-IAGOWNOFSA-N 0 3 396.513 0.762 20 0 GCADHN CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCCOC1 ZINC000897494316 1197402673 /nfs/dbraw/zinc/40/26/73/1197402673.db2.gz NNPOMTHLNUNBKR-SQNIBIBYSA-N 0 3 382.549 0.698 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN2CCN(c3ccnc(N(C)C)n3)CC2)C[C@@H](C)O1 ZINC000532731932 1197406491 /nfs/dbraw/zinc/40/64/91/1197406491.db2.gz GCTSCIDTHISPRI-ZACQAIPSSA-N 0 3 378.521 0.135 20 0 GCADHN C[C@]1(n2cc(CNC[C@@H]3CCCN3c3cccnn3)cn2)CCS(=O)(=O)C1 ZINC000532866156 1197418300 /nfs/dbraw/zinc/41/83/00/1197418300.db2.gz XSKGDKVHPBCZGE-WMZOPIPTSA-N 0 3 390.513 0.965 20 0 GCADHN COC(=O)CN(C)C(=O)CCN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000533029713 1197428876 /nfs/dbraw/zinc/42/88/76/1197428876.db2.gz CHCZQXNRSWCKDO-UHFFFAOYSA-N 0 3 397.497 0.451 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000454760373 1197431380 /nfs/dbraw/zinc/43/13/80/1197431380.db2.gz ZXSCYJLBCAULKT-AWEZNQCLSA-N 0 3 384.502 0.905 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000454760374 1197431449 /nfs/dbraw/zinc/43/14/49/1197431449.db2.gz ZXSCYJLBCAULKT-CQSZACIVSA-N 0 3 384.502 0.905 20 0 GCADHN O=S(=O)(NCC1(N2CCCC2)CCOCC1)c1cnn([C@@H]2CCOC2)c1 ZINC000533097554 1197431660 /nfs/dbraw/zinc/43/16/60/1197431660.db2.gz KUDHPFBHTYGOSP-OAHLLOKOSA-N 0 3 384.502 0.768 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2cnn(C3CCOCC3)c2)CC1 ZINC000533091388 1197432491 /nfs/dbraw/zinc/43/24/91/1197432491.db2.gz YHYVDLFVQWZQRE-UHFFFAOYSA-N 0 3 386.518 0.748 20 0 GCADHN CN(C)CCN(C)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000475951784 1197432659 /nfs/dbraw/zinc/43/26/59/1197432659.db2.gz AARATDMBQFERKU-UHFFFAOYSA-N 0 3 398.529 0.552 20 0 GCADHN CC(C)Cn1nccc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000533319269 1197445540 /nfs/dbraw/zinc/44/55/40/1197445540.db2.gz LTDMBAZKQISYJG-HNNXBMFYSA-N 0 3 392.504 0.537 20 0 GCADHN CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000897512888 1197445636 /nfs/dbraw/zinc/44/56/36/1197445636.db2.gz CJWOEQFVTQXVKJ-KZNAEPCWSA-N 0 3 377.485 0.538 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1)N1CCCC1 ZINC000533471792 1197453333 /nfs/dbraw/zinc/45/33/33/1197453333.db2.gz LYQUXPMKSKHTLY-AWEZNQCLSA-N 0 3 381.498 0.813 20 0 GCADHN COCCN1CCN(c2cc(N3CCN(CCOC)CC3)nc(C)n2)CC1 ZINC000533559379 1197458235 /nfs/dbraw/zinc/45/82/35/1197458235.db2.gz BEUAXJJGXJQSQD-UHFFFAOYSA-N 0 3 378.521 0.322 20 0 GCADHN CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000533650370 1197464687 /nfs/dbraw/zinc/46/46/87/1197464687.db2.gz YSKJEWHWGKRIIV-KBPBESRZSA-N 0 3 392.504 0.879 20 0 GCADHN CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000533650370 1197464689 /nfs/dbraw/zinc/46/46/89/1197464689.db2.gz YSKJEWHWGKRIIV-KBPBESRZSA-N 0 3 392.504 0.879 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cncc(C(F)(F)F)c2)no1)C(N)=O ZINC001211998300 1197465467 /nfs/dbraw/zinc/46/54/67/1197465467.db2.gz MYOQWWGQBQNRGW-OIBJUYFYSA-N 0 3 386.334 0.400 20 0 GCADHN COc1cccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c1OC ZINC001211998339 1197465941 /nfs/dbraw/zinc/46/59/41/1197465941.db2.gz OHCDIQVNZKRKGL-GXSJLCMTSA-N 0 3 377.401 0.004 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccccc2-n2ccnc2)no1)C(N)=O ZINC001211998551 1197465954 /nfs/dbraw/zinc/46/59/54/1197465954.db2.gz UUDUVJOYLRLJJD-WCQYABFASA-N 0 3 383.412 0.172 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(C(F)(F)F)nc2)no1)C(N)=O ZINC001211998703 1197466346 /nfs/dbraw/zinc/46/63/46/1197466346.db2.gz XNRBLIWGZVCLDP-IONNQARKSA-N 0 3 386.334 0.400 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)NCC(C)(C)N2CCOCC2)C[C@@H](C)O1 ZINC000066961290 1197467411 /nfs/dbraw/zinc/46/74/11/1197467411.db2.gz DCKRMCSIKJNRDJ-QRVBRYPASA-N 0 3 396.576 0.787 20 0 GCADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000067208972 1197468026 /nfs/dbraw/zinc/46/80/26/1197468026.db2.gz VCZAWEGLLXYNSV-AWEZNQCLSA-N 0 3 393.447 0.765 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(CN2CCOCC2)CC1 ZINC000069028766 1197468670 /nfs/dbraw/zinc/46/86/70/1197468670.db2.gz HJFCCKOSWOCIJB-LBPRGKRZSA-N 0 3 380.411 0.807 20 0 GCADHN COc1ccc(-c2noc([C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)n2)cn1 ZINC001212000290 1197469557 /nfs/dbraw/zinc/46/95/57/1197469557.db2.gz BCRZYYUZHWPMDK-GJZGRUSLSA-N 0 3 399.407 0.565 20 0 GCADHN Cc1ccnc(-c2noc([C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)n2)c1 ZINC001212000615 1197469826 /nfs/dbraw/zinc/46/98/26/1197469826.db2.gz PGTDYFCVNCHVGT-HOCLYGCPSA-N 0 3 383.408 0.865 20 0 GCADHN COc1cc(Cl)cnc1-c1noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001212000500 1197469995 /nfs/dbraw/zinc/46/99/95/1197469995.db2.gz JXVNLVJVUDNZEJ-IONNQARKSA-N 0 3 382.808 0.044 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](O)CN2CCOCC2)CN1Cc1ccccc1 ZINC000246587169 1197472805 /nfs/dbraw/zinc/47/28/05/1197472805.db2.gz PDNKTELJTGCAFE-YZGWKJHDSA-N 0 3 390.528 0.984 20 0 GCADHN Cc1c(Br)cncc1-c1noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n1 ZINC001212022884 1197475118 /nfs/dbraw/zinc/47/51/18/1197475118.db2.gz HTHJEGMMCIVBPK-XVKPBYJWSA-N 0 3 397.233 0.582 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000247234800 1197475955 /nfs/dbraw/zinc/47/59/55/1197475955.db2.gz XEWMKYGOTNGJSP-OALUTQOASA-N 0 3 398.507 0.800 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000248851740 1197479992 /nfs/dbraw/zinc/47/99/92/1197479992.db2.gz OVDDPORUTDFNBL-MISYRCLQSA-N 0 3 390.528 0.841 20 0 GCADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC1CCCCCCC1 ZINC001482769514 1197489035 /nfs/dbraw/zinc/48/90/35/1197489035.db2.gz HBDJZVFJCVRVOG-MLHJIOFPSA-N 0 3 381.517 0.850 20 0 GCADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC1CCCCCCC1 ZINC001482769515 1197489158 /nfs/dbraw/zinc/48/91/58/1197489158.db2.gz HBDJZVFJCVRVOG-TVFCKZIOSA-N 0 3 381.517 0.850 20 0 GCADHN O=C(NC1CC1)[C@@H]1CCCN1CC1(CN2CCC[C@H]2C(=O)NC2CC2)COC1 ZINC000252735442 1197496238 /nfs/dbraw/zinc/49/62/38/1197496238.db2.gz MSHBYIJGFUWMFA-ROUUACIJSA-N 0 3 390.528 0.489 20 0 GCADHN Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](c2ccccc2)N(C)C)cn1C ZINC000116609699 1197509141 /nfs/dbraw/zinc/50/91/41/1197509141.db2.gz ROKNXODLPFYVRT-HNNXBMFYSA-N 0 3 379.486 0.426 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000261651518 1197510377 /nfs/dbraw/zinc/51/03/77/1197510377.db2.gz AAILEVGKAAIIHZ-QGZVFWFLSA-N 0 3 384.484 0.271 20 0 GCADHN COCCOc1cccc(CNC(=O)CN2CCNC[C@H]2c2nccn2C)c1 ZINC000261730675 1197513221 /nfs/dbraw/zinc/51/32/21/1197513221.db2.gz JLFKMLDMFCOTDM-SFHVURJKSA-N 0 3 387.484 0.708 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000261845746 1197516654 /nfs/dbraw/zinc/51/66/54/1197516654.db2.gz XGPOTJRZJNYFCE-HNNXBMFYSA-N 0 3 385.407 0.120 20 0 GCADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)c1 ZINC000261966270 1197520767 /nfs/dbraw/zinc/52/07/67/1197520767.db2.gz AYYAIHUXPSSPGK-WBMJQRKESA-N 0 3 384.502 0.801 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000262074661 1197524364 /nfs/dbraw/zinc/52/43/64/1197524364.db2.gz KFBRPJLHNKHTOF-INIZCTEOSA-N 0 3 382.411 0.349 20 0 GCADHN Cc1ccc(CNC(=O)C2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)cc1 ZINC000262257461 1197528188 /nfs/dbraw/zinc/52/81/88/1197528188.db2.gz XIGHEQMFPGJURS-IBGZPJMESA-N 0 3 388.512 0.949 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N(CCN2CCOCC2)[C@H]2CCSC2)CC1=O ZINC000615098974 1197533559 /nfs/dbraw/zinc/53/35/59/1197533559.db2.gz UQONUFURCCIWQM-IRXDYDNUSA-N 0 3 398.573 0.063 20 0 GCADHN CCC1(N2CCOCC2)CCN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000629416202 1197543699 /nfs/dbraw/zinc/54/36/99/1197543699.db2.gz HHYQWZJPMKXLDH-INIZCTEOSA-N 0 3 387.546 0.209 20 0 GCADHN C[C@@H](NC(=O)CCCNC(=O)c1ccco1)C(=O)NCCN1CCCCC1 ZINC000508695487 1197550986 /nfs/dbraw/zinc/55/09/86/1197550986.db2.gz PYOQQLODKWTXIA-OAHLLOKOSA-N 0 3 378.473 0.896 20 0 GCADHN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000508697253 1197551402 /nfs/dbraw/zinc/55/14/02/1197551402.db2.gz LYDHYBQHKJCIRU-DYESRHJHSA-N 0 3 386.496 0.934 20 0 GCADHN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000508697254 1197551505 /nfs/dbraw/zinc/55/15/05/1197551505.db2.gz LYDHYBQHKJCIRU-LAUBAEHRSA-N 0 3 386.496 0.934 20 0 GCADHN C[C@@H](NC(=O)CNc1ccccc1C(N)=O)C(=O)NCCN1CCCCC1 ZINC000508706357 1197554942 /nfs/dbraw/zinc/55/49/42/1197554942.db2.gz KNBYRGKDLNSNML-CQSZACIVSA-N 0 3 375.473 0.304 20 0 GCADHN C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)NCCN1CCCCC1 ZINC000508706776 1197555355 /nfs/dbraw/zinc/55/53/55/1197555355.db2.gz OEOYOEAHKMVAOL-CQSZACIVSA-N 0 3 396.513 0.779 20 0 GCADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)NCCCCn3ccnc3C)C2)CC1 ZINC000508717953 1197558040 /nfs/dbraw/zinc/55/80/40/1197558040.db2.gz MTKDZBXAJZJNAN-GOSISDBHSA-N 0 3 390.532 0.326 20 0 GCADHN O=C(NCCNC(=O)c1ccn[nH]1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000508731095 1197567460 /nfs/dbraw/zinc/56/74/60/1197567460.db2.gz QVQVVEQRYTXJSD-IBGZPJMESA-N 0 3 386.456 0.076 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCc2ccccc2S(C)(=O)=O)C1 ZINC000611969742 1197570743 /nfs/dbraw/zinc/57/07/43/1197570743.db2.gz CPDFZFGFVVEJLH-CQSZACIVSA-N 0 3 381.498 0.695 20 0 GCADHN C[C@H](NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)[C@@H]1CCOC1 ZINC000162800177 1197573223 /nfs/dbraw/zinc/57/32/23/1197573223.db2.gz OCFBQVKRWHXTNR-DZGCQCFKSA-N 0 3 386.452 0.375 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)C[C@@H](CC)O1 ZINC000422081962 1197574102 /nfs/dbraw/zinc/57/41/02/1197574102.db2.gz DOCZOMKNUXVCNC-KZNAEPCWSA-N 0 3 382.549 0.792 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000332948662 1197574705 /nfs/dbraw/zinc/57/47/05/1197574705.db2.gz SFHACRSAHDMRSP-QYZOEREBSA-N 0 3 392.544 0.570 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000429766785 1197576447 /nfs/dbraw/zinc/57/64/47/1197576447.db2.gz PUXBHWGNWATTSX-HUUCEWRRSA-N 0 3 396.513 0.688 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCNC(=O)CC2CCCC2)CC1 ZINC000332970151 1197578713 /nfs/dbraw/zinc/57/87/13/1197578713.db2.gz WOJKHEGGUIZUPJ-KRWDZBQOSA-N 0 3 393.532 0.631 20 0 GCADHN C[C@@H]1C[C@H](Nc2nc(N[C@@H]3CCO[C@@H](C)C3)nc(N3CCOCC3)n2)CCO1 ZINC000536722682 1197582213 /nfs/dbraw/zinc/58/22/13/1197582213.db2.gz KXWXMWZALMHAKF-QKPAOTATSA-N 0 3 392.504 0.511 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc4ncccn4n2)C3)C1 ZINC000999634386 1198959765 /nfs/dbraw/zinc/95/97/65/1198959765.db2.gz OVDMOEWOQXMSSE-AIANPOQGSA-N 0 3 382.468 0.933 20 0 GCADHN Cn1ncc2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3N4C(=O)CN3CCCC3)cnc21 ZINC000999749525 1198971542 /nfs/dbraw/zinc/97/15/42/1198971542.db2.gz AVFLIMXAVTYUMA-IKGGRYGDSA-N 0 3 382.468 0.926 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1CC(N)=O)C2)N(C)C ZINC000999788171 1198978135 /nfs/dbraw/zinc/97/81/35/1198978135.db2.gz QWZLUGHWAWLFIH-UNQGMJICSA-N 0 3 376.457 0.509 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)CC1 ZINC001272838074 1199024080 /nfs/dbraw/zinc/02/40/80/1199024080.db2.gz YDNXGKRPHWKXSJ-HNNXBMFYSA-N 0 3 377.407 0.989 20 0 GCADHN COc1cccc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2)c1 ZINC000672041916 1199028949 /nfs/dbraw/zinc/02/89/49/1199028949.db2.gz VYMLOEHLQDLOOS-DLBZAZTESA-N 0 3 386.496 0.991 20 0 GCADHN CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@]2(CCN(Cc3scnc3C)C2)C1 ZINC001272856664 1199031997 /nfs/dbraw/zinc/03/19/97/1199031997.db2.gz ZVEKWVIJYVSBTN-YJBOKZPZSA-N 0 3 380.514 0.763 20 0 GCADHN C[C@@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000542772802 1199035236 /nfs/dbraw/zinc/03/52/36/1199035236.db2.gz GZOVSAIMLQVYJR-GFCCVEGCSA-N 0 3 399.430 0.800 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC[C@H](O)COC)cc2)CC1 ZINC000765883228 1199051157 /nfs/dbraw/zinc/05/11/57/1199051157.db2.gz WUWWIMMFNCBYEB-KRWDZBQOSA-N 0 3 378.473 0.281 20 0 GCADHN COC(=O)[C@@H](C)Oc1ccccc1CNCCC(=O)N1CCN(C(C)=O)CC1 ZINC000921708667 1199061150 /nfs/dbraw/zinc/06/11/50/1199061150.db2.gz ISWAEQWFDVKCRC-OAHLLOKOSA-N 0 3 391.468 0.797 20 0 GCADHN CCc1csc(CC2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)n1 ZINC000656024546 1199062498 /nfs/dbraw/zinc/06/24/98/1199062498.db2.gz RGYGEGIKSDSKEH-HNNXBMFYSA-N 0 3 380.514 0.591 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1(OCCO)CCOCC1 ZINC000282308223 1199083531 /nfs/dbraw/zinc/08/35/31/1199083531.db2.gz ISTBUTGYIZSADF-UHFFFAOYSA-N 0 3 393.484 0.669 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c(C)c1 ZINC000656068405 1199086395 /nfs/dbraw/zinc/08/63/95/1199086395.db2.gz XQRSFUVWSCLFLZ-KRWDZBQOSA-N 0 3 376.501 0.926 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCc2ccc(OCC(N)=O)c(OC)c2)C1 ZINC000265738861 1199097333 /nfs/dbraw/zinc/09/73/33/1199097333.db2.gz MKQTWDUOXZNPTF-AWEZNQCLSA-N 0 3 380.445 0.079 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000465853546 1199101280 /nfs/dbraw/zinc/10/12/80/1199101280.db2.gz ZPXMRPLHBHBKFK-HNAYVOBHSA-N 0 3 379.505 0.241 20 0 GCADHN CC[C@H](CNC(=O)CCC(=O)NCCNC(C)=O)N1CCc2ccccc2C1 ZINC000110051316 1199117579 /nfs/dbraw/zinc/11/75/79/1199117579.db2.gz MZSVSYMYMRHQQO-LJQANCHMSA-N 0 3 388.512 0.972 20 0 GCADHN Cn1nc(C2CCOCC2)cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000627303280 1199119433 /nfs/dbraw/zinc/11/94/33/1199119433.db2.gz MQNSTYRJJRQSEF-OAHLLOKOSA-N 0 3 375.473 0.949 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)CC1=O ZINC000265751843 1199121207 /nfs/dbraw/zinc/12/12/07/1199121207.db2.gz AFHMKSKWYDBKTF-QAPCUYQASA-N 0 3 398.467 0.616 20 0 GCADHN CC(C)Oc1ncccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000265752095 1199122035 /nfs/dbraw/zinc/12/20/35/1199122035.db2.gz BVROUUCIOJRPDR-HNNXBMFYSA-N 0 3 377.489 0.807 20 0 GCADHN C[C@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)N(C)Cc1ccccc1 ZINC000110350597 1199127652 /nfs/dbraw/zinc/12/76/52/1199127652.db2.gz CRKVAPKUEOJJAX-CQSZACIVSA-N 0 3 395.463 0.883 20 0 GCADHN COc1cccc(C[C@@H](NC(C)=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000110866043 1199142765 /nfs/dbraw/zinc/14/27/65/1199142765.db2.gz MCPYBDDLVVQZOJ-HXUWFJFHSA-N 0 3 390.528 0.838 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCC(=O)NC(=O)NC1CCCC1 ZINC001485925843 1199144355 /nfs/dbraw/zinc/14/43/55/1199144355.db2.gz PSDRFHVGTYAWSO-MIGQKNRLSA-N 0 3 380.489 0.759 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)N3CCCC3)CC2)n1 ZINC000672158969 1199146357 /nfs/dbraw/zinc/14/63/57/1199146357.db2.gz BLVFEUSZNOJYRF-UHFFFAOYSA-N 0 3 378.481 0.434 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CCC(C(=O)NCCOC)CC2)n1 ZINC000672159206 1199148670 /nfs/dbraw/zinc/14/86/70/1199148670.db2.gz DBVCPSMVTWUDIR-UHFFFAOYSA-N 0 3 379.509 0.915 20 0 GCADHN COCCOCCN1CC[C@]2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCC[C@H]12 ZINC001486146805 1199153931 /nfs/dbraw/zinc/15/39/31/1199153931.db2.gz LMGUULCOFWCEBI-KVIJGQROSA-N 0 3 382.501 0.814 20 0 GCADHN COCCOCCN1CC[C@]2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCC[C@@H]12 ZINC001486146806 1199154026 /nfs/dbraw/zinc/15/40/26/1199154026.db2.gz LMGUULCOFWCEBI-WRMBXCAGSA-N 0 3 382.501 0.814 20 0 GCADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)c1 ZINC000265771671 1199155970 /nfs/dbraw/zinc/15/59/70/1199155970.db2.gz JDAWZXNXVMONMC-UHFFFAOYSA-N 0 3 390.484 0.484 20 0 GCADHN CCS(=O)(=O)NCCN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1(C)C ZINC001486238919 1199156633 /nfs/dbraw/zinc/15/66/33/1199156633.db2.gz RZAGOHAROVXMFH-TWHJKIGZSA-N 0 3 385.530 0.176 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000465905485 1199161521 /nfs/dbraw/zinc/16/15/21/1199161521.db2.gz XBECOCSYIKDJPR-SJORKVTESA-N 0 3 380.493 0.416 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)n1 ZINC000672226097 1199163024 /nfs/dbraw/zinc/16/30/24/1199163024.db2.gz ZCRFTUWMWRZDIS-DGCLKSJQSA-N 0 3 389.464 0.436 20 0 GCADHN CN(Cc1ccc2c(c1)nnn2C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001486343041 1199163764 /nfs/dbraw/zinc/16/37/64/1199163764.db2.gz KNRJQCHQQGJOAY-ODSSTKGDSA-N 0 3 399.495 0.643 20 0 GCADHN COCCN1CC[C@H](NC(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)C1 ZINC000265776042 1199166803 /nfs/dbraw/zinc/16/68/03/1199166803.db2.gz UJZYSMDYQZORNQ-INIZCTEOSA-N 0 3 396.513 0.764 20 0 GCADHN O=C(CCCN1CCN(c2ccccc2)CC1)NCCC(=O)N1CCOCC1 ZINC000111549720 1199169461 /nfs/dbraw/zinc/16/94/61/1199169461.db2.gz XMEWQMFYVNBUNP-UHFFFAOYSA-N 0 3 388.512 0.954 20 0 GCADHN CC1(C)[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)[C@H]2CCCO[C@H]21 ZINC000465921407 1199176745 /nfs/dbraw/zinc/17/67/45/1199176745.db2.gz CWGLBKOPWSUXBV-KZNAEPCWSA-N 0 3 382.549 0.879 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC001128176496 1199178757 /nfs/dbraw/zinc/17/87/57/1199178757.db2.gz XBVJARMSFPMRFO-ZDUSSCGKSA-N 0 3 375.477 0.144 20 0 GCADHN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000465924649 1199182915 /nfs/dbraw/zinc/18/29/15/1199182915.db2.gz HPODZRBQFCPBNG-SFHVURJKSA-N 0 3 397.564 0.419 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000656358154 1199188963 /nfs/dbraw/zinc/18/89/63/1199188963.db2.gz IXRGPACWSODLLH-OALUTQOASA-N 0 3 385.512 0.859 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@@]2(CCCOC2)O1 ZINC000656357723 1199188983 /nfs/dbraw/zinc/18/89/83/1199188983.db2.gz LJRDHRFAHNMHGW-WOCWXWTJSA-N 0 3 379.501 0.916 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000656358157 1199189175 /nfs/dbraw/zinc/18/91/75/1199189175.db2.gz IXRGPACWSODLLH-RBUKOAKNSA-N 0 3 385.512 0.859 20 0 GCADHN O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NC[C@H](O)Cn1ccnn1 ZINC001626064425 1199193692 /nfs/dbraw/zinc/19/36/92/1199193692.db2.gz UTRHHHPAGHYHSZ-KRWDZBQOSA-N 0 3 392.891 0.621 20 0 GCADHN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672305336 1199196438 /nfs/dbraw/zinc/19/64/38/1199196438.db2.gz LFAMRGPJBVISCU-IAGOWNOFSA-N 0 3 392.544 0.988 20 0 GCADHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000465937264 1199196748 /nfs/dbraw/zinc/19/67/48/1199196748.db2.gz RNFSPDBNJLPBSI-INIZCTEOSA-N 0 3 394.564 0.657 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672305810 1199198202 /nfs/dbraw/zinc/19/82/02/1199198202.db2.gz DXKYSHRXZHLKKX-QGZVFWFLSA-N 0 3 386.500 0.343 20 0 GCADHN CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000672308536 1199198632 /nfs/dbraw/zinc/19/86/32/1199198632.db2.gz RZEZZTQOOWFKOV-OCCSQVGLSA-N 0 3 379.461 0.726 20 0 GCADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672307360 1199198746 /nfs/dbraw/zinc/19/87/46/1199198746.db2.gz VKFZDYQVNRJWOZ-HZPDHXFCSA-N 0 3 399.495 0.081 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672308675 1199199452 /nfs/dbraw/zinc/19/94/52/1199199452.db2.gz XPFNPZNTOSNJTL-KRWDZBQOSA-N 0 3 380.533 0.404 20 0 GCADHN COc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)c1 ZINC000672307344 1199199591 /nfs/dbraw/zinc/19/95/91/1199199591.db2.gz VFMVUKSJUWAXFU-KRWDZBQOSA-N 0 3 386.496 0.944 20 0 GCADHN CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672306417 1199200153 /nfs/dbraw/zinc/20/01/53/1199200153.db2.gz HSNRYGDYYYDEDT-OAHLLOKOSA-N 0 3 379.505 0.239 20 0 GCADHN COC[C@H]1CCN(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000265788846 1199200305 /nfs/dbraw/zinc/20/03/05/1199200305.db2.gz LXCURCKGDWMSJK-INIZCTEOSA-N 0 3 392.475 0.877 20 0 GCADHN O=C(NCc1cccnc1OCC(F)F)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672310953 1199201900 /nfs/dbraw/zinc/20/19/00/1199201900.db2.gz PAZILFVNVYAHIH-AWEZNQCLSA-N 0 3 382.411 0.942 20 0 GCADHN CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672310773 1199203405 /nfs/dbraw/zinc/20/34/05/1199203405.db2.gz HVGCNAAGAQVGMJ-DLBZAZTESA-N 0 3 378.517 0.742 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)NCCOC[C@@H]2CCOC2)Cc2ccccc2C1 ZINC000672370909 1199222842 /nfs/dbraw/zinc/22/28/42/1199222842.db2.gz YRCJKYGEBQWACX-MRXNPFEDSA-N 0 3 389.496 0.371 20 0 GCADHN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CC2 ZINC000672393438 1199226288 /nfs/dbraw/zinc/22/62/88/1199226288.db2.gz CIPLFCRTGPUTOZ-RBUKOAKNSA-N 0 3 398.507 0.864 20 0 GCADHN COC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000265799433 1199235835 /nfs/dbraw/zinc/23/58/35/1199235835.db2.gz NWXADJQHTXJRJY-INIZCTEOSA-N 0 3 381.498 0.488 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459850 1199237535 /nfs/dbraw/zinc/23/75/35/1199237535.db2.gz WEKKHARZBBUEHX-HUUCEWRRSA-N 0 3 387.484 0.081 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)c1cnn(C)c1)C(=O)c1cnn(C)c1 ZINC000672467124 1199241455 /nfs/dbraw/zinc/24/14/55/1199241455.db2.gz UDNMCABZTFZNKU-UHFFFAOYSA-N 0 3 387.488 0.464 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000672625790 1199283572 /nfs/dbraw/zinc/28/35/72/1199283572.db2.gz XFKPZBNBGKOACX-RYUDHWBXSA-N 0 3 378.395 0.256 20 0 GCADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1CCn2ncnc2C1 ZINC000672635240 1199287144 /nfs/dbraw/zinc/28/71/44/1199287144.db2.gz KCHHGUUTMCTHDH-UHFFFAOYSA-N 0 3 392.529 0.488 20 0 GCADHN CNC(=O)CCN(C)C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000672635568 1199287857 /nfs/dbraw/zinc/28/78/57/1199287857.db2.gz KBOWLJSUFHRMFP-UHFFFAOYSA-N 0 3 384.546 0.449 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000672697213 1199318233 /nfs/dbraw/zinc/31/82/33/1199318233.db2.gz PYPKFFIPTXQCSA-QGZVFWFLSA-N 0 3 391.516 0.926 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 ZINC000672697359 1199318981 /nfs/dbraw/zinc/31/89/81/1199318981.db2.gz SYMZVTDMVUVIPM-HNNXBMFYSA-N 0 3 382.505 0.121 20 0 GCADHN CN1CCN(c2ccc(CNC(=O)N3CCN(CCO)C(C)(C)C3)cn2)CC1 ZINC000672706206 1199320485 /nfs/dbraw/zinc/32/04/85/1199320485.db2.gz ASRVDKDNSAYRHM-UHFFFAOYSA-N 0 3 390.532 0.432 20 0 GCADHN Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000672714724 1199322776 /nfs/dbraw/zinc/32/27/76/1199322776.db2.gz MKWLRUKKDFVKPI-IUODEOHRSA-N 0 3 391.472 0.234 20 0 GCADHN Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000672714725 1199323045 /nfs/dbraw/zinc/32/30/45/1199323045.db2.gz MKWLRUKKDFVKPI-SWLSCSKDSA-N 0 3 391.472 0.234 20 0 GCADHN CC(C)N1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001002937636 1199346822 /nfs/dbraw/zinc/34/68/22/1199346822.db2.gz LRXFALQRIQFZAL-WCVJEAGWSA-N 0 3 375.477 0.184 20 0 GCADHN CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000672854549 1199352029 /nfs/dbraw/zinc/35/20/29/1199352029.db2.gz QISANEJBKMUVIZ-SFHVURJKSA-N 0 3 387.528 0.432 20 0 GCADHN CC(C)C[C@@H]1C[C@@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC(=O)N1 ZINC000508908794 1199361361 /nfs/dbraw/zinc/36/13/61/1199361361.db2.gz TYAWMMIGDXEGIH-ZACQAIPSSA-N 0 3 380.533 0.986 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCN1C ZINC001003019625 1199389437 /nfs/dbraw/zinc/38/94/37/1199389437.db2.gz JYCYXIKNECUNKR-APIJFGDWSA-N 0 3 375.477 0.139 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nnnc1C(C)C)C2)N(C)C ZINC001003019873 1199389945 /nfs/dbraw/zinc/38/99/45/1199389945.db2.gz PQFPOKNKFOLESM-TUVASFSCSA-N 0 3 377.493 0.385 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C3)CC1 ZINC001003107114 1199416038 /nfs/dbraw/zinc/41/60/38/1199416038.db2.gz LOQPKEDJVWHVIS-ZKXLYKBJSA-N 0 3 390.528 0.881 20 0 GCADHN COC1(CO)CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000673095548 1199416484 /nfs/dbraw/zinc/41/64/84/1199416484.db2.gz XVLZPKYESGVHAL-UHFFFAOYSA-N 0 3 389.496 0.202 20 0 GCADHN COC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1C ZINC000066577566 1199422761 /nfs/dbraw/zinc/42/27/61/1199422761.db2.gz KSBWHHSVQVGFTH-AWEZNQCLSA-N 0 3 397.497 0.647 20 0 GCADHN COC1CCN(CCNC(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000673123612 1199431315 /nfs/dbraw/zinc/43/13/15/1199431315.db2.gz ODTAHCGWGSCGPB-CRAIPNDOSA-N 0 3 392.504 0.492 20 0 GCADHN CCN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(N(C)C)CCC2)C1 ZINC001003193717 1199450112 /nfs/dbraw/zinc/45/01/12/1199450112.db2.gz NFLZKDODHHMXTC-NCOADZHNSA-N 0 3 378.517 0.440 20 0 GCADHN COc1cccc(C[C@H](O)C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000682376859 1199451427 /nfs/dbraw/zinc/45/14/27/1199451427.db2.gz KKMNPYMMKLNVAR-ROUUACIJSA-N 0 3 375.469 0.539 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000673148789 1199456039 /nfs/dbraw/zinc/45/60/39/1199456039.db2.gz DESRXKXUOKDKCA-QGZVFWFLSA-N 0 3 399.438 0.949 20 0 GCADHN CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@H](C1)O2 ZINC001272982229 1199458352 /nfs/dbraw/zinc/45/83/52/1199458352.db2.gz PAPZREYZDYAJLM-NCOADZHNSA-N 0 3 387.546 0.806 20 0 GCADHN COC1CCN(CCNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000673170947 1199462931 /nfs/dbraw/zinc/46/29/31/1199462931.db2.gz WJQDIWQBDWFSJQ-CQSZACIVSA-N 0 3 382.427 0.660 20 0 GCADHN O=C(COCC(=O)N1CCN(CC2CC2)CC1)N1CCN(CC2CC2)CC1 ZINC000079004051 1199464629 /nfs/dbraw/zinc/46/46/29/1199464629.db2.gz JJHMXTLTXLGSHA-UHFFFAOYSA-N 0 3 378.517 0.111 20 0 GCADHN Cc1ncsc1CN1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001272982553 1199464794 /nfs/dbraw/zinc/46/47/94/1199464794.db2.gz WGSJDUKLORYGTJ-PBHICJAKSA-N 0 3 398.554 0.958 20 0 GCADHN O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001272982723 1199466262 /nfs/dbraw/zinc/46/62/62/1199466262.db2.gz YQJOFPCUODGTRB-SJLPKXTDSA-N 0 3 380.514 0.911 20 0 GCADHN CC(C)[C@H](CNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1)N1CCOCC1 ZINC000079100262 1199477297 /nfs/dbraw/zinc/47/72/97/1199477297.db2.gz CLLASLXTAYHNNR-MOPGFXCFSA-N 0 3 383.581 0.914 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCNC2=O)C3)CC1 ZINC001003291674 1199480323 /nfs/dbraw/zinc/48/03/23/1199480323.db2.gz PFXWTYNIZNQDAH-VQHPVUNQSA-N 0 3 376.501 0.493 20 0 GCADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1=O ZINC001003351244 1199506441 /nfs/dbraw/zinc/50/64/41/1199506441.db2.gz GIKXECAUHHQZDJ-NCOADZHNSA-N 0 3 376.501 0.731 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000067283454 1199507231 /nfs/dbraw/zinc/50/72/31/1199507231.db2.gz FQXRHSVCPZQQJW-OAHLLOKOSA-N 0 3 394.497 0.618 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000673303855 1199528977 /nfs/dbraw/zinc/52/89/77/1199528977.db2.gz LBSUFDOEQXADQS-IRXDYDNUSA-N 0 3 389.500 0.346 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCNC2=O)C3)C1 ZINC001003422038 1199532273 /nfs/dbraw/zinc/53/22/73/1199532273.db2.gz PIGPBDNVDDGUFM-FPCVCCKLSA-N 0 3 376.501 0.493 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)C1=CCN(C)CC1 ZINC000673359061 1199570736 /nfs/dbraw/zinc/57/07/36/1199570736.db2.gz CZUGATBFAXQGJP-PBHICJAKSA-N 0 3 376.501 0.660 20 0 GCADHN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000673354580 1199572740 /nfs/dbraw/zinc/57/27/40/1199572740.db2.gz NQVMFKOOTWOSQS-IRXDYDNUSA-N 0 3 376.501 0.590 20 0 GCADHN CC1(C)CCN(CC(=O)N2CC(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC001003634583 1199608544 /nfs/dbraw/zinc/60/85/44/1199608544.db2.gz UNWNOTUUQZGJMT-XYJFISCASA-N 0 3 379.501 0.344 20 0 GCADHN COCc1nn(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001003657136 1199615432 /nfs/dbraw/zinc/61/54/32/1199615432.db2.gz HTEVMHJANXHEHX-UNEWFSDZSA-N 0 3 375.473 0.524 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)C2CCC2)O1 ZINC001003707742 1199642465 /nfs/dbraw/zinc/64/24/65/1199642465.db2.gz JDNFRXRBFVPBIN-FXXCCUJSSA-N 0 3 378.517 0.438 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000068781173 1199645349 /nfs/dbraw/zinc/64/53/49/1199645349.db2.gz AQUJQBJTJORLMG-UHFFFAOYSA-N 0 3 391.516 0.790 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000068781173 1199645353 /nfs/dbraw/zinc/64/53/53/1199645353.db2.gz AQUJQBJTJORLMG-UHFFFAOYSA-N 0 3 391.516 0.790 20 0 GCADHN CCN1CCOC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(N(C)C)CCC1 ZINC001003799954 1199671203 /nfs/dbraw/zinc/67/12/03/1199671203.db2.gz OPPKGWMFPAPIAX-NCOADZHNSA-N 0 3 378.517 0.440 20 0 GCADHN COC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000265850390 1199677941 /nfs/dbraw/zinc/67/79/41/1199677941.db2.gz YNOJYCXFOISWML-HNNXBMFYSA-N 0 3 399.488 0.627 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)nnn3C)C2 ZINC001003855442 1199688704 /nfs/dbraw/zinc/68/87/04/1199688704.db2.gz JBFZEFYGRVPFSH-KJWYOANISA-N 0 3 382.468 0.924 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000673471372 1199688889 /nfs/dbraw/zinc/68/88/89/1199688889.db2.gz MLLFVBQMXNCSFM-SJORKVTESA-N 0 3 396.532 0.319 20 0 GCADHN CS(=O)(=O)NCCN(C(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000670395051 1199693718 /nfs/dbraw/zinc/69/37/18/1199693718.db2.gz HEWTWXKBNFWHMD-UHFFFAOYSA-N 0 3 394.541 0.739 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1=O ZINC000499748891 1199694777 /nfs/dbraw/zinc/69/47/77/1199694777.db2.gz FNSIWJUXJAGKCN-DOTOQJQBSA-N 0 3 390.484 0.970 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C2)C1CCC1 ZINC001003898772 1199701396 /nfs/dbraw/zinc/70/13/96/1199701396.db2.gz MTUVHSQCBIUZPP-SVGFKBNWSA-N 0 3 376.501 0.587 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C3)C1 ZINC001003906849 1199705487 /nfs/dbraw/zinc/70/54/87/1199705487.db2.gz YOSOYNRBOCDUIK-FPCVCCKLSA-N 0 3 376.501 0.493 20 0 GCADHN CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCCC1=O)C2)C1CC1 ZINC001003940407 1199716632 /nfs/dbraw/zinc/71/66/32/1199716632.db2.gz JBIIUUPHXBTPLC-JEWRLFTDSA-N 0 3 376.501 0.587 20 0 GCADHN C[C@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCCC1=O)C2 ZINC001003941953 1199717715 /nfs/dbraw/zinc/71/77/15/1199717715.db2.gz YJECHNGWJOOPRK-HZMVEIRTSA-N 0 3 376.501 0.731 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CN1C1CC1 ZINC000130212284 1199721972 /nfs/dbraw/zinc/72/19/72/1199721972.db2.gz JJPGTENISJHVKO-DLBZAZTESA-N 0 3 377.533 0.951 20 0 GCADHN CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673516773 1199726136 /nfs/dbraw/zinc/72/61/36/1199726136.db2.gz SMLLETPDEKNAJF-HOTGVXAUSA-N 0 3 381.498 0.195 20 0 GCADHN CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673516799 1199726288 /nfs/dbraw/zinc/72/62/88/1199726288.db2.gz XTACZTQQNMZWJK-HOTGVXAUSA-N 0 3 381.498 0.195 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673517497 1199727175 /nfs/dbraw/zinc/72/71/75/1199727175.db2.gz UTTLUTRYWZFDQE-FGTMMUONSA-N 0 3 388.447 0.572 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](N3CC[C@H](O)C3)C1)C2=O ZINC000673517748 1199727193 /nfs/dbraw/zinc/72/71/93/1199727193.db2.gz OCOYQGUODVVNNL-SIRSKZSMSA-N 0 3 392.500 0.545 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673517499 1199727310 /nfs/dbraw/zinc/72/73/10/1199727310.db2.gz UTTLUTRYWZFDQE-OKZBNKHCSA-N 0 3 388.447 0.572 20 0 GCADHN O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673513477 1199728012 /nfs/dbraw/zinc/72/80/12/1199728012.db2.gz QCEWXCXDIQAPEI-CVEARBPZSA-N 0 3 379.482 0.408 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000673521059 1199728375 /nfs/dbraw/zinc/72/83/75/1199728375.db2.gz JSZQIBSWXNQVBL-GFCCVEGCSA-N 0 3 378.498 0.766 20 0 GCADHN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN(C)C)cc1 ZINC000673521353 1199728464 /nfs/dbraw/zinc/72/84/64/1199728464.db2.gz PAPNPPGSQUBZKA-HOCLYGCPSA-N 0 3 383.514 0.902 20 0 GCADHN COc1ccc(CCN2C[C@H](C(=O)N[C@@H](CO)CN(C)C)CC2=O)cc1OC ZINC000673523923 1199731318 /nfs/dbraw/zinc/73/13/18/1199731318.db2.gz XFUFRBKGHGIICE-HZPDHXFCSA-N 0 3 393.484 0.134 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](CO)CN(C)C)cc1 ZINC000673522145 1199733559 /nfs/dbraw/zinc/73/35/59/1199733559.db2.gz DFZHKYGOGUIDBB-MRXNPFEDSA-N 0 3 385.530 0.688 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000673529952 1199735745 /nfs/dbraw/zinc/73/57/45/1199735745.db2.gz 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NC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001004039486 1199758624 /nfs/dbraw/zinc/75/86/24/1199758624.db2.gz XRMUZAMXBWQTAF-JJXSEGSLSA-N 0 3 377.489 0.121 20 0 GCADHN CC(=O)Nc1cccc(OCCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000265857589 1199760067 /nfs/dbraw/zinc/76/00/67/1199760067.db2.gz WARKWDHGMFYQBL-HNNXBMFYSA-N 0 3 376.457 0.550 20 0 GCADHN COc1coc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCN2C)cc1=O ZINC001004104601 1199775144 /nfs/dbraw/zinc/77/51/44/1199775144.db2.gz WDGAVSYZCCYNLT-YIYPIFLZSA-N 0 3 375.425 0.604 20 0 GCADHN O=C(CN1CCCS1(=O)=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000123383484 1199781534 /nfs/dbraw/zinc/78/15/34/1199781534.db2.gz SJIUXIODIMXOJR-UHFFFAOYSA-N 0 3 394.541 0.346 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@](C)(O)[C@@H](C)c2ccccc2)CC1=O ZINC000673549540 1199781565 /nfs/dbraw/zinc/78/15/65/1199781565.db2.gz MEGKWTZMBKKTBG-YRISNDGFSA-N 0 3 391.512 0.836 20 0 GCADHN CC(C)[C@H]1CN(C)CCN1C(=O)COCC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000153988305 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Cc1nonc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(C)CC1 ZINC001005746213 1200448481 /nfs/dbraw/zinc/44/84/81/1200448481.db2.gz DLYZETIKVPAVCN-OIISXLGYSA-N 0 3 375.473 0.901 20 0 GCADHN CN(C)S(=O)(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCN3C3CCCCC3)[C@@H]2C1 ZINC001273141837 1200457341 /nfs/dbraw/zinc/45/73/41/1200457341.db2.gz UNXKSGMMDOJTHN-BHYGNILZSA-N 0 3 384.546 0.733 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(CCCCCF)C[C@@H]2n2ccnn2)O1 ZINC001129064967 1200459410 /nfs/dbraw/zinc/45/94/10/1200459410.db2.gz OVODVIPLQQOZOG-WCXIOVBPSA-N 0 3 382.484 0.479 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000675831030 1200463129 /nfs/dbraw/zinc/46/31/29/1200463129.db2.gz BEYSJJSQDSOIMA-OAHLLOKOSA-N 0 3 387.440 0.788 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC2(CCN([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035231887 1200473822 /nfs/dbraw/zinc/47/38/22/1200473822.db2.gz WNZJLGBZHZFVSA-FPCVCCKLSA-N 0 3 375.469 0.674 20 0 GCADHN 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/nfs/dbraw/zinc/62/99/59/1200629959.db2.gz WSAUFFHYIBEIFR-UHFFFAOYSA-N 0 3 388.447 1.282 20 0 GCADHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C[C@@H](C)C1 ZINC000556489201 1200630161 /nfs/dbraw/zinc/63/01/61/1200630161.db2.gz NHKBEPGTKXOTHE-LZLYRXPVSA-N 0 3 396.495 1.454 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1)CN1CCN(C)CC1 ZINC000605431051 1200656110 /nfs/dbraw/zinc/65/61/10/1200656110.db2.gz HJIHQQHQGPQTPP-GFCCVEGCSA-N 0 3 382.534 0.774 20 0 GCADHN COC(=O)c1ccsc1N1CC[C@@H](Sc2nnnn2CCN(C)C)C1=O ZINC000466643790 1200663044 /nfs/dbraw/zinc/66/30/44/1200663044.db2.gz VVIMEEWVLHTHLJ-LLVKDONJSA-N 0 3 396.498 0.980 20 0 GCADHN CN1CC[C@](O)(CNC(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000460247489 1200687336 /nfs/dbraw/zinc/68/73/36/1200687336.db2.gz OGZAOQGCCJGACV-HNNXBMFYSA-N 0 3 375.395 1.268 20 0 GCADHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@@H](C)C1 ZINC000560146990 1200699222 /nfs/dbraw/zinc/69/92/22/1200699222.db2.gz GPBWWPVLWJXYRR-AVGNSLFASA-N 0 3 387.406 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ZINC000429340289 1200843183 /nfs/dbraw/zinc/84/31/83/1200843183.db2.gz HQHFVOCDSPVMLD-ZWKOTPCHSA-N 0 3 397.541 0.968 20 0 GCADHN CN(C)S(=O)(=O)N1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000671677044 1200852147 /nfs/dbraw/zinc/85/21/47/1200852147.db2.gz QQXQINKYFUHOHV-UHFFFAOYSA-N 0 3 395.573 0.623 20 0 GCADHN O=C(Nc1ccn(CC(F)F)n1)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000464117073 1200871912 /nfs/dbraw/zinc/87/19/12/1200871912.db2.gz LSXSYXMMGRWORB-CQSZACIVSA-N 0 3 393.394 1.292 20 0 GCADHN COCCn1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000425814309 1200886442 /nfs/dbraw/zinc/88/64/42/1200886442.db2.gz QSVNGWHYYUPFAB-ZWKOTPCHSA-N 0 3 397.479 1.201 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000581578116 1200901571 /nfs/dbraw/zinc/90/15/71/1200901571.db2.gz LOQAVOPWAZOBGY-AWEZNQCLSA-N 0 3 376.505 0.626 20 0 GCADHN COCCn1cc(N2C[C@H](C(=O)N3[C@@H]4CC[C@H]3CN(C)CC4)CC2=O)cn1 ZINC000923265771 1200914984 /nfs/dbraw/zinc/91/49/84/1200914984.db2.gz LYLFHZKOXLEQPM-OAGGEKHMSA-N 0 3 375.473 0.578 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000923270920 1200916860 /nfs/dbraw/zinc/91/68/60/1200916860.db2.gz AJOGVOBKHGWPFA-IYOUNJFTSA-N 0 3 378.473 0.297 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000923282216 1200923888 /nfs/dbraw/zinc/92/38/88/1200923888.db2.gz SVFSPQMCEMIVSR-LSDHHAIUSA-N 0 3 380.489 0.761 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000923287146 1200927365 /nfs/dbraw/zinc/92/73/65/1200927365.db2.gz RRAXDRUMWBTRGK-KSZLIROESA-N 0 3 378.517 0.395 20 0 GCADHN COc1ccc(-c2nnc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)s2)cc1 ZINC000564668342 1200957383 /nfs/dbraw/zinc/95/73/83/1200957383.db2.gz RYYZIMXACHKFNH-AAEUAGOBSA-N 0 3 388.453 0.989 20 0 GCADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1(C)C ZINC001487260880 1200958677 /nfs/dbraw/zinc/95/86/77/1200958677.db2.gz FBACXAMDUXVKLL-LISAXSMJSA-N 0 3 381.517 0.731 20 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Cc1cccc(CCNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000286306220 1201400021 /nfs/dbraw/zinc/40/00/21/1201400021.db2.gz GQPCAUFPLZPVKP-QGZVFWFLSA-N 0 3 389.500 0.108 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)CCS(C)(=O)=O)cc2)CC1 ZINC000728144317 1201400863 /nfs/dbraw/zinc/40/08/63/1201400863.db2.gz YALTUXIQRBZZNP-UHFFFAOYSA-N 0 3 396.513 0.270 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3CCN(CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084351247 1201408645 /nfs/dbraw/zinc/40/86/45/1201408645.db2.gz CSAVWUQBYPZNJL-QBPKDAKJSA-N 0 3 376.501 0.446 20 0 GCADHN COc1ccc(CCN2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)cc1 ZINC001084659375 1201425012 /nfs/dbraw/zinc/42/50/12/1201425012.db2.gz COPFDGVLESWTST-OQIJWPOYSA-N 0 3 387.480 0.803 20 0 GCADHN CS(=O)(=O)c1ccc(OCCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000730067997 1201433631 /nfs/dbraw/zinc/43/36/31/1201433631.db2.gz ZGHZKRACRZEQQZ-GOEBONIOSA-N 0 3 397.497 0.631 20 0 GCADHN CC(=O)NCSCCC(=O)N1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001273232444 1201461433 /nfs/dbraw/zinc/46/14/33/1201461433.db2.gz ODBADWRHTHNBEO-SFHVURJKSA-N 0 3 384.546 0.749 20 0 GCADHN NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000730773968 1201463854 /nfs/dbraw/zinc/46/38/54/1201463854.db2.gz OCFJUNNNSBGIQY-RDJZCZTQSA-N 0 3 388.468 0.900 20 0 GCADHN COCCN1CC[C@H](NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000730841674 1201465338 /nfs/dbraw/zinc/46/53/38/1201465338.db2.gz NQUPTNJWGBYOSO-ZGUWOUCSSA-N 0 3 381.498 0.804 20 0 GCADHN COCCN1CC[C@@H](NC(=O)Nc2ccccc2CN2C(=O)CNC2=O)C1 ZINC000730818631 1201465467 /nfs/dbraw/zinc/46/54/67/1201465467.db2.gz POTXLLJBUAUMLZ-CQSZACIVSA-N 0 3 375.429 0.581 20 0 GCADHN COCCN1CC[C@H](NC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)C1 ZINC000730841369 1201465529 /nfs/dbraw/zinc/46/55/29/1201465529.db2.gz JVEORNBSRQKTAQ-AWEZNQCLSA-N 0 3 375.473 0.648 20 0 GCADHN COc1cc(C=O)ccc1OCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000731631350 1201492125 /nfs/dbraw/zinc/49/21/25/1201492125.db2.gz MAZCQFYPLYAISL-UHFFFAOYSA-N 0 3 389.452 0.653 20 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ZINC000735578225 1201692384 /nfs/dbraw/zinc/69/23/84/1201692384.db2.gz WWXVZQPWOHGLEB-CVEARBPZSA-N 0 3 382.486 0.721 20 0 GCADHN COc1cc(NC(=O)C(=O)NCCN(C)C2CC2)c(C(=O)N(C)C)cc1OC ZINC000735587714 1201693232 /nfs/dbraw/zinc/69/32/32/1201693232.db2.gz NKUBEHWRJJWDTA-UHFFFAOYSA-N 0 3 392.456 0.555 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000735587904 1201693497 /nfs/dbraw/zinc/69/34/97/1201693497.db2.gz PDAVQEUDRUZQNH-KGLIPLIRSA-N 0 3 387.415 0.929 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000735588186 1201693558 /nfs/dbraw/zinc/69/35/58/1201693558.db2.gz RMXMBSZOPYUJEL-DLBZAZTESA-N 0 3 386.452 0.731 20 0 GCADHN CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735590053 1201693796 /nfs/dbraw/zinc/69/37/96/1201693796.db2.gz OFGHZFSMEWUFPW-IAGOWNOFSA-N 0 3 388.468 0.235 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000735590061 1201693819 /nfs/dbraw/zinc/69/38/19/1201693819.db2.gz ONIBXURMLHQPJC-CABCVRRESA-N 0 3 375.425 0.766 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000735591200 1201694599 /nfs/dbraw/zinc/69/45/99/1201694599.db2.gz YIDFCPZATZFWOJ-ZWKOTPCHSA-N 0 3 383.452 0.849 20 0 GCADHN COC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735590956 1201694694 /nfs/dbraw/zinc/69/46/94/1201694694.db2.gz VIZFJRDCNJAMFS-GJZGRUSLSA-N 0 3 376.413 0.783 20 0 GCADHN CCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735589650 1201694719 /nfs/dbraw/zinc/69/47/19/1201694719.db2.gz JBXBROHFZDNWDT-HUUCEWRRSA-N 0 3 395.481 0.398 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1NC(C)=O ZINC000735590509 1201694781 /nfs/dbraw/zinc/69/47/81/1201694781.db2.gz RAPDRENJSCIRII-LSDHHAIUSA-N 0 3 390.440 0.572 20 0 GCADHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000735592856 1201695418 /nfs/dbraw/zinc/69/54/18/1201695418.db2.gz GQBYKSDAZRSDCF-ZIAGYGMSSA-N 0 3 395.481 0.316 20 0 GCADHN CC(=O)Nc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1F ZINC000735594094 1201695429 /nfs/dbraw/zinc/69/54/29/1201695429.db2.gz LQMWKMAKEXBFGA-UONOGXRCSA-N 0 3 378.404 0.702 20 0 GCADHN NC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1Cl ZINC000735596319 1201695470 /nfs/dbraw/zinc/69/54/70/1201695470.db2.gz RGVQTWPFMBSMHH-RYUDHWBXSA-N 0 3 380.832 0.357 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000735592154 1201695515 /nfs/dbraw/zinc/69/55/15/1201695515.db2.gz CEXCBQBRNCAPHU-HZPDHXFCSA-N 0 3 387.440 0.134 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CN2CCN(CC3CCOCC3)CC2)CC1 ZINC000736945677 1201718718 /nfs/dbraw/zinc/71/87/18/1201718718.db2.gz IZPIKDVWAHQACJ-UHFFFAOYSA-N 0 3 396.532 0.768 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)N1CCCCC1 ZINC000737138649 1201722010 /nfs/dbraw/zinc/72/20/10/1201722010.db2.gz KQSPNGOXOJRQOP-NSHDSACASA-N 0 3 386.449 0.402 20 0 GCADHN Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000737219241 1201724456 /nfs/dbraw/zinc/72/44/56/1201724456.db2.gz UVJCWUXETCHWAY-GJZGRUSLSA-N 0 3 399.451 0.804 20 0 GCADHN Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000737219244 1201724797 /nfs/dbraw/zinc/72/47/97/1201724797.db2.gz UVJCWUXETCHWAY-LSDHHAIUSA-N 0 3 399.451 0.804 20 0 GCADHN CCOC(=O)CCNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000737236634 1201725096 /nfs/dbraw/zinc/72/50/96/1201725096.db2.gz VQQZYVYEGUYKFX-UHFFFAOYSA-N 0 3 376.457 0.836 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CCS(=O)(=O)C[C@H]3C)cc2)CC1 ZINC000739913931 1201743839 /nfs/dbraw/zinc/74/38/39/1201743839.db2.gz ULBGIZINWRXPND-MRXNPFEDSA-N 0 3 394.541 0.886 20 0 GCADHN CC(C)(O)CN1CCN(Cn2ncc3cn(-c4ccccc4)nc3c2=O)CC1 ZINC000740759278 1201749449 /nfs/dbraw/zinc/74/94/49/1201749449.db2.gz YJMPEEOWFTVSTB-UHFFFAOYSA-N 0 3 382.468 0.928 20 0 GCADHN CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C(=O)C1 ZINC000741208961 1201765386 /nfs/dbraw/zinc/76/53/86/1201765386.db2.gz FGUVLCFTAMQPCB-GJZGRUSLSA-N 0 3 396.488 0.045 20 0 GCADHN C[C@@H]1CN(CCNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CCO1 ZINC000741408114 1201777875 /nfs/dbraw/zinc/77/78/75/1201777875.db2.gz OPWCSMWJAWPHIE-XLIONFOSSA-N 0 3 376.501 0.643 20 0 GCADHN C[C@@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CCN1C(=O)OC(C)(C)C ZINC000742160241 1201791428 /nfs/dbraw/zinc/79/14/28/1201791428.db2.gz YQYHAJSUDKSESK-CQSZACIVSA-N 0 3 395.504 0.901 20 0 GCADHN Cn1ccc(N2CC[C@@H](N[C@H]3C[C@@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001086153642 1201806627 /nfs/dbraw/zinc/80/66/27/1201806627.db2.gz SQUBWBIRJXNLHC-KESYZNALSA-N 0 3 399.495 0.433 20 0 GCADHN CC(C)c1nc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n[nH]1 ZINC001086157232 1201808051 /nfs/dbraw/zinc/80/80/51/1201808051.db2.gz KNFUOMDFIOLCBD-KSXIZUIISA-N 0 3 377.489 0.964 20 0 GCADHN C[C@H]1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCN2CCOCC2)C1 ZINC001006290855 1201817851 /nfs/dbraw/zinc/81/78/51/1201817851.db2.gz YFGADEQNQKZSBK-MLHJIOFPSA-N 0 3 378.517 0.299 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000743979194 1201831622 /nfs/dbraw/zinc/83/16/22/1201831622.db2.gz DKELXUBWGRTWFN-OAHLLOKOSA-N 0 3 388.468 0.698 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000743978413 1201831664 /nfs/dbraw/zinc/83/16/64/1201831664.db2.gz INJPAQVPHIPQQN-OAHLLOKOSA-N 0 3 388.468 0.698 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000743978843 1201831680 /nfs/dbraw/zinc/83/16/80/1201831680.db2.gz PWNHZQFWPRCVNK-CYBMUJFWSA-N 0 3 382.486 0.476 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCOC3CCC3)ccc2oc1=O ZINC000743977332 1201831702 /nfs/dbraw/zinc/83/17/02/1201831702.db2.gz PBHMKCIYZTVAKT-UHFFFAOYSA-N 0 3 390.440 0.780 20 0 GCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCN1CCC[C@H]1C)CC2 ZINC000743979567 1201832046 /nfs/dbraw/zinc/83/20/46/1201832046.db2.gz HKYALWYZGOPQSZ-CYBMUJFWSA-N 0 3 394.497 0.084 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CCC[C@H]2C)c2ccccc2O1 ZINC000743979948 1201832428 /nfs/dbraw/zinc/83/24/28/1201832428.db2.gz JCRSCTIYVIMXEX-CZUORRHYSA-N 0 3 375.425 0.554 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000743980931 1201832848 /nfs/dbraw/zinc/83/28/48/1201832848.db2.gz OMKYJJSGZXETGX-AWEZNQCLSA-N 0 3 386.452 0.875 20 0 GCADHN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NCCN3CCC[C@@H]3C)cc21 ZINC000743981903 1201832942 /nfs/dbraw/zinc/83/29/42/1201832942.db2.gz LZGFPEWPKQEZMX-AWEZNQCLSA-N 0 3 385.468 0.926 20 0 GCADHN CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nc[n-]n2)C1 ZINC001006294834 1201834304 /nfs/dbraw/zinc/83/43/04/1201834304.db2.gz OQJXJTZPFDAICU-SDFXEEBMSA-N 0 3 378.452 0.879 20 0 GCADHN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nc[n-]n2)C1 ZINC001006294834 1201834305 /nfs/dbraw/zinc/83/43/05/1201834305.db2.gz OQJXJTZPFDAICU-SDFXEEBMSA-N 0 3 378.452 0.879 20 0 GCADHN CN(CN1C(=O)NC2(CCN(C)CC2)C1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438655 1201843364 /nfs/dbraw/zinc/84/33/64/1201843364.db2.gz ORJPIVUSUNOTBI-CQSZACIVSA-N 0 3 395.504 0.901 20 0 GCADHN Cn1ccc(N2CCC[C@H](OC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)C2=O)n1 ZINC000744691229 1201851283 /nfs/dbraw/zinc/85/12/83/1201851283.db2.gz GUXANXJUFYFMCA-VWYCJHECSA-N 0 3 388.346 0.916 20 0 GCADHN COCCN1C(=O)c2ccc(C(=O)NCCN3CC[C@@H](C)C3)cc2S1(=O)=O ZINC000744799083 1201855153 /nfs/dbraw/zinc/85/51/53/1201855153.db2.gz UBOWLCDATKSHCS-CYBMUJFWSA-N 0 3 395.481 0.549 20 0 GCADHN Cn1cc(N2CC[C@@H](N[C@H]3C[C@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001086432792 1201874181 /nfs/dbraw/zinc/87/41/81/1201874181.db2.gz FOKDKQVPIPRDSA-MCSCDXIMSA-N 0 3 399.495 0.433 20 0 GCADHN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000766333645 1201884514 /nfs/dbraw/zinc/88/45/14/1201884514.db2.gz WHQTVPVENOKNRK-HNNXBMFYSA-N 0 3 398.504 0.341 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)COCCNC(=O)OC(C)(C)C)CC1 ZINC000766334587 1201888626 /nfs/dbraw/zinc/88/86/26/1201888626.db2.gz VDFUYFPNBHLFOR-OAHLLOKOSA-N 0 3 398.504 0.293 20 0 GCADHN C[C@@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)CN1CCN(C)CC1 ZINC000745863993 1201891958 /nfs/dbraw/zinc/89/19/58/1201891958.db2.gz ZYKQZFKEVGJWMY-UONOGXRCSA-N 0 3 393.454 0.675 20 0 GCADHN CC(C)COC(=O)N1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000745860248 1201892070 /nfs/dbraw/zinc/89/20/70/1201892070.db2.gz MQGRMPGTPMJLIA-KRWDZBQOSA-N 0 3 383.537 0.990 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)CC1 ZINC000745897302 1201892076 /nfs/dbraw/zinc/89/20/76/1201892076.db2.gz BQFBMJCPXKHVNP-UHFFFAOYSA-N 0 3 390.550 0.395 20 0 GCADHN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000746019478 1201896098 /nfs/dbraw/zinc/89/60/98/1201896098.db2.gz RSGUXHPROYUCAN-GJZGRUSLSA-N 0 3 382.505 0.864 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000766337234 1201896611 /nfs/dbraw/zinc/89/66/11/1201896611.db2.gz VZBIHNWANGKQNS-QGZVFWFLSA-N 0 3 387.484 0.297 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1=O ZINC000746290208 1201905400 /nfs/dbraw/zinc/90/54/00/1201905400.db2.gz JFLMFBYRSAQVRP-HUUCEWRRSA-N 0 3 382.505 0.816 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000746267856 1201905417 /nfs/dbraw/zinc/90/54/17/1201905417.db2.gz VRGGXBXQWXRDBC-CABCVRRESA-N 0 3 382.505 0.912 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000184961993 1201907299 /nfs/dbraw/zinc/90/72/99/1201907299.db2.gz VOWYWTCTTHWCPO-DLBZAZTESA-N 0 3 382.530 0.419 20 0 GCADHN CC(C)C1(C)CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000186196182 1201907823 /nfs/dbraw/zinc/90/78/23/1201907823.db2.gz YBFANINVJPGXNP-UHFFFAOYSA-N 0 3 394.560 0.748 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000189115855 1201908952 /nfs/dbraw/zinc/90/89/52/1201908952.db2.gz PNAJJVNHSVWHPD-OAHLLOKOSA-N 0 3 397.545 0.555 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cnc(-c3ncccn3)s2)CC1 ZINC000103121801 1201917170 /nfs/dbraw/zinc/91/71/70/1201917170.db2.gz DFIMOMHIIJARBU-UHFFFAOYSA-N 0 3 386.481 0.980 20 0 GCADHN Cc1nn(C)c2nc(C)cc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)c12 ZINC000103122694 1201917624 /nfs/dbraw/zinc/91/76/24/1201917624.db2.gz AFDJYPHXFIETAI-UHFFFAOYSA-N 0 3 384.484 0.965 20 0 GCADHN CN(CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)c1cccs1 ZINC000103122277 1201917708 /nfs/dbraw/zinc/91/77/08/1201917708.db2.gz LGOWXJZFYCGAHU-UHFFFAOYSA-N 0 3 378.498 0.587 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c1C ZINC000766367581 1201920458 /nfs/dbraw/zinc/92/04/58/1201920458.db2.gz SRJGCESLBUBQEJ-CYBMUJFWSA-N 0 3 396.513 0.832 20 0 GCADHN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000766435593 1201924524 /nfs/dbraw/zinc/92/45/24/1201924524.db2.gz QXSMUYZMYZYBCN-UHFFFAOYSA-N 0 3 393.875 0.749 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000738161653 1201925038 /nfs/dbraw/zinc/92/50/38/1201925038.db2.gz SGYMHURHMJCBAU-SFHVURJKSA-N 0 3 399.495 0.347 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)c1C ZINC000766493110 1201926557 /nfs/dbraw/zinc/92/65/57/1201926557.db2.gz CTCKQQBDUAAKNV-GFCCVEGCSA-N 0 3 382.486 0.442 20 0 GCADHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NCCn1cnnc1 ZINC001168871846 1201927823 /nfs/dbraw/zinc/92/78/23/1201927823.db2.gz QQQFQTLSNLFUKH-CQSZACIVSA-N 0 3 376.461 0.891 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC001169191064 1201934919 /nfs/dbraw/zinc/93/49/19/1201934919.db2.gz KMHMWYUKMURODH-SOUVJXGZSA-N 0 3 375.473 0.856 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)Cc1cnccn1 ZINC001169202416 1201936483 /nfs/dbraw/zinc/93/64/83/1201936483.db2.gz PYLFJKQRDVNDPA-CQSZACIVSA-N 0 3 385.472 0.915 20 0 GCADHN CCn1ccc(CN[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC001169170363 1201936886 /nfs/dbraw/zinc/93/68/86/1201936886.db2.gz VZFKEXLDBSKWLD-CQSZACIVSA-N 0 3 387.488 0.999 20 0 GCADHN COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NC[C@H]1CNC(=O)CO1 ZINC001169270960 1201941724 /nfs/dbraw/zinc/94/17/24/1201941724.db2.gz KTDPPVFKFCWSKN-DZGCQCFKSA-N 0 3 394.472 0.114 20 0 GCADHN Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)CN4CCCC4)CC3)C2=O)cc1 ZINC000103165954 1201943040 /nfs/dbraw/zinc/94/30/40/1201943040.db2.gz IGGXRVVFBRUEPX-GOSISDBHSA-N 0 3 384.480 0.867 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@]3(C[C@@H](OCC(=O)NC)CO3)C2)CO1 ZINC001169384001 1201944369 /nfs/dbraw/zinc/94/43/69/1201944369.db2.gz CYRFAMUSXIRKRN-RCJHGTSTSA-N 0 3 384.473 0.483 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)CO1 ZINC001169396764 1201945663 /nfs/dbraw/zinc/94/56/63/1201945663.db2.gz MEOXSFIDDVQJDR-PFRQMTDMSA-N 0 3 398.500 0.825 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)CO1 ZINC001169399881 1201946204 /nfs/dbraw/zinc/94/62/04/1201946204.db2.gz XBIZSWHOVCFDER-CJNGLKHVSA-N 0 3 376.457 0.952 20 0 GCADHN CNCc1cc(NCC(=O)NC[C@H](O)c2cc(OC)ccc2OC)ncn1 ZINC001169438793 1201947657 /nfs/dbraw/zinc/94/76/57/1201947657.db2.gz LGAZVTRQQYYZQY-HNNXBMFYSA-N 0 3 375.429 0.475 20 0 GCADHN CCN(CC)C(=O)C[C@@H](C)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001169458893 1201949431 /nfs/dbraw/zinc/94/94/31/1201949431.db2.gz MKXOEMAJROVZKT-VYDXJSESSA-N 0 3 376.501 0.824 20 0 GCADHN NCc1ccc2c(n1)N(c1ccc(CN3CCNC3=N[N+](=O)[O-])cn1)CCC2 ZINC001169583817 1201952812 /nfs/dbraw/zinc/95/28/12/1201952812.db2.gz JKNYKWSYDOFTKG-UHFFFAOYSA-N 0 3 382.428 0.973 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCC([C@](C)(O)C(F)(F)F)CC1)C2=O ZINC000767515120 1201975738 /nfs/dbraw/zinc/97/57/38/1201975738.db2.gz RLOXCSGPHJBSTQ-HNNXBMFYSA-N 0 3 392.422 0.985 20 0 GCADHN COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccccc1OC ZINC001108851939 1201975786 /nfs/dbraw/zinc/97/57/86/1201975786.db2.gz NPFLCVHTAWJESS-BDXSIMOUSA-N 0 3 378.469 0.941 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001108957853 1201984975 /nfs/dbraw/zinc/98/49/75/1201984975.db2.gz XBXOIBCFCRQSDG-MQYQWHSLSA-N 0 3 381.395 0.126 20 0 GCADHN COC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cc1ccc(F)cc1 ZINC001108993453 1201987736 /nfs/dbraw/zinc/98/77/36/1201987736.db2.gz COVYNHMFALRXCA-NCOADZHNSA-N 0 3 379.432 0.807 20 0 GCADHN CCOC1CC(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)(N2CCOCC2)C1 ZINC000767802682 1201988687 /nfs/dbraw/zinc/98/86/87/1201988687.db2.gz XJFJFUIDHFSQSB-SARBKMAYSA-N 0 3 396.532 0.419 20 0 GCADHN CCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001109081981 1201993586 /nfs/dbraw/zinc/99/35/86/1201993586.db2.gz KTRDAPXGUKZAHT-OHFALNGGSA-N 0 3 379.457 0.405 20 0 GCADHN Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC[C@@H]2CCOC2)c1C ZINC001109097570 1201993962 /nfs/dbraw/zinc/99/39/62/1201993962.db2.gz ZJNCDYMOOQIINE-FZKCQIBNSA-N 0 3 375.473 0.514 20 0 GCADHN Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)COC2CCOCC2)c1 ZINC001109148480 1201998687 /nfs/dbraw/zinc/99/86/87/1201998687.db2.gz QESRZJKWRARJSE-FPAYPSAMSA-N 0 3 377.485 0.917 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1)C1=CCOCC1 ZINC001109186758 1202002702 /nfs/dbraw/zinc/00/27/02/1202002702.db2.gz PNVYQIBYBLFPKV-FPAYPSAMSA-N 0 3 380.485 0.611 20 0 GCADHN O=C(CC1(O)CCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001109256402 1202009582 /nfs/dbraw/zinc/00/95/82/1202009582.db2.gz PSKIPPTWKBPWCP-MQYQWHSLSA-N 0 3 380.407 0.953 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109278109 1202013613 /nfs/dbraw/zinc/01/36/13/1202013613.db2.gz OVNRXTIRZSYWBS-IKGGRYGDSA-N 0 3 380.514 0.646 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccncc1C)C2 ZINC001109291138 1202014002 /nfs/dbraw/zinc/01/40/02/1202014002.db2.gz KYYBSXDDYLSSCX-YRXWBPOGSA-N 0 3 377.485 0.678 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccncn1)C2 ZINC001109355168 1202023681 /nfs/dbraw/zinc/02/36/81/1202023681.db2.gz OCUGPWVFYMYLQB-OWSLCNJRSA-N 0 3 378.473 0.155 20 0 GCADHN Cn1ccnc1-c1csc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000768721994 1202029179 /nfs/dbraw/zinc/02/91/79/1202029179.db2.gz PILIGCZNMOXLNT-NWDGAFQWSA-N 0 3 390.469 0.462 20 0 GCADHN CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(CO)cc1 ZINC001109362827 1202030253 /nfs/dbraw/zinc/03/02/53/1202030253.db2.gz GGWFZKIBDXRRGD-IKGGRYGDSA-N 0 3 381.498 0.340 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[nH]c3ncn(C)c31)C2 ZINC001109389050 1202034763 /nfs/dbraw/zinc/03/47/63/1202034763.db2.gz RMTKINUPLKIJFZ-RFHZTLPTSA-N 0 3 375.429 0.016 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnn(C)c1C)C2 ZINC001109383838 1202035306 /nfs/dbraw/zinc/03/53/06/1202035306.db2.gz OXYGXFZBYFUSCL-SQNIBIBYSA-N 0 3 377.489 0.145 20 0 GCADHN COCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)N(C)C)C2 ZINC001109400728 1202038236 /nfs/dbraw/zinc/03/82/36/1202038236.db2.gz SDJNTOAAERTAOK-OWSLCNJRSA-N 0 3 379.505 0.198 20 0 GCADHN Cc1cc(NC(=O)CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C2CC2)N(C)C)C3)no1 ZINC001109402149 1202038369 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/nfs/dbraw/zinc/12/73/16/1202127316.db2.gz PKOKLWSGZPUCGV-NEPJUHHUSA-N 0 3 386.518 0.751 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)N1CCCCC1 ZINC000771192652 1202129606 /nfs/dbraw/zinc/12/96/06/1202129606.db2.gz VIVBWECWMXZLNF-CQSZACIVSA-N 0 3 386.456 0.500 20 0 GCADHN CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCOCC1)C2 ZINC001109822730 1202130662 /nfs/dbraw/zinc/13/06/62/1202130662.db2.gz FXEASMSJHGIXNL-PMPSAXMXSA-N 0 3 378.477 0.327 20 0 GCADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCN(C3CC3)C2)C1=O ZINC000771309707 1202134222 /nfs/dbraw/zinc/13/42/22/1202134222.db2.gz HBWFOBGVJXYBNV-RBZFPXEDSA-N 0 3 386.452 0.815 20 0 GCADHN Cc1cc(C)n(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)n1 ZINC001109847691 1202135049 /nfs/dbraw/zinc/13/50/49/1202135049.db2.gz CJGGGZBWZABXBP-QYZOEREBSA-N 0 3 375.517 0.944 20 0 GCADHN O=C(CNC(=O)C1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001109859992 1202138130 /nfs/dbraw/zinc/13/81/30/1202138130.db2.gz FAUHZTUJPHKPJN-NJAFHUGGSA-N 0 3 379.501 0.820 20 0 GCADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001109868161 1202140237 /nfs/dbraw/zinc/14/02/37/1202140237.db2.gz DWGWJPXADVXWPZ-OJLVUWQFSA-N 0 3 379.505 0.426 20 0 GCADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCOC(C)C ZINC001109868637 1202140415 /nfs/dbraw/zinc/14/04/15/1202140415.db2.gz ZJWLODJSTNAKNJ-SQNIBIBYSA-N 0 3 382.549 0.981 20 0 GCADHN Cn1ncnc1COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CC(C)(C)CO1 ZINC001109911330 1202149150 /nfs/dbraw/zinc/14/91/50/1202149150.db2.gz RCODESOPAMTTAB-WCVJEAGWSA-N 0 3 377.489 0.868 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cccc(-n2cnnn2)c1 ZINC000771558540 1202149196 /nfs/dbraw/zinc/14/91/96/1202149196.db2.gz ASUMOSYLRRAOKJ-UHFFFAOYSA-N 0 3 391.457 0.805 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000771660446 1202153713 /nfs/dbraw/zinc/15/37/13/1202153713.db2.gz HQUUVNZZLGKDTI-UHFFFAOYSA-N 0 3 399.536 0.160 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cccn1)C2 ZINC001109945589 1202155277 /nfs/dbraw/zinc/15/52/77/1202155277.db2.gz JVHMCWXZRQUOIT-BGTYHANMSA-N 0 3 377.489 0.708 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCC(C(=O)NCCO)CC1)c1ccccc1 ZINC000771755841 1202157198 /nfs/dbraw/zinc/15/71/98/1202157198.db2.gz JAIXJJZGKGVQKN-SFHVURJKSA-N 0 3 376.501 0.226 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCN(CC[S@@](C)=O)CC1)c1ccccc1 ZINC000771764245 1202161299 /nfs/dbraw/zinc/16/12/99/1202161299.db2.gz XKCRFFCZPDOBKG-HFJWLAOPSA-N 0 3 380.558 0.402 20 0 GCADHN C[C@@H](N[C@@H](CO)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000771811912 1202163376 /nfs/dbraw/zinc/16/33/76/1202163376.db2.gz FOJMGVYTHCUOQN-DYVFJYSZSA-N 0 3 397.497 0.395 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1C(N)=O)C2 ZINC001109981275 1202166401 /nfs/dbraw/zinc/16/64/01/1202166401.db2.gz NZQFPLFUJUFZBF-FZCLSBEQSA-N 0 3 375.469 0.447 20 0 GCADHN CNC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)COC)c1 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LXAHXRJPXNUYHU-SFHVURJKSA-N 0 3 381.517 0.975 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccsc1 ZINC000787652316 1205397609 /nfs/dbraw/zinc/39/76/09/1205397609.db2.gz ILCKNDGIQKJHRY-OWCLPIDISA-N 0 3 380.514 0.446 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000787751235 1205399650 /nfs/dbraw/zinc/39/96/50/1205399650.db2.gz LNXJCTANWCPUJN-CHWSQXEVSA-N 0 3 392.422 0.599 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)NCc2ccc(-n3ccnc3)cc2)CC1 ZINC000787913011 1205407973 /nfs/dbraw/zinc/40/79/73/1205407973.db2.gz UEAGEIBWNSKDPW-UHFFFAOYSA-N 0 3 398.511 0.632 20 0 GCADHN COc1cccc(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1OC ZINC000787924504 1205408453 /nfs/dbraw/zinc/40/84/53/1205408453.db2.gz GRKVICFNBDITCF-JKSUJKDBSA-N 0 3 391.468 0.342 20 0 GCADHN COc1cccc(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1OC ZINC000787924499 1205408506 /nfs/dbraw/zinc/40/85/06/1205408506.db2.gz GRKVICFNBDITCF-CVEARBPZSA-N 0 3 391.468 0.342 20 0 GCADHN CC(C)(C)OC(=O)NC1(CO)CCN(C[C@@H](O)COC2CCOCC2)CC1 ZINC000788002306 1205411201 /nfs/dbraw/zinc/41/12/01/1205411201.db2.gz AVAWVECRTSIBSL-OAHLLOKOSA-N 0 3 388.505 0.895 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000787996497 1205411219 /nfs/dbraw/zinc/41/12/19/1205411219.db2.gz SQJYMCUQGXZMIM-DVAPBTGTSA-N 0 3 379.461 0.023 20 0 GCADHN CC(C)Oc1ccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cn1 ZINC000787983519 1205412058 /nfs/dbraw/zinc/41/20/58/1205412058.db2.gz PIYADGVTYGUWAS-HZPDHXFCSA-N 0 3 376.457 0.464 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)NC(=O)OC(C)(C)C ZINC000788242567 1205417038 /nfs/dbraw/zinc/41/70/38/1205417038.db2.gz JQFRLYBKXDZCAL-SJKOYZFVSA-N 0 3 388.534 0.569 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H](C3(C)OCCO3)C2)CCSC1 ZINC000788239857 1205417181 /nfs/dbraw/zinc/41/71/81/1205417181.db2.gz ABNAYTGMZPOBBU-KSSFIOAISA-N 0 3 385.530 0.542 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000788246990 1205417307 /nfs/dbraw/zinc/41/73/07/1205417307.db2.gz TXHCFAIWDTZKDS-SJCJKPOMSA-N 0 3 388.534 0.569 20 0 GCADHN CCOC(=O)N1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000788255894 1205417404 /nfs/dbraw/zinc/41/74/04/1205417404.db2.gz VLUMEYCRXKVWCU-KRWDZBQOSA-N 0 3 386.518 0.231 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)CCSC1 ZINC000788248886 1205417419 /nfs/dbraw/zinc/41/74/19/1205417419.db2.gz WMXFQIAHLRKSSV-SFHVURJKSA-N 0 3 388.497 0.437 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000788246996 1205417487 /nfs/dbraw/zinc/41/74/87/1205417487.db2.gz TXHCFAIWDTZKDS-YVEFUNNKSA-N 0 3 388.534 0.569 20 0 GCADHN O=C(NCc1ccccc1N1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000788330145 1205419192 /nfs/dbraw/zinc/41/91/92/1205419192.db2.gz ARQPXQQEDAHJMJ-SFHVURJKSA-N 0 3 386.496 0.740 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCSC(C)(C)C)CC1 ZINC000788378830 1205421065 /nfs/dbraw/zinc/42/10/65/1205421065.db2.gz HMTZPTAMUHUPJV-AWEZNQCLSA-N 0 3 384.546 0.399 20 0 GCADHN COc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000788404412 1205422723 /nfs/dbraw/zinc/42/27/23/1205422723.db2.gz XOSFGLREIJNJKW-VKJFTORMSA-N 0 3 391.468 0.558 20 0 GCADHN O=C(NCCCc1nc2ccccc2[nH]1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000788458792 1205423216 /nfs/dbraw/zinc/42/32/16/1205423216.db2.gz HMEAEQVNHNSVMP-LSDHHAIUSA-N 0 3 385.468 0.591 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788530420 1205425476 /nfs/dbraw/zinc/42/54/76/1205425476.db2.gz YSWSFPWSHIIGCD-UHFFFAOYSA-N 0 3 398.451 0.368 20 0 GCADHN C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000788655861 1205428127 /nfs/dbraw/zinc/42/81/27/1205428127.db2.gz BSCUNNNQLOWABL-LZLYRXPVSA-N 0 3 387.484 0.939 20 0 GCADHN CN(CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(=O)OC(C)(C)C ZINC000788893648 1205432128 /nfs/dbraw/zinc/43/21/28/1205432128.db2.gz SZAJCRSDAJOSJF-GJZGRUSLSA-N 0 3 398.504 0.339 20 0 GCADHN Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3nc[n-]n3)CC2)c(N(C)C)[nH+]1 ZINC000789161398 1205436690 /nfs/dbraw/zinc/43/66/90/1205436690.db2.gz CMYXYRMDXNTMQG-UHFFFAOYSA-N 0 3 394.461 0.113 20 0 GCADHN O=C(NCc1cccc(N2CCOC2=O)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000789568844 1205442615 /nfs/dbraw/zinc/44/26/15/1205442615.db2.gz WJGDDXCFWIKOIO-INIZCTEOSA-N 0 3 386.452 0.860 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000789760077 1205446086 /nfs/dbraw/zinc/44/60/86/1205446086.db2.gz YIBNXSXGCJUMMM-IRXDYDNUSA-N 0 3 375.444 0.953 20 0 GCADHN CCOC(=O)N[C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)CC(C)C ZINC000789929136 1205451535 /nfs/dbraw/zinc/45/15/35/1205451535.db2.gz JUGCCHTWPHZTOL-JKSUJKDBSA-N 0 3 382.505 0.960 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)c2nnnn2C)CC1 ZINC000790154064 1205457187 /nfs/dbraw/zinc/45/71/87/1205457187.db2.gz PSQBVPZKOUTDGM-HNNXBMFYSA-N 0 3 386.504 0.908 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C)c2nnnn2C)CC1 ZINC000790154065 1205457480 /nfs/dbraw/zinc/45/74/80/1205457480.db2.gz PSQBVPZKOUTDGM-OAHLLOKOSA-N 0 3 386.504 0.908 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC(c2cn[nH]c2)CC1)CN1CCN(C)CC1 ZINC000790184307 1205457660 /nfs/dbraw/zinc/45/76/60/1205457660.db2.gz JPFWSAHOCXHJEU-HNNXBMFYSA-N 0 3 376.505 0.115 20 0 GCADHN C[C@H](NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)c1nnnn1C ZINC000790163967 1205457761 /nfs/dbraw/zinc/45/77/61/1205457761.db2.gz HXRYBXSLSFELHD-RDJZCZTQSA-N 0 3 386.504 0.949 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCc2ccccc2OC1)CN1CCN(C)CC1 ZINC000790193978 1205458319 /nfs/dbraw/zinc/45/83/19/1205458319.db2.gz FEUGBLUGOJIFBH-FUHWJXTLSA-N 0 3 388.512 0.496 20 0 GCADHN COc1c(C)cnc(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1C ZINC000790191991 1205458330 /nfs/dbraw/zinc/45/83/30/1205458330.db2.gz PAOBTBSFCNPLDA-CQSZACIVSA-N 0 3 391.516 0.323 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCc2ccccc2OC1)CN1CCN(C)CC1 ZINC000790193979 1205458742 /nfs/dbraw/zinc/45/87/42/1205458742.db2.gz FEUGBLUGOJIFBH-SJLPKXTDSA-N 0 3 388.512 0.496 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000790208453 1205458852 /nfs/dbraw/zinc/45/88/52/1205458852.db2.gz ISFDIJDVNNESOM-IAGOWNOFSA-N 0 3 396.532 0.178 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CN1CCN(C)CC1 ZINC000790193442 1205459038 /nfs/dbraw/zinc/45/90/38/1205459038.db2.gz ARKWQRLUAMULDB-CABCVRRESA-N 0 3 399.536 0.016 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000790514820 1205466562 /nfs/dbraw/zinc/46/65/62/1205466562.db2.gz HICFKSJUIQLNDK-HNNXBMFYSA-N 0 3 398.504 0.339 20 0 GCADHN CC(C)[C@H](NC[C@@H]1CC2(CC2)C(=O)O1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791623955 1205478846 /nfs/dbraw/zinc/47/88/46/1205478846.db2.gz KREICSHXJSXJDD-BBRMVZONSA-N 0 3 375.473 0.893 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCn4cnnc4[C@@H]3C)cc2)CC1 ZINC000792355992 1205486672 /nfs/dbraw/zinc/48/66/72/1205486672.db2.gz XXWBKULKZZFHBT-HNNXBMFYSA-N 0 3 397.483 0.962 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)c1nnnn1C1CC1 ZINC000792469251 1205487932 /nfs/dbraw/zinc/48/79/32/1205487932.db2.gz QOTKGSCKSVOEGI-LLVKDONJSA-N 0 3 387.444 0.894 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000792469253 1205487993 /nfs/dbraw/zinc/48/79/93/1205487993.db2.gz QOTKGSCKSVOEGI-NSHDSACASA-N 0 3 387.444 0.894 20 0 GCADHN CC[C@@H](C)N1CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001170316000 1205490545 /nfs/dbraw/zinc/49/05/45/1205490545.db2.gz SPUXWFCAXPCLFC-CVEARBPZSA-N 0 3 396.557 0.797 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)NCc2ccn(-c3ccccc3)n2)CC1(C)C ZINC000793661501 1205501938 /nfs/dbraw/zinc/50/19/38/1205501938.db2.gz CYKLGKVBSHTSKQ-UHFFFAOYSA-N 0 3 398.511 0.631 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000793675403 1205502343 /nfs/dbraw/zinc/50/23/43/1205502343.db2.gz OGSXXADIYULAKG-FJBKBRRZSA-N 0 3 381.473 0.204 20 0 GCADHN C[C@@H](COc1ccccc1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000793683557 1205502584 /nfs/dbraw/zinc/50/25/84/1205502584.db2.gz QTKKKATTWDDPHS-KRWDZBQOSA-N 0 3 376.501 0.666 20 0 GCADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793712445 1205502997 /nfs/dbraw/zinc/50/29/97/1205502997.db2.gz NPELDFMVTMRDEM-SJORKVTESA-N 0 3 380.533 0.988 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000793715296 1205503009 /nfs/dbraw/zinc/50/30/09/1205503009.db2.gz XTSFIAPVCOFGQD-AWEZNQCLSA-N 0 3 382.505 0.960 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793710769 1205503086 /nfs/dbraw/zinc/50/30/86/1205503086.db2.gz UJTKKKPFBJSEAG-CABCVRRESA-N 0 3 382.505 0.960 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793710778 1205503197 /nfs/dbraw/zinc/50/31/97/1205503197.db2.gz UJTKKKPFBJSEAG-LSDHHAIUSA-N 0 3 382.505 0.960 20 0 GCADHN O=C(NCCCOCCc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793715947 1205503337 /nfs/dbraw/zinc/50/33/37/1205503337.db2.gz BDMLSWTXQGODNI-OALUTQOASA-N 0 3 389.496 0.731 20 0 GCADHN O=C(NCCCOCCc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793715949 1205503463 /nfs/dbraw/zinc/50/34/63/1205503463.db2.gz BDMLSWTXQGODNI-RBUKOAKNSA-N 0 3 389.496 0.731 20 0 GCADHN O=C(NCc1ccccc1N1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793721789 1205503536 /nfs/dbraw/zinc/50/35/36/1205503536.db2.gz ZRLBSWCRAXYWSW-ZWKOTPCHSA-N 0 3 386.496 0.882 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1)N1CCCCC1 ZINC000793698302 1205503996 /nfs/dbraw/zinc/50/39/96/1205503996.db2.gz IXLDVKWLCOXDRV-QZTJIDSGSA-N 0 3 380.533 0.548 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793699892 1205504321 /nfs/dbraw/zinc/50/43/21/1205504321.db2.gz NTAXWJVBGIZZKU-VXGBXAGGSA-N 0 3 378.395 0.256 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793699888 1205504381 /nfs/dbraw/zinc/50/43/81/1205504381.db2.gz NTAXWJVBGIZZKU-RYUDHWBXSA-N 0 3 378.395 0.256 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793702590 1205504494 /nfs/dbraw/zinc/50/44/94/1205504494.db2.gz UAEGIEQWCATZJX-YESZJQIVSA-N 0 3 396.532 0.367 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)N1CCCCC1 ZINC000793707655 1205504572 /nfs/dbraw/zinc/50/45/72/1205504572.db2.gz IZYQKRYDNYVSQA-IKGGRYGDSA-N 0 3 391.516 0.683 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793702587 1205504665 /nfs/dbraw/zinc/50/46/65/1205504665.db2.gz UAEGIEQWCATZJX-GVDBMIGSSA-N 0 3 396.532 0.367 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)N1CCCCC1 ZINC000793709191 1205504880 /nfs/dbraw/zinc/50/48/80/1205504880.db2.gz KHMHCIKWSQGYTP-HNNXBMFYSA-N 0 3 392.475 0.591 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793709370 1205504970 /nfs/dbraw/zinc/50/49/70/1205504970.db2.gz LSBUOIJEUWRZGF-CHWSQXEVSA-N 0 3 392.422 0.599 20 0 GCADHN Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000793760706 1205505075 /nfs/dbraw/zinc/50/50/75/1205505075.db2.gz FDHLEGCQBKRGIM-XYJFISCASA-N 0 3 375.469 0.858 20 0 GCADHN Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000793765205 1205505205 /nfs/dbraw/zinc/50/52/05/1205505205.db2.gz ARUXCENNUHVTHU-GOSISDBHSA-N 0 3 390.528 0.974 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)[C@@H](C)C1 ZINC000793729575 1205505281 /nfs/dbraw/zinc/50/52/81/1205505281.db2.gz XXYUNZGNGCFPBZ-CVEARBPZSA-N 0 3 382.505 0.073 20 0 GCADHN Cc1nccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793802836 1205506359 /nfs/dbraw/zinc/50/63/59/1205506359.db2.gz ORXIANUHTUYHBB-SJORKVTESA-N 0 3 398.467 0.171 20 0 GCADHN COCCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793804193 1205506468 /nfs/dbraw/zinc/50/64/68/1205506468.db2.gz WJUKOTPRHXMEBK-DLBZAZTESA-N 0 3 391.468 0.307 20 0 GCADHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793802062 1205506487 /nfs/dbraw/zinc/50/64/87/1205506487.db2.gz SZDMPGHBOOKTSA-YUELXQCFSA-N 0 3 397.422 0.828 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC000793814987 1205507278 /nfs/dbraw/zinc/50/72/78/1205507278.db2.gz CSROFIOXGILEEJ-UHFFFAOYSA-N 0 3 398.504 0.150 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CC1 ZINC000793818751 1205507503 /nfs/dbraw/zinc/50/75/03/1205507503.db2.gz WWAALNKSLSLOLX-OAHLLOKOSA-N 0 3 383.489 0.215 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)CC1 ZINC000793817683 1205507615 /nfs/dbraw/zinc/50/76/15/1205507615.db2.gz RZBSECJWMCVWHF-RYZJOYRSSA-N 0 3 397.516 0.651 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000793902565 1205508866 /nfs/dbraw/zinc/50/88/66/1205508866.db2.gz RSFNGWAARUQWTH-PMPSAXMXSA-N 0 3 383.489 0.261 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000793934732 1205509966 /nfs/dbraw/zinc/50/99/66/1205509966.db2.gz CCCPXYNFXVMARW-UKRRQHHQSA-N 0 3 382.505 0.959 20 0 GCADHN CN(CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000793938181 1205510743 /nfs/dbraw/zinc/51/07/43/1205510743.db2.gz RANVAEGVSFGLFX-AWEZNQCLSA-N 0 3 382.505 0.960 20 0 GCADHN CN(C[C@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1)C(=O)OC(C)(C)C ZINC000793937751 1205510800 /nfs/dbraw/zinc/51/08/00/1205510800.db2.gz QDLFEKYYGODXEW-CQSZACIVSA-N 0 3 382.505 0.912 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000804416494 1205516029 /nfs/dbraw/zinc/51/60/29/1205516029.db2.gz RVVIJVYPNHCIMV-KURKYZTESA-N 0 3 391.516 0.825 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000804573757 1205518239 /nfs/dbraw/zinc/51/82/39/1205518239.db2.gz IOCSCXZNGUHCIO-CQSZACIVSA-N 0 3 390.484 0.419 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1)N1CCC[C@@H](C)C1 ZINC000804751037 1205523433 /nfs/dbraw/zinc/52/34/33/1205523433.db2.gz SHSIMDVKNKBMSC-KGLIPLIRSA-N 0 3 382.505 0.959 20 0 GCADHN Cn1ccnc1[C@H](O)C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000804728978 1205524007 /nfs/dbraw/zinc/52/40/07/1205524007.db2.gz ATOFJGWUXHMKFV-DLBZAZTESA-N 0 3 389.500 0.293 20 0 GCADHN Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cc1 ZINC000804730741 1205524159 /nfs/dbraw/zinc/52/41/59/1205524159.db2.gz ATVNCDZJOATYJD-SJLPKXTDSA-N 0 3 384.480 0.817 20 0 GCADHN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804732372 1205524220 /nfs/dbraw/zinc/52/42/20/1205524220.db2.gz MIABBXYDEAIJRC-HOTGVXAUSA-N 0 3 394.516 0.960 20 0 GCADHN CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804732863 1205524572 /nfs/dbraw/zinc/52/45/72/1205524572.db2.gz ZHJPLQZAMRIXQQ-OAHLLOKOSA-N 0 3 380.489 0.570 20 0 GCADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129938264 1205524922 /nfs/dbraw/zinc/52/49/22/1205524922.db2.gz UICRBOANMVLRDC-AXSMETJDSA-N 0 3 375.473 0.468 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129938410 1205525008 /nfs/dbraw/zinc/52/50/08/1205525008.db2.gz WZTGTJJYOLUYTR-NNEGLZRWSA-N 0 3 385.390 0.995 20 0 GCADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1 ZINC001129939618 1205525120 /nfs/dbraw/zinc/52/51/20/1205525120.db2.gz NWPMYWVXCJXDBK-IECFSIQFSA-N 0 3 377.489 0.860 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129941267 1205525329 /nfs/dbraw/zinc/52/53/29/1205525329.db2.gz RJJLVPTXYIXPHQ-KBXIAJHMSA-N 0 3 387.431 0.716 20 0 GCADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1n1ccnn1 ZINC001129943150 1205525481 /nfs/dbraw/zinc/52/54/81/1205525481.db2.gz OMRBHMCRTDBXIB-BDXSIMOUSA-N 0 3 377.489 0.860 20 0 GCADHN COC[C@]1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCCN1C(=O)OC(C)(C)C ZINC000804789322 1205526231 /nfs/dbraw/zinc/52/62/31/1205526231.db2.gz GRDGEMPRQJAHNW-OXJNMPFZSA-N 0 3 396.532 0.909 20 0 GCADHN CS(=O)(=O)CCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@@H]1n1ccnn1 ZINC001130033723 1205529579 /nfs/dbraw/zinc/52/95/79/1205529579.db2.gz BSNIDCCRSLJBJA-JJXSEGSLSA-N 0 3 381.502 0.100 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC(C3OCCO3)CC2)CC1 ZINC000805156277 1205532782 /nfs/dbraw/zinc/53/27/82/1205532782.db2.gz OPCROSHYCGXUMW-UHFFFAOYSA-N 0 3 397.516 0.604 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000805156959 1205532862 /nfs/dbraw/zinc/53/28/62/1205532862.db2.gz LQFYLZHCELTMRS-INIZCTEOSA-N 0 3 397.516 0.794 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n(C)c1 ZINC000747232362 1205532965 /nfs/dbraw/zinc/53/29/65/1205532965.db2.gz WCTCLHZEQMFBLJ-LSDHHAIUSA-N 0 3 398.529 0.649 20 0 GCADHN COC(=O)N1CCC(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000805187118 1205533335 /nfs/dbraw/zinc/53/33/35/1205533335.db2.gz YUFZWDOAINLDIN-INIZCTEOSA-N 0 3 397.520 0.707 20 0 GCADHN CCCNC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000805416878 1205536230 /nfs/dbraw/zinc/53/62/30/1205536230.db2.gz BVLPAQTWUVJTQN-HZPDHXFCSA-N 0 3 382.505 0.914 20 0 GCADHN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000805416876 1205536306 /nfs/dbraw/zinc/53/63/06/1205536306.db2.gz BVLPAQTWUVJTQN-HOTGVXAUSA-N 0 3 382.505 0.914 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NC2CC2)[n-]1 ZINC001130238196 1205539068 /nfs/dbraw/zinc/53/90/68/1205539068.db2.gz YLHAUEUSQQQTHM-BEAPCOKYSA-N 0 3 390.488 0.208 20 0 GCADHN O=C(NCc1c[nH]nc1[C@@H]1CCN(CCOCCO)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001130401571 1205544999 /nfs/dbraw/zinc/54/49/99/1205544999.db2.gz HJKNWIQATZVQHL-PVHWUHCKSA-N 0 3 390.484 0.248 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806254378 1205552722 /nfs/dbraw/zinc/55/27/22/1205552722.db2.gz LCDUALZFDUMCEE-JKSUJKDBSA-N 0 3 383.489 0.405 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCC2(C)OCCO2)c1 ZINC000806375456 1205555007 /nfs/dbraw/zinc/55/50/07/1205555007.db2.gz ZVZBHNJSAGKHBL-UHFFFAOYSA-N 0 3 393.484 0.855 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NC/C=C/Cl)C2)O1 ZINC001130615303 1205555744 /nfs/dbraw/zinc/55/57/44/1205555744.db2.gz PNIARPUOYJIRLU-JPCQJHQOSA-N 0 3 381.908 0.776 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1C ZINC000747327423 1205556785 /nfs/dbraw/zinc/55/67/85/1205556785.db2.gz VEXXMWGDJMRJSA-IRXDYDNUSA-N 0 3 395.525 0.951 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000747327419 1205556888 /nfs/dbraw/zinc/55/68/88/1205556888.db2.gz VEXXMWGDJMRJSA-IAGOWNOFSA-N 0 3 395.525 0.951 20 0 GCADHN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c(C)c12 ZINC000747341673 1205561101 /nfs/dbraw/zinc/56/11/01/1205561101.db2.gz GYJBQUBEELGRKV-HUUCEWRRSA-N 0 3 387.484 0.790 20 0 GCADHN CNC(=O)OC[C@H]1CCCCN1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000806675667 1205561412 /nfs/dbraw/zinc/56/14/12/1205561412.db2.gz UKZLCGKAHXJDHC-CVEARBPZSA-N 0 3 397.520 0.849 20 0 GCADHN Cn1ccnc1[C@](O)(CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(F)(F)F ZINC000747343766 1205561495 /nfs/dbraw/zinc/56/14/95/1205561495.db2.gz SRJGAWRGWKZWQW-TYNCELHUSA-N 0 3 376.379 0.540 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806710207 1205564502 /nfs/dbraw/zinc/56/45/02/1205564502.db2.gz OZQJMYOYWKKFQE-PMPSAXMXSA-N 0 3 381.473 0.110 20 0 GCADHN O=C(NC[C@@H]1COC2(CCOCC2)O1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000806712144 1205564718 /nfs/dbraw/zinc/56/47/18/1205564718.db2.gz BJGXKIKINDBIOZ-JKSUJKDBSA-N 0 3 381.473 0.112 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000806764846 1205566562 /nfs/dbraw/zinc/56/65/62/1205566562.db2.gz MGEPRXOLPBTPOS-HNNXBMFYSA-N 0 3 399.536 0.112 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)CC1(C)C ZINC000806787545 1205567272 /nfs/dbraw/zinc/56/72/72/1205567272.db2.gz LBJNXAMAFYVIDG-UHFFFAOYSA-N 0 3 396.532 0.130 20 0 GCADHN COCCOC(=O)c1c(C)[nH]c(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1C ZINC001130807643 1205572148 /nfs/dbraw/zinc/57/21/48/1205572148.db2.gz XNIDHTPUEGGYIM-UHFFFAOYSA-N 0 3 396.488 0.527 20 0 GCADHN CCOC(=O)C1=C(Nc2ccc3c(c2)C(=O)N[C@@H](C(=O)OCC)O3)CCNC1 ZINC001170516403 1205573275 /nfs/dbraw/zinc/57/32/75/1205573275.db2.gz ATPYSSGLPVNRTP-QGZVFWFLSA-N 0 3 389.408 0.920 20 0 GCADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000807334057 1205579589 /nfs/dbraw/zinc/57/95/89/1205579589.db2.gz ITILXDRDKACRFN-UHFFFAOYSA-N 0 3 399.517 0.201 20 0 GCADHN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000805283450 1205580895 /nfs/dbraw/zinc/58/08/95/1205580895.db2.gz IUNFCGBYEFFSSY-HZPDHXFCSA-N 0 3 382.505 0.866 20 0 GCADHN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000805283451 1205580962 /nfs/dbraw/zinc/58/09/62/1205580962.db2.gz IUNFCGBYEFFSSY-JKSUJKDBSA-N 0 3 382.505 0.866 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)CC1(C)OCCO1 ZINC000807422247 1205581674 /nfs/dbraw/zinc/58/16/74/1205581674.db2.gz FYGRHJPMBYTMQI-HZPDHXFCSA-N 0 3 385.505 0.461 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2ccc(C)cc2)CC1 ZINC000807458021 1205581897 /nfs/dbraw/zinc/58/18/97/1205581897.db2.gz QUMPUXCHZIQWDN-UHFFFAOYSA-N 0 3 376.501 0.728 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H](NC/C=C/Cl)C2)C1 ZINC001130991528 1205584933 /nfs/dbraw/zinc/58/49/33/1205584933.db2.gz PKWPFGVWWGDILM-PKMNNKDVSA-N 0 3 379.892 0.971 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H](NC/C=C\Cl)C2)O1 ZINC001131014605 1205587639 /nfs/dbraw/zinc/58/76/39/1205587639.db2.gz BZLNJXZXPAMNJK-ICTVOFNLSA-N 0 3 381.908 0.776 20 0 GCADHN CS[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000807756932 1205589528 /nfs/dbraw/zinc/58/95/28/1205589528.db2.gz CXROZGGIKJHIQS-RBSFLKMASA-N 0 3 382.530 0.152 20 0 GCADHN CS[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000807765871 1205589759 /nfs/dbraw/zinc/58/97/59/1205589759.db2.gz SPAAVNPFIIZJHK-LSDHHAIUSA-N 0 3 382.530 0.153 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NC/C=C\Cl)C1 ZINC001131070415 1205591509 /nfs/dbraw/zinc/59/15/09/1205591509.db2.gz UOSMZOZLNYRWDX-KRAHSUHSSA-N 0 3 379.892 0.781 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NCCNC(=O)C2CC2)C1 ZINC001131075972 1205593596 /nfs/dbraw/zinc/59/35/96/1205593596.db2.gz BYELZJFTBATUDB-IIVZCXTMSA-N 0 3 389.500 0.255 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H](NCCNC(=O)C3CC3)C2)O1 ZINC001131076279 1205593920 /nfs/dbraw/zinc/59/39/20/1205593920.db2.gz KKDIVWFGMDBYCH-GFOCRRMGSA-N 0 3 389.500 0.398 20 0 GCADHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)NC[C@H]2CCCN2CC)C1 ZINC000808041039 1205596199 /nfs/dbraw/zinc/59/61/99/1205596199.db2.gz LXOHGDIIXOWQJQ-OWCLPIDISA-N 0 3 382.505 0.960 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000808156893 1205600701 /nfs/dbraw/zinc/60/07/01/1205600701.db2.gz QOEHMCFXFDJUQB-UONOGXRCSA-N 0 3 388.436 0.893 20 0 GCADHN O=C(OCC(F)(F)F)N1CCC[C@H]1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000808161760 1205601012 /nfs/dbraw/zinc/60/10/12/1205601012.db2.gz YPFPQXBLPVJOBL-AVGNSLFASA-N 0 3 379.379 0.817 20 0 GCADHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](CO)CN3CCCC3)C2=O)cc1 ZINC000808221360 1205602674 /nfs/dbraw/zinc/60/26/74/1205602674.db2.gz FUGIICZQMCHKMX-OXQOHEQNSA-N 0 3 388.468 0.335 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000808220350 1205602820 /nfs/dbraw/zinc/60/28/20/1205602820.db2.gz DBMVKSLHUUTQPA-IAGOWNOFSA-N 0 3 376.436 0.477 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000808225080 1205603164 /nfs/dbraw/zinc/60/31/64/1205603164.db2.gz KGSCDZQBHKWCOF-GOSISDBHSA-N 0 3 386.496 0.848 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc3ccccc3oc2=O)CC1=O ZINC000808270248 1205604488 /nfs/dbraw/zinc/60/44/88/1205604488.db2.gz UIVVMBYNZQJIBR-OAHLLOKOSA-N 0 3 387.436 0.702 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c(Cl)nc3ccccn32)CC1=O ZINC000808269850 1205604506 /nfs/dbraw/zinc/60/45/06/1205604506.db2.gz OGVLOUROVHPHHH-ZDUSSCGKSA-N 0 3 393.875 0.897 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000747481897 1205605323 /nfs/dbraw/zinc/60/53/23/1205605323.db2.gz KSMRACGRGMPUFV-AWEZNQCLSA-N 0 3 381.498 0.813 20 0 GCADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000808869190 1205612992 /nfs/dbraw/zinc/61/29/92/1205612992.db2.gz WFLYYXNQQVQIFQ-UHFFFAOYSA-N 0 3 398.511 0.792 20 0 GCADHN COc1cccc(CNC(=O)CNCCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 ZINC001131505988 1205614075 /nfs/dbraw/zinc/61/40/75/1205614075.db2.gz ISXDHJYWTQZLLG-VDZJLULYSA-N 0 3 375.469 0.832 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808923071 1205614429 /nfs/dbraw/zinc/61/44/29/1205614429.db2.gz DFDRSDRALHJATD-OAHLLOKOSA-N 0 3 375.425 0.865 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC[C@H]1Cc2ccccc2O1 ZINC001131516602 1205615360 /nfs/dbraw/zinc/61/53/60/1205615360.db2.gz JAFAHDXOCUBNSG-ZZWCWMLESA-N 0 3 385.464 0.236 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)NCc1ccccc1 ZINC001131517556 1205615405 /nfs/dbraw/zinc/61/54/05/1205615405.db2.gz 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C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1cccs1 ZINC001131648385 1205622692 /nfs/dbraw/zinc/62/26/92/1205622692.db2.gz WBOKKOSTFQJJPW-XJIUQZFPSA-N 0 3 381.498 0.683 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1=CCN(C)CC1 ZINC000809707788 1205629068 /nfs/dbraw/zinc/62/90/68/1205629068.db2.gz OMEVHMSFAGOKHR-CQSZACIVSA-N 0 3 398.504 0.099 20 0 GCADHN CC(C)(C)OC(=O)NC[C@](C)(O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000809942202 1205631660 /nfs/dbraw/zinc/63/16/60/1205631660.db2.gz FWWPHEPGOWSRIH-IBGZPJMESA-N 0 3 384.521 0.502 20 0 GCADHN CC(C)(C)OC(=O)NC[C@@](C)(O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000809942203 1205631799 /nfs/dbraw/zinc/63/17/99/1205631799.db2.gz FWWPHEPGOWSRIH-LJQANCHMSA-N 0 3 384.521 0.502 20 0 GCADHN C[C@@H]1CN(CCNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CCO1 ZINC000747586383 1205632896 /nfs/dbraw/zinc/63/28/96/1205632896.db2.gz XPWOMRKYYJNFPN-RLLQIKCJSA-N 0 3 390.528 0.889 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](NCCS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001170604157 1205636526 /nfs/dbraw/zinc/63/65/26/1205636526.db2.gz QGRMNVMDFPXQSP-STQMWFEESA-N 0 3 378.491 0.952 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@@]3(C)CCOC3=O)c2)CC1 ZINC000810479475 1205639088 /nfs/dbraw/zinc/63/90/88/1205639088.db2.gz NOMUJHVIGVOGNW-FQEVSTJZSA-N 0 3 388.468 0.977 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)CN1C(=O)OC(C)(C)C ZINC001170616997 1205642992 /nfs/dbraw/zinc/64/29/92/1205642992.db2.gz MPXJSRNDCNSINE-UPJWGTAASA-N 0 3 383.445 0.712 20 0 GCADHN CC(C)(C)OC(=O)CS(=O)(=O)CCN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC001170631182 1205650293 /nfs/dbraw/zinc/65/02/93/1205650293.db2.gz BJXHCBPRRFCKIC-NVXWUHKLSA-N 0 3 377.503 0.653 20 0 GCADHN COC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(C3CCOCC3)C[C@H]2C)C1=O ZINC000811769749 1205655969 /nfs/dbraw/zinc/65/59/69/1205655969.db2.gz FTQPUQBEPWIFBA-KUHUBIRLSA-N 0 3 396.488 0.393 20 0 GCADHN COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(C3CCOCC3)C[C@@H]2C)C1=O ZINC000811769748 1205656106 /nfs/dbraw/zinc/65/61/06/1205656106.db2.gz FTQPUQBEPWIFBA-IFXJQAMLSA-N 0 3 396.488 0.393 20 0 GCADHN COc1ccc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)nn1 ZINC001086699141 1205658825 /nfs/dbraw/zinc/65/88/25/1205658825.db2.gz WFZPVFMUWGXOTR-HLPPOEQASA-N 0 3 375.473 0.774 20 0 GCADHN COCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000812067894 1205660770 /nfs/dbraw/zinc/66/07/70/1205660770.db2.gz VARHOSOZIZPJRR-INIZCTEOSA-N 0 3 378.521 0.866 20 0 GCADHN COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000812119457 1205661289 /nfs/dbraw/zinc/66/12/89/1205661289.db2.gz YGEGSBAFQOFXDO-JKSUJKDBSA-N 0 3 392.504 0.171 20 0 GCADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCOC ZINC000812128921 1205661576 /nfs/dbraw/zinc/66/15/76/1205661576.db2.gz LKRATFIOJACHQK-OAHLLOKOSA-N 0 3 380.493 0.204 20 0 GCADHN COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000812144097 1205661814 /nfs/dbraw/zinc/66/18/14/1205661814.db2.gz AOHQRPTYHPIQLU-INIZCTEOSA-N 0 3 387.488 0.662 20 0 GCADHN CCCNC(=O)[C@H]1CCCN([C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)C1 ZINC000747836879 1205672730 /nfs/dbraw/zinc/67/27/30/1205672730.db2.gz WDDCRZWOXSPFQQ-CVEARBPZSA-N 0 3 382.505 0.914 20 0 GCADHN O=C(CN1c2ccccc2OC(F)(F)C1=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000814109256 1205687029 /nfs/dbraw/zinc/68/70/29/1205687029.db2.gz OQIHEPGYCUHNKU-STQMWFEESA-N 0 3 381.379 0.984 20 0 GCADHN COc1cccc(CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001134117070 1205687778 /nfs/dbraw/zinc/68/77/78/1205687778.db2.gz CPLAUWPJYIKGRC-PILAGYSTSA-N 0 3 375.469 0.973 20 0 GCADHN CN(C/C=C/C(=O)N1CCN(C(=O)CN2CCCC2)CC1)CC(F)(F)F ZINC000815391129 1205703387 /nfs/dbraw/zinc/70/33/87/1205703387.db2.gz JWXYXEBFWBEMGA-SNAWJCMRSA-N 0 3 376.423 0.803 20 0 GCADHN CNC(=O)Oc1cccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000815420195 1205703895 /nfs/dbraw/zinc/70/38/95/1205703895.db2.gz MAWJJNHRLRKWLR-UHFFFAOYSA-N 0 3 378.429 0.570 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc(OC)c1C ZINC000815506637 1205705136 /nfs/dbraw/zinc/70/51/36/1205705136.db2.gz FDXHOORZRSLRHF-LSDHHAIUSA-N 0 3 377.441 0.930 20 0 GCADHN CNC(=O)Oc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000815507238 1205705305 /nfs/dbraw/zinc/70/53/05/1205705305.db2.gz ZWFKWVBIAIFGRE-UKRRQHHQSA-N 0 3 376.413 0.323 20 0 GCADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463977 1205708093 /nfs/dbraw/zinc/70/80/93/1205708093.db2.gz YLMZNPOYNYSFIJ-CYBMUJFWSA-N 0 3 383.395 0.207 20 0 GCADHN C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001171942761 1205710732 /nfs/dbraw/zinc/71/07/32/1205710732.db2.gz LYKUIRCUMBJEAG-DFBGVHRSSA-N 0 3 396.875 0.084 20 0 GCADHN CCOc1ccc([C@@H]2CCCN2C(=O)CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001171943881 1205710849 /nfs/dbraw/zinc/71/08/49/1205710849.db2.gz WHIDGCNPJNNMRJ-BBWFWOEESA-N 0 3 388.468 0.267 20 0 GCADHN O=C1C[C@@H](NCc2cc(N3CCS(=O)(=O)CC3)ccn2)CCN1C1CC1 ZINC001172002701 1205711100 /nfs/dbraw/zinc/71/11/00/1205711100.db2.gz ATYJKTRHOFKAKN-AWEZNQCLSA-N 0 3 378.498 0.559 20 0 GCADHN CN(C)C(=O)CN1CC[C@@]2(CCCN([C@H]3CCN(C4CC4)C(=O)C3)C2)C1=O ZINC001172013036 1205711401 /nfs/dbraw/zinc/71/14/01/1205711401.db2.gz ILWUCTHPMZNQNT-OXJNMPFZSA-N 0 3 376.501 0.543 20 0 GCADHN CCN1CC[C@@H](N2CCN(C(=O)C(C)C)C[C@@]3(CCCC(=O)N3)C2)CC1=O ZINC001172045508 1205712562 /nfs/dbraw/zinc/71/25/62/1205712562.db2.gz YHUXWIVEFGUHBF-OXQOHEQNSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C1C[C@@H]2COC[C@H](C1)N2C ZINC001172139023 1205713013 /nfs/dbraw/zinc/71/30/13/1205713013.db2.gz IMMFIMHBUBHKRM-QBUWPKIASA-N 0 3 388.560 0.869 20 0 GCADHN CC(C)C(=O)N1CCN([C@@H]2CCN3C(=O)CC[C@H]3C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001172176001 1205714022 /nfs/dbraw/zinc/71/40/22/1205714022.db2.gz FHXBDPPPEYYHEA-WWMYMODYSA-N 0 3 390.528 0.979 20 0 GCADHN CN(C)C(=O)COC[C@H]1Cn2nccc2CN([C@H]2CCN3C(=O)CC[C@H]3C2)C1 ZINC001172176357 1205714089 /nfs/dbraw/zinc/71/40/89/1205714089.db2.gz ZSUOBLRQWUDODS-IKGGRYGDSA-N 0 3 389.500 0.573 20 0 GCADHN CN1CCN(C[C@H]2Cn3ccnc3CN([C@@H]3CCN4C(=O)CC[C@@H]4C3)C2)CC1 ZINC001172179854 1205714473 /nfs/dbraw/zinc/71/44/73/1205714473.db2.gz VOAIOXBHZVPGKB-IPMKNSEASA-N 0 3 386.544 0.716 20 0 GCADHN C[C@@H](CCc1c(F)cc(Cl)cc1F)NCC(=O)NCC(=O)NCC(N)=O ZINC001172569039 1205716115 /nfs/dbraw/zinc/71/61/15/1205716115.db2.gz CNCLKUJJXSYSFH-VIFPVBQESA-N 0 3 390.818 0.247 20 0 GCADHN COC(=O)N1CCC(N2Cc3nccn3C[C@@H](CN3CCN(C)CC3)C2)CC1 ZINC001172738873 1205716964 /nfs/dbraw/zinc/71/69/64/1205716964.db2.gz TXFVHZFXTOVNJY-QGZVFWFLSA-N 0 3 390.532 0.793 20 0 GCADHN CC(C)OC(=O)CC[C@H](C)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O ZINC001172752911 1205717627 /nfs/dbraw/zinc/71/76/27/1205717627.db2.gz NQBNITFXEIHTFW-BBRMVZONSA-N 0 3 379.457 0.615 20 0 GCADHN Cc1ccc2c(c1)C[C@H](N[C@H]1[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]1O)CC2 ZINC001172831523 1205717694 /nfs/dbraw/zinc/71/76/94/1205717694.db2.gz NMIUVGNGXNOXGH-POGZOPGASA-N 0 3 387.436 0.024 20 0 GCADHN COC(=O)[C@@H]1CN(C2CCN(CC(=O)OCc3ccccc3)CC2)CCN1C ZINC001173474918 1205721042 /nfs/dbraw/zinc/72/10/42/1205721042.db2.gz VFWLRYNHFJTBIP-IBGZPJMESA-N 0 3 389.496 0.983 20 0 GCADHN COC(=O)[C@H]1C[C@H](N(C)S(=O)(=O)CCN)CCN1C(=O)c1ccccc1 ZINC001173484756 1205721322 /nfs/dbraw/zinc/72/13/22/1205721322.db2.gz BHHKBFMPWOUTNW-HUUCEWRRSA-N 0 3 383.470 0.053 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2CC[C@@H](CO)[C@@H](O)C2)CCN1C(=O)c1ccccc1 ZINC001173496894 1205721407 /nfs/dbraw/zinc/72/14/07/1205721407.db2.gz LJZVYMQMCDTUBU-MHORFTMASA-N 0 3 376.453 0.508 20 0 GCADHN COC(=O)[C@H]1C[C@@H](NCCS(=O)(=O)N(C)C)CCN1C(=O)c1ccccc1 ZINC001173502118 1205721824 /nfs/dbraw/zinc/72/18/24/1205721824.db2.gz NDCJNXNPNFFSTJ-JKSUJKDBSA-N 0 3 397.497 0.314 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]([NH2+]CCCc2c[n-][nH]c2=O)CCN1C(=O)c1ccccc1 ZINC001173489188 1205722266 /nfs/dbraw/zinc/72/22/66/1205722266.db2.gz VCFLGPZPYCXZHD-ULQDDVLXSA-N 0 3 386.452 0.934 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3[C@H](CC2)OCCN3C(C)=O)C[C@@H]1C(=O)OC ZINC001173574523 1205724141 /nfs/dbraw/zinc/72/41/41/1205724141.db2.gz GKCSMVBMSARXMR-UUAJXVIYSA-N 0 3 382.457 0.439 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N2CC[C@H]3OCCN(C(C)=O)[C@H]3CC2)C[C@@H]1C(=O)OC ZINC001173574524 1205724191 /nfs/dbraw/zinc/72/41/91/1205724191.db2.gz GKCSMVBMSARXMR-ZOFXXKQRSA-N 0 3 382.457 0.439 20 0 GCADHN Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCO[C@H](C)C2)c1C ZINC001095251698 1205726519 /nfs/dbraw/zinc/72/65/19/1205726519.db2.gz QVDMRXFARUTWIH-FWYOQMDTSA-N 0 3 375.473 0.609 20 0 GCADHN COc1cc(OC)nc(CN2CCN([C@H]3CCC[C@@H](n4ncnn4)C3)CC2)n1 ZINC001173759044 1205727879 /nfs/dbraw/zinc/72/78/79/1205727879.db2.gz IGRCMCXJMUTZIW-LSDHHAIUSA-N 0 3 388.476 0.782 20 0 GCADHN CN1CCN(C[C@H]2Cn3ccnc3CN([C@@H]3CCC[C@H](n4ncnn4)C3)C2)CC1 ZINC001173760107 1205727984 /nfs/dbraw/zinc/72/79/84/1205727984.db2.gz IBYVOYJGBCCNNF-OTWHNJEPSA-N 0 3 399.547 0.733 20 0 GCADHN Cc1cc(Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)ccn1 ZINC001174653313 1205731521 /nfs/dbraw/zinc/73/15/21/1205731521.db2.gz OWXUIEZMCYFARS-KVQFHVITSA-N 0 3 394.794 0.937 20 0 GCADHN Cn1nc2c(c1C(=O)NC1(CO)CCN(C)CC1)CN(C(=O)OC(C)(C)C)C2 ZINC001174930340 1205732982 /nfs/dbraw/zinc/73/29/82/1205732982.db2.gz QTHTURRJJSWUHW-UHFFFAOYSA-N 0 3 393.488 0.857 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)c1cc3n(n1)CCCN(C)C3)CC2 ZINC001175065368 1205734277 /nfs/dbraw/zinc/73/42/77/1205734277.db2.gz QARQILOUMPISQG-UHFFFAOYSA-N 0 3 388.516 0.535 20 0 GCADHN CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)C1 ZINC001175181957 1205736067 /nfs/dbraw/zinc/73/60/67/1205736067.db2.gz YWGFFOWKRRLKOA-KBMXLJTQSA-N 0 3 381.473 0.967 20 0 GCADHN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)ccc1S(N)(=O)=O ZINC001175179565 1205736098 /nfs/dbraw/zinc/73/60/98/1205736098.db2.gz KAJVYDRVRKRCAY-CVEARBPZSA-N 0 3 381.498 0.750 20 0 GCADHN CN(CCNC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C)CCOCCO ZINC001175821880 1205741713 /nfs/dbraw/zinc/74/17/13/1205741713.db2.gz GXGIBSWMAUBUSU-OAHLLOKOSA-N 0 3 389.493 0.069 20 0 GCADHN COC[C@@H](NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@H]1CCCOC1 ZINC001176200537 1205745297 /nfs/dbraw/zinc/74/52/97/1205745297.db2.gz CUJXRWCIMDMYDR-GOEBONIOSA-N 0 3 397.497 0.254 20 0 GCADHN Cc1[nH]nc(I)c1C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001176542543 1205748267 /nfs/dbraw/zinc/74/82/67/1205748267.db2.gz LRQRPKVXCBNGAX-VHSXEESVSA-N 0 3 390.225 0.604 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccnn21 ZINC001176716999 1205752930 /nfs/dbraw/zinc/75/29/30/1205752930.db2.gz NXZQJLYSTJNRST-HOTGVXAUSA-N 0 3 393.488 0.964 20 0 GCADHN NC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccco1 ZINC001110197051 1205754443 /nfs/dbraw/zinc/75/44/43/1205754443.db2.gz HVIFNXVCRPOMHU-JHNDHUHGSA-N 0 3 379.457 0.534 20 0 GCADHN CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCc4[nH]cnc4C2)CC3)CC1 ZINC001177174909 1205763250 /nfs/dbraw/zinc/76/32/50/1205763250.db2.gz ADPCYJQDULRBIY-OAHLLOKOSA-N 0 3 383.500 0.501 20 0 GCADHN COC(=O)[C@@H](Cc1cncn1C)NC(=O)C1CCN(Cc2ccccn2)CC1 ZINC001177214576 1205763396 /nfs/dbraw/zinc/76/33/96/1205763396.db2.gz NFBOFQFMMVZBKY-GOSISDBHSA-N 0 3 385.468 0.928 20 0 GCADHN C[C@H](CCS(C)(=O)=O)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC001150671400 1205767230 /nfs/dbraw/zinc/76/72/30/1205767230.db2.gz GEVLRGUHZJTUFO-GFCCVEGCSA-N 0 3 382.486 0.857 20 0 GCADHN O=C(COC[C@H]1CCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001110205652 1205768557 /nfs/dbraw/zinc/76/85/57/1205768557.db2.gz YYWOOHKFZYLPQC-BDXSIMOUSA-N 0 3 379.501 0.916 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 ZINC001177394089 1205768958 /nfs/dbraw/zinc/76/89/58/1205768958.db2.gz QKNHRZUNSYUJGT-ROUUACIJSA-N 0 3 397.479 0.607 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CC1CCCCC1)C2 ZINC001110206480 1205769618 /nfs/dbraw/zinc/76/96/18/1205769618.db2.gz SUIVZMYFTXCWHQ-BDXSIMOUSA-N 0 3 381.517 0.802 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)CCC(=O)Nc1nncs1)CC2 ZINC001177444444 1205770670 /nfs/dbraw/zinc/77/06/70/1205770670.db2.gz GFXDMPQGABYPCH-UHFFFAOYSA-N 0 3 394.501 0.460 20 0 GCADHN Nc1cn(C(=O)Cc2csc(NC=O)n2)ccc1=NCCN1CCOCC1 ZINC001178029759 1205781220 /nfs/dbraw/zinc/78/12/20/1205781220.db2.gz SORPVEXAJLSYBU-UHFFFAOYSA-N 0 3 390.469 0.211 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)Cc1csc(NC=O)n1)CC2 ZINC001178031312 1205781246 /nfs/dbraw/zinc/78/12/46/1205781246.db2.gz ICLSDZXNDXNTPP-UHFFFAOYSA-N 0 3 379.486 0.457 20 0 GCADHN CCn1ccc(CNC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)n1 ZINC001178571198 1205789890 /nfs/dbraw/zinc/78/98/90/1205789890.db2.gz KEWRGYNDMLOAJF-INIZCTEOSA-N 0 3 385.516 0.839 20 0 GCADHN CCN1CCC[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1 ZINC001178687122 1205792087 /nfs/dbraw/zinc/79/20/87/1205792087.db2.gz QJZRNXCTSQQBFT-AWEZNQCLSA-N 0 3 396.513 0.385 20 0 GCADHN O=C(CCN1CCOC1=O)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001178780293 1205795023 /nfs/dbraw/zinc/79/50/23/1205795023.db2.gz VKGHWTIDAZSENC-UHFFFAOYSA-N 0 3 385.428 0.542 20 0 GCADHN CCN1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C(C)(C)C1 ZINC001178861072 1205796308 /nfs/dbraw/zinc/79/63/08/1205796308.db2.gz RCQRDIZDEXWXNP-SWLSCSKDSA-N 0 3 396.513 0.299 20 0 GCADHN CCN1C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C(C)(C)C1 ZINC001178861070 1205796424 /nfs/dbraw/zinc/79/64/24/1205796424.db2.gz RCQRDIZDEXWXNP-DOMZBBRYSA-N 0 3 396.513 0.299 20 0 GCADHN CO[C@@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001178947930 1205797171 /nfs/dbraw/zinc/79/71/71/1205797171.db2.gz DAVYDWVDYCBCMC-XUVXKRRUSA-N 0 3 387.528 0.377 20 0 GCADHN CN1CCN(CC(=O)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001178947973 1205797247 /nfs/dbraw/zinc/79/72/47/1205797247.db2.gz DPOWDFWGDLKHPZ-IEBWSBKVSA-N 0 3 376.476 0.737 20 0 GCADHN COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC001179025731 1205798373 /nfs/dbraw/zinc/79/83/73/1205798373.db2.gz VGZSTAQZAVHEMG-GOSISDBHSA-N 0 3 385.468 0.822 20 0 GCADHN COc1ccc(C(=O)CNC(=O)CCC(=O)N2CC(N[C@H]3CCOC3)C2)cc1 ZINC001179008907 1205799298 /nfs/dbraw/zinc/79/92/98/1205799298.db2.gz UQAUSHJNQXPNIS-HNNXBMFYSA-N 0 3 389.452 0.364 20 0 GCADHN CC(=O)N1CCC([NH+]2CCC(C(=O)NCCc3c(C)[n-][nH]c3=O)CC2)CC1 ZINC001179014383 1205799635 /nfs/dbraw/zinc/79/96/35/1205799635.db2.gz FYAOSXSOPRRKTR-UHFFFAOYSA-N 0 3 377.489 0.805 20 0 GCADHN C[C@H]1[C@@H](NCC(=O)NCc2cccnc2)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001179179221 1205803418 /nfs/dbraw/zinc/80/34/18/1205803418.db2.gz MAZKJTHNPBPIIP-VFUXZUBMSA-N 0 3 384.480 0.700 20 0 GCADHN CN1C[C@@H](C(=O)NCc2nnc[nH]2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156826 1205804093 /nfs/dbraw/zinc/80/40/93/1205804093.db2.gz UXNBVPILGUATET-ZDUSSCGKSA-N 0 3 394.476 0.521 20 0 GCADHN Cc1c(C(=O)N[C@H](CO)c2ncc[nH]2)nnn1-c1cccc2c1CCN(C)C2 ZINC001179172210 1205804348 /nfs/dbraw/zinc/80/43/48/1205804348.db2.gz IHZKAMDVQPDBTI-OAHLLOKOSA-N 0 3 381.440 0.750 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001179203918 1205804619 /nfs/dbraw/zinc/80/46/19/1205804619.db2.gz BZXYJDCPDPFAQJ-LIRRHRJNSA-N 0 3 396.488 0.931 20 0 GCADHN C[C@H]1[C@@H](NCC(=O)NC(=O)NC2CC2)CCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001179191320 1205806693 /nfs/dbraw/zinc/80/66/93/1205806693.db2.gz QGMZFEWVOMMWKQ-XWRNYUAZSA-N 0 3 378.473 0.369 20 0 GCADHN CN1CCC(CO)(NC(=O)C2=NO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001179233075 1205806839 /nfs/dbraw/zinc/80/68/39/1205806839.db2.gz GHLYOJCXUFWCLQ-QWHCGFSZSA-N 0 3 382.461 0.181 20 0 GCADHN CN1CCCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001179965664 1205816513 /nfs/dbraw/zinc/81/65/13/1205816513.db2.gz YMODFEPVKUVLSU-CQSZACIVSA-N 0 3 396.513 0.385 20 0 GCADHN CCN(CC)CC(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@@]2(CCNC2=O)C1 ZINC001180385575 1205823212 /nfs/dbraw/zinc/82/32/12/1205823212.db2.gz QKLMWTAVBANKSD-FQEVSTJZSA-N 0 3 394.516 0.914 20 0 GCADHN CCN(CC)CC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001180389615 1205823438 /nfs/dbraw/zinc/82/34/38/1205823438.db2.gz ZZFVTQKMMUVXMO-QGPMSJSTSA-N 0 3 375.473 0.554 20 0 GCADHN CC(C)C(=O)N1CCN(C(=O)[C@H](C)N2CCCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001180579883 1205826126 /nfs/dbraw/zinc/82/61/26/1205826126.db2.gz POYSKXXZORARJK-JXFKEZNVSA-N 0 3 378.517 0.836 20 0 GCADHN CC(C)C(=O)N1CCN(C(=O)[C@@H](C)N2CCCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001180579885 1205826303 /nfs/dbraw/zinc/82/63/03/1205826303.db2.gz POYSKXXZORARJK-OXQOHEQNSA-N 0 3 378.517 0.836 20 0 GCADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H](C)N1CCCC1)C2 ZINC001180578580 1205826316 /nfs/dbraw/zinc/82/63/16/1205826316.db2.gz GQNOZLJNEMPCPY-IIBYNOLFSA-N 0 3 399.495 0.732 20 0 GCADHN CN1CCC(N(Cc2ccc(F)cc2)C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC001180595455 1205828253 /nfs/dbraw/zinc/82/82/53/1205828253.db2.gz ZGUMMJNSSSFYOY-UHFFFAOYSA-N 0 3 397.516 0.979 20 0 GCADHN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)CN(C)C1CCCC1)C2 ZINC001180628525 1205828880 /nfs/dbraw/zinc/82/88/80/1205828880.db2.gz TVNBZCOITHALDQ-HXUWFJFHSA-N 0 3 381.517 0.973 20 0 GCADHN CN(CC(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21)C1CCCC1 ZINC001180627702 1205828933 /nfs/dbraw/zinc/82/89/33/1205828933.db2.gz LEDFMTBMPIMQMW-YQVWRLOYSA-N 0 3 389.500 0.783 20 0 GCADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)[C@H]4CN(C)CCO4)C3)O2)CC1 ZINC001180761094 1205830171 /nfs/dbraw/zinc/83/01/71/1205830171.db2.gz WNLJFHMTTOXLBJ-QWFCFKBJSA-N 0 3 380.533 0.105 20 0 GCADHN CS(=O)(=O)c1ccc(C(=O)CCC(=O)N(c2ncccn2)C2CNC2)cc1 ZINC001180912997 1205835301 /nfs/dbraw/zinc/83/53/01/1205835301.db2.gz YXRXJKHZQNVFDM-UHFFFAOYSA-N 0 3 388.449 0.848 20 0 GCADHN COC(=O)[C@H](CCC(=O)NC1(CO)CCN(C)CC1)NC(=O)OC(C)(C)C ZINC001181118657 1205838792 /nfs/dbraw/zinc/83/87/92/1205838792.db2.gz PCUOZMVXXGDGHK-ZDUSSCGKSA-N 0 3 387.477 0.406 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@H](CC(F)(F)F)NC(C)=O)CC2 ZINC001181331470 1205842369 /nfs/dbraw/zinc/84/23/69/1205842369.db2.gz OBOTYILPLXWWFV-ZDUSSCGKSA-N 0 3 392.422 0.647 20 0 GCADHN CC(=O)N/C(=C/c1cccs1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000817528916 1205850117 /nfs/dbraw/zinc/85/01/17/1205850117.db2.gz JUWCGDWNAWAAIY-GHRIWEEISA-N 0 3 390.509 0.992 20 0 GCADHN CC(=O)N/C(=C\c1cccs1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000817528919 1205850180 /nfs/dbraw/zinc/85/01/80/1205850180.db2.gz JUWCGDWNAWAAIY-LGMDPLHJSA-N 0 3 390.509 0.992 20 0 GCADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000817556306 1205850612 /nfs/dbraw/zinc/85/06/12/1205850612.db2.gz XGXMJWSQHVYMNO-XQQFMLRXSA-N 0 3 389.518 0.947 20 0 GCADHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)C1 ZINC000773950311 1205851370 /nfs/dbraw/zinc/85/13/70/1205851370.db2.gz RYAUYPZCUQLADX-UHFFFAOYSA-N 0 3 399.517 0.104 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)Cn1nc(Cl)ccc1=O)CC2 ZINC001181892284 1205851724 /nfs/dbraw/zinc/85/17/24/1205851724.db2.gz TXAICBHTKURIGD-UHFFFAOYSA-N 0 3 381.864 0.100 20 0 GCADHN CN1CCC(O)(C(=O)N2CCc3nnc(COc4ccccn4)n3CC2)CC1 ZINC001182031045 1205853727 /nfs/dbraw/zinc/85/37/27/1205853727.db2.gz JOUJNXOAWOOVMA-UHFFFAOYSA-N 0 3 386.456 0.094 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)CC1 ZINC001182031085 1205853885 /nfs/dbraw/zinc/85/38/85/1205853885.db2.gz LJITUBCUCHEOMX-HNNXBMFYSA-N 0 3 379.501 0.510 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](NC(=O)C2(O)CCN(C)CC2)CN1C(=O)OC(C)(C)C ZINC001182033726 1205853899 /nfs/dbraw/zinc/85/38/99/1205853899.db2.gz PKXCLQJFARABET-OLZOCXBDSA-N 0 3 385.461 0.110 20 0 GCADHN CN1CCC(O)(C(=O)N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)CC1 ZINC001182032900 1205853995 /nfs/dbraw/zinc/85/39/95/1205853995.db2.gz VXVNLVGRGWJUPD-LJQANCHMSA-N 0 3 391.468 0.570 20 0 GCADHN CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001182032864 1205854029 /nfs/dbraw/zinc/85/40/29/1205854029.db2.gz VLIZCJRSJUMTDX-INIZCTEOSA-N 0 3 381.517 0.613 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@]1(C)CNCC(=O)Nc1cnccn1 ZINC001182150554 1205857878 /nfs/dbraw/zinc/85/78/78/1205857878.db2.gz WNPORFFXYUSNGY-NQIGUMTASA-N 0 3 399.495 0.913 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@@H]2COC(C)(C)CN2C(=O)OC(C)(C)C)CC1 ZINC001182226269 1205861203 /nfs/dbraw/zinc/86/12/03/1205861203.db2.gz JYTPELUBFKBGSV-AWEZNQCLSA-N 0 3 385.505 0.974 20 0 GCADHN O=C(Cn1cccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001110281085 1205865966 /nfs/dbraw/zinc/86/59/66/1205865966.db2.gz DPBWUBVKSSXODM-AHCXZYCDSA-N 0 3 378.473 0.161 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1C[C@@H]1C(N)=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001182383735 1205866914 /nfs/dbraw/zinc/86/69/14/1205866914.db2.gz ZKPVESPGVUJTSI-SOUVJXGZSA-N 0 3 382.505 0.898 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000774283775 1205868817 /nfs/dbraw/zinc/86/88/17/1205868817.db2.gz SPLAYJNVSWXNRW-UKRRQHHQSA-N 0 3 386.452 0.431 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccco1 ZINC001110308672 1205872630 /nfs/dbraw/zinc/87/26/30/1205872630.db2.gz LQPJNOAJLMOYOC-AHCXZYCDSA-N 0 3 379.457 0.357 20 0 GCADHN O=C([C@@H]1CSCC(=O)N1)N1CCC2(CCCN(Cc3cn[nH]c3)C2)CC1 ZINC001273475338 1205874933 /nfs/dbraw/zinc/87/49/33/1205874933.db2.gz YVHRHQVXKWBWRA-HNNXBMFYSA-N 0 3 377.514 0.846 20 0 GCADHN CC(C)N(CC(=O)NC1(CO)CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC001182631373 1205877412 /nfs/dbraw/zinc/87/74/12/1205877412.db2.gz LDMIULFXWQKCBL-UHFFFAOYSA-N 0 3 383.514 0.659 20 0 GCADHN CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N2CC(C)(N(C)C)C2)c(=O)[nH]1 ZINC001182830573 1205880966 /nfs/dbraw/zinc/88/09/66/1205880966.db2.gz LDIPVSHUZRJTJW-UHFFFAOYSA-N 0 3 375.433 0.289 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183002012 1205884620 /nfs/dbraw/zinc/88/46/20/1205884620.db2.gz OVGFEPBATNAIMV-HUUCEWRRSA-N 0 3 382.505 0.912 20 0 GCADHN CN(C)CCN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183002010 1205884727 /nfs/dbraw/zinc/88/47/27/1205884727.db2.gz OVGFEPBATNAIMV-CABCVRRESA-N 0 3 382.505 0.912 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)NC[C@H]3CNC(=O)C3)CC2)C1 ZINC001183157128 1205888764 /nfs/dbraw/zinc/88/87/64/1205888764.db2.gz JKMBKRIXCYDVDA-ZBFHGGJFSA-N 0 3 394.516 0.960 20 0 GCADHN CCC(CO)(CO)NC(=O)C1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183157450 1205888771 /nfs/dbraw/zinc/88/87/71/1205888771.db2.gz LSMPYRLGCKVAPV-INIZCTEOSA-N 0 3 399.532 0.957 20 0 GCADHN CC(C)[C@H](C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1)N(C)C ZINC001183361976 1205891435 /nfs/dbraw/zinc/89/14/35/1205891435.db2.gz DXFJNHAMDMEZFM-POAQFYNOSA-N 0 3 381.517 0.972 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H]1CCCCN1CCO ZINC001183487071 1205892661 /nfs/dbraw/zinc/89/26/61/1205892661.db2.gz TXFMKXMHSPCROU-CQSZACIVSA-N 0 3 375.477 0.219 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H]1CCCCN1CCO ZINC001183487070 1205892775 /nfs/dbraw/zinc/89/27/75/1205892775.db2.gz TXFMKXMHSPCROU-AWEZNQCLSA-N 0 3 375.477 0.219 20 0 GCADHN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)N[C@H]3CCCN(C)C3)=C([C@H]3CCCO3)S[C@H]12 ZINC001183461784 1205893084 /nfs/dbraw/zinc/89/30/84/1205893084.db2.gz HRVWLHUBLNRGCI-YVHNNKAESA-N 0 3 381.498 0.500 20 0 GCADHN CC(C)(C)OC(=O)C1(NC(=O)Cn2cc(F)c(=O)[n-]c2=O)CCC([NH3+])CC1 ZINC001183662306 1205898415 /nfs/dbraw/zinc/89/84/15/1205898415.db2.gz KOLRPOPTVPSTJF-UHFFFAOYSA-N 0 3 384.408 0.186 20 0 GCADHN CC(C)CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001184407132 1205909499 /nfs/dbraw/zinc/90/94/99/1205909499.db2.gz DLQDACXAMLKEJH-QSJFSLAZSA-N 0 3 380.489 0.474 20 0 GCADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)CC(=O)C(F)(F)F)CC2)C1=O ZINC001184464284 1205910977 /nfs/dbraw/zinc/91/09/77/1205910977.db2.gz HMKUGRQRMMNBDN-UHFFFAOYSA-N 0 3 392.422 0.205 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001184458845 1205910982 /nfs/dbraw/zinc/91/09/82/1205910982.db2.gz AZNFWXXDMGNFEZ-UHFFFAOYSA-N 0 3 393.469 0.750 20 0 GCADHN CCOC(=O)c1sc(S(=O)(=O)N2CCO[C@@H](CN(C)C)C2)nc1C ZINC001184932469 1205914310 /nfs/dbraw/zinc/91/43/10/1205914310.db2.gz MMIJRNSIROSFTH-NSHDSACASA-N 0 3 377.488 0.579 20 0 GCADHN CN(C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)c1cnc(Cl)nc1)CCC2 ZINC001185022141 1205915693 /nfs/dbraw/zinc/91/56/93/1205915693.db2.gz CLJQZDOMDIZNSX-UHFFFAOYSA-N 0 3 398.876 0.343 20 0 GCADHN COc1ccccc1OCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000774816104 1205916184 /nfs/dbraw/zinc/91/61/84/1205916184.db2.gz NUNJIECQBQVYNN-LSDHHAIUSA-N 0 3 377.441 0.170 20 0 GCADHN CN1CCN(C)[C@H](C(=O)N(c2nc(N3CCCC3)nc3c2CNCC3)C2CC2)C1 ZINC001185250460 1205918920 /nfs/dbraw/zinc/91/89/20/1205918920.db2.gz GQHRRUHVNUICKW-SFHVURJKSA-N 0 3 399.543 0.464 20 0 GCADHN CO[C@@H]1CCN(C(=O)[C@H]2CN(C)CCN2C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001185252714 1205919562 /nfs/dbraw/zinc/91/95/62/1205919562.db2.gz UCAAJAXKVWYMHB-MTQWCTHYSA-N 0 3 387.528 0.375 20 0 GCADHN COC(=O)c1cccc(CN2CCC(NC(=O)[C@H]3CN(C)CCN3C)CC2)c1 ZINC001185267012 1205920234 /nfs/dbraw/zinc/92/02/34/1205920234.db2.gz KVFRPRQTZYBPHE-LJQANCHMSA-N 0 3 388.512 0.800 20 0 GCADHN COC(=O)c1cccc(CN2CCC(NC(=O)[C@@H]3CN(C)CCN3C)CC2)c1 ZINC001185267011 1205920347 /nfs/dbraw/zinc/92/03/47/1205920347.db2.gz KVFRPRQTZYBPHE-IBGZPJMESA-N 0 3 388.512 0.800 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H]2CN(C(=O)NCC(F)(F)F)C[C@H](C1)O2)N1CCCC1 ZINC001273504829 1205922908 /nfs/dbraw/zinc/92/29/08/1205922908.db2.gz MQWQQNBAHBPVLA-RWMBFGLXSA-N 0 3 378.395 0.654 20 0 GCADHN CC(C)(CNC(=O)C(=O)NCc1ccc(-n2cncn2)nc1)N1CCCCC1 ZINC000774886849 1205923348 /nfs/dbraw/zinc/92/33/48/1205923348.db2.gz BGKFHMDRGUVMPX-UHFFFAOYSA-N 0 3 385.472 0.659 20 0 GCADHN CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001185597429 1205925253 /nfs/dbraw/zinc/92/52/53/1205925253.db2.gz MRTUIPHVPKLRKO-CQSZACIVSA-N 0 3 380.474 0.598 20 0 GCADHN CC[NH+](CC)C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001185597429 1205925255 /nfs/dbraw/zinc/92/52/55/1205925255.db2.gz MRTUIPHVPKLRKO-CQSZACIVSA-N 0 3 380.474 0.598 20 0 GCADHN CC[NH+](CC)C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001185597426 1205925369 /nfs/dbraw/zinc/92/53/69/1205925369.db2.gz MRTUIPHVPKLRKO-AWEZNQCLSA-N 0 3 380.474 0.598 20 0 GCADHN CC[NH+](CC)C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001185597426 1205925370 /nfs/dbraw/zinc/92/53/70/1205925370.db2.gz MRTUIPHVPKLRKO-AWEZNQCLSA-N 0 3 380.474 0.598 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCCC2(C1)OCCO2)Cc1ccccc1 ZINC000774917748 1205928417 /nfs/dbraw/zinc/92/84/17/1205928417.db2.gz IOWSDVNZPRRJPM-QGZVFWFLSA-N 0 3 375.469 0.641 20 0 GCADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)NC(=O)NC1CCCC1 ZINC001185783856 1205928997 /nfs/dbraw/zinc/92/89/97/1205928997.db2.gz JXGMCQBFDQGJDL-FPCVCCKLSA-N 0 3 378.473 0.513 20 0 GCADHN CCOC(=O)N[C@@H](CC(N)=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001185873940 1205930155 /nfs/dbraw/zinc/93/01/55/1205930155.db2.gz DGLTXMWFWDEMOA-INIZCTEOSA-N 0 3 391.472 0.400 20 0 GCADHN Cn1cc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c(C(C)(C)C)n1 ZINC001186277170 1205937200 /nfs/dbraw/zinc/93/72/00/1205937200.db2.gz CWDLCCZQRAUKJI-CYBMUJFWSA-N 0 3 385.534 0.583 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001186277819 1205937337 /nfs/dbraw/zinc/93/73/37/1205937337.db2.gz HRRCNBTXQSENHJ-GJZGRUSLSA-N 0 3 397.497 0.333 20 0 GCADHN CN(C)CCN1CCN(S(=O)(=O)c2ccc3nsnc3c2)CCC1=O ZINC001186251487 1205937513 /nfs/dbraw/zinc/93/75/13/1205937513.db2.gz OASBPPSUVTZXLM-UHFFFAOYSA-N 0 3 383.499 0.476 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]3CCO[C@H]32)CC1 ZINC001186500046 1205940568 /nfs/dbraw/zinc/94/05/68/1205940568.db2.gz AYYPXRVDNBCLMU-ARFHVFGLSA-N 0 3 397.516 0.831 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000775025707 1205940989 /nfs/dbraw/zinc/94/09/89/1205940989.db2.gz CHAMNXYHQRFQJW-HNNXBMFYSA-N 0 3 382.505 0.960 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)Cc2noc(C3CC3)n2)CC1 ZINC001186557749 1205941729 /nfs/dbraw/zinc/94/17/29/1205941729.db2.gz VPUSRGVESNFMLW-UHFFFAOYSA-N 0 3 383.474 0.017 20 0 GCADHN CN1CCC(CO)(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001186585472 1205942408 /nfs/dbraw/zinc/94/24/08/1205942408.db2.gz ULGFZOLYCMHDPU-AWEZNQCLSA-N 0 3 398.504 0.075 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000775037737 1205943416 /nfs/dbraw/zinc/94/34/16/1205943416.db2.gz MHYFBHLDBRHFDI-GJZGRUSLSA-N 0 3 382.505 0.960 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(C)c1 ZINC000775036982 1205943883 /nfs/dbraw/zinc/94/38/83/1205943883.db2.gz ZEGDJXZVKFREDF-RTBURBONSA-N 0 3 388.512 0.917 20 0 GCADHN CN(C)CCn1cc(NC(=O)CCc2nc(-c3ncccn3)no2)ccc1=O ZINC000270222972 1205951107 /nfs/dbraw/zinc/95/11/07/1205951107.db2.gz MVWSZBHLYMWNJL-UHFFFAOYSA-N 0 3 383.412 0.821 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)c1cccc(-n3cnnn3)c1)CC2 ZINC001186957539 1205952829 /nfs/dbraw/zinc/95/28/29/1205952829.db2.gz KAFSJSQBPBHBMQ-UHFFFAOYSA-N 0 3 383.456 0.479 20 0 GCADHN O=C(CNC(=O)c1cccc(-n2cnnn2)c1)N1CCN(C2CCCCC2)CC1 ZINC001186983011 1205953526 /nfs/dbraw/zinc/95/35/26/1205953526.db2.gz ATJHLSXXVZXPFB-UHFFFAOYSA-N 0 3 397.483 0.869 20 0 GCADHN CCOCCS(=O)(=O)N[C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001187296304 1205960214 /nfs/dbraw/zinc/96/02/14/1205960214.db2.gz XXOYCRIIHPJINS-QGZVFWFLSA-N 0 3 397.541 0.757 20 0 GCADHN CCOCCS(=O)(=O)N[C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001187296303 1205960228 /nfs/dbraw/zinc/96/02/28/1205960228.db2.gz XXOYCRIIHPJINS-KRWDZBQOSA-N 0 3 397.541 0.757 20 0 GCADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)C3(C(=O)C4CC4)CC3)CC2)C1=O ZINC001187645855 1205966108 /nfs/dbraw/zinc/96/61/08/1205966108.db2.gz QJSOPQPYICIVTE-UHFFFAOYSA-N 0 3 390.528 0.443 20 0 GCADHN CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001110396014 1205967704 /nfs/dbraw/zinc/96/77/04/1205967704.db2.gz JIIJZQJQGFVUPR-LPWJVIDDSA-N 0 3 381.395 0.174 20 0 GCADHN CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cc1ccc(F)cc1 ZINC001110396190 1205968096 /nfs/dbraw/zinc/96/80/96/1205968096.db2.gz MCBUSIPCVOSDAN-TVFCKZIOSA-N 0 3 377.460 0.977 20 0 GCADHN COCCn1nccc1C(=O)N1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001187869190 1205970350 /nfs/dbraw/zinc/97/03/50/1205970350.db2.gz OKYSVSLSGXORKN-UHFFFAOYSA-N 0 3 385.468 0.779 20 0 GCADHN O=C(NCc1ccc(OC(F)F)cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000775234584 1206001692 /nfs/dbraw/zinc/00/16/92/1206001692.db2.gz RGZYPQFHEFRSBY-UKRRQHHQSA-N 0 3 383.395 0.884 20 0 GCADHN Cc1nn2cccnc2c1S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC001189383454 1206003167 /nfs/dbraw/zinc/00/31/67/1206003167.db2.gz ONBHOTJVVMFQGT-UHFFFAOYSA-N 0 3 380.518 0.684 20 0 GCADHN CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)CCS(N)(=O)=O)C[C@H](C1)O2 ZINC001273580960 1206004591 /nfs/dbraw/zinc/00/45/91/1206004591.db2.gz NCPIRRGSGIRMSA-OAGGEKHMSA-N 0 3 375.535 0.793 20 0 GCADHN O=C(Cc1ccon1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001110407886 1206005246 /nfs/dbraw/zinc/00/52/46/1206005246.db2.gz HNXZHTZVNFQCBH-AHCXZYCDSA-N 0 3 379.457 0.495 20 0 GCADHN Cc1ncsc1CN1CC[C@]2(C1)CCCN(C(=O)CCS(N)(=O)=O)C2 ZINC001273581261 1206006503 /nfs/dbraw/zinc/00/65/03/1206006503.db2.gz ZFUFSYSUFUWLTR-INIZCTEOSA-N 0 3 386.543 0.945 20 0 GCADHN NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccccc1F ZINC001110418397 1206016125 /nfs/dbraw/zinc/01/61/25/1206016125.db2.gz RUSQPHVXVICUFI-SRABZTEZSA-N 0 3 379.432 0.300 20 0 GCADHN CCOC(=O)CNC(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001189920044 1206021096 /nfs/dbraw/zinc/02/10/96/1206021096.db2.gz WOTCGPRXBYBCFG-KGLIPLIRSA-N 0 3 384.477 0.790 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)c1ccc(OC)nc1OC)CC2 ZINC001190243081 1206031478 /nfs/dbraw/zinc/03/14/78/1206031478.db2.gz XKIAJARTNHUZRQ-UHFFFAOYSA-N 0 3 376.457 0.915 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CCN(C)[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001190849148 1206048527 /nfs/dbraw/zinc/04/85/27/1206048527.db2.gz BZJUOMCFYYEWGS-LJQANCHMSA-N 0 3 388.512 0.753 20 0 GCADHN Cn1cncc1CN1C[C@@]2(F)CN(C(=O)c3[nH]ncc3Cl)C[C@@]2(F)C1=O ZINC001273610098 1206049827 /nfs/dbraw/zinc/04/98/27/1206049827.db2.gz IGHWWWLNBLWQDB-HUUCEWRRSA-N 0 3 384.774 0.711 20 0 GCADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCNC(=O)C12CNC2 ZINC001164411671 718877973 /nfs/dbraw/zinc/87/79/73/718877973.db2.gz QVBMHRGDVIUSDW-UHFFFAOYSA-N 0 3 375.763 0.130 20 0 GCADHN CCOC(=O)c1cnc(C(F)(F)N2CCNC[C@@H]2C(=O)OC)nc1Cl ZINC001164624107 719131609 /nfs/dbraw/zinc/13/16/09/719131609.db2.gz TWVULQZQTWNSMC-SECBINFHSA-N 0 3 378.763 0.803 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1ccc(S(=O)(=O)NC)cn1)CC2 ZINC001164690021 719740785 /nfs/dbraw/zinc/74/07/85/719740785.db2.gz PJBJTJMZJYKWMM-UHFFFAOYSA-N 0 3 381.502 0.171 20 0 GCADHN CN(C)C[C@H]1Cn2ccnc2CN(c2cc(Cl)nc(S(C)(=O)=O)n2)C1 ZINC001164727803 720505006 /nfs/dbraw/zinc/50/50/06/720505006.db2.gz DJHQTGJSJWLJIU-NSHDSACASA-N 0 3 384.893 0.928 20 0 GCADHN CN(C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2S(=O)(=O)CC3)C1 ZINC001164736203 720533858 /nfs/dbraw/zinc/53/38/58/720533858.db2.gz VXINSPKTTYFLEV-LLVKDONJSA-N 0 3 396.904 0.854 20 0 GCADHN Cc1nc(-n2cncn2)cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164744013 720798802 /nfs/dbraw/zinc/79/88/02/720798802.db2.gz HECPPXFRQYERNN-CABCVRRESA-N 0 3 379.428 0.498 20 0 GCADHN c1ncn(-c2cncc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)n1 ZINC001164873599 721158738 /nfs/dbraw/zinc/15/87/38/721158738.db2.gz IXARNDSNYMZGTN-DLBZAZTESA-N 0 3 378.440 0.932 20 0 GCADHN NS(=O)(=O)c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164878541 721164670 /nfs/dbraw/zinc/16/46/70/721164670.db2.gz QMBYKBZUYCQXTK-CVEARBPZSA-N 0 3 389.481 0.604 20 0 GCADHN c1cncc(CN2CCOC[C@]3(CN(c4cc5c(nn4)CCNC5)CCO3)C2)c1 ZINC001164916627 721789256 /nfs/dbraw/zinc/78/92/56/721789256.db2.gz RETJAYHVTMYGDK-OAQYLSRUSA-N 0 3 396.495 0.625 20 0 GCADHN Cc1nc(CN2CCOC[C@@]3(CN(c4cc(CN)ncn4)CCO3)C2)cs1 ZINC001164926868 721826100 /nfs/dbraw/zinc/82/61/00/721826100.db2.gz XPEKTNAYJOWIMA-SFHVURJKSA-N 0 3 390.513 0.808 20 0 GCADHN CN1CCN(c2ncnc3c2CCN(c2ncc4c(n2)CCNC4)CC3)CC1 ZINC001164997700 722230812 /nfs/dbraw/zinc/23/08/12/722230812.db2.gz SXFJRJKALIPALK-UHFFFAOYSA-N 0 3 380.500 0.269 20 0 GCADHN O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000738347447 945261665 /nfs/dbraw/zinc/26/16/65/945261665.db2.gz HYBNQNDBFXLBPS-UHFFFAOYSA-N 0 3 389.416 0.912 20 0 GCADHN O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000738347447 945261671 /nfs/dbraw/zinc/26/16/71/945261671.db2.gz HYBNQNDBFXLBPS-UHFFFAOYSA-N 0 3 389.416 0.912 20 0 GCADHN Cn1ncc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)n1 ZINC001571257975 945344018 /nfs/dbraw/zinc/34/40/18/945344018.db2.gz KPPBRNXRNLOBDF-MJHDQNEOSA-N 0 3 385.407 0.433 20 0 GCADHN Cn1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nnn[n-]4)ccc3F)C2)n1 ZINC001571257992 945344097 /nfs/dbraw/zinc/34/40/97/945344097.db2.gz KWOKMIHGMMNVMH-NSHDSACASA-N 0 3 385.407 0.386 20 0 GCADHN Cn1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)n1 ZINC001571257992 945344107 /nfs/dbraw/zinc/34/41/07/945344107.db2.gz KWOKMIHGMMNVMH-NSHDSACASA-N 0 3 385.407 0.386 20 0 GCADHN Cn1ncc(C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nnn[n-]4)ccc3F)C2)n1 ZINC001571257990 945346385 /nfs/dbraw/zinc/34/63/85/945346385.db2.gz KWOKMIHGMMNVMH-LLVKDONJSA-N 0 3 385.407 0.386 20 0 GCADHN Cn1ncc(C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)n1 ZINC001571257990 945346395 /nfs/dbraw/zinc/34/63/95/945346395.db2.gz KWOKMIHGMMNVMH-LLVKDONJSA-N 0 3 385.407 0.386 20 0 GCADHN O=C(Cn1cncn1)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571258586 945359677 /nfs/dbraw/zinc/35/96/77/945359677.db2.gz WPOOVWDYYDYDFH-YEORSEQZSA-N 0 3 385.407 0.282 20 0 GCADHN O=C(Cn1cncn1)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571258586 945359684 /nfs/dbraw/zinc/35/96/84/945359684.db2.gz WPOOVWDYYDYDFH-YEORSEQZSA-N 0 3 385.407 0.282 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)C[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571258867 945367584 /nfs/dbraw/zinc/36/75/84/945367584.db2.gz DGRKSEONLDMPRB-IUODEOHRSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)C[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571258867 945367593 /nfs/dbraw/zinc/36/75/93/945367593.db2.gz DGRKSEONLDMPRB-IUODEOHRSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)C[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571258867 945367604 /nfs/dbraw/zinc/36/76/04/945367604.db2.gz DGRKSEONLDMPRB-IUODEOHRSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)C[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571258867 945367612 /nfs/dbraw/zinc/36/76/12/945367612.db2.gz DGRKSEONLDMPRB-IUODEOHRSA-N 0 3 385.428 0.255 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1COC(=O)N1 ZINC001571260223 945409495 /nfs/dbraw/zinc/40/94/95/945409495.db2.gz YIOWYJWVHDDEED-IUODEOHRSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1COC(=O)N1 ZINC001571260223 945409500 /nfs/dbraw/zinc/40/95/00/945409500.db2.gz YIOWYJWVHDDEED-IUODEOHRSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1COC(=O)N1 ZINC001571260223 945409509 /nfs/dbraw/zinc/40/95/09/945409509.db2.gz YIOWYJWVHDDEED-IUODEOHRSA-N 0 3 385.428 0.303 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1COC(=O)N1 ZINC001571260223 945409516 /nfs/dbraw/zinc/40/95/16/945409516.db2.gz YIOWYJWVHDDEED-IUODEOHRSA-N 0 3 385.428 0.303 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001571264940 945495453 /nfs/dbraw/zinc/49/54/53/945495453.db2.gz BCMZDDMDTLWLMX-TZMCWYRMSA-N 0 3 385.476 0.710 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001571264940 945495458 /nfs/dbraw/zinc/49/54/58/945495458.db2.gz BCMZDDMDTLWLMX-TZMCWYRMSA-N 0 3 385.476 0.710 20 0 GCADHN CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001571265086 945500049 /nfs/dbraw/zinc/50/00/49/945500049.db2.gz BUQBALJWWYMDMG-CYBMUJFWSA-N 0 3 385.476 0.568 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC001571265162 945500925 /nfs/dbraw/zinc/50/09/25/945500925.db2.gz FIKPBROQHDKEFN-CQSZACIVSA-N 0 3 385.476 0.710 20 0 GCADHN CC(C)[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)[NH+](C)C ZINC001571265779 945521131 /nfs/dbraw/zinc/52/11/31/945521131.db2.gz JZUWHADVGZDXHL-DVOMOZLQSA-N 0 3 385.476 0.138 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265913 945524734 /nfs/dbraw/zinc/52/47/34/945524734.db2.gz KUVZKOJDBGGVFI-PIMMBPRGSA-N 0 3 385.476 0.838 20 0 GCADHN CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265913 945524740 /nfs/dbraw/zinc/52/47/40/945524740.db2.gz KUVZKOJDBGGVFI-PIMMBPRGSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571266170 945532971 /nfs/dbraw/zinc/53/29/71/945532971.db2.gz XLCNIKILHORZOC-MCIONIFRSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571266170 945532976 /nfs/dbraw/zinc/53/29/76/945532976.db2.gz XLCNIKILHORZOC-MCIONIFRSA-N 0 3 385.476 0.647 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266220 945533541 /nfs/dbraw/zinc/53/35/41/945533541.db2.gz NVBWAUQVIQEIHL-ZFWWWQNUSA-N 0 3 385.476 0.934 20 0 GCADHN CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266220 945533544 /nfs/dbraw/zinc/53/35/44/945533544.db2.gz NVBWAUQVIQEIHL-ZFWWWQNUSA-N 0 3 385.476 0.934 20 0 GCADHN CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266169 945534868 /nfs/dbraw/zinc/53/48/68/945534868.db2.gz NCWLLVBJIYXRDG-HIFRSBDPSA-N 0 3 385.476 0.568 20 0 GCADHN CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266169 945534873 /nfs/dbraw/zinc/53/48/73/945534873.db2.gz NCWLLVBJIYXRDG-HIFRSBDPSA-N 0 3 385.476 0.568 20 0 GCADHN C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571266261 945537737 /nfs/dbraw/zinc/53/77/37/945537737.db2.gz YOTFODKAYYQSSO-KGLIPLIRSA-N 0 3 385.476 0.792 20 0 GCADHN C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571266261 945537745 /nfs/dbraw/zinc/53/77/45/945537745.db2.gz YOTFODKAYYQSSO-KGLIPLIRSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001571266815 945554992 /nfs/dbraw/zinc/55/49/92/945554992.db2.gz ZPDZNROPEIBPSG-STQMWFEESA-N 0 3 385.476 0.790 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571267115 945561764 /nfs/dbraw/zinc/56/17/64/945561764.db2.gz JPUTZSSYTAOSMR-TXEJJXNPSA-N 0 3 386.391 0.794 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571267115 945561777 /nfs/dbraw/zinc/56/17/77/945561777.db2.gz JPUTZSSYTAOSMR-TXEJJXNPSA-N 0 3 386.391 0.794 20 0 GCADHN O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001571268375 945593906 /nfs/dbraw/zinc/59/39/06/945593906.db2.gz FJYHNPZEDJCTOJ-QLPKVWCKSA-N 0 3 386.431 0.979 20 0 GCADHN O=C([C@H]1[C@@H]2COC[C@@H]21)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571268375 945593913 /nfs/dbraw/zinc/59/39/13/945593913.db2.gz FJYHNPZEDJCTOJ-QLPKVWCKSA-N 0 3 386.431 0.979 20 0 GCADHN Cc1nonc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571268698 945602059 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/nfs/dbraw/zinc/66/18/88/945661888.db2.gz DKOGPVQUCLGWCP-RWMBFGLXSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC[N@H+]1C ZINC001571272420 945661890 /nfs/dbraw/zinc/66/18/90/945661890.db2.gz DKOGPVQUCLGWCP-RWMBFGLXSA-N 0 3 386.460 0.256 20 0 GCADHN O=C(NC1CC(C[NH2+]C[C@@H]2CCNC(=O)CC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571272692 945669662 /nfs/dbraw/zinc/66/96/62/945669662.db2.gz HQLCQQUISUMYGM-DCBWTQNWSA-N 0 3 386.460 0.209 20 0 GCADHN O=C(NC1CC(C[NH2+]C[C@@H]2CCNC(=O)CC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571272692 945669667 /nfs/dbraw/zinc/66/96/67/945669667.db2.gz HQLCQQUISUMYGM-DCBWTQNWSA-N 0 3 386.460 0.209 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571272796 945671684 /nfs/dbraw/zinc/67/16/84/945671684.db2.gz IKYVRGJLPFXZCF-YRGRVCCFSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571272796 945671686 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/nfs/dbraw/zinc/78/44/03/945784403.db2.gz XFNZIOACDKQZGK-CJNGLKHVSA-N 0 3 386.456 0.992 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573448752 945810096 /nfs/dbraw/zinc/81/00/96/945810096.db2.gz LXNAFLMGTYDITH-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573448752 945810103 /nfs/dbraw/zinc/81/01/03/945810103.db2.gz LXNAFLMGTYDITH-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573448761 945810232 /nfs/dbraw/zinc/81/02/32/945810232.db2.gz MISYGGVWULDKMD-BRWVUGGUSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573448761 945810241 /nfs/dbraw/zinc/81/02/41/945810241.db2.gz MISYGGVWULDKMD-BRWVUGGUSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573456582 945895410 /nfs/dbraw/zinc/89/54/10/945895410.db2.gz MGRAJMCWICFXTB-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573456582 945895423 /nfs/dbraw/zinc/89/54/23/945895423.db2.gz MGRAJMCWICFXTB-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CCc1nc(N[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571284189 945896406 /nfs/dbraw/zinc/89/64/06/945896406.db2.gz MNASTFYIIOIWKM-BLLLJJGKSA-N 0 3 387.492 0.818 20 0 GCADHN CCc1nc(N[C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571284349 945900337 /nfs/dbraw/zinc/90/03/37/945900337.db2.gz ODMUBFFWVJPACS-GXTWGEPZSA-N 0 3 387.492 0.962 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571285140 945910391 /nfs/dbraw/zinc/91/03/91/945910391.db2.gz YTKWFMNVBXGNBF-DZGCQCFKSA-N 0 3 387.492 0.588 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573460089 945915468 /nfs/dbraw/zinc/91/54/68/945915468.db2.gz IVJGTDKNJLWXJM-AWEZNQCLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573460089 945915476 /nfs/dbraw/zinc/91/54/76/945915476.db2.gz IVJGTDKNJLWXJM-AWEZNQCLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573461836 945922690 /nfs/dbraw/zinc/92/26/90/945922690.db2.gz RESXTTZPDUMDTF-INIZCTEOSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573461836 945922697 /nfs/dbraw/zinc/92/26/97/945922697.db2.gz RESXTTZPDUMDTF-INIZCTEOSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573462432 945938661 /nfs/dbraw/zinc/93/86/61/945938661.db2.gz JCYUEWNIOQZFPM-UHFFFAOYSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573462968 945949226 /nfs/dbraw/zinc/94/92/26/945949226.db2.gz PWNXEJYBWXZUMX-JTQLQIEISA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573462968 945949232 /nfs/dbraw/zinc/94/92/32/945949232.db2.gz PWNXEJYBWXZUMX-JTQLQIEISA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573463126 945950016 /nfs/dbraw/zinc/95/00/16/945950016.db2.gz QWRLBNGRHOYQFG-UHFFFAOYSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573463126 945950025 /nfs/dbraw/zinc/95/00/25/945950025.db2.gz QWRLBNGRHOYQFG-UHFFFAOYSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573462969 945950289 /nfs/dbraw/zinc/95/02/89/945950289.db2.gz PWNXEJYBWXZUMX-SNVBAGLBSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573462969 945950293 /nfs/dbraw/zinc/95/02/93/945950293.db2.gz PWNXEJYBWXZUMX-SNVBAGLBSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573464547 945966925 /nfs/dbraw/zinc/96/69/25/945966925.db2.gz LZMIUERTSXZKMJ-JTQLQIEISA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573464555 945967125 /nfs/dbraw/zinc/96/71/25/945967125.db2.gz MESJXSWLNIFUPJ-NSHDSACASA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573464555 945967135 /nfs/dbraw/zinc/96/71/35/945967135.db2.gz MESJXSWLNIFUPJ-NSHDSACASA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573464986 945972519 /nfs/dbraw/zinc/97/25/19/945972519.db2.gz UGNFVRNCQLFSDH-OTVXOJSOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573464986 945972530 /nfs/dbraw/zinc/97/25/30/945972530.db2.gz UGNFVRNCQLFSDH-OTVXOJSOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573467923 945986865 /nfs/dbraw/zinc/98/68/65/945986865.db2.gz JHFKVLREVMFDKI-PXAZEXFGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573467923 945986868 /nfs/dbraw/zinc/98/68/68/945986868.db2.gz JHFKVLREVMFDKI-PXAZEXFGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573468061 945988740 /nfs/dbraw/zinc/98/87/40/945988740.db2.gz KPMJLUGBRKJKNK-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573468862 945999361 /nfs/dbraw/zinc/99/93/61/945999361.db2.gz QYKQEVZQCYZQAU-FNBIGBAISA-N 0 3 389.435 0.609 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573468862 945999372 /nfs/dbraw/zinc/99/93/72/945999372.db2.gz QYKQEVZQCYZQAU-FNBIGBAISA-N 0 3 389.435 0.609 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573469883 946011104 /nfs/dbraw/zinc/01/11/04/946011104.db2.gz AAIOHYUOOIVLSU-ABAIWWIYSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573469997 946014124 /nfs/dbraw/zinc/01/41/24/946014124.db2.gz ARTGETLYCHMPML-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573469997 946014138 /nfs/dbraw/zinc/01/41/38/946014138.db2.gz ARTGETLYCHMPML-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573469997 946014148 /nfs/dbraw/zinc/01/41/48/946014148.db2.gz ARTGETLYCHMPML-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573469997 946014156 /nfs/dbraw/zinc/01/41/56/946014156.db2.gz ARTGETLYCHMPML-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470104 946016408 /nfs/dbraw/zinc/01/64/08/946016408.db2.gz BGGMMYFBXNDQND-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573470104 946016419 /nfs/dbraw/zinc/01/64/19/946016419.db2.gz BGGMMYFBXNDQND-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470107 946017823 /nfs/dbraw/zinc/01/78/23/946017823.db2.gz BGGMMYFBXNDQND-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573470107 946017830 /nfs/dbraw/zinc/01/78/30/946017830.db2.gz BGGMMYFBXNDQND-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571289866 946020012 /nfs/dbraw/zinc/02/00/12/946020012.db2.gz OLSUWGLUMUIBCN-BYCMXARLSA-N 0 3 388.451 0.826 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571289866 946020021 /nfs/dbraw/zinc/02/00/21/946020021.db2.gz OLSUWGLUMUIBCN-BYCMXARLSA-N 0 3 388.451 0.826 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571289866 946020031 /nfs/dbraw/zinc/02/00/31/946020031.db2.gz OLSUWGLUMUIBCN-BYCMXARLSA-N 0 3 388.451 0.826 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571289866 946020040 /nfs/dbraw/zinc/02/00/40/946020040.db2.gz OLSUWGLUMUIBCN-BYCMXARLSA-N 0 3 388.451 0.826 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470377 946020971 /nfs/dbraw/zinc/02/09/71/946020971.db2.gz DJKVSMYSCARDHO-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470377 946020984 /nfs/dbraw/zinc/02/09/84/946020984.db2.gz DJKVSMYSCARDHO-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC(C)([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573470340 946021569 /nfs/dbraw/zinc/02/15/69/946021569.db2.gz CXZWPXMOZQLHNQ-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC(C)([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573470340 946021575 /nfs/dbraw/zinc/02/15/75/946021575.db2.gz CXZWPXMOZQLHNQ-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470420 946024390 /nfs/dbraw/zinc/02/43/90/946024390.db2.gz FCPNGFPBXFHPMF-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573470420 946024401 /nfs/dbraw/zinc/02/44/01/946024401.db2.gz FCPNGFPBXFHPMF-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571290140 946033158 /nfs/dbraw/zinc/03/31/58/946033158.db2.gz VYGVROAMAXAOAK-OCCSQVGLSA-N 0 3 388.451 0.780 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571290140 946033166 /nfs/dbraw/zinc/03/31/66/946033166.db2.gz VYGVROAMAXAOAK-OCCSQVGLSA-N 0 3 388.451 0.780 20 0 GCADHN Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1-c1nnn[n-]1 ZINC001571290307 946037716 /nfs/dbraw/zinc/03/77/16/946037716.db2.gz AAHVFPXXNGEDDL-UUIJZJDISA-N 0 3 388.501 0.524 20 0 GCADHN Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@H+](C)C2)c1-c1nnn[n-]1 ZINC001571290307 946037729 /nfs/dbraw/zinc/03/77/29/946037729.db2.gz AAHVFPXXNGEDDL-UUIJZJDISA-N 0 3 388.501 0.524 20 0 GCADHN CO[C@H](C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571290296 946038075 /nfs/dbraw/zinc/03/80/75/946038075.db2.gz ZUKGOFOMJGTGLA-ZIAGYGMSSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571290296 946038084 /nfs/dbraw/zinc/03/80/84/946038084.db2.gz ZUKGOFOMJGTGLA-ZIAGYGMSSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@H](C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571290296 946038095 /nfs/dbraw/zinc/03/80/95/946038095.db2.gz ZUKGOFOMJGTGLA-ZIAGYGMSSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@H](C)C[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571290296 946038105 /nfs/dbraw/zinc/03/81/05/946038105.db2.gz ZUKGOFOMJGTGLA-ZIAGYGMSSA-N 0 3 388.476 0.062 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573471237 946046683 /nfs/dbraw/zinc/04/66/83/946046683.db2.gz NIXZAOIUTDIEKJ-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573471237 946046695 /nfs/dbraw/zinc/04/66/95/946046695.db2.gz NIXZAOIUTDIEKJ-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573471237 946046709 /nfs/dbraw/zinc/04/67/09/946046709.db2.gz NIXZAOIUTDIEKJ-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573471237 946046719 /nfs/dbraw/zinc/04/67/19/946046719.db2.gz NIXZAOIUTDIEKJ-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472190 946059988 /nfs/dbraw/zinc/05/99/88/946059988.db2.gz UNTCGXDOJKYRRH-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472190 946060001 /nfs/dbraw/zinc/06/00/01/946060001.db2.gz UNTCGXDOJKYRRH-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573475185 946099018 /nfs/dbraw/zinc/09/90/18/946099018.db2.gz QEJPUYJIPPMREB-ISTRZQFTSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573475185 946099026 /nfs/dbraw/zinc/09/90/26/946099026.db2.gz QEJPUYJIPPMREB-ISTRZQFTSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573475374 946100566 /nfs/dbraw/zinc/10/05/66/946100566.db2.gz SPOIQICEZFYRDQ-JLZZUVOBSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573475374 946100571 /nfs/dbraw/zinc/10/05/71/946100571.db2.gz SPOIQICEZFYRDQ-JLZZUVOBSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573475374 946100575 /nfs/dbraw/zinc/10/05/75/946100575.db2.gz SPOIQICEZFYRDQ-JLZZUVOBSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573475374 946100579 /nfs/dbraw/zinc/10/05/79/946100579.db2.gz SPOIQICEZFYRDQ-JLZZUVOBSA-N 0 3 383.456 0.282 20 0 GCADHN CN1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571293287 946101229 /nfs/dbraw/zinc/10/12/29/946101229.db2.gz DHRJUDSECIINTN-CJNGLKHVSA-N 0 3 389.435 0.027 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573475545 946101919 /nfs/dbraw/zinc/10/19/19/946101919.db2.gz VDCSJJWWDGJHCU-OHUAYANFSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@](C)(C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573475729 946104773 /nfs/dbraw/zinc/10/47/73/946104773.db2.gz WVYGABMSESSEDS-CWTRNNRKSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@](C)(C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573475729 946104777 /nfs/dbraw/zinc/10/47/77/946104777.db2.gz WVYGABMSESSEDS-CWTRNNRKSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573475803 946106505 /nfs/dbraw/zinc/10/65/05/946106505.db2.gz AZOGNMPKUYMFFU-CZUORRHYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573475803 946106510 /nfs/dbraw/zinc/10/65/10/946106510.db2.gz AZOGNMPKUYMFFU-CZUORRHYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573475803 946106516 /nfs/dbraw/zinc/10/65/16/946106516.db2.gz AZOGNMPKUYMFFU-CZUORRHYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573475803 946106523 /nfs/dbraw/zinc/10/65/23/946106523.db2.gz AZOGNMPKUYMFFU-CZUORRHYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573476187 946113171 /nfs/dbraw/zinc/11/31/71/946113171.db2.gz DDZAOAGJOMSXIP-HWPZZCPQSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573476187 946113186 /nfs/dbraw/zinc/11/31/86/946113186.db2.gz DDZAOAGJOMSXIP-HWPZZCPQSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573477094 946130388 /nfs/dbraw/zinc/13/03/88/946130388.db2.gz MQHIBKIHNAUFBM-QLJPJBMISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573477348 946134927 /nfs/dbraw/zinc/13/49/27/946134927.db2.gz PBQRWCKNGBJXNT-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573477348 946134932 /nfs/dbraw/zinc/13/49/32/946134932.db2.gz PBQRWCKNGBJXNT-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573477348 946134937 /nfs/dbraw/zinc/13/49/37/946134937.db2.gz PBQRWCKNGBJXNT-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573477348 946134942 /nfs/dbraw/zinc/13/49/42/946134942.db2.gz PBQRWCKNGBJXNT-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573479353 946157203 /nfs/dbraw/zinc/15/72/03/946157203.db2.gz BWYFSVLZCQREHN-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573479353 946157207 /nfs/dbraw/zinc/15/72/07/946157207.db2.gz BWYFSVLZCQREHN-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573479353 946157216 /nfs/dbraw/zinc/15/72/16/946157216.db2.gz BWYFSVLZCQREHN-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573479353 946157223 /nfs/dbraw/zinc/15/72/23/946157223.db2.gz BWYFSVLZCQREHN-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573479352 946157239 /nfs/dbraw/zinc/15/72/39/946157239.db2.gz BWYFSVLZCQREHN-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573479352 946157244 /nfs/dbraw/zinc/15/72/44/946157244.db2.gz BWYFSVLZCQREHN-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573479352 946157250 /nfs/dbraw/zinc/15/72/50/946157250.db2.gz BWYFSVLZCQREHN-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573479352 946157258 /nfs/dbraw/zinc/15/72/58/946157258.db2.gz BWYFSVLZCQREHN-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482025 946189770 /nfs/dbraw/zinc/18/97/70/946189770.db2.gz SZLSEMRDLZCUCD-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482025 946189775 /nfs/dbraw/zinc/18/97/75/946189775.db2.gz SZLSEMRDLZCUCD-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571296249 946189802 /nfs/dbraw/zinc/18/98/02/946189802.db2.gz RVQFZWBQPOHSGI-BBRMVZONSA-N 0 3 390.419 0.502 20 0 GCADHN O=C([C@H]1COCCO1)N1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001571296369 946192767 /nfs/dbraw/zinc/19/27/67/946192767.db2.gz VXVUTTXAGHDKQO-MRXNPFEDSA-N 0 3 390.419 0.502 20 0 GCADHN O=C([C@H]1COCCO1)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571296369 946192773 /nfs/dbraw/zinc/19/27/73/946192773.db2.gz VXVUTTXAGHDKQO-MRXNPFEDSA-N 0 3 390.419 0.502 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573482649 946201385 /nfs/dbraw/zinc/20/13/85/946201385.db2.gz ZKKLODIPDANTLR-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573482649 946201391 /nfs/dbraw/zinc/20/13/91/946201391.db2.gz ZKKLODIPDANTLR-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573483389 946209183 /nfs/dbraw/zinc/20/91/83/946209183.db2.gz FQQGLNHRNDQTKW-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573483389 946209195 /nfs/dbraw/zinc/20/91/95/946209195.db2.gz FQQGLNHRNDQTKW-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001573485774 946233764 /nfs/dbraw/zinc/23/37/64/946233764.db2.gz YQSDSYZDBHDTAS-DVOMOZLQSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001573485774 946233773 /nfs/dbraw/zinc/23/37/73/946233773.db2.gz YQSDSYZDBHDTAS-DVOMOZLQSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001573485774 946233780 /nfs/dbraw/zinc/23/37/80/946233780.db2.gz YQSDSYZDBHDTAS-DVOMOZLQSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001573485774 946233788 /nfs/dbraw/zinc/23/37/88/946233788.db2.gz YQSDSYZDBHDTAS-DVOMOZLQSA-N 0 3 385.472 0.575 20 0 GCADHN Cc1nsc(N2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001571300111 946273258 /nfs/dbraw/zinc/27/32/58/946273258.db2.gz VELWYYHHLKWVOZ-KGYLQXTDSA-N 0 3 390.517 0.772 20 0 GCADHN Cc1nsc(N2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001571300111 946273268 /nfs/dbraw/zinc/27/32/68/946273268.db2.gz VELWYYHHLKWVOZ-KGYLQXTDSA-N 0 3 390.517 0.772 20 0 GCADHN O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823171642 946336754 /nfs/dbraw/zinc/33/67/54/946336754.db2.gz YYOOMKFBXHNNBC-IBGZPJMESA-N 0 3 379.424 0.629 20 0 GCADHN O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823171642 946336768 /nfs/dbraw/zinc/33/67/68/946336768.db2.gz YYOOMKFBXHNNBC-IBGZPJMESA-N 0 3 379.424 0.629 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C(C)(C)C1 ZINC001573498924 946363904 /nfs/dbraw/zinc/36/39/04/946363904.db2.gz AVQVUYARCMOREN-HNNXBMFYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573498967 946367228 /nfs/dbraw/zinc/36/72/28/946367228.db2.gz BRWYHGMZVXRKHT-ZUZCIYMTSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H](C)C1 ZINC001573498965 946367477 /nfs/dbraw/zinc/36/74/77/946367477.db2.gz BRWYHGMZVXRKHT-BONVTDFDSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573500967 946376429 /nfs/dbraw/zinc/37/64/29/946376429.db2.gz MBENSKBJCVJJIL-UHFFFAOYSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573500967 946376438 /nfs/dbraw/zinc/37/64/38/946376438.db2.gz MBENSKBJCVJJIL-UHFFFAOYSA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)[C@H](C)C1 ZINC001573500928 946377570 /nfs/dbraw/zinc/37/75/70/946377570.db2.gz LSQRIQBCBFDLTA-IAQYHMDHSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)[C@H](C)C1 ZINC001573500928 946377581 /nfs/dbraw/zinc/37/75/81/946377581.db2.gz LSQRIQBCBFDLTA-IAQYHMDHSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001573501585 946381323 /nfs/dbraw/zinc/38/13/23/946381323.db2.gz RMJIFOJNDFERLW-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001573501585 946381335 /nfs/dbraw/zinc/38/13/35/946381335.db2.gz RMJIFOJNDFERLW-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573502783 946390154 /nfs/dbraw/zinc/39/01/54/946390154.db2.gz YUTPFWRYYTZNDD-UHFFFAOYSA-N 0 3 391.451 0.716 20 0 GCADHN CC(=O)NCC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573502783 946390166 /nfs/dbraw/zinc/39/01/66/946390166.db2.gz YUTPFWRYYTZNDD-UHFFFAOYSA-N 0 3 391.451 0.716 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@H](C)C1 ZINC001573503545 946392649 /nfs/dbraw/zinc/39/26/49/946392649.db2.gz ADXWSNUAYWVBAW-BDJLRTHQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)[C@H](C)C1 ZINC001573503545 946392659 /nfs/dbraw/zinc/39/26/59/946392659.db2.gz ADXWSNUAYWVBAW-BDJLRTHQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573503596 946393418 /nfs/dbraw/zinc/39/34/18/946393418.db2.gz APBSVTKQDMKNDA-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573503596 946393431 /nfs/dbraw/zinc/39/34/31/946393431.db2.gz APBSVTKQDMKNDA-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001573503685 946395929 /nfs/dbraw/zinc/39/59/29/946395929.db2.gz BWFZQXXWKCAPHW-NHYWBVRUSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001573503685 946395935 /nfs/dbraw/zinc/39/59/35/946395935.db2.gz BWFZQXXWKCAPHW-NHYWBVRUSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573504103 946405648 /nfs/dbraw/zinc/40/56/48/946405648.db2.gz FXAUZYJPCRURLF-SFHVURJKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573504103 946405652 /nfs/dbraw/zinc/40/56/52/946405652.db2.gz FXAUZYJPCRURLF-SFHVURJKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573504210 946409193 /nfs/dbraw/zinc/40/91/93/946409193.db2.gz HINDRZAZMHAQJO-BZNIZROVSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573504210 946409202 /nfs/dbraw/zinc/40/92/02/946409202.db2.gz HINDRZAZMHAQJO-BZNIZROVSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573504811 946415244 /nfs/dbraw/zinc/41/52/44/946415244.db2.gz KPULYGGKFGZTAE-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573504811 946415251 /nfs/dbraw/zinc/41/52/51/946415251.db2.gz KPULYGGKFGZTAE-CXAGYDPISA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573505127 946417752 /nfs/dbraw/zinc/41/77/52/946417752.db2.gz KABNRVMJBZZTLB-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573505127 946417760 /nfs/dbraw/zinc/41/77/60/946417760.db2.gz KABNRVMJBZZTLB-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505589 946422379 /nfs/dbraw/zinc/42/23/79/946422379.db2.gz LKRSNBVETSPWBF-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505589 946422384 /nfs/dbraw/zinc/42/23/84/946422384.db2.gz LKRSNBVETSPWBF-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1C ZINC001573506337 946430367 /nfs/dbraw/zinc/43/03/67/946430367.db2.gz QXYASKBQMMAZOO-BONVTDFDSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573506768 946436504 /nfs/dbraw/zinc/43/65/04/946436504.db2.gz SZXYGISDWKFXNM-SFHVURJKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573506768 946436508 /nfs/dbraw/zinc/43/65/08/946436508.db2.gz SZXYGISDWKFXNM-SFHVURJKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H]1C ZINC001573506834 946439222 /nfs/dbraw/zinc/43/92/22/946439222.db2.gz UOIFZBOJRLMSPL-BONVTDFDSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573507738 946450480 /nfs/dbraw/zinc/45/04/80/946450480.db2.gz XMVYGJUPZBBYOG-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573507738 946450492 /nfs/dbraw/zinc/45/04/92/946450492.db2.gz XMVYGJUPZBBYOG-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC[C@@H]2C1 ZINC001573510298 946476383 /nfs/dbraw/zinc/47/63/83/946476383.db2.gz DQCUNVXRWSNXHJ-SJORKVTESA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC[C@@H]2C1 ZINC001573510298 946476388 /nfs/dbraw/zinc/47/63/88/946476388.db2.gz DQCUNVXRWSNXHJ-SJORKVTESA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC[C@@H]2C1 ZINC001573510298 946476396 /nfs/dbraw/zinc/47/63/96/946476396.db2.gz DQCUNVXRWSNXHJ-SJORKVTESA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC[C@@H]2C1 ZINC001573510298 946476402 /nfs/dbraw/zinc/47/64/02/946476402.db2.gz DQCUNVXRWSNXHJ-SJORKVTESA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573511328 946483953 /nfs/dbraw/zinc/48/39/53/946483953.db2.gz OGMSCLBXHIFGJR-HNNXBMFYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573511328 946483960 /nfs/dbraw/zinc/48/39/60/946483960.db2.gz OGMSCLBXHIFGJR-HNNXBMFYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)CC(C)C ZINC001573511447 946485150 /nfs/dbraw/zinc/48/51/50/946485150.db2.gz QKXXTOYHNUJFCB-CQSZACIVSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573511502 946487508 /nfs/dbraw/zinc/48/75/08/946487508.db2.gz AWGNEQJCNXIPAR-WFASDCNBSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573511502 946487516 /nfs/dbraw/zinc/48/75/16/946487516.db2.gz AWGNEQJCNXIPAR-WFASDCNBSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC001573512169 946495066 /nfs/dbraw/zinc/49/50/66/946495066.db2.gz VGIZXBWWYHFYST-KRWDZBQOSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC001573512169 946495070 /nfs/dbraw/zinc/49/50/70/946495070.db2.gz VGIZXBWWYHFYST-KRWDZBQOSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573512194 946495785 /nfs/dbraw/zinc/49/57/85/946495785.db2.gz VTSIPEBDGZXVNZ-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573512194 946495790 /nfs/dbraw/zinc/49/57/90/946495790.db2.gz VTSIPEBDGZXVNZ-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573512196 946495838 /nfs/dbraw/zinc/49/58/38/946495838.db2.gz VTSIPEBDGZXVNZ-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573512196 946495847 /nfs/dbraw/zinc/49/58/47/946495847.db2.gz VTSIPEBDGZXVNZ-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C12CCC2 ZINC001573512892 946505473 /nfs/dbraw/zinc/50/54/73/946505473.db2.gz JEDLXOXRCHGGSE-JKSUJKDBSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C12CCC2 ZINC001573512892 946505477 /nfs/dbraw/zinc/50/54/77/946505477.db2.gz JEDLXOXRCHGGSE-JKSUJKDBSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C12CCC2 ZINC001573512886 946505923 /nfs/dbraw/zinc/50/59/23/946505923.db2.gz JEDLXOXRCHGGSE-CVEARBPZSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C12CCC2 ZINC001573512886 946505931 /nfs/dbraw/zinc/50/59/31/946505931.db2.gz JEDLXOXRCHGGSE-CVEARBPZSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573513720 946515422 /nfs/dbraw/zinc/51/54/22/946515422.db2.gz POHFPCUMKRZZEQ-NVXWUHKLSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573513720 946515432 /nfs/dbraw/zinc/51/54/32/946515432.db2.gz POHFPCUMKRZZEQ-NVXWUHKLSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC12CC[NH+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573514326 946524748 /nfs/dbraw/zinc/52/47/48/946524748.db2.gz XFXIZOKTGMKZBF-INIZCTEOSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC12CC[NH+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573514326 946524760 /nfs/dbraw/zinc/52/47/60/946524760.db2.gz XFXIZOKTGMKZBF-INIZCTEOSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573514536 946530623 /nfs/dbraw/zinc/53/06/23/946530623.db2.gz ZQJWJKKCPYLCDK-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573514536 946530627 /nfs/dbraw/zinc/53/06/27/946530627.db2.gz ZQJWJKKCPYLCDK-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573514536 946530631 /nfs/dbraw/zinc/53/06/31/946530631.db2.gz ZQJWJKKCPYLCDK-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573514536 946530633 /nfs/dbraw/zinc/53/06/33/946530633.db2.gz ZQJWJKKCPYLCDK-APWZRJJASA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573514558 946530645 /nfs/dbraw/zinc/53/06/45/946530645.db2.gz ZWVZHGGVORKVNE-OCCSQVGLSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573514558 946530650 /nfs/dbraw/zinc/53/06/50/946530650.db2.gz ZWVZHGGVORKVNE-OCCSQVGLSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573515462 946545472 /nfs/dbraw/zinc/54/54/72/946545472.db2.gz MRLWYVNYJQKYIP-OAHLLOKOSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001573515462 946545483 /nfs/dbraw/zinc/54/54/83/946545483.db2.gz MRLWYVNYJQKYIP-OAHLLOKOSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573515461 946546078 /nfs/dbraw/zinc/54/60/78/946546078.db2.gz MRLWYVNYJQKYIP-HNNXBMFYSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001573515461 946546084 /nfs/dbraw/zinc/54/60/84/946546084.db2.gz MRLWYVNYJQKYIP-HNNXBMFYSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573516019 946556438 /nfs/dbraw/zinc/55/64/38/946556438.db2.gz UMOZSXKABTVULO-HNNXBMFYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001573516019 946556451 /nfs/dbraw/zinc/55/64/51/946556451.db2.gz UMOZSXKABTVULO-HNNXBMFYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NCC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573517667 946579940 /nfs/dbraw/zinc/57/99/40/946579940.db2.gz PDPACNZVRSRCOA-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NCC1(C)CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573517667 946579948 /nfs/dbraw/zinc/57/99/48/946579948.db2.gz PDPACNZVRSRCOA-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)C(C)C ZINC001573521449 946607179 /nfs/dbraw/zinc/60/71/79/946607179.db2.gz WKSLIZOWMPSBNY-MRXNPFEDSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]([NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)C(C)C ZINC001573521449 946607183 /nfs/dbraw/zinc/60/71/83/946607183.db2.gz WKSLIZOWMPSBNY-MRXNPFEDSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573521809 946613536 /nfs/dbraw/zinc/61/35/36/946613536.db2.gz HZJSSFAVVWEGBS-JOCQHMNTSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573521809 946613542 /nfs/dbraw/zinc/61/35/42/946613542.db2.gz HZJSSFAVVWEGBS-JOCQHMNTSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001571317694 946619913 /nfs/dbraw/zinc/61/99/13/946619913.db2.gz RGJJHXZLDBQRMB-LALPHHSUSA-N 0 3 392.485 0.236 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573522437 946627708 /nfs/dbraw/zinc/62/77/08/946627708.db2.gz FTUJPOUCOUIANP-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573522437 946627721 /nfs/dbraw/zinc/62/77/21/946627721.db2.gz FTUJPOUCOUIANP-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)S(C)(=O)=O ZINC000824426305 946703830 /nfs/dbraw/zinc/70/38/30/946703830.db2.gz CXZGYRKYDJRSKM-CYBMUJFWSA-N 0 3 378.502 0.854 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573537075 946742447 /nfs/dbraw/zinc/74/24/47/946742447.db2.gz GMUQOUZLXQSAGT-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573537075 946742451 /nfs/dbraw/zinc/74/24/51/946742451.db2.gz GMUQOUZLXQSAGT-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573537075 946742453 /nfs/dbraw/zinc/74/24/53/946742453.db2.gz GMUQOUZLXQSAGT-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573537075 946742458 /nfs/dbraw/zinc/74/24/58/946742458.db2.gz GMUQOUZLXQSAGT-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573536849 946742710 /nfs/dbraw/zinc/74/27/10/946742710.db2.gz FSKXUCNASBIMET-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573538073 946763976 /nfs/dbraw/zinc/76/39/76/946763976.db2.gz VWXFSRUFIDQLRP-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573538073 946763982 /nfs/dbraw/zinc/76/39/82/946763982.db2.gz VWXFSRUFIDQLRP-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@H](CC(C)C)C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573540601 946778687 /nfs/dbraw/zinc/77/86/87/946778687.db2.gz HTEBEEYXJLWNSE-MRXNPFEDSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)N[C@H](CC(C)C)C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573540601 946778696 /nfs/dbraw/zinc/77/86/96/946778696.db2.gz HTEBEEYXJLWNSE-MRXNPFEDSA-N 0 3 391.451 0.762 20 0 GCADHN C[C@@H](C(=O)N(C)C)[N@H+](C)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573592869 947350924 /nfs/dbraw/zinc/35/09/24/947350924.db2.gz GJKYZVUYTGPVIO-LBPRGKRZSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@@H](C(=O)N(C)C)[N@@H+](C)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573592869 947350934 /nfs/dbraw/zinc/35/09/34/947350934.db2.gz GJKYZVUYTGPVIO-LBPRGKRZSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573593298 947366527 /nfs/dbraw/zinc/36/65/27/947366527.db2.gz JPTALWPJAMAFIE-UWTIGNOOSA-N 0 3 381.444 0.798 20 0 GCADHN C[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573593298 947366540 /nfs/dbraw/zinc/36/65/40/947366540.db2.gz JPTALWPJAMAFIE-UWTIGNOOSA-N 0 3 381.444 0.798 20 0 GCADHN C[N@H+](CCO)C1CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000825942090 947382682 /nfs/dbraw/zinc/38/26/82/947382682.db2.gz VTFJQCYNUHZGKK-GOSISDBHSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000825942090 947382695 /nfs/dbraw/zinc/38/26/95/947382695.db2.gz VTFJQCYNUHZGKK-GOSISDBHSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@H+](CCO)C1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000825942090 947382704 /nfs/dbraw/zinc/38/27/04/947382704.db2.gz VTFJQCYNUHZGKK-GOSISDBHSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000825942090 947382714 /nfs/dbraw/zinc/38/27/14/947382714.db2.gz VTFJQCYNUHZGKK-GOSISDBHSA-N 0 3 399.499 0.751 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC001573594653 947403561 /nfs/dbraw/zinc/40/35/61/947403561.db2.gz BVPOQGCLAHFUNU-CZUORRHYSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC001573594653 947403569 /nfs/dbraw/zinc/40/35/69/947403569.db2.gz BVPOQGCLAHFUNU-CZUORRHYSA-N 0 3 384.444 0.233 20 0 GCADHN C[N@H+]1CC=C(CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000826017312 947404366 /nfs/dbraw/zinc/40/43/66/947404366.db2.gz LABRZNUPZCOSBE-UHFFFAOYSA-N 0 3 397.487 0.792 20 0 GCADHN C[N@@H+]1CC=C(CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000826017312 947404373 /nfs/dbraw/zinc/40/43/73/947404373.db2.gz LABRZNUPZCOSBE-UHFFFAOYSA-N 0 3 397.487 0.792 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC001573597283 947434090 /nfs/dbraw/zinc/43/40/90/947434090.db2.gz MRZPHQMQAAJTEG-PBHICJAKSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC001573597283 947434097 /nfs/dbraw/zinc/43/40/97/947434097.db2.gz MRZPHQMQAAJTEG-PBHICJAKSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573599232 947452280 /nfs/dbraw/zinc/45/22/80/947452280.db2.gz WFMPLTCQCSQQCF-SMDDNHRTSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573599232 947452288 /nfs/dbraw/zinc/45/22/88/947452288.db2.gz WFMPLTCQCSQQCF-SMDDNHRTSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573599229 947453099 /nfs/dbraw/zinc/45/30/99/947453099.db2.gz WFMPLTCQCSQQCF-BXUZGUMPSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573599229 947453101 /nfs/dbraw/zinc/45/31/01/947453101.db2.gz WFMPLTCQCSQQCF-BXUZGUMPSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@@H](C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCCCC1 ZINC001573607286 947544975 /nfs/dbraw/zinc/54/49/75/947544975.db2.gz IZGBDQSBXVKAPY-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573613910 947572808 /nfs/dbraw/zinc/57/28/08/947572808.db2.gz BOCCGBYPBJPVEE-JSGCOSHPSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573613910 947572815 /nfs/dbraw/zinc/57/28/15/947572815.db2.gz BOCCGBYPBJPVEE-JSGCOSHPSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573613909 947572974 /nfs/dbraw/zinc/57/29/74/947572974.db2.gz BOCCGBYPBJPVEE-GXTWGEPZSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573613909 947572978 /nfs/dbraw/zinc/57/29/78/947572978.db2.gz BOCCGBYPBJPVEE-GXTWGEPZSA-N 0 3 392.485 0.238 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1-c1nnn[n-]1 ZINC000826203014 947603644 /nfs/dbraw/zinc/60/36/44/947603644.db2.gz WGPSTJSSXAHRGU-GUYCJALGSA-N 0 3 393.469 0.701 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1-c1nn[n-]n1 ZINC000826203014 947603650 /nfs/dbraw/zinc/60/36/50/947603650.db2.gz WGPSTJSSXAHRGU-GUYCJALGSA-N 0 3 393.469 0.701 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573616293 947621623 /nfs/dbraw/zinc/62/16/23/947621623.db2.gz MPZBUTVPJHSHGH-OLZOCXBDSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573616293 947621630 /nfs/dbraw/zinc/62/16/30/947621630.db2.gz MPZBUTVPJHSHGH-OLZOCXBDSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573618427 947650606 /nfs/dbraw/zinc/65/06/06/947650606.db2.gz QWSVHGPZBMLHJM-FZMZJTMJSA-N 0 3 385.407 0.549 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573618427 947650614 /nfs/dbraw/zinc/65/06/14/947650614.db2.gz QWSVHGPZBMLHJM-FZMZJTMJSA-N 0 3 385.407 0.549 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000826250905 947727841 /nfs/dbraw/zinc/72/78/41/947727841.db2.gz YLIMZNPWVVONRR-UHFFFAOYSA-N 0 3 397.443 0.302 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573632047 947808832 /nfs/dbraw/zinc/80/88/32/947808832.db2.gz YHQLUKPTLAMDDJ-HIFRSBDPSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573632047 947808844 /nfs/dbraw/zinc/80/88/44/947808844.db2.gz YHQLUKPTLAMDDJ-HIFRSBDPSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573647369 947892443 /nfs/dbraw/zinc/89/24/43/947892443.db2.gz IZQQYGQZXYEXBL-XJKCOSOUSA-N 0 3 381.444 0.656 20 0 GCADHN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573647369 947892452 /nfs/dbraw/zinc/89/24/52/947892452.db2.gz IZQQYGQZXYEXBL-XJKCOSOUSA-N 0 3 381.444 0.656 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573388116 947914679 /nfs/dbraw/zinc/91/46/79/947914679.db2.gz IDKWMKFWSYVKLV-BDJLRTHQSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573388116 947914687 /nfs/dbraw/zinc/91/46/87/947914687.db2.gz IDKWMKFWSYVKLV-BDJLRTHQSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573388359 947918730 /nfs/dbraw/zinc/91/87/30/947918730.db2.gz LKDVGJNNBQNSIK-UHFFFAOYSA-N 0 3 391.451 0.764 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573388359 947918736 /nfs/dbraw/zinc/91/87/36/947918736.db2.gz LKDVGJNNBQNSIK-UHFFFAOYSA-N 0 3 391.451 0.764 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573388359 947918743 /nfs/dbraw/zinc/91/87/43/947918743.db2.gz LKDVGJNNBQNSIK-UHFFFAOYSA-N 0 3 391.451 0.764 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573388359 947918752 /nfs/dbraw/zinc/91/87/52/947918752.db2.gz LKDVGJNNBQNSIK-UHFFFAOYSA-N 0 3 391.451 0.764 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573389000 947922575 /nfs/dbraw/zinc/92/25/75/947922575.db2.gz OWCLVISTTJMNEP-XJKSGUPXSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573389000 947922580 /nfs/dbraw/zinc/92/25/80/947922580.db2.gz OWCLVISTTJMNEP-XJKSGUPXSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573389106 947924547 /nfs/dbraw/zinc/92/45/47/947924547.db2.gz QCEKDDLXWSEWTL-RISCZKNCSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573389106 947924550 /nfs/dbraw/zinc/92/45/50/947924550.db2.gz QCEKDDLXWSEWTL-RISCZKNCSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573391785 947937751 /nfs/dbraw/zinc/93/77/51/947937751.db2.gz KMQWOIXXJAXQTO-OAHLLOKOSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573391785 947937761 /nfs/dbraw/zinc/93/77/61/947937761.db2.gz KMQWOIXXJAXQTO-OAHLLOKOSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573391821 947938400 /nfs/dbraw/zinc/93/84/00/947938400.db2.gz LZRRZKCXHWVJTP-CQSZACIVSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573391821 947938406 /nfs/dbraw/zinc/93/84/06/947938406.db2.gz LZRRZKCXHWVJTP-CQSZACIVSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573393982 947962000 /nfs/dbraw/zinc/96/20/00/947962000.db2.gz RLGOZFVLYJLMSW-SUMWQHHRSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573393982 947962007 /nfs/dbraw/zinc/96/20/07/947962007.db2.gz RLGOZFVLYJLMSW-SUMWQHHRSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573393974 947962050 /nfs/dbraw/zinc/96/20/50/947962050.db2.gz RLGOZFVLYJLMSW-CXAGYDPISA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573393974 947962057 /nfs/dbraw/zinc/96/20/57/947962057.db2.gz RLGOZFVLYJLMSW-CXAGYDPISA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573395715 947972063 /nfs/dbraw/zinc/97/20/63/947972063.db2.gz ZYOKPCOQAOXYKS-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573395715 947972069 /nfs/dbraw/zinc/97/20/69/947972069.db2.gz ZYOKPCOQAOXYKS-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573398694 947983752 /nfs/dbraw/zinc/98/37/52/947983752.db2.gz OSHMLGUJLWZNKI-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573398896 947986809 /nfs/dbraw/zinc/98/68/09/947986809.db2.gz QDKRJJNQYQMAFW-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)N(C)CC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573398896 947986816 /nfs/dbraw/zinc/98/68/16/947986816.db2.gz QDKRJJNQYQMAFW-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573399087 947987668 /nfs/dbraw/zinc/98/76/68/947987668.db2.gz SPVLEWRQURHUEE-VXGBXAGGSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573399087 947987675 /nfs/dbraw/zinc/98/76/75/947987675.db2.gz SPVLEWRQURHUEE-VXGBXAGGSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573399078 947988621 /nfs/dbraw/zinc/98/86/21/947988621.db2.gz SPVLEWRQURHUEE-NEPJUHHUSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573399078 947988630 /nfs/dbraw/zinc/98/86/30/947988630.db2.gz SPVLEWRQURHUEE-NEPJUHHUSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573402841 948007275 /nfs/dbraw/zinc/00/72/75/948007275.db2.gz JLJNHGUZNXAVPQ-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573402841 948007282 /nfs/dbraw/zinc/00/72/82/948007282.db2.gz JLJNHGUZNXAVPQ-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573403097 948008366 /nfs/dbraw/zinc/00/83/66/948008366.db2.gz LKFRBAAQYFGUKR-LLVKDONJSA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573403097 948008372 /nfs/dbraw/zinc/00/83/72/948008372.db2.gz LKFRBAAQYFGUKR-LLVKDONJSA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573403409 948009917 /nfs/dbraw/zinc/00/99/17/948009917.db2.gz MDUUVIQDQBYSGX-NVXWUHKLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573403409 948009923 /nfs/dbraw/zinc/00/99/23/948009923.db2.gz MDUUVIQDQBYSGX-NVXWUHKLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573404310 948020065 /nfs/dbraw/zinc/02/00/65/948020065.db2.gz RPFGBAJWHQBLFU-SJORKVTESA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573404310 948020072 /nfs/dbraw/zinc/02/00/72/948020072.db2.gz RPFGBAJWHQBLFU-SJORKVTESA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573662804 948030690 /nfs/dbraw/zinc/03/06/90/948030690.db2.gz GXNJQGMJAZNICD-DCBWTQNWSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573662804 948030699 /nfs/dbraw/zinc/03/06/99/948030699.db2.gz GXNJQGMJAZNICD-DCBWTQNWSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573405329 948041575 /nfs/dbraw/zinc/04/15/75/948041575.db2.gz PGZPGVMMTNCNBP-AWEZNQCLSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573405329 948041581 /nfs/dbraw/zinc/04/15/81/948041581.db2.gz PGZPGVMMTNCNBP-AWEZNQCLSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573405524 948044467 /nfs/dbraw/zinc/04/44/67/948044467.db2.gz SNAVKNOSWHICJW-UHFFFAOYSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573405761 948046573 /nfs/dbraw/zinc/04/65/73/948046573.db2.gz WBLBEAFYQVDYLJ-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573405761 948046582 /nfs/dbraw/zinc/04/65/82/948046582.db2.gz WBLBEAFYQVDYLJ-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573405761 948046588 /nfs/dbraw/zinc/04/65/88/948046588.db2.gz WBLBEAFYQVDYLJ-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN Cc1onc(CC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1-c1nnn[n-]1 ZINC000826346837 948046691 /nfs/dbraw/zinc/04/66/91/948046691.db2.gz WVPQMKPMLBPWOZ-UHFFFAOYSA-N 0 3 388.476 0.380 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573405761 948046593 /nfs/dbraw/zinc/04/65/93/948046593.db2.gz WBLBEAFYQVDYLJ-OSYLJGHBSA-N 0 3 383.456 0.139 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573406372 948050527 /nfs/dbraw/zinc/05/05/27/948050527.db2.gz BYUIYNBOEKINDC-OKILXGFUSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573406372 948050532 /nfs/dbraw/zinc/05/05/32/948050532.db2.gz BYUIYNBOEKINDC-OKILXGFUSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573406599 948054727 /nfs/dbraw/zinc/05/47/27/948054727.db2.gz NHYRYHCKWKNMPU-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573406599 948054733 /nfs/dbraw/zinc/05/47/33/948054733.db2.gz NHYRYHCKWKNMPU-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573406599 948054740 /nfs/dbraw/zinc/05/47/40/948054740.db2.gz NHYRYHCKWKNMPU-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573406599 948054748 /nfs/dbraw/zinc/05/47/48/948054748.db2.gz NHYRYHCKWKNMPU-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573406735 948055130 /nfs/dbraw/zinc/05/51/30/948055130.db2.gz PHQXBJCXDALJGL-QAQDUYKDSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573406735 948055139 /nfs/dbraw/zinc/05/51/39/948055139.db2.gz PHQXBJCXDALJGL-QAQDUYKDSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573415189 948104192 /nfs/dbraw/zinc/10/41/92/948104192.db2.gz WJVKPFYIIOVUJS-QGZVFWFLSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573415189 948104201 /nfs/dbraw/zinc/10/42/01/948104201.db2.gz WJVKPFYIIOVUJS-QGZVFWFLSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573415663 948112160 /nfs/dbraw/zinc/11/21/60/948112160.db2.gz ZZAYHPCNIAIFHP-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573415663 948112168 /nfs/dbraw/zinc/11/21/68/948112168.db2.gz ZZAYHPCNIAIFHP-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573423137 948143818 /nfs/dbraw/zinc/14/38/18/948143818.db2.gz NXWPNPDESUFAIO-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573423137 948143824 /nfs/dbraw/zinc/14/38/24/948143824.db2.gz NXWPNPDESUFAIO-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573678356 948148461 /nfs/dbraw/zinc/14/84/61/948148461.db2.gz CZKCKIGQJVMIGX-WCQYABFASA-N 0 3 388.403 0.969 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573424368 948148904 /nfs/dbraw/zinc/14/89/04/948148904.db2.gz YWYUPEQYVSELEK-SAZUREKKSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573424368 948148909 /nfs/dbraw/zinc/14/89/09/948148909.db2.gz YWYUPEQYVSELEK-SAZUREKKSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001573424281 948149891 /nfs/dbraw/zinc/14/98/91/948149891.db2.gz XIOYKQQCEPWMGM-QGZVFWFLSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001573424281 948149895 /nfs/dbraw/zinc/14/98/95/948149895.db2.gz XIOYKQQCEPWMGM-QGZVFWFLSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573425989 948154564 /nfs/dbraw/zinc/15/45/64/948154564.db2.gz GEPSOVCEGUOORK-OKILXGFUSA-N 0 3 387.419 0.221 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001573425989 948154569 /nfs/dbraw/zinc/15/45/69/948154569.db2.gz GEPSOVCEGUOORK-OKILXGFUSA-N 0 3 387.419 0.221 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)CNCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573426888 948160087 /nfs/dbraw/zinc/16/00/87/948160087.db2.gz QCIIWEOMIQNDTG-SNVBAGLBSA-N 0 3 375.408 0.078 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573679223 948160172 /nfs/dbraw/zinc/16/01/72/948160172.db2.gz JZGZIKNNAHBYGO-KBPBESRZSA-N 0 3 387.492 0.862 20 0 GCADHN CC(=O)N1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573428772 948167106 /nfs/dbraw/zinc/16/71/06/948167106.db2.gz BGIKWAZCICHYDM-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573431017 948178779 /nfs/dbraw/zinc/17/87/79/948178779.db2.gz UHFDJKXSHDUWNJ-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573431017 948178784 /nfs/dbraw/zinc/17/87/84/948178784.db2.gz UHFDJKXSHDUWNJ-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573434641 948218178 /nfs/dbraw/zinc/21/81/78/948218178.db2.gz RUSFTUAMXYNXTP-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573435457 948229803 /nfs/dbraw/zinc/22/98/03/948229803.db2.gz WYQWNAUCIQJQSU-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573435457 948229810 /nfs/dbraw/zinc/22/98/10/948229810.db2.gz WYQWNAUCIQJQSU-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573691870 948249441 /nfs/dbraw/zinc/24/94/41/948249441.db2.gz KOGHNGPTCLKTML-WCQYABFASA-N 0 3 388.407 0.030 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573691870 948249454 /nfs/dbraw/zinc/24/94/54/948249454.db2.gz KOGHNGPTCLKTML-WCQYABFASA-N 0 3 388.407 0.030 20 0 GCADHN C[C@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCC1)n1cncn1 ZINC001573693026 948275366 /nfs/dbraw/zinc/27/53/66/948275366.db2.gz URFIWSITNYFRNP-CYBMUJFWSA-N 0 3 381.444 0.848 20 0 GCADHN C[C@H](C(=O)NCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCC1)n1cncn1 ZINC001573693026 948275377 /nfs/dbraw/zinc/27/53/77/948275377.db2.gz URFIWSITNYFRNP-CYBMUJFWSA-N 0 3 381.444 0.848 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cccn1 ZINC001573693896 948290462 /nfs/dbraw/zinc/29/04/62/948290462.db2.gz UYZQSAMXACCIMX-YPMHNXCESA-N 0 3 388.407 0.030 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573695180 948303506 /nfs/dbraw/zinc/30/35/06/948303506.db2.gz XEEAMQIWHOQTSQ-DGCLKSJQSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573695180 948303510 /nfs/dbraw/zinc/30/35/10/948303510.db2.gz XEEAMQIWHOQTSQ-DGCLKSJQSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573695914 948310942 /nfs/dbraw/zinc/31/09/42/948310942.db2.gz YTNCAGAKVIQBAI-CXAGYDPISA-N 0 3 381.440 0.632 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573695914 948310948 /nfs/dbraw/zinc/31/09/48/948310948.db2.gz YTNCAGAKVIQBAI-CXAGYDPISA-N 0 3 381.440 0.632 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573446598 948332346 /nfs/dbraw/zinc/33/23/46/948332346.db2.gz JYTORKXXIMTKHB-BDJLRTHQSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573446598 948332353 /nfs/dbraw/zinc/33/23/53/948332353.db2.gz JYTORKXXIMTKHB-BDJLRTHQSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573447100 948340673 /nfs/dbraw/zinc/34/06/73/948340673.db2.gz VGUPTTXWCBLQMJ-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573447100 948340681 /nfs/dbraw/zinc/34/06/81/948340681.db2.gz VGUPTTXWCBLQMJ-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573447100 948340689 /nfs/dbraw/zinc/34/06/89/948340689.db2.gz VGUPTTXWCBLQMJ-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573447100 948340695 /nfs/dbraw/zinc/34/06/95/948340695.db2.gz VGUPTTXWCBLQMJ-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCCCC1 ZINC001573713631 948465545 /nfs/dbraw/zinc/46/55/45/948465545.db2.gz AMVLARXGJJIWJS-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573717355 948506926 /nfs/dbraw/zinc/50/69/26/948506926.db2.gz LULOMGVOUITBQS-NWDGAFQWSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573725626 948545269 /nfs/dbraw/zinc/54/52/69/948545269.db2.gz CMOGRUVAOFFXEG-NFAWXSAZSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573725626 948545273 /nfs/dbraw/zinc/54/52/73/948545273.db2.gz CMOGRUVAOFFXEG-NFAWXSAZSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573726287 948549300 /nfs/dbraw/zinc/54/93/00/948549300.db2.gz HYNZBKVFRURTTL-SGMGOOAPSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573726287 948549303 /nfs/dbraw/zinc/54/93/03/948549303.db2.gz HYNZBKVFRURTTL-SGMGOOAPSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573730213 948578470 /nfs/dbraw/zinc/57/84/70/948578470.db2.gz ZRXKEVYOJPXJMO-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573732753 948607610 /nfs/dbraw/zinc/60/76/10/948607610.db2.gz WYUWGQYGSOWKMJ-UWVGGRQHSA-N 0 3 384.437 0.033 20 0 GCADHN C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCCC1 ZINC001573746543 948683568 /nfs/dbraw/zinc/68/35/68/948683568.db2.gz OACIBLBPRQPGDU-KBPBESRZSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573748449 948695477 /nfs/dbraw/zinc/69/54/77/948695477.db2.gz UAOWXCPTGKXLSP-XNRPHZJLSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573748449 948695480 /nfs/dbraw/zinc/69/54/80/948695480.db2.gz UAOWXCPTGKXLSP-XNRPHZJLSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573753898 948722976 /nfs/dbraw/zinc/72/29/76/948722976.db2.gz YCOTUTKEGDARCL-MPESAESLSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573753898 948722980 /nfs/dbraw/zinc/72/29/80/948722980.db2.gz YCOTUTKEGDARCL-MPESAESLSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573754561 948743277 /nfs/dbraw/zinc/74/32/77/948743277.db2.gz HVNPMKMBAKSCTR-WCQYABFASA-N 0 3 386.460 0.243 20 0 GCADHN C[C@@H](C(N)=O)[N@H+]1CC[C@@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573754561 948743289 /nfs/dbraw/zinc/74/32/89/948743289.db2.gz HVNPMKMBAKSCTR-WCQYABFASA-N 0 3 386.460 0.243 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574916574 948780015 /nfs/dbraw/zinc/78/00/15/948780015.db2.gz DPDUEHLUEXRTBX-NSHDSACASA-N 0 3 387.423 0.361 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574916574 948780028 /nfs/dbraw/zinc/78/00/28/948780028.db2.gz DPDUEHLUEXRTBX-NSHDSACASA-N 0 3 387.423 0.361 20 0 GCADHN C[C@H](CNC(=O)CCC[NH+]1CCCC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918493 948844392 /nfs/dbraw/zinc/84/43/92/948844392.db2.gz LNPFEZJNGGRWLX-CYBMUJFWSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@H](CNC(=O)CCC[NH+]1CCCC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918493 948844410 /nfs/dbraw/zinc/84/44/10/948844410.db2.gz LNPFEZJNGGRWLX-CYBMUJFWSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@@H](CNC(=O)CCCS(C)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574919228 948873401 /nfs/dbraw/zinc/87/34/01/948873401.db2.gz WWVFNCBWHKABJJ-LBPRGKRZSA-N 0 3 380.474 0.286 20 0 GCADHN C[C@@H](CNC(=O)CCCS(C)(=O)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574919228 948873419 /nfs/dbraw/zinc/87/34/19/948873419.db2.gz WWVFNCBWHKABJJ-LBPRGKRZSA-N 0 3 380.474 0.286 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574920648 948905410 /nfs/dbraw/zinc/90/54/10/948905410.db2.gz NPRVXUXMVNWUDT-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574920648 948905420 /nfs/dbraw/zinc/90/54/20/948905420.db2.gz NPRVXUXMVNWUDT-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@@H](CNC(=O)CCc1cncn1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574920863 948910158 /nfs/dbraw/zinc/91/01/58/948910158.db2.gz PRISGDZSRDGRIK-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574923349 948943954 /nfs/dbraw/zinc/94/39/54/948943954.db2.gz KGDZFJOKQKFDGN-CYBMUJFWSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574923349 948943965 /nfs/dbraw/zinc/94/39/65/948943965.db2.gz KGDZFJOKQKFDGN-CYBMUJFWSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574923349 948943977 /nfs/dbraw/zinc/94/39/77/948943977.db2.gz KGDZFJOKQKFDGN-CYBMUJFWSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574923349 948943988 /nfs/dbraw/zinc/94/39/88/948943988.db2.gz KGDZFJOKQKFDGN-CYBMUJFWSA-N 0 3 385.472 0.672 20 0 GCADHN CC(C)(C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573771686 948945445 /nfs/dbraw/zinc/94/54/45/948945445.db2.gz KXJCXJWNQWRFQH-ZDUSSCGKSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574923350 948945446 /nfs/dbraw/zinc/94/54/46/948945446.db2.gz KGDZFJOKQKFDGN-ZDUSSCGKSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574923350 948945466 /nfs/dbraw/zinc/94/54/66/948945466.db2.gz KGDZFJOKQKFDGN-ZDUSSCGKSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574923350 948945485 /nfs/dbraw/zinc/94/54/85/948945485.db2.gz KGDZFJOKQKFDGN-ZDUSSCGKSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574923350 948945499 /nfs/dbraw/zinc/94/54/99/948945499.db2.gz KGDZFJOKQKFDGN-ZDUSSCGKSA-N 0 3 385.472 0.672 20 0 GCADHN CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573772055 948948746 /nfs/dbraw/zinc/94/87/46/948948746.db2.gz PNFVPTFBWUSPPQ-ZDUSSCGKSA-N 0 3 385.476 0.616 20 0 GCADHN CC(C)(C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001573772435 948961566 /nfs/dbraw/zinc/96/15/66/948961566.db2.gz BXZVWXSKMZHKTM-GFCCVEGCSA-N 0 3 391.451 0.769 20 0 GCADHN CC(C)(C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1c[nH]cn1 ZINC001573773423 948984110 /nfs/dbraw/zinc/98/41/10/948984110.db2.gz BJZDBVIFHAKCDC-CQSZACIVSA-N 0 3 381.444 0.691 20 0 GCADHN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574926190 948991674 /nfs/dbraw/zinc/99/16/74/948991674.db2.gz KIJKGFSYTGEBJY-GFCCVEGCSA-N 0 3 375.481 0.799 20 0 GCADHN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574926190 948991683 /nfs/dbraw/zinc/99/16/83/948991683.db2.gz KIJKGFSYTGEBJY-GFCCVEGCSA-N 0 3 375.481 0.799 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575243247 948994369 /nfs/dbraw/zinc/99/43/69/948994369.db2.gz OWCUPOSVZYNURR-OCCSQVGLSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575243247 948994379 /nfs/dbraw/zinc/99/43/79/948994379.db2.gz OWCUPOSVZYNURR-OCCSQVGLSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575243247 948994388 /nfs/dbraw/zinc/99/43/88/948994388.db2.gz OWCUPOSVZYNURR-OCCSQVGLSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575243247 948994403 /nfs/dbraw/zinc/99/44/03/948994403.db2.gz OWCUPOSVZYNURR-OCCSQVGLSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574926386 948998112 /nfs/dbraw/zinc/99/81/12/948998112.db2.gz PBRZJEKOLULOQW-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574926386 948998121 /nfs/dbraw/zinc/99/81/21/948998121.db2.gz PBRZJEKOLULOQW-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574926386 948998131 /nfs/dbraw/zinc/99/81/31/948998131.db2.gz PBRZJEKOLULOQW-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574926386 948998140 /nfs/dbraw/zinc/99/81/40/948998140.db2.gz PBRZJEKOLULOQW-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574926377 948998931 /nfs/dbraw/zinc/99/89/31/948998931.db2.gz OTNHFWCVQFZNDO-NSHDSACASA-N 0 3 390.423 0.015 20 0 GCADHN CC(C)(C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)[NH+]1CCCC1 ZINC001573774264 949004537 /nfs/dbraw/zinc/00/45/37/949004537.db2.gz LBGPXNLLJGFSPH-AWEZNQCLSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H](F)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001575244228 949021236 /nfs/dbraw/zinc/02/12/36/949021236.db2.gz YKTYBSBLHLJWLP-ZFWWWQNUSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@H](F)CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001575244228 949021245 /nfs/dbraw/zinc/02/12/45/949021245.db2.gz YKTYBSBLHLJWLP-ZFWWWQNUSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@H](F)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001575244228 949021258 /nfs/dbraw/zinc/02/12/58/949021258.db2.gz YKTYBSBLHLJWLP-ZFWWWQNUSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@H](F)CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001575244228 949021276 /nfs/dbraw/zinc/02/12/76/949021276.db2.gz YKTYBSBLHLJWLP-ZFWWWQNUSA-N 0 3 390.467 0.775 20 0 GCADHN CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573779243 949055045 /nfs/dbraw/zinc/05/50/45/949055045.db2.gz DVZODPZYBBGSFC-CYBMUJFWSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574928655 949058982 /nfs/dbraw/zinc/05/89/82/949058982.db2.gz PZSWVUREZSDVMU-CYBMUJFWSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574928655 949058998 /nfs/dbraw/zinc/05/89/98/949058998.db2.gz PZSWVUREZSDVMU-CYBMUJFWSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)N1CCCC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574928963 949067700 /nfs/dbraw/zinc/06/77/00/949067700.db2.gz UMRKVWQRRIVYNP-CYBMUJFWSA-N 0 3 386.460 0.266 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)N1CCCC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574928963 949067682 /nfs/dbraw/zinc/06/76/82/949067682.db2.gz UMRKVWQRRIVYNP-CYBMUJFWSA-N 0 3 386.460 0.266 20 0 GCADHN CC(C)(C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCC1 ZINC001573780309 949090647 /nfs/dbraw/zinc/09/06/47/949090647.db2.gz VTRVTXWTLVEJSG-ZDUSSCGKSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)(C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001573780428 949096205 /nfs/dbraw/zinc/09/62/05/949096205.db2.gz ZAAFDSQENFBHGB-CYBMUJFWSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574929806 949099794 /nfs/dbraw/zinc/09/97/94/949099794.db2.gz HUFYLAYHPOXUDY-YPMHNXCESA-N 0 3 378.408 0.406 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574932001 949124299 /nfs/dbraw/zinc/12/42/99/949124299.db2.gz SSWXZNJAMTVJNT-OCCSQVGLSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574932001 949124289 /nfs/dbraw/zinc/12/42/89/949124289.db2.gz SSWXZNJAMTVJNT-OCCSQVGLSA-N 0 3 392.435 0.748 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574447457 949158025 /nfs/dbraw/zinc/15/80/25/949158025.db2.gz OEQPXHIIYICIET-AWEZNQCLSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574447457 949158036 /nfs/dbraw/zinc/15/80/36/949158036.db2.gz OEQPXHIIYICIET-AWEZNQCLSA-N 0 3 385.428 0.859 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574697779 949159814 /nfs/dbraw/zinc/15/98/14/949159814.db2.gz BWRBPQPIJPAENR-GHMZBOCLSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574697779 949159826 /nfs/dbraw/zinc/15/98/26/949159826.db2.gz BWRBPQPIJPAENR-GHMZBOCLSA-N 0 3 377.424 0.454 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574447597 949167398 /nfs/dbraw/zinc/16/73/98/949167398.db2.gz UGXFEOJCGZZBPH-ZDUSSCGKSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574447597 949167411 /nfs/dbraw/zinc/16/74/11/949167411.db2.gz UGXFEOJCGZZBPH-ZDUSSCGKSA-N 0 3 385.428 0.859 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574698161 949179280 /nfs/dbraw/zinc/17/92/80/949179280.db2.gz GTBWCAMDXJEALU-NEPJUHHUSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574698161 949179290 /nfs/dbraw/zinc/17/92/90/949179290.db2.gz GTBWCAMDXJEALU-NEPJUHHUSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574935124 949195962 /nfs/dbraw/zinc/19/59/62/949195962.db2.gz ZTKGUYBFUFZJLO-CYBMUJFWSA-N 0 3 384.444 0.411 20 0 GCADHN C[C@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574935124 949195975 /nfs/dbraw/zinc/19/59/75/949195975.db2.gz ZTKGUYBFUFZJLO-CYBMUJFWSA-N 0 3 384.444 0.411 20 0 GCADHN CC(C)(C(N)=O)C(=O)NC[C@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001573788587 949199370 /nfs/dbraw/zinc/19/93/70/949199370.db2.gz OBOAQZVXQIVYDW-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574703245 949319931 /nfs/dbraw/zinc/31/99/31/949319931.db2.gz AKUNGQUQEQCYHS-WCQYABFASA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574703245 949319953 /nfs/dbraw/zinc/31/99/53/949319953.db2.gz AKUNGQUQEQCYHS-WCQYABFASA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001575863402 949349065 /nfs/dbraw/zinc/34/90/65/949349065.db2.gz CEXKXCISTADONS-JTQLQIEISA-N 0 3 378.462 0.190 20 0 GCADHN CC(C)n1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)c1 ZINC001574463939 949391135 /nfs/dbraw/zinc/39/11/35/949391135.db2.gz CDFLHCRQKSONRK-CQSZACIVSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)c1 ZINC001574463939 949391156 /nfs/dbraw/zinc/39/11/56/949391156.db2.gz CDFLHCRQKSONRK-CQSZACIVSA-N 0 3 384.444 0.525 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574705248 949417772 /nfs/dbraw/zinc/41/77/72/949417772.db2.gz GPTHALVQSZEWIT-WFASDCNBSA-N 0 3 392.485 0.380 20 0 GCADHN CC(C)n1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001574465068 949430047 /nfs/dbraw/zinc/43/00/47/949430047.db2.gz VWHWXFAVDHWIAW-HNNXBMFYSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001574465068 949430063 /nfs/dbraw/zinc/43/00/63/949430063.db2.gz VWHWXFAVDHWIAW-HNNXBMFYSA-N 0 3 384.444 0.525 20 0 GCADHN C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265562 949452613 /nfs/dbraw/zinc/45/26/13/949452613.db2.gz USWCLEBOXGDOGU-NWDGAFQWSA-N 0 3 375.502 0.816 20 0 GCADHN C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265562 949452621 /nfs/dbraw/zinc/45/26/21/949452621.db2.gz USWCLEBOXGDOGU-NWDGAFQWSA-N 0 3 375.502 0.816 20 0 GCADHN C[C@@H](CNC(=O)Cn1ccccc1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574948848 949473227 /nfs/dbraw/zinc/47/32/27/949473227.db2.gz NRNBZDDRRBQMJU-LBPRGKRZSA-N 0 3 385.403 0.462 20 0 GCADHN C[C@@H](CNC(=O)Cn1ccccc1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574948848 949473241 /nfs/dbraw/zinc/47/32/41/949473241.db2.gz NRNBZDDRRBQMJU-LBPRGKRZSA-N 0 3 385.403 0.462 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574710865 949517024 /nfs/dbraw/zinc/51/70/24/949517024.db2.gz BQZBCSGJEMTUDP-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574710865 949517035 /nfs/dbraw/zinc/51/70/35/949517035.db2.gz BQZBCSGJEMTUDP-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574710922 949518932 /nfs/dbraw/zinc/51/89/32/949518932.db2.gz CAWMGOAIQCDTGF-ZIAGYGMSSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574710922 949518948 /nfs/dbraw/zinc/51/89/48/949518948.db2.gz CAWMGOAIQCDTGF-ZIAGYGMSSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574472479 949553873 /nfs/dbraw/zinc/55/38/73/949553873.db2.gz VIYCQQOEWGVDJZ-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574951343 949557597 /nfs/dbraw/zinc/55/75/97/949557597.db2.gz ZJQKKTAODCFXTD-CJNGLKHVSA-N 0 3 385.472 0.860 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574951343 949557613 /nfs/dbraw/zinc/55/76/13/949557613.db2.gz ZJQKKTAODCFXTD-CJNGLKHVSA-N 0 3 385.472 0.860 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574711977 949565744 /nfs/dbraw/zinc/56/57/44/949565744.db2.gz OVSMMFHUJRTDOL-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574124100 949568186 /nfs/dbraw/zinc/56/81/86/949568186.db2.gz BMNHLFSIFASIOH-XJKSGUPXSA-N 0 3 387.488 0.951 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574124100 949568200 /nfs/dbraw/zinc/56/82/00/949568200.db2.gz BMNHLFSIFASIOH-XJKSGUPXSA-N 0 3 387.488 0.951 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575270154 949576963 /nfs/dbraw/zinc/57/69/63/949576963.db2.gz BMVHUDWNLIHGHM-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575270154 949576981 /nfs/dbraw/zinc/57/69/81/949576981.db2.gz BMVHUDWNLIHGHM-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811344 949600195 /nfs/dbraw/zinc/60/01/95/949600195.db2.gz KMGNQINLPPVYDA-HUUCEWRRSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811344 949600208 /nfs/dbraw/zinc/60/02/08/949600208.db2.gz KMGNQINLPPVYDA-HUUCEWRRSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575874080 949601158 /nfs/dbraw/zinc/60/11/58/949601158.db2.gz QYSMYUONFMHVIB-AAEUAGOBSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874080 949601171 /nfs/dbraw/zinc/60/11/71/949601171.db2.gz QYSMYUONFMHVIB-AAEUAGOBSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575874085 949601454 /nfs/dbraw/zinc/60/14/54/949601454.db2.gz QYSMYUONFMHVIB-WCQYABFASA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874085 949601462 /nfs/dbraw/zinc/60/14/62/949601462.db2.gz QYSMYUONFMHVIB-WCQYABFASA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575270953 949608836 /nfs/dbraw/zinc/60/88/36/949608836.db2.gz HQRQDQLGAONCRV-IUODEOHRSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270953 949608851 /nfs/dbraw/zinc/60/88/51/949608851.db2.gz HQRQDQLGAONCRV-IUODEOHRSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575271068 949609589 /nfs/dbraw/zinc/60/95/89/949609589.db2.gz HVCRDHAZFBVXOQ-DOMZBBRYSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575271068 949609599 /nfs/dbraw/zinc/60/95/99/949609599.db2.gz HVCRDHAZFBVXOQ-DOMZBBRYSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575270955 949610164 /nfs/dbraw/zinc/61/01/64/949610164.db2.gz HQRQDQLGAONCRV-WFASDCNBSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270955 949610178 /nfs/dbraw/zinc/61/01/78/949610178.db2.gz HQRQDQLGAONCRV-WFASDCNBSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575271095 949611700 /nfs/dbraw/zinc/61/17/00/949611700.db2.gz IDMYCDCKBYJUDD-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575271095 949611710 /nfs/dbraw/zinc/61/17/10/949611710.db2.gz IDMYCDCKBYJUDD-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)Cn1cnnn1 ZINC001573812163 949611812 /nfs/dbraw/zinc/61/18/12/949611812.db2.gz QKEXSFQFMLKPJF-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)Cn1cnnn1 ZINC001573812163 949611822 /nfs/dbraw/zinc/61/18/22/949611822.db2.gz QKEXSFQFMLKPJF-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574713868 949613415 /nfs/dbraw/zinc/61/34/15/949613415.db2.gz YQIJMTZLWPFLRU-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574713868 949613428 /nfs/dbraw/zinc/61/34/28/949613428.db2.gz YQIJMTZLWPFLRU-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575271425 949618714 /nfs/dbraw/zinc/61/87/14/949618714.db2.gz KHBJXXORISWSLT-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575271425 949618722 /nfs/dbraw/zinc/61/87/22/949618722.db2.gz KHBJXXORISWSLT-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575271585 949623988 /nfs/dbraw/zinc/62/39/88/949623988.db2.gz LBRLJVQRRLJBRC-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575271585 949623996 /nfs/dbraw/zinc/62/39/96/949623996.db2.gz LBRLJVQRRLJBRC-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1COC(=O)N1 ZINC001573813210 949630125 /nfs/dbraw/zinc/63/01/25/949630125.db2.gz WZQDDGJLUQKEFP-KGLIPLIRSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1COC(=O)N1 ZINC001573813210 949630139 /nfs/dbraw/zinc/63/01/39/949630139.db2.gz WZQDDGJLUQKEFP-KGLIPLIRSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575272476 949645307 /nfs/dbraw/zinc/64/53/07/949645307.db2.gz REHIWSIWAQOFJE-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575272476 949645313 /nfs/dbraw/zinc/64/53/13/949645313.db2.gz REHIWSIWAQOFJE-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCOC1 ZINC001575548214 949663259 /nfs/dbraw/zinc/66/32/59/949663259.db2.gz UIHPTGJLDWADOH-HNAYVOBHSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCOC1 ZINC001575548214 949663272 /nfs/dbraw/zinc/66/32/72/949663272.db2.gz UIHPTGJLDWADOH-HNAYVOBHSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574715756 949664284 /nfs/dbraw/zinc/66/42/84/949664284.db2.gz GFKAXRSRLWFXDG-NEPJUHHUSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574715756 949664299 /nfs/dbraw/zinc/66/42/99/949664299.db2.gz GFKAXRSRLWFXDG-NEPJUHHUSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716280 949682103 /nfs/dbraw/zinc/68/21/03/949682103.db2.gz IHEHVBOUKGAUIA-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716280 949682118 /nfs/dbraw/zinc/68/21/18/949682118.db2.gz IHEHVBOUKGAUIA-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716280 949682131 /nfs/dbraw/zinc/68/21/31/949682131.db2.gz IHEHVBOUKGAUIA-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716280 949682151 /nfs/dbraw/zinc/68/21/51/949682151.db2.gz IHEHVBOUKGAUIA-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574716120 949685792 /nfs/dbraw/zinc/68/57/92/949685792.db2.gz MPVBRQOMOXYASH-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880545 949704145 /nfs/dbraw/zinc/70/41/45/949704145.db2.gz UFXINGLQIIXOIQ-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880545 949704158 /nfs/dbraw/zinc/70/41/58/949704158.db2.gz UFXINGLQIIXOIQ-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576170501 949719901 /nfs/dbraw/zinc/71/99/01/949719901.db2.gz LNCXCRKBLSQCSR-UPJWGTAASA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574962928 949745158 /nfs/dbraw/zinc/74/51/58/949745158.db2.gz FONBQXYHUVQBSF-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574962928 949745173 /nfs/dbraw/zinc/74/51/73/949745173.db2.gz FONBQXYHUVQBSF-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574962928 949745184 /nfs/dbraw/zinc/74/51/84/949745184.db2.gz FONBQXYHUVQBSF-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574962928 949745195 /nfs/dbraw/zinc/74/51/95/949745195.db2.gz FONBQXYHUVQBSF-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481160 949766473 /nfs/dbraw/zinc/76/64/73/949766473.db2.gz MXEFNSUCPQITDF-JSGCOSHPSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481160 949766488 /nfs/dbraw/zinc/76/64/88/949766488.db2.gz MXEFNSUCPQITDF-JSGCOSHPSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481160 949766509 /nfs/dbraw/zinc/76/65/09/949766509.db2.gz MXEFNSUCPQITDF-JSGCOSHPSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481160 949766530 /nfs/dbraw/zinc/76/65/30/949766530.db2.gz MXEFNSUCPQITDF-JSGCOSHPSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481124 949769721 /nfs/dbraw/zinc/76/97/21/949769721.db2.gz MPSGGMNIBAMGHS-ZWNOBZJWSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481124 949769742 /nfs/dbraw/zinc/76/97/42/949769742.db2.gz MPSGGMNIBAMGHS-ZWNOBZJWSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574964324 949777956 /nfs/dbraw/zinc/77/79/56/949777956.db2.gz UJBSXDSMVVHVQW-IINYFYTJSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574964559 949779258 /nfs/dbraw/zinc/77/92/58/949779258.db2.gz YBENXFCSRZIGGE-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574964559 949779278 /nfs/dbraw/zinc/77/92/78/949779278.db2.gz YBENXFCSRZIGGE-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574718501 949787496 /nfs/dbraw/zinc/78/74/96/949787496.db2.gz YHFSAYMOVCYCLV-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574964876 949793200 /nfs/dbraw/zinc/79/32/00/949793200.db2.gz BCNYRUWRBGAZJC-QGHHPUGFSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574964876 949793222 /nfs/dbraw/zinc/79/32/22/949793222.db2.gz BCNYRUWRBGAZJC-QGHHPUGFSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575280858 949794354 /nfs/dbraw/zinc/79/43/54/949794354.db2.gz ATZCBLNPAAATDB-WZRBSPASSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281035 949795928 /nfs/dbraw/zinc/79/59/28/949795928.db2.gz BVIFHOBZIQHSRV-JTNHKYCSSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C)C1CC1 ZINC001575281075 949798844 /nfs/dbraw/zinc/79/88/44/949798844.db2.gz CREOSVLMWRPFDB-JRPNMDOOSA-N 0 3 386.460 0.160 20 0 GCADHN C[C@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281018 949799126 /nfs/dbraw/zinc/79/91/26/949799126.db2.gz BPKZPCDCWFRLBB-COPLHBTASA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281287 949805821 /nfs/dbraw/zinc/80/58/21/949805821.db2.gz FGWVWNBXJYCJKJ-CHWSQXEVSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281287 949805850 /nfs/dbraw/zinc/80/58/50/949805850.db2.gz FGWVWNBXJYCJKJ-CHWSQXEVSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)NC(N)=O ZINC001574481882 949808484 /nfs/dbraw/zinc/80/84/84/949808484.db2.gz XAHJBJASZNXKKU-CMPLNLGQSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001575281288 949808841 /nfs/dbraw/zinc/80/88/41/949808841.db2.gz FGWVWNBXJYCJKJ-OLZOCXBDSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001575281288 949808865 /nfs/dbraw/zinc/80/88/65/949808865.db2.gz FGWVWNBXJYCJKJ-OLZOCXBDSA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575281805 949819464 /nfs/dbraw/zinc/81/94/64/949819464.db2.gz HIMPZLKIHYOXBO-QFWMXSHPSA-N 0 3 386.460 0.302 20 0 GCADHN C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001576172852 949824362 /nfs/dbraw/zinc/82/43/62/949824362.db2.gz YSQVJRAJCFSKQE-OLZOCXBDSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001576172852 949824382 /nfs/dbraw/zinc/82/43/82/949824382.db2.gz YSQVJRAJCFSKQE-OLZOCXBDSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574721812 949825096 /nfs/dbraw/zinc/82/50/96/949825096.db2.gz OHUOCOSPNFMAHW-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574721812 949825112 /nfs/dbraw/zinc/82/51/12/949825112.db2.gz OHUOCOSPNFMAHW-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001575281978 949825965 /nfs/dbraw/zinc/82/59/65/949825965.db2.gz ISVQMMYDTZDPGD-LLVKDONJSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]CC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575282216 949829013 /nfs/dbraw/zinc/82/90/13/949829013.db2.gz JDLRLAVDHNVKLX-XSRFYTQQSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CCC[NH+](C)C ZINC001575884007 949838247 /nfs/dbraw/zinc/83/82/47/949838247.db2.gz UDOZYTXVZWVQCS-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CCC[NH+](C)C ZINC001575884007 949838257 /nfs/dbraw/zinc/83/82/57/949838257.db2.gz UDOZYTXVZWVQCS-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1CCc1cnn(C)c1 ZINC001575884665 949848924 /nfs/dbraw/zinc/84/89/24/949848924.db2.gz VJVVQILAXNTAOM-DOMZBBRYSA-N 0 3 383.460 0.754 20 0 GCADHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)NC1CCCC1 ZINC001574967103 949865262 /nfs/dbraw/zinc/86/52/62/949865262.db2.gz FEOROHHRKRXYML-VXGBXAGGSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574724318 949869750 /nfs/dbraw/zinc/86/97/50/949869750.db2.gz GXMAHYWWGIYJAZ-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574724318 949869771 /nfs/dbraw/zinc/86/97/71/949869771.db2.gz GXMAHYWWGIYJAZ-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574484241 949870196 /nfs/dbraw/zinc/87/01/96/949870196.db2.gz GFXMJMWAUHYQHH-DOMZBBRYSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574484241 949870212 /nfs/dbraw/zinc/87/02/12/949870212.db2.gz GFXMJMWAUHYQHH-DOMZBBRYSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574967282 949872932 /nfs/dbraw/zinc/87/29/32/949872932.db2.gz GKOGFTTUQNUYPI-LBPRGKRZSA-N 0 3 380.456 0.997 20 0 GCADHN C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574967282 949872950 /nfs/dbraw/zinc/87/29/50/949872950.db2.gz GKOGFTTUQNUYPI-LBPRGKRZSA-N 0 3 380.456 0.997 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283681 949882094 /nfs/dbraw/zinc/88/20/94/949882094.db2.gz QUPDLCCVLGLEHE-NWDGAFQWSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001574968126 949888865 /nfs/dbraw/zinc/88/88/65/949888865.db2.gz LTNSFLFDFHGWLV-WCQYABFASA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CN(C)C(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574725037 949890952 /nfs/dbraw/zinc/89/09/52/949890952.db2.gz NWSORKBYIQVMMS-CYBMUJFWSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574484638 949891738 /nfs/dbraw/zinc/89/17/38/949891738.db2.gz LCMFPINNLRZGDK-KGLIPLIRSA-N 0 3 381.444 0.934 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(N)=O ZINC001574484807 949902851 /nfs/dbraw/zinc/90/28/51/949902851.db2.gz OSKMGKJKCSBJCC-SWLSCSKDSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(N)=O ZINC001574484807 949902867 /nfs/dbraw/zinc/90/28/67/949902867.db2.gz OSKMGKJKCSBJCC-SWLSCSKDSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284542 949904513 /nfs/dbraw/zinc/90/45/13/949904513.db2.gz JHZLQRAEDKZJLR-NWDGAFQWSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284542 949904532 /nfs/dbraw/zinc/90/45/32/949904532.db2.gz JHZLQRAEDKZJLR-NWDGAFQWSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484871 949910648 /nfs/dbraw/zinc/91/06/48/949910648.db2.gz QJUVTJIEGLSAKD-GXTWGEPZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484871 949910666 /nfs/dbraw/zinc/91/06/66/949910666.db2.gz QJUVTJIEGLSAKD-GXTWGEPZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574485217 949921021 /nfs/dbraw/zinc/92/10/21/949921021.db2.gz VDCMRMAPSHPSBQ-JSGCOSHPSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(N)=O ZINC001574485217 949921045 /nfs/dbraw/zinc/92/10/45/949921045.db2.gz VDCMRMAPSHPSBQ-JSGCOSHPSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575889592 949930688 /nfs/dbraw/zinc/93/06/88/949930688.db2.gz SQKVRQUMYXNNII-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575889592 949930705 /nfs/dbraw/zinc/93/07/05/949930705.db2.gz SQKVRQUMYXNNII-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574726222 949931003 /nfs/dbraw/zinc/93/10/03/949931003.db2.gz HAMCPMOUIOZQBF-CYBMUJFWSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574726222 949931022 /nfs/dbraw/zinc/93/10/22/949931022.db2.gz HAMCPMOUIOZQBF-CYBMUJFWSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574726297 949934330 /nfs/dbraw/zinc/93/43/30/949934330.db2.gz YSYMUSIKEIKYRS-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574726297 949934350 /nfs/dbraw/zinc/93/43/50/949934350.db2.gz YSYMUSIKEIKYRS-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@H](CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)NC(N)=O ZINC001574488850 949951537 /nfs/dbraw/zinc/95/15/37/949951537.db2.gz GSFBJBUWRMLPCY-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)NC(N)=O ZINC001574488850 949951550 /nfs/dbraw/zinc/95/15/50/949951550.db2.gz GSFBJBUWRMLPCY-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727127 949955395 /nfs/dbraw/zinc/95/53/95/949955395.db2.gz PRGBFAWZQMXMRL-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727127 949955413 /nfs/dbraw/zinc/95/54/13/949955413.db2.gz PRGBFAWZQMXMRL-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576180872 949975123 /nfs/dbraw/zinc/97/51/23/949975123.db2.gz JWYQMALADAEZDG-WFASDCNBSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576180872 949975139 /nfs/dbraw/zinc/97/51/39/949975139.db2.gz JWYQMALADAEZDG-WFASDCNBSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575286383 949977632 /nfs/dbraw/zinc/97/76/32/949977632.db2.gz VUIZSMNGFQNSNH-RYUDHWBXSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575286383 949977645 /nfs/dbraw/zinc/97/76/45/949977645.db2.gz VUIZSMNGFQNSNH-RYUDHWBXSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576180993 949980810 /nfs/dbraw/zinc/98/08/10/949980810.db2.gz GJMUHRFIULQYCD-GXTWGEPZSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576180993 949980831 /nfs/dbraw/zinc/98/08/31/949980831.db2.gz GJMUHRFIULQYCD-GXTWGEPZSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H](NC(=O)Cc1c[nH]cn1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575289813 950004917 /nfs/dbraw/zinc/00/49/17/950004917.db2.gz BZRAIBHKFCEYRY-OLZOCXBDSA-N 0 3 381.444 0.949 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001574974957 950006154 /nfs/dbraw/zinc/00/61/54/950006154.db2.gz TWNONFWLNHENCF-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001574974957 950006177 /nfs/dbraw/zinc/00/61/77/950006177.db2.gz TWNONFWLNHENCF-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574975746 950041566 /nfs/dbraw/zinc/04/15/66/950041566.db2.gz ZKSSDLLCWXWLKB-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574975746 950041588 /nfs/dbraw/zinc/04/15/88/950041588.db2.gz ZKSSDLLCWXWLKB-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)C1 ZINC001575575244 950044748 /nfs/dbraw/zinc/04/47/48/950044748.db2.gz GXNSOPYAZGQCIS-CYBMUJFWSA-N 0 3 380.399 0.869 20 0 GCADHN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)C1 ZINC001575575244 950044766 /nfs/dbraw/zinc/04/47/66/950044766.db2.gz GXNSOPYAZGQCIS-CYBMUJFWSA-N 0 3 380.399 0.869 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001574975890 950047060 /nfs/dbraw/zinc/04/70/60/950047060.db2.gz JDTCLSIFXPLROH-GFCCVEGCSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001574975890 950047079 /nfs/dbraw/zinc/04/70/79/950047079.db2.gz JDTCLSIFXPLROH-GFCCVEGCSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001574975891 950047261 /nfs/dbraw/zinc/04/72/61/950047261.db2.gz JDTCLSIFXPLROH-LBPRGKRZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001574975891 950047283 /nfs/dbraw/zinc/04/72/83/950047283.db2.gz JDTCLSIFXPLROH-LBPRGKRZSA-N 0 3 388.476 0.694 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1cnnn1 ZINC001574151382 950074717 /nfs/dbraw/zinc/07/47/17/950074717.db2.gz QFPXRKCFBIZRSM-HNNXBMFYSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1cnnn1 ZINC001574151382 950074737 /nfs/dbraw/zinc/07/47/37/950074737.db2.gz QFPXRKCFBIZRSM-HNNXBMFYSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@]1(C(=O)NCC2([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575576852 950076752 /nfs/dbraw/zinc/07/67/52/950076752.db2.gz SNTSNHCHQAXBGS-SFHVURJKSA-N 0 3 383.456 0.521 20 0 GCADHN C[C@]1(C(=O)NCC2([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575576852 950076772 /nfs/dbraw/zinc/07/67/72/950076772.db2.gz SNTSNHCHQAXBGS-SFHVURJKSA-N 0 3 383.456 0.521 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576183001 950078002 /nfs/dbraw/zinc/07/80/02/950078002.db2.gz OHWVQQAWFYETKL-CYBMUJFWSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574732820 950078885 /nfs/dbraw/zinc/07/88/85/950078885.db2.gz KZHDLZLIQRYCJC-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574732820 950078907 /nfs/dbraw/zinc/07/89/07/950078907.db2.gz KZHDLZLIQRYCJC-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576183263 950079736 /nfs/dbraw/zinc/07/97/36/950079736.db2.gz OHWVQQAWFYETKL-ZDUSSCGKSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575892753 950081781 /nfs/dbraw/zinc/08/17/81/950081781.db2.gz ZFCJYOLSKJQNSS-NWDGAFQWSA-N 0 3 384.444 0.010 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001574977120 950114315 /nfs/dbraw/zinc/11/43/15/950114315.db2.gz HOQDCICSRMQQSR-ABAIWWIYSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001574977120 950114329 /nfs/dbraw/zinc/11/43/29/950114329.db2.gz HOQDCICSRMQQSR-ABAIWWIYSA-N 0 3 387.419 0.645 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1ncn(C)n1 ZINC001574152727 950118320 /nfs/dbraw/zinc/11/83/20/950118320.db2.gz ITFMQNLAGIKBMK-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1ncn(C)n1 ZINC001574152727 950118331 /nfs/dbraw/zinc/11/83/31/950118331.db2.gz ITFMQNLAGIKBMK-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1cnnn1C ZINC001574153311 950138323 /nfs/dbraw/zinc/13/83/23/950138323.db2.gz RHZUMUNZXGLWPY-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1cnnn1C ZINC001574153311 950138336 /nfs/dbraw/zinc/13/83/36/950138336.db2.gz RHZUMUNZXGLWPY-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)[C@@H](CNC(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574493843 950141821 /nfs/dbraw/zinc/14/18/21/950141821.db2.gz IEDJQXAKNFZPES-SWLSCSKDSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)[C@@H](CNC(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574493843 950141832 /nfs/dbraw/zinc/14/18/32/950141832.db2.gz IEDJQXAKNFZPES-SWLSCSKDSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)[C@H](CNC(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574493883 950142590 /nfs/dbraw/zinc/14/25/90/950142590.db2.gz IKBPTTFVTKNZAA-WFASDCNBSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)[C@H](CNC(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574493883 950142598 /nfs/dbraw/zinc/14/25/98/950142598.db2.gz IKBPTTFVTKNZAA-WFASDCNBSA-N 0 3 388.476 0.544 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574734734 950142836 /nfs/dbraw/zinc/14/28/36/950142836.db2.gz PHXIDVSOXKTBMH-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574734734 950142846 /nfs/dbraw/zinc/14/28/46/950142846.db2.gz PHXIDVSOXKTBMH-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574153673 950148450 /nfs/dbraw/zinc/14/84/50/950148450.db2.gz VRGLAGSVUQZSOZ-ZFWWWQNUSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574153673 950148460 /nfs/dbraw/zinc/14/84/60/950148460.db2.gz VRGLAGSVUQZSOZ-ZFWWWQNUSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]Cc1ccc2c(c1)nnn2C ZINC001574982584 950171647 /nfs/dbraw/zinc/17/16/47/950171647.db2.gz DVSUMPXGBNJQKE-SNVBAGLBSA-N 0 3 380.416 0.385 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)NC(N)=O ZINC001574494672 950177402 /nfs/dbraw/zinc/17/74/02/950177402.db2.gz MOCJAYRONFJJAK-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)NC(N)=O ZINC001574494672 950177412 /nfs/dbraw/zinc/17/74/12/950177412.db2.gz MOCJAYRONFJJAK-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574154751 950177849 /nfs/dbraw/zinc/17/78/49/950177849.db2.gz HBLGRCCVNBAJIL-UONOGXRCSA-N 0 3 387.492 0.941 20 0 GCADHN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574154751 950177862 /nfs/dbraw/zinc/17/78/62/950177862.db2.gz HBLGRCCVNBAJIL-UONOGXRCSA-N 0 3 387.492 0.941 20 0 GCADHN CC(C)[C@H](C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574982911 950190683 /nfs/dbraw/zinc/19/06/83/950190683.db2.gz IEYWMPOHGMXJKW-BXUZGUMPSA-N 0 3 376.465 0.263 20 0 GCADHN CC(C)[C@H](C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574982914 950193189 /nfs/dbraw/zinc/19/31/89/950193189.db2.gz IEYWMPOHGMXJKW-SMDDNHRTSA-N 0 3 376.465 0.263 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574739519 950195060 /nfs/dbraw/zinc/19/50/60/950195060.db2.gz QUTRXRNMWQTZCR-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576191427 950196221 /nfs/dbraw/zinc/19/62/21/950196221.db2.gz HUVKGUQSBWJGNL-WCQYABFASA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576191427 950196233 /nfs/dbraw/zinc/19/62/33/950196233.db2.gz HUVKGUQSBWJGNL-WCQYABFASA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1CNCc1cn(C)nn1 ZINC001576191455 950198297 /nfs/dbraw/zinc/19/82/97/950198297.db2.gz HZMUSMFACWCOSE-AAEUAGOBSA-N 0 3 384.448 0.211 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001576191909 950212996 /nfs/dbraw/zinc/21/29/96/950212996.db2.gz IZCILOMLOMDXGO-GFCCVEGCSA-N 0 3 375.502 0.913 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001576191909 950213017 /nfs/dbraw/zinc/21/30/17/950213017.db2.gz IZCILOMLOMDXGO-GFCCVEGCSA-N 0 3 375.502 0.913 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574739955 950214524 /nfs/dbraw/zinc/21/45/24/950214524.db2.gz ABOCIVVOULQMIG-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574739955 950214542 /nfs/dbraw/zinc/21/45/42/950214542.db2.gz ABOCIVVOULQMIG-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574740230 950226961 /nfs/dbraw/zinc/22/69/61/950226961.db2.gz CITPOGXWVPZDPA-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574740230 950226977 /nfs/dbraw/zinc/22/69/77/950226977.db2.gz CITPOGXWVPZDPA-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574740230 950226990 /nfs/dbraw/zinc/22/69/90/950226990.db2.gz CITPOGXWVPZDPA-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574740230 950227005 /nfs/dbraw/zinc/22/70/05/950227005.db2.gz CITPOGXWVPZDPA-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)C1=COCCO1 ZINC001575901306 950230379 /nfs/dbraw/zinc/23/03/79/950230379.db2.gz NHTLTTAGPAKTQC-ABAIWWIYSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)C1=COCCO1 ZINC001575901306 950230392 /nfs/dbraw/zinc/23/03/92/950230392.db2.gz NHTLTTAGPAKTQC-ABAIWWIYSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]CC(=O)NCC2CCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575901448 950235071 /nfs/dbraw/zinc/23/50/71/950235071.db2.gz NPMPSVWHWFCWKR-RISCZKNCSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccn1 ZINC001574497671 950237715 /nfs/dbraw/zinc/23/77/15/950237715.db2.gz ATLYFDIIHKOGDJ-UKRRQHHQSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cccn1 ZINC001574497671 950237728 /nfs/dbraw/zinc/23/77/28/950237728.db2.gz ATLYFDIIHKOGDJ-UKRRQHHQSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccn1 ZINC001574497670 950238161 /nfs/dbraw/zinc/23/81/61/950238161.db2.gz ATLYFDIIHKOGDJ-HIFRSBDPSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cccn1 ZINC001574497670 950238189 /nfs/dbraw/zinc/23/81/89/950238189.db2.gz ATLYFDIIHKOGDJ-HIFRSBDPSA-N 0 3 384.444 0.281 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573845807 950241032 /nfs/dbraw/zinc/24/10/32/950241032.db2.gz MVQWQTSGGVUNRE-UHFFFAOYSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H]1[C@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575901822 950242411 /nfs/dbraw/zinc/24/24/11/950242411.db2.gz QICQYJXHCULZJY-GXTWGEPZSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573846228 950244424 /nfs/dbraw/zinc/24/44/24/950244424.db2.gz PIOATHCIBFBJRK-GFCCVEGCSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983933 950248991 /nfs/dbraw/zinc/24/89/91/950248991.db2.gz SMVUAURKVXVENI-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983933 950249008 /nfs/dbraw/zinc/24/90/08/950249008.db2.gz SMVUAURKVXVENI-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576192467 950249621 /nfs/dbraw/zinc/24/96/21/950249621.db2.gz NFUMBCHJJFQEHE-ZDUSSCGKSA-N 0 3 388.476 0.457 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576192467 950249637 /nfs/dbraw/zinc/24/96/37/950249637.db2.gz NFUMBCHJJFQEHE-ZDUSSCGKSA-N 0 3 388.476 0.457 20 0 GCADHN C[C@@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1ncn(C)n1 ZINC001575902251 950256686 /nfs/dbraw/zinc/25/66/86/950256686.db2.gz UALIBGBKTVOZFU-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574741838 950258548 /nfs/dbraw/zinc/25/85/48/950258548.db2.gz DWDRSFLYPCVDCZ-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574741838 950258566 /nfs/dbraw/zinc/25/85/66/950258566.db2.gz DWDRSFLYPCVDCZ-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574741838 950258588 /nfs/dbraw/zinc/25/85/88/950258588.db2.gz DWDRSFLYPCVDCZ-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574741838 950258607 /nfs/dbraw/zinc/25/86/07/950258607.db2.gz DWDRSFLYPCVDCZ-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575902465 950259415 /nfs/dbraw/zinc/25/94/15/950259415.db2.gz VMALLISYQRFORL-CMPLNLGQSA-N 0 3 389.851 0.938 20 0 GCADHN C[C@H]1[C@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575902465 950259433 /nfs/dbraw/zinc/25/94/33/950259433.db2.gz VMALLISYQRFORL-CMPLNLGQSA-N 0 3 389.851 0.938 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573849866 950262253 /nfs/dbraw/zinc/26/22/53/950262253.db2.gz DFQWJPRYNDEDDQ-RYUDHWBXSA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573849865 950263291 /nfs/dbraw/zinc/26/32/91/950263291.db2.gz DFQWJPRYNDEDDQ-NWDGAFQWSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192713 950263339 /nfs/dbraw/zinc/26/33/39/950263339.db2.gz QFQCNHJOZKEJFD-KGLIPLIRSA-N 0 3 381.444 0.477 20 0 GCADHN C[C@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cncn1 ZINC001575902644 950266043 /nfs/dbraw/zinc/26/60/43/950266043.db2.gz WEZXNZSVEMEJBU-XHDPSFHLSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001576192810 950269060 /nfs/dbraw/zinc/26/90/60/950269060.db2.gz PJTWATGAWISNJY-CYBMUJFWSA-N 0 3 387.463 0.990 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001576192810 950269078 /nfs/dbraw/zinc/26/90/78/950269078.db2.gz PJTWATGAWISNJY-CYBMUJFWSA-N 0 3 387.463 0.990 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573850384 950275147 /nfs/dbraw/zinc/27/51/47/950275147.db2.gz JHBJDNZPJQJTNQ-LBPRGKRZSA-N 0 3 389.464 0.097 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574742396 950283183 /nfs/dbraw/zinc/28/31/83/950283183.db2.gz KLJBTFGQLHTMRT-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574742396 950283200 /nfs/dbraw/zinc/28/32/00/950283200.db2.gz KLJBTFGQLHTMRT-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573851354 950287987 /nfs/dbraw/zinc/28/79/87/950287987.db2.gz VOWKEJPRBSSVGK-LBPRGKRZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574742594 950295309 /nfs/dbraw/zinc/29/53/09/950295309.db2.gz PNMYQHWXXQVUKY-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574742594 950295326 /nfs/dbraw/zinc/29/53/26/950295326.db2.gz PNMYQHWXXQVUKY-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574742594 950295342 /nfs/dbraw/zinc/29/53/42/950295342.db2.gz PNMYQHWXXQVUKY-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574742594 950295359 /nfs/dbraw/zinc/29/53/59/950295359.db2.gz PNMYQHWXXQVUKY-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@H+](C)C[C@H](O)CC(F)(F)F ZINC001574987627 950297642 /nfs/dbraw/zinc/29/76/42/950297642.db2.gz GLPZYWDZAMVDKS-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC001574987627 950297664 /nfs/dbraw/zinc/29/76/64/950297664.db2.gz GLPZYWDZAMVDKS-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@H+](C)C[C@H](O)CC(F)(F)F ZINC001574987627 950297685 /nfs/dbraw/zinc/29/76/85/950297685.db2.gz GLPZYWDZAMVDKS-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC001574987627 950297696 /nfs/dbraw/zinc/29/76/96/950297696.db2.gz GLPZYWDZAMVDKS-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cncn1 ZINC001575906365 950312762 /nfs/dbraw/zinc/31/27/62/950312762.db2.gz HYVOVHNYEHMUFA-NHYWBVRUSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001576193740 950314595 /nfs/dbraw/zinc/31/45/95/950314595.db2.gz WPSUXNHHIPTANH-OCCSQVGLSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001576193740 950314620 /nfs/dbraw/zinc/31/46/20/950314620.db2.gz WPSUXNHHIPTANH-OCCSQVGLSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574743163 950316188 /nfs/dbraw/zinc/31/61/88/950316188.db2.gz SOEYJEIGJUETMZ-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574743163 950316208 /nfs/dbraw/zinc/31/62/08/950316208.db2.gz SOEYJEIGJUETMZ-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574743163 950316228 /nfs/dbraw/zinc/31/62/28/950316228.db2.gz SOEYJEIGJUETMZ-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574743163 950316252 /nfs/dbraw/zinc/31/62/52/950316252.db2.gz SOEYJEIGJUETMZ-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574743165 950317115 /nfs/dbraw/zinc/31/71/15/950317115.db2.gz SOEYJEIGJUETMZ-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574743165 950317135 /nfs/dbraw/zinc/31/71/35/950317135.db2.gz SOEYJEIGJUETMZ-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574743165 950317162 /nfs/dbraw/zinc/31/71/62/950317162.db2.gz SOEYJEIGJUETMZ-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574743165 950317180 /nfs/dbraw/zinc/31/71/80/950317180.db2.gz SOEYJEIGJUETMZ-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCCC(N)=O ZINC001575906567 950317315 /nfs/dbraw/zinc/31/73/15/950317315.db2.gz JHFOHYHFNQVUQL-ABAIWWIYSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CN1CCOCC1 ZINC001575906901 950319114 /nfs/dbraw/zinc/31/91/14/950319114.db2.gz KKKSSVFIFZDENJ-RHSMWYFYSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CN1CCOCC1 ZINC001575906901 950319133 /nfs/dbraw/zinc/31/91/33/950319133.db2.gz KKKSSVFIFZDENJ-RHSMWYFYSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574744106 950343617 /nfs/dbraw/zinc/34/36/17/950343617.db2.gz WWKOGXXKZAIWOF-MJBXVCDLSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574744106 950343639 /nfs/dbraw/zinc/34/36/39/950343639.db2.gz WWKOGXXKZAIWOF-MJBXVCDLSA-N 0 3 385.472 0.705 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574744093 950344727 /nfs/dbraw/zinc/34/47/27/950344727.db2.gz WSOBIJJBVKNXEM-BXUZGUMPSA-N 0 3 376.465 0.358 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cnn(C)n1 ZINC001575907980 950345289 /nfs/dbraw/zinc/34/52/89/950345289.db2.gz SEIVPSMXLDKIOJ-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN CC1CC[NH+](CC(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001576196255 950353423 /nfs/dbraw/zinc/35/34/23/950353423.db2.gz BSRHZUXMSYTAQC-AWEZNQCLSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576196199 950354040 /nfs/dbraw/zinc/35/40/40/950354040.db2.gz AFRMPAKWOBUVSY-ZIAGYGMSSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576196199 950354060 /nfs/dbraw/zinc/35/40/60/950354060.db2.gz AFRMPAKWOBUVSY-ZIAGYGMSSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574744300 950355935 /nfs/dbraw/zinc/35/59/35/950355935.db2.gz YIIJHCZVASYUPT-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574744300 950355954 /nfs/dbraw/zinc/35/59/54/950355954.db2.gz YIIJHCZVASYUPT-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001574989017 950357857 /nfs/dbraw/zinc/35/78/57/950357857.db2.gz XILNSWSWDDKQBV-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001574989017 950357875 /nfs/dbraw/zinc/35/78/75/950357875.db2.gz XILNSWSWDDKQBV-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)C1 ZINC001576196656 950363750 /nfs/dbraw/zinc/36/37/50/950363750.db2.gz FPVLUUHSIAAVCN-GXTWGEPZSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)C1 ZINC001576196656 950363775 /nfs/dbraw/zinc/36/37/75/950363775.db2.gz FPVLUUHSIAAVCN-GXTWGEPZSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1nccnc1N ZINC001575908488 950364440 /nfs/dbraw/zinc/36/44/40/950364440.db2.gz CGBQZTSJMWVCDK-FZMZJTMJSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1nccnc1N ZINC001575908488 950364455 /nfs/dbraw/zinc/36/44/55/950364455.db2.gz CGBQZTSJMWVCDK-FZMZJTMJSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)C(=O)NCC1CC1 ZINC001575908545 950367694 /nfs/dbraw/zinc/36/76/94/950367694.db2.gz UYGRYFQXHPLNIU-LRDDRELGSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)C(=O)NCC1CC1 ZINC001575908547 950367971 /nfs/dbraw/zinc/36/79/71/950367971.db2.gz UYGRYFQXHPLNIU-WBMJQRKESA-N 0 3 383.456 0.472 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ccnc1 ZINC001575908589 950368138 /nfs/dbraw/zinc/36/81/38/950368138.db2.gz VOTAGXNWVMMFEG-LRDDRELGSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ccnc1 ZINC001575908589 950368153 /nfs/dbraw/zinc/36/81/53/950368153.db2.gz VOTAGXNWVMMFEG-LRDDRELGSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574989487 950369171 /nfs/dbraw/zinc/36/91/71/950369171.db2.gz ZTALVPZIRPMUMD-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574989487 950369192 /nfs/dbraw/zinc/36/91/92/950369192.db2.gz ZTALVPZIRPMUMD-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574989487 950369213 /nfs/dbraw/zinc/36/92/13/950369213.db2.gz ZTALVPZIRPMUMD-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574989487 950369234 /nfs/dbraw/zinc/36/92/34/950369234.db2.gz ZTALVPZIRPMUMD-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN CC1CC[NH+](CC(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001576196724 950369966 /nfs/dbraw/zinc/36/99/66/950369966.db2.gz GLSNNKUGMVKQDL-UHFFFAOYSA-N 0 3 385.476 0.427 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573855424 950371119 /nfs/dbraw/zinc/37/11/19/950371119.db2.gz UIQNBQITLOBSTA-CHWSQXEVSA-N 0 3 388.476 0.740 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576196735 950371172 /nfs/dbraw/zinc/37/11/72/950371172.db2.gz GPZLIJMAJKYKOX-ZDUSSCGKSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576196735 950371192 /nfs/dbraw/zinc/37/11/92/950371192.db2.gz GPZLIJMAJKYKOX-ZDUSSCGKSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574990616 950380164 /nfs/dbraw/zinc/38/01/64/950380164.db2.gz DGZDFGKILXMXSG-LBPRGKRZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574990616 950380181 /nfs/dbraw/zinc/38/01/81/950380181.db2.gz DGZDFGKILXMXSG-LBPRGKRZSA-N 0 3 386.460 0.305 20 0 GCADHN CC1CC[NH+](CC(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001576197157 950383071 /nfs/dbraw/zinc/38/30/71/950383071.db2.gz LDQNVDHXSCYNRQ-UHFFFAOYSA-N 0 3 385.476 0.792 20 0 GCADHN CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574745717 950388841 /nfs/dbraw/zinc/38/88/41/950388841.db2.gz JSFWVABJRBGYDS-RYUDHWBXSA-N 0 3 376.465 0.500 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197413 950389325 /nfs/dbraw/zinc/38/93/25/950389325.db2.gz NHWXSSDZTROFLI-UONOGXRCSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197413 950389344 /nfs/dbraw/zinc/38/93/44/950389344.db2.gz NHWXSSDZTROFLI-UONOGXRCSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197414 950393387 /nfs/dbraw/zinc/39/33/87/950393387.db2.gz NHWXSSDZTROFLI-ZIAGYGMSSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197414 950393409 /nfs/dbraw/zinc/39/34/09/950393409.db2.gz NHWXSSDZTROFLI-ZIAGYGMSSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001575909568 950402124 /nfs/dbraw/zinc/40/21/24/950402124.db2.gz ZFSBWFSANVLNAI-ONGXEEELSA-N 0 3 388.457 0.760 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503366 950405175 /nfs/dbraw/zinc/40/51/75/950405175.db2.gz UTIXYDWQPCMVIR-STQMWFEESA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503366 950405192 /nfs/dbraw/zinc/40/51/92/950405192.db2.gz UTIXYDWQPCMVIR-STQMWFEESA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503366 950405206 /nfs/dbraw/zinc/40/52/06/950405206.db2.gz UTIXYDWQPCMVIR-STQMWFEESA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503366 950405224 /nfs/dbraw/zinc/40/52/24/950405224.db2.gz UTIXYDWQPCMVIR-STQMWFEESA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576198414 950410699 /nfs/dbraw/zinc/41/06/99/950410699.db2.gz SMPNGXZLFFPQGG-MELADBBJSA-N 0 3 383.460 0.178 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576198414 950410711 /nfs/dbraw/zinc/41/07/11/950410711.db2.gz SMPNGXZLFFPQGG-MELADBBJSA-N 0 3 383.460 0.178 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576199250 950420200 /nfs/dbraw/zinc/42/02/00/950420200.db2.gz XVNVZSUVJCJFAZ-HUUCEWRRSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576199250 950420209 /nfs/dbraw/zinc/42/02/09/950420209.db2.gz XVNVZSUVJCJFAZ-HUUCEWRRSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@@H](CC(=O)NCCC[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574504059 950422838 /nfs/dbraw/zinc/42/28/38/950422838.db2.gz ZYMPFWLCHRMJMQ-NSHDSACASA-N 0 3 392.439 0.391 20 0 GCADHN C[C@@H](CC(=O)NCCC[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574504059 950422845 /nfs/dbraw/zinc/42/28/45/950422845.db2.gz ZYMPFWLCHRMJMQ-NSHDSACASA-N 0 3 392.439 0.391 20 0 GCADHN C[C@@H](CC(=O)NCCC[N@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574504059 950422853 /nfs/dbraw/zinc/42/28/53/950422853.db2.gz ZYMPFWLCHRMJMQ-NSHDSACASA-N 0 3 392.439 0.391 20 0 GCADHN C[C@@H](CC(=O)NCCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574504059 950422862 /nfs/dbraw/zinc/42/28/62/950422862.db2.gz ZYMPFWLCHRMJMQ-NSHDSACASA-N 0 3 392.439 0.391 20 0 GCADHN CC1CC[NH+](CC(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001576199321 950424622 /nfs/dbraw/zinc/42/46/22/950424622.db2.gz YKLANUDDDWRXLS-UHFFFAOYSA-N 0 3 385.476 0.427 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574750483 950425907 /nfs/dbraw/zinc/42/59/07/950425907.db2.gz AYXURLAVKLTEGY-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574750483 950425919 /nfs/dbraw/zinc/42/59/19/950425919.db2.gz AYXURLAVKLTEGY-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574750483 950425927 /nfs/dbraw/zinc/42/59/27/950425927.db2.gz AYXURLAVKLTEGY-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574750483 950425956 /nfs/dbraw/zinc/42/59/56/950425956.db2.gz AYXURLAVKLTEGY-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001576202823 950435805 /nfs/dbraw/zinc/43/58/05/950435805.db2.gz CESFMXHAMQQTGI-AWEZNQCLSA-N 0 3 387.463 0.992 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001576202823 950435820 /nfs/dbraw/zinc/43/58/20/950435820.db2.gz CESFMXHAMQQTGI-AWEZNQCLSA-N 0 3 387.463 0.992 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576202896 950439939 /nfs/dbraw/zinc/43/99/39/950439939.db2.gz FDIJPDYSFGXPBJ-ZDUSSCGKSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576202896 950439953 /nfs/dbraw/zinc/43/99/53/950439953.db2.gz FDIJPDYSFGXPBJ-ZDUSSCGKSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(N)=O ZINC001574506707 950440254 /nfs/dbraw/zinc/44/02/54/950440254.db2.gz BWKOFLGIQSECPJ-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1nccnc1N ZINC001575911765 950451150 /nfs/dbraw/zinc/45/11/50/950451150.db2.gz PXYNVGGALNSEKX-BXUZGUMPSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1nccnc1N ZINC001575911765 950451159 /nfs/dbraw/zinc/45/11/59/950451159.db2.gz PXYNVGGALNSEKX-BXUZGUMPSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001574993909 950471939 /nfs/dbraw/zinc/47/19/39/950471939.db2.gz NHLGVIMBHXHWHF-YPMHNXCESA-N 0 3 383.412 0.743 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001574993909 950471954 /nfs/dbraw/zinc/47/19/54/950471954.db2.gz NHLGVIMBHXHWHF-YPMHNXCESA-N 0 3 383.412 0.743 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574752701 950493921 /nfs/dbraw/zinc/49/39/21/950493921.db2.gz FHZMSHMZTBHJQZ-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574752701 950493930 /nfs/dbraw/zinc/49/39/30/950493930.db2.gz FHZMSHMZTBHJQZ-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574753275 950518358 /nfs/dbraw/zinc/51/83/58/950518358.db2.gz KLDXYZJLYQRDKX-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574753275 950518379 /nfs/dbraw/zinc/51/83/79/950518379.db2.gz KLDXYZJLYQRDKX-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574753276 950519230 /nfs/dbraw/zinc/51/92/30/950519230.db2.gz KLDXYZJLYQRDKX-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574753276 950519247 /nfs/dbraw/zinc/51/92/47/950519247.db2.gz KLDXYZJLYQRDKX-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cnnn1 ZINC001575915947 950526028 /nfs/dbraw/zinc/52/60/28/950526028.db2.gz YJGPQDYTSYZPGQ-DOMZBBRYSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cnnn1 ZINC001575915947 950526045 /nfs/dbraw/zinc/52/60/45/950526045.db2.gz YJGPQDYTSYZPGQ-DOMZBBRYSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C)NC(N)=O ZINC001574511375 950554968 /nfs/dbraw/zinc/55/49/68/950554968.db2.gz JDBGXRUXLIEFAY-LALPHHSUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C)NC(N)=O ZINC001574511375 950554987 /nfs/dbraw/zinc/55/49/87/950554987.db2.gz JDBGXRUXLIEFAY-LALPHHSUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575000027 950593606 /nfs/dbraw/zinc/59/36/06/950593606.db2.gz OIHYNQSIDCGYIL-SECBINFHSA-N 0 3 386.391 0.341 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575000027 950593626 /nfs/dbraw/zinc/59/36/26/950593626.db2.gz OIHYNQSIDCGYIL-SECBINFHSA-N 0 3 386.391 0.341 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576208678 950617597 /nfs/dbraw/zinc/61/75/97/950617597.db2.gz SEHLAENQPJPEBT-HZSPNIEDSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576208678 950617615 /nfs/dbraw/zinc/61/76/15/950617615.db2.gz SEHLAENQPJPEBT-HZSPNIEDSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575001137 950623831 /nfs/dbraw/zinc/62/38/31/950623831.db2.gz UCXHYERAWKPLJL-LLVKDONJSA-N 0 3 385.432 0.566 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574760569 950666862 /nfs/dbraw/zinc/66/68/62/950666862.db2.gz JHZPPLLMDNIRAJ-LBPRGKRZSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574760569 950666878 /nfs/dbraw/zinc/66/68/78/950666878.db2.gz JHZPPLLMDNIRAJ-LBPRGKRZSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](CN(C)C(=O)c1cnn(C)c1N)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574763820 950735033 /nfs/dbraw/zinc/73/50/33/950735033.db2.gz LOKBJQWGHLNOMW-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575008160 950739376 /nfs/dbraw/zinc/73/93/76/950739376.db2.gz CCKPICPOTJYYDO-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)Cn1ncnn1 ZINC001574520931 950761188 /nfs/dbraw/zinc/76/11/88/950761188.db2.gz BFEBHGWDGXQWTM-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001575008876 950762921 /nfs/dbraw/zinc/76/29/21/950762921.db2.gz JMDCNOFMEWPQAK-NHYWBVRUSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574764829 950766966 /nfs/dbraw/zinc/76/69/66/950766966.db2.gz ZBZHXMHYTORCEI-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](CN(C)C(=O)c1nccnc1N)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574764977 950768982 /nfs/dbraw/zinc/76/89/82/950768982.db2.gz AYDUSUBOIZSRAT-SNVBAGLBSA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](CN(C)C(=O)c1nccnc1N)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574764977 950768993 /nfs/dbraw/zinc/76/89/93/950768993.db2.gz AYDUSUBOIZSRAT-SNVBAGLBSA-N 0 3 385.407 0.628 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCn1cnnn1 ZINC001574521214 950770736 /nfs/dbraw/zinc/77/07/36/950770736.db2.gz DDXAKEDYKGXFAR-STQMWFEESA-N 0 3 384.448 0.316 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCn1cnnn1 ZINC001574521214 950770747 /nfs/dbraw/zinc/77/07/47/950770747.db2.gz DDXAKEDYKGXFAR-STQMWFEESA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575009239 950779563 /nfs/dbraw/zinc/77/95/63/950779563.db2.gz QQUVGNLPRGABSG-AAEUAGOBSA-N 0 3 386.460 0.019 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575009239 950779572 /nfs/dbraw/zinc/77/95/72/950779572.db2.gz QQUVGNLPRGABSG-AAEUAGOBSA-N 0 3 386.460 0.019 20 0 GCADHN C[C@@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574765401 950786720 /nfs/dbraw/zinc/78/67/20/950786720.db2.gz HVOUARBKJLJWOC-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574765401 950786734 /nfs/dbraw/zinc/78/67/34/950786734.db2.gz HVOUARBKJLJWOC-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)Cn1cncn1 ZINC001574522548 950797249 /nfs/dbraw/zinc/79/72/49/950797249.db2.gz KQSXSPYAOKUFII-NWDGAFQWSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)Cn1cncn1 ZINC001574522548 950797260 /nfs/dbraw/zinc/79/72/60/950797260.db2.gz KQSXSPYAOKUFII-NWDGAFQWSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)Cn1cncn1 ZINC001574522883 950801865 /nfs/dbraw/zinc/80/18/65/950801865.db2.gz LOLCRWHGOAVOOM-VXGBXAGGSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)Cn1cncn1 ZINC001574522883 950801888 /nfs/dbraw/zinc/80/18/88/950801888.db2.gz LOLCRWHGOAVOOM-VXGBXAGGSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1ccnn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574523162 950806106 /nfs/dbraw/zinc/80/61/06/950806106.db2.gz MMFFWVVYBGTLBX-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1ccnn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574523162 950806133 /nfs/dbraw/zinc/80/61/33/950806133.db2.gz MMFFWVVYBGTLBX-KGLIPLIRSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523146 950809612 /nfs/dbraw/zinc/80/96/12/950809612.db2.gz MIRYCNAGEYJQCL-NWDGAFQWSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523146 950809639 /nfs/dbraw/zinc/80/96/39/950809639.db2.gz MIRYCNAGEYJQCL-NWDGAFQWSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCn1cncn1 ZINC001574523616 950818304 /nfs/dbraw/zinc/81/83/04/950818304.db2.gz OKYCTINWBWPNNO-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCn1cncn1 ZINC001574523616 950818325 /nfs/dbraw/zinc/81/83/25/950818325.db2.gz OKYCTINWBWPNNO-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574523795 950832094 /nfs/dbraw/zinc/83/20/94/950832094.db2.gz QMPZBQUSCCDBMC-VXGBXAGGSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574523795 950832118 /nfs/dbraw/zinc/83/21/18/950832118.db2.gz QMPZBQUSCCDBMC-VXGBXAGGSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC001575010851 950834769 /nfs/dbraw/zinc/83/47/69/950834769.db2.gz JTLSAIWYOQYQIU-BDAKNGLRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC001575010851 950834789 /nfs/dbraw/zinc/83/47/89/950834789.db2.gz JTLSAIWYOQYQIU-BDAKNGLRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)Cn1cnnn1 ZINC001574523940 950837847 /nfs/dbraw/zinc/83/78/47/950837847.db2.gz SJVUZABVIVUTPA-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)Cn1cnnn1 ZINC001574523940 950837863 /nfs/dbraw/zinc/83/78/63/950837863.db2.gz SJVUZABVIVUTPA-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)Cn1cnnn1 ZINC001574523942 950840524 /nfs/dbraw/zinc/84/05/24/950840524.db2.gz SJVUZABVIVUTPA-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)Cn1cnnn1 ZINC001574523942 950840545 /nfs/dbraw/zinc/84/05/45/950840545.db2.gz SJVUZABVIVUTPA-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)CCNC(N)=O ZINC001574524110 950846053 /nfs/dbraw/zinc/84/60/53/950846053.db2.gz TXBDNYBWRSWPJH-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)CCNC(N)=O ZINC001574524110 950846077 /nfs/dbraw/zinc/84/60/77/950846077.db2.gz TXBDNYBWRSWPJH-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574524292 950852232 /nfs/dbraw/zinc/85/22/32/950852232.db2.gz VFJGTOHBMBBYGB-NEPJUHHUSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574524489 950860055 /nfs/dbraw/zinc/86/00/55/950860055.db2.gz XINJMIVSMWQEBZ-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574524489 950860074 /nfs/dbraw/zinc/86/00/74/950860074.db2.gz XINJMIVSMWQEBZ-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576221566 950860836 /nfs/dbraw/zinc/86/08/36/950860836.db2.gz VNWABQJFADYZDN-TZMCWYRMSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CN1CCOCC1 ZINC001574524537 950867428 /nfs/dbraw/zinc/86/74/28/950867428.db2.gz XZQBSBJPOZHWEM-GJZGRUSLSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CN1CCOCC1 ZINC001574524537 950867442 /nfs/dbraw/zinc/86/74/42/950867442.db2.gz XZQBSBJPOZHWEM-GJZGRUSLSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cc1nc[nH]n1 ZINC001574524718 950874549 /nfs/dbraw/zinc/87/45/49/950874549.db2.gz YVDVXEQHGJKHOU-VHSXEESVSA-N 0 3 375.462 0.662 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768011 950878480 /nfs/dbraw/zinc/87/84/80/950878480.db2.gz SMSQZJFTTHIWLP-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575935351 950878463 /nfs/dbraw/zinc/87/84/63/950878463.db2.gz VPGIVIVBFIJJOZ-SMDDNHRTSA-N 0 3 386.435 0.898 20 0 GCADHN C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575935351 950878488 /nfs/dbraw/zinc/87/84/88/950878488.db2.gz VPGIVIVBFIJJOZ-SMDDNHRTSA-N 0 3 386.435 0.898 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768011 950878501 /nfs/dbraw/zinc/87/85/01/950878501.db2.gz SMSQZJFTTHIWLP-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnnn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574527179 950881744 /nfs/dbraw/zinc/88/17/44/950881744.db2.gz AJLGKSROGRVOTM-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnnn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574527179 950881754 /nfs/dbraw/zinc/88/17/54/950881754.db2.gz AJLGKSROGRVOTM-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)c1cnnn1C ZINC001574527180 950883591 /nfs/dbraw/zinc/88/35/91/950883591.db2.gz AJLGKSROGRVOTM-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)c1cnnn1C ZINC001574527180 950883608 /nfs/dbraw/zinc/88/36/08/950883608.db2.gz AJLGKSROGRVOTM-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN CC1(C)C[C@@H](NC(=O)CC(N)=O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575640821 950904888 /nfs/dbraw/zinc/90/48/88/950904888.db2.gz KWSGBROJSMAGDZ-AWEZNQCLSA-N 0 3 385.472 0.849 20 0 GCADHN CC1(C)C[C@@H](NC(=O)CC(N)=O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575640821 950904900 /nfs/dbraw/zinc/90/49/00/950904900.db2.gz KWSGBROJSMAGDZ-AWEZNQCLSA-N 0 3 385.472 0.849 20 0 GCADHN CC1(C)C[C@@H](NC(=O)CC(N)=O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575640821 950904908 /nfs/dbraw/zinc/90/49/08/950904908.db2.gz KWSGBROJSMAGDZ-AWEZNQCLSA-N 0 3 385.472 0.849 20 0 GCADHN CC1(C)C[C@@H](NC(=O)CC(N)=O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575640821 950904923 /nfs/dbraw/zinc/90/49/23/950904923.db2.gz KWSGBROJSMAGDZ-AWEZNQCLSA-N 0 3 385.472 0.849 20 0 GCADHN C[C@H](C[N@H+](C)C[C@@H](O)Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768927 950906742 /nfs/dbraw/zinc/90/67/42/950906742.db2.gz XUWAJNYRXWIFQL-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[N@@H+](C)C[C@@H](O)Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768927 950906756 /nfs/dbraw/zinc/90/67/56/950906756.db2.gz XUWAJNYRXWIFQL-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1N)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574528941 950943726 /nfs/dbraw/zinc/94/37/26/950943726.db2.gz OSGGTUCWWCUEEF-NEPJUHHUSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1N)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574528941 950943745 /nfs/dbraw/zinc/94/37/45/950943745.db2.gz OSGGTUCWWCUEEF-NEPJUHHUSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1nccnc1N)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574529573 950956824 /nfs/dbraw/zinc/95/68/24/950956824.db2.gz REJFEMWENADBHK-NEPJUHHUSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1nccnc1N)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574529573 950956837 /nfs/dbraw/zinc/95/68/37/950956837.db2.gz REJFEMWENADBHK-NEPJUHHUSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)n1 ZINC001574530028 950971420 /nfs/dbraw/zinc/97/14/20/950971420.db2.gz SKXWTAKOLWTDDZ-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)n1 ZINC001574530028 950971436 /nfs/dbraw/zinc/97/14/36/950971436.db2.gz SKXWTAKOLWTDDZ-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN CC1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001575938118 950973378 /nfs/dbraw/zinc/97/33/78/950973378.db2.gz JHOILOLSEZSLLZ-QOZQQMKHSA-N 0 3 376.436 0.961 20 0 GCADHN CC1CC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001575938118 950973397 /nfs/dbraw/zinc/97/33/97/950973397.db2.gz JHOILOLSEZSLLZ-QOZQQMKHSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC001575017085 950978231 /nfs/dbraw/zinc/97/82/31/950978231.db2.gz HEZPXSOXAMQVJE-CHWSQXEVSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCC[NH+](C)C ZINC001574530889 951006510 /nfs/dbraw/zinc/00/65/10/951006510.db2.gz DJZCDSIJLAEUSB-VXGBXAGGSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCC[NH+](C)C ZINC001574530889 951006528 /nfs/dbraw/zinc/00/65/28/951006528.db2.gz DJZCDSIJLAEUSB-VXGBXAGGSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001575018994 951027294 /nfs/dbraw/zinc/02/72/94/951027294.db2.gz SDAHKXZEBNOBHS-ZFWWWQNUSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001575018994 951027312 /nfs/dbraw/zinc/02/73/12/951027312.db2.gz SDAHKXZEBNOBHS-ZFWWWQNUSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575022727 951069399 /nfs/dbraw/zinc/06/93/99/951069399.db2.gz IRSKYBBSZZPWOF-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575022727 951069410 /nfs/dbraw/zinc/06/94/10/951069410.db2.gz IRSKYBBSZZPWOF-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)s1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575024144 951091871 /nfs/dbraw/zinc/09/18/71/951091871.db2.gz WFDIAQQMJDVBHJ-SNVBAGLBSA-N 0 3 385.453 0.935 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)s1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575024144 951091879 /nfs/dbraw/zinc/09/18/79/951091879.db2.gz WFDIAQQMJDVBHJ-SNVBAGLBSA-N 0 3 385.453 0.935 20 0 GCADHN C[C@H](CNC(=O)c1ccc2nnnn2c1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575025945 951135294 /nfs/dbraw/zinc/13/52/94/951135294.db2.gz DDOAHCNTSSBVML-GFCCVEGCSA-N 0 3 392.427 0.555 20 0 GCADHN C[C@H](CNC(=O)c1ccc2nnnn2c1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575025945 951135303 /nfs/dbraw/zinc/13/53/03/951135303.db2.gz DDOAHCNTSSBVML-GFCCVEGCSA-N 0 3 392.427 0.555 20 0 GCADHN C[C@H](CNC(=O)c1ccc2nnnn2c1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575025945 951135314 /nfs/dbraw/zinc/13/53/14/951135314.db2.gz DDOAHCNTSSBVML-GFCCVEGCSA-N 0 3 392.427 0.555 20 0 GCADHN C[C@H](CNC(=O)c1ccc2nnnn2c1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575025945 951135326 /nfs/dbraw/zinc/13/53/26/951135326.db2.gz DDOAHCNTSSBVML-GFCCVEGCSA-N 0 3 392.427 0.555 20 0 GCADHN C[C@@H](CNC(=O)c1ccc2nnnn2c1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575025949 951135576 /nfs/dbraw/zinc/13/55/76/951135576.db2.gz DDOAHCNTSSBVML-LBPRGKRZSA-N 0 3 392.427 0.555 20 0 GCADHN C[C@@H](CNC(=O)c1ccc2nnnn2c1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575025949 951135585 /nfs/dbraw/zinc/13/55/85/951135585.db2.gz DDOAHCNTSSBVML-LBPRGKRZSA-N 0 3 392.427 0.555 20 0 GCADHN C[C@@H](CNC(=O)c1ccc2nnnn2c1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575025949 951135599 /nfs/dbraw/zinc/13/55/99/951135599.db2.gz DDOAHCNTSSBVML-LBPRGKRZSA-N 0 3 392.427 0.555 20 0 GCADHN C[C@@H](CNC(=O)c1ccc2nnnn2c1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575025949 951135611 /nfs/dbraw/zinc/13/56/11/951135611.db2.gz DDOAHCNTSSBVML-LBPRGKRZSA-N 0 3 392.427 0.555 20 0 GCADHN C[C@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575038194 951315927 /nfs/dbraw/zinc/31/59/27/951315927.db2.gz HEIGALWAZGDQNY-LLVKDONJSA-N 0 3 383.412 0.396 20 0 GCADHN C[C@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575038194 951315943 /nfs/dbraw/zinc/31/59/43/951315943.db2.gz HEIGALWAZGDQNY-LLVKDONJSA-N 0 3 383.412 0.396 20 0 GCADHN C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575055381 951502992 /nfs/dbraw/zinc/50/29/92/951502992.db2.gz SAQXESQYTIVTGZ-GFCCVEGCSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575055513 951508277 /nfs/dbraw/zinc/50/82/77/951508277.db2.gz WAZYHJJAZQWBMN-GFCCVEGCSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575055513 951508282 /nfs/dbraw/zinc/50/82/82/951508282.db2.gz WAZYHJJAZQWBMN-GFCCVEGCSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@H](CNC(=O)c1noc2c1COCC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575065309 951583590 /nfs/dbraw/zinc/58/35/90/951583590.db2.gz GABFOKYVSZGMNQ-LLVKDONJSA-N 0 3 383.412 0.836 20 0 GCADHN C[C@H](CNC(=O)c1noc2c1COCC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575065309 951583595 /nfs/dbraw/zinc/58/35/95/951583595.db2.gz GABFOKYVSZGMNQ-LLVKDONJSA-N 0 3 383.412 0.836 20 0 GCADHN C[C@@H](C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575068548 951633885 /nfs/dbraw/zinc/63/38/85/951633885.db2.gz AKPMGLDSHYJINA-WCQYABFASA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NCC(C)(C)C ZINC001575069176 951641949 /nfs/dbraw/zinc/64/19/49/951641949.db2.gz HBHKYGVNEAGTDV-LLVKDONJSA-N 0 3 376.465 0.313 20 0 GCADHN C[C@@H](C[NH2+][C@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575069869 951647018 /nfs/dbraw/zinc/64/70/18/951647018.db2.gz MPLFBFRNKYUCLX-AAEUAGOBSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575071233 951657672 /nfs/dbraw/zinc/65/76/72/951657672.db2.gz YUPYFESBTZLRBV-WCQYABFASA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575077494 951669104 /nfs/dbraw/zinc/66/91/04/951669104.db2.gz FJTSVJWDMTTWMA-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575077461 951669206 /nfs/dbraw/zinc/66/92/06/951669206.db2.gz DKPFCSSOFLZDKW-WQAKAFBOSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575077492 951669217 /nfs/dbraw/zinc/66/92/17/951669217.db2.gz FJTSVJWDMTTWMA-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1=COCCO1 ZINC001575077552 951671498 /nfs/dbraw/zinc/67/14/98/951671498.db2.gz GOXBBSHWXJMYGQ-NSHDSACASA-N 0 3 376.392 0.831 20 0 GCADHN C[C@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077587 951672870 /nfs/dbraw/zinc/67/28/70/951672870.db2.gz GUEVRSKCDNMIDX-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NCc1ccco1 ZINC001575077985 951675655 /nfs/dbraw/zinc/67/56/55/951675655.db2.gz IWDLHYPOYURIPS-LLVKDONJSA-N 0 3 386.416 0.060 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NCc1ccco1 ZINC001575077985 951675663 /nfs/dbraw/zinc/67/56/63/951675663.db2.gz IWDLHYPOYURIPS-LLVKDONJSA-N 0 3 386.416 0.060 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575078208 951679206 /nfs/dbraw/zinc/67/92/06/951679206.db2.gz JSPXXLRRPLKLNT-DOMZBBRYSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078454 951681560 /nfs/dbraw/zinc/68/15/60/951681560.db2.gz LSCUSYXXZKHBCT-SMDDNHRTSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078454 951681568 /nfs/dbraw/zinc/68/15/68/951681568.db2.gz LSCUSYXXZKHBCT-SMDDNHRTSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078586 951683189 /nfs/dbraw/zinc/68/31/89/951683189.db2.gz KWZDWKPCTFRTEH-GFCCVEGCSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078586 951683193 /nfs/dbraw/zinc/68/31/93/951683193.db2.gz KWZDWKPCTFRTEH-GFCCVEGCSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079512 951692160 /nfs/dbraw/zinc/69/21/60/951692160.db2.gz QFASXWDKGGXUOA-MLGOLLRUSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079512 951692164 /nfs/dbraw/zinc/69/21/64/951692164.db2.gz QFASXWDKGGXUOA-MLGOLLRUSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079893 951699025 /nfs/dbraw/zinc/69/90/25/951699025.db2.gz SKGPDRCQASMCCR-PIGZYNQJSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079893 951699036 /nfs/dbraw/zinc/69/90/36/951699036.db2.gz SKGPDRCQASMCCR-PIGZYNQJSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575079855 951699605 /nfs/dbraw/zinc/69/96/05/951699605.db2.gz HNBJOTBDWXRWTE-FZZIBODNSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575079855 951699607 /nfs/dbraw/zinc/69/96/07/951699607.db2.gz HNBJOTBDWXRWTE-FZZIBODNSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575079857 951699743 /nfs/dbraw/zinc/69/97/43/951699743.db2.gz HROOZBRAUKKABT-IUODEOHRSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575079857 951699747 /nfs/dbraw/zinc/69/97/47/951699747.db2.gz HROOZBRAUKKABT-IUODEOHRSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079955 951700701 /nfs/dbraw/zinc/70/07/01/951700701.db2.gz UFDQGDUOUWJRQD-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079955 951700709 /nfs/dbraw/zinc/70/07/09/951700709.db2.gz UFDQGDUOUWJRQD-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1cnn(C)c1 ZINC001575080116 951704633 /nfs/dbraw/zinc/70/46/33/951704633.db2.gz VHMXHDYVHXQSHR-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575080214 951706267 /nfs/dbraw/zinc/70/62/67/951706267.db2.gz PXYLNXMTBAKUPN-DZGCQCFKSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575080214 951706275 /nfs/dbraw/zinc/70/62/75/951706275.db2.gz PXYLNXMTBAKUPN-DZGCQCFKSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080382 951707697 /nfs/dbraw/zinc/70/76/97/951707697.db2.gz KLYUFAUEWQQCST-NHYWBVRUSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080382 951707700 /nfs/dbraw/zinc/70/77/00/951707700.db2.gz KLYUFAUEWQQCST-NHYWBVRUSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575080391 951708677 /nfs/dbraw/zinc/70/86/77/951708677.db2.gz KTPNVMQWVPNFDE-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575080391 951708679 /nfs/dbraw/zinc/70/86/79/951708679.db2.gz KTPNVMQWVPNFDE-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575080483 951710751 /nfs/dbraw/zinc/71/07/51/951710751.db2.gz WXGGPSIGLGWREV-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1nccnc1N ZINC001575080565 951713324 /nfs/dbraw/zinc/71/33/24/951713324.db2.gz YFBQYVKKWVOONA-JTQLQIEISA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575080743 951714936 /nfs/dbraw/zinc/71/49/36/951714936.db2.gz NIUQZLGLPZTTBV-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575080743 951714938 /nfs/dbraw/zinc/71/49/38/951714938.db2.gz NIUQZLGLPZTTBV-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1COCCO1 ZINC001575080804 951716696 /nfs/dbraw/zinc/71/66/96/951716696.db2.gz ZQCDLYGTHVOELM-NHYWBVRUSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575081767 951726075 /nfs/dbraw/zinc/72/60/75/951726075.db2.gz VGTAYJKKQXZTTM-DTWKUNHWSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575081767 951726078 /nfs/dbraw/zinc/72/60/78/951726078.db2.gz VGTAYJKKQXZTTM-DTWKUNHWSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081937 951728816 /nfs/dbraw/zinc/72/88/16/951728816.db2.gz WUJPNCOXHGNXPK-NWDGAFQWSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081937 951728822 /nfs/dbraw/zinc/72/88/22/951728822.db2.gz WUJPNCOXHGNXPK-NWDGAFQWSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575082437 951734699 /nfs/dbraw/zinc/73/46/99/951734699.db2.gz YXEZNCDLNJQJJW-BDAKNGLRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575082437 951734706 /nfs/dbraw/zinc/73/47/06/951734706.db2.gz YXEZNCDLNJQJJW-BDAKNGLRSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082912 951737602 /nfs/dbraw/zinc/73/76/02/951737602.db2.gz ZLCBIOYSVDIAQS-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082912 951737612 /nfs/dbraw/zinc/73/76/12/951737612.db2.gz ZLCBIOYSVDIAQS-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CCn1ccnn1 ZINC001575088967 951744360 /nfs/dbraw/zinc/74/43/60/951744360.db2.gz DMIMDCBBGIBNTR-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089071 951745962 /nfs/dbraw/zinc/74/59/62/951745962.db2.gz DARQLCXTXVJROU-LLVKDONJSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089071 951745964 /nfs/dbraw/zinc/74/59/64/951745964.db2.gz DARQLCXTXVJROU-LLVKDONJSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089088 951746350 /nfs/dbraw/zinc/74/63/50/951746350.db2.gz DFYXZMJIEWUQJG-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089088 951746356 /nfs/dbraw/zinc/74/63/56/951746356.db2.gz DFYXZMJIEWUQJG-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575089367 951749751 /nfs/dbraw/zinc/74/97/51/951749751.db2.gz GVQVTJOMYYDGPF-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575089681 951751582 /nfs/dbraw/zinc/75/15/82/951751582.db2.gz HJZMLHHPTVACQL-WCQYABFASA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](CNC(=O)CC1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090065 951756807 /nfs/dbraw/zinc/75/68/07/951756807.db2.gz IUQOYGYSYLIRCT-LBPRGKRZSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@H](CNC(=O)CC1CS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090065 951756813 /nfs/dbraw/zinc/75/68/13/951756813.db2.gz IUQOYGYSYLIRCT-LBPRGKRZSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090157 951758400 /nfs/dbraw/zinc/75/84/00/951758400.db2.gz JSZIVTFBFPQZBC-SNVBAGLBSA-N 0 3 388.407 0.601 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090157 951758408 /nfs/dbraw/zinc/75/84/08/951758408.db2.gz JSZIVTFBFPQZBC-SNVBAGLBSA-N 0 3 388.407 0.601 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091050 951769074 /nfs/dbraw/zinc/76/90/74/951769074.db2.gz NDPCIQUSPZUYNX-CJNGLKHVSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091050 951769081 /nfs/dbraw/zinc/76/90/81/951769081.db2.gz NDPCIQUSPZUYNX-CJNGLKHVSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575091228 951772431 /nfs/dbraw/zinc/77/24/31/951772431.db2.gz ONSRUPJJGDXXDL-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091417 951774835 /nfs/dbraw/zinc/77/48/35/951774835.db2.gz SOVOGOZYMIPTHS-SWLSCSKDSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091417 951774839 /nfs/dbraw/zinc/77/48/39/951774839.db2.gz SOVOGOZYMIPTHS-SWLSCSKDSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575091598 951779849 /nfs/dbraw/zinc/77/98/49/951779849.db2.gz SOVQHPVRJXFLRX-KBXCAEBGSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575091598 951779857 /nfs/dbraw/zinc/77/98/57/951779857.db2.gz SOVQHPVRJXFLRX-KBXCAEBGSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091728 951781890 /nfs/dbraw/zinc/78/18/90/951781890.db2.gz WXLWMINQQRJIKQ-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091728 951781894 /nfs/dbraw/zinc/78/18/94/951781894.db2.gz WXLWMINQQRJIKQ-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575092066 951789379 /nfs/dbraw/zinc/78/93/79/951789379.db2.gz YTACNQWTPMEFEU-CYBMUJFWSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575092066 951789384 /nfs/dbraw/zinc/78/93/84/951789384.db2.gz YTACNQWTPMEFEU-CYBMUJFWSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575092493 951793595 /nfs/dbraw/zinc/79/35/95/951793595.db2.gz CCXWLSBPQXBZJS-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575092493 951793603 /nfs/dbraw/zinc/79/36/03/951793603.db2.gz CCXWLSBPQXBZJS-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575093041 951796816 /nfs/dbraw/zinc/79/68/16/951796816.db2.gz HNUUGJWPPMKMHQ-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575093041 951796824 /nfs/dbraw/zinc/79/68/24/951796824.db2.gz HNUUGJWPPMKMHQ-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575094784 951805751 /nfs/dbraw/zinc/80/57/51/951805751.db2.gz PKMCJMRLXQKNRI-LLVKDONJSA-N 0 3 383.412 0.714 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575094784 951805757 /nfs/dbraw/zinc/80/57/57/951805757.db2.gz PKMCJMRLXQKNRI-LLVKDONJSA-N 0 3 383.412 0.714 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575095479 951812435 /nfs/dbraw/zinc/81/24/35/951812435.db2.gz USYUYWMJRCLYGV-PBHICJAKSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575095479 951812444 /nfs/dbraw/zinc/81/24/44/951812444.db2.gz USYUYWMJRCLYGV-PBHICJAKSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001575095688 951813198 /nfs/dbraw/zinc/81/31/98/951813198.db2.gz VSYCSJDXRBYRBN-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001575095688 951813203 /nfs/dbraw/zinc/81/32/03/951813203.db2.gz VSYCSJDXRBYRBN-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098445 951824388 /nfs/dbraw/zinc/82/43/88/951824388.db2.gz DECUNFSZPBHYEJ-VIFPVBQESA-N 0 3 376.446 0.523 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001575101331 951857892 /nfs/dbraw/zinc/85/78/92/951857892.db2.gz BQXOGPJECQXOPC-ADLMAVQZSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001575101331 951857894 /nfs/dbraw/zinc/85/78/94/951857894.db2.gz BQXOGPJECQXOPC-ADLMAVQZSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102379 951867462 /nfs/dbraw/zinc/86/74/62/951867462.db2.gz MIRVFWDXBNREHQ-IAQYHMDHSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102379 951867469 /nfs/dbraw/zinc/86/74/69/951867469.db2.gz MIRVFWDXBNREHQ-IAQYHMDHSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102705 951870727 /nfs/dbraw/zinc/87/07/27/951870727.db2.gz OWDDNXBOUVMXFZ-AAEUAGOBSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102705 951870733 /nfs/dbraw/zinc/87/07/33/951870733.db2.gz OWDDNXBOUVMXFZ-AAEUAGOBSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103619 951877481 /nfs/dbraw/zinc/87/74/81/951877481.db2.gz UOYFFWLLPGTGLG-MNOVXSKESA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103619 951877489 /nfs/dbraw/zinc/87/74/89/951877489.db2.gz UOYFFWLLPGTGLG-MNOVXSKESA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103679 951877800 /nfs/dbraw/zinc/87/78/00/951877800.db2.gz VEWGICSZVFQEGY-GTNSWQLSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103679 951877804 /nfs/dbraw/zinc/87/78/04/951877804.db2.gz VEWGICSZVFQEGY-GTNSWQLSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575104172 951880869 /nfs/dbraw/zinc/88/08/69/951880869.db2.gz XVWOFZJPFGCZLW-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575104172 951880876 /nfs/dbraw/zinc/88/08/76/951880876.db2.gz XVWOFZJPFGCZLW-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1COCCO1 ZINC001575104482 951886572 /nfs/dbraw/zinc/88/65/72/951886572.db2.gz DJCMEFAXZFKARW-IAQYHMDHSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1COCCO1 ZINC001575104482 951886576 /nfs/dbraw/zinc/88/65/76/951886576.db2.gz DJCMEFAXZFKARW-IAQYHMDHSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575105240 951891054 /nfs/dbraw/zinc/89/10/54/951891054.db2.gz IGANYVDDNIDAJF-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575105240 951891059 /nfs/dbraw/zinc/89/10/59/951891059.db2.gz IGANYVDDNIDAJF-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575105239 951891981 /nfs/dbraw/zinc/89/19/81/951891981.db2.gz IGANYVDDNIDAJF-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575105239 951891987 /nfs/dbraw/zinc/89/19/87/951891987.db2.gz IGANYVDDNIDAJF-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001575105422 951893037 /nfs/dbraw/zinc/89/30/37/951893037.db2.gz JFCFXUICAQVAEX-BEFAXECRSA-N 0 3 383.456 0.377 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001575105422 951893046 /nfs/dbraw/zinc/89/30/46/951893046.db2.gz JFCFXUICAQVAEX-BEFAXECRSA-N 0 3 383.456 0.377 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575105817 951899449 /nfs/dbraw/zinc/89/94/49/951899449.db2.gz OBJQJTYXONNRKX-ZRGWGRIASA-N 0 3 383.456 0.363 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575105817 951899451 /nfs/dbraw/zinc/89/94/51/951899451.db2.gz OBJQJTYXONNRKX-ZRGWGRIASA-N 0 3 383.456 0.363 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575106888 951909545 /nfs/dbraw/zinc/90/95/45/951909545.db2.gz VYUPDIZMZYRNRK-RNCFNFMXSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575106888 951909546 /nfs/dbraw/zinc/90/95/46/951909546.db2.gz VYUPDIZMZYRNRK-RNCFNFMXSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575106889 951909870 /nfs/dbraw/zinc/90/98/70/951909870.db2.gz VYUPDIZMZYRNRK-TVQRCGJNSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575106889 951909876 /nfs/dbraw/zinc/90/98/76/951909876.db2.gz VYUPDIZMZYRNRK-TVQRCGJNSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107326 951917733 /nfs/dbraw/zinc/91/77/33/951917733.db2.gz CPZFKPATTFAISL-LLVKDONJSA-N 0 3 383.412 0.714 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107326 951917739 /nfs/dbraw/zinc/91/77/39/951917739.db2.gz CPZFKPATTFAISL-LLVKDONJSA-N 0 3 383.412 0.714 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107675 951921366 /nfs/dbraw/zinc/92/13/66/951921366.db2.gz HOLPOYNLVJIKNX-XPKDYRNWSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107675 951921372 /nfs/dbraw/zinc/92/13/72/951921372.db2.gz HOLPOYNLVJIKNX-XPKDYRNWSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575107952 951923385 /nfs/dbraw/zinc/92/33/85/951923385.db2.gz JQDSPXSXHHEZPS-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575107952 951923391 /nfs/dbraw/zinc/92/33/91/951923391.db2.gz JQDSPXSXHHEZPS-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575109504 951930554 /nfs/dbraw/zinc/93/05/54/951930554.db2.gz RNEPFDJKSFBUEJ-ZDUSSCGKSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575109504 951930556 /nfs/dbraw/zinc/93/05/56/951930556.db2.gz RNEPFDJKSFBUEJ-ZDUSSCGKSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575110269 951939315 /nfs/dbraw/zinc/93/93/15/951939315.db2.gz ZBFJNNUVBPTEBA-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575110269 951939317 /nfs/dbraw/zinc/93/93/17/951939317.db2.gz ZBFJNNUVBPTEBA-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113643 951942733 /nfs/dbraw/zinc/94/27/33/951942733.db2.gz COCHJDRYCSPHDF-SWLSCSKDSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113643 951942736 /nfs/dbraw/zinc/94/27/36/951942736.db2.gz COCHJDRYCSPHDF-SWLSCSKDSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113823 951947435 /nfs/dbraw/zinc/94/74/35/951947435.db2.gz GSODUWKZULDHNK-GFCCVEGCSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113823 951947440 /nfs/dbraw/zinc/94/74/40/951947440.db2.gz GSODUWKZULDHNK-GFCCVEGCSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575113894 951948739 /nfs/dbraw/zinc/94/87/39/951948739.db2.gz HSJMMMKBCPJOEB-DNVCBOLYSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575113894 951948746 /nfs/dbraw/zinc/94/87/46/951948746.db2.gz HSJMMMKBCPJOEB-DNVCBOLYSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114125 951954603 /nfs/dbraw/zinc/95/46/03/951954603.db2.gz NBNJHCVSQVYPBC-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114125 951954608 /nfs/dbraw/zinc/95/46/08/951954608.db2.gz NBNJHCVSQVYPBC-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575186023 952436307 /nfs/dbraw/zinc/43/63/07/952436307.db2.gz XULICCWBKRZWNW-UBHSHLNASA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575186023 952436312 /nfs/dbraw/zinc/43/63/12/952436312.db2.gz XULICCWBKRZWNW-UBHSHLNASA-N 0 3 392.485 0.284 20 0 GCADHN CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571116912 952477904 /nfs/dbraw/zinc/47/79/04/952477904.db2.gz FTBVRHFAGHXOCH-KCPJHIHWSA-N 0 3 375.433 0.050 20 0 GCADHN CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571116912 952477906 /nfs/dbraw/zinc/47/79/06/952477906.db2.gz FTBVRHFAGHXOCH-KCPJHIHWSA-N 0 3 375.433 0.050 20 0 GCADHN CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571116912 952477911 /nfs/dbraw/zinc/47/79/11/952477911.db2.gz FTBVRHFAGHXOCH-KCPJHIHWSA-N 0 3 375.433 0.050 20 0 GCADHN CO[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571116912 952477914 /nfs/dbraw/zinc/47/79/14/952477914.db2.gz FTBVRHFAGHXOCH-KCPJHIHWSA-N 0 3 375.433 0.050 20 0 GCADHN Cc1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)cn1 ZINC001571121176 952516781 /nfs/dbraw/zinc/51/67/81/952516781.db2.gz XBIWAHCYLAJPOO-QLPKVWCKSA-N 0 3 376.424 0.825 20 0 GCADHN Cc1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)cn1 ZINC001571121176 952516784 /nfs/dbraw/zinc/51/67/84/952516784.db2.gz XBIWAHCYLAJPOO-QLPKVWCKSA-N 0 3 376.424 0.825 20 0 GCADHN Cc1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)cn1 ZINC001571121176 952516787 /nfs/dbraw/zinc/51/67/87/952516787.db2.gz XBIWAHCYLAJPOO-QLPKVWCKSA-N 0 3 376.424 0.825 20 0 GCADHN Cc1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)cn1 ZINC001571121176 952516788 /nfs/dbraw/zinc/51/67/88/952516788.db2.gz XBIWAHCYLAJPOO-QLPKVWCKSA-N 0 3 376.424 0.825 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571121601 952521070 /nfs/dbraw/zinc/52/10/70/952521070.db2.gz AMXGAMXILRPLSI-ZYHUDNBSSA-N 0 3 376.852 0.562 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571121601 952521074 /nfs/dbraw/zinc/52/10/74/952521074.db2.gz AMXGAMXILRPLSI-ZYHUDNBSSA-N 0 3 376.852 0.562 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571121601 952521076 /nfs/dbraw/zinc/52/10/76/952521076.db2.gz AMXGAMXILRPLSI-ZYHUDNBSSA-N 0 3 376.852 0.562 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571121601 952521078 /nfs/dbraw/zinc/52/10/78/952521078.db2.gz AMXGAMXILRPLSI-ZYHUDNBSSA-N 0 3 376.852 0.562 20 0 GCADHN COCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571135895 952609898 /nfs/dbraw/zinc/60/98/98/952609898.db2.gz HHJHKEFOTYMQJF-NHYWBVRUSA-N 0 3 378.408 0.358 20 0 GCADHN C[NH+](C)CCN1CCN(C(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)CC1 ZINC001571140024 952623497 /nfs/dbraw/zinc/62/34/97/952623497.db2.gz NJXRQVHPKYXWQR-UHFFFAOYSA-N 0 3 379.415 0.664 20 0 GCADHN C[NH+](C)CCN1CCN(C(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)CC1 ZINC001571140024 952623500 /nfs/dbraw/zinc/62/35/00/952623500.db2.gz NJXRQVHPKYXWQR-UHFFFAOYSA-N 0 3 379.415 0.664 20 0 GCADHN Cn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)ccc1=O ZINC001571140663 952627901 /nfs/dbraw/zinc/62/79/01/952627901.db2.gz DQXGGYHYKPQOLU-OAHLLOKOSA-N 0 3 379.424 0.570 20 0 GCADHN Cn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)ccc1=O ZINC001571140663 952627903 /nfs/dbraw/zinc/62/79/03/952627903.db2.gz DQXGGYHYKPQOLU-OAHLLOKOSA-N 0 3 379.424 0.570 20 0 GCADHN O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(-c2nn[n-]n2)ccn1 ZINC001571142071 952639209 /nfs/dbraw/zinc/63/92/09/952639209.db2.gz OUEQROXACXZIHX-LJQANCHMSA-N 0 3 379.424 0.629 20 0 GCADHN O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2nn[n-]n2)ccn1 ZINC001571142071 952639212 /nfs/dbraw/zinc/63/92/12/952639212.db2.gz OUEQROXACXZIHX-LJQANCHMSA-N 0 3 379.424 0.629 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571155138 952692438 /nfs/dbraw/zinc/69/24/38/952692438.db2.gz IVVXRGZMESSLJV-IAQYHMDHSA-N 0 3 380.412 0.200 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571155138 952692446 /nfs/dbraw/zinc/69/24/46/952692446.db2.gz IVVXRGZMESSLJV-IAQYHMDHSA-N 0 3 380.412 0.200 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571155140 952692476 /nfs/dbraw/zinc/69/24/76/952692476.db2.gz IVVXRGZMESSLJV-XHDPSFHLSA-N 0 3 380.412 0.200 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571155140 952692481 /nfs/dbraw/zinc/69/24/81/952692481.db2.gz IVVXRGZMESSLJV-XHDPSFHLSA-N 0 3 380.412 0.200 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cncnc3)C2)cc1-c1nnn[n-]1 ZINC001571158198 952709989 /nfs/dbraw/zinc/70/99/89/952709989.db2.gz DMILAOUOXIEANE-AWEZNQCLSA-N 0 3 380.412 0.670 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cncnc3)C2)cc1-c1nn[n-]n1 ZINC001571158198 952709995 /nfs/dbraw/zinc/70/99/95/952709995.db2.gz DMILAOUOXIEANE-AWEZNQCLSA-N 0 3 380.412 0.670 20 0 GCADHN NC(=O)c1c[nH]c(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001571161605 952734060 /nfs/dbraw/zinc/73/40/60/952734060.db2.gz YOKIDXNTSRUIQN-CQSZACIVSA-N 0 3 380.412 0.298 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571169527 952774528 /nfs/dbraw/zinc/77/45/28/952774528.db2.gz FYELUFVHZGKPOR-RHSMWYFYSA-N 0 3 380.456 0.948 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571169527 952774535 /nfs/dbraw/zinc/77/45/35/952774535.db2.gz FYELUFVHZGKPOR-RHSMWYFYSA-N 0 3 380.456 0.948 20 0 GCADHN C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571170845 952789819 /nfs/dbraw/zinc/78/98/19/952789819.db2.gz XPZYJFLIHHAXJP-CXAGYDPISA-N 0 3 380.456 0.779 20 0 GCADHN C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571170845 952789825 /nfs/dbraw/zinc/78/98/25/952789825.db2.gz XPZYJFLIHHAXJP-CXAGYDPISA-N 0 3 380.456 0.779 20 0 GCADHN Cc1cc(N[C@H]2C[C@@H](CNC(=O)c3cnc[nH]c3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571175315 952819962 /nfs/dbraw/zinc/81/99/62/952819962.db2.gz SDBGUMHEPDNDTR-PHIMTYICSA-N 0 3 381.400 0.108 20 0 GCADHN Cc1cc(N[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571175749 952824732 /nfs/dbraw/zinc/82/47/32/952824732.db2.gz YLYRUCZLKQGQDE-GXFFZTMASA-N 0 3 381.400 0.203 20 0 GCADHN Cc1cc(N[C@H]2CCN(C(=O)c3cnc[nH]c3=O)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571175751 952825233 /nfs/dbraw/zinc/82/52/33/952825233.db2.gz YLYRUCZLKQGQDE-MFKMUULPSA-N 0 3 381.400 0.203 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC001571182879 952871172 /nfs/dbraw/zinc/87/11/72/952871172.db2.gz IJNXKVZIEPJUBX-SJKOYZFVSA-N 0 3 381.440 0.937 20 0 GCADHN C[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001571183550 952879475 /nfs/dbraw/zinc/87/94/75/952879475.db2.gz DHIORQKTSNGMHM-ZFWWWQNUSA-N 0 3 381.444 0.485 20 0 GCADHN C[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001571183550 952879481 /nfs/dbraw/zinc/87/94/81/952879481.db2.gz DHIORQKTSNGMHM-ZFWWWQNUSA-N 0 3 381.444 0.485 20 0 GCADHN CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571183619 952880937 /nfs/dbraw/zinc/88/09/37/952880937.db2.gz FTLCXBLOSDYGJR-UHFFFAOYSA-N 0 3 381.444 0.871 20 0 GCADHN CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571183619 952880943 /nfs/dbraw/zinc/88/09/43/952880943.db2.gz FTLCXBLOSDYGJR-UHFFFAOYSA-N 0 3 381.444 0.871 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001571186134 952905253 /nfs/dbraw/zinc/90/52/53/952905253.db2.gz TWHDZQIONNHFOM-CQSZACIVSA-N 0 3 381.444 0.730 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001571186134 952905258 /nfs/dbraw/zinc/90/52/58/952905258.db2.gz TWHDZQIONNHFOM-CQSZACIVSA-N 0 3 381.444 0.730 20 0 GCADHN CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001571186108 952905852 /nfs/dbraw/zinc/90/58/52/952905852.db2.gz SPXNOZGBYUVUHW-HNNXBMFYSA-N 0 3 381.444 0.873 20 0 GCADHN CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001571186108 952905856 /nfs/dbraw/zinc/90/58/56/952905856.db2.gz SPXNOZGBYUVUHW-HNNXBMFYSA-N 0 3 381.444 0.873 20 0 GCADHN Cc1cc(NC[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187872 952910128 /nfs/dbraw/zinc/91/01/28/952910128.db2.gz CKFOQAMCLIHBGY-DGCLKSJQSA-N 0 3 381.444 0.464 20 0 GCADHN Cc1cc(N[C@H](C)[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188129 952912359 /nfs/dbraw/zinc/91/23/59/952912359.db2.gz GEVDIWWRNTUJRN-CHWSQXEVSA-N 0 3 381.444 0.607 20 0 GCADHN O=C(CCn1cncn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571188623 952916957 /nfs/dbraw/zinc/91/69/57/952916957.db2.gz FJFDXXJBJZRIEE-HNNXBMFYSA-N 0 3 381.444 0.487 20 0 GCADHN O=C(CCn1cncn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571188623 952916960 /nfs/dbraw/zinc/91/69/60/952916960.db2.gz FJFDXXJBJZRIEE-HNNXBMFYSA-N 0 3 381.444 0.487 20 0 GCADHN Cn1ncc(C(=O)NCC2CC[NH+](Cc3ccccc3-c3nnn[n-]3)CC2)n1 ZINC001571188705 952918190 /nfs/dbraw/zinc/91/81/90/952918190.db2.gz GLYJRPGXRLRMKQ-UHFFFAOYSA-N 0 3 381.444 0.637 20 0 GCADHN Cn1ncc(C(=O)NCC2CC[NH+](Cc3ccccc3-c3nn[n-]n3)CC2)n1 ZINC001571188705 952918193 /nfs/dbraw/zinc/91/81/93/952918193.db2.gz GLYJRPGXRLRMKQ-UHFFFAOYSA-N 0 3 381.444 0.637 20 0 GCADHN Cn1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001571188932 952921574 /nfs/dbraw/zinc/92/15/74/952921574.db2.gz KIWFNVZPLGOGBZ-HNNXBMFYSA-N 0 3 381.444 0.780 20 0 GCADHN Cn1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001571188932 952921575 /nfs/dbraw/zinc/92/15/75/952921575.db2.gz KIWFNVZPLGOGBZ-HNNXBMFYSA-N 0 3 381.444 0.780 20 0 GCADHN O=C(CCn1cncn1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571188960 952922892 /nfs/dbraw/zinc/92/28/92/952922892.db2.gz KUEFEKVNMUFVGF-OAHLLOKOSA-N 0 3 381.444 0.629 20 0 GCADHN O=C(CCn1cncn1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571188960 952922898 /nfs/dbraw/zinc/92/28/98/952922898.db2.gz KUEFEKVNMUFVGF-OAHLLOKOSA-N 0 3 381.444 0.629 20 0 GCADHN Cn1ncc(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571189326 952927604 /nfs/dbraw/zinc/92/76/04/952927604.db2.gz PSYUBUCFDHPCJK-KGLIPLIRSA-N 0 3 381.444 0.826 20 0 GCADHN Cn1ncc(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571189326 952927610 /nfs/dbraw/zinc/92/76/10/952927610.db2.gz PSYUBUCFDHPCJK-KGLIPLIRSA-N 0 3 381.444 0.826 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001571198741 952992620 /nfs/dbraw/zinc/99/26/20/952992620.db2.gz FINPTMMHDKMCAF-AWEZNQCLSA-N 0 3 382.428 0.613 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571199162 952996778 /nfs/dbraw/zinc/99/67/78/952996778.db2.gz MQZXRQOBPMQUSS-YGRLFVJLSA-N 0 3 382.428 0.854 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571199162 952996785 /nfs/dbraw/zinc/99/67/85/952996785.db2.gz MQZXRQOBPMQUSS-YGRLFVJLSA-N 0 3 382.428 0.854 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571199203 952997413 /nfs/dbraw/zinc/99/74/13/952997413.db2.gz NBZMZGTVCKQLPW-UHFFFAOYSA-N 0 3 382.428 0.902 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571199203 952997421 /nfs/dbraw/zinc/99/74/21/952997421.db2.gz NBZMZGTVCKQLPW-UHFFFAOYSA-N 0 3 382.428 0.902 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccn[nH]3)C2)cc1-c1nnn[n-]1 ZINC001571199478 953000706 /nfs/dbraw/zinc/00/07/06/953000706.db2.gz SLFGZSRAVXVZLZ-BETUJISGSA-N 0 3 382.428 0.897 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3ccn[nH]3)C2)cc1-c1nn[n-]n1 ZINC001571199478 953000709 /nfs/dbraw/zinc/00/07/09/953000709.db2.gz SLFGZSRAVXVZLZ-BETUJISGSA-N 0 3 382.428 0.897 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571200408 953008371 /nfs/dbraw/zinc/00/83/71/953008371.db2.gz IHSZUDXKABDCNL-SMDDNHRTSA-N 0 3 382.428 0.556 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571200408 953008375 /nfs/dbraw/zinc/00/83/75/953008375.db2.gz IHSZUDXKABDCNL-SMDDNHRTSA-N 0 3 382.428 0.556 20 0 GCADHN Cn1c(C(=O)NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c[nH]c1=O ZINC001571204991 953035326 /nfs/dbraw/zinc/03/53/26/953035326.db2.gz FDSNBPPELIUBRN-UHFFFAOYSA-N 0 3 382.428 0.700 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ncnn1 ZINC001571205445 953038472 /nfs/dbraw/zinc/03/84/72/953038472.db2.gz JAYKSPFECOEDCJ-IUODEOHRSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001571205445 953038475 /nfs/dbraw/zinc/03/84/75/953038475.db2.gz JAYKSPFECOEDCJ-IUODEOHRSA-N 0 3 382.432 0.023 20 0 GCADHN Cn1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cc1=O ZINC001571206450 953051021 /nfs/dbraw/zinc/05/10/21/953051021.db2.gz PSHBCGBROXHUSN-MQMHXKEQSA-N 0 3 382.428 0.192 20 0 GCADHN Cn1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cc1=O ZINC001571206450 953051024 /nfs/dbraw/zinc/05/10/24/953051024.db2.gz PSHBCGBROXHUSN-MQMHXKEQSA-N 0 3 382.428 0.192 20 0 GCADHN O=C(Cc1ncc[nH]1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571207359 953062937 /nfs/dbraw/zinc/06/29/37/953062937.db2.gz YMPJUIJYEQUFSK-HNNXBMFYSA-N 0 3 382.428 0.150 20 0 GCADHN O=C(Cc1ncc[nH]1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571207359 953062938 /nfs/dbraw/zinc/06/29/38/953062938.db2.gz YMPJUIJYEQUFSK-HNNXBMFYSA-N 0 3 382.428 0.150 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001571207688 953065819 /nfs/dbraw/zinc/06/58/19/953065819.db2.gz ZUOWGULVNVRHGZ-CPCZMJQVSA-N 0 3 382.432 0.166 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001571207688 953065822 /nfs/dbraw/zinc/06/58/22/953065822.db2.gz ZUOWGULVNVRHGZ-CPCZMJQVSA-N 0 3 382.432 0.166 20 0 GCADHN Cn1nnc(C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC001571210029 953070905 /nfs/dbraw/zinc/07/09/05/953070905.db2.gz LZUADXKIZMWWBI-UHFFFAOYSA-N 0 3 382.432 0.175 20 0 GCADHN Cn1nnc(C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001571210029 953070911 /nfs/dbraw/zinc/07/09/11/953070911.db2.gz LZUADXKIZMWWBI-UHFFFAOYSA-N 0 3 382.432 0.175 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H]1C ZINC001571211455 953076494 /nfs/dbraw/zinc/07/64/94/953076494.db2.gz BEEKGZCSRZKEAE-YPMHNXCESA-N 0 3 382.432 0.784 20 0 GCADHN Cc1cc(N(C)C[C@H]2CCCN(C(=O)c3cn[nH]n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211935 953082683 /nfs/dbraw/zinc/08/26/83/953082683.db2.gz ISVZYOQXSGILEB-GFCCVEGCSA-N 0 3 382.432 0.677 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571211994 953082818 /nfs/dbraw/zinc/08/28/18/953082818.db2.gz GZTTYMQGQOGBCI-UHOFOFEASA-N 0 3 382.472 0.862 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571211994 953082826 /nfs/dbraw/zinc/08/28/26/953082826.db2.gz GZTTYMQGQOGBCI-UHOFOFEASA-N 0 3 382.472 0.862 20 0 GCADHN Cc1cc(N[C@H]2CCN(C(=O)Cc3nnc[nH]3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212108 953083450 /nfs/dbraw/zinc/08/34/50/953083450.db2.gz IZIXCXNQJSNEBT-GWCFXTLKSA-N 0 3 382.432 0.002 20 0 GCADHN Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571212922 953091870 /nfs/dbraw/zinc/09/18/70/953091870.db2.gz OGFCUWIYRBJHDJ-KFWWJZLASA-N 0 3 382.472 0.701 20 0 GCADHN Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)ccc1-c1nnn[n-]1 ZINC001571212922 953091874 /nfs/dbraw/zinc/09/18/74/953091874.db2.gz OGFCUWIYRBJHDJ-KFWWJZLASA-N 0 3 382.472 0.701 20 0 GCADHN Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571212922 953091879 /nfs/dbraw/zinc/09/18/79/953091879.db2.gz OGFCUWIYRBJHDJ-KFWWJZLASA-N 0 3 382.472 0.701 20 0 GCADHN Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)ccc1-c1nn[n-]n1 ZINC001571212922 953091884 /nfs/dbraw/zinc/09/18/84/953091884.db2.gz OGFCUWIYRBJHDJ-KFWWJZLASA-N 0 3 382.472 0.701 20 0 GCADHN Cc1cc(N(C)C[C@H]2CCCCN2C(=O)c2cn[nH]n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571213429 953095614 /nfs/dbraw/zinc/09/56/14/953095614.db2.gz SSVSUKXWRQWAOV-GFCCVEGCSA-N 0 3 382.432 0.819 20 0 GCADHN Cc1nc(N2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)ccc1-c1nn[n-]n1 ZINC001571214432 953101643 /nfs/dbraw/zinc/10/16/43/953101643.db2.gz YOAMIRHXFXNRLV-CQSZACIVSA-N 0 3 382.472 0.703 20 0 GCADHN Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)ccc1-c1nn[n-]n1 ZINC001571217967 953111916 /nfs/dbraw/zinc/11/19/16/953111916.db2.gz JQKSBNDMEOZYHH-QLPKVWCKSA-N 0 3 382.472 0.463 20 0 GCADHN Cc1c[nH]c(C(=O)NC[C@@H]2COCCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)n1 ZINC001571226972 953157578 /nfs/dbraw/zinc/15/75/78/953157578.db2.gz YCXQRUYFBQIWLR-GFCCVEGCSA-N 0 3 383.416 0.237 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571230585 953178282 /nfs/dbraw/zinc/17/82/82/953178282.db2.gz GOESPRPEFFPWOZ-INIZCTEOSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571230585 953178284 /nfs/dbraw/zinc/17/82/84/953178284.db2.gz GOESPRPEFFPWOZ-INIZCTEOSA-N 0 3 383.456 0.426 20 0 GCADHN CN1C[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1=O ZINC001571230645 953178754 /nfs/dbraw/zinc/17/87/54/953178754.db2.gz HREJSGSERWWIFN-SIWZUTFBSA-N 0 3 383.456 0.329 20 0 GCADHN CN1C[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1=O ZINC001571230645 953178756 /nfs/dbraw/zinc/17/87/56/953178756.db2.gz HREJSGSERWWIFN-SIWZUTFBSA-N 0 3 383.456 0.329 20 0 GCADHN CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571230759 953179617 /nfs/dbraw/zinc/17/96/17/953179617.db2.gz JPVANIHEVRGXHG-JKSUJKDBSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571230759 953179618 /nfs/dbraw/zinc/17/96/18/953179618.db2.gz JPVANIHEVRGXHG-JKSUJKDBSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571231158 953183433 /nfs/dbraw/zinc/18/34/33/953183433.db2.gz UPTNLFFYTWHQKR-HOCLYGCPSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571231158 953183437 /nfs/dbraw/zinc/18/34/37/953183437.db2.gz UPTNLFFYTWHQKR-HOCLYGCPSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571231406 953183986 /nfs/dbraw/zinc/18/39/86/953183986.db2.gz WFCQHFXWBXWWSK-GOEBONIOSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571231406 953183991 /nfs/dbraw/zinc/18/39/91/953183991.db2.gz WFCQHFXWBXWWSK-GOEBONIOSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571231407 953184220 /nfs/dbraw/zinc/18/42/20/953184220.db2.gz WFCQHFXWBXWWSK-HOCLYGCPSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571231407 953184222 /nfs/dbraw/zinc/18/42/22/953184222.db2.gz WFCQHFXWBXWWSK-HOCLYGCPSA-N 0 3 383.456 0.568 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571232135 953186179 /nfs/dbraw/zinc/18/61/79/953186179.db2.gz BRTDXTVZKJACJH-YDHLFZDLSA-N 0 3 383.460 0.321 20 0 GCADHN CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571232135 953186181 /nfs/dbraw/zinc/18/61/81/953186181.db2.gz BRTDXTVZKJACJH-YDHLFZDLSA-N 0 3 383.460 0.321 20 0 GCADHN O=C(CN1CCCCC1=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571232418 953186900 /nfs/dbraw/zinc/18/69/00/953186900.db2.gz FGNHMIBQKUDSQU-INIZCTEOSA-N 0 3 383.456 0.570 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571232308 953187024 /nfs/dbraw/zinc/18/70/24/953187024.db2.gz DLFGVVVPGDJUPK-HUUCEWRRSA-N 0 3 383.456 0.616 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571232308 953187028 /nfs/dbraw/zinc/18/70/28/953187028.db2.gz DLFGVVVPGDJUPK-HUUCEWRRSA-N 0 3 383.456 0.616 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571232306 953187159 /nfs/dbraw/zinc/18/71/59/953187159.db2.gz DLFGVVVPGDJUPK-CABCVRRESA-N 0 3 383.456 0.616 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571232306 953187163 /nfs/dbraw/zinc/18/71/63/953187163.db2.gz DLFGVVVPGDJUPK-CABCVRRESA-N 0 3 383.456 0.616 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)NC1CC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571232537 953187757 /nfs/dbraw/zinc/18/77/57/953187757.db2.gz HUHOJENDEATJAS-BLZCZZARSA-N 0 3 383.456 0.520 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)NC1CC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571232537 953187759 /nfs/dbraw/zinc/18/77/59/953187759.db2.gz HUHOJENDEATJAS-BLZCZZARSA-N 0 3 383.456 0.520 20 0 GCADHN O=C(NC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1)[C@H]1CCNC(=O)C1 ZINC001571232711 953188414 /nfs/dbraw/zinc/18/84/14/953188414.db2.gz JOTRLADZDXFGJI-ZDUSSCGKSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001571233293 953191298 /nfs/dbraw/zinc/19/12/98/953191298.db2.gz RERVSWIUZJEGOE-CZUORRHYSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001571233293 953191301 /nfs/dbraw/zinc/19/13/01/953191301.db2.gz RERVSWIUZJEGOE-CZUORRHYSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001571233293 953191302 /nfs/dbraw/zinc/19/13/02/953191302.db2.gz RERVSWIUZJEGOE-CZUORRHYSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001571233293 953191304 /nfs/dbraw/zinc/19/13/04/953191304.db2.gz RERVSWIUZJEGOE-CZUORRHYSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@H]([NH2+]Cc1cncn1C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571233297 953191320 /nfs/dbraw/zinc/19/13/20/953191320.db2.gz RGVRNISZUFTTIN-GFCCVEGCSA-N 0 3 383.460 0.959 20 0 GCADHN C[C@@H]([NH2+]Cc1cnn(C)c1)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571233364 953192044 /nfs/dbraw/zinc/19/20/44/953192044.db2.gz SXRYWWIYADCYRL-GFCCVEGCSA-N 0 3 383.460 0.959 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C[NH2+]Cc1cncn1C ZINC001571233426 953192571 /nfs/dbraw/zinc/19/25/71/953192571.db2.gz UYXSSUXRECEOJJ-QWHCGFSZSA-N 0 3 383.460 0.816 20 0 GCADHN CCn1cc(CC[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571233447 953192819 /nfs/dbraw/zinc/19/28/19/953192819.db2.gz VNFJETIRVXUCBO-OCCSQVGLSA-N 0 3 383.460 0.847 20 0 GCADHN CCn1cc(CC[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571233447 953192823 /nfs/dbraw/zinc/19/28/23/953192823.db2.gz VNFJETIRVXUCBO-OCCSQVGLSA-N 0 3 383.460 0.847 20 0 GCADHN O=C(C[C@H]1CCCC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571233467 953192888 /nfs/dbraw/zinc/19/28/88/953192888.db2.gz VTNDZXZKAMVZJD-HUUCEWRRSA-N 0 3 383.456 0.616 20 0 GCADHN O=C(C[C@H]1CCCC(=O)N1)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571233467 953192890 /nfs/dbraw/zinc/19/28/90/953192890.db2.gz VTNDZXZKAMVZJD-HUUCEWRRSA-N 0 3 383.456 0.616 20 0 GCADHN O=C([C@H]1CCC(=O)NC1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571233498 953193398 /nfs/dbraw/zinc/19/33/98/953193398.db2.gz WSBJVEARDMEWCF-HIFRSBDPSA-N 0 3 383.456 0.331 20 0 GCADHN O=C([C@H]1CCC(=O)NC1)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571233498 953193400 /nfs/dbraw/zinc/19/34/00/953193400.db2.gz WSBJVEARDMEWCF-HIFRSBDPSA-N 0 3 383.456 0.331 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C[NH2+]Cc1cncn1C ZINC001571233612 953194712 /nfs/dbraw/zinc/19/47/12/953194712.db2.gz YLFFGWMSFPMQQP-GXTWGEPZSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C[NH2+]Cc1cncn1C ZINC001571233614 953194791 /nfs/dbraw/zinc/19/47/91/953194791.db2.gz YLFFGWMSFPMQQP-OCCSQVGLSA-N 0 3 383.460 0.816 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001571233729 953195359 /nfs/dbraw/zinc/19/53/59/953195359.db2.gz BUZRPYOHHNGPBG-UBHSHLNASA-N 0 3 383.460 0.096 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001571233729 953195361 /nfs/dbraw/zinc/19/53/61/953195361.db2.gz BUZRPYOHHNGPBG-UBHSHLNASA-N 0 3 383.460 0.096 20 0 GCADHN CN(C(=O)Cn1ccnc1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571238771 953232482 /nfs/dbraw/zinc/23/24/82/953232482.db2.gz ABVGISSQTJACTK-UHFFFAOYSA-N 0 3 384.419 0.982 20 0 GCADHN CN(C(=O)Cn1ccnc1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571238771 953232484 /nfs/dbraw/zinc/23/24/84/953232484.db2.gz ABVGISSQTJACTK-UHFFFAOYSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571239151 953236659 /nfs/dbraw/zinc/23/66/59/953236659.db2.gz GOZLPEPNJLSVHE-BDJLRTHQSA-N 0 3 384.419 0.990 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571239151 953236661 /nfs/dbraw/zinc/23/66/61/953236661.db2.gz GOZLPEPNJLSVHE-BDJLRTHQSA-N 0 3 384.419 0.990 20 0 GCADHN C[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571239193 953236995 /nfs/dbraw/zinc/23/69/95/953236995.db2.gz HMGPVGOSFDXLKL-NHYWBVRUSA-N 0 3 384.419 0.990 20 0 GCADHN O=C(C[C@@H]1COC(=O)C1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571241834 953250640 /nfs/dbraw/zinc/25/06/40/953250640.db2.gz MMRGSLAKPANZHJ-GOEBONIOSA-N 0 3 384.440 0.901 20 0 GCADHN O=C(C[C@@H]1COC(=O)C1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571241834 953250643 /nfs/dbraw/zinc/25/06/43/953250643.db2.gz MMRGSLAKPANZHJ-GOEBONIOSA-N 0 3 384.440 0.901 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571241946 953251158 /nfs/dbraw/zinc/25/11/58/953251158.db2.gz QLJMSNJWTSLYIE-RUAUBTSSSA-N 0 3 384.440 0.660 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571241946 953251162 /nfs/dbraw/zinc/25/11/62/953251162.db2.gz QLJMSNJWTSLYIE-RUAUBTSSSA-N 0 3 384.440 0.660 20 0 GCADHN Cc1cnn(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)c1 ZINC001571242042 953252440 /nfs/dbraw/zinc/25/24/40/953252440.db2.gz UARHHEUDSFHELH-CQSZACIVSA-N 0 3 384.419 0.901 20 0 GCADHN Cc1cnn(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)c1 ZINC001571242042 953252446 /nfs/dbraw/zinc/25/24/46/953252446.db2.gz UARHHEUDSFHELH-CQSZACIVSA-N 0 3 384.419 0.901 20 0 GCADHN Cc1nc(N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1-c1nnn[n-]1 ZINC001571252115 953323700 /nfs/dbraw/zinc/32/37/00/953323700.db2.gz HWNOEBLPAZGHFS-IIAWOOMASA-N 0 3 384.488 0.947 20 0 GCADHN Cc1nc(N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc1-c1nnn[n-]1 ZINC001571252115 953323707 /nfs/dbraw/zinc/32/37/07/953323707.db2.gz HWNOEBLPAZGHFS-IIAWOOMASA-N 0 3 384.488 0.947 20 0 GCADHN Cc1nc(N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1-c1nn[n-]n1 ZINC001571252115 953323712 /nfs/dbraw/zinc/32/37/12/953323712.db2.gz HWNOEBLPAZGHFS-IIAWOOMASA-N 0 3 384.488 0.947 20 0 GCADHN Cc1nc(N2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc1-c1nn[n-]n1 ZINC001571252115 953323717 /nfs/dbraw/zinc/32/37/17/953323717.db2.gz HWNOEBLPAZGHFS-IIAWOOMASA-N 0 3 384.488 0.947 20 0 GCADHN Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C(C)C)[NH+](C)C)ccc1-c1nn[n-]n1 ZINC001571252664 953331636 /nfs/dbraw/zinc/33/16/36/953331636.db2.gz SXESUCPTMXYJAC-ZQIUZPCESA-N 0 3 384.488 0.946 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571252738 953332614 /nfs/dbraw/zinc/33/26/14/953332614.db2.gz VIZAPFRVDXPLMD-LSDHHAIUSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571252738 953332616 /nfs/dbraw/zinc/33/26/16/953332616.db2.gz VIZAPFRVDXPLMD-LSDHHAIUSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571252738 953332618 /nfs/dbraw/zinc/33/26/18/953332618.db2.gz VIZAPFRVDXPLMD-LSDHHAIUSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571252738 953332620 /nfs/dbraw/zinc/33/26/20/953332620.db2.gz VIZAPFRVDXPLMD-LSDHHAIUSA-N 0 3 384.488 0.949 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC001571254268 953337054 /nfs/dbraw/zinc/33/70/54/953337054.db2.gz FGOZREJRUMKEDE-XJKSGUPXSA-N 0 3 385.403 0.872 20 0 GCADHN C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571255166 953345858 /nfs/dbraw/zinc/34/58/58/953345858.db2.gz LWBAFKJKBYOOGQ-XHDPSFHLSA-N 0 3 385.407 0.234 20 0 GCADHN C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571255166 953345860 /nfs/dbraw/zinc/34/58/60/953345860.db2.gz LWBAFKJKBYOOGQ-XHDPSFHLSA-N 0 3 385.407 0.234 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CN1C(=O)c1cn(C)nn1 ZINC001571255222 953346674 /nfs/dbraw/zinc/34/66/74/953346674.db2.gz MVJJAZKDAIPWKF-JQWIXIFHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CN1C(=O)c1cn(C)nn1 ZINC001571255222 953346677 /nfs/dbraw/zinc/34/66/77/953346677.db2.gz MVJJAZKDAIPWKF-JQWIXIFHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cn[nH]n1 ZINC001571255718 953353363 /nfs/dbraw/zinc/35/33/63/953353363.db2.gz SNRBVSHCZQQTCV-ZYHUDNBSSA-N 0 3 385.407 0.907 20 0 GCADHN COC(=O)C1CC2(C1)CN(CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H]2C(=O)[O-] ZINC001574046309 962110189 /nfs/dbraw/zinc/11/01/89/962110189.db2.gz CPZUMBTZJJGOER-FXUPRZHBSA-N 0 3 395.500 0.561 20 0 GCADHN CN(CCC1CCN(C2CC[NH+](C)CC2)CC1)CCS(=O)(=O)CC(=O)[O-] ZINC001346402022 969764248 /nfs/dbraw/zinc/76/42/48/969764248.db2.gz PUPAMDYQBMAIGR-UHFFFAOYSA-N 0 3 389.562 0.614 20 0 GCADHN CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CCS(=O)(=O)CC(=O)[O-] ZINC001346402022 969764252 /nfs/dbraw/zinc/76/42/52/969764252.db2.gz PUPAMDYQBMAIGR-UHFFFAOYSA-N 0 3 389.562 0.614 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])CC2)CC1 ZINC001603760544 974207333 /nfs/dbraw/zinc/20/73/33/974207333.db2.gz YHFLLJYTYSCESD-OAHLLOKOSA-N 0 3 396.532 0.621 20 0 GCADHN C[NH+](C)CCOc1ccc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cc1 ZINC001119532553 982981490 /nfs/dbraw/zinc/98/14/90/982981490.db2.gz ZJLXDIDLDXYIAC-FQEVSTJZSA-N 0 3 377.485 0.988 20 0 GCADHN CN1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C[C@@H](C(=O)[O-])C1 ZINC001598214721 990872369 /nfs/dbraw/zinc/87/23/69/990872369.db2.gz PFPOJPIUMNWERK-KBPBESRZSA-N 0 3 386.493 0.306 20 0 GCADHN CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCC(=O)NCC(=O)[O-])C2)ccn1 ZINC001591555456 992748070 /nfs/dbraw/zinc/74/80/70/992748070.db2.gz GKOBHOCDBGQBFQ-QGZVFWFLSA-N 0 3 378.473 0.966 20 0 GCADHN CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(=O)NCC(=O)[O-])C2)ccn1 ZINC001591555456 992748078 /nfs/dbraw/zinc/74/80/78/992748078.db2.gz GKOBHOCDBGQBFQ-QGZVFWFLSA-N 0 3 378.473 0.966 20 0 GCADHN Cn1c2[n-]c(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)nc2c(=O)n(C)c1=O ZINC001655736789 1126255966 /nfs/dbraw/zinc/25/59/66/1126255966.db2.gz TZPHBSFIVYEJCO-GOSISDBHSA-N 0 3 375.404 0.183 20 0 GCADHN CCCNC(=O)C(C)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000044635703 530113963 /nfs/dbraw/zinc/11/39/63/530113963.db2.gz WCXMNCRBJMJSIK-LBPRGKRZSA-N 0 3 376.500 0.766 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000583934645 530116814 /nfs/dbraw/zinc/11/68/14/530116814.db2.gz PIULVUNSSBUYNN-ZYHUDNBSSA-N 0 3 375.878 1.000 20 0 GCADHN C[C@H]1NCCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)[C@@H]1C ZINC000648127941 530118433 /nfs/dbraw/zinc/11/84/33/530118433.db2.gz SAOUZYKMNIHGFZ-GHMZBOCLSA-N 0 3 390.303 0.936 20 0 GCADHN C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000571420700 530119898 /nfs/dbraw/zinc/11/98/98/530119898.db2.gz ZIYBADOJWKEUTB-SWLSCSKDSA-N 0 3 397.317 0.598 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1C ZINC000530481183 530120258 /nfs/dbraw/zinc/12/02/58/530120258.db2.gz NVDUHIOGKXTYMG-ZDUSSCGKSA-N 0 3 375.516 0.523 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000571569219 530126924 /nfs/dbraw/zinc/12/69/24/530126924.db2.gz XHWSRSPVYZDLJI-ZNMIVQPWSA-N 0 3 383.901 0.988 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000408470112 530127288 /nfs/dbraw/zinc/12/72/88/530127288.db2.gz VFVHIOMOQBWBOK-KGLIPLIRSA-N 0 3 375.539 0.335 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000262118748 530131935 /nfs/dbraw/zinc/13/19/35/530131935.db2.gz NBQDJUQZRUIERK-AWEZNQCLSA-N 0 3 399.289 0.395 20 0 GCADHN COCCNCCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000262075763 530131975 /nfs/dbraw/zinc/13/19/75/530131975.db2.gz DGHAJYBZXVIUSP-UHFFFAOYSA-N 0 3 393.556 0.451 20 0 GCADHN CN1CCC(CNS(=O)(=O)CC[C@H]2CCCO2)(N2CCOCC2)CC1 ZINC000668295854 530157149 /nfs/dbraw/zinc/15/71/49/530157149.db2.gz GHCMNRYEQWUCKT-MRXNPFEDSA-N 0 3 375.535 0.272 20 0 GCADHN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H](N)CCSC)c1 ZINC000262430544 530134737 /nfs/dbraw/zinc/13/47/37/530134737.db2.gz JFLIZXBEVFHZAR-LBPRGKRZSA-N 0 3 375.472 0.157 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000363341528 530138005 /nfs/dbraw/zinc/13/80/05/530138005.db2.gz MIIGSBRRBBZJKI-ZIAGYGMSSA-N 0 3 375.535 0.662 20 0 GCADHN C[C@H]([NH3+])[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000647878389 530142345 /nfs/dbraw/zinc/14/23/45/530142345.db2.gz BHEUNOLFPMPGES-CABZTGNLSA-N 0 3 396.296 0.846 20 0 GCADHN CN(C)C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000263927893 530149326 /nfs/dbraw/zinc/14/93/26/530149326.db2.gz SYLWOQOWZHUICA-CYBMUJFWSA-N 0 3 386.543 0.918 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N(C)CCN1CCCCC1)C(F)(F)F ZINC000650191826 530149561 /nfs/dbraw/zinc/14/95/61/530149561.db2.gz UQJREUVTRTWLCS-GFCCVEGCSA-N 0 3 388.456 0.936 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655346891 530188979 /nfs/dbraw/zinc/18/89/79/530188979.db2.gz LIPHOHRKHOCFRM-NWDGAFQWSA-N 0 3 385.262 0.845 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655346891 530188981 /nfs/dbraw/zinc/18/89/81/530188981.db2.gz LIPHOHRKHOCFRM-NWDGAFQWSA-N 0 3 385.262 0.845 20 0 GCADHN C[C@@H](NC(=O)c1cnn2cc(Br)cnc12)C(=O)NCCN(C)C ZINC000556902681 530189349 /nfs/dbraw/zinc/18/93/49/530189349.db2.gz WDBXAFIALJGMLE-SECBINFHSA-N 0 3 383.250 0.288 20 0 GCADHN C[C@H](NC(=O)c1cnn2cc(Br)cnc12)C(=O)NCCN(C)C ZINC000556902682 530189547 /nfs/dbraw/zinc/18/95/47/530189547.db2.gz WDBXAFIALJGMLE-VIFPVBQESA-N 0 3 383.250 0.288 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1 ZINC000265770577 530189913 /nfs/dbraw/zinc/18/99/13/530189913.db2.gz CKRADLVQFZVLSH-UKRRQHHQSA-N 0 3 375.466 0.208 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](CN3CCCC3)C2)c1 ZINC000265829085 530190923 /nfs/dbraw/zinc/19/09/23/530190923.db2.gz UBFGDJJLMXFEKN-CQSZACIVSA-N 0 3 387.527 0.701 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000053639137 530192098 /nfs/dbraw/zinc/19/20/98/530192098.db2.gz UJYHAPSSDYSEND-UHFFFAOYSA-N 0 3 394.229 0.043 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)N1CCC[C@H](C)C1 ZINC000046365142 530193996 /nfs/dbraw/zinc/19/39/96/530193996.db2.gz HYQMEVHOLDQHLY-GJZGRUSLSA-N 0 3 375.539 0.240 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2ccsc2Br)[C@@H](CN)C1 ZINC000557265227 530194438 /nfs/dbraw/zinc/19/44/38/530194438.db2.gz ZRIFSMLQPIHYGC-JTQLQIEISA-N 0 3 375.292 0.228 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000557553804 530197108 /nfs/dbraw/zinc/19/71/08/530197108.db2.gz FKCOYQGZWVQTDD-LBPRGKRZSA-N 0 3 387.527 0.758 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C[C@@H](C)S1(=O)=O ZINC000558032566 530204450 /nfs/dbraw/zinc/20/44/50/530204450.db2.gz UPANPWHPKGVEAU-FRRDWIJNSA-N 0 3 381.516 0.393 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(O)CCN(C)CC2)c1 ZINC000266780020 530204469 /nfs/dbraw/zinc/20/44/69/530204469.db2.gz SNNSDDMDGRZLRS-UHFFFAOYSA-N 0 3 389.905 0.777 20 0 GCADHN CN(C)[C@@]1(CNC(=O)CCNS(=O)(=O)c2cccs2)CCSC1 ZINC000267077520 530207732 /nfs/dbraw/zinc/20/77/32/530207732.db2.gz FUJUOWMRVZENIW-CQSZACIVSA-N 0 3 377.557 0.970 20 0 GCADHN CN1CCN(CCCCNC(=O)NCCn2cc(Br)cn2)CC1 ZINC000584189518 530205259 /nfs/dbraw/zinc/20/52/59/530205259.db2.gz GKDFYWGCQBPFFP-UHFFFAOYSA-N 0 3 387.326 0.972 20 0 GCADHN COCCN1CC[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000264462359 530158646 /nfs/dbraw/zinc/15/86/46/530158646.db2.gz JIVULYBCSHZCRO-ZDUSSCGKSA-N 0 3 389.905 0.845 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000264610421 530162861 /nfs/dbraw/zinc/16/28/61/530162861.db2.gz JMUKUIGFXGATPB-CQSZACIVSA-N 0 3 387.527 0.842 20 0 GCADHN C[N@@H+]1CC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000264669797 530163706 /nfs/dbraw/zinc/16/37/06/530163706.db2.gz LKMZOMPVAUDYRR-VIFPVBQESA-N 0 3 396.332 0.857 20 0 GCADHN C[N@H+]1CC[C@@H](CNC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000264669797 530163708 /nfs/dbraw/zinc/16/37/08/530163708.db2.gz LKMZOMPVAUDYRR-VIFPVBQESA-N 0 3 396.332 0.857 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584183788 530205682 /nfs/dbraw/zinc/20/56/82/530205682.db2.gz VOUMADBOZUESDM-QWHCGFSZSA-N 0 3 381.274 0.940 20 0 GCADHN CN(C)[C@]1(CNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CCSC1 ZINC000530895025 530166679 /nfs/dbraw/zinc/16/66/79/530166679.db2.gz QAXGZCJXIWHBHC-HOCLYGCPSA-N 0 3 392.591 0.927 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CCSC1 ZINC000530895023 530166820 /nfs/dbraw/zinc/16/68/20/530166820.db2.gz QAXGZCJXIWHBHC-GDBMZVCRSA-N 0 3 392.591 0.927 20 0 GCADHN CC(C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)S(C)(=O)=O ZINC000046762847 530169851 /nfs/dbraw/zinc/16/98/51/530169851.db2.gz RHMBKJUSLSQKOE-LLVKDONJSA-N 0 3 384.483 0.875 20 0 GCADHN CC(C)[C@@H](CNC(=O)CNS(=O)(=O)c1cccs1)N1CCN(C)CC1 ZINC000264910013 530171481 /nfs/dbraw/zinc/17/14/81/530171481.db2.gz NIQGHSQHSNHJPL-CQSZACIVSA-N 0 3 388.559 0.415 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000264985427 530173753 /nfs/dbraw/zinc/17/37/53/530173753.db2.gz AWIIUNJPAHTEOS-GFCCVEGCSA-N 0 3 375.516 0.642 20 0 GCADHN CCN1CCN(CCCCNC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000265037073 530174829 /nfs/dbraw/zinc/17/48/29/530174829.db2.gz LMJQFJCIQXSEQR-UHFFFAOYSA-N 0 3 388.559 0.560 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CC[C@@H](O)C2)c1 ZINC000265118986 530176546 /nfs/dbraw/zinc/17/65/46/530176546.db2.gz DXJJBEBUOLEJCS-LLVKDONJSA-N 0 3 375.878 0.986 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000265197209 530177470 /nfs/dbraw/zinc/17/74/70/530177470.db2.gz IQOXFNPIPCVZPM-AWEZNQCLSA-N 0 3 389.543 0.899 20 0 GCADHN COc1ccc(I)c(NC(=O)C(=O)NCCN(C)C)c1 ZINC000265362735 530180592 /nfs/dbraw/zinc/18/05/92/530180592.db2.gz FBOVHLJEVLFUJM-UHFFFAOYSA-N 0 3 391.209 0.916 20 0 GCADHN CCS[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000584099477 530184567 /nfs/dbraw/zinc/18/45/67/530184567.db2.gz IGVNCEFLZLFTBB-JHJVBQTASA-N 0 3 377.532 0.653 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000518086403 530224391 /nfs/dbraw/zinc/22/43/91/530224391.db2.gz YNWKHSXLFRVLAE-UHFFFAOYSA-N 0 3 389.543 0.944 20 0 GCADHN CS(=O)(=O)NCCNC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000518362223 530227643 /nfs/dbraw/zinc/22/76/43/530227643.db2.gz KXRGWFKKBASTFT-LLVKDONJSA-N 0 3 385.255 0.467 20 0 GCADHN C[C@H](NC(=O)CCn1cc(Br)ccc1=O)C(=O)NCCN(C)C ZINC000518398180 530228026 /nfs/dbraw/zinc/22/80/26/530228026.db2.gz WCSUGNUFFFGFIH-NSHDSACASA-N 0 3 387.278 0.183 20 0 GCADHN CC(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncc(Cl)s1 ZINC000663247912 530228493 /nfs/dbraw/zinc/22/84/93/530228493.db2.gz ZHXZTEZDBWVPAF-SFYZADRCSA-N 0 3 386.904 0.604 20 0 GCADHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268642603 530230709 /nfs/dbraw/zinc/23/07/09/530230709.db2.gz RTOIWYDUQLVWHU-GOEBONIOSA-N 0 3 389.543 0.567 20 0 GCADHN C[C@@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)CN1CCCC1 ZINC000268660467 530231108 /nfs/dbraw/zinc/23/11/08/530231108.db2.gz WUDGMKIPZJXLBJ-HNNXBMFYSA-N 0 3 389.543 0.616 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CCSC1 ZINC000268689995 530231605 /nfs/dbraw/zinc/23/16/05/530231605.db2.gz PMMGBAYXDZHDAF-CYBMUJFWSA-N 0 3 379.408 0.937 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000268771985 530232045 /nfs/dbraw/zinc/23/20/45/530232045.db2.gz FIWOLOYMHDQWMG-CJNGLKHVSA-N 0 3 387.527 0.700 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000268771983 530232075 /nfs/dbraw/zinc/23/20/75/530232075.db2.gz FIWOLOYMHDQWMG-BBRMVZONSA-N 0 3 387.527 0.700 20 0 GCADHN N[C@H](Cc1ccccc1)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000269067772 530234713 /nfs/dbraw/zinc/23/47/13/530234713.db2.gz QEUJNXYJLRDZPR-CQSZACIVSA-N 0 3 375.441 0.937 20 0 GCADHN CSCC[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000269066678 530235020 /nfs/dbraw/zinc/23/50/20/530235020.db2.gz XJBHHDOABOBMDL-HNNXBMFYSA-N 0 3 387.527 0.404 20 0 GCADHN COCCN1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000518605737 530235507 /nfs/dbraw/zinc/23/55/07/530235507.db2.gz VCKLSELJSIFNMO-NSHDSACASA-N 0 3 395.934 0.859 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)Nc2ccc(N3CCNCC3)cn2)c1 ZINC000269168286 530235905 /nfs/dbraw/zinc/23/59/05/530235905.db2.gz RSLNJGQYLFKGDJ-UHFFFAOYSA-N 0 3 381.483 0.713 20 0 GCADHN [NH3+][C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C[C@H]3CCCO3)c2)C1 ZINC000269163114 530236042 /nfs/dbraw/zinc/23/60/42/530236042.db2.gz NWLUMVQLXDOZEK-QWHCGFSZSA-N 0 3 387.889 0.971 20 0 GCADHN C[NH+](C)CC[C@H](N)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000653161673 530236320 /nfs/dbraw/zinc/23/63/20/530236320.db2.gz WVYDTCWQSZYUCZ-LBPRGKRZSA-N 0 3 380.873 0.153 20 0 GCADHN C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[C@H]1[NH3+] ZINC000269282373 530237097 /nfs/dbraw/zinc/23/70/97/530237097.db2.gz QZOPAKQXIZBLAD-DTWKUNHWSA-N 0 3 396.332 0.985 20 0 GCADHN O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)NC1CCN(C2CC2)CC1 ZINC000269843348 530251867 /nfs/dbraw/zinc/25/18/67/530251867.db2.gz WAQHVQZFQLUOQS-CQSZACIVSA-N 0 3 387.527 0.809 20 0 GCADHN CN(CCNC(=O)NCC1(O)CCN(C)CC1)S(=O)(=O)c1cccs1 ZINC000269524732 530242510 /nfs/dbraw/zinc/24/25/10/530242510.db2.gz ZIPUEEPGAFQVQK-UHFFFAOYSA-N 0 3 390.531 0.125 20 0 GCADHN O=C(NC[C@@H](O)CN1CCCCC1)c1nc2ncc(Br)cn2n1 ZINC000269563420 530243243 /nfs/dbraw/zinc/24/32/43/530243243.db2.gz GDJMMKISUJXXNF-LLVKDONJSA-N 0 3 383.250 0.463 20 0 GCADHN COCCN(C)CCNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000269613356 530243937 /nfs/dbraw/zinc/24/39/37/530243937.db2.gz CBCZYLFAKYGZCS-UHFFFAOYSA-N 0 3 394.291 0.405 20 0 GCADHN CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269665239 530244729 /nfs/dbraw/zinc/24/47/29/530244729.db2.gz YQQOTWTVMKCBBV-HNNXBMFYSA-N 0 3 389.543 0.936 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)Cc2ccc(S(N)(=O)=O)s2)C[C@H](C)O1 ZINC000531013844 530245814 /nfs/dbraw/zinc/24/58/14/530245814.db2.gz RLTOGGJBDRYZCC-BETUJISGSA-N 0 3 389.543 0.944 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)Cc2ccc(S(N)(=O)=O)s2)C[C@H](C)O1 ZINC000531013846 530245943 /nfs/dbraw/zinc/24/59/43/530245943.db2.gz RLTOGGJBDRYZCC-STQMWFEESA-N 0 3 389.543 0.944 20 0 GCADHN CO[C@@H](CC(C)C)CS(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566228696 530252472 /nfs/dbraw/zinc/25/24/72/530252472.db2.gz JPAOLGKJFHCYFN-QWHCGFSZSA-N 0 3 375.457 0.803 20 0 GCADHN [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C[N-]S(=O)(=O)c3cccs3)C2)C1 ZINC000653189508 530250033 /nfs/dbraw/zinc/25/00/33/530250033.db2.gz YNLHIPDYNCEFMO-MCIONIFRSA-N 0 3 387.527 0.771 20 0 GCADHN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000151873928 530250362 /nfs/dbraw/zinc/25/03/62/530250362.db2.gz PEZKMVDIIJMLQG-INIZCTEOSA-N 0 3 376.498 0.342 20 0 GCADHN Cn1cc(CNCCNC(=O)c2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000067216251 530208183 /nfs/dbraw/zinc/20/81/83/530208183.db2.gz LUTYHBIYCXOJLE-UHFFFAOYSA-N 0 3 395.257 0.366 20 0 GCADHN C[NH+](C)[C@]1(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCSC1 ZINC000267165747 530209407 /nfs/dbraw/zinc/20/94/07/530209407.db2.gz ZTSPULYCWPIKKH-ZDUSSCGKSA-N 0 3 391.291 0.265 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267193407 530210010 /nfs/dbraw/zinc/21/00/10/530210010.db2.gz CTUILCHELSUDNT-RISCZKNCSA-N 0 3 377.557 0.968 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000267218287 530210688 /nfs/dbraw/zinc/21/06/88/530210688.db2.gz HQDZUKIIVUPEBT-OAHLLOKOSA-N 0 3 390.531 0.107 20 0 GCADHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)S(=O)(=O)N2CCOC(C)(C)C2)C1 ZINC000625601993 530216445 /nfs/dbraw/zinc/21/64/45/530216445.db2.gz AYPGAQCFFGTFEK-OWCLPIDISA-N 0 3 375.535 0.916 20 0 GCADHN COC[C@H](C)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000271412013 530272182 /nfs/dbraw/zinc/27/21/82/530272182.db2.gz YPBXFRBFVYZJCT-LBPRGKRZSA-N 0 3 380.488 0.416 20 0 GCADHN CC[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC[C@@H]1[NH3+] ZINC000647269303 530272218 /nfs/dbraw/zinc/27/22/18/530272218.db2.gz QAJOLADNBGEKEL-GWCFXTLKSA-N 0 3 379.479 0.945 20 0 GCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000271479756 530272710 /nfs/dbraw/zinc/27/27/10/530272710.db2.gz IVMXKYPZZJQFHD-CHWSQXEVSA-N 0 3 375.516 0.527 20 0 GCADHN C[C@@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271486802 530272887 /nfs/dbraw/zinc/27/28/87/530272887.db2.gz JVDOFSGQCZJEHW-KGLIPLIRSA-N 0 3 389.543 0.869 20 0 GCADHN CNS(=O)(=O)c1ccc([C@@H](C)NC[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000271554901 530273145 /nfs/dbraw/zinc/27/31/45/530273145.db2.gz VSMZSGFXHGGNNW-TZMCWYRMSA-N 0 3 375.516 0.669 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2cc(F)ccc2Br)n1 ZINC000561129238 530273260 /nfs/dbraw/zinc/27/32/60/530273260.db2.gz IUYPCASGRCCPMT-UHFFFAOYSA-N 0 3 399.268 0.876 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cnc1Cl ZINC000123152880 530273722 /nfs/dbraw/zinc/27/37/22/530273722.db2.gz KTVJKECFOBIAAD-AWEZNQCLSA-N 0 3 386.905 0.971 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nc1Cl ZINC000124904628 530276890 /nfs/dbraw/zinc/27/68/90/530276890.db2.gz KCOZBJLNCRBSRU-LLVKDONJSA-N 0 3 375.882 0.001 20 0 GCADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000125573100 530277844 /nfs/dbraw/zinc/27/78/44/530277844.db2.gz XIUJKXAOSMVOAG-LLVKDONJSA-N 0 3 385.262 0.639 20 0 GCADHN C[C@@H]([NH3+])[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000272207702 530279549 /nfs/dbraw/zinc/27/95/49/530279549.db2.gz HGQGLWFLQKITKZ-BDAKNGLRSA-N 0 3 396.332 0.985 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561553555 530280526 /nfs/dbraw/zinc/28/05/26/530280526.db2.gz VHHFGMCKUMJENX-RYUDHWBXSA-N 0 3 388.456 0.982 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NCc2ccccc2S(N)(=O)=O)cc1 ZINC000561559015 530280578 /nfs/dbraw/zinc/28/05/78/530280578.db2.gz HTZXOMKIQHRQKW-UHFFFAOYSA-N 0 3 383.495 0.874 20 0 GCADHN CN(C)CCN(C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000272766464 530282779 /nfs/dbraw/zinc/28/27/79/530282779.db2.gz GTQWOTZCCBANCB-ZFWWWQNUSA-N 0 3 389.905 0.484 20 0 GCADHN CC(C)N(C)C[C@H](C)NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000569631210 530282912 /nfs/dbraw/zinc/28/29/12/530282912.db2.gz DJJFGAIVPVGWOJ-JTQLQIEISA-N 0 3 387.278 0.931 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NC[C@H]1CC[NH2+]C1 ZINC000273090792 530285727 /nfs/dbraw/zinc/28/57/27/530285727.db2.gz ZVZXXOCZRRRTNC-QMMMGPOBSA-N 0 3 382.305 0.515 20 0 GCADHN COCCO[C@@H]1COCC[C@H]1NC(=O)NCC1(SC)CCN(C)CC1 ZINC000569635243 530287395 /nfs/dbraw/zinc/28/73/95/530287395.db2.gz UJPPDQVPHZXZQA-HUUCEWRRSA-N 0 3 375.535 0.934 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)NCC1(SC)CCN(C)CC1 ZINC000569635244 530287522 /nfs/dbraw/zinc/28/75/22/530287522.db2.gz UJPPDQVPHZXZQA-LSDHHAIUSA-N 0 3 375.535 0.934 20 0 GCADHN CCCN(C(=O)NCCS(=O)(=O)N1CCSCC1)[C@H]1CCN(C)C1 ZINC000645268693 530287882 /nfs/dbraw/zinc/28/78/82/530287882.db2.gz CKWWUFDWSNVTLM-AWEZNQCLSA-N 0 3 378.564 0.491 20 0 GCADHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000564740303 530291657 /nfs/dbraw/zinc/29/16/57/530291657.db2.gz NEZDVKOJXYBRCN-ZYHUDNBSSA-N 0 3 385.237 0.771 20 0 GCADHN CO[C@@H](CC(C)C)CS(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566228697 530252554 /nfs/dbraw/zinc/25/25/54/530252554.db2.gz JPAOLGKJFHCYFN-STQMWFEESA-N 0 3 375.457 0.803 20 0 GCADHN CON(C)S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)CN(C)C)ccc1Cl ZINC000269868297 530252636 /nfs/dbraw/zinc/25/26/36/530252636.db2.gz FFCZWDDPEBAINQ-HNNXBMFYSA-N 0 3 393.893 0.564 20 0 GCADHN C[NH+](C)C[C@](C)(O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000269871804 530253007 /nfs/dbraw/zinc/25/30/07/530253007.db2.gz IEAXWNDNPWAKGU-CYBMUJFWSA-N 0 3 398.938 0.292 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)c1 ZINC000107515683 530253121 /nfs/dbraw/zinc/25/31/21/530253121.db2.gz ODEUKKYOKBXXTM-CQSZACIVSA-N 0 3 388.511 0.569 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000588931123 530253678 /nfs/dbraw/zinc/25/36/78/530253678.db2.gz YSOBJBXTLCCHAD-HNNXBMFYSA-N 0 3 375.535 0.665 20 0 GCADHN CC(C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1)S(C)(=O)=O ZINC000109901497 530256687 /nfs/dbraw/zinc/25/66/87/530256687.db2.gz VLHBRZFXHLMXKJ-NSHDSACASA-N 0 3 384.483 0.875 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccs2)C[C@@H]1N(C)C ZINC000270418083 530259769 /nfs/dbraw/zinc/25/97/69/530259769.db2.gz CJKDVWKTSFKKKH-GRYCIOLGSA-N 0 3 377.557 0.919 20 0 GCADHN CCCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000048722028 530259936 /nfs/dbraw/zinc/25/99/36/530259936.db2.gz BJPFFEYANRAZOB-GFCCVEGCSA-N 0 3 392.499 0.894 20 0 GCADHN CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000564967174 530260780 /nfs/dbraw/zinc/26/07/80/530260780.db2.gz TZQSCHGDSLQKHH-VIFPVBQESA-N 0 3 389.421 0.543 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000112922389 530261379 /nfs/dbraw/zinc/26/13/79/530261379.db2.gz IPMHPAYDUTZQOE-AWEZNQCLSA-N 0 3 388.559 0.416 20 0 GCADHN COc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)ccc1Br ZINC000566300464 530262071 /nfs/dbraw/zinc/26/20/71/530262071.db2.gz MDDYGYAKWOCIFD-JTQLQIEISA-N 0 3 378.292 0.721 20 0 GCADHN C[NH+](C)CCCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000114675061 530262962 /nfs/dbraw/zinc/26/29/62/530262962.db2.gz VPXLZLNCSVDRJD-UHFFFAOYSA-N 0 3 384.321 0.857 20 0 GCADHN CS[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)C[C@@H]1N(C)C ZINC000270790302 530264046 /nfs/dbraw/zinc/26/40/46/530264046.db2.gz UXAUDJSSOUCQKH-GJZGRUSLSA-N 0 3 389.518 0.998 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)NC[C@]2(O)CN3CCC2CC3)ccc1Cl ZINC000560507387 530266464 /nfs/dbraw/zinc/26/64/64/530266464.db2.gz SIXSKUWATLQTKZ-INIZCTEOSA-N 0 3 387.889 0.898 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000583355184 530266580 /nfs/dbraw/zinc/26/65/80/530266580.db2.gz HZJAQUVSZYXJPG-GJZGRUSLSA-N 0 3 375.539 0.431 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000566336764 530267265 /nfs/dbraw/zinc/26/72/65/530267265.db2.gz JJWHLUNNULXFQB-RRFJBIMHSA-N 0 3 381.564 0.593 20 0 GCADHN COCCN(C)CCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000588934817 530267271 /nfs/dbraw/zinc/26/72/71/530267271.db2.gz MKTWPGOBASBBCP-UHFFFAOYSA-N 0 3 379.429 0.328 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000271126636 530268404 /nfs/dbraw/zinc/26/84/04/530268404.db2.gz KXDNJKLRWKLVJR-BMIGLBTASA-N 0 3 392.283 0.949 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000271233663 530269750 /nfs/dbraw/zinc/26/97/50/530269750.db2.gz RIGWIWDDRVVGAD-CYBMUJFWSA-N 0 3 385.511 0.530 20 0 GCADHN CCN1CCN(CCNC(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1 ZINC000120468859 530269780 /nfs/dbraw/zinc/26/97/80/530269780.db2.gz KMXFBSDMUSEXNK-UHFFFAOYSA-N 0 3 388.921 0.615 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000274391875 530295778 /nfs/dbraw/zinc/29/57/78/530295778.db2.gz CHCJSFUYLGWTQB-UHFFFAOYSA-N 0 3 376.226 0.957 20 0 GCADHN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CNC1 ZINC000562829140 530296122 /nfs/dbraw/zinc/29/61/22/530296122.db2.gz ULUCRVRNJHMWHM-UHFFFAOYSA-N 0 3 387.267 0.546 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000562872931 530296821 /nfs/dbraw/zinc/29/68/21/530296821.db2.gz LWDSWHMPUZUHRJ-NEPJUHHUSA-N 0 3 388.456 0.982 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000274453743 530296913 /nfs/dbraw/zinc/29/69/13/530296913.db2.gz NFQJTPJHKVFONF-UHFFFAOYSA-N 0 3 388.262 0.827 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000274542216 530297930 /nfs/dbraw/zinc/29/79/30/530297930.db2.gz FMDSCGYEYYRHCD-UHFFFAOYSA-N 0 3 386.543 0.918 20 0 GCADHN [NH3+]C[C@@H]1CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000274741091 530299990 /nfs/dbraw/zinc/29/99/90/530299990.db2.gz FCNHOYUGCIPNNR-SNVBAGLBSA-N 0 3 396.296 0.848 20 0 GCADHN COCCCN1CCC(NC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000588971399 530300958 /nfs/dbraw/zinc/30/09/58/530300958.db2.gz UUWJKFZSXONJHI-UHFFFAOYSA-N 0 3 378.539 0.504 20 0 GCADHN COCCCN1CCC(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000588974820 530301025 /nfs/dbraw/zinc/30/10/25/530301025.db2.gz QHIHGFZIWCUMOY-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN CN(CCN1CCCCC1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000650856085 530303258 /nfs/dbraw/zinc/30/32/58/530303258.db2.gz QOLJZOMEQBTOCU-UHFFFAOYSA-N 0 3 378.564 0.492 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CCSC1 ZINC000332816993 530330516 /nfs/dbraw/zinc/33/05/16/530330516.db2.gz KJEFVGKBDURSTF-GDBMZVCRSA-N 0 3 392.591 0.737 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)CN2CCCC2)c1 ZINC000145868211 530303966 /nfs/dbraw/zinc/30/39/66/530303966.db2.gz GKFYSGYHQWGWNI-ZDUSSCGKSA-N 0 3 375.516 0.605 20 0 GCADHN CS(=O)(=O)NCCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061793024 530304196 /nfs/dbraw/zinc/30/41/96/530304196.db2.gz FKRSJAGDSDFVGI-UHFFFAOYSA-N 0 3 386.543 0.949 20 0 GCADHN CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H]([NH3+])C1 ZINC000569811640 530311682 /nfs/dbraw/zinc/31/16/82/530311682.db2.gz NDZFBVFRPQHFHJ-AAEUAGOBSA-N 0 3 375.491 0.785 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631115056 530312386 /nfs/dbraw/zinc/31/23/86/530312386.db2.gz NARYGNCGWLXVRR-UONOGXRCSA-N 0 3 378.878 0.898 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000275617776 530313657 /nfs/dbraw/zinc/31/36/57/530313657.db2.gz URHJTPWTVKHREN-ZDUSSCGKSA-N 0 3 387.527 0.700 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3)CCN2C1=O ZINC000569988995 530313821 /nfs/dbraw/zinc/31/38/21/530313821.db2.gz SVUMDBYNJGIOJV-NEPJUHHUSA-N 0 3 381.230 0.158 20 0 GCADHN COCCNCCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000152475597 530314556 /nfs/dbraw/zinc/31/45/56/530314556.db2.gz YTWPPLUMTCSXOT-UHFFFAOYSA-N 0 3 378.292 0.935 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1F ZINC000154884940 530319796 /nfs/dbraw/zinc/31/97/96/530319796.db2.gz PXJCZLHOLSFXRJ-NSHDSACASA-N 0 3 376.475 0.992 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)CCOc3ccccc3Br)CCN2C1=O ZINC000570463929 530320219 /nfs/dbraw/zinc/32/02/19/530320219.db2.gz IIKJHOIBOMPBES-AAEUAGOBSA-N 0 3 382.258 0.988 20 0 GCADHN O=C(NCc1n[nH]cc1Br)Nc1cnc(N2CCNCC2)nc1 ZINC000570499967 530320534 /nfs/dbraw/zinc/32/05/34/530320534.db2.gz XAVQKSKZBBOWTG-UHFFFAOYSA-N 0 3 381.238 0.694 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@H]1CCCOCC1 ZINC000567685670 530320595 /nfs/dbraw/zinc/32/05/95/530320595.db2.gz HZWKNRRVETUIFF-AWEZNQCLSA-N 0 3 390.527 0.869 20 0 GCADHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000280838313 530355112 /nfs/dbraw/zinc/35/51/12/530355112.db2.gz ZWKKMYUVNQZALL-ZDUSSCGKSA-N 0 3 375.516 0.980 20 0 GCADHN CO[C@@H](C)CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000644538264 530358581 /nfs/dbraw/zinc/35/85/81/530358581.db2.gz GAUBONRSPVAPRR-ZDUSSCGKSA-N 0 3 378.516 0.725 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCC1(C)COC1 ZINC000644562262 530358651 /nfs/dbraw/zinc/35/86/51/530358651.db2.gz GFDWPOJAESWYQY-UHFFFAOYSA-N 0 3 376.500 0.337 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000281572417 530360810 /nfs/dbraw/zinc/36/08/10/530360810.db2.gz MIFZWLVKNCSFRV-UHFFFAOYSA-N 0 3 388.921 0.697 20 0 GCADHN CN(C)CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCC1 ZINC000281640850 530361471 /nfs/dbraw/zinc/36/14/71/530361471.db2.gz VNUJXKTVUMCPBZ-UHFFFAOYSA-N 0 3 375.516 0.700 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177157029 530361743 /nfs/dbraw/zinc/36/17/43/530361743.db2.gz AJXOBPFFOGSPDD-ZDUSSCGKSA-N 0 3 388.559 0.557 20 0 GCADHN CN(CCCNC(=O)NCC1(N2CCSCC2)CCCC1)S(C)(=O)=O ZINC000041380223 530369397 /nfs/dbraw/zinc/36/93/97/530369397.db2.gz JSCAJDOQBDPLFB-UHFFFAOYSA-N 0 3 392.591 0.929 20 0 GCADHN C[NH+](C)Cc1ccc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000136024016 530364425 /nfs/dbraw/zinc/36/44/25/530364425.db2.gz PGYQGKFKZUGPNB-UHFFFAOYSA-N 0 3 395.257 0.677 20 0 GCADHN CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1 ZINC000281930352 530364509 /nfs/dbraw/zinc/36/45/09/530364509.db2.gz LMLOAMJXBBBYIA-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000282033375 530366091 /nfs/dbraw/zinc/36/60/91/530366091.db2.gz VLMVGLZNTDJKBH-ZIAGYGMSSA-N 0 3 387.527 0.700 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000282116771 530367281 /nfs/dbraw/zinc/36/72/81/530367281.db2.gz HGXUPHKVIYWDPK-ZDUSSCGKSA-N 0 3 375.516 0.557 20 0 GCADHN C[C@@H]1NCCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)[C@H]1C ZINC000277453294 530332086 /nfs/dbraw/zinc/33/20/86/530332086.db2.gz GTPAUROMKHRXQW-BQBZGAKWSA-N 0 3 382.305 0.980 20 0 GCADHN CN(C)CCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000120313180 530332639 /nfs/dbraw/zinc/33/26/39/530332639.db2.gz BNPQJTAICRDERV-UHFFFAOYSA-N 0 3 378.292 0.795 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)CNS(=O)(=O)c2cccs2)CCCO1 ZINC000277584395 530333604 /nfs/dbraw/zinc/33/36/04/530333604.db2.gz OTNRYMBJPHDJDE-CYBMUJFWSA-N 0 3 375.516 0.644 20 0 GCADHN CCN(CCCNC(=O)NCC1(SC)CCN(C)CC1)S(C)(=O)=O ZINC000580747274 530334852 /nfs/dbraw/zinc/33/48/52/530334852.db2.gz MRXHRLIBBOCVTB-UHFFFAOYSA-N 0 3 380.580 0.785 20 0 GCADHN O=C(CN1CCNCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000637876161 530336399 /nfs/dbraw/zinc/33/63/99/530336399.db2.gz IOVPNJWGVSVUNJ-UHFFFAOYSA-N 0 3 386.905 0.078 20 0 GCADHN CN(C)Cc1ccccc1CNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000278136597 530337662 /nfs/dbraw/zinc/33/76/62/530337662.db2.gz ABJFSMVKHRPQEJ-UHFFFAOYSA-N 0 3 377.532 0.449 20 0 GCADHN CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)[C@@H](CN)C1 ZINC000580190122 530337875 /nfs/dbraw/zinc/33/78/75/530337875.db2.gz UCSZAFFMSZEMSS-OLZOCXBDSA-N 0 3 395.301 0.903 20 0 GCADHN O=C(CN1CCNCC1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000637895149 530341586 /nfs/dbraw/zinc/34/15/86/530341586.db2.gz CUCWECURLXPXPM-UHFFFAOYSA-N 0 3 376.770 0.923 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)CN1CCN(C)CC1 ZINC000278626789 530342304 /nfs/dbraw/zinc/34/23/04/530342304.db2.gz SYQUNBRJRGSKBD-GFCCVEGCSA-N 0 3 398.305 0.782 20 0 GCADHN CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000637927441 530345964 /nfs/dbraw/zinc/34/59/64/530345964.db2.gz OQEGGDLLOBOYDQ-CZUORRHYSA-N 0 3 387.527 0.784 20 0 GCADHN CN1C[C@@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)C[C@@H]2C1 ZINC000279172904 530346107 /nfs/dbraw/zinc/34/61/07/530346107.db2.gz HMSFSDHWNRFATQ-BETUJISGSA-N 0 3 385.511 0.403 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000562996537 530346980 /nfs/dbraw/zinc/34/69/80/530346980.db2.gz LLSDWCOUIPPCRJ-YDHLFZDLSA-N 0 3 391.559 0.395 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000580234946 530348324 /nfs/dbraw/zinc/34/83/24/530348324.db2.gz LXHCRDJWBTVZJI-UHFFFAOYSA-N 0 3 389.543 0.814 20 0 GCADHN CC(C)N(CCCNC(=O)CN(CCO)[C@H]1CC[C@@H](C)C1)S(C)(=O)=O ZINC000580261081 530349649 /nfs/dbraw/zinc/34/96/49/530349649.db2.gz RHCJWYSCVMUFGO-CVEARBPZSA-N 0 3 377.551 0.646 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)s1 ZINC000280148841 530350505 /nfs/dbraw/zinc/35/05/05/530350505.db2.gz UGTXAVJZKBVRRL-GFCCVEGCSA-N 0 3 387.527 0.568 20 0 GCADHN CCN1CCCN(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000643077581 530351820 /nfs/dbraw/zinc/35/18/20/530351820.db2.gz YCMIFWVLJPLOJW-HNNXBMFYSA-N 0 3 375.539 0.385 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000280752147 530354478 /nfs/dbraw/zinc/35/44/78/530354478.db2.gz CTVGWICCTTXSGB-ZIAGYGMSSA-N 0 3 399.289 0.995 20 0 GCADHN C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000282493942 530372210 /nfs/dbraw/zinc/37/22/10/530372210.db2.gz JWNSTXZDCUHTQT-CYBMUJFWSA-N 0 3 375.516 0.700 20 0 GCADHN C[C@@H](N)[C@@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000669405863 530374573 /nfs/dbraw/zinc/37/45/73/530374573.db2.gz ZOUOQXHSEKHTIY-RISCZKNCSA-N 0 3 375.878 0.871 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000184065524 530375307 /nfs/dbraw/zinc/37/53/07/530375307.db2.gz BYWPLFDIPOZYQU-KBPBESRZSA-N 0 3 388.559 0.557 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000282922062 530375722 /nfs/dbraw/zinc/37/57/22/530375722.db2.gz GJVRTJGBJCUJEV-SECBINFHSA-N 0 3 383.348 0.578 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccccc1Br ZINC000282916309 530375895 /nfs/dbraw/zinc/37/58/95/530375895.db2.gz GAVJHNRBHADZSW-MRVPVSSYSA-N 0 3 376.232 0.795 20 0 GCADHN COc1cc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)c(OC)cc1Cl ZINC000282916230 530375901 /nfs/dbraw/zinc/37/59/01/530375901.db2.gz FZPOXDKUSVSEAA-QMMMGPOBSA-N 0 3 391.833 0.703 20 0 GCADHN CCOC(=O)c1ccsc1NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000283056112 530377089 /nfs/dbraw/zinc/37/70/89/530377089.db2.gz OKJUIDKLOLUANH-MRVPVSSYSA-N 0 3 375.428 0.271 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000185603463 530377395 /nfs/dbraw/zinc/37/73/95/530377395.db2.gz WAWKSCBAVNWAFV-UHFFFAOYSA-N 0 3 384.274 0.769 20 0 GCADHN C[C@H]1CC[NH2+]C[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000186859806 530379501 /nfs/dbraw/zinc/37/95/01/530379501.db2.gz NFHBAAPPSMQKCJ-DTWKUNHWSA-N 0 3 396.332 0.903 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000186751061 530379821 /nfs/dbraw/zinc/37/98/21/530379821.db2.gz YUUIJHBRJGAGGQ-UHFFFAOYSA-N 0 3 397.277 0.445 20 0 GCADHN C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000186859788 530379826 /nfs/dbraw/zinc/37/98/26/530379826.db2.gz NFHBAAPPSMQKCJ-RKDXNWHRSA-N 0 3 396.332 0.903 20 0 GCADHN Cc1csc(NC(=O)CS(=O)(=O)C(C)C(=O)NC[C@@H]2CCCO2)n1 ZINC000283730083 530381327 /nfs/dbraw/zinc/38/13/27/530381327.db2.gz CFFLTDPCESTKPH-QWRGUYRKSA-N 0 3 375.472 0.489 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c(OC)c1 ZINC000497357254 530381920 /nfs/dbraw/zinc/38/19/20/530381920.db2.gz GJZQEDSMLWWZHU-LBPRGKRZSA-N 0 3 379.504 0.718 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000497354428 530382110 /nfs/dbraw/zinc/38/21/10/530382110.db2.gz GYRKDSNEDBEBCP-WDEREUQCSA-N 0 3 375.878 0.871 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3cccs3)CC2)CCSC1 ZINC000283955643 530382480 /nfs/dbraw/zinc/38/24/80/530382480.db2.gz GHICHLLADWXOEW-KRWDZBQOSA-N 0 3 382.555 0.950 20 0 GCADHN CNS(=O)(=O)CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000188289530 530382943 /nfs/dbraw/zinc/38/29/43/530382943.db2.gz MUICNCLKJJRVDF-UHFFFAOYSA-N 0 3 378.445 0.587 20 0 GCADHN CNS(=O)(=O)CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000188334562 530383146 /nfs/dbraw/zinc/38/31/46/530383146.db2.gz XMMUIXYLEHFNJG-UHFFFAOYSA-N 0 3 376.910 0.962 20 0 GCADHN CS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000284040313 530383293 /nfs/dbraw/zinc/38/32/93/530383293.db2.gz MCEPVLQFRJJBTR-ZDUSSCGKSA-N 0 3 387.527 0.237 20 0 GCADHN CN1CCC(Oc2ccc(CNS(=O)(=O)CCS(C)(=O)=O)cc2)CC1 ZINC000284785473 530387200 /nfs/dbraw/zinc/38/72/00/530387200.db2.gz XDZRHBCOKJKZER-UHFFFAOYSA-N 0 3 390.527 0.624 20 0 GCADHN CS(=O)(=O)NCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285003382 530389007 /nfs/dbraw/zinc/38/90/07/530389007.db2.gz AZOSWSOTYHUDOM-CQSZACIVSA-N 0 3 375.441 0.809 20 0 GCADHN COc1ccc(CNC(=O)C(C)S(=O)(=O)c2nnc(N)s2)cc1OC ZINC000285099490 530389576 /nfs/dbraw/zinc/38/95/76/530389576.db2.gz LVEDGLFYDKFGAS-MRVPVSSYSA-N 0 3 386.455 0.616 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000192175586 530390291 /nfs/dbraw/zinc/39/02/91/530390291.db2.gz RLDVRTHHYYHWCC-LLVKDONJSA-N 0 3 384.278 0.561 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1 ZINC000192924128 530391944 /nfs/dbraw/zinc/39/19/44/530391944.db2.gz JOYLSPQSWHDKCW-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN CCN(CC)CCO[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CCOCC2)C1 ZINC000644799177 530392727 /nfs/dbraw/zinc/39/27/27/530392727.db2.gz CXCIBTNNFVRFRR-HNNXBMFYSA-N 0 3 376.519 0.540 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCC1)c1cncc(I)c1 ZINC000590372199 530369837 /nfs/dbraw/zinc/36/98/37/530369837.db2.gz YANAAEWXQYODEK-GFCCVEGCSA-N 0 3 375.210 0.873 20 0 GCADHN Cc1nc(Br)ccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000181383820 530370791 /nfs/dbraw/zinc/37/07/91/530370791.db2.gz IUTCQNWZOLOEDH-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000285797716 530397184 /nfs/dbraw/zinc/39/71/84/530397184.db2.gz VSHMIXKZDUZXER-GXTWGEPZSA-N 0 3 387.527 0.941 20 0 GCADHN CSCC[C@@H](N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000498044923 530398023 /nfs/dbraw/zinc/39/80/23/530398023.db2.gz KRMQPCSODQXZCN-LLVKDONJSA-N 0 3 391.481 0.882 20 0 GCADHN CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c(F)cc1C ZINC000286006641 530398264 /nfs/dbraw/zinc/39/82/64/530398264.db2.gz OAVBWMZHGJQGGD-INIZCTEOSA-N 0 3 376.450 0.902 20 0 GCADHN COC(=O)CCCCCS(=O)(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000364568323 530398358 /nfs/dbraw/zinc/39/83/58/530398358.db2.gz VHINKFVXUUXTKH-INIZCTEOSA-N 0 3 375.535 0.761 20 0 GCADHN C[C@@H](CNC(=O)NCCn1cc(Br)cn1)CN1CCN(C)CC1 ZINC000286664116 530403141 /nfs/dbraw/zinc/40/31/41/530403141.db2.gz LQSUYHMEXQQGIQ-ZDUSSCGKSA-N 0 3 387.326 0.828 20 0 GCADHN C[C@@H](C[S@](C)=O)NC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000286930569 530404779 /nfs/dbraw/zinc/40/47/79/530404779.db2.gz DHGISKSYBTWJJE-CANCMXDXSA-N 0 3 385.555 0.960 20 0 GCADHN CN(C)CCN1CCC(NC(=O)NCCn2cc(Br)cn2)CC1 ZINC000286984433 530405261 /nfs/dbraw/zinc/40/52/61/530405261.db2.gz FXWNXELBRAZINK-UHFFFAOYSA-N 0 3 387.326 0.971 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)N(C)CCN)c(Br)cc1F ZINC000591309658 530407142 /nfs/dbraw/zinc/40/71/42/530407142.db2.gz FDELPQLISNMUJX-UHFFFAOYSA-N 0 3 376.182 0.730 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000287392402 530408031 /nfs/dbraw/zinc/40/80/31/530408031.db2.gz CXCBKUHUIBGAHF-UHFFFAOYSA-N 0 3 376.454 0.512 20 0 GCADHN CS(=O)(=O)CC[C@H](N)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000497903452 530394657 /nfs/dbraw/zinc/39/46/57/530394657.db2.gz MRHTUFPWSZRLCQ-INIZCTEOSA-N 0 3 385.555 0.978 20 0 GCADHN CNC(=O)CN1CCC(N[C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000591688799 530410224 /nfs/dbraw/zinc/41/02/24/530410224.db2.gz SYDFEBXSDVHNAU-HNNXBMFYSA-N 0 3 383.290 0.776 20 0 GCADHN Cc1nc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000287704112 530411344 /nfs/dbraw/zinc/41/13/44/530411344.db2.gz FVFDMVMVLNZSEC-ZDUSSCGKSA-N 0 3 386.905 0.971 20 0 GCADHN CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000638325571 530416665 /nfs/dbraw/zinc/41/66/65/530416665.db2.gz IEEDHPXYDIIWQK-XHDPSFHLSA-N 0 3 393.868 0.641 20 0 GCADHN COC(=O)[C@@H]1CNCCCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000592491429 530417109 /nfs/dbraw/zinc/41/71/09/530417109.db2.gz JWJQXCGXOOTLIV-ZDUSSCGKSA-N 0 3 395.257 0.794 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000592758389 530418241 /nfs/dbraw/zinc/41/82/41/530418241.db2.gz ZXTNNCBZSXKKQU-CQSZACIVSA-N 0 3 398.305 0.976 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000288646167 530419881 /nfs/dbraw/zinc/41/98/81/530419881.db2.gz XUCDSDIPBRGSLE-OLZOCXBDSA-N 0 3 375.516 0.378 20 0 GCADHN CC(=O)N1CCN(CCNCc2cnn3cc(Br)cnc23)CC1 ZINC000638362108 530423614 /nfs/dbraw/zinc/42/36/14/530423614.db2.gz CBVIHFNHTJZKJN-UHFFFAOYSA-N 0 3 381.278 0.746 20 0 GCADHN CSC1(CNC(=O)CC2CCN(S(C)(=O)=O)CC2)CCN(C)CC1 ZINC000594031214 530426575 /nfs/dbraw/zinc/42/65/75/530426575.db2.gz YPSYEXPVZYMNCH-UHFFFAOYSA-N 0 3 377.576 0.992 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000594105019 530427005 /nfs/dbraw/zinc/42/70/05/530427005.db2.gz UTBVYMCFPWKFLS-UHFFFAOYSA-N 0 3 378.539 0.457 20 0 GCADHN C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1)N(C)C ZINC000289454884 530424951 /nfs/dbraw/zinc/42/49/51/530424951.db2.gz FXYKYTYESDRUEI-SNVBAGLBSA-N 0 3 378.292 0.794 20 0 GCADHN CO[C@@H](CN)C(=O)N1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000289569073 530425914 /nfs/dbraw/zinc/42/59/14/530425914.db2.gz LRCSQSZIWFEBLG-NSHDSACASA-N 0 3 385.471 0.220 20 0 GCADHN CC(C)N(C)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000290268903 530431643 /nfs/dbraw/zinc/43/16/43/530431643.db2.gz DQKDLGNGGBEKIG-SNVBAGLBSA-N 0 3 387.278 0.931 20 0 GCADHN CO[C@H](CN)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000289907365 530428763 /nfs/dbraw/zinc/42/87/63/530428763.db2.gz JNKQILDPZAUORZ-SNVBAGLBSA-N 0 3 381.907 0.598 20 0 GCADHN CO[C@@H](CN)C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000289931931 530429070 /nfs/dbraw/zinc/42/90/70/530429070.db2.gz KZZGEDVXLLFXFY-PWSUYJOCSA-N 0 3 394.209 0.121 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000290560356 530434459 /nfs/dbraw/zinc/43/44/59/530434459.db2.gz YNCVDVOWJSPRIF-ZDUSSCGKSA-N 0 3 376.479 0.043 20 0 GCADHN C[C@H](NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(Br)cc1 ZINC000594874637 530443192 /nfs/dbraw/zinc/44/31/92/530443192.db2.gz LIWJEHQZBSTTIH-CQDKDKBSSA-N 0 3 395.301 0.870 20 0 GCADHN CN1CC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)C2)C1 ZINC000291840004 530443459 /nfs/dbraw/zinc/44/34/59/530443459.db2.gz GVJGUOAICDIOPD-MRXNPFEDSA-N 0 3 387.889 0.920 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(Cl)s1 ZINC000595275866 530445691 /nfs/dbraw/zinc/44/56/91/530445691.db2.gz CULZQKYCWFPIKZ-DCAQKATOSA-N 0 3 384.889 0.739 20 0 GCADHN CN1CC[C@]2(CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 ZINC000292079387 530444555 /nfs/dbraw/zinc/44/45/55/530444555.db2.gz QTYMQVRTEYKNDK-HNNXBMFYSA-N 0 3 376.475 0.946 20 0 GCADHN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595242315 530445101 /nfs/dbraw/zinc/44/51/01/530445101.db2.gz SJPIGMMKILAMHZ-VXGBXAGGSA-N 0 3 395.257 0.466 20 0 GCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)COCC(F)(F)F ZINC000292690741 530448672 /nfs/dbraw/zinc/44/86/72/530448672.db2.gz KHRDNYGJFMYZHU-LLVKDONJSA-N 0 3 386.392 0.584 20 0 GCADHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000595903504 530450034 /nfs/dbraw/zinc/45/00/34/530450034.db2.gz WWUDICJZTKIEOO-PWSUYJOCSA-N 0 3 389.861 0.857 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C)c(C(=O)OC)s1 ZINC000292840933 530450232 /nfs/dbraw/zinc/45/02/32/530450232.db2.gz ZVCMVNLOIHQVJP-VIFPVBQESA-N 0 3 378.472 0.797 20 0 GCADHN C[NH2+]C[C@H](C)NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000595982832 530452016 /nfs/dbraw/zinc/45/20/16/530452016.db2.gz HHRFWYPCHRNBGP-WCQYABFASA-N 0 3 377.507 0.950 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000531367805 530452546 /nfs/dbraw/zinc/45/25/46/530452546.db2.gz QMRLZQUDMMZCHY-HIFRSBDPSA-N 0 3 379.548 0.533 20 0 GCADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000531367804 530452562 /nfs/dbraw/zinc/45/25/62/530452562.db2.gz QMRLZQUDMMZCHY-DZGCQCFKSA-N 0 3 379.548 0.533 20 0 GCADHN Cc1ncsc1CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000296315367 530469524 /nfs/dbraw/zinc/46/95/24/530469524.db2.gz OMEINGWRCGLICH-AWEZNQCLSA-N 0 3 386.543 0.562 20 0 GCADHN COc1cc(CNCCN2CCN(S(C)(=O)=O)CC2)c(Cl)cc1O ZINC000638561219 530460591 /nfs/dbraw/zinc/46/05/91/530460591.db2.gz QWAYORMFKQONTD-UHFFFAOYSA-N 0 3 377.894 0.721 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)N[C@H]1CCCN(CCCO)C1 ZINC000295330462 530462541 /nfs/dbraw/zinc/46/25/41/530462541.db2.gz CZRIMVXABVWCEC-NSHDSACASA-N 0 3 388.262 0.735 20 0 GCADHN COC(=O)c1c(C)c(C)sc1NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000295469377 530463749 /nfs/dbraw/zinc/46/37/49/530463749.db2.gz XWGHLOBPQLIRAH-MRVPVSSYSA-N 0 3 389.455 0.497 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CCc2scnc2C)CC1 ZINC000295656567 530465197 /nfs/dbraw/zinc/46/51/97/530465197.db2.gz HWZQZTWNADXEII-UHFFFAOYSA-N 0 3 388.559 0.810 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1 ZINC000298523925 530481429 /nfs/dbraw/zinc/48/14/29/530481429.db2.gz XAHMKHDEOCBNKE-CYBMUJFWSA-N 0 3 387.527 0.700 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000298499159 530481532 /nfs/dbraw/zinc/48/15/32/530481532.db2.gz MBTAOBURLCSRLZ-UHFFFAOYSA-N 0 3 375.516 0.006 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)S(C)(=O)=O ZINC000298813305 530483828 /nfs/dbraw/zinc/48/38/28/530483828.db2.gz POPCIPOJVOZYDR-NSHDSACASA-N 0 3 394.902 0.606 20 0 GCADHN CCN[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000602497824 530484131 /nfs/dbraw/zinc/48/41/31/530484131.db2.gz ARTUXAPCKIYXEB-NSHDSACASA-N 0 3 389.499 0.366 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3cc(Br)cc4nc[nH]c43)CCN2C1=O ZINC000602522171 530484137 /nfs/dbraw/zinc/48/41/37/530484137.db2.gz DGNJOOAWUBTMHP-ONGXEEELSA-N 0 3 378.230 0.709 20 0 GCADHN O=C(CNC1CC1)N1CCN(c2ncc(I)cn2)CC1 ZINC000602585081 530484432 /nfs/dbraw/zinc/48/44/32/530484432.db2.gz CIHGDSFHXASATK-UHFFFAOYSA-N 0 3 387.225 0.482 20 0 GCADHN CS[C@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1N1CCCC1 ZINC000599761929 530474880 /nfs/dbraw/zinc/47/48/80/530474880.db2.gz LKTTYFNCJXSNDY-ZNMIVQPWSA-N 0 3 375.560 0.696 20 0 GCADHN COc1ncc(Br)cc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000599935947 530476021 /nfs/dbraw/zinc/47/60/21/530476021.db2.gz UAKYRAAKFJUFAF-NEPJUHHUSA-N 0 3 398.261 0.306 20 0 GCADHN COCCN(C)C[C@H](O)CN(C)CC(=O)Nc1ccc(Br)cn1 ZINC000647962759 530498945 /nfs/dbraw/zinc/49/89/45/530498945.db2.gz RUESFLZQWOCVFF-ZDUSSCGKSA-N 0 3 389.294 0.654 20 0 GCADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000366773736 530501181 /nfs/dbraw/zinc/50/11/81/530501181.db2.gz IESNDYPRFRTNPC-GJZGRUSLSA-N 0 3 376.523 0.211 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCN1C ZINC000408227663 530487433 /nfs/dbraw/zinc/48/74/33/530487433.db2.gz TZIYNAKBURLXBT-CHWSQXEVSA-N 0 3 386.543 0.965 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)c1ccc(I)cn1 ZINC000603052586 530487489 /nfs/dbraw/zinc/48/74/89/530487489.db2.gz JDEMQOWTMNKINK-NSHDSACASA-N 0 3 375.210 0.873 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)NCCCN1CCCN(C)CC1 ZINC000603403343 530489554 /nfs/dbraw/zinc/48/95/54/530489554.db2.gz OTTHMWSGRHPPHW-CVEARBPZSA-N 0 3 375.535 0.665 20 0 GCADHN 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377.507 0.084 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000153583582 530537038 /nfs/dbraw/zinc/53/70/38/530537038.db2.gz MBWDVSMWQKDAAU-GFCCVEGCSA-N 0 3 398.305 0.925 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000443667240 530537182 /nfs/dbraw/zinc/53/71/82/530537182.db2.gz OTUPEJLWXJUCMN-VGWMRTNUSA-N 0 3 377.551 0.956 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3Br)CCN2C1=O ZINC000567180728 530538825 /nfs/dbraw/zinc/53/88/25/530538825.db2.gz RWHSKAQOWNRNEP-GXSJLCMTSA-N 0 3 381.230 0.158 20 0 GCADHN N[C@@H]1C[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)CCN2C1=O ZINC000567249944 530540008 /nfs/dbraw/zinc/54/00/08/530540008.db2.gz ZPOWUMSZVMQIJV-LDYMZIIASA-N 0 3 378.376 0.101 20 0 GCADHN CCN(CC)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000443992946 530540248 /nfs/dbraw/zinc/54/02/48/530540248.db2.gz YTYRUKJCSRZKET-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CCCCN(C)CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000444080617 530541549 /nfs/dbraw/zinc/54/15/49/530541549.db2.gz ZGKUIEQQZWHRMF-UHFFFAOYSA-N 0 3 377.532 0.947 20 0 GCADHN CC(C)N(C)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444175726 530543028 /nfs/dbraw/zinc/54/30/28/530543028.db2.gz LJMRNUSFVNTNFK-UHFFFAOYSA-N 0 3 375.516 0.746 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000156008803 530545376 /nfs/dbraw/zinc/54/53/76/530545376.db2.gz ZSPPZRDJZLQTGV-PMPSAXMXSA-N 0 3 376.567 0.340 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000451503815 530582858 /nfs/dbraw/zinc/58/28/58/530582858.db2.gz RNYKJXHLQJKUSE-DTWKUNHWSA-N 0 3 381.394 0.319 20 0 GCADHN CSc1ccc([C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)N(C)C)cc1 ZINC000568069837 530552877 /nfs/dbraw/zinc/55/28/77/530552877.db2.gz QTIXWRSYMHCBBA-HNNXBMFYSA-N 0 3 388.559 0.866 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCCCS(C)(=O)=O ZINC000425466315 530554135 /nfs/dbraw/zinc/55/41/35/530554135.db2.gz OTWWIKFMZKRPKO-CQSZACIVSA-N 0 3 376.523 0.053 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1Cl ZINC000568220202 530554953 /nfs/dbraw/zinc/55/49/53/530554953.db2.gz KZGVRCYZGMNTDS-LBPRGKRZSA-N 0 3 375.878 0.564 20 0 GCADHN COCCN(C(=O)CN[C@@H]1[C@H](C)[C@H](OC)C1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000451499384 530583041 /nfs/dbraw/zinc/58/30/41/530583041.db2.gz FGOZEWNFRLQWNS-XNISGKROSA-N 0 3 376.519 0.298 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CCN2C1=O ZINC000568268253 530557793 /nfs/dbraw/zinc/55/77/93/530557793.db2.gz UDYNVYZEFZBYFC-JOYOIKCWSA-N 0 3 383.202 0.741 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(Br)cn1 ZINC000568287816 530557809 /nfs/dbraw/zinc/55/78/09/530557809.db2.gz LCNZIDBIJCUJJN-MVWJERBFSA-N 0 3 382.262 0.859 20 0 GCADHN NCc1cn([C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)nn1 ZINC000568375280 530558714 /nfs/dbraw/zinc/55/87/14/530558714.db2.gz CLEFGWOPHXBIPR-NSHDSACASA-N 0 3 379.471 0.767 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000447200925 530558851 /nfs/dbraw/zinc/55/88/51/530558851.db2.gz RGPLWLNCKWHAIN-OKILXGFUSA-N 0 3 383.580 0.602 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000518825103 530558886 /nfs/dbraw/zinc/55/88/86/530558886.db2.gz WKXDJNFSZAFLCS-UHFFFAOYSA-N 0 3 391.559 0.345 20 0 GCADHN COCCNc1nc(N[C@@H]2CCS[C@@H]2C)nc(N[C@@H]2CCS[C@H]2C)n1 ZINC000645401112 530559611 /nfs/dbraw/zinc/55/96/11/530559611.db2.gz BGMCMMSGVVHCCC-YVECIDJPSA-N 0 3 384.575 0.807 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1F ZINC000447242147 530559656 /nfs/dbraw/zinc/55/96/56/530559656.db2.gz FIHSRWVMTLEYRL-GXFFZTMASA-N 0 3 379.479 0.945 20 0 GCADHN C[C@H](CCCO)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000568511410 530560645 /nfs/dbraw/zinc/56/06/45/530560645.db2.gz MDMQLGZDEPHIFH-CQSZACIVSA-N 0 3 392.543 0.709 20 0 GCADHN COC1CCN(C2(CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)CCCC2)CC1 ZINC000447773770 530563044 /nfs/dbraw/zinc/56/30/44/530563044.db2.gz WCDLYSGRUSDAHQ-AWEZNQCLSA-N 0 3 375.535 0.806 20 0 GCADHN COc1ccc(Br)cc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569021934 530565965 /nfs/dbraw/zinc/56/59/65/530565965.db2.gz NWHUOGYHVARXQE-STQMWFEESA-N 0 3 397.273 0.911 20 0 GCADHN CSC1(CNC(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)CCN(C)CC1 ZINC000569165226 530567848 /nfs/dbraw/zinc/56/78/48/530567848.db2.gz LBLUEGHARKMHDK-CQSZACIVSA-N 0 3 392.591 0.926 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000569221615 530568271 /nfs/dbraw/zinc/56/82/71/530568271.db2.gz GBBKBYHBTOBYJE-WDEREUQCSA-N 0 3 379.479 0.993 20 0 GCADHN NS(=O)(=O)c1cc(Br)cnc1NC[C@@H]1CCCN1CCCO ZINC000450599844 530569397 /nfs/dbraw/zinc/56/93/97/530569397.db2.gz UFZIOPORTGSOJZ-NSHDSACASA-N 0 3 393.307 0.750 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639315197 530583686 /nfs/dbraw/zinc/58/36/86/530583686.db2.gz RCRHWJNJOGNIDJ-UHFFFAOYSA-N 0 3 376.910 0.439 20 0 GCADHN O=C(NCCn1cc(Br)cn1)Nc1cnc(N2CCNCC2)nc1 ZINC000572942846 530572980 /nfs/dbraw/zinc/57/29/80/530572980.db2.gz QLBGOHDHOCPIHY-UHFFFAOYSA-N 0 3 395.265 0.667 20 0 GCADHN CC1CC[NH+](C[C@H](O)CNC(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000572984050 530573711 /nfs/dbraw/zinc/57/37/11/530573711.db2.gz MFNZQZISMGWFSL-CYBMUJFWSA-N 0 3 375.516 0.235 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000451169965 530574058 /nfs/dbraw/zinc/57/40/58/530574058.db2.gz NUMWASAEAZHGPC-IUCAKERBSA-N 0 3 377.337 0.074 20 0 GCADHN O=C(NCC1(c2ccc(Br)cc2)CCOCC1)C(=O)NC1CNC1 ZINC000573099203 530574655 /nfs/dbraw/zinc/57/46/55/530574655.db2.gz SCZRNYHDUQMKHZ-UHFFFAOYSA-N 0 3 396.285 0.702 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CC)[C@@H](C)CS(C)(=O)=O ZINC000451190628 530574629 /nfs/dbraw/zinc/57/46/29/530574629.db2.gz YBFANNIXMWSRCU-VHSXEESVSA-N 0 3 397.437 0.955 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@@H]1C(=O)OC ZINC000451268631 530576657 /nfs/dbraw/zinc/57/66/57/530576657.db2.gz MTYBETNNQNTHLA-BDAKNGLRSA-N 0 3 377.337 0.074 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)CCN2C1=O ZINC000573221445 530576901 /nfs/dbraw/zinc/57/69/01/530576901.db2.gz CZKCMJUWYHGXLX-WRWORJQWSA-N 0 3 389.214 0.841 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCCCC1 ZINC000514524182 530577251 /nfs/dbraw/zinc/57/72/51/530577251.db2.gz UHWREFBWMNPRRT-UHFFFAOYSA-N 0 3 375.516 0.877 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](NC(=O)NC)C1 ZINC000451397831 530579475 /nfs/dbraw/zinc/57/94/75/530579475.db2.gz CSHFITAPFKRJCJ-BDAKNGLRSA-N 0 3 375.369 0.204 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000451470867 530581291 /nfs/dbraw/zinc/58/12/91/530581291.db2.gz WPNIOPFSCLDOKL-ZJUUUORDSA-N 0 3 395.421 0.709 20 0 GCADHN CC(C)N(CCCNC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)S(C)(=O)=O ZINC000451472354 530581391 /nfs/dbraw/zinc/58/13/91/530581391.db2.gz RZWMBMYRDWOKJP-NUEKZKHPSA-N 0 3 375.535 0.566 20 0 GCADHN CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000573563384 530581712 /nfs/dbraw/zinc/58/17/12/530581712.db2.gz YRPXXYSESHTCSX-ZDUSSCGKSA-N 0 3 399.289 0.948 20 0 GCADHN COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000567987093 530551316 /nfs/dbraw/zinc/55/13/16/530551316.db2.gz PRQWQWIUPZNQPK-LLVKDONJSA-N 0 3 383.495 0.951 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(S(N)(=O)=O)s1 ZINC000519134217 530588559 /nfs/dbraw/zinc/58/85/59/530588559.db2.gz TYSQGYDIAPBOTC-NSHDSACASA-N 0 3 388.515 0.068 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000519156459 530588595 /nfs/dbraw/zinc/58/85/95/530588595.db2.gz LOFIBEVLIQSPLE-ZDUSSCGKSA-N 0 3 375.516 0.596 20 0 GCADHN CN(C)CCSCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000536011517 530589901 /nfs/dbraw/zinc/58/99/01/530589901.db2.gz ZWTIGQVUMWFZOR-UHFFFAOYSA-N 0 3 389.518 0.953 20 0 GCADHN CC[NH2+]CCC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000574571298 530592294 /nfs/dbraw/zinc/59/22/94/530592294.db2.gz DPWFKSVLDDEHDY-UHFFFAOYSA-N 0 3 375.516 0.749 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)Cc3cccc(Br)c3)CCN2C1=O ZINC000577005880 530615004 /nfs/dbraw/zinc/61/50/04/530615004.db2.gz IDLCBDNJYDQJGG-STQMWFEESA-N 0 3 388.287 0.523 20 0 GCADHN CN[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000574651917 530592983 /nfs/dbraw/zinc/59/29/83/530592983.db2.gz WDQQZVYADPKIJB-NSHDSACASA-N 0 3 390.303 0.890 20 0 GCADHN CS(=O)(=O)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1Cl ZINC000519426551 530594489 /nfs/dbraw/zinc/59/44/89/530594489.db2.gz MANZOUSRJTULSS-JQWIXIFHSA-N 0 3 386.861 0.519 20 0 GCADHN CCOC(=O)[C@](C)(O)CN(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451989050 530595478 /nfs/dbraw/zinc/59/54/78/530595478.db2.gz NZHOECGBFNEWHF-OAHLLOKOSA-N 0 3 378.422 0.098 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@](CO)(COC)C1 ZINC000452023292 530596246 /nfs/dbraw/zinc/59/62/46/530596246.db2.gz NKOQWLJLQFYBAK-CMPLNLGQSA-N 0 3 377.381 0.531 20 0 GCADHN O=C(C[C@H]1CNCCO1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000575060570 530596433 /nfs/dbraw/zinc/59/64/33/530596433.db2.gz DCDWIILTHRJRHL-ZFWWWQNUSA-N 0 3 382.258 0.827 20 0 GCADHN O=C(C[C@H]1CNCCO1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000575060567 530596475 /nfs/dbraw/zinc/59/64/75/530596475.db2.gz DCDWIILTHRJRHL-DZGCQCFKSA-N 0 3 382.258 0.827 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000575132329 530597515 /nfs/dbraw/zinc/59/75/15/530597515.db2.gz WCKYSDCLPOBYFE-CQSZACIVSA-N 0 3 396.296 0.455 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NC(C)(C)CN2CCCC2)c1 ZINC000452086417 530598765 /nfs/dbraw/zinc/59/87/65/530598765.db2.gz PKRRFJALWIJJFH-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CSC1(CNC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)CCN(C)CC1 ZINC000519737971 530600615 /nfs/dbraw/zinc/60/06/15/530600615.db2.gz VRNQTSSRHKTLEX-AWEZNQCLSA-N 0 3 377.576 0.990 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)[C@@H](CN)C1 ZINC000519814389 530601311 /nfs/dbraw/zinc/60/13/11/530601311.db2.gz RBSMNMSNXBGKFT-SOUVJXGZSA-N 0 3 395.301 0.523 20 0 GCADHN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000519827180 530601804 /nfs/dbraw/zinc/60/18/04/530601804.db2.gz MNAMYEJSHXFEPL-OLZOCXBDSA-N 0 3 375.516 0.875 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCC[NH+]1CCCCCC1 ZINC000124820462 530601882 /nfs/dbraw/zinc/60/18/82/530601882.db2.gz WZOXVHLMHYRIOW-UHFFFAOYSA-N 0 3 387.278 0.681 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccs1)NC[C@@H]1CCCN1CCCO ZINC000452355218 530603090 /nfs/dbraw/zinc/60/30/90/530603090.db2.gz XKEYUQWEAKWMIX-ZDUSSCGKSA-N 0 3 375.516 0.380 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCN1CCCO ZINC000452347119 530603115 /nfs/dbraw/zinc/60/31/15/530603115.db2.gz IFYYBOQGZXEHDS-HZPDHXFCSA-N 0 3 375.535 0.544 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)NC[C@H]1CCCN1CCCO ZINC000452349604 530603348 /nfs/dbraw/zinc/60/33/48/530603348.db2.gz BPPFHGFDHDQBHK-CQSZACIVSA-N 0 3 386.290 0.964 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452376340 530603439 /nfs/dbraw/zinc/60/34/39/530603439.db2.gz OFFGHVWJWTZYNY-HZPDHXFCSA-N 0 3 375.535 0.544 20 0 GCADHN CC(C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1)S(=O)(=O)C1CCOCC1 ZINC000532211053 530604050 /nfs/dbraw/zinc/60/40/50/530604050.db2.gz FUGCNNCGHREQRX-SMDDNHRTSA-N 0 3 390.527 0.491 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000532255752 530604071 /nfs/dbraw/zinc/60/40/71/530604071.db2.gz WCNQXUJGSRLNTO-CYBMUJFWSA-N 0 3 399.293 0.620 20 0 GCADHN CCCCN(C(=O)C(C)S(=O)(=O)C1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000532194017 530604092 /nfs/dbraw/zinc/60/40/92/530604092.db2.gz LFNBKZUVPHQVCN-UONOGXRCSA-N 0 3 395.543 0.785 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669541357 530604295 /nfs/dbraw/zinc/60/42/95/530604295.db2.gz WJCZXJIFDMUWDP-MNOVXSKESA-N 0 3 392.934 0.931 20 0 GCADHN CC1CC[NH+](CCCNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000041997788 530604828 /nfs/dbraw/zinc/60/48/28/530604828.db2.gz NUKJAKCSERBSFC-UHFFFAOYSA-N 0 3 387.278 0.537 20 0 GCADHN [NH3+]C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCCO1 ZINC000669541264 530604997 /nfs/dbraw/zinc/60/49/97/530604997.db2.gz AQGNJNMUTNFZEV-JTQLQIEISA-N 0 3 396.922 0.439 20 0 GCADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC[C@H]2CC[NH2+]C2)c1OC ZINC000576106746 530605962 /nfs/dbraw/zinc/60/59/62/530605962.db2.gz KKZKFNLKOZJUCF-SNVBAGLBSA-N 0 3 375.878 0.986 20 0 GCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000266131383 530607267 /nfs/dbraw/zinc/60/72/67/530607267.db2.gz AZVLSQAOGARKIP-CJNGLKHVSA-N 0 3 389.543 0.898 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000453297267 530607334 /nfs/dbraw/zinc/60/73/34/530607334.db2.gz ZHSJVQLWIWDLRP-JSGCOSHPSA-N 0 3 377.532 0.915 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000453297266 530607355 /nfs/dbraw/zinc/60/73/55/530607355.db2.gz ZHSJVQLWIWDLRP-GXTWGEPZSA-N 0 3 377.532 0.915 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc2c(Br)ccnc12 ZINC000453562941 530607850 /nfs/dbraw/zinc/60/78/50/530607850.db2.gz CLRZBZWJHZESDB-SNVBAGLBSA-N 0 3 395.257 0.975 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000576362115 530607981 /nfs/dbraw/zinc/60/79/81/530607981.db2.gz UGURQZOUTCVAAW-ONGXEEELSA-N 0 3 381.351 0.777 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000576516474 530609143 /nfs/dbraw/zinc/60/91/43/530609143.db2.gz CXOWRVUXBFQYLW-LNSITVRQSA-N 0 3 387.527 0.770 20 0 GCADHN COC(=O)c1cc(F)ccc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000576689554 530611059 /nfs/dbraw/zinc/61/10/59/530611059.db2.gz PJMDODSXDCAYRG-UHFFFAOYSA-N 0 3 375.466 0.726 20 0 GCADHN COCCCN(C)CCNC(=O)NCCn1cc(Br)ccc1=O ZINC000454545956 530611530 /nfs/dbraw/zinc/61/15/30/530611530.db2.gz GNKWBLPZMGBMKA-UHFFFAOYSA-N 0 3 389.294 0.878 20 0 GCADHN C[C@H](CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)N1CCCCC1 ZINC000576736117 530611598 /nfs/dbraw/zinc/61/15/98/530611598.db2.gz APYVQWUEWRYMKX-CYBMUJFWSA-N 0 3 375.516 0.877 20 0 GCADHN COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCN1C ZINC000576719099 530611857 /nfs/dbraw/zinc/61/18/57/530611857.db2.gz QAJXWSHBHSFNPE-VIFPVBQESA-N 0 3 396.282 0.779 20 0 GCADHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266239493 530612410 /nfs/dbraw/zinc/61/24/10/530612410.db2.gz VVBWGFRLFSOBEX-CZUORRHYSA-N 0 3 389.543 0.898 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000576769424 530612619 /nfs/dbraw/zinc/61/26/19/530612619.db2.gz QOZANBMCGLJJQA-GXSJLCMTSA-N 0 3 399.220 0.297 20 0 GCADHN C[C@@H](NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)C1=CCN(C)CC1 ZINC000576930885 530613779 /nfs/dbraw/zinc/61/37/79/530613779.db2.gz RXZKKKAHRMLFMX-PWSUYJOCSA-N 0 3 386.440 0.758 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(CCO)[C@H]1CCCSC1 ZINC000451563002 530584641 /nfs/dbraw/zinc/58/46/41/530584641.db2.gz JDCRUEUMZWWNBJ-HNNXBMFYSA-N 0 3 390.575 0.940 20 0 GCADHN CC(C)[C@@H](CNC(=O)NC[C@H]1CS(=O)(=O)CCO1)N1CCC(C)CC1 ZINC000535787757 530584707 /nfs/dbraw/zinc/58/47/07/530584707.db2.gz DEJXGCJZYHXAIM-JKSUJKDBSA-N 0 3 375.535 0.856 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000573905309 530585212 /nfs/dbraw/zinc/58/52/12/530585212.db2.gz KKSYMQRHEXYXSH-MNOVXSKESA-N 0 3 392.934 0.931 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(Cl)c1 ZINC000574055163 530586398 /nfs/dbraw/zinc/58/63/98/530586398.db2.gz SFBKXJPPTZMMDV-JQWIXIFHSA-N 0 3 387.845 0.059 20 0 GCADHN CC(C)C[C@@H](CN1CCCC1)NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000451655524 530586443 /nfs/dbraw/zinc/58/64/43/530586443.db2.gz YJQZVKSNKLBMRX-HNNXBMFYSA-N 0 3 383.580 0.698 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCCNS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000574071935 530587306 /nfs/dbraw/zinc/58/73/06/530587306.db2.gz OHRMDRFJNIVVPA-MJBXVCDLSA-N 0 3 377.532 0.086 20 0 GCADHN O=S(=O)(NCc1ccccc1CN1CCCC1)N1CCS(=O)(=O)CC1 ZINC000519110634 530587650 /nfs/dbraw/zinc/58/76/50/530587650.db2.gz IPJGOXLWHXEEOK-UHFFFAOYSA-N 0 3 387.527 0.347 20 0 GCADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)NC1CCN(C)CC1)C1CCCC1 ZINC000457446593 530623920 /nfs/dbraw/zinc/62/39/20/530623920.db2.gz CQPGVQUODYGWRX-OAHLLOKOSA-N 0 3 375.539 0.335 20 0 GCADHN CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)CC1 ZINC000330036974 530624227 /nfs/dbraw/zinc/62/42/27/530624227.db2.gz CXBOOVKSRFANIS-LSDHHAIUSA-N 0 3 379.548 0.204 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330053005 530624826 /nfs/dbraw/zinc/62/48/26/530624826.db2.gz PWVJTMHPWPYQEF-HUUCEWRRSA-N 0 3 395.591 0.698 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C[C@@]2(CCOC2)O1 ZINC000330061499 530625097 /nfs/dbraw/zinc/62/50/97/530625097.db2.gz OJLYEEZPWMAIRL-JJRVBVJISA-N 0 3 375.487 0.765 20 0 GCADHN C[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)CN1CCCC1 ZINC000330049348 530625116 /nfs/dbraw/zinc/62/51/16/530625116.db2.gz KSGFUCXZCWUESA-CQSZACIVSA-N 0 3 381.564 0.309 20 0 GCADHN CC(C(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000330063924 530625482 /nfs/dbraw/zinc/62/54/82/530625482.db2.gz QMJYIPJYGCJGCJ-CXAGYDPISA-N 0 3 375.487 0.765 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000457802061 530625908 /nfs/dbraw/zinc/62/59/08/530625908.db2.gz RPXHDQXOSMNXLL-GHMZBOCLSA-N 0 3 388.456 0.407 20 0 GCADHN CC(C(=O)N1CCN(Cc2cscn2)CC1)S(=O)(=O)C1CCOCC1 ZINC000330151101 530627712 /nfs/dbraw/zinc/62/77/12/530627712.db2.gz NKXAFHJGRKSDPP-CYBMUJFWSA-N 0 3 387.527 0.770 20 0 GCADHN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CNC3)cc2)C1 ZINC000577952126 530633923 /nfs/dbraw/zinc/63/39/23/530633923.db2.gz SAVMSCUZNMXOGH-STQMWFEESA-N 0 3 387.527 0.603 20 0 GCADHN CN1CC[C@](O)(CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000458871256 530634260 /nfs/dbraw/zinc/63/42/60/530634260.db2.gz XSPQJNVSOBQVJI-INIZCTEOSA-N 0 3 389.905 0.870 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000458954624 530634753 /nfs/dbraw/zinc/63/47/53/530634753.db2.gz KPHZQOINNBUBGN-UONOGXRCSA-N 0 3 376.523 0.209 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000458954625 530634788 /nfs/dbraw/zinc/63/47/88/530634788.db2.gz KPHZQOINNBUBGN-ZIAGYGMSSA-N 0 3 376.523 0.209 20 0 GCADHN NC[C@@H]1CCCN1C(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000331684999 530635245 /nfs/dbraw/zinc/63/52/45/530635245.db2.gz UTAFQDYPWVNMMR-ZDUSSCGKSA-N 0 3 384.278 0.759 20 0 GCADHN CN(CCC(=O)N1CCNCC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000580646131 530616821 /nfs/dbraw/zinc/61/68/21/530616821.db2.gz CDTHQIBXEGEHNH-OAHLLOKOSA-N 0 3 383.290 0.729 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1C ZINC000332256221 530643344 /nfs/dbraw/zinc/64/33/44/530643344.db2.gz CQAKLHWVKCVVQD-GJZGRUSLSA-N 0 3 387.527 0.808 20 0 GCADHN CC(C)[C@@H](C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)N(C)C ZINC000456904627 530621039 /nfs/dbraw/zinc/62/10/39/530621039.db2.gz NEQMPEUPSYTVTG-HNNXBMFYSA-N 0 3 375.466 0.897 20 0 GCADHN CS[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H]1N1CCCC1 ZINC000329819929 530621332 /nfs/dbraw/zinc/62/13/32/530621332.db2.gz GRMVAQDJTLULHW-HUUCEWRRSA-N 0 3 375.560 0.696 20 0 GCADHN CS[C@@H]1CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C[C@@H]1N1CCCC1 ZINC000329819930 530621510 /nfs/dbraw/zinc/62/15/10/530621510.db2.gz GRMVAQDJTLULHW-LSDHHAIUSA-N 0 3 375.560 0.696 20 0 GCADHN CC(C)O[C@H]1C[C@@H](NCC(=O)NC2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000639662542 530680256 /nfs/dbraw/zinc/68/02/56/530680256.db2.gz LQQTVGDYBQPYRP-CABCVRRESA-N 0 3 375.535 0.708 20 0 GCADHN CCN1C[C@H](C)N(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H]1C ZINC000498930454 530644695 /nfs/dbraw/zinc/64/46/95/530644695.db2.gz UTMBUUAGLWOGKD-CVEARBPZSA-N 0 3 376.567 0.577 20 0 GCADHN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCC(N2CCCC2)CC1 ZINC000461779304 530645421 /nfs/dbraw/zinc/64/54/21/530645421.db2.gz UYQKZRWRHPQXDK-UHFFFAOYSA-N 0 3 387.527 0.802 20 0 GCADHN N[C@@H](CC(F)F)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000498191617 530645663 /nfs/dbraw/zinc/64/56/63/530645663.db2.gz IGBMEDYOBJLIRJ-NSHDSACASA-N 0 3 383.367 0.780 20 0 GCADHN Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000349475171 530646346 /nfs/dbraw/zinc/64/63/46/530646346.db2.gz LPWUPQQDWIPZPY-ZDUSSCGKSA-N 0 3 393.535 0.206 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000461893240 530646447 /nfs/dbraw/zinc/64/64/47/530646447.db2.gz FFXCMWFKKXXOPA-UONOGXRCSA-N 0 3 387.527 0.603 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)[C@@H]1CCCN1C1CCCC1 ZINC000333446288 530659419 /nfs/dbraw/zinc/65/94/19/530659419.db2.gz MUHLUAYAUXUAMP-HNNXBMFYSA-N 0 3 375.560 0.888 20 0 GCADHN CCN(CC)[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CC(C)C ZINC000468790892 530683133 /nfs/dbraw/zinc/68/31/33/530683133.db2.gz CLQJIBRJMDABAX-HNNXBMFYSA-N 0 3 398.595 0.155 20 0 GCADHN CN1CCC[C@@]2(CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)C2)C1 ZINC000333792488 530662931 /nfs/dbraw/zinc/66/29/31/530662931.db2.gz XZNRNXOXSCPJKX-MRXNPFEDSA-N 0 3 390.575 0.492 20 0 GCADHN C[C@@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)CN1CCN(C)CC1 ZINC000465480835 530666520 /nfs/dbraw/zinc/66/65/20/530666520.db2.gz UAMPHXRNOVNCTR-LBPRGKRZSA-N 0 3 389.547 0.078 20 0 GCADHN CCN(CC)S(=O)(=O)CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465948211 530667665 /nfs/dbraw/zinc/66/76/65/530667665.db2.gz AXSIYIFQWZYODS-OAHLLOKOSA-N 0 3 378.539 0.410 20 0 GCADHN CCN(CC)S(=O)(=O)CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465948210 530667879 /nfs/dbraw/zinc/66/78/79/530667879.db2.gz AXSIYIFQWZYODS-HNNXBMFYSA-N 0 3 378.539 0.410 20 0 GCADHN COCCCN(C)CCNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000466076230 530668206 /nfs/dbraw/zinc/66/82/06/530668206.db2.gz OBBVLTHEKWAAOC-OAHLLOKOSA-N 0 3 378.539 0.458 20 0 GCADHN CCN(C1CCN(C(=O)NCCN(C)CCCOC)CC1)S(C)(=O)=O ZINC000466073709 530668223 /nfs/dbraw/zinc/66/82/23/530668223.db2.gz ZNAYEXQMUNTNPR-UHFFFAOYSA-N 0 3 378.539 0.410 20 0 GCADHN CC1CCN(C[C@H](O)CNC(=O)NC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000466077009 530668362 /nfs/dbraw/zinc/66/83/62/530668362.db2.gz JWKWLUKDVLPLHM-HWOWSKLDSA-N 0 3 375.535 0.734 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1 ZINC000609675251 530669093 /nfs/dbraw/zinc/66/90/93/530669093.db2.gz GICDXSSQZKPOGT-CQSZACIVSA-N 0 3 387.527 0.935 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000466821407 530671076 /nfs/dbraw/zinc/67/10/76/530671076.db2.gz IHUGMRDNCDDSTD-SSDOTTSWSA-N 0 3 380.189 0.705 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000466821408 530671132 /nfs/dbraw/zinc/67/11/32/530671132.db2.gz IHUGMRDNCDDSTD-ZETCQYMHSA-N 0 3 380.189 0.705 20 0 GCADHN CN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349520890 530671240 /nfs/dbraw/zinc/67/12/40/530671240.db2.gz RSLOGUMKIIGLSJ-UHFFFAOYSA-N 0 3 388.515 0.482 20 0 GCADHN CC(C)(C)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000349527395 530673472 /nfs/dbraw/zinc/67/34/72/530673472.db2.gz VWYNUXOCZBNKCY-AWEZNQCLSA-N 0 3 381.564 0.594 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@@H]1CCC[NH2+]CC1 ZINC000669579910 530675074 /nfs/dbraw/zinc/67/50/74/530675074.db2.gz ANTRALKLUPQQKB-GFCCVEGCSA-N 0 3 376.429 0.684 20 0 GCADHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000582241134 530687915 /nfs/dbraw/zinc/68/79/15/530687915.db2.gz CWVCPAFNANCJQD-ZDUSSCGKSA-N 0 3 375.516 0.877 20 0 GCADHN C[C@H](CO)N1CCCN(C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000470048838 530692624 /nfs/dbraw/zinc/69/26/24/530692624.db2.gz VFAZKFNZHYPWKT-CYBMUJFWSA-N 0 3 386.290 0.916 20 0 GCADHN CC(C)[C@@H](C(=O)NCCCN1CCCO[C@@H](C)C1)N1CCCS1(=O)=O ZINC000470103121 530692668 /nfs/dbraw/zinc/69/26/68/530692668.db2.gz YHAQORSDMFXEQY-HOTGVXAUSA-N 0 3 375.535 0.664 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC1CCOCC1 ZINC000669601826 530695169 /nfs/dbraw/zinc/69/51/69/530695169.db2.gz ZBQVLNUAWSNXFO-UHFFFAOYSA-N 0 3 376.500 0.479 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)CCS(=O)(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000367242304 530696241 /nfs/dbraw/zinc/69/62/41/530696241.db2.gz YSBGYIWNRDZBFU-HUUCEWRRSA-N 0 3 375.535 0.616 20 0 GCADHN CN(C)S(=O)(=O)CCCN(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000470808647 530697401 /nfs/dbraw/zinc/69/74/01/530697401.db2.gz RPWGZBAWEJGZEY-HOCLYGCPSA-N 0 3 375.514 0.546 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NCCS(=O)(=O)C(C)C)CC1 ZINC000367356765 530699328 /nfs/dbraw/zinc/69/93/28/530699328.db2.gz PUKSHUNKKDUKLY-UHFFFAOYSA-N 0 3 392.547 0.592 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349593355 530709780 /nfs/dbraw/zinc/70/97/80/530709780.db2.gz PNRLAFAEQDHKIN-JSGCOSHPSA-N 0 3 393.535 0.334 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000473271535 530711072 /nfs/dbraw/zinc/71/10/72/530711072.db2.gz KCSYKBIXZQMPIU-INIZCTEOSA-N 0 3 391.921 0.827 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000473552797 530712212 /nfs/dbraw/zinc/71/22/12/530712212.db2.gz QYQBNUBXVDAPFT-MRXNPFEDSA-N 0 3 375.535 0.760 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000474948667 530721329 /nfs/dbraw/zinc/72/13/29/530721329.db2.gz CFEVOQBCNTXNGB-UHFFFAOYSA-N 0 3 375.535 0.617 20 0 GCADHN C[C@H](CCS(C)(=O)=O)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000474245103 530716207 /nfs/dbraw/zinc/71/62/07/530716207.db2.gz CKHXIDKADGPOEH-KGLIPLIRSA-N 0 3 376.523 0.052 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368126466 530719951 /nfs/dbraw/zinc/71/99/51/530719951.db2.gz RFGLAKYOEOTHIO-LLVKDONJSA-N 0 3 385.262 0.560 20 0 GCADHN CN1CCC2(CCCN(S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)C2)CC1 ZINC000369723272 530735810 /nfs/dbraw/zinc/73/58/10/530735810.db2.gz WIDXLGHKAIYPNU-UHFFFAOYSA-N 0 3 387.527 0.982 20 0 GCADHN CN(CCc1cccc(Br)c1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000579099929 530738451 /nfs/dbraw/zinc/73/84/51/530738451.db2.gz ONKHCRDUAHQDKR-HNNXBMFYSA-N 0 3 397.317 0.551 20 0 GCADHN O=C(NC1CNC1)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000579099312 530738717 /nfs/dbraw/zinc/73/87/17/530738717.db2.gz WMSXFKCALCLMAM-UHFFFAOYSA-N 0 3 395.301 0.618 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000477191489 530741126 /nfs/dbraw/zinc/74/11/26/530741126.db2.gz UOMFMFXODOBZMP-HNNXBMFYSA-N 0 3 376.523 0.116 20 0 GCADHN C[C@H]1CN(CCCNC(=O)Cc2ccc(S(N)(=O)=O)s2)CCCO1 ZINC000579308687 530741475 /nfs/dbraw/zinc/74/14/75/530741475.db2.gz OILYFYFAVZRLRJ-LBPRGKRZSA-N 0 3 375.516 0.555 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000477375570 530742504 /nfs/dbraw/zinc/74/25/04/530742504.db2.gz PDZJZVBPBRNKQC-XHSDSOJGSA-N 0 3 375.535 0.111 20 0 GCADHN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1C[C@H](F)CN1 ZINC000368370459 530723027 /nfs/dbraw/zinc/72/30/27/530723027.db2.gz PMFCTQGDQNKCLC-QWRGUYRKSA-N 0 3 383.367 0.800 20 0 GCADHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)CC[C@H]2CCCCO2)CC1 ZINC000641300680 530724814 /nfs/dbraw/zinc/72/48/14/530724814.db2.gz GEBAVAKWGSPGLU-MRXNPFEDSA-N 0 3 375.535 0.665 20 0 GCADHN CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1F ZINC000368638839 530725467 /nfs/dbraw/zinc/72/54/67/530725467.db2.gz PTOFSNJUWDIKGY-QWRGUYRKSA-N 0 3 397.469 0.954 20 0 GCADHN CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](OC)C[C@@H]2CN)cc1 ZINC000578070195 530725502 /nfs/dbraw/zinc/72/55/02/530725502.db2.gz LDXQTBFPEMOTBC-ZIAGYGMSSA-N 0 3 390.527 0.997 20 0 GCADHN COC[C@H]1CCCCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000368756560 530727007 /nfs/dbraw/zinc/72/70/07/530727007.db2.gz IFQIXMUILBSMBM-INIZCTEOSA-N 0 3 377.551 0.911 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000369063875 530728744 /nfs/dbraw/zinc/72/87/44/530728744.db2.gz KXWWDHZQZNXLOH-GFCCVEGCSA-N 0 3 391.515 0.877 20 0 GCADHN NC(=O)[C@@H]1CC[C@@H](CNC[C@@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000578316330 530729230 /nfs/dbraw/zinc/72/92/30/530729230.db2.gz WVKWSBZWPDPZDO-DYEKYZERSA-N 0 3 391.237 0.950 20 0 GCADHN CN(CC1CCN(C)CC1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000578431159 530731649 /nfs/dbraw/zinc/73/16/49/530731649.db2.gz OGVHNKIEDCMCAU-UHFFFAOYSA-N 0 3 389.543 0.568 20 0 GCADHN CN(C)CCOCCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000476383947 530732537 /nfs/dbraw/zinc/73/25/37/530732537.db2.gz ZLGYKEUIRYNLTJ-UHFFFAOYSA-N 0 3 391.515 0.077 20 0 GCADHN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000476399287 530732822 /nfs/dbraw/zinc/73/28/22/530732822.db2.gz TZCIJMQMLGKJCT-GJZGRUSLSA-N 0 3 376.519 0.873 20 0 GCADHN COCCCN(C)CCNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000369632550 530733906 /nfs/dbraw/zinc/73/39/06/530733906.db2.gz XNTVWFPVBOIPON-HNNXBMFYSA-N 0 3 376.523 0.164 20 0 GCADHN C[NH2+][C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418150865 530750082 /nfs/dbraw/zinc/75/00/82/530750082.db2.gz DNOCYRYNUJLVLU-NSHDSACASA-N 0 3 378.857 0.761 20 0 GCADHN C[NH2+][C@@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418163595 530750197 /nfs/dbraw/zinc/75/01/97/530750197.db2.gz GLCXBKLFOSLLDF-GFCCVEGCSA-N 0 3 376.429 0.637 20 0 GCADHN [NH3+][C@@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000418168151 530750921 /nfs/dbraw/zinc/75/09/21/530750921.db2.gz KZOGGJUWCWRLLB-LBPRGKRZSA-N 0 3 378.857 0.794 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@H](CO)CN1CCCCC1 ZINC000580836332 530751455 /nfs/dbraw/zinc/75/14/55/530751455.db2.gz ZZXGVHOSBLFHRG-AWEZNQCLSA-N 0 3 389.905 0.581 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000580904068 530752244 /nfs/dbraw/zinc/75/22/44/530752244.db2.gz ZVCNGLZTPMEAEQ-LDYMZIIASA-N 0 3 379.360 0.360 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CN2CCN1CCC2 ZINC000371354429 530752998 /nfs/dbraw/zinc/75/29/98/530752998.db2.gz MGUHLTGLTIXYQT-OAHLLOKOSA-N 0 3 386.905 0.124 20 0 GCADHN [NH3+]C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCO1 ZINC000581071665 530753742 /nfs/dbraw/zinc/75/37/42/530753742.db2.gz MZPJKXHHFODRLS-JTQLQIEISA-N 0 3 396.296 0.848 20 0 GCADHN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CNCCO1 ZINC000418227936 530754445 /nfs/dbraw/zinc/75/44/45/530754445.db2.gz DFSHHMOLSCSSKS-CYBMUJFWSA-N 0 3 375.878 0.791 20 0 GCADHN CN1CC[C@@H]2[C@H](CCCN2C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000371561243 530754997 /nfs/dbraw/zinc/75/49/97/530754997.db2.gz HYQRRAOSUVMMNY-HUUCEWRRSA-N 0 3 390.575 0.491 20 0 GCADHN O=C(CN[C@H]1CCCC[C@H]1C(F)(F)F)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000581189012 530755420 /nfs/dbraw/zinc/75/54/20/530755420.db2.gz QVBXBONJKMATRD-MXWKQRLJSA-N 0 3 385.408 0.710 20 0 GCADHN NC[C@H](C(=O)NCCS(=O)(=O)N1CCSCC1)c1ccc(F)cc1 ZINC000479159654 530755690 /nfs/dbraw/zinc/75/56/90/530755690.db2.gz RXBVEVUWWYSJHR-AWEZNQCLSA-N 0 3 375.491 0.363 20 0 GCADHN CCN(CCNS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(C)C ZINC000479320528 530757377 /nfs/dbraw/zinc/75/73/77/530757377.db2.gz NOIFEBCSKHKULF-UHFFFAOYSA-N 0 3 377.532 0.912 20 0 GCADHN C[C@H]1NCCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000581430345 530758167 /nfs/dbraw/zinc/75/81/67/530758167.db2.gz ZQSYEPYWYJKTAI-GHMZBOCLSA-N 0 3 390.303 0.936 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)CCN2C1=O ZINC000582312404 530758457 /nfs/dbraw/zinc/75/84/57/530758457.db2.gz WWDNCBPTQFPWKP-UFBFGSQYSA-N 0 3 381.351 0.777 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)CCN2C1=O ZINC000582312403 530758760 /nfs/dbraw/zinc/75/87/60/530758760.db2.gz WWDNCBPTQFPWKP-QPUJVOFHSA-N 0 3 381.351 0.777 20 0 GCADHN COCCCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000641600387 530759887 /nfs/dbraw/zinc/75/98/87/530759887.db2.gz LOVFNUBUJIODNT-HOTGVXAUSA-N 0 3 377.551 0.910 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000641599325 530760660 /nfs/dbraw/zinc/76/06/60/530760660.db2.gz TVOXODMOVSZSLP-PMPSAXMXSA-N 0 3 375.535 0.662 20 0 GCADHN CC(C)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000641599325 530760664 /nfs/dbraw/zinc/76/06/64/530760664.db2.gz TVOXODMOVSZSLP-PMPSAXMXSA-N 0 3 375.535 0.662 20 0 GCADHN CC[C@@H](CS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1)OC ZINC000641599850 530761400 /nfs/dbraw/zinc/76/14/00/530761400.db2.gz FHUKPALSLLRXGZ-PMPSAXMXSA-N 0 3 377.551 0.908 20 0 GCADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2I)CC1 ZINC000581661452 530761754 /nfs/dbraw/zinc/76/17/54/530761754.db2.gz DHNTWHSJKVICAA-WCQYABFASA-N 0 3 399.232 0.923 20 0 GCADHN COC[C@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(C)C ZINC000581789261 530762910 /nfs/dbraw/zinc/76/29/10/530762910.db2.gz HTEVNJNCIZIUHT-AWEZNQCLSA-N 0 3 392.543 0.971 20 0 GCADHN CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480249005 530762956 /nfs/dbraw/zinc/76/29/56/530762956.db2.gz CSFFWUIRUIHTTR-AWEZNQCLSA-N 0 3 392.547 0.259 20 0 GCADHN Cc1ncsc1CCS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000579674818 530745675 /nfs/dbraw/zinc/74/56/75/530745675.db2.gz NGANBQCFOFOTJF-UHFFFAOYSA-N 0 3 386.543 0.564 20 0 GCADHN CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000477614819 530746088 /nfs/dbraw/zinc/74/60/88/530746088.db2.gz UTLVQDHTKPBSQK-LLVKDONJSA-N 0 3 376.504 0.426 20 0 GCADHN CCC[N@H+]1CCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000477614819 530746089 /nfs/dbraw/zinc/74/60/89/530746089.db2.gz UTLVQDHTKPBSQK-LLVKDONJSA-N 0 3 376.504 0.426 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)cc1C ZINC000641442527 530746103 /nfs/dbraw/zinc/74/61/03/530746103.db2.gz WFHOOZWOWMNSSC-ZIAGYGMSSA-N 0 3 375.516 0.664 20 0 GCADHN O=C(Nc1ccnn1Cc1ccccc1Br)C(=O)NC1CNC1 ZINC000579687641 530746610 /nfs/dbraw/zinc/74/66/10/530746610.db2.gz JHLTYCJZEQVWSB-UHFFFAOYSA-N 0 3 378.230 0.720 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cncc(Br)c1 ZINC000371089779 530747532 /nfs/dbraw/zinc/74/75/32/530747532.db2.gz UZCGYGBULOXRHY-STQMWFEESA-N 0 3 383.246 0.762 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cncc(Br)c1 ZINC000371089770 530747755 /nfs/dbraw/zinc/74/77/55/530747755.db2.gz UZCGYGBULOXRHY-CHWSQXEVSA-N 0 3 383.246 0.762 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](O)COCC(C)C ZINC000480674409 530769642 /nfs/dbraw/zinc/76/96/42/530769642.db2.gz XXECRBIDHIAMHB-HNNXBMFYSA-N 0 3 376.523 0.373 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CCN(C2CCCC2)CC1 ZINC000372766579 530772524 /nfs/dbraw/zinc/77/25/24/530772524.db2.gz LJQASHXIQLLOMZ-UHFFFAOYSA-N 0 3 381.564 0.594 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000480904301 530772998 /nfs/dbraw/zinc/77/29/98/530772998.db2.gz FTABROFUVAFQLX-LLVKDONJSA-N 0 3 380.536 0.163 20 0 GCADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC2CCN(C)CC2)C1 ZINC000372852498 530774689 /nfs/dbraw/zinc/77/46/89/530774689.db2.gz SCJRBLPOPVXILT-HNNXBMFYSA-N 0 3 376.523 0.163 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1C[NH2+]CCO1 ZINC000582361265 530774916 /nfs/dbraw/zinc/77/49/16/530774916.db2.gz WSWZYHMIMSUXJK-VIFPVBQESA-N 0 3 382.269 0.376 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1F ZINC000373060192 530776568 /nfs/dbraw/zinc/77/65/68/530776568.db2.gz WJFMEJDLBGXGCW-IAQYHMDHSA-N 0 3 391.490 0.960 20 0 GCADHN Cc1nsc(N2CCN(C(=O)C(C)S(=O)(=O)C3CCOCC3)CC2)n1 ZINC000482429689 530784669 /nfs/dbraw/zinc/78/46/69/530784669.db2.gz ACLKLRLDFXMZTG-NSHDSACASA-N 0 3 388.515 0.477 20 0 GCADHN CC(C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)S(=O)(=O)C1CCOCC1 ZINC000482838496 530786499 /nfs/dbraw/zinc/78/64/99/530786499.db2.gz LVGGDKBREZZVRG-SNPRPXQTSA-N 0 3 393.527 0.537 20 0 GCADHN CN(C)CCn1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)n1 ZINC000654653821 530765478 /nfs/dbraw/zinc/76/54/78/530765478.db2.gz MEGWIZDXGOOLDC-AWEZNQCLSA-N 0 3 383.543 0.535 20 0 GCADHN CCCCN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000480638612 530767745 /nfs/dbraw/zinc/76/77/45/530767745.db2.gz KIFMKGGDJIQLRK-UHFFFAOYSA-N 0 3 377.532 0.913 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](N(C)C)C2)cc1C ZINC000480635235 530767789 /nfs/dbraw/zinc/76/77/89/530767789.db2.gz LWSRIBZJDJNGRO-ZDUSSCGKSA-N 0 3 375.516 0.618 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1C ZINC000480647871 530768163 /nfs/dbraw/zinc/76/81/63/530768163.db2.gz PAAPTJCGYJCAAM-HIFRSBDPSA-N 0 3 389.543 0.864 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(Br)n1 ZINC000375296644 530800686 /nfs/dbraw/zinc/80/06/86/530800686.db2.gz RDJQZVJIFDPGEB-QWRGUYRKSA-N 0 3 383.246 0.762 20 0 GCADHN CC(C)O[C@@]1(CS(=O)(=O)N2CCC(OCCN(C)C)CC2)CCOC1 ZINC000659915278 530803606 /nfs/dbraw/zinc/80/36/06/530803606.db2.gz HAXNAJHUZMQCRB-KRWDZBQOSA-N 0 3 378.535 0.943 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)cc1)N[C@H](CO)CN1CCCC1 ZINC000646223172 530789597 /nfs/dbraw/zinc/78/95/97/530789597.db2.gz COKJOCQFGPYNAY-AWEZNQCLSA-N 0 3 384.274 0.752 20 0 GCADHN CC(C)NS(=O)(=O)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000375757656 530806810 /nfs/dbraw/zinc/80/68/10/530806810.db2.gz KTCGYCGUEZQDDB-CQSZACIVSA-N 0 3 376.523 0.209 20 0 GCADHN CCN(C1CCN(C(=O)NCCCN(C)CCOC)CC1)S(C)(=O)=O ZINC000066977068 530790851 /nfs/dbraw/zinc/79/08/51/530790851.db2.gz AQXWSSCTQQAXAH-UHFFFAOYSA-N 0 3 378.539 0.410 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1 ZINC000067501980 530791973 /nfs/dbraw/zinc/79/19/73/530791973.db2.gz ACSGITVFAGMIIY-LBPRGKRZSA-N 0 3 376.500 0.765 20 0 GCADHN CCCN(C(=O)[C@H](C)N[C@@H]1CCOC[C@@H]1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000484614432 530794244 /nfs/dbraw/zinc/79/42/44/530794244.db2.gz CKKPHNLFHSXVTB-JONQDZQNSA-N 0 3 376.519 0.584 20 0 GCADHN CCCCN(C(=O)CN[C@@H]1CCOC[C@H]1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000484648015 530794539 /nfs/dbraw/zinc/79/45/39/530794539.db2.gz ZMKAYUOBTFUVQH-ARFHVFGLSA-N 0 3 376.519 0.586 20 0 GCADHN CCCCN(C(=O)CN[C@@H]1CCOC[C@@H]1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000484648017 530794659 /nfs/dbraw/zinc/79/46/59/530794659.db2.gz ZMKAYUOBTFUVQH-OAGGEKHMSA-N 0 3 376.519 0.586 20 0 GCADHN COCCOCCOCCS(=O)(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000374720093 530795297 /nfs/dbraw/zinc/79/52/97/530795297.db2.gz XBQORWINXUGZIS-QGZVFWFLSA-N 0 3 378.535 0.946 20 0 GCADHN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000620531445 530827703 /nfs/dbraw/zinc/82/77/03/530827703.db2.gz FSIJXPYRXFSSQA-GFCCVEGCSA-N 0 3 384.527 0.719 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(S(=O)(=O)N2CCSCC2)c[n-]1 ZINC000620531445 530827706 /nfs/dbraw/zinc/82/77/06/530827706.db2.gz FSIJXPYRXFSSQA-GFCCVEGCSA-N 0 3 384.527 0.719 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(S(=O)(=O)N2CCSCC2)c[n-]1 ZINC000620531445 530827710 /nfs/dbraw/zinc/82/77/10/530827710.db2.gz FSIJXPYRXFSSQA-GFCCVEGCSA-N 0 3 384.527 0.719 20 0 GCADHN C[C@H]1CN(CCCNC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CCCO1 ZINC000490365096 530827930 /nfs/dbraw/zinc/82/79/30/530827930.db2.gz IJOXJQRGHZHRKP-LSDHHAIUSA-N 0 3 376.523 0.163 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620927334 530830910 /nfs/dbraw/zinc/83/09/10/530830910.db2.gz IXLQSRIJGAHXLR-UHFFFAOYSA-N 0 3 399.289 0.950 20 0 GCADHN CSC1(CNC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CCN(C)CC1 ZINC000491076465 530831567 /nfs/dbraw/zinc/83/15/67/530831567.db2.gz LJKIOZYIQFQMGI-CYBMUJFWSA-N 0 3 378.564 0.489 20 0 GCADHN CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000491499833 530832855 /nfs/dbraw/zinc/83/28/55/530832855.db2.gz IBKHHKDSDNXGGV-CYBMUJFWSA-N 0 3 375.516 0.557 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000491581330 530833863 /nfs/dbraw/zinc/83/38/63/530833863.db2.gz LJZHUXFVDPEPRN-KBPBESRZSA-N 0 3 389.543 0.946 20 0 GCADHN Cc1cccc(OCCNC(=O)C(C)S(=O)(=O)CCCS(C)(=O)=O)c1 ZINC000492130536 530836155 /nfs/dbraw/zinc/83/61/55/530836155.db2.gz ZQJLSGRNSLDZKH-CQSZACIVSA-N 0 3 391.511 0.728 20 0 GCADHN CC[C@@H](C)N[C@@H](CNC(=O)NCCNS(=O)(=O)N(C)C)c1ccco1 ZINC000655912705 530812482 /nfs/dbraw/zinc/81/24/82/530812482.db2.gz CEZZYMVEEDZCKY-OLZOCXBDSA-N 0 3 375.495 0.404 20 0 GCADHN CN(C)[C@]1(CNC(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)CCSC1 ZINC000487592998 530813592 /nfs/dbraw/zinc/81/35/92/530813592.db2.gz VSWAZHMCMMRUIJ-HOCLYGCPSA-N 0 3 390.575 0.633 20 0 GCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000056786892 530815666 /nfs/dbraw/zinc/81/56/66/530815666.db2.gz UTBKNXDOTBAQMI-LSDHHAIUSA-N 0 3 375.539 0.240 20 0 GCADHN Cn1cc(CN(CCO)Cc2cccc(Br)c2)c(=O)n(C)c1=O ZINC000488391524 530817020 /nfs/dbraw/zinc/81/70/20/530817020.db2.gz AVCVRJKFVJRPIC-UHFFFAOYSA-N 0 3 382.258 0.841 20 0 GCADHN CN(C)S(=O)(=O)CCNC[C@H](O)COc1cccc(Br)c1 ZINC000405403050 530819325 /nfs/dbraw/zinc/81/93/25/530819325.db2.gz XWGFLMSQMWDXEX-LBPRGKRZSA-N 0 3 381.292 0.670 20 0 GCADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1CCN(CCCOC)CC1 ZINC000489138591 530821134 /nfs/dbraw/zinc/82/11/34/530821134.db2.gz KGWHFGFEKFBHCT-HNNXBMFYSA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CCN(C2CCCCC2)CC1 ZINC000377210374 530823840 /nfs/dbraw/zinc/82/38/40/530823840.db2.gz UHPUYPSAIFBBQS-UHFFFAOYSA-N 0 3 395.591 0.984 20 0 GCADHN CC(C(=O)NCC(C)(C)[C@]1(O)CCCOC1)S(=O)(=O)C1CCOCC1 ZINC000620111506 530825341 /nfs/dbraw/zinc/82/53/41/530825341.db2.gz KYCKJCKXUDDYCT-GUYCJALGSA-N 0 3 377.503 0.653 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCOc3ccc(Br)cc3)CCN2C1=O ZINC000582737699 530847194 /nfs/dbraw/zinc/84/71/94/530847194.db2.gz VSSZETYGNOBFAU-OCCSQVGLSA-N 0 3 397.273 0.781 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H](C)CCCC[NH3+])s1 ZINC000495126147 530848034 /nfs/dbraw/zinc/84/80/34/530848034.db2.gz BXVDVERLEFXVBZ-LLVKDONJSA-N 0 3 390.531 0.296 20 0 GCADHN CC(C(=O)N1CCC(C)CC1)S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000656532547 530849159 /nfs/dbraw/zinc/84/91/59/530849159.db2.gz OYQCZVQBCWZMAL-SNVBAGLBSA-N 0 3 383.396 0.797 20 0 GCADHN CS[C@@H]1CN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)C[C@H]1N(C)C ZINC000495654883 530849446 /nfs/dbraw/zinc/84/94/46/530849446.db2.gz MUAGBJFEPBXFSM-NEXFUWMNSA-N 0 3 377.576 0.989 20 0 GCADHN CN1CCN(CCCNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000496118229 530849743 /nfs/dbraw/zinc/84/97/43/530849743.db2.gz DVXWFZZIYOUOOG-UHFFFAOYSA-N 0 3 388.559 0.207 20 0 GCADHN C[C@H](CCO)CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000582905311 530856092 /nfs/dbraw/zinc/85/60/92/530856092.db2.gz LECQEQBCJPVPDM-AWEZNQCLSA-N 0 3 392.543 0.709 20 0 GCADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000582939221 530856527 /nfs/dbraw/zinc/85/65/27/530856527.db2.gz OENGXUGNCLFPMJ-CQSZACIVSA-N 0 3 377.576 0.992 20 0 GCADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000499893414 530856967 /nfs/dbraw/zinc/85/69/67/530856967.db2.gz CJOWVRZYUFVZLH-CVEARBPZSA-N 0 3 375.535 0.617 20 0 GCADHN CCS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000499895660 530857203 /nfs/dbraw/zinc/85/72/03/530857203.db2.gz LZNFOSPCYRAJCC-INIZCTEOSA-N 0 3 375.535 0.617 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCCS(=O)(=O)N1CCCC1 ZINC000499932133 530857459 /nfs/dbraw/zinc/85/74/59/530857459.db2.gz RHWHXASDYUCBMK-MRXNPFEDSA-N 0 3 375.535 0.761 20 0 GCADHN C[C@@H](NC(C)(C)CNS(=O)(=O)N1CCS(=O)(=O)CC1)c1ccccc1 ZINC000500104611 530859392 /nfs/dbraw/zinc/85/93/92/530859392.db2.gz GQODADUKCXHSOX-CQSZACIVSA-N 0 3 389.543 0.681 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(Cl)n1 ZINC000189734991 530866762 /nfs/dbraw/zinc/86/67/62/530866762.db2.gz GHQQCYVIBGAIKS-CYBMUJFWSA-N 0 3 386.905 0.971 20 0 GCADHN CC(C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)F)cc1 ZINC000583763893 530871488 /nfs/dbraw/zinc/87/14/88/530871488.db2.gz NLQQKULSBKFWFA-UHFFFAOYSA-N 0 3 399.485 0.849 20 0 GCADHN Cc1nc(N2CCN(C(=O)C3(S(C)(=O)=O)CCNCC3)CC2)sc1C ZINC000582547071 530845642 /nfs/dbraw/zinc/84/56/42/530845642.db2.gz IVKMYTYLRJBMKB-UHFFFAOYSA-N 0 3 386.543 0.575 20 0 GCADHN Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)C2CCCS2(=O)=O)s1 ZINC000582555010 530845664 /nfs/dbraw/zinc/84/56/64/530845664.db2.gz FZUNGCUUJDKGDT-ZJUUUORDSA-N 0 3 375.497 0.869 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(Br)c1F ZINC000657751088 530901679 /nfs/dbraw/zinc/90/16/79/530901679.db2.gz FVTVZANPZCCGNX-CQSZACIVSA-N 0 3 376.226 0.956 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)CN(CC)CC ZINC000480687147 530901917 /nfs/dbraw/zinc/90/19/17/530901917.db2.gz DZIZUGLSWQUZMV-ZDUSSCGKSA-N 0 3 377.532 0.993 20 0 GCADHN NS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000646576081 530908515 /nfs/dbraw/zinc/90/85/15/530908515.db2.gz TWEQZMJPUKHYFT-UONOGXRCSA-N 0 3 386.543 0.917 20 0 GCADHN COc1cc(CNCC(C)(C)NS(C)(=O)=O)cc(Cl)c1OCC(N)=O ZINC000067005895 530887274 /nfs/dbraw/zinc/88/72/74/530887274.db2.gz BIQLUZRWACLIIQ-UHFFFAOYSA-N 0 3 393.893 0.630 20 0 GCADHN O=S(=O)(CCCS(=O)(=O)N1CC[C@H](N2CCCC2)C1)Nc1cn[nH]c1 ZINC000349519697 530888528 /nfs/dbraw/zinc/88/85/28/530888528.db2.gz JAVBHYQDKCJDSD-AWEZNQCLSA-N 0 3 391.519 0.041 20 0 GCADHN COc1ccc(Br)c(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000504531240 530890579 /nfs/dbraw/zinc/89/05/79/530890579.db2.gz DHDYLMYEIHSLRC-OAHLLOKOSA-N 0 3 388.262 0.825 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)ccc1Br ZINC000504520761 530890751 /nfs/dbraw/zinc/89/07/51/530890751.db2.gz XUHAJWHTMCRIPW-OAHLLOKOSA-N 0 3 388.262 0.825 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000504560402 530890853 /nfs/dbraw/zinc/89/08/53/530890853.db2.gz HIAUMZMYGKTYMT-HNNXBMFYSA-N 0 3 391.877 0.111 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000505159071 530892577 /nfs/dbraw/zinc/89/25/77/530892577.db2.gz DCWORWGYQDRKLX-MFKMUULPSA-N 0 3 394.540 0.790 20 0 GCADHN COc1ncc([C@H](C)NCCN2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000671295854 530893217 /nfs/dbraw/zinc/89/32/17/530893217.db2.gz BIORDTUUISWEPW-LBPRGKRZSA-N 0 3 376.910 0.971 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Br)c2ncccc12 ZINC000657518199 530896384 /nfs/dbraw/zinc/89/63/84/530896384.db2.gz GFXBHKXAVRXCIB-JTQLQIEISA-N 0 3 395.257 0.975 20 0 GCADHN CC[C@H](C)[C@H](NC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)OC ZINC000510743712 530930384 /nfs/dbraw/zinc/93/03/84/530930384.db2.gz BIUUPBBVPIUSJG-XFMPKHEZSA-N 0 3 377.507 0.140 20 0 GCADHN COCCNCCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000418511822 530930531 /nfs/dbraw/zinc/93/05/31/530930531.db2.gz RWSIVTFFLUFZJW-AWEZNQCLSA-N 0 3 399.289 0.868 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000510845384 530931173 /nfs/dbraw/zinc/93/11/73/530931173.db2.gz WDEHZROSQXGIQG-UHFFFAOYSA-N 0 3 383.923 0.764 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000510845384 530931177 /nfs/dbraw/zinc/93/11/77/530931177.db2.gz WDEHZROSQXGIQG-UHFFFAOYSA-N 0 3 383.923 0.764 20 0 GCADHN NC[C@H](NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C1CCCC1 ZINC000418630758 530931470 /nfs/dbraw/zinc/93/14/70/530931470.db2.gz XGHBTOWESPBWAU-STQMWFEESA-N 0 3 375.516 0.699 20 0 GCADHN NC[C@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C1CCCC1 ZINC000418630756 530931791 /nfs/dbraw/zinc/93/17/91/530931791.db2.gz XGHBTOWESPBWAU-OLZOCXBDSA-N 0 3 375.516 0.699 20 0 GCADHN O=C(NC[C@@H](CO)Cc1cccc(Br)c1)NC[C@H]1CNCCO1 ZINC000418759526 530934214 /nfs/dbraw/zinc/93/42/14/530934214.db2.gz GGSXWOUMQDDJQH-DZGCQCFKSA-N 0 3 386.290 0.888 20 0 GCADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000584509199 530917111 /nfs/dbraw/zinc/91/71/11/530917111.db2.gz IFYMWJDBQUKIBQ-UHFFFAOYSA-N 0 3 386.294 0.734 20 0 GCADHN CN(C)C(=O)CN1CCC(NCc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631068768 530919254 /nfs/dbraw/zinc/91/92/54/530919254.db2.gz VKIXNWPSKKSCDT-UHFFFAOYSA-N 0 3 388.921 0.630 20 0 GCADHN COCCCN1CCC(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000509802632 530921790 /nfs/dbraw/zinc/92/17/90/530921790.db2.gz HTNKITFPDCVXLQ-CQSZACIVSA-N 0 3 376.523 0.068 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCOCC[NH3+])cc1F ZINC000624409684 530924495 /nfs/dbraw/zinc/92/44/95/530924495.db2.gz LNEXXIRGJUNPEU-UHFFFAOYSA-N 0 3 383.467 0.183 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000419368464 530958343 /nfs/dbraw/zinc/95/83/43/530958343.db2.gz ZDXIXMSYOQTPCJ-JTQLQIEISA-N 0 3 385.262 0.149 20 0 GCADHN O=C(NCc1ccc([O-])c(Br)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419404483 530958363 /nfs/dbraw/zinc/95/83/63/530958363.db2.gz GASNAWWUZLUXHC-VXGBXAGGSA-N 0 3 382.258 0.839 20 0 GCADHN CN(CCOCC[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000627003751 530958396 /nfs/dbraw/zinc/95/83/96/530958396.db2.gz DZTICFJCBHQIHA-UHFFFAOYSA-N 0 3 384.911 0.297 20 0 GCADHN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)C(=O)N(CCN)CCO ZINC000419485500 530959263 /nfs/dbraw/zinc/95/92/63/530959263.db2.gz YTOVEHNKEOPTNS-JTQLQIEISA-N 0 3 390.253 0.415 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)s1 ZINC000419800332 530962152 /nfs/dbraw/zinc/96/21/52/530962152.db2.gz HMOKMHVLAODBAB-UHFFFAOYSA-N 0 3 388.515 0.050 20 0 GCADHN NCCNC(=O)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000419813600 530962257 /nfs/dbraw/zinc/96/22/57/530962257.db2.gz GYXJVCTWZQKJII-UHFFFAOYSA-N 0 3 375.292 0.230 20 0 GCADHN CCCC[C@H](CN)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000419788775 530962498 /nfs/dbraw/zinc/96/24/98/530962498.db2.gz SOMQCMISGALRSZ-GFCCVEGCSA-N 0 3 389.905 0.993 20 0 GCADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000419766845 530962517 /nfs/dbraw/zinc/96/25/17/530962517.db2.gz YYBCHKIIVPAPLE-LLVKDONJSA-N 0 3 389.283 0.468 20 0 GCADHN CSCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000262157161 530962553 /nfs/dbraw/zinc/96/25/53/530962553.db2.gz OKSVIPTXYJDACX-OAHLLOKOSA-N 0 3 392.591 0.720 20 0 GCADHN CCCN(CCN(CC)CC)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000632214716 530963267 /nfs/dbraw/zinc/96/32/67/530963267.db2.gz JIZDYIYLVMIUJK-HNNXBMFYSA-N 0 3 383.580 0.652 20 0 GCADHN NCCNC(=O)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000419820901 530963395 /nfs/dbraw/zinc/96/33/95/530963395.db2.gz SQWLHSCRVCRPAJ-UHFFFAOYSA-N 0 3 379.770 0.477 20 0 GCADHN CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H](C)C[NH3+] ZINC000521046262 530963747 /nfs/dbraw/zinc/96/37/47/530963747.db2.gz HMVXKOKUKGACSP-DGCLKSJQSA-N 0 3 377.507 0.937 20 0 GCADHN [NH3+]CCCOCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000627029692 530964570 /nfs/dbraw/zinc/96/45/70/530964570.db2.gz XPFNENLPFNNKBQ-UHFFFAOYSA-N 0 3 396.872 0.422 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000418801946 530935381 /nfs/dbraw/zinc/93/53/81/530935381.db2.gz CQRGHZTYJLWDIM-OPRDCNLKSA-N 0 3 388.287 0.587 20 0 GCADHN CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1)N1CCCC1 ZINC000511431269 530937605 /nfs/dbraw/zinc/93/76/05/530937605.db2.gz QZNGDYNYKYEUKJ-HZPDHXFCSA-N 0 3 375.535 1.000 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000420026375 530964837 /nfs/dbraw/zinc/96/48/37/530964837.db2.gz JEHXAGHDGXWIPZ-TVQRCGJNSA-N 0 3 388.237 0.952 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173269488 530942479 /nfs/dbraw/zinc/94/24/79/530942479.db2.gz HUZQENCPCFLWQH-GFCCVEGCSA-N 0 3 399.289 0.680 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173269488 530942481 /nfs/dbraw/zinc/94/24/81/530942481.db2.gz HUZQENCPCFLWQH-GFCCVEGCSA-N 0 3 399.289 0.680 20 0 GCADHN COCCN(Cc1sccc1Br)C(=O)C(=O)N[C@H](C)CN ZINC000420030496 530964987 /nfs/dbraw/zinc/96/49/87/530964987.db2.gz PUMRVLXGTBBKJV-SECBINFHSA-N 0 3 378.292 0.949 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000631649285 530944223 /nfs/dbraw/zinc/94/42/23/530944223.db2.gz UVULTAFDBIWHEN-UHFFFAOYSA-N 0 3 375.516 0.274 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420053327 530965190 /nfs/dbraw/zinc/96/51/90/530965190.db2.gz DJIKOQXOOIEDKC-CYBMUJFWSA-N 0 3 397.273 0.666 20 0 GCADHN NC[C@@H]1CCCN1C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418974319 530952706 /nfs/dbraw/zinc/95/27/06/530952706.db2.gz PIPPFVLHEWLCQZ-VIFPVBQESA-N 0 3 380.246 0.891 20 0 GCADHN COc1ccc([C@H](C)NC(=O)C(=O)N(CCN)CCO)cc1Br ZINC000419010306 530953723 /nfs/dbraw/zinc/95/37/23/530953723.db2.gz PKRSTIOCBHDOQB-JTQLQIEISA-N 0 3 388.262 0.415 20 0 GCADHN CC[C@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419051686 530953885 /nfs/dbraw/zinc/95/38/85/530953885.db2.gz GJRVMAFQXBRRDQ-KGLIPLIRSA-N 0 3 398.301 0.991 20 0 GCADHN CN(C)S(=O)(=O)NCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000646783453 530953980 /nfs/dbraw/zinc/95/39/80/530953980.db2.gz LJETUTLWFXJGIT-UHFFFAOYSA-N 0 3 386.543 0.612 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419050338 530954124 /nfs/dbraw/zinc/95/41/24/530954124.db2.gz DHPMRCBIGPYUHM-CABZTGNLSA-N 0 3 383.246 0.134 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419073340 530954542 /nfs/dbraw/zinc/95/45/42/530954542.db2.gz CLNQGLILPCNJMK-CQSZACIVSA-N 0 3 396.285 0.702 20 0 GCADHN CCCC[C@H](CN)NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000419133746 530955548 /nfs/dbraw/zinc/95/55/48/530955548.db2.gz GHUHSRZDBNPBJV-GFCCVEGCSA-N 0 3 390.531 0.085 20 0 GCADHN O=C(NCCCOc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CNCCO1 ZINC000419134895 530956018 /nfs/dbraw/zinc/95/60/18/530956018.db2.gz LFFJEWHNOPXXGF-LBPRGKRZSA-N 0 3 390.267 0.983 20 0 GCADHN COc1ccc(Br)cc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419200391 530956334 /nfs/dbraw/zinc/95/63/34/530956334.db2.gz DOCLKNFGUBFQCR-LBPRGKRZSA-N 0 3 386.246 0.179 20 0 GCADHN CC(C)(CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccccc1Br ZINC000419186608 530956681 /nfs/dbraw/zinc/95/66/81/530956681.db2.gz MGXDAYCIVYADGM-LBPRGKRZSA-N 0 3 398.301 0.948 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000420754066 530973343 /nfs/dbraw/zinc/97/33/43/530973343.db2.gz NYKKNIHZLMQZSP-NXEZZACHSA-N 0 3 377.381 0.672 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCC[C@@H](CCO)CC1)S(C)(=O)=O ZINC000421018117 530976211 /nfs/dbraw/zinc/97/62/11/530976211.db2.gz OAYGGUVPMWPNDA-MRXNPFEDSA-N 0 3 377.551 0.647 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCN1CCC(O)CC1 ZINC000522860836 530978189 /nfs/dbraw/zinc/97/81/89/530978189.db2.gz FANMRDIAVMSREQ-MRXNPFEDSA-N 0 3 375.535 0.544 20 0 GCADHN O=C(CSc1nnnn1CC(F)(F)F)NCCCN1CCC(O)CC1 ZINC000522923985 530978750 /nfs/dbraw/zinc/97/87/50/530978750.db2.gz PKINITNJMPDSHK-UHFFFAOYSA-N 0 3 382.412 0.291 20 0 GCADHN CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000571795086 530981402 /nfs/dbraw/zinc/98/14/02/530981402.db2.gz LDAVNVVLTSFRQK-LLVKDONJSA-N 0 3 375.472 0.105 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000633105801 530982542 /nfs/dbraw/zinc/98/25/42/530982542.db2.gz OPTZVZOBROCAAS-GWCFXTLKSA-N 0 3 392.283 0.997 20 0 GCADHN CC(C)N1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000524155591 530984637 /nfs/dbraw/zinc/98/46/37/530984637.db2.gz ZTVQSBSGOHDBIS-LBPRGKRZSA-N 0 3 375.516 0.880 20 0 GCADHN CCN(Cc1ccccc1Br)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420191408 530966087 /nfs/dbraw/zinc/96/60/87/530966087.db2.gz GXCQJAIZKGNULJ-ZDUSSCGKSA-N 0 3 384.274 0.902 20 0 GCADHN CN(Cc1csc(Br)c1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420198948 530966797 /nfs/dbraw/zinc/96/67/97/530966797.db2.gz MWTBLXFDEVBAAQ-SNVBAGLBSA-N 0 3 376.276 0.574 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNS(=O)(=O)CCCN1CCCC1 ZINC000632331124 530966810 /nfs/dbraw/zinc/96/68/10/530966810.db2.gz GBBBDWNVNJUAEL-HUUCEWRRSA-N 0 3 381.564 0.500 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000187192127 530966966 /nfs/dbraw/zinc/96/69/66/530966966.db2.gz DZGNRQGSMTWTTK-CYBMUJFWSA-N 0 3 379.477 0.700 20 0 GCADHN O=S(=O)([N-]CCC[NH2+]C1CC1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000420448729 530967250 /nfs/dbraw/zinc/96/72/50/530967250.db2.gz LZBUKUFKUZVCNQ-UHFFFAOYSA-N 0 3 387.527 0.892 20 0 GCADHN [NH3+]CC[C@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(F)F ZINC000420464476 530968043 /nfs/dbraw/zinc/96/80/43/530968043.db2.gz PDDWDWVAEYHHKV-ZDUSSCGKSA-N 0 3 397.469 0.732 20 0 GCADHN Cn1cc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)cc1C(=O)NCC(F)(F)F ZINC000420458084 530968067 /nfs/dbraw/zinc/96/80/67/530968067.db2.gz IKSBTUMYHIZTRS-QMMMGPOBSA-N 0 3 392.350 0.578 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)NCCCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000524217621 530984988 /nfs/dbraw/zinc/98/49/88/530984988.db2.gz AOLNSRXMLWKOBC-GASCZTMLSA-N 0 3 375.535 0.952 20 0 GCADHN [NH3+]CC[C@@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(F)F ZINC000420456198 530968292 /nfs/dbraw/zinc/96/82/92/530968292.db2.gz GSKCKOHCUHYXIF-GFCCVEGCSA-N 0 3 383.442 0.388 20 0 GCADHN [NH3+]CC[C@H]([N-]S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(F)F ZINC000420452112 530968307 /nfs/dbraw/zinc/96/83/07/530968307.db2.gz BZABMBDJXOAWEU-ZDUSSCGKSA-N 0 3 397.469 0.732 20 0 GCADHN [NH3+]CC[C@H]([N-]S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(F)F ZINC000420470777 530968643 /nfs/dbraw/zinc/96/86/43/530968643.db2.gz XPRCDXOAYGYWAJ-LBPRGKRZSA-N 0 3 383.442 0.388 20 0 GCADHN CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1F ZINC000420476532 530968705 /nfs/dbraw/zinc/96/87/05/530968705.db2.gz ILEPDJNYKMQMKN-LLVKDONJSA-N 0 3 395.478 0.243 20 0 GCADHN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NC[C@H]2CNCCO2)cn1 ZINC000420477021 530968746 /nfs/dbraw/zinc/96/87/46/530968746.db2.gz JFHGORAKGYGGMJ-GFCCVEGCSA-N 0 3 386.861 0.801 20 0 GCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000632370360 530968781 /nfs/dbraw/zinc/96/87/81/530968781.db2.gz YTXNBWOZORQEHJ-DZGCQCFKSA-N 0 3 375.516 0.319 20 0 GCADHN [NH3+]CC[C@@H]([N-]S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(F)F ZINC000420470776 530968803 /nfs/dbraw/zinc/96/88/03/530968803.db2.gz XPRCDXOAYGYWAJ-GFCCVEGCSA-N 0 3 383.442 0.388 20 0 GCADHN COc1cc(S(=O)(=O)NC[C@H]2CNCCO2)c(OC)cc1Br ZINC000420475154 530968833 /nfs/dbraw/zinc/96/88/33/530968833.db2.gz GGWUDHVOVGJFRP-SECBINFHSA-N 0 3 395.275 0.733 20 0 GCADHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000420467417 530968898 /nfs/dbraw/zinc/96/88/98/530968898.db2.gz SGXHUAIFJRPLBA-HNNXBMFYSA-N 0 3 377.532 0.450 20 0 GCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000632368471 530969025 /nfs/dbraw/zinc/96/90/25/530969025.db2.gz HWGMLEMSKXOXMJ-LRDDRELGSA-N 0 3 387.527 0.840 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000521682506 530969086 /nfs/dbraw/zinc/96/90/86/530969086.db2.gz GCIHPGLNNAOHLP-UHFFFAOYSA-N 0 3 375.535 0.664 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](N(C)C)[C@H]2C)cc1C ZINC000632369996 530969122 /nfs/dbraw/zinc/96/91/22/530969122.db2.gz TZYKPHQTFZGWHR-OCCSQVGLSA-N 0 3 375.516 0.616 20 0 GCADHN Cc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1I ZINC000420481427 530969523 /nfs/dbraw/zinc/96/95/23/530969523.db2.gz QYRONTAQPLUSJU-SNVBAGLBSA-N 0 3 396.250 0.866 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC(=O)NCC(F)(F)F ZINC000189560587 530970447 /nfs/dbraw/zinc/97/04/47/530970447.db2.gz ORPMXVVQEZOFSN-UHFFFAOYSA-N 0 3 385.412 0.018 20 0 GCADHN O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000648825734 530992030 /nfs/dbraw/zinc/99/20/30/530992030.db2.gz QVAUJNHXRKNUEP-NSHDSACASA-N 0 3 377.413 0.128 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CN)c(Br)c1 ZINC000262029558 530992373 /nfs/dbraw/zinc/99/23/73/530992373.db2.gz JOTZXQZALBTLPH-VIFPVBQESA-N 0 3 397.316 0.964 20 0 GCADHN COCC1(C[N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)CC[NH2+]CC1 ZINC000262049545 530992410 /nfs/dbraw/zinc/99/24/10/530992410.db2.gz QAVOGZDZTRMFGZ-UHFFFAOYSA-N 0 3 389.543 0.721 20 0 GCADHN C[C@@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C[C@@H]1N ZINC000262075591 530993258 /nfs/dbraw/zinc/99/32/58/530993258.db2.gz PVCRSBOXEHJWNZ-KCJUWKMLSA-N 0 3 397.316 0.820 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)s1 ZINC000262115054 530993675 /nfs/dbraw/zinc/99/36/75/530993675.db2.gz IDPOBVAFYCDDSL-LBPRGKRZSA-N 0 3 395.572 0.508 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](C[NH2+]C)C2)c(OC)c1 ZINC000262125781 530993870 /nfs/dbraw/zinc/99/38/70/530993870.db2.gz LHHGVICZNWMQSH-LBPRGKRZSA-N 0 3 391.515 0.687 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C[NH2+]C)C2)cc1F ZINC000262157664 530994647 /nfs/dbraw/zinc/99/46/47/530994647.db2.gz TWWVEUSHONNFJP-LLVKDONJSA-N 0 3 379.479 0.817 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCNCC2)s1 ZINC000262169228 530995066 /nfs/dbraw/zinc/99/50/66/530995066.db2.gz WVRVQMNGVZVQOP-UHFFFAOYSA-N 0 3 381.545 0.214 20 0 GCADHN C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000262320242 530996282 /nfs/dbraw/zinc/99/62/82/530996282.db2.gz QFQZPRBUZPFROX-IXPVHAAZSA-N 0 3 375.441 0.806 20 0 GCADHN CCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000262326031 530996339 /nfs/dbraw/zinc/99/63/39/530996339.db2.gz UDPZNHLPCCQSDT-LBPRGKRZSA-N 0 3 389.499 0.495 20 0 GCADHN COC[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCC[NH2+]1 ZINC000262343514 530996572 /nfs/dbraw/zinc/99/65/72/530996572.db2.gz SYOMYKNTGWIBMG-OAHLLOKOSA-N 0 3 391.877 0.251 20 0 GCADHN CN(C)CCN(CCN(C)C)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000527289937 530997472 /nfs/dbraw/zinc/99/74/72/530997472.db2.gz SQHYXLSCOXIIAW-UHFFFAOYSA-N 0 3 376.548 0.786 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCN1CCCCC1 ZINC000572202712 530986681 /nfs/dbraw/zinc/98/66/81/530986681.db2.gz WAEGTUNJRCEJRN-OAHLLOKOSA-N 0 3 375.539 0.432 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000524591979 530987388 /nfs/dbraw/zinc/98/73/88/530987388.db2.gz YCSOHQMOCFLMNH-AWEZNQCLSA-N 0 3 389.543 0.986 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)Cc2c(F)cccc2F)C1 ZINC000161991414 530987592 /nfs/dbraw/zinc/98/75/92/530987592.db2.gz HRXCIXCQXGXRRA-LBPRGKRZSA-N 0 3 375.441 0.972 20 0 GCADHN COc1ccc(Br)cc1CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572258205 530987704 /nfs/dbraw/zinc/98/77/04/530987704.db2.gz LRKBGVIVBWECLG-STQMWFEESA-N 0 3 382.258 0.771 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NCc2cccc(CS(N)(=O)=O)c2)CCSC1 ZINC000669653568 530988168 /nfs/dbraw/zinc/98/81/68/530988168.db2.gz PQAMEGOCDHRBFA-MRXNPFEDSA-N 0 3 386.543 0.712 20 0 GCADHN CC(C)O[C@]1(CS(=O)(=O)NCCCCN2CCC[C@@H]2CO)CCOC1 ZINC000659915029 530998368 /nfs/dbraw/zinc/99/83/68/530998368.db2.gz NTBGKVMUAOYVBL-IAGOWNOFSA-N 0 3 378.535 0.727 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC(C)(C)[NH3+])c(OC)c1 ZINC000658390316 530989335 /nfs/dbraw/zinc/98/93/35/530989335.db2.gz WDHOHFZMHIIQIS-UHFFFAOYSA-N 0 3 379.504 0.815 20 0 GCADHN NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)c2ccc(Br)cc2)C1 ZINC000237932641 530989384 /nfs/dbraw/zinc/98/93/84/530989384.db2.gz OPCZILUQEVQKOQ-LBPRGKRZSA-N 0 3 382.258 0.945 20 0 GCADHN O=S(=O)([N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cn2c(n1)CCCC2 ZINC000261614035 530989667 /nfs/dbraw/zinc/98/96/67/530989667.db2.gz AQHHVVLRYPOKMP-LLVKDONJSA-N 0 3 381.424 0.334 20 0 GCADHN CCn1nc(C)c(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000261749235 530989944 /nfs/dbraw/zinc/98/99/44/530989944.db2.gz QAXFKUBLMMMQKB-LBPRGKRZSA-N 0 3 383.440 0.634 20 0 GCADHN COCCN(CCOC)S(=O)(=O)N1CCNC[C@H]1c1cccc(F)c1 ZINC000261804433 530989981 /nfs/dbraw/zinc/98/99/81/530989981.db2.gz MDGINCCBCMCNNU-INIZCTEOSA-N 0 3 375.466 0.612 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCCNCC1 ZINC000262471399 530990255 /nfs/dbraw/zinc/99/02/55/530990255.db2.gz KBHXTUHTJCMHHU-UHFFFAOYSA-N 0 3 381.376 0.685 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000660336741 531006900 /nfs/dbraw/zinc/00/69/00/531006900.db2.gz OJKKPUUGRUBKMN-OWCLPIDISA-N 0 3 375.535 0.854 20 0 GCADHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CCNS(C)(=O)=O)CC1 ZINC000614446151 531008257 /nfs/dbraw/zinc/00/82/57/531008257.db2.gz NJZORWXMSOMGEP-HNNXBMFYSA-N 0 3 377.551 0.646 20 0 GCADHN CCN1CCCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H](C)C1 ZINC000660791962 531009657 /nfs/dbraw/zinc/00/96/57/531009657.db2.gz QZFPHSZYVHLKTH-MRXNPFEDSA-N 0 3 376.567 0.579 20 0 GCADHN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000332956353 531010491 /nfs/dbraw/zinc/01/04/91/531010491.db2.gz KNMMQLUQPIWLGD-OUCADQQQSA-N 0 3 392.543 0.785 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCSC1 ZINC000332955808 531010564 /nfs/dbraw/zinc/01/05/64/531010564.db2.gz IOCXDOPDOKXFOD-DZGCQCFKSA-N 0 3 378.564 0.395 20 0 GCADHN CC(C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000332962930 531010631 /nfs/dbraw/zinc/01/06/31/531010631.db2.gz ODGZJDFQCFUNND-WCQYABFASA-N 0 3 392.543 0.785 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CCSC1 ZINC000332966738 531010644 /nfs/dbraw/zinc/01/06/44/531010644.db2.gz VDAIJFLGYZXSMI-DZGCQCFKSA-N 0 3 378.564 0.537 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)CC[NH3+])c(OC)c1 ZINC000422552614 531013857 /nfs/dbraw/zinc/01/38/57/531013857.db2.gz HSYIOLPVDUGWAU-UHFFFAOYSA-N 0 3 379.504 0.863 20 0 GCADHN CN(CCCNC(=O)CN1CCC[C@@H]([C@H]2CCCCO2)C1)S(C)(=O)=O ZINC000661872094 531016737 /nfs/dbraw/zinc/01/67/37/531016737.db2.gz AVAYBLIWWGKGNR-HZPDHXFCSA-N 0 3 375.535 0.665 20 0 GCADHN Cn1cc(I)c(CN[C@H](C2CC2)[C@H]2CNCCO2)n1 ZINC000423155474 531017424 /nfs/dbraw/zinc/01/74/24/531017424.db2.gz LEQBPXOYAZMYJR-CHWSQXEVSA-N 0 3 376.242 0.881 20 0 GCADHN CN(C(=O)C(=O)N1CCC[C@@H](N)C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000423564373 531018067 /nfs/dbraw/zinc/01/80/67/531018067.db2.gz PLBQAMDMPBDMPK-YPMHNXCESA-N 0 3 385.873 0.577 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000423990495 531019412 /nfs/dbraw/zinc/01/94/12/531019412.db2.gz KIRUJOGJGHBKEP-NEPJUHHUSA-N 0 3 382.258 0.907 20 0 GCADHN O=C(COc1ccc(I)cc1)NC[C@@H]1CNCCO1 ZINC000423987299 531019556 /nfs/dbraw/zinc/01/95/56/531019556.db2.gz HGKOBCVAQQAWNV-LBPRGKRZSA-N 0 3 376.194 0.775 20 0 GCADHN [NH3+][C@@H]1Cc2ccccc2N(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000424078273 531020247 /nfs/dbraw/zinc/02/02/47/531020247.db2.gz QFLGANUFEAZFSF-SNVBAGLBSA-N 0 3 379.214 0.628 20 0 GCADHN N[C@@H](C(=O)Nc1nc(N2CCNCC2)n[nH]1)c1ccccc1Br ZINC000662426315 531021409 /nfs/dbraw/zinc/02/14/09/531021409.db2.gz PLJNMBRTYRIPOF-LLVKDONJSA-N 0 3 380.250 0.615 20 0 GCADHN CC(C)[NH+](CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(C)C ZINC000032238857 531021818 /nfs/dbraw/zinc/02/18/18/531021818.db2.gz WHRLFELRBNKHJL-UHFFFAOYSA-N 0 3 375.267 0.534 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000123428403 531022387 /nfs/dbraw/zinc/02/23/87/531022387.db2.gz NDBOGJAMCKBXEO-NSHDSACASA-N 0 3 391.209 0.268 20 0 GCADHN C[C@@]1(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[NH2+]C1 ZINC000663007512 531029825 /nfs/dbraw/zinc/02/98/25/531029825.db2.gz ASRPYGKVJFXECI-LLVKDONJSA-N 0 3 382.305 0.657 20 0 GCADHN CCN(CC)C(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000663296147 531032068 /nfs/dbraw/zinc/03/20/68/531032068.db2.gz DWECSQHTLHYKMC-GFCCVEGCSA-N 0 3 376.500 0.766 20 0 GCADHN CNS(=O)(=O)c1ccc(CS(=O)(=O)C(C)C(=O)NCC(C)C)cc1 ZINC000663296178 531032402 /nfs/dbraw/zinc/03/24/02/531032402.db2.gz GKVKNOSIUNUSMY-GFCCVEGCSA-N 0 3 376.500 0.670 20 0 GCADHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC(=O)NCCCN(C)S(C)(=O)=O ZINC000538380294 531032422 /nfs/dbraw/zinc/03/24/22/531032422.db2.gz LZBIGUCOKAKZHM-CZUORRHYSA-N 0 3 377.507 0.096 20 0 GCADHN C[C@]1([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)CC[NH2+]C1 ZINC000663313128 531033225 /nfs/dbraw/zinc/03/32/25/531033225.db2.gz RSEIJAYSWJAFBF-LBPRGKRZSA-N 0 3 397.316 0.883 20 0 GCADHN CN(C)C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000614746008 531033521 /nfs/dbraw/zinc/03/35/21/531033521.db2.gz NZKRORWSWULJEF-ZDUSSCGKSA-N 0 3 376.910 0.497 20 0 GCADHN NC[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000415438344 531062166 /nfs/dbraw/zinc/06/21/66/531062166.db2.gz BISCFJCIXNERJQ-CYBMUJFWSA-N 0 3 392.257 1.427 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000262762112 531063674 /nfs/dbraw/zinc/06/36/74/531063674.db2.gz GIEWNQJMBZIBRF-NWDGAFQWSA-N 0 3 395.572 0.649 20 0 GCADHN CCOC(=O)CCS(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000542758883 531068845 /nfs/dbraw/zinc/06/88/45/531068845.db2.gz JSLGIPJIBUWAGX-UHFFFAOYSA-N 0 3 375.535 0.619 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@@H](C)CCS(C)(=O)=O)CC1 ZINC000542147608 531064201 /nfs/dbraw/zinc/06/42/01/531064201.db2.gz CRVWJOXHINLKCE-UONOGXRCSA-N 0 3 376.519 0.980 20 0 GCADHN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC[NH2+]1 ZINC000262769122 531064232 /nfs/dbraw/zinc/06/42/32/531064232.db2.gz LUAPNVLVGUVMJL-ZIAGYGMSSA-N 0 3 387.527 0.890 20 0 GCADHN CNCCNS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000262769170 531064826 /nfs/dbraw/zinc/06/48/26/531064826.db2.gz UZIHPBDJFGFQFA-UHFFFAOYSA-N 0 3 375.516 0.667 20 0 GCADHN [NH3+]CCCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000262777656 531065276 /nfs/dbraw/zinc/06/52/76/531065276.db2.gz KKPMFEXDPBPNIB-UHFFFAOYSA-N 0 3 389.421 0.544 20 0 GCADHN C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000262773608 531065293 /nfs/dbraw/zinc/06/52/93/531065293.db2.gz WIJZOVFEMPRURL-GHMZBOCLSA-N 0 3 379.479 0.945 20 0 GCADHN CNCCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000262780854 531066216 /nfs/dbraw/zinc/06/62/16/531066216.db2.gz ZAAKXWYGPXMKJB-KBPBESRZSA-N 0 3 389.543 0.851 20 0 GCADHN Cn1cc([C@@H]2CN(S(=O)(=O)c3cc(Cl)cc(C(N)=O)c3)C[C@H]2N)cn1 ZINC000424390117 531035974 /nfs/dbraw/zinc/03/59/74/531035974.db2.gz JJTAICIHVSEIDK-UONOGXRCSA-N 0 3 383.861 0.288 20 0 GCADHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000614813545 531036203 /nfs/dbraw/zinc/03/62/03/531036203.db2.gz XNDJMIINKJGSOV-OKILXGFUSA-N 0 3 389.543 0.980 20 0 GCADHN Cc1c(Br)cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c(=O)n1C ZINC000627264476 531036407 /nfs/dbraw/zinc/03/64/07/531036407.db2.gz UQBPRZMQDQQRKS-VXGBXAGGSA-N 0 3 384.274 0.737 20 0 GCADHN COC(=O)c1scc(C)c1S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424395629 531036507 /nfs/dbraw/zinc/03/65/07/531036507.db2.gz VRJJHVFHUKQSNY-NWDGAFQWSA-N 0 3 384.483 0.692 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)s1 ZINC000424390768 531036700 /nfs/dbraw/zinc/03/67/00/531036700.db2.gz 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ZINC000545156992 531083386 /nfs/dbraw/zinc/08/33/86/531083386.db2.gz RNWMVGAITRMVKU-CYBMUJFWSA-N 0 3 381.907 0.205 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000545155173 531083537 /nfs/dbraw/zinc/08/35/37/531083537.db2.gz JNOSWHJFFRGPIA-OAHLLOKOSA-N 0 3 375.878 0.191 20 0 GCADHN COc1ccc([C@@H](CNc2ncc(S(N)(=O)=O)s2)N(C)C)cc1OC ZINC000443438063 531085145 /nfs/dbraw/zinc/08/51/45/531085145.db2.gz QBXQNZRFMRKHMV-LLVKDONJSA-N 0 3 386.499 1.523 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)c2cc(Cn3cc(Br)cn3)on2)C1 ZINC000545861806 531088199 /nfs/dbraw/zinc/08/81/99/531088199.db2.gz DXCKIYWONNYOEX-CQSZACIVSA-N 0 3 384.234 0.478 20 0 GCADHN CC(C)N1CC[C@H](N(C)S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000515461615 531089479 /nfs/dbraw/zinc/08/94/79/531089479.db2.gz BJPSUSQWZWPKFL-HNNXBMFYSA-N 0 3 389.543 0.709 20 0 GCADHN O=C(CN1CC[NH2+]CC1)NCc1cn(-c2cc(Br)ccc2[O-])nn1 ZINC000630592825 531090901 /nfs/dbraw/zinc/09/09/01/531090901.db2.gz XZIPSAWLRQSLEJ-UHFFFAOYSA-N 0 3 395.261 0.257 20 0 GCADHN C[C@H](c1ccc(Cl)cc1)n1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000630594615 531091088 /nfs/dbraw/zinc/09/10/88/531091088.db2.gz VGEITKDCMYEMRL-GFCCVEGCSA-N 0 3 384.893 0.780 20 0 GCADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000546583325 531091825 /nfs/dbraw/zinc/09/18/25/531091825.db2.gz QQTIOKIJCLLMHA-AWEZNQCLSA-N 0 3 392.200 0.849 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000547277513 531096046 /nfs/dbraw/zinc/09/60/46/531096046.db2.gz MFQPGYANGHGJCJ-WMLDXEAASA-N 0 3 396.285 0.985 20 0 GCADHN O=C(CNS(=O)(=O)CCOCC1CCC1)NCCN1CCCCCC1 ZINC000645728439 531096730 /nfs/dbraw/zinc/09/67/30/531096730.db2.gz BVIRYGPDKVVTHM-UHFFFAOYSA-N 0 3 375.535 0.715 20 0 GCADHN CN1CCN(CCCCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000547790277 531103436 /nfs/dbraw/zinc/10/34/36/531103436.db2.gz JUHSTRROZGFWMZ-UHFFFAOYSA-N 0 3 383.440 0.751 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000262802312 531069512 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/nfs/dbraw/zinc/10/93/63/531109363.db2.gz XKDGPJYDSFHVLE-LPEHRKFASA-N 0 3 388.412 0.213 20 0 GCADHN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000430324906 531111800 /nfs/dbraw/zinc/11/18/00/531111800.db2.gz VYZOJGBOIOPMLB-QMMMGPOBSA-N 0 3 392.239 0.757 20 0 GCADHN C[C@@H]1CN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)N1 ZINC000430966493 531113983 /nfs/dbraw/zinc/11/39/83/531113983.db2.gz NZYGOXGNKIEKQN-RBSFLKMASA-N 0 3 385.555 0.946 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000548298873 531114531 /nfs/dbraw/zinc/11/45/31/531114531.db2.gz UAVBCYNZJONXGU-CYBMUJFWSA-N 0 3 375.516 0.605 20 0 GCADHN O=C(CNS(=O)(=O)CCC1CCOCC1)NCCN1CCCCCC1 ZINC000431589029 531116693 /nfs/dbraw/zinc/11/66/93/531116693.db2.gz IVWDOMYOAQZAOF-UHFFFAOYSA-N 0 3 375.535 0.715 20 0 GCADHN CC(C(=O)NCc1cccs1)S(=O)(=O)Cc1nnnn1CC(F)(F)F ZINC000431576037 531116772 /nfs/dbraw/zinc/11/67/72/531116772.db2.gz BYFSDDIRCREQMF-MRVPVSSYSA-N 0 3 397.404 0.917 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](CO)CN(C)C ZINC000673520636 531117250 /nfs/dbraw/zinc/11/72/50/531117250.db2.gz LJKRGIIQLUQPNG-BDAKNGLRSA-N 0 3 378.292 0.668 20 0 GCADHN O=C(NCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1cccc(Br)c1 ZINC000673519097 531117621 /nfs/dbraw/zinc/11/76/21/531117621.db2.gz XMEUCURSLXQKTG-LSDHHAIUSA-N 0 3 396.285 0.846 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1 ZINC000673990767 531120552 /nfs/dbraw/zinc/12/05/52/531120552.db2.gz NXMCTMKEGJNUFP-CYBMUJFWSA-N 0 3 386.543 0.508 20 0 GCADHN CN(C)Cc1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000674013733 531121065 /nfs/dbraw/zinc/12/10/65/531121065.db2.gz ZPECXLZYVGBGMV-UHFFFAOYSA-N 0 3 383.495 0.874 20 0 GCADHN CSCC[C@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000263287752 531121676 /nfs/dbraw/zinc/12/16/76/531121676.db2.gz VIBFQRQKUXVWAC-HNNXBMFYSA-N 0 3 386.543 0.642 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000432388340 531123452 /nfs/dbraw/zinc/12/34/52/531123452.db2.gz QJSDBCUFWFTHOH-AWEZNQCLSA-N 0 3 376.523 0.163 20 0 GCADHN C[C@H](CS(C)(=O)=O)N(C)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000432429233 531123655 /nfs/dbraw/zinc/12/36/55/531123655.db2.gz DOSFVOOSXWIGPF-CQSZACIVSA-N 0 3 376.523 0.053 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000432465879 531123752 /nfs/dbraw/zinc/12/37/52/531123752.db2.gz VDPRIJBRNPHHQO-GJZGRUSLSA-N 0 3 376.523 0.163 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000432465881 531124498 /nfs/dbraw/zinc/12/44/98/531124498.db2.gz VDPRIJBRNPHHQO-LSDHHAIUSA-N 0 3 376.523 0.163 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCN1CCC(OC)CC1 ZINC000674311351 531124960 /nfs/dbraw/zinc/12/49/60/531124960.db2.gz CMNTWNGZROIJNY-INIZCTEOSA-N 0 3 375.535 0.808 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C[C@@H](C)O1 ZINC000433095342 531127121 /nfs/dbraw/zinc/12/71/21/531127121.db2.gz XSGRGOFYADRKBB-RBSFLKMASA-N 0 3 377.551 0.956 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000433197265 531127194 /nfs/dbraw/zinc/12/71/94/531127194.db2.gz QXRNMVPHPVGPMK-AWEZNQCLSA-N 0 3 377.551 0.956 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)c1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000549628354 531128059 /nfs/dbraw/zinc/12/80/59/531128059.db2.gz MPCLSPGVLNFEKQ-NEPJUHHUSA-N 0 3 394.540 0.958 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CSCCN3)CC2)cc1 ZINC000434869446 531138474 /nfs/dbraw/zinc/13/84/74/531138474.db2.gz NJGBUQZUBJXGQP-OAHLLOKOSA-N 0 3 383.539 0.923 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)s1 ZINC000552158313 531142882 /nfs/dbraw/zinc/14/28/82/531142882.db2.gz MFFVMFXXSVXLLX-RDBSUJKOSA-N 0 3 387.527 0.343 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000445554329 531143049 /nfs/dbraw/zinc/14/30/49/531143049.db2.gz ZISLAGRUEFCNPZ-NWDGAFQWSA-N 0 3 395.572 0.778 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000446409470 531143728 /nfs/dbraw/zinc/14/37/28/531143728.db2.gz WHTWXBIWPZTSCQ-NEPJUHHUSA-N 0 3 388.515 0.049 20 0 GCADHN CN(C)CCCS(=O)(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000632545966 531146044 /nfs/dbraw/zinc/14/60/44/531146044.db2.gz KQJFMWQCMBLMMR-UHFFFAOYSA-N 0 3 393.307 0.445 20 0 GCADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000552750415 531146226 /nfs/dbraw/zinc/14/62/26/531146226.db2.gz XLSOSLUOSKAZQZ-LLVKDONJSA-N 0 3 375.516 0.614 20 0 GCADHN CC[C@H](C)N(C)CCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000552750416 531146257 /nfs/dbraw/zinc/14/62/57/531146257.db2.gz XLSOSLUOSKAZQZ-NSHDSACASA-N 0 3 375.516 0.614 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@H]1CCCN(CC2CC2)C1 ZINC000660178476 531146491 /nfs/dbraw/zinc/14/64/91/531146491.db2.gz FOOJXZIXSAEJHS-OAHLLOKOSA-N 0 3 381.564 0.309 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000553034662 531147307 /nfs/dbraw/zinc/14/73/07/531147307.db2.gz NSTQNQHFVBHRTB-CYBMUJFWSA-N 0 3 375.516 0.557 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNCc1cccc(S(C)(=O)=O)c1 ZINC000449329187 531150979 /nfs/dbraw/zinc/15/09/79/531150979.db2.gz MZXNFPOFQJITPQ-HNNXBMFYSA-N 0 3 389.543 0.841 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CCCN(C)C2)c(S(N)(=O)=O)c1 ZINC000553387053 531151638 /nfs/dbraw/zinc/15/16/38/531151638.db2.gz QDSMKYYBXFTEMS-LBPRGKRZSA-N 0 3 390.531 0.338 20 0 GCADHN CNS(=O)(=O)CCCN[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000678754759 531153333 /nfs/dbraw/zinc/15/33/33/531153333.db2.gz MDSFUYRMMLCDFR-CYBMUJFWSA-N 0 3 375.516 0.816 20 0 GCADHN CN(CCNC(=O)CN(C)[C@@H]1CCSC1)C(=O)CN(C)[C@H]1CCSC1 ZINC000438363837 531153994 /nfs/dbraw/zinc/15/39/94/531153994.db2.gz MBRUIYHZXSVBOQ-CABCVRRESA-N 0 3 388.603 0.436 20 0 GCADHN CN(C)C1(CN(C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CCC1 ZINC000553915562 531157962 /nfs/dbraw/zinc/15/79/62/531157962.db2.gz FPKGIJGLILMVQF-NSHDSACASA-N 0 3 388.456 0.934 20 0 GCADHN COCCN(C)CCCNC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000553602913 531155057 /nfs/dbraw/zinc/15/50/57/531155057.db2.gz NRTVTYXCIAGDTB-OAHLLOKOSA-N 0 3 378.539 0.268 20 0 GCADHN COCCNc1nc(N[C@H]2CSC[C@@H]2C)nc(N[C@@H]2CSC[C@@H]2C)n1 ZINC000553675037 531155478 /nfs/dbraw/zinc/15/54/78/531155478.db2.gz SYHCJAZFHCXIKZ-ZDEQEGDKSA-N 0 3 384.575 0.522 20 0 GCADHN C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H](C)C1 ZINC000553782944 531156071 /nfs/dbraw/zinc/15/60/71/531156071.db2.gz FNLVNSNATJDLFM-DMDPSCGWSA-N 0 3 399.289 0.900 20 0 GCADHN C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H](C)C1 ZINC000553782944 531156075 /nfs/dbraw/zinc/15/60/75/531156075.db2.gz FNLVNSNATJDLFM-DMDPSCGWSA-N 0 3 399.289 0.900 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553967964 531158476 /nfs/dbraw/zinc/15/84/76/531158476.db2.gz GCYXDZZDYZXGMI-YUSALJHKSA-N 0 3 386.440 0.591 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553967963 531158497 /nfs/dbraw/zinc/15/84/97/531158497.db2.gz GCYXDZZDYZXGMI-USWWRNFRSA-N 0 3 386.440 0.591 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](C)[S@](=O)CC1 ZINC000439186760 531159969 /nfs/dbraw/zinc/15/99/69/531159969.db2.gz GUSLJFGTGZBEHA-DAOPMYJZSA-N 0 3 376.548 0.593 20 0 GCADHN CN(C[C@H](O)CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)C1CC1 ZINC000554932667 531166252 /nfs/dbraw/zinc/16/62/52/531166252.db2.gz MBDMTEZWUDUOMA-AWEZNQCLSA-N 0 3 387.468 0.730 20 0 GCADHN CN(C)[C@@]1(CNC(=O)CNS(=O)(=O)c2cccc(F)c2)CCSC1 ZINC000555055172 531167063 /nfs/dbraw/zinc/16/70/63/531167063.db2.gz MBWCSMBZDOGKKU-OAHLLOKOSA-N 0 3 375.491 0.658 20 0 GCADHN COc1ccccc1CS(=O)(=O)C(C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000555462961 531169646 /nfs/dbraw/zinc/16/96/46/531169646.db2.gz USVOSCJTOFVBOZ-OCCSQVGLSA-N 0 3 389.495 0.644 20 0 GCADHN C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc([N-]S(C)(=O)=O)c(F)c3)C[C@H]21 ZINC000629353731 531168996 /nfs/dbraw/zinc/16/89/96/531168996.db2.gz OTAAHABXXFZHRS-YABSGUDNSA-N 0 3 377.463 0.378 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1 ZINC000440365527 531171835 /nfs/dbraw/zinc/17/18/35/531171835.db2.gz OVSIRVJPNZOKTN-CYBMUJFWSA-N 0 3 375.516 0.747 20 0 GCADHN CC(C)[C@@H](CO)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440540794 531174412 /nfs/dbraw/zinc/17/44/12/531174412.db2.gz ZIJNXGCSJBIYMP-CYBMUJFWSA-N 0 3 378.516 0.317 20 0 GCADHN CC(C)[C@H](CCO)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440529918 531173627 /nfs/dbraw/zinc/17/36/27/531173627.db2.gz XIHLWFPFVURVOQ-AWEZNQCLSA-N 0 3 392.543 0.707 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)Nc1ccc2c(c1)CNCC2 ZINC000564641994 531174878 /nfs/dbraw/zinc/17/48/78/531174878.db2.gz XGFOKAATSNMADC-UHFFFAOYSA-N 0 3 384.527 0.832 20 0 GCADHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000440756677 531176262 /nfs/dbraw/zinc/17/62/62/531176262.db2.gz RJNJETGWSVVZAV-ZDUSSCGKSA-N 0 3 375.516 0.605 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC1(CO)CCCC1 ZINC000440771483 531176296 /nfs/dbraw/zinc/17/62/96/531176296.db2.gz ODYUAZFLZDKIBG-UHFFFAOYSA-N 0 3 390.527 0.605 20 0 GCADHN CO[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)[C@H](CN)C1 ZINC000440836922 531177113 /nfs/dbraw/zinc/17/71/13/531177113.db2.gz HSFVGVGZJKYAPF-STQMWFEESA-N 0 3 376.500 0.525 20 0 GCADHN CN(CCNC[C@@H](O)COC1CCOCC1)S(=O)(=O)c1cccs1 ZINC000564852968 531177155 /nfs/dbraw/zinc/17/71/55/531177155.db2.gz WBQWDVNHDCFBIQ-CYBMUJFWSA-N 0 3 378.516 0.515 20 0 GCADHN COc1ccc([C@H]2CCNC[C@H]2NS(=O)(=O)CCCS(C)(=O)=O)cc1 ZINC000440855631 531178116 /nfs/dbraw/zinc/17/81/16/531178116.db2.gz GFGSHYIHGPSQLL-HZPDHXFCSA-N 0 3 390.527 0.495 20 0 GCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000441031114 531179255 /nfs/dbraw/zinc/17/92/55/531179255.db2.gz IRQZWXWUHRDASL-MFKMUULPSA-N 0 3 399.289 0.885 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)CN1C1CC1 ZINC000440945000 531178552 /nfs/dbraw/zinc/17/85/52/531178552.db2.gz ZIJMRDIQPODTMG-CHWSQXEVSA-N 0 3 376.548 0.289 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1Br ZINC000565240283 531182606 /nfs/dbraw/zinc/18/26/06/531182606.db2.gz UMAOJXRXSNFLNW-MNOVXSKESA-N 0 3 388.287 0.690 20 0 GCADHN N[C@@H]1C[C@H]2CN(Cc3nnnn3-c3ccccc3Br)CCN2C1=O ZINC000565237483 531183053 /nfs/dbraw/zinc/18/30/53/531183053.db2.gz CNNUCDAPAAAJSX-CMPLNLGQSA-N 0 3 392.261 0.169 20 0 GCADHN Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1Br ZINC000565251633 531183242 /nfs/dbraw/zinc/18/32/42/531183242.db2.gz URDUSTGHUZPGBC-WDEREUQCSA-N 0 3 395.257 0.466 20 0 GCADHN CN(C(C)(C)CN1CCCC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000565293499 531184266 /nfs/dbraw/zinc/18/42/66/531184266.db2.gz IBCWFTDZLJQFCI-UHFFFAOYSA-N 0 3 375.516 0.829 20 0 GCADHN Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCCCN(C)S(C)(=O)=O ZINC000684550127 531185061 /nfs/dbraw/zinc/18/50/61/531185061.db2.gz PKZJNNCOQFVXIH-CYBMUJFWSA-N 0 3 377.532 0.883 20 0 GCADHN CCN1CCC(CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000565614906 531187985 /nfs/dbraw/zinc/18/79/85/531187985.db2.gz VYWBGBJKDPBNRL-UHFFFAOYSA-N 0 3 389.543 0.947 20 0 GCADHN C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000565608411 531188041 /nfs/dbraw/zinc/18/80/41/531188041.db2.gz HIAWOJAORCZPKF-LLVKDONJSA-N 0 3 399.485 0.849 20 0 GCADHN C[C@@H](NC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)NCCN(C)C ZINC000565552671 531187252 /nfs/dbraw/zinc/18/72/52/531187252.db2.gz BSNODICMFZTNPV-LLVKDONJSA-N 0 3 399.289 0.361 20 0 GCADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000684840481 531187365 /nfs/dbraw/zinc/18/73/65/531187365.db2.gz VSKRHACYMXSEGZ-HUUCEWRRSA-N 0 3 375.516 0.698 20 0 GCADHN C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000565775006 531189675 /nfs/dbraw/zinc/18/96/75/531189675.db2.gz BNCMNVCDOPDEOM-RKDXNWHRSA-N 0 3 396.922 0.038 20 0 GCADHN O=C(CCn1cnc2ccc(Br)cc2c1=O)NC[C@H]1CNCCO1 ZINC000566093055 531193854 /nfs/dbraw/zinc/19/38/54/531193854.db2.gz ISZOKMGORCSQGD-GFCCVEGCSA-N 0 3 395.257 0.654 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566198973 531195128 /nfs/dbraw/zinc/19/51/28/531195128.db2.gz KNXVYLLMHGCWIZ-QWRGUYRKSA-N 0 3 385.262 0.560 20 0 GCADHN CN(C)CCOc1cc(C(=O)N2CCO[C@H](CN3CCN(C)CC3)C2)ccn1 ZINC000359900915 212122950 /nfs/dbraw/zinc/12/29/50/212122950.db2.gz QPKDIOYAJAPKKK-GOSISDBHSA-N 0 3 391.516 0.110 20 0 GCADHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736293355 598827577 /nfs/dbraw/zinc/82/75/77/598827577.db2.gz OBQGCJIXOOEINW-IUODEOHRSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736293355 598827578 /nfs/dbraw/zinc/82/75/78/598827578.db2.gz OBQGCJIXOOEINW-IUODEOHRSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736293355 598827579 /nfs/dbraw/zinc/82/75/79/598827579.db2.gz OBQGCJIXOOEINW-IUODEOHRSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736293355 598827581 /nfs/dbraw/zinc/82/75/81/598827581.db2.gz OBQGCJIXOOEINW-IUODEOHRSA-N 0 3 393.455 0.943 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735628187 598836870 /nfs/dbraw/zinc/83/68/70/598836870.db2.gz SNUZUPIXRXHFHR-NWDGAFQWSA-N 0 3 389.464 0.704 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000735628187 598836872 /nfs/dbraw/zinc/83/68/72/598836872.db2.gz SNUZUPIXRXHFHR-NWDGAFQWSA-N 0 3 389.464 0.704 20 0 GCADHN O=C(CC1CCCCC1)NCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737818839 598837716 /nfs/dbraw/zinc/83/77/16/598837716.db2.gz FDSVBPLMXYSFGX-AWEZNQCLSA-N 0 3 387.492 0.781 20 0 GCADHN O=C(CC1CCCCC1)NCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737818839 598837717 /nfs/dbraw/zinc/83/77/17/598837717.db2.gz FDSVBPLMXYSFGX-AWEZNQCLSA-N 0 3 387.492 0.781 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000736706459 598841031 /nfs/dbraw/zinc/84/10/31/598841031.db2.gz SREOKAJSJGVHCY-ZFWWWQNUSA-N 0 3 393.455 0.731 20 0 GCADHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000737488909 598841734 /nfs/dbraw/zinc/84/17/34/598841734.db2.gz AKXWWXGJQWLFDI-ZFWWWQNUSA-N 0 3 379.428 0.477 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736762572 598854838 /nfs/dbraw/zinc/85/48/38/598854838.db2.gz JEYCFVBSJGISFE-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736762572 598854839 /nfs/dbraw/zinc/85/48/39/598854839.db2.gz JEYCFVBSJGISFE-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000736902971 598864100 /nfs/dbraw/zinc/86/41/00/598864100.db2.gz WYJCGGSTPFCGOG-MSOLQXFVSA-N 0 3 399.499 0.793 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000736902971 598864101 /nfs/dbraw/zinc/86/41/01/598864101.db2.gz WYJCGGSTPFCGOG-MSOLQXFVSA-N 0 3 399.499 0.793 20 0 GCADHN COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736905076 598872755 /nfs/dbraw/zinc/87/27/55/598872755.db2.gz AAZSAOZRYGACAZ-ZBFHGGJFSA-N 0 3 387.440 0.882 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000738038573 598879286 /nfs/dbraw/zinc/87/92/86/598879286.db2.gz KVXRFLQAJKJEET-INIZCTEOSA-N 0 3 383.456 0.683 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000738038573 598879288 /nfs/dbraw/zinc/87/92/88/598879288.db2.gz KVXRFLQAJKJEET-INIZCTEOSA-N 0 3 383.456 0.683 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCCN1CCC([N@H+](C)CCO)CC1 ZINC000737032364 598985969 /nfs/dbraw/zinc/98/59/69/598985969.db2.gz JVWIMQQWMQQPPO-UHFFFAOYSA-N 0 3 376.461 0.643 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCCN1CCC([N@@H+](C)CCO)CC1 ZINC000737032364 598985970 /nfs/dbraw/zinc/98/59/70/598985970.db2.gz JVWIMQQWMQQPPO-UHFFFAOYSA-N 0 3 376.461 0.643 20 0 GCADHN CNC(=O)c1cccc(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736883723 599010806 /nfs/dbraw/zinc/01/08/06/599010806.db2.gz XVYDYIUGFWJZOF-CYBMUJFWSA-N 0 3 381.444 0.297 20 0 GCADHN CNC(=O)c1cccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736883723 599010808 /nfs/dbraw/zinc/01/08/08/599010808.db2.gz XVYDYIUGFWJZOF-CYBMUJFWSA-N 0 3 381.444 0.297 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737161935 599010841 /nfs/dbraw/zinc/01/08/41/599010841.db2.gz ODIBKDKNBOSDBO-IJLUTSLNSA-N 0 3 380.478 0.050 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737161935 599010843 /nfs/dbraw/zinc/01/08/43/599010843.db2.gz ODIBKDKNBOSDBO-IJLUTSLNSA-N 0 3 380.478 0.050 20 0 GCADHN C[N@H+](CCCO)C1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736801739 599077316 /nfs/dbraw/zinc/07/73/16/599077316.db2.gz UPFBFVIYHYXLIM-SFHVURJKSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@@H+](CCCO)C1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736801739 599077319 /nfs/dbraw/zinc/07/73/19/599077319.db2.gz UPFBFVIYHYXLIM-SFHVURJKSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@H+](CCCO)C1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736801739 599077322 /nfs/dbraw/zinc/07/73/22/599077322.db2.gz UPFBFVIYHYXLIM-SFHVURJKSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@@H+](CCCO)C1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736801739 599077325 /nfs/dbraw/zinc/07/73/25/599077325.db2.gz UPFBFVIYHYXLIM-SFHVURJKSA-N 0 3 399.499 0.751 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC([N@H+](C)CCCO)CC1 ZINC000735561208 599078920 /nfs/dbraw/zinc/07/89/20/599078920.db2.gz JLTPTMFTUVXICG-CQSZACIVSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000735561208 599078923 /nfs/dbraw/zinc/07/89/23/599078923.db2.gz JLTPTMFTUVXICG-CQSZACIVSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC([N@H+](C)CCCO)CC1 ZINC000735561208 599078926 /nfs/dbraw/zinc/07/89/26/599078926.db2.gz JLTPTMFTUVXICG-CQSZACIVSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000735561208 599078929 /nfs/dbraw/zinc/07/89/29/599078929.db2.gz JLTPTMFTUVXICG-CQSZACIVSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000735560631 599079127 /nfs/dbraw/zinc/07/91/27/599079127.db2.gz DVUSLOGEYUKUJB-MAUKXSAKSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560631 599079129 /nfs/dbraw/zinc/07/91/29/599079129.db2.gz DVUSLOGEYUKUJB-MAUKXSAKSA-N 0 3 398.515 0.906 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736854158 599079808 /nfs/dbraw/zinc/07/98/08/599079808.db2.gz AGTOJVVCSOIEKF-SFHVURJKSA-N 0 3 398.515 0.195 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736854158 599079811 /nfs/dbraw/zinc/07/98/11/599079811.db2.gz AGTOJVVCSOIEKF-SFHVURJKSA-N 0 3 398.515 0.195 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736854157 599080318 /nfs/dbraw/zinc/08/03/18/599080318.db2.gz AGTOJVVCSOIEKF-GOSISDBHSA-N 0 3 398.515 0.195 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736854157 599080321 /nfs/dbraw/zinc/08/03/21/599080321.db2.gz AGTOJVVCSOIEKF-GOSISDBHSA-N 0 3 398.515 0.195 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000736856754 599082681 /nfs/dbraw/zinc/08/26/81/599082681.db2.gz MXJUFTSDARTGPZ-OAHLLOKOSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000736856754 599082684 /nfs/dbraw/zinc/08/26/84/599082684.db2.gz MXJUFTSDARTGPZ-OAHLLOKOSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736856754 599082687 /nfs/dbraw/zinc/08/26/87/599082687.db2.gz MXJUFTSDARTGPZ-OAHLLOKOSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736856754 599082690 /nfs/dbraw/zinc/08/26/90/599082690.db2.gz MXJUFTSDARTGPZ-OAHLLOKOSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858145 599148082 /nfs/dbraw/zinc/14/80/82/599148082.db2.gz PTOOIPWMODYYAI-QGZVFWFLSA-N 0 3 384.488 0.788 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858145 599148083 /nfs/dbraw/zinc/14/80/83/599148083.db2.gz PTOOIPWMODYYAI-QGZVFWFLSA-N 0 3 384.488 0.788 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736854655 599148118 /nfs/dbraw/zinc/14/81/18/599148118.db2.gz FANYHHHYEKMKNQ-QGZVFWFLSA-N 0 3 384.488 0.788 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736854655 599148119 /nfs/dbraw/zinc/14/81/19/599148119.db2.gz FANYHHHYEKMKNQ-QGZVFWFLSA-N 0 3 384.488 0.788 20 0 GCADHN CC[N@H+](CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)C(C)C ZINC000736538581 599283334 /nfs/dbraw/zinc/28/33/34/599283334.db2.gz ZDZXULRECCZOOF-UHFFFAOYSA-N 0 3 375.433 0.660 20 0 GCADHN CC[N@@H+](CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)C(C)C ZINC000736538581 599283336 /nfs/dbraw/zinc/28/33/36/599283336.db2.gz ZDZXULRECCZOOF-UHFFFAOYSA-N 0 3 375.433 0.660 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820722078 607333509 /nfs/dbraw/zinc/33/35/09/607333509.db2.gz FLTULDHOJNNIBN-UHFFFAOYSA-N 0 3 375.408 0.792 20 0 GCADHN C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC000821581280 607332600 /nfs/dbraw/zinc/33/26/00/607332600.db2.gz HVOQJJXBAVFHHF-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000821581280 607332601 /nfs/dbraw/zinc/33/26/01/607332601.db2.gz HVOQJJXBAVFHHF-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821109155 607335595 /nfs/dbraw/zinc/33/55/95/607335595.db2.gz AMJFAGDWLVZQEE-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821109155 607335596 /nfs/dbraw/zinc/33/55/96/607335596.db2.gz AMJFAGDWLVZQEE-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821109155 607335598 /nfs/dbraw/zinc/33/55/98/607335598.db2.gz AMJFAGDWLVZQEE-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821109155 607335600 /nfs/dbraw/zinc/33/56/00/607335600.db2.gz AMJFAGDWLVZQEE-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823319738 607341212 /nfs/dbraw/zinc/34/12/12/607341212.db2.gz YEEAQTCNCLOWLS-GFCCVEGCSA-N 0 3 387.419 0.889 20 0 GCADHN O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823319738 607341215 /nfs/dbraw/zinc/34/12/15/607341215.db2.gz YEEAQTCNCLOWLS-GFCCVEGCSA-N 0 3 387.419 0.889 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737745457 598266497 /nfs/dbraw/zinc/26/64/97/598266497.db2.gz OCLMKWNHXGJBJJ-LLVKDONJSA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737745457 598266498 /nfs/dbraw/zinc/26/64/98/598266498.db2.gz OCLMKWNHXGJBJJ-LLVKDONJSA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737745457 598266499 /nfs/dbraw/zinc/26/64/99/598266499.db2.gz OCLMKWNHXGJBJJ-LLVKDONJSA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737745457 598266500 /nfs/dbraw/zinc/26/65/00/598266500.db2.gz OCLMKWNHXGJBJJ-LLVKDONJSA-N 0 3 390.423 0.715 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000498403918 598271836 /nfs/dbraw/zinc/27/18/36/598271836.db2.gz LTMJMOFQCJSVDS-IRXDYDNUSA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000498403918 598271838 /nfs/dbraw/zinc/27/18/38/598271838.db2.gz LTMJMOFQCJSVDS-IRXDYDNUSA-N 0 3 397.483 0.816 20 0 GCADHN O[C@@H](CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)C[NH+]1CCCC1 ZINC000738380285 598274099 /nfs/dbraw/zinc/27/40/99/598274099.db2.gz FPCIOFHRAPGFGO-OAHLLOKOSA-N 0 3 375.452 0.585 20 0 GCADHN CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736530351 598330068 /nfs/dbraw/zinc/33/00/68/598330068.db2.gz IEPZJUNIFRMQCR-UHFFFAOYSA-N 0 3 389.460 0.622 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736143078 598347806 /nfs/dbraw/zinc/34/78/06/598347806.db2.gz ICPVKSUPJKXOBK-NSHDSACASA-N 0 3 379.490 0.644 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736143078 598347809 /nfs/dbraw/zinc/34/78/09/598347809.db2.gz ICPVKSUPJKXOBK-NSHDSACASA-N 0 3 379.490 0.644 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000736143078 598347811 /nfs/dbraw/zinc/34/78/11/598347811.db2.gz ICPVKSUPJKXOBK-NSHDSACASA-N 0 3 379.490 0.644 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000736143078 598347812 /nfs/dbraw/zinc/34/78/12/598347812.db2.gz ICPVKSUPJKXOBK-NSHDSACASA-N 0 3 379.490 0.644 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736705428 598349092 /nfs/dbraw/zinc/34/90/92/598349092.db2.gz JAYCWZCMSNVQKG-KGLIPLIRSA-N 0 3 384.444 0.365 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736144609 598349261 /nfs/dbraw/zinc/34/92/61/598349261.db2.gz PLBJYSAAJQSYEA-WMLDXEAASA-N 0 3 390.488 0.383 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736144609 598349263 /nfs/dbraw/zinc/34/92/63/598349263.db2.gz PLBJYSAAJQSYEA-WMLDXEAASA-N 0 3 390.488 0.383 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000736146139 598349301 /nfs/dbraw/zinc/34/93/01/598349301.db2.gz XLNFCMWQMMGFGI-UONOGXRCSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000736146139 598349303 /nfs/dbraw/zinc/34/93/03/598349303.db2.gz XLNFCMWQMMGFGI-UONOGXRCSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000736146139 598349305 /nfs/dbraw/zinc/34/93/05/598349305.db2.gz XLNFCMWQMMGFGI-UONOGXRCSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000736146139 598349310 /nfs/dbraw/zinc/34/93/10/598349310.db2.gz XLNFCMWQMMGFGI-UONOGXRCSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736146276 598365657 /nfs/dbraw/zinc/36/56/57/598365657.db2.gz ZIJIIQPHVKPIFQ-KSSFIOAISA-N 0 3 399.499 0.749 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736146276 598365659 /nfs/dbraw/zinc/36/56/59/598365659.db2.gz ZIJIIQPHVKPIFQ-KSSFIOAISA-N 0 3 399.499 0.749 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736146276 598365660 /nfs/dbraw/zinc/36/56/60/598365660.db2.gz ZIJIIQPHVKPIFQ-KSSFIOAISA-N 0 3 399.499 0.749 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736146276 598365663 /nfs/dbraw/zinc/36/56/63/598365663.db2.gz ZIJIIQPHVKPIFQ-KSSFIOAISA-N 0 3 399.499 0.749 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCCN(c2cccnn2)CC1 ZINC000738386672 598365780 /nfs/dbraw/zinc/36/57/80/598365780.db2.gz NGXGHROMLOYPNK-MRXNPFEDSA-N 0 3 396.455 0.609 20 0 GCADHN C[NH+](C)C1(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000736757759 598398131 /nfs/dbraw/zinc/39/81/31/598398131.db2.gz CJKMKTDIXCIPIA-UHFFFAOYSA-N 0 3 385.472 0.977 20 0 GCADHN C[NH+](C)C1(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000736757759 598398133 /nfs/dbraw/zinc/39/81/33/598398133.db2.gz CJKMKTDIXCIPIA-UHFFFAOYSA-N 0 3 385.472 0.977 20 0 GCADHN CCC[NH+]1CCC(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC1 ZINC000736481047 598430068 /nfs/dbraw/zinc/43/00/68/598430068.db2.gz RKYTWJNLXNTBSL-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN CCC[NH+]1CCC(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC1 ZINC000736481047 598430070 /nfs/dbraw/zinc/43/00/70/598430070.db2.gz RKYTWJNLXNTBSL-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN COCCN1CC[C@H](NC(=O)COc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000737008980 598466385 /nfs/dbraw/zinc/46/63/85/598466385.db2.gz XOZZIHXXQNFVOY-ZDUSSCGKSA-N 0 3 376.417 0.091 20 0 GCADHN CN(C)c1ncc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000736777806 598466724 /nfs/dbraw/zinc/46/67/24/598466724.db2.gz CXZAPMHCCCUQGY-UHFFFAOYSA-N 0 3 380.460 0.876 20 0 GCADHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736247454 598473534 /nfs/dbraw/zinc/47/35/34/598473534.db2.gz DHPIQPDDJKPPSV-ZIAGYGMSSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736247454 598473535 /nfs/dbraw/zinc/47/35/35/598473535.db2.gz DHPIQPDDJKPPSV-ZIAGYGMSSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736247452 598473639 /nfs/dbraw/zinc/47/36/39/598473639.db2.gz DHPIQPDDJKPPSV-KBPBESRZSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736247452 598473640 /nfs/dbraw/zinc/47/36/40/598473640.db2.gz DHPIQPDDJKPPSV-KBPBESRZSA-N 0 3 385.472 0.976 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738036963 598474254 /nfs/dbraw/zinc/47/42/54/598474254.db2.gz BHUXHWQOPCRUNO-INIZCTEOSA-N 0 3 383.456 0.683 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000738036963 598474255 /nfs/dbraw/zinc/47/42/55/598474255.db2.gz BHUXHWQOPCRUNO-INIZCTEOSA-N 0 3 383.456 0.683 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000736857586 598516180 /nfs/dbraw/zinc/51/61/80/598516180.db2.gz OWRZJSLNLNHMIR-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000736857586 598516182 /nfs/dbraw/zinc/51/61/82/598516182.db2.gz OWRZJSLNLNHMIR-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000736857586 598516184 /nfs/dbraw/zinc/51/61/84/598516184.db2.gz OWRZJSLNLNHMIR-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000736857586 598516186 /nfs/dbraw/zinc/51/61/86/598516186.db2.gz OWRZJSLNLNHMIR-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000736857580 598516433 /nfs/dbraw/zinc/51/64/33/598516433.db2.gz OSAOMUYENSITSM-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000736857580 598516436 /nfs/dbraw/zinc/51/64/36/598516436.db2.gz OSAOMUYENSITSM-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000736857580 598516437 /nfs/dbraw/zinc/51/64/37/598516437.db2.gz OSAOMUYENSITSM-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000736857580 598516439 /nfs/dbraw/zinc/51/64/39/598516439.db2.gz OSAOMUYENSITSM-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN CC(C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCOCC1 ZINC000735709673 598519450 /nfs/dbraw/zinc/51/94/50/598519450.db2.gz QUZGBVAVOOKWDL-HIFRSBDPSA-N 0 3 375.481 0.051 20 0 GCADHN CC(C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)N1CCOCC1 ZINC000735709673 598519451 /nfs/dbraw/zinc/51/94/51/598519451.db2.gz QUZGBVAVOOKWDL-HIFRSBDPSA-N 0 3 375.481 0.051 20 0 GCADHN c1cnn(-c2ncccc2C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000738445512 598522326 /nfs/dbraw/zinc/52/23/26/598522326.db2.gz HQZWNFYFLONDQL-GFCCVEGCSA-N 0 3 377.416 0.475 20 0 GCADHN c1cnn(-c2ncccc2C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000738445512 598522327 /nfs/dbraw/zinc/52/23/27/598522327.db2.gz HQZWNFYFLONDQL-GFCCVEGCSA-N 0 3 377.416 0.475 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]C1CCN(c3ccccn3)CC1)C2 ZINC000738436513 598523855 /nfs/dbraw/zinc/52/38/55/598523855.db2.gz SDNUCRGJUYVKME-ZDUSSCGKSA-N 0 3 380.460 0.759 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]C1CCN(c3ccccn3)CC1)C2 ZINC000738436513 598523856 /nfs/dbraw/zinc/52/38/56/598523856.db2.gz SDNUCRGJUYVKME-ZDUSSCGKSA-N 0 3 380.460 0.759 20 0 GCADHN C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)NCc1ccccc1 ZINC000736133251 598524543 /nfs/dbraw/zinc/52/45/43/598524543.db2.gz GRDCFTIHSVIOND-TZMCWYRMSA-N 0 3 381.444 0.399 20 0 GCADHN Cc1cccc(C(=O)NCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737383879 598525077 /nfs/dbraw/zinc/52/50/77/598525077.db2.gz FGFANKKQGURSBC-ZDUSSCGKSA-N 0 3 381.444 0.433 20 0 GCADHN Cc1cccc(C(=O)NCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737383879 598525080 /nfs/dbraw/zinc/52/50/80/598525080.db2.gz FGFANKKQGURSBC-ZDUSSCGKSA-N 0 3 381.444 0.433 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CCOc1ccc3c(c1)OCO3)C2 ZINC000738421186 598525448 /nfs/dbraw/zinc/52/54/48/598525448.db2.gz PWXCJEBJUWZIER-NSHDSACASA-N 0 3 384.400 0.502 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CCOc1ccc3c(c1)OCO3)C2 ZINC000738421186 598525450 /nfs/dbraw/zinc/52/54/50/598525450.db2.gz PWXCJEBJUWZIER-NSHDSACASA-N 0 3 384.400 0.502 20 0 GCADHN CN(C)C(=O)C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccccc1 ZINC000736745324 598526332 /nfs/dbraw/zinc/52/63/32/598526332.db2.gz GASIYCJKVOQOHN-CJNGLKHVSA-N 0 3 395.471 0.914 20 0 GCADHN CN(C)C(=O)C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccccc1 ZINC000736745324 598526334 /nfs/dbraw/zinc/52/63/34/598526334.db2.gz GASIYCJKVOQOHN-CJNGLKHVSA-N 0 3 395.471 0.914 20 0 GCADHN CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737174597 598526398 /nfs/dbraw/zinc/52/63/98/598526398.db2.gz ZUTKAGLPQLSOAP-LBPRGKRZSA-N 0 3 388.457 0.298 20 0 GCADHN CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737174597 598526399 /nfs/dbraw/zinc/52/63/99/598526399.db2.gz ZUTKAGLPQLSOAP-LBPRGKRZSA-N 0 3 388.457 0.298 20 0 GCADHN Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737400954 598526473 /nfs/dbraw/zinc/52/64/73/598526473.db2.gz HQSXSOSLRCTWNQ-ZIAGYGMSSA-N 0 3 384.444 0.443 20 0 GCADHN Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737400954 598526474 /nfs/dbraw/zinc/52/64/74/598526474.db2.gz HQSXSOSLRCTWNQ-ZIAGYGMSSA-N 0 3 384.444 0.443 20 0 GCADHN O[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)COc1ccc(F)cc1 ZINC000738384056 598526871 /nfs/dbraw/zinc/52/68/71/598526871.db2.gz ZGZDWJYWGGNLLT-YPMHNXCESA-N 0 3 388.407 0.274 20 0 GCADHN O[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)COc1ccc(F)cc1 ZINC000738384056 598526873 /nfs/dbraw/zinc/52/68/73/598526873.db2.gz ZGZDWJYWGGNLLT-YPMHNXCESA-N 0 3 388.407 0.274 20 0 GCADHN CC(C)c1nnc2n1C[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000735952646 598527474 /nfs/dbraw/zinc/52/74/74/598527474.db2.gz JQXWNWYTCZTYNU-NEPJUHHUSA-N 0 3 383.464 0.424 20 0 GCADHN CC(C)c1nnc2n1C[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000735952646 598527476 /nfs/dbraw/zinc/52/74/76/598527476.db2.gz JQXWNWYTCZTYNU-NEPJUHHUSA-N 0 3 383.464 0.424 20 0 GCADHN COc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c(OC)c1 ZINC000737090450 598528017 /nfs/dbraw/zinc/52/80/17/598528017.db2.gz OOLFTNOIFBCFTN-GFCCVEGCSA-N 0 3 384.444 0.954 20 0 GCADHN COc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c(OC)c1 ZINC000737090450 598528020 /nfs/dbraw/zinc/52/80/20/598528020.db2.gz OOLFTNOIFBCFTN-GFCCVEGCSA-N 0 3 384.444 0.954 20 0 GCADHN O=C1[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1Cc1ccccc1 ZINC000738288105 598528649 /nfs/dbraw/zinc/52/86/49/598528649.db2.gz AQPMEKNGOGVQHN-GOEBONIOSA-N 0 3 393.455 0.496 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736748929 598569868 /nfs/dbraw/zinc/56/98/68/598569868.db2.gz ZQCFEYTWPUXWEZ-FPLPWBNLSA-N 0 3 397.483 0.939 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736748929 598569870 /nfs/dbraw/zinc/56/98/70/598569870.db2.gz ZQCFEYTWPUXWEZ-FPLPWBNLSA-N 0 3 397.483 0.939 20 0 GCADHN C[NH+](C)[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000736757289 598600632 /nfs/dbraw/zinc/60/06/32/598600632.db2.gz QDDHIKRVXAXVIQ-AWEZNQCLSA-N 0 3 384.444 0.224 20 0 GCADHN CCN1CCN(CCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736570050 598699972 /nfs/dbraw/zinc/69/99/72/598699972.db2.gz VIMSJZWBCZKCFX-UHFFFAOYSA-N 0 3 375.502 0.713 20 0 GCADHN COC(=O)CNC(=O)CC[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736931651 598702009 /nfs/dbraw/zinc/70/20/09/598702009.db2.gz RWVVUGQQRJMDLJ-UHFFFAOYSA-N 0 3 388.428 0.389 20 0 GCADHN COC(=O)CNC(=O)CC[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736931651 598702010 /nfs/dbraw/zinc/70/20/10/598702010.db2.gz RWVVUGQQRJMDLJ-UHFFFAOYSA-N 0 3 388.428 0.389 20 0 GCADHN Cc1nnc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737523410 598702335 /nfs/dbraw/zinc/70/23/35/598702335.db2.gz XHXYKWNJNRUAKY-HNNXBMFYSA-N 0 3 387.492 0.482 20 0 GCADHN Cc1nnc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737523410 598702336 /nfs/dbraw/zinc/70/23/36/598702336.db2.gz XHXYKWNJNRUAKY-HNNXBMFYSA-N 0 3 387.492 0.482 20 0 GCADHN O=C(CC[NH+]1CCC(C(=O)NCCO)CC1)Nc1ccccc1-c1nnn[n-]1 ZINC000737839923 598761432 /nfs/dbraw/zinc/76/14/32/598761432.db2.gz WXJYWXLQNRDHDV-UHFFFAOYSA-N 0 3 387.444 0.016 20 0 GCADHN O=C(CC[NH+]1CCC(C(=O)NCCO)CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000737839923 598761434 /nfs/dbraw/zinc/76/14/34/598761434.db2.gz WXJYWXLQNRDHDV-UHFFFAOYSA-N 0 3 387.444 0.016 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](CCOc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C)CC1 ZINC000735465214 599297807 /nfs/dbraw/zinc/29/78/07/599297807.db2.gz HDKFDGKTCWCOJL-KXBFYZLASA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](CCOc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C)CC1 ZINC000735465214 599297808 /nfs/dbraw/zinc/29/78/08/599297808.db2.gz HDKFDGKTCWCOJL-KXBFYZLASA-N 0 3 399.499 0.730 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[C@H]1[NH+](C)C ZINC000736290406 599297825 /nfs/dbraw/zinc/29/78/25/599297825.db2.gz IZIVCKKBNMUKQM-XHDPSFHLSA-N 0 3 381.444 0.657 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C[C@H]1[NH+](C)C ZINC000736290406 599297826 /nfs/dbraw/zinc/29/78/26/599297826.db2.gz IZIVCKKBNMUKQM-XHDPSFHLSA-N 0 3 381.444 0.657 20 0 GCADHN NC(=O)c1cc([C@@H]2CCC[N@H+](CCOc3ccccc3-c3nnn[n-]3)C2)n[nH]1 ZINC000737756574 599316697 /nfs/dbraw/zinc/31/66/97/599316697.db2.gz XECLMNGECROHKW-GFCCVEGCSA-N 0 3 382.428 0.947 20 0 GCADHN NC(=O)c1cc([C@@H]2CCC[N@@H+](CCOc3ccccc3-c3nnn[n-]3)C2)n[nH]1 ZINC000737756574 599316702 /nfs/dbraw/zinc/31/67/02/599316702.db2.gz XECLMNGECROHKW-GFCCVEGCSA-N 0 3 382.428 0.947 20 0 GCADHN CN1CCO[C@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736868978 599318591 /nfs/dbraw/zinc/31/85/91/599318591.db2.gz XUKTXUGQYAEMCA-KRWDZBQOSA-N 0 3 385.472 0.232 20 0 GCADHN CC[NH+](CC)[C@H]1CCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736535226 599332714 /nfs/dbraw/zinc/33/27/14/599332714.db2.gz VJUKVNCXXSTBLF-HOTGVXAUSA-N 0 3 383.456 0.915 20 0 GCADHN CC[NH+](CC)[C@H]1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736535226 599332717 /nfs/dbraw/zinc/33/27/17/599332717.db2.gz VJUKVNCXXSTBLF-HOTGVXAUSA-N 0 3 383.456 0.915 20 0 GCADHN O=C(COc1ccc(-c2nn[n-]n2)cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000737919570 599391439 /nfs/dbraw/zinc/39/14/39/599391439.db2.gz NYQIBIADBYLTMZ-AWEZNQCLSA-N 0 3 386.456 0.863 20 0 GCADHN COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821691364 599444146 /nfs/dbraw/zinc/44/41/46/599444146.db2.gz ROVOJUOLXNGHEB-HNNXBMFYSA-N 0 3 389.460 0.656 20 0 GCADHN COCC[N@H+]1CCC[C@H]1CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821691364 599444147 /nfs/dbraw/zinc/44/41/47/599444147.db2.gz ROVOJUOLXNGHEB-HNNXBMFYSA-N 0 3 389.460 0.656 20 0 GCADHN CC(C)(C)[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000819923258 599502847 /nfs/dbraw/zinc/50/28/47/599502847.db2.gz XAPONEGUFUFQIB-UHFFFAOYSA-N 0 3 379.490 0.825 20 0 GCADHN CC(C)(C)[N@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000819923258 599502850 /nfs/dbraw/zinc/50/28/50/599502850.db2.gz XAPONEGUFUFQIB-UHFFFAOYSA-N 0 3 379.490 0.825 20 0 GCADHN CC(C)(C)[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000819923258 599502853 /nfs/dbraw/zinc/50/28/53/599502853.db2.gz XAPONEGUFUFQIB-UHFFFAOYSA-N 0 3 379.490 0.825 20 0 GCADHN CC(C)(C)[N@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000819923258 599502856 /nfs/dbraw/zinc/50/28/56/599502856.db2.gz XAPONEGUFUFQIB-UHFFFAOYSA-N 0 3 379.490 0.825 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000737057875 599512051 /nfs/dbraw/zinc/51/20/51/599512051.db2.gz JXFQEKNMALGOMD-UHFFFAOYSA-N 0 3 387.444 0.662 20 0 GCADHN NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822895155 599545646 /nfs/dbraw/zinc/54/56/46/599545646.db2.gz LTEXUFLEQIXMOI-GFCCVEGCSA-N 0 3 377.474 0.579 20 0 GCADHN NS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822895155 599545647 /nfs/dbraw/zinc/54/56/47/599545647.db2.gz LTEXUFLEQIXMOI-GFCCVEGCSA-N 0 3 377.474 0.579 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C1 ZINC000736759471 599581324 /nfs/dbraw/zinc/58/13/24/599581324.db2.gz RVDDIUCPBWLHPZ-DJJJIMSYSA-N 0 3 398.471 0.475 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736759471 599581326 /nfs/dbraw/zinc/58/13/26/599581326.db2.gz RVDDIUCPBWLHPZ-DJJJIMSYSA-N 0 3 398.471 0.475 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000823696280 599585824 /nfs/dbraw/zinc/58/58/24/599585824.db2.gz CDBOFTWYFVCLPH-DLBZAZTESA-N 0 3 388.472 0.403 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000823696280 599585827 /nfs/dbraw/zinc/58/58/27/599585827.db2.gz CDBOFTWYFVCLPH-DLBZAZTESA-N 0 3 388.472 0.403 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[NH+](C)C ZINC000820259934 599598796 /nfs/dbraw/zinc/59/87/96/599598796.db2.gz DFNOMZCAXUYFQO-QMMMGPOBSA-N 0 3 385.350 0.890 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[NH+](C)C ZINC000820259934 599598798 /nfs/dbraw/zinc/59/87/98/599598798.db2.gz DFNOMZCAXUYFQO-QMMMGPOBSA-N 0 3 385.350 0.890 20 0 GCADHN CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821161064 599617651 /nfs/dbraw/zinc/61/76/51/599617651.db2.gz UJOJPIYJGABMSH-LBPRGKRZSA-N 0 3 387.444 0.614 20 0 GCADHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821161064 599617653 /nfs/dbraw/zinc/61/76/53/599617653.db2.gz UJOJPIYJGABMSH-LBPRGKRZSA-N 0 3 387.444 0.614 20 0 GCADHN CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821161064 599617655 /nfs/dbraw/zinc/61/76/55/599617655.db2.gz UJOJPIYJGABMSH-LBPRGKRZSA-N 0 3 387.444 0.614 20 0 GCADHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821161064 599617657 /nfs/dbraw/zinc/61/76/57/599617657.db2.gz UJOJPIYJGABMSH-LBPRGKRZSA-N 0 3 387.444 0.614 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000821627134 599667002 /nfs/dbraw/zinc/66/70/02/599667002.db2.gz ORYAGGWTWPHZKK-UHFFFAOYSA-N 0 3 390.467 0.831 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821266421 599675890 /nfs/dbraw/zinc/67/58/90/599675890.db2.gz CIRRQLMTCMPHJJ-AWEZNQCLSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821266421 599675891 /nfs/dbraw/zinc/67/58/91/599675891.db2.gz CIRRQLMTCMPHJJ-AWEZNQCLSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821266421 599675892 /nfs/dbraw/zinc/67/58/92/599675892.db2.gz CIRRQLMTCMPHJJ-AWEZNQCLSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821266421 599675893 /nfs/dbraw/zinc/67/58/93/599675893.db2.gz CIRRQLMTCMPHJJ-AWEZNQCLSA-N 0 3 385.476 0.578 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC[N@@H+]1C ZINC000820659491 599676198 /nfs/dbraw/zinc/67/61/98/599676198.db2.gz YDFGMLQPJRBFPF-KGLIPLIRSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC[N@H+]1C ZINC000820659491 599676199 /nfs/dbraw/zinc/67/61/99/599676199.db2.gz YDFGMLQPJRBFPF-KGLIPLIRSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC[N@@H+]1C ZINC000820659491 599676200 /nfs/dbraw/zinc/67/62/00/599676200.db2.gz YDFGMLQPJRBFPF-KGLIPLIRSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC[N@H+]1C ZINC000820659491 599676201 /nfs/dbraw/zinc/67/62/01/599676201.db2.gz YDFGMLQPJRBFPF-KGLIPLIRSA-N 0 3 385.476 0.576 20 0 GCADHN COc1ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1-c1nnn[n-]1 ZINC000826193462 607484723 /nfs/dbraw/zinc/48/47/23/607484723.db2.gz DUUIHDHXRULUIZ-UHFFFAOYSA-N 0 3 386.456 0.946 20 0 GCADHN CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000825870563 607515812 /nfs/dbraw/zinc/51/58/12/607515812.db2.gz RRHHNEKGZZJXBZ-UHFFFAOYSA-N 0 3 397.443 0.222 20 0 GCADHN COC(=O)[C@H](O)C1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826111429 607525625 /nfs/dbraw/zinc/52/56/25/607525625.db2.gz FFCJXJIWZRXZDU-MRXNPFEDSA-N 0 3 375.429 0.882 20 0 GCADHN COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000826111771 607525804 /nfs/dbraw/zinc/52/58/04/607525804.db2.gz LVGSJHJSMRIVFE-ZDUSSCGKSA-N 0 3 394.457 0.503 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000824427749 607538770 /nfs/dbraw/zinc/53/87/70/607538770.db2.gz OCWQXANAEIYHNP-NEPJUHHUSA-N 0 3 391.480 0.855 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000824427749 607538771 /nfs/dbraw/zinc/53/87/71/607538771.db2.gz OCWQXANAEIYHNP-NEPJUHHUSA-N 0 3 391.480 0.855 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000824427752 607538865 /nfs/dbraw/zinc/53/88/65/607538865.db2.gz OCWQXANAEIYHNP-VXGBXAGGSA-N 0 3 391.480 0.855 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000824427752 607538866 /nfs/dbraw/zinc/53/88/66/607538866.db2.gz OCWQXANAEIYHNP-VXGBXAGGSA-N 0 3 391.480 0.855 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825856168 607556312 /nfs/dbraw/zinc/55/63/12/607556312.db2.gz QDXPNNSMMCQBQY-BPLDGKMQSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825856168 607556314 /nfs/dbraw/zinc/55/63/14/607556314.db2.gz QDXPNNSMMCQBQY-BPLDGKMQSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825849798 607615104 /nfs/dbraw/zinc/61/51/04/607615104.db2.gz MSSIAYYDCJPXPT-UNEWFSDZSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825849798 607615105 /nfs/dbraw/zinc/61/51/05/607615105.db2.gz MSSIAYYDCJPXPT-UNEWFSDZSA-N 0 3 386.456 0.956 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000824705784 607631873 /nfs/dbraw/zinc/63/18/73/607631873.db2.gz DUPJHZGKDRVXNL-ZDUSSCGKSA-N 0 3 394.501 0.580 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000825848413 607633628 /nfs/dbraw/zinc/63/36/28/607633628.db2.gz COBRPFCOCLACOL-BRWVUGGUSA-N 0 3 385.472 0.989 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825923753 607637470 /nfs/dbraw/zinc/63/74/70/607637470.db2.gz UJOWTLQRHNJBTD-UHFFFAOYSA-N 0 3 394.501 0.475 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825923753 607637473 /nfs/dbraw/zinc/63/74/73/607637473.db2.gz UJOWTLQRHNJBTD-UHFFFAOYSA-N 0 3 394.501 0.475 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825923753 607637475 /nfs/dbraw/zinc/63/74/75/607637475.db2.gz UJOWTLQRHNJBTD-UHFFFAOYSA-N 0 3 394.501 0.475 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825923753 607637477 /nfs/dbraw/zinc/63/74/77/607637477.db2.gz UJOWTLQRHNJBTD-UHFFFAOYSA-N 0 3 394.501 0.475 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000826279465 607637622 /nfs/dbraw/zinc/63/76/22/607637622.db2.gz QTXFLYGMJRQETN-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000826279465 607637624 /nfs/dbraw/zinc/63/76/24/607637624.db2.gz QTXFLYGMJRQETN-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000826279465 607637626 /nfs/dbraw/zinc/63/76/26/607637626.db2.gz QTXFLYGMJRQETN-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000826279465 607637627 /nfs/dbraw/zinc/63/76/27/607637627.db2.gz QTXFLYGMJRQETN-UHFFFAOYSA-N 0 3 394.501 0.642 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825923824 607637787 /nfs/dbraw/zinc/63/77/87/607637787.db2.gz XQMHHDMXCSKXSJ-UHFFFAOYSA-N 0 3 398.464 0.473 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825923824 607637789 /nfs/dbraw/zinc/63/77/89/607637789.db2.gz XQMHHDMXCSKXSJ-UHFFFAOYSA-N 0 3 398.464 0.473 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825923824 607637791 /nfs/dbraw/zinc/63/77/91/607637791.db2.gz XQMHHDMXCSKXSJ-UHFFFAOYSA-N 0 3 398.464 0.473 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825923824 607637793 /nfs/dbraw/zinc/63/77/93/607637793.db2.gz XQMHHDMXCSKXSJ-UHFFFAOYSA-N 0 3 398.464 0.473 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825923573 607637939 /nfs/dbraw/zinc/63/79/39/607637939.db2.gz MLMAKNOCRZADAX-UHFFFAOYSA-N 0 3 398.464 0.473 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825923573 607637940 /nfs/dbraw/zinc/63/79/40/607637940.db2.gz MLMAKNOCRZADAX-UHFFFAOYSA-N 0 3 398.464 0.473 20 0 GCADHN C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821596871 606055002 /nfs/dbraw/zinc/05/50/02/606055002.db2.gz XFWMJPYIRDTNJL-HNNXBMFYSA-N 0 3 397.483 0.787 20 0 GCADHN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821596871 606055008 /nfs/dbraw/zinc/05/50/08/606055008.db2.gz XFWMJPYIRDTNJL-HNNXBMFYSA-N 0 3 397.483 0.787 20 0 GCADHN C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821596871 606055012 /nfs/dbraw/zinc/05/50/12/606055012.db2.gz XFWMJPYIRDTNJL-HNNXBMFYSA-N 0 3 397.483 0.787 20 0 GCADHN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821596871 606055018 /nfs/dbraw/zinc/05/50/18/606055018.db2.gz XFWMJPYIRDTNJL-HNNXBMFYSA-N 0 3 397.483 0.787 20 0 GCADHN C[C@@]1(C2CC[NH+](Cc3cn4ccccc4c3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613250 606096506 /nfs/dbraw/zinc/09/65/06/606096506.db2.gz XSLUPZVQKBSSME-IBGZPJMESA-N 0 3 394.439 0.930 20 0 GCADHN C[C@@]1(C2CC[NH+](Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820613250 606096509 /nfs/dbraw/zinc/09/65/09/606096509.db2.gz XSLUPZVQKBSSME-IBGZPJMESA-N 0 3 394.439 0.930 20 0 GCADHN CCC[N@H+](CC)CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821094114 606118117 /nfs/dbraw/zinc/11/81/17/606118117.db2.gz DHONRAGXZIMIFJ-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCC[N@@H+](CC)CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821094114 606118118 /nfs/dbraw/zinc/11/81/18/606118118.db2.gz DHONRAGXZIMIFJ-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCC[N@H+](CC)CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821094114 606118119 /nfs/dbraw/zinc/11/81/19/606118119.db2.gz DHONRAGXZIMIFJ-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCC[N@@H+](CC)CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821094114 606118121 /nfs/dbraw/zinc/11/81/21/606118121.db2.gz DHONRAGXZIMIFJ-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCC[N@H+](CC)CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000821094485 606118409 /nfs/dbraw/zinc/11/84/09/606118409.db2.gz KMNJLZUYOHBDBH-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCC[N@@H+](CC)CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000821094485 606118412 /nfs/dbraw/zinc/11/84/12/606118412.db2.gz KMNJLZUYOHBDBH-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCC[N@H+](CC)CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000821094485 606118413 /nfs/dbraw/zinc/11/84/13/606118413.db2.gz KMNJLZUYOHBDBH-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN CCC[N@@H+](CC)CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000821094485 606118415 /nfs/dbraw/zinc/11/84/15/606118415.db2.gz KMNJLZUYOHBDBH-UHFFFAOYSA-N 0 3 387.492 0.825 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000821587018 606224303 /nfs/dbraw/zinc/22/43/03/606224303.db2.gz CEMNFTCWVRMUIJ-UHFFFAOYSA-N 0 3 382.428 0.749 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000821587018 606224304 /nfs/dbraw/zinc/22/43/04/606224304.db2.gz CEMNFTCWVRMUIJ-UHFFFAOYSA-N 0 3 382.428 0.749 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1-c1nnn[n-]1 ZINC000821808421 606225137 /nfs/dbraw/zinc/22/51/37/606225137.db2.gz GKWJBACLUMMQTO-SGTLLEGYSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1-c1nn[n-]n1 ZINC000821808421 606225140 /nfs/dbraw/zinc/22/51/40/606225140.db2.gz GKWJBACLUMMQTO-SGTLLEGYSA-N 0 3 385.428 0.685 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000823689739 606310203 /nfs/dbraw/zinc/31/02/03/606310203.db2.gz IXZMSFFRKQLLJE-YJBOKZPZSA-N 0 3 389.456 0.876 20 0 GCADHN C[NH+](C)C[C@@H]1CN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CCO1 ZINC000821584742 606320368 /nfs/dbraw/zinc/32/03/68/606320368.db2.gz QRUFGUAVPCDUHH-YPMHNXCESA-N 0 3 377.474 0.296 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000821651492 606320990 /nfs/dbraw/zinc/32/09/90/606320990.db2.gz AFMNJYGSZFXKQK-DYVFJYSZSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000821651492 606320992 /nfs/dbraw/zinc/32/09/92/606320992.db2.gz AFMNJYGSZFXKQK-DYVFJYSZSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000821651492 606320993 /nfs/dbraw/zinc/32/09/93/606320993.db2.gz AFMNJYGSZFXKQK-DYVFJYSZSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000821651492 606320996 /nfs/dbraw/zinc/32/09/96/606320996.db2.gz AFMNJYGSZFXKQK-DYVFJYSZSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCN(C2CCOCC2)CC1 ZINC000821652499 606332825 /nfs/dbraw/zinc/33/28/25/606332825.db2.gz UHYJLHOUYBOQPV-KRWDZBQOSA-N 0 3 386.456 0.877 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CCN(C2CCOCC2)CC1 ZINC000821652500 606332946 /nfs/dbraw/zinc/33/29/46/606332946.db2.gz UHYJLHOUYBOQPV-QGZVFWFLSA-N 0 3 386.456 0.877 20 0 GCADHN C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCSC1 ZINC000821581093 606385984 /nfs/dbraw/zinc/38/59/84/606385984.db2.gz CFPNASJHWWMSIM-INIZCTEOSA-N 0 3 393.448 0.498 20 0 GCADHN O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823191876 606395929 /nfs/dbraw/zinc/39/59/29/606395929.db2.gz QYENXGNWKFPIDT-UHFFFAOYSA-N 0 3 375.408 0.937 20 0 GCADHN O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823191876 606395931 /nfs/dbraw/zinc/39/59/31/606395931.db2.gz QYENXGNWKFPIDT-UHFFFAOYSA-N 0 3 375.408 0.937 20 0 GCADHN C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCSC1 ZINC000821580988 606404244 /nfs/dbraw/zinc/40/42/44/606404244.db2.gz ANOXAASPRUPAOA-INIZCTEOSA-N 0 3 393.448 0.498 20 0 GCADHN C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821584744 606491782 /nfs/dbraw/zinc/49/17/82/606491782.db2.gz QTTQUSJIPSYGSM-UHFFFAOYSA-N 0 3 394.501 0.988 20 0 GCADHN C[NH+](C)CCCOC1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821584744 606491783 /nfs/dbraw/zinc/49/17/83/606491783.db2.gz QTTQUSJIPSYGSM-UHFFFAOYSA-N 0 3 394.501 0.988 20 0 GCADHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822997802 606619225 /nfs/dbraw/zinc/61/92/25/606619225.db2.gz VHHYOJVLILJUQT-MRXNPFEDSA-N 0 3 385.472 0.137 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[N@@H+]1C1CC1 ZINC000820658550 606624688 /nfs/dbraw/zinc/62/46/88/606624688.db2.gz TWODGSBZFIAKKU-DGCLKSJQSA-N 0 3 393.455 0.990 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[N@H+]1C1CC1 ZINC000820658550 606624690 /nfs/dbraw/zinc/62/46/90/606624690.db2.gz TWODGSBZFIAKKU-DGCLKSJQSA-N 0 3 393.455 0.990 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821352141 606634455 /nfs/dbraw/zinc/63/44/55/606634455.db2.gz XTFHLTPZSUAKFR-OAHLLOKOSA-N 0 3 382.490 0.643 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000821755985 606636062 /nfs/dbraw/zinc/63/60/62/606636062.db2.gz LDJMKNTWUNHXFG-PWSUYJOCSA-N 0 3 385.428 0.555 20 0 GCADHN CC[N@H+]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[C@@H](C)C1 ZINC000821239765 606679224 /nfs/dbraw/zinc/67/92/24/606679224.db2.gz CRVVVEPOFUOHAO-ZFWWWQNUSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[C@@H](C)C1 ZINC000821239765 606679225 /nfs/dbraw/zinc/67/92/25/606679225.db2.gz CRVVVEPOFUOHAO-ZFWWWQNUSA-N 0 3 385.476 0.434 20 0 GCADHN C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820716567 606699939 /nfs/dbraw/zinc/69/99/39/606699939.db2.gz JRPJHQVWFNGJQG-LBPRGKRZSA-N 0 3 375.481 0.683 20 0 GCADHN C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820716567 606699940 /nfs/dbraw/zinc/69/99/40/606699940.db2.gz JRPJHQVWFNGJQG-LBPRGKRZSA-N 0 3 375.481 0.683 20 0 GCADHN C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819856701 606701528 /nfs/dbraw/zinc/70/15/28/606701528.db2.gz LAAVVZDVPBHNOL-LBPRGKRZSA-N 0 3 375.481 0.828 20 0 GCADHN C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819856701 606701530 /nfs/dbraw/zinc/70/15/30/606701530.db2.gz LAAVVZDVPBHNOL-LBPRGKRZSA-N 0 3 375.481 0.828 20 0 GCADHN C[C@@H](C(=O)NCc1cccs1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819866359 606701627 /nfs/dbraw/zinc/70/16/27/606701627.db2.gz LWCAAUBYZVTSLC-JTQLQIEISA-N 0 3 389.489 0.803 20 0 GCADHN C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819866359 606701628 /nfs/dbraw/zinc/70/16/28/606701628.db2.gz LWCAAUBYZVTSLC-JTQLQIEISA-N 0 3 389.489 0.803 20 0 GCADHN C[C@H](C(=O)NCc1cccs1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819866360 606701886 /nfs/dbraw/zinc/70/18/86/606701886.db2.gz LWCAAUBYZVTSLC-SNVBAGLBSA-N 0 3 389.489 0.803 20 0 GCADHN C[C@H](C(=O)NCc1cccs1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819866360 606701891 /nfs/dbraw/zinc/70/18/91/606701891.db2.gz LWCAAUBYZVTSLC-SNVBAGLBSA-N 0 3 389.489 0.803 20 0 GCADHN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820649895 606701987 /nfs/dbraw/zinc/70/19/87/606701987.db2.gz PCHFHYFVKYVNGZ-JHJVBQTASA-N 0 3 389.508 0.929 20 0 GCADHN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820649895 606701989 /nfs/dbraw/zinc/70/19/89/606701989.db2.gz PCHFHYFVKYVNGZ-JHJVBQTASA-N 0 3 389.508 0.929 20 0 GCADHN C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821602515 606763609 /nfs/dbraw/zinc/76/36/09/606763609.db2.gz GSNNRPGOYGQQLF-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821602515 606763610 /nfs/dbraw/zinc/76/36/10/606763610.db2.gz GSNNRPGOYGQQLF-UHFFFAOYSA-N 0 3 384.437 0.083 20 0 GCADHN C[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C[C@@H]1[NH+](C)C ZINC000820760048 606768913 /nfs/dbraw/zinc/76/89/13/606768913.db2.gz PERDGTSRHLKGHF-BBRMVZONSA-N 0 3 398.471 0.470 20 0 GCADHN C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C[C@H]1[NH+](C)C ZINC000820760950 606769066 /nfs/dbraw/zinc/76/90/66/606769066.db2.gz UNDIKDZNCNEXST-PEELUZDISA-N 0 3 398.471 0.473 20 0 GCADHN C[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C[C@H]1[NH+](C)C ZINC000820760058 606769164 /nfs/dbraw/zinc/76/91/64/606769164.db2.gz PERDGTSRHLKGHF-XJKSGUPXSA-N 0 3 398.471 0.470 20 0 GCADHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820093052 606788788 /nfs/dbraw/zinc/78/87/88/606788788.db2.gz SFLBQOYVSZJJRA-AWEZNQCLSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000820093052 606788790 /nfs/dbraw/zinc/78/87/90/606788790.db2.gz SFLBQOYVSZJJRA-AWEZNQCLSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820093052 606788792 /nfs/dbraw/zinc/78/87/92/606788792.db2.gz SFLBQOYVSZJJRA-AWEZNQCLSA-N 0 3 387.492 0.951 20 0 GCADHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000820093052 606788794 /nfs/dbraw/zinc/78/87/94/606788794.db2.gz SFLBQOYVSZJJRA-AWEZNQCLSA-N 0 3 387.492 0.951 20 0 GCADHN O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000822918051 606798344 /nfs/dbraw/zinc/79/83/44/606798344.db2.gz YKPIJWFNHOZCQW-OCCSQVGLSA-N 0 3 385.476 0.486 20 0 GCADHN O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000822918051 606798345 /nfs/dbraw/zinc/79/83/45/606798345.db2.gz YKPIJWFNHOZCQW-OCCSQVGLSA-N 0 3 385.476 0.486 20 0 GCADHN O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000822918050 606798558 /nfs/dbraw/zinc/79/85/58/606798558.db2.gz YKPIJWFNHOZCQW-JSGCOSHPSA-N 0 3 385.476 0.486 20 0 GCADHN O=C(C1CCCC1)N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000822918050 606798560 /nfs/dbraw/zinc/79/85/60/606798560.db2.gz YKPIJWFNHOZCQW-JSGCOSHPSA-N 0 3 385.476 0.486 20 0 GCADHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000820752916 606810483 /nfs/dbraw/zinc/81/04/83/606810483.db2.gz UCYJZMPFXYFCPZ-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000820752916 606810484 /nfs/dbraw/zinc/81/04/84/606810484.db2.gz UCYJZMPFXYFCPZ-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000820752916 606810485 /nfs/dbraw/zinc/81/04/85/606810485.db2.gz UCYJZMPFXYFCPZ-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000820752916 606810486 /nfs/dbraw/zinc/81/04/86/606810486.db2.gz UCYJZMPFXYFCPZ-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000820752971 606810498 /nfs/dbraw/zinc/81/04/98/606810498.db2.gz VCAPCJRNKYBQOM-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000820752971 606810499 /nfs/dbraw/zinc/81/04/99/606810499.db2.gz VCAPCJRNKYBQOM-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000820752971 606810500 /nfs/dbraw/zinc/81/05/00/606810500.db2.gz VCAPCJRNKYBQOM-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000820752971 606810501 /nfs/dbraw/zinc/81/05/01/606810501.db2.gz VCAPCJRNKYBQOM-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000820420695 606843674 /nfs/dbraw/zinc/84/36/74/606843674.db2.gz VSDKSPFVOWYPLZ-BDJLRTHQSA-N 0 3 388.453 0.898 20 0 GCADHN COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696780 606862889 /nfs/dbraw/zinc/86/28/89/606862889.db2.gz PRVGQRCSGJMYGC-NEPJUHHUSA-N 0 3 397.443 0.536 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821691538 606888027 /nfs/dbraw/zinc/88/80/27/606888027.db2.gz YAYVKKXUZXRMOL-XKQJLSEDSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821691538 606888028 /nfs/dbraw/zinc/88/80/28/606888028.db2.gz YAYVKKXUZXRMOL-XKQJLSEDSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691538 606888029 /nfs/dbraw/zinc/88/80/29/606888029.db2.gz YAYVKKXUZXRMOL-XKQJLSEDSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691538 606888030 /nfs/dbraw/zinc/88/80/30/606888030.db2.gz YAYVKKXUZXRMOL-XKQJLSEDSA-N 0 3 388.472 0.763 20 0 GCADHN C[N@H+](C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821595382 606910977 /nfs/dbraw/zinc/91/09/77/606910977.db2.gz VXHLWXBXIXOUCV-HNNXBMFYSA-N 0 3 380.474 0.256 20 0 GCADHN C[N@@H+](C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821595382 606910979 /nfs/dbraw/zinc/91/09/79/606910979.db2.gz VXHLWXBXIXOUCV-HNNXBMFYSA-N 0 3 380.474 0.256 20 0 GCADHN C[N@H+](C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821595382 606910981 /nfs/dbraw/zinc/91/09/81/606910981.db2.gz VXHLWXBXIXOUCV-HNNXBMFYSA-N 0 3 380.474 0.256 20 0 GCADHN C[N@@H+](C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821595382 606910985 /nfs/dbraw/zinc/91/09/85/606910985.db2.gz VXHLWXBXIXOUCV-HNNXBMFYSA-N 0 3 380.474 0.256 20 0 GCADHN CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)c(C)c3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000819797029 607027140 /nfs/dbraw/zinc/02/71/40/607027140.db2.gz ROXGRUSDBMZCSA-WBMJQRKESA-N 0 3 399.503 0.652 20 0 GCADHN CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)c(C)c3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000819797029 607027142 /nfs/dbraw/zinc/02/71/42/607027142.db2.gz ROXGRUSDBMZCSA-WBMJQRKESA-N 0 3 399.503 0.652 20 0 GCADHN CN1CCN(C[C@@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)CCO2)CC1 ZINC000821627407 607063739 /nfs/dbraw/zinc/06/37/39/607063739.db2.gz ZVTUTYPUKWBRBA-MRXNPFEDSA-N 0 3 375.452 0.454 20 0 GCADHN C[N@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821600690 607091791 /nfs/dbraw/zinc/09/17/91/607091791.db2.gz YUYPPAYQYKWLMQ-UHFFFAOYSA-N 0 3 394.501 0.991 20 0 GCADHN C[N@@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821600690 607091792 /nfs/dbraw/zinc/09/17/92/607091792.db2.gz YUYPPAYQYKWLMQ-UHFFFAOYSA-N 0 3 394.501 0.991 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC[C@H]21 ZINC000821625150 607094679 /nfs/dbraw/zinc/09/46/79/607094679.db2.gz GQCFVBAZHNVDCC-IAQYHMDHSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC[C@H]21 ZINC000821625150 607094680 /nfs/dbraw/zinc/09/46/80/607094680.db2.gz GQCFVBAZHNVDCC-IAQYHMDHSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC[C@H]21 ZINC000821625150 607094681 /nfs/dbraw/zinc/09/46/81/607094681.db2.gz GQCFVBAZHNVDCC-IAQYHMDHSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC[C@H]21 ZINC000821625150 607094682 /nfs/dbraw/zinc/09/46/82/607094682.db2.gz GQCFVBAZHNVDCC-IAQYHMDHSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC[C@H]21 ZINC000821625152 607094708 /nfs/dbraw/zinc/09/47/08/607094708.db2.gz GQCFVBAZHNVDCC-XHDPSFHLSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC[C@H]21 ZINC000821625152 607094709 /nfs/dbraw/zinc/09/47/09/607094709.db2.gz GQCFVBAZHNVDCC-XHDPSFHLSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC[C@H]21 ZINC000821625152 607094710 /nfs/dbraw/zinc/09/47/10/607094710.db2.gz GQCFVBAZHNVDCC-XHDPSFHLSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC[C@H]21 ZINC000821625152 607094711 /nfs/dbraw/zinc/09/47/11/607094711.db2.gz GQCFVBAZHNVDCC-XHDPSFHLSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC000821625976 607101287 /nfs/dbraw/zinc/10/12/87/607101287.db2.gz ZNPMSLOYXKBHMC-HUUCEWRRSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC000821625976 607101289 /nfs/dbraw/zinc/10/12/89/607101289.db2.gz ZNPMSLOYXKBHMC-HUUCEWRRSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC000821625976 607101291 /nfs/dbraw/zinc/10/12/91/607101291.db2.gz ZNPMSLOYXKBHMC-HUUCEWRRSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC000821625976 607101293 /nfs/dbraw/zinc/10/12/93/607101293.db2.gz ZNPMSLOYXKBHMC-HUUCEWRRSA-N 0 3 385.476 0.799 20 0 GCADHN C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000821622303 607182290 /nfs/dbraw/zinc/18/22/90/607182290.db2.gz YPXNTWPZORGRMX-UHFFFAOYSA-N 0 3 377.836 0.917 20 0 GCADHN C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821622303 607182291 /nfs/dbraw/zinc/18/22/91/607182291.db2.gz YPXNTWPZORGRMX-UHFFFAOYSA-N 0 3 377.836 0.917 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@@H]1CCO[C@]3(CCSC3)C1)C2 ZINC000823821699 607230078 /nfs/dbraw/zinc/23/00/78/607230078.db2.gz XWXQHVIMYBQBCE-HWWQOWPSSA-N 0 3 376.490 0.749 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@@H]1CCO[C@]3(CCSC3)C1)C2 ZINC000823821699 607230079 /nfs/dbraw/zinc/23/00/79/607230079.db2.gz XWXQHVIMYBQBCE-HWWQOWPSSA-N 0 3 376.490 0.749 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@H]1CCO[C@@]3(CCSC3)C1)C2 ZINC000823821700 607230217 /nfs/dbraw/zinc/23/02/17/607230217.db2.gz XWXQHVIMYBQBCE-MKBNYLNASA-N 0 3 376.490 0.749 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@H]1CCO[C@@]3(CCSC3)C1)C2 ZINC000823821700 607230218 /nfs/dbraw/zinc/23/02/18/607230218.db2.gz XWXQHVIMYBQBCE-MKBNYLNASA-N 0 3 376.490 0.749 20 0 GCADHN C[NH+](C)C[C@](C)(O)CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825854865 607777038 /nfs/dbraw/zinc/77/70/38/607777038.db2.gz CSCIHMUPRPFEPA-GOSISDBHSA-N 0 3 376.461 0.845 20 0 GCADHN C[NH+](C)C[C@](C)(O)CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825854865 607777039 /nfs/dbraw/zinc/77/70/39/607777039.db2.gz CSCIHMUPRPFEPA-GOSISDBHSA-N 0 3 376.461 0.845 20 0 GCADHN C[N@H+](CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)CC(C)(CO)CO ZINC000825914944 607985402 /nfs/dbraw/zinc/98/54/02/607985402.db2.gz PXSAAKOYQMZTFW-UHFFFAOYSA-N 0 3 382.852 0.771 20 0 GCADHN C[N@@H+](CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)CC(C)(CO)CO ZINC000825914944 607985403 /nfs/dbraw/zinc/98/54/03/607985403.db2.gz PXSAAKOYQMZTFW-UHFFFAOYSA-N 0 3 382.852 0.771 20 0 GCADHN C[N@H+](CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)CC(C)(CO)CO ZINC000825914944 607985404 /nfs/dbraw/zinc/98/54/04/607985404.db2.gz PXSAAKOYQMZTFW-UHFFFAOYSA-N 0 3 382.852 0.771 20 0 GCADHN C[N@@H+](CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)CC(C)(CO)CO ZINC000825914944 607985405 /nfs/dbraw/zinc/98/54/05/607985405.db2.gz PXSAAKOYQMZTFW-UHFFFAOYSA-N 0 3 382.852 0.771 20 0 GCADHN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000825933933 608036988 /nfs/dbraw/zinc/03/69/88/608036988.db2.gz IWKCMWXAPNYUAU-VIFPVBQESA-N 0 3 387.370 0.200 20 0 GCADHN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000825933933 608036989 /nfs/dbraw/zinc/03/69/89/608036989.db2.gz IWKCMWXAPNYUAU-VIFPVBQESA-N 0 3 387.370 0.200 20 0 GCADHN COCCN(C)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826157904 608063025 /nfs/dbraw/zinc/06/30/25/608063025.db2.gz QQRXUZDMQONESF-MRXNPFEDSA-N 0 3 389.460 0.528 20 0 GCADHN C[NH+](C)CCOc1cc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825870580 608103161 /nfs/dbraw/zinc/10/31/61/608103161.db2.gz SVVHHZGYYJAIDJ-UHFFFAOYSA-N 0 3 397.439 0.897 20 0 GCADHN NC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000826391749 608106187 /nfs/dbraw/zinc/10/61/87/608106187.db2.gz AHBFUUPETVYFJR-VIFPVBQESA-N 0 3 390.473 0.488 20 0 GCADHN NC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000826391749 608106188 /nfs/dbraw/zinc/10/61/88/608106188.db2.gz AHBFUUPETVYFJR-VIFPVBQESA-N 0 3 390.473 0.488 20 0 GCADHN COc1ccc([C@H](CCO)[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000826188786 608112359 /nfs/dbraw/zinc/11/23/59/608112359.db2.gz GODIXJABUPZNSN-LRDDRELGSA-N 0 3 384.444 0.827 20 0 GCADHN COc1ccc([C@H](CCO)[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000826188786 608112360 /nfs/dbraw/zinc/11/23/60/608112360.db2.gz GODIXJABUPZNSN-LRDDRELGSA-N 0 3 384.444 0.827 20 0 GCADHN CC(=O)NC1CCC([N@H+](C)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823989275 608131238 /nfs/dbraw/zinc/13/12/38/608131238.db2.gz RUAWEWTZTPFGCJ-OFLPRAFFSA-N 0 3 388.472 0.986 20 0 GCADHN CC(=O)NC1CCC([N@@H+](C)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823989275 608131239 /nfs/dbraw/zinc/13/12/39/608131239.db2.gz RUAWEWTZTPFGCJ-OFLPRAFFSA-N 0 3 388.472 0.986 20 0 GCADHN O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)CN1 ZINC000826479396 608170086 /nfs/dbraw/zinc/17/00/86/608170086.db2.gz XPORZHPOTNUYSN-ZMSDIMECSA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nnn[n-]3)cc2)CN1 ZINC000826479396 608170087 /nfs/dbraw/zinc/17/00/87/608170087.db2.gz XPORZHPOTNUYSN-ZMSDIMECSA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CN1 ZINC000826479396 608170088 /nfs/dbraw/zinc/17/00/88/608170088.db2.gz XPORZHPOTNUYSN-ZMSDIMECSA-N 0 3 386.456 0.597 20 0 GCADHN O=C1C[C@H]([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CN1 ZINC000826479396 608170090 /nfs/dbraw/zinc/17/00/90/608170090.db2.gz XPORZHPOTNUYSN-ZMSDIMECSA-N 0 3 386.456 0.597 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825866506 608331572 /nfs/dbraw/zinc/33/15/72/608331572.db2.gz ZOHSPZCGJIXDKW-UHFFFAOYSA-N 0 3 399.496 0.261 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825460425 608353783 /nfs/dbraw/zinc/35/37/83/608353783.db2.gz WUGZUZKIAHGUTB-NSHDSACASA-N 0 3 389.464 0.357 20 0 GCADHN CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825460425 608353785 /nfs/dbraw/zinc/35/37/85/608353785.db2.gz WUGZUZKIAHGUTB-NSHDSACASA-N 0 3 389.464 0.357 20 0 GCADHN C[N@H+](CCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)Cc1ccccc1 ZINC000825937711 608413927 /nfs/dbraw/zinc/41/39/27/608413927.db2.gz IPGXUDOOBWTOCM-UHFFFAOYSA-N 0 3 379.472 0.911 20 0 GCADHN C[N@@H+](CCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)Cc1ccccc1 ZINC000825937711 608413929 /nfs/dbraw/zinc/41/39/29/608413929.db2.gz IPGXUDOOBWTOCM-UHFFFAOYSA-N 0 3 379.472 0.911 20 0 GCADHN CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC1 ZINC000824338114 608527241 /nfs/dbraw/zinc/52/72/41/608527241.db2.gz QBCCNTLNJNSFIF-WBVHZDCISA-N 0 3 388.472 0.843 20 0 GCADHN O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000826397432 609188416 /nfs/dbraw/zinc/18/84/16/609188416.db2.gz CZWIIWKDIYGLSS-QGZVFWFLSA-N 0 3 385.472 0.140 20 0 GCADHN O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000826397432 609188417 /nfs/dbraw/zinc/18/84/17/609188417.db2.gz CZWIIWKDIYGLSS-QGZVFWFLSA-N 0 3 385.472 0.140 20 0 GCADHN O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431000 609234449 /nfs/dbraw/zinc/23/44/49/609234449.db2.gz PHLWGDIFZSCIAG-GUYCJALGSA-N 0 3 386.456 0.517 20 0 GCADHN O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431000 609234450 /nfs/dbraw/zinc/23/44/50/609234450.db2.gz PHLWGDIFZSCIAG-GUYCJALGSA-N 0 3 386.456 0.517 20 0 GCADHN CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825452450 609300174 /nfs/dbraw/zinc/30/01/74/609300174.db2.gz OPTXXNMXBKQFOR-LLVKDONJSA-N 0 3 376.469 0.230 20 0 GCADHN CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825452450 609300177 /nfs/dbraw/zinc/30/01/77/609300177.db2.gz OPTXXNMXBKQFOR-LLVKDONJSA-N 0 3 376.469 0.230 20 0 GCADHN Cn1cc(C[NH2+][C@H]2CCc3ncnn3C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361110 609338365 /nfs/dbraw/zinc/33/83/65/609338365.db2.gz LONDCMKNASUUMQ-HNNXBMFYSA-N 0 3 376.428 0.963 20 0 GCADHN Cn1cc([C@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826359269 609339974 /nfs/dbraw/zinc/33/99/74/609339974.db2.gz BBTQGXUJUBMANF-MRXNPFEDSA-N 0 3 379.428 0.824 20 0 GCADHN O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826443157 609417137 /nfs/dbraw/zinc/41/71/37/609417137.db2.gz DBRGRUMSQGYQIZ-INIZCTEOSA-N 0 3 379.424 0.758 20 0 GCADHN O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826443157 609417138 /nfs/dbraw/zinc/41/71/38/609417138.db2.gz DBRGRUMSQGYQIZ-INIZCTEOSA-N 0 3 379.424 0.758 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826060571 609417127 /nfs/dbraw/zinc/41/71/27/609417127.db2.gz OXMIHLNHRQWUGG-OWCLPIDISA-N 0 3 383.456 0.866 20 0 GCADHN COc1cccc([C@@H](CO)NC[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826214324 609427137 /nfs/dbraw/zinc/42/71/37/609427137.db2.gz IDHDCHLMVHIPQK-MAUKXSAKSA-N 0 3 385.424 0.938 20 0 GCADHN CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nccc(C)c3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000823980440 609576494 /nfs/dbraw/zinc/57/64/94/609576494.db2.gz CSALALGCOFIGQD-GOEBONIOSA-N 0 3 384.488 0.949 20 0 GCADHN CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nccc(C)c3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000823980440 609576496 /nfs/dbraw/zinc/57/64/96/609576496.db2.gz CSALALGCOFIGQD-GOEBONIOSA-N 0 3 384.488 0.949 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CC[C@@H]2CO)c1 ZINC000934026878 638519216 /nfs/dbraw/zinc/51/92/16/638519216.db2.gz HYFALAGIMKFTAG-LLVKDONJSA-N 0 3 375.878 0.986 20 0 GCADHN C[C@@H]1CCC[C@](CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)(N(C)C)C1 ZINC000892238033 638536019 /nfs/dbraw/zinc/53/60/19/638536019.db2.gz VXAUHRITIJGASC-INMHGKMJSA-N 0 3 375.535 0.952 20 0 GCADHN CCOC(=O)C1(S(=O)(=O)NC[C@H](C)CN2CCN(CC)CC2)CCC1 ZINC000866874514 638544100 /nfs/dbraw/zinc/54/41/00/638544100.db2.gz RAPNQCCTFSVIAL-HNNXBMFYSA-N 0 3 375.535 0.665 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000181444742 638592596 /nfs/dbraw/zinc/59/25/96/638592596.db2.gz LVYLASRMIMIPPE-GFCCVEGCSA-N 0 3 398.305 0.925 20 0 GCADHN Cn1cc(CNC[C@@H]2CCCCN2CCO)c(I)n1 ZINC000894873006 638714997 /nfs/dbraw/zinc/71/49/97/638714997.db2.gz DJABOZYLQDJDJP-LBPRGKRZSA-N 0 3 378.258 0.961 20 0 GCADHN COC(=O)[C@H]1CSCCN1C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000895103145 638727733 /nfs/dbraw/zinc/72/77/33/638727733.db2.gz NRQWPIXKZCHCHN-NWDGAFQWSA-N 0 3 375.491 0.558 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=S)NCCNS(C)(=O)=O ZINC000727079567 638735608 /nfs/dbraw/zinc/73/56/08/638735608.db2.gz WEUPRGLHRFBUGE-UHFFFAOYSA-N 0 3 376.523 0.613 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)Cc1c(I)cnn1C ZINC000895260796 638745260 /nfs/dbraw/zinc/74/52/60/638745260.db2.gz SGCFFRNNXKFUEJ-UHFFFAOYSA-N 0 3 393.273 0.477 20 0 GCADHN Cn1nc(Br)nc1CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000895551939 638754302 /nfs/dbraw/zinc/75/43/02/638754302.db2.gz LMBVVACVPAYURO-UHFFFAOYSA-N 0 3 385.310 0.883 20 0 GCADHN Cn1ncc(Br)c1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000896098414 639038038 /nfs/dbraw/zinc/03/80/38/639038038.db2.gz ISWUSGNNEKFSCO-QWHCGFSZSA-N 0 3 386.294 0.923 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000866943419 639144423 /nfs/dbraw/zinc/14/44/23/639144423.db2.gz HWGLRHQATCENKE-AWEZNQCLSA-N 0 3 378.539 0.409 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=S)NCCS(C)(=O)=O)cc21 ZINC000729159462 639154308 /nfs/dbraw/zinc/15/43/08/639154308.db2.gz QXZDEDJQCDCQER-UHFFFAOYSA-N 0 3 386.499 0.487 20 0 GCADHN O=C([C@H]1Cc2ccc(Br)cc2C(=O)O1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000898437056 639239435 /nfs/dbraw/zinc/23/94/35/639239435.db2.gz LUMADMNQNWWFNA-GZBFAFLISA-N 0 3 395.253 0.808 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCN(C)CCO)s1 ZINC000899729502 639272470 /nfs/dbraw/zinc/27/24/70/639272470.db2.gz ITHYHBYGGAZPFY-CYBMUJFWSA-N 0 3 375.516 0.250 20 0 GCADHN CN(CCO)CCNC(=O)c1cnn(C(C)(C)C)c1I ZINC000899740928 639274444 /nfs/dbraw/zinc/27/44/44/639274444.db2.gz KARGTRHCMUFNLK-UHFFFAOYSA-N 0 3 394.257 0.897 20 0 GCADHN Cn1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(I)n1 ZINC000906459456 639322813 /nfs/dbraw/zinc/32/28/13/639322813.db2.gz MHTPZNRCSDDJIH-VHSXEESVSA-N 0 3 390.225 0.618 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C1 ZINC000907237839 639368469 /nfs/dbraw/zinc/36/84/69/639368469.db2.gz JRBUDDGOMGQPGE-MRVPVSSYSA-N 0 3 394.266 0.917 20 0 GCADHN CN(C)C[C@@H]1NC(=O)N(CCNS(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000924814512 639419032 /nfs/dbraw/zinc/41/90/32/639419032.db2.gz JYPVPMFSXJUGDE-QMMMGPOBSA-N 0 3 380.879 0.162 20 0 GCADHN O=C(c1c[nH]nc1I)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000908201868 639444579 /nfs/dbraw/zinc/44/45/79/639444579.db2.gz MNVLUFJDJHEJNH-DTWKUNHWSA-N 0 3 376.198 0.295 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)c1ccc(Br)cc1-n1cnnn1 ZINC000908208876 639445293 /nfs/dbraw/zinc/44/52/93/639445293.db2.gz VWPZXBKHWKHFCO-LBPRGKRZSA-N 0 3 395.261 0.611 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@H]1c1cncc(Br)c1 ZINC000911308672 639511520 /nfs/dbraw/zinc/51/15/20/639511520.db2.gz BOIRYHPGPUMZGK-KGLIPLIRSA-N 0 3 397.273 0.612 20 0 GCADHN Cc1c(Br)cc(C(=O)N(CCO)C2CCN(C)CC2)c(=O)n1C ZINC000911943718 639525542 /nfs/dbraw/zinc/52/55/42/639525542.db2.gz QDDHLLQXJFMSCT-UHFFFAOYSA-N 0 3 386.290 0.985 20 0 GCADHN CN1CCNC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000911979017 639526196 /nfs/dbraw/zinc/52/61/96/639526196.db2.gz UHOFGTQCABKNNG-OAHLLOKOSA-N 0 3 386.905 0.077 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@H](N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000924845884 639537955 /nfs/dbraw/zinc/53/79/55/639537955.db2.gz OQFMKMXKAYMAOR-ZIAGYGMSSA-N 0 3 377.507 0.636 20 0 GCADHN CN(CCO)CCN(C)C(=O)CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000912611402 639547114 /nfs/dbraw/zinc/54/71/14/639547114.db2.gz OHYSKOWNRLSYRV-UHFFFAOYSA-N 0 3 375.466 0.267 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2n[nH]cc2I)CC1=O ZINC000912889150 639557094 /nfs/dbraw/zinc/55/70/94/639557094.db2.gz VVORWGHPSNPJKF-QMMMGPOBSA-N 0 3 391.213 0.363 20 0 GCADHN CCN(CC)S(=O)(=O)N1CCN(C(=S)NC2CCN(C)CC2)CC1 ZINC000063146274 639636662 /nfs/dbraw/zinc/63/66/62/639636662.db2.gz IBIZRZNAVCHCRI-UHFFFAOYSA-N 0 3 377.580 0.159 20 0 GCADHN COCCN1CC[C@@H](NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000730733462 639736916 /nfs/dbraw/zinc/73/69/16/639736916.db2.gz KJNBZCDLWZQNFX-CQSZACIVSA-N 0 3 386.543 0.944 20 0 GCADHN CN1CCC(NC(=S)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000731949510 639786157 /nfs/dbraw/zinc/78/61/57/639786157.db2.gz JJTUNGXMDRLNOV-CQSZACIVSA-N 0 3 378.564 0.033 20 0 GCADHN CN1CCCN(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000732703051 639813866 /nfs/dbraw/zinc/81/38/66/639813866.db2.gz LBEDWMOECKWNJE-UHFFFAOYSA-N 0 3 386.440 0.895 20 0 GCADHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)C[C@@H]2C1 ZINC000916663405 639831585 /nfs/dbraw/zinc/83/15/85/639831585.db2.gz FCXQTBQYWVTUPM-NEPJUHHUSA-N 0 3 387.889 0.776 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)c(OC)c1 ZINC000262743269 639876653 /nfs/dbraw/zinc/87/66/53/639876653.db2.gz CXIDKCFZYOSPEW-YPMHNXCESA-N 0 3 391.515 0.876 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](C2OCCO2)C1 ZINC000921250747 639933210 /nfs/dbraw/zinc/93/32/10/639933210.db2.gz JSUOQYMQNAQGOI-NXEZZACHSA-N 0 3 375.365 0.895 20 0 GCADHN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CCN2CC[C@H]1C2 ZINC000615562370 639950657 /nfs/dbraw/zinc/95/06/57/639950657.db2.gz CHIOWPOZKDHDTP-NSHDSACASA-N 0 3 378.226 0.962 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NCCN2CCCC[C@@H]2CC)CC1 ZINC000733318945 639971259 /nfs/dbraw/zinc/97/12/59/639971259.db2.gz IBJHBVXAVNEEHU-HNNXBMFYSA-N 0 3 376.523 0.859 20 0 GCADHN CCC[C@H](NS(=O)(=O)N1CCNCC1)C(=O)N1CCc2sccc2C1 ZINC000923603168 640151084 /nfs/dbraw/zinc/15/10/84/640151084.db2.gz JFBMDHAIKONTFW-AWEZNQCLSA-N 0 3 386.543 0.541 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@H]2CCN(CC)[C@@H](C)C2)CC1 ZINC000740893736 640218209 /nfs/dbraw/zinc/21/82/09/640218209.db2.gz CQYFBXDRGSFEBI-GJZGRUSLSA-N 0 3 376.523 0.810 20 0 GCADHN CC1(C)CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CCN1 ZINC000747921149 640319456 /nfs/dbraw/zinc/31/94/56/640319456.db2.gz HOKUDZNNCNACOF-UHFFFAOYSA-N 0 3 382.305 0.982 20 0 GCADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1F ZINC000752480055 640409878 /nfs/dbraw/zinc/40/98/78/640409878.db2.gz ANFYEAUVCNWGHT-MRXNPFEDSA-N 0 3 375.466 0.555 20 0 GCADHN COCCN(C)CCNC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl ZINC000760504327 640573275 /nfs/dbraw/zinc/57/32/75/640573275.db2.gz YYMPGRICAFOYNS-LBPRGKRZSA-N 0 3 392.909 0.486 20 0 GCADHN COC[C@@H](CCO)N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766106007 640690644 /nfs/dbraw/zinc/69/06/44/640690644.db2.gz AMZMXXUFVKRSNN-TZMCWYRMSA-N 0 3 394.515 0.460 20 0 GCADHN Cn1c(Cl)ncc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000769406960 640772937 /nfs/dbraw/zinc/77/29/37/640772937.db2.gz WNVFHFGIUPAWOT-UHFFFAOYSA-N 0 3 375.882 0.002 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775167089 641070002 /nfs/dbraw/zinc/07/00/02/641070002.db2.gz XUBPKVYXRXFQEM-LBPRGKRZSA-N 0 3 393.315 0.309 20 0 GCADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCCS(=O)(=O)N1CCOCC1 ZINC000775628408 641080791 /nfs/dbraw/zinc/08/07/91/641080791.db2.gz QOPLRAYFZQMGPG-UONOGXRCSA-N 0 3 377.507 0.684 20 0 GCADHN O=C(c1nccn2c(Br)cnc12)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861714882 641163276 /nfs/dbraw/zinc/16/32/76/641163276.db2.gz LYVOSMWHCSZJLZ-GHMZBOCLSA-N 0 3 380.246 0.773 20 0 GCADHN CC(C)(C)OC(=O)N1CCC[C@@H](NCCS(=O)(=O)N2CCOCC2)C1 ZINC000779094075 641180106 /nfs/dbraw/zinc/18/01/06/641180106.db2.gz NFTYLLBXTMSWOO-CQSZACIVSA-N 0 3 377.507 0.638 20 0 GCADHN CN1CCN(C)[C@@H](CNC(=O)c2ccc(I)cc2O)C1 ZINC000865706602 641285360 /nfs/dbraw/zinc/28/53/60/641285360.db2.gz XMSIKFGPEGLZSB-NSHDSACASA-N 0 3 389.237 0.972 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cnn(C)c1Br ZINC000866731136 641319746 /nfs/dbraw/zinc/31/97/46/641319746.db2.gz PXTSNGCBVMYCRR-UHFFFAOYSA-N 0 3 382.328 0.297 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CC2([NH3+])CCCCC2)c1I ZINC000866736038 641320377 /nfs/dbraw/zinc/32/03/77/641320377.db2.gz ZLLLCHQGMJABLZ-UHFFFAOYSA-N 0 3 398.270 0.965 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@H]1CCC[NH2+]C1 ZINC000866738535 641321015 /nfs/dbraw/zinc/32/10/15/641321015.db2.gz ONANWZUDMVMIME-BDAKNGLRSA-N 0 3 398.270 0.691 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CC[C@H]2CC[NH2+]C2)c1I ZINC000866740675 641321870 /nfs/dbraw/zinc/32/18/70/641321870.db2.gz TYVATAWCJJXTKO-MRVPVSSYSA-N 0 3 384.243 0.303 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@H](C[NH3+])C2CCCC2)c1I ZINC000866758815 641325541 /nfs/dbraw/zinc/32/55/41/641325541.db2.gz IOCPVSOECUHZSR-VIFPVBQESA-N 0 3 398.270 0.821 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H](C[NH3+])C2CCCC2)c1I ZINC000866758814 641325654 /nfs/dbraw/zinc/32/56/54/641325654.db2.gz IOCPVSOECUHZSR-SECBINFHSA-N 0 3 398.270 0.821 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C2CC3(CC([NH3+])C3)C2)c1I ZINC000866758274 641325723 /nfs/dbraw/zinc/32/57/23/641325723.db2.gz REXWOCIRCZOUMN-UHFFFAOYSA-N 0 3 396.254 0.573 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1F ZINC000866827296 641338955 /nfs/dbraw/zinc/33/89/55/641338955.db2.gz KTOZKHCRYUTZJG-KBPBESRZSA-N 0 3 377.463 0.712 20 0 GCADHN CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000867504248 641348375 /nfs/dbraw/zinc/34/83/75/641348375.db2.gz NVPAALBEDJZLQP-WNSKOXEYSA-N 0 3 375.516 0.705 20 0 GCADHN CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000867504248 641348380 /nfs/dbraw/zinc/34/83/80/641348380.db2.gz NVPAALBEDJZLQP-WNSKOXEYSA-N 0 3 375.516 0.705 20 0 GCADHN Cn1ncc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c1C(F)(F)F ZINC000867533404 641352149 /nfs/dbraw/zinc/35/21/49/641352149.db2.gz BNLYQCIFHBCWNL-NSHDSACASA-N 0 3 382.408 0.659 20 0 GCADHN O=S(=O)(c1nc[nH]c1Br)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000867534747 641352280 /nfs/dbraw/zinc/35/22/80/641352280.db2.gz ZQFPUVLXFHWTFR-JTQLQIEISA-N 0 3 379.280 0.392 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cccnc2Cl)CC1=O ZINC000867709941 641369608 /nfs/dbraw/zinc/36/96/08/641369608.db2.gz SRPBZWJHVCDIGS-LBPRGKRZSA-N 0 3 390.893 0.192 20 0 GCADHN CNS(=O)(=O)c1cccc2c1CCN(C(=S)NC1CCN(C)CC1)C2 ZINC000789342459 641386131 /nfs/dbraw/zinc/38/61/31/641386131.db2.gz MTSOYZGZRZJNDS-UHFFFAOYSA-N 0 3 382.555 0.922 20 0 GCADHN COc1cc(I)ccc1C(=O)N[C@H](CO)CN(C)C ZINC000868345873 641402440 /nfs/dbraw/zinc/40/24/40/641402440.db2.gz SEXCTGFCSVHNMK-JTQLQIEISA-N 0 3 378.210 0.952 20 0 GCADHN O=C(CNS(=O)(=O)N1CCNCC1)Nc1ccc(Br)cc1 ZINC000923606911 641418095 /nfs/dbraw/zinc/41/80/95/641418095.db2.gz ZGLAMONLTHMNJR-UHFFFAOYSA-N 0 3 377.264 0.127 20 0 GCADHN O=S(=O)(N[C@@H]1CCN(c2ccccc2Br)C1)N1CCNCC1 ZINC000923609663 641422710 /nfs/dbraw/zinc/42/27/10/641422710.db2.gz FIGPENJRXYMJIE-GFCCVEGCSA-N 0 3 389.319 0.767 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC000869781774 641429386 /nfs/dbraw/zinc/42/93/86/641429386.db2.gz XODCYSPLLJNODM-NRXISQOPSA-N 0 3 375.535 0.446 20 0 GCADHN O=C(C1CCCCS1(=O)=O)N(CCCO)S(=O)(=O)c1cccs1 ZINC000791789315 641437568 /nfs/dbraw/zinc/43/75/68/641437568.db2.gz REKOCLDJTLISTI-NSHDSACASA-N 0 3 381.497 0.615 20 0 GCADHN COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)N1CCNCC1 ZINC000923624345 641445330 /nfs/dbraw/zinc/44/53/30/641445330.db2.gz DEOKQPZBSCCBMY-UHFFFAOYSA-N 0 3 376.866 0.417 20 0 GCADHN O=C1OC[C@]2(CNCc3cnn4cc(Br)cnc34)COCCN12 ZINC000872260608 641466089 /nfs/dbraw/zinc/46/60/89/641466089.db2.gz CQXDCXNDEHXEGW-AWEZNQCLSA-N 0 3 382.218 0.803 20 0 GCADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000794404860 641490555 /nfs/dbraw/zinc/49/05/55/641490555.db2.gz PNFSKUAIZHOECE-ZIAGYGMSSA-N 0 3 379.523 0.523 20 0 GCADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000794544734 641492554 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/nfs/dbraw/zinc/31/56/83/1192315683.db2.gz QMORBSIGZJWLTO-UHFFFAOYSA-N 0 3 376.457 0.036 20 0 GCADHN Cn1cc([C@@H]2[C@@H](CNC(=O)C[C@H]3CNCCO3)CC(=O)N2C(C)(C)C)cn1 ZINC000662631567 1192319192 /nfs/dbraw/zinc/31/91/92/1192319192.db2.gz SRGLXJYPVDSODJ-XUWXXGDYSA-N 0 3 377.489 0.603 20 0 GCADHN CN(CC1(C)COC1)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000636845613 1192327426 /nfs/dbraw/zinc/32/74/26/1192327426.db2.gz GHQBFKCQROTYNI-GOSISDBHSA-N 0 3 389.496 0.889 20 0 GCADHN COc1ccc(CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1OC ZINC000663412383 1192327637 /nfs/dbraw/zinc/32/76/37/1192327637.db2.gz AZEZWBFESCDJAK-UHFFFAOYSA-N 0 3 380.489 0.908 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCNC(=O)C1)C2 ZINC001719838923 1192330982 /nfs/dbraw/zinc/33/09/82/1192330982.db2.gz PTIPDYHOCJDWAS-OHNQJVKOSA-N 0 3 378.517 0.881 20 0 GCADHN CCOC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000728880816 1192345274 /nfs/dbraw/zinc/34/52/74/1192345274.db2.gz HGJBBWOAORBPQP-INIZCTEOSA-N 0 3 382.505 0.868 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C ZINC000429805265 1192349341 /nfs/dbraw/zinc/34/93/41/1192349341.db2.gz AJIAPWXPSYHYRR-UHFFFAOYSA-N 0 3 398.529 0.922 20 0 GCADHN CCCCNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268076455 1192358933 /nfs/dbraw/zinc/35/89/33/1192358933.db2.gz YPPMXMCYPJAVRL-WBTNSWJXSA-N 0 3 382.505 0.864 20 0 GCADHN O=C(NC[C@H](n1cncn1)C(F)(F)F)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000637004510 1192363297 /nfs/dbraw/zinc/36/32/97/1192363297.db2.gz CBAZRTHOUKGXCN-AGIUHOORSA-N 0 3 388.394 0.631 20 0 GCADHN COc1ncc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1C(N)=O ZINC000278919904 1192363312 /nfs/dbraw/zinc/36/33/12/1192363312.db2.gz UQPYMJMXBNULCO-GFCCVEGCSA-N 0 3 377.445 0.906 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCOc3ccccc3)C2)CC1 ZINC000585684055 1192366904 /nfs/dbraw/zinc/36/69/04/1192366904.db2.gz REUOAIFPTYMPAY-GOSISDBHSA-N 0 3 388.512 0.809 20 0 GCADHN CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)C2 ZINC001719843614 1192375483 /nfs/dbraw/zinc/37/54/83/1192375483.db2.gz OKIMUGPCHUJJGN-WCVJEAGWSA-N 0 3 379.505 0.365 20 0 GCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)NC[C@H]1COCCO1 ZINC000057081218 1192386762 /nfs/dbraw/zinc/38/67/62/1192386762.db2.gz DAWPFLRTUAHIIL-IBGZPJMESA-N 0 3 376.501 0.909 20 0 GCADHN CN(C)c1nc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc(=O)[n-]1 ZINC000473208182 1192391080 /nfs/dbraw/zinc/39/10/80/1192391080.db2.gz MUKLGKYFHBQZIQ-UHFFFAOYSA-N 0 3 376.505 0.928 20 0 GCADHN CN1CCN(CCCNC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](c2ccccc2)C1 ZINC000033135768 1192406830 /nfs/dbraw/zinc/40/68/30/1192406830.db2.gz ZIKUFNIPHVQZGD-QGZVFWFLSA-N 0 3 385.468 0.032 20 0 GCADHN CCNC(=O)COc1ccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1OC ZINC000663585485 1192404167 /nfs/dbraw/zinc/40/41/67/1192404167.db2.gz UNIBBQINYOQURC-GJZGRUSLSA-N 0 3 394.472 0.026 20 0 GCADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@H]1C ZINC000585773976 1192410242 /nfs/dbraw/zinc/41/02/42/1192410242.db2.gz QKBCECJNRDXNFG-LDBYXDLTSA-N 0 3 389.496 0.933 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCCNC(N)=O)N(C)C ZINC001719850079 1192415325 /nfs/dbraw/zinc/41/53/25/1192415325.db2.gz CWBXQYHIPYTQNA-WBTNSWJXSA-N 0 3 381.521 0.659 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001719850275 1192415899 /nfs/dbraw/zinc/41/58/99/1192415899.db2.gz HNRCVXAOJTUEQH-ZETQLYEFSA-N 0 3 379.501 0.628 20 0 GCADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)CCN1C ZINC000410566127 1192416212 /nfs/dbraw/zinc/41/62/12/1192416212.db2.gz XNMZYJPJRXVCMR-GOSISDBHSA-N 0 3 380.533 0.356 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCC(O)(CO)CC2)CC1 ZINC000663613830 1192417869 /nfs/dbraw/zinc/41/78/69/1192417869.db2.gz VFSWBACYFHRGGK-UHFFFAOYSA-N 0 3 390.528 0.853 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(C(C)(C)C)c2)CC1 ZINC000446717762 1192422143 /nfs/dbraw/zinc/42/21/43/1192422143.db2.gz VBZISONTGKCASF-UHFFFAOYSA-N 0 3 392.504 0.589 20 0 GCADHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NC[C@]2(O)CCN(C)C2)s1 ZINC000512080940 1192430722 /nfs/dbraw/zinc/43/07/22/1192430722.db2.gz GEMMMBXSSHASBZ-GLKRBJQHSA-N 0 3 384.506 0.429 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F)N1CCC[C@@H](C)C1 ZINC000637205564 1192437034 /nfs/dbraw/zinc/43/70/34/1192437034.db2.gz JPAHSJNVDBJTIA-AGIUHOORSA-N 0 3 390.410 0.734 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cnc[n-]c3=O)C2)CC[N@@H+]1C ZINC000981471423 1192437267 /nfs/dbraw/zinc/43/72/67/1192437267.db2.gz GOHXYCPPNKLNBW-KNCOVGOOSA-N 0 3 375.473 0.927 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cnc[n-]c3=O)C2)CC[N@H+]1C ZINC000981471423 1192437276 /nfs/dbraw/zinc/43/72/76/1192437276.db2.gz GOHXYCPPNKLNBW-KNCOVGOOSA-N 0 3 375.473 0.927 20 0 GCADHN CNC(=O)NC(=O)CNC[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCCCC1 ZINC001268122052 1192448274 /nfs/dbraw/zinc/44/82/74/1192448274.db2.gz YBBMIOKQPVDALF-WCVJEAGWSA-N 0 3 380.489 0.664 20 0 GCADHN CNC(=O)NC(=O)CNC[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCCCC1 ZINC001268122048 1192448377 /nfs/dbraw/zinc/44/83/77/1192448377.db2.gz YBBMIOKQPVDALF-FPCVCCKLSA-N 0 3 380.489 0.664 20 0 GCADHN CN1CCN(CCCCNC(=O)NCCNC(=O)c2ccccc2F)CC1 ZINC000050111506 1192449312 /nfs/dbraw/zinc/44/93/12/1192449312.db2.gz NKMIZEGKBALRPB-UHFFFAOYSA-N 0 3 379.480 0.882 20 0 GCADHN CCn1nccc1C1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000279074501 1192455338 /nfs/dbraw/zinc/45/53/38/1192455338.db2.gz NBQSTJQWGAKOKR-UHFFFAOYSA-N 0 3 385.472 0.530 20 0 GCADHN CCOC(=O)[C@@H]1[C@H](NCCNC(=O)c2ccn[nH]2)CCN1C(=O)OC(C)(C)C ZINC000279090489 1192462933 /nfs/dbraw/zinc/46/29/33/1192462933.db2.gz UGNXQXBIGSYLHI-OCCSQVGLSA-N 0 3 395.460 0.670 20 0 GCADHN CCOC(=O)[C@@H]1[C@@H](NCCNC(=O)c2ccn[nH]2)CCN1C(=O)OC(C)(C)C ZINC000279090486 1192463452 /nfs/dbraw/zinc/46/34/52/1192463452.db2.gz UGNXQXBIGSYLHI-JSGCOSHPSA-N 0 3 395.460 0.670 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000432465418 1192465684 /nfs/dbraw/zinc/46/56/84/1192465684.db2.gz SNRYIPFJXKQLOT-HOCLYGCPSA-N 0 3 388.534 0.163 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000279114413 1192468260 /nfs/dbraw/zinc/46/82/60/1192468260.db2.gz SYCPARFYIRVRNB-UHFFFAOYSA-N 0 3 381.502 0.711 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CN1CCc2ccccc2C1=O ZINC000279208428 1192485905 /nfs/dbraw/zinc/48/59/05/1192485905.db2.gz KRUBIGBNEVDDSH-GOSISDBHSA-N 0 3 386.496 0.744 20 0 GCADHN O=C(NCCS(=O)(=O)NC1CC1)NCC1CCN(Cc2ccncc2)CC1 ZINC000663699584 1192495668 /nfs/dbraw/zinc/49/56/68/1192495668.db2.gz BZMDFDGGYYVUFU-UHFFFAOYSA-N 0 3 395.529 0.675 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000279287550 1192500789 /nfs/dbraw/zinc/50/07/89/1192500789.db2.gz PCYRJMJPUGZLNS-LBPRGKRZSA-N 0 3 387.488 0.578 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2nnc(C3CC3)n2C[C@@H]2CCOC2)CC1 ZINC000549652168 1192517349 /nfs/dbraw/zinc/51/73/49/1192517349.db2.gz WJKHEOSOUHKLGV-INIZCTEOSA-N 0 3 388.516 0.936 20 0 GCADHN CC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1 ZINC000580336815 1192525051 /nfs/dbraw/zinc/52/50/51/1192525051.db2.gz BOMGIQVWSPSWLK-UHFFFAOYSA-N 0 3 378.473 0.605 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000279416754 1192537715 /nfs/dbraw/zinc/53/77/15/1192537715.db2.gz FINOWTDBVWOPJX-CQSZACIVSA-N 0 3 396.513 0.729 20 0 GCADHN Cc1c(C(=O)NCCCCN2CCN(CCO)CC2)[nH]c2c1C(=O)CCC2 ZINC000432535102 1192542336 /nfs/dbraw/zinc/54/23/36/1192542336.db2.gz JGTGTNVFYDEUAZ-UHFFFAOYSA-N 0 3 376.501 0.962 20 0 GCADHN COc1cccc2c1OCC(C(=O)NCCCCN1CCN(CCO)CC1)=C2 ZINC000432536121 1192543987 /nfs/dbraw/zinc/54/39/87/1192543987.db2.gz OYYHNSJKKQXHIV-UHFFFAOYSA-N 0 3 389.496 0.977 20 0 GCADHN Cn1cc(-c2ncc(C(=O)NCCCCN3CCN(CCO)CC3)s2)cn1 ZINC000432542481 1192548354 /nfs/dbraw/zinc/54/83/54/1192548354.db2.gz UMWISCJBAXPLFH-UHFFFAOYSA-N 0 3 392.529 0.664 20 0 GCADHN COC(=O)c1cccc(NC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000512217130 1192552431 /nfs/dbraw/zinc/55/24/31/1192552431.db2.gz FVNWHRWAYAHEJB-UHFFFAOYSA-N 0 3 378.473 0.985 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cnn(C[C@@H](O)CO)c1 ZINC000613991971 1192552924 /nfs/dbraw/zinc/55/29/24/1192552924.db2.gz GHZQFGDZRRIYFU-MOPGFXCFSA-N 0 3 388.468 0.257 20 0 GCADHN CC(C)N1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001058918604 1192561881 /nfs/dbraw/zinc/56/18/81/1192561881.db2.gz BTYWWJHSRWKVBQ-BDXSIMOUSA-N 0 3 381.517 0.754 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000279728758 1192593716 /nfs/dbraw/zinc/59/37/16/1192593716.db2.gz QFWLZVCTCHBQFF-UHFFFAOYSA-N 0 3 399.495 0.553 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC(=O)N(C4CC4)C3)c(C)c2)CC1 ZINC000279737983 1192596270 /nfs/dbraw/zinc/59/62/70/1192596270.db2.gz REAGFKYUPYYPNT-UHFFFAOYSA-N 0 3 399.495 0.866 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C ZINC000279756178 1192598261 /nfs/dbraw/zinc/59/82/61/1192598261.db2.gz DBSMZRDWXKVTIC-CQSZACIVSA-N 0 3 381.477 0.289 20 0 GCADHN CCC[C@]1(NCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000512296343 1192600650 /nfs/dbraw/zinc/60/06/50/1192600650.db2.gz XVMIZGXEJCOEBR-NUJGCVRESA-N 0 3 388.530 0.730 20 0 GCADHN CCC[C@]1(NCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000512296341 1192600710 /nfs/dbraw/zinc/60/07/10/1192600710.db2.gz XVMIZGXEJCOEBR-BQFCYCMXSA-N 0 3 388.530 0.730 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(Cc2csc(C)n2)CC1 ZINC000509738265 1192609627 /nfs/dbraw/zinc/60/96/27/1192609627.db2.gz PENPQBAQKOJZFI-UHFFFAOYSA-N 0 3 397.545 0.180 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000509739025 1192610182 /nfs/dbraw/zinc/61/01/82/1192610182.db2.gz SKJXTYJJCQGDJM-WNRNVDISSA-N 0 3 383.533 0.859 20 0 GCADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000606987169 1192614178 /nfs/dbraw/zinc/61/41/78/1192614178.db2.gz BVKBRBSNVCPFPQ-UHFFFAOYSA-N 0 3 390.488 0.520 20 0 GCADHN COc1ncc(C)cc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000473247046 1192623785 /nfs/dbraw/zinc/62/37/85/1192623785.db2.gz XHFKRLAJHLZCNP-HNNXBMFYSA-N 0 3 391.472 0.396 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CCO)CCN1CCOCC1 ZINC000437269990 1192626806 /nfs/dbraw/zinc/62/68/06/1192626806.db2.gz RXADIPNBAYKJNH-UHFFFAOYSA-N 0 3 392.500 0.148 20 0 GCADHN CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CC2 ZINC000140809072 1192629528 /nfs/dbraw/zinc/62/95/28/1192629528.db2.gz POZMLTVCQGICIJ-CABCVRRESA-N 0 3 389.504 0.103 20 0 GCADHN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000663812328 1192631856 /nfs/dbraw/zinc/63/18/56/1192631856.db2.gz WECWZOXLMYKELL-IRXDYDNUSA-N 0 3 398.529 0.331 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](CO)CN2CCCCC2)cc1C ZINC000512364446 1192633014 /nfs/dbraw/zinc/63/30/14/1192633014.db2.gz GTMOJYQHUKJJKS-QGZVFWFLSA-N 0 3 397.541 0.935 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cnn1CC(C)C ZINC000500518710 1192636568 /nfs/dbraw/zinc/63/65/68/1192636568.db2.gz JTOWGBFFKFPIMX-OAHLLOKOSA-N 0 3 378.521 0.786 20 0 GCADHN O=C(CNC(=O)c1cnc2ccccc2c1O)N[C@H](CO)CN1CCCCC1 ZINC000512384258 1192639226 /nfs/dbraw/zinc/63/92/26/1192639226.db2.gz MTQOYRASUHFTEU-AWEZNQCLSA-N 0 3 386.452 0.221 20 0 GCADHN O=C(NCCOc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CNCCO1 ZINC000418754101 1192639545 /nfs/dbraw/zinc/63/95/45/1192639545.db2.gz BEVNOOXSGLIWTA-CYBMUJFWSA-N 0 3 375.347 0.305 20 0 GCADHN CCOC(=O)c1nnc(-c2cccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)c2)[n-]1 ZINC000418768067 1192640776 /nfs/dbraw/zinc/64/07/76/1192640776.db2.gz OLNNTQMANCTKLP-CQSZACIVSA-N 0 3 388.428 0.436 20 0 GCADHN O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)NC[C@H]1CNCCO1 ZINC000418766507 1192640779 /nfs/dbraw/zinc/64/07/79/1192640779.db2.gz MWBNUYUFSBZQLD-TZMCWYRMSA-N 0 3 377.363 0.733 20 0 GCADHN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@H]1CNCCO1 ZINC000418774336 1192642253 /nfs/dbraw/zinc/64/22/53/1192642253.db2.gz VDZDSBJNHTZGJT-PKOBYXMFSA-N 0 3 376.501 0.907 20 0 GCADHN NCC(F)(F)CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000418780962 1192643021 /nfs/dbraw/zinc/64/30/21/1192643021.db2.gz KZGKMXLUVIIEFF-UHFFFAOYSA-N 0 3 397.470 0.415 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)C[C@@H]1O ZINC000663820101 1192645156 /nfs/dbraw/zinc/64/51/56/1192645156.db2.gz RQWMGPBMIXAWDC-SQNIBIBYSA-N 0 3 390.484 0.412 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](CO)CN1CCCCC1)C2=O ZINC000512394804 1192645349 /nfs/dbraw/zinc/64/53/49/1192645349.db2.gz KNNVXKXCIIWJGV-LFDOHDQPSA-N 0 3 394.516 0.840 20 0 GCADHN O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)C(=O)N1CCCNCC1 ZINC000418792461 1192645923 /nfs/dbraw/zinc/64/59/23/1192645923.db2.gz NALLGBUETUAUCZ-ZDUSSCGKSA-N 0 3 382.411 0.805 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N(C)CCN(C)C)cc1C ZINC000429813980 1192646536 /nfs/dbraw/zinc/64/65/36/1192646536.db2.gz STRNRJUXYPWEBK-INIZCTEOSA-N 0 3 398.529 0.236 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000418797089 1192647237 /nfs/dbraw/zinc/64/72/37/1192647237.db2.gz UBVFTTALERIFMC-KBPBESRZSA-N 0 3 380.876 0.530 20 0 GCADHN CCC[C@@H]1CNCCN1C(=O)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000418798093 1192647816 /nfs/dbraw/zinc/64/78/16/1192647816.db2.gz GVENUDMITSDQAF-GOSISDBHSA-N 0 3 394.560 0.986 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)c1C ZINC000429816050 1192647880 /nfs/dbraw/zinc/64/78/80/1192647880.db2.gz XQIIWMDDXIALIL-UHFFFAOYSA-N 0 3 398.529 0.888 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)C[C@H](C)N1 ZINC000418810668 1192651921 /nfs/dbraw/zinc/65/19/21/1192651921.db2.gz UTVJOAFKSTXDFL-IRXDYDNUSA-N 0 3 380.533 0.594 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C(=O)N1Cc2ccccc2C1 ZINC000418820947 1192653994 /nfs/dbraw/zinc/65/39/94/1192653994.db2.gz FXWUBKAHAPTRGX-IOASZLSFSA-N 0 3 388.468 0.263 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)c(OC[C@H]2CCCO2)c1 ZINC000418822434 1192656395 /nfs/dbraw/zinc/65/63/95/1192656395.db2.gz YEASQYDJEBDUJQ-IAGOWNOFSA-N 0 3 391.468 0.274 20 0 GCADHN N[C@H](CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000418827845 1192657760 /nfs/dbraw/zinc/65/77/60/1192657760.db2.gz HIMPOOJYKUDHNQ-VQTJNVASSA-N 0 3 396.491 0.820 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2CCN[C@H](C)C2)N(C)C)cc1OC ZINC000418828446 1192658323 /nfs/dbraw/zinc/65/83/23/1192658323.db2.gz HYXYLLMDWQUSDJ-HIFRSBDPSA-N 0 3 378.473 0.243 20 0 GCADHN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cn1 ZINC000432750989 1192662678 /nfs/dbraw/zinc/66/26/78/1192662678.db2.gz QPCLQGXXCQXEDA-QILLFSRXSA-N 0 3 377.489 0.649 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)N(C)C ZINC000418831496 1192659350 /nfs/dbraw/zinc/65/93/50/1192659350.db2.gz GKXFSTJKDQDFDB-BMFZPTHFSA-N 0 3 392.500 0.643 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000418833763 1192660090 /nfs/dbraw/zinc/66/00/90/1192660090.db2.gz NOPWIRSBNYHXKZ-SFHVURJKSA-N 0 3 388.512 0.954 20 0 GCADHN COc1ccc([C@@H](CNC(=O)C(=O)N2C[C@@H](C)N[C@@H](C)C2)N(C)C)cc1OC ZINC000418841982 1192663083 /nfs/dbraw/zinc/66/30/83/1192663083.db2.gz ZKQVKTKVDOSVQB-IJEWVQPXSA-N 0 3 392.500 0.632 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000418841902 1192663125 /nfs/dbraw/zinc/66/31/25/1192663125.db2.gz ZGKDIJCHEOSSJZ-CVEARBPZSA-N 0 3 396.532 0.367 20 0 GCADHN Cc1nc(CN2CCC(CNC(=O)C(=O)N3C[C@@H](C)NC[C@H]3C)CC2)oc1C ZINC000418851930 1192665844 /nfs/dbraw/zinc/66/58/44/1192665844.db2.gz GIGRSCLLZWGTHZ-ZIAGYGMSSA-N 0 3 391.516 0.828 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN(C(=O)C1CCC1)C1CC1 ZINC000418855872 1192668441 /nfs/dbraw/zinc/66/84/41/1192668441.db2.gz NKVKZSZRZBJZOS-BBRMVZONSA-N 0 3 394.516 0.513 20 0 GCADHN CCOc1cc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)ccc1OC ZINC000418870947 1192673714 /nfs/dbraw/zinc/67/37/14/1192673714.db2.gz QBGKUICIOCLONQ-GXTWGEPZSA-N 0 3 379.457 0.939 20 0 GCADHN COc1cc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc(S(C)(=O)=O)c1 ZINC000500632561 1192677247 /nfs/dbraw/zinc/67/72/47/1192677247.db2.gz KPLSAHHTRJAFBU-UHFFFAOYSA-N 0 3 383.470 0.590 20 0 GCADHN C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418911293 1192687802 /nfs/dbraw/zinc/68/78/02/1192687802.db2.gz CPRJOFRQSILHTG-YOEHRIQHSA-N 0 3 377.485 0.972 20 0 GCADHN COCCOc1ccccc1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000418921716 1192691694 /nfs/dbraw/zinc/69/16/94/1192691694.db2.gz JRCSYRGRIWHMAL-UKRRQHHQSA-N 0 3 379.457 0.557 20 0 GCADHN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418970171 1192706873 /nfs/dbraw/zinc/70/68/73/1192706873.db2.gz WKVVBWXVQSWGDE-XJKSGUPXSA-N 0 3 381.448 0.840 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1 ZINC000418970575 1192707467 /nfs/dbraw/zinc/70/74/67/1192707467.db2.gz WSKHETVDSAUJNV-QWHCGFSZSA-N 0 3 386.374 0.472 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1 ZINC000418970576 1192707569 /nfs/dbraw/zinc/70/75/69/1192707569.db2.gz WSKHETVDSAUJNV-STQMWFEESA-N 0 3 386.374 0.472 20 0 GCADHN CC(C)[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc2c(c1)OCCO2 ZINC000418981737 1192709495 /nfs/dbraw/zinc/70/94/95/1192709495.db2.gz GYODPBQTMCHGRL-RHSMWYFYSA-N 0 3 377.441 0.376 20 0 GCADHN Cc1n[nH]c(C)c1NC(=O)CNCC[C@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268386898 1192712588 /nfs/dbraw/zinc/71/25/88/1192712588.db2.gz MQVYIFQOQYWHBU-ZUSVWGPVSA-N 0 3 375.473 0.873 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000419019826 1192722766 /nfs/dbraw/zinc/72/27/66/1192722766.db2.gz DYHOOQLSTVXKIR-SWLSCSKDSA-N 0 3 389.431 0.857 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c(OC)c1 ZINC000419016945 1192723062 /nfs/dbraw/zinc/72/30/62/1192723062.db2.gz GFPWBUORJYJCCV-SWLSCSKDSA-N 0 3 379.457 0.592 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(OCC(F)(F)F)cc1 ZINC000419022810 1192724734 /nfs/dbraw/zinc/72/47/34/1192724734.db2.gz ISPSIAYEFVXDLF-RISCZKNCSA-N 0 3 389.374 0.910 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1 ZINC000419025917 1192727996 /nfs/dbraw/zinc/72/79/96/1192727996.db2.gz AXLUKDBIBLZBAY-HOTGVXAUSA-N 0 3 384.411 0.863 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000419046520 1192740554 /nfs/dbraw/zinc/74/05/54/1192740554.db2.gz YNTAWFAIOPWTFV-CQSZACIVSA-N 0 3 385.386 0.958 20 0 GCADHN O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)C(=O)N1CCCNCC1 ZINC000419047432 1192743092 /nfs/dbraw/zinc/74/30/92/1192743092.db2.gz SMKLJXAPEZMNGR-UHFFFAOYSA-N 0 3 389.452 0.402 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCc1ccccc1N1CCOCC1)c1ccccc1 ZINC000419050799 1192749569 /nfs/dbraw/zinc/74/95/69/1192749569.db2.gz ZHWVNCCEHJZTLA-GOSISDBHSA-N 0 3 382.464 0.956 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(N(C)C)c(F)c2)CC1=O ZINC000644894024 1192762269 /nfs/dbraw/zinc/76/22/69/1192762269.db2.gz CGSUMDGTNNALDK-OAHLLOKOSA-N 0 3 380.464 0.801 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)CC1=O ZINC000644894433 1192765216 /nfs/dbraw/zinc/76/52/16/1192765216.db2.gz ZNAJLBHZRLCQDS-LLVKDONJSA-N 0 3 391.394 0.348 20 0 GCADHN N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000237835115 1192765657 /nfs/dbraw/zinc/76/56/57/1192765657.db2.gz XMKDFEMHDQFBEA-FPOVZHCZSA-N 0 3 397.523 0.982 20 0 GCADHN N[C@H](CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccccc1 ZINC000237862216 1192767614 /nfs/dbraw/zinc/76/76/14/1192767614.db2.gz OGXPLSNKPXOLOS-GOSISDBHSA-N 0 3 380.448 0.965 20 0 GCADHN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1=O ZINC000419073419 1192769582 /nfs/dbraw/zinc/76/95/82/1192769582.db2.gz YGCAQVUACDGCOW-CVEARBPZSA-N 0 3 396.447 0.733 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000419073555 1192769721 /nfs/dbraw/zinc/76/97/21/1192769721.db2.gz MXNZGSOEFDQING-WCQYABFASA-N 0 3 379.413 0.140 20 0 GCADHN N[C@@H](CC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccccc1 ZINC000237875828 1192768394 /nfs/dbraw/zinc/76/83/94/1192768394.db2.gz RODDIMADORUTBJ-INIZCTEOSA-N 0 3 378.454 0.739 20 0 GCADHN O=C(NCCCO[C@H]1CCCc2ccccc21)C(=O)NC[C@@H]1CNCCO1 ZINC000419087923 1192780116 /nfs/dbraw/zinc/78/01/16/1192780116.db2.gz KAOMLFLYDDCFDG-WMZOPIPTSA-N 0 3 375.469 0.692 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCOC3CCCCCC3)C2)nn1 ZINC000419089150 1192781514 /nfs/dbraw/zinc/78/15/14/1192781514.db2.gz NSSOWOLSUUVZLR-INIZCTEOSA-N 0 3 392.504 0.756 20 0 GCADHN COC(=O)COc1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419085975 1192783257 /nfs/dbraw/zinc/78/32/57/1192783257.db2.gz DJNYVIXNZPYOSH-DOMZBBRYSA-N 0 3 393.440 0.084 20 0 GCADHN CC(C)n1cc2c(n1)C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000419094882 1192788254 /nfs/dbraw/zinc/78/82/54/1192788254.db2.gz JZPHOVOPTHHLBE-JGGQBBKZSA-N 0 3 377.489 0.667 20 0 GCADHN COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)OC(C)C ZINC000419103445 1192791144 /nfs/dbraw/zinc/79/11/44/1192791144.db2.gz GAHIXYRMWDZSTB-WMLDXEAASA-N 0 3 379.457 0.382 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCS[C@@H](C)[C@H]2C)CC1 ZINC000410654322 1192792901 /nfs/dbraw/zinc/79/29/01/1192792901.db2.gz PDXAAFKBYAEHCD-CABCVRRESA-N 0 3 384.546 0.351 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000419120193 1192793505 /nfs/dbraw/zinc/79/35/05/1192793505.db2.gz TUKLZBJYQUXEHC-WMLDXEAASA-N 0 3 385.468 0.760 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000419120197 1192793530 /nfs/dbraw/zinc/79/35/30/1192793530.db2.gz TUKLZBJYQUXEHC-YOEHRIQHSA-N 0 3 385.468 0.760 20 0 GCADHN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@H](CN)CC(C)C ZINC000419118258 1192801695 /nfs/dbraw/zinc/80/16/95/1192801695.db2.gz QYCYDDKEBCHVRA-GJZGRUSLSA-N 0 3 383.514 0.845 20 0 GCADHN Cc1cccc(C)c1CCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419128759 1192804160 /nfs/dbraw/zinc/80/41/60/1192804160.db2.gz BSSVXZOBDBAQOW-KRWDZBQOSA-N 0 3 384.484 0.876 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)C1=O ZINC000500814652 1192808585 /nfs/dbraw/zinc/80/85/85/1192808585.db2.gz RJCOXFVXRDDQFY-JKSUJKDBSA-N 0 3 376.457 0.753 20 0 GCADHN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)C(=O)N1CCCNCC1 ZINC000419135870 1192808683 /nfs/dbraw/zinc/80/86/83/1192808683.db2.gz NZQNGWZADJXSHC-UHFFFAOYSA-N 0 3 377.832 0.871 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000419154248 1192812017 /nfs/dbraw/zinc/81/20/17/1192812017.db2.gz QBCDPLVQJHBICU-WBVHZDCISA-N 0 3 399.495 0.971 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000419158366 1192817017 /nfs/dbraw/zinc/81/70/17/1192817017.db2.gz MUHACIXTBYQCEP-DZGCQCFKSA-N 0 3 397.497 0.196 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1F ZINC000419158246 1192816702 /nfs/dbraw/zinc/81/67/02/1192816702.db2.gz DOQGBTLJWDAWPD-WFASDCNBSA-N 0 3 394.447 0.209 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1F ZINC000419158244 1192816925 /nfs/dbraw/zinc/81/69/25/1192816925.db2.gz DOQGBTLJWDAWPD-IUODEOHRSA-N 0 3 394.447 0.209 20 0 GCADHN CCn1c(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)nc2ccccc21 ZINC000419164087 1192821751 /nfs/dbraw/zinc/82/17/51/1192821751.db2.gz YDDFYFMMEFEAEU-UKRRQHHQSA-N 0 3 387.484 0.944 20 0 GCADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)n2C ZINC000419165120 1192822217 /nfs/dbraw/zinc/82/22/17/1192822217.db2.gz FTNAABQOFHRVLF-FZMZJTMJSA-N 0 3 389.456 0.427 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000419168468 1192823115 /nfs/dbraw/zinc/82/31/15/1192823115.db2.gz KNRGEQXKSQVMKI-WFASDCNBSA-N 0 3 376.457 0.716 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000419167077 1192823610 /nfs/dbraw/zinc/82/36/10/1192823610.db2.gz CHQLESYVWBTFCP-CQDKDKBSSA-N 0 3 398.454 0.913 20 0 GCADHN CC[C@@H]1CCCCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410681532 1192823874 /nfs/dbraw/zinc/82/38/74/1192823874.db2.gz GKIMMHXAYLKEGD-IAGOWNOFSA-N 0 3 378.517 0.933 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000419176854 1192828481 /nfs/dbraw/zinc/82/84/81/1192828481.db2.gz CHFRQCQDKBZQIZ-CJNGLKHVSA-N 0 3 385.468 0.933 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000366471557 1192835059 /nfs/dbraw/zinc/83/50/59/1192835059.db2.gz BFMASCLMQNUZCN-AWEZNQCLSA-N 0 3 385.486 0.298 20 0 GCADHN COc1ccnc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3C(C)C)CC2)c1 ZINC000410698333 1192838229 /nfs/dbraw/zinc/83/82/29/1192838229.db2.gz NIXSEHLQUABISE-KRWDZBQOSA-N 0 3 389.500 0.537 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000893741319 1192848201 /nfs/dbraw/zinc/84/82/01/1192848201.db2.gz OIVKKGAIBJFGCN-SJORKVTESA-N 0 3 382.505 0.255 20 0 GCADHN CCn1cnnc1CNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000473268548 1192850383 /nfs/dbraw/zinc/85/03/83/1192850383.db2.gz JDUKOYYSOMUKNA-UHFFFAOYSA-N 0 3 385.472 0.695 20 0 GCADHN COC(=O)c1cccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419205548 1192850752 /nfs/dbraw/zinc/85/07/52/1192850752.db2.gz JCJKFZFIBDNUTC-SWLSCSKDSA-N 0 3 377.441 0.361 20 0 GCADHN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000893775978 1192852458 /nfs/dbraw/zinc/85/24/58/1192852458.db2.gz UHMQHZNMDNKPFY-MGPQQGTHSA-N 0 3 392.422 0.780 20 0 GCADHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cn1 ZINC000419206590 1192858598 /nfs/dbraw/zinc/85/85/98/1192858598.db2.gz NANAREJROFMWMO-DZGCQCFKSA-N 0 3 377.489 0.773 20 0 GCADHN C[C@@H]1CN(c2cc(C(N)=O)nc(N3C[C@@H](C)N(C)[C@@H](C)C3)n2)C[C@H](C)N1C ZINC000893991575 1192887160 /nfs/dbraw/zinc/88/71/60/1192887160.db2.gz RVBSBYFIAFWRHM-NMWPEEMBSA-N 0 3 375.521 0.633 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](CO)OC[C@H]3C)c2)CC1 ZINC000473408909 1192891060 /nfs/dbraw/zinc/89/10/60/1192891060.db2.gz QRDGQAMTNYANJI-CRAIPNDOSA-N 0 3 390.484 0.375 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](COC)OC)c2)CC1 ZINC000473417933 1192892579 /nfs/dbraw/zinc/89/25/79/1192892579.db2.gz CVWSFOBNWKFVPI-KRWDZBQOSA-N 0 3 378.473 0.545 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](CO)CCSC)c2)CC1 ZINC000473427546 1192895796 /nfs/dbraw/zinc/89/57/96/1192895796.db2.gz KGQIUTZYPMSZQW-INIZCTEOSA-N 0 3 394.541 0.997 20 0 GCADHN CCOC(=O)C1CCC(N(CC)C(=O)C(=O)N2CCO[C@H](CN(C)C)C2)CC1 ZINC000410800723 1192904042 /nfs/dbraw/zinc/90/40/42/1192904042.db2.gz RKUXCLBBZHNJSF-OFLPRAFFSA-N 0 3 397.516 0.746 20 0 GCADHN O=C(CNC(=O)NCCCCN1CCN(CCO)CC1)NC1CCCCC1 ZINC000512579112 1192910538 /nfs/dbraw/zinc/91/05/38/1192910538.db2.gz UXSUIIOUQUQRTA-UHFFFAOYSA-N 0 3 383.537 0.125 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1ccccc1N ZINC000614131485 1192912727 /nfs/dbraw/zinc/91/27/27/1192912727.db2.gz YHPBVXFBXOHBJQ-AWEZNQCLSA-N 0 3 396.513 0.259 20 0 GCADHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000614130074 1192913982 /nfs/dbraw/zinc/91/39/82/1192913982.db2.gz JUMBLQLDPDZWJP-WMLDXEAASA-N 0 3 387.546 0.805 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C(C)(C)C(=O)OC)CC1 ZINC000410947887 1192918932 /nfs/dbraw/zinc/91/89/32/1192918932.db2.gz RZBIFOSBCGPOEK-CVEARBPZSA-N 0 3 394.516 0.167 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000410972644 1192921421 /nfs/dbraw/zinc/92/14/21/1192921421.db2.gz HREYDHPJDGJVIO-DLBZAZTESA-N 0 3 380.533 0.356 20 0 GCADHN CCC[C@@]1(CO)CCCN1C(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000410994621 1192924780 /nfs/dbraw/zinc/92/47/80/1192924780.db2.gz ZIIPCIKBHIHCQW-FQEVSTJZSA-N 0 3 390.484 0.892 20 0 GCADHN COC(=O)COc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000274490658 1184075287 /nfs/dbraw/zinc/07/52/87/1184075287.db2.gz SIWYREZYEMCYDP-HUUCEWRRSA-N 0 3 391.468 0.968 20 0 GCADHN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000153831069 1184076662 /nfs/dbraw/zinc/07/66/62/1184076662.db2.gz GWOWLUYWGUSCOC-UHFFFAOYSA-N 0 3 380.470 0.727 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000274506949 1184080291 /nfs/dbraw/zinc/08/02/91/1184080291.db2.gz VYMDVXBYGWVFIS-UHFFFAOYSA-N 0 3 399.451 0.703 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@]3(O)CCOC3)c2)CC1 ZINC000274512809 1184082028 /nfs/dbraw/zinc/08/20/28/1184082028.db2.gz LUDFENJQKRVBPC-LJQANCHMSA-N 0 3 376.457 0.035 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000274512395 1184082697 /nfs/dbraw/zinc/08/26/97/1184082697.db2.gz WVQUPKBARXRZMZ-UHFFFAOYSA-N 0 3 390.484 0.728 20 0 GCADHN COC(=O)c1ccc(F)c(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000274546010 1184093723 /nfs/dbraw/zinc/09/37/23/1184093723.db2.gz SYCOPIVZXKTDJL-ZDUSSCGKSA-N 0 3 394.447 0.693 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cn1 ZINC000274562719 1184100358 /nfs/dbraw/zinc/10/03/58/1184100358.db2.gz XOWSJMPAINLFIS-HNNXBMFYSA-N 0 3 377.489 0.950 20 0 GCADHN CCS(=O)(=O)N[C@H](C)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000646875891 1184101217 /nfs/dbraw/zinc/10/12/17/1184101217.db2.gz SUXUXMCAKVLOAV-CQSZACIVSA-N 0 3 383.514 0.587 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116833325 1184111697 /nfs/dbraw/zinc/11/16/97/1184111697.db2.gz BSEOWWMLPDGOTK-QGZVFWFLSA-N 0 3 394.541 0.739 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C ZINC000274594724 1184113881 /nfs/dbraw/zinc/11/38/81/1184113881.db2.gz VRRCRYURWDAJTC-GOSISDBHSA-N 0 3 395.500 0.889 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000274603782 1184116072 /nfs/dbraw/zinc/11/60/72/1184116072.db2.gz XLWQBSXDYCHBSM-IXDOHACOSA-N 0 3 379.501 0.783 20 0 GCADHN CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000654738626 1184117289 /nfs/dbraw/zinc/11/72/89/1184117289.db2.gz STZWJFBVYHIZOS-VYDXJSESSA-N 0 3 399.488 0.550 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000274605880 1184118364 /nfs/dbraw/zinc/11/83/64/1184118364.db2.gz MJSPBMJIZGKUKQ-XOBRGWDASA-N 0 3 387.484 0.497 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCC[C@H]3Cc3ccccc3)CCN2C1=O ZINC000579735406 1184121830 /nfs/dbraw/zinc/12/18/30/1184121830.db2.gz AIZOIWHLLNLZNE-MANSERQUSA-N 0 3 398.507 0.675 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000274626052 1184125448 /nfs/dbraw/zinc/12/54/48/1184125448.db2.gz RFTIORDENSJPLJ-KBRIMQKVSA-N 0 3 392.525 0.833 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C3CCN(S(N)(=O)=O)CC3)c2)CC1 ZINC000274631791 1184131551 /nfs/dbraw/zinc/13/15/51/1184131551.db2.gz SHCBDZJOZKRQGG-UHFFFAOYSA-N 0 3 395.529 0.683 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000274634305 1184132469 /nfs/dbraw/zinc/13/24/69/1184132469.db2.gz ISHWZNKMASHULT-CQSZACIVSA-N 0 3 386.518 0.611 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000274644791 1184140991 /nfs/dbraw/zinc/14/09/91/1184140991.db2.gz KKSYBPJFPYSKAP-RDJZCZTQSA-N 0 3 384.427 0.850 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000274644935 1184141970 /nfs/dbraw/zinc/14/19/70/1184141970.db2.gz KLQGBHOLFXCZLN-CQSZACIVSA-N 0 3 386.518 0.611 20 0 GCADHN CCN(CCO)CCNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000274653602 1184150091 /nfs/dbraw/zinc/15/00/91/1184150091.db2.gz LWOZNYIKVOEINC-UHFFFAOYSA-N 0 3 378.473 0.272 20 0 GCADHN Cc1nn(CC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c(=O)n1C ZINC000654814885 1184153148 /nfs/dbraw/zinc/15/31/48/1184153148.db2.gz CXGTZDKOPRIRDM-UHFFFAOYSA-N 0 3 391.447 0.689 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000616374569 1184154836 /nfs/dbraw/zinc/15/48/36/1184154836.db2.gz DSBONPIVJXNJST-UHFFFAOYSA-N 0 3 387.488 0.704 20 0 GCADHN Cn1cc(N2CCC[C@H](N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001020406303 1184155928 /nfs/dbraw/zinc/15/59/28/1184155928.db2.gz QJEVTWYFXRBMOR-LRJIBBRZSA-N 0 3 399.495 0.576 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000547633443 1184174739 /nfs/dbraw/zinc/17/47/39/1184174739.db2.gz GEUCCYIREFLSAK-KRWDZBQOSA-N 0 3 393.532 0.629 20 0 GCADHN CCN(CCO)CCNC(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 ZINC000274686002 1184182799 /nfs/dbraw/zinc/18/27/99/1184182799.db2.gz SVAGHITUDZWBSX-UHFFFAOYSA-N 0 3 391.516 0.469 20 0 GCADHN C[C@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)[C@H](c1ccccc1)N(C)C ZINC000274697478 1184193062 /nfs/dbraw/zinc/19/30/62/1184193062.db2.gz MUDPUDDPYQOIBN-MAUKXSAKSA-N 0 3 382.530 0.371 20 0 GCADHN C[C@@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)[C@H](c1ccccc1)N(C)C ZINC000274697477 1184193197 /nfs/dbraw/zinc/19/31/97/1184193197.db2.gz MUDPUDDPYQOIBN-CRAIPNDOSA-N 0 3 382.530 0.371 20 0 GCADHN Cc1cc(NC(=O)CSCC(=O)N[C@H](C)CCN2CCN(C)CC2)no1 ZINC000274704737 1184203966 /nfs/dbraw/zinc/20/39/66/1184203966.db2.gz ZMSUEJWUGBNHBT-CYBMUJFWSA-N 0 3 383.518 0.797 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCc2c(nnn2C)C1 ZINC000654911053 1184206881 /nfs/dbraw/zinc/20/68/81/1184206881.db2.gz KHVYOAFYZAGGMB-CYBMUJFWSA-N 0 3 386.456 0.498 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1=O ZINC000430179084 1184211538 /nfs/dbraw/zinc/21/15/38/1184211538.db2.gz NJWRFUBAPIQMBF-SYNHAJSKSA-N 0 3 377.460 0.818 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cn1 ZINC000654945566 1184217814 /nfs/dbraw/zinc/21/78/14/1184217814.db2.gz CDSCNDNFBNMCQH-LSDHHAIUSA-N 0 3 376.461 0.043 20 0 GCADHN O=C(Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654948691 1184219888 /nfs/dbraw/zinc/21/98/88/1184219888.db2.gz FPFFOXDOUMQAQQ-NUJGCVRESA-N 0 3 386.452 0.983 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654946261 1184221459 /nfs/dbraw/zinc/22/14/59/1184221459.db2.gz IIDRMCHKKZJJDG-QWHCGFSZSA-N 0 3 376.461 0.623 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000654946359 1184221566 /nfs/dbraw/zinc/22/15/66/1184221566.db2.gz JHYBTSZGNFZGFH-IRXDYDNUSA-N 0 3 388.468 0.883 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000654946358 1184221913 /nfs/dbraw/zinc/22/19/13/1184221913.db2.gz JHYBTSZGNFZGFH-IAGOWNOFSA-N 0 3 388.468 0.883 20 0 GCADHN O=C(Nc1ccnn1-c1ccncc1)C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000654967000 1184229120 /nfs/dbraw/zinc/22/91/20/1184229120.db2.gz XRUGKEMWLBWIOP-MRXNPFEDSA-N 0 3 398.467 0.919 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](O)C1)N1CCCCC1 ZINC000969305428 1184248983 /nfs/dbraw/zinc/24/89/83/1184248983.db2.gz JMRMBXPYQLSGMG-WOYCLPQFSA-N 0 3 393.528 0.898 20 0 GCADHN COc1cccc([C@]2(C)NC(=O)N(NC(=S)NC3CCN(C)CC3)C2=O)c1 ZINC000063144022 1184250467 /nfs/dbraw/zinc/25/04/67/1184250467.db2.gz LFDSJYZCONVUNW-SFHVURJKSA-N 0 3 391.497 0.936 20 0 GCADHN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC[C@@]1(O)CN3CCC1CC3)C2=O ZINC000655073442 1184276305 /nfs/dbraw/zinc/27/63/05/1184276305.db2.gz BQXKGSWTUWHFGF-ARGWCVDVSA-N 0 3 392.500 0.306 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000655073690 1184276372 /nfs/dbraw/zinc/27/63/72/1184276372.db2.gz BBXXQSLPQBGCRZ-BUXKBTBVSA-N 0 3 379.407 0.891 20 0 GCADHN COCCn1cc(N2C[C@@H](C(=O)N3[C@@H]4CC[C@H]3CCN(C)C4)CC2=O)cn1 ZINC000655090405 1184281302 /nfs/dbraw/zinc/28/13/02/1184281302.db2.gz LYLFHZKOXLEQPM-HRCADAONSA-N 0 3 375.473 0.578 20 0 GCADHN CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000683219986 1184301823 /nfs/dbraw/zinc/30/18/23/1184301823.db2.gz IPUZKMQRMKKRSM-QZTJIDSGSA-N 0 3 395.525 0.818 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@@H]1O ZINC000969417936 1184303305 /nfs/dbraw/zinc/30/33/05/1184303305.db2.gz ASZRPZHHAAGTKE-JFTQMJAMSA-N 0 3 386.427 0.891 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](c3cccnc3)C2)CC1 ZINC000579835334 1184306858 /nfs/dbraw/zinc/30/68/58/1184306858.db2.gz UGWFOPAEUVWLQX-HKUYNNGSSA-N 0 3 387.528 0.787 20 0 GCADHN COc1ncc(CN[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)c(C)n1 ZINC000969431858 1184310622 /nfs/dbraw/zinc/31/06/22/1184310622.db2.gz NOGJPSJVHHDILV-VVLHAWIVSA-N 0 3 376.457 0.536 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)CCS2 ZINC000890601827 1184319750 /nfs/dbraw/zinc/31/97/50/1184319750.db2.gz FLTRNAXURACPJF-PPXVZNSRSA-N 0 3 397.541 0.730 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H]1O)N1CCCC1 ZINC000969508794 1184332931 /nfs/dbraw/zinc/33/29/31/1184332931.db2.gz QQESIGAOSIFDSG-FPCVCCKLSA-N 0 3 375.469 0.945 20 0 GCADHN CC(C)C[C@@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000655300496 1184363287 /nfs/dbraw/zinc/36/32/87/1184363287.db2.gz NWGJHNPKLZTRJN-DAYGRLMNSA-N 0 3 385.464 0.975 20 0 GCADHN Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@@H]1O ZINC000969650503 1184372645 /nfs/dbraw/zinc/37/26/45/1184372645.db2.gz YVHGXBRRVGURFE-ANQUJSFKSA-N 0 3 389.500 0.086 20 0 GCADHN C[C@@H](c1cccnc1)N1C(=O)C[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000066585297 1184375775 /nfs/dbraw/zinc/37/57/75/1184375775.db2.gz DNBBQVLTFZJAFF-FUHWJXTLSA-N 0 3 399.495 0.510 20 0 GCADHN COCc1noc(CN2CCN(C(=O)N[C@H]3CN(C4CC4)C[C@H]3C)CC2)n1 ZINC000547707016 1184380515 /nfs/dbraw/zinc/38/05/15/1184380515.db2.gz NEAFBPJZHKIXSP-HIFRSBDPSA-N 0 3 378.477 0.526 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)C1 ZINC000430256566 1184387374 /nfs/dbraw/zinc/38/73/74/1184387374.db2.gz JEWFKMJCDHYBOV-FQEVSTJZSA-N 0 3 380.533 0.845 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(CC(=O)NCc2cc(OC)c(OC)cc2OC)C1 ZINC000430257029 1184391003 /nfs/dbraw/zinc/39/10/03/1184391003.db2.gz ZLYBBJIPQSOCGA-IBGZPJMESA-N 0 3 379.457 0.787 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccnn2Cc2ccccc2)CC1 ZINC000154426281 1184395450 /nfs/dbraw/zinc/39/54/50/1184395450.db2.gz BIQXMXAFDFNPLJ-UHFFFAOYSA-N 0 3 384.484 0.624 20 0 GCADHN CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000274852001 1184404022 /nfs/dbraw/zinc/40/40/22/1184404022.db2.gz RPHOGXJQIWPXMI-UHFFFAOYSA-N 0 3 392.525 0.811 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000533446561 1184409510 /nfs/dbraw/zinc/40/95/10/1184409510.db2.gz QCCJUMBTVHPDFM-UHFFFAOYSA-N 0 3 393.513 0.748 20 0 GCADHN CNC(=O)[C@]1(C)CCN([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430269356 1184420583 /nfs/dbraw/zinc/42/05/83/1184420583.db2.gz NZNSEFFUHBXXOZ-VBKZILBWSA-N 0 3 375.469 0.963 20 0 GCADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000246116844 1184465402 /nfs/dbraw/zinc/46/54/02/1184465402.db2.gz ACRGXMVHSOTVES-BRWVUGGUSA-N 0 3 377.533 0.950 20 0 GCADHN CN1CCN(Cc2cccc(C(=O)N3CCC[C@H](N4CCNCC4=O)C3)c2)CC1 ZINC000275039617 1184470245 /nfs/dbraw/zinc/47/02/45/1184470245.db2.gz YCOCXBXDFQCJCH-FQEVSTJZSA-N 0 3 399.539 0.470 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000547748375 1184471529 /nfs/dbraw/zinc/47/15/29/1184471529.db2.gz RSGHRRFVESQXJA-ZFWWWQNUSA-N 0 3 399.561 0.940 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2c3c(nn2C)CCC3)CC1 ZINC000535627996 1184476150 /nfs/dbraw/zinc/47/61/50/1184476150.db2.gz ZHBGCJMPMJYFIA-UHFFFAOYSA-N 0 3 377.489 0.853 20 0 GCADHN C[C@@H](C(=O)NC(N)=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000471235110 1184491679 /nfs/dbraw/zinc/49/16/79/1184491679.db2.gz NRGIQCHSOGUZIZ-HNNXBMFYSA-N 0 3 389.500 0.530 20 0 GCADHN COCCN1C[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1=O ZINC000535632101 1184504720 /nfs/dbraw/zinc/50/47/20/1184504720.db2.gz OEOFKJVTFSPIQF-QRVBRYPASA-N 0 3 389.496 0.481 20 0 GCADHN COCCN1C[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1=O ZINC000535632075 1184506610 /nfs/dbraw/zinc/50/66/10/1184506610.db2.gz OEOFKJVTFSPIQF-CEXWTWQISA-N 0 3 389.496 0.481 20 0 GCADHN CCN1CCN(CC(=O)N(CCCc2ccccc2)CCN(C)C)C(=O)C1=O ZINC000066946129 1184506863 /nfs/dbraw/zinc/50/68/63/1184506863.db2.gz PXWIKONXQNQIKT-UHFFFAOYSA-N 0 3 388.512 0.700 20 0 GCADHN Cc1c([C@@H]2[C@@H](C(=O)NCCCCN3CCN(C)CC3)CC(=O)N2C)cnn1C ZINC000683303875 1184514596 /nfs/dbraw/zinc/51/45/96/1184514596.db2.gz NGOQKBYRTNKHBB-LPHOPBHVSA-N 0 3 390.532 0.392 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000625240246 1184516553 /nfs/dbraw/zinc/51/65/53/1184516553.db2.gz DKXSDYXNVBCRNY-IBGZPJMESA-N 0 3 398.507 0.915 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1=O ZINC000651957979 1184525913 /nfs/dbraw/zinc/52/59/13/1184525913.db2.gz WIFQXCQQPVDXRB-UHFFFAOYSA-N 0 3 398.507 0.835 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)CC1=O ZINC000275149365 1184535294 /nfs/dbraw/zinc/53/52/94/1184535294.db2.gz RTEAERATDMWXBC-CYBMUJFWSA-N 0 3 395.891 0.910 20 0 GCADHN CCOc1cc2c(cc1NC(=O)C(=O)N(CCOC)CCN(C)C)OCCO2 ZINC000275214657 1184554555 /nfs/dbraw/zinc/55/45/55/1184554555.db2.gz CMECITXTQPNJBW-UHFFFAOYSA-N 0 3 395.456 0.832 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000430307681 1184564710 /nfs/dbraw/zinc/56/47/10/1184564710.db2.gz VSHPDRKULJECBF-GOEBONIOSA-N 0 3 377.441 0.196 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000430307682 1184564876 /nfs/dbraw/zinc/56/48/76/1184564876.db2.gz VSHPDRKULJECBF-HOCLYGCPSA-N 0 3 377.441 0.196 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275258918 1184568570 /nfs/dbraw/zinc/56/85/70/1184568570.db2.gz IFSHVGVCSBYVIE-DLBZAZTESA-N 0 3 375.473 0.053 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275258920 1184568619 /nfs/dbraw/zinc/56/86/19/1184568619.db2.gz IFSHVGVCSBYVIE-IAGOWNOFSA-N 0 3 375.473 0.053 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCN(c3ccc(C#N)nc3)CC2)n1 ZINC000288337164 1184584031 /nfs/dbraw/zinc/58/40/31/1184584031.db2.gz FIUYIJNXBURNHN-UHFFFAOYSA-N 0 3 383.460 0.689 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C[C@@H](C)O1 ZINC000275285887 1184584476 /nfs/dbraw/zinc/58/44/76/1184584476.db2.gz LVBCUTWRPFRVQU-DTTOXWODSA-N 0 3 390.484 0.963 20 0 GCADHN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651958742 1184585113 /nfs/dbraw/zinc/58/51/13/1184585113.db2.gz PZAXHJCVNNQBII-UHFFFAOYSA-N 0 3 396.875 0.828 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)CC1 ZINC000646902271 1184588885 /nfs/dbraw/zinc/58/88/85/1184588885.db2.gz YLRKFWSBISKXCJ-NVXWUHKLSA-N 0 3 388.578 0.483 20 0 GCADHN CCN1CCN(CC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C(=O)C1=O ZINC000155238971 1184594035 /nfs/dbraw/zinc/59/40/35/1184594035.db2.gz JFJBECLLQAWXGB-QGZVFWFLSA-N 0 3 386.496 0.800 20 0 GCADHN Cc1c([C@H]2OCC[C@@H]2C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cnn1C ZINC000275314022 1184599330 /nfs/dbraw/zinc/59/93/30/1184599330.db2.gz OAQOXWHHUAUJGA-JQHSSLGASA-N 0 3 391.516 0.865 20 0 GCADHN CC(C)CNC(=O)NC(=O)CN[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001266421184 1184610907 /nfs/dbraw/zinc/61/09/07/1184610907.db2.gz OWONNQOZALOIAE-IDUQQSTBSA-N 0 3 392.500 0.376 20 0 GCADHN COCCN1CCC(NC(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000140356428 1184619069 /nfs/dbraw/zinc/61/90/69/1184619069.db2.gz JWKLBCNYSMFDBP-UHFFFAOYSA-N 0 3 398.529 0.516 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC ZINC000275379899 1184642937 /nfs/dbraw/zinc/64/29/37/1184642937.db2.gz WRJAWAOOABMQQS-UHFFFAOYSA-N 0 3 376.457 0.619 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000748105959 1184644281 /nfs/dbraw/zinc/64/42/81/1184644281.db2.gz FWNSFZLQJAUUQL-KRWDZBQOSA-N 0 3 396.513 0.222 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1(C)C ZINC000275384349 1184646438 /nfs/dbraw/zinc/64/64/38/1184646438.db2.gz AEMSHIXAFASGDT-UZLBHIALSA-N 0 3 375.517 0.982 20 0 GCADHN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000275418922 1184660747 /nfs/dbraw/zinc/66/07/47/1184660747.db2.gz MDQBDHJTVFWBGO-UHFFFAOYSA-N 0 3 376.457 0.890 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2O1 ZINC000683410900 1184665787 /nfs/dbraw/zinc/66/57/87/1184665787.db2.gz CEUVYSMETMUQFM-CABCVRRESA-N 0 3 381.498 0.461 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2COC)CC1 ZINC000510254152 1184668264 /nfs/dbraw/zinc/66/82/64/1184668264.db2.gz NPQJVGVAHBGIQK-UHFFFAOYSA-N 0 3 390.484 0.784 20 0 GCADHN CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N(C)CCN(C)C)c2)CC1 ZINC000275450100 1184673380 /nfs/dbraw/zinc/67/33/80/1184673380.db2.gz SGCGLNMNUDVXHQ-UHFFFAOYSA-N 0 3 389.500 0.309 20 0 GCADHN COCCN1C(=O)CCc2cc(NC(=O)C(=O)N(C)CCN(C)C)ccc21 ZINC000275455242 1184675408 /nfs/dbraw/zinc/67/54/08/1184675408.db2.gz UAYYYSXZBRSXHX-UHFFFAOYSA-N 0 3 376.457 0.571 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CC1 ZINC000275462109 1184678673 /nfs/dbraw/zinc/67/86/73/1184678673.db2.gz MYMAVHZIMIKRRM-UHFFFAOYSA-N 0 3 376.457 0.156 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000275464426 1184678817 /nfs/dbraw/zinc/67/88/17/1184678817.db2.gz VZZCCUQMZNSPPP-UHFFFAOYSA-N 0 3 396.513 0.820 20 0 GCADHN CCO[C@H]1C[C@@](CO)(NCC(=O)NCc2ccc(OCC(N)=O)cc2)C1(C)C ZINC000275500009 1184689469 /nfs/dbraw/zinc/68/94/69/1184689469.db2.gz GQZGZLQLGCYMPG-JXFKEZNVSA-N 0 3 393.484 0.323 20 0 GCADHN C[C@H]1CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CCN1CC(C)(C)O ZINC000275525745 1184698733 /nfs/dbraw/zinc/69/87/33/1184698733.db2.gz JTGWVADBSPMTDX-LSDHHAIUSA-N 0 3 375.469 0.421 20 0 GCADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000430425664 1184718225 /nfs/dbraw/zinc/71/82/25/1184718225.db2.gz OKIZXNOHNSQKPY-HZPDHXFCSA-N 0 3 381.521 0.581 20 0 GCADHN CCN(C[C@H](O)C(F)(F)F)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000430429377 1184725014 /nfs/dbraw/zinc/72/50/14/1184725014.db2.gz WWGFSVRPFOVKQF-OLZOCXBDSA-N 0 3 382.427 0.884 20 0 GCADHN CC(C)[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1nncn1C ZINC000332912428 1184746708 /nfs/dbraw/zinc/74/67/08/1184746708.db2.gz SHMNPYHJFAOCSM-HUUCEWRRSA-N 0 3 377.493 0.460 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000332959719 1184747974 /nfs/dbraw/zinc/74/79/74/1184747974.db2.gz CQDUPAQERXLHOO-WMZOPIPTSA-N 0 3 399.495 0.740 20 0 GCADHN COc1cccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1OC ZINC000579933599 1184748925 /nfs/dbraw/zinc/74/89/25/1184748925.db2.gz JJDYFOFDTXYZHZ-JSGCOSHPSA-N 0 3 379.457 0.592 20 0 GCADHN CC1(C)CCCN(CCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000683550458 1184758158 /nfs/dbraw/zinc/75/81/58/1184758158.db2.gz FDIJHUZPZRZYMS-UHFFFAOYSA-N 0 3 392.504 0.985 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(F)c2F)CC1 ZINC000510282085 1184761146 /nfs/dbraw/zinc/76/11/46/1184761146.db2.gz NBRMNAWBRYDOBJ-UHFFFAOYSA-N 0 3 382.411 0.916 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CN(C)C(=O)[C@H]1C)c1cccc(OC)c1 ZINC000646976362 1184771340 /nfs/dbraw/zinc/77/13/40/1184771340.db2.gz BKAMUMPZZARCFE-RHSMWYFYSA-N 0 3 390.484 0.841 20 0 GCADHN COc1ccccc1CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668374829 1184780344 /nfs/dbraw/zinc/78/03/44/1184780344.db2.gz PAYHDPMDWBRMML-QGZVFWFLSA-N 0 3 375.469 0.723 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3cn[nH]c3)n2CC2CC2)CC1 ZINC000625306024 1184781034 /nfs/dbraw/zinc/78/10/34/1184781034.db2.gz HXURSENYYABGKK-INIZCTEOSA-N 0 3 384.488 0.821 20 0 GCADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N(CCO)CCN1CCOCC1 ZINC000121499634 1184789055 /nfs/dbraw/zinc/78/90/55/1184789055.db2.gz BZUFJXVDYCOKDY-FQEVSTJZSA-N 0 3 390.528 0.987 20 0 GCADHN O=C(NCCCN1CCN(c2ncccn2)CC1)[C@H]1NCCc2ccccc21 ZINC000238041661 1184791115 /nfs/dbraw/zinc/79/11/15/1184791115.db2.gz ONLQUXUGSYRJFB-IBGZPJMESA-N 0 3 380.496 0.992 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000647076432 1184812221 /nfs/dbraw/zinc/81/22/21/1184812221.db2.gz QVTKSBUPUFQXHG-LLVKDONJSA-N 0 3 377.470 0.946 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)c2ccncc21 ZINC000275613180 1184822239 /nfs/dbraw/zinc/82/22/39/1184822239.db2.gz UIBCNPWMHKOFLM-UHFFFAOYSA-N 0 3 396.494 0.977 20 0 GCADHN CN1CCN([C@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c2ccccc2)CC1 ZINC000579956549 1184823840 /nfs/dbraw/zinc/82/38/40/1184823840.db2.gz LYVWHBCGQFLYPH-UXHICEINSA-N 0 3 397.527 0.889 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000891040957 1184862386 /nfs/dbraw/zinc/86/23/86/1184862386.db2.gz BNVCHWDSKBFBPN-IYBDPMFKSA-N 0 3 388.468 0.632 20 0 GCADHN CN(C)CCSc1nc(CC(=O)NCC(C)(C)CS(N)(=O)=O)cs1 ZINC001648870387 1184869237 /nfs/dbraw/zinc/86/92/37/1184869237.db2.gz OENRBJPXUQJDTG-UHFFFAOYSA-N 0 3 394.588 0.770 20 0 GCADHN CN(C)S(=O)(=O)C1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000891052205 1184875431 /nfs/dbraw/zinc/87/54/31/1184875431.db2.gz QNPDXJHVNPJZTI-UHFFFAOYSA-N 0 3 388.534 0.164 20 0 GCADHN CCN1CCN(CCCNC(=O)c2nnn(Cc3cc(C)no3)c2C)CC1 ZINC000292407173 1184901543 /nfs/dbraw/zinc/90/15/43/1184901543.db2.gz YSUNAGAUJAURHI-UHFFFAOYSA-N 0 3 375.477 0.689 20 0 GCADHN O=C(NCCN1CCNC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000891079833 1184912757 /nfs/dbraw/zinc/91/27/57/1184912757.db2.gz OYUMHNUCQNRDKJ-DLBZAZTESA-N 0 3 375.473 0.194 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN(C[C@H]2CCOC2)C2CC2)cc1 ZINC000047405665 1184918770 /nfs/dbraw/zinc/91/87/70/1184918770.db2.gz KCVWRHPUIDVXMP-OAHLLOKOSA-N 0 3 381.498 0.494 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCc3ccncc3)ccc2oc1=O ZINC000275693904 1184938091 /nfs/dbraw/zinc/93/80/91/1184938091.db2.gz KULNNVFHGFATMN-UHFFFAOYSA-N 0 3 397.435 0.849 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000275705887 1184946684 /nfs/dbraw/zinc/94/66/84/1184946684.db2.gz LMYARQXDYBAUDH-UHFFFAOYSA-N 0 3 376.457 0.312 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)NCc2cccnc2N2CCN(C)CC2)C1(C)C ZINC000275717666 1184961347 /nfs/dbraw/zinc/96/13/47/1184961347.db2.gz VOGNAKNRTOEHOG-JXFKEZNVSA-N 0 3 375.517 0.982 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2cccnc2N2CCN(C)CC2)C1(C)C ZINC000275717668 1184961362 /nfs/dbraw/zinc/96/13/62/1184961362.db2.gz VOGNAKNRTOEHOG-OXQOHEQNSA-N 0 3 375.517 0.982 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)NCc3nnc4n3CCNC4=O)c2)CC1 ZINC001670467852 1184961856 /nfs/dbraw/zinc/96/18/56/1184961856.db2.gz BSSAXLKRIXBKCP-UHFFFAOYSA-N 0 3 398.471 0.485 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c(C)c1 ZINC000656026369 1184963106 /nfs/dbraw/zinc/96/31/06/1184963106.db2.gz FTKVUEATGONHKD-MRXNPFEDSA-N 0 3 385.472 0.271 20 0 GCADHN COC(=O)[C@H]1COCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000471501972 1184987674 /nfs/dbraw/zinc/98/76/74/1184987674.db2.gz ZKZQPGXIRZYCBX-GOSISDBHSA-N 0 3 375.469 0.989 20 0 GCADHN CN1CCN(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1=O ZINC000548032001 1184993506 /nfs/dbraw/zinc/99/35/06/1184993506.db2.gz FWTUAQZZLYIOSF-UHFFFAOYSA-N 0 3 376.526 0.990 20 0 GCADHN CN1CCN(CC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)CC1=O ZINC000548037214 1185000586 /nfs/dbraw/zinc/00/05/86/1185000586.db2.gz IFYOELJIYJIJMZ-UHFFFAOYSA-N 0 3 380.533 0.690 20 0 GCADHN COC[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H]1CCCOC1 ZINC000891179575 1185011920 /nfs/dbraw/zinc/01/19/20/1185011920.db2.gz YTZCCPVIKZSVPT-ULQDDVLXSA-N 0 3 382.505 0.376 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](COC)[C@H]2CCCOC2)CC1 ZINC000891182150 1185018554 /nfs/dbraw/zinc/01/85/54/1185018554.db2.gz CJJKBCFMMYZSDX-IRXDYDNUSA-N 0 3 384.521 0.624 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000656084005 1185022534 /nfs/dbraw/zinc/02/25/34/1185022534.db2.gz RNGJFEPXBAAMOL-UHFFFAOYSA-N 0 3 393.517 0.696 20 0 GCADHN COc1ccc2c(c1)CN(C(=O)C(=O)N1CCC[C@H](n3cc(CN)nn3)C1)C2 ZINC000656104145 1185031478 /nfs/dbraw/zinc/03/14/78/1185031478.db2.gz INBKVVTYCPIXOV-INIZCTEOSA-N 0 3 384.440 0.451 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)[C@@H]2C1 ZINC000580067389 1185041587 /nfs/dbraw/zinc/04/15/87/1185041587.db2.gz NALZREAWQXCIRW-SUMWQHHRSA-N 0 3 395.463 0.834 20 0 GCADHN COc1ccc(C(C)(C)CN[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000123978670 1185051349 /nfs/dbraw/zinc/05/13/49/1185051349.db2.gz RBNDQDPTBHTYTH-GFCCVEGCSA-N 0 3 388.468 0.813 20 0 GCADHN O=C(COc1ccccc1CNC(=O)[C@H]1C[C@H](F)CN1)NC[C@@H]1CCCO1 ZINC000275797003 1185070997 /nfs/dbraw/zinc/07/09/97/1185070997.db2.gz WDGGKBLYDPKVFH-HRCADAONSA-N 0 3 379.432 0.677 20 0 GCADHN CN[C@@H](C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1cnn(C)c1 ZINC000580189085 1185113567 /nfs/dbraw/zinc/11/35/67/1185113567.db2.gz GKORWCIGDYBKCT-QGZVFWFLSA-N 0 3 378.521 0.424 20 0 GCADHN O=C(CCN1C(=O)CCC1=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000047459934 1185125140 /nfs/dbraw/zinc/12/51/40/1185125140.db2.gz SIKQDDNMMRPOJR-UHFFFAOYSA-N 0 3 386.496 0.850 20 0 GCADHN COCCN1CC[C@H](NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)C1 ZINC000580262942 1185133503 /nfs/dbraw/zinc/13/35/03/1185133503.db2.gz WHVSYTSREJXMOJ-FUHWJXTLSA-N 0 3 391.516 0.854 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCC2)c2ccccc2O1 ZINC000070965767 1185145988 /nfs/dbraw/zinc/14/59/88/1185145988.db2.gz IKHRZUWERVFOCB-BBRMVZONSA-N 0 3 375.425 0.554 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)c2ccccc2O1 ZINC000071007962 1185156225 /nfs/dbraw/zinc/15/62/25/1185156225.db2.gz FGFYXWRKGBUBLH-KRWDZBQOSA-N 0 3 389.452 0.802 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000580347773 1185184599 /nfs/dbraw/zinc/18/45/99/1185184599.db2.gz KNUPVSVAIRJEOE-GXSJLCMTSA-N 0 3 388.321 0.553 20 0 GCADHN CSC1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCC1 ZINC000580361700 1185201241 /nfs/dbraw/zinc/20/12/41/1185201241.db2.gz HPSSBBBGBHFJKH-CQSZACIVSA-N 0 3 382.530 0.153 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCS1 ZINC000580413206 1185223531 /nfs/dbraw/zinc/22/35/31/1185223531.db2.gz QFTXPMVYSDCFNV-CABCVRRESA-N 0 3 382.530 0.105 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCCS(=O)(=O)NCc2ccccc2)C[C@H](C)O1 ZINC000580422540 1185228090 /nfs/dbraw/zinc/22/80/90/1185228090.db2.gz QUSLWYKDAWVPRL-JZXOWHBKSA-N 0 3 385.530 0.166 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCCS(=O)(=O)NCc2ccccc2)C[C@@H](C)O1 ZINC000580422539 1185228359 /nfs/dbraw/zinc/22/83/59/1185228359.db2.gz QUSLWYKDAWVPRL-JFIYKMOQSA-N 0 3 385.530 0.166 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC000275887509 1185235894 /nfs/dbraw/zinc/23/58/94/1185235894.db2.gz HCFGAXHCQDLPGD-UHFFFAOYSA-N 0 3 376.457 0.693 20 0 GCADHN Cc1cc(C)nc(-n2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c(C(C)C)n2)n1 ZINC000580466423 1185239781 /nfs/dbraw/zinc/23/97/81/1185239781.db2.gz AKCUUFSDLLAWHO-GDBMZVCRSA-N 0 3 397.483 0.787 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H](CO)C(C)(C)C)cc21 ZINC000275890194 1185239797 /nfs/dbraw/zinc/23/97/97/1185239797.db2.gz IVIREPQWAHWAIM-OAHLLOKOSA-N 0 3 392.456 0.618 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1 ZINC000683945174 1185240652 /nfs/dbraw/zinc/24/06/52/1185240652.db2.gz PMLZITIPXFBGDD-DYVFJYSZSA-N 0 3 380.470 0.405 20 0 GCADHN COC(=O)c1c(F)cccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000275916204 1185271455 /nfs/dbraw/zinc/27/14/55/1185271455.db2.gz GZPBGOUCUFHFHM-UHFFFAOYSA-N 0 3 394.447 0.647 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccnn1Cc1ccccc1 ZINC000275926681 1185293583 /nfs/dbraw/zinc/29/35/83/1185293583.db2.gz HWVYXCULCQRZAP-UHFFFAOYSA-N 0 3 398.511 0.966 20 0 GCADHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000580651173 1185296817 /nfs/dbraw/zinc/29/68/17/1185296817.db2.gz MZEQCNCAMJTLRS-GOEBONIOSA-N 0 3 384.502 0.631 20 0 GCADHN Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2)n1 ZINC000580658624 1185298686 /nfs/dbraw/zinc/29/86/86/1185298686.db2.gz CXENMQRPAABVNL-IAGOWNOFSA-N 0 3 396.451 0.198 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000684016134 1185300607 /nfs/dbraw/zinc/30/06/07/1185300607.db2.gz OEBYTUURBWVBJZ-ZDUSSCGKSA-N 0 3 391.497 0.335 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccnc(N2CCCC2)n1 ZINC000580663971 1185301057 /nfs/dbraw/zinc/30/10/57/1185301057.db2.gz YIRLHSFFJJCFJW-UHFFFAOYSA-N 0 3 376.505 0.197 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000275932316 1185310912 /nfs/dbraw/zinc/31/09/12/1185310912.db2.gz ADNFUIKGLNKBBH-CYBMUJFWSA-N 0 3 394.497 0.608 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000656287072 1185324855 /nfs/dbraw/zinc/32/48/55/1185324855.db2.gz XYGMQOAKUKBORX-KRWDZBQOSA-N 0 3 382.549 0.792 20 0 GCADHN O=C(NCCc1nnc2n1CCCCC2)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656289026 1185333743 /nfs/dbraw/zinc/33/37/43/1185333743.db2.gz JEIHGXWZQFPPLZ-CVEARBPZSA-N 0 3 388.516 0.796 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)N1CCOCC1 ZINC000656290485 1185343935 /nfs/dbraw/zinc/34/39/35/1185343935.db2.gz ZQHZJXXHUBXMEL-KURKYZTESA-N 0 3 380.533 0.593 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)N1CCOCC1 ZINC000656290484 1185344228 /nfs/dbraw/zinc/34/42/28/1185344228.db2.gz ZQHZJXXHUBXMEL-KSZLIROESA-N 0 3 380.533 0.593 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)N1CCOCC1 ZINC000656290483 1185344270 /nfs/dbraw/zinc/34/42/70/1185344270.db2.gz ZQHZJXXHUBXMEL-BZSNNMDCSA-N 0 3 380.533 0.593 20 0 GCADHN CNS(=O)(=O)CCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000275974101 1185346615 /nfs/dbraw/zinc/34/66/15/1185346615.db2.gz HUVMKJFVXKMINY-INIZCTEOSA-N 0 3 384.502 0.681 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1OCCC(N)=O ZINC000275976719 1185349739 /nfs/dbraw/zinc/34/97/39/1185349739.db2.gz VJFDLSRJDULNMM-CABCVRRESA-N 0 3 388.468 0.965 20 0 GCADHN COC(=O)c1scc(C)c1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000275977849 1185354509 /nfs/dbraw/zinc/35/45/09/1185354509.db2.gz MMEVBFHVNVYUTJ-UHFFFAOYSA-N 0 3 396.513 0.878 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000656297104 1185357906 /nfs/dbraw/zinc/35/79/06/1185357906.db2.gz SXPNGAAKFPRINA-IAGOWNOFSA-N 0 3 390.484 0.856 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC(CC(N)=O)CC2)c(OC)c1 ZINC000048025943 1185366075 /nfs/dbraw/zinc/36/60/75/1185366075.db2.gz GGOJAONCGMTRQY-HNNXBMFYSA-N 0 3 380.441 0.809 20 0 GCADHN NC(=O)COc1cccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000656301804 1185370008 /nfs/dbraw/zinc/37/00/08/1185370008.db2.gz NTGXGCOZVHIADZ-DLBZAZTESA-N 0 3 388.468 0.300 20 0 GCADHN COc1ccc([C@@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)N2CCCC2)cc1 ZINC000048074044 1185377371 /nfs/dbraw/zinc/37/73/71/1185377371.db2.gz OXEWSVGEBNINJE-QGZVFWFLSA-N 0 3 386.452 0.509 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656304994 1185377611 /nfs/dbraw/zinc/37/76/11/1185377611.db2.gz MPIAWLZELQFNNU-RDBSUJKOSA-N 0 3 376.423 0.872 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)nc1 ZINC000656310718 1185387652 /nfs/dbraw/zinc/38/76/52/1185387652.db2.gz DMIQAOKPPMRVOH-MRXNPFEDSA-N 0 3 387.484 0.755 20 0 GCADHN COC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000580861977 1185397663 /nfs/dbraw/zinc/39/76/63/1185397663.db2.gz CLUKNZIUPVVDGB-OAHLLOKOSA-N 0 3 399.488 0.627 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656314799 1185397945 /nfs/dbraw/zinc/39/79/45/1185397945.db2.gz DBDUNTMRXAZNDH-YNEHKIRRSA-N 0 3 390.406 0.399 20 0 GCADHN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656315884 1185399162 /nfs/dbraw/zinc/39/91/62/1185399162.db2.gz MYUNLRBNBFJWMN-TWMKSMIVSA-N 0 3 378.517 0.883 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N(CCO)CCCO ZINC000275997137 1185399298 /nfs/dbraw/zinc/39/92/98/1185399298.db2.gz VVQYKZVVAOZSFH-UHFFFAOYSA-N 0 3 395.525 0.420 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000656320815 1185411765 /nfs/dbraw/zinc/41/17/65/1185411765.db2.gz VQEQMWQNOJPCRH-QZTJIDSGSA-N 0 3 386.496 0.838 20 0 GCADHN CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000580904545 1185411887 /nfs/dbraw/zinc/41/18/87/1185411887.db2.gz WHMAYPKJGFLCLP-DLBZAZTESA-N 0 3 387.484 0.873 20 0 GCADHN CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000580904548 1185411908 /nfs/dbraw/zinc/41/19/08/1185411908.db2.gz WHMAYPKJGFLCLP-SJORKVTESA-N 0 3 387.484 0.873 20 0 GCADHN CNS(=O)(=O)CCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000275999321 1185413924 /nfs/dbraw/zinc/41/39/24/1185413924.db2.gz NMIBHBZUFINCSM-UHFFFAOYSA-N 0 3 383.518 0.279 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000684122057 1185441075 /nfs/dbraw/zinc/44/10/75/1185441075.db2.gz PQXZKTHGENXNJB-INIZCTEOSA-N 0 3 393.532 0.583 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N(CCO)CCN2CCOCC2)CN1Cc1ccccc1 ZINC000123350811 1185446665 /nfs/dbraw/zinc/44/66/65/1185446665.db2.gz CHWKSOYWQBPZDR-QUCCMNQESA-N 0 3 390.528 0.986 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000656354268 1185447517 /nfs/dbraw/zinc/44/75/17/1185447517.db2.gz BKLRHCGPJQVWDM-SJORKVTESA-N 0 3 376.501 0.733 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656357283 1185453342 /nfs/dbraw/zinc/45/33/42/1185453342.db2.gz YPJBSKQOSITGKY-MSOLQXFVSA-N 0 3 394.560 0.936 20 0 GCADHN CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356905 1185455513 /nfs/dbraw/zinc/45/55/13/1185455513.db2.gz IEHMEXKPAIHTDD-DLBZAZTESA-N 0 3 378.517 0.884 20 0 GCADHN O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656355641 1185455679 /nfs/dbraw/zinc/45/56/79/1185455679.db2.gz MKXMJXIVQCABOI-OWCLPIDISA-N 0 3 377.489 0.182 20 0 GCADHN Cc1nccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)n1 ZINC000656357016 1185455733 /nfs/dbraw/zinc/45/57/33/1185455733.db2.gz XYRMZECZUYXHOK-IAGOWNOFSA-N 0 3 386.500 0.567 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000656355630 1185456082 /nfs/dbraw/zinc/45/60/82/1185456082.db2.gz MDTJAJNWTLATDG-RCCFBDPRSA-N 0 3 378.517 0.300 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000656355623 1185456117 /nfs/dbraw/zinc/45/61/17/1185456117.db2.gz MCSRHLGMRAKKIH-CVEARBPZSA-N 0 3 390.463 0.397 20 0 GCADHN CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356505 1185456663 /nfs/dbraw/zinc/45/66/63/1185456663.db2.gz FDOLOTPJNYJNLY-IRXDYDNUSA-N 0 3 380.533 0.689 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356455 1185457647 /nfs/dbraw/zinc/45/76/47/1185457647.db2.gz DMTIKFPNOMEVQD-BHIYHBOVSA-N 0 3 392.544 0.831 20 0 GCADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656356507 1185457900 /nfs/dbraw/zinc/45/79/00/1185457900.db2.gz FECLFVDSUDCEGI-MHORFTMASA-N 0 3 380.533 0.687 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(c2cc(C)[nH]n2)CC1 ZINC000580968772 1185458655 /nfs/dbraw/zinc/45/86/55/1185458655.db2.gz CIJRRJPAYVPLCC-INIZCTEOSA-N 0 3 376.505 0.794 20 0 GCADHN CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656357891 1185459580 /nfs/dbraw/zinc/45/95/80/1185459580.db2.gz HLROEQXDCVMXMA-SJORKVTESA-N 0 3 378.517 0.836 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000656359179 1185460768 /nfs/dbraw/zinc/46/07/68/1185460768.db2.gz WTBFOJTYEFXYDA-RYUDHWBXSA-N 0 3 376.379 0.310 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000656358990 1185461094 /nfs/dbraw/zinc/46/10/94/1185461094.db2.gz NWOPFNKCDHIAKG-BRWVUGGUSA-N 0 3 376.501 0.733 20 0 GCADHN Cn1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)cn1 ZINC000656360153 1185463591 /nfs/dbraw/zinc/46/35/91/1185463591.db2.gz RWDGMKJJKKAJJY-ROUUACIJSA-N 0 3 388.516 0.197 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2c2cccnc2)CC1 ZINC000580997624 1185466010 /nfs/dbraw/zinc/46/60/10/1185466010.db2.gz FBPBHOHXNUVWPR-ROUUACIJSA-N 0 3 399.495 0.510 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000581085767 1185491688 /nfs/dbraw/zinc/49/16/88/1185491688.db2.gz ZRZPSGQBBRNPRL-IYBDPMFKSA-N 0 3 391.468 0.329 20 0 GCADHN Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000684144741 1185497234 /nfs/dbraw/zinc/49/72/34/1185497234.db2.gz LUQXYFSOULZPAB-LSDHHAIUSA-N 0 3 375.473 0.853 20 0 GCADHN C[C@@H](O)CN(C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@H](C)CO ZINC000276045106 1185515759 /nfs/dbraw/zinc/51/57/59/1185515759.db2.gz NZBPDVNFCOGXFZ-RTBURBONSA-N 0 3 392.544 0.968 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3cnn4c3nccc4-c3ccccc3)CCN2C1=O ZINC000581143780 1185515911 /nfs/dbraw/zinc/51/59/11/1185515911.db2.gz ZLJDJFFZKXUURB-HOCLYGCPSA-N 0 3 376.420 0.780 20 0 GCADHN COc1ccc(Cn2cc(NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cn2)cc1 ZINC000581201174 1185528073 /nfs/dbraw/zinc/52/80/73/1185528073.db2.gz ADWYQABMEDAFTF-DOTOQJQBSA-N 0 3 384.440 0.716 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ncnn1C(C)(C)C ZINC000581219529 1185540156 /nfs/dbraw/zinc/54/01/56/1185540156.db2.gz PIUYTKMTXHICTJ-CQSZACIVSA-N 0 3 380.493 0.219 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1ncnn1C(C)(C)C ZINC000581219528 1185540421 /nfs/dbraw/zinc/54/04/21/1185540421.db2.gz PIUYTKMTXHICTJ-AWEZNQCLSA-N 0 3 380.493 0.219 20 0 GCADHN O=S(=O)(CCNC[C@H](O)COc1ccc(F)cc1)NC[C@@H]1CCCCO1 ZINC000581246482 1185552505 /nfs/dbraw/zinc/55/25/05/1185552505.db2.gz XMSHWOWAKNZOSH-RDJZCZTQSA-N 0 3 390.477 0.644 20 0 GCADHN CN(C)CCn1nccc1NC(=O)CCNS(=O)(=O)c1ccccc1F ZINC000581242244 1185552763 /nfs/dbraw/zinc/55/27/63/1185552763.db2.gz HIKFOLIBYMKDJM-UHFFFAOYSA-N 0 3 383.449 0.891 20 0 GCADHN CCNS(=O)(=O)c1cccc(CNC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000581247225 1185553367 /nfs/dbraw/zinc/55/33/67/1185553367.db2.gz QTWZSLJPMCNQAR-INMHGKMJSA-N 0 3 385.530 0.545 20 0 GCADHN CCN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C[C@H]1c1ncc[nH]1 ZINC000581251315 1185557045 /nfs/dbraw/zinc/55/70/45/1185557045.db2.gz MMYPMBUSKAKIJP-MSOLQXFVSA-N 0 3 396.495 0.700 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c(OC)c1 ZINC000276090122 1185562944 /nfs/dbraw/zinc/56/29/44/1185562944.db2.gz XIVGXNARVHUVAQ-UHFFFAOYSA-N 0 3 378.473 0.738 20 0 GCADHN NC(=O)CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000581269565 1185563621 /nfs/dbraw/zinc/56/36/21/1185563621.db2.gz WJIIJBNPTYTVMO-QGZVFWFLSA-N 0 3 388.468 0.874 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4c(C)nc[n-]c4=O)C[C@H]32)CC[N@@H+]1C ZINC001021806526 1185565556 /nfs/dbraw/zinc/56/55/56/1185565556.db2.gz VARNBBVXLMFCDR-CAOSSQGBSA-N 0 3 387.484 0.894 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)c4c(C)nc[n-]c4=O)C[C@H]32)CC[N@H+]1C ZINC001021806526 1185565561 /nfs/dbraw/zinc/56/55/61/1185565561.db2.gz VARNBBVXLMFCDR-CAOSSQGBSA-N 0 3 387.484 0.894 20 0 GCADHN CC[C@@H]1CN(CCNC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CCO1 ZINC000581286960 1185570285 /nfs/dbraw/zinc/57/02/85/1185570285.db2.gz NKCODKVYTOXLGF-MRXNPFEDSA-N 0 3 392.500 0.922 20 0 GCADHN CC[C@H]1CN(CCNC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CCO1 ZINC000581286959 1185570654 /nfs/dbraw/zinc/57/06/54/1185570654.db2.gz NKCODKVYTOXLGF-INIZCTEOSA-N 0 3 392.500 0.922 20 0 GCADHN CC(C)n1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000581284854 1185571247 /nfs/dbraw/zinc/57/12/47/1185571247.db2.gz AZTQZCIJDIYYPM-OAHLLOKOSA-N 0 3 378.477 0.461 20 0 GCADHN Cc1cc2c(cc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)OCO2 ZINC000276113435 1185580076 /nfs/dbraw/zinc/58/00/76/1185580076.db2.gz ZWZOETRNTLYOSL-UHFFFAOYSA-N 0 3 376.457 0.758 20 0 GCADHN COC(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)ccc1OC ZINC000510383540 1185588726 /nfs/dbraw/zinc/58/87/26/1185588726.db2.gz DMTVGCHVQORGEL-CQSZACIVSA-N 0 3 377.441 0.508 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000581321882 1185591412 /nfs/dbraw/zinc/59/14/12/1185591412.db2.gz BLGUIXIOCOPBIF-UKRRQHHQSA-N 0 3 395.485 0.149 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)C[C@H]1C ZINC000284219119 1185601916 /nfs/dbraw/zinc/60/19/16/1185601916.db2.gz ZRDJGGMFXQRDJP-CRAIPNDOSA-N 0 3 387.480 0.819 20 0 GCADHN CCn1c(C)nnc1CNCC[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001104346721 1185618295 /nfs/dbraw/zinc/61/82/95/1185618295.db2.gz IAOYXHCRIBMGJX-JOCBIADPSA-N 0 3 392.548 0.900 20 0 GCADHN COc1ccc(OC(C)C)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000581381332 1185628149 /nfs/dbraw/zinc/62/81/49/1185628149.db2.gz XTARFZPVOSQTPI-OCCSQVGLSA-N 0 3 390.440 0.191 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NCCN1CCc2ccccc21 ZINC000430597457 1185675058 /nfs/dbraw/zinc/67/50/58/1185675058.db2.gz AIHHLIAVIQHYFB-IBGZPJMESA-N 0 3 399.539 0.309 20 0 GCADHN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H]1CO ZINC000276205712 1185682468 /nfs/dbraw/zinc/68/24/68/1185682468.db2.gz OEHGQYNQNJOZLA-DOTOQJQBSA-N 0 3 381.498 0.222 20 0 GCADHN O=C(c1ccc(N2CCN(CC3CC3)CC2)nc1)N1CCS(=O)(=O)CC1 ZINC000276207114 1185683734 /nfs/dbraw/zinc/68/37/34/1185683734.db2.gz JNZYWDBCWDYLTP-UHFFFAOYSA-N 0 3 378.498 0.484 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1)N1CCC[C@@H](C)C1 ZINC000581436811 1185690770 /nfs/dbraw/zinc/69/07/70/1185690770.db2.gz BFHXWIMGBAHJQI-HUUCEWRRSA-N 0 3 385.468 0.547 20 0 GCADHN Cc1nccc(N2CCN(C(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)n1 ZINC000581456522 1185696192 /nfs/dbraw/zinc/69/61/92/1185696192.db2.gz JDDGDZVCFRDUKZ-INIZCTEOSA-N 0 3 388.516 0.670 20 0 GCADHN O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000581502554 1185730458 /nfs/dbraw/zinc/73/04/58/1185730458.db2.gz UGPMMBFYUGGGML-GOSISDBHSA-N 0 3 392.544 0.834 20 0 GCADHN CC(C)OC[C@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCO1 ZINC000581502613 1185730547 /nfs/dbraw/zinc/73/05/47/1185730547.db2.gz WYIGVEPZZWQLJI-RBUKOAKNSA-N 0 3 391.512 0.928 20 0 GCADHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3nnnn3CCOCC(F)(F)F)[C@H]2C1 ZINC000581511840 1185733747 /nfs/dbraw/zinc/73/37/47/1185733747.db2.gz FFKXOORSSKIIMJ-MELADBBJSA-N 0 3 390.410 0.989 20 0 GCADHN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC(N2CCOCC2)CC1 ZINC000625555754 1185751012 /nfs/dbraw/zinc/75/10/12/1185751012.db2.gz ZDXLPTXWDMPWQM-UHFFFAOYSA-N 0 3 388.512 0.687 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000430611000 1185752632 /nfs/dbraw/zinc/75/26/32/1185752632.db2.gz NBNOWRJVQSLTPA-SJLPKXTDSA-N 0 3 386.496 0.770 20 0 GCADHN CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)C2)cc(=O)[n-]1 ZINC000276350472 1185755699 /nfs/dbraw/zinc/75/56/99/1185755699.db2.gz HRQVFYGOFIBWSO-JKSUJKDBSA-N 0 3 391.520 0.558 20 0 GCADHN CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)C2)cc(=O)[n-]1 ZINC000276350472 1185755702 /nfs/dbraw/zinc/75/57/02/1185755702.db2.gz HRQVFYGOFIBWSO-JKSUJKDBSA-N 0 3 391.520 0.558 20 0 GCADHN CCOc1ccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OCC ZINC000581559612 1185761296 /nfs/dbraw/zinc/76/12/96/1185761296.db2.gz GFLYBYQHGUXUDN-HUUCEWRRSA-N 0 3 376.457 0.666 20 0 GCADHN CS(=O)(=O)c1ccc(OCCN2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000430612670 1185766220 /nfs/dbraw/zinc/76/62/20/1185766220.db2.gz SWNGNQDPVDFWBP-MRXNPFEDSA-N 0 3 395.525 0.613 20 0 GCADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430614943 1185770103 /nfs/dbraw/zinc/77/01/03/1185770103.db2.gz ANXDAKAQJYOEPZ-QRVBRYPASA-N 0 3 394.560 0.842 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000891432582 1185777834 /nfs/dbraw/zinc/77/78/34/1185777834.db2.gz CYVPZYZWFKPOMK-HNNXBMFYSA-N 0 3 388.468 0.822 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCNC(=O)c2cccs2)CC1 ZINC000152384913 1185783780 /nfs/dbraw/zinc/78/37/80/1185783780.db2.gz IEPJTMOLIUFYTI-CQSZACIVSA-N 0 3 378.498 0.633 20 0 GCADHN CC(C)N(CC(F)(F)F)C(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430616800 1185783915 /nfs/dbraw/zinc/78/39/15/1185783915.db2.gz HXEUBVBQQGCECQ-CQSZACIVSA-N 0 3 378.439 0.930 20 0 GCADHN CSc1cc2c(cc1NC(=O)N1CCN3C(=O)[C@@H](N)C[C@H]3C1)OCCO2 ZINC000581618862 1185789055 /nfs/dbraw/zinc/78/90/55/1185789055.db2.gz REUMAOYCEHOMGN-QWRGUYRKSA-N 0 3 378.454 0.955 20 0 GCADHN CC(C)(C)CCN1CCN(C(=O)NC[C@@]23COCCN2C(=O)COC3)CC1 ZINC001687345305 1185794195 /nfs/dbraw/zinc/79/41/95/1185794195.db2.gz QWBUIHIGAZAKHE-IBGZPJMESA-N 0 3 382.505 0.378 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)Nc1cccc2nsnc21 ZINC000430621362 1185799513 /nfs/dbraw/zinc/79/95/13/1185799513.db2.gz JCTOGYMNHCAARS-ZDUSSCGKSA-N 0 3 388.497 0.774 20 0 GCADHN COCc1ccc(CNC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 ZINC000430624096 1185808482 /nfs/dbraw/zinc/80/84/82/1185808482.db2.gz IBOULLZTEPFBLR-IBGZPJMESA-N 0 3 388.512 0.593 20 0 GCADHN Cc1cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000157371638 1185816055 /nfs/dbraw/zinc/81/60/55/1185816055.db2.gz KXLITLUCKPAVAA-CQSZACIVSA-N 0 3 387.484 0.791 20 0 GCADHN NC1(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)Cc2ccccc2C1 ZINC000648154150 1185816451 /nfs/dbraw/zinc/81/64/51/1185816451.db2.gz ASPHSASLDIMJQJ-QGZVFWFLSA-N 0 3 393.509 0.136 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NCCOc1ccc(F)cc1 ZINC000430632679 1185821922 /nfs/dbraw/zinc/82/19/22/1185821922.db2.gz ZAPYDTANZAFCHY-MRXNPFEDSA-N 0 3 392.475 0.465 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000276450103 1185826834 /nfs/dbraw/zinc/82/68/34/1185826834.db2.gz PNOVAFFWTLGKBR-ZDUSSCGKSA-N 0 3 379.461 0.772 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000276462838 1185830370 /nfs/dbraw/zinc/83/03/70/1185830370.db2.gz QTWDNZDKECFGED-ZDUSSCGKSA-N 0 3 377.445 0.622 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)c2cc(N3CCNC(=O)C3)ccn2)C[C@H](C)O1 ZINC000276477343 1185836545 /nfs/dbraw/zinc/83/65/45/1185836545.db2.gz FKCNJHMWGMPAAV-HOTGVXAUSA-N 0 3 389.500 0.637 20 0 GCADHN C[C@H](CO)N(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCCC1 ZINC000276482298 1185836799 /nfs/dbraw/zinc/83/67/99/1185836799.db2.gz SIGXVHGTWJHTTG-CYBMUJFWSA-N 0 3 381.498 0.849 20 0 GCADHN Cc1nc2ccc(NC(=O)NCCCCN3CCN(CCO)CC3)cn2n1 ZINC000581695217 1185849484 /nfs/dbraw/zinc/84/94/84/1185849484.db2.gz YAQATHUFDUQBKQ-UHFFFAOYSA-N 0 3 375.477 0.549 20 0 GCADHN COc1ccccc1N1CC[C@@H](N2CCC[C@H](C(=O)N3CCNCC3)C2)C1=O ZINC000430642393 1185855078 /nfs/dbraw/zinc/85/50/78/1185855078.db2.gz KECOPALFPDDIKA-FUHWJXTLSA-N 0 3 386.496 0.944 20 0 GCADHN CC[C@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CCO1 ZINC000510453663 1185858314 /nfs/dbraw/zinc/85/83/14/1185858314.db2.gz BAIBSMWBHOJTKC-FBVQUNGASA-N 0 3 395.548 0.480 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000276517279 1185858535 /nfs/dbraw/zinc/85/85/35/1185858535.db2.gz YIZIRFLZRDBSRV-QWHCGFSZSA-N 0 3 379.461 0.772 20 0 GCADHN COCc1ccccc1CNC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430645739 1185859817 /nfs/dbraw/zinc/85/98/17/1185859817.db2.gz OFSZONJYAYVFSO-GOSISDBHSA-N 0 3 388.512 0.593 20 0 GCADHN O=C(C(=O)N1CCCN(c2nccs2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000581712119 1185860566 /nfs/dbraw/zinc/86/05/66/1185860566.db2.gz HPRTTXJVSKBTMI-OAHLLOKOSA-N 0 3 377.514 0.879 20 0 GCADHN O=C(NCCCN1CCCCCC1=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000670637999 1185870244 /nfs/dbraw/zinc/87/02/44/1185870244.db2.gz FGOMNTOHELNVEY-KRWDZBQOSA-N 0 3 378.517 0.982 20 0 GCADHN CO[C@H](CS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCC1 ZINC000656893044 1185872566 /nfs/dbraw/zinc/87/25/66/1185872566.db2.gz ACLNFNCAKRMVPA-QGZVFWFLSA-N 0 3 387.546 0.761 20 0 GCADHN COc1ccc(C[C@](C)(CO)NCC(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000933430114 1185887392 /nfs/dbraw/zinc/88/73/92/1185887392.db2.gz SXZVRZUQHCUWIG-FXAWDEMLSA-N 0 3 377.485 0.705 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](N)c2ccccc2)c2ccccc2O1 ZINC000581774904 1185894873 /nfs/dbraw/zinc/89/48/73/1185894873.db2.gz ZTBZIIAPVFGOBA-WMLDXEAASA-N 0 3 383.404 0.770 20 0 GCADHN COc1cccc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1OC ZINC000581777989 1185896294 /nfs/dbraw/zinc/89/62/94/1185896294.db2.gz BTZUDAPGLPEACH-MRXNPFEDSA-N 0 3 393.484 0.889 20 0 GCADHN CCOC(=O)N1C[C@H](NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)[C@@H](CO)C1 ZINC000891538014 1185909345 /nfs/dbraw/zinc/90/93/45/1185909345.db2.gz ZZFFPWJXUXDLHT-KURKYZTESA-N 0 3 392.500 0.908 20 0 GCADHN CC1(C)CCCC[C@H]1NC(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000581842565 1185910986 /nfs/dbraw/zinc/91/09/86/1185910986.db2.gz QNXVWXRQJKQJCK-QGZVFWFLSA-N 0 3 382.549 0.578 20 0 GCADHN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430668346 1185943459 /nfs/dbraw/zinc/94/34/59/1185943459.db2.gz RCSIHLHRBNBKCH-JKSUJKDBSA-N 0 3 399.495 0.504 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCc2ccc(F)cc2)CC1 ZINC000656936796 1185947049 /nfs/dbraw/zinc/94/70/49/1185947049.db2.gz BTWTZSCMIAPWDQ-KRWDZBQOSA-N 0 3 383.489 0.936 20 0 GCADHN CO[C@H](CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CCCC1 ZINC000656938823 1185947183 /nfs/dbraw/zinc/94/71/83/1185947183.db2.gz QVSFADOACRSOHR-IAGOWNOFSA-N 0 3 387.546 0.760 20 0 GCADHN CO[C@H](CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CCCC1 ZINC000656938822 1185947475 /nfs/dbraw/zinc/94/74/75/1185947475.db2.gz QVSFADOACRSOHR-DLBZAZTESA-N 0 3 387.546 0.760 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCc2ccccc2F)CC1 ZINC000656939336 1185948047 /nfs/dbraw/zinc/94/80/47/1185948047.db2.gz UUNGXTGPLZULTB-QGZVFWFLSA-N 0 3 383.489 0.936 20 0 GCADHN CCOc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1OCC(=O)OC ZINC000581895530 1185954186 /nfs/dbraw/zinc/95/41/86/1185954186.db2.gz HZMQKFONYNGEEW-ZIAGYGMSSA-N 0 3 391.424 0.021 20 0 GCADHN O=C(NC[C@H]1Cc2ccccc2CN1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000891662229 1185962523 /nfs/dbraw/zinc/96/25/23/1185962523.db2.gz WHWQAEIOJZDIPU-QGZVFWFLSA-N 0 3 392.525 0.957 20 0 GCADHN Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)CC2 ZINC000581935647 1185996431 /nfs/dbraw/zinc/99/64/31/1185996431.db2.gz WAKSOUXHVGAPRI-OAHLLOKOSA-N 0 3 376.505 0.598 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCO[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000933643003 1186006919 /nfs/dbraw/zinc/00/69/19/1186006919.db2.gz XTWCVMACGVJYMW-SJORKVTESA-N 0 3 383.514 0.151 20 0 GCADHN O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000891750656 1186007886 /nfs/dbraw/zinc/00/78/86/1186007886.db2.gz QJLQPHUDNHUYSD-AOIWGVFYSA-N 0 3 393.509 0.736 20 0 GCADHN CCN1C[C@@H](C)N(C(=O)COCC(=O)N2[C@@H](C)CN(CC)C[C@@H]2C)[C@H](C)C1 ZINC000581967561 1186012811 /nfs/dbraw/zinc/01/28/11/1186012811.db2.gz XGHISZHKPBKCJQ-BALXVJCKSA-N 0 3 382.549 0.885 20 0 GCADHN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000328898231 1186014674 /nfs/dbraw/zinc/01/46/74/1186014674.db2.gz DCJCXETUTVQOEY-UHFFFAOYSA-N 0 3 387.440 0.215 20 0 GCADHN CNC(=O)CN(C)C(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000276757411 1186020882 /nfs/dbraw/zinc/02/08/82/1186020882.db2.gz GPAKEQYIXKNCQT-UHFFFAOYSA-N 0 3 389.500 0.668 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000430765162 1186026772 /nfs/dbraw/zinc/02/67/72/1186026772.db2.gz FJZSGHCTTCJLGS-HUUCEWRRSA-N 0 3 390.475 0.749 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000430787406 1186029494 /nfs/dbraw/zinc/02/94/94/1186029494.db2.gz HABSLOWZFIVTDH-ZIAGYGMSSA-N 0 3 376.448 0.359 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)CN2CCNCC2=O)cc1)[C@H]1CCCN(C)C1 ZINC000430796039 1186031622 /nfs/dbraw/zinc/03/16/22/1186031622.db2.gz JCXDOJFIMMKLTK-KRWDZBQOSA-N 0 3 387.484 0.223 20 0 GCADHN Cn1c2ncn(CCN3CCC[C@H](C(=O)OC(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000156536016 1186034742 /nfs/dbraw/zinc/03/47/42/1186034742.db2.gz UDSCZHNZULIKOK-ZDUSSCGKSA-N 0 3 391.472 0.487 20 0 GCADHN COc1ccc(CN2CCN(C(=O)C[C@@H]3CNCCO3)CC2)c(OC)c1OC ZINC000430847933 1186039624 /nfs/dbraw/zinc/03/96/24/1186039624.db2.gz AUIKNBOFZHUFCS-MRXNPFEDSA-N 0 3 393.484 0.735 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cccnc2N2CCOCC2)CC1 ZINC000328952950 1186045579 /nfs/dbraw/zinc/04/55/79/1186045579.db2.gz MDTYENRHSDIWLS-UHFFFAOYSA-N 0 3 387.484 0.298 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2c(c1)COC2 ZINC000510683135 1186053980 /nfs/dbraw/zinc/05/39/80/1186053980.db2.gz PUVIQZNTYTVOPL-QGZVFWFLSA-N 0 3 388.468 0.714 20 0 GCADHN COc1cc(CN2CCC[C@H]2CN2CCOCC2)cc(OC)c1OCC(N)=O ZINC000510692701 1186058071 /nfs/dbraw/zinc/05/80/71/1186058071.db2.gz HFWUWCPIPBKXGH-INIZCTEOSA-N 0 3 393.484 0.865 20 0 GCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000891823218 1186066515 /nfs/dbraw/zinc/06/65/15/1186066515.db2.gz MXZNKNDQPXXOIK-MSOLQXFVSA-N 0 3 399.495 0.637 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCCS(=O)(=O)c2ccccc2)C1 ZINC001691251434 1186068644 /nfs/dbraw/zinc/06/86/44/1186068644.db2.gz XXJXEADSQQRTJE-ABFRBSLYSA-N 0 3 393.509 0.456 20 0 GCADHN CC[C@@H](C)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000562947781 1186068819 /nfs/dbraw/zinc/06/88/19/1186068819.db2.gz SBBTYGZWVZVIIJ-MSOLQXFVSA-N 0 3 380.533 0.642 20 0 GCADHN O=C(NCc1ccnc(N2CCOCC2)c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000891829658 1186069178 /nfs/dbraw/zinc/06/91/78/1186069178.db2.gz OVVRRSAXDPACOT-ROUUACIJSA-N 0 3 389.500 0.659 20 0 GCADHN O=C(NCc1ccnc(N2CCOCC2)c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000891829661 1186069720 /nfs/dbraw/zinc/06/97/20/1186069720.db2.gz OVVRRSAXDPACOT-ZWKOTPCHSA-N 0 3 389.500 0.659 20 0 GCADHN Cc1c(C(=O)N2CC[C@](C)(C(N)=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000684529993 1186075557 /nfs/dbraw/zinc/07/55/57/1186075557.db2.gz LIOWWJZTCSPTFR-FQEVSTJZSA-N 0 3 382.468 0.901 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000562978086 1186086412 /nfs/dbraw/zinc/08/64/12/1186086412.db2.gz WKXGTRKLFCPZQE-GOSISDBHSA-N 0 3 395.525 0.997 20 0 GCADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000510742019 1186097632 /nfs/dbraw/zinc/09/76/32/1186097632.db2.gz UZUDBYIOYOMRNG-GFCCVEGCSA-N 0 3 395.471 0.631 20 0 GCADHN O=C(COC1CNC1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000431005747 1186098328 /nfs/dbraw/zinc/09/83/28/1186098328.db2.gz WONFTZKUKWDCPS-UHFFFAOYSA-N 0 3 376.457 0.287 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)CC1=O ZINC000156553037 1186100863 /nfs/dbraw/zinc/10/08/63/1186100863.db2.gz LMLXQPXXURMQOY-ZBFHGGJFSA-N 0 3 375.473 0.394 20 0 GCADHN O=C(COC1CNC1)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1 ZINC000431015305 1186102834 /nfs/dbraw/zinc/10/28/34/1186102834.db2.gz OIVQBBDJPCNQOV-UHFFFAOYSA-N 0 3 388.497 0.787 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCOc1ccc(F)cc1 ZINC000510765761 1186103865 /nfs/dbraw/zinc/10/38/65/1186103865.db2.gz PCHFZRJDWNZZLF-HZPDHXFCSA-N 0 3 387.477 0.771 20 0 GCADHN COC(=O)[C@]1(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CCOC1 ZINC000610670654 1186109297 /nfs/dbraw/zinc/10/92/97/1186109297.db2.gz LCFBWWZPEADZBO-FQEVSTJZSA-N 0 3 399.451 0.626 20 0 GCADHN CC(C)(C)c1nnc2n1CCN(C(=O)C(=O)NCCN1CCC(C)(C)C1)C2 ZINC000933852409 1186110023 /nfs/dbraw/zinc/11/00/23/1186110023.db2.gz QGGLLVKOMYFQLF-UHFFFAOYSA-N 0 3 376.505 0.766 20 0 GCADHN COC[C@@H](NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000510866802 1186141128 /nfs/dbraw/zinc/14/11/28/1186141128.db2.gz MRJDFUQHEUDBGZ-RVKKMQEKSA-N 0 3 381.517 0.875 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCc3nnnn3-c3ccccc3)C2)CC1 ZINC000610732180 1186154309 /nfs/dbraw/zinc/15/43/09/1186154309.db2.gz DWOSOLUIBIGUBA-SFHVURJKSA-N 0 3 398.515 0.972 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)CC1 ZINC000471952565 1186160192 /nfs/dbraw/zinc/16/01/92/1186160192.db2.gz NDCCULHCRVLAHT-LSDHHAIUSA-N 0 3 386.500 0.823 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21)CN1CCN(C)CC1 ZINC000471959327 1186165455 /nfs/dbraw/zinc/16/54/55/1186165455.db2.gz UGDDIFFYJZXORE-HUUCEWRRSA-N 0 3 386.500 0.681 20 0 GCADHN CN(CCN1CCCC1)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000329002422 1186173348 /nfs/dbraw/zinc/17/33/48/1186173348.db2.gz WEUHQMAUSSDOHO-UHFFFAOYSA-N 0 3 381.498 0.875 20 0 GCADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCOC(F)F ZINC001707906567 1186193061 /nfs/dbraw/zinc/19/30/61/1186193061.db2.gz DAFZBECBEAMBBR-UHFFFAOYSA-N 0 3 386.447 0.960 20 0 GCADHN O=C(CCNC(=O)NCCCCN1CCN(CCO)CC1)N1CCCCC1 ZINC000535670593 1186197158 /nfs/dbraw/zinc/19/71/58/1186197158.db2.gz QTOCRTVNZNVIAU-UHFFFAOYSA-N 0 3 383.537 0.078 20 0 GCADHN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@H]1CN2CCN1CCC2 ZINC000535714757 1186201701 /nfs/dbraw/zinc/20/17/01/1186201701.db2.gz XCXUCJFTWZVPBS-MRXNPFEDSA-N 0 3 382.461 0.694 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](N3CCN(C)CC3)[C@H](C)C1)CC2 ZINC000535724432 1186204137 /nfs/dbraw/zinc/20/41/37/1186204137.db2.gz UURDDFDWLJOCFK-DJIMGWMZSA-N 0 3 375.521 0.569 20 0 GCADHN CCCN(C)CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001744871422 1186206590 /nfs/dbraw/zinc/20/65/90/1186206590.db2.gz YUFAEQUDPYYHCE-MJQMVNBJSA-N 0 3 381.517 0.829 20 0 GCADHN C[C@H]1CN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC[C@H]1N1CCN(C)CC1 ZINC000535731617 1186207160 /nfs/dbraw/zinc/20/71/60/1186207160.db2.gz AOHCHFVFIDFKSL-DOTOQJQBSA-N 0 3 390.532 0.991 20 0 GCADHN C[C@H]1CN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC[C@@H]1N1CCN(C)CC1 ZINC000535731619 1186207242 /nfs/dbraw/zinc/20/72/42/1186207242.db2.gz AOHCHFVFIDFKSL-RDJZCZTQSA-N 0 3 390.532 0.991 20 0 GCADHN C[C@H](NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NCc1ccco1 ZINC001691405568 1186211200 /nfs/dbraw/zinc/21/12/00/1186211200.db2.gz CUHWEIQXIXWHEE-NXNVCVFFSA-N 0 3 379.457 0.384 20 0 GCADHN CN(CCNCC(=O)N1CCC[C@H](C(N)=O)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001691406182 1186213618 /nfs/dbraw/zinc/21/36/18/1186213618.db2.gz NSMAGWOYHFEJQO-LUKYLMHMSA-N 0 3 378.517 0.585 20 0 GCADHN COC[C@H](C)NC(=O)NC(=O)CNCCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001691406579 1186213708 /nfs/dbraw/zinc/21/37/08/1186213708.db2.gz VXTPWPJCPTUJBE-YHUYYLMFSA-N 0 3 382.505 0.721 20 0 GCADHN COC(=O)[C@H]1CN(C[C@H](O)C2(O)CCCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045963 1186226137 /nfs/dbraw/zinc/22/61/37/1186226137.db2.gz MNLMNCRBXHVPJQ-CABCVRRESA-N 0 3 398.500 0.994 20 0 GCADHN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000277046845 1186232333 /nfs/dbraw/zinc/23/23/33/1186232333.db2.gz UOTLPVCIQHKLHX-UHFFFAOYSA-N 0 3 386.456 0.479 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000277053583 1186232841 /nfs/dbraw/zinc/23/28/41/1186232841.db2.gz IQORLBWHWSSZBA-UHFFFAOYSA-N 0 3 385.534 0.592 20 0 GCADHN Cc1noc(Cn2cc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)ccc2=O)n1 ZINC000468863950 1186234615 /nfs/dbraw/zinc/23/46/15/1186234615.db2.gz HQCSJAHYLIKPAS-MRXNPFEDSA-N 0 3 389.456 0.771 20 0 GCADHN Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCOC(F)F ZINC001707906720 1186235772 /nfs/dbraw/zinc/23/57/72/1186235772.db2.gz HUHQTLOHGVNEIS-AWEZNQCLSA-N 0 3 386.447 0.959 20 0 GCADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cn1 ZINC000610830738 1186243276 /nfs/dbraw/zinc/24/32/76/1186243276.db2.gz IZRXIYSYQHUECW-CQSZACIVSA-N 0 3 391.472 0.720 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N2CC(=O)N[C@@H](C)C2)c1 ZINC000458257557 1186246126 /nfs/dbraw/zinc/24/61/26/1186246126.db2.gz SQIIPJYYTZBVCJ-HNNXBMFYSA-N 0 3 378.473 0.674 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H](CO)Cc2ccncc2Cl)CC1=O ZINC000535847342 1186254259 /nfs/dbraw/zinc/25/42/59/1186254259.db2.gz DMSHEJPVZVQPKN-DZGCQCFKSA-N 0 3 382.892 0.412 20 0 GCADHN O=C(COC[C@@H]1CCCO1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001111515474 1186264426 /nfs/dbraw/zinc/26/44/26/1186264426.db2.gz YYWOOHKFZYLPQC-XDNAFOTISA-N 0 3 379.501 0.916 20 0 GCADHN COc1ccc(OC)c(CN2CCN(CCC(=O)N3CCNCC3)CC2)c1 ZINC000262004939 1186270074 /nfs/dbraw/zinc/27/00/74/1186270074.db2.gz DWCCXURIYFOUKX-UHFFFAOYSA-N 0 3 376.501 0.643 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471990175 1186270616 /nfs/dbraw/zinc/27/06/16/1186270616.db2.gz DEROCCHZOUASEM-UONOGXRCSA-N 0 3 378.439 0.930 20 0 GCADHN Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCCC(=O)NC1CC1 ZINC001707915613 1186272928 /nfs/dbraw/zinc/27/29/28/1186272928.db2.gz URBFLRCSDCQEFH-INIZCTEOSA-N 0 3 376.505 0.804 20 0 GCADHN Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN(C)Cc1ccccc1 ZINC001707916735 1186274644 /nfs/dbraw/zinc/27/46/44/1186274644.db2.gz OZBLRLZZHIROHA-UHFFFAOYSA-N 0 3 392.529 0.800 20 0 GCADHN Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001707917449 1186276436 /nfs/dbraw/zinc/27/64/36/1186276436.db2.gz ZYRMMUBSODUEMY-QGZVFWFLSA-N 0 3 392.529 0.971 20 0 GCADHN NS(=O)(=O)c1ccc(CCC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000605488643 1186288500 /nfs/dbraw/zinc/28/85/00/1186288500.db2.gz FNKXUEBTDDDCRA-UHFFFAOYSA-N 0 3 395.525 0.837 20 0 GCADHN Cc1nc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n[nH]1 ZINC001087194431 1186290885 /nfs/dbraw/zinc/29/08/85/1186290885.db2.gz USOFBLGLWGEKQQ-UYANXQCSSA-N 0 3 377.489 0.881 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)ncn1 ZINC000277211637 1186294540 /nfs/dbraw/zinc/29/45/40/1186294540.db2.gz XWJJWQBJLSORMX-INIZCTEOSA-N 0 3 399.451 0.831 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccnn1[C@H]1CCOC1 ZINC000934139258 1186311446 /nfs/dbraw/zinc/31/14/46/1186311446.db2.gz XGWNMCCFUYAFNZ-LSDHHAIUSA-N 0 3 378.477 0.909 20 0 GCADHN CC(C)(NS(C)(=O)=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277274260 1186314223 /nfs/dbraw/zinc/31/42/23/1186314223.db2.gz HRWHZVKIFQUVOE-INIZCTEOSA-N 0 3 383.514 0.722 20 0 GCADHN CCc1nnc2n1C[C@@H](NC(=O)N1CC[C@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000611563550 1186317937 /nfs/dbraw/zinc/31/79/37/1186317937.db2.gz GWLBHNDHXPXIHA-IRXDYDNUSA-N 0 3 389.548 0.965 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)CCn2cc(S(N)(=O)=O)cn2)c1 ZINC000103113269 1186327437 /nfs/dbraw/zinc/32/74/37/1186327437.db2.gz ZGCTXJFPWSLAQZ-UHFFFAOYSA-N 0 3 393.513 0.819 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CSc1nnnn1CC(F)(F)F ZINC000472088430 1186338022 /nfs/dbraw/zinc/33/80/22/1186338022.db2.gz AZZIOAFYYGWALB-LLVKDONJSA-N 0 3 395.455 0.470 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000511033968 1186338656 /nfs/dbraw/zinc/33/86/56/1186338656.db2.gz YPBNIZNJEQHGRM-ZDUSSCGKSA-N 0 3 388.520 0.256 20 0 GCADHN CCOC(=O)[C@@H]1NC(=O)N(Cc2ccc(CN3CCN(CC)CC3)cc2)C1=O ZINC000277348932 1186344203 /nfs/dbraw/zinc/34/42/03/1186344203.db2.gz NJRCCJKEIQBFEK-QGZVFWFLSA-N 0 3 388.468 0.808 20 0 GCADHN CCN(CCO)CCNC(=O)[C@](C)(O)CN1c2ccccc2C(C)(C)C1=O ZINC000277357952 1186346392 /nfs/dbraw/zinc/34/63/92/1186346392.db2.gz ONAUKVSYVXIWPG-HXUWFJFHSA-N 0 3 377.485 0.492 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472099841 1186349711 /nfs/dbraw/zinc/34/97/11/1186349711.db2.gz KYISMPQNCFMZMM-IRXDYDNUSA-N 0 3 388.578 0.723 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000472103610 1186353499 /nfs/dbraw/zinc/35/34/99/1186353499.db2.gz HIFQYINMPNOQFC-HNNXBMFYSA-N 0 3 387.484 0.600 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000472103611 1186354019 /nfs/dbraw/zinc/35/40/19/1186354019.db2.gz HIFQYINMPNOQFC-OAHLLOKOSA-N 0 3 387.484 0.600 20 0 GCADHN COCCN1C(=O)C[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]1c1cnn(C)c1C ZINC000277409577 1186370530 /nfs/dbraw/zinc/37/05/30/1186370530.db2.gz ZDHOMXLGBBWFPZ-HNAYVOBHSA-N 0 3 379.505 0.721 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000153954276 1186373935 /nfs/dbraw/zinc/37/39/35/1186373935.db2.gz NJEGLCHDXINFFS-HNNXBMFYSA-N 0 3 377.489 0.400 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000153954276 1186373942 /nfs/dbraw/zinc/37/39/42/1186373942.db2.gz NJEGLCHDXINFFS-HNNXBMFYSA-N 0 3 377.489 0.400 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)CN1CCN(C)CC1 ZINC000511056231 1186374159 /nfs/dbraw/zinc/37/41/59/1186374159.db2.gz KCELJBDWODIUEP-HNNXBMFYSA-N 0 3 387.484 0.352 20 0 GCADHN CCN1CCN(CCCNC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000157691395 1186375070 /nfs/dbraw/zinc/37/50/70/1186375070.db2.gz ZWIIGLMHPYKTBO-UHFFFAOYSA-N 0 3 382.530 0.708 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)C[C@@H]1O ZINC000582030676 1186377699 /nfs/dbraw/zinc/37/76/99/1186377699.db2.gz BWEAHGZIRPLJAC-IRXDYDNUSA-N 0 3 393.465 0.505 20 0 GCADHN CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(CC)CC2)cc1 ZINC000106172968 1186377846 /nfs/dbraw/zinc/37/78/46/1186377846.db2.gz HIMHXPZDEKYWOU-UHFFFAOYSA-N 0 3 382.530 0.742 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000934254606 1186379914 /nfs/dbraw/zinc/37/99/14/1186379914.db2.gz DFGGHCVULLDZKA-DLBZAZTESA-N 0 3 382.505 0.255 20 0 GCADHN COc1ccc(CNC(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)cc1OC ZINC000934252874 1186380221 /nfs/dbraw/zinc/38/02/21/1186380221.db2.gz OAGGTXWPHIDJFF-IAGOWNOFSA-N 0 3 377.485 0.851 20 0 GCADHN O=C(CN1CC[C@@H]2[C@H]1CCCN2CCO)NC[C@@H]1COc2ccccc2O1 ZINC000934252336 1186380301 /nfs/dbraw/zinc/38/03/01/1186380301.db2.gz KRFGTDMLBYGLCS-BRWVUGGUSA-N 0 3 375.469 0.474 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000582048459 1186381627 /nfs/dbraw/zinc/38/16/27/1186381627.db2.gz KDORPGQLANWUSU-UHFFFAOYSA-N 0 3 376.505 0.387 20 0 GCADHN NC(=O)c1c2c(sc1NC(=O)CN1CC[C@@H]3[C@H]1CCCN3CCO)CCC2 ZINC000934261410 1186389179 /nfs/dbraw/zinc/38/91/79/1186389179.db2.gz RPBMEWPQPMLSIL-ZIAGYGMSSA-N 0 3 392.525 0.805 20 0 GCADHN COCCOc1cccc(CNC(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000934262703 1186389801 /nfs/dbraw/zinc/38/98/01/1186389801.db2.gz YQUSYDBRURGOAE-WOJBJXKFSA-N 0 3 391.512 0.859 20 0 GCADHN COCCOc1cccc(CNC(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000934262701 1186390061 /nfs/dbraw/zinc/39/00/61/1186390061.db2.gz YQUSYDBRURGOAE-UXHICEINSA-N 0 3 391.512 0.859 20 0 GCADHN CN1C(=O)c2ccc(NC(=O)CN3CC[C@H]4[C@@H]3CCCN4CCO)cc2C1=O ZINC000934265867 1186393601 /nfs/dbraw/zinc/39/36/01/1186393601.db2.gz XNJDYHZHSJQQIK-IRXDYDNUSA-N 0 3 386.452 0.382 20 0 GCADHN Cn1cc([C@H]2OCCC[C@@H]2NC(=O)NCCCCN2CCN(C)CC2)cn1 ZINC000548672039 1186406630 /nfs/dbraw/zinc/40/66/30/1186406630.db2.gz CDGCNTPONHVMOS-ZWKOTPCHSA-N 0 3 378.521 0.967 20 0 GCADHN C[C@H]1CSCCCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000934303340 1186425306 /nfs/dbraw/zinc/42/53/06/1186425306.db2.gz SSJMXBKSMIAAMP-AWEZNQCLSA-N 0 3 389.529 0.839 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CCN2C1=O ZINC000582133844 1186430232 /nfs/dbraw/zinc/43/02/32/1186430232.db2.gz PAICGYWXYKPIGR-RBSFLKMASA-N 0 3 393.513 0.075 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1 ZINC000152270701 1186443927 /nfs/dbraw/zinc/44/39/27/1186443927.db2.gz LNGLQZWKELQYHT-KRWDZBQOSA-N 0 3 386.431 0.785 20 0 GCADHN Cc1c(Cl)cc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1F ZINC000582192154 1186459462 /nfs/dbraw/zinc/45/94/62/1186459462.db2.gz AAQJDRDWNCEUSF-KCJUWKMLSA-N 0 3 386.786 0.636 20 0 GCADHN C[C@H](c1ccc(NC(=O)C(=O)NCCN(C)CCO)cc1)N1CCOCC1 ZINC000892219571 1186460756 /nfs/dbraw/zinc/46/07/56/1186460756.db2.gz SXDZVFMNSKSMSP-OAHLLOKOSA-N 0 3 378.473 0.059 20 0 GCADHN CSC[C@H](C)C(=O)N1CCC(C(=O)NC[C@@]2(O)CN3CCC2CC3)CC1 ZINC000564667003 1186465541 /nfs/dbraw/zinc/46/55/41/1186465541.db2.gz LUDJUJSIGFWUEB-IFXJQAMLSA-N 0 3 383.558 0.797 20 0 GCADHN CCN1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000158211529 1186473000 /nfs/dbraw/zinc/47/30/00/1186473000.db2.gz VAKGMAZEFGFLOQ-UHFFFAOYSA-N 0 3 394.541 0.547 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)CCCc3nc(-c4cccs4)no3)CCN2C1=O ZINC000582252648 1186477644 /nfs/dbraw/zinc/47/76/44/1186477644.db2.gz NOHVZUFORJTSCN-NWDGAFQWSA-N 0 3 375.454 0.891 20 0 GCADHN O=C(NCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)c1ccccc1F ZINC000892233374 1186479161 /nfs/dbraw/zinc/47/91/61/1186479161.db2.gz PZUQPSNGCYUURR-DLBZAZTESA-N 0 3 378.448 0.796 20 0 GCADHN O=C(NCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)c1ccccc1F ZINC000892233378 1186479383 /nfs/dbraw/zinc/47/93/83/1186479383.db2.gz PZUQPSNGCYUURR-IAGOWNOFSA-N 0 3 378.448 0.796 20 0 GCADHN CC(=O)NC1(c2noc(CCC(=O)NC[C@@H]3CNCCO3)n2)CCCCCC1 ZINC000582354989 1186502348 /nfs/dbraw/zinc/50/23/48/1186502348.db2.gz KIBSFYUSFPZOQU-HNNXBMFYSA-N 0 3 393.488 0.792 20 0 GCADHN CC(=O)NC1(c2noc(CCC(=O)NC[C@H]3CNCCO3)n2)CCCCCC1 ZINC000582354990 1186502393 /nfs/dbraw/zinc/50/23/93/1186502393.db2.gz KIBSFYUSFPZOQU-OAHLLOKOSA-N 0 3 393.488 0.792 20 0 GCADHN CN(C[C@@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1)S(C)(=O)=O ZINC000511103007 1186502677 /nfs/dbraw/zinc/50/26/77/1186502677.db2.gz AWMMFQSIXHSCFJ-AWEZNQCLSA-N 0 3 396.513 0.718 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)CCN2C1=O ZINC000582371735 1186507326 /nfs/dbraw/zinc/50/73/26/1186507326.db2.gz KUQYHVRGULISTF-HZMBPMFUSA-N 0 3 399.278 0.423 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CCN(C)C)C2CC2)cc1 ZINC000431390305 1186507450 /nfs/dbraw/zinc/50/74/50/1186507450.db2.gz KBPSYFNQOPFSJS-UHFFFAOYSA-N 0 3 396.513 0.818 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC001022727101 1186512478 /nfs/dbraw/zinc/51/24/78/1186512478.db2.gz WJBAYJGKIVZPRR-XUWVNRHRSA-N 0 3 376.501 0.254 20 0 GCADHN CCOC(=O)c1c(F)cccc1NC(=O)C(=O)NCCN1CCN(CC)CC1 ZINC000611595090 1186513238 /nfs/dbraw/zinc/51/32/38/1186513238.db2.gz FSILQXJMSGZNLF-UHFFFAOYSA-N 0 3 394.447 0.695 20 0 GCADHN O=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892258813 1186514590 /nfs/dbraw/zinc/51/45/90/1186514590.db2.gz KCPORYHHMJDMFD-YQVWRLOYSA-N 0 3 398.573 0.435 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC001022729759 1186518932 /nfs/dbraw/zinc/51/89/32/1186518932.db2.gz UJJQWMJVWAAYNH-PQEBFOHHSA-N 0 3 376.501 0.254 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000582412077 1186524734 /nfs/dbraw/zinc/52/47/34/1186524734.db2.gz MTNAMZSTZBSEEB-OAGGEKHMSA-N 0 3 381.517 0.922 20 0 GCADHN O=C(CCN1CCC(C(=O)N2CCOCC2)CC1)NCC(=O)c1ccccc1 ZINC000511119005 1186525103 /nfs/dbraw/zinc/52/51/03/1186525103.db2.gz FGZXQJPXPZJZRF-UHFFFAOYSA-N 0 3 387.480 0.946 20 0 GCADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCN1CCCC1=O ZINC000563350408 1186527261 /nfs/dbraw/zinc/52/72/61/1186527261.db2.gz OJBHZXLMPVBPIK-UHFFFAOYSA-N 0 3 394.903 0.969 20 0 GCADHN CCS(=O)(=O)c1ccc(CCC(=O)NC[C@]2(O)CN3CCC2CC3)cc1 ZINC000582447268 1186534002 /nfs/dbraw/zinc/53/40/02/1186534002.db2.gz DRJMAEKMZSSYBZ-IBGZPJMESA-N 0 3 380.510 0.986 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](CNCc2cnn(C)c2)C1 ZINC001087211928 1186547741 /nfs/dbraw/zinc/54/77/41/1186547741.db2.gz GYEDNZVOIKOARH-LAVFITLUSA-N 0 3 391.516 0.773 20 0 GCADHN Cc1nn(C)cc1CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001087212105 1186550711 /nfs/dbraw/zinc/55/07/11/1186550711.db2.gz NXJARVWMKOOQBV-ISWURRPUSA-N 0 3 377.489 0.478 20 0 GCADHN CCc1n[nH]c(=O)c(CNC(=O)NC[C@H](C)CN2CCN(CC)CC2)c1CC ZINC000159087516 1186557616 /nfs/dbraw/zinc/55/76/16/1186557616.db2.gz KKOHJHAMBHOEDT-HNNXBMFYSA-N 0 3 392.548 0.968 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 ZINC000112921761 1186559548 /nfs/dbraw/zinc/55/95/48/1186559548.db2.gz DKIYIQKOXALKTM-KRWDZBQOSA-N 0 3 396.557 0.697 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2nnn(Cc3ccncc3)c2C)CC1 ZINC000511159778 1186565550 /nfs/dbraw/zinc/56/55/50/1186565550.db2.gz IMDMEIRVHFDQCP-UHFFFAOYSA-N 0 3 399.499 0.656 20 0 GCADHN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000582556534 1186565927 /nfs/dbraw/zinc/56/59/27/1186565927.db2.gz FZUWXBGGVSOTRR-DLBZAZTESA-N 0 3 386.496 0.874 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](CNCc2n[nH]c(C(C)(C)C)n2)C1 ZINC001087214374 1186566164 /nfs/dbraw/zinc/56/61/64/1186566164.db2.gz RVSPQSUEPOURMB-RQJABVFESA-N 0 3 376.505 0.940 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)[C@H](C)C1 ZINC000582563419 1186567993 /nfs/dbraw/zinc/56/79/93/1186567993.db2.gz XCRQJJUTSYIDAL-DLBZAZTESA-N 0 3 396.532 0.319 20 0 GCADHN CN(C)C(=O)N1CCC(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000159349308 1186569901 /nfs/dbraw/zinc/56/99/01/1186569901.db2.gz SVEGCOXPNZQAOZ-LJQANCHMSA-N 0 3 388.512 0.915 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 ZINC000563397684 1186570876 /nfs/dbraw/zinc/57/08/76/1186570876.db2.gz NIYVCBUETQROQL-GOSISDBHSA-N 0 3 381.498 0.236 20 0 GCADHN Cn1cc(CNC[C@H]2CC[C@@H](CO)O2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657472875 1186571068 /nfs/dbraw/zinc/57/10/68/1186571068.db2.gz BBCJBFRELWJLRE-CABCVRRESA-N 0 3 384.436 0.846 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1cc(=O)n(C)c(=O)n1C ZINC001087215635 1186571930 /nfs/dbraw/zinc/57/19/30/1186571930.db2.gz JKRYPZCHBZCLRS-DEICHXMPSA-N 0 3 392.500 0.226 20 0 GCADHN Cn1cc(CNC[C@H]2CCCNC2=O)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657490366 1186582653 /nfs/dbraw/zinc/58/26/53/1186582653.db2.gz KTHQBSAOHHKWNL-CYBMUJFWSA-N 0 3 381.436 0.832 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)Cc1ccccc1 ZINC000611667284 1186590005 /nfs/dbraw/zinc/59/00/05/1186590005.db2.gz YHHNXDSNDRNQOA-SJORKVTESA-N 0 3 382.530 0.883 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000431467856 1186594826 /nfs/dbraw/zinc/59/48/26/1186594826.db2.gz ARRBXXDFQPRGOX-WBVHZDCISA-N 0 3 383.514 0.894 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)[C@H]1c1nccn1C ZINC000626077926 1186599764 /nfs/dbraw/zinc/59/97/64/1186599764.db2.gz UBEUFAVDLRVBHC-IRWJRLHMSA-N 0 3 375.473 0.307 20 0 GCADHN NC(=O)c1cc(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)on1 ZINC000277776871 1186602333 /nfs/dbraw/zinc/60/23/33/1186602333.db2.gz YQBQKSPTTXDIJO-MRXNPFEDSA-N 0 3 387.440 0.864 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)ncn2)CC1 ZINC000277780775 1186605564 /nfs/dbraw/zinc/60/55/64/1186605564.db2.gz LWNAREVCIAGKSJ-IRXDYDNUSA-N 0 3 388.516 0.571 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)CC1 ZINC000657521687 1186610489 /nfs/dbraw/zinc/61/04/89/1186610489.db2.gz QFRNZBRLYDHEKJ-AWEZNQCLSA-N 0 3 387.484 0.053 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)c1ccc(F)cc1 ZINC000116649573 1186610619 /nfs/dbraw/zinc/61/06/19/1186610619.db2.gz VSRLMUBYJDNBNS-MRXNPFEDSA-N 0 3 378.448 0.614 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(OCCC(C)C)nn2)CC1 ZINC000657524518 1186613299 /nfs/dbraw/zinc/61/32/99/1186613299.db2.gz ZLZQNTCTGJNHOI-UHFFFAOYSA-N 0 3 392.504 0.594 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc(OCC(F)(F)C(F)F)nc3)CCN2C1=O ZINC000563439417 1186614521 /nfs/dbraw/zinc/61/45/21/1186614521.db2.gz GFBNUOOCVOYQEZ-WDEREUQCSA-N 0 3 390.337 0.745 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)CCn3c(=O)oc4cc(Cl)ccc43)CCN2C1=O ZINC000563440687 1186615510 /nfs/dbraw/zinc/61/55/10/1186615510.db2.gz JKHREXHWETVNQR-NEPJUHHUSA-N 0 3 378.816 0.408 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(Cc2cscn2)CC1)CN1CCN(C)CC1 ZINC000074657061 1186626032 /nfs/dbraw/zinc/62/60/32/1186626032.db2.gz VTEYBYHHVKNMPK-INIZCTEOSA-N 0 3 380.562 0.854 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCNC(=O)C2CCCCC2)CC1 ZINC000152579949 1186629007 /nfs/dbraw/zinc/62/90/07/1186629007.db2.gz VYCRYBAVSOQZAB-KRWDZBQOSA-N 0 3 378.517 0.838 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000153182820 1186643351 /nfs/dbraw/zinc/64/33/51/1186643351.db2.gz AACCWZPQRSBKTB-CYBMUJFWSA-N 0 3 375.454 0.135 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3nc(C)nn3c2)CC1 ZINC000582756060 1186660051 /nfs/dbraw/zinc/66/00/51/1186660051.db2.gz PWIJCVUWDKQTCH-AWEZNQCLSA-N 0 3 387.488 0.366 20 0 GCADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000657607290 1186662582 /nfs/dbraw/zinc/66/25/82/1186662582.db2.gz YKJIEVVKXDPVPB-YCUKKYJWSA-N 0 3 392.477 0.995 20 0 GCADHN CCn1ncc(C)c1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000657616022 1186664969 /nfs/dbraw/zinc/66/49/69/1186664969.db2.gz GEGMJBHDHPPSIW-CQSZACIVSA-N 0 3 378.477 0.209 20 0 GCADHN CCN(C(C)=O)c1ccc(NC(=O)C(=O)N(CCOC)CCN(C)C)cn1 ZINC000657626510 1186670020 /nfs/dbraw/zinc/67/00/20/1186670020.db2.gz XVRGSFGDZDWCOB-UHFFFAOYSA-N 0 3 379.461 0.430 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000582793219 1186677315 /nfs/dbraw/zinc/67/73/15/1186677315.db2.gz DDSCUJQFJBJLJW-INIZCTEOSA-N 0 3 394.541 0.792 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 ZINC000582794659 1186679553 /nfs/dbraw/zinc/67/95/53/1186679553.db2.gz GKPNXHSCJOJEED-KBXCAEBGSA-N 0 3 381.498 0.235 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@](N)(c3cccc(Cl)c3)C(F)(F)F)CCN2C1=O ZINC000582797440 1186680284 /nfs/dbraw/zinc/68/02/84/1186680284.db2.gz RSMNHSOGHXPINQ-ZOWXZIJZSA-N 0 3 390.793 0.827 20 0 GCADHN COc1cccc(N2C[C@H](NC(=O)C(=O)N3CCN4CCC[C@H]4C3)CC2=O)c1 ZINC000582803551 1186685354 /nfs/dbraw/zinc/68/53/54/1186685354.db2.gz YSRNJBFRWLOKAA-ZBFHGGJFSA-N 0 3 386.452 0.223 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)CN3CSCC3=O)cc2)CC1 ZINC000048842152 1186706970 /nfs/dbraw/zinc/70/69/70/1186706970.db2.gz HQJOCNYOFRCQHF-UHFFFAOYSA-N 0 3 376.526 0.973 20 0 GCADHN Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cnn1C1CCOCC1 ZINC000120368894 1186711645 /nfs/dbraw/zinc/71/16/45/1186711645.db2.gz QPEKERKQOWNJPM-SFHVURJKSA-N 0 3 389.500 0.922 20 0 GCADHN O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000657687858 1186720705 /nfs/dbraw/zinc/72/07/05/1186720705.db2.gz LSAUXIJTHNLOGX-GOSISDBHSA-N 0 3 384.480 0.668 20 0 GCADHN CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000657693455 1186722399 /nfs/dbraw/zinc/72/23/99/1186722399.db2.gz MZTGZXRZYBTPIW-AWEZNQCLSA-N 0 3 396.513 0.869 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000121026778 1186728245 /nfs/dbraw/zinc/72/82/45/1186728245.db2.gz ZRZOBEBIPGNZDP-HNNXBMFYSA-N 0 3 399.495 0.445 20 0 GCADHN CCN(C(C)=O)c1ccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cn1 ZINC000657699426 1186730022 /nfs/dbraw/zinc/73/00/22/1186730022.db2.gz ILPKGYMVXJEJMG-SFHVURJKSA-N 0 3 393.513 0.946 20 0 GCADHN C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000582922392 1186730429 /nfs/dbraw/zinc/73/04/29/1186730429.db2.gz VVRGRIXNCFVWJW-PMPSAXMXSA-N 0 3 392.504 0.131 20 0 GCADHN C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000582922390 1186730572 /nfs/dbraw/zinc/73/05/72/1186730572.db2.gz VVRGRIXNCFVWJW-HRCADAONSA-N 0 3 392.504 0.131 20 0 GCADHN Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000121986368 1186731155 /nfs/dbraw/zinc/73/11/55/1186731155.db2.gz XVIKYCDOJIPMIX-UEIJICEPSA-N 0 3 383.500 0.979 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCc1c[nH]c2ncccc12 ZINC000582925139 1186731580 /nfs/dbraw/zinc/73/15/80/1186731580.db2.gz YLRLBJAKFNNWFD-MRXNPFEDSA-N 0 3 387.484 0.791 20 0 GCADHN CCN(CC)C(=O)C1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000153616406 1186736891 /nfs/dbraw/zinc/73/68/91/1186736891.db2.gz RCCCTESFDJMGPU-UHFFFAOYSA-N 0 3 390.488 0.014 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4cccc(Cl)c4)CC3)CCN2C1=O ZINC000582976269 1186740163 /nfs/dbraw/zinc/74/01/63/1186740163.db2.gz OUBYPEBMNXLKRO-CABCVRRESA-N 0 3 390.871 0.258 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@H](C)C2)CN1C1CC1 ZINC000582991016 1186743249 /nfs/dbraw/zinc/74/32/49/1186743249.db2.gz TTZAGCJSOVWCFL-BMGDNIKJSA-N 0 3 392.544 0.828 20 0 GCADHN COc1ccccc1CN(C)C(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000162218895 1186745258 /nfs/dbraw/zinc/74/52/58/1186745258.db2.gz FAQSAFWNZUALMG-SFHVURJKSA-N 0 3 388.512 0.892 20 0 GCADHN COCc1ccccc1CNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000162233386 1186747121 /nfs/dbraw/zinc/74/71/21/1186747121.db2.gz QNESYJWKTWEANB-LJQANCHMSA-N 0 3 388.512 0.688 20 0 GCADHN Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000583018924 1186748594 /nfs/dbraw/zinc/74/85/94/1186748594.db2.gz LXCBWBUMORAGTI-LBPRGKRZSA-N 0 3 387.406 0.967 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCOCC1)c1cccc(CN2CCCC2)c1 ZINC000052054831 1186750540 /nfs/dbraw/zinc/75/05/40/1186750540.db2.gz XDYCGTATXMKLHH-UHFFFAOYSA-N 0 3 381.498 0.674 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C[C@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000278054905 1186761123 /nfs/dbraw/zinc/76/11/23/1186761123.db2.gz DTTFGADPROXYHH-VDZJLULYSA-N 0 3 397.468 0.559 20 0 GCADHN C[C@H]1CN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CCN(C2CC2)C1 ZINC000583069306 1186763367 /nfs/dbraw/zinc/76/33/67/1186763367.db2.gz ADBXXJLTYPPJLV-CQSZACIVSA-N 0 3 377.489 0.977 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000657727260 1186766180 /nfs/dbraw/zinc/76/61/80/1186766180.db2.gz OJWSNYXRBFCPFU-UHFFFAOYSA-N 0 3 376.413 0.575 20 0 GCADHN Cc1nccn1-c1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1F ZINC000583095959 1186769029 /nfs/dbraw/zinc/76/90/29/1186769029.db2.gz XAKMZKQUCHJCAE-GDBMZVCRSA-N 0 3 386.431 0.773 20 0 GCADHN Cc1nccn1-c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1F ZINC000583095961 1186769037 /nfs/dbraw/zinc/76/90/37/1186769037.db2.gz XAKMZKQUCHJCAE-HOCLYGCPSA-N 0 3 386.431 0.773 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC[C@H](O)CN3C(=O)c4ccccc4C3=O)C2=O)n1 ZINC000583139000 1186779735 /nfs/dbraw/zinc/77/97/35/1186779735.db2.gz RRKKKHWDCFCIAV-BBRMVZONSA-N 0 3 397.435 0.162 20 0 GCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000583157828 1186784224 /nfs/dbraw/zinc/78/42/24/1186784224.db2.gz CWPLHJRTXWOEKA-OALUTQOASA-N 0 3 398.507 0.821 20 0 GCADHN CCOC(=O)N1CCC(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000728551203 1186785483 /nfs/dbraw/zinc/78/54/83/1186785483.db2.gz FEQPWDLCWHXOTB-UHFFFAOYSA-N 0 3 380.489 0.622 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583171265 1186787557 /nfs/dbraw/zinc/78/75/57/1186787557.db2.gz IIXKTLLRXNQPGF-LSDHHAIUSA-N 0 3 379.505 0.286 20 0 GCADHN O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC[C@@H]1CCCCN1CCO ZINC000458411922 1186788046 /nfs/dbraw/zinc/78/80/46/1186788046.db2.gz AWPYLTVOVMQMPM-SFHVURJKSA-N 0 3 395.548 0.077 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000583194741 1186792527 /nfs/dbraw/zinc/79/25/27/1186792527.db2.gz NROASGMCVIZQQS-SJORKVTESA-N 0 3 380.533 0.689 20 0 GCADHN CN(C)c1nccc(CNC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)n1 ZINC000685094535 1186792594 /nfs/dbraw/zinc/79/25/94/1186792594.db2.gz TVGZGMKIPRJFIE-GOSISDBHSA-N 0 3 396.495 0.892 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000162657573 1186793394 /nfs/dbraw/zinc/79/33/94/1186793394.db2.gz DLVBJSVLKWQWIG-GOSISDBHSA-N 0 3 394.541 0.675 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000511234672 1186798082 /nfs/dbraw/zinc/79/80/82/1186798082.db2.gz OWALJKMTMCCCHI-IAGOWNOFSA-N 0 3 395.548 0.505 20 0 GCADHN O=C(C(=O)N1CCN(C[C@@H]2CCCO2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000657745411 1186805933 /nfs/dbraw/zinc/80/59/33/1186805933.db2.gz PXBGZKOGPSZDEZ-ROUUACIJSA-N 0 3 378.517 0.396 20 0 GCADHN COc1cccc(CN(C)C(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000162805026 1186811148 /nfs/dbraw/zinc/81/11/48/1186811148.db2.gz KJRNGZSVYYGTJP-IBGZPJMESA-N 0 3 388.512 0.892 20 0 GCADHN COc1cccc(CN(C)C(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000162804905 1186811447 /nfs/dbraw/zinc/81/14/47/1186811447.db2.gz KJRNGZSVYYGTJP-LJQANCHMSA-N 0 3 388.512 0.892 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OC(F)F)nc2)CC1 ZINC000583275609 1186813433 /nfs/dbraw/zinc/81/34/33/1186813433.db2.gz NVFVFUNIIZPHAH-GFCCVEGCSA-N 0 3 385.415 0.764 20 0 GCADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCNC(=O)C[C@H]1C ZINC000685119998 1186826733 /nfs/dbraw/zinc/82/67/33/1186826733.db2.gz NXNXTFOZAQPSFE-SJLPKXTDSA-N 0 3 388.512 0.996 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000685119999 1186827110 /nfs/dbraw/zinc/82/71/10/1186827110.db2.gz NXNXTFOZAQPSFE-WMZOPIPTSA-N 0 3 388.512 0.996 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)C1=O ZINC000583378884 1186840428 /nfs/dbraw/zinc/84/04/28/1186840428.db2.gz RFHBKQGDOWGKDE-MRXNPFEDSA-N 0 3 383.537 0.075 20 0 GCADHN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262287877 1186846002 /nfs/dbraw/zinc/84/60/02/1186846002.db2.gz ZUZAPBCFAXYYQZ-MRXNPFEDSA-N 0 3 391.491 0.592 20 0 GCADHN COC(=O)Cn1cc(CCN2CCC(C(=O)N3CCC(C)CC3)CC2)nn1 ZINC000156236671 1186846642 /nfs/dbraw/zinc/84/66/42/1186846642.db2.gz WMZQYRNIYAUTSB-UHFFFAOYSA-N 0 3 377.489 0.964 20 0 GCADHN CN(C)[C@@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)Cc1ccccc1 ZINC000536013763 1186847718 /nfs/dbraw/zinc/84/77/18/1186847718.db2.gz MRAOQFWUHJQANB-OAHLLOKOSA-N 0 3 381.436 0.937 20 0 GCADHN Cc1nn(C)c2cc(NC(=O)C(=O)NCCCCN3CCN(C)CC3)ccc12 ZINC000583415244 1186849038 /nfs/dbraw/zinc/84/90/38/1186849038.db2.gz QQGCQPPHYOIADK-UHFFFAOYSA-N 0 3 386.500 0.964 20 0 GCADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156326373 1186851635 /nfs/dbraw/zinc/85/16/35/1186851635.db2.gz AWPZYMBWASMBRD-KRWDZBQOSA-N 0 3 388.512 0.753 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000583441006 1186855536 /nfs/dbraw/zinc/85/55/36/1186855536.db2.gz IGUARVYXQAAGCK-GOSISDBHSA-N 0 3 388.512 0.640 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2c(F)cccc2F)CC1 ZINC000127589061 1186868936 /nfs/dbraw/zinc/86/89/36/1186868936.db2.gz IEKKBKBUCOHSLG-AWEZNQCLSA-N 0 3 380.395 0.668 20 0 GCADHN COCCO[C@H]1C[C@H](CO)CN(CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000278282598 1186871399 /nfs/dbraw/zinc/87/13/99/1186871399.db2.gz KEPBLMKFJJKEFM-STQMWFEESA-N 0 3 385.486 0.521 20 0 GCADHN CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000049053986 1186873814 /nfs/dbraw/zinc/87/38/14/1186873814.db2.gz KOTVWEJJZGQJEX-OAHLLOKOSA-N 0 3 389.500 0.403 20 0 GCADHN CN(C)[C@@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000022757612 1186877275 /nfs/dbraw/zinc/87/72/75/1186877275.db2.gz CEBNCYIXBDKLCS-INIZCTEOSA-N 0 3 381.436 0.665 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)N(C)C ZINC000128028360 1186880281 /nfs/dbraw/zinc/88/02/81/1186880281.db2.gz URLHSFWQFZYRTN-GOSISDBHSA-N 0 3 376.505 0.548 20 0 GCADHN Cc1cc(CNC(=O)N[C@H](C)CCN2CCN(C)CC2)ccc1S(N)(=O)=O ZINC000278302924 1186880995 /nfs/dbraw/zinc/88/09/95/1186880995.db2.gz RSWDSIUEOPREEI-OAHLLOKOSA-N 0 3 397.545 0.468 20 0 GCADHN CNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)cc1Cl ZINC000148660011 1186882595 /nfs/dbraw/zinc/88/25/95/1186882595.db2.gz WGEITVYBQWLLQR-UHFFFAOYSA-N 0 3 396.875 0.865 20 0 GCADHN COCCO[C@H]1C[C@@H](CO)CN(CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000278352438 1186904848 /nfs/dbraw/zinc/90/48/48/1186904848.db2.gz QNBSCIKYNUNXCD-ZBFHGGJFSA-N 0 3 388.486 0.059 20 0 GCADHN COc1cc(OC)c(OC)cc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583642662 1186906413 /nfs/dbraw/zinc/90/64/13/1186906413.db2.gz PRRUCXFKGOVFDC-STQMWFEESA-N 0 3 378.429 0.166 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)CC[C@H]1CCCO1 ZINC000467133478 1186909500 /nfs/dbraw/zinc/90/95/00/1186909500.db2.gz JMBCYYBLJMDFTP-GOEBONIOSA-N 0 3 383.514 0.882 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000685175333 1186911789 /nfs/dbraw/zinc/91/17/89/1186911789.db2.gz ZLVSKXUFCQTPRY-YCPHGPKFSA-N 0 3 390.488 0.021 20 0 GCADHN CO[C@]1(C)C[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1(C)C ZINC000685185374 1186921581 /nfs/dbraw/zinc/92/15/81/1186921581.db2.gz HRHLHYVATJYATK-AUSJPIAWSA-N 0 3 394.516 0.071 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000278386859 1186925788 /nfs/dbraw/zinc/92/57/88/1186925788.db2.gz UYFMSOSYXUAHCS-GVDBMIGSSA-N 0 3 399.484 0.789 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCCS2)CC1 ZINC000685191934 1186928833 /nfs/dbraw/zinc/92/88/33/1186928833.db2.gz BQVIVDURNPPUJY-GJZGRUSLSA-N 0 3 382.530 0.153 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCCN1CC(F)(F)F ZINC000926524172 1186929389 /nfs/dbraw/zinc/92/93/89/1186929389.db2.gz BVXYVTNSAXHWBS-CYBMUJFWSA-N 0 3 381.443 0.675 20 0 GCADHN C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000728575853 1186936274 /nfs/dbraw/zinc/93/62/74/1186936274.db2.gz KIVNSRVEQSSVIB-CYBMUJFWSA-N 0 3 393.513 0.414 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccnn1C ZINC000611790456 1186946139 /nfs/dbraw/zinc/94/61/39/1186946139.db2.gz WDAOMVYCKVDOSO-SJORKVTESA-N 0 3 391.516 0.645 20 0 GCADHN CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3C[C@H]4CN(C)C[C@H]4C3)ccc2O1 ZINC000278474108 1186955909 /nfs/dbraw/zinc/95/59/09/1186955909.db2.gz ZZFKMWAHLBJSJN-JKIFEVAISA-N 0 3 380.466 0.735 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCc3ccn(C)n3)CC2)C[C@@H](C)O1 ZINC000583890121 1186958147 /nfs/dbraw/zinc/95/81/47/1186958147.db2.gz QSVBUTMCILZTRI-HUUCEWRRSA-N 0 3 377.489 0.384 20 0 GCADHN COc1cc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000548815648 1186961420 /nfs/dbraw/zinc/96/14/20/1186961420.db2.gz HXBFMSLUVWFEQU-GFCCVEGCSA-N 0 3 383.470 0.495 20 0 GCADHN Cc1nn2c(nc(C)cc2C)c1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000536174245 1186970758 /nfs/dbraw/zinc/97/07/58/1186970758.db2.gz HBEMODGGLVSMTF-UHFFFAOYSA-N 0 3 388.516 0.774 20 0 GCADHN COC(=O)c1cn(CCNC(=O)N(CCN(C)C)Cc2ccsc2)nn1 ZINC000458745993 1186972689 /nfs/dbraw/zinc/97/26/89/1186972689.db2.gz AWKVAARZNHDNGP-UHFFFAOYSA-N 0 3 380.474 0.900 20 0 GCADHN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)N[C@@H]1CCCN(CCCO)C1 ZINC000458754295 1186975680 /nfs/dbraw/zinc/97/56/80/1186975680.db2.gz KVUWQYHXWUFYOK-ZIAGYGMSSA-N 0 3 382.427 0.396 20 0 GCADHN CSc1cccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2=O)c1 ZINC000584005363 1186978305 /nfs/dbraw/zinc/97/83/05/1186978305.db2.gz QXXMYHCJDAPMDI-XNRPHZJLSA-N 0 3 388.493 0.532 20 0 GCADHN C[C@H](C(=O)N(C)C)S(=O)(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000278627624 1186998262 /nfs/dbraw/zinc/99/82/62/1186998262.db2.gz GPCGQOQQNYILPK-PBHICJAKSA-N 0 3 383.514 0.539 20 0 GCADHN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000278627634 1186998348 /nfs/dbraw/zinc/99/83/48/1186998348.db2.gz GPCGQOQQNYILPK-WMLDXEAASA-N 0 3 383.514 0.539 20 0 GCADHN CC1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000584124745 1187002497 /nfs/dbraw/zinc/00/24/97/1187002497.db2.gz PFLZVQIZNORNFZ-ALOPSCKCSA-N 0 3 376.501 0.543 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000584150870 1187006576 /nfs/dbraw/zinc/00/65/76/1187006576.db2.gz REEKNOJPNLLZLX-ZDUSSCGKSA-N 0 3 393.513 0.629 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccn(C(C)C)n2)CC1 ZINC000584163580 1187008244 /nfs/dbraw/zinc/00/82/44/1187008244.db2.gz PDMMRNNLEVACES-INIZCTEOSA-N 0 3 378.521 0.470 20 0 GCADHN CCN(C)C(=O)CNC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000584196292 1187013577 /nfs/dbraw/zinc/01/35/77/1187013577.db2.gz MIGXLGNNYXUAMU-AWEZNQCLSA-N 0 3 375.473 0.318 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccncc3OCC(F)(F)F)CCN2C1=O ZINC000584243726 1187020564 /nfs/dbraw/zinc/02/05/64/1187020564.db2.gz WQJSCKVLEMMYNA-NEPJUHHUSA-N 0 3 387.362 0.476 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)[nH]c(=O)n4CC(F)(F)F)CCN2C1=O ZINC000584242679 1187020644 /nfs/dbraw/zinc/02/06/44/1187020644.db2.gz BWDXYMMMDZSACI-GHMZBOCLSA-N 0 3 397.357 0.688 20 0 GCADHN COC(=O)c1cc(NC(=O)CN[C@@H](CO)C2CCOCC2)cc(C(=O)OC)c1 ZINC000611809913 1187021371 /nfs/dbraw/zinc/02/13/71/1187021371.db2.gz VAVXAOMTHQEGFY-INIZCTEOSA-N 0 3 394.424 0.575 20 0 GCADHN Cn1cc(-c2ccc(NC(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)nn2)cn1 ZINC000278692271 1187022099 /nfs/dbraw/zinc/02/20/99/1187022099.db2.gz IXRUBZJOGCZNJZ-MRXNPFEDSA-N 0 3 398.471 0.647 20 0 GCADHN CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1(C)C ZINC000584257601 1187023013 /nfs/dbraw/zinc/02/30/13/1187023013.db2.gz AIHLLDSDOBJIRW-SJORKVTESA-N 0 3 382.549 0.791 20 0 GCADHN CNC(=O)[C@@H](NC(=O)CN1CCN(C2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000278697270 1187023805 /nfs/dbraw/zinc/02/38/05/1187023805.db2.gz PXXXBOFRCQODCE-UZLBHIALSA-N 0 3 388.512 0.775 20 0 GCADHN C[C@@H](O)CN(C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1)[C@H](C)CO ZINC000584283676 1187025941 /nfs/dbraw/zinc/02/59/41/1187025941.db2.gz UZHSAWXSUIVAMK-IAGOWNOFSA-N 0 3 383.533 0.739 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000584297722 1187028029 /nfs/dbraw/zinc/02/80/29/1187028029.db2.gz XBHBZCNJWFELFN-FOIQADDNSA-N 0 3 397.516 0.398 20 0 GCADHN CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000584302734 1187028767 /nfs/dbraw/zinc/02/87/67/1187028767.db2.gz MKONDJBEKYEJFI-DLBZAZTESA-N 0 3 387.484 0.351 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)CCN2C1=O ZINC000584302822 1187028780 /nfs/dbraw/zinc/02/87/80/1187028780.db2.gz OPQGKPUPAYCCPN-OCCSQVGLSA-N 0 3 394.859 0.955 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000584362523 1187039495 /nfs/dbraw/zinc/03/94/95/1187039495.db2.gz FKGBZAYLDWVJDP-BZSNNMDCSA-N 0 3 386.496 0.388 20 0 GCADHN COc1ccc(-c2noc(CCC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)n2)cc1 ZINC000584361817 1187040166 /nfs/dbraw/zinc/04/01/66/1187040166.db2.gz DWLKIAPYCVRUNU-HIFRSBDPSA-N 0 3 385.424 0.448 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)nc1 ZINC000278738696 1187041847 /nfs/dbraw/zinc/04/18/47/1187041847.db2.gz UAGIXIALFLENGL-ZDUSSCGKSA-N 0 3 397.501 0.707 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000611838160 1187046607 /nfs/dbraw/zinc/04/66/07/1187046607.db2.gz GRYZCYJOJFFHOT-CABCVRRESA-N 0 3 380.533 0.986 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN(C)c2ncnc3nc[nH]c32)C[C@H](C)O1 ZINC000085456178 1187054796 /nfs/dbraw/zinc/05/47/96/1187054796.db2.gz UBBUCEMKLRCVQR-OKILXGFUSA-N 0 3 375.477 0.795 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000248791562 1187075562 /nfs/dbraw/zinc/07/55/62/1187075562.db2.gz IUJGYLKZYXBVML-DJIMGWMZSA-N 0 3 380.514 0.840 20 0 GCADHN COCCN1CCC(NC(=O)NCc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000140292135 1187080113 /nfs/dbraw/zinc/08/01/13/1187080113.db2.gz OHHMUDUIAOEOKS-UHFFFAOYSA-N 0 3 384.502 0.968 20 0 GCADHN COCCN1CCC(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000141462429 1187080341 /nfs/dbraw/zinc/08/03/41/1187080341.db2.gz KOBFXIBIXVGTQR-LIRRHRJNSA-N 0 3 380.489 0.714 20 0 GCADHN CCN1CCN(CC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C(=O)C1=O ZINC000143090231 1187080353 /nfs/dbraw/zinc/08/03/53/1187080353.db2.gz XVTPJDJUWNTZQV-GOSISDBHSA-N 0 3 386.496 0.939 20 0 GCADHN COCCN1CCC(NC(=O)[C@@H](Cc2cccc(OC)c2)NC(C)=O)CC1 ZINC000141350998 1187080671 /nfs/dbraw/zinc/08/06/71/1187080671.db2.gz MIKPQXLWLAXZKS-LJQANCHMSA-N 0 3 377.485 0.969 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000148660645 1187087512 /nfs/dbraw/zinc/08/75/12/1187087512.db2.gz XWLPKRODIBLQLY-UHFFFAOYSA-N 0 3 390.484 0.689 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1CN(C)CCO1 ZINC000685342084 1187108431 /nfs/dbraw/zinc/10/84/31/1187108431.db2.gz VYQHBSXMANTQIW-QAPCUYQASA-N 0 3 394.491 0.551 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000511282974 1187121517 /nfs/dbraw/zinc/12/15/17/1187121517.db2.gz CFMYMQYCMHZGCR-OAHLLOKOSA-N 0 3 388.534 0.330 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)CCN1CC(C)(C)O ZINC000685501644 1187137568 /nfs/dbraw/zinc/13/75/68/1187137568.db2.gz VRXRTLJCZPPSCT-NVXWUHKLSA-N 0 3 380.533 0.423 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C)CC1 ZINC000685496121 1187137697 /nfs/dbraw/zinc/13/76/97/1187137697.db2.gz MUSIQRROYJIADI-HNNXBMFYSA-N 0 3 398.467 0.954 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)CCN1CC(C)(C)O ZINC000685501646 1187138168 /nfs/dbraw/zinc/13/81/68/1187138168.db2.gz VRXRTLJCZPPSCT-WBVHZDCISA-N 0 3 380.533 0.423 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000611940298 1187146844 /nfs/dbraw/zinc/14/68/44/1187146844.db2.gz UYEAUMBMEFDNBQ-YESZJQIVSA-N 0 3 391.516 0.993 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000246880656 1187152248 /nfs/dbraw/zinc/15/22/48/1187152248.db2.gz DIACXPGTBSYKHF-MKXGPGLRSA-N 0 3 394.560 0.885 20 0 GCADHN O=C(NCc1nc(C[NH2+]C[C@H]2CCCOC2)cc(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001087258228 1187158789 /nfs/dbraw/zinc/15/87/89/1187158789.db2.gz AWMZCNMKHOBGTF-HEGZZJKFSA-N 0 3 388.468 0.738 20 0 GCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685610356 1187182574 /nfs/dbraw/zinc/18/25/74/1187182574.db2.gz OPVIRCQDQYFFFS-UHFFFAOYSA-N 0 3 399.494 0.492 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CCN(C2CCC2)C1 ZINC000657964813 1187218836 /nfs/dbraw/zinc/21/88/36/1187218836.db2.gz OUJPDGZIYDDAMP-CQSZACIVSA-N 0 3 376.457 0.724 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)cs1 ZINC000657996064 1187228804 /nfs/dbraw/zinc/22/88/04/1187228804.db2.gz YKCXGBLFEWHDQV-KRWDZBQOSA-N 0 3 391.541 0.792 20 0 GCADHN O=C(NCCN1CCCC1=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612035036 1187243033 /nfs/dbraw/zinc/24/30/33/1187243033.db2.gz XGUQATGEAIRSEE-UHFFFAOYSA-N 0 3 387.484 0.148 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000612043412 1187244160 /nfs/dbraw/zinc/24/41/60/1187244160.db2.gz FXXWLKKXQISGPQ-ZACQAIPSSA-N 0 3 376.501 0.590 20 0 GCADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1=O ZINC000612044322 1187245413 /nfs/dbraw/zinc/24/54/13/1187245413.db2.gz LHYCKJUSLGJLSI-XHSDSOJGSA-N 0 3 378.517 0.883 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1S(N)(=O)=O ZINC000658262940 1187263004 /nfs/dbraw/zinc/26/30/04/1187263004.db2.gz XCEOOHAWMMXVPR-ZDUSSCGKSA-N 0 3 382.486 0.570 20 0 GCADHN O=C(C(=O)N1CCN([C@@H]2CCOC2)CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000658505416 1187319169 /nfs/dbraw/zinc/31/91/69/1187319169.db2.gz CCCLLCXNQBZRPB-ZWKOTPCHSA-N 0 3 378.517 0.396 20 0 GCADHN O=C(C(=O)N1CCN([C@H]2CCOC2)CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000658505413 1187319328 /nfs/dbraw/zinc/31/93/28/1187319328.db2.gz CCCLLCXNQBZRPB-MSOLQXFVSA-N 0 3 378.517 0.396 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccc(OCC(=O)OC)c2)CC1 ZINC000148618659 1187329899 /nfs/dbraw/zinc/32/98/99/1187329899.db2.gz XBRRLYPRPJABEN-UHFFFAOYSA-N 0 3 393.440 0.404 20 0 GCADHN O=C(C(=O)N1CC[C@H](N2CCCCC2)C1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658540137 1187332497 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CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 ZINC000658779182 1187460516 /nfs/dbraw/zinc/46/05/16/1187460516.db2.gz SKLXEBLNLRYHOH-HOCLYGCPSA-N 0 3 386.452 0.431 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000658779898 1187462172 /nfs/dbraw/zinc/46/21/72/1187462172.db2.gz ULYVGGNPOKWPOI-OAHLLOKOSA-N 0 3 394.497 0.766 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)C1 ZINC000658783440 1187464313 /nfs/dbraw/zinc/46/43/13/1187464313.db2.gz LRRKQYMOPQAYJW-ZDUSSCGKSA-N 0 3 383.470 0.638 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000375908114 1187482981 /nfs/dbraw/zinc/48/29/81/1187482981.db2.gz VEBWBZPCZOCWDQ-INIZCTEOSA-N 0 3 377.489 0.706 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000612479960 1187503561 /nfs/dbraw/zinc/50/35/61/1187503561.db2.gz FMOLWSBERUZIJV-GOSISDBHSA-N 0 3 394.560 0.794 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000612481047 1187503991 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GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H](C)CN3CCC(C)CC3)CC2)no1 ZINC000612488157 1187507124 /nfs/dbraw/zinc/50/71/24/1187507124.db2.gz XRDPEUFSHNRQPD-INIZCTEOSA-N 0 3 391.516 0.864 20 0 GCADHN O=C(Nc1cccc2c1OCCC2=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000658801987 1187515297 /nfs/dbraw/zinc/51/52/97/1187515297.db2.gz GQMIRIQPILSKDN-AWEZNQCLSA-N 0 3 387.436 0.960 20 0 GCADHN CN1CCOc2ccc(NC(=O)C(=O)NC3CCN([C@@H]4CCOC4)CC3)cc21 ZINC000658802030 1187516063 /nfs/dbraw/zinc/51/60/63/1187516063.db2.gz HZGYNDIBSJJRCF-MRXNPFEDSA-N 0 3 388.468 0.823 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000612544001 1187518163 /nfs/dbraw/zinc/51/81/63/1187518163.db2.gz UZTQBVVDMKTITM-UKRRQHHQSA-N 0 3 396.513 0.454 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)C1 ZINC000612543475 1187519744 /nfs/dbraw/zinc/51/97/44/1187519744.db2.gz PVQXMUFYFRCXGN-AEFFLSMTSA-N 0 3 375.469 0.893 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)C1 ZINC000612548998 1187519868 /nfs/dbraw/zinc/51/98/68/1187519868.db2.gz UNAWMZKAAIFADV-QGZVFWFLSA-N 0 3 396.495 0.812 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(Oc3ncc(C)cn3)CC2)C1 ZINC000612541594 1187520257 /nfs/dbraw/zinc/52/02/57/1187520257.db2.gz DITNVUAQNZIDEG-OAHLLOKOSA-N 0 3 375.473 0.755 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(CCOc3ccccc3)CC2)C1 ZINC000612553462 1187521319 /nfs/dbraw/zinc/52/13/19/1187521319.db2.gz WHTWCFQKMXSGIM-GOSISDBHSA-N 0 3 388.512 0.810 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3csc(C)n3)CC2)C1 ZINC000612553296 1187521922 /nfs/dbraw/zinc/52/19/22/1187521922.db2.gz UGEKPIIYQDOWDV-OAHLLOKOSA-N 0 3 379.530 0.696 20 0 GCADHN CO[C@H](CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1CCCC1 ZINC000668778230 1187525648 /nfs/dbraw/zinc/52/56/48/1187525648.db2.gz LGDCFVQEHFGMFH-IAGOWNOFSA-N 0 3 396.532 0.367 20 0 GCADHN Cc1ccc2c(c1)CN(C(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CC2 ZINC000658808709 1187530292 /nfs/dbraw/zinc/53/02/92/1187530292.db2.gz OKMBTWOJMYFCFB-IBGZPJMESA-N 0 3 398.507 0.645 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000612591818 1187534158 /nfs/dbraw/zinc/53/41/58/1187534158.db2.gz JLDSOELZCHPZMB-GOSISDBHSA-N 0 3 391.512 0.774 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000612594304 1187535005 /nfs/dbraw/zinc/53/50/05/1187535005.db2.gz JOFFFUHDKBEXBW-QZTJIDSGSA-N 0 3 379.501 0.774 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000612594634 1187535558 /nfs/dbraw/zinc/53/55/58/1187535558.db2.gz NZMQXTAMMSQDBC-ZWKOTPCHSA-N 0 3 379.501 0.774 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@@H](C(F)(F)F)O1 ZINC000612594886 1187535750 /nfs/dbraw/zinc/53/57/50/1187535750.db2.gz CZJMKBARXHCLRH-BNOWGMLFSA-N 0 3 393.406 0.534 20 0 GCADHN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612594901 1187535791 /nfs/dbraw/zinc/53/57/91/1187535791.db2.gz POSFVSZTMUOHCS-HIFRSBDPSA-N 0 3 382.505 0.118 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCc2ccccc2[C@H]1CO ZINC000612596610 1187536464 /nfs/dbraw/zinc/53/64/64/1187536464.db2.gz QHQDSPXMMJSIGT-IEBWSBKVSA-N 0 3 387.480 0.474 20 0 GCADHN CC1(C)CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@@]2(CCOC2)O1 ZINC000612595813 1187536786 /nfs/dbraw/zinc/53/67/86/1187536786.db2.gz PTHIUBDXCYQHAH-OXQOHEQNSA-N 0 3 395.500 0.152 20 0 GCADHN CN1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)Cc2ccccc21 ZINC000612599007 1187538702 /nfs/dbraw/zinc/53/87/02/1187538702.db2.gz NDHPAUGUYMJTPB-GOSISDBHSA-N 0 3 386.496 0.835 20 0 GCADHN CN1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)Cc2ccccc21 ZINC000612599008 1187538808 /nfs/dbraw/zinc/53/88/08/1187538808.db2.gz NDHPAUGUYMJTPB-SFHVURJKSA-N 0 3 386.496 0.835 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000570162204 1187540256 /nfs/dbraw/zinc/54/02/56/1187540256.db2.gz BKDDEGVZZFNEDZ-SJORKVTESA-N 0 3 394.516 0.074 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000612603987 1187540263 /nfs/dbraw/zinc/54/02/63/1187540263.db2.gz OETGVGLGVQWENA-CQSZACIVSA-N 0 3 392.422 0.062 20 0 GCADHN CCOC(=O)c1sc(CNC(=O)C(=O)N(C)CCN(C)C2CC2)nc1C ZINC000588995489 1187545581 /nfs/dbraw/zinc/54/55/81/1187545581.db2.gz BJHUINGSJPONDK-UHFFFAOYSA-N 0 3 382.486 0.797 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1C(=O)OC(C)C ZINC000570293271 1187563259 /nfs/dbraw/zinc/56/32/59/1187563259.db2.gz NLETZWBXTJAMQG-CJNGLKHVSA-N 0 3 395.481 0.493 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000376077569 1187588917 /nfs/dbraw/zinc/58/89/17/1187588917.db2.gz BHGGSOQXGXCMRJ-MRXNPFEDSA-N 0 3 395.548 0.434 20 0 GCADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cn(C2CCOCC2)nn1 ZINC000644005751 1187606005 /nfs/dbraw/zinc/60/60/05/1187606005.db2.gz NKVFURROLYCEKX-HXUWFJFHSA-N 0 3 385.468 0.996 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612990715 1187630328 /nfs/dbraw/zinc/63/03/28/1187630328.db2.gz VTHZWPTXEAXVGY-CQSZACIVSA-N 0 3 388.440 0.684 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000584505981 1187644562 /nfs/dbraw/zinc/64/45/62/1187644562.db2.gz ARTCACDZZFSOAW-QGZVFWFLSA-N 0 3 394.516 0.664 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccc3c2OCO3)CC1 ZINC000548979793 1187647289 /nfs/dbraw/zinc/64/72/89/1187647289.db2.gz FFZQXVUNXJIXLD-UHFFFAOYSA-N 0 3 383.470 0.590 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)NC1CCC2(CC1)NC(=O)NC2=O ZINC000376200204 1187666856 /nfs/dbraw/zinc/66/68/56/1187666856.db2.gz OYSDCPSCEBAVOO-UHFFFAOYSA-N 0 3 378.473 0.659 20 0 GCADHN O=C(CNC(=O)C1CC[NH+](C2CC2)CC1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000431754671 1187679835 /nfs/dbraw/zinc/67/98/35/1187679835.db2.gz APODRNFMGMKBTI-UHFFFAOYSA-N 0 3 385.424 0.970 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)CNS(=O)(=O)N(C)C)c2)CC1 ZINC000613176565 1187686206 /nfs/dbraw/zinc/68/62/06/1187686206.db2.gz BKRXLIWEHVCVMM-UHFFFAOYSA-N 0 3 383.518 0.552 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000658878660 1187705132 /nfs/dbraw/zinc/70/51/32/1187705132.db2.gz KZWFIFXTPXWJLH-UHFFFAOYSA-N 0 3 380.533 0.502 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NCC(C)(C)OCCO)cn2)CC1 ZINC000511486378 1187724481 /nfs/dbraw/zinc/72/44/81/1187724481.db2.gz HDSMYXUHHWBCIG-UHFFFAOYSA-N 0 3 394.472 0.397 20 0 GCADHN CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)c1nnc(N(C)C)n1C(C)C ZINC000414215604 1187766422 /nfs/dbraw/zinc/76/64/22/1187766422.db2.gz XWHGOWFPFMZUJZ-NSHDSACASA-N 0 3 388.494 0.569 20 0 GCADHN CNC(=O)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCC(C)CC2)n1C1CC1 ZINC000414215851 1187767126 /nfs/dbraw/zinc/76/71/26/1187767126.db2.gz YMFZJRXWTRHKQB-LLVKDONJSA-N 0 3 398.489 0.467 20 0 GCADHN CN1CCN(CCNC(=O)N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)CC1(C)C ZINC000332783334 1187772390 /nfs/dbraw/zinc/77/23/90/1187772390.db2.gz KQBLYDBUAHVGPK-HLIPFELVSA-N 0 3 382.549 0.974 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)[C@@H]2C1 ZINC000332835484 1187787842 /nfs/dbraw/zinc/78/78/42/1187787842.db2.gz DNCHJXCWATVJOF-FUHWJXTLSA-N 0 3 377.533 0.666 20 0 GCADHN CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000549046731 1187791153 /nfs/dbraw/zinc/79/11/53/1187791153.db2.gz ZLVATEYAXBXQTA-INIZCTEOSA-N 0 3 394.520 0.766 20 0 GCADHN CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000549046732 1187791324 /nfs/dbraw/zinc/79/13/24/1187791324.db2.gz ZLVATEYAXBXQTA-MRXNPFEDSA-N 0 3 394.520 0.766 20 0 GCADHN COC(=O)c1cn(CC(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)nn1 ZINC000376357454 1187791336 /nfs/dbraw/zinc/79/13/36/1187791336.db2.gz YAWPNYMPSCDUHZ-UHFFFAOYSA-N 0 3 387.440 0.832 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000658930541 1187795652 /nfs/dbraw/zinc/79/56/52/1187795652.db2.gz HJPCCNQSUCXYPK-SJORKVTESA-N 0 3 376.501 0.544 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC(CC(=O)NC4CCCC4)CC3)C[C@@H]21 ZINC000658937897 1187799395 /nfs/dbraw/zinc/79/93/95/1187799395.db2.gz PJJNZVZNOVFWTF-AEFFLSMTSA-N 0 3 390.528 0.836 20 0 GCADHN COCCOC[C@@H](C)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000892594413 1187805303 /nfs/dbraw/zinc/80/53/03/1187805303.db2.gz KSWXSPRFOJGAPC-MRXNPFEDSA-N 0 3 386.518 0.175 20 0 GCADHN O=C(CN1CC[C@@H](CN2CCOCC2)C1)NC[C@H]1COc2ccccc2O1 ZINC000332886524 1187805874 /nfs/dbraw/zinc/80/58/74/1187805874.db2.gz KOYJLAPVBNYPQM-IRXDYDNUSA-N 0 3 375.469 0.597 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)n1 ZINC000376391531 1187809000 /nfs/dbraw/zinc/80/90/00/1187809000.db2.gz LRBPPCBUDQBPBP-QXSJWSMHSA-N 0 3 378.521 0.706 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000332922082 1187819842 /nfs/dbraw/zinc/81/98/42/1187819842.db2.gz DFEAVBURHOLCOH-ZWKOTPCHSA-N 0 3 395.548 0.293 20 0 GCADHN C[C@H](O)CN1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)[C@H](C)C1 ZINC000249202493 1187821896 /nfs/dbraw/zinc/82/18/96/1187821896.db2.gz AIRIUIOFOOQMIK-MSOLQXFVSA-N 0 3 375.517 0.507 20 0 GCADHN CCCN(CCN1CCCCC1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000376409791 1187822244 /nfs/dbraw/zinc/82/22/44/1187822244.db2.gz UPJPKOOTUZHQJM-DLBZAZTESA-N 0 3 399.557 0.747 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](O)C2)cc1)[C@H]1CCCN(C)C1 ZINC000658983069 1187830308 /nfs/dbraw/zinc/83/03/08/1187830308.db2.gz KHQCZYXQVQRGDU-ULQDDVLXSA-N 0 3 388.468 0.431 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCO[C@@H](C4CC4)C3)CC2)C[C@@H](C)O1 ZINC000658987311 1187831408 /nfs/dbraw/zinc/83/14/08/1187831408.db2.gz VVQKXUFWQZJUHK-GPMSIDNRSA-N 0 3 393.528 0.972 20 0 GCADHN NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000658989801 1187831959 /nfs/dbraw/zinc/83/19/59/1187831959.db2.gz ZGDGHHCOQABTFI-HNNXBMFYSA-N 0 3 399.455 0.412 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000658994883 1187834167 /nfs/dbraw/zinc/83/41/67/1187834167.db2.gz UVDCZKRVSCEWGN-UHFFFAOYSA-N 0 3 380.430 0.724 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@]3(C2)c2ccccc2NC3=O)n1 ZINC000376434084 1187835168 /nfs/dbraw/zinc/83/51/68/1187835168.db2.gz GKTNKMALAXSLJM-LJQANCHMSA-N 0 3 383.456 0.040 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000658996283 1187835505 /nfs/dbraw/zinc/83/55/05/1187835505.db2.gz HVGAJFQFHNRXBV-UHFFFAOYSA-N 0 3 394.457 0.651 20 0 GCADHN CN(c1ccccc1NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)S(C)(=O)=O ZINC000659001522 1187838454 /nfs/dbraw/zinc/83/84/54/1187838454.db2.gz VXXOEYVIYRLVPA-UHFFFAOYSA-N 0 3 380.430 0.358 20 0 GCADHN CC(=O)N1CCN(c2cccc(NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)c2)CC1 ZINC000659010716 1187841242 /nfs/dbraw/zinc/84/12/42/1187841242.db2.gz XVUBGYPDBNSRMA-UHFFFAOYSA-N 0 3 399.455 0.631 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000103123223 1187844500 /nfs/dbraw/zinc/84/45/00/1187844500.db2.gz FIBJJLXQSDGYJD-LJQANCHMSA-N 0 3 398.507 0.802 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CCC(O)(CN3CCOCC3)CC2)n1 ZINC000376455529 1187849975 /nfs/dbraw/zinc/84/99/75/1187849975.db2.gz QRWULBMAFGDNHD-UHFFFAOYSA-N 0 3 393.536 0.599 20 0 GCADHN CCN1CCN(CCC(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000376461005 1187853453 /nfs/dbraw/zinc/85/34/53/1187853453.db2.gz KMCQPZAETWWXSX-ZWKOTPCHSA-N 0 3 396.532 0.910 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[C@@](O)(C2CC2)C1 ZINC000376468453 1187862491 /nfs/dbraw/zinc/86/24/91/1187862491.db2.gz KLJHBARWQAPOSH-JCGVRSQUSA-N 0 3 381.498 0.747 20 0 GCADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659079912 1187869416 /nfs/dbraw/zinc/86/94/16/1187869416.db2.gz OYRVDFQWTCOHKE-IAGOWNOFSA-N 0 3 388.468 0.803 20 0 GCADHN CC(C)Cc1ncc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cn1 ZINC000472602764 1187870934 /nfs/dbraw/zinc/87/09/34/1187870934.db2.gz VYSWCQULAPSDTF-OAHLLOKOSA-N 0 3 376.505 0.613 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)n1 ZINC000659111035 1187885310 /nfs/dbraw/zinc/88/53/10/1187885310.db2.gz XVDXCNAGDZPUQF-UHFFFAOYSA-N 0 3 386.412 0.612 20 0 GCADHN CC1(C)CCCc2sc(NC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)nc21 ZINC000659110333 1187887434 /nfs/dbraw/zinc/88/74/34/1187887434.db2.gz BUUYCRGICUVUQO-UHFFFAOYSA-N 0 3 390.469 0.966 20 0 GCADHN CC[C@]1(C)Oc2ccc(NC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)cc2O1 ZINC000659110374 1187887767 /nfs/dbraw/zinc/88/77/67/1187887767.db2.gz DPWFHAWWSHCXAC-GOSISDBHSA-N 0 3 387.396 0.793 20 0 GCADHN COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000642958153 1187896519 /nfs/dbraw/zinc/89/65/19/1187896519.db2.gz QGQNNEUATMNQJR-KWCYVHTRSA-N 0 3 377.441 0.864 20 0 GCADHN CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)n1 ZINC000659159729 1187904245 /nfs/dbraw/zinc/90/42/45/1187904245.db2.gz YYFXVOITIKORGB-GJZGRUSLSA-N 0 3 390.488 0.538 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2C2CCC2)CC1 ZINC000659168880 1187905954 /nfs/dbraw/zinc/90/59/54/1187905954.db2.gz IHQWKYXEKZKTRF-DLBZAZTESA-N 0 3 376.501 0.543 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)CC1 ZINC000613541672 1187913169 /nfs/dbraw/zinc/91/31/69/1187913169.db2.gz QVPGNZRZGYGFBX-KDURUIRLSA-N 0 3 399.539 0.287 20 0 GCADHN CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000549095915 1187918188 /nfs/dbraw/zinc/91/81/88/1187918188.db2.gz UMFJGXGBBRUNJV-UHFFFAOYSA-N 0 3 389.504 0.278 20 0 GCADHN Cn1c2sc(C(=O)N3CCC[C@@H](N4CCCC4)C3)cc2c(=O)n(C)c1=O ZINC000648287837 1187925219 /nfs/dbraw/zinc/92/52/19/1187925219.db2.gz BIRHUHIMDMBCGM-GFCCVEGCSA-N 0 3 376.482 0.999 20 0 GCADHN Cc1c(C(=O)N2CC(=O)N(C)C[C@H]2C)nnn1-c1cccc2c1CCN(C)C2 ZINC000782883547 1187928581 /nfs/dbraw/zinc/92/85/81/1187928581.db2.gz RNUKJIJRJDPMGM-CYBMUJFWSA-N 0 3 382.468 0.866 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(C)Cc2ccc(C)cn2)CC1 ZINC000659318583 1187943392 /nfs/dbraw/zinc/94/33/92/1187943392.db2.gz HWJMPKSOTGHEMR-UHFFFAOYSA-N 0 3 389.500 0.361 20 0 GCADHN CCOCC(=O)NNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000066700712 1187949473 /nfs/dbraw/zinc/94/94/73/1187949473.db2.gz QUXKBNBZIVJWSV-UHFFFAOYSA-N 0 3 377.489 0.956 20 0 GCADHN C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCc2sccc2C1 ZINC000659438491 1187958096 /nfs/dbraw/zinc/95/80/96/1187958096.db2.gz YVLIXGJDYSASLI-LLVKDONJSA-N 0 3 376.486 0.948 20 0 GCADHN COc1ccccc1N1CC[C@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659447001 1187959161 /nfs/dbraw/zinc/95/91/61/1187959161.db2.gz ATTVCQSFQHGXOQ-CYBMUJFWSA-N 0 3 386.456 0.975 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000659454116 1187960473 /nfs/dbraw/zinc/96/04/73/1187960473.db2.gz WLFNJFRTCJDMOL-GFCCVEGCSA-N 0 3 390.831 0.899 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCN2C(=O)COc3ccccc32)n1 ZINC000659460869 1187961879 /nfs/dbraw/zinc/96/18/79/1187961879.db2.gz VLZMGCVSSRKZGB-UHFFFAOYSA-N 0 3 386.412 0.256 20 0 GCADHN COc1cc(OC)cc(OCCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659466971 1187963009 /nfs/dbraw/zinc/96/30/09/1187963009.db2.gz JGHVZXCAFCRYTH-UHFFFAOYSA-N 0 3 391.428 0.926 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)n1 ZINC000659474231 1187963695 /nfs/dbraw/zinc/96/36/95/1187963695.db2.gz BSPXDAMWFRIGTM-ZDUSSCGKSA-N 0 3 388.403 0.775 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)n1 ZINC000659486359 1187964135 /nfs/dbraw/zinc/96/41/35/1187964135.db2.gz TZNCUEYJVCIWAE-AWEZNQCLSA-N 0 3 376.461 0.764 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)n1 ZINC000659486360 1187964296 /nfs/dbraw/zinc/96/42/96/1187964296.db2.gz TZNCUEYJVCIWAE-CQSZACIVSA-N 0 3 376.461 0.764 20 0 GCADHN C[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000659500225 1187966804 /nfs/dbraw/zinc/96/68/04/1187966804.db2.gz GQUTUKQCQBTTNH-NWDGAFQWSA-N 0 3 384.440 0.806 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000376603561 1187968827 /nfs/dbraw/zinc/96/88/27/1187968827.db2.gz CKRDYLYRKDEGAJ-MRXNPFEDSA-N 0 3 381.521 0.045 20 0 GCADHN CC(C)(C)N1C[C@@H](CNC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1=O ZINC000659608326 1187975814 /nfs/dbraw/zinc/97/58/14/1187975814.db2.gz MVPQFBONTDBPNB-UKRRQHHQSA-N 0 3 377.493 0.730 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)n1 ZINC000659607634 1187976082 /nfs/dbraw/zinc/97/60/82/1187976082.db2.gz CVXLITBGJXCLDT-ZIAGYGMSSA-N 0 3 376.461 0.084 20 0 GCADHN Cc1cnc(CNCC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)cn1 ZINC001104674572 1187976489 /nfs/dbraw/zinc/97/64/89/1187976489.db2.gz RCWDZBATXLGXFG-QIJZBDPFSA-N 0 3 375.473 0.392 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CCNCc1ccn(C)n1 ZINC001104675045 1187977199 /nfs/dbraw/zinc/97/71/99/1187977199.db2.gz OLEZWJZAZLDGMD-XYVMCAHJSA-N 0 3 391.516 0.630 20 0 GCADHN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)n2)c1 ZINC000659629561 1187977721 /nfs/dbraw/zinc/97/77/21/1187977721.db2.gz GVTSQSMVYINUFP-JTQLQIEISA-N 0 3 383.416 0.690 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000580223999 1187977971 /nfs/dbraw/zinc/97/79/71/1187977971.db2.gz XVXITYHYWXVRBO-UHFFFAOYSA-N 0 3 397.541 0.894 20 0 GCADHN CCc1nsc(N2CCCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)n1 ZINC000659631210 1187978378 /nfs/dbraw/zinc/97/83/78/1187978378.db2.gz BRVPYSNCXXBBGR-UHFFFAOYSA-N 0 3 392.489 0.477 20 0 GCADHN CN(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000659631483 1187978596 /nfs/dbraw/zinc/97/85/96/1187978596.db2.gz FQXQOXKRAHNHFK-OAHLLOKOSA-N 0 3 384.440 0.978 20 0 GCADHN CCOc1cccc(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)n1 ZINC000659631343 1187978672 /nfs/dbraw/zinc/97/86/72/1187978672.db2.gz CRIOCORPKPSDTR-UHFFFAOYSA-N 0 3 387.444 0.466 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CCNCC(=O)Nc1cccc(F)c1 ZINC001104691323 1187992027 /nfs/dbraw/zinc/99/20/27/1187992027.db2.gz YEXSAMYDHLLJKS-KFZJALRRSA-N 0 3 390.459 0.960 20 0 GCADHN CC(C)(C)c1nc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cs1 ZINC000659678266 1187992602 /nfs/dbraw/zinc/99/26/02/1187992602.db2.gz WRVQZUDKCCZGOZ-UHFFFAOYSA-N 0 3 392.485 0.370 20 0 GCADHN COC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000659684531 1187995572 /nfs/dbraw/zinc/99/55/72/1187995572.db2.gz GKIVLVAOUUXCCN-ZDUSSCGKSA-N 0 3 395.366 0.039 20 0 GCADHN COC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000659684943 1187996488 /nfs/dbraw/zinc/99/64/88/1187996488.db2.gz MSSXBWBPUMUFOX-CYBMUJFWSA-N 0 3 393.831 0.414 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccccc2OC(F)F)n1 ZINC000659685977 1187997080 /nfs/dbraw/zinc/99/70/80/1187997080.db2.gz WOKJNPIVALVIFR-UHFFFAOYSA-N 0 3 381.339 0.175 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000659686031 1187997110 /nfs/dbraw/zinc/99/71/10/1187997110.db2.gz BEKWSXGHLVGXDJ-VHSXEESVSA-N 0 3 389.378 0.742 20 0 GCADHN O=C(C(=O)N1CCN(CC2CCOCC2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000659688162 1187998300 /nfs/dbraw/zinc/99/83/00/1187998300.db2.gz GSZZLKBPYBPCTJ-GOSISDBHSA-N 0 3 376.501 0.030 20 0 GCADHN COc1ccc2[nH]cc(CCNC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)c2c1 ZINC000659690061 1187998812 /nfs/dbraw/zinc/99/88/12/1187998812.db2.gz NFGBGUZPBZCBMN-UHFFFAOYSA-N 0 3 398.423 0.106 20 0 GCADHN COc1ccc(OC)c([C@H](C)NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659682168 1187998855 /nfs/dbraw/zinc/99/88/55/1187998855.db2.gz UUKVXWPOIOLSBV-JTQLQIEISA-N 0 3 389.412 0.152 20 0 GCADHN CCCCCn1cc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(C)n1 ZINC000659693555 1188000968 /nfs/dbraw/zinc/00/09/68/1188000968.db2.gz IQRZKWMXCUIJBI-UHFFFAOYSA-N 0 3 389.460 0.269 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000659692961 1188000991 /nfs/dbraw/zinc/00/09/91/1188000991.db2.gz BVYFCENDJZPVLR-OCCSQVGLSA-N 0 3 387.415 0.849 20 0 GCADHN CC(C)(C)c1csc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)n1 ZINC000659705341 1188001712 /nfs/dbraw/zinc/00/17/12/1188001712.db2.gz YOPSMPXSIURMRN-UHFFFAOYSA-N 0 3 378.458 0.328 20 0 GCADHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000659705751 1188002206 /nfs/dbraw/zinc/00/22/06/1188002206.db2.gz NZSOPABFMRXTTE-VSZNYVQBSA-N 0 3 390.528 0.931 20 0 GCADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000659705752 1188002342 /nfs/dbraw/zinc/00/23/42/1188002342.db2.gz NZSOPABFMRXTTE-XDNAFOTISA-N 0 3 390.528 0.931 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCCc2c[nH]c3ccccc23)n1 ZINC000659706735 1188003208 /nfs/dbraw/zinc/00/32/08/1188003208.db2.gz BEGOEFSRURGYRX-UHFFFAOYSA-N 0 3 382.424 0.487 20 0 GCADHN CO[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000659701259 1188005281 /nfs/dbraw/zinc/00/52/81/1188005281.db2.gz ZUXOMBPDALLZOW-ZDUSSCGKSA-N 0 3 393.831 0.414 20 0 GCADHN C[C@@H](CNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)CN1CCN(C)CC1 ZINC000135242811 1188006624 /nfs/dbraw/zinc/00/66/24/1188006624.db2.gz DDRWOJWHKCSEFB-WMZOPIPTSA-N 0 3 379.549 0.960 20 0 GCADHN COC(=O)c1c(C)csc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000376655545 1188013986 /nfs/dbraw/zinc/01/39/86/1188013986.db2.gz HUSQPZJXYSJDNU-NEPJUHHUSA-N 0 3 381.454 0.761 20 0 GCADHN Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000376660733 1188015109 /nfs/dbraw/zinc/01/51/09/1188015109.db2.gz SVWFQQZHICXAGR-MNOVXSKESA-N 0 3 389.378 0.665 20 0 GCADHN COC(=O)COCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000376675696 1188016917 /nfs/dbraw/zinc/01/69/17/1188016917.db2.gz XRDAHYSAUBYZKJ-INIZCTEOSA-N 0 3 377.441 0.981 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCc2nc(C(N)=O)cs2)cc1 ZINC000659740029 1188018636 /nfs/dbraw/zinc/01/86/36/1188018636.db2.gz CSYKWDRHGIJEBA-ZDUSSCGKSA-N 0 3 389.481 0.798 20 0 GCADHN O=C(COc1ccccc1NC(=O)C(=O)N1CCCNCC1)Nc1cccnc1 ZINC000415306192 1188027356 /nfs/dbraw/zinc/02/73/56/1188027356.db2.gz IAMLZHRGOYSYSC-UHFFFAOYSA-N 0 3 397.435 0.860 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCNCC2)cc1 ZINC000415305450 1188027541 /nfs/dbraw/zinc/02/75/41/1188027541.db2.gz GUWGEGXLRGRORZ-UHFFFAOYSA-N 0 3 382.486 0.478 20 0 GCADHN CCCC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000152946439 1188028732 /nfs/dbraw/zinc/02/87/32/1188028732.db2.gz FCJLUZUEZPEYAE-IRXDYDNUSA-N 0 3 378.517 0.790 20 0 GCADHN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCCNCC1 ZINC000415309081 1188029812 /nfs/dbraw/zinc/02/98/12/1188029812.db2.gz MGUYOKNYTVDZPK-UHFFFAOYSA-N 0 3 380.470 0.232 20 0 GCADHN O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)N1CCCNCC1 ZINC000415316421 1188030976 /nfs/dbraw/zinc/03/09/76/1188030976.db2.gz JMAFWZBGDGGTEP-UHFFFAOYSA-N 0 3 384.433 0.027 20 0 GCADHN CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)N2CCCNCC2)ccn1 ZINC000415318527 1188032250 /nfs/dbraw/zinc/03/22/50/1188032250.db2.gz MSPFPFVJEMGIMA-UHFFFAOYSA-N 0 3 397.435 0.994 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000377479936 1188032264 /nfs/dbraw/zinc/03/22/64/1188032264.db2.gz ZHAYGYQKOORLTF-QGZVFWFLSA-N 0 3 379.482 0.816 20 0 GCADHN Cc1c(NC(=O)C(=O)N2CCCNCC2)cccc1C(=O)N1CCSCC1 ZINC000415325695 1188033554 /nfs/dbraw/zinc/03/35/54/1188033554.db2.gz VTMMKMRHBQZRII-UHFFFAOYSA-N 0 3 390.509 0.944 20 0 GCADHN CN(C)Cc1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1 ZINC001025761603 1188044587 /nfs/dbraw/zinc/04/45/87/1188044587.db2.gz OUSPFFUFYINKOI-NNIGNNQHSA-N 0 3 387.480 0.617 20 0 GCADHN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909322936 1188052849 /nfs/dbraw/zinc/05/28/49/1188052849.db2.gz FVOGBPPUSZJQNH-SJORKVTESA-N 0 3 380.533 0.989 20 0 GCADHN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)NC[C@@H]1CNCCO1 ZINC000415337339 1188054226 /nfs/dbraw/zinc/05/42/26/1188054226.db2.gz UGPVUAKPYUKXRL-JTQLQIEISA-N 0 3 384.458 0.703 20 0 GCADHN CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cc2S1(=O)=O ZINC000377511655 1188059596 /nfs/dbraw/zinc/05/95/96/1188059596.db2.gz KLHKANSWVKPTSQ-ZIAGYGMSSA-N 0 3 393.465 0.444 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)cc1OC ZINC000415384789 1188067898 /nfs/dbraw/zinc/06/78/98/1188067898.db2.gz ZBXGBSVHRKMEBT-ZDUSSCGKSA-N 0 3 398.485 0.606 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)C1 ZINC000549266936 1188069443 /nfs/dbraw/zinc/06/94/43/1188069443.db2.gz IWLIZVBBUKVNIG-CVEARBPZSA-N 0 3 398.529 0.763 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000415390096 1188069618 /nfs/dbraw/zinc/06/96/18/1188069618.db2.gz GPBMBZZMUVLPTI-HNNXBMFYSA-N 0 3 394.453 0.868 20 0 GCADHN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000377552958 1188071721 /nfs/dbraw/zinc/07/17/21/1188071721.db2.gz LGCBSYNWAFZOPO-DYVFJYSZSA-N 0 3 387.484 0.527 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CCN1 ZINC000415409066 1188072731 /nfs/dbraw/zinc/07/27/31/1188072731.db2.gz DAYZOUFJPODCNW-MRXNPFEDSA-N 0 3 389.500 0.072 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CCN1 ZINC000415409065 1188072995 /nfs/dbraw/zinc/07/29/95/1188072995.db2.gz DAYZOUFJPODCNW-INIZCTEOSA-N 0 3 389.500 0.072 20 0 GCADHN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN[C@@H](C)C2)c1 ZINC000415437350 1188080307 /nfs/dbraw/zinc/08/03/07/1188080307.db2.gz PFHFWDWFWGEFSJ-AWEZNQCLSA-N 0 3 375.473 0.726 20 0 GCADHN CCN1CCN(c2cc(C(N)=O)nc(N3CCN(CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000892971333 1188080521 /nfs/dbraw/zinc/08/05/21/1188080521.db2.gz QJKMSIKBOBRXMV-GJZGRUSLSA-N 0 3 375.521 0.636 20 0 GCADHN CCS(=O)(=O)NCCN(C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001267665284 1188085379 /nfs/dbraw/zinc/08/53/79/1188085379.db2.gz FULUFKQDUKXAAE-NEXGVSGLSA-N 0 3 385.530 0.129 20 0 GCADHN CN(C)c1noc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000460639744 1188110716 /nfs/dbraw/zinc/11/07/16/1188110716.db2.gz OJKWTWPSFNFIDM-JKSUJKDBSA-N 0 3 388.472 0.818 20 0 GCADHN CCNC(=O)CN1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000377725594 1188118145 /nfs/dbraw/zinc/11/81/45/1188118145.db2.gz WEICQEOPSSQEDL-UHFFFAOYSA-N 0 3 380.533 0.692 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000377769206 1188133345 /nfs/dbraw/zinc/13/33/45/1188133345.db2.gz AWRUSBWLVKMLPB-CVEARBPZSA-N 0 3 381.498 0.561 20 0 GCADHN C[C@@H]1CN(c2cc(C(N)=O)nc(N3C[C@H](C)N(C)C[C@@H]3C)n2)[C@H](C)CN1C ZINC000893077649 1188137889 /nfs/dbraw/zinc/13/78/89/1188137889.db2.gz BNDXWAVQYVAKMK-BARDWOONSA-N 0 3 375.521 0.633 20 0 GCADHN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377789658 1188137991 /nfs/dbraw/zinc/13/79/91/1188137991.db2.gz ZKCJYIPEFQCIEN-HUUCEWRRSA-N 0 3 377.489 0.927 20 0 GCADHN O=C(NC[C@H]1NCCc2ccccc21)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000415706802 1188145131 /nfs/dbraw/zinc/14/51/31/1188145131.db2.gz IZZGWGMWJJTSDQ-MJGOQNOKSA-N 0 3 394.431 0.853 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@H]2NCCc3ccccc32)cc1-n1cnnn1 ZINC000415703459 1188146691 /nfs/dbraw/zinc/14/66/91/1188146691.db2.gz FFWHJWWGYUWCEE-QGZVFWFLSA-N 0 3 391.435 0.912 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCc2nc(-c3cccc(F)c3)no2)CC1=O ZINC000278820236 1188147121 /nfs/dbraw/zinc/14/71/21/1188147121.db2.gz BTNXASRDFVGKMD-ZDUSSCGKSA-N 0 3 375.404 0.902 20 0 GCADHN COC(=O)c1cn([C@H]2CCN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)C2)nn1 ZINC000472899073 1189365277 /nfs/dbraw/zinc/36/52/77/1189365277.db2.gz OJBYNEHDLVFQKB-GJZGRUSLSA-N 0 3 393.492 0.047 20 0 GCADHN C[C@@H](CNC(=O)N1CCNC(=O)[C@H]1c1cccs1)CN1CCN(C)CC1 ZINC000377917518 1189370458 /nfs/dbraw/zinc/37/04/58/1189370458.db2.gz QHVNNGLVGQJKTR-GOEBONIOSA-N 0 3 379.530 0.814 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000472907326 1189373298 /nfs/dbraw/zinc/37/32/98/1189373298.db2.gz RGHFFMSQXNKUTQ-AWEZNQCLSA-N 0 3 383.518 0.159 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCNC(C)(C)C3)CC2)cn1C ZINC000377940407 1189379866 /nfs/dbraw/zinc/37/98/66/1189379866.db2.gz GFLZLZFNXBBEGA-UHFFFAOYSA-N 0 3 383.518 0.340 20 0 GCADHN Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415859380 1189384742 /nfs/dbraw/zinc/38/47/42/1189384742.db2.gz GFSSCRYQVJQRDC-ZDUSSCGKSA-N 0 3 387.465 0.979 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)c(OC[C@H]2CCCO2)c1 ZINC000415858326 1189386724 /nfs/dbraw/zinc/38/67/24/1189386724.db2.gz DQGGIYSACUFZPT-CABCVRRESA-N 0 3 377.441 0.596 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)c(OC[C@@H]2CCCO2)c1 ZINC000415858327 1189386920 /nfs/dbraw/zinc/38/69/20/1189386920.db2.gz DQGGIYSACUFZPT-GJZGRUSLSA-N 0 3 377.441 0.596 20 0 GCADHN CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415867497 1189389503 /nfs/dbraw/zinc/38/95/03/1189389503.db2.gz PLGKXEVSACZEDB-ZDUSSCGKSA-N 0 3 385.848 0.798 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000472915742 1189390282 /nfs/dbraw/zinc/39/02/82/1189390282.db2.gz UBXYNMYOEJVNJE-MRXNPFEDSA-N 0 3 397.545 0.290 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N(C)CC(=O)NCc1ccccc1 ZINC000472916894 1189391496 /nfs/dbraw/zinc/39/14/96/1189391496.db2.gz UQMJAWKAANOSAK-QGZVFWFLSA-N 0 3 375.517 0.970 20 0 GCADHN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)C(=O)N1CCOC2(CNC2)C1 ZINC000415876269 1189392261 /nfs/dbraw/zinc/39/22/61/1189392261.db2.gz CHZFMJAAPDHUPZ-HNNXBMFYSA-N 0 3 383.452 0.940 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000415872818 1189393983 /nfs/dbraw/zinc/39/39/83/1189393983.db2.gz XPCYXEVHDIYAMO-LBPRGKRZSA-N 0 3 395.822 0.767 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000472927339 1189403260 /nfs/dbraw/zinc/40/32/60/1189403260.db2.gz XHCTUWAFHFZOKU-IAGOWNOFSA-N 0 3 394.564 0.007 20 0 GCADHN CC(C)O[C@@]1(CS(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)CCOC1 ZINC000659900424 1189436843 /nfs/dbraw/zinc/43/68/43/1189436843.db2.gz IPBGMFZJDTVMMS-RDJZCZTQSA-N 0 3 391.534 0.077 20 0 GCADHN Cc1ccc(-c2nnn(CC(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)n2)cc1 ZINC000106765507 1189440374 /nfs/dbraw/zinc/44/03/74/1189440374.db2.gz FUDSYJOIUPFSNK-KRWDZBQOSA-N 0 3 397.483 0.589 20 0 GCADHN NC1(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)Cc2ccccc2C1 ZINC000378207939 1189443689 /nfs/dbraw/zinc/44/36/89/1189443689.db2.gz UFJDKWRMLAWEDS-UHFFFAOYSA-N 0 3 392.503 0.943 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@@H]2CCCC[C@@H]21 ZINC000659908520 1189444545 /nfs/dbraw/zinc/44/45/45/1189444545.db2.gz IZYMSBSKEAQGIT-TVFCKZIOSA-N 0 3 390.528 0.789 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)NCCNS(=O)(=O)c1cccnc1 ZINC000378219476 1189444693 /nfs/dbraw/zinc/44/46/93/1189444693.db2.gz REQZUAVOIZHVGI-UHFFFAOYSA-N 0 3 396.513 0.511 20 0 GCADHN CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000378221522 1189447629 /nfs/dbraw/zinc/44/76/29/1189447629.db2.gz GLZXOWGZZOQPRE-QGZVFWFLSA-N 0 3 393.509 0.909 20 0 GCADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N(C)CCN(C)C ZINC000416170477 1189448109 /nfs/dbraw/zinc/44/81/09/1189448109.db2.gz KNTVIJOPJASPLC-YVECIDJPSA-N 0 3 375.391 0.992 20 0 GCADHN CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000378235440 1189449750 /nfs/dbraw/zinc/44/97/50/1189449750.db2.gz QZDVHYPSXLPYOI-AWEZNQCLSA-N 0 3 399.517 0.375 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)N1CCCC1 ZINC000041597663 1189452101 /nfs/dbraw/zinc/45/21/01/1189452101.db2.gz AJCDYCFGJQKCNZ-HNNXBMFYSA-N 0 3 388.468 0.698 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000041640625 1189455482 /nfs/dbraw/zinc/45/54/82/1189455482.db2.gz BTHCUGCCZCCQHS-AWEZNQCLSA-N 0 3 378.473 0.785 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000041641120 1189455527 /nfs/dbraw/zinc/45/55/27/1189455527.db2.gz PZPZORDYGKKTMW-HNNXBMFYSA-N 0 3 390.484 0.929 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000041640764 1189455590 /nfs/dbraw/zinc/45/55/90/1189455590.db2.gz PXFVJWILMWJAFK-OAHLLOKOSA-N 0 3 385.472 0.348 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000041719394 1189457755 /nfs/dbraw/zinc/45/77/55/1189457755.db2.gz ROMDZAYAWSRQLI-UHFFFAOYSA-N 0 3 387.484 0.288 20 0 GCADHN COC(=O)C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(OC)c(OC)c1 ZINC000378318747 1189473621 /nfs/dbraw/zinc/47/36/21/1189473621.db2.gz ZDJMANFICVGQMP-CVEARBPZSA-N 0 3 391.468 0.814 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(CN2CCOCC2)o1 ZINC000893224728 1189497809 /nfs/dbraw/zinc/49/78/09/1189497809.db2.gz BEOVHEXPCYISDZ-LJQANCHMSA-N 0 3 381.473 0.531 20 0 GCADHN CCOC(=O)N1C[C@H](NC(=O)NC[C@@H](C)CN2CCN(CC)CC2)[C@@H](CO)C1 ZINC000893238313 1189510115 /nfs/dbraw/zinc/51/01/15/1189510115.db2.gz RGFCFPSCWGDLJI-ZACQAIPSSA-N 0 3 399.536 0.008 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@@H]1NCCc2ccccc21 ZINC000582051973 1189543136 /nfs/dbraw/zinc/54/31/36/1189543136.db2.gz YSGWJJWYWISNJG-INIZCTEOSA-N 0 3 398.554 0.551 20 0 GCADHN CCN1CCN(CCC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)CC1 ZINC000473004038 1189555897 /nfs/dbraw/zinc/55/58/97/1189555897.db2.gz UWEYHNUQIDXYLN-HKUYNNGSSA-N 0 3 394.539 0.819 20 0 GCADHN CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000974125212 1189556995 /nfs/dbraw/zinc/55/69/95/1189556995.db2.gz DUUDGXBDWNTGIZ-MCEUPANISA-N 0 3 379.501 0.674 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000416683556 1189571578 /nfs/dbraw/zinc/57/15/78/1189571578.db2.gz KQDVWVAKEDBBIX-UONOGXRCSA-N 0 3 375.464 0.568 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)CNC(=O)NCc3ccco3)C2)CC1 ZINC000363916238 1189572695 /nfs/dbraw/zinc/57/26/95/1189572695.db2.gz ACHJGWNWSDWZTH-INIZCTEOSA-N 0 3 377.489 0.706 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CNC(=O)COc3ccccc3)C2)CC1 ZINC000363916860 1189574328 /nfs/dbraw/zinc/57/43/28/1189574328.db2.gz CILZBPHIGWLXBQ-GOSISDBHSA-N 0 3 388.512 0.809 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC000363933738 1189579465 /nfs/dbraw/zinc/57/94/65/1189579465.db2.gz IQWODJUJUWSGKU-MRXNPFEDSA-N 0 3 380.514 0.575 20 0 GCADHN C[C@H]1OCC[C@]12CN(CCC(=O)N1CCN(c3ncccn3)CC1)C[C@@H](C)O2 ZINC000363941417 1189581614 /nfs/dbraw/zinc/58/16/14/1189581614.db2.gz WUAWZZYWWYHFLO-HLIPFELVSA-N 0 3 389.500 0.784 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)C2=O)n1 ZINC000893275234 1189583904 /nfs/dbraw/zinc/58/39/04/1189583904.db2.gz MAICFZRRVGXTBG-HRCADAONSA-N 0 3 390.488 0.156 20 0 GCADHN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000660093025 1189584299 /nfs/dbraw/zinc/58/42/99/1189584299.db2.gz VHAJWZNCPLJVHD-ZWKOTPCHSA-N 0 3 387.546 0.638 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000363942287 1189584958 /nfs/dbraw/zinc/58/49/58/1189584958.db2.gz UQAVEJXAVVQLGW-INIZCTEOSA-N 0 3 391.516 0.478 20 0 GCADHN CCN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H]1CCN(CCOCCNC(C)=O)C1 ZINC001267787890 1189587047 /nfs/dbraw/zinc/58/70/47/1189587047.db2.gz MCWDXNLMWBDKRO-CADBVGFASA-N 0 3 381.517 0.877 20 0 GCADHN CC(C)(C)OC(=O)Cn1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)nn1 ZINC000601319574 1189588640 /nfs/dbraw/zinc/58/86/40/1189588640.db2.gz PJUVHCUEYQARDD-AWEZNQCLSA-N 0 3 379.461 0.603 20 0 GCADHN COCCN(C)CCNC(=O)[C@@H](N)c1ccccc1I ZINC001353527075 1189591676 /nfs/dbraw/zinc/59/16/76/1189591676.db2.gz RZSWFBANAFMITG-ZDUSSCGKSA-N 0 3 391.253 0.985 20 0 GCADHN CC(C)C[C@H](CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)N1CCOCC1 ZINC000416934038 1189594354 /nfs/dbraw/zinc/59/43/54/1189594354.db2.gz CLCDLFNJVIDRRI-ZWKOTPCHSA-N 0 3 393.536 0.830 20 0 GCADHN CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000660121398 1189596501 /nfs/dbraw/zinc/59/65/01/1189596501.db2.gz VPUGCVHTWGHWAM-DLBZAZTESA-N 0 3 378.517 0.790 20 0 GCADHN CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000660121410 1189596546 /nfs/dbraw/zinc/59/65/46/1189596546.db2.gz WAHZCVLEYGWWGQ-KRWDZBQOSA-N 0 3 378.517 0.792 20 0 GCADHN CCO[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@]12CCCO2 ZINC000363977782 1189600002 /nfs/dbraw/zinc/60/00/02/1189600002.db2.gz VEFGJTRGSNHMDS-HLIPFELVSA-N 0 3 394.516 0.663 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@]12CCCO2 ZINC000363977787 1189600233 /nfs/dbraw/zinc/60/02/33/1189600233.db2.gz VEFGJTRGSNHMDS-QKLQHJQFSA-N 0 3 394.516 0.663 20 0 GCADHN COC(=O)c1cn([C@@H]2CCCN(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)C2)nn1 ZINC000364014788 1189615090 /nfs/dbraw/zinc/61/50/90/1189615090.db2.gz POPGNQGNBQMOMA-BPLDGKMQSA-N 0 3 376.461 0.894 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C[C@H]1CO ZINC000584642290 1189615582 /nfs/dbraw/zinc/61/55/82/1189615582.db2.gz YVGGRFUZCZIHKW-CVEARBPZSA-N 0 3 383.558 0.941 20 0 GCADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000584663410 1189617331 /nfs/dbraw/zinc/61/73/31/1189617331.db2.gz BAPCRJSIESPYSU-CHWSQXEVSA-N 0 3 384.502 0.657 20 0 GCADHN CCN1CCN(CCC(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000364029065 1189622142 /nfs/dbraw/zinc/62/21/42/1189622142.db2.gz LPTNDLGPIKJDGA-HNNXBMFYSA-N 0 3 378.477 0.256 20 0 GCADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CN2CCN1CCC2 ZINC000364046636 1189629535 /nfs/dbraw/zinc/62/95/35/1189629535.db2.gz FCIGMHZJMCVYOB-KRWDZBQOSA-N 0 3 378.498 0.233 20 0 GCADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1C[C@H](O)C[C@@H]1CO ZINC000364048102 1189630354 /nfs/dbraw/zinc/63/03/54/1189630354.db2.gz NPEBYEIQJZNIME-WOJBJXKFSA-N 0 3 390.528 0.722 20 0 GCADHN Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000580331694 1189631106 /nfs/dbraw/zinc/63/11/06/1189631106.db2.gz FOBMSQUTNZPCOK-IRXDYDNUSA-N 0 3 382.468 0.943 20 0 GCADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N1C[C@H](O)C[C@@H]1CO ZINC000364048611 1189631147 /nfs/dbraw/zinc/63/11/47/1189631147.db2.gz QOSLLXDRGBMCMI-RTBURBONSA-N 0 3 376.501 0.726 20 0 GCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@H]1CN3CCC[C@H]3CO1)C2=O ZINC000364057549 1189635149 /nfs/dbraw/zinc/63/51/49/1189635149.db2.gz HDUMWTOTADKDEN-QZNHQWIBSA-N 0 3 378.473 0.467 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NCCN1CCSCC1)Cc1ccccc1 ZINC000584727482 1189639442 /nfs/dbraw/zinc/63/94/42/1189639442.db2.gz DVTHYXAYTNOTLT-QGZVFWFLSA-N 0 3 378.542 0.441 20 0 GCADHN COCCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000364064747 1189639469 /nfs/dbraw/zinc/63/94/69/1189639469.db2.gz UYDUEKOXVAXOLK-CVEARBPZSA-N 0 3 397.497 0.204 20 0 GCADHN CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)NC[C@@H]1CNCCO1 ZINC000417304348 1189642202 /nfs/dbraw/zinc/64/22/02/1189642202.db2.gz YZIIDTLLYQBVTQ-AWEZNQCLSA-N 0 3 384.502 0.551 20 0 GCADHN CCCCOc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000584730961 1189642962 /nfs/dbraw/zinc/64/29/62/1189642962.db2.gz CKOYSKKKADUCPP-RDJZCZTQSA-N 0 3 388.468 0.252 20 0 GCADHN O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CN2CCN1CCC2 ZINC000364085760 1189648481 /nfs/dbraw/zinc/64/84/81/1189648481.db2.gz JOTFYJBZDSWSIC-KRWDZBQOSA-N 0 3 378.498 0.233 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[C@H](N3CCCC3)C1)CCC2 ZINC000584747241 1189650944 /nfs/dbraw/zinc/65/09/44/1189650944.db2.gz RNODLOQVFSYOIL-DLBZAZTESA-N 0 3 389.500 0.720 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@@H](C)O1 ZINC000364092715 1189653327 /nfs/dbraw/zinc/65/33/27/1189653327.db2.gz ZTHOCFFBGOWMRK-PJIJBLCYSA-N 0 3 380.489 0.713 20 0 GCADHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000364103756 1189657809 /nfs/dbraw/zinc/65/78/09/1189657809.db2.gz RPDPPYCVVIZLCI-DVAPBTGTSA-N 0 3 382.461 0.696 20 0 GCADHN C[C@@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000660232628 1189680192 /nfs/dbraw/zinc/68/01/92/1189680192.db2.gz XDURXEGXQVHICH-CZUORRHYSA-N 0 3 396.513 0.948 20 0 GCADHN Cc1c([C@H]2OCC[C@@H]2NCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cnn1C ZINC000431955807 1189686708 /nfs/dbraw/zinc/68/67/08/1189686708.db2.gz AMXFCWHQHRTPAO-IMFGXOCKSA-N 0 3 393.532 0.621 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N(C)C ZINC000584850338 1189691937 /nfs/dbraw/zinc/69/19/37/1189691937.db2.gz OVTBKZMXYBNNEJ-IMJJTQAJSA-N 0 3 375.473 0.251 20 0 GCADHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000417624973 1189692970 /nfs/dbraw/zinc/69/29/70/1189692970.db2.gz OZIYTAUWCKANLP-UONOGXRCSA-N 0 3 384.502 0.191 20 0 GCADHN O=C(CNC(=O)c1cn(Cc2cccs2)nn1)NCCN1CCCCC1 ZINC000909325137 1189696094 /nfs/dbraw/zinc/69/60/94/1189696094.db2.gz OXVFPHCSYUWNNE-UHFFFAOYSA-N 0 3 376.486 0.720 20 0 GCADHN CC1(C)CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000974363166 1189699029 /nfs/dbraw/zinc/69/90/29/1189699029.db2.gz JAXYQBGRRQTKSP-RNGZQALNSA-N 0 3 379.501 0.533 20 0 GCADHN COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000500011393 1189707507 /nfs/dbraw/zinc/70/75/07/1189707507.db2.gz UTSYLXZECFAHDM-UHFFFAOYSA-N 0 3 397.497 0.733 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000364236134 1189719696 /nfs/dbraw/zinc/71/96/96/1189719696.db2.gz GVXGYIKQZFPSKP-HNNXBMFYSA-N 0 3 377.441 0.241 20 0 GCADHN CCN(CCO)CCNC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000364248826 1189720783 /nfs/dbraw/zinc/72/07/83/1189720783.db2.gz IENRDNUKHUGNHG-UHFFFAOYSA-N 0 3 383.493 0.245 20 0 GCADHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000500248702 1189746263 /nfs/dbraw/zinc/74/62/63/1189746263.db2.gz RDELGSLSKJYEQQ-CABCVRRESA-N 0 3 392.504 0.769 20 0 GCADHN C(Nc1nc(NC[C@@H]2CCCOC2)nc(N2CCOCC2)n1)[C@H]1CCCOC1 ZINC000500264103 1189753689 /nfs/dbraw/zinc/75/36/89/1189753689.db2.gz YKYCNFZHKHBRJR-IYBDPMFKSA-N 0 3 392.504 0.229 20 0 GCADHN CS(=O)(=O)N1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000043238146 1189760012 /nfs/dbraw/zinc/76/00/12/1189760012.db2.gz UKFJTOQLOJKONP-QGZVFWFLSA-N 0 3 380.514 0.938 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000046862773 1189768941 /nfs/dbraw/zinc/76/89/41/1189768941.db2.gz RNVSXCKYHOVWDT-AWEZNQCLSA-N 0 3 384.502 0.497 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cc(S(=O)(=O)NC)ccc2C)CC1 ZINC000046946385 1189774279 /nfs/dbraw/zinc/77/42/79/1189774279.db2.gz AJLKBCHTGUFURZ-OAHLLOKOSA-N 0 3 382.530 0.659 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1=O ZINC000364379482 1189774856 /nfs/dbraw/zinc/77/48/56/1189774856.db2.gz XKDPUBABIPAZGB-GJZGRUSLSA-N 0 3 398.504 0.149 20 0 GCADHN COC(=O)c1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C ZINC000893354628 1189775145 /nfs/dbraw/zinc/77/51/45/1189775145.db2.gz OOFYHENZUAVVGB-KRWDZBQOSA-N 0 3 375.469 0.804 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001111521309 1189777178 /nfs/dbraw/zinc/77/71/78/1189777178.db2.gz TVPJRZOFWOMZMP-VQHPVUNQSA-N 0 3 378.517 0.868 20 0 GCADHN CCN(C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CC1 ZINC001267961685 1189778057 /nfs/dbraw/zinc/77/80/57/1189778057.db2.gz LCQOUNNOJQZXNW-LKCYJCQHSA-N 0 3 379.501 0.629 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000660407204 1189782695 /nfs/dbraw/zinc/78/26/95/1189782695.db2.gz IUCDJCSSORZRFV-KRWDZBQOSA-N 0 3 390.528 0.934 20 0 GCADHN C[C@H](C(=O)NCC(=O)NCCN1CCCCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000909325958 1189790505 /nfs/dbraw/zinc/79/05/05/1189790505.db2.gz AWLSVTIMVYBPQK-BZUAXINKSA-N 0 3 392.500 0.268 20 0 GCADHN COc1cc(C(=O)NCC(=O)NCCN2CCCCC2)cc2c1OCCO2 ZINC000909327013 1189794512 /nfs/dbraw/zinc/79/45/12/1189794512.db2.gz JNUUDOITITWEAU-UHFFFAOYSA-N 0 3 377.441 0.798 20 0 GCADHN O=C(CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1)NCCN1CCCCC1 ZINC000909327347 1189796167 /nfs/dbraw/zinc/79/61/67/1189796167.db2.gz VGURRLTUEDPNBO-LJQANCHMSA-N 0 3 388.512 0.606 20 0 GCADHN CN(CC(=O)NCC(=O)NCCN1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000909329739 1189801910 /nfs/dbraw/zinc/80/19/10/1189801910.db2.gz YPVQCHOBTHRJKZ-UHFFFAOYSA-N 0 3 396.513 0.025 20 0 GCADHN O=C(NCCCn1nc2n(c1=O)CCCC2)NC1CCN([C@H]2CCOC2)CC1 ZINC000660432702 1189805664 /nfs/dbraw/zinc/80/56/64/1189805664.db2.gz VVDJPPYOBNJULU-INIZCTEOSA-N 0 3 392.504 0.324 20 0 GCADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cn2ncn3nccc3c2=O)cc1 ZINC000500409090 1189816468 /nfs/dbraw/zinc/81/64/68/1189816468.db2.gz LGXIPHQDNJRDLQ-QGZVFWFLSA-N 0 3 396.451 0.853 20 0 GCADHN COCCOCCN(C)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000660470663 1189844452 /nfs/dbraw/zinc/84/44/52/1189844452.db2.gz VHAAOVMUBBHDEC-GOSISDBHSA-N 0 3 377.485 0.841 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000660470700 1189844653 /nfs/dbraw/zinc/84/46/53/1189844653.db2.gz XUQGSQIILULVJS-QRQLOZEOSA-N 0 3 389.496 0.982 20 0 GCADHN CCNS(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000106157153 1189857477 /nfs/dbraw/zinc/85/74/77/1189857477.db2.gz OTOVTDSXXKEOSR-UHFFFAOYSA-N 0 3 382.530 0.742 20 0 GCADHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)N1 ZINC000651547048 1189865758 /nfs/dbraw/zinc/86/57/58/1189865758.db2.gz RDYFUUMMPYPPIX-JKSUJKDBSA-N 0 3 389.481 0.960 20 0 GCADHN CN(CCN(CCN1CCCCC1)C(=O)C1(O)CCC1)C(=O)C1(O)CCC1 ZINC000652108220 1189880199 /nfs/dbraw/zinc/88/01/99/1189880199.db2.gz KWMVBDLGAZVNAY-UHFFFAOYSA-N 0 3 381.517 0.589 20 0 GCADHN CC(C)NS(=O)(=O)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000660581813 1189910342 /nfs/dbraw/zinc/91/03/42/1189910342.db2.gz KCHIVDOPKYACQX-UHFFFAOYSA-N 0 3 397.545 0.921 20 0 GCADHN O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893403755 1189917148 /nfs/dbraw/zinc/91/71/48/1189917148.db2.gz WBTUYXGGKCLHQE-IKGGRYGDSA-N 0 3 380.489 0.007 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000651605589 1189935654 /nfs/dbraw/zinc/93/56/54/1189935654.db2.gz MFBYALSUWWPWCM-UHFFFAOYSA-N 0 3 384.502 0.320 20 0 GCADHN COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000613758954 1189936367 /nfs/dbraw/zinc/93/63/67/1189936367.db2.gz HPYCDFAZRQRNAC-LBPRGKRZSA-N 0 3 379.461 0.190 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CN(C)C4CCC4)[C@H]3C2)O1 ZINC000975779333 1189974456 /nfs/dbraw/zinc/97/44/56/1189974456.db2.gz GHEJOBXKVYBMMI-KCITZHQASA-N 0 3 392.544 0.639 20 0 GCADHN Cc1ncc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@@H]32)[nH]1 ZINC000975780168 1189975459 /nfs/dbraw/zinc/97/54/59/1189975459.db2.gz SOZOPXSXDXFCPL-NQZOLGFYSA-N 0 3 375.473 0.500 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC12CCC2 ZINC000660993837 1189979713 /nfs/dbraw/zinc/97/97/13/1189979713.db2.gz KEPJNCWSVHCLKG-DLBZAZTESA-N 0 3 390.528 0.790 20 0 GCADHN O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000647706413 1189993885 /nfs/dbraw/zinc/99/38/85/1189993885.db2.gz IXGUHZDXJBBVBK-IAGOWNOFSA-N 0 3 379.482 0.508 20 0 GCADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)CC1 ZINC000893424792 1189995106 /nfs/dbraw/zinc/99/51/06/1189995106.db2.gz MJORPBINHDWBJI-OAQYLSRUSA-N 0 3 398.507 0.777 20 0 GCADHN CN1CCN(CCNC(=O)NCCN2C[C@H]3CCCCN3C2=O)CC1(C)C ZINC000661130457 1189995291 /nfs/dbraw/zinc/99/52/91/1189995291.db2.gz NJGHDVHDMKZONH-MRXNPFEDSA-N 0 3 380.537 0.602 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000662750362 1190016653 /nfs/dbraw/zinc/01/66/53/1190016653.db2.gz CHSIYIDYAUSLRS-OAHLLOKOSA-N 0 3 383.452 0.738 20 0 GCADHN COc1ccc([C@H]2[C@@H](C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CCC(=O)N2C)cc1 ZINC000662751434 1190017264 /nfs/dbraw/zinc/01/72/64/1190017264.db2.gz BNOWSLUFJIMKRY-KXBFYZLASA-N 0 3 399.451 0.875 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1C ZINC000662754418 1190017923 /nfs/dbraw/zinc/01/79/23/1190017923.db2.gz MRBCMTWKRCGAKT-UHFFFAOYSA-N 0 3 393.469 0.243 20 0 GCADHN CS(=O)(=O)N1CCCc2cc(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)ccc21 ZINC000662753715 1190019348 /nfs/dbraw/zinc/01/93/48/1190019348.db2.gz VTDUXZDEXYNFGQ-UHFFFAOYSA-N 0 3 391.453 0.283 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000661237378 1190020417 /nfs/dbraw/zinc/02/04/17/1190020417.db2.gz MPEWQPHJJVVNIQ-KURKYZTESA-N 0 3 378.517 0.252 20 0 GCADHN COc1ccc(C(=O)NCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1OC ZINC000647708098 1190025500 /nfs/dbraw/zinc/02/55/00/1190025500.db2.gz ISHHYFHLJPUTHS-GJZGRUSLSA-N 0 3 377.441 0.101 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000661355677 1190035497 /nfs/dbraw/zinc/03/54/97/1190035497.db2.gz UTLGKKTWEQAZRL-QGZVFWFLSA-N 0 3 395.529 0.627 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000118949361 1190047383 /nfs/dbraw/zinc/04/73/83/1190047383.db2.gz UWKBNTSVSYUJAF-UHFFFAOYSA-N 0 3 394.541 0.886 20 0 GCADHN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000647711800 1190056143 /nfs/dbraw/zinc/05/61/43/1190056143.db2.gz GUXKLIAWXFTLTQ-MSOLQXFVSA-N 0 3 389.496 0.877 20 0 GCADHN O=C(COc1ccccc1)N1CCC[C@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000647711802 1190056284 /nfs/dbraw/zinc/05/62/84/1190056284.db2.gz GUXKLIAWXFTLTQ-ROUUACIJSA-N 0 3 389.496 0.877 20 0 GCADHN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594874224 1190057076 /nfs/dbraw/zinc/05/70/76/1190057076.db2.gz NFZXLLAACORFQM-PMPSAXMXSA-N 0 3 376.432 0.351 20 0 GCADHN C[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@H]1CCO ZINC000661483577 1190057226 /nfs/dbraw/zinc/05/72/26/1190057226.db2.gz CGPDGXGVNLHQTL-SJORKVTESA-N 0 3 382.549 0.528 20 0 GCADHN CC1(C)CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCS1 ZINC000661481553 1190058331 /nfs/dbraw/zinc/05/83/31/1190058331.db2.gz ITPORWPZZGAEJS-UHFFFAOYSA-N 0 3 396.557 0.497 20 0 GCADHN C[C@H](NC(=O)NCCCCN1CCN(CCO)CC1)C(=O)Nc1ccccc1 ZINC000512629987 1193720359 /nfs/dbraw/zinc/72/03/59/1193720359.db2.gz LAFHLQUANSLMJI-KRWDZBQOSA-N 0 3 391.516 0.703 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000411046782 1193724667 /nfs/dbraw/zinc/72/46/67/1193724667.db2.gz UOSQMKLSXOHPPC-INIZCTEOSA-N 0 3 380.514 0.181 20 0 GCADHN CC(=O)Nc1cccc(CNC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000512641733 1193725749 /nfs/dbraw/zinc/72/57/49/1193725749.db2.gz JVNGRHGEQQBGCS-UHFFFAOYSA-N 0 3 391.516 0.834 20 0 GCADHN C[C@@H]1CN(CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)CO1 ZINC000663915686 1193725928 /nfs/dbraw/zinc/72/59/28/1193725928.db2.gz GWXHHYCMVQBNIW-GVDBMIGSSA-N 0 3 383.537 0.338 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000663917175 1193727056 /nfs/dbraw/zinc/72/70/56/1193727056.db2.gz UWLFWAGZNLKAFP-IRXDYDNUSA-N 0 3 393.532 0.583 20 0 GCADHN Cn1c2ccc(S(=O)(=O)N3CC[C@@H]4[C@@H](CCCN4C)C3)cc2n(C)c1=O ZINC000246977221 1193730641 /nfs/dbraw/zinc/73/06/41/1193730641.db2.gz JLBOGWRBKJABPD-DZGCQCFKSA-N 0 3 378.498 0.982 20 0 GCADHN Cc1c([C@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)cnn1-c1ccc(F)cc1 ZINC000419226845 1193734858 /nfs/dbraw/zinc/73/48/58/1193734858.db2.gz DYSGXXJPGJKSPA-BLLLJJGKSA-N 0 3 389.431 0.602 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccn3ccnc3c2)CC1 ZINC000411212588 1193736867 /nfs/dbraw/zinc/73/68/67/1193736867.db2.gz VLVWHPMAXVXSAB-UHFFFAOYSA-N 0 3 384.440 0.039 20 0 GCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000248005119 1193745292 /nfs/dbraw/zinc/74/52/92/1193745292.db2.gz BSYNRWVJNQCFFP-UHFFFAOYSA-N 0 3 382.530 0.661 20 0 GCADHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000248040577 1193745703 /nfs/dbraw/zinc/74/57/03/1193745703.db2.gz VLFYLNJAPVWUBN-UHFFFAOYSA-N 0 3 395.463 0.836 20 0 GCADHN CCOC(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000512750695 1193751062 /nfs/dbraw/zinc/75/10/62/1193751062.db2.gz SYFACUSQIAJILC-HNNXBMFYSA-N 0 3 390.484 0.944 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)Cc2cccc(C(=O)OC)c2)CC1 ZINC000469018977 1193770734 /nfs/dbraw/zinc/77/07/34/1193770734.db2.gz RUGZGAPAKPVMQP-HNNXBMFYSA-N 0 3 383.514 0.919 20 0 GCADHN CCOc1cc(CNC(=O)C(=O)NC[C@H]2CNCCO2)ccc1OC(F)F ZINC000419270067 1193778395 /nfs/dbraw/zinc/77/83/95/1193778395.db2.gz CPMBQPXPQRNQPC-GFCCVEGCSA-N 0 3 387.383 0.408 20 0 GCADHN CCCC(=O)N[C@H]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512810428 1193778648 /nfs/dbraw/zinc/77/86/48/1193778648.db2.gz ZOYIVUXCYKNZHL-SFHVURJKSA-N 0 3 397.564 0.467 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000473481010 1193781951 /nfs/dbraw/zinc/78/19/51/1193781951.db2.gz HLOGURHTRCRILS-INIZCTEOSA-N 0 3 399.499 0.407 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1 ZINC000419281967 1193784439 /nfs/dbraw/zinc/78/44/39/1193784439.db2.gz LLOLTDUMZQYGAU-ROUUACIJSA-N 0 3 380.448 0.720 20 0 GCADHN CNC(=O)c1cccc(NC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000512836124 1193786097 /nfs/dbraw/zinc/78/60/97/1193786097.db2.gz XUIOSKYAAJUDSU-UHFFFAOYSA-N 0 3 377.489 0.558 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN[C@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419283840 1193786525 /nfs/dbraw/zinc/78/65/25/1193786525.db2.gz NQZKZLIIECIHEM-CABCVRRESA-N 0 3 391.491 0.575 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419283853 1193786548 /nfs/dbraw/zinc/78/65/48/1193786548.db2.gz ZQFOBKKNLNSAMN-KZNAEPCWSA-N 0 3 382.464 0.987 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCN(Cc2ccco2)CC1 ZINC000512846234 1193788035 /nfs/dbraw/zinc/78/80/35/1193788035.db2.gz OWWBWTJJWQSKDJ-UHFFFAOYSA-N 0 3 393.532 0.497 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000509823589 1193790226 /nfs/dbraw/zinc/79/02/26/1193790226.db2.gz ZONJIDDVGXQYOU-ZFWWWQNUSA-N 0 3 397.497 0.644 20 0 GCADHN CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000250943509 1193790512 /nfs/dbraw/zinc/79/05/12/1193790512.db2.gz KOGBMUTXYCWTBL-IRXDYDNUSA-N 0 3 380.514 0.984 20 0 GCADHN COCCNc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419301383 1193795528 /nfs/dbraw/zinc/79/55/28/1193795528.db2.gz NSORCXCMGWAFGT-XJKSGUPXSA-N 0 3 378.473 0.590 20 0 GCADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411965484 1193797173 /nfs/dbraw/zinc/79/71/73/1193797173.db2.gz AAOUJSMJHROQDM-RTXFEEFZSA-N 0 3 386.374 0.964 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCNC[C@@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419305338 1193797376 /nfs/dbraw/zinc/79/73/76/1193797376.db2.gz WMLJEXLGIUDXLD-GJZGRUSLSA-N 0 3 391.491 0.575 20 0 GCADHN Cn1cncc1[C@@H]1C[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)CCO1 ZINC000333089294 1193806317 /nfs/dbraw/zinc/80/63/17/1193806317.db2.gz NTIZXGBHWZQXOJ-WBVHZDCISA-N 0 3 378.521 0.965 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000512945016 1193807261 /nfs/dbraw/zinc/80/72/61/1193807261.db2.gz LNYCILXNBWUVKY-UHFFFAOYSA-N 0 3 386.562 0.886 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000664070784 1193810470 /nfs/dbraw/zinc/81/04/70/1193810470.db2.gz GGKZHZDRMPHQSY-UHFFFAOYSA-N 0 3 395.479 0.607 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000664071090 1193815315 /nfs/dbraw/zinc/81/53/15/1193815315.db2.gz SPFZYNGHNSXGTH-OAHLLOKOSA-N 0 3 383.518 0.298 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1 ZINC000433363996 1193816277 /nfs/dbraw/zinc/81/62/77/1193816277.db2.gz IVRYXIMSXVPKGG-WMZOPIPTSA-N 0 3 378.498 0.878 20 0 GCADHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Cn1cnc2c1ncnc2N ZINC000433367144 1193816683 /nfs/dbraw/zinc/81/66/83/1193816683.db2.gz PWYXNIUFRUVJCC-YOEHRIQHSA-N 0 3 380.456 0.955 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc2nc(N(C)C)oc2c1 ZINC000513024190 1193827822 /nfs/dbraw/zinc/82/78/22/1193827822.db2.gz QCMNMKRNNRWOTL-UHFFFAOYSA-N 0 3 377.445 0.869 20 0 GCADHN COc1ccc2c(c1)[C@@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)CCO2 ZINC000419337853 1193832717 /nfs/dbraw/zinc/83/27/17/1193832717.db2.gz YLULPEADQFEQJV-TUKIKUTGSA-N 0 3 377.441 0.864 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000473491564 1193836590 /nfs/dbraw/zinc/83/65/90/1193836590.db2.gz QOOXTSPNARGXFP-CQSZACIVSA-N 0 3 386.456 0.817 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000473491562 1193836966 /nfs/dbraw/zinc/83/69/66/1193836966.db2.gz QOOXTSPNARGXFP-AWEZNQCLSA-N 0 3 386.456 0.817 20 0 GCADHN CC(C)Oc1ncccc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000473493712 1193838213 /nfs/dbraw/zinc/83/82/13/1193838213.db2.gz XTDMQBUMYXDQIO-OAHLLOKOSA-N 0 3 377.489 0.950 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCCNC(=O)c2cnccn2)cc1 ZINC000419350791 1193845564 /nfs/dbraw/zinc/84/55/64/1193845564.db2.gz GJNKSXRWIKUECH-MRXNPFEDSA-N 0 3 398.467 0.262 20 0 GCADHN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419350248 1193846961 /nfs/dbraw/zinc/84/69/61/1193846961.db2.gz WHMCWDWAIYYHNZ-MRXNPFEDSA-N 0 3 375.404 0.041 20 0 GCADHN CC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1nnc2n1CCCCC2 ZINC000419355585 1193853145 /nfs/dbraw/zinc/85/31/45/1193853145.db2.gz GHPACFDNNNNOKZ-MELADBBJSA-N 0 3 392.504 0.801 20 0 GCADHN Cc1c(Cl)cccc1NC(=O)CCNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419363830 1193865101 /nfs/dbraw/zinc/86/51/01/1193865101.db2.gz VUTXRUVJGUCRAS-LBPRGKRZSA-N 0 3 382.848 0.198 20 0 GCADHN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000419362417 1193865789 /nfs/dbraw/zinc/86/57/89/1193865789.db2.gz VBYDEXGYPMGTPS-IRXDYDNUSA-N 0 3 394.903 0.698 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000419363753 1193866326 /nfs/dbraw/zinc/86/63/26/1193866326.db2.gz VOQVFVPMEQVKNF-DGCLKSJQSA-N 0 3 380.514 0.910 20 0 GCADHN COc1cccc(OCCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419376121 1193878231 /nfs/dbraw/zinc/87/82/31/1193878231.db2.gz RPMXEEZNOQVFAS-CJNGLKHVSA-N 0 3 379.457 0.810 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(Cl)c2)CC1 ZINC000549909194 1193887468 /nfs/dbraw/zinc/88/74/68/1193887468.db2.gz SJPDNCDXDGYOHY-UHFFFAOYSA-N 0 3 394.903 0.969 20 0 GCADHN Cc1ccnc(-n2nccc2NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000429995236 1193892935 /nfs/dbraw/zinc/89/29/35/1193892935.db2.gz YDVZNFYBKQMSPU-MRXNPFEDSA-N 0 3 399.499 0.656 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N[C@@H](CN)CC(C)C)cc1 ZINC000419388098 1193898763 /nfs/dbraw/zinc/89/87/63/1193898763.db2.gz NUESHVWQDSKZOY-LSDHHAIUSA-N 0 3 383.514 0.763 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C[C@@H]1OC ZINC000419390515 1193900667 /nfs/dbraw/zinc/90/06/67/1193900667.db2.gz VERCIFVRSATSKC-XHSDSOJGSA-N 0 3 392.504 0.610 20 0 GCADHN COC(=O)[C@@H]1[C@@H](CNC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1(F)F ZINC000894202008 1193902042 /nfs/dbraw/zinc/90/20/42/1193902042.db2.gz BAIAXZZUMCAGPV-KFNAQCHYSA-N 0 3 384.379 0.955 20 0 GCADHN COCCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000419391348 1193906659 /nfs/dbraw/zinc/90/66/59/1193906659.db2.gz WGAWHSWUVDKOIM-UHFFFAOYSA-N 0 3 383.514 0.878 20 0 GCADHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000614441949 1193914125 /nfs/dbraw/zinc/91/41/25/1193914125.db2.gz FQIPSTDODAIDBO-CQSZACIVSA-N 0 3 380.493 0.097 20 0 GCADHN Cc1nn(CC(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)c(=O)n1C ZINC000614442888 1193914793 /nfs/dbraw/zinc/91/47/93/1193914793.db2.gz PINRCGZCFUTUTA-MRXNPFEDSA-N 0 3 381.521 0.610 20 0 GCADHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2nc3n(n2)CCCN3)CC1 ZINC000614444496 1193915543 /nfs/dbraw/zinc/91/55/43/1193915543.db2.gz ZLLFXELFPJRNQG-HNNXBMFYSA-N 0 3 378.521 0.685 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc2nc(N(C)C)oc2c1 ZINC000513199272 1193921931 /nfs/dbraw/zinc/92/19/31/1193921931.db2.gz NQJYVQLBXBRZCF-UHFFFAOYSA-N 0 3 377.445 0.917 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000261640646 1193922173 /nfs/dbraw/zinc/92/21/73/1193922173.db2.gz CDHPUXXRIQKAOD-IBGZPJMESA-N 0 3 382.512 0.954 20 0 GCADHN N[C@H](C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261847163 1193929073 /nfs/dbraw/zinc/92/90/73/1193929073.db2.gz RDXWOWDHIMXAIE-IBGZPJMESA-N 0 3 392.475 0.735 20 0 GCADHN N[C@H](C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261912175 1193931347 /nfs/dbraw/zinc/93/13/47/1193931347.db2.gz XRIAYGFQPVEYAF-KRWDZBQOSA-N 0 3 399.488 0.803 20 0 GCADHN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000261986201 1193934779 /nfs/dbraw/zinc/93/47/79/1193934779.db2.gz CLTHRUZTSSDUQR-KRWDZBQOSA-N 0 3 376.457 0.969 20 0 GCADHN N[C@H](C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1)C1CCOCC1 ZINC000262042309 1193937319 /nfs/dbraw/zinc/93/73/19/1193937319.db2.gz QHFKZYQOHWYTHL-IBGZPJMESA-N 0 3 375.469 0.757 20 0 GCADHN O=C(CCN1CCCN(S(=O)(=O)c2ccccc2)CC1)N1CCNCC1 ZINC000262131277 1193940187 /nfs/dbraw/zinc/94/01/87/1193940187.db2.gz NZNLWWBOZOQFLC-UHFFFAOYSA-N 0 3 380.514 0.205 20 0 GCADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C2=O)c1 ZINC000262144713 1193940632 /nfs/dbraw/zinc/94/06/32/1193940632.db2.gz OTZIOCLCYADATE-WBVHZDCISA-N 0 3 392.456 0.025 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000262202206 1193941784 /nfs/dbraw/zinc/94/17/84/1193941784.db2.gz SIMYJINFPBPDRV-SFHVURJKSA-N 0 3 378.448 0.139 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000262222730 1193942175 /nfs/dbraw/zinc/94/21/75/1193942175.db2.gz URYOXDKXDYTDFS-SFHVURJKSA-N 0 3 385.468 0.552 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000262211874 1193942354 /nfs/dbraw/zinc/94/23/54/1193942354.db2.gz TUMXZKZMUZSYJH-INIZCTEOSA-N 0 3 382.486 0.413 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000262252681 1193942943 /nfs/dbraw/zinc/94/29/43/1193942943.db2.gz WZCSFAWFOFQSPY-INIZCTEOSA-N 0 3 398.866 0.863 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCNC(=O)c1cccs1 ZINC000513439830 1193951833 /nfs/dbraw/zinc/95/18/33/1193951833.db2.gz PDEBWEMCHWQPOA-AWEZNQCLSA-N 0 3 380.514 0.927 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000513443536 1193952722 /nfs/dbraw/zinc/95/27/22/1193952722.db2.gz IKDUNGSTSWCQDZ-IAGOWNOFSA-N 0 3 378.517 0.694 20 0 GCADHN COC(=O)CCN1CC[C@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)C1=O ZINC000433882892 1193956383 /nfs/dbraw/zinc/95/63/83/1193956383.db2.gz MQLQZFIVRUCUMP-HNNXBMFYSA-N 0 3 383.470 0.191 20 0 GCADHN COc1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)c(C(=O)N(C)C)cc1OC ZINC000262944406 1193958776 /nfs/dbraw/zinc/95/87/76/1193958776.db2.gz APFNOQYETPDWLO-INIZCTEOSA-N 0 3 380.445 0.444 20 0 GCADHN O=C(CN1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1)N1CCCC1 ZINC000433944335 1193961895 /nfs/dbraw/zinc/96/18/95/1193961895.db2.gz YOCPJVZPWVNHIA-SFHVURJKSA-N 0 3 377.533 0.953 20 0 GCADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433950238 1193962370 /nfs/dbraw/zinc/96/23/70/1193962370.db2.gz WHGUJVUAOFMING-MRXNPFEDSA-N 0 3 377.489 0.136 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccnc1)NC[C@@H]1CCCCN1C1CC1 ZINC000433960492 1193963839 /nfs/dbraw/zinc/96/38/39/1193963839.db2.gz FBQUJIBDNYHGOZ-HNNXBMFYSA-N 0 3 381.502 0.676 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000549943199 1193971438 /nfs/dbraw/zinc/97/14/38/1193971438.db2.gz RLCMGGKSGOUJMK-KRWDZBQOSA-N 0 3 380.533 0.738 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2ccc3ccccc3c2=O)CC1 ZINC000280009293 1193972358 /nfs/dbraw/zinc/97/23/58/1193972358.db2.gz VZNXTMISBQHKEV-GOSISDBHSA-N 0 3 382.464 0.767 20 0 GCADHN CC(C)Oc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1C(N)=O ZINC000280217588 1193980259 /nfs/dbraw/zinc/98/02/59/1193980259.db2.gz YCULGWJVCZYUNB-CYBMUJFWSA-N 0 3 376.457 0.921 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 ZINC000280225358 1193980922 /nfs/dbraw/zinc/98/09/22/1193980922.db2.gz LQOQQUWCPFNKDK-UHFFFAOYSA-N 0 3 392.500 0.844 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cn(C)nc2C(C)C)CC1 ZINC000280223598 1193980931 /nfs/dbraw/zinc/98/09/31/1193980931.db2.gz BJHLHFXLKQZEJH-OAHLLOKOSA-N 0 3 378.521 0.872 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC(CC(N)=O)C3)c(C)c2)CC1 ZINC000280305433 1193986440 /nfs/dbraw/zinc/98/64/40/1193986440.db2.gz BFSCNLICVNFJFU-UHFFFAOYSA-N 0 3 387.484 0.409 20 0 GCADHN CN1CCN(Cc2cccc(NC(=O)C(=O)NCCN3CC=CCC3)c2)CC1 ZINC000280450442 1193996103 /nfs/dbraw/zinc/99/61/03/1193996103.db2.gz NCKYYXDSUIZKMR-UHFFFAOYSA-N 0 3 385.512 0.751 20 0 GCADHN CC(C)n1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n1 ZINC000280675513 1194012659 /nfs/dbraw/zinc/01/26/59/1194012659.db2.gz GGAFXHCKQHVQLN-QGZVFWFLSA-N 0 3 385.468 0.938 20 0 GCADHN C[C@H](O)C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1ccccc1 ZINC000419407325 1194021955 /nfs/dbraw/zinc/02/19/55/1194021955.db2.gz YEQPXPSPPPKJMT-ABFRBSLYSA-N 0 3 377.485 0.887 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCCNCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000419423773 1194024497 /nfs/dbraw/zinc/02/44/97/1194024497.db2.gz YZZLDLHJBIVNSW-RTBURBONSA-N 0 3 388.512 0.604 20 0 GCADHN CCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000419424695 1194025001 /nfs/dbraw/zinc/02/50/01/1194025001.db2.gz KNTGZDVKHLKVHU-ZFWWWQNUSA-N 0 3 379.457 0.766 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000419411969 1194030208 /nfs/dbraw/zinc/03/02/08/1194030208.db2.gz CKFARYBUIJTRRC-MFKMUULPSA-N 0 3 397.859 0.957 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)N(C)c1ccccc1 ZINC000419411929 1194030744 /nfs/dbraw/zinc/03/07/44/1194030744.db2.gz QDTRBLAMPZLGJP-YJBOKZPZSA-N 0 3 399.499 0.541 20 0 GCADHN NC[C@H](NC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)c1ccc2ccccc2c1 ZINC000419416257 1194032409 /nfs/dbraw/zinc/03/24/09/1194032409.db2.gz OMLDLAVBEKLEDQ-IXDOHACOSA-N 0 3 384.436 0.105 20 0 GCADHN NC(=O)C1(NC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000501029942 1194033064 /nfs/dbraw/zinc/03/30/64/1194033064.db2.gz UYWJLAJKZMOVDK-UHFFFAOYSA-N 0 3 376.482 0.351 20 0 GCADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000419438801 1194034649 /nfs/dbraw/zinc/03/46/49/1194034649.db2.gz IJIRKWRDIJTHTC-KBXIAJHMSA-N 0 3 382.505 0.415 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)CC1CCCCC1 ZINC000419449534 1194036826 /nfs/dbraw/zinc/03/68/26/1194036826.db2.gz YAZMDMHUFLZFQG-DZGCQCFKSA-N 0 3 382.505 0.418 20 0 GCADHN COC(=O)c1ccc(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)cc1OC ZINC000419473828 1194039288 /nfs/dbraw/zinc/03/92/88/1194039288.db2.gz KJJOKSMCSPLWFL-INIZCTEOSA-N 0 3 385.420 0.914 20 0 GCADHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000419501611 1194046226 /nfs/dbraw/zinc/04/62/26/1194046226.db2.gz REELRGPKUJNLLD-FGTMMUONSA-N 0 3 375.469 0.906 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000419540897 1194055420 /nfs/dbraw/zinc/05/54/20/1194055420.db2.gz HPLMXAOELGJKBU-BBRMVZONSA-N 0 3 390.484 0.276 20 0 GCADHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C12CCC2 ZINC000419538833 1194055497 /nfs/dbraw/zinc/05/54/97/1194055497.db2.gz FMHDHSAGMZTVQR-BZUAXINKSA-N 0 3 390.488 0.364 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000419550606 1194057963 /nfs/dbraw/zinc/05/79/63/1194057963.db2.gz WPPSGZHAEKODRX-SFHVURJKSA-N 0 3 380.448 0.504 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000419550508 1194058024 /nfs/dbraw/zinc/05/80/24/1194058024.db2.gz UUGAFYFALQRTCK-JSGCOSHPSA-N 0 3 394.859 0.056 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000419550504 1194058316 /nfs/dbraw/zinc/05/83/16/1194058316.db2.gz UUGAFYFALQRTCK-GXTWGEPZSA-N 0 3 394.859 0.056 20 0 GCADHN C[C@H](CO)N1CCCN(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC1 ZINC000501109421 1194058728 /nfs/dbraw/zinc/05/87/28/1194058728.db2.gz SWXYNENAHPGSRK-CQSZACIVSA-N 0 3 391.472 0.164 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)c1ccccc1 ZINC000419581198 1194060465 /nfs/dbraw/zinc/06/04/65/1194060465.db2.gz IZTMFZMMBNEGFX-KRWDZBQOSA-N 0 3 384.484 0.994 20 0 GCADHN CCc1noc(-c2ccc(CCNC(=O)C(=O)NC[C@@H]3CNCCO3)cc2)n1 ZINC000419585552 1194065732 /nfs/dbraw/zinc/06/57/32/1194065732.db2.gz KQAFSLPXYPTJNV-HNNXBMFYSA-N 0 3 387.440 0.062 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)CCC2 ZINC000419629668 1194072182 /nfs/dbraw/zinc/07/21/82/1194072182.db2.gz RQQBYWVZVZXSHR-YUELXQCFSA-N 0 3 393.488 0.252 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000419655412 1194074572 /nfs/dbraw/zinc/07/45/72/1194074572.db2.gz SVEYCGDOORYUAL-SRVKXCTJSA-N 0 3 380.411 0.216 20 0 GCADHN COCCCOc1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419634824 1194074769 /nfs/dbraw/zinc/07/47/69/1194074769.db2.gz INHAFSHWXRXTSN-PBHICJAKSA-N 0 3 393.484 0.947 20 0 GCADHN Cc1ccc2c(c1C)OC[C@H]2NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419646920 1194076289 /nfs/dbraw/zinc/07/62/89/1194076289.db2.gz JMYAWJWMNXHHKK-DOTOQJQBSA-N 0 3 398.467 0.767 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccccc1S(N)(=O)=O ZINC000513709224 1194077699 /nfs/dbraw/zinc/07/76/99/1194077699.db2.gz DFSZWNSHTMXCQE-AWEZNQCLSA-N 0 3 383.518 0.159 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1OC1CCCC1 ZINC000419667176 1194078601 /nfs/dbraw/zinc/07/86/01/1194078601.db2.gz XAJCTCAXRGQDDX-MRXNPFEDSA-N 0 3 391.468 0.737 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(CCOCc2ccccc2)CC1 ZINC000419679506 1194080487 /nfs/dbraw/zinc/08/04/87/1194080487.db2.gz PUZYHCGMDMBLNG-QGZVFWFLSA-N 0 3 375.469 0.594 20 0 GCADHN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419688136 1194084642 /nfs/dbraw/zinc/08/46/42/1194084642.db2.gz ZPHXPEQILPDZAE-MRXNPFEDSA-N 0 3 399.495 0.718 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccncc1OCC(F)F ZINC000419710326 1194085576 /nfs/dbraw/zinc/08/55/76/1194085576.db2.gz NYCRHNDBQUPVBU-CMPLNLGQSA-N 0 3 386.399 0.571 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCc3ccc(Cl)cc3)C2)nn1 ZINC000419729679 1194089221 /nfs/dbraw/zinc/08/92/21/1194089221.db2.gz IJUXQTUXVZJALK-HNNXBMFYSA-N 0 3 376.848 0.870 20 0 GCADHN C[C@@H]1CNCCN1C(=O)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000419718427 1194092038 /nfs/dbraw/zinc/09/20/38/1194092038.db2.gz DKRYAMCUAPVNGM-CYBMUJFWSA-N 0 3 380.439 0.866 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCCCN1CCOCC1)c1ccc2ccccc2c1 ZINC000419718257 1194092354 /nfs/dbraw/zinc/09/23/54/1194092354.db2.gz CXUZZZSUPSJQOX-IBGZPJMESA-N 0 3 384.480 0.794 20 0 GCADHN O=C(NCCOc1ccccc1C(F)(F)F)C(=O)NC[C@H]1CNCCO1 ZINC000419741244 1194094469 /nfs/dbraw/zinc/09/44/69/1194094469.db2.gz IFMOXXUKXAQGID-LLVKDONJSA-N 0 3 375.347 0.305 20 0 GCADHN CO[C@H]1C[C@@H](CN(C)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)N(C)C1 ZINC000501258156 1194096822 /nfs/dbraw/zinc/09/68/22/1194096822.db2.gz NIXCJWUKCNCCAM-ROUUACIJSA-N 0 3 395.548 0.291 20 0 GCADHN CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C(=O)N[C@H](CN)C2CC2)cc1 ZINC000419759658 1194098916 /nfs/dbraw/zinc/09/89/16/1194098916.db2.gz YCAXAXROGWGUIM-MRXNPFEDSA-N 0 3 395.525 0.728 20 0 GCADHN COc1cc(OC)c(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c(OC)c1 ZINC000419737780 1194099981 /nfs/dbraw/zinc/09/99/81/1194099981.db2.gz DEYJTDWRUSXSNT-FZMZJTMJSA-N 0 3 395.456 0.558 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCc3ccccc3Cl)C2)nn1 ZINC000419773676 1194102601 /nfs/dbraw/zinc/10/26/01/1194102601.db2.gz HLNDLOLYPKPPOI-AWEZNQCLSA-N 0 3 376.848 0.870 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000419773979 1194102631 /nfs/dbraw/zinc/10/26/31/1194102631.db2.gz JDHNJJZNSXSTIM-SQGPQFPESA-N 0 3 393.459 0.120 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000419796590 1194105592 /nfs/dbraw/zinc/10/55/92/1194105592.db2.gz QKRSZGZCHUIJSB-JSGCOSHPSA-N 0 3 379.457 0.592 20 0 GCADHN O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)C(=O)N1CCCNCC1 ZINC000419789747 1194108466 /nfs/dbraw/zinc/10/84/66/1194108466.db2.gz UFQZETBXWGDTSU-PXNSSMCTSA-N 0 3 377.460 0.838 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)N2CCCNCC2)C[C@@H](C)O1 ZINC000419826164 1194110957 /nfs/dbraw/zinc/11/09/57/1194110957.db2.gz QOSKWCCKCFVOFP-IAGOWNOFSA-N 0 3 388.512 0.734 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)N2CCN[C@@H](C)C2)C[C@H](C)O1 ZINC000419829269 1194115151 /nfs/dbraw/zinc/11/51/51/1194115151.db2.gz SRZXCPDWBFXDRN-YESZJQIVSA-N 0 3 388.512 0.732 20 0 GCADHN O=C(NCc1ccc(COc2ccccc2)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000419830419 1194116069 /nfs/dbraw/zinc/11/60/69/1194116069.db2.gz WBQGJSMITAVSRL-LJQANCHMSA-N 0 3 383.448 0.986 20 0 GCADHN C[NH2+]CCCNC(=O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000419843918 1194119935 /nfs/dbraw/zinc/11/99/35/1194119935.db2.gz KMBSJRSMJJDOOM-UHFFFAOYSA-N 0 3 396.875 0.948 20 0 GCADHN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419928155 1194140420 /nfs/dbraw/zinc/14/04/20/1194140420.db2.gz KMRULXSGNPMGSR-HOTGVXAUSA-N 0 3 396.513 0.123 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCCN(Cc2cscn2)CC1)c1ccccc1 ZINC000419929591 1194140530 /nfs/dbraw/zinc/14/05/30/1194140530.db2.gz MTDXIVCMDQCDTE-KRWDZBQOSA-N 0 3 387.509 0.994 20 0 GCADHN NC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)cc1 ZINC000419936160 1194145339 /nfs/dbraw/zinc/14/53/39/1194145339.db2.gz UAFIOQBPERIVRB-SFHVURJKSA-N 0 3 395.463 0.250 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@H](N)c2ccccc2)C[C@H](C)O1 ZINC000419935791 1194145358 /nfs/dbraw/zinc/14/53/58/1194145358.db2.gz SSIDTNZWRFSRDJ-NBMJBFSESA-N 0 3 388.512 0.903 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1ccccc1 ZINC000419934671 1194145517 /nfs/dbraw/zinc/14/55/17/1194145517.db2.gz RLRNJNXSVUCEPI-GOSISDBHSA-N 0 3 398.438 0.926 20 0 GCADHN C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000419944990 1194146725 /nfs/dbraw/zinc/14/67/25/1194146725.db2.gz BUJQOGCZEGMJMP-NSHDSACASA-N 0 3 396.875 0.934 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000420024489 1194158328 /nfs/dbraw/zinc/15/83/28/1194158328.db2.gz BECSVULAVKWDHM-IUODEOHRSA-N 0 3 396.438 0.843 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000420023281 1194158350 /nfs/dbraw/zinc/15/83/50/1194158350.db2.gz AMPCCELHPSAPCN-OCCSQVGLSA-N 0 3 379.436 0.099 20 0 GCADHN Cc1cccc(CN2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)c1 ZINC000420024002 1194158916 /nfs/dbraw/zinc/15/89/16/1194158916.db2.gz BARYMVNMNZLXJT-WMZOPIPTSA-N 0 3 388.512 0.868 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000420025928 1194158973 /nfs/dbraw/zinc/15/89/73/1194158973.db2.gz BURZNUDDBXCWRT-KGLIPLIRSA-N 0 3 376.457 0.270 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000420026684 1194159730 /nfs/dbraw/zinc/15/97/30/1194159730.db2.gz COPCKRIEJMMVPR-OCCSQVGLSA-N 0 3 381.502 0.017 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000420030326 1194160047 /nfs/dbraw/zinc/16/00/47/1194160047.db2.gz GIJRGUUQZVHCHU-USXIJHARSA-N 0 3 375.469 0.686 20 0 GCADHN CCCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420030394 1194160061 /nfs/dbraw/zinc/16/00/61/1194160061.db2.gz GOCTXNUDJKMNAO-HOCLYGCPSA-N 0 3 396.532 0.761 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000420031042 1194160210 /nfs/dbraw/zinc/16/02/10/1194160210.db2.gz GXCVUFUXTUWITI-CABCVRRESA-N 0 3 384.521 0.032 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000420030000 1194160279 /nfs/dbraw/zinc/16/02/79/1194160279.db2.gz GDVQXKVKJJZBGU-RISCZKNCSA-N 0 3 383.880 0.929 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000420031045 1194160315 /nfs/dbraw/zinc/16/03/15/1194160315.db2.gz GXCVUFUXTUWITI-LSDHHAIUSA-N 0 3 384.521 0.032 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000420029993 1194160345 /nfs/dbraw/zinc/16/03/45/1194160345.db2.gz GCLIUZNPKTUHOV-CJNGLKHVSA-N 0 3 398.467 0.558 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000420029537 1194160398 /nfs/dbraw/zinc/16/03/98/1194160398.db2.gz FLNKQINJVWRLTG-XJKSGUPXSA-N 0 3 376.457 0.270 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000420032341 1194161066 /nfs/dbraw/zinc/16/10/66/1194161066.db2.gz HWIHTEOVRLKCNR-KKUMJFAQSA-N 0 3 377.489 0.430 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000420033798 1194161146 /nfs/dbraw/zinc/16/11/46/1194161146.db2.gz IVUWHQJWEMNHPO-VXGBXAGGSA-N 0 3 380.411 0.312 20 0 GCADHN C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000420013857 1194161991 /nfs/dbraw/zinc/16/19/91/1194161991.db2.gz JTTJQHYZYOHHTA-JTQLQIEISA-N 0 3 382.848 0.686 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000420055795 1194163413 /nfs/dbraw/zinc/16/34/13/1194163413.db2.gz IBBALRPVSZIXLK-GOEBONIOSA-N 0 3 388.468 0.200 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000420056080 1194163417 /nfs/dbraw/zinc/16/34/17/1194163417.db2.gz IGFJOHSKMMOYAI-BPUTZDHNSA-N 0 3 388.468 0.305 20 0 GCADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000420059151 1194163580 /nfs/dbraw/zinc/16/35/80/1194163580.db2.gz OSTNVPPPYGYYBY-OALUTQOASA-N 0 3 398.463 0.319 20 0 GCADHN CCCn1ccnc1CCCN(C)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420056684 1194163723 /nfs/dbraw/zinc/16/37/23/1194163723.db2.gz IUEOOQTUVABUKT-HUUCEWRRSA-N 0 3 379.505 0.913 20 0 GCADHN CCc1ccc([C@@H]2COCCN2C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)o1 ZINC000420037181 1194164891 /nfs/dbraw/zinc/16/48/91/1194164891.db2.gz LWKCVUMHLYXYRQ-SNPRPXQTSA-N 0 3 379.457 0.971 20 0 GCADHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420037607 1194165369 /nfs/dbraw/zinc/16/53/69/1194165369.db2.gz MGYISRXEOUZSFT-RBSFLKMASA-N 0 3 391.468 0.904 20 0 GCADHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420037609 1194165522 /nfs/dbraw/zinc/16/55/22/1194165522.db2.gz MGYISRXEOUZSFT-ZNMIVQPWSA-N 0 3 391.468 0.904 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000420037572 1194165660 /nfs/dbraw/zinc/16/56/60/1194165660.db2.gz MEFSFXHVQSMOHJ-OCCSQVGLSA-N 0 3 394.497 0.262 20 0 GCADHN Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)c1 ZINC000420039799 1194166035 /nfs/dbraw/zinc/16/60/35/1194166035.db2.gz OEPUMTYVOCQKMS-GOEBONIOSA-N 0 3 390.484 0.989 20 0 GCADHN COC(=O)c1cccc2c1CCN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C2 ZINC000420043082 1194167610 /nfs/dbraw/zinc/16/76/10/1194167610.db2.gz RGJGRGDGJJPISG-WBMJQRKESA-N 0 3 389.452 0.587 20 0 GCADHN Cc1csc(N2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)n1 ZINC000420043890 1194168094 /nfs/dbraw/zinc/16/80/94/1194168094.db2.gz SIYQMGKYOWUHDO-CHWSQXEVSA-N 0 3 381.502 0.329 20 0 GCADHN Cc1ccccc1CN1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420046172 1194168266 /nfs/dbraw/zinc/16/82/66/1194168266.db2.gz VKOZOAVZNJYNDX-SJLPKXTDSA-N 0 3 388.512 0.868 20 0 GCADHN Cc1csc(N2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)n1 ZINC000420043892 1194168316 /nfs/dbraw/zinc/16/83/16/1194168316.db2.gz SIYQMGKYOWUHDO-QWHCGFSZSA-N 0 3 381.502 0.329 20 0 GCADHN CC(=O)NCCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420047190 1194168730 /nfs/dbraw/zinc/16/87/30/1194168730.db2.gz WCGKCYHJNDIFKM-WFASDCNBSA-N 0 3 396.513 0.442 20 0 GCADHN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420047051 1194168865 /nfs/dbraw/zinc/16/88/65/1194168865.db2.gz VXMZJDXEEZSWDU-QLFBSQMISA-N 0 3 383.489 0.796 20 0 GCADHN CC(=O)NCCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420047187 1194168890 /nfs/dbraw/zinc/16/88/90/1194168890.db2.gz WCGKCYHJNDIFKM-SWLSCSKDSA-N 0 3 396.513 0.442 20 0 GCADHN COc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)c1 ZINC000420050988 1194169494 /nfs/dbraw/zinc/16/94/94/1194169494.db2.gz ZPPUHRFESVNJSY-PBHICJAKSA-N 0 3 390.484 0.573 20 0 GCADHN COc1c(C)cnc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1C ZINC000420054482 1194170060 /nfs/dbraw/zinc/17/00/60/1194170060.db2.gz HEMPJURUOFMSHH-KBPBESRZSA-N 0 3 378.473 0.895 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000420054446 1194170294 /nfs/dbraw/zinc/17/02/94/1194170294.db2.gz HDKQKZNVTIRUAC-IACUBPJLSA-N 0 3 390.488 0.617 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000420050760 1194170311 /nfs/dbraw/zinc/17/03/11/1194170311.db2.gz ZOVJQHWSUHMSOK-VBNZEHGJSA-N 0 3 379.432 0.955 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCSC[C@H]1c1cnn(C)c1 ZINC000420053065 1194170387 /nfs/dbraw/zinc/17/03/87/1194170387.db2.gz GBUZUDXYOLSLMD-YUTCNCBUSA-N 0 3 381.502 0.266 20 0 GCADHN Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)C2)no1 ZINC000420067289 1194171543 /nfs/dbraw/zinc/17/15/43/1194171543.db2.gz RRYMPPMTSVYWIL-UBHSHLNASA-N 0 3 379.461 0.388 20 0 GCADHN COc1ccc2c(c1)OCCN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C2 ZINC000420068309 1194171688 /nfs/dbraw/zinc/17/16/88/1194171688.db2.gz SZRFOOUOKHXZPJ-WFASDCNBSA-N 0 3 377.441 0.645 20 0 GCADHN COC(=O)c1cc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)oc1C ZINC000420069817 1194172082 /nfs/dbraw/zinc/17/20/82/1194172082.db2.gz UXJXESCCGIKHGM-FZMZJTMJSA-N 0 3 381.429 0.562 20 0 GCADHN CNC(=O)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000420073747 1194172633 /nfs/dbraw/zinc/17/26/33/1194172633.db2.gz YOHVPFVUYLSJQN-DOMZBBRYSA-N 0 3 376.457 0.234 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000420074835 1194173084 /nfs/dbraw/zinc/17/30/84/1194173084.db2.gz ZYFPCQBLRPZDGY-FUHWJXTLSA-N 0 3 388.512 0.603 20 0 GCADHN CN(CCN1CCOCC1)C(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000420079024 1194173817 /nfs/dbraw/zinc/17/38/17/1194173817.db2.gz PQXXURNUSOGLNE-IBGZPJMESA-N 0 3 384.480 0.746 20 0 GCADHN C[C@]1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCC[NH2+]C1 ZINC000420089346 1194175668 /nfs/dbraw/zinc/17/56/68/1194175668.db2.gz DAISKARKHLBRKK-FQEVSTJZSA-N 0 3 388.468 0.183 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000420066458 1194175940 /nfs/dbraw/zinc/17/59/40/1194175940.db2.gz QSGIUEFTTPWRHR-BHYGNILZSA-N 0 3 397.516 0.792 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)cs1 ZINC000420065731 1194176145 /nfs/dbraw/zinc/17/61/45/1194176145.db2.gz PXSSKIHWUPWEGE-WFASDCNBSA-N 0 3 395.529 0.325 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000420064709 1194176207 /nfs/dbraw/zinc/17/62/07/1194176207.db2.gz UOMALDFYMHOLDI-SJORKVTESA-N 0 3 385.420 0.356 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000420065672 1194176418 /nfs/dbraw/zinc/17/64/18/1194176418.db2.gz PSCIMLRRANAVFW-MWLCHTKSSA-N 0 3 391.394 0.627 20 0 GCADHN NCC(F)(F)CNC(=O)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000420157110 1194190565 /nfs/dbraw/zinc/19/05/65/1194190565.db2.gz WRABROZBQPBCSJ-GFCCVEGCSA-N 0 3 378.383 0.845 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC(F)(F)CN ZINC000420162090 1194191828 /nfs/dbraw/zinc/19/18/28/1194191828.db2.gz CXZVAZUMHPBPSU-UHFFFAOYSA-N 0 3 378.370 0.565 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000420198019 1194202602 /nfs/dbraw/zinc/20/26/02/1194202602.db2.gz KAXKOMSREPTYDW-IUODEOHRSA-N 0 3 385.823 0.484 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000420198999 1194202900 /nfs/dbraw/zinc/20/29/00/1194202900.db2.gz MYUKJNGGQBOCEN-CABCVRRESA-N 0 3 375.425 0.226 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000420203040 1194204382 /nfs/dbraw/zinc/20/43/82/1194204382.db2.gz PZPRVVXRHSVZDA-SWLSCSKDSA-N 0 3 391.859 0.984 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000420206176 1194205289 /nfs/dbraw/zinc/20/52/89/1194205289.db2.gz SLFSDLMRMWZVPV-TZMCWYRMSA-N 0 3 390.415 0.778 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC000420187242 1194205784 /nfs/dbraw/zinc/20/57/84/1194205784.db2.gz BLELYDSAGMVODD-FUHWJXTLSA-N 0 3 375.469 0.380 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC000420187243 1194206079 /nfs/dbraw/zinc/20/60/79/1194206079.db2.gz BLELYDSAGMVODD-SJLPKXTDSA-N 0 3 375.469 0.380 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000420187917 1194206629 /nfs/dbraw/zinc/20/66/29/1194206629.db2.gz BYKRLJOBTLEDPS-WFASDCNBSA-N 0 3 385.823 0.484 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000420189857 1194206736 /nfs/dbraw/zinc/20/67/36/1194206736.db2.gz FEUGGXKWVJFJJM-HOCLYGCPSA-N 0 3 377.416 0.352 20 0 GCADHN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420191677 1194207501 /nfs/dbraw/zinc/20/75/01/1194207501.db2.gz HHXAEIJUIZHJJN-ZDUSSCGKSA-N 0 3 375.347 0.648 20 0 GCADHN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420191676 1194207779 /nfs/dbraw/zinc/20/77/79/1194207779.db2.gz HHXAEIJUIZHJJN-CYBMUJFWSA-N 0 3 375.347 0.648 20 0 GCADHN O=C(NCc1ccc([O-])c(F)c1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420224217 1194210436 /nfs/dbraw/zinc/21/04/36/1194210436.db2.gz WQTZSOAHJXQACB-ZDUSSCGKSA-N 0 3 392.353 0.100 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000420209849 1194212157 /nfs/dbraw/zinc/21/21/57/1194212157.db2.gz VUACZCNXKAWRBO-NEPJUHHUSA-N 0 3 389.378 0.170 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC000420210504 1194212373 /nfs/dbraw/zinc/21/23/73/1194212373.db2.gz WJHWQVAZCMNLJD-IBGZPJMESA-N 0 3 382.464 0.758 20 0 GCADHN COc1cccc(C2(F)CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000420211006 1194212898 /nfs/dbraw/zinc/21/28/98/1194212898.db2.gz WUUUUCDSJUOXER-MRXNPFEDSA-N 0 3 379.432 0.587 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000420210978 1194212907 /nfs/dbraw/zinc/21/29/07/1194212907.db2.gz WRPORNVUOKNUGF-HIFRSBDPSA-N 0 3 375.425 0.226 20 0 GCADHN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420214584 1194213862 /nfs/dbraw/zinc/21/38/62/1194213862.db2.gz ZMZSMUZWCVYTMN-DVOMOZLQSA-N 0 3 381.860 0.733 20 0 GCADHN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420369077 1194224609 /nfs/dbraw/zinc/22/46/09/1194224609.db2.gz BJQRWDDBCGBWEQ-HZPDHXFCSA-N 0 3 378.477 0.318 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000513720176 1194224775 /nfs/dbraw/zinc/22/47/75/1194224775.db2.gz HXWVGKOUMJKNCD-KRWDZBQOSA-N 0 3 388.578 0.677 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)cn1 ZINC000420470470 1194230745 /nfs/dbraw/zinc/23/07/45/1194230745.db2.gz MKQZLRALNQTVKO-DZGCQCFKSA-N 0 3 399.469 0.740 20 0 GCADHN NCc1cn([C@H]2CCCN(S(=O)(=O)CCOCc3ccccc3)C2)nn1 ZINC000420481473 1194231625 /nfs/dbraw/zinc/23/16/25/1194231625.db2.gz RBSXMEOZOPKBFW-KRWDZBQOSA-N 0 3 379.486 0.920 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c(C)c1 ZINC000420479676 1194232883 /nfs/dbraw/zinc/23/28/83/1194232883.db2.gz NIQKYOULDXDDGC-HNNXBMFYSA-N 0 3 393.469 0.858 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000420639393 1194252985 /nfs/dbraw/zinc/25/29/85/1194252985.db2.gz QAVSENMNXOKLOD-KGLIPLIRSA-N 0 3 394.520 0.744 20 0 GCADHN COCCN1CCC(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)CC1 ZINC000502041750 1194260288 /nfs/dbraw/zinc/26/02/88/1194260288.db2.gz PAHVXLHASIFEKG-YQQAZPJKSA-N 0 3 384.546 0.939 20 0 GCADHN COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)N(C)C ZINC000420813424 1194266665 /nfs/dbraw/zinc/26/66/65/1194266665.db2.gz HHUYMSOROQMYSB-DOTOQJQBSA-N 0 3 376.501 0.967 20 0 GCADHN CCCN1C[C@@H](CNC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1=O ZINC000420849172 1194268485 /nfs/dbraw/zinc/26/84/85/1194268485.db2.gz YJYRTBXOHVTQJG-QZTJIDSGSA-N 0 3 388.512 0.650 20 0 GCADHN COc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)N(C)C)c1 ZINC000420849916 1194268913 /nfs/dbraw/zinc/26/89/13/1194268913.db2.gz UWJURLZLLMMMIL-WMZOPIPTSA-N 0 3 376.501 0.967 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](CCO)CC1 ZINC000421021342 1194285608 /nfs/dbraw/zinc/28/56/08/1194285608.db2.gz SIFXBLWSYAGWOU-CVEARBPZSA-N 0 3 397.541 0.866 20 0 GCADHN O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000502262491 1194289683 /nfs/dbraw/zinc/28/96/83/1194289683.db2.gz CRSWTOZQVHIKGX-SJORKVTESA-N 0 3 376.501 0.733 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1)c1cccc(OC)c1 ZINC000421064819 1194290689 /nfs/dbraw/zinc/29/06/89/1194290689.db2.gz PMCZQNYCTMWIPJ-NXHRZFHOSA-N 0 3 393.484 0.006 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502278795 1194291548 /nfs/dbraw/zinc/29/15/48/1194291548.db2.gz NEIDAINAISFPDO-JKSUJKDBSA-N 0 3 376.457 0.439 20 0 GCADHN O=C(Nc1ccccc1O[C@@H]1CC(=O)N1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000421178103 1194301713 /nfs/dbraw/zinc/30/17/13/1194301713.db2.gz BEKWVIJGGYYNLG-RDTXWAMCSA-N 0 3 386.452 0.937 20 0 GCADHN CCOC(=O)Cn1cc(CNC[C@H]2CN(C)CCN2C)c(-c2cccnc2)n1 ZINC000894255861 1194306594 /nfs/dbraw/zinc/30/65/94/1194306594.db2.gz KSHHVGXJSVCGDW-SFHVURJKSA-N 0 3 386.500 0.844 20 0 GCADHN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000421307692 1194321600 /nfs/dbraw/zinc/32/16/00/1194321600.db2.gz XNOUGLZWGQUKQN-GFCCVEGCSA-N 0 3 393.440 0.982 20 0 GCADHN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000421309528 1194322562 /nfs/dbraw/zinc/32/25/62/1194322562.db2.gz ZZGVGOIMWFPAOQ-OAHLLOKOSA-N 0 3 398.467 0.771 20 0 GCADHN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000421292425 1194323521 /nfs/dbraw/zinc/32/35/21/1194323521.db2.gz AVTLYRWESDVDSL-HNNXBMFYSA-N 0 3 376.457 0.645 20 0 GCADHN CSc1nnnn1-c1cccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000421293552 1194323579 /nfs/dbraw/zinc/32/35/79/1194323579.db2.gz DRQMWGHYCWFWPS-CQSZACIVSA-N 0 3 389.485 0.875 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000421293794 1194324679 /nfs/dbraw/zinc/32/46/79/1194324679.db2.gz FACNTLQLVZEBJG-CYBMUJFWSA-N 0 3 382.486 0.394 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000421405565 1194335970 /nfs/dbraw/zinc/33/59/70/1194335970.db2.gz ICHLXYFPCBWLSE-LJQANCHMSA-N 0 3 388.512 0.688 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)CC2)C1 ZINC000421523467 1194344400 /nfs/dbraw/zinc/34/44/00/1194344400.db2.gz TVBOMIVUQMQXDZ-IRXDYDNUSA-N 0 3 378.517 0.838 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000421523366 1194344430 /nfs/dbraw/zinc/34/44/30/1194344430.db2.gz SWWBKNPQONGCOP-HNNXBMFYSA-N 0 3 393.532 0.860 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000502701239 1194348920 /nfs/dbraw/zinc/34/89/20/1194348920.db2.gz TZQKDBWSHULTKZ-QGZVFWFLSA-N 0 3 398.529 0.879 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000502701238 1194349178 /nfs/dbraw/zinc/34/91/78/1194349178.db2.gz TZQKDBWSHULTKZ-KRWDZBQOSA-N 0 3 398.529 0.879 20 0 GCADHN CC(=O)N[C@@](C)(C(=O)N(C)C[C@@H]1CCCN1C)c1ccc(S(C)(=O)=O)cc1 ZINC000421711573 1194358349 /nfs/dbraw/zinc/35/83/49/1194358349.db2.gz OWPOEUXSABZIBN-QFBILLFUSA-N 0 3 395.525 0.994 20 0 GCADHN CCN(CC(=O)NCc1cccs1)C(=O)CN[C@H]1CCC[C@H]1C(=O)NC ZINC000502841698 1194359633 /nfs/dbraw/zinc/35/96/33/1194359633.db2.gz LNSRVKBOPOERPJ-CABCVRRESA-N 0 3 380.514 0.717 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000502841372 1194360609 /nfs/dbraw/zinc/36/06/09/1194360609.db2.gz NCNPDYUNCQLXTI-WCQYABFASA-N 0 3 377.836 0.759 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000502866927 1194364717 /nfs/dbraw/zinc/36/47/17/1194364717.db2.gz UOLDXKPXIDEORG-GLQYFDAESA-N 0 3 394.497 0.116 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000502909732 1194366342 /nfs/dbraw/zinc/36/63/42/1194366342.db2.gz IAPQCNUJLMQEMM-KRWDZBQOSA-N 0 3 375.521 0.724 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000502909733 1194366596 /nfs/dbraw/zinc/36/65/96/1194366596.db2.gz IAPQCNUJLMQEMM-QGZVFWFLSA-N 0 3 375.521 0.724 20 0 GCADHN COc1cccc(C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)c1 ZINC000502947002 1194369351 /nfs/dbraw/zinc/36/93/51/1194369351.db2.gz OXCSIEKYKFNVPW-YTQUADARSA-N 0 3 377.485 0.920 20 0 GCADHN COc1cccc(C[C@H](NC(C)=O)C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)c1 ZINC000502947001 1194369552 /nfs/dbraw/zinc/36/95/52/1194369552.db2.gz OXCSIEKYKFNVPW-WDSOQIARSA-N 0 3 377.485 0.920 20 0 GCADHN COC(=O)[C@H]1CCc2sc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)nc2C1 ZINC000421967673 1194376135 /nfs/dbraw/zinc/37/61/35/1194376135.db2.gz OZSAOEVCHOTVQU-RYUDHWBXSA-N 0 3 394.497 0.770 20 0 GCADHN CC[NH+]1CCC(N2CCCN(C(=O)c3cc(=O)[n-]c(N(C)C)n3)CC2)CC1 ZINC000422017448 1194378870 /nfs/dbraw/zinc/37/88/70/1194378870.db2.gz IZVBJWUYAPTPHI-UHFFFAOYSA-N 0 3 376.505 0.880 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000422095777 1194383530 /nfs/dbraw/zinc/38/35/30/1194383530.db2.gz HLPZJLMRSHZROH-INIZCTEOSA-N 0 3 392.525 0.975 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000422103747 1194386561 /nfs/dbraw/zinc/38/65/61/1194386561.db2.gz OBOYKZPARHDLDA-SFHVURJKSA-N 0 3 386.496 0.960 20 0 GCADHN C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000422124103 1194390111 /nfs/dbraw/zinc/39/01/11/1194390111.db2.gz UYRMGJUQHSANDC-GJZGRUSLSA-N 0 3 379.530 0.901 20 0 GCADHN CC(=O)N[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000422129972 1194390365 /nfs/dbraw/zinc/39/03/65/1194390365.db2.gz FZONWWDMRGRXKC-HNNXBMFYSA-N 0 3 396.438 0.592 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000422121841 1194396152 /nfs/dbraw/zinc/39/61/52/1194396152.db2.gz RSDBMNHHWWNQGD-CQSZACIVSA-N 0 3 383.514 0.637 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@@H](C)O1 ZINC000422145320 1194399629 /nfs/dbraw/zinc/39/96/29/1194399629.db2.gz ULNFTKRJEVEGSO-TVFCKZIOSA-N 0 3 380.533 0.639 20 0 GCADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC000414576863 1194403641 /nfs/dbraw/zinc/40/36/41/1194403641.db2.gz IPKZNEVBNOUBNQ-NVXWUHKLSA-N 0 3 397.903 0.432 20 0 GCADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC000414576866 1194403694 /nfs/dbraw/zinc/40/36/94/1194403694.db2.gz IPKZNEVBNOUBNQ-RDJZCZTQSA-N 0 3 397.903 0.432 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000271700553 1194404858 /nfs/dbraw/zinc/40/48/58/1194404858.db2.gz UBHMRSZVQTVRBC-ZDUSSCGKSA-N 0 3 376.461 0.577 20 0 GCADHN 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GCADHN CCOC(=O)COc1ccc(NC(=O)C(=O)N(CCOC)CCN(C)C)cc1 ZINC000273057733 1194534966 /nfs/dbraw/zinc/53/49/66/1194534966.db2.gz DLABJQPPPJGWMT-UHFFFAOYSA-N 0 3 395.456 0.604 20 0 GCADHN COc1cc(CN[C@@H](C)C[S@@](C)=O)ccc1OCC(=O)N1CCOCC1 ZINC000273059310 1194535630 /nfs/dbraw/zinc/53/56/30/1194535630.db2.gz LZDKSUDUMLNAQY-RMKBEBRYSA-N 0 3 384.498 0.789 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccsc2C(=O)OC)CC1 ZINC000273090859 1194538291 /nfs/dbraw/zinc/53/82/91/1194538291.db2.gz SMVFBIHDDGIOME-UHFFFAOYSA-N 0 3 382.486 0.617 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H]1O ZINC000664290696 1194547312 /nfs/dbraw/zinc/54/73/12/1194547312.db2.gz MZKXMEUJPNIEFN-OALUTQOASA-N 0 3 388.512 0.784 20 0 GCADHN COCCN(CCN(C)C)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000273240558 1194548469 /nfs/dbraw/zinc/54/84/69/1194548469.db2.gz NBAQKXYZHUUSKW-KRWDZBQOSA-N 0 3 377.489 0.792 20 0 GCADHN CCCCn1c(N)c(N(CC)C(=O)CN[C@@H](COC)C2CC2)c(=O)[nH]c1=O ZINC000273275422 1194551299 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SCVFQLILZNADAJ-UVFQYZLESA-N 0 3 396.532 0.365 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000422320399 1194612799 /nfs/dbraw/zinc/61/27/99/1194612799.db2.gz VMYPDKAYQOXGDZ-MRXNPFEDSA-N 0 3 381.546 0.000 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000422324216 1194614240 /nfs/dbraw/zinc/61/42/40/1194614240.db2.gz HRJSZJGSHWCVTA-VXGBXAGGSA-N 0 3 378.395 0.207 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000422311587 1194616892 /nfs/dbraw/zinc/61/68/92/1194616892.db2.gz YRFRARDUUUAAOP-DLBZAZTESA-N 0 3 378.517 0.981 20 0 GCADHN C[C@H](CN(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000422332257 1194618357 /nfs/dbraw/zinc/61/83/57/1194618357.db2.gz DSPBFBIMULAQNJ-OAHLLOKOSA-N 0 3 398.548 0.565 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN(C(COC)COC)CC1 ZINC000422331295 1194618395 /nfs/dbraw/zinc/61/83/95/1194618395.db2.gz XAAWZMQULQRSPV-QGZVFWFLSA-N 0 3 398.548 0.173 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000422338987 1194620329 /nfs/dbraw/zinc/62/03/29/1194620329.db2.gz KTTFUGNDKITMMT-JKSUJKDBSA-N 0 3 392.525 0.908 20 0 GCADHN CN1CCO[C@@H]2CN(C(=O)C(=O)NCCN3CCC4(CCCCC4)CC3)C[C@@H]21 ZINC000422367383 1194624341 /nfs/dbraw/zinc/62/43/41/1194624341.db2.gz RKCQVRXFNOIHDP-ZWKOTPCHSA-N 0 3 392.544 0.690 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000422377752 1194626344 /nfs/dbraw/zinc/62/63/44/1194626344.db2.gz KFWAYHBMAXYAPF-CQSZACIVSA-N 0 3 378.439 0.930 20 0 GCADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000422383111 1194630807 /nfs/dbraw/zinc/63/08/07/1194630807.db2.gz VNFVLGQUNMLINP-OAHLLOKOSA-N 0 3 380.514 0.765 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000422385237 1194631456 /nfs/dbraw/zinc/63/14/56/1194631456.db2.gz HCNMROFOXRKJQQ-RYUDHWBXSA-N 0 3 378.395 0.209 20 0 GCADHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000422395197 1194635469 /nfs/dbraw/zinc/63/54/69/1194635469.db2.gz FNSFIOTYOXEXEM-RTBURBONSA-N 0 3 388.512 0.996 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000637718678 1194637403 /nfs/dbraw/zinc/63/74/03/1194637403.db2.gz IYNZBKFMNVOLMR-DLBZAZTESA-N 0 3 380.514 0.902 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000422406791 1194639036 /nfs/dbraw/zinc/63/90/36/1194639036.db2.gz YHQCTBRFLOTWTQ-DOMZBBRYSA-N 0 3 394.422 0.739 20 0 GCADHN COC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)[C@H]1CCCO1 ZINC000422428925 1194642850 /nfs/dbraw/zinc/64/28/50/1194642850.db2.gz RQUZMXVJOHWOJJ-JKSUJKDBSA-N 0 3 383.514 0.949 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000422431558 1194644125 /nfs/dbraw/zinc/64/41/25/1194644125.db2.gz LGFHUZIYXWUERT-OAHLLOKOSA-N 0 3 383.533 0.907 20 0 GCADHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000422439660 1194645950 /nfs/dbraw/zinc/64/59/50/1194645950.db2.gz CHTDCBROMSZZLH-IAGOWNOFSA-N 0 3 394.516 0.217 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nc1C ZINC000422469220 1194646743 /nfs/dbraw/zinc/64/67/43/1194646743.db2.gz COHZIUYRSILGFV-KRWDZBQOSA-N 0 3 387.484 0.080 20 0 GCADHN COCC1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000422514578 1194658350 /nfs/dbraw/zinc/65/83/50/1194658350.db2.gz FLJCGNMEWIZKPB-OFLPRAFFSA-N 0 3 394.516 0.073 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422520017 1194659949 /nfs/dbraw/zinc/65/99/49/1194659949.db2.gz QQSJBXMKSVHOMO-MRXNPFEDSA-N 0 3 376.432 0.600 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422523140 1194660836 /nfs/dbraw/zinc/66/08/36/1194660836.db2.gz YBMKMEGCLVBPKS-HOTGVXAUSA-N 0 3 376.432 0.648 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C2(OC)CCC2)CC1 ZINC000422524727 1194660982 /nfs/dbraw/zinc/66/09/82/1194660982.db2.gz GMNQILVEBDVIRE-OAHLLOKOSA-N 0 3 382.505 0.073 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422523142 1194661055 /nfs/dbraw/zinc/66/10/55/1194661055.db2.gz YBMKMEGCLVBPKS-JKSUJKDBSA-N 0 3 376.432 0.648 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000422525572 1194661876 /nfs/dbraw/zinc/66/18/76/1194661876.db2.gz FGVXSOAJTNHSGH-CWLKWCNXSA-N 0 3 391.516 0.942 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O)C1=CCN(C)CC1 ZINC000422534861 1194664200 /nfs/dbraw/zinc/66/42/00/1194664200.db2.gz ZJCMFMUNROCCAK-GUYCJALGSA-N 0 3 388.443 0.814 20 0 GCADHN CCOC[C@H](NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000503440294 1194668046 /nfs/dbraw/zinc/66/80/46/1194668046.db2.gz DNWZJTADMQOUQX-BBWFWOEESA-N 0 3 390.546 0.832 20 0 GCADHN CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000422552301 1194668604 /nfs/dbraw/zinc/66/86/04/1194668604.db2.gz PYLFFEISGQKQHR-QZTJIDSGSA-N 0 3 393.513 0.961 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000422589537 1194669517 /nfs/dbraw/zinc/66/95/17/1194669517.db2.gz MLIBNXCCBYFPOE-UONOGXRCSA-N 0 3 376.448 0.011 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCC(C)(C)C1(O)CCOCC1)N1CCC[C@@H](C)C1 ZINC000422577019 1194671316 /nfs/dbraw/zinc/67/13/16/1194671316.db2.gz AKFWWMGGJJOTEF-CVEARBPZSA-N 0 3 383.533 0.907 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CC1(C)C ZINC000422583994 1194672161 /nfs/dbraw/zinc/67/21/61/1194672161.db2.gz YQEGLDVKRVZGTK-JKSUJKDBSA-N 0 3 378.517 0.694 20 0 GCADHN CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cn(CC(N)=O)nn1 ZINC000503461741 1194673158 /nfs/dbraw/zinc/67/31/58/1194673158.db2.gz MPYWYVJEELTBTN-OAHLLOKOSA-N 0 3 386.456 0.596 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503479669 1194677792 /nfs/dbraw/zinc/67/77/92/1194677792.db2.gz OQCZFFTUZDGROW-OAGGEKHMSA-N 0 3 382.486 0.777 20 0 GCADHN CCS(=O)(=O)C1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000664323952 1194691159 /nfs/dbraw/zinc/69/11/59/1194691159.db2.gz QTXGZNWNRUFJON-UHFFFAOYSA-N 0 3 395.525 0.972 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000041718569 1194700757 /nfs/dbraw/zinc/70/07/57/1194700757.db2.gz UYJLZKDYAPCAOB-UHFFFAOYSA-N 0 3 396.875 0.819 20 0 GCADHN CC(C)(CNC(=O)C(=O)NCCNC(=O)c1cccnc1)N1CCCCC1 ZINC000549963781 1194709933 /nfs/dbraw/zinc/70/99/33/1194709933.db2.gz BYTUFJQNQMKXJW-UHFFFAOYSA-N 0 3 375.473 0.308 20 0 GCADHN N[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)C1CCC1 ZINC000422949150 1194711964 /nfs/dbraw/zinc/71/19/64/1194711964.db2.gz UEQMKOGCMOUYFP-OAHLLOKOSA-N 0 3 393.469 0.229 20 0 GCADHN O=C(CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1)N1CCCCC1 ZINC000414721242 1194733880 /nfs/dbraw/zinc/73/38/80/1194733880.db2.gz BMERXXPVXBUWDU-UHFFFAOYSA-N 0 3 399.495 0.385 20 0 GCADHN C[C@H]([C@H](C)N(C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1)S(C)(=O)=O ZINC000423320632 1194747535 /nfs/dbraw/zinc/74/75/35/1194747535.db2.gz MIOYABLQRLMAJM-SHUKQUCYSA-N 0 3 399.488 0.359 20 0 GCADHN C[C@H]([C@H](C)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)S(C)(=O)=O ZINC000423330105 1194749709 /nfs/dbraw/zinc/74/97/09/1194749709.db2.gz TXIQDTAXPICAEW-CQJJVWNLSA-N 0 3 399.488 0.359 20 0 GCADHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1(C)C ZINC000423383256 1194752389 /nfs/dbraw/zinc/75/23/89/1194752389.db2.gz DYFCEAXZCJXQFI-ARFHVFGLSA-N 0 3 392.504 0.562 20 0 GCADHN C[C@@H]1COc2ccccc2CN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423558250 1194763622 /nfs/dbraw/zinc/76/36/22/1194763622.db2.gz CRRYKONORTXRHL-RHSMWYFYSA-N 0 3 398.467 0.710 20 0 GCADHN CC(C)(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCO1 ZINC000423590837 1194767081 /nfs/dbraw/zinc/76/70/81/1194767081.db2.gz GMNBYTGOWMLRRX-HUUCEWRRSA-N 0 3 378.477 0.174 20 0 GCADHN CCC[C@@]1(COC)CCCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423566376 1194767685 /nfs/dbraw/zinc/76/76/85/1194767685.db2.gz ZEIHURGDHZDVKQ-LPHOPBHVSA-N 0 3 392.504 0.708 20 0 GCADHN CS[C@H]1CCCCN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000423573818 1194768826 /nfs/dbraw/zinc/76/88/26/1194768826.db2.gz WJUQOQQOYKVCSK-GJZGRUSLSA-N 0 3 380.518 0.644 20 0 GCADHN CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C1 ZINC000423578105 1194769681 /nfs/dbraw/zinc/76/96/81/1194769681.db2.gz KEKAABPVROUKHV-YESZJQIVSA-N 0 3 393.509 0.365 20 0 GCADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCS1 ZINC000423579953 1194769821 /nfs/dbraw/zinc/76/98/21/1194769821.db2.gz XFWZOVYHRRSMPQ-CABCVRRESA-N 0 3 380.518 0.500 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000423603088 1194771975 /nfs/dbraw/zinc/77/19/75/1194771975.db2.gz DPEIXVYPROTBIR-FOIQADDNSA-N 0 3 387.484 0.724 20 0 GCADHN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000423602375 1194772051 /nfs/dbraw/zinc/77/20/51/1194772051.db2.gz CZKWSHHBEMGJCK-ZDUSSCGKSA-N 0 3 393.875 0.734 20 0 GCADHN O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423604564 1194772507 /nfs/dbraw/zinc/77/25/07/1194772507.db2.gz GLXYYXBDNRNXHK-UHFFFAOYSA-N 0 3 392.887 0.375 20 0 GCADHN O=C(Cc1ccccc1Cl)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423608579 1194772867 /nfs/dbraw/zinc/77/28/67/1194772867.db2.gz KHBSSZRVEDEYHB-UHFFFAOYSA-N 0 3 392.887 0.375 20 0 GCADHN COc1ccc(OC)c(CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)c1 ZINC000423614692 1194773816 /nfs/dbraw/zinc/77/38/16/1194773816.db2.gz TWFLLCDPHQOALU-UHFFFAOYSA-N 0 3 390.484 0.170 20 0 GCADHN C[C@@H]1CNCCN1C(=O)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000423615732 1194773953 /nfs/dbraw/zinc/77/39/53/1194773953.db2.gz ZGULPRXIQWDMPD-CQSZACIVSA-N 0 3 382.468 0.998 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000423615137 1194773991 /nfs/dbraw/zinc/77/39/91/1194773991.db2.gz UGRUSUIXSWSAPV-UHFFFAOYSA-N 0 3 394.903 0.685 20 0 GCADHN CC(C)(C(=O)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1)c1ccccc1 ZINC000423600030 1194775300 /nfs/dbraw/zinc/77/53/00/1194775300.db2.gz ADLMWEDRIOMTAX-UHFFFAOYSA-N 0 3 386.496 0.457 20 0 GCADHN CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423631078 1194775769 /nfs/dbraw/zinc/77/57/69/1194775769.db2.gz ZLRWATMOQILUTQ-MRXNPFEDSA-N 0 3 390.484 0.508 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C[C@H]1C[NH3+] ZINC000423702967 1194784061 /nfs/dbraw/zinc/78/40/61/1194784061.db2.gz AUKCKGITGFYWPS-LSDHHAIUSA-N 0 3 388.468 0.120 20 0 GCADHN [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000423672362 1194784180 /nfs/dbraw/zinc/78/41/80/1194784180.db2.gz DSDQWXXGRVIWCT-HNNXBMFYSA-N 0 3 388.468 0.264 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCN(Cc3ccccc3)CC2)CCN1 ZINC000423673120 1194784229 /nfs/dbraw/zinc/78/42/29/1194784229.db2.gz FSNFWERKGVLUQM-SFHVURJKSA-N 0 3 387.528 0.083 20 0 GCADHN CN(CC1(O)CCCCCC1)C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423710597 1194787269 /nfs/dbraw/zinc/78/72/69/1194787269.db2.gz PZEOIFDAWSJODN-INIZCTEOSA-N 0 3 392.504 0.444 20 0 GCADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)[C@H]1C[NH3+] ZINC000423726177 1194789334 /nfs/dbraw/zinc/78/93/34/1194789334.db2.gz IKIAKKRYJDAVQD-HOCLYGCPSA-N 0 3 388.468 0.262 20 0 GCADHN O=C(NCc1cccc(N2CCOCC2)n1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894285756 1194793541 /nfs/dbraw/zinc/79/35/41/1194793541.db2.gz PPYVDXDDQAUKRJ-ZWKOTPCHSA-N 0 3 389.500 0.659 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000504414502 1194793820 /nfs/dbraw/zinc/79/38/20/1194793820.db2.gz RQKAZYFDUIEFQA-UHFFFAOYSA-N 0 3 383.518 0.579 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CN1C1CC1 ZINC000664368262 1194794099 /nfs/dbraw/zinc/79/40/99/1194794099.db2.gz QBNXKRITHARWNY-QWHCGFSZSA-N 0 3 382.490 0.051 20 0 GCADHN O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)NC[C@H]1CNCCO1 ZINC000423993091 1194797492 /nfs/dbraw/zinc/79/74/92/1194797492.db2.gz PTZZAQAHVZYXPP-QGZVFWFLSA-N 0 3 395.525 0.729 20 0 GCADHN COc1ccc(CCN2C[C@@H](C(=O)NC[C@H]3CNCCO3)CC2=O)cc1OC ZINC000423994354 1194797509 /nfs/dbraw/zinc/79/75/09/1194797509.db2.gz SFFQCCMGUJTXCV-JKSUJKDBSA-N 0 3 391.468 0.199 20 0 GCADHN COc1cc(N2C[C@H](C(=O)NC[C@@H]3CNCCO3)CC2=O)cc(OC)c1OC ZINC000423994023 1194797685 /nfs/dbraw/zinc/79/76/85/1194797685.db2.gz RRLGEYZBTZAJSW-OCCSQVGLSA-N 0 3 393.440 0.170 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000423987012 1194798207 /nfs/dbraw/zinc/79/82/07/1194798207.db2.gz HBXRMYZOKZLDSW-ZDUSSCGKSA-N 0 3 385.486 0.444 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000423987792 1194798395 /nfs/dbraw/zinc/79/83/95/1194798395.db2.gz IECOQMWSUAYXFY-INIZCTEOSA-N 0 3 383.514 0.754 20 0 GCADHN CCOC(=O)CSc1nnc([N-]C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)s1 ZINC000424075022 1194800755 /nfs/dbraw/zinc/80/07/55/1194800755.db2.gz IIOQLQVOVJMRGX-SECBINFHSA-N 0 3 397.486 0.962 20 0 GCADHN CC(=O)NCCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504620520 1194800796 /nfs/dbraw/zinc/80/07/96/1194800796.db2.gz LCYBBPLKSGCOKY-UHFFFAOYSA-N 0 3 375.473 0.408 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424070548 1194800986 /nfs/dbraw/zinc/80/09/86/1194800986.db2.gz CPKYCZZMTXDHIE-BXUZGUMPSA-N 0 3 378.454 0.875 20 0 GCADHN O=C(CCNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)NCc1ccccc1 ZINC000414780083 1194807559 /nfs/dbraw/zinc/80/75/59/1194807559.db2.gz SHIOJWPWHBXEFY-UHFFFAOYSA-N 0 3 396.447 0.930 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCN3)CC1 ZINC000414804643 1194827461 /nfs/dbraw/zinc/82/74/61/1194827461.db2.gz NULNDGRDACCWNF-UHFFFAOYSA-N 0 3 385.468 0.360 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001269700914 1194828590 /nfs/dbraw/zinc/82/85/90/1194828590.db2.gz IVGKGOUPBPAQRD-LZQZEXGQSA-N 0 3 389.500 0.122 20 0 GCADHN C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000505238456 1194831322 /nfs/dbraw/zinc/83/13/22/1194831322.db2.gz KPDUXVRYENWRSS-ZIAGYGMSSA-N 0 3 376.457 0.722 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CCn2c3ccccc3oc2=O)CC1 ZINC000505351273 1194835502 /nfs/dbraw/zinc/83/55/02/1194835502.db2.gz SCBHFXBOXUARAJ-UHFFFAOYSA-N 0 3 388.468 0.997 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccc(OCC(N)=O)c2)CC1 ZINC000505387097 1194836549 /nfs/dbraw/zinc/83/65/49/1194836549.db2.gz FCYSNFYXQSEKIL-UHFFFAOYSA-N 0 3 376.457 0.177 20 0 GCADHN C[C@H]1OCC[C@]1(O)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000434281246 1194838575 /nfs/dbraw/zinc/83/85/75/1194838575.db2.gz HBLHJFCGRLZMJT-QRWLVFNGSA-N 0 3 377.485 0.982 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CCCNC3=O)c2)CC1 ZINC000664422099 1194848042 /nfs/dbraw/zinc/84/80/42/1194848042.db2.gz OBHQTUZZKAQXLT-OAHLLOKOSA-N 0 3 387.484 0.409 20 0 GCADHN C[C@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@]2(CCOC2)O1 ZINC000366585511 1194848154 /nfs/dbraw/zinc/84/81/54/1194848154.db2.gz GOXFGHOZWLGGEB-QFBILLFUSA-N 0 3 375.473 0.395 20 0 GCADHN C[C@@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000366588710 1194850664 /nfs/dbraw/zinc/85/06/64/1194850664.db2.gz QEEYBTOHBYHAPI-DZGCQCFKSA-N 0 3 378.473 0.609 20 0 GCADHN C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1)n1cccn1 ZINC000434697773 1194860348 /nfs/dbraw/zinc/86/03/48/1194860348.db2.gz RHUBUBAARMTGGV-LBPRGKRZSA-N 0 3 382.428 0.785 20 0 GCADHN C[C@H](C(=O)N(C)CC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1)n1cccn1 ZINC000434697772 1194860488 /nfs/dbraw/zinc/86/04/88/1194860488.db2.gz RHUBUBAARMTGGV-GFCCVEGCSA-N 0 3 382.428 0.785 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN[C@H](C)[C@@H]2C)c1 ZINC000434710106 1194861298 /nfs/dbraw/zinc/86/12/98/1194861298.db2.gz ZHWMTOJWAPXDRJ-KGLIPLIRSA-N 0 3 384.502 0.088 20 0 GCADHN COc1ccc(COC[C@H](O)CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)cc1 ZINC000434714999 1194861836 /nfs/dbraw/zinc/86/18/36/1194861836.db2.gz VCENBIQBFWGANL-UYAOXDASSA-N 0 3 392.496 0.924 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000664448344 1194869781 /nfs/dbraw/zinc/86/97/81/1194869781.db2.gz PGJNAWCGAUHJQY-MRXNPFEDSA-N 0 3 381.521 0.439 20 0 GCADHN Cn1cnn(-c2ccc(NC(=O)NCCN3CCN(C)C(C)(C)C3)cc2)c1=O ZINC000281904184 1194874031 /nfs/dbraw/zinc/87/40/31/1194874031.db2.gz RUYBECHNAFJLTJ-UHFFFAOYSA-N 0 3 387.488 0.719 20 0 GCADHN Cc1nc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)sc1C ZINC000434854014 1194874299 /nfs/dbraw/zinc/87/42/99/1194874299.db2.gz SKTXCLDRPFQLJC-ZDUSSCGKSA-N 0 3 381.502 0.757 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cc([C@@H]3CCCO3)nn2C)CCSC1 ZINC000434925289 1194876774 /nfs/dbraw/zinc/87/67/74/1194876774.db2.gz LVNKATIPRFVYRV-GUYCJALGSA-N 0 3 381.502 0.764 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000664462760 1194882966 /nfs/dbraw/zinc/88/29/66/1194882966.db2.gz ONTMQFYHJWSGMG-HNNXBMFYSA-N 0 3 378.473 0.878 20 0 GCADHN CC1(C)NC(=O)N(CCN2CC[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1=O ZINC001028820871 1194883045 /nfs/dbraw/zinc/88/30/45/1194883045.db2.gz VBLSAKFPOYPCRC-TUVASFSCSA-N 0 3 378.473 0.322 20 0 GCADHN CNC(=O)COc1cccc(CC(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000435022546 1194883423 /nfs/dbraw/zinc/88/34/23/1194883423.db2.gz AJDJCBZQTIIWKJ-GOSISDBHSA-N 0 3 377.485 0.923 20 0 GCADHN COCCN1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1=O ZINC000282795182 1194891910 /nfs/dbraw/zinc/89/19/10/1194891910.db2.gz PVJXNOZRQACQPH-SFHVURJKSA-N 0 3 390.484 0.735 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000514684653 1194892832 /nfs/dbraw/zinc/89/28/32/1194892832.db2.gz YNLLRTWKDDZOHN-UONOGXRCSA-N 0 3 388.459 0.597 20 0 GCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@H](O)C3)c2)CC1 ZINC000435145872 1194893396 /nfs/dbraw/zinc/89/33/96/1194893396.db2.gz UPMRMAJFUSEKCS-KRWDZBQOSA-N 0 3 388.468 0.306 20 0 GCADHN CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000435187035 1194896192 /nfs/dbraw/zinc/89/61/92/1194896192.db2.gz HFDYOGXROBGQOF-CZUORRHYSA-N 0 3 380.489 0.570 20 0 GCADHN C[C@@H](NC(=O)Cc1ccc(-n2cnnc2)cc1)C(=O)NCCN1CCCCC1 ZINC000425298295 1194896238 /nfs/dbraw/zinc/89/62/38/1194896238.db2.gz WNBWHJHTSCNCSD-MRXNPFEDSA-N 0 3 384.484 0.917 20 0 GCADHN COC(=O)c1ccc(OCCNC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000514715392 1194896758 /nfs/dbraw/zinc/89/67/58/1194896758.db2.gz IQYTVYUMVDSLTD-MRXNPFEDSA-N 0 3 379.457 0.998 20 0 GCADHN C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000435214195 1194898694 /nfs/dbraw/zinc/89/86/94/1194898694.db2.gz RBZHHFSPWXJAIX-ORAYPTAESA-N 0 3 392.456 0.149 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000514728917 1194901076 /nfs/dbraw/zinc/90/10/76/1194901076.db2.gz DDVYKFOWELGRSR-INIZCTEOSA-N 0 3 376.505 0.753 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(CCN(C)C)C2CC2)c1 ZINC000505635651 1194903914 /nfs/dbraw/zinc/90/39/14/1194903914.db2.gz OSHWNOPSKUHCKS-UHFFFAOYSA-N 0 3 398.529 0.431 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2ccccc2NC(C)=O)CC1=O ZINC000425308545 1194904714 /nfs/dbraw/zinc/90/47/14/1194904714.db2.gz CGSZKJFWMZZWOQ-QGZVFWFLSA-N 0 3 390.484 0.483 20 0 GCADHN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[C@H](c1ccccc1)N(C)C ZINC000505634136 1194904827 /nfs/dbraw/zinc/90/48/27/1194904827.db2.gz RAJPMTYAPJUOCG-JKIFEVAISA-N 0 3 393.513 0.895 20 0 GCADHN C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[C@@H](c1ccccc1)N(C)C ZINC000505634138 1194904940 /nfs/dbraw/zinc/90/49/40/1194904940.db2.gz RAJPMTYAPJUOCG-KEYYUXOJSA-N 0 3 393.513 0.895 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)CC1=O ZINC000425312347 1194906325 /nfs/dbraw/zinc/90/63/25/1194906325.db2.gz GTHLEIZTXQKCKD-CZUORRHYSA-N 0 3 379.505 0.436 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)COc2cc(F)cc(F)c2)CC1=O ZINC000425313173 1194906928 /nfs/dbraw/zinc/90/69/28/1194906928.db2.gz HVFLZIDKWMZPLH-HNNXBMFYSA-N 0 3 385.411 0.639 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2ccc3c(c2)CCO3)CC1=O ZINC000425314343 1194907223 /nfs/dbraw/zinc/90/72/23/1194907223.db2.gz JEJUCQTYBHLQBQ-QGZVFWFLSA-N 0 3 375.469 0.459 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000514789282 1194909027 /nfs/dbraw/zinc/90/90/27/1194909027.db2.gz JNYNGPJMMYIWQC-LXZKKBNFSA-N 0 3 381.498 0.492 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc3nc(C)n(C)c3c2)CC1=O ZINC000425316218 1194909209 /nfs/dbraw/zinc/90/92/09/1194909209.db2.gz LCCFNPCVCQLZLV-MRXNPFEDSA-N 0 3 387.484 0.791 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3S2)CC1=O ZINC000425318369 1194910212 /nfs/dbraw/zinc/91/02/12/1194910212.db2.gz OMJXRYJFCPANAD-RDJZCZTQSA-N 0 3 377.510 0.999 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)c2ccc3c(c2)OCO3)CC1=O ZINC000425322416 1194913644 /nfs/dbraw/zinc/91/36/44/1194913644.db2.gz TWGIFYHPFNEDPW-GDBMZVCRSA-N 0 3 391.468 0.814 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccn(Cc3ccccc3)n2)CC1=O ZINC000425321828 1194914125 /nfs/dbraw/zinc/91/41/25/1194914125.db2.gz SMMABWIMUNZOTG-GOSISDBHSA-N 0 3 399.495 0.840 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN(C[C@H](C)O)C[C@H]2C)c(OC)c1 ZINC000283281624 1194914221 /nfs/dbraw/zinc/91/42/21/1194914221.db2.gz MDDOYESUOWWEGV-HLLBOEOZSA-N 0 3 396.484 0.608 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cn3cc(C)nc3s2)CC1=O ZINC000425321813 1194914239 /nfs/dbraw/zinc/91/42/39/1194914239.db2.gz SJIPZDZLMLGFNV-ZDUSSCGKSA-N 0 3 379.486 0.613 20 0 GCADHN COc1cc(OC)cc(C(=O)NCC(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000514796113 1194914578 /nfs/dbraw/zinc/91/45/78/1194914578.db2.gz CSDPQOMICFMWAF-LJQANCHMSA-N 0 3 377.441 0.007 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C(=O)OC)cc2F)CC1=O ZINC000425326120 1194916262 /nfs/dbraw/zinc/91/62/62/1194916262.db2.gz YAWNJFQROOQSSH-AWEZNQCLSA-N 0 3 395.431 0.521 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)CC1=O ZINC000425327211 1194916443 /nfs/dbraw/zinc/91/64/43/1194916443.db2.gz ZFZBVQAVIALPQM-MSOLQXFVSA-N 0 3 388.512 0.808 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(NC(C)C)nc2)CC1=O ZINC000425327622 1194916584 /nfs/dbraw/zinc/91/65/84/1194916584.db2.gz ZVZIRHOSZRUJJB-INIZCTEOSA-N 0 3 377.489 0.811 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(OC)c(OC)c2C)CC1=O ZINC000425327534 1194917184 /nfs/dbraw/zinc/91/71/84/1194917184.db2.gz ZUMDPUZAAXWWAC-OAHLLOKOSA-N 0 3 393.484 0.921 20 0 GCADHN COc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000283400725 1194919169 /nfs/dbraw/zinc/91/91/69/1194919169.db2.gz SIRTXXNJINMQEG-MRXNPFEDSA-N 0 3 388.468 0.076 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3cn(-c4cccc(Cl)c4F)nn3)CCN2C1=O ZINC000514873331 1194923900 /nfs/dbraw/zinc/92/39/00/1194923900.db2.gz NLCPYGQTVUMVQF-KOLCDFICSA-N 0 3 378.795 0.444 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1CCC(CO)CC1 ZINC000283514192 1194923938 /nfs/dbraw/zinc/92/39/38/1194923938.db2.gz KECPLTGKHNAXEZ-LJQANCHMSA-N 0 3 389.496 0.625 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2ccc3c(c2)COC3)CC1=O ZINC000514932800 1194930427 /nfs/dbraw/zinc/93/04/27/1194930427.db2.gz DPQZOCCSBQUTJG-GOSISDBHSA-N 0 3 375.469 0.555 20 0 GCADHN CC(=O)NCCN(C)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514936831 1194930433 /nfs/dbraw/zinc/93/04/33/1194930433.db2.gz SREBBIUOSXEDQC-UHFFFAOYSA-N 0 3 396.513 0.868 20 0 GCADHN CC(C)N1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1=O ZINC000425378204 1194931310 /nfs/dbraw/zinc/93/13/10/1194931310.db2.gz BSPJJAXOVZWHNZ-RBUKOAKNSA-N 0 3 398.507 0.799 20 0 GCADHN COC[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000425378190 1194931476 /nfs/dbraw/zinc/93/14/76/1194931476.db2.gz BRJLJFIBDHGXAB-IPMKNSEASA-N 0 3 387.480 0.593 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCC[C@H]2CCCCO2)CC1 ZINC000514965029 1194932010 /nfs/dbraw/zinc/93/20/10/1194932010.db2.gz FXSIXHUFWAWFJC-QGZVFWFLSA-N 0 3 394.516 0.219 20 0 GCADHN CN(CCOCCO)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425380385 1194932084 /nfs/dbraw/zinc/93/20/84/1194932084.db2.gz BTFQYAZMAMENGR-ZWKOTPCHSA-N 0 3 375.469 0.187 20 0 GCADHN CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)C2)n1 ZINC000425379292 1194933539 /nfs/dbraw/zinc/93/35/39/1194933539.db2.gz ALVAUAMCFVEINA-SOUVJXGZSA-N 0 3 390.488 0.394 20 0 GCADHN Cc1csc([C@@H]2COCCN2C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)n1 ZINC000425382131 1194933920 /nfs/dbraw/zinc/93/39/20/1194933920.db2.gz GLVJIQNECCBAJY-ZNMIVQPWSA-N 0 3 378.498 0.904 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(CC(F)(F)C(F)F)CC3)[C@@H]2C1 ZINC000425386274 1194935323 /nfs/dbraw/zinc/93/53/23/1194935323.db2.gz LVHVMHAEFAIUPW-QWHCGFSZSA-N 0 3 394.413 0.584 20 0 GCADHN CN(Cc1nccn1CC(F)(F)F)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425388373 1194937762 /nfs/dbraw/zinc/93/77/62/1194937762.db2.gz OISYJYMNLOOHFS-QWHCGFSZSA-N 0 3 387.406 0.956 20 0 GCADHN CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)n1 ZINC000425406377 1194961352 /nfs/dbraw/zinc/96/13/52/1194961352.db2.gz STPDUVZTZDBGIL-HZSPNIEDSA-N 0 3 379.461 0.678 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC(N3CN=NC3=O)CC2)c1 ZINC000515308105 1194965334 /nfs/dbraw/zinc/96/53/34/1194965334.db2.gz FEIDHGAMGQWXBW-UHFFFAOYSA-N 0 3 394.457 0.297 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000435801733 1194966012 /nfs/dbraw/zinc/96/60/12/1194966012.db2.gz UYZCJOFBEISEEM-MRXNPFEDSA-N 0 3 397.564 0.464 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1Cl ZINC000515312334 1194967794 /nfs/dbraw/zinc/96/77/94/1194967794.db2.gz KVQZVPYXGJRHTI-DOMZBBRYSA-N 0 3 392.887 0.504 20 0 GCADHN CC[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000515319158 1194968301 /nfs/dbraw/zinc/96/83/01/1194968301.db2.gz XEBHBRVPZWVKQP-XHSDSOJGSA-N 0 3 382.505 0.071 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)NCC(C)(C)N1CCCCC1)N1CCOCC1 ZINC000515374381 1194970022 /nfs/dbraw/zinc/97/00/22/1194970022.db2.gz PZDPTXGMXKNJGG-QGZVFWFLSA-N 0 3 382.549 0.840 20 0 GCADHN CS[C@@H]1CCCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000515465102 1194976561 /nfs/dbraw/zinc/97/65/61/1194976561.db2.gz SSXNMPXUXATIDM-MRXNPFEDSA-N 0 3 396.557 0.497 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)C(=O)NCCN2CCSCC2)N(C)C)cc1 ZINC000285148127 1194977071 /nfs/dbraw/zinc/97/70/71/1194977071.db2.gz OWVWUBWIDPSAMM-QGZVFWFLSA-N 0 3 378.542 0.879 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N[C@H](C)CCOC)CC1 ZINC000285196788 1194978259 /nfs/dbraw/zinc/97/82/59/1194978259.db2.gz ZGYAKIQHADLYCY-QGZVFWFLSA-N 0 3 390.528 0.982 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000515576114 1194985418 /nfs/dbraw/zinc/98/54/18/1194985418.db2.gz CLSBQISOTJUPCJ-IBGZPJMESA-N 0 3 386.456 0.492 20 0 GCADHN CCO[C@@H]1C[C@](CO)(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC000436131231 1194986624 /nfs/dbraw/zinc/98/66/24/1194986624.db2.gz YMLGCORXFALKBD-JXXFODFXSA-N 0 3 398.548 0.794 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000425472704 1194987929 /nfs/dbraw/zinc/98/79/29/1194987929.db2.gz IFTQMMMCRIEENF-RBUKOAKNSA-N 0 3 396.509 0.616 20 0 GCADHN Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)nc(C)n1 ZINC000515673320 1194990252 /nfs/dbraw/zinc/99/02/52/1194990252.db2.gz UXGQLEZIUOWBGM-HOTGVXAUSA-N 0 3 387.488 0.016 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCc3nc(C)nn3C2)o1 ZINC000286554945 1195006498 /nfs/dbraw/zinc/00/64/98/1195006498.db2.gz ZZWGECKOWDSSCC-HNNXBMFYSA-N 0 3 388.472 0.509 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OC(C)C)nc2)CC1 ZINC000515884866 1195006673 /nfs/dbraw/zinc/00/66/73/1195006673.db2.gz NXKOQPUYKGUAMW-OAHLLOKOSA-N 0 3 377.489 0.950 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000505825261 1195008764 /nfs/dbraw/zinc/00/87/64/1195008764.db2.gz LKAMVEIDWXZSQZ-HUUCEWRRSA-N 0 3 381.498 0.838 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N(C)C[C@H]3CCCC[C@@H]3O)C2)CC1 ZINC000516008599 1195015338 /nfs/dbraw/zinc/01/53/38/1195015338.db2.gz LBGGQMLCNVURDZ-QRVBRYPASA-N 0 3 394.560 0.623 20 0 GCADHN Cc1c([C@H]2CN(C(=O)Nc3ccnn3CCN(C)C)C[C@@H]2C(N)=O)cnn1C ZINC000623049779 1195016597 /nfs/dbraw/zinc/01/65/97/1195016597.db2.gz ZYYXURUHFOFVMJ-CABCVRRESA-N 0 3 388.476 0.219 20 0 GCADHN CC(=O)NCC[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000516065781 1195018963 /nfs/dbraw/zinc/01/89/63/1195018963.db2.gz SNIWDFPUHCPTLU-LPHOPBHVSA-N 0 3 386.496 0.836 20 0 GCADHN Cc1nnc([C@@H](C)NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)s1 ZINC000516114582 1195022458 /nfs/dbraw/zinc/02/24/58/1195022458.db2.gz LSTZTXVWZYGHMI-UKRRQHHQSA-N 0 3 394.545 0.651 20 0 GCADHN Cc1nnc([C@H](C)NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)s1 ZINC000516114580 1195023045 /nfs/dbraw/zinc/02/30/45/1195023045.db2.gz LSTZTXVWZYGHMI-DZGCQCFKSA-N 0 3 394.545 0.651 20 0 GCADHN CN(CCCN(C)C(=O)CSCC(=O)N1CCOCC1)Cc1ccncc1 ZINC000516109679 1195024207 /nfs/dbraw/zinc/02/42/07/1195024207.db2.gz PPPXZJAGXAFSKJ-UHFFFAOYSA-N 0 3 394.541 0.954 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)C2)nn1 ZINC000516180653 1195030193 /nfs/dbraw/zinc/03/01/93/1195030193.db2.gz BELOAGSREMLPBR-RDJZCZTQSA-N 0 3 398.467 0.911 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)C2)nn1 ZINC000516180654 1195030453 /nfs/dbraw/zinc/03/04/53/1195030453.db2.gz BELOAGSREMLPBR-WBVHZDCISA-N 0 3 398.467 0.911 20 0 GCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000516203997 1195031620 /nfs/dbraw/zinc/03/16/20/1195031620.db2.gz WZNCBQCAQNVCRF-QGZVFWFLSA-N 0 3 388.468 0.698 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)c1nnc2n1CCC2 ZINC000516189895 1195032342 /nfs/dbraw/zinc/03/23/42/1195032342.db2.gz WQIKNTWMBZWIRT-HOCLYGCPSA-N 0 3 384.484 0.691 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000505875106 1195032912 /nfs/dbraw/zinc/03/29/12/1195032912.db2.gz RTIBEJOJJXFTFS-RYUDHWBXSA-N 0 3 384.502 0.901 20 0 GCADHN CCS(=O)(=O)N1CCC(C(=O)Nc2cnccc2N2CCN(C)CC2)CC1 ZINC000516207720 1195033471 /nfs/dbraw/zinc/03/34/71/1195033471.db2.gz FLYQLEPVUDAXQN-UHFFFAOYSA-N 0 3 395.529 0.834 20 0 GCADHN CS(=O)(=O)[N-]c1cncc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000516267996 1195038964 /nfs/dbraw/zinc/03/89/64/1195038964.db2.gz UBIFYIGJLNZMKJ-UHFFFAOYSA-N 0 3 397.501 0.175 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(C(F)(F)F)nn2C)CC1 ZINC000664584854 1195039760 /nfs/dbraw/zinc/03/97/60/1195039760.db2.gz KJWDMILLOFLIBR-UHFFFAOYSA-N 0 3 390.410 0.521 20 0 GCADHN CN1CCN(CCCCNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000516383580 1195047255 /nfs/dbraw/zinc/04/72/55/1195047255.db2.gz CQKWRQSEUAPHBE-UHFFFAOYSA-N 0 3 379.505 0.385 20 0 GCADHN CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)c1 ZINC000288084837 1195048631 /nfs/dbraw/zinc/04/86/31/1195048631.db2.gz HLAGPNXSFKTHST-AWEZNQCLSA-N 0 3 378.473 0.939 20 0 GCADHN COc1ccc([C@@H](CO)N(C)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000516435483 1195053407 /nfs/dbraw/zinc/05/34/07/1195053407.db2.gz HAJGAZALDVIDAX-APWZRJJASA-N 0 3 395.525 0.741 20 0 GCADHN CCS(=O)(=O)CCNC(=O)[C@H]1CC12CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001270155253 1195057573 /nfs/dbraw/zinc/05/75/73/1195057573.db2.gz JBONPTUNJPJERX-CABCVRRESA-N 0 3 385.530 0.260 20 0 GCADHN CN1CCN(CCCCNC(=O)CNC(=O)NCc2ccc(F)cc2)CC1 ZINC000516487744 1195058119 /nfs/dbraw/zinc/05/81/19/1195058119.db2.gz JGFCFGHKYMHWII-UHFFFAOYSA-N 0 3 379.480 0.769 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)[C@@H](CC)CO1 ZINC000652733997 1195059980 /nfs/dbraw/zinc/05/99/80/1195059980.db2.gz WMHKDWMQLFAMTH-HRCADAONSA-N 0 3 378.477 0.316 20 0 GCADHN CCOC(=O)Cn1cnc(NC(=O)N(CCN(C)C)Cc2cccs2)n1 ZINC000425703648 1195062685 /nfs/dbraw/zinc/06/26/85/1195062685.db2.gz QWCHZOSMJQPANO-UHFFFAOYSA-N 0 3 380.474 1.498 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCNC(=O)CCCc3ccccc3)CCN2C1=O ZINC000516584867 1195071074 /nfs/dbraw/zinc/07/10/74/1195071074.db2.gz FBXPCTIBSWTNPA-IRXDYDNUSA-N 0 3 387.484 0.079 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000032663606 1195078139 /nfs/dbraw/zinc/07/81/39/1195078139.db2.gz HSCFMPIYCFDGAX-CQSZACIVSA-N 0 3 384.502 0.640 20 0 GCADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000288882190 1195078437 /nfs/dbraw/zinc/07/84/37/1195078437.db2.gz GDUQBOBWUQMVAU-UHFFFAOYSA-N 0 3 377.445 0.462 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000437244807 1195087486 /nfs/dbraw/zinc/08/74/86/1195087486.db2.gz NSIUANRZXJSXHU-GVDBMIGSSA-N 0 3 386.562 0.920 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000506034346 1195101368 /nfs/dbraw/zinc/10/13/68/1195101368.db2.gz BXLFUEOSCVDFIY-QGZVFWFLSA-N 0 3 382.530 0.452 20 0 GCADHN NC(=O)Cn1cc(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000425802859 1195106668 /nfs/dbraw/zinc/10/66/68/1195106668.db2.gz CTJQDCFNMLCPBI-DOTOQJQBSA-N 0 3 396.451 0.040 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1nc(Cc2ccccc2)no1 ZINC000516879027 1195108495 /nfs/dbraw/zinc/10/84/95/1195108495.db2.gz HFRVTINYPOKLBG-NWANDNLSSA-N 0 3 384.440 0.675 20 0 GCADHN CCCNC(=O)CN(C)C(=O)CN1CCC(CCCN2CCOCC2)CC1 ZINC000506048124 1195109658 /nfs/dbraw/zinc/10/96/58/1195109658.db2.gz VDALDRGQIITIKP-UHFFFAOYSA-N 0 3 382.549 0.795 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425805805 1195110053 /nfs/dbraw/zinc/11/00/53/1195110053.db2.gz CUGIQYCDHAWZCR-WMLDXEAASA-N 0 3 388.468 0.693 20 0 GCADHN CC(C)(C)NC(=O)CNC(=O)CN1CCC(CCCN2CCOCC2)CC1 ZINC000506050618 1195110670 /nfs/dbraw/zinc/11/06/70/1195110670.db2.gz DHPUVVSWIKSPMT-UHFFFAOYSA-N 0 3 382.549 0.842 20 0 GCADHN COC(=O)CC[C@@H](N)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000516924228 1195113202 /nfs/dbraw/zinc/11/32/02/1195113202.db2.gz IXKBGRHRGKLSPM-OAHLLOKOSA-N 0 3 383.470 0.236 20 0 GCADHN COC(=O)COc1cccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425816041 1195116751 /nfs/dbraw/zinc/11/67/51/1195116751.db2.gz UBIZTSDCVZBEQI-XJKSGUPXSA-N 0 3 375.425 0.730 20 0 GCADHN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425815521 1195116919 /nfs/dbraw/zinc/11/69/19/1195116919.db2.gz SEYMEXHIBHUPQU-WMLDXEAASA-N 0 3 388.468 0.645 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(S(C)(=O)=O)ccc3F)[C@@H]2C1 ZINC000425818961 1195119129 /nfs/dbraw/zinc/11/91/29/1195119129.db2.gz ZOUIAICKNSNTBQ-XHDPSFHLSA-N 0 3 383.445 0.720 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc(N4CCNC4=O)ccc3F)[C@@H]2C1 ZINC000425820055 1195120041 /nfs/dbraw/zinc/12/00/41/1195120041.db2.gz NEKAAPIHVUOPRI-BLLLJJGKSA-N 0 3 389.431 0.846 20 0 GCADHN Cc1ccc(OC[C@H](O)CNCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000516965646 1195120416 /nfs/dbraw/zinc/12/04/16/1195120416.db2.gz FYNBXINMOLOXCJ-AEFFLSMTSA-N 0 3 386.514 0.813 20 0 GCADHN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)[nH]n1 ZINC000516988806 1195121042 /nfs/dbraw/zinc/12/10/42/1195121042.db2.gz VLCSIWGYVANSRO-YJBOKZPZSA-N 0 3 390.532 0.392 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1-n1nnnc1C ZINC000425822410 1195121949 /nfs/dbraw/zinc/12/19/49/1195121949.db2.gz SXSJEOQAKOKVHO-XJKSGUPXSA-N 0 3 399.455 0.470 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000516997814 1195122444 /nfs/dbraw/zinc/12/24/44/1195122444.db2.gz IPHTWEJGJQDSJI-MRXNPFEDSA-N 0 3 396.373 0.868 20 0 GCADHN CCc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cnn1-c1ccc(OC)cc1 ZINC000516982180 1195122829 /nfs/dbraw/zinc/12/28/29/1195122829.db2.gz XBCCCTJEVJAVIE-RHSMWYFYSA-N 0 3 383.452 0.827 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C[C@@]2(CCOC2)O1 ZINC000517015866 1195123921 /nfs/dbraw/zinc/12/39/21/1195123921.db2.gz SFABFAUBFRURMF-FUHIMQAGSA-N 0 3 379.501 0.870 20 0 GCADHN CC1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c2)CC1 ZINC000517041525 1195128843 /nfs/dbraw/zinc/12/88/43/1195128843.db2.gz BDNIEUQTXXMDKN-MSOLQXFVSA-N 0 3 399.495 0.632 20 0 GCADHN CS(=O)(=O)CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000425847183 1195134463 /nfs/dbraw/zinc/13/44/63/1195134463.db2.gz RZFYVIRWZRZUDR-ZWKOTPCHSA-N 0 3 397.541 0.993 20 0 GCADHN COc1ccnc(CNC(=O)C(=O)NCCCN2CCc3ccccc3C2)n1 ZINC000425865340 1195141413 /nfs/dbraw/zinc/14/14/13/1195141413.db2.gz CYKMYGIMFZSNRP-UHFFFAOYSA-N 0 3 383.452 0.666 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CNCCO3)CC2)cc1 ZINC000517126566 1195141727 /nfs/dbraw/zinc/14/17/27/1195141727.db2.gz KXZBWCNPJFOLBT-MRXNPFEDSA-N 0 3 397.497 0.201 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC2)n1 ZINC000414911777 1195142815 /nfs/dbraw/zinc/14/28/15/1195142815.db2.gz TUHUZAPRMCXLTI-UHFFFAOYSA-N 0 3 386.481 0.991 20 0 GCADHN COc1ccnc(CNC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)n1 ZINC000425889278 1195149259 /nfs/dbraw/zinc/14/92/59/1195149259.db2.gz UYXHMVDDILHWKR-UHFFFAOYSA-N 0 3 379.461 0.107 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000517196258 1195149937 /nfs/dbraw/zinc/14/99/37/1195149937.db2.gz NOVLQODJSXSNFX-DOTOQJQBSA-N 0 3 390.484 0.333 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425888496 1195150072 /nfs/dbraw/zinc/15/00/72/1195150072.db2.gz SXTUZBIYSDGUER-OAHLLOKOSA-N 0 3 392.504 0.447 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000517196259 1195150213 /nfs/dbraw/zinc/15/02/13/1195150213.db2.gz NOVLQODJSXSNFX-NVXWUHKLSA-N 0 3 390.484 0.333 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cnn(-c2ccccn2)c1N ZINC000517184339 1195151090 /nfs/dbraw/zinc/15/10/90/1195151090.db2.gz GWGWVJAZPQVLOP-OAHLLOKOSA-N 0 3 385.472 0.522 20 0 GCADHN Cn1ccc(CCNC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000425885828 1195151742 /nfs/dbraw/zinc/15/17/42/1195151742.db2.gz HYORVHLDEITKKU-PKOBYXMFSA-N 0 3 381.480 0.812 20 0 GCADHN CN1CCC[C@@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1=O ZINC000425891733 1195154893 /nfs/dbraw/zinc/15/48/93/1195154893.db2.gz UGLIXNUMLOVFJV-RCCFBDPRSA-N 0 3 384.480 0.456 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000425899770 1195158123 /nfs/dbraw/zinc/15/81/23/1195158123.db2.gz CYBMXFYFTZVGSJ-OAHLLOKOSA-N 0 3 392.475 0.701 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000425901687 1195159058 /nfs/dbraw/zinc/15/90/58/1195159058.db2.gz HBDDADAERWYPCE-HNNXBMFYSA-N 0 3 392.475 0.701 20 0 GCADHN Cc1csc(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2)n1 ZINC000517247185 1195162994 /nfs/dbraw/zinc/16/29/94/1195162994.db2.gz OHYXXAFFYJNDMG-HUUCEWRRSA-N 0 3 399.476 0.827 20 0 GCADHN CCCn1c2ccccc2n(CCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1=O ZINC000517246933 1195163013 /nfs/dbraw/zinc/16/30/13/1195163013.db2.gz DJJAELITQWDVLU-CABCVRRESA-N 0 3 385.468 0.374 20 0 GCADHN CCCn1c2ccccc2n(CCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1=O ZINC000517246934 1195163050 /nfs/dbraw/zinc/16/30/50/1195163050.db2.gz DJJAELITQWDVLU-GJZGRUSLSA-N 0 3 385.468 0.374 20 0 GCADHN Cc1csc(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2)n1 ZINC000517247186 1195163086 /nfs/dbraw/zinc/16/30/86/1195163086.db2.gz OHYXXAFFYJNDMG-LSDHHAIUSA-N 0 3 399.476 0.827 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC3([S@](C)=O)CC3)CC2)C[C@H](C)O1 ZINC000517264126 1195163959 /nfs/dbraw/zinc/16/39/59/1195163959.db2.gz OIWVGJXAEUGDSH-WDYLCZHCSA-N 0 3 399.557 0.362 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC3([S@@](C)=O)CC3)CC2)C[C@@H](C)O1 ZINC000517264124 1195164037 /nfs/dbraw/zinc/16/40/37/1195164037.db2.gz OIWVGJXAEUGDSH-LGRMXARXSA-N 0 3 399.557 0.362 20 0 GCADHN CCN1CCN(CCC(=O)Nc2cccc(NC(=O)NCCC(N)=O)c2)CC1 ZINC000437854010 1195167860 /nfs/dbraw/zinc/16/78/60/1195167860.db2.gz PLLVRQNMROBPPP-UHFFFAOYSA-N 0 3 390.488 0.650 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)NCCc3nc(N)no3)cc2)CC1 ZINC000437918588 1195172227 /nfs/dbraw/zinc/17/22/27/1195172227.db2.gz JTQYVXJACKKESI-UHFFFAOYSA-N 0 3 387.488 0.831 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c[nH]nc2-c2cccnc2)CC1=O ZINC000517361631 1195173901 /nfs/dbraw/zinc/17/39/01/1195173901.db2.gz XKOZUOQRXCZTFF-HNNXBMFYSA-N 0 3 386.456 0.381 20 0 GCADHN COC(=O)[C@H](O)C1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000437998238 1195179978 /nfs/dbraw/zinc/17/99/78/1195179978.db2.gz VYSRBLGOANBJRA-QGZVFWFLSA-N 0 3 385.505 0.831 20 0 GCADHN CN1CCN([C@@H](C(=O)NCCCN2CCC[C@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407250 1195180097 /nfs/dbraw/zinc/18/00/97/1195180097.db2.gz SMZVJMAQSIXRTR-RBUKOAKNSA-N 0 3 387.528 0.431 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000517478871 1195185655 /nfs/dbraw/zinc/18/56/55/1195185655.db2.gz GPWDHTTXLBSLEH-MRXNPFEDSA-N 0 3 383.518 0.242 20 0 GCADHN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000517537558 1195189199 /nfs/dbraw/zinc/18/91/99/1195189199.db2.gz BKUOBNTUTGUMOE-CALCHBBNSA-N 0 3 388.578 0.595 20 0 GCADHN C[C@H](CNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)CN1CCN(C)CC1 ZINC000438168630 1195192106 /nfs/dbraw/zinc/19/21/06/1195192106.db2.gz UTYBUBGYXBGIPI-GFCCVEGCSA-N 0 3 387.481 0.478 20 0 GCADHN C[C@@H](CNC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)CN1CCN(C)CC1 ZINC000438168631 1195192344 /nfs/dbraw/zinc/19/23/44/1195192344.db2.gz UTYBUBGYXBGIPI-LBPRGKRZSA-N 0 3 387.481 0.478 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@]2(CCCOC2)O1 ZINC000517649037 1195204124 /nfs/dbraw/zinc/20/41/24/1195204124.db2.gz WRNIDUNZGKZKOU-FUHIMQAGSA-N 0 3 396.532 0.909 20 0 GCADHN COC(=O)CCCc1nnc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)s1 ZINC000438306354 1195205245 /nfs/dbraw/zinc/20/52/45/1195205245.db2.gz RNIFQHIMCUWBHS-ZDUSSCGKSA-N 0 3 398.533 1.039 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncnc2c1nnn2Cc1ccccc1 ZINC000894354661 1195212940 /nfs/dbraw/zinc/21/29/40/1195212940.db2.gz WVNGTVXAJZNNOG-AWEZNQCLSA-N 0 3 380.456 0.826 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cccc4ccccc43)CCN2C1=O ZINC000517759253 1195214723 /nfs/dbraw/zinc/21/47/23/1195214723.db2.gz RXRRNFGFDXQUQW-UDTPNQRGSA-N 0 3 392.459 0.582 20 0 GCADHN CNS(=O)(=O)c1cccc(C(=O)NCCCN2CCC(C(=O)OC)CC2)c1 ZINC000506258914 1195222921 /nfs/dbraw/zinc/22/29/21/1195222921.db2.gz KCFHTVCAFDVMFU-UHFFFAOYSA-N 0 3 397.497 0.600 20 0 GCADHN COc1cc(C(=O)NCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)ccc1OC(F)F ZINC000517960477 1195232670 /nfs/dbraw/zinc/23/26/70/1195232670.db2.gz OSXKWFKAMRDAFF-RYUDHWBXSA-N 0 3 387.383 0.160 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426113570 1195238656 /nfs/dbraw/zinc/23/86/56/1195238656.db2.gz NZCPZRUSGZDYBN-AAEUAGOBSA-N 0 3 378.395 0.066 20 0 GCADHN O=C(NCC(F)(F)F)[C@H]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000426162044 1195252364 /nfs/dbraw/zinc/25/23/64/1195252364.db2.gz OKSNTTNVLSNYJR-NSHDSACASA-N 0 3 376.379 0.851 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N(C)Cc3ccon3)cc21 ZINC000518152606 1195255133 /nfs/dbraw/zinc/25/51/33/1195255133.db2.gz QSDJOPDVWCHJQZ-UHFFFAOYSA-N 0 3 387.396 0.741 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)NCc2ccc(C(N)=O)nc2)Cc2ccccc2C1 ZINC000506392796 1195256252 /nfs/dbraw/zinc/25/62/52/1195256252.db2.gz CBVGJYXDMBTXJZ-UHFFFAOYSA-N 0 3 395.463 0.012 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000506396779 1195257603 /nfs/dbraw/zinc/25/76/03/1195257603.db2.gz OFYFQSZGWGHTJO-IAGOWNOFSA-N 0 3 386.496 0.233 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)Cc2ccccc2C1 ZINC000506408227 1195259750 /nfs/dbraw/zinc/25/97/50/1195259750.db2.gz VTWCKUGFGBAVBT-KRWDZBQOSA-N 0 3 398.507 0.519 20 0 GCADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@@H]1O ZINC000664729438 1195265090 /nfs/dbraw/zinc/26/50/90/1195265090.db2.gz JEUKZIRGVHBETQ-IKGGRYGDSA-N 0 3 396.438 0.772 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@H](CC(N)=O)C2)Cc2ccccc2C1 ZINC000506433386 1195267012 /nfs/dbraw/zinc/26/70/12/1195267012.db2.gz YONIATYQJRYYGA-OAHLLOKOSA-N 0 3 386.496 0.316 20 0 GCADHN COC(=O)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OC)c(OC)c1 ZINC000518218529 1195267088 /nfs/dbraw/zinc/26/70/88/1195267088.db2.gz NEXXXABFFAFOTM-RYUDHWBXSA-N 0 3 392.412 0.266 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CCN(CC3CC3)CC2)Cc2ccccc2C1 ZINC000506438392 1195269034 /nfs/dbraw/zinc/26/90/34/1195269034.db2.gz MAUMNICHOYAWII-UHFFFAOYSA-N 0 3 384.524 0.756 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CCN(CC(F)F)CC2)Cc2ccccc2C1 ZINC000506438682 1195269315 /nfs/dbraw/zinc/26/93/15/1195269315.db2.gz NFOPXMPXFHTSFI-UHFFFAOYSA-N 0 3 394.466 0.611 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)C[C@@](C)(O)C(F)(F)F)C2)OCC1=O ZINC001270414180 1195270331 /nfs/dbraw/zinc/27/03/31/1195270331.db2.gz KMMFJKGFKYBCPH-CABCVRRESA-N 0 3 381.395 0.081 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)C[C@](C)(O)C(F)(F)F)C[C@@]2(F)C1=O ZINC001270415060 1195271900 /nfs/dbraw/zinc/27/19/00/1195271900.db2.gz NXVDLIYDIKMWAD-BFHYXJOUSA-N 0 3 387.349 0.352 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@H](C)N(C)C)cccc1C(=O)N1CCOCC1 ZINC000506510441 1195294412 /nfs/dbraw/zinc/29/44/12/1195294412.db2.gz KHSHAESMFQBADW-ZDUSSCGKSA-N 0 3 376.457 0.472 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000439208192 1195294755 /nfs/dbraw/zinc/29/47/55/1195294755.db2.gz GAOYQNUERAKJME-UHFFFAOYSA-N 0 3 396.513 0.866 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)CCC(=O)NC)cc2)CC1 ZINC000439301789 1195304351 /nfs/dbraw/zinc/30/43/51/1195304351.db2.gz HTENEAVYZFOUDX-UHFFFAOYSA-N 0 3 389.500 0.357 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)n1nnc(-c2ccccc2)n1 ZINC000518564046 1195304404 /nfs/dbraw/zinc/30/44/04/1195304404.db2.gz FEEIXNBVSVIFQI-ARFHVFGLSA-N 0 3 383.456 0.308 20 0 GCADHN CN(C)CCN1CC[C@]2(CCCN(C(=O)[C@H]3CSCC(=O)N3)CC2)C1=O ZINC001270476047 1195309897 /nfs/dbraw/zinc/30/98/97/1195309897.db2.gz UPGIRDZIMKFNRZ-RDTXWAMCSA-N 0 3 382.530 0.011 20 0 GCADHN COCCN(CCO)C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000439354363 1195312378 /nfs/dbraw/zinc/31/23/78/1195312378.db2.gz HUDJFMZOQADBBW-UHFFFAOYSA-N 0 3 395.525 0.684 20 0 GCADHN Cc1nc(CN2CC3(CN(C(=O)[C@H](C)N4CCCC4)C3)OCC2=O)cs1 ZINC001270489319 1195318426 /nfs/dbraw/zinc/31/84/26/1195318426.db2.gz GBXGQQPDQODRKE-ZDUSSCGKSA-N 0 3 378.498 0.876 20 0 GCADHN C[C@@H](c1cccnc1)N1C(=O)C[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000518712850 1195321850 /nfs/dbraw/zinc/32/18/50/1195321850.db2.gz DNBBQVLTFZJAFF-WMZOPIPTSA-N 0 3 399.495 0.510 20 0 GCADHN CN(C)CCN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O ZINC000894382794 1195324434 /nfs/dbraw/zinc/32/44/34/1195324434.db2.gz QDSQNEIAEVVPLI-UHFFFAOYSA-N 0 3 380.514 0.681 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000439516980 1195327048 /nfs/dbraw/zinc/32/70/48/1195327048.db2.gz GMLDDFBEOGBENZ-UHFFFAOYSA-N 0 3 396.495 0.896 20 0 GCADHN O=C(NCCN1CCCOCC1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000297207588 1195331270 /nfs/dbraw/zinc/33/12/70/1195331270.db2.gz DVTARSYAPKZDHK-LJQANCHMSA-N 0 3 376.501 0.427 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000506626177 1195333733 /nfs/dbraw/zinc/33/37/33/1195333733.db2.gz RIZUALPMOZDJDH-QGZVFWFLSA-N 0 3 388.468 0.744 20 0 GCADHN Cc1cc(C)n(-c2ccc(CCNC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2)n1 ZINC000518797630 1195334249 /nfs/dbraw/zinc/33/42/49/1195334249.db2.gz BWZIMEYITNSFOG-RBUKOAKNSA-N 0 3 396.495 0.985 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1Cl ZINC000518797840 1195334958 /nfs/dbraw/zinc/33/49/58/1195334958.db2.gz SOSDTFNDGXFWEF-MAZHCROVSA-N 0 3 392.887 0.924 20 0 GCADHN CNS(=O)(=O)CCNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000439709314 1195342683 /nfs/dbraw/zinc/34/26/83/1195342683.db2.gz QIFUNJJYSGUWQZ-INIZCTEOSA-N 0 3 384.502 0.681 20 0 GCADHN COCC[C@@]1(NCC(=O)NCC2(N3CCOCC3)CCCCC2)CCOC1 ZINC000518895955 1195342934 /nfs/dbraw/zinc/34/29/34/1195342934.db2.gz KIUNVFYXYPYDQT-LJQANCHMSA-N 0 3 383.533 0.923 20 0 GCADHN COCC[C@]1(NCC(=O)NCC2(N3CCOCC3)CCCCC2)CCOC1 ZINC000518895954 1195343252 /nfs/dbraw/zinc/34/32/52/1195343252.db2.gz KIUNVFYXYPYDQT-IBGZPJMESA-N 0 3 383.533 0.923 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000439705188 1195343755 /nfs/dbraw/zinc/34/37/55/1195343755.db2.gz FGYBTOIUIOMLIH-KRWDZBQOSA-N 0 3 382.530 0.740 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCn4ncnc4C3)c(C)c2)CC1 ZINC000473606814 1195347166 /nfs/dbraw/zinc/34/71/66/1195347166.db2.gz NTGFZHPLUZUFNC-UHFFFAOYSA-N 0 3 397.483 0.709 20 0 GCADHN Cc1cccc(CN(C)C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000298015190 1195355234 /nfs/dbraw/zinc/35/52/34/1195355234.db2.gz WYHXACCFBTZVJM-GOSISDBHSA-N 0 3 386.496 0.718 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000519026001 1195361891 /nfs/dbraw/zinc/36/18/91/1195361891.db2.gz RXRMLYMNARJRIO-UHFFFAOYSA-N 0 3 388.468 0.907 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCn4ncnc4C3)cc2)CC1 ZINC000473608980 1195368503 /nfs/dbraw/zinc/36/85/03/1195368503.db2.gz FBMUHEACKOVJNI-UHFFFAOYSA-N 0 3 397.483 0.397 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1 ZINC000519162432 1195374990 /nfs/dbraw/zinc/37/49/90/1195374990.db2.gz LZJJZJKYIYUGTH-MCIONIFRSA-N 0 3 396.513 0.911 20 0 GCADHN C/C=C\C[C@@H](CO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000473610785 1195386951 /nfs/dbraw/zinc/38/69/51/1195386951.db2.gz MWGAHKDVCZPKOC-WSNITJDQSA-N 0 3 390.440 0.538 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000519288518 1195388979 /nfs/dbraw/zinc/38/89/79/1195388979.db2.gz BRRGMDOZPNYQQK-HUUCEWRRSA-N 0 3 398.573 0.993 20 0 GCADHN C[C@H]1Cc2cc(S(=O)(=O)N3CCN(C(=O)CN4CCCC4)CC3)ccc2O1 ZINC000519282891 1195389894 /nfs/dbraw/zinc/38/98/94/1195389894.db2.gz XIGURLWFQMEWIY-HNNXBMFYSA-N 0 3 393.509 0.939 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@@H]1CCOC1 ZINC000440174812 1195391095 /nfs/dbraw/zinc/39/10/95/1195391095.db2.gz KQYUYJNHPOKDIE-CHWSQXEVSA-N 0 3 390.440 0.636 20 0 GCADHN CCOC(=O)Cn1cc(CN[C@H]2CC(=O)N(C3CC3)C2)c(-c2cnn(C)c2)n1 ZINC000894396829 1195392412 /nfs/dbraw/zinc/39/24/12/1195392412.db2.gz MZPFZINKJPVFKG-HNNXBMFYSA-N 0 3 386.456 0.700 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000440239579 1195395861 /nfs/dbraw/zinc/39/58/61/1195395861.db2.gz DBWRVHVEOWNBFC-OALUTQOASA-N 0 3 382.549 0.835 20 0 GCADHN CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000440266876 1195398547 /nfs/dbraw/zinc/39/85/47/1195398547.db2.gz CZYCMVJXSNQQJC-UHFFFAOYSA-N 0 3 393.463 0.819 20 0 GCADHN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cn1 ZINC000440286990 1195402100 /nfs/dbraw/zinc/40/21/00/1195402100.db2.gz UBXYXVAKQFTMJA-OAHLLOKOSA-N 0 3 376.505 0.889 20 0 GCADHN Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c([O-])c1 ZINC000519401833 1195402221 /nfs/dbraw/zinc/40/22/21/1195402221.db2.gz JHOKZIPIVGTURW-AWEZNQCLSA-N 0 3 376.457 0.134 20 0 GCADHN C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000440297183 1195403413 /nfs/dbraw/zinc/40/34/13/1195403413.db2.gz QQSLYSNFGIXALI-CYBMUJFWSA-N 0 3 389.456 0.182 20 0 GCADHN COc1cccc([C@@H](CNC(=O)C(=O)N2CCN(C)CC[C@H]2C)N(C)C)c1 ZINC000550029558 1195408275 /nfs/dbraw/zinc/40/82/75/1195408275.db2.gz RFWMZZRDYVQELJ-CRAIPNDOSA-N 0 3 376.501 0.967 20 0 GCADHN Cc1noc(C)c1C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000506828878 1195412359 /nfs/dbraw/zinc/41/23/59/1195412359.db2.gz YXDPOJRNACHWCK-CJNGLKHVSA-N 0 3 380.489 0.908 20 0 GCADHN CN(CC(C)(C)O)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000440391045 1195417089 /nfs/dbraw/zinc/41/70/89/1195417089.db2.gz XUNZBNDGRGNORA-UHFFFAOYSA-N 0 3 390.484 0.552 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](c2nncn2C)C(C)C)CC1 ZINC000509612620 1195421251 /nfs/dbraw/zinc/42/12/51/1195421251.db2.gz ZKOBHWLKADKDDY-MRXNPFEDSA-N 0 3 379.509 0.708 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12)Cc1ccccc1 ZINC000550038108 1195422581 /nfs/dbraw/zinc/42/25/81/1195422581.db2.gz ZJOAUIPCUWRAQV-OKZBNKHCSA-N 0 3 386.496 0.545 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000110747680 1195430652 /nfs/dbraw/zinc/43/06/52/1195430652.db2.gz COSIZXQKEINURQ-UHFFFAOYSA-N 0 3 396.557 0.759 20 0 GCADHN C[C@H](CNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000119871960 1195431404 /nfs/dbraw/zinc/43/14/04/1195431404.db2.gz QQMQKCYYWJOPKK-APWZRJJASA-N 0 3 378.521 0.561 20 0 GCADHN C[C@H](CNC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000119871639 1195431414 /nfs/dbraw/zinc/43/14/14/1195431414.db2.gz QQMQKCYYWJOPKK-VQIMIIECSA-N 0 3 378.521 0.561 20 0 GCADHN COCC(=O)N1CCC(NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC1 ZINC000473681728 1195439861 /nfs/dbraw/zinc/43/98/61/1195439861.db2.gz XUCSNMRKGPRXAB-UHFFFAOYSA-N 0 3 383.537 0.339 20 0 GCADHN COc1cc(OC)cc(N2CC[C@@H](N(C)CCC(=O)N3CCNCC3)C2=O)c1 ZINC000262042692 1195441831 /nfs/dbraw/zinc/44/18/31/1195441831.db2.gz HTYXIPDIIDMRDO-GOSISDBHSA-N 0 3 390.484 0.563 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](O)C2)cc1)[C@@H]1CCCN(C)C1 ZINC000473694277 1195444515 /nfs/dbraw/zinc/44/45/15/1195444515.db2.gz WZNCXTZRDQFUMK-IAGOWNOFSA-N 0 3 388.468 0.385 20 0 GCADHN COc1ncc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1C(N)=O ZINC000473705163 1195446392 /nfs/dbraw/zinc/44/63/92/1195446392.db2.gz JGQONICHVKHPHL-UHFFFAOYSA-N 0 3 378.477 0.727 20 0 GCADHN NC(=O)CCN(C(=O)CN[C@H](C1CC1)[C@@]1(CO)CCCO1)c1ccc(F)cc1 ZINC000550141609 1195447527 /nfs/dbraw/zinc/44/75/27/1195447527.db2.gz ZGALWSITCDDIDA-UXHICEINSA-N 0 3 393.459 0.944 20 0 GCADHN CN1CCN(CCNC(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)CC1(C)C ZINC000894602948 1195450038 /nfs/dbraw/zinc/45/00/38/1195450038.db2.gz ZCRCKVAHQNTEIR-MRXNPFEDSA-N 0 3 386.562 0.621 20 0 GCADHN C[N@@H+]1C[C@H]2CCN(C(=O)NCC[N-]S(=O)(=O)c3ccc(F)cc3F)[C@@H]2C1 ZINC000894599496 1195450771 /nfs/dbraw/zinc/45/07/71/1195450771.db2.gz MUINSRWUXZKBOG-BXUZGUMPSA-N 0 3 388.440 0.589 20 0 GCADHN C[N@H+]1C[C@H]2CCN(C(=O)NCC[N-]S(=O)(=O)c3ccc(F)cc3F)[C@@H]2C1 ZINC000894599496 1195450774 /nfs/dbraw/zinc/45/07/74/1195450774.db2.gz MUINSRWUXZKBOG-BXUZGUMPSA-N 0 3 388.440 0.589 20 0 GCADHN C[C@@H]1Cc2cc(C(=O)NCCCN3CCN(C)CC3)ccc2N1S(C)(=O)=O ZINC000121135819 1195452130 /nfs/dbraw/zinc/45/21/30/1195452130.db2.gz WSEMAIKQWSIULA-OAHLLOKOSA-N 0 3 394.541 0.765 20 0 GCADHN CCNC(=O)[C@@H](NCC(=O)NCC1(N2CCOCC2)CCCCC1)C(C)C ZINC000550178980 1195454357 /nfs/dbraw/zinc/45/43/57/1195454357.db2.gz WXWNFQBFNKUKJU-SFHVURJKSA-N 0 3 382.549 0.888 20 0 GCADHN CN(Cc1ccccc1)C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000550215864 1195463552 /nfs/dbraw/zinc/46/35/52/1195463552.db2.gz JUSRKGQVMCIWQB-UHFFFAOYSA-N 0 3 376.501 0.151 20 0 GCADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cn2)C[C@H](C)O1 ZINC000519583271 1195478421 /nfs/dbraw/zinc/47/84/21/1195478421.db2.gz KHSOHVKYICUBEA-QSJFSLAZSA-N 0 3 387.484 0.796 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000415216996 1195481181 /nfs/dbraw/zinc/48/11/81/1195481181.db2.gz SYUWNILALUCJEM-DOMZBBRYSA-N 0 3 378.429 0.478 20 0 GCADHN CCc1nc(C)c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000426963897 1195495647 /nfs/dbraw/zinc/49/56/47/1195495647.db2.gz JIHPYGUXNXWBHG-CYBMUJFWSA-N 0 3 393.513 0.717 20 0 GCADHN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000519590392 1195498607 /nfs/dbraw/zinc/49/86/07/1195498607.db2.gz ATSWCAZQDMARDG-ISWURRPUSA-N 0 3 383.489 0.586 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)[C@H](C)[C@@H]1OC ZINC000519592858 1195501003 /nfs/dbraw/zinc/50/10/03/1195501003.db2.gz WDMXQWMYIMJNMP-FJIDUMEYSA-N 0 3 396.576 0.942 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000427096274 1195506324 /nfs/dbraw/zinc/50/63/24/1195506324.db2.gz FMTYGMHFNKTYKE-UHFFFAOYSA-N 0 3 376.457 0.474 20 0 GCADHN CCn1cc(-c2n[nH]cc2C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000427110076 1195508060 /nfs/dbraw/zinc/50/80/60/1195508060.db2.gz XUAIVXOPYCJXSW-INIZCTEOSA-N 0 3 387.488 0.966 20 0 GCADHN COc1ccc(CCNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1S(N)(=O)=O ZINC000507409598 1195517645 /nfs/dbraw/zinc/51/76/45/1195517645.db2.gz ROAPUXPSMFWIAZ-LSDHHAIUSA-N 0 3 396.513 0.621 20 0 GCADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)c1cnc(Cl)nc1)C2 ZINC001270773793 1195537614 /nfs/dbraw/zinc/53/76/14/1195537614.db2.gz GACMPDIAIAQYEB-KRWDZBQOSA-N 0 3 381.864 0.383 20 0 GCADHN CC[C@H](C)N[C@H](CNC(=O)N1CCN(S(=O)(=O)NC)CC1)c1ccco1 ZINC000664874675 1195538789 /nfs/dbraw/zinc/53/87/89/1195538789.db2.gz OHCUYWVOQSMXLN-UONOGXRCSA-N 0 3 387.506 0.500 20 0 GCADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)C1 ZINC000507629636 1195541580 /nfs/dbraw/zinc/54/15/80/1195541580.db2.gz KNGWCVBEVKFHCM-GDBMZVCRSA-N 0 3 391.497 0.650 20 0 GCADHN CCO[C@H](CNC(=O)[C@H]1CCCN1C1CC1)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000427465062 1195543102 /nfs/dbraw/zinc/54/31/02/1195543102.db2.gz GFOIDIVEEOWEOL-LDLYASANSA-N 0 3 392.544 0.878 20 0 GCADHN C[C@@H]1CSC[C@@H]1NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000507659037 1195544876 /nfs/dbraw/zinc/54/48/76/1195544876.db2.gz XHTLKBBCNKRFMF-YPMHNXCESA-N 0 3 392.481 0.962 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000507675601 1195546003 /nfs/dbraw/zinc/54/60/03/1195546003.db2.gz YQIPICBPVNLEFN-SJORKVTESA-N 0 3 395.548 0.877 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NCCc2ccccc2OC)CC1 ZINC000507698980 1195548294 /nfs/dbraw/zinc/54/82/94/1195548294.db2.gz HMHYIUMBXFAZQL-UHFFFAOYSA-N 0 3 390.528 0.840 20 0 GCADHN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H]2C1 ZINC000664914917 1195555062 /nfs/dbraw/zinc/55/50/62/1195555062.db2.gz IEFHLYHKKFFQQC-YESZJQIVSA-N 0 3 381.521 0.295 20 0 GCADHN CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@@H]3CNCCO3)cc(C3CC3)nc21 ZINC000519638854 1195560915 /nfs/dbraw/zinc/56/09/15/1195560915.db2.gz BHTFSZCJVQUGQJ-LBPRGKRZSA-N 0 3 387.440 0.503 20 0 GCADHN CSCC[C@H](C)N(C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000440617791 1195567899 /nfs/dbraw/zinc/56/78/99/1195567899.db2.gz XOPVDZWWGNFGBD-INIZCTEOSA-N 0 3 386.562 0.063 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000519774671 1195568867 /nfs/dbraw/zinc/56/88/67/1195568867.db2.gz YOKOWHRBNBHIMA-CQSZACIVSA-N 0 3 385.461 0.750 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCc3ccnc(OC4CCOCC4)c3)CCN2C1=O ZINC000519835922 1195575056 /nfs/dbraw/zinc/57/50/56/1195575056.db2.gz ZDQZHYNEMRXLDI-ZBFHGGJFSA-N 0 3 389.456 0.093 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 ZINC000415773507 1195578594 /nfs/dbraw/zinc/57/85/94/1195578594.db2.gz VZTKERANLVLIAS-RISCZKNCSA-N 0 3 377.445 0.526 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)[C@]3(F)CCCCC3(F)F)C2)OCC1=O ZINC001270816034 1195578907 /nfs/dbraw/zinc/57/89/07/1195578907.db2.gz AOHIRVZDZBDLCH-MRXNPFEDSA-N 0 3 377.407 0.905 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000507730046 1195586144 /nfs/dbraw/zinc/58/61/44/1195586144.db2.gz CJQLSGLFAGNTQG-UHFFFAOYSA-N 0 3 378.492 0.970 20 0 GCADHN CCOCCO[C@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000440850739 1195586304 /nfs/dbraw/zinc/58/63/04/1195586304.db2.gz UCDDOUUBQDKNSI-DLBZAZTESA-N 0 3 384.521 0.766 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ZINC000441401249 1195631887 /nfs/dbraw/zinc/63/18/87/1195631887.db2.gz FRLWEVTUGBZOON-FQEVSTJZSA-N 0 3 383.452 0.617 20 0 GCADHN CS(=O)(=O)N1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000046428577 1195634765 /nfs/dbraw/zinc/63/47/65/1195634765.db2.gz ZSMSJKKEVIECEG-UHFFFAOYSA-N 0 3 380.514 0.722 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2cccc(F)c2)CC1 ZINC000550334000 1195635425 /nfs/dbraw/zinc/63/54/25/1195635425.db2.gz JBOCGYKIOQDPTQ-UHFFFAOYSA-N 0 3 376.432 0.209 20 0 GCADHN Cc1cccc(CN2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)c1 ZINC000550346643 1195638159 /nfs/dbraw/zinc/63/81/59/1195638159.db2.gz LHWFNTWRFLGLGN-UHFFFAOYSA-N 0 3 385.516 0.571 20 0 GCADHN COc1cc(CNC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)ccn1 ZINC000550345526 1195639503 /nfs/dbraw/zinc/63/95/03/1195639503.db2.gz JFJLFKMHDDARNX-UHFFFAOYSA-N 0 3 378.473 0.712 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000550349857 1195640302 /nfs/dbraw/zinc/64/03/02/1195640302.db2.gz RKJIHZZOHHFXRZ-UHFFFAOYSA-N 0 3 390.550 0.155 20 0 GCADHN CN(C)CCN(C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)C1CCCC1 ZINC000112915851 1195645748 /nfs/dbraw/zinc/64/57/48/1195645748.db2.gz YTSROBAHHZSWBQ-UHFFFAOYSA-N 0 3 376.461 0.215 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21)N(C)C ZINC000550367677 1195646613 /nfs/dbraw/zinc/64/66/13/1195646613.db2.gz HQGMEFKEMVVSKU-BPQIPLTHSA-N 0 3 388.512 0.967 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000550386135 1195653774 /nfs/dbraw/zinc/65/37/74/1195653774.db2.gz BUHHMMAQZSBNKT-LSDHHAIUSA-N 0 3 392.891 0.957 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000520432201 1195655457 /nfs/dbraw/zinc/65/54/57/1195655457.db2.gz SPPAUSBTRMTSKO-UHFFFAOYSA-N 0 3 388.424 0.078 20 0 GCADHN Cc1nnc(CC(=O)N2CCC(C)CC2CNC(=O)C2CC3OC2C2CC23)[nH]1 ZINC000983793012 1195660283 /nfs/dbraw/zinc/66/02/83/1195660283.db2.gz ZKYOWPMODLCELW-LXCKONEBSA-N 0 3 387.484 0.822 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328688054 1195660935 /nfs/dbraw/zinc/66/09/35/1195660935.db2.gz ZNLXLVAHIQIUAD-OAHLLOKOSA-N 0 3 375.473 0.566 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000328688054 1195660937 /nfs/dbraw/zinc/66/09/37/1195660937.db2.gz ZNLXLVAHIQIUAD-OAHLLOKOSA-N 0 3 375.473 0.566 20 0 GCADHN Cn1nccc1[C@@H]1OCC[C@H]1CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000328897356 1195675429 /nfs/dbraw/zinc/67/54/29/1195675429.db2.gz CPLKVQHLPPCZCF-XYJFISCASA-N 0 3 398.529 0.624 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@@H](O)CN1CCC[C@@H]1CN1CCOCC1 ZINC000441429713 1195675834 /nfs/dbraw/zinc/67/58/34/1195675834.db2.gz OQZJFNBWDPXFHY-MSOLQXFVSA-N 0 3 388.468 0.661 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000520436030 1195675949 /nfs/dbraw/zinc/67/59/49/1195675949.db2.gz UFDKQIGQSDUIDW-MSOLQXFVSA-N 0 3 380.533 0.594 20 0 GCADHN CCCN(CC)CCn1c([C@H]2CCOC2)nnc1N1CCS(=O)(=O)CC1 ZINC001709718535 1195685953 /nfs/dbraw/zinc/68/59/53/1195685953.db2.gz ADORQESUMOEQQQ-HNNXBMFYSA-N 0 3 385.534 0.749 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000330653317 1195699245 /nfs/dbraw/zinc/69/92/45/1195699245.db2.gz MCSDSSSBYZWBJG-OAHLLOKOSA-N 0 3 398.573 0.947 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330619316 1195700714 /nfs/dbraw/zinc/70/07/14/1195700714.db2.gz IHMWOWIIUKWBGK-UHFFFAOYSA-N 0 3 389.518 0.144 20 0 GCADHN COCCN1CCC(NC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)CC1 ZINC000520442393 1195704965 /nfs/dbraw/zinc/70/49/65/1195704965.db2.gz CDFMUPLFFHRIDE-UHFFFAOYSA-N 0 3 375.429 0.975 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000330733010 1195707441 /nfs/dbraw/zinc/70/74/41/1195707441.db2.gz KFFMGSHIUSRUAQ-OAHLLOKOSA-N 0 3 382.530 0.693 20 0 GCADHN Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc(S(=O)(=O)N(C)C)c1C ZINC000330802434 1195708867 /nfs/dbraw/zinc/70/88/67/1195708867.db2.gz JKNYXMZRBVVOIF-INIZCTEOSA-N 0 3 383.514 0.956 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](CN(C)C)C2)cc1C ZINC000330841027 1195711073 /nfs/dbraw/zinc/71/10/73/1195711073.db2.gz XVAAKVAMLOLWJC-INIZCTEOSA-N 0 3 383.514 0.761 20 0 GCADHN CCN(C(=O)NCCNS(=O)(=O)N(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000665010993 1195711677 /nfs/dbraw/zinc/71/16/77/1195711677.db2.gz IGHSUZZSXDEKKL-QGZVFWFLSA-N 0 3 397.545 0.688 20 0 GCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000729493885 1195712060 /nfs/dbraw/zinc/71/20/60/1195712060.db2.gz BRGVUOKHMBEJKZ-IRXDYDNUSA-N 0 3 396.513 0.398 20 0 GCADHN CCOC(=O)[C@H]1CCCCN1C(=O)CN(C)C1CCN(S(C)(=O)=O)CC1 ZINC000330978067 1195716585 /nfs/dbraw/zinc/71/65/85/1195716585.db2.gz UKPMOOVYALIGNN-OAHLLOKOSA-N 0 3 389.518 0.286 20 0 GCADHN COC(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(F)c1 ZINC000331044765 1195717681 /nfs/dbraw/zinc/71/76/81/1195717681.db2.gz HATZHXHCPYLWFC-MRXNPFEDSA-N 0 3 377.416 0.991 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCNS(=O)(=O)N(C)C ZINC000665015301 1195719876 /nfs/dbraw/zinc/71/98/76/1195719876.db2.gz WYUABUNJNMATHV-MRXNPFEDSA-N 0 3 397.545 0.688 20 0 GCADHN C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CCN1Cc1ccccc1 ZINC000665015970 1195720435 /nfs/dbraw/zinc/72/04/35/1195720435.db2.gz LBIGTBSJONKHBN-MRXNPFEDSA-N 0 3 397.545 0.688 20 0 GCADHN C[C@H]1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CCN1Cc1ccccc1 ZINC000665015969 1195720446 /nfs/dbraw/zinc/72/04/46/1195720446.db2.gz LBIGTBSJONKHBN-INIZCTEOSA-N 0 3 397.545 0.688 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000520448365 1195730921 /nfs/dbraw/zinc/73/09/21/1195730921.db2.gz DGXNKMDABLHLNM-LRDDRELGSA-N 0 3 397.476 0.645 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccccc2Cn2cncn2)CC1 ZINC000608123689 1195732048 /nfs/dbraw/zinc/73/20/48/1195732048.db2.gz PWLPGUKAMXBHMS-SFHVURJKSA-N 0 3 382.468 0.881 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)NCC2(N3CCSCC3)CCCC2)nn1 ZINC000441445337 1195732777 /nfs/dbraw/zinc/73/27/77/1195732777.db2.gz GFRZDGRVUSWZKS-UHFFFAOYSA-N 0 3 396.517 0.612 20 0 GCADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NCCS(N)(=O)=O)CC2)cc1 ZINC000665033292 1195739710 /nfs/dbraw/zinc/73/97/10/1195739710.db2.gz XNONQFBBBDGQES-UHFFFAOYSA-N 0 3 397.501 0.197 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N(CCO)C1CCOCC1)Cc1ccccc1 ZINC000550410169 1195742040 /nfs/dbraw/zinc/74/20/40/1195742040.db2.gz NZSKFEFLDBUKLQ-SFHVURJKSA-N 0 3 377.485 0.275 20 0 GCADHN CCN1CCN(CCCNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000189023725 1195742215 /nfs/dbraw/zinc/74/22/15/1195742215.db2.gz AGTZYQOFVKXGFH-RTBURBONSA-N 0 3 392.544 0.571 20 0 GCADHN O=C(CCN1CCC(O)(C(F)(F)F)CC1)N1CCN(c2ncccn2)CC1 ZINC000128108479 1195744487 /nfs/dbraw/zinc/74/44/87/1195744487.db2.gz NXGPPFPHXCTFQT-UHFFFAOYSA-N 0 3 387.406 0.905 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000665049368 1195748202 /nfs/dbraw/zinc/74/82/02/1195748202.db2.gz SDXCHKCSPXDVDC-GDBMZVCRSA-N 0 3 380.493 0.302 20 0 GCADHN O=C(NCCN1CCN(c2ccccc2)CC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729496631 1195749654 /nfs/dbraw/zinc/74/96/54/1195749654.db2.gz JZEVJMRPUAPATJ-PMACEKPBSA-N 0 3 387.528 0.971 20 0 GCADHN Cc1cc(CN2CCN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)no1 ZINC000074655439 1195750299 /nfs/dbraw/zinc/75/02/99/1195750299.db2.gz NPKYLYGGZCQYQF-MRXNPFEDSA-N 0 3 378.521 0.694 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000729496471 1195750947 /nfs/dbraw/zinc/75/09/47/1195750947.db2.gz SDFMWSKTZFSOQX-SJORKVTESA-N 0 3 376.457 0.934 20 0 GCADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000550411666 1195752359 /nfs/dbraw/zinc/75/23/59/1195752359.db2.gz BFZOTPIOUPZXNP-BPQIPLTHSA-N 0 3 377.485 0.586 20 0 GCADHN CCNC(=O)C1(CNC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCC1 ZINC000550414066 1195755306 /nfs/dbraw/zinc/75/53/06/1195755306.db2.gz IEJQFCMCUAZRQE-QGZVFWFLSA-N 0 3 388.512 0.698 20 0 GCADHN CNC(=O)C[C@H](C)NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000459046477 1195760427 /nfs/dbraw/zinc/76/04/27/1195760427.db2.gz BKHCHTPXPODHGN-KRWDZBQOSA-N 0 3 375.517 0.970 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000131749498 1195762338 /nfs/dbraw/zinc/76/23/38/1195762338.db2.gz MZTCAZQKOYAMKA-GOSISDBHSA-N 0 3 394.541 0.675 20 0 GCADHN O=C(NCCNS(=O)(=O)Cc1ccccc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729501777 1195769961 /nfs/dbraw/zinc/76/99/61/1195769961.db2.gz OSSUAGUXEPGHCX-IRXDYDNUSA-N 0 3 396.513 0.268 20 0 GCADHN COc1cc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1OCCO ZINC000729504677 1195773930 /nfs/dbraw/zinc/77/39/30/1195773930.db2.gz JYFADAKNPKUYCT-HOTGVXAUSA-N 0 3 379.457 0.729 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C(=O)N1c1cnn(C)c1 ZINC000655625883 1195784066 /nfs/dbraw/zinc/78/40/66/1195784066.db2.gz MSIWHQLKYIQKQX-IIAWOOMASA-N 0 3 378.477 0.060 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)C1(C)C ZINC000520576420 1195791087 /nfs/dbraw/zinc/79/10/87/1195791087.db2.gz CEOWAYGSXLBHHG-QAPCUYQASA-N 0 3 399.513 0.534 20 0 GCADHN CN(CCCN(C)C(=O)c1ccnc(S(N)(=O)=O)c1)Cc1ccncc1 ZINC000520593083 1195794425 /nfs/dbraw/zinc/79/44/25/1195794425.db2.gz OKAWRACZFIEMNM-UHFFFAOYSA-N 0 3 377.470 0.718 20 0 GCADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000507782325 1195794481 /nfs/dbraw/zinc/79/44/81/1195794481.db2.gz FKGPISDIOOBHAK-UHFFFAOYSA-N 0 3 396.513 0.868 20 0 GCADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000441624826 1195799318 /nfs/dbraw/zinc/79/93/18/1195799318.db2.gz XFHZDDHBYDXGAK-ZDUSSCGKSA-N 0 3 381.444 0.217 20 0 GCADHN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NC(C)(C)CCN2CCN(C)CC2)O1 ZINC000473997609 1195801095 /nfs/dbraw/zinc/80/10/95/1195801095.db2.gz AIBXSLFZKUFTNU-JKSUJKDBSA-N 0 3 383.537 0.338 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000665147684 1195818947 /nfs/dbraw/zinc/81/89/47/1195818947.db2.gz TYOKNVCANPYQQJ-INIZCTEOSA-N 0 3 393.463 0.592 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cccc([S@](C)=O)c2)CC1 ZINC000441720285 1195824975 /nfs/dbraw/zinc/82/49/75/1195824975.db2.gz ZKTQPSFHKLTQNA-QZXCRCNTSA-N 0 3 394.541 0.752 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccc([S@](C)=O)c2)CC1 ZINC000441720286 1195825615 /nfs/dbraw/zinc/82/56/15/1195825615.db2.gz ZKTQPSFHKLTQNA-RXAIFQJESA-N 0 3 394.541 0.752 20 0 GCADHN CN(C)CCN(C)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000459144698 1195831020 /nfs/dbraw/zinc/83/10/20/1195831020.db2.gz GHPKNWVPHPHHAR-UHFFFAOYSA-N 0 3 398.485 0.034 20 0 GCADHN CCNS(=O)(=O)c1cccc(CNC(=O)N(CCOC)CCN(C)C)c1 ZINC000459172591 1195836784 /nfs/dbraw/zinc/83/67/84/1195836784.db2.gz NGULUBPQIFGXNS-UHFFFAOYSA-N 0 3 386.518 0.704 20 0 GCADHN COCCN1CC[C@H](NC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)C1 ZINC000520767120 1195850531 /nfs/dbraw/zinc/85/05/31/1195850531.db2.gz CTTMZZCXJNPUTC-INIZCTEOSA-N 0 3 383.514 0.809 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000186123432 1195859332 /nfs/dbraw/zinc/85/93/32/1195859332.db2.gz CGFMVANDNLCHSF-IAGOWNOFSA-N 0 3 377.537 0.714 20 0 GCADHN CCn1cc(-c2n[nH]cc2C(=O)NCCCCN2CCN(CCO)CC2)cn1 ZINC000427778885 1195877413 /nfs/dbraw/zinc/87/74/13/1195877413.db2.gz KFJGEISOTTYBPM-UHFFFAOYSA-N 0 3 389.504 0.413 20 0 GCADHN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000427850531 1195884819 /nfs/dbraw/zinc/88/48/19/1195884819.db2.gz JJWDWNMONUVVMC-CHWSQXEVSA-N 0 3 390.440 0.324 20 0 GCADHN CC[C@H](C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)N(C)C ZINC000508031835 1195886549 /nfs/dbraw/zinc/88/65/49/1195886549.db2.gz HZLNNSPGGNLQOW-SJORKVTESA-N 0 3 390.532 0.708 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000508033435 1195887379 /nfs/dbraw/zinc/88/73/79/1195887379.db2.gz SVYSAYFURMYJPE-QGZVFWFLSA-N 0 3 388.512 0.942 20 0 GCADHN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000427864022 1195889120 /nfs/dbraw/zinc/88/91/20/1195889120.db2.gz KWFMBAQPUYTJGX-KGLIPLIRSA-N 0 3 376.457 0.722 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCc2ccccc2NC1=O ZINC000665249752 1195897420 /nfs/dbraw/zinc/89/74/20/1195897420.db2.gz YMUPQHQTGDJUGK-MRXNPFEDSA-N 0 3 375.473 0.601 20 0 GCADHN Cc1nc(=O)[nH]c(C)c1CCC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000428033848 1195904700 /nfs/dbraw/zinc/90/47/00/1195904700.db2.gz NDNKTALASHIOQH-MRXNPFEDSA-N 0 3 377.489 0.791 20 0 GCADHN COCCO[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC000508194948 1195907023 /nfs/dbraw/zinc/90/70/23/1195907023.db2.gz ZKGZRZAZXSCTJV-HNNXBMFYSA-N 0 3 380.493 0.284 20 0 GCADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729529572 1195914362 /nfs/dbraw/zinc/91/43/62/1195914362.db2.gz WXNDKWBDEYRUOY-LSDHHAIUSA-N 0 3 387.484 0.790 20 0 GCADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729529569 1195914468 /nfs/dbraw/zinc/91/44/68/1195914468.db2.gz WXNDKWBDEYRUOY-CABCVRRESA-N 0 3 387.484 0.790 20 0 GCADHN CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000508329486 1195917829 /nfs/dbraw/zinc/91/78/29/1195917829.db2.gz BYYJCAQWHBFPGO-UHFFFAOYSA-N 0 3 382.530 0.741 20 0 GCADHN COc1cccc(C[C@H](NC(C)=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000508348926 1195919306 /nfs/dbraw/zinc/91/93/06/1195919306.db2.gz UEOXHTBBPBGWOT-IBGZPJMESA-N 0 3 390.528 0.885 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000441836545 1195923430 /nfs/dbraw/zinc/92/34/30/1195923430.db2.gz YYJYCAXMZUUUTM-UHFFFAOYSA-N 0 3 386.456 0.514 20 0 GCADHN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000262154424 1195929733 /nfs/dbraw/zinc/92/97/33/1195929733.db2.gz PLJNLPLNFWZNOX-KRWDZBQOSA-N 0 3 398.529 0.230 20 0 GCADHN COc1ccc(Cl)cc1C(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001271004656 1195932708 /nfs/dbraw/zinc/93/27/08/1195932708.db2.gz NAEQVXJACDTVJR-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NCCN1CCCCC1 ZINC000441937156 1195933322 /nfs/dbraw/zinc/93/33/22/1195933322.db2.gz ZNMBFSHYFIGDCB-UHFFFAOYSA-N 0 3 383.460 0.466 20 0 GCADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(CCN(C)C)CC(C)C ZINC000441966318 1195936538 /nfs/dbraw/zinc/93/65/38/1195936538.db2.gz NOLRFEMXBZWXTB-UHFFFAOYSA-N 0 3 399.503 0.911 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000442002114 1195938121 /nfs/dbraw/zinc/93/81/21/1195938121.db2.gz MBWBVXIDRNCJLN-UHFFFAOYSA-N 0 3 375.408 0.685 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](CC(N)=O)C1CCOCC1 ZINC000442129858 1195956784 /nfs/dbraw/zinc/95/67/84/1195956784.db2.gz FBMBRZPQMFCYLT-KRWDZBQOSA-N 0 3 390.484 0.782 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(CN4CCCC4=O)cc3)CCN2C1=O ZINC000521070915 1195959704 /nfs/dbraw/zinc/95/97/04/1195959704.db2.gz SCUQAVVFPLSOMX-IAGOWNOFSA-N 0 3 385.468 0.262 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442157876 1195960702 /nfs/dbraw/zinc/96/07/02/1195960702.db2.gz YNAYEMBHTXJPII-UHFFFAOYSA-N 0 3 376.457 0.836 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000521076674 1195961481 /nfs/dbraw/zinc/96/14/81/1195961481.db2.gz YSHAYESKJIBQGL-IRXDYDNUSA-N 0 3 383.470 0.182 20 0 GCADHN CC(=O)N[C@H](CCC(N)=O)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000521110579 1195964195 /nfs/dbraw/zinc/96/41/95/1195964195.db2.gz PCIWGZYXFITNIV-MOPGFXCFSA-N 0 3 388.512 0.956 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)nn1 ZINC000442241305 1195965125 /nfs/dbraw/zinc/96/51/25/1195965125.db2.gz KDYWXPQBUQHELF-UHFFFAOYSA-N 0 3 392.435 0.864 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N2CCN(CC3CCCCC3)CC2)nn1 ZINC000442247796 1195965413 /nfs/dbraw/zinc/96/54/13/1195965413.db2.gz FKKWUAUEVRPVFJ-UHFFFAOYSA-N 0 3 378.477 0.859 20 0 GCADHN COc1ccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1-n1nnnc1C ZINC000442332554 1195976717 /nfs/dbraw/zinc/97/67/17/1195976717.db2.gz JJSWHSOWJGZPHO-GFCCVEGCSA-N 0 3 399.455 0.684 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C1=CCN(C)CC1 ZINC000442333474 1195976853 /nfs/dbraw/zinc/97/68/53/1195976853.db2.gz CNJLCKDHXAYWDN-CYBMUJFWSA-N 0 3 394.497 0.441 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C1=CCN(C)CC1 ZINC000442333477 1195977229 /nfs/dbraw/zinc/97/72/29/1195977229.db2.gz CNJLCKDHXAYWDN-ZDUSSCGKSA-N 0 3 394.497 0.441 20 0 GCADHN C[C@@H]1[C@H](C(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@@H]3C[C@H]3C3CC3)n2)CC[N@@H+]1C ZINC000984139383 1195985057 /nfs/dbraw/zinc/98/50/57/1195985057.db2.gz LDEZUIFHYDMELB-BQDHKBFISA-N 0 3 387.484 0.801 20 0 GCADHN C[C@@H]1[C@H](C(=O)NCc2cc(=O)[n-]c(CNC(=O)[C@@H]3C[C@H]3C3CC3)n2)CC[N@H+]1C ZINC000984139383 1195985058 /nfs/dbraw/zinc/98/50/58/1195985058.db2.gz LDEZUIFHYDMELB-BQDHKBFISA-N 0 3 387.484 0.801 20 0 GCADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000521355849 1195989871 /nfs/dbraw/zinc/98/98/71/1195989871.db2.gz GQMSMQZAYYZHII-IBGZPJMESA-N 0 3 383.489 0.357 20 0 GCADHN CCCCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCOCC1 ZINC001271049840 1195993584 /nfs/dbraw/zinc/99/35/84/1195993584.db2.gz BCHHMIFWJRYUBG-OCABDXPQSA-N 0 3 379.501 0.581 20 0 GCADHN CN1CCN(CCNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CC1(C)C ZINC000442591206 1195994878 /nfs/dbraw/zinc/99/48/78/1195994878.db2.gz CFTGXXJOIYIAGE-OAHLLOKOSA-N 0 3 389.566 0.126 20 0 GCADHN C[NH+](C)CCOCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442584272 1195995142 /nfs/dbraw/zinc/99/51/42/1195995142.db2.gz NCZPBGJNEDCZCK-UHFFFAOYSA-N 0 3 394.444 0.121 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000521474447 1195998464 /nfs/dbraw/zinc/99/84/64/1195998464.db2.gz ZYGKDMOLPXZQKV-BRWVUGGUSA-N 0 3 378.517 0.836 20 0 GCADHN Cc1ccc([C@H](CNC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)N(C)C)cc1 ZINC000521486964 1195998785 /nfs/dbraw/zinc/99/87/85/1195998785.db2.gz LDBFITSMPIWZKA-KRWDZBQOSA-N 0 3 397.479 0.917 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000521505424 1195999299 /nfs/dbraw/zinc/99/92/99/1195999299.db2.gz OXOIQFHFQOAPJG-NVXWUHKLSA-N 0 3 388.468 0.835 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000521505425 1195999465 /nfs/dbraw/zinc/99/94/65/1195999465.db2.gz OXOIQFHFQOAPJG-RDJZCZTQSA-N 0 3 388.468 0.835 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC[C@H](O)CN2CCCC2=O)C1=O ZINC000442786465 1196003888 /nfs/dbraw/zinc/00/38/88/1196003888.db2.gz BOPJTTFKERRIAF-ZMSDIMECSA-N 0 3 397.516 0.527 20 0 GCADHN CN1CCN(CCCCNC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000521596279 1196006173 /nfs/dbraw/zinc/00/61/73/1196006173.db2.gz JSUNRCJKDCHJPX-SFHVURJKSA-N 0 3 394.564 0.993 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC3(CCOCC3)[C@@H]2C)CC1 ZINC000521596864 1196006354 /nfs/dbraw/zinc/00/63/54/1196006354.db2.gz LTWPSYSAQYRQBM-ROUUACIJSA-N 0 3 394.560 0.794 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000550463272 1196009126 /nfs/dbraw/zinc/00/91/26/1196009126.db2.gz JKYRXUJETDYWBO-QWHCGFSZSA-N 0 3 394.497 0.278 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000521705027 1196012248 /nfs/dbraw/zinc/01/22/48/1196012248.db2.gz OSLZIHOOODHJHN-ZIAGYGMSSA-N 0 3 396.513 0.912 20 0 GCADHN COC(=O)c1ccccc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000443086754 1196018657 /nfs/dbraw/zinc/01/86/57/1196018657.db2.gz NTFPFBXIKKAKJE-ZDUSSCGKSA-N 0 3 383.470 0.339 20 0 GCADHN COC(=O)c1ccccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000443086753 1196018676 /nfs/dbraw/zinc/01/86/76/1196018676.db2.gz NTFPFBXIKKAKJE-CYBMUJFWSA-N 0 3 383.470 0.339 20 0 GCADHN CCCN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)C(C)C)CC1=O ZINC001719895037 1196019354 /nfs/dbraw/zinc/01/93/54/1196019354.db2.gz HJKLNWPPYYORNN-HZMVEIRTSA-N 0 3 378.517 0.833 20 0 GCADHN CCN(C(=O)[C@@H](C)N1C[C@@H](c2ccccc2F)[C@H](N)C1)[C@H]1CCS(=O)(=O)C1 ZINC000521846409 1196019455 /nfs/dbraw/zinc/01/94/55/1196019455.db2.gz TXLSGBYJGFTQSD-YQYZPQCESA-N 0 3 397.516 0.976 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1(C)C ZINC000443108012 1196019846 /nfs/dbraw/zinc/01/98/46/1196019846.db2.gz HNJPTJOVICZFII-UHFFFAOYSA-N 0 3 376.457 0.539 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc([S@](C)=O)cc2)CC1(C)C ZINC000443116052 1196020882 /nfs/dbraw/zinc/02/08/82/1196020882.db2.gz AYZJOCHJBXFBBZ-SANMLTNESA-N 0 3 380.514 0.505 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000521901934 1196023873 /nfs/dbraw/zinc/02/38/73/1196023873.db2.gz CZQGKENPTXABPJ-HZPDHXFCSA-N 0 3 397.564 0.726 20 0 GCADHN NC(=O)CNC(=S)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000727082127 1196027554 /nfs/dbraw/zinc/02/75/54/1196027554.db2.gz LSPCPDGKSOJPJX-HNNXBMFYSA-N 0 3 376.530 0.275 20 0 GCADHN CN(C(=O)c1ccc(NCc2cn(C)c(=O)n(C)c2=O)cc1)[C@@H]1CCCN(C)C1 ZINC000367039783 1196029740 /nfs/dbraw/zinc/02/97/40/1196029740.db2.gz AGAVNVTUCJSFOV-GOSISDBHSA-N 0 3 399.495 0.862 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000443297950 1196035633 /nfs/dbraw/zinc/03/56/33/1196035633.db2.gz GNZLDOOUBRFDNL-HNNXBMFYSA-N 0 3 380.474 0.033 20 0 GCADHN COC(=O)c1ccc(CS(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000443289183 1196035972 /nfs/dbraw/zinc/03/59/72/1196035972.db2.gz YKSOFDKIAGRDIF-KRWDZBQOSA-N 0 3 384.498 0.985 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 ZINC000443290708 1196036239 /nfs/dbraw/zinc/03/62/39/1196036239.db2.gz PVIBQPWTLBMPMM-KRWDZBQOSA-N 0 3 395.525 0.950 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3nc4c(s3)CCCCC4)CCN2C1=O ZINC000522015211 1196036246 /nfs/dbraw/zinc/03/62/46/1196036246.db2.gz UAAJPLBFFPKWKC-WDEREUQCSA-N 0 3 377.470 0.121 20 0 GCADHN COc1ccc(CNC(C)=O)cc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000443295372 1196036844 /nfs/dbraw/zinc/03/68/44/1196036844.db2.gz AVDXKGVPUXRJJP-UHFFFAOYSA-N 0 3 399.513 0.314 20 0 GCADHN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N(C)CCN(C)C ZINC000443295742 1196036850 /nfs/dbraw/zinc/03/68/50/1196036850.db2.gz AXWLGEQSQDQHRF-UHFFFAOYSA-N 0 3 391.472 0.358 20 0 GCADHN COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000443297541 1196037267 /nfs/dbraw/zinc/03/72/67/1196037267.db2.gz NPUURKVZYKDQNE-AWEZNQCLSA-N 0 3 388.461 0.983 20 0 GCADHN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCN(C)C)c1 ZINC000443308105 1196038129 /nfs/dbraw/zinc/03/81/29/1196038129.db2.gz ZVEUMBDVOFCURJ-UHFFFAOYSA-N 0 3 384.502 0.690 20 0 GCADHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000443335597 1196040641 /nfs/dbraw/zinc/04/06/41/1196040641.db2.gz PTIFHTHSESPFGQ-JKIFEVAISA-N 0 3 383.514 0.474 20 0 GCADHN CS[C@@H]1CN(C(=O)c2nnn(Cc3noc(C)n3)c2C)C[C@H]1N1CCCC1 ZINC000522056232 1196040687 /nfs/dbraw/zinc/04/06/87/1196040687.db2.gz NVKZOSANCJCASI-ZIAGYGMSSA-N 0 3 391.501 0.978 20 0 GCADHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000443335599 1196040786 /nfs/dbraw/zinc/04/07/86/1196040786.db2.gz PTIFHTHSESPFGQ-KEYYUXOJSA-N 0 3 383.514 0.474 20 0 GCADHN CC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000550479315 1196051537 /nfs/dbraw/zinc/05/15/37/1196051537.db2.gz VWCHSMFZDCVCKS-UHFFFAOYSA-N 0 3 392.475 0.843 20 0 GCADHN CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522179902 1196053643 /nfs/dbraw/zinc/05/36/43/1196053643.db2.gz GSBRKUQCRXVEAL-IBGZPJMESA-N 0 3 387.528 0.964 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)CCN1CCCN1C(=O)CNC1=O ZINC001087654572 1196055905 /nfs/dbraw/zinc/05/59/05/1196055905.db2.gz JXDRVVXXYREMTK-ROYATCLZSA-N 0 3 392.500 0.857 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000522187956 1196057428 /nfs/dbraw/zinc/05/74/28/1196057428.db2.gz OXJVQBPHQCPWKD-HNNXBMFYSA-N 0 3 387.484 0.600 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CCN1CCN1C(=O)CNC1=O ZINC001087669243 1196057736 /nfs/dbraw/zinc/05/77/36/1196057736.db2.gz WUNAYYJMEIWZGV-APIJFGDWSA-N 0 3 388.472 0.045 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cn1C ZINC000443482030 1196059871 /nfs/dbraw/zinc/05/98/71/1196059871.db2.gz GXZGVHVVSQZWHT-WBVHZDCISA-N 0 3 399.513 0.858 20 0 GCADHN COCCn1cc(S(=O)(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000443495383 1196061804 /nfs/dbraw/zinc/06/18/04/1196061804.db2.gz XMPRUVQMQYXQKS-IRXDYDNUSA-N 0 3 386.518 0.576 20 0 GCADHN CC(C)[C@H](CNC(=O)N1CCN(Cc2ncc[nH]2)CC1)N1CCN(C)CC1 ZINC000522219943 1196062476 /nfs/dbraw/zinc/06/24/76/1196062476.db2.gz POCCTPTXJUQGOD-KRWDZBQOSA-N 0 3 377.537 0.509 20 0 GCADHN CC(C)CN(C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)C1CCN(C)CC1 ZINC000522266124 1196069544 /nfs/dbraw/zinc/06/95/44/1196069544.db2.gz YFRPSWXQHUZGAT-UHFFFAOYSA-N 0 3 389.500 0.768 20 0 GCADHN CC(C)(CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)[C@H]1COCC12OCCO2 ZINC000895308494 1196080702 /nfs/dbraw/zinc/08/07/02/1196080702.db2.gz KHDXYZITXXYLGZ-BRWVUGGUSA-N 0 3 397.516 0.643 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000248183218 1196084761 /nfs/dbraw/zinc/08/47/61/1196084761.db2.gz WUQUQBFFQWQAAQ-ZWKOTPCHSA-N 0 3 386.496 0.865 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)CN(C)S(=O)(=O)c2cccnc2)C[C@H](C)O1 ZINC000443676585 1196088441 /nfs/dbraw/zinc/08/84/41/1196088441.db2.gz UVPHGKXYMUTDHR-HOTGVXAUSA-N 0 3 398.529 0.708 20 0 GCADHN Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000114380581 1196097365 /nfs/dbraw/zinc/09/73/65/1196097365.db2.gz YVWJFTBSFYHBSD-UHFFFAOYSA-N 0 3 388.516 0.572 20 0 GCADHN COc1ccc([C@H](NC(C)C)C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000895484152 1196098524 /nfs/dbraw/zinc/09/85/24/1196098524.db2.gz YCJYRXXTJJHRHJ-IBGZPJMESA-N 0 3 376.501 0.967 20 0 GCADHN COc1ccc([C@@H](NC(C)C)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000895647590 1196105243 /nfs/dbraw/zinc/10/52/43/1196105243.db2.gz VIRKJAMGAMAVQC-QGZVFWFLSA-N 0 3 398.529 0.685 20 0 GCADHN COc1ccc([C@H](NC(C)C)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000895647589 1196105258 /nfs/dbraw/zinc/10/52/58/1196105258.db2.gz VIRKJAMGAMAVQC-KRWDZBQOSA-N 0 3 398.529 0.685 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000114602614 1196106341 /nfs/dbraw/zinc/10/63/41/1196106341.db2.gz WLKIIWNMOWFNIC-RBUKOAKNSA-N 0 3 376.501 0.334 20 0 GCADHN CN(C)S(=O)(=O)N[C@@H](CNC(=O)N(C)[C@H]1CCCN(C)C1)C1CCCC1 ZINC000895692663 1196107920 /nfs/dbraw/zinc/10/79/20/1196107920.db2.gz OHTNESIOZAIBHH-HOTGVXAUSA-N 0 3 389.566 0.677 20 0 GCADHN Cn1cc(CN2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c(=O)n(C)c1=O ZINC000895681266 1196108021 /nfs/dbraw/zinc/10/80/21/1196108021.db2.gz PVFFTXDNGZTNSV-NRFANRHFSA-N 0 3 398.463 0.088 20 0 GCADHN O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000895841783 1196113868 /nfs/dbraw/zinc/11/38/68/1196113868.db2.gz IBYFKRAXTVCUHC-INDMIFKZSA-N 0 3 392.544 0.870 20 0 GCADHN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)NCCN2CCC(O)CC2)C1 ZINC000895890052 1196116630 /nfs/dbraw/zinc/11/66/30/1196116630.db2.gz BUQZBMFEDHCNKZ-LJQANCHMSA-N 0 3 389.544 0.559 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)Nc1ccc2ccoc2c1 ZINC000443740346 1196121450 /nfs/dbraw/zinc/12/14/50/1196121450.db2.gz UMEFJKYNUVYMPS-UHFFFAOYSA-N 0 3 388.468 0.878 20 0 GCADHN CC(C)(C)N1CCC[C@@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000896010435 1196122022 /nfs/dbraw/zinc/12/20/22/1196122022.db2.gz PYTBYDCBSPPGLV-HOTGVXAUSA-N 0 3 378.517 0.964 20 0 GCADHN O=C(NC[C@H](n1cncn1)C(F)(F)F)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000896101758 1196125996 /nfs/dbraw/zinc/12/59/96/1196125996.db2.gz YJIDSPBXKNNMAU-AGIUHOORSA-N 0 3 376.383 0.622 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(C(=O)C3CN([C@H]4CCOC4)C3)CC2)CC1 ZINC000896273913 1196139902 /nfs/dbraw/zinc/13/99/02/1196139902.db2.gz LYVGGWGNUHKJSK-IBGZPJMESA-N 0 3 392.544 0.500 20 0 GCADHN O=C([C@@H]1C[C@H]1c1ccncc1)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001087971280 1196143811 /nfs/dbraw/zinc/14/38/11/1196143811.db2.gz PSGYRUKHZYIREP-YDZRNGNQSA-N 0 3 383.496 0.991 20 0 GCADHN COc1cc(CN[C@@H]2COCC[C@H]2O)ccc1OCC(=O)N1CCOCC1 ZINC000631258634 1196148002 /nfs/dbraw/zinc/14/80/02/1196148002.db2.gz VQXCRBLJRKVCJH-HZPDHXFCSA-N 0 3 380.441 0.172 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000041640772 1196152916 /nfs/dbraw/zinc/15/29/16/1196152916.db2.gz JKVUUMQUCWXUPU-MRXNPFEDSA-N 0 3 384.484 0.953 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C(=O)NC)ccc2C)CC1 ZINC000041640952 1196153049 /nfs/dbraw/zinc/15/30/49/1196153049.db2.gz QEGGRGDCBJGLKD-OAHLLOKOSA-N 0 3 389.500 0.435 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[C@H]3[C@@H]1CCCN3CCO)CCO2 ZINC000896537179 1196154312 /nfs/dbraw/zinc/15/43/12/1196154312.db2.gz KTUYEAJAVAQCQL-FWFFWDSWSA-N 0 3 395.500 0.728 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)[C@H](CCC(N)=O)NC(C)=O)c2)CC1 ZINC000474826976 1196155151 /nfs/dbraw/zinc/15/51/51/1196155151.db2.gz CXHQJMRETURZFB-KRWDZBQOSA-N 0 3 375.473 0.537 20 0 GCADHN CCN1C[C@H](C)N(CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000329011468 1196156175 /nfs/dbraw/zinc/15/61/75/1196156175.db2.gz DTOIBNFCDZRORK-OWCLPIDISA-N 0 3 397.545 0.904 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cc1C ZINC000329049329 1196159417 /nfs/dbraw/zinc/15/94/17/1196159417.db2.gz WAELMRALRFBTCL-ROUUACIJSA-N 0 3 395.525 0.903 20 0 GCADHN C[C@@H](NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1CN(C)CCN1C ZINC000896553167 1196162618 /nfs/dbraw/zinc/16/26/18/1196162618.db2.gz RVMHLTJBHDVLRO-WBVHZDCISA-N 0 3 397.564 0.726 20 0 GCADHN CS(=O)(=O)C1CCC(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000896562003 1196164719 /nfs/dbraw/zinc/16/47/19/1196164719.db2.gz RWXHVAAUHCNNON-GQGLESIBSA-N 0 3 387.546 0.830 20 0 GCADHN O=C(N1CCCC1)[C@]1(O)CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000329136834 1196167372 /nfs/dbraw/zinc/16/73/72/1196167372.db2.gz RECJGEUONRRIGQ-IBGZPJMESA-N 0 3 378.473 0.505 20 0 GCADHN O=C(CC(O)CC(=O)N1CCN2CCCC[C@@H]2C1)N1CCN2CCCC[C@@H]2C1 ZINC000329214855 1196177243 /nfs/dbraw/zinc/17/72/43/1196177243.db2.gz LULJQZXXMTZQPG-QZTJIDSGSA-N 0 3 392.544 0.521 20 0 GCADHN CS(=O)(=O)c1ccccc1CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000896649561 1196192049 /nfs/dbraw/zinc/19/20/49/1196192049.db2.gz FHKUWQGPOXXVDY-IRXDYDNUSA-N 0 3 395.525 0.873 20 0 GCADHN CCN1C[C@H](C)N(CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000329581851 1196206808 /nfs/dbraw/zinc/20/68/08/1196206808.db2.gz LIMSCOKIUSHBQW-HRCADAONSA-N 0 3 397.545 0.904 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)CN3CCN(C)C(=O)C3)CC2)C[C@@H](C)O1 ZINC000329601414 1196208605 /nfs/dbraw/zinc/20/86/05/1196208605.db2.gz KOVLWGSGXHVMBI-IAGOWNOFSA-N 0 3 380.533 0.498 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(CC(=O)N(C)C4CC4)C[C@H]3C2)O1 ZINC001088011637 1196217101 /nfs/dbraw/zinc/21/71/01/1196217101.db2.gz WSOUUAZTRUIYLA-XLMAVXFVSA-N 0 3 378.517 0.107 20 0 GCADHN CCN1CCN(CCNC(=O)[C@@H](C)CS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000522638320 1196226480 /nfs/dbraw/zinc/22/64/80/1196226480.db2.gz LSKVRSQTYOZRRQ-INIZCTEOSA-N 0 3 397.541 0.859 20 0 GCADHN COc1cccc(N2C[C@H](NC(=O)N3CCO[C@H](CN(C)C)C3)CC2=O)c1 ZINC000522664786 1196228011 /nfs/dbraw/zinc/22/80/11/1196228011.db2.gz CEZYOPKWOMLUOD-RHSMWYFYSA-N 0 3 376.457 0.773 20 0 GCADHN COCCOC1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000522664842 1196228042 /nfs/dbraw/zinc/22/80/42/1196228042.db2.gz FEWORDVKSXBGQB-QGZVFWFLSA-N 0 3 384.521 0.766 20 0 GCADHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)C2CN([C@@H]3CCOC3)C2)CC1 ZINC000896876910 1196230857 /nfs/dbraw/zinc/23/08/57/1196230857.db2.gz DKMGLBKRYUIFGW-QGZVFWFLSA-N 0 3 380.533 0.450 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000329968709 1196243245 /nfs/dbraw/zinc/24/32/45/1196243245.db2.gz WEATVQSBDRYDCY-OIISXLGYSA-N 0 3 377.485 0.873 20 0 GCADHN CO[C@@H](CNCC(=O)NCC(=O)N(C)Cc1ccccc1)C1CCOCC1 ZINC000896884907 1196244097 /nfs/dbraw/zinc/24/40/97/1196244097.db2.gz CMHAKVZAFPXAKS-SFHVURJKSA-N 0 3 377.485 0.792 20 0 GCADHN O=C([C@@H]1CCO[C@H]1C1CC1)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001088048218 1196244651 /nfs/dbraw/zinc/24/46/51/1196244651.db2.gz RSRCHLMMRQSMLI-XDNAFOTISA-N 0 3 376.501 0.607 20 0 GCADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000330030059 1196247271 /nfs/dbraw/zinc/24/72/71/1196247271.db2.gz QZUMYTYPTRRJPB-HNAYVOBHSA-N 0 3 392.500 0.893 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 ZINC000330132102 1196254911 /nfs/dbraw/zinc/25/49/11/1196254911.db2.gz FXROHJFKAYKRAM-GOSISDBHSA-N 0 3 392.525 0.528 20 0 GCADHN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN(C)C3(CO)CCOCC3)CC2)C1 ZINC000330148127 1196256120 /nfs/dbraw/zinc/25/61/20/1196256120.db2.gz JCSLTYXJGKXZTL-KRWDZBQOSA-N 0 3 395.544 0.957 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000330164581 1196257014 /nfs/dbraw/zinc/25/70/14/1196257014.db2.gz WCLRXNCYNADYDO-QWQRMKEZSA-N 0 3 380.514 0.205 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000330161576 1196257124 /nfs/dbraw/zinc/25/71/24/1196257124.db2.gz TVVUCNVRVVZQLT-HOTGVXAUSA-N 0 3 390.488 0.690 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000330164580 1196257192 /nfs/dbraw/zinc/25/71/92/1196257192.db2.gz WCLRXNCYNADYDO-LBTNJELSSA-N 0 3 380.514 0.205 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000330164579 1196257217 /nfs/dbraw/zinc/25/72/17/1196257217.db2.gz WCLRXNCYNADYDO-HBUWYVDXSA-N 0 3 380.514 0.205 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1(NC(=O)OC(C)(C)C)CC1 ZINC000896887063 1196258577 /nfs/dbraw/zinc/25/85/77/1196258577.db2.gz GTSHHQXFVODLPE-CYBMUJFWSA-N 0 3 383.493 0.805 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)C[C@@H]2C1 ZINC000330191974 1196258853 /nfs/dbraw/zinc/25/88/53/1196258853.db2.gz XMBFTKYNZCOQID-GASCZTMLSA-N 0 3 399.538 0.653 20 0 GCADHN CN(C(=O)[C@@H]1CCCN1C1CC1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000330239350 1196261070 /nfs/dbraw/zinc/26/10/70/1196261070.db2.gz VMWHLBHAVFTPJT-IBGZPJMESA-N 0 3 391.560 0.310 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000280893040 1196265928 /nfs/dbraw/zinc/26/59/28/1196265928.db2.gz MKEQHUUPDBTXOM-UZLBHIALSA-N 0 3 378.517 0.298 20 0 GCADHN CCN1CCN(CCNC(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1 ZINC000281047116 1196271435 /nfs/dbraw/zinc/27/14/35/1196271435.db2.gz XSDSQGBVCCPYOQ-LJQANCHMSA-N 0 3 390.484 0.951 20 0 GCADHN C[C@@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1=CCN(C)CC1 ZINC000281074090 1196275803 /nfs/dbraw/zinc/27/58/03/1196275803.db2.gz DNXQXQAIOZAORN-ACJLOTCBSA-N 0 3 378.473 0.369 20 0 GCADHN CNC(=O)[C@]1(C)CCN(CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000281080746 1196276227 /nfs/dbraw/zinc/27/62/27/1196276227.db2.gz LIUNJOGAMBZVGN-OAQYLSRUSA-N 0 3 388.512 0.797 20 0 GCADHN Cc1nnc(SCC(=O)N2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)s1 ZINC001271224090 1196278719 /nfs/dbraw/zinc/27/87/19/1196278719.db2.gz FPYIFVSJWMUPOS-INIZCTEOSA-N 0 3 399.542 0.330 20 0 GCADHN COCCN1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000281162916 1196282210 /nfs/dbraw/zinc/28/22/10/1196282210.db2.gz IGVFOIMJCRKCBY-UHFFFAOYSA-N 0 3 399.513 0.140 20 0 GCADHN COc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1OCCO ZINC000281487272 1196298204 /nfs/dbraw/zinc/29/82/04/1196298204.db2.gz HGCCNEIXDKJOLV-MRXNPFEDSA-N 0 3 393.484 0.739 20 0 GCADHN CN(C)CCN1CCC2(CCN(C(=S)NCCC[S@](C)=O)CC2)C1=O ZINC001279142234 1196301341 /nfs/dbraw/zinc/30/13/41/1196301341.db2.gz QWSGBYOBDRBJFD-VWLOTQADSA-N 0 3 388.603 0.506 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(C)CC[C@H]2C)c1 ZINC000522768335 1196307388 /nfs/dbraw/zinc/30/73/88/1196307388.db2.gz UHSGQSDFNVLOME-OAHLLOKOSA-N 0 3 398.529 0.847 20 0 GCADHN CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)N(C)C)cc1 ZINC000665536371 1196307439 /nfs/dbraw/zinc/30/74/39/1196307439.db2.gz PGVBRAJJUSAYQI-IAGOWNOFSA-N 0 3 382.530 0.883 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)C1CC1 ZINC000522770800 1196307791 /nfs/dbraw/zinc/30/77/91/1196307791.db2.gz PPERKILNAMQBQD-UHFFFAOYSA-N 0 3 380.470 0.276 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)C1CC1 ZINC000522774894 1196312721 /nfs/dbraw/zinc/31/27/21/1196312721.db2.gz POGRARCSIOXOTO-UHFFFAOYSA-N 0 3 398.460 0.515 20 0 GCADHN CN(C)CC1(NS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CCC1 ZINC000281609524 1196315113 /nfs/dbraw/zinc/31/51/13/1196315113.db2.gz SMFWNBRKEAJCIM-UHFFFAOYSA-N 0 3 381.498 0.922 20 0 GCADHN CN1CCN(CCCCNC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000522782213 1196315731 /nfs/dbraw/zinc/31/57/31/1196315731.db2.gz LGUZJEODGTXISV-UHFFFAOYSA-N 0 3 397.545 0.885 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](CO)CCOC)cc2)CC1 ZINC000281626487 1196316261 /nfs/dbraw/zinc/31/62/61/1196316261.db2.gz VICSZFUZVMNNNM-SFHVURJKSA-N 0 3 392.500 0.276 20 0 GCADHN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000281721186 1196325160 /nfs/dbraw/zinc/32/51/60/1196325160.db2.gz RYSMOSPPJAPNHN-QGZVFWFLSA-N 0 3 388.468 0.753 20 0 GCADHN CN1CCN(CCNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1(C)C ZINC000281749356 1196330026 /nfs/dbraw/zinc/33/00/26/1196330026.db2.gz KPOMNIHZMKXTSO-HOTGVXAUSA-N 0 3 375.473 0.099 20 0 GCADHN CN(CCc1ccccn1)C(=O)CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281810338 1196335134 /nfs/dbraw/zinc/33/51/34/1196335134.db2.gz LBUWQWMCPAHOPO-UHFFFAOYSA-N 0 3 390.532 0.408 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281829633 1196339089 /nfs/dbraw/zinc/33/90/89/1196339089.db2.gz FCYPBUOKBWBETH-UHFFFAOYSA-N 0 3 375.473 0.726 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3cn4ccnc4s3)C[C@@]2(F)C1=O ZINC001271373461 1196342162 /nfs/dbraw/zinc/34/21/62/1196342162.db2.gz SDSZPEBJLYYKNY-HZPDHXFCSA-N 0 3 383.424 0.672 20 0 GCADHN CN1CCN(CCNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1(C)C ZINC000281881731 1196343824 /nfs/dbraw/zinc/34/38/24/1196343824.db2.gz XJBXEHQFZMPXBT-QGZVFWFLSA-N 0 3 386.500 0.249 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1(C)C ZINC000444126691 1196347497 /nfs/dbraw/zinc/34/74/97/1196347497.db2.gz JGMLIKONAYFRKN-UAOJZALGSA-N 0 3 388.468 0.890 20 0 GCADHN Cc1cc(NC(=O)NCCCCN2CCN(CCO)CC2)ccc1C(N)=O ZINC000522841974 1196350920 /nfs/dbraw/zinc/35/09/20/1196350920.db2.gz ABNGAZLMZHNDAY-UHFFFAOYSA-N 0 3 377.489 0.606 20 0 GCADHN Cn1c2ccc(NC(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)cc2oc1=O ZINC000281980018 1196355219 /nfs/dbraw/zinc/35/52/19/1196355219.db2.gz MJKFRFVHWLMLHP-UHFFFAOYSA-N 0 3 389.456 0.212 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)Cc3ccc(Cl)nc3)C2)OCC1=O ZINC001271412728 1196356387 /nfs/dbraw/zinc/35/63/87/1196356387.db2.gz FNRXFVORPHBNHC-GOSISDBHSA-N 0 3 380.876 0.669 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1(C)C ZINC000444174618 1196357084 /nfs/dbraw/zinc/35/70/84/1196357084.db2.gz GOKBLHVXJVCKEF-CRAIPNDOSA-N 0 3 396.513 0.447 20 0 GCADHN O=C(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1Cc2ccccc2C1 ZINC000475060904 1196364914 /nfs/dbraw/zinc/36/49/14/1196364914.db2.gz DYACSOYQNURPEG-UHFFFAOYSA-N 0 3 399.495 0.478 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)N2CCC(C(F)(F)F)CC2)CC1 ZINC000444272601 1196370334 /nfs/dbraw/zinc/37/03/34/1196370334.db2.gz YBKXUDPBBCUMGO-CYBMUJFWSA-N 0 3 378.439 0.930 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)[C@H]3CCOC3)cc2)CC1 ZINC000522962014 1196370826 /nfs/dbraw/zinc/37/08/26/1196370826.db2.gz RVCPDKMARJKLSB-RBUKOAKNSA-N 0 3 376.501 0.631 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)CC[NH+]1CCCC1 ZINC000103118339 1196373521 /nfs/dbraw/zinc/37/35/21/1196373521.db2.gz KYPAXKPRQSZXSF-UHFFFAOYSA-N 0 3 377.489 0.402 20 0 GCADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150486 1196374241 /nfs/dbraw/zinc/37/42/41/1196374241.db2.gz GLHMYHUXINDPDK-MOPGFXCFSA-N 0 3 394.560 0.938 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000103311871 1196375114 /nfs/dbraw/zinc/37/51/14/1196375114.db2.gz PHQGAQKHNICMAQ-AWEZNQCLSA-N 0 3 391.438 0.573 20 0 GCADHN CCN1CCN(CCNC(=O)[C@@H](CCSC)NC(=O)c2ccco2)CC1 ZINC000042591342 1196375921 /nfs/dbraw/zinc/37/59/21/1196375921.db2.gz QZDCIFFVORVQGE-OAHLLOKOSA-N 0 3 382.530 0.885 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)CCNS(C)(=O)=O)CC2)c1 ZINC000042722363 1196376385 /nfs/dbraw/zinc/37/63/85/1196376385.db2.gz VBJZHWRBJACIOR-UHFFFAOYSA-N 0 3 396.557 0.953 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000103492322 1196376451 /nfs/dbraw/zinc/37/64/51/1196376451.db2.gz QZMRYLJDJVYXCD-SFHVURJKSA-N 0 3 388.512 0.592 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)NCCN3CCOCC3)cc2)CC1 ZINC000042950483 1196378344 /nfs/dbraw/zinc/37/83/44/1196378344.db2.gz IMULTQRTFKQESU-UHFFFAOYSA-N 0 3 389.544 0.956 20 0 GCADHN CCN(CCOCCNC(=O)[C@@H]1CCCCN1C)C(=O)[C@H]1CCCCN1C ZINC000665594325 1196384709 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ZINC000665885257 1196521537 /nfs/dbraw/zinc/52/15/37/1196521537.db2.gz ZSTUPHJDYXLLNQ-AWEZNQCLSA-N 0 3 383.452 0.763 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523529076 1196530730 /nfs/dbraw/zinc/53/07/30/1196530730.db2.gz AYQOHWRIIMHQCX-SJORKVTESA-N 0 3 395.529 0.325 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC2(CCN(C)C2=O)CC1 ZINC000445010036 1196537948 /nfs/dbraw/zinc/53/79/48/1196537948.db2.gz KNIIRCHICQXTJT-MRXNPFEDSA-N 0 3 393.532 0.583 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1F ZINC000445041203 1196538725 /nfs/dbraw/zinc/53/87/25/1196538725.db2.gz NKDNUIIVVMNNHJ-CYBMUJFWSA-N 0 3 388.461 0.983 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000523625332 1196539509 /nfs/dbraw/zinc/53/95/09/1196539509.db2.gz DEDAVBPLGPUXTJ-UONOGXRCSA-N 0 3 393.454 0.865 20 0 GCADHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)CN2CCCS2(=O)=O)C1 ZINC000523670305 1196541642 /nfs/dbraw/zinc/54/16/42/1196541642.db2.gz 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COCCc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000524121470 1196577443 /nfs/dbraw/zinc/57/74/43/1196577443.db2.gz YUAAHWXSOUKCIW-MRXNPFEDSA-N 0 3 383.514 0.741 20 0 GCADHN COc1cc(C)c(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1OC ZINC000524121076 1196577593 /nfs/dbraw/zinc/57/75/93/1196577593.db2.gz JBYDFTDAKCSANT-AWEZNQCLSA-N 0 3 399.513 0.878 20 0 GCADHN COC(=O)COc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000524151327 1196579857 /nfs/dbraw/zinc/57/98/57/1196579857.db2.gz YKIVCFRQBIGEOU-UHFFFAOYSA-N 0 3 389.452 0.619 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000445763041 1196590217 /nfs/dbraw/zinc/59/02/17/1196590217.db2.gz BZUYYIFGUXKORP-ZBFHGGJFSA-N 0 3 391.497 0.478 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000445763038 1196590398 /nfs/dbraw/zinc/59/03/98/1196590398.db2.gz BZUYYIFGUXKORP-GDBMZVCRSA-N 0 3 391.497 0.478 20 0 GCADHN COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000524410112 1196592773 /nfs/dbraw/zinc/59/27/73/1196592773.db2.gz OYDSZIIQBBIEIB-INIZCTEOSA-N 0 3 397.497 0.480 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000524419101 1196593655 /nfs/dbraw/zinc/59/36/55/1196593655.db2.gz VYZLEITUDQIDRU-MRXNPFEDSA-N 0 3 396.513 0.731 20 0 GCADHN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000445914055 1196600369 /nfs/dbraw/zinc/60/03/69/1196600369.db2.gz XTZZPZHKVQQDOM-AWEZNQCLSA-N 0 3 398.529 0.863 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000445915232 1196600754 /nfs/dbraw/zinc/60/07/54/1196600754.db2.gz BUTABXLCNIAKDQ-UHFFFAOYSA-N 0 3 376.457 0.554 20 0 GCADHN CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000897344900 1196606415 /nfs/dbraw/zinc/60/64/15/1196606415.db2.gz RGFIEUPHEJTOBA-KZNAEPCWSA-N 0 3 377.485 0.538 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1 ZINC000524588036 1196606879 /nfs/dbraw/zinc/60/68/79/1196606879.db2.gz CUVDIGXRVWBZLJ-KXBFYZLASA-N 0 3 389.456 0.261 20 0 GCADHN CC(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)N1CCN(C)CC1 ZINC000524744679 1196621000 /nfs/dbraw/zinc/62/10/00/1196621000.db2.gz VGMXOBGPXROLJZ-MRXNPFEDSA-N 0 3 385.534 0.267 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCNC(=O)C(C)(C)C ZINC000524759952 1196621644 /nfs/dbraw/zinc/62/16/44/1196621644.db2.gz ZBHNZYQTSSGKHX-UHFFFAOYSA-N 0 3 378.473 0.974 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000446256338 1196629359 /nfs/dbraw/zinc/62/93/59/1196629359.db2.gz APHHGLGMUKIIOU-IDHHARJASA-N 0 3 391.472 0.213 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000446287171 1196630475 /nfs/dbraw/zinc/63/04/75/1196630475.db2.gz HJXUEILAMLZTGS-DAYGRLMNSA-N 0 3 385.530 0.592 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446265264 1196630883 /nfs/dbraw/zinc/63/08/83/1196630883.db2.gz DCRMQZGBOAWJIP-QEEYODRMSA-N 0 3 399.499 0.544 20 0 GCADHN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446315451 1196632758 /nfs/dbraw/zinc/63/27/58/1196632758.db2.gz JVSHOXWDOYSLGX-IIDMSEBBSA-N 0 3 387.546 0.791 20 0 GCADHN COc1cc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)ccc1OCC(N)=O ZINC000446383154 1196639003 /nfs/dbraw/zinc/63/90/03/1196639003.db2.gz SJXUZRCKTKGXFP-QKMWGZLOSA-N 0 3 391.468 0.708 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000446375719 1196640309 /nfs/dbraw/zinc/64/03/09/1196640309.db2.gz AKJXXOLEMJKSBI-OHNRDTAOSA-N 0 3 377.489 0.420 20 0 GCADHN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@]3(N)[C@H]4CCCO[C@H]4C3(C)C)CCO2)n1 ZINC000446374417 1196640356 /nfs/dbraw/zinc/64/03/56/1196640356.db2.gz JVPATIYEPKUUEL-YIOZNXECSA-N 0 3 377.489 0.655 20 0 GCADHN CN(C)c1nccc(N2CCN(C(=O)[C@]3(N)[C@H]4CCCO[C@@H]4C3(C)C)CC2)n1 ZINC000446372891 1196640496 /nfs/dbraw/zinc/64/04/96/1196640496.db2.gz YGIHRRUKTLVRFW-DKICVRJWSA-N 0 3 388.516 0.724 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000446510169 1196646738 /nfs/dbraw/zinc/64/67/38/1196646738.db2.gz INBFCSRYOQTCJH-HNNXBMFYSA-N 0 3 397.497 0.003 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F)CN1CCN(C)CC1 ZINC000446536757 1196647658 /nfs/dbraw/zinc/64/76/58/1196647658.db2.gz CRJLGESBWSZHLU-NSHDSACASA-N 0 3 390.410 0.377 20 0 GCADHN CCCN(CCO)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000446534216 1196647924 /nfs/dbraw/zinc/64/79/24/1196647924.db2.gz YOFBXDUYOHSIKT-UHFFFAOYSA-N 0 3 390.484 0.553 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000525184358 1196654919 /nfs/dbraw/zinc/65/49/19/1196654919.db2.gz ZZSGBSWEFOKLJP-AWEZNQCLSA-N 0 3 396.513 0.569 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](O)COc2ccccc2)CC1 ZINC000525305533 1196666852 /nfs/dbraw/zinc/66/68/52/1196666852.db2.gz LFZTYUVNJWOIMD-ROUUACIJSA-N 0 3 378.517 0.999 20 0 GCADHN COCCN1CCC(NC(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC000525298616 1196669055 /nfs/dbraw/zinc/66/90/55/1196669055.db2.gz LODFCCQWNIOHEV-KRWDZBQOSA-N 0 3 380.493 0.416 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1)CN1CCN(C)CC1 ZINC000525319758 1196671381 /nfs/dbraw/zinc/67/13/81/1196671381.db2.gz MTGFRMWBAGLZHG-INIZCTEOSA-N 0 3 399.499 0.265 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 ZINC000168402075 1196677062 /nfs/dbraw/zinc/67/70/62/1196677062.db2.gz UVGKDEXWXLCWKM-SFHVURJKSA-N 0 3 396.557 0.791 20 0 GCADHN C[C@@H](O)C[C@H](C)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000525426698 1196680542 /nfs/dbraw/zinc/68/05/42/1196680542.db2.gz ZFMKFBITTWHVLN-QWHCGFSZSA-N 0 3 392.456 0.618 20 0 GCADHN CC(C)(C)NC(=O)NCCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]2C1 ZINC001271866582 1196682725 /nfs/dbraw/zinc/68/27/25/1196682725.db2.gz AMLGAORNOBOZEK-QSAAJNHFSA-N 0 3 390.528 0.898 20 0 GCADHN CSCCN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000447004481 1196687985 /nfs/dbraw/zinc/68/79/85/1196687985.db2.gz BEEMVIFHVABMES-UHFFFAOYSA-N 0 3 380.470 0.916 20 0 GCADHN COc1ccc(CN(C(=O)CNC[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000429696820 1196693244 /nfs/dbraw/zinc/69/32/44/1196693244.db2.gz JYFMEYYPSWMFIB-SJLPKXTDSA-N 0 3 396.509 0.980 20 0 GCADHN COc1ccc(C(=O)N2CCC(NC(=O)C[C@H]3CNCCO3)CC2)c(OC)c1 ZINC000429700813 1196693899 /nfs/dbraw/zinc/69/38/99/1196693899.db2.gz RZSPFAXJKLYYNV-INIZCTEOSA-N 0 3 391.468 0.803 20 0 GCADHN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000429701809 1196693976 /nfs/dbraw/zinc/69/39/76/1196693976.db2.gz VDZZQSZEWJUXPB-MRXNPFEDSA-N 0 3 388.534 0.018 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000509643070 1196694235 /nfs/dbraw/zinc/69/42/35/1196694235.db2.gz MCJSGSDXILYLHC-AWEZNQCLSA-N 0 3 382.427 0.199 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000447136017 1196695478 /nfs/dbraw/zinc/69/54/78/1196695478.db2.gz LBCFFINHKKNXML-UHFFFAOYSA-N 0 3 390.410 0.473 20 0 GCADHN COC(=O)CC1(NCCC(=O)Nc2ccc(C)cn2)CCS(=O)(=O)CC1 ZINC000447256494 1196703918 /nfs/dbraw/zinc/70/39/18/1196703918.db2.gz KYHWQWPJFDIMJI-UHFFFAOYSA-N 0 3 383.470 0.819 20 0 GCADHN C[C@@H]1CN(CC(C)(C)O)CCN1Cc1nnnn1CCOCC(F)(F)F ZINC000447270542 1196704489 /nfs/dbraw/zinc/70/44/89/1196704489.db2.gz IICDWDYYAXXVGS-GFCCVEGCSA-N 0 3 380.415 0.529 20 0 GCADHN CC1CCN(CCNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000525769312 1196708582 /nfs/dbraw/zinc/70/85/82/1196708582.db2.gz DVJUGOYSHKYHGZ-UHFFFAOYSA-N 0 3 399.517 0.564 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000525806904 1196711577 /nfs/dbraw/zinc/71/15/77/1196711577.db2.gz HJYQTRAZXXYGCR-HNNXBMFYSA-N 0 3 391.582 0.277 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000525892160 1196724011 /nfs/dbraw/zinc/72/40/11/1196724011.db2.gz HSNCRDQFFJPCNY-HNNXBMFYSA-N 0 3 396.495 0.942 20 0 GCADHN Cn1cc(C(=O)NCCCCN2CCN(CCO)CC2)c(-c2ccoc2)n1 ZINC000447555480 1196730948 /nfs/dbraw/zinc/73/09/48/1196730948.db2.gz BSAGQPDOIGEJQF-UHFFFAOYSA-N 0 3 375.473 0.800 20 0 GCADHN CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c2)[n-]1 ZINC000447682943 1196740072 /nfs/dbraw/zinc/74/00/72/1196740072.db2.gz LMCDUDBKDDRXRW-INIZCTEOSA-N 0 3 398.467 0.655 20 0 GCADHN CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c2)[n-]1 ZINC000447682943 1196740074 /nfs/dbraw/zinc/74/00/74/1196740074.db2.gz LMCDUDBKDDRXRW-INIZCTEOSA-N 0 3 398.467 0.655 20 0 GCADHN Cc1cc(O)cc(=O)n1CCC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000526115356 1196741979 /nfs/dbraw/zinc/74/19/79/1196741979.db2.gz PSFSICQBAGDKKK-KRWDZBQOSA-N 0 3 376.501 0.879 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cc3c(nc4ccccn4c3=O)n2C)CC1 ZINC000526131647 1196744311 /nfs/dbraw/zinc/74/43/11/1196744311.db2.gz JMPQEESAMHOAHL-OAHLLOKOSA-N 0 3 396.495 0.942 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cnn(-c3ccccn3)c2C)CC1 ZINC000526328195 1196745392 /nfs/dbraw/zinc/74/53/92/1196745392.db2.gz MFURVUXGRQJXML-HNNXBMFYSA-N 0 3 392.529 0.880 20 0 GCADHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN[C@@H](CO)[C@H]2CCCO2)CC1 ZINC000447910903 1196757005 /nfs/dbraw/zinc/75/70/05/1196757005.db2.gz GNVNPGVDTPBMGF-RBUKOAKNSA-N 0 3 389.496 0.845 20 0 GCADHN C[C@@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)C[C@@H](CO)O1 ZINC000527039088 1196757550 /nfs/dbraw/zinc/75/75/50/1196757550.db2.gz SBCCVGIZCOGQFG-BEFAXECRSA-N 0 3 377.485 0.935 20 0 GCADHN O=C(CN[C@@H](CO)[C@H]1CCCO1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000447920013 1196758566 /nfs/dbraw/zinc/75/85/66/1196758566.db2.gz WOKXTCQCRKTVSM-DLBZAZTESA-N 0 3 376.457 0.492 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN[C@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447901467 1196759797 /nfs/dbraw/zinc/75/97/97/1196759797.db2.gz BYFLXJKEYXJRHM-RTBURBONSA-N 0 3 377.485 0.469 20 0 GCADHN C[C@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC2(CCOCC2)O1 ZINC000447960977 1196763688 /nfs/dbraw/zinc/76/36/88/1196763688.db2.gz DVCBINANEMCYQF-IRXDYDNUSA-N 0 3 396.532 0.909 20 0 GCADHN CN1CCN(CCCCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000527138428 1196769319 /nfs/dbraw/zinc/76/93/19/1196769319.db2.gz HOFQYPAPYIAUTI-MOPGFXCFSA-N 0 3 392.544 0.571 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000448029150 1196769459 /nfs/dbraw/zinc/76/94/59/1196769459.db2.gz GDPSVFMGWZBKGS-KRWDZBQOSA-N 0 3 395.548 0.293 20 0 GCADHN CN1CCN(CCCCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000527138429 1196769524 /nfs/dbraw/zinc/76/95/24/1196769524.db2.gz HOFQYPAPYIAUTI-OALUTQOASA-N 0 3 392.544 0.571 20 0 GCADHN CNC(=O)CN(CCOC)CC1(c2ccccc2)CCN(CC(=O)NC)CC1 ZINC000428495403 1196770525 /nfs/dbraw/zinc/77/05/25/1196770525.db2.gz CVSYUOOLFWIQQW-UHFFFAOYSA-N 0 3 390.528 0.461 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000527214427 1196772940 /nfs/dbraw/zinc/77/29/40/1196772940.db2.gz YAIDKLJETXDTIV-LBPRGKRZSA-N 0 3 383.470 0.341 20 0 GCADHN C[C@H]1OCC[C@]12CN(C(=O)NCCCCN1CCN(CCO)CC1)C[C@@H](C)O2 ZINC000448147912 1196777839 /nfs/dbraw/zinc/77/78/39/1196777839.db2.gz ONXQJXUUDXYDNT-GGPKGHCWSA-N 0 3 398.548 0.354 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000527334355 1196780403 /nfs/dbraw/zinc/78/04/03/1196780403.db2.gz HNUZNHPGMRUOFA-UHFFFAOYSA-N 0 3 382.486 0.430 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000527352114 1196780425 /nfs/dbraw/zinc/78/04/25/1196780425.db2.gz QEVSWVJXEFWFNJ-UHFFFAOYSA-N 0 3 392.456 0.013 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000527438704 1196787513 /nfs/dbraw/zinc/78/75/13/1196787513.db2.gz CXWMFPMVBOKCRQ-ZIAGYGMSSA-N 0 3 376.457 0.856 20 0 GCADHN COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cn1 ZINC000448321442 1196792248 /nfs/dbraw/zinc/79/22/48/1196792248.db2.gz ZHADGHSVNZKDTJ-CZUORRHYSA-N 0 3 382.486 0.694 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@@H]3CCCO3)cn2)CC1 ZINC000448403694 1196798804 /nfs/dbraw/zinc/79/88/04/1196798804.db2.gz HZHAIXAGHBSNEN-HOTGVXAUSA-N 0 3 392.456 0.149 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(-c3nnc(C)n3C)c2)CC1 ZINC000448483563 1196805971 /nfs/dbraw/zinc/80/59/71/1196805971.db2.gz LWCRJWZGHBPWCB-UHFFFAOYSA-N 0 3 399.499 0.483 20 0 GCADHN COc1c(Cl)cccc1C(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001271955241 1196814812 /nfs/dbraw/zinc/81/48/12/1196814812.db2.gz VGIAYBCUYFRDMB-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN CS(=O)(=O)NC1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000729588596 1196825733 /nfs/dbraw/zinc/82/57/33/1196825733.db2.gz UDQALZSTRSIYFO-GJZGRUSLSA-N 0 3 388.534 0.401 20 0 GCADHN CC(=O)c1cn(CC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)nn1 ZINC000448917333 1196839570 /nfs/dbraw/zinc/83/95/70/1196839570.db2.gz ZRLRLWYYIKLKPZ-UHFFFAOYSA-N 0 3 384.484 0.757 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000528357518 1196852344 /nfs/dbraw/zinc/85/23/44/1196852344.db2.gz UGORWMSILCPAQQ-OAHLLOKOSA-N 0 3 388.468 0.714 20 0 GCADHN CN1CCN(Cc2cc(Cl)cc(CN3CCN(C)C[C@H]3CO)c2)[C@H](CO)C1 ZINC000639867161 1196858019 /nfs/dbraw/zinc/85/80/19/1196858019.db2.gz KQVWCPGLCCOMGH-PMACEKPBSA-N 0 3 396.963 0.557 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000118872303 1196867560 /nfs/dbraw/zinc/86/75/60/1196867560.db2.gz QBMUZAMMMOKVOV-QGZVFWFLSA-N 0 3 392.544 0.833 20 0 GCADHN Cc1nc(CC(=O)N2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)c(C)s1 ZINC001271996496 1196868598 /nfs/dbraw/zinc/86/85/98/1196868598.db2.gz WYTGTHSWWFVIFS-SFHVURJKSA-N 0 3 380.514 0.694 20 0 GCADHN Cc1nc(CC(=O)N2C[C@@]3(F)C(=O)N(CCN(C)C)C[C@@]3(F)C2)c(C)s1 ZINC001271996608 1196869503 /nfs/dbraw/zinc/86/95/03/1196869503.db2.gz ZMAXHWKHQOSWQL-IAGOWNOFSA-N 0 3 386.468 0.965 20 0 GCADHN C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000528602141 1196869532 /nfs/dbraw/zinc/86/95/32/1196869532.db2.gz FZHQYGUXAVFWFH-VDGAXYAQSA-N 0 3 391.512 0.056 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000528728027 1196882048 /nfs/dbraw/zinc/88/20/48/1196882048.db2.gz CZIQPDRZXAFUQE-UHFFFAOYSA-N 0 3 390.440 0.414 20 0 GCADHN CCN(C(=O)CN1CCC(C)(N2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000528731195 1196882676 /nfs/dbraw/zinc/88/26/76/1196882676.db2.gz RNLBXTGZKLTUHU-MRXNPFEDSA-N 0 3 387.546 0.209 20 0 GCADHN C[C@]1(CO)CN(C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C[C@@]1(C)CO ZINC000528750858 1196886849 /nfs/dbraw/zinc/88/68/49/1196886849.db2.gz HLZKDRCGLRGPTJ-YSGRDPCXSA-N 0 3 378.469 0.624 20 0 GCADHN COCCC(=O)N1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000475658004 1196886962 /nfs/dbraw/zinc/88/69/62/1196886962.db2.gz URXKYQADUQUBCW-GOSISDBHSA-N 0 3 376.501 0.586 20 0 GCADHN COCCC(=O)N1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000475658005 1196887217 /nfs/dbraw/zinc/88/72/17/1196887217.db2.gz URXKYQADUQUBCW-SFHVURJKSA-N 0 3 376.501 0.586 20 0 GCADHN CN1c2ccc(C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)cc2C(C)(C)S1(=O)=O ZINC000529385953 1196919513 /nfs/dbraw/zinc/91/95/13/1196919513.db2.gz FQPOFAZCTJQRRC-LSDHHAIUSA-N 0 3 393.509 0.982 20 0 GCADHN O=C(N[C@H]1CCCN(CCCO)C1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529440653 1196922129 /nfs/dbraw/zinc/92/21/29/1196922129.db2.gz CZNDEHWLYNCXPO-SFHVURJKSA-N 0 3 375.469 0.736 20 0 GCADHN CN(CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)C(=O)c1cccs1 ZINC000120880079 1196925752 /nfs/dbraw/zinc/92/57/52/1196925752.db2.gz BPBLSYFGBJLDED-CQSZACIVSA-N 0 3 378.498 0.761 20 0 GCADHN O=C(NCCc1ccc(OC(F)F)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000785412832 1196926187 /nfs/dbraw/zinc/92/61/87/1196926187.db2.gz VOSYHZHCDVPRLA-HOCLYGCPSA-N 0 3 397.422 0.926 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000665962359 1196929850 /nfs/dbraw/zinc/92/98/50/1196929850.db2.gz FQFUFVWXFLPVLQ-UHFFFAOYSA-N 0 3 378.412 0.285 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1 ZINC000760138097 1196942357 /nfs/dbraw/zinc/94/23/57/1196942357.db2.gz ATNRTQHIYUJDTH-HZPDHXFCSA-N 0 3 376.457 0.757 20 0 GCADHN Cc1c(C(=O)NC[C@H]2CCN2C2CCCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000530022649 1196957613 /nfs/dbraw/zinc/95/76/13/1196957613.db2.gz JAVCSQHBKCDOJR-CQSZACIVSA-N 0 3 385.468 0.687 20 0 GCADHN CS[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3nc(C)no3)c2)C[C@H]1N(C)C ZINC000530337844 1196979678 /nfs/dbraw/zinc/97/96/78/1196979678.db2.gz FMLPOUXJBIRAGI-ZIAGYGMSSA-N 0 3 377.470 0.706 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000451224872 1196981407 /nfs/dbraw/zinc/98/14/07/1196981407.db2.gz DHBWGKDYFBYCLL-HNNXBMFYSA-N 0 3 381.498 0.577 20 0 GCADHN CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451325729 1196988152 /nfs/dbraw/zinc/98/81/52/1196988152.db2.gz BNDQVZYUHWEVLP-AWEZNQCLSA-N 0 3 391.859 0.753 20 0 GCADHN COCCN(C(=O)CN[C@@H]1C[C@@H](OC(C)C)C1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000451493681 1196995293 /nfs/dbraw/zinc/99/52/93/1196995293.db2.gz JONHVEOYLLXODJ-BZUAXINKSA-N 0 3 390.546 0.830 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451491391 1196995446 /nfs/dbraw/zinc/99/54/46/1196995446.db2.gz BOCFZJMOBGMSKD-GTTSAUCSSA-N 0 3 385.486 0.930 20 0 GCADHN CO[C@@H]1C[C@H](NCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000451498763 1196995648 /nfs/dbraw/zinc/99/56/48/1196995648.db2.gz NECBZGGQRYBNLN-XUWVNRHRSA-N 0 3 388.530 0.584 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000470030252 1196998467 /nfs/dbraw/zinc/99/84/67/1196998467.db2.gz QPBWHYXFPOVTSX-LJQANCHMSA-N 0 3 378.517 0.982 20 0 GCADHN c1ccc(N2CCN(C[C@H]3CCCN(c4nccn5nnnc45)C3)CC2)nc1 ZINC000530663841 1197003835 /nfs/dbraw/zinc/00/38/35/1197003835.db2.gz DFLOZIVQSLALLC-MRXNPFEDSA-N 0 3 379.472 0.953 20 0 GCADHN O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCN(CCn2cncn2)CC1 ZINC000530675348 1197007542 /nfs/dbraw/zinc/00/75/42/1197007542.db2.gz PCJTYGOIKVCRTQ-IBGZPJMESA-N 0 3 383.500 0.730 20 0 GCADHN CN1CCN(C)[C@@H](CNC(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000530724170 1197012346 /nfs/dbraw/zinc/01/23/46/1197012346.db2.gz HXSNGPDZMPVFEH-SFHVURJKSA-N 0 3 381.565 0.814 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000122199940 1197014001 /nfs/dbraw/zinc/01/40/01/1197014001.db2.gz ITLHHFONQDMZHG-OAHLLOKOSA-N 0 3 387.440 0.902 20 0 GCADHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000451772533 1197014684 /nfs/dbraw/zinc/01/46/84/1197014684.db2.gz KEVSAXZOJAPGNZ-GLQYFDAESA-N 0 3 383.470 0.982 20 0 GCADHN C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000530819252 1197019110 /nfs/dbraw/zinc/01/91/10/1197019110.db2.gz ZCAQLGZATJMGJQ-AWEZNQCLSA-N 0 3 396.513 0.066 20 0 GCADHN C[C@H](NS(C)(=O)=O)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000530818551 1197019150 /nfs/dbraw/zinc/01/91/50/1197019150.db2.gz JROHMMLNFDAKBF-JSGCOSHPSA-N 0 3 382.486 0.260 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000122209748 1197019250 /nfs/dbraw/zinc/01/92/50/1197019250.db2.gz FSZAWUGFBKURSD-MSOLQXFVSA-N 0 3 387.528 0.820 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)N(C)C3CCOCC3)ccc2oc1=O ZINC000530843189 1197022387 /nfs/dbraw/zinc/02/23/87/1197022387.db2.gz UQGKKVXOQKEBPE-UHFFFAOYSA-N 0 3 390.440 0.732 20 0 GCADHN Cn1cc(C[C@H]2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cn1 ZINC000530866465 1197023228 /nfs/dbraw/zinc/02/32/28/1197023228.db2.gz FDFULOGMFCMIGG-MRXNPFEDSA-N 0 3 385.468 0.862 20 0 GCADHN CN(C)C(=O)N[C@@H]1CCCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000451985113 1197029392 /nfs/dbraw/zinc/02/93/92/1197029392.db2.gz DQQNKZYRJSQKOR-QGZVFWFLSA-N 0 3 388.516 0.856 20 0 GCADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@H]1CCO[C@@H](C)C1)C(=O)NCC(N)=O ZINC001168133973 1197029590 /nfs/dbraw/zinc/02/95/90/1197029590.db2.gz YEWJZNCMUAVGOT-VGWMRTNUSA-N 0 3 382.505 0.151 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CN1C1CC1 ZINC000531006450 1197036143 /nfs/dbraw/zinc/03/61/43/1197036143.db2.gz JKSWKFMPFNSVFC-LSDHHAIUSA-N 0 3 393.513 0.723 20 0 GCADHN C[C@@H](CNC(=O)N[C@@H]1CCN(c2ncccc2F)C1)CN1CCN(C)CC1 ZINC000122490964 1197038260 /nfs/dbraw/zinc/03/82/60/1197038260.db2.gz HQAZMLVCCBNIIH-JKSUJKDBSA-N 0 3 378.496 0.982 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C[C@H](C)O1 ZINC000531014045 1197039096 /nfs/dbraw/zinc/03/90/96/1197039096.db2.gz AXWTWLWWSCWDOU-OKILXGFUSA-N 0 3 386.518 0.884 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000531045207 1197041763 /nfs/dbraw/zinc/04/17/63/1197041763.db2.gz QOPOXCWCTUWPFV-CQSZACIVSA-N 0 3 376.457 0.598 20 0 GCADHN O=C(CN1CC[C@H](CCCO)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000452136344 1197042355 /nfs/dbraw/zinc/04/23/55/1197042355.db2.gz XYPVZWURANJGEJ-KRWDZBQOSA-N 0 3 395.525 0.614 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)Nc2ccc3c(c2)N(C)CCO3)CC1 ZINC000531080112 1197045121 /nfs/dbraw/zinc/04/51/21/1197045121.db2.gz DWTNJOKSMBGMHA-UHFFFAOYSA-N 0 3 389.500 0.598 20 0 GCADHN CCN(CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C1CCC1 ZINC000531101287 1197045758 /nfs/dbraw/zinc/04/57/58/1197045758.db2.gz HAZYEVSUYXOPRX-UHFFFAOYSA-N 0 3 384.502 0.999 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000531106481 1197046287 /nfs/dbraw/zinc/04/62/87/1197046287.db2.gz DCACCSNVZXGSHU-SFHVURJKSA-N 0 3 396.532 0.909 20 0 GCADHN COC(CNC(=O)[C@H]1CCN1C(C)(C)C)CNC(=O)[C@H]1CCN1C(C)(C)C ZINC000897366040 1197049953 /nfs/dbraw/zinc/04/99/53/1197049953.db2.gz HVRHYCLDEPSTDC-HZPDHXFCSA-N 0 3 382.549 0.979 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)NC[C@H]2CCCCN2CCO)[C@H]1c1ccccc1 ZINC000452377567 1197058122 /nfs/dbraw/zinc/05/81/22/1197058122.db2.gz MYXOXJZJMUSQJO-RLLQIKCJSA-N 0 3 389.496 0.938 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000531283391 1197062408 /nfs/dbraw/zinc/06/24/08/1197062408.db2.gz LLFXXPLFFHBOLO-CYBMUJFWSA-N 0 3 396.513 0.642 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CC[C@@H](C)C2)c2ccccc2O1 ZINC000531283579 1197062450 /nfs/dbraw/zinc/06/24/50/1197062450.db2.gz VEFNGWOKTJUWAX-CZUORRHYSA-N 0 3 375.425 0.412 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC000531319556 1197066300 /nfs/dbraw/zinc/06/63/00/1197066300.db2.gz FUMOGQYWZNPOGK-CYBMUJFWSA-N 0 3 387.440 0.135 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H](C)N2CCCC2)c1 ZINC000531397141 1197073236 /nfs/dbraw/zinc/07/32/36/1197073236.db2.gz NBQNYEPJQDNZCF-ZDUSSCGKSA-N 0 3 382.486 0.442 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)CC1 ZINC000531482241 1197077653 /nfs/dbraw/zinc/07/76/53/1197077653.db2.gz SAXVUDJHVLMZNU-SJORKVTESA-N 0 3 386.562 0.765 20 0 GCADHN CCOC(=O)C1(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCC1 ZINC000531483170 1197077950 /nfs/dbraw/zinc/07/79/50/1197077950.db2.gz XNNFPXQGJKHYPL-HNNXBMFYSA-N 0 3 382.505 0.962 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000531521635 1197080854 /nfs/dbraw/zinc/08/08/54/1197080854.db2.gz IOUSHUFTQJMCLQ-UHFFFAOYSA-N 0 3 387.440 0.373 20 0 GCADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000531556189 1197083391 /nfs/dbraw/zinc/08/33/91/1197083391.db2.gz MPXPWWJTJFYGTI-RYRKJORJSA-N 0 3 393.532 0.044 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000531567147 1197084641 /nfs/dbraw/zinc/08/46/41/1197084641.db2.gz BCRCIMXJBSWNFR-HCKVZZMMSA-N 0 3 383.518 0.303 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000531567150 1197084668 /nfs/dbraw/zinc/08/46/68/1197084668.db2.gz BCRCIMXJBSWNFR-NVBFEUDRSA-N 0 3 383.518 0.303 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000375489613 1197100235 /nfs/dbraw/zinc/10/02/35/1197100235.db2.gz CEJZBDOKVAFJBJ-GRYCIOLGSA-N 0 3 394.394 0.190 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)cc1F ZINC000531890726 1197102695 /nfs/dbraw/zinc/10/26/95/1197102695.db2.gz CPIRVRQHFUUISM-UHFFFAOYSA-N 0 3 394.447 0.695 20 0 GCADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)c2ccc3nnnn3c2)cc1 ZINC000532066935 1197109643 /nfs/dbraw/zinc/10/96/43/1197109643.db2.gz QIZVSRSZIOLUGQ-UHFFFAOYSA-N 0 3 393.451 0.880 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000532067980 1197109699 /nfs/dbraw/zinc/10/96/99/1197109699.db2.gz NBOYAERUFYFRGM-WMLDXEAASA-N 0 3 393.513 0.580 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000532077792 1197111885 /nfs/dbraw/zinc/11/18/85/1197111885.db2.gz HNZTXTSVKULZHG-IUODEOHRSA-N 0 3 399.538 0.982 20 0 GCADHN Cc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000532094671 1197112893 /nfs/dbraw/zinc/11/28/93/1197112893.db2.gz AJLPLRUYNBQARK-DLBZAZTESA-N 0 3 375.521 0.711 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000532196879 1197125234 /nfs/dbraw/zinc/12/52/34/1197125234.db2.gz VKVKZTMGZMWXAB-KZNAEPCWSA-N 0 3 398.573 0.982 20 0 GCADHN Cc1oc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc1S(N)(=O)=O ZINC000532288129 1197134247 /nfs/dbraw/zinc/13/42/47/1197134247.db2.gz AJWKNDWADOGIAP-UHFFFAOYSA-N 0 3 389.474 0.581 20 0 GCADHN CN1CCOc2ccc(NC(=O)C(=O)NC[C@H]3CCCN3CCCO)cc21 ZINC000453810896 1197134832 /nfs/dbraw/zinc/13/48/32/1197134832.db2.gz YKXOMKLJRMASES-OAHLLOKOSA-N 0 3 376.457 0.417 20 0 GCADHN CC1CCC(N2CCN(C(=O)CNS(=O)(=O)c3cn(C)cn3)CC2)CC1 ZINC000532299014 1197136822 /nfs/dbraw/zinc/13/68/22/1197136822.db2.gz SLDZEANRZYLWGQ-UHFFFAOYSA-N 0 3 383.518 0.421 20 0 GCADHN COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453802103 1197137396 /nfs/dbraw/zinc/13/73/96/1197137396.db2.gz BXMUPLIAHSQUIH-ZDUSSCGKSA-N 0 3 393.440 0.383 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c(F)c1 ZINC000453802620 1197138001 /nfs/dbraw/zinc/13/80/01/1197138001.db2.gz DGRBCNLYLIEAOZ-ZDUSSCGKSA-N 0 3 381.404 0.514 20 0 GCADHN Cn1ncc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c1-c1ccccc1 ZINC000453804479 1197138412 /nfs/dbraw/zinc/13/84/12/1197138412.db2.gz HRXRMJWVOMTILT-INIZCTEOSA-N 0 3 385.468 0.989 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)nn1-c1ccc(C)cc1 ZINC000453805894 1197138890 /nfs/dbraw/zinc/13/88/90/1197138890.db2.gz MLOIKCQTBGWAEV-GOSISDBHSA-N 0 3 399.495 1.391 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c(OC)c1 ZINC000453808136 1197139524 /nfs/dbraw/zinc/13/95/24/1197139524.db2.gz QMSDCTTZRZGDIM-CQSZACIVSA-N 0 3 393.440 0.383 20 0 GCADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453809230 1197139734 /nfs/dbraw/zinc/13/97/34/1197139734.db2.gz UKBWRHNTCSMHRV-CQSZACIVSA-N 0 3 377.441 0.683 20 0 GCADHN COC(=O)c1scc(C)c1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453808736 1197139799 /nfs/dbraw/zinc/13/97/99/1197139799.db2.gz SOTJFUMSHOFJMQ-GFCCVEGCSA-N 0 3 383.470 0.745 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cc1OC ZINC000453810128 1197139883 /nfs/dbraw/zinc/13/98/83/1197139883.db2.gz WTXIAZPCUUFWRU-CQSZACIVSA-N 0 3 393.440 0.383 20 0 GCADHN CCOc1cc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)ccc1OC ZINC000453810105 1197140151 /nfs/dbraw/zinc/14/01/51/1197140151.db2.gz WLPXTFYRINWYTP-OAHLLOKOSA-N 0 3 379.457 0.995 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000453810076 1197140263 /nfs/dbraw/zinc/14/02/63/1197140263.db2.gz WFPKXPRYTWPJTF-HNNXBMFYSA-N 0 3 389.431 0.913 20 0 GCADHN COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453914542 1197151603 /nfs/dbraw/zinc/15/16/03/1197151603.db2.gz IKIPHSOZFAUMTD-SUMWQHHRSA-N 0 3 386.452 0.323 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453915164 1197152114 /nfs/dbraw/zinc/15/21/14/1197152114.db2.gz JCNNBNYVWLWYMT-GXTWGEPZSA-N 0 3 380.470 0.038 20 0 GCADHN CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)N3CCN(CCO)CC3)c2C1 ZINC000170237860 1197153425 /nfs/dbraw/zinc/15/34/25/1197153425.db2.gz MWNOLJMZPDBELD-UHFFFAOYSA-N 0 3 379.461 0.453 20 0 GCADHN Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1 ZINC000453917167 1197155748 /nfs/dbraw/zinc/15/57/48/1197155748.db2.gz BRMGAJHJSPZMRB-ZBFHGGJFSA-N 0 3 381.436 0.752 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)CC1 ZINC000360093424 1197156238 /nfs/dbraw/zinc/15/62/38/1197156238.db2.gz RHWRRPZIJMJKRA-AWEZNQCLSA-N 0 3 388.534 0.148 20 0 GCADHN CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000194240381 1197156626 /nfs/dbraw/zinc/15/66/26/1197156626.db2.gz QHBBCJOBRZUYCU-KRWDZBQOSA-N 0 3 380.514 0.938 20 0 GCADHN CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000194240364 1197156861 /nfs/dbraw/zinc/15/68/61/1197156861.db2.gz QHBBCJOBRZUYCU-QGZVFWFLSA-N 0 3 380.514 0.938 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2nnc3n2CCCCC3)CC1 ZINC000171564521 1197157874 /nfs/dbraw/zinc/15/78/74/1197157874.db2.gz UBKUACKNMHQNJT-UHFFFAOYSA-N 0 3 389.504 0.454 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCc3nc(C)nn3C2)CC1 ZINC000171439683 1197157934 /nfs/dbraw/zinc/15/79/34/1197157934.db2.gz BPAWOXDLTOIRJP-HNNXBMFYSA-N 0 3 377.493 0.097 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN3C[C@@H](C(N)=O)CC[C@@H]3C)CC2)cc1 ZINC000171925280 1197159229 /nfs/dbraw/zinc/15/92/29/1197159229.db2.gz KEGDWMJYGLHHHI-WMZOPIPTSA-N 0 3 388.512 0.925 20 0 GCADHN CCN1CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000666041936 1197160914 /nfs/dbraw/zinc/16/09/14/1197160914.db2.gz VKMIGHWFLUIARW-BQFCYCMXSA-N 0 3 395.525 0.638 20 0 GCADHN CCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000666041828 1197160923 /nfs/dbraw/zinc/16/09/23/1197160923.db2.gz AHLGBFHVZVKJIU-CPUCHLNUSA-N 0 3 397.497 0.030 20 0 GCADHN CCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000666041938 1197160944 /nfs/dbraw/zinc/16/09/44/1197160944.db2.gz VKMIGHWFLUIARW-NUJGCVRESA-N 0 3 395.525 0.638 20 0 GCADHN Cc1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1NS(C)(=O)=O ZINC000666048215 1197162060 /nfs/dbraw/zinc/16/20/60/1197162060.db2.gz OUKXKSBMDLYMEH-UHFFFAOYSA-N 0 3 399.517 0.850 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC000986283839 1197162556 /nfs/dbraw/zinc/16/25/56/1197162556.db2.gz UBWXELGBRSIPRJ-RCJHGTSTSA-N 0 3 379.501 0.582 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000262786603 1197162678 /nfs/dbraw/zinc/16/26/78/1197162678.db2.gz MOUPKDZUIDXMIQ-LRDDRELGSA-N 0 3 397.488 0.900 20 0 GCADHN CCn1c(N)c(C(=O)CN2CC[C@H](C)N(Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000173994632 1197180636 /nfs/dbraw/zinc/18/06/36/1197180636.db2.gz GIZUJLCXMSJMTH-HNNXBMFYSA-N 0 3 399.495 0.918 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)nn1-c1ccc(F)cc1F ZINC000453922908 1197181537 /nfs/dbraw/zinc/18/15/37/1197181537.db2.gz VVQJVFVIHDLZLX-WBMJQRKESA-N 0 3 389.406 1.560 20 0 GCADHN Cc1occc1C(=O)NC1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000174542775 1197181587 /nfs/dbraw/zinc/18/15/87/1197181587.db2.gz JNFRMHPTFVUZRD-HNNXBMFYSA-N 0 3 390.484 0.719 20 0 GCADHN CC(C)n1cnnc1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000174698195 1197181732 /nfs/dbraw/zinc/18/17/32/1197181732.db2.gz PJLHSPZKIWFRRK-HOTGVXAUSA-N 0 3 376.505 0.975 20 0 GCADHN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000174698183 1197181924 /nfs/dbraw/zinc/18/19/24/1197181924.db2.gz PJLHSPZKIWFRRK-CVEARBPZSA-N 0 3 376.505 0.975 20 0 GCADHN CCN1C[C@@H](NC(=O)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1=O ZINC000453923669 1197186969 /nfs/dbraw/zinc/18/69/69/1197186969.db2.gz IFTWMKZAQVVAPQ-INIZCTEOSA-N 0 3 387.484 0.504 20 0 GCADHN CCOc1cc2c(cc1NC(=O)C(=O)N1C[C@@H]3CCN(C)[C@@H]3C1)OCCO2 ZINC000453924734 1197188711 /nfs/dbraw/zinc/18/87/11/1197188711.db2.gz YFWKBTMICWLZJX-GXTWGEPZSA-N 0 3 375.425 0.958 20 0 GCADHN Cn1c2ncn(CCN3CCC(OC[C@H]4CCCO4)CC3)c2c(=O)n(C)c1=O ZINC000177459087 1197189730 /nfs/dbraw/zinc/18/97/30/1197189730.db2.gz WTJMLAQWECNWSD-OAHLLOKOSA-N 0 3 391.472 0.094 20 0 GCADHN COc1ccc(N2C[C@H](NC(=O)N[C@@H]3CCCN(CCCO)C3)CC2=O)cc1 ZINC000666090837 1197190506 /nfs/dbraw/zinc/19/05/06/1197190506.db2.gz OZFKGGHTAWQCCW-HZPDHXFCSA-N 0 3 390.484 0.947 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)cc2)CC1 ZINC000177669291 1197191487 /nfs/dbraw/zinc/19/14/87/1197191487.db2.gz WHVOQHZVCPXZJJ-SFHVURJKSA-N 0 3 396.495 0.826 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428531177 1197195504 /nfs/dbraw/zinc/19/55/04/1197195504.db2.gz AEOSCZWRRSRSIU-MRXNPFEDSA-N 0 3 385.486 0.148 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCNC(N)=O)C2)C1CCC1 ZINC001719910787 1197201687 /nfs/dbraw/zinc/20/16/87/1197201687.db2.gz SZMYILMNOJHCOT-OAGGEKHMSA-N 0 3 379.505 0.557 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000666111607 1197204906 /nfs/dbraw/zinc/20/49/06/1197204906.db2.gz XXOQQAVNRDZTQA-GVDBMIGSSA-N 0 3 387.546 0.952 20 0 GCADHN CCOC(=O)C1=C(Nc2ccc(C(=O)NC3CCN(C)CC3)nn2)[C@@H](C)OC1 ZINC001168156660 1197211264 /nfs/dbraw/zinc/21/12/64/1197211264.db2.gz AWNWEWZYUZOKFR-GFCCVEGCSA-N 0 3 389.456 0.948 20 0 GCADHN CN(CC1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)[C@@H]1CCN(C)C1=O ZINC001029980178 1197212236 /nfs/dbraw/zinc/21/22/36/1197212236.db2.gz SAOKMOLPQQXTNW-WNRNVDISSA-N 0 3 379.501 0.439 20 0 GCADHN CC1(C)CCN(CC(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)C1 ZINC000986683437 1197220124 /nfs/dbraw/zinc/22/01/24/1197220124.db2.gz AQPRCISJOXNPPB-QXSJWSMHSA-N 0 3 376.501 0.147 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)C[C@H]1N(C)C ZINC000760208607 1197225566 /nfs/dbraw/zinc/22/55/66/1197225566.db2.gz OUIZUHYDLJUWKJ-BPLDGKMQSA-N 0 3 375.498 0.829 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000185604201 1197225965 /nfs/dbraw/zinc/22/59/65/1197225965.db2.gz GVYOUBVACBIFJD-UHFFFAOYSA-N 0 3 377.420 0.689 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCN([C@@H](C)CO)CC2)cc1C ZINC000470059577 1197229859 /nfs/dbraw/zinc/22/98/59/1197229859.db2.gz XFQHRUTXBIIQCI-KRWDZBQOSA-N 0 3 397.541 0.887 20 0 GCADHN CN1CCN(CCNC(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000669622655 1197232813 /nfs/dbraw/zinc/23/28/13/1197232813.db2.gz OXMXPYVUPSVLKK-UHFFFAOYSA-N 0 3 382.530 0.409 20 0 GCADHN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1n[nH]c2c1CNCC2 ZINC000188740622 1197233166 /nfs/dbraw/zinc/23/31/66/1197233166.db2.gz FWHBEKVIKAZKDT-UHFFFAOYSA-N 0 3 375.454 0.543 20 0 GCADHN C[C@@H](NC[C@@H]1CCCNC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000666187090 1197234595 /nfs/dbraw/zinc/23/45/95/1197234595.db2.gz HGGSUCAVLLUCPG-ZBFHGGJFSA-N 0 3 381.498 0.884 20 0 GCADHN O=C(Cn1cc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cn1)NC1CC1 ZINC000666209813 1197241568 /nfs/dbraw/zinc/24/15/68/1197241568.db2.gz KVHNEGQMRJOPRE-INIZCTEOSA-N 0 3 376.461 0.537 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 ZINC000193100493 1197249338 /nfs/dbraw/zinc/24/93/38/1197249338.db2.gz HGUUJBAAXWOCAQ-HNNXBMFYSA-N 0 3 394.541 0.900 20 0 GCADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(S(C)(=O)=O)CC1 ZINC000193330098 1197249986 /nfs/dbraw/zinc/24/99/86/1197249986.db2.gz NZBBAFPYEJGMQR-AEFFLSMTSA-N 0 3 394.541 0.343 20 0 GCADHN CN(C)CCn1nccc1C(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000888129349 1197254801 /nfs/dbraw/zinc/25/48/01/1197254801.db2.gz UWXUDRFKXCDCFV-GOSISDBHSA-N 0 3 381.477 0.546 20 0 GCADHN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000453954115 1197255851 /nfs/dbraw/zinc/25/58/51/1197255851.db2.gz FIHJOYNPUHWSAQ-ZDUSSCGKSA-N 0 3 392.456 0.315 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000666343798 1197265542 /nfs/dbraw/zinc/26/55/42/1197265542.db2.gz PJDUSPAYOQCERZ-UHFFFAOYSA-N 0 3 375.473 0.798 20 0 GCADHN Cc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103325737 1197271601 /nfs/dbraw/zinc/27/16/01/1197271601.db2.gz OOWBZMZRFFOWCD-UHFFFAOYSA-N 0 3 376.432 0.839 20 0 GCADHN CCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000666431601 1197275280 /nfs/dbraw/zinc/27/52/80/1197275280.db2.gz WZXVLOAWBOWUEG-HNNXBMFYSA-N 0 3 382.530 0.378 20 0 GCADHN O=C(NCCNc1cnccn1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000428556137 1197284720 /nfs/dbraw/zinc/28/47/20/1197284720.db2.gz DVCJZQVGDMQMJZ-GOSISDBHSA-N 0 3 384.484 1.479 20 0 GCADHN C[C@H](O)[C@H]1CCCCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956747 1197308385 /nfs/dbraw/zinc/30/83/85/1197308385.db2.gz BZHUPIXMTUNWQV-GOEBONIOSA-N 0 3 387.488 0.247 20 0 GCADHN C[C@@H](O)[C@@H]1CCCCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956743 1197308477 /nfs/dbraw/zinc/30/84/77/1197308477.db2.gz BZHUPIXMTUNWQV-ZBFHGGJFSA-N 0 3 387.488 0.247 20 0 GCADHN COC(=O)C1([C@]2(O)CCCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)C2)CCC1 ZINC000888203413 1197313360 /nfs/dbraw/zinc/31/33/60/1197313360.db2.gz NFDANTJFJGQCLQ-YWZLYKJASA-N 0 3 395.500 0.093 20 0 GCADHN COC(=O)C1([C@@]2(O)CCCN(C(=O)c3ccnn3CCN(C)C)C2)CCC1 ZINC000888209032 1197314909 /nfs/dbraw/zinc/31/49/09/1197314909.db2.gz HLGYOHUWBPVVGQ-LJQANCHMSA-N 0 3 378.473 0.755 20 0 GCADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cn1 ZINC000532530499 1197320813 /nfs/dbraw/zinc/32/08/13/1197320813.db2.gz RXGNJNBQDXYQFX-CYBMUJFWSA-N 0 3 379.461 0.720 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000532514787 1197321605 /nfs/dbraw/zinc/32/16/05/1197321605.db2.gz RKVKLRZFOZYTDW-FUHWJXTLSA-N 0 3 390.528 0.933 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000532515824 1197321925 /nfs/dbraw/zinc/32/19/25/1197321925.db2.gz RNUPWKFGDQGHGX-WMZOPIPTSA-N 0 3 384.480 0.805 20 0 GCADHN CC[C@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CCN(C)CCOC ZINC001708552612 1197324805 /nfs/dbraw/zinc/32/48/05/1197324805.db2.gz KJCPOVPLUKVCME-GJZGRUSLSA-N 0 3 382.509 0.321 20 0 GCADHN CC[C@@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CCN(C)CCOC ZINC001708552613 1197324937 /nfs/dbraw/zinc/32/49/37/1197324937.db2.gz KJCPOVPLUKVCME-HUUCEWRRSA-N 0 3 382.509 0.321 20 0 GCADHN O=C(CCc1nc(-c2ccccn2)no1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103122773 1197325409 /nfs/dbraw/zinc/32/54/09/1197325409.db2.gz HLGYFDGJAHXRQN-UHFFFAOYSA-N 0 3 398.467 0.831 20 0 GCADHN CC[C@H](NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1)C(=O)NC ZINC000454102800 1197325723 /nfs/dbraw/zinc/32/57/23/1197325723.db2.gz OZFCLWQIQCUQML-INIZCTEOSA-N 0 3 375.473 0.408 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000532551767 1197326212 /nfs/dbraw/zinc/32/62/12/1197326212.db2.gz OVRMEWMTTXRGRN-KBPBESRZSA-N 0 3 391.438 0.571 20 0 GCADHN CCN1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000897441047 1197331175 /nfs/dbraw/zinc/33/11/75/1197331175.db2.gz OLVWKRANCHQMGS-KRWDZBQOSA-N 0 3 388.516 0.050 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000532591853 1197332011 /nfs/dbraw/zinc/33/20/11/1197332011.db2.gz ZBMCYVCVPFMXRR-INIZCTEOSA-N 0 3 388.468 0.906 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000897449967 1197333106 /nfs/dbraw/zinc/33/31/06/1197333106.db2.gz CKOUNRQCRSTDLU-KRWDZBQOSA-N 0 3 381.517 0.927 20 0 GCADHN C[C@H]1OC[C@]2(CC[C@@H](CNC(=O)C(=O)NCCN3CCC[C@@H](C)C3)O2)[C@H]1C ZINC000897451974 1197333756 /nfs/dbraw/zinc/33/37/56/1197333756.db2.gz QRXSSNINQSMLJK-QOSLBHJFSA-N 0 3 381.517 0.923 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000729612434 1197333789 /nfs/dbraw/zinc/33/37/89/1197333789.db2.gz WUYMNZPABHYBMJ-CVEARBPZSA-N 0 3 382.505 0.724 20 0 GCADHN CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001719916162 1197335102 /nfs/dbraw/zinc/33/51/02/1197335102.db2.gz XZSWTMQLOPEYRY-HGTKMLMNSA-N 0 3 379.505 0.413 20 0 GCADHN CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001719916163 1197335378 /nfs/dbraw/zinc/33/53/78/1197335378.db2.gz XZSWTMQLOPEYRY-NYTXWWLZSA-N 0 3 379.505 0.413 20 0 GCADHN COCc1ccccc1CNC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000429729616 1197335643 /nfs/dbraw/zinc/33/56/43/1197335643.db2.gz ZOKFJWNDLVOHTH-IRXDYDNUSA-N 0 3 383.514 0.899 20 0 GCADHN CN(CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C[C@H](O)CN1C(=O)CCC1=O ZINC001272075240 1197339773 /nfs/dbraw/zinc/33/97/73/1197339773.db2.gz JDVGKTZJXAHIQV-LUKYLMHMSA-N 0 3 379.501 0.713 20 0 GCADHN C[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)O1 ZINC000454177077 1197340551 /nfs/dbraw/zinc/34/05/51/1197340551.db2.gz RCBAVHADZAKYON-JSGCOSHPSA-N 0 3 390.440 0.778 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccnc1)N1CCN(C2CCCC2)CC1 ZINC000532621324 1197341719 /nfs/dbraw/zinc/34/17/19/1197341719.db2.gz RWMNZQXUWLUZMB-UHFFFAOYSA-N 0 3 381.502 0.630 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000332837431 1197344740 /nfs/dbraw/zinc/34/47/40/1197344740.db2.gz YLMOPPCEMNDNOL-ZWKOTPCHSA-N 0 3 394.564 0.992 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@@]12CCCO2 ZINC000332844356 1197344851 /nfs/dbraw/zinc/34/48/51/1197344851.db2.gz FBKFMCBAFJOMQX-YZLZLFLDSA-N 0 3 394.516 0.661 20 0 GCADHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000332925856 1197347264 /nfs/dbraw/zinc/34/72/64/1197347264.db2.gz CPZONEVVEPYQNI-VNQPRFMTSA-N 0 3 383.514 0.155 20 0 GCADHN CC(=O)N1CCC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000332941960 1197347316 /nfs/dbraw/zinc/34/73/16/1197347316.db2.gz JVVLJZBZBUHKOU-IRXDYDNUSA-N 0 3 379.505 0.193 20 0 GCADHN C[C@H](CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1)CN1CCN(C)CC1 ZINC000332984604 1197348255 /nfs/dbraw/zinc/34/82/55/1197348255.db2.gz COAJVLLYGZVGGW-AHRSYUTCSA-N 0 3 388.512 0.585 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)[C@@H](C)CN1 ZINC000418802889 1197350693 /nfs/dbraw/zinc/35/06/93/1197350693.db2.gz KQSAOANAQKNHFW-IRXDYDNUSA-N 0 3 380.533 0.594 20 0 GCADHN CCOC(=O)N1CCN(C(=O)CN2CCC[C@H](Cc3nccn3C)C2)CC1 ZINC000123652356 1197351311 /nfs/dbraw/zinc/35/13/11/1197351311.db2.gz BTRVPSHSMUXVAV-MRXNPFEDSA-N 0 3 377.489 0.975 20 0 GCADHN COCC(=O)N1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000124629723 1197353214 /nfs/dbraw/zinc/35/32/14/1197353214.db2.gz WVKMHEGAQXPYIJ-HKUYNNGSSA-N 0 3 388.512 0.556 20 0 GCADHN CN(C)CCN(C)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000475896757 1197354082 /nfs/dbraw/zinc/35/40/82/1197354082.db2.gz MBWJOUWNSLCZPK-INIZCTEOSA-N 0 3 398.529 0.847 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 ZINC000171224967 1197355398 /nfs/dbraw/zinc/35/53/98/1197355398.db2.gz JFVNWHCPYRONLJ-UHFFFAOYSA-N 0 3 385.472 0.350 20 0 GCADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N(C)CC(=O)N1CCOCC1 ZINC000126965164 1197359303 /nfs/dbraw/zinc/35/93/03/1197359303.db2.gz CQFAUXXHDITEPO-MJGOQNOKSA-N 0 3 388.512 0.556 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)CC1 ZINC000127508215 1197361465 /nfs/dbraw/zinc/36/14/65/1197361465.db2.gz URLCLXPOSGERAY-AWEZNQCLSA-N 0 3 398.385 0.807 20 0 GCADHN CN(C)CCN(CCc1ccccc1)C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC000888215049 1197363819 /nfs/dbraw/zinc/36/38/19/1197363819.db2.gz OIULGOMZMQFFLR-MRXNPFEDSA-N 0 3 386.456 0.633 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)CCSC1 ZINC000897474777 1197365544 /nfs/dbraw/zinc/36/55/44/1197365544.db2.gz AXOLSTAYGYIUGI-KXBFYZLASA-N 0 3 399.557 0.632 20 0 GCADHN CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000129316974 1197366046 /nfs/dbraw/zinc/36/60/46/1197366046.db2.gz DMRIIPMDFLOAAT-GOSISDBHSA-N 0 3 394.560 0.746 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000130124678 1197370300 /nfs/dbraw/zinc/37/03/00/1197370300.db2.gz FIAKXTFBNOCQFT-QGZVFWFLSA-N 0 3 379.549 0.914 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2CN(Cc3ccc4c(c3)nnn4C)C[C@H]21 ZINC001075903172 1197376441 /nfs/dbraw/zinc/37/64/41/1197376441.db2.gz RKTFEYSKHGCJGT-JOQQVMPUSA-N 0 3 385.468 0.805 20 0 GCADHN COC(=O)CCN(C)S(=O)(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425200482 1197376937 /nfs/dbraw/zinc/37/69/37/1197376937.db2.gz IAJXRNAWEVRQQX-DLBZAZTESA-N 0 3 381.498 0.932 20 0 GCADHN C[C@H]1C[C@H](NC(=O)NCCN2CCCS2(=O)=O)CN1Cc1ccccc1 ZINC000131487936 1197377436 /nfs/dbraw/zinc/37/74/36/1197377436.db2.gz RVLHMEQTFJYZLA-RDJZCZTQSA-N 0 3 380.514 0.984 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000841710611 1197380671 /nfs/dbraw/zinc/38/06/71/1197380671.db2.gz FIHCHWBRPZDJSE-LSDHHAIUSA-N 0 3 397.520 0.896 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000132618772 1197380742 /nfs/dbraw/zinc/38/07/42/1197380742.db2.gz QFNWSGFDGNYYAA-KRWDZBQOSA-N 0 3 382.530 0.373 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2ccccc2CN2CCSC2=O)no1 ZINC001211958957 1197387265 /nfs/dbraw/zinc/38/72/65/1197387265.db2.gz RVOIRDHFKHVHNC-LBPRGKRZSA-N 0 3 377.426 0.514 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2cc(F)c(F)cc2Br)no1 ZINC001211956353 1197387352 /nfs/dbraw/zinc/38/73/52/1197387352.db2.gz WPUJDWVMTDHYDF-VIFPVBQESA-N 0 3 377.145 0.886 20 0 GCADHN CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)N[C@H](CO)CN(C)C ZINC000614847494 1197387717 /nfs/dbraw/zinc/38/77/17/1197387717.db2.gz MDMNTRNFVCJHLT-XOBRGWDASA-N 0 3 388.468 0.414 20 0 GCADHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CN(C)C)c(OC)c1 ZINC000614853714 1197388261 /nfs/dbraw/zinc/38/82/61/1197388261.db2.gz GYABYAWTBXQTMC-CJNGLKHVSA-N 0 3 379.457 0.347 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000136767586 1197390697 /nfs/dbraw/zinc/39/06/97/1197390697.db2.gz BODDDVJIDZDTHL-KRWDZBQOSA-N 0 3 397.483 0.715 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000136966335 1197391138 /nfs/dbraw/zinc/39/11/38/1197391138.db2.gz LWZWMFZTJNWOAQ-QGZVFWFLSA-N 0 3 388.516 0.710 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000532714918 1197395687 /nfs/dbraw/zinc/39/56/87/1197395687.db2.gz XQRQTKUKOJHTJY-GFCCVEGCSA-N 0 3 382.486 0.615 20 0 GCADHN COc1cccc2c1CCN(CCn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 ZINC000193722131 1197397342 /nfs/dbraw/zinc/39/73/42/1197397342.db2.gz PWHRCGVGMJRPNW-UHFFFAOYSA-N 0 3 383.452 0.543 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)N[C@H]3CS(=O)(=O)C[C@H]3OC)c2)CC1 ZINC000666735727 1197399179 /nfs/dbraw/zinc/39/91/79/1197399179.db2.gz DZUGBAXGXWVOPA-DLBZAZTESA-N 0 3 396.513 0.762 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](c3nccs3)C2)CC1 ZINC000897494594 1197402934 /nfs/dbraw/zinc/40/29/34/1197402934.db2.gz PTYAEXWTGZKSNJ-HOTGVXAUSA-N 0 3 393.557 0.849 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN2CCN(c3ccnc(N(C)C)n3)CC2)C[C@@H](C)O1 ZINC000532731930 1197406570 /nfs/dbraw/zinc/40/65/70/1197406570.db2.gz GCTSCIDTHISPRI-BRWVUGGUSA-N 0 3 378.521 0.135 20 0 GCADHN CS[C@@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C(C)(C)C ZINC000419118837 1197410883 /nfs/dbraw/zinc/41/08/83/1197410883.db2.gz JDTPUKPUGGQXEP-KBPBESRZSA-N 0 3 382.534 0.794 20 0 GCADHN C[C@@]1(n2cc(CNCCC(=O)Nc3ccccn3)cn2)CCS(=O)(=O)C1 ZINC000532866185 1197417770 /nfs/dbraw/zinc/41/77/70/1197417770.db2.gz CBZGTPSDFJAIBU-QGZVFWFLSA-N 0 3 377.470 0.930 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000532979920 1197424523 /nfs/dbraw/zinc/42/45/23/1197424523.db2.gz CFRXDGLTIWKDMS-HNNXBMFYSA-N 0 3 394.497 0.749 20 0 GCADHN O=C(Nc1ccnn1C[C@H]1CCOC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000532998536 1197425912 /nfs/dbraw/zinc/42/59/12/1197425912.db2.gz UDHWEIDKIPNWBI-CVEARBPZSA-N 0 3 375.473 0.945 20 0 GCADHN Cc1ccc(NC(=O)CN(CC(C)(C)O)C2CCOCC2)cc1S(N)(=O)=O ZINC000533022972 1197426614 /nfs/dbraw/zinc/42/66/14/1197426614.db2.gz DWWAJXNTSKLPCJ-UHFFFAOYSA-N 0 3 399.513 0.833 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1 ZINC000533017547 1197427699 /nfs/dbraw/zinc/42/76/99/1197427699.db2.gz ZLRLUBABKCDXEN-AWEZNQCLSA-N 0 3 381.498 0.670 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000533047999 1197428886 /nfs/dbraw/zinc/42/88/86/1197428886.db2.gz AMOZKJMBFUNFOO-AWEZNQCLSA-N 0 3 395.529 0.639 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000533154183 1197434831 /nfs/dbraw/zinc/43/48/31/1197434831.db2.gz WBSBBESPHTZSDQ-KZNAEPCWSA-N 0 3 380.533 0.633 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245909477 1197438157 /nfs/dbraw/zinc/43/81/57/1197438157.db2.gz RDGNJZAOXICASG-BHIYHBOVSA-N 0 3 376.501 0.642 20 0 GCADHN O=C(NCCCN1CCOCC1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245915097 1197438556 /nfs/dbraw/zinc/43/85/56/1197438556.db2.gz RTEKGVJGLBGTNU-OALUTQOASA-N 0 3 376.501 0.643 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@@H](N3CCN(CC)CC3)C2)C1 ZINC000245932634 1197439897 /nfs/dbraw/zinc/43/98/97/1197439897.db2.gz QOJFPBPLVAZJDO-QZTJIDSGSA-N 0 3 380.533 0.500 20 0 GCADHN CCCCn1nccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000533319331 1197444531 /nfs/dbraw/zinc/44/45/31/1197444531.db2.gz ADVGWEHVTLDUSY-UHFFFAOYSA-N 0 3 390.488 0.388 20 0 GCADHN Cc1ccc(F)c(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000130262594 1197445040 /nfs/dbraw/zinc/44/50/40/1197445040.db2.gz RDQKPKRIUTWNCA-UHFFFAOYSA-N 0 3 380.464 0.579 20 0 GCADHN Cc1c(C(=O)N2CC[C@H](N3CCCCC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000533359895 1197446794 /nfs/dbraw/zinc/44/67/94/1197446794.db2.gz RVOMQOKNZHDBHQ-AWEZNQCLSA-N 0 3 385.468 0.641 20 0 GCADHN C[C@@H](CNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000533586505 1197460217 /nfs/dbraw/zinc/46/02/17/1197460217.db2.gz LZEMEBHWIUEHPA-HNNXBMFYSA-N 0 3 382.530 0.666 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)S(C)(=O)=O ZINC000533641092 1197463899 /nfs/dbraw/zinc/46/38/99/1197463899.db2.gz JPEZQDDAJLYTSA-KRWDZBQOSA-N 0 3 396.557 0.879 20 0 GCADHN CCOc1cc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)ccc1OC ZINC001211998130 1197465259 /nfs/dbraw/zinc/46/52/59/1197465259.db2.gz DLXXEMLKCGNEFX-CMPLNLGQSA-N 0 3 391.428 0.394 20 0 GCADHN COc1c(Cl)ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c1F ZINC001211998133 1197465398 /nfs/dbraw/zinc/46/53/98/1197465398.db2.gz DPGXXIQLGRKWMX-OIBJUYFYSA-N 0 3 399.810 0.788 20 0 GCADHN COc1cc(Cl)ccc1-c1noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001211998226 1197465443 /nfs/dbraw/zinc/46/54/43/1197465443.db2.gz JBYORQSNIHBKPE-GZMMTYOYSA-N 0 3 381.820 0.649 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(OC(F)F)cc2)no1)C(N)=O ZINC001211998228 1197465518 /nfs/dbraw/zinc/46/55/18/1197465518.db2.gz JDLBQHVELYUWPM-GZMMTYOYSA-N 0 3 383.355 0.588 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cc(F)c(F)cc2Cl)no1)C(N)=O ZINC001211998337 1197466008 /nfs/dbraw/zinc/46/60/08/1197466008.db2.gz OFVOFOOBHADMLA-UPONEAKYSA-N 0 3 387.774 0.918 20 0 GCADHN COc1ccc(Cl)c(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c1 ZINC001211998729 1197466258 /nfs/dbraw/zinc/46/62/58/1197466258.db2.gz YOQFRDLJASGRGH-QPUJVOFHSA-N 0 3 381.820 0.649 20 0 GCADHN CC(C)Oc1cccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c1 ZINC001211998693 1197466302 /nfs/dbraw/zinc/46/63/02/1197466302.db2.gz WROPYZJMLPAVIC-SMDDNHRTSA-N 0 3 375.429 0.774 20 0 GCADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 ZINC000067208969 1197467816 /nfs/dbraw/zinc/46/78/16/1197467816.db2.gz VCZAWEGLLXYNSV-CQSZACIVSA-N 0 3 393.447 0.765 20 0 GCADHN Cc1cc(-c2noc([C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)n2)ccn1 ZINC001212000605 1197469900 /nfs/dbraw/zinc/46/99/00/1197469900.db2.gz OUSGFENIRCHTIP-HOTGVXAUSA-N 0 3 383.408 0.865 20 0 GCADHN CCN1CCO[C@H](C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)C1 ZINC000074175446 1197471632 /nfs/dbraw/zinc/47/16/32/1197471632.db2.gz HKAPQWSCQIVVAR-IBGZPJMESA-N 0 3 376.501 0.972 20 0 GCADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)c1nc(-c2ccc(OC3COC3)c(F)c2)no1 ZINC001212020679 1197474564 /nfs/dbraw/zinc/47/45/64/1197474564.db2.gz TYSNKMCOUJSTSY-UFBFGSQYSA-N 0 3 393.375 0.033 20 0 GCADHN Cc1cc(C(F)(F)F)c(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)cn1 ZINC001212022843 1197475043 /nfs/dbraw/zinc/47/50/43/1197475043.db2.gz GULAXKNYAABKEG-XVKPBYJWSA-N 0 3 386.334 0.839 20 0 GCADHN O=C(NC1CC1)[C@@H]1CCCN1CCOCCN1CCC[C@H]1C(=O)NC1CC1 ZINC000247085027 1197475219 /nfs/dbraw/zinc/47/52/19/1197475219.db2.gz PMBMEEUBPSTTKK-ROUUACIJSA-N 0 3 378.517 0.489 20 0 GCADHN COc1cc(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)cc(OC)c1OC ZINC001212023233 1197475934 /nfs/dbraw/zinc/47/59/34/1197475934.db2.gz VULRIRGZBGWQTG-WPRPVWTQSA-N 0 3 393.400 0.142 20 0 GCADHN CC(C)Oc1ccc([C@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)C)cc1 ZINC000614875665 1197483079 /nfs/dbraw/zinc/48/30/79/1197483079.db2.gz PUZTUKNMUIFGKJ-INIZCTEOSA-N 0 3 386.518 0.589 20 0 GCADHN CCN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CCCCC1 ZINC001482753592 1197487114 /nfs/dbraw/zinc/48/71/14/1197487114.db2.gz VRBLOIRVIZFQCR-UQZKUAJDSA-N 0 3 393.528 0.658 20 0 GCADHN CN(CCCN(C)C(=O)CNS(=O)(=O)c1cccnc1)Cc1ccncc1 ZINC000614928059 1197489603 /nfs/dbraw/zinc/48/96/03/1197489603.db2.gz KAJABPGIISFZEG-UHFFFAOYSA-N 0 3 391.497 0.735 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@]2(C)OCCc3ccccc32)CC1 ZINC000897528968 1197491414 /nfs/dbraw/zinc/49/14/14/1197491414.db2.gz DJQDIHSNVYRGNR-NRFANRHFSA-N 0 3 389.496 0.818 20 0 GCADHN COc1nc(C)ccc1-c1noc([C@@H]2CCCN2C(=O)[C@@H](N)CCC(N)=O)n1 ZINC001212076519 1197501770 /nfs/dbraw/zinc/50/17/70/1197501770.db2.gz GSZOEWNBMQVSLR-STQMWFEESA-N 0 3 388.428 0.705 20 0 GCADHN Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](c2ccccc2)N(C)C)cn1C ZINC000116609702 1197508835 /nfs/dbraw/zinc/50/88/35/1197508835.db2.gz ROKNXODLPFYVRT-OAHLLOKOSA-N 0 3 379.486 0.426 20 0 GCADHN Cc1nc2ccccc2c(=O)n1CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000116621122 1197509069 /nfs/dbraw/zinc/50/90/69/1197509069.db2.gz QLILNRKAVRVNJY-SFHVURJKSA-N 0 3 399.495 0.764 20 0 GCADHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCNC[C@H]1c1nccn1C ZINC000261623893 1197511210 /nfs/dbraw/zinc/51/12/10/1197511210.db2.gz ACASSATWEBNOMN-DOMZBBRYSA-N 0 3 381.440 0.588 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000261690213 1197511585 /nfs/dbraw/zinc/51/15/85/1197511585.db2.gz FAHJBMUUSJMOEV-HNNXBMFYSA-N 0 3 392.410 0.400 20 0 GCADHN O=C(CNC[C@H]1CCCO1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000261758144 1197513487 /nfs/dbraw/zinc/51/34/87/1197513487.db2.gz KYCKGQRMTRDXHG-CQSZACIVSA-N 0 3 380.470 0.864 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000261806476 1197515334 /nfs/dbraw/zinc/51/53/34/1197515334.db2.gz SATFBZUEPQETMK-GOSISDBHSA-N 0 3 379.468 0.869 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000729786537 1197519098 /nfs/dbraw/zinc/51/90/98/1197519098.db2.gz KIGZMYQYKNOQRL-AWEZNQCLSA-N 0 3 376.457 0.741 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000729786538 1197519293 /nfs/dbraw/zinc/51/92/93/1197519293.db2.gz KIGZMYQYKNOQRL-CQSZACIVSA-N 0 3 376.457 0.741 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000261972403 1197521100 /nfs/dbraw/zinc/52/11/00/1197521100.db2.gz BNDGUPCVWPUKLS-KRWDZBQOSA-N 0 3 375.473 0.899 20 0 GCADHN Cc1ccc([C@H](CN2CCOCC2)NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000262229428 1197527740 /nfs/dbraw/zinc/52/77/40/1197527740.db2.gz VGCOPPFLIQTWEW-HKUYNNGSSA-N 0 3 376.501 0.584 20 0 GCADHN O=C(CCN1CCN(CC(=O)N2CCCc3ccccc32)CC1)N1CCNCC1 ZINC000262261820 1197528275 /nfs/dbraw/zinc/52/82/75/1197528275.db2.gz XRCGRWFRBJVDRH-UHFFFAOYSA-N 0 3 399.539 0.405 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000262207168 1197528855 /nfs/dbraw/zinc/52/88/55/1197528855.db2.gz SSIRSICYFMKMPP-INIZCTEOSA-N 0 3 393.469 0.314 20 0 GCADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1)CC2 ZINC000611658604 1197533575 /nfs/dbraw/zinc/53/35/75/1197533575.db2.gz WMDTVWZRRBBFAA-CABCVRRESA-N 0 3 392.504 0.092 20 0 GCADHN Cc1cccc(OCCNC(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000162452144 1197544132 /nfs/dbraw/zinc/54/41/32/1197544132.db2.gz AWWFTEHWFSWWGR-LJQANCHMSA-N 0 3 388.512 0.728 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N(C)C ZINC000989035616 1197544483 /nfs/dbraw/zinc/54/44/83/1197544483.db2.gz IFTUFQVRWVPLEB-KFGODFMUSA-N 0 3 381.517 0.731 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)ccc1C ZINC000282056225 1197546990 /nfs/dbraw/zinc/54/69/90/1197546990.db2.gz PZIVIZHWGVSEMU-UHFFFAOYSA-N 0 3 390.484 0.862 20 0 GCADHN Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282070096 1197547967 /nfs/dbraw/zinc/54/79/67/1197547967.db2.gz QUGNOXBZPZYCCU-UHFFFAOYSA-N 0 3 375.473 0.175 20 0 GCADHN NS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000615108221 1197551116 /nfs/dbraw/zinc/55/11/16/1197551116.db2.gz LDPMFIUUDZWFDL-HOCLYGCPSA-N 0 3 382.486 0.107 20 0 GCADHN Cc1cccc2c(=O)n(CC(=O)N[C@H](C)C(=O)NCCN3CCCCC3)cnc12 ZINC000508704807 1197554774 /nfs/dbraw/zinc/55/47/74/1197554774.db2.gz XSRFYVLVXNUGSX-MRXNPFEDSA-N 0 3 399.495 0.812 20 0 GCADHN C[C@@H](NC(=O)c1cccnc1N1CCOCC1)C(=O)NCCN1CCCCC1 ZINC000508708275 1197555401 /nfs/dbraw/zinc/55/54/01/1197555401.db2.gz YZWHFQULKYGMJT-MRXNPFEDSA-N 0 3 389.500 0.639 20 0 GCADHN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)COC1CNC1 ZINC000429750470 1197555426 /nfs/dbraw/zinc/55/54/26/1197555426.db2.gz UXUKGYXBYGTRIH-UHFFFAOYSA-N 0 3 376.413 0.690 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)C1 ZINC000428621254 1197556295 /nfs/dbraw/zinc/55/62/95/1197556295.db2.gz CUHGHDFKVUYOPM-INIZCTEOSA-N 0 3 399.513 0.627 20 0 GCADHN C[C@@H](NC(=O)[C@H]1COCCN1C1CCCC1)C(=O)NCCN1CCCCC1 ZINC000508720311 1197558525 /nfs/dbraw/zinc/55/85/25/1197558525.db2.gz RFUGYUIOYPCYSH-SJLPKXTDSA-N 0 3 380.533 0.737 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000455667803 1197562745 /nfs/dbraw/zinc/56/27/45/1197562745.db2.gz JZXAASAEXFNXNY-IBGZPJMESA-N 0 3 399.455 0.821 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000455674001 1197565452 /nfs/dbraw/zinc/56/54/52/1197565452.db2.gz ZCQXYIBNTBCNIH-UHFFFAOYSA-N 0 3 399.499 0.915 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)N(CCC(N)=O)c1ccccc1OC ZINC000429767889 1197576560 /nfs/dbraw/zinc/57/65/60/1197576560.db2.gz PEVKQGCCLPSQQR-KBPBESRZSA-N 0 3 376.457 0.408 20 0 GCADHN NC(=O)C1(NCC(=O)N2CCN(c3cnccn3)CC2)C2CC3CC(C2)CC1C3 ZINC000459777944 1197587224 /nfs/dbraw/zinc/58/72/24/1197587224.db2.gz OLIYYBDJROSHLX-UHFFFAOYSA-N 0 3 398.511 0.395 20 0 GCADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000172545334 1198971589 /nfs/dbraw/zinc/97/15/89/1198971589.db2.gz SNSHXWMBDWAVJG-QWHCGFSZSA-N 0 3 389.435 0.977 20 0 GCADHN Cc1nc2ccnn2cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC000999954093 1198987988 /nfs/dbraw/zinc/98/79/88/1198987988.db2.gz QOOMAKJPZPWSHR-PVAVHDDUSA-N 0 3 382.468 0.995 20 0 GCADHN O=C(NCc1cn([C@H]2CCN(CCn3cccn3)C2)nn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001000012373 1198989687 /nfs/dbraw/zinc/98/96/87/1198989687.db2.gz CEIFKMHINDWCMZ-WXJALIKYSA-N 0 3 397.483 0.461 20 0 GCADHN O=C(N[C@@H]1CN(CCCO)CC2(CCOCC2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001089947630 1199008558 /nfs/dbraw/zinc/00/85/58/1199008558.db2.gz LUABSOUBKCXBFZ-XLAORIBOSA-N 0 3 382.501 0.408 20 0 GCADHN CN1CCC(O)(C(=O)N2CC[C@]3(CCN(CCC(F)(F)F)C3=O)C2)CC1 ZINC001272835174 1199019273 /nfs/dbraw/zinc/01/92/73/1199019273.db2.gz DDUHVXSLZFVRDK-OAHLLOKOSA-N 0 3 377.407 0.847 20 0 GCADHN CN1CCC(O)(C(=O)N2CCCC[C@]23CC(=O)N(CC(F)(F)F)C3)CC1 ZINC001272836097 1199022869 /nfs/dbraw/zinc/02/28/69/1199022869.db2.gz IICAVXJAVFLXOH-OAHLLOKOSA-N 0 3 377.407 0.989 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000265723913 1199026159 /nfs/dbraw/zinc/02/61/59/1199026159.db2.gz ZUHTZCGWJUGHAZ-MRXNPFEDSA-N 0 3 392.500 0.887 20 0 GCADHN NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000265724002 1199031208 /nfs/dbraw/zinc/03/12/08/1199031208.db2.gz ZXJKFYGZHSNHBO-CQSZACIVSA-N 0 3 398.460 0.498 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000672062405 1199055014 /nfs/dbraw/zinc/05/50/14/1199055014.db2.gz BCWJXTYYOGDRFP-INIZCTEOSA-N 0 3 389.500 0.189 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)NC[C@@](C)(O)CN2CCOCC2)N(C)C)cc1 ZINC000465803738 1199071417 /nfs/dbraw/zinc/07/14/17/1199071417.db2.gz DFVYOWACUOACPP-UYAOXDASSA-N 0 3 378.517 0.980 20 0 GCADHN CC1(C)CN(S(=O)(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCO1 ZINC000542846436 1199074588 /nfs/dbraw/zinc/07/45/88/1199074588.db2.gz MNNLFESMNCJKEL-KRWDZBQOSA-N 0 3 383.514 0.698 20 0 GCADHN C[C@@H]1Cc2cc(S(=O)(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)ccc2O1 ZINC000268771940 1199076766 /nfs/dbraw/zinc/07/67/66/1199076766.db2.gz FHSXMEXROMBIQE-PBHICJAKSA-N 0 3 393.509 0.937 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccnc2N2CCOCC2)CC1 ZINC000268891584 1199088154 /nfs/dbraw/zinc/08/81/54/1199088154.db2.gz DBENMEXDYJBYJL-KRWDZBQOSA-N 0 3 387.484 0.297 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)nc1 ZINC000656087672 1199098010 /nfs/dbraw/zinc/09/80/10/1199098010.db2.gz WVCBJKBGXDOXOR-DOTOQJQBSA-N 0 3 387.484 0.707 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(F)c1 ZINC000265745769 1199108652 /nfs/dbraw/zinc/10/86/52/1199108652.db2.gz ASIORPAJJSODSK-ZDUSSCGKSA-N 0 3 394.447 0.551 20 0 GCADHN COC[C@@H]1CCCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672111297 1199109358 /nfs/dbraw/zinc/10/93/58/1199109358.db2.gz FEBGGYCIACVAFF-IAGOWNOFSA-N 0 3 396.532 0.320 20 0 GCADHN C[C@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCCCO1 ZINC000672111340 1199109798 /nfs/dbraw/zinc/10/97/98/1199109798.db2.gz PLFMBNCWLRUYRH-JYJNAYRXSA-N 0 3 382.505 0.119 20 0 GCADHN CCN(Cc1ccoc1)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672111674 1199109926 /nfs/dbraw/zinc/10/99/26/1199109926.db2.gz ZBPHVJYESVWFLU-INIZCTEOSA-N 0 3 378.473 0.687 20 0 GCADHN C[C@@H](CNC(=O)Nc1cc(-n2cnnn2)ccc1F)CN1CCN(C)CC1 ZINC000172659026 1199123896 /nfs/dbraw/zinc/12/38/96/1199123896.db2.gz MFUDCEMOXJXJJC-ZDUSSCGKSA-N 0 3 376.440 0.806 20 0 GCADHN Cn1cc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c(-c2cccnc2)n1 ZINC000172697208 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NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672307361 1199199282 /nfs/dbraw/zinc/19/92/82/1199199282.db2.gz VKFZDYQVNRJWOZ-JKSUJKDBSA-N 0 3 399.495 0.081 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)oc1C ZINC000672309041 1199199505 /nfs/dbraw/zinc/19/95/05/1199199505.db2.gz FOXVEUKOWHLCTB-QGZVFWFLSA-N 0 3 389.500 0.536 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000672307894 1199200591 /nfs/dbraw/zinc/20/05/91/1199200591.db2.gz QXJOQTNCYAGWQZ-GOSISDBHSA-N 0 3 384.480 0.572 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000672310084 1199200754 /nfs/dbraw/zinc/20/07/54/1199200754.db2.gz GEDMXJAATHFFHW-FGTMMUONSA-N 0 3 378.517 0.347 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000672311224 1199201697 /nfs/dbraw/zinc/20/16/97/1199201697.db2.gz BLEKJPXMYAZELV-HXUWFJFHSA-N 0 3 384.524 0.974 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000672311106 1199201826 /nfs/dbraw/zinc/20/18/26/1199201826.db2.gz VVOGBGLKPAKQBS-MRXNPFEDSA-N 0 3 390.509 0.633 20 0 GCADHN CC(=O)N1CCc2cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)ccc21 ZINC000112362201 1199202365 /nfs/dbraw/zinc/20/23/65/1199202365.db2.gz AJIRKEACGLOQHE-UHFFFAOYSA-N 0 3 382.530 0.710 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000672312081 1199203109 /nfs/dbraw/zinc/20/31/09/1199203109.db2.gz ZEIQFALUKLPZDY-ZBFHGGJFSA-N 0 3 388.443 0.648 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000672312072 1199203298 /nfs/dbraw/zinc/20/32/98/1199203298.db2.gz ZEIQFALUKLPZDY-GDBMZVCRSA-N 0 3 388.443 0.648 20 0 GCADHN COc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672311327 1199203397 /nfs/dbraw/zinc/20/33/97/1199203397.db2.gz DATVLTDDXINIEN-KRWDZBQOSA-N 0 3 386.496 0.944 20 0 GCADHN CO[C@@H](CS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000451158152 1199209096 /nfs/dbraw/zinc/20/90/96/1199209096.db2.gz JUTBENWHFONUGM-SJORKVTESA-N 0 3 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ZINC000265803118 1199268850 /nfs/dbraw/zinc/26/88/50/1199268850.db2.gz UDTAMTPVYHICPM-MRXNPFEDSA-N 0 3 382.457 0.420 20 0 GCADHN COC1(CO)CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000672587978 1199275080 /nfs/dbraw/zinc/27/50/80/1199275080.db2.gz ITWMHZGOFPXXRV-MRXNPFEDSA-N 0 3 377.485 0.623 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000672596849 1199277199 /nfs/dbraw/zinc/27/71/99/1199277199.db2.gz SDNWUBWKSDRCGQ-RBUKOAKNSA-N 0 3 387.528 0.081 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000672598516 1199279293 /nfs/dbraw/zinc/27/92/93/1199279293.db2.gz ZYAIAGRNUVNRCS-KURKYZTESA-N 0 3 380.533 0.737 20 0 GCADHN C[C@@H](CN1CCOCC1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001002830762 1199285762 /nfs/dbraw/zinc/28/57/62/1199285762.db2.gz RFNLQDIFAWPZGL-MLHJIOFPSA-N 0 3 378.517 0.299 20 0 GCADHN CN(C[C@@H]1CC=CCC1)C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000672650465 1199309865 /nfs/dbraw/zinc/30/98/65/1199309865.db2.gz VCOFGGVHQDWFQW-GOSISDBHSA-N 0 3 380.533 0.307 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000672694794 1199315949 /nfs/dbraw/zinc/31/59/49/1199315949.db2.gz CRGQHPDMVUKYFG-OAHLLOKOSA-N 0 3 377.464 0.860 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC000672693208 1199317648 /nfs/dbraw/zinc/31/76/48/1199317648.db2.gz QWXFHCSZURAZAV-GVDBMIGSSA-N 0 3 396.532 0.367 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000672698601 1199319063 /nfs/dbraw/zinc/31/90/63/1199319063.db2.gz HDCMGJZEKWZCEX-KRWDZBQOSA-N 0 3 376.505 0.055 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000672699681 1199319967 /nfs/dbraw/zinc/31/99/67/1199319967.db2.gz CADCACZEUAXASQ-DLBZAZTESA-N 0 3 380.533 0.988 20 0 GCADHN CC(C)c1cc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)on1 ZINC000672737445 1199326214 /nfs/dbraw/zinc/32/62/14/1199326214.db2.gz GANQVQWRMLSKTK-UHFFFAOYSA-N 0 3 391.472 0.181 20 0 GCADHN COc1ccc([C@@H](CN(C)C)NC(=O)NCC(C)(C)NS(C)(=O)=O)cc1 ZINC000672851718 1199351102 /nfs/dbraw/zinc/35/11/02/1199351102.db2.gz YEVQJPVXUMCDTA-OAHLLOKOSA-N 0 3 386.518 0.925 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCOC[C@H]2c2ccco2)CC1(C)C ZINC000672854492 1199352116 /nfs/dbraw/zinc/35/21/16/1199352116.db2.gz AZQMUJYHZHVPBG-HNNXBMFYSA-N 0 3 378.473 0.322 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)CC1(C)C ZINC000672854904 1199354021 /nfs/dbraw/zinc/35/40/21/1199354021.db2.gz JNLDQQYGVHRIMU-INIZCTEOSA-N 0 3 376.505 0.189 20 0 GCADHN COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C(C)C)N(C)C)ncn1 ZINC001002948744 1199355867 /nfs/dbraw/zinc/35/58/67/1199355867.db2.gz BCVOVVKBWFZGEQ-LNCBFAARSA-N 0 3 375.473 0.933 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000543009599 1199357906 /nfs/dbraw/zinc/35/79/06/1199357906.db2.gz CPTOJKAWYKSHBI-HNNXBMFYSA-N 0 3 392.500 0.576 20 0 GCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000672910705 1199365846 /nfs/dbraw/zinc/36/58/46/1199365846.db2.gz PVUXGYNDRAQUFT-KRWDZBQOSA-N 0 3 388.468 0.602 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1F ZINC000672910697 1199366161 /nfs/dbraw/zinc/36/61/61/1199366161.db2.gz NCIOEIUZHOGVAX-CYBMUJFWSA-N 0 3 398.460 0.273 20 0 GCADHN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066223349 1199391577 /nfs/dbraw/zinc/39/15/77/1199391577.db2.gz MIONCKCBNSBGGH-OAHLLOKOSA-N 0 3 395.463 0.978 20 0 GCADHN CSc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000066219942 1199391930 /nfs/dbraw/zinc/39/19/30/1199391930.db2.gz DAHNJGXOODOTAB-CQSZACIVSA-N 0 3 393.513 0.801 20 0 GCADHN CC[C@H](NC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000543063528 1199413097 /nfs/dbraw/zinc/41/30/97/1199413097.db2.gz QLLRYJLYLQVFNC-DEICHXMPSA-N 0 3 385.530 0.845 20 0 GCADHN C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000673132420 1199436772 /nfs/dbraw/zinc/43/67/72/1199436772.db2.gz UANXOZZZMPFBHJ-WBVHZDCISA-N 0 3 397.545 0.811 20 0 GCADHN COc1cccc(C[C@@H](O)C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000682376858 1199451862 /nfs/dbraw/zinc/45/18/62/1199451862.db2.gz KKMNPYMMKLNVAR-QZTJIDSGSA-N 0 3 375.469 0.539 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC000673148891 1199455936 /nfs/dbraw/zinc/45/59/36/1199455936.db2.gz JGDCVJKIUJGKED-OAHLLOKOSA-N 0 3 379.457 0.720 20 0 GCADHN CCCC[C@H](CC)CN1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H](C1)O2 ZINC001272982227 1199458255 /nfs/dbraw/zinc/45/82/55/1199458255.db2.gz PAPZREYZDYAJLM-MWDXBVQZSA-N 0 3 387.546 0.806 20 0 GCADHN Cc1ccncc1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000673188079 1199465777 /nfs/dbraw/zinc/46/57/77/1199465777.db2.gz FXTOIYHNAQJJQP-DOTOQJQBSA-N 0 3 387.484 0.332 20 0 GCADHN O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001272982718 1199466492 /nfs/dbraw/zinc/46/64/92/1199466492.db2.gz YQJOFPCUODGTRB-AEFFLSMTSA-N 0 3 380.514 0.911 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC(=O)NC1)C2)C1CCC1 ZINC001003289613 1199479286 /nfs/dbraw/zinc/47/92/86/1199479286.db2.gz YFTCERZMILYWSF-DZUCGIPZSA-N 0 3 376.501 0.635 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccnc4ccnn42)C3)C1 ZINC001003284711 1199482800 /nfs/dbraw/zinc/48/28/00/1199482800.db2.gz CTNHBIODKXMHES-FPCVCCKLSA-N 0 3 382.468 0.933 20 0 GCADHN C[C@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000265825883 1199494752 /nfs/dbraw/zinc/49/47/52/1199494752.db2.gz YCCWXNYDPJFUMU-OAHLLOKOSA-N 0 3 397.545 0.942 20 0 GCADHN C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000265825881 1199494879 /nfs/dbraw/zinc/49/48/79/1199494879.db2.gz YCCWXNYDPJFUMU-HNNXBMFYSA-N 0 3 397.545 0.942 20 0 GCADHN Cc1nc(C)n(CCN2CCC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)n1 ZINC001003364494 1199505981 /nfs/dbraw/zinc/50/59/81/1199505981.db2.gz DJAHDXMZRRXQKS-RYQLBKOJSA-N 0 3 377.489 0.527 20 0 GCADHN CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001003359925 1199509373 /nfs/dbraw/zinc/50/93/73/1199509373.db2.gz CXJCNXKODIQAAV-SFFUCWETSA-N 0 3 384.480 0.731 20 0 GCADHN C[C@@H]1COCCN1CCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000673293105 1199522948 /nfs/dbraw/zinc/52/29/48/1199522948.db2.gz YYYRPFOOHCXKMY-GOSISDBHSA-N 0 3 394.560 0.986 20 0 GCADHN CN(C)[C@@H](CNC(=O)NCCC(=O)N1CCN(C)CC1)c1ccc(F)cc1 ZINC000079653625 1199532862 /nfs/dbraw/zinc/53/28/62/1199532862.db2.gz CLFDYPPKAUATCF-KRWDZBQOSA-N 0 3 379.480 0.892 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cn1 ZINC000265831606 1199541604 /nfs/dbraw/zinc/54/16/04/1199541604.db2.gz OKZADRYTNWAQEQ-HNNXBMFYSA-N 0 3 377.489 0.807 20 0 GCADHN O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)N1CCc2c[nH]nc2C1 ZINC000673330168 1199547218 /nfs/dbraw/zinc/54/72/18/1199547218.db2.gz OYLMJKRWUSFFNW-UHFFFAOYSA-N 0 3 397.479 0.568 20 0 GCADHN C[C@H]1COCCCN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000673330163 1199547374 /nfs/dbraw/zinc/54/73/74/1199547374.db2.gz NMYSIPHJZNMMEE-INIZCTEOSA-N 0 3 389.496 0.897 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000466198513 1199548313 /nfs/dbraw/zinc/54/83/13/1199548313.db2.gz GHYLYKIIEABHNR-QGZVFWFLSA-N 0 3 378.473 0.803 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCN(C)C2=O)C3)CCC1 ZINC001003468368 1199557838 /nfs/dbraw/zinc/55/78/38/1199557838.db2.gz NNFXUERRFOMEHW-FPCVCCKLSA-N 0 3 376.501 0.587 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673355232 1199569174 /nfs/dbraw/zinc/56/91/74/1199569174.db2.gz CIHVZRGTYMUBQP-KRWDZBQOSA-N 0 3 380.533 0.940 20 0 GCADHN CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ccncc13)C2)C1CC1 ZINC001003501148 1199569371 /nfs/dbraw/zinc/56/93/71/1199569371.db2.gz WLXVNHJTFFMFPM-NYCLONFESA-N 0 3 382.468 0.931 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccsc2C(=O)OC)CC1 ZINC000543237988 1199603219 /nfs/dbraw/zinc/60/32/19/1199603219.db2.gz ATEMCVSPCZKILB-LBPRGKRZSA-N 0 3 382.486 0.615 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1)C1=CCN(C)CC1 ZINC000673417934 1199613459 /nfs/dbraw/zinc/61/34/59/1199613459.db2.gz HCUUOUQAADAIIA-HIFRSBDPSA-N 0 3 375.448 0.682 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3n1CCOC3)C2)N(C)C ZINC001003698116 1199633258 /nfs/dbraw/zinc/63/32/58/1199633258.db2.gz GQPMRFGVBMPHRN-TUVASFSCSA-N 0 3 375.473 0.615 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)O1 ZINC001003708208 1199636819 /nfs/dbraw/zinc/63/68/19/1199636819.db2.gz LPSHPUVOORNPQH-HSFUPAIVSA-N 0 3 392.544 0.686 20 0 GCADHN CCn1ncc(C)c1NC(=O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000657522780 1199648624 /nfs/dbraw/zinc/64/86/24/1199648624.db2.gz YJAWAANDBOBIMN-QGZVFWFLSA-N 0 3 385.468 0.685 20 0 GCADHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000670395971 1199705130 /nfs/dbraw/zinc/70/51/30/1199705130.db2.gz NBXRLIKEKLTYKA-HNNXBMFYSA-N 0 3 380.489 0.669 20 0 GCADHN CN(C)Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 ZINC000543403403 1199711439 /nfs/dbraw/zinc/71/14/39/1199711439.db2.gz BCCWDWRQOASGTR-UHFFFAOYSA-N 0 3 378.458 0.013 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCCC1=O)C2)C1CCC1 ZINC001003938610 1199716022 /nfs/dbraw/zinc/71/60/22/1199716022.db2.gz QCFSFYVNUOSLHE-ZACQAIPSSA-N 0 3 376.501 0.731 20 0 GCADHN C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000673505015 1199716963 /nfs/dbraw/zinc/71/69/63/1199716963.db2.gz SQWBPZJHXKZHMI-RDBSUJKOSA-N 0 3 391.472 0.277 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2)C1CCC1 ZINC001003951110 1199721696 /nfs/dbraw/zinc/72/16/96/1199721696.db2.gz NBYGFGCUPOBKLJ-OAGGEKHMSA-N 0 3 377.489 0.134 20 0 GCADHN O=C([C@H](c1ccccc1F)N1CCOCC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673513180 1199724673 /nfs/dbraw/zinc/72/46/73/1199724673.db2.gz LTZLJTNOASGZJW-BXWFABGCSA-N 0 3 377.460 0.867 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(N(C)C)CCC1)N1CCOCC1 ZINC001003969840 1199726004 /nfs/dbraw/zinc/72/60/04/1199726004.db2.gz UKUUFQQHWNVNKL-HZMVEIRTSA-N 0 3 378.517 0.440 20 0 GCADHN O=C(NCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)NCc1ccc(Cl)cc1 ZINC000673517479 1199727164 /nfs/dbraw/zinc/72/71/64/1199727164.db2.gz MOVPSCZZWFVREV-CVEARBPZSA-N 0 3 380.876 0.807 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000673519674 1199728359 /nfs/dbraw/zinc/72/83/59/1199728359.db2.gz AAFGVXWWDNOMIP-IAGOWNOFSA-N 0 3 377.485 0.733 20 0 GCADHN COc1ccc(CN2C[C@H](C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)CC2=O)cc1 ZINC000673516077 1199729431 /nfs/dbraw/zinc/72/94/31/1199729431.db2.gz USMZTNCHGIDTOX-FGTMMUONSA-N 0 3 387.480 0.711 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673514987 1199729531 /nfs/dbraw/zinc/72/95/31/1199729531.db2.gz LPCFQKHKJLKGCN-SJORKVTESA-N 0 3 395.525 0.997 20 0 GCADHN CCc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1S(N)(=O)=O ZINC000265855863 1199730898 /nfs/dbraw/zinc/73/08/98/1199730898.db2.gz VNNOTHWBMNBPPG-ZDUSSCGKSA-N 0 3 382.486 0.245 20 0 GCADHN CC(C)C[C@H](C(=O)N[C@@H](CO)CN1CCCC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000673531469 1199733958 /nfs/dbraw/zinc/73/39/58/1199733958.db2.gz PFPFRMPQWWMAAX-ZJPYXAASSA-N 0 3 391.512 0.925 20 0 GCADHN C[C@H](C(=O)N[C@@H](CO)CN1CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000673530020 1199735803 /nfs/dbraw/zinc/73/58/03/1199735803.db2.gz BMNUOHYLQSJKLF-SJLPKXTDSA-N 0 3 378.492 0.909 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000673530792 1199736581 /nfs/dbraw/zinc/73/65/81/1199736581.db2.gz IOXPECUFZCKQQF-MRXNPFEDSA-N 0 3 396.513 0.055 20 0 GCADHN CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000265856040 1199739593 /nfs/dbraw/zinc/73/95/93/1199739593.db2.gz SDPPSXOZMFNOGK-AWEZNQCLSA-N 0 3 389.500 0.892 20 0 GCADHN CN1CCN(C[C@@H](NC(=O)NCCCN2CCOCC2)c2ccccc2)CC1 ZINC000069864710 1199739797 /nfs/dbraw/zinc/73/97/97/1199739797.db2.gz CLMBCCWQDRAELJ-HXUWFJFHSA-N 0 3 389.544 0.997 20 0 GCADHN Cc1ncc2n1C[C@H](C(=O)N[C@H]1CCCN(CCN3CCOCC3)C1)CC2 ZINC000922347849 1199743720 /nfs/dbraw/zinc/74/37/20/1199743720.db2.gz ZRRGCBTWCVJOFC-MSOLQXFVSA-N 0 3 375.517 0.667 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCN(C(C)C)CC2)c2ccccc2O1 ZINC000069988777 1199754410 /nfs/dbraw/zinc/75/44/10/1199754410.db2.gz HKKLDRGLKAONCS-KRWDZBQOSA-N 0 3 389.452 0.896 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N(C)C[C@]1(O)CCc2ccccc21 ZINC000843247670 1199755226 /nfs/dbraw/zinc/75/52/26/1199755226.db2.gz GVSGKZHXYVCSPM-HXUWFJFHSA-N 0 3 377.485 0.315 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC1 ZINC000118341776 1199759955 /nfs/dbraw/zinc/75/99/55/1199759955.db2.gz JRUSLNPPTOGKFA-QFBILLFUSA-N 0 3 385.516 0.908 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)CSc2nc(C)cc(C)n2)CC1=O ZINC000673549652 1199784831 /nfs/dbraw/zinc/78/48/31/1199784831.db2.gz HGRFABAATGQLIU-HNNXBMFYSA-N 0 3 395.529 0.481 20 0 GCADHN CCCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000673549933 1199784854 /nfs/dbraw/zinc/78/48/54/1199784854.db2.gz YHOXTWSZLUGBIW-HOTGVXAUSA-N 0 3 382.505 0.073 20 0 GCADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCOCC1)C2 ZINC001004152828 1199792116 /nfs/dbraw/zinc/79/21/16/1199792116.db2.gz IEZDLOJXMBYEBR-NCOADZHNSA-N 0 3 378.517 0.440 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000922518767 1199808031 /nfs/dbraw/zinc/80/80/31/1199808031.db2.gz PMCYIOIOAWFJQK-OVWQWFNUSA-N 0 3 380.489 0.365 20 0 GCADHN COc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1OCC(N)=O ZINC000499919943 1199814684 /nfs/dbraw/zinc/81/46/84/1199814684.db2.gz JZZHLGUFIQEGNQ-HNNXBMFYSA-N 0 3 379.457 0.742 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C(N)=O)c1)C2)N(C)C ZINC001004272490 1199831944 /nfs/dbraw/zinc/83/19/44/1199831944.db2.gz OSAHTNHEJBSMDY-NYTXWWLZSA-N 0 3 376.457 0.826 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cnnn2-c2ccccc2)C1 ZINC000624954367 1199854224 /nfs/dbraw/zinc/85/42/24/1199854224.db2.gz UXXTULUWYPZPAD-AWEZNQCLSA-N 0 3 392.485 0.133 20 0 GCADHN CN1CCCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1=O ZINC001004325161 1199860011 /nfs/dbraw/zinc/86/00/11/1199860011.db2.gz FCZGSJBAHJCFDZ-VQHPVUNQSA-N 0 3 376.501 0.589 20 0 GCADHN COC(=O)C(C)(C)CC(=O)N1C[C@@]2(F)C(=O)N(CCN(C)C)C[C@@]2(F)C1 ZINC001273047633 1199868052 /nfs/dbraw/zinc/86/80/52/1199868052.db2.gz VTZCSJHXSHVWAG-IAGOWNOFSA-N 0 3 375.416 0.238 20 0 GCADHN CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1NC(=O)c1[nH]ncc1F ZINC000946604107 1199876776 /nfs/dbraw/zinc/87/67/76/1199876776.db2.gz OVJIIMHKPXEXFF-BGOOENEXSA-N 0 3 376.392 0.042 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)n2nnc(-c3ccccc3)n2)CC1 ZINC000173066416 1199879281 /nfs/dbraw/zinc/87/92/81/1199879281.db2.gz UTBTXEYIPOERED-INIZCTEOSA-N 0 3 399.499 0.914 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000429005056 1199881993 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Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000173517851 1200345547 /nfs/dbraw/zinc/34/55/47/1200345547.db2.gz DHRSWLBVSQJIHZ-OAHLLOKOSA-N 0 3 375.517 0.982 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000675135911 1200354481 /nfs/dbraw/zinc/35/44/81/1200354481.db2.gz AEYVHDQGZLJAKR-XJKSGUPXSA-N 0 3 396.513 0.259 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000675134394 1200354798 /nfs/dbraw/zinc/35/47/98/1200354798.db2.gz FSDZTAZWUDBISN-AYOQOUSVSA-N 0 3 386.496 0.893 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1OC ZINC000670493314 1200354854 /nfs/dbraw/zinc/35/48/54/1200354854.db2.gz QKFCSOKVKLBZJK-MRXNPFEDSA-N 0 3 375.469 0.963 20 0 GCADHN CN(C)CCN(C)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC000675263965 1200367310 /nfs/dbraw/zinc/36/73/10/1200367310.db2.gz YVFJXOBFKYRLFO-UHFFFAOYSA-N 0 3 390.444 0.205 20 0 GCADHN CC(C)C1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000173862830 1200376993 /nfs/dbraw/zinc/37/69/93/1200376993.db2.gz MVOGCKKKNKBJGI-UHFFFAOYSA-N 0 3 380.533 0.357 20 0 GCADHN Cc1nc2ccnn2cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCN1C ZINC001005732100 1200422020 /nfs/dbraw/zinc/42/20/20/1200422020.db2.gz JMRPMLJVIJCHGZ-MXASKKJJSA-N 0 3 382.468 0.994 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000675709786 1200454853 /nfs/dbraw/zinc/45/48/53/1200454853.db2.gz DFAKZSROJQFFOD-ZWKOTPCHSA-N 0 3 381.565 0.955 20 0 GCADHN CC(C)CN1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001129112323 1200466465 /nfs/dbraw/zinc/46/64/65/1200466465.db2.gz GIKJSNFTSPIJFS-WCVJEAGWSA-N 0 3 378.477 0.089 20 0 GCADHN COc1ccc(COCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000675919052 1200467934 /nfs/dbraw/zinc/46/79/34/1200467934.db2.gz JPSNUYYMNRCCTI-GOSISDBHSA-N 0 3 375.469 0.977 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(CCN([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001035207764 1200469822 /nfs/dbraw/zinc/46/98/22/1200469822.db2.gz GXFBMJCDZBDXIH-IDUQQSTBSA-N 0 3 387.480 0.530 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000675937427 1200471170 /nfs/dbraw/zinc/47/11/70/1200471170.db2.gz RYCDNWKCYVBQSE-OAHLLOKOSA-N 0 3 386.456 0.058 20 0 GCADHN CSc1ccncc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000675937092 1200472363 /nfs/dbraw/zinc/47/23/63/1200472363.db2.gz HBLFHZDVMRFUCP-AWEZNQCLSA-N 0 3 391.497 0.507 20 0 GCADHN COc1cc(CCNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1O ZINC000675990464 1200474906 /nfs/dbraw/zinc/47/49/06/1200474906.db2.gz SKHBSUTYDKUKJZ-INIZCTEOSA-N 0 3 390.484 0.891 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000675968385 1200475163 /nfs/dbraw/zinc/47/51/63/1200475163.db2.gz JEAABGAGOUCGMP-HNNXBMFYSA-N 0 3 387.475 0.664 20 0 GCADHN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)[C@@H]1CN(C)CCO1 ZINC000676305702 1200541866 /nfs/dbraw/zinc/54/18/66/1200541866.db2.gz IKYQXLXBZKHDPB-FFGOWVMKSA-N 0 3 390.528 0.888 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(CN(C[C@H](O)Cn3cccn3)C2)CC1 ZINC001035757742 1200543311 /nfs/dbraw/zinc/54/33/11/1200543311.db2.gz LVLRVEXDRASZIN-WXJALIKYSA-N 0 3 386.496 0.592 20 0 GCADHN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676344895 1200545465 /nfs/dbraw/zinc/54/54/65/1200545465.db2.gz KDOIPQYYZOYPBW-CQSZACIVSA-N 0 3 385.486 0.821 20 0 GCADHN O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676344587 1200545521 /nfs/dbraw/zinc/54/55/21/1200545521.db2.gz PQZNDLSFBKBYJC-HNNXBMFYSA-N 0 3 378.473 0.611 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676344854 1200545631 /nfs/dbraw/zinc/54/56/31/1200545631.db2.gz UHFARAZVNDGRGK-IRXDYDNUSA-N 0 3 387.546 0.950 20 0 GCADHN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676344544 1200546181 /nfs/dbraw/zinc/54/61/81/1200546181.db2.gz DIOAQCHRRSFLRO-GVDBMIGSSA-N 0 3 377.485 0.921 20 0 GCADHN C[C@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NCCF ZINC000282525396 1200553615 /nfs/dbraw/zinc/55/36/15/1200553615.db2.gz LJAGMQNGDNFHCU-KRWDZBQOSA-N 0 3 393.507 0.968 20 0 GCADHN O=C(NC1CC1)c1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000676419550 1200557334 /nfs/dbraw/zinc/55/73/34/1200557334.db2.gz VECXTNIJBQAWJY-IBGZPJMESA-N 0 3 386.496 0.602 20 0 GCADHN COc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C(C)C)N(C)C)cn1 ZINC001005801224 1200560883 /nfs/dbraw/zinc/56/08/83/1200560883.db2.gz JXFPQOGAAQBNFD-LVQVYYBASA-N 0 3 375.473 0.933 20 0 GCADHN CN(CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)CC(C)(C)C ZINC001061925205 1200561052 /nfs/dbraw/zinc/56/10/52/1200561052.db2.gz PFPNOMOLFUWJAM-HZMVEIRTSA-N 0 3 381.517 0.875 20 0 GCADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129271548 1200599127 /nfs/dbraw/zinc/59/91/27/1200599127.db2.gz HMBHRFHPNFCJCL-KONPQCLYSA-N 0 3 387.488 0.583 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000591502617 1200622402 /nfs/dbraw/zinc/62/24/02/1200622402.db2.gz BSNJFHLKRBVXBM-KRWDZBQOSA-N 0 3 399.499 1.391 20 0 GCADHN CN1CC[C@](O)(CNC(=O)Nc2ccn(C(C)(C)C(=O)OC(C)(C)C)n2)C1 ZINC000597125331 1200686997 /nfs/dbraw/zinc/68/69/97/1200686997.db2.gz XNCYTQWXQUYDQD-SFHVURJKSA-N 0 3 381.477 1.148 20 0 GCADHN NC(=O)c1ccc(NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)nn1 ZINC000450812757 1200733153 /nfs/dbraw/zinc/73/31/53/1200733153.db2.gz NNLVOODKESIAIV-UHFFFAOYSA-N 0 3 396.495 1.359 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000429298601 1200735601 /nfs/dbraw/zinc/73/56/01/1200735601.db2.gz FBHPMJZHZXMQMP-ILXRZTDVSA-N 0 3 398.504 0.337 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)nn1 ZINC000580055012 1200744724 /nfs/dbraw/zinc/74/47/24/1200744724.db2.gz CADBCLQDVLDJGE-RRFJBIMHSA-N 0 3 375.473 1.391 20 0 GCADHN Cc1cc(C)n(-c2ccc(N[C@@H]3CCCN(CCN4CCOCC4)C3)nn2)n1 ZINC000641719099 1200754855 /nfs/dbraw/zinc/75/48/55/1200754855.db2.gz LYIWWLNPSGQLEX-GOSISDBHSA-N 0 3 385.516 1.488 20 0 GCADHN CNc1nnc(CC(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)s1 ZINC000546790141 1200767324 /nfs/dbraw/zinc/76/73/24/1200767324.db2.gz JOFCOKRBBPHHKI-ZDUSSCGKSA-N 0 3 388.497 1.458 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C3)C1 ZINC001005906384 1200770195 /nfs/dbraw/zinc/77/01/95/1200770195.db2.gz CXBWIRLUYBZWRF-ZOZBEKFXSA-N 0 3 376.501 0.635 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(C(=O)OC)c(OC)c2)CC1 ZINC000282534591 1200780247 /nfs/dbraw/zinc/78/02/47/1200780247.db2.gz IQDBLUNSZICRHK-UHFFFAOYSA-N 0 3 385.486 0.398 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN[C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000429318115 1200787495 /nfs/dbraw/zinc/78/74/95/1200787495.db2.gz MMCVMIOLPACWNY-OAHLLOKOSA-N 0 3 389.477 0.455 20 0 GCADHN CC(C)(C)N1C[C@@H](NC(=O)NCCCCN2CCN(CCO)CC2)CC1=O ZINC000429321852 1200797041 /nfs/dbraw/zinc/79/70/41/1200797041.db2.gz ZKZFRIQQVVMQNR-INIZCTEOSA-N 0 3 383.537 0.075 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000370422729 1200820006 /nfs/dbraw/zinc/82/00/06/1200820006.db2.gz GIKWKWJPDYYMBU-IAGOWNOFSA-N 0 3 383.452 0.849 20 0 GCADHN CCCN(C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@H]1CCN(C)C1 ZINC000646276362 1200843975 /nfs/dbraw/zinc/84/39/75/1200843975.db2.gz FNOLAORCLRXSFT-HNNXBMFYSA-N 0 3 378.477 0.690 20 0 GCADHN O=C(Nc1cc2n(n1)CCCC2)C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000463997937 1200851129 /nfs/dbraw/zinc/85/11/29/1200851129.db2.gz ZZAWKKPDGCDFIL-QGZVFWFLSA-N 0 3 383.452 1.363 20 0 GCADHN CN1CCN(CCNC(=O)NCc2cccc(OCC(N)=O)c2)CC1(C)C ZINC000282537621 1200859954 /nfs/dbraw/zinc/85/99/54/1200859954.db2.gz XBRABOBFJNIODC-UHFFFAOYSA-N 0 3 377.489 0.376 20 0 GCADHN N[C@H](C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC000509343489 1200866014 /nfs/dbraw/zinc/86/60/14/1200866014.db2.gz KCVBMROFXZKZAE-KDOFPFPSSA-N 0 3 377.441 0.181 20 0 GCADHN COC(=O)c1c(F)cccc1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282537872 1200866131 /nfs/dbraw/zinc/86/61/31/1200866131.db2.gz MVIQOYUTYYTVAZ-UHFFFAOYSA-N 0 3 387.477 0.917 20 0 GCADHN COCCS(=O)(=O)c1ccc(CNCCC(=O)Nc2cc(C)on2)cc1 ZINC000567700196 1200880262 /nfs/dbraw/zinc/88/02/62/1200880262.db2.gz GWUKCQGVBBLDJS-UHFFFAOYSA-N 0 3 381.454 1.522 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCOC[C@@H]2CCCO2)CC1 ZINC000509360440 1200912954 /nfs/dbraw/zinc/91/29/54/1200912954.db2.gz WNFMXYTVSUFHGN-KRWDZBQOSA-N 0 3 384.521 0.768 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)nn1 ZINC000551472047 1200978522 /nfs/dbraw/zinc/97/85/22/1200978522.db2.gz AVIHNFGFDVGBQC-UHFFFAOYSA-N 0 3 375.404 1.153 20 0 GCADHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccco1 ZINC000554245166 1201009222 /nfs/dbraw/zinc/00/92/22/1201009222.db2.gz NSGLMBYAHHFJPM-STQMWFEESA-N 0 3 377.449 1.210 20 0 GCADHN Cc1nc(NC[C@H](CO)[C@@H]2CCOC2)cc(NC[C@H](CO)[C@@H]2CCOC2)n1 ZINC000574220092 1201032368 /nfs/dbraw/zinc/03/23/68/1201032368.db2.gz LPNWFFPQMARXIA-QBPKDAKJSA-N 0 3 380.489 0.899 20 0 GCADHN Cc1nc(NCc2nnnn2CC2CC2)cc(NCc2nnnn2CC2CC2)n1 ZINC000546732156 1201033322 /nfs/dbraw/zinc/03/33/22/1201033322.db2.gz KIXLZGRBJDUITL-UHFFFAOYSA-N 0 3 396.463 0.802 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)C[C@H](C)O1 ZINC000626023579 1201045334 /nfs/dbraw/zinc/04/53/34/1201045334.db2.gz LMXDACLZAYHOHE-XHSDSOJGSA-N 0 3 377.489 0.779 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000561135669 1201085124 /nfs/dbraw/zinc/08/51/24/1201085124.db2.gz UXOBUVHURMTKKH-MRXNPFEDSA-N 0 3 398.515 0.628 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000553222781 1201086729 /nfs/dbraw/zinc/08/67/29/1201086729.db2.gz IQIPKNONYZADSU-HNNXBMFYSA-N 0 3 385.472 0.541 20 0 GCADHN COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C(C)C)N(C)C)nn1 ZINC001006154669 1201135044 /nfs/dbraw/zinc/13/50/44/1201135044.db2.gz OGHLDGBFJDUCJQ-JJAZEVLHSA-N 0 3 375.473 0.933 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)c2nc(N)nc(N3CCOCC3)n2)N(C)C)cc1 ZINC000553060850 1201139078 /nfs/dbraw/zinc/13/90/78/1201139078.db2.gz MHOPQYPQOUDBKP-OAHLLOKOSA-N 0 3 385.472 0.632 20 0 GCADHN Nc1nc(CN2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)nc2ccccc12 ZINC000535004690 1201150653 /nfs/dbraw/zinc/15/06/53/1201150653.db2.gz IXNRFZDUYLTCAF-SFHVURJKSA-N 0 3 395.511 0.246 20 0 GCADHN Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)N3CCNCC3)CC2)c1C ZINC000923578794 1201152567 /nfs/dbraw/zinc/15/25/67/1201152567.db2.gz HYPXRRAIESOFBG-UHFFFAOYSA-N 0 3 395.529 0.010 20 0 GCADHN CCOc1ccnc(N2CCCN(C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000486453513 1201191890 /nfs/dbraw/zinc/19/18/90/1201191890.db2.gz VIBCNKQESABSBL-KSZLIROESA-N 0 3 393.532 0.858 20 0 GCADHN CCN(C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1 ZINC001063451464 1201194121 /nfs/dbraw/zinc/19/41/21/1201194121.db2.gz ZZAOMEQGZBZZOM-HRCADAONSA-N 0 3 381.517 0.923 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC4CC4)c3)C2)CC1 ZINC000611367744 1201233188 /nfs/dbraw/zinc/23/31/88/1201233188.db2.gz XBPJKLIIDVIOQX-GOSISDBHSA-N 0 3 388.516 0.859 20 0 GCADHN COC[C@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)OC ZINC000611507624 1201242494 /nfs/dbraw/zinc/24/24/94/1201242494.db2.gz SELGDBVJYKOTJW-HNNXBMFYSA-N 0 3 387.440 0.481 20 0 GCADHN Cn1cc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2ccccc2F)cn1 ZINC001079311839 1201251664 /nfs/dbraw/zinc/25/16/64/1201251664.db2.gz FKIWNYXQODHNMX-MUQADHOPSA-N 0 3 385.443 0.765 20 0 GCADHN C[C@@H]1CN(CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001079890802 1201259754 /nfs/dbraw/zinc/25/97/54/1201259754.db2.gz LNIWRGCXKQTQGU-IXYNUQLISA-N 0 3 386.504 0.934 20 0 GCADHN C[C@@H]1CN(Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001079951379 1201260220 /nfs/dbraw/zinc/26/02/20/1201260220.db2.gz JYYPQBDVLVOHRE-JOCBIADPSA-N 0 3 375.517 0.803 20 0 GCADHN CCN(C(=O)[C@H](C1CC1)N(C)C)C1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001079945789 1201260247 /nfs/dbraw/zinc/26/02/47/1201260247.db2.gz WELKLLHPWAPTKA-LEUOFYLZSA-N 0 3 379.501 0.437 20 0 GCADHN C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001079961161 1201261902 /nfs/dbraw/zinc/26/19/02/1201261902.db2.gz FDDWTCUKWPIXQH-SYQHCUMBSA-N 0 3 376.379 0.666 20 0 GCADHN CCN(C(=O)CN(C)C1CCC1)C1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001079966694 1201263005 /nfs/dbraw/zinc/26/30/05/1201263005.db2.gz FKJZQRHMWVPWSD-UCLAIMLFSA-N 0 3 379.501 0.582 20 0 GCADHN C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080180450 1201267827 /nfs/dbraw/zinc/26/78/27/1201267827.db2.gz KOIHTMQERSKKCL-IIZQIQNSSA-N 0 3 375.469 0.373 20 0 GCADHN C[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001080482959 1201275741 /nfs/dbraw/zinc/27/57/41/1201275741.db2.gz VPOZGROPDBBKFC-QCODTGAPSA-N 0 3 392.500 0.711 20 0 GCADHN CCN(C(=O)CN1CCC[C@H]1C)C1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001080558494 1201277705 /nfs/dbraw/zinc/27/77/05/1201277705.db2.gz VDTCRKSVRUHYEN-WXSAJPJJSA-N 0 3 379.501 0.582 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001081022610 1201293791 /nfs/dbraw/zinc/29/37/91/1201293791.db2.gz FFBWLMDIJFAMJD-OAGGEKHMSA-N 0 3 381.517 0.754 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2nnn(Cc3cc(C)on3)c2C)CC1 ZINC000512333535 1201294601 /nfs/dbraw/zinc/29/46/01/1201294601.db2.gz HAJZUJYTQVEMMS-ZDUSSCGKSA-N 0 3 375.477 0.687 20 0 GCADHN CO[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001081811262 1201304773 /nfs/dbraw/zinc/30/47/73/1201304773.db2.gz PHEASODZBWDMGP-JOCBIADPSA-N 0 3 383.452 0.628 20 0 GCADHN CO[C@@H]1CN(CCC2CC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001081977761 1201314081 /nfs/dbraw/zinc/31/40/81/1201314081.db2.gz STGSYXZEYRCIGD-AKHDSKFASA-N 0 3 381.517 0.482 20 0 GCADHN CCCCn1c(N)c(N(C(=O)CN[C@@H](CC)CO)C2CCCC2)c(=O)[nH]c1=O ZINC000727057617 1201331901 /nfs/dbraw/zinc/33/19/01/1201331901.db2.gz BKHCSGZCIPEJNQ-ZDUSSCGKSA-N 0 3 395.504 0.967 20 0 GCADHN CN(C(=S)NCCNS(C)(=O)=O)C1CCN(CCc2ccccn2)CC1 ZINC000727084289 1201333180 /nfs/dbraw/zinc/33/31/80/1201333180.db2.gz IHEIRFJJTLBKNG-UHFFFAOYSA-N 0 3 399.586 0.444 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C[C@H]1NCC(=O)N1CCC1 ZINC001082517498 1201336174 /nfs/dbraw/zinc/33/61/74/1201336174.db2.gz QDIOYBDYJUVKGW-BRSBDYLESA-N 0 3 385.512 0.823 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1NCc1nnc(C(C)(C)C)[nH]1 ZINC001082590070 1201338402 /nfs/dbraw/zinc/33/84/02/1201338402.db2.gz AGFIGFSMDWCMTB-KBUPBQIOSA-N 0 3 378.521 0.758 20 0 GCADHN C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCc1cncc(F)c1 ZINC001082651115 1201341665 /nfs/dbraw/zinc/34/16/65/1201341665.db2.gz JOILMNWKADFHDC-YYQUZTFQSA-N 0 3 378.448 0.970 20 0 GCADHN Cc1ncc(CN[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)cn1 ZINC001082651147 1201342017 /nfs/dbraw/zinc/34/20/17/1201342017.db2.gz LHTPURURAWFBDL-YYQUZTFQSA-N 0 3 375.473 0.535 20 0 GCADHN COc1ccc(CN[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)cn1 ZINC001082651272 1201343074 /nfs/dbraw/zinc/34/30/74/1201343074.db2.gz UEIWKTYHZCJFFX-DZUCGIPZSA-N 0 3 390.484 0.840 20 0 GCADHN COc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@H]2C)c(C)n1 ZINC001082658590 1201343646 /nfs/dbraw/zinc/34/36/46/1201343646.db2.gz MSMIPSCJOZLFNU-COWMOVNHSA-N 0 3 390.484 0.782 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082658625 1201343958 /nfs/dbraw/zinc/34/39/58/1201343958.db2.gz NTQCVFQVOWWEPR-DRRXZNNHSA-N 0 3 376.501 0.208 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082746672 1201344695 /nfs/dbraw/zinc/34/46/95/1201344695.db2.gz UZNJRPSWLAFZQB-WCXIOVBPSA-N 0 3 378.517 0.727 20 0 GCADHN CC(C)NC(=O)CNC(=S)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000727276788 1201353955 /nfs/dbraw/zinc/35/39/55/1201353955.db2.gz JFVOELVTMKQKAM-UHFFFAOYSA-N 0 3 377.558 0.923 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(C(C)(C)C)c2)CC1 ZINC000532565046 1201367733 /nfs/dbraw/zinc/36/77/33/1201367733.db2.gz RPUDAEKZFZAAGZ-OAHLLOKOSA-N 0 3 390.488 0.342 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCCNC(=O)C2)c1 ZINC000727943412 1201386727 /nfs/dbraw/zinc/38/67/27/1201386727.db2.gz CHSKHXGKZZKURP-UHFFFAOYSA-N 0 3 378.473 0.675 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000728060029 1201391564 /nfs/dbraw/zinc/39/15/64/1201391564.db2.gz MPFFQDUAZJTDFW-LBPRGKRZSA-N 0 3 381.454 0.223 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1 ZINC000728060462 1201392193 /nfs/dbraw/zinc/39/21/93/1201392193.db2.gz QUVJNUOUDUNSRP-LBPRGKRZSA-N 0 3 381.454 0.223 20 0 GCADHN Cc1nc(C)n(CCN2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447279 1201412562 /nfs/dbraw/zinc/41/25/62/1201412562.db2.gz HDVSONDAFHQOPJ-BNEJOLLZSA-N 0 3 376.505 0.147 20 0 GCADHN Cc1cc(C)n(CCN2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447466 1201412585 /nfs/dbraw/zinc/41/25/85/1201412585.db2.gz OROCWHSZMVNMMT-NCXUSEDFSA-N 0 3 375.517 0.752 20 0 GCADHN Cc1cn2ccnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@@H]3CCCN3C)c2n1 ZINC001006211359 1201414356 /nfs/dbraw/zinc/41/43/56/1201414356.db2.gz YBDDLWZSZGQTMF-WCVJEAGWSA-N 0 3 382.468 0.994 20 0 GCADHN CCn1c(=O)c2ccccc2n(CC(=O)N[C@H]2CCCN(CCOC)C2)c1=O ZINC000729982595 1201422352 /nfs/dbraw/zinc/42/23/52/1201422352.db2.gz AIYJTNKGFLRNQX-HNNXBMFYSA-N 0 3 388.468 0.410 20 0 GCADHN COCCN1CCC[C@H](NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)C1 ZINC000729981471 1201422369 /nfs/dbraw/zinc/42/23/69/1201422369.db2.gz XQIZGYZSZSUWPI-WFASDCNBSA-N 0 3 378.395 0.787 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(CCCN4CCCC4=O)C[C@H]32)C1 ZINC001084665141 1201427095 /nfs/dbraw/zinc/42/70/95/1201427095.db2.gz IVTFHSFYDLKLDN-YYIAUSFCSA-N 0 3 376.501 0.433 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(CCCN3CCCC3=O)C[C@H]21 ZINC001084665584 1201427484 /nfs/dbraw/zinc/42/74/84/1201427484.db2.gz HUUVUNIUQXWKRU-WCXIOVBPSA-N 0 3 376.501 0.256 20 0 GCADHN CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000730388933 1201448654 /nfs/dbraw/zinc/44/86/54/1201448654.db2.gz HBAOXRWESKCUFH-KRWDZBQOSA-N 0 3 387.484 0.504 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000730547952 1201455733 /nfs/dbraw/zinc/45/57/33/1201455733.db2.gz NXNWBWFULAWNSM-UHFFFAOYSA-N 0 3 389.481 0.469 20 0 GCADHN Cc1c(C(=O)NCC2N=NC(=S)N2C)nnn1-c1cccc2c1CCN(C)C2 ZINC000731474931 1201485804 /nfs/dbraw/zinc/48/58/04/1201485804.db2.gz GJPCJJAPZRBMQE-UHFFFAOYSA-N 0 3 398.496 0.911 20 0 GCADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)C1 ZINC000731478306 1201486352 /nfs/dbraw/zinc/48/63/52/1201486352.db2.gz AHDVYKZQGQUMOR-AWEZNQCLSA-N 0 3 395.463 0.709 20 0 GCADHN CC(C)(C)OC(=O)NCCOCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000732552412 1201548361 /nfs/dbraw/zinc/54/83/61/1201548361.db2.gz ASHDEAXEMLOFOQ-OAHLLOKOSA-N 0 3 398.504 0.468 20 0 GCADHN Cc1noc(CCCN2CC[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]32)n1 ZINC001085031095 1201550939 /nfs/dbraw/zinc/55/09/39/1201550939.db2.gz IHKQHCSZTTWTFI-FXUDXRNXSA-N 0 3 391.472 0.266 20 0 GCADHN CN(C)CCN1CC[C@]2(CCCN2C(=O)C2(C)CCS(=O)(=O)CC2)C1=O ZINC001273256101 1201552563 /nfs/dbraw/zinc/55/25/63/1201552563.db2.gz CYHWUNDCURNZSU-GOSISDBHSA-N 0 3 385.530 0.356 20 0 GCADHN CNC(=O)c1ccc(CN2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)cc1 ZINC001085034596 1201553329 /nfs/dbraw/zinc/55/33/29/1201553329.db2.gz AXSXKMCWDJTVAB-BGTYHANMSA-N 0 3 384.480 0.590 20 0 GCADHN Cn1nnc2cc(CN3CC[C@@H]4CCN(C(=O)[C@H]5C[C@H]5C(N)=O)C[C@@H]43)ccc21 ZINC001085034850 1201554008 /nfs/dbraw/zinc/55/40/08/1201554008.db2.gz SIUBFBKOWJYBSX-BSXFFOKHSA-N 0 3 382.468 0.513 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CCN(CCN4CCCC4=O)[C@H]3C2)C1 ZINC001085034883 1201554537 /nfs/dbraw/zinc/55/45/37/1201554537.db2.gz UWZANKBYVGKOIY-NCOADZHNSA-N 0 3 376.501 0.433 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)Cn3cnnc3[S@](C)=O)cc2)CC1 ZINC000732717700 1201556244 /nfs/dbraw/zinc/55/62/44/1201556244.db2.gz FMDFMYWEMITCCE-SANMLTNESA-N 0 3 376.486 0.796 20 0 GCADHN COc1cccc(OC)c1OC[C@H](O)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000732871345 1201566949 /nfs/dbraw/zinc/56/69/49/1201566949.db2.gz FENDXRMOWJRHKZ-IXDOHACOSA-N 0 3 380.485 0.975 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000733163041 1201579068 /nfs/dbraw/zinc/57/90/68/1201579068.db2.gz ATRNKKLURXFZPJ-INIZCTEOSA-N 0 3 379.505 0.962 20 0 GCADHN CC(C)(C)S(=O)(=O)CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000733349821 1201585367 /nfs/dbraw/zinc/58/53/67/1201585367.db2.gz AXWBVSPXNTVPLV-UHFFFAOYSA-N 0 3 388.534 0.149 20 0 GCADHN CN1CC[N@H+](C)CC(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000823784219 1201608397 /nfs/dbraw/zinc/60/83/97/1201608397.db2.gz WCQHHCHLQMMUOC-CQSZACIVSA-N 0 3 381.843 0.691 20 0 GCADHN CN1CC[N@@H+](C)CC(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1 ZINC000823784219 1201608400 /nfs/dbraw/zinc/60/84/00/1201608400.db2.gz WCQHHCHLQMMUOC-CQSZACIVSA-N 0 3 381.843 0.691 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000282576298 1201613780 /nfs/dbraw/zinc/61/37/80/1201613780.db2.gz VPULNCFLOWTLQS-SJLPKXTDSA-N 0 3 375.469 0.988 20 0 GCADHN CN1C(=O)c2ccc(S(=O)(=O)NCCN3CCN(C)C(C)(C)C3)cc2C1=O ZINC000282635972 1201616885 /nfs/dbraw/zinc/61/68/85/1201616885.db2.gz TUJNWRKSODDPIY-UHFFFAOYSA-N 0 3 394.497 0.217 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CC(NC(=O)NC)C3)cc2)CC1 ZINC000282669719 1201619941 /nfs/dbraw/zinc/61/99/41/1201619941.db2.gz CEYXVMZOOQUAHD-UHFFFAOYSA-N 0 3 388.516 0.647 20 0 GCADHN O=C(CNC[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCO1)NC1CCCC1 ZINC001273291977 1201622010 /nfs/dbraw/zinc/62/20/10/1201622010.db2.gz KGIBWLLMRXOYEK-FWCYYJLNSA-N 0 3 377.485 0.286 20 0 GCADHN O=C(CNC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCO1)NC1CCCC1 ZINC001273291978 1201624175 /nfs/dbraw/zinc/62/41/75/1201624175.db2.gz KGIBWLLMRXOYEK-PITCONLNSA-N 0 3 377.485 0.286 20 0 GCADHN CCC[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000177268103 1201628956 /nfs/dbraw/zinc/62/89/56/1201628956.db2.gz IDIPDUAYTWOMQL-SFHVURJKSA-N 0 3 380.533 0.502 20 0 GCADHN CN(CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)CC(C)(C)C ZINC001065628898 1201629259 /nfs/dbraw/zinc/62/92/59/1201629259.db2.gz DQERLODHLLOGRO-FWCYYJLNSA-N 0 3 393.528 0.731 20 0 GCADHN CC(C)C[C@H]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000177512309 1201632197 /nfs/dbraw/zinc/63/21/97/1201632197.db2.gz KRIPQVASMNWMJI-LJQANCHMSA-N 0 3 394.560 0.748 20 0 GCADHN O=C(CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCNC(=O)C1 ZINC001085204710 1201634582 /nfs/dbraw/zinc/63/45/82/1201634582.db2.gz FUNMUCSCVAOGQV-CWQOZTLDSA-N 0 3 388.512 0.564 20 0 GCADHN COc1cncc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 ZINC001085243099 1201647641 /nfs/dbraw/zinc/64/76/41/1201647641.db2.gz VIMYMIFXIOUWEK-MWQQHZPXSA-N 0 3 377.489 0.721 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000177863157 1201648942 /nfs/dbraw/zinc/64/89/42/1201648942.db2.gz RBCVLHUXSXXLBR-OAHLLOKOSA-N 0 3 376.505 0.621 20 0 GCADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000734486437 1201653080 /nfs/dbraw/zinc/65/30/80/1201653080.db2.gz MPZRXZOJDAHDED-XNINAAHTSA-N 0 3 383.514 0.497 20 0 GCADHN COc1c(C)cnc(CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1C ZINC000734663992 1201658195 /nfs/dbraw/zinc/65/81/95/1201658195.db2.gz SDIQQIFLTVTAAB-KRWDZBQOSA-N 0 3 391.516 0.913 20 0 GCADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cncn2C)O1 ZINC001085330588 1201669154 /nfs/dbraw/zinc/66/91/54/1201669154.db2.gz QLSKUCAYHDMBFN-VQHPVUNQSA-N 0 3 377.489 0.573 20 0 GCADHN COc1ccnc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC001085330809 1201670138 /nfs/dbraw/zinc/67/01/38/1201670138.db2.gz DAHJSPGLJXVQHH-WCXIOVBPSA-N 0 3 376.457 0.640 20 0 GCADHN Cn1cc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(=O)n(C)c1=O ZINC000735001850 1201670163 /nfs/dbraw/zinc/67/01/63/1201670163.db2.gz APIKMCHAAZBFPH-UHFFFAOYSA-N 0 3 399.451 0.034 20 0 GCADHN Cn1cc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000735038817 1201671236 /nfs/dbraw/zinc/67/12/36/1201671236.db2.gz YLZKNWBUELFSEM-UHFFFAOYSA-N 0 3 399.495 0.416 20 0 GCADHN Cn1cc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000735036016 1201673564 /nfs/dbraw/zinc/67/35/64/1201673564.db2.gz LFNMZFZXVFKCNF-GOSISDBHSA-N 0 3 399.495 0.193 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000735589970 1201692448 /nfs/dbraw/zinc/69/24/48/1201692448.db2.gz NCWUXHJCSMOBFY-IRXDYDNUSA-N 0 3 384.440 0.244 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1NC(C)=O ZINC000735586870 1201693436 /nfs/dbraw/zinc/69/34/36/1201693436.db2.gz DZFPESYUFMRBIB-HUUCEWRRSA-N 0 3 390.440 0.572 20 0 GCADHN COCCOc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735589295 1201693486 /nfs/dbraw/zinc/69/34/86/1201693486.db2.gz ZDLCTJTXEOVSMT-NVXWUHKLSA-N 0 3 377.441 0.630 20 0 GCADHN NC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000735590750 1201694340 /nfs/dbraw/zinc/69/43/40/1201694340.db2.gz SPXKZLUXTYNAAG-NEPJUHHUSA-N 0 3 380.832 0.357 20 0 GCADHN COCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735592151 1201694346 /nfs/dbraw/zinc/69/43/46/1201694346.db2.gz CEOXXIKAHDWAPW-JKSUJKDBSA-N 0 3 390.440 0.189 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1NC(C)=O ZINC000735590503 1201694790 /nfs/dbraw/zinc/69/47/90/1201694790.db2.gz RAPDRENJSCIRII-GJZGRUSLSA-N 0 3 390.440 0.572 20 0 GCADHN COC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735590957 1201694819 /nfs/dbraw/zinc/69/48/19/1201694819.db2.gz VIZFJRDCNJAMFS-HUUCEWRRSA-N 0 3 376.413 0.783 20 0 GCADHN COCCOc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000735596433 1201695475 /nfs/dbraw/zinc/69/54/75/1201695475.db2.gz SMFDFSPDYAQTII-GJZGRUSLSA-N 0 3 377.441 0.630 20 0 GCADHN CC(=O)Nc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1F ZINC000735594097 1201695479 /nfs/dbraw/zinc/69/54/79/1201695479.db2.gz LQMWKMAKEXBFGA-ZIAGYGMSSA-N 0 3 378.404 0.702 20 0 GCADHN Cc1nc(-c2ccccc2NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)no1 ZINC000735592829 1201695754 /nfs/dbraw/zinc/69/57/54/1201695754.db2.gz GFFIKOGTQGFCFU-KBPBESRZSA-N 0 3 385.424 0.963 20 0 GCADHN Cc1nc(-c2ccccc2NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000735592830 1201695810 /nfs/dbraw/zinc/69/58/10/1201695810.db2.gz GFFIKOGTQGFCFU-KGLIPLIRSA-N 0 3 385.424 0.963 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1C ZINC000735753524 1201701198 /nfs/dbraw/zinc/70/11/98/1201701198.db2.gz NCIYSJVUCMHREJ-ZIAGYGMSSA-N 0 3 382.486 0.936 20 0 GCADHN COCCN1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)C1 ZINC000735860120 1201704130 /nfs/dbraw/zinc/70/41/30/1201704130.db2.gz XPVILXWXSFJUDU-CQSZACIVSA-N 0 3 386.474 0.711 20 0 GCADHN CC(=O)N1C[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)Oc2ccccc21 ZINC000827838799 1201709020 /nfs/dbraw/zinc/70/90/20/1201709020.db2.gz NBMPRIGEYJVMKS-SFHVURJKSA-N 0 3 388.468 0.519 20 0 GCADHN CC(=O)N1C[C@H](C(=O)NCC(=O)NCCN2CCCCC2)Oc2ccccc21 ZINC000827838797 1201709154 /nfs/dbraw/zinc/70/91/54/1201709154.db2.gz NBMPRIGEYJVMKS-GOSISDBHSA-N 0 3 388.468 0.519 20 0 GCADHN CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000736130062 1201709434 /nfs/dbraw/zinc/70/94/34/1201709434.db2.gz AIRPKZSUOHQGFF-KRWDZBQOSA-N 0 3 388.468 0.528 20 0 GCADHN Cn1cc(N2C[C@@H](C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)CC2=O)cn1 ZINC000626115119 1201712948 /nfs/dbraw/zinc/71/29/48/1201712948.db2.gz GPJVSQAPYNKALM-PKOBYXMFSA-N 0 3 397.479 0.308 20 0 GCADHN CCOC(=O)NCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000736680066 1201716325 /nfs/dbraw/zinc/71/63/25/1201716325.db2.gz XBZUQLQQQIWVHR-UHFFFAOYSA-N 0 3 376.457 0.875 20 0 GCADHN CN(C)S(=O)(=O)N1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCCC1)C2 ZINC001273344389 1201718019 /nfs/dbraw/zinc/71/80/19/1201718019.db2.gz ZLYPPGCVSADKOZ-GOSISDBHSA-N 0 3 386.562 0.982 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)N1CCCCC1 ZINC000737138646 1201721935 /nfs/dbraw/zinc/72/19/35/1201721935.db2.gz KQSPNGOXOJRQOP-LLVKDONJSA-N 0 3 386.449 0.402 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1S(N)(=O)=O ZINC000737138505 1201721997 /nfs/dbraw/zinc/72/19/97/1201721997.db2.gz IGOBIRZPXOTSGJ-ZDUSSCGKSA-N 0 3 382.486 0.572 20 0 GCADHN CCc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1S(N)(=O)=O ZINC000737140313 1201722710 /nfs/dbraw/zinc/72/27/10/1201722710.db2.gz XEZQEQOWQMDCCV-ZDUSSCGKSA-N 0 3 396.513 0.826 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCCC(=O)OC)cc2)CC1 ZINC000737241534 1201724524 /nfs/dbraw/zinc/72/45/24/1201724524.db2.gz AOPVSDWGRPEWAH-UHFFFAOYSA-N 0 3 376.457 0.836 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)NC3(CCCCCC3)C2=O)CC1 ZINC000738161266 1201734747 /nfs/dbraw/zinc/73/47/47/1201734747.db2.gz PSHYPBKFJWUWJG-UHFFFAOYSA-N 0 3 391.516 0.829 20 0 GCADHN COC(=O)c1nn(CN2CCN(C(=O)CN3CCCC3)CC2)c(C)c1Cl ZINC000738161346 1201735068 /nfs/dbraw/zinc/73/50/68/1201735068.db2.gz QQBHZFLCSUTEGB-UHFFFAOYSA-N 0 3 383.880 0.829 20 0 GCADHN O=C(CCCc1ccccc1)N1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923601150 1201745279 /nfs/dbraw/zinc/74/52/79/1201745279.db2.gz KKDJRZOXBGUPEY-UHFFFAOYSA-N 0 3 380.514 0.304 20 0 GCADHN COCCN(CCN(C)C)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000741218288 1201763762 /nfs/dbraw/zinc/76/37/62/1201763762.db2.gz MOCBGTWERABOIN-UHFFFAOYSA-N 0 3 386.493 0.102 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c2ncccc12 ZINC000742255240 1201794797 /nfs/dbraw/zinc/79/47/97/1201794797.db2.gz SQPQCMFNTJKHAF-ZBFHGGJFSA-N 0 3 376.482 0.918 20 0 GCADHN Cn1cc(N2CC[C@@H](N[C@H]3C[C@@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)cn1 ZINC001086153337 1201806582 /nfs/dbraw/zinc/80/65/82/1201806582.db2.gz FOKDKQVPIPRDSA-BHMYGEIMSA-N 0 3 399.495 0.433 20 0 GCADHN COc1ccc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001086157356 1201807958 /nfs/dbraw/zinc/80/79/58/1201807958.db2.gz OOYIBKBMQZSUFP-JDVPTSSJSA-N 0 3 376.457 0.521 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(CCC(=O)OC)C2CCOCC2)C1 ZINC000743871805 1201824711 /nfs/dbraw/zinc/82/47/11/1201824711.db2.gz TVAQWNLZOSVLDY-OAHLLOKOSA-N 0 3 384.473 0.832 20 0 GCADHN Cc1nnc(-c2cccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c2)o1 ZINC000743913996 1201826048 /nfs/dbraw/zinc/82/60/48/1201826048.db2.gz JNQMXFCYAKQKOL-HZPDHXFCSA-N 0 3 385.424 0.963 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCO[C@@H](COC)C3)cc2)CC1 ZINC000743928116 1201829138 /nfs/dbraw/zinc/82/91/38/1201829138.db2.gz LDIITEAWDJFTME-GOSISDBHSA-N 0 3 390.484 0.641 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1 ZINC000743980603 1201831475 /nfs/dbraw/zinc/83/14/75/1201831475.db2.gz ZYBMSXLCVCNHKK-CQSZACIVSA-N 0 3 376.457 0.741 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCC[C@H]2C)ccc1C ZINC000743980378 1201831571 /nfs/dbraw/zinc/83/15/71/1201831571.db2.gz ZDNCPBPMJZGFCL-CYBMUJFWSA-N 0 3 382.486 0.442 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000743980248 1201831693 /nfs/dbraw/zinc/83/16/93/1201831693.db2.gz YHRXKEZJQFWRFA-ZDUSSCGKSA-N 0 3 387.440 0.624 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000743978584 1201831926 /nfs/dbraw/zinc/83/19/26/1201831926.db2.gz KZYVXOAFCQPODN-SNVBAGLBSA-N 0 3 389.424 0.907 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1 ZINC000743981603 1201832393 /nfs/dbraw/zinc/83/23/93/1201832393.db2.gz LJEOMWOTVGTQOX-AWEZNQCLSA-N 0 3 396.513 0.912 20 0 GCADHN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1 ZINC000743981562 1201832671 /nfs/dbraw/zinc/83/26/71/1201832671.db2.gz KNYFXZPKWOBSKL-CQSZACIVSA-N 0 3 397.497 0.646 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000744345250 1201840690 /nfs/dbraw/zinc/84/06/90/1201840690.db2.gz LWCXKVCONWLODC-AWEZNQCLSA-N 0 3 394.497 0.021 20 0 GCADHN Cn1cc(N2CCC[C@H](OC(=O)C3CC[C@H](C(F)(F)F)NC3=O)C2=O)cn1 ZINC000744692227 1201851218 /nfs/dbraw/zinc/85/12/18/1201851218.db2.gz NRRUYXWOBIEXEF-GRYCIOLGSA-N 0 3 388.346 0.916 20 0 GCADHN Cn1ccc(N2CCC[C@H](OC(=O)C3CC[C@H](C(F)(F)F)NC3=O)C2=O)n1 ZINC000744691228 1201851495 /nfs/dbraw/zinc/85/14/95/1201851495.db2.gz GUXANXJUFYFMCA-OUAUKWLOSA-N 0 3 388.346 0.916 20 0 GCADHN Cn1ccc(N2CC[C@@H](N[C@H]3C[C@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001086433302 1201873820 /nfs/dbraw/zinc/87/38/20/1201873820.db2.gz SQUBWBIRJXNLHC-PSKDEXIXSA-N 0 3 399.495 0.433 20 0 GCADHN COCC[S@](=O)Cc1cccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000746044680 1201896886 /nfs/dbraw/zinc/89/68/86/1201896886.db2.gz BFPVCHKTHFIXQO-RXAIFQJESA-N 0 3 395.525 0.978 20 0 GCADHN COCC[S@@](=O)Cc1cccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000746044681 1201897203 /nfs/dbraw/zinc/89/72/03/1201897203.db2.gz BFPVCHKTHFIXQO-YVORESIASA-N 0 3 395.525 0.978 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1=O ZINC000746194303 1201902417 /nfs/dbraw/zinc/90/24/17/1201902417.db2.gz MVRVCASRQHWFCK-HUUCEWRRSA-N 0 3 382.505 0.770 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1=O ZINC000746237960 1201904466 /nfs/dbraw/zinc/90/44/66/1201904466.db2.gz 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CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000189778178 1201909700 /nfs/dbraw/zinc/90/97/00/1201909700.db2.gz ANIYISFUGCUBSM-RTBURBONSA-N 0 3 392.544 0.524 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000189778145 1201909956 /nfs/dbraw/zinc/90/99/56/1201909956.db2.gz ANIYISFUGCUBSM-MOPGFXCFSA-N 0 3 392.544 0.524 20 0 GCADHN CCOC(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000766344129 1201911221 /nfs/dbraw/zinc/91/12/21/1201911221.db2.gz PSSVLAQALVVVGL-INIZCTEOSA-N 0 3 380.489 0.620 20 0 GCADHN O=C(CC1CCCCC1)NCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103121694 1201917277 /nfs/dbraw/zinc/91/72/77/1201917277.db2.gz LHWPLVREGLMLFZ-UHFFFAOYSA-N 0 3 378.517 0.840 20 0 GCADHN CCn1c2ccccc2n(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1=O ZINC000103122813 1201917702 /nfs/dbraw/zinc/91/77/02/1201917702.db2.gz ULHDRVQJGLEEED-UHFFFAOYSA-N 0 3 399.495 0.590 20 0 GCADHN CC(C)CN1N=C(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC1=O ZINC000766371714 1201920998 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/nfs/dbraw/zinc/04/06/65/1202040665.db2.gz KKLFUHCCGJCNNW-BGTYHANMSA-N 0 3 380.533 0.733 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n(C)cn1)C2 ZINC001109416593 1202042912 /nfs/dbraw/zinc/04/29/12/1202042912.db2.gz NABWLYIXYLVTGK-AESZEHBQSA-N 0 3 378.473 0.149 20 0 GCADHN CN1CCN(CCNC(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000769085486 1202045736 /nfs/dbraw/zinc/04/57/36/1202045736.db2.gz BHAUMOZEIOTLSX-UHFFFAOYSA-N 0 3 383.537 0.339 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)C2 ZINC001109420989 1202045744 /nfs/dbraw/zinc/04/57/44/1202045744.db2.gz WPKOLZXYYZSJMP-NYTXWWLZSA-N 0 3 375.425 0.360 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1ccnc(OC)c1)C2 ZINC001109443764 1202052580 /nfs/dbraw/zinc/05/25/80/1202052580.db2.gz DJPQUMPZLYUBSP-QZWWFDLISA-N 0 3 379.457 0.336 20 0 GCADHN CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCOC(C)C)N(C)C ZINC001109443906 1202052614 /nfs/dbraw/zinc/05/26/14/1202052614.db2.gz KNFCFTLVRXHIJE-XDNAFOTISA-N 0 3 382.549 0.979 20 0 GCADHN CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001109459644 1202056212 /nfs/dbraw/zinc/05/62/12/1202056212.db2.gz XVOMMSLSLXANFB-KBMXLJTQSA-N 0 3 378.498 0.264 20 0 GCADHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@@H]1CCCO1 ZINC001109466064 1202057013 /nfs/dbraw/zinc/05/70/13/1202057013.db2.gz HVJVQMMREPCBPK-QZWWFDLISA-N 0 3 380.533 0.733 20 0 GCADHN O=C(CN1CCCCC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO[C@@H]1CCOC1 ZINC001109484127 1202059351 /nfs/dbraw/zinc/05/93/51/1202059351.db2.gz HEEIUJVCZJZWRZ-BDXSIMOUSA-N 0 3 379.501 0.916 20 0 GCADHN CN(CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1CCC3)C2)S(C)(=O)=O ZINC001109478298 1202059958 /nfs/dbraw/zinc/05/99/58/1202059958.db2.gz HJMAHOLJLOPBQH-UGFHNGPFSA-N 0 3 381.502 0.125 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000769587473 1202063641 /nfs/dbraw/zinc/06/36/41/1202063641.db2.gz SFHCDUUDZBSKAX-SFHVURJKSA-N 0 3 394.541 0.868 20 0 GCADHN CCN(CCO)CCNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000769635687 1202064710 /nfs/dbraw/zinc/06/47/10/1202064710.db2.gz NTNQIPVERJBMMU-UHFFFAOYSA-N 0 3 396.513 0.278 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cccnc1)C2 ZINC001109494653 1202065815 /nfs/dbraw/zinc/06/58/15/1202065815.db2.gz KFRNGAPGDFJOQU-XWSJACJDSA-N 0 3 377.485 0.760 20 0 GCADHN NC(=O)c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@H]2CCOC2)o1 ZINC001109503912 1202067636 /nfs/dbraw/zinc/06/76/36/1202067636.db2.gz YSCURLWEJMUZEO-QPSCCSFWSA-N 0 3 377.441 0.909 20 0 GCADHN CCOC(=O)C1=C(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)NC(=O)N[C@@H]1C ZINC000769798334 1202072302 /nfs/dbraw/zinc/07/23/02/1202072302.db2.gz AHLAIFIESBWEME-FMKPAKJESA-N 0 3 380.489 0.738 20 0 GCADHN Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@H]2CCOC2)ncc1=O ZINC001109541977 1202073867 /nfs/dbraw/zinc/07/38/67/1202073867.db2.gz YHLFGPIREPMWHB-AESZEHBQSA-N 0 3 376.457 0.311 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)c(=O)cn1)C2 ZINC001109541926 1202073913 /nfs/dbraw/zinc/07/39/13/1202073913.db2.gz VNMYQLDWRFRBMU-AIANPOQGSA-N 0 3 378.473 0.149 20 0 GCADHN CCn1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)COCC(C)C)nn1 ZINC001109545641 1202077970 /nfs/dbraw/zinc/07/79/70/1202077970.db2.gz GKRWMXHGXUNFAQ-OWSLCNJRSA-N 0 3 379.505 0.596 20 0 GCADHN CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1ncn(C)c1=O)C2 ZINC001109555703 1202078304 /nfs/dbraw/zinc/07/83/04/1202078304.db2.gz BONUDAPVKUMWGS-IKGGRYGDSA-N 0 3 379.505 0.756 20 0 GCADHN CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(C)cc(C)c1 ZINC001109563378 1202080864 /nfs/dbraw/zinc/08/08/64/1202080864.db2.gz RZYFVHXXMHJADZ-IKGGRYGDSA-N 0 3 380.514 0.579 20 0 GCADHN C[C@H](CNC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)CN1CCN(C)CC1 ZINC000770033307 1202082960 /nfs/dbraw/zinc/08/29/60/1202082960.db2.gz YLOQONIAJHBSHU-KZNAEPCWSA-N 0 3 392.548 0.759 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc(C)no1)C2 ZINC001109583443 1202085071 /nfs/dbraw/zinc/08/50/71/1202085071.db2.gz VHYOJBFFSFZNJX-WCVJEAGWSA-N 0 3 382.461 0.056 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)CC1 ZINC000770108501 1202085315 /nfs/dbraw/zinc/08/53/15/1202085315.db2.gz AFTXDAQFSPKBKC-OAHLLOKOSA-N 0 3 391.534 0.483 20 0 GCADHN COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C2 ZINC001109587718 1202085834 /nfs/dbraw/zinc/08/58/34/1202085834.db2.gz WLJDBCKTQCNCFG-KBXIAJHMSA-N 0 3 378.473 0.956 20 0 GCADHN COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C2 ZINC001109587718 1202085837 /nfs/dbraw/zinc/08/58/37/1202085837.db2.gz WLJDBCKTQCNCFG-KBXIAJHMSA-N 0 3 378.473 0.956 20 0 GCADHN CNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001109590033 1202087139 /nfs/dbraw/zinc/08/71/39/1202087139.db2.gz PDOCLWLEKJEYTF-KBXIAJHMSA-N 0 3 379.505 0.426 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCCCC1)C2 ZINC001109592361 1202087147 /nfs/dbraw/zinc/08/71/47/1202087147.db2.gz PVLNBKAVKKKGQZ-UGUYLWEFSA-N 0 3 378.477 0.061 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@@H](N[C@@H]2COC[C@H]2O)C[C@H]1C(=O)N1CCSC1 ZINC001170013868 1202094131 /nfs/dbraw/zinc/09/41/31/1202094131.db2.gz LQGGZNVWWMVPMG-RFQIPJPRSA-N 0 3 387.502 0.247 20 0 GCADHN O=C(Cc1cnoc1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001109635451 1202095731 /nfs/dbraw/zinc/09/57/31/1202095731.db2.gz CRWNRPSCZVWIQA-MQYQWHSLSA-N 0 3 377.363 0.878 20 0 GCADHN O=C(Cc1cnoc1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001109635452 1202095906 /nfs/dbraw/zinc/09/59/06/1202095906.db2.gz CRWNRPSCZVWIQA-RFGFWPKPSA-N 0 3 377.363 0.878 20 0 GCADHN C[C@@H](C(=O)NC(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001109688558 1202104621 /nfs/dbraw/zinc/10/46/21/1202104621.db2.gz VTXUMLITGDSAJP-JAAHAHCPSA-N 0 3 378.408 0.261 20 0 GCADHN CC(C)CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001109688499 1202104680 /nfs/dbraw/zinc/10/46/80/1202104680.db2.gz RYTWVQGMPCPHFJ-WXHSDQCUSA-N 0 3 380.424 0.366 20 0 GCADHN Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO[C@H]1CCOC1 ZINC001109701764 1202107386 /nfs/dbraw/zinc/10/73/86/1202107386.db2.gz DSYSZXWVXURSIN-QZWWFDLISA-N 0 3 375.469 0.916 20 0 GCADHN CCc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)COCCOC)ccn1C ZINC001109718404 1202107742 /nfs/dbraw/zinc/10/77/42/1202107742.db2.gz GNETYNMWDHNMPQ-RRIFGTCXSA-N 0 3 379.501 0.947 20 0 GCADHN COC(=O)Cn1cc([C@H](C)OC(=O)C2CC[C@H](C(F)(F)F)NC2=O)nn1 ZINC000770700381 1202109336 /nfs/dbraw/zinc/10/93/36/1202109336.db2.gz JYIWDCUGEUNLIX-QXFUBDJGSA-N 0 3 378.307 0.512 20 0 GCADHN C[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC2(CCN(CCOCCO)CC2)O1 ZINC001111550983 1202110715 /nfs/dbraw/zinc/11/07/15/1202110715.db2.gz PGWJEEXVTQXFHS-MLHJIOFPSA-N 0 3 382.501 0.645 20 0 GCADHN COc1cccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1F ZINC000770736056 1202111264 /nfs/dbraw/zinc/11/12/64/1202111264.db2.gz XHNFDFOSKQCVLQ-CQSZACIVSA-N 0 3 394.447 0.832 20 0 GCADHN CCCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC[C@H](C)C1)C2 ZINC001109719109 1202111458 /nfs/dbraw/zinc/11/14/58/1202111458.db2.gz VHFDBAHIFAIDPN-FZKCQIBNSA-N 0 3 379.505 0.286 20 0 GCADHN COc1cccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1F ZINC000770736054 1202111464 /nfs/dbraw/zinc/11/14/64/1202111464.db2.gz XHNFDFOSKQCVLQ-AWEZNQCLSA-N 0 3 394.447 0.832 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC(=O)OC(C)C)c2)CC1 ZINC000770751712 1202112377 /nfs/dbraw/zinc/11/23/77/1202112377.db2.gz PDAPQPVVUKHUSC-UHFFFAOYSA-N 0 3 376.457 0.835 20 0 GCADHN CO[C@@H]1Cc2ccc(NC(=O)C(=O)N[C@H](C)CCN3CCN(C)CC3)cc2C1 ZINC000770804577 1202114071 /nfs/dbraw/zinc/11/40/71/1202114071.db2.gz XCMPHIVFRKZOBQ-DNVCBOLYSA-N 0 3 388.512 0.881 20 0 GCADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)Nc1cc(C)nn1C)N(C)C ZINC001109734414 1202114778 /nfs/dbraw/zinc/11/47/78/1202114778.db2.gz QNQPUXMADIXIOC-UGUYLWEFSA-N 0 3 376.505 0.729 20 0 GCADHN Cc1nnc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C3)[n-]1 ZINC001109735649 1202115426 /nfs/dbraw/zinc/11/54/26/1202115426.db2.gz QFRMGUPLVSSXHQ-SIXLDLHFSA-N 0 3 376.505 0.836 20 0 GCADHN CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CC(F)(F)C1 ZINC001109772886 1202120976 /nfs/dbraw/zinc/12/09/76/1202120976.db2.gz WVGZFMYYDVWFRV-AGIUHOORSA-N 0 3 380.461 0.149 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@@H](NCC2OCCO2)C[C@H]1C(=O)N1CCSC1 ZINC001170022571 1202127660 /nfs/dbraw/zinc/12/76/60/1202127660.db2.gz QRPSLWXFASWWRH-STQMWFEESA-N 0 3 387.502 0.860 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1C1CCOCC1)C2 ZINC001109825192 1202129719 /nfs/dbraw/zinc/12/97/19/1202129719.db2.gz ZDTYBZXLUBWFQQ-QZWWFDLISA-N 0 3 378.473 0.577 20 0 GCADHN CCOCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C2 ZINC001109816227 1202129846 /nfs/dbraw/zinc/12/98/46/1202129846.db2.gz LOOUQFPZVZGGTE-UGUYLWEFSA-N 0 3 375.535 0.708 20 0 GCADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCN(C3CC3)C2)C1=O ZINC000771309709 1202134529 /nfs/dbraw/zinc/13/45/29/1202134529.db2.gz HBWFOBGVJXYBNV-XCLFUZPHSA-N 0 3 386.452 0.815 20 0 GCADHN CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001109849528 1202135796 /nfs/dbraw/zinc/13/57/96/1202135796.db2.gz VTQFFSRBDLVYIF-BDXSIMOUSA-N 0 3 376.501 0.979 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000771343139 1202137355 /nfs/dbraw/zinc/13/73/55/1202137355.db2.gz SRTLLHMVNGJEGP-INIZCTEOSA-N 0 3 384.521 0.624 20 0 GCADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)Nc1cc(C)nn1C ZINC001109868640 1202140406 /nfs/dbraw/zinc/14/04/06/1202140406.db2.gz ZPANYNMMYCUHRN-PMPSAXMXSA-N 0 3 376.505 0.730 20 0 GCADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)NC(C)(C)C1=O ZINC001109868461 1202140491 /nfs/dbraw/zinc/14/04/91/1202140491.db2.gz RTCBLZGKYWPXEK-ILXRZTDVSA-N 0 3 379.505 0.380 20 0 GCADHN NC(=O)c1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@@H]2CCOC2)c1 ZINC001109886970 1202143757 /nfs/dbraw/zinc/14/37/57/1202143757.db2.gz JHGVVSAMVSMSOF-AIANPOQGSA-N 0 3 376.457 0.644 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnccn1)C2 ZINC001109931488 1202154791 /nfs/dbraw/zinc/15/47/91/1202154791.db2.gz ZLJIVBZWHPMSFP-SQNIBIBYSA-N 0 3 375.473 0.283 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(=O)NCC1CC1)C2 ZINC001109944475 1202155785 /nfs/dbraw/zinc/15/57/85/1202155785.db2.gz IMYZCQACUZFNQP-OWSLCNJRSA-N 0 3 381.517 0.658 20 0 GCADHN CCNC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001109994993 1202170101 /nfs/dbraw/zinc/17/01/01/1202170101.db2.gz LOUQTUOXTXYIIG-NCOADZHNSA-N 0 3 377.489 0.272 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)CC1 ZINC000772002928 1202171630 /nfs/dbraw/zinc/17/16/30/1202171630.db2.gz JYMHCRFOQYHKIJ-QGZVFWFLSA-N 0 3 379.505 0.986 20 0 GCADHN OCCCCN1CCN(c2cc(N3CCN(CCCCO)CC3)ncn2)CC1 ZINC000772085193 1202173693 /nfs/dbraw/zinc/17/36/93/1202173693.db2.gz XQPOGGUNCMIKSY-UHFFFAOYSA-N 0 3 392.548 0.266 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1)C2 ZINC001110032753 1202177767 /nfs/dbraw/zinc/17/77/67/1202177767.db2.gz YWPQRABOONGDML-NEPXVJNWSA-N 0 3 378.469 0.811 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000787676518 1205397513 /nfs/dbraw/zinc/39/75/13/1205397513.db2.gz OJSLRCHLHUSQDY-HUUCEWRRSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000787751014 1205399748 /nfs/dbraw/zinc/39/97/48/1205399748.db2.gz JMAJFDMPKURXNY-NJAFHUGGSA-N 0 3 391.516 0.825 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000787751015 1205399867 /nfs/dbraw/zinc/39/98/67/1205399867.db2.gz JMAJFDMPKURXNY-NXHRZFHOSA-N 0 3 391.516 0.825 20 0 GCADHN COC(=O)[C@H](O)C1CCN([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787732711 1205401536 /nfs/dbraw/zinc/40/15/36/1205401536.db2.gz ZHJYMUSNGIUCFS-KHYOSLBOSA-N 0 3 386.489 0.993 20 0 GCADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c1 ZINC000787851167 1205404846 /nfs/dbraw/zinc/40/48/46/1205404846.db2.gz KBILXCXAEQQSCM-CQSZACIVSA-N 0 3 396.513 0.202 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)NCc2ccon2)[C@H](c2ccccc2)C1 ZINC000787853294 1205404858 /nfs/dbraw/zinc/40/48/58/1205404858.db2.gz XXJKVRIPGSSUKZ-SFHVURJKSA-N 0 3 385.468 0.786 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCc3ccccc3OC2)CC1 ZINC000787903966 1205406204 /nfs/dbraw/zinc/40/62/04/1205406204.db2.gz PHLRBOJLLABHFO-GOSISDBHSA-N 0 3 388.512 0.640 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CC1 ZINC000787905808 1205406736 /nfs/dbraw/zinc/40/67/36/1205406736.db2.gz ZJQXPWNLQRZIBG-QGZVFWFLSA-N 0 3 396.532 0.132 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCc3c(F)cccc3C2)CC1 ZINC000787911813 1205407601 /nfs/dbraw/zinc/40/76/01/1205407601.db2.gz QNLZIQYCDIKJCT-UHFFFAOYSA-N 0 3 376.476 0.854 20 0 GCADHN C[C@H](Cc1ccco1)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000787959582 1205409814 /nfs/dbraw/zinc/40/98/14/1205409814.db2.gz GGACJHSUHUOUNH-GDBMZVCRSA-N 0 3 378.473 0.386 20 0 GCADHN CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000788243319 1205417147 /nfs/dbraw/zinc/41/71/47/1205417147.db2.gz LOFURYYCFYNQPA-CXAGYDPISA-N 0 3 386.518 0.277 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)CCSC1 ZINC000788248885 1205417303 /nfs/dbraw/zinc/41/73/03/1205417303.db2.gz WMXFQIAHLRKSSV-GOSISDBHSA-N 0 3 388.497 0.437 20 0 GCADHN COc1c(C)cnc(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)c1C ZINC000788254235 1205417412 /nfs/dbraw/zinc/41/74/12/1205417412.db2.gz SSDDGZXSRXCSER-GOSISDBHSA-N 0 3 380.514 0.877 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000788244307 1205417440 /nfs/dbraw/zinc/41/74/40/1205417440.db2.gz NOJBUQQHTAJGMM-KRWDZBQOSA-N 0 3 386.518 0.277 20 0 GCADHN CCOC(=O)N1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000788255912 1205417502 /nfs/dbraw/zinc/41/75/02/1205417502.db2.gz VLUMEYCRXKVWCU-QGZVFWFLSA-N 0 3 386.518 0.231 20 0 GCADHN CN(CCNC(=O)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000788287657 1205418781 /nfs/dbraw/zinc/41/87/81/1205418781.db2.gz CLYSXIKEMZPBEQ-UHFFFAOYSA-N 0 3 382.505 0.960 20 0 GCADHN Cc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000788401044 1205422832 /nfs/dbraw/zinc/42/28/32/1205422832.db2.gz JFAWHIFSCWWRJA-RYRKJORJSA-N 0 3 375.469 0.858 20 0 GCADHN CCOC(=O)[C@@H]1[C@H](NC[C@H]2CCS(=O)(=O)C2)CCN1C(=O)OC(C)(C)C ZINC000788692027 1205427841 /nfs/dbraw/zinc/42/78/41/1205427841.db2.gz OWCLRTZIUWLYSK-MCIONIFRSA-N 0 3 390.502 0.952 20 0 GCADHN O=C(NC[C@@H]1CCN(c2ccccc2)C1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000788812820 1205430051 /nfs/dbraw/zinc/43/00/51/1205430051.db2.gz FWFVSEAAFIGGAU-QXAKKESOSA-N 0 3 386.496 0.609 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCCCC1 ZINC000788786070 1205430580 /nfs/dbraw/zinc/43/05/80/1205430580.db2.gz VRIITNMSUXZQRC-KBPBESRZSA-N 0 3 378.439 0.977 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000788887186 1205431691 /nfs/dbraw/zinc/43/16/91/1205431691.db2.gz RNLSQAADADMJHT-OAHLLOKOSA-N 0 3 379.482 0.927 20 0 GCADHN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000789463624 1205440959 /nfs/dbraw/zinc/44/09/59/1205440959.db2.gz ODZUAWUWLPVOBC-UHFFFAOYSA-N 0 3 393.875 0.749 20 0 GCADHN COCC(C)(C)NCC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000772739647 1205442363 /nfs/dbraw/zinc/44/23/63/1205442363.db2.gz BVSYATFRYDIWQV-GOSISDBHSA-N 0 3 378.429 0.508 20 0 GCADHN COCC(C)(C)NCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000772740004 1205443052 /nfs/dbraw/zinc/44/30/52/1205443052.db2.gz GXKNBVFQNJKKKQ-LJQANCHMSA-N 0 3 376.457 0.976 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(O)CCO[C@H]3C)cc2)CC1 ZINC000789808897 1205449251 /nfs/dbraw/zinc/44/92/51/1205449251.db2.gz FHGILVDNZATKIC-MGPUTAFESA-N 0 3 390.484 0.423 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(C)CCc1ccccc1F)CN1CCN(C)CC1 ZINC000790182292 1205458043 /nfs/dbraw/zinc/45/80/43/1205458043.db2.gz AMUDRTASPHXNPW-MRXNPFEDSA-N 0 3 378.492 0.826 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000790191271 1205458251 /nfs/dbraw/zinc/45/82/51/1205458251.db2.gz MRETUCYDABVATB-WZQKQDCOSA-N 0 3 388.578 0.040 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000790191270 1205458396 /nfs/dbraw/zinc/45/83/96/1205458396.db2.gz MRETUCYDABVATB-QWXGXRTQSA-N 0 3 388.578 0.040 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H](C)CC2(C)OCCO2)CC1 ZINC000790207641 1205458731 /nfs/dbraw/zinc/45/87/31/1205458731.db2.gz BPJNVSDCZPHEGI-IAGOWNOFSA-N 0 3 398.548 0.282 20 0 GCADHN Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000790183645 1205459243 /nfs/dbraw/zinc/45/92/43/1205459243.db2.gz GQSGZPZZMOMJKP-MSOLQXFVSA-N 0 3 390.528 0.878 20 0 GCADHN Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000790183648 1205459285 /nfs/dbraw/zinc/45/92/85/1205459285.db2.gz GQSGZPZZMOMJKP-ZWKOTPCHSA-N 0 3 390.528 0.878 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)COc2ccccc2)CC1 ZINC000790210471 1205459352 /nfs/dbraw/zinc/45/93/52/1205459352.db2.gz UFOTZFCZMRIBQV-QZTJIDSGSA-N 0 3 390.528 0.960 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(CC2CCOCC2)OC)CC1 ZINC000790211062 1205459426 /nfs/dbraw/zinc/45/94/26/1205459426.db2.gz XVNMPSBGVNOKSN-INIZCTEOSA-N 0 3 384.521 0.193 20 0 GCADHN CCNS(=O)(=O)CCNC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000790328047 1205461926 /nfs/dbraw/zinc/46/19/26/1205461926.db2.gz YFWLLYNAXQMPEN-UHFFFAOYSA-N 0 3 386.518 0.708 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000790496006 1205466251 /nfs/dbraw/zinc/46/62/51/1205466251.db2.gz XUEZXUARYBCXJY-KKUMJFAQSA-N 0 3 396.488 0.091 20 0 GCADHN C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nnnn1C1CC1 ZINC000790720266 1205470068 /nfs/dbraw/zinc/47/00/68/1205470068.db2.gz YGGSLUSNLMAOBQ-JSGCOSHPSA-N 0 3 376.465 0.017 20 0 GCADHN CN(C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)[C@H]1CCCN(C)C1 ZINC000791370537 1205476501 /nfs/dbraw/zinc/47/65/01/1205476501.db2.gz GPPKCIUPCRDCFY-SWLSCSKDSA-N 0 3 380.876 0.866 20 0 GCADHN N=C(N)N(c1ccc(N2CCOCC2)cc1)c1ccc(CS(N)(=O)=O)cn1 ZINC001170165356 1205486632 /nfs/dbraw/zinc/48/66/32/1205486632.db2.gz BWIOZHDMBZKQNH-UHFFFAOYSA-N 0 3 390.469 0.738 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1ccccc1F)C2 ZINC001110097782 1205490579 /nfs/dbraw/zinc/49/05/79/1205490579.db2.gz VFYRHUMMJMDZCX-OQUILHJVSA-N 0 3 379.432 0.284 20 0 GCADHN COc1c(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc(Cl)cc1C(N)=O ZINC000792996140 1205495514 /nfs/dbraw/zinc/49/55/14/1205495514.db2.gz KIDILBXVXHQFHB-SNVBAGLBSA-N 0 3 382.848 0.987 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NCc2ccn(-c3ccccc3)n2)CC1 ZINC000793669796 1205502190 /nfs/dbraw/zinc/50/21/90/1205502190.db2.gz NIULXAVRWFCIOQ-UHFFFAOYSA-N 0 3 385.468 0.716 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000793675401 1205502439 /nfs/dbraw/zinc/50/24/39/1205502439.db2.gz OGSXXADIYULAKG-CKUJCDMFSA-N 0 3 381.473 0.204 20 0 GCADHN C[C@H](COc1ccccc1)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000793689114 1205502905 /nfs/dbraw/zinc/50/29/05/1205502905.db2.gz XZVCSPANPGEKQG-MRXNPFEDSA-N 0 3 376.501 0.712 20 0 GCADHN O=C(NCc1ccn(-c2ccccc2)n1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793655565 1205502918 /nfs/dbraw/zinc/50/29/18/1205502918.db2.gz JLKIPOPSMDWRNA-ROUUACIJSA-N 0 3 383.452 0.468 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)N1CCCCC1 ZINC000793708547 1205502924 /nfs/dbraw/zinc/50/29/24/1205502924.db2.gz IJJSWOMUXYYIOA-LPHOPBHVSA-N 0 3 398.573 0.301 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793712196 1205502995 /nfs/dbraw/zinc/50/29/95/1205502995.db2.gz LSBUOIJEUWRZGF-STQMWFEESA-N 0 3 392.422 0.599 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)N1CCCCC1 ZINC000793713898 1205503019 /nfs/dbraw/zinc/50/30/19/1205503019.db2.gz PRRRSCRZKNJRDL-FUHWJXTLSA-N 0 3 386.496 0.894 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2F)CC1)N1CCCCC1 ZINC000793713947 1205503030 /nfs/dbraw/zinc/50/30/30/1205503030.db2.gz QCFTYUQNDARQNE-HNNXBMFYSA-N 0 3 377.464 0.860 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1)N1CCCCC1 ZINC000793714334 1205503106 /nfs/dbraw/zinc/50/31/06/1205503106.db2.gz DRARBFOCRCODHB-MRXNPFEDSA-N 0 3 376.505 0.055 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)NC[C@H](C)N3CCCCC3)CC2)n1 ZINC000793714373 1205503110 /nfs/dbraw/zinc/50/31/10/1205503110.db2.gz QTOMDBZXFHXOOU-AWEZNQCLSA-N 0 3 394.545 0.740 20 0 GCADHN CCOC(=O)N1CCN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000793720765 1205503360 /nfs/dbraw/zinc/50/33/60/1205503360.db2.gz UFXXLYUXEKMUNH-KRWDZBQOSA-N 0 3 390.484 0.576 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CCN1CCOC ZINC000793720791 1205503471 /nfs/dbraw/zinc/50/34/71/1205503471.db2.gz HRJLZRHOYMQAAE-ZWKOTPCHSA-N 0 3 382.549 0.936 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)N1CCCCC1 ZINC000793698487 1205503951 /nfs/dbraw/zinc/50/39/51/1205503951.db2.gz JSSBTWHWBOJPPD-RDJZCZTQSA-N 0 3 378.517 0.884 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)N1CCCCC1 ZINC000793701304 1205504455 /nfs/dbraw/zinc/50/44/55/1205504455.db2.gz PJRPWADIEROVCW-HUUCEWRRSA-N 0 3 390.488 0.022 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCCCC1 ZINC000793707316 1205504667 /nfs/dbraw/zinc/50/46/67/1205504667.db2.gz GJKLFMIFRKCSMB-KRWDZBQOSA-N 0 3 386.496 0.962 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1)N1CCCCC1 ZINC000793706326 1205504687 /nfs/dbraw/zinc/50/46/87/1205504687.db2.gz GKCMUVNZWPEATF-SQNIBIBYSA-N 0 3 380.533 0.737 20 0 GCADHN O=C(NCc1cccc2c1OCCCO2)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793738606 1205505515 /nfs/dbraw/zinc/50/55/15/1205505515.db2.gz WJRATNHDZLKMAK-CVEARBPZSA-N 0 3 389.452 0.444 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793820693 1205507495 /nfs/dbraw/zinc/50/74/95/1205507495.db2.gz WIZSMUGLSOSRDA-LLGFUMIMSA-N 0 3 398.463 0.761 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000793818219 1205507605 /nfs/dbraw/zinc/50/76/05/1205507605.db2.gz VVWWAIMLXMELHB-INIZCTEOSA-N 0 3 383.489 0.405 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccco1 ZINC000793850350 1205507725 /nfs/dbraw/zinc/50/77/25/1205507725.db2.gz XEDNRTALYJOPIY-GVDBMIGSSA-N 0 3 392.500 0.758 20 0 GCADHN CN(CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1F ZINC000793828719 1205507817 /nfs/dbraw/zinc/50/78/17/1205507817.db2.gz RHUPJAPSGSMKMB-CVEARBPZSA-N 0 3 392.475 0.748 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccco1 ZINC000793850351 1205507850 /nfs/dbraw/zinc/50/78/50/1205507850.db2.gz XEDNRTALYJOPIY-IXDOHACOSA-N 0 3 392.500 0.758 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(OC)c1 ZINC000793865429 1205508215 /nfs/dbraw/zinc/50/82/15/1205508215.db2.gz SPAVMYFINBGJAM-DOTOQJQBSA-N 0 3 391.468 0.342 20 0 GCADHN CN(CCNC(=O)C(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C1CC1 ZINC000793936672 1205510361 /nfs/dbraw/zinc/51/03/61/1205510361.db2.gz MFADLTLEHWXMHE-OKILXGFUSA-N 0 3 380.489 0.522 20 0 GCADHN CN(C[C@@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1)C(=O)OC(C)(C)C ZINC000793937750 1205510755 /nfs/dbraw/zinc/51/07/55/1205510755.db2.gz QDLFEKYYGODXEW-AWEZNQCLSA-N 0 3 382.505 0.912 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794398514 1205514227 /nfs/dbraw/zinc/51/42/27/1205514227.db2.gz CPDABCXNLIPWOY-HZPDHXFCSA-N 0 3 384.521 0.501 20 0 GCADHN C[C@H](NC(=O)C(=O)N(C)CCN(C)C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000804600733 1205518641 /nfs/dbraw/zinc/51/86/41/1205518641.db2.gz DPAMGFQCXKIOFK-AWEZNQCLSA-N 0 3 394.491 0.984 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1)N1CCC[C@H](C)C1 ZINC000804751039 1205523314 /nfs/dbraw/zinc/52/33/14/1205523314.db2.gz SHSIMDVKNKBMSC-UONOGXRCSA-N 0 3 382.505 0.959 20 0 GCADHN CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000804730167 1205523950 /nfs/dbraw/zinc/52/39/50/1205523950.db2.gz YOFKOUAMHPJOTP-HNNXBMFYSA-N 0 3 380.489 0.666 20 0 GCADHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804732508 1205524064 /nfs/dbraw/zinc/52/40/64/1205524064.db2.gz QKLQEQOPQZCNFH-IXDOHACOSA-N 0 3 389.500 0.293 20 0 GCADHN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804731820 1205524418 /nfs/dbraw/zinc/52/44/18/1205524418.db2.gz WBVVCLQPFMONON-CQSZACIVSA-N 0 3 383.452 0.894 20 0 GCADHN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804732995 1205524454 /nfs/dbraw/zinc/52/44/54/1205524454.db2.gz AAFMBWGFVQQBJV-XIRDDKMYSA-N 0 3 394.516 0.960 20 0 GCADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000804732067 1205524594 /nfs/dbraw/zinc/52/45/94/1205524594.db2.gz ALDMUOXAVBWGJW-MRXNPFEDSA-N 0 3 380.489 0.524 20 0 GCADHN C[C@H](NC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1)C1=CCN(C)CC1 ZINC000804757319 1205525492 /nfs/dbraw/zinc/52/54/92/1205525492.db2.gz OQWGESOZXQOKLR-ZDUSSCGKSA-N 0 3 380.489 0.736 20 0 GCADHN O=C([C@@H]1CCO[C@H]1C1CC1)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129943265 1205525847 /nfs/dbraw/zinc/52/58/47/1205525847.db2.gz VLHZIDMTDMZXPF-YRXWBPOGSA-N 0 3 389.500 0.861 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NCCOCC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130015363 1205528549 /nfs/dbraw/zinc/52/85/49/1205528549.db2.gz UGAFGNPCFHWYRN-BGTYHANMSA-N 0 3 377.489 0.861 20 0 GCADHN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000804927916 1205528975 /nfs/dbraw/zinc/52/89/75/1205528975.db2.gz KGLZNYKHTAAJPM-HOTGVXAUSA-N 0 3 382.505 0.912 20 0 GCADHN CCCCOCCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130009249 1205529130 /nfs/dbraw/zinc/52/91/30/1205529130.db2.gz FBMJPBNNANKQLR-TWMKSMIVSA-N 0 3 392.504 0.161 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@H]2C2OCCO2)CC1 ZINC000805156447 1205532750 /nfs/dbraw/zinc/53/27/50/1205532750.db2.gz WBTRPNLORJOXJE-INIZCTEOSA-N 0 3 397.516 0.746 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)C1=COCCO1)C(=O)C1=COCCO1 ZINC000805200862 1205532827 /nfs/dbraw/zinc/53/28/27/1205532827.db2.gz KXDBYHKZYJRFAI-UHFFFAOYSA-N 0 3 395.456 0.146 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCC[C@@H]2C2OCCO2)CC1 ZINC000805156448 1205532942 /nfs/dbraw/zinc/53/29/42/1205532942.db2.gz WBTRPNLORJOXJE-MRXNPFEDSA-N 0 3 397.516 0.746 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n(C)c1 ZINC000747232360 1205533150 /nfs/dbraw/zinc/53/31/50/1205533150.db2.gz WCTCLHZEQMFBLJ-HUUCEWRRSA-N 0 3 398.529 0.649 20 0 GCADHN CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)[n-]1 ZINC001130223491 1205538184 /nfs/dbraw/zinc/53/81/84/1205538184.db2.gz XBNWAQCDNPHAGF-AJNGGQMLSA-N 0 3 390.488 0.065 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CN3CCCC3=O)cc2)CC1 ZINC000806210900 1205551663 /nfs/dbraw/zinc/55/16/63/1205551663.db2.gz LGQHTKIFERVLMU-UHFFFAOYSA-N 0 3 388.468 0.933 20 0 GCADHN CC(C)N1CC[C@H](NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1=O ZINC000806259653 1205553082 /nfs/dbraw/zinc/55/30/82/1205553082.db2.gz BGPPJXWAGJWHOM-SFHVURJKSA-N 0 3 388.512 0.745 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000806327581 1205554359 /nfs/dbraw/zinc/55/43/59/1205554359.db2.gz MKRCWSHMIOLLQC-FGTMMUONSA-N 0 3 391.516 0.825 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000806330664 1205554495 /nfs/dbraw/zinc/55/44/95/1205554495.db2.gz QNPKNIANGPUGCC-GVDBMIGSSA-N 0 3 391.516 0.683 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806465313 1205557542 /nfs/dbraw/zinc/55/75/42/1205557542.db2.gz UTQOGLJDUKSAME-ZDUSSCGKSA-N 0 3 393.406 0.931 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806593926 1205559983 /nfs/dbraw/zinc/55/99/83/1205559983.db2.gz HYLMVUWQVPUDGI-UHFFFAOYSA-N 0 3 381.908 0.490 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806715293 1205565155 /nfs/dbraw/zinc/56/51/55/1205565155.db2.gz FLMWUKRBOPAKMV-STQMWFEESA-N 0 3 390.406 0.480 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806788613 1205567397 /nfs/dbraw/zinc/56/73/97/1205567397.db2.gz GHCJIFKRFTWOHU-CYBMUJFWSA-N 0 3 390.406 0.306 20 0 GCADHN CSCCCCCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000806884447 1205568885 /nfs/dbraw/zinc/56/88/85/1205568885.db2.gz MPNJXFAZEBGYAK-INIZCTEOSA-N 0 3 398.573 0.791 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)CC1(C)OCCO1 ZINC000807422246 1205581540 /nfs/dbraw/zinc/58/15/40/1205581540.db2.gz FYGRHJPMBYTMQI-HOTGVXAUSA-N 0 3 385.505 0.461 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)CC1(C)OCCO1 ZINC000807422248 1205581641 /nfs/dbraw/zinc/58/16/41/1205581641.db2.gz FYGRHJPMBYTMQI-JKSUJKDBSA-N 0 3 385.505 0.461 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000807504953 1205582917 /nfs/dbraw/zinc/58/29/17/1205582917.db2.gz UBJJKHBODAAMQO-WIYYLYMNSA-N 0 3 391.512 0.970 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)OCCO)cc2)CC1 ZINC000807547935 1205584244 /nfs/dbraw/zinc/58/42/44/1205584244.db2.gz PFSXECUHAXEWCP-UHFFFAOYSA-N 0 3 392.500 0.671 20 0 GCADHN Cc1cccc(F)c1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000807516203 1205584261 /nfs/dbraw/zinc/58/42/61/1205584261.db2.gz IMRRBFUXTMSADY-QGZVFWFLSA-N 0 3 390.459 0.515 20 0 GCADHN Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2=O)cc1 ZINC000807584705 1205585243 /nfs/dbraw/zinc/58/52/43/1205585243.db2.gz GAUPARWGBIREBR-QZTJIDSGSA-N 0 3 384.480 0.913 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](SC)C2)CC1 ZINC000807767309 1205590001 /nfs/dbraw/zinc/59/00/01/1205590001.db2.gz XQADLVCEEWWYAH-CABCVRRESA-N 0 3 384.546 0.399 20 0 GCADHN CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000807825210 1205590762 /nfs/dbraw/zinc/59/07/62/1205590762.db2.gz IWRIIQCPHLFFBQ-AWEZNQCLSA-N 0 3 382.505 0.912 20 0 GCADHN Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NC/C=C/Cl ZINC001131073552 1205593668 /nfs/dbraw/zinc/59/36/68/1205593668.db2.gz GZYFHJOFQBCPBE-AKVONEMDSA-N 0 3 379.892 0.958 20 0 GCADHN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000808036149 1205595785 /nfs/dbraw/zinc/59/57/85/1205595785.db2.gz FLTWBHNXPFLYTB-HUUCEWRRSA-N 0 3 382.505 0.912 20 0 GCADHN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000808042084 1205598642 /nfs/dbraw/zinc/59/86/42/1205598642.db2.gz FMZQDSFDEYMCRX-HOTGVXAUSA-N 0 3 382.505 0.914 20 0 GCADHN O=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000808157077 1205600659 /nfs/dbraw/zinc/60/06/59/1205600659.db2.gz SHHZBWYYMGQELO-IRXDYDNUSA-N 0 3 388.443 0.972 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C(C)(C)[C@@H]2c2cnn(C)c2)CC1 ZINC000808154695 1205600662 /nfs/dbraw/zinc/60/06/62/1205600662.db2.gz PXQYWPYZMUZGIU-SFHVURJKSA-N 0 3 390.532 0.773 20 0 GCADHN CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(CC(C)(C)O)C[C@@H]2C)C1=O ZINC000808178513 1205601281 /nfs/dbraw/zinc/60/12/81/1205601281.db2.gz BXPAWSGERAUPIW-LIRRHRJNSA-N 0 3 398.504 0.375 20 0 GCADHN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](CO)CN(C)C)cc1 ZINC000808171491 1205602168 /nfs/dbraw/zinc/60/21/68/1205602168.db2.gz YPNGFOMYYFGJOQ-ZDUSSCGKSA-N 0 3 379.486 0.671 20 0 GCADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000808217389 1205602586 /nfs/dbraw/zinc/60/25/86/1205602586.db2.gz BPEPDNHQDZDXSS-IAGOWNOFSA-N 0 3 376.436 0.477 20 0 GCADHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](CO)CN3CCCC3)C2=O)cc1 ZINC000808221359 1205602808 /nfs/dbraw/zinc/60/28/08/1205602808.db2.gz FUGIICZQMCHKMX-OXJNMPFZSA-N 0 3 388.468 0.335 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000808223565 1205603090 /nfs/dbraw/zinc/60/30/90/1205603090.db2.gz NNIXQZSRNSPYCY-USXIJHARSA-N 0 3 395.500 0.541 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1=O ZINC000808270090 1205604500 /nfs/dbraw/zinc/60/45/00/1205604500.db2.gz RKTDEZXETJRJQB-NVXWUHKLSA-N 0 3 389.452 0.063 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)/C=C\c2ccc3c(c2)OCO3)CC1=O ZINC000808270681 1205604734 /nfs/dbraw/zinc/60/47/34/1205604734.db2.gz YKTREUUQHUVXTK-LEXSJLIMSA-N 0 3 389.452 0.724 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C ZINC000808923652 1205614454 /nfs/dbraw/zinc/61/44/54/1205614454.db2.gz ZXSPSRHASCENOU-WMZOPIPTSA-N 0 3 388.512 0.948 20 0 GCADHN CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001131515386 1205614865 /nfs/dbraw/zinc/61/48/65/1205614865.db2.gz HNULBQYHKXTYCY-JZGRTCEGSA-N 0 3 381.517 0.923 20 0 GCADHN COCc1ccccc1CNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131517543 1205615339 /nfs/dbraw/zinc/61/53/39/1205615339.db2.gz STWWKIWPPNCTCD-GJNTUIEKSA-N 0 3 387.480 0.578 20 0 GCADHN COc1cccc(CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001131524840 1205617226 /nfs/dbraw/zinc/61/72/26/1205617226.db2.gz SZWDOODGTLXVAB-YSVXCWOHSA-N 0 3 387.480 0.829 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC2CC2)CC1 ZINC001131564140 1205618179 /nfs/dbraw/zinc/61/81/79/1205618179.db2.gz CVFAPECVFYSNRM-OLQIXAPSSA-N 0 3 379.501 0.676 20 0 GCADHN 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/nfs/dbraw/zinc/72/14/28/1205721428.db2.gz LSJXBGZSMRALIR-ZJPYXAASSA-N 0 3 376.453 0.508 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N[C@]2(C)CCS(=O)(=O)C2)CCN1C(=O)c1ccccc1 ZINC001173497253 1205721571 /nfs/dbraw/zinc/72/15/71/1205721571.db2.gz RUBRGQVLRLTMMS-TXPKVOOTSA-N 0 3 394.493 1.000 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](n2nc(C(=O)N(C)C)c3c2CCNC3)C[C@@H]1C(=O)OC ZINC001173575696 1205724651 /nfs/dbraw/zinc/72/46/51/1205724651.db2.gz FTAYPMJCEHAHDQ-CNDDSTCGSA-N 0 3 378.429 0.144 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N2CCC(C(=O)N3CCN(C)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173583345 1205725258 /nfs/dbraw/zinc/72/52/58/1205725258.db2.gz QCADPZJRMXTLIX-OSYLJGHBSA-N 0 3 395.500 0.213 20 0 GCADHN CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)NC(C)(C)C1=O ZINC001095234311 1205725732 /nfs/dbraw/zinc/72/57/32/1205725732.db2.gz PNNJJQUXCUSVGG-QPSCCSFWSA-N 0 3 377.489 0.133 20 0 GCADHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173751915 1205727330 /nfs/dbraw/zinc/72/73/30/1205727330.db2.gz XLQMAOXPJCCYQD-KGLIPLIRSA-N 0 3 394.505 0.308 20 0 GCADHN CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)C1 ZINC001175181954 1205735971 /nfs/dbraw/zinc/73/59/71/1205735971.db2.gz YWGFFOWKRRLKOA-BMFZPTHFSA-N 0 3 381.473 0.967 20 0 GCADHN O=C(N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001175180252 1205736121 /nfs/dbraw/zinc/73/61/21/1205736121.db2.gz OFEHEJQBHIAXKW-KMFMINBZSA-N 0 3 394.497 0.211 20 0 GCADHN C[C@H](O)[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 ZINC001175638399 1205739637 /nfs/dbraw/zinc/73/96/37/1205739637.db2.gz LLYJKTLHBLKYNF-AHDPXTMNSA-N 0 3 385.461 0.243 20 0 GCADHN COCCn1c(N)c(C(=O)CN2CCN(C3CCCC3)[C@@H](C)C2)c(=O)[nH]c1=O ZINC001176152926 1205744544 /nfs/dbraw/zinc/74/45/44/1205744544.db2.gz ATRQBGKCJAXPJT-ZDUSSCGKSA-N 0 3 393.488 0.309 20 0 GCADHN COC[C@@H](NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C)[C@@H]1CCCOC1 ZINC001176201871 1205744790 /nfs/dbraw/zinc/74/47/90/1205744790.db2.gz IGZWEPNDNUAONR-CZUORRHYSA-N 0 3 385.486 0.612 20 0 GCADHN O=C(Cc1c[nH]cn1)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001176828823 1205755862 /nfs/dbraw/zinc/75/58/62/1205755862.db2.gz HDHAFILCHSWJNB-ZDUSSCGKSA-N 0 3 380.412 0.027 20 0 GCADHN NC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001110199719 1205761856 /nfs/dbraw/zinc/76/18/56/1205761856.db2.gz PSOUGXJCUKLCQZ-VOAKCMCISA-N 0 3 381.395 0.303 20 0 GCADHN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001177091582 1205762045 /nfs/dbraw/zinc/76/20/45/1205762045.db2.gz DJYTUIHXEHVCOH-KGLIPLIRSA-N 0 3 378.433 0.288 20 0 GCADHN CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001177091582 1205762048 /nfs/dbraw/zinc/76/20/48/1205762048.db2.gz DJYTUIHXEHVCOH-KGLIPLIRSA-N 0 3 378.433 0.288 20 0 GCADHN COC(=O)[C@H](Cc1cncn1C)NC(=O)C1CCN(Cc2ccccn2)CC1 ZINC001177214579 1205763349 /nfs/dbraw/zinc/76/33/49/1205763349.db2.gz NFBOFQFMMVZBKY-SFHVURJKSA-N 0 3 385.468 0.928 20 0 GCADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001177177627 1205763616 /nfs/dbraw/zinc/76/36/16/1205763616.db2.gz ZZRIDJKIFNGVAS-SNVBAGLBSA-N 0 3 379.442 0.137 20 0 GCADHN Cc1nnc(CC(=O)N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)[nH]1 ZINC001177438289 1205770324 /nfs/dbraw/zinc/77/03/24/1205770324.db2.gz UPGRXKJEQUYTJL-VQIMIIECSA-N 0 3 376.505 0.443 20 0 GCADHN CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC001177684996 1205774017 /nfs/dbraw/zinc/77/40/17/1205774017.db2.gz CPYFLRJQZJYOJF-DOTOQJQBSA-N 0 3 376.457 0.554 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC001177885199 1205778574 /nfs/dbraw/zinc/77/85/74/1205778574.db2.gz ULBAERCKISDRRN-JKSUJKDBSA-N 0 3 381.498 0.608 20 0 GCADHN CN1CCC(CO)(NC(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001178862322 1205796432 /nfs/dbraw/zinc/79/64/32/1205796432.db2.gz DOLMPNXODDXZAJ-LJQANCHMSA-N 0 3 385.505 0.711 20 0 GCADHN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001179008685 1205799348 /nfs/dbraw/zinc/79/93/48/1205799348.db2.gz QABGJBWTAIKNRZ-KBXCAEBGSA-N 0 3 386.452 0.774 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC001179008904 1205799363 /nfs/dbraw/zinc/79/93/63/1205799363.db2.gz UPGXVKPAZKVWNX-OAHLLOKOSA-N 0 3 395.481 0.147 20 0 GCADHN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001179008687 1205799462 /nfs/dbraw/zinc/79/94/62/1205799462.db2.gz QABGJBWTAIKNRZ-KSSFIOAISA-N 0 3 386.452 0.774 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC001179056469 1205800323 /nfs/dbraw/zinc/80/03/23/1205800323.db2.gz RLDIOTIASKLFIW-ZRGWGRIASA-N 0 3 385.505 0.783 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)CN3CCN(C(C)=O)CC3)cc2)CC1 ZINC001179031992 1205801153 /nfs/dbraw/zinc/80/11/53/1205801153.db2.gz ZVTROXZYYXBGCX-UHFFFAOYSA-N 0 3 387.528 0.927 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC001179074806 1205802227 /nfs/dbraw/zinc/80/22/27/1205802227.db2.gz ZGAYPLQSWCQZLN-KDOFPFPSSA-N 0 3 385.505 0.567 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001179134003 1205803232 /nfs/dbraw/zinc/80/32/32/1205803232.db2.gz QFFOIPXIERJAMW-GJZGRUSLSA-N 0 3 383.489 0.944 20 0 GCADHN C[C@H]1[C@@H](NCC(=O)NCC2CCC2)CCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001179202796 1205804514 /nfs/dbraw/zinc/80/45/14/1205804514.db2.gz OLJKITYAAGFUMP-GQSKVQJVSA-N 0 3 379.501 0.533 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001179203916 1205804628 /nfs/dbraw/zinc/80/46/28/1205804628.db2.gz BZXYJDCPDPFAQJ-KUHUBIRLSA-N 0 3 396.488 0.931 20 0 GCADHN CN1CCC(CO)(NC(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001179212244 1205805199 /nfs/dbraw/zinc/80/51/99/1205805199.db2.gz GMMAOSWPEBSAQG-IBGZPJMESA-N 0 3 396.488 0.715 20 0 GCADHN C[C@H]1[C@@H](NCC(=O)NC2CCOCC2)CCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001179190917 1205806603 /nfs/dbraw/zinc/80/66/03/1205806603.db2.gz CCBJGELSRKLRPE-OLIUUXKNSA-N 0 3 379.501 0.676 20 0 GCADHN O=C(Cn1ccc(=O)[nH]c1=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001179298554 1205807706 /nfs/dbraw/zinc/80/77/06/1205807706.db2.gz GYKGHSXDGRQEHU-UHFFFAOYSA-N 0 3 386.452 0.700 20 0 GCADHN C[C@H]1[C@@H](NCC(=O)NC(=O)NC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001179585599 1205812679 /nfs/dbraw/zinc/81/26/79/1205812679.db2.gz YQSCMEHQMUGHQM-QRTUWBSPSA-N 0 3 380.489 0.757 20 0 GCADHN C[C@@](O)(CC(=O)n1ccc(=NCCN2CCOCC2)c(N)c1)C(F)(F)F ZINC001179804312 1205814740 /nfs/dbraw/zinc/81/47/40/1205814740.db2.gz LQVULXBFSOIKRU-OAHLLOKOSA-N 0 3 376.379 0.647 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)CCCC(=O)N1CC(=O)Nc2ccccc21 ZINC001180096942 1205817592 /nfs/dbraw/zinc/81/75/92/1205817592.db2.gz CIYGMYJNRLOURK-HNNXBMFYSA-N 0 3 388.468 0.931 20 0 GCADHN CN(C)CCN(C(=O)Cc1nc(N)n[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001180246044 1205819653 /nfs/dbraw/zinc/81/96/53/1205819653.db2.gz DYQIUZMPWSGSKM-CYBMUJFWSA-N 0 3 395.508 0.719 20 0 GCADHN O=C(CCC(=O)N1CCNC(=O)CC1)N1CCN(CC2CCCCC2)CC1 ZINC001180262972 1205820251 /nfs/dbraw/zinc/82/02/51/1205820251.db2.gz SDISTRNQQXCXOG-UHFFFAOYSA-N 0 3 378.517 0.840 20 0 GCADHN CC(C)(C)OC(=O)N1CCN2C[C@@H](CNC(=O)C3=NNC(=O)CC3)C[C@H]2C1 ZINC001180258934 1205820374 /nfs/dbraw/zinc/82/03/74/1205820374.db2.gz PPRPKTXIOZBRJR-OLZOCXBDSA-N 0 3 379.461 0.310 20 0 GCADHN CN1CCC(N(C(=O)CCC(=O)N2CCNC(=O)CC2)C2CCCC2)CC1 ZINC001180269120 1205820944 /nfs/dbraw/zinc/82/09/44/1205820944.db2.gz KKXMFSOBCOUWCL-UHFFFAOYSA-N 0 3 378.517 0.981 20 0 GCADHN CCN(CC)CC(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001180388876 1205823379 /nfs/dbraw/zinc/82/33/79/1205823379.db2.gz QSLWSQRMCKPENF-HXUWFJFHSA-N 0 3 387.484 0.590 20 0 GCADHN CCN(CC)CC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001180387409 1205823431 /nfs/dbraw/zinc/82/34/31/1205823431.db2.gz GYIZKDZWPOEZKO-OAHLLOKOSA-N 0 3 385.472 0.403 20 0 GCADHN COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001180407341 1205824739 /nfs/dbraw/zinc/82/47/39/1205824739.db2.gz UANWFHWZMWKISB-XWTMOSNGSA-N 0 3 386.448 0.582 20 0 GCADHN C[C@H](C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1)N1CCCC1 ZINC001180580388 1205826072 /nfs/dbraw/zinc/82/60/72/1205826072.db2.gz SCUYFFJCQVWCGH-TVFCKZIOSA-N 0 3 379.501 0.441 20 0 GCADHN C[C@@H](C(=O)N1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21)N1CCCC1 ZINC001180579199 1205826134 /nfs/dbraw/zinc/82/61/34/1205826134.db2.gz NRBNWMIWRVIPNV-CAOSSQGBSA-N 0 3 375.473 0.393 20 0 GCADHN C[C@@H](C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2)N1CCCC1 ZINC001180578894 1205826147 /nfs/dbraw/zinc/82/61/47/1205826147.db2.gz LFGAGQGVARAMIX-LPHOPBHVSA-N 0 3 375.473 0.395 20 0 GCADHN C[C@H](C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1)N1CCCC1 ZINC001180576889 1205826226 /nfs/dbraw/zinc/82/62/26/1205826226.db2.gz BAAQKXXXMJQAIL-CYGHRXIMSA-N 0 3 387.484 0.697 20 0 GCADHN CN(CC(=O)N1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21)C1CCCC1 ZINC001180628561 1205828773 /nfs/dbraw/zinc/82/87/73/1205828773.db2.gz VMNKKXNKOVKTQQ-LZLYRXPVSA-N 0 3 389.500 0.783 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001181403001 1205843663 /nfs/dbraw/zinc/84/36/63/1205843663.db2.gz YUUXLXIYAKSBJP-XQLPTFJDSA-N 0 3 382.505 0.957 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001181403002 1205843711 /nfs/dbraw/zinc/84/37/11/1205843711.db2.gz YUUXLXIYAKSBJP-ZQDZILKHSA-N 0 3 382.505 0.957 20 0 GCADHN CN1CCC(CO)(NC(=O)C[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)CC1 ZINC001181441323 1205844798 /nfs/dbraw/zinc/84/47/98/1205844798.db2.gz MRPIGEBEWZPUBH-ZDUSSCGKSA-N 0 3 386.493 0.108 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)CC1CCS(=O)(=O)CC1)CC2 ZINC001181539473 1205845770 /nfs/dbraw/zinc/84/57/70/1205845770.db2.gz BVQGIIDOZWQHGT-UHFFFAOYSA-N 0 3 385.530 0.404 20 0 GCADHN COC[C@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)COCCO)CC2 ZINC001181773820 1205849462 /nfs/dbraw/zinc/84/94/62/1205849462.db2.gz RGEMVIQBFNAUGR-GOSISDBHSA-N 0 3 377.485 0.920 20 0 GCADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000817528320 1205850091 /nfs/dbraw/zinc/85/00/91/1205850091.db2.gz PRICJQYPAQIPBS-IHRRRGAJSA-N 0 3 385.461 0.422 20 0 GCADHN CC(=O)N/C(=C\c1cccs1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000817550950 1205850656 /nfs/dbraw/zinc/85/06/56/1205850656.db2.gz YYDJYNLXGABRNK-VZVUQDNOSA-N 0 3 390.509 0.990 20 0 GCADHN CN1CCC(O)(C(=O)Nc2nc(N)ccc2I)CC1 ZINC001182029084 1205853513 /nfs/dbraw/zinc/85/35/13/1205853513.db2.gz NCXDLDSUIUZHBO-UHFFFAOYSA-N 0 3 376.198 0.664 20 0 GCADHN CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)C2(O)CCN(C)CC2)n1 ZINC001182030706 1205853779 /nfs/dbraw/zinc/85/37/79/1205853779.db2.gz FRIWVBZNTPIXGR-HNNXBMFYSA-N 0 3 377.489 0.679 20 0 GCADHN CN1CCC(O)(C(=O)N2C[C@H](NC(=O)c3cscn3)[C@@H]3OCCC[C@@H]32)CC1 ZINC001182032908 1205853932 /nfs/dbraw/zinc/85/39/32/1205853932.db2.gz VYWQLHUWXLREPQ-QEJZJMRPSA-N 0 3 394.497 0.088 20 0 GCADHN COCCOc1cccc(N2CCN(C(=O)C3(O)CCN(C)CC3)CC2)c1 ZINC001182033552 1205853964 /nfs/dbraw/zinc/85/39/64/1205853964.db2.gz MMABYYUNCDXQBL-UHFFFAOYSA-N 0 3 377.485 0.817 20 0 GCADHN CN1CCC(O)(C(=O)NC[C@H]2OC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001182033152 1205853991 /nfs/dbraw/zinc/85/39/91/1205853991.db2.gz MOAGOVZOYWJHMS-HRCADAONSA-N 0 3 397.516 0.831 20 0 GCADHN CN1CCC(O)(C(=O)N2CC(O)([C@H]3CCCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001182031612 1205854048 /nfs/dbraw/zinc/85/40/48/1205854048.db2.gz COUZGZJGPAYCCF-OAHLLOKOSA-N 0 3 397.516 0.806 20 0 GCADHN COC(=O)c1ccc(CN2CCN(C(=O)C3(O)CCN(C)CC3)CC2)cc1 ZINC001182032322 1205854065 /nfs/dbraw/zinc/85/40/65/1205854065.db2.gz HWOATMMBRPBMLV-UHFFFAOYSA-N 0 3 375.469 0.574 20 0 GCADHN NC1(C(=O)NCc2ccccc2)CCN(C(=O)CC2CC(=O)NC(=O)C2)CC1 ZINC001182179468 1205858439 /nfs/dbraw/zinc/85/84/39/1205858439.db2.gz IYWSRPPTWSIRBD-UHFFFAOYSA-N 0 3 386.452 0.066 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OC)nc2Cl)CC1 ZINC000774104822 1205862371 /nfs/dbraw/zinc/86/23/71/1205862371.db2.gz RTIIHCIDPYWXBZ-GFCCVEGCSA-N 0 3 383.880 0.824 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC3(C)OCCO3)cc2)CC1 ZINC000774399554 1205871358 /nfs/dbraw/zinc/87/13/58/1205871358.db2.gz OPYPSYLVKCYZPN-UHFFFAOYSA-N 0 3 376.457 0.646 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001110308673 1205872540 /nfs/dbraw/zinc/87/25/40/1205872540.db2.gz LQPJNOAJLMOYOC-ATLSCFEFSA-N 0 3 379.457 0.357 20 0 GCADHN O=C(CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)N1CCN(C2CCCCC2)CC1 ZINC001182464498 1205873411 /nfs/dbraw/zinc/87/34/11/1205873411.db2.gz ZEGMXDAVCKXAJW-QGZVFWFLSA-N 0 3 390.528 0.838 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)CC[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC001182850611 1205882682 /nfs/dbraw/zinc/88/26/82/1205882682.db2.gz JUOXOHPBRBGVJC-HOTGVXAUSA-N 0 3 390.509 0.846 20 0 GCADHN CC(=O)N1CSC[C@H]1C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001183141743 1205887406 /nfs/dbraw/zinc/88/74/06/1205887406.db2.gz QZHWCASANNRJME-INIZCTEOSA-N 0 3 382.530 0.501 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)N[C@H]3COCC[C@@H]3O)CC2)C1 ZINC001183158239 1205888787 /nfs/dbraw/zinc/88/87/87/1205888787.db2.gz PBNOAWNOWJFSIJ-ULQDDVLXSA-N 0 3 397.516 0.974 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)NC[C@H]3CNC(=O)C3)CC2)C1 ZINC001183157123 1205888911 /nfs/dbraw/zinc/88/89/11/1205888911.db2.gz JKMBKRIXCYDVDA-GDBMZVCRSA-N 0 3 394.516 0.960 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)NC[C@@H]3CNC(=O)O3)CC2)C1 ZINC001183166555 1205889114 /nfs/dbraw/zinc/88/91/14/1205889114.db2.gz CCTBHPQCGFJCKS-HUUCEWRRSA-N 0 3 396.488 0.932 20 0 GCADHN CC(C)[C@H](C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21)N(C)C ZINC001183359135 1205891289 /nfs/dbraw/zinc/89/12/89/1205891289.db2.gz AJFAZJOCVALVLH-DZJNRPSUSA-N 0 3 389.500 0.799 20 0 GCADHN CC(C)[C@H](C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21)N(C)C ZINC001183359133 1205891401 /nfs/dbraw/zinc/89/14/01/1205891401.db2.gz AJFAZJOCVALVLH-BZZMCLGOSA-N 0 3 389.500 0.799 20 0 GCADHN CC(C)[C@H](C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2)N(C)C ZINC001183363243 1205891469 /nfs/dbraw/zinc/89/14/69/1205891469.db2.gz VCNFZOUZSGAZJP-APWZRJJASA-N 0 3 377.489 0.497 20 0 GCADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)C1C=CN=C2N=CC=C21 ZINC001183584813 1205895744 /nfs/dbraw/zinc/89/57/44/1205895744.db2.gz RAXRWPWQSNSXAE-NSHDSACASA-N 0 3 375.410 0.161 20 0 GCADHN COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001110335955 1205896272 /nfs/dbraw/zinc/89/62/72/1205896272.db2.gz OVLMURBYNOPULB-CLWVCHIJSA-N 0 3 381.429 0.235 20 0 GCADHN COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccco1 ZINC001110335956 1205896349 /nfs/dbraw/zinc/89/63/49/1205896349.db2.gz OVLMURBYNOPULB-XOUADPBQSA-N 0 3 381.429 0.235 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)C[C@H]1CCCCN1C(C)=O)CC2 ZINC001184121685 1205905287 /nfs/dbraw/zinc/90/52/87/1205905287.db2.gz CHPUVAWZQLXDNZ-QGZVFWFLSA-N 0 3 378.517 0.981 20 0 GCADHN CC[C@@H](C)C(=O)C(=O)N1CCc2c(nnn2C)[C@@H]1COCCN1CCCC1 ZINC001184318041 1205907906 /nfs/dbraw/zinc/90/79/06/1205907906.db2.gz DHIJQEQFSVBJNM-ZBFHGGJFSA-N 0 3 377.489 0.969 20 0 GCADHN CC(C)CC(=O)C(=O)N1CCc2c(nnn2C)[C@H]1COCCN1CCCC1 ZINC001184326522 1205908522 /nfs/dbraw/zinc/90/85/22/1205908522.db2.gz GXCMPSAEVPZGBR-MRXNPFEDSA-N 0 3 377.489 0.969 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCc2cn(CC)c(=O)[nH]c2=O)CC1 ZINC001184411046 1205909709 /nfs/dbraw/zinc/90/97/09/1205909709.db2.gz QACIZXIBNFURTN-CYBMUJFWSA-N 0 3 394.472 0.639 20 0 GCADHN CN(CC(=O)N1CCCN2CCC[C@@H]2C1)C1=NS(=O)(=O)c2ccccc21 ZINC000142159178 1205917392 /nfs/dbraw/zinc/91/73/92/1205917392.db2.gz CWYDIZYSMRRERT-CQSZACIVSA-N 0 3 376.482 0.764 20 0 GCADHN COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCOC[C@H]1CN(C)C)C(C)C ZINC001185677288 1205928014 /nfs/dbraw/zinc/92/80/14/1205928014.db2.gz MEOYGCWXNVSAKB-PMPSAXMXSA-N 0 3 398.504 0.147 20 0 GCADHN COCCN(C(=O)Cn1cnc2c1nc(N)nc2Cl)C1CCN(C)CC1 ZINC001185901078 1205931662 /nfs/dbraw/zinc/93/16/62/1205931662.db2.gz ANYCGUGOPOULHT-UHFFFAOYSA-N 0 3 381.868 0.631 20 0 GCADHN CC(C)(C)OC(=O)NC1CCN([C@H]2CCN(C(=O)CN3CC[C@@H](O)C3)C2)CC1 ZINC001186044990 1205934198 /nfs/dbraw/zinc/93/41/98/1205934198.db2.gz NYJVJFVBINUJBX-DLBZAZTESA-N 0 3 396.532 0.643 20 0 GCADHN CC(C)(C)OC(=O)N1CCN2C[C@@H](CNC(=O)CN3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186047647 1205934251 /nfs/dbraw/zinc/93/42/51/1205934251.db2.gz ATPHQLRAEPVQNB-OWCLPIDISA-N 0 3 382.505 0.110 20 0 GCADHN COC(=O)[C@H]1CCN(CC(=O)N2CCc3ncc(CN4CCCC4)n3CC2)C1 ZINC001186106856 1205935161 /nfs/dbraw/zinc/93/51/61/1205935161.db2.gz PUNJMWARZXPVBA-INIZCTEOSA-N 0 3 389.500 0.359 20 0 GCADHN Cc1nc(CS(=O)(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)no1 ZINC001186672466 1205944720 /nfs/dbraw/zinc/94/47/20/1205944720.db2.gz PKXNWRZTVQUMQA-UHFFFAOYSA-N 0 3 393.513 0.957 20 0 GCADHN Nc1cn(C(=O)c2ccccc2-c2nnn[n-]2)ccc1=[NH+]CCN1CCOCC1 ZINC001186991538 1205954176 /nfs/dbraw/zinc/95/41/76/1205954176.db2.gz MIUUISZDSKOUEP-UHFFFAOYSA-N 0 3 394.439 0.172 20 0 GCADHN Nc1cn(C(=O)c2ccccc2-c2nn[n-]n2)ccc1=[NH+]CCN1CCOCC1 ZINC001186991538 1205954178 /nfs/dbraw/zinc/95/41/78/1205954178.db2.gz MIUUISZDSKOUEP-UHFFFAOYSA-N 0 3 394.439 0.172 20 0 GCADHN Cc1oncc1S(=O)(=O)N1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001187344885 1205961290 /nfs/dbraw/zinc/96/12/90/1205961290.db2.gz RQHVCOWERPCGEM-UHFFFAOYSA-N 0 3 380.470 0.496 20 0 GCADHN CN1CCC[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 ZINC001187535155 1205964893 /nfs/dbraw/zinc/96/48/93/1205964893.db2.gz XUWFZFYZLRNUDK-VJANTYMQSA-N 0 3 398.507 0.545 20 0 GCADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)c1[nH]ncc1Cl)CC2 ZINC001187837870 1205969340 /nfs/dbraw/zinc/96/93/40/1205969340.db2.gz SQLSPCOVJLCORN-UHFFFAOYSA-N 0 3 391.863 0.383 20 0 GCADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)[C@@H]2C1 ZINC001188535335 1205986404 /nfs/dbraw/zinc/98/64/04/1205986404.db2.gz AOHYUQCJPSJTDZ-VNTMZGSJSA-N 0 3 393.528 0.735 20 0 GCADHN CC(C)N1CCN(C2CCN(S(=O)(=O)c3cnn4c3OCCC4)CC2)CC1 ZINC001188779402 1205991559 /nfs/dbraw/zinc/99/15/59/1205991559.db2.gz DLHXWILCBRSOMS-UHFFFAOYSA-N 0 3 397.545 0.845 20 0 GCADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3ccc(CO)o3)CC2)C1=O ZINC001189150451 1205998101 /nfs/dbraw/zinc/99/81/01/1205998101.db2.gz NVRDVSBGLYXVHP-UHFFFAOYSA-N 0 3 378.473 0.082 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCc2nc[nH]c(=O)c2C1 ZINC001189185887 1205998592 /nfs/dbraw/zinc/99/85/92/1205998592.db2.gz OGMMKUSMMOPESC-SNVBAGLBSA-N 0 3 383.348 0.754 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)c1nc(OC)cc(OC)n1)CC2 ZINC001189223813 1206000256 /nfs/dbraw/zinc/00/02/56/1206000256.db2.gz OHDAUCIYDJVHKB-UHFFFAOYSA-N 0 3 377.445 0.310 20 0 GCADHN COCCCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1C)C2 ZINC001110406777 1206001794 /nfs/dbraw/zinc/00/17/94/1206001794.db2.gz DFUNWBFGSZBPFI-JJXSEGSLSA-N 0 3 377.489 0.903 20 0 GCADHN CN(C)CCN1CCN(S(=O)(=O)Cc2ccc(F)c(F)c2)CCC1=O ZINC001189300321 1206001854 /nfs/dbraw/zinc/00/18/54/1206001854.db2.gz KSXFVKLJKUAGBW-UHFFFAOYSA-N 0 3 375.441 0.891 20 0 GCADHN CCCC[C@H](CC)CN1C[C@@H]2CN(C(=O)CCS(N)(=O)=O)C[C@H](C1)O2 ZINC001273580959 1206004324 /nfs/dbraw/zinc/00/43/24/1206004324.db2.gz NCPIRRGSGIRMSA-HRCADAONSA-N 0 3 375.535 0.793 20 0 GCADHN NS(=O)(=O)CCC(=O)N1CCC2(CCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001273580890 1206004667 /nfs/dbraw/zinc/00/46/67/1206004667.db2.gz KZAIOICPFHBYLB-UHFFFAOYSA-N 0 3 382.486 0.280 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000429489458 1206009942 /nfs/dbraw/zinc/00/99/42/1206009942.db2.gz LHSXIWAPZJYFIJ-CABCVRRESA-N 0 3 396.454 0.474 20 0 GCADHN CCOC(=O)CC[C@H](NC(=O)NC1CCN(CCOC)CC1)C(=O)OCC ZINC001190496491 1206037914 /nfs/dbraw/zinc/03/79/14/1206037914.db2.gz WKGJRHRZINNEOT-HNNXBMFYSA-N 0 3 387.477 0.671 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CC(N4CCN(C)C(=O)C4)C3)cc2)CC1 ZINC001190840386 1206047877 /nfs/dbraw/zinc/04/78/77/1206047877.db2.gz LPZOVMGJPLISQV-UHFFFAOYSA-N 0 3 399.539 0.423 20 0 GCADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001164621592 719132406 /nfs/dbraw/zinc/13/24/06/719132406.db2.gz MUCUOXMEVQQXRC-SNVBAGLBSA-N 0 3 391.806 0.463 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1ccc(CN3C(=O)CCC3=O)cn1)CC2 ZINC001164686757 719727180 /nfs/dbraw/zinc/72/71/80/719727180.db2.gz RCUOKKAOVJZQOK-UHFFFAOYSA-N 0 3 399.495 0.911 20 0 GCADHN CCOC(=O)Cc1ccc(N2CCC3(CCCN3CC(=O)NC)CC2)nn1 ZINC001164683717 719730950 /nfs/dbraw/zinc/73/09/50/719730950.db2.gz CZMNGJUTIQWAPV-UHFFFAOYSA-N 0 3 375.473 0.763 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1cncc(SCC(=O)OC)n1)CC2 ZINC001164689816 719747792 /nfs/dbraw/zinc/74/77/92/719747792.db2.gz KDMOLHFSLCFZEH-UHFFFAOYSA-N 0 3 393.513 0.923 20 0 GCADHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncc2c(n1)CCNC2 ZINC001164703918 719844377 /nfs/dbraw/zinc/84/43/77/719844377.db2.gz REQUWYYBSCIQHM-KXBFYZLASA-N 0 3 375.473 0.355 20 0 GCADHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc2c(nn1)CCNC2 ZINC001164697787 719861146 /nfs/dbraw/zinc/86/11/46/719861146.db2.gz AQHFNMCWBPECGR-BEFAXECRSA-N 0 3 375.473 0.355 20 0 GCADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(CN(C)C)ccn3)C2)C1 ZINC001164722319 720299275 /nfs/dbraw/zinc/29/92/75/720299275.db2.gz PUTGENAWOLEHFR-FQEVSTJZSA-N 0 3 375.517 0.808 20 0 GCADHN CN(C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc3c2S(=O)(=O)CC3)C1 ZINC001164736204 720533779 /nfs/dbraw/zinc/53/37/79/720533779.db2.gz VXINSPKTTYFLEV-NSHDSACASA-N 0 3 396.904 0.854 20 0 GCADHN COC(=O)c1c[nH]c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164742608 720718339 /nfs/dbraw/zinc/71/83/39/720718339.db2.gz WACUZZSLRZWBLY-OLZOCXBDSA-N 0 3 395.423 0.876 20 0 GCADHN CN(C)c1nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2nc[nH]c21 ZINC001164736950 720720188 /nfs/dbraw/zinc/72/01/88/720720188.db2.gz CKXQJSYFJDBOLV-CHWSQXEVSA-N 0 3 381.444 0.551 20 0 GCADHN CCOC(=O)Cc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164742147 720735343 /nfs/dbraw/zinc/73/53/43/720735343.db2.gz NOPFZSUORIVVSL-JKSUJKDBSA-N 0 3 384.440 0.714 20 0 GCADHN c1ncn(Cc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2)n1 ZINC001164739933 720763022 /nfs/dbraw/zinc/76/30/22/720763022.db2.gz JYIFPYFBCAMQQJ-SJORKVTESA-N 0 3 378.440 0.853 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865009 721077367 /nfs/dbraw/zinc/07/73/67/721077367.db2.gz HXPMDMFROUEEJJ-HZPDHXFCSA-N 0 3 389.481 0.604 20 0 GCADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(N5CCN(C)CC5)nn4)C[C@H]3C2)cn1 ZINC001164762690 721080054 /nfs/dbraw/zinc/08/00/54/721080054.db2.gz FFHBNUDWHSDLMH-RTBURBONSA-N 0 3 396.543 0.920 20 0 GCADHN CN1CC(=O)Nc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164862868 721105064 /nfs/dbraw/zinc/10/50/64/721105064.db2.gz BIRGMURIGHPGHU-HOTGVXAUSA-N 0 3 395.467 0.740 20 0 GCADHN CN1CC(=O)Nc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164862870 721105700 /nfs/dbraw/zinc/10/57/00/721105700.db2.gz BIRGMURIGHPGHU-JKSUJKDBSA-N 0 3 395.467 0.740 20 0 GCADHN CN1CC(=O)Nc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164862869 721105879 /nfs/dbraw/zinc/10/58/79/721105879.db2.gz BIRGMURIGHPGHU-HZPDHXFCSA-N 0 3 395.467 0.740 20 0 GCADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(N)(=O)=O)cn4)C[C@H]3C2)cn1 ZINC001164769895 721114446 /nfs/dbraw/zinc/11/44/46/721114446.db2.gz PXZMGDZZABZQEU-LSDHHAIUSA-N 0 3 376.486 0.421 20 0 GCADHN CN(C)C(=O)CN1CCOCC2(CCN(c3ncnc4c3CCNC4)CC2)C1 ZINC001164868531 721267219 /nfs/dbraw/zinc/26/72/19/721267219.db2.gz ASMRWYABWRPFBW-UHFFFAOYSA-N 0 3 388.516 0.129 20 0 GCADHN CN1CCN(Cc2cn3c(n2)CN(c2cccc(N4CCOCC4)n2)CC3)CC1 ZINC001164798383 721517249 /nfs/dbraw/zinc/51/72/49/721517249.db2.gz SUZDYIFJHVAXQF-UHFFFAOYSA-N 0 3 397.527 0.882 20 0 GCADHN CN(C)C(=O)COCc1nnc2n1CCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001165012036 721723777 /nfs/dbraw/zinc/72/37/77/721723777.db2.gz ZGPSUVSESARUGA-UHFFFAOYSA-N 0 3 399.499 0.894 20 0 GCADHN O=C(Cn1cncn1)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001571258443 945353300 /nfs/dbraw/zinc/35/33/00/945353300.db2.gz REMSUMOPTPEOKW-UHFFFAOYSA-N 0 3 385.407 0.378 20 0 GCADHN O=C(Cn1cncn1)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001571258443 945353315 /nfs/dbraw/zinc/35/33/15/945353315.db2.gz REMSUMOPTPEOKW-UHFFFAOYSA-N 0 3 385.407 0.378 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736860777 944901190 /nfs/dbraw/zinc/90/11/90/944901190.db2.gz VZKBYUYKLVGWOW-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736860777 944901196 /nfs/dbraw/zinc/90/11/96/944901196.db2.gz VZKBYUYKLVGWOW-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736860777 944901199 /nfs/dbraw/zinc/90/11/99/944901199.db2.gz VZKBYUYKLVGWOW-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736860777 944901205 /nfs/dbraw/zinc/90/12/05/944901205.db2.gz VZKBYUYKLVGWOW-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571259181 945377808 /nfs/dbraw/zinc/37/78/08/945377808.db2.gz DEOALZJLBRLLMB-KCXAZCMYSA-N 0 3 385.447 0.743 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571259181 945377816 /nfs/dbraw/zinc/37/78/16/945377816.db2.gz DEOALZJLBRLLMB-KCXAZCMYSA-N 0 3 385.447 0.743 20 0 GCADHN O=C(N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1)C12CC[NH+](CC1)C2 ZINC001571259859 945402101 /nfs/dbraw/zinc/40/21/01/945402101.db2.gz LSXIGPTXWUBRCG-UHFFFAOYSA-N 0 3 385.447 0.746 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571263804 945467029 /nfs/dbraw/zinc/46/70/29/945467029.db2.gz BIELABMGGNBPRB-HOCLYGCPSA-N 0 3 385.472 0.518 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571263804 945467034 /nfs/dbraw/zinc/46/70/34/945467034.db2.gz BIELABMGGNBPRB-HOCLYGCPSA-N 0 3 385.472 0.518 20 0 GCADHN CN(C(=O)[C@@H]1CN(C)CCO1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571264087 945475619 /nfs/dbraw/zinc/47/56/19/945475619.db2.gz FTXWDGYWHGEEHG-JCYILVPMSA-N 0 3 385.472 0.276 20 0 GCADHN CN(C(=O)[C@@H]1CN(C)CCO1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571264087 945475625 /nfs/dbraw/zinc/47/56/25/945475625.db2.gz FTXWDGYWHGEEHG-JCYILVPMSA-N 0 3 385.472 0.276 20 0 GCADHN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266202 945533949 /nfs/dbraw/zinc/53/39/49/945533949.db2.gz NMOUFZJCFLZNGI-ZFWWWQNUSA-N 0 3 385.476 0.934 20 0 GCADHN CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266202 945533960 /nfs/dbraw/zinc/53/39/60/945533960.db2.gz NMOUFZJCFLZNGI-ZFWWWQNUSA-N 0 3 385.476 0.934 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571266368 945539756 /nfs/dbraw/zinc/53/97/56/945539756.db2.gz PIBNKNHTKDMTEY-DZGCQCFKSA-N 0 3 385.476 0.932 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571266368 945539763 /nfs/dbraw/zinc/53/97/63/945539763.db2.gz PIBNKNHTKDMTEY-DZGCQCFKSA-N 0 3 385.476 0.932 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571266728 945552299 /nfs/dbraw/zinc/55/22/99/945552299.db2.gz YBRXZFKDCMKVDW-KBPBESRZSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571266728 945552308 /nfs/dbraw/zinc/55/23/08/945552308.db2.gz YBRXZFKDCMKVDW-KBPBESRZSA-N 0 3 385.476 0.649 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001571267352 945566583 /nfs/dbraw/zinc/56/65/83/945566583.db2.gz RMYSANABRFZPHM-LBPRGKRZSA-N 0 3 386.391 0.983 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001571267352 945566592 /nfs/dbraw/zinc/56/65/92/945566592.db2.gz RMYSANABRFZPHM-LBPRGKRZSA-N 0 3 386.391 0.983 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001571267352 945566601 /nfs/dbraw/zinc/56/66/01/945566601.db2.gz RMYSANABRFZPHM-LBPRGKRZSA-N 0 3 386.391 0.983 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001571267352 945566607 /nfs/dbraw/zinc/56/66/07/945566607.db2.gz RMYSANABRFZPHM-LBPRGKRZSA-N 0 3 386.391 0.983 20 0 GCADHN O=C(c1ncc[nH]1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571268301 945591037 /nfs/dbraw/zinc/59/10/37/945591037.db2.gz QYLGJNSAEFHVBF-LBPRGKRZSA-N 0 3 386.391 0.360 20 0 GCADHN O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571269218 945615706 /nfs/dbraw/zinc/61/57/06/945615706.db2.gz SMSWGFLLKKOXRJ-KGLIPLIRSA-N 0 3 386.435 0.755 20 0 GCADHN O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571269218 945615710 /nfs/dbraw/zinc/61/57/10/945615710.db2.gz SMSWGFLLKKOXRJ-KGLIPLIRSA-N 0 3 386.435 0.755 20 0 GCADHN O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571269220 945615932 /nfs/dbraw/zinc/61/59/32/945615932.db2.gz SMSWGFLLKKOXRJ-ZIAGYGMSSA-N 0 3 386.435 0.755 20 0 GCADHN O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571269220 945615935 /nfs/dbraw/zinc/61/59/35/945615935.db2.gz SMSWGFLLKKOXRJ-ZIAGYGMSSA-N 0 3 386.435 0.755 20 0 GCADHN Cc1cc(N2C[C@@H](C)[C@H](NC(=O)c3csc(=O)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571269895 945627526 /nfs/dbraw/zinc/62/75/26/945627526.db2.gz HCTKBZOYIZBKTD-LDYMZIIASA-N 0 3 386.441 0.987 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821189491 945649250 /nfs/dbraw/zinc/64/92/50/945649250.db2.gz MWZAOXTVYJUNBH-IAGOWNOFSA-N 0 3 387.488 0.826 20 0 GCADHN C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272373 945661343 /nfs/dbraw/zinc/66/13/43/945661343.db2.gz CGKULAVEBZZXAN-KYOSRNDESA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1C[N@H+]([C@H]2CCCN(C)C2=O)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272373 945661347 /nfs/dbraw/zinc/66/13/47/945661347.db2.gz CGKULAVEBZZXAN-KYOSRNDESA-N 0 3 386.460 0.113 20 0 GCADHN C[NH+]1CCC(CC(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001571272711 945669870 /nfs/dbraw/zinc/66/98/70/945669870.db2.gz ICNSXWQWFINVRR-CYBMUJFWSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571272795 945671898 /nfs/dbraw/zinc/67/18/98/945671898.db2.gz IKYVRGJLPFXZCF-OBJOEFQTSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571272795 945671902 /nfs/dbraw/zinc/67/19/02/945671902.db2.gz IKYVRGJLPFXZCF-OBJOEFQTSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571272795 945671906 /nfs/dbraw/zinc/67/19/06/945671906.db2.gz IKYVRGJLPFXZCF-OBJOEFQTSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571272795 945671911 /nfs/dbraw/zinc/67/19/11/945671911.db2.gz IKYVRGJLPFXZCF-OBJOEFQTSA-N 0 3 386.460 0.161 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001571273047 945677805 /nfs/dbraw/zinc/67/78/05/945677805.db2.gz NXRSVFGCUCESAM-JSGCOSHPSA-N 0 3 386.460 0.448 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821352234 945679862 /nfs/dbraw/zinc/67/98/62/945679862.db2.gz ZUMLPEDMWVDHOJ-GFCCVEGCSA-N 0 3 393.423 0.417 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821352234 945679872 /nfs/dbraw/zinc/67/98/72/945679872.db2.gz ZUMLPEDMWVDHOJ-GFCCVEGCSA-N 0 3 393.423 0.417 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+]1C[C@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273139 945680417 /nfs/dbraw/zinc/68/04/17/945680417.db2.gz QFDUYMFIBVBUTN-CHWSQXEVSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+]1C[C@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273139 945680421 /nfs/dbraw/zinc/68/04/21/945680421.db2.gz QFDUYMFIBVBUTN-CHWSQXEVSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@@H+]1C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273139 945680425 /nfs/dbraw/zinc/68/04/25/945680425.db2.gz QFDUYMFIBVBUTN-CHWSQXEVSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@H]1CCC[N@H+]1C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273139 945680430 /nfs/dbraw/zinc/68/04/30/945680430.db2.gz QFDUYMFIBVBUTN-CHWSQXEVSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273366 945685651 /nfs/dbraw/zinc/68/56/51/945685651.db2.gz WKQQTXAHSAVOJY-LALPHHSUSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273366 945685659 /nfs/dbraw/zinc/68/56/59/945685659.db2.gz WKQQTXAHSAVOJY-LALPHHSUSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273366 945685665 /nfs/dbraw/zinc/68/56/65/945685665.db2.gz WKQQTXAHSAVOJY-LALPHHSUSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H]1C[N@@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273366 945685670 /nfs/dbraw/zinc/68/56/70/945685670.db2.gz WKQQTXAHSAVOJY-LALPHHSUSA-N 0 3 386.460 0.161 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCC1 ZINC001571275936 945719899 /nfs/dbraw/zinc/71/98/99/945719899.db2.gz FXAKAEBYEHOJMM-BETUJISGSA-N 0 3 386.460 0.446 20 0 GCADHN O=C(CN1CCCC1=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571276190 945727782 /nfs/dbraw/zinc/72/77/82/945727782.db2.gz DYKKVLPHXFELKZ-JOCQHMNTSA-N 0 3 387.419 0.365 20 0 GCADHN O=C(CN1CCCC1=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571276190 945727790 /nfs/dbraw/zinc/72/77/90/945727790.db2.gz DYKKVLPHXFELKZ-JOCQHMNTSA-N 0 3 387.419 0.365 20 0 GCADHN CN1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CC1=O ZINC001571277836 945746808 /nfs/dbraw/zinc/74/68/08/945746808.db2.gz UCBWJKYGYSBPCL-STQMWFEESA-N 0 3 387.419 0.175 20 0 GCADHN CN1C[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CC1=O ZINC001571277836 945746818 /nfs/dbraw/zinc/74/68/18/945746818.db2.gz UCBWJKYGYSBPCL-STQMWFEESA-N 0 3 387.419 0.175 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571278022 945746948 /nfs/dbraw/zinc/74/69/48/945746948.db2.gz UTHCRTZYCZIWDV-HUBLWGQQSA-N 0 3 387.419 0.363 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571278022 945746956 /nfs/dbraw/zinc/74/69/56/945746956.db2.gz UTHCRTZYCZIWDV-HUBLWGQQSA-N 0 3 387.419 0.363 20 0 GCADHN CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571278436 945753518 /nfs/dbraw/zinc/75/35/18/945753518.db2.gz NGCLSKDEAZPWSX-JSGCOSHPSA-N 0 3 386.460 0.257 20 0 GCADHN CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571278442 945753543 /nfs/dbraw/zinc/75/35/43/945753543.db2.gz NGCLSKDEAZPWSX-OCCSQVGLSA-N 0 3 386.460 0.257 20 0 GCADHN CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(N)=O ZINC001571278536 945755691 /nfs/dbraw/zinc/75/56/91/945755691.db2.gz PBZQHLGXLVLZJW-PSEXLTFBSA-N 0 3 386.460 0.574 20 0 GCADHN CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H](C)C2)C1=O ZINC001571278956 945764426 /nfs/dbraw/zinc/76/44/26/945764426.db2.gz SPUMGKNJLNQODM-UXIGCNINSA-N 0 3 386.460 0.113 20 0 GCADHN CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H](C)C2)C1=O ZINC001571278956 945764434 /nfs/dbraw/zinc/76/44/34/945764434.db2.gz SPUMGKNJLNQODM-UXIGCNINSA-N 0 3 386.460 0.113 20 0 GCADHN CC(C)(C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[NH+]1CCCC1 ZINC001571278940 945765798 /nfs/dbraw/zinc/76/57/98/945765798.db2.gz SBDKGNNEDQLEGC-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1[NH2+]CCN1CCCC1=O ZINC001571279967 945792260 /nfs/dbraw/zinc/79/22/60/945792260.db2.gz YLFNGFVXCWIFAH-STQMWFEESA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1[NH2+]CCN1CCCC1=O ZINC001571279967 945792263 /nfs/dbraw/zinc/79/22/63/945792263.db2.gz YLFNGFVXCWIFAH-STQMWFEESA-N 0 3 386.460 0.257 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573447439 945798946 /nfs/dbraw/zinc/79/89/46/945798946.db2.gz YQPSSRFCQLOBJO-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[NH+](C)C ZINC001571283148 945875242 /nfs/dbraw/zinc/87/52/42/945875242.db2.gz ACNJVLKGDWKFKH-CZUORRHYSA-N 0 3 387.492 0.893 20 0 GCADHN CC(=O)N[C@@](C)(C(=O)NCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573455566 945886208 /nfs/dbraw/zinc/88/62/08/945886208.db2.gz FEJVSSITZAUKTH-LJQANCHMSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N[C@@](C)(C(=O)NCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573455566 945886216 /nfs/dbraw/zinc/88/62/16/945886216.db2.gz FEJVSSITZAUKTH-LJQANCHMSA-N 0 3 387.488 0.966 20 0 GCADHN CC(C)[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)[NH+](C)C ZINC001571284720 945905887 /nfs/dbraw/zinc/90/58/87/945905887.db2.gz UQZOWIRBIQMGJF-HIFRSBDPSA-N 0 3 387.492 0.892 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573459618 945915836 /nfs/dbraw/zinc/91/58/36/945915836.db2.gz HRFZTQPJEOTBMW-MRXNPFEDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573459618 945915842 /nfs/dbraw/zinc/91/58/42/945915842.db2.gz HRFZTQPJEOTBMW-MRXNPFEDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573460809 945918606 /nfs/dbraw/zinc/91/86/06/945918606.db2.gz MCCVITNDEXQVSM-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573460809 945918614 /nfs/dbraw/zinc/91/86/14/945918614.db2.gz MCCVITNDEXQVSM-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573462001 945926723 /nfs/dbraw/zinc/92/67/23/945926723.db2.gz VRFJAGIFAWCBCT-INIZCTEOSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573462001 945926735 /nfs/dbraw/zinc/92/67/35/945926735.db2.gz VRFJAGIFAWCBCT-INIZCTEOSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573462242 945935394 /nfs/dbraw/zinc/93/53/94/945935394.db2.gz DJOJXSDVMKICAP-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573462242 945935405 /nfs/dbraw/zinc/93/54/05/945935405.db2.gz DJOJXSDVMKICAP-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573462366 945940371 /nfs/dbraw/zinc/94/03/71/945940371.db2.gz HMYUXCLIFYIYRY-INIZCTEOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573462366 945940379 /nfs/dbraw/zinc/94/03/79/945940379.db2.gz HMYUXCLIFYIYRY-INIZCTEOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573462390 945940759 /nfs/dbraw/zinc/94/07/59/945940759.db2.gz IBMMJNBOMMFFMS-INIZCTEOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573462390 945940766 /nfs/dbraw/zinc/94/07/66/945940766.db2.gz IBMMJNBOMMFFMS-INIZCTEOSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573463157 945951858 /nfs/dbraw/zinc/95/18/58/945951858.db2.gz RQAWXXZFYVVMQV-SNVBAGLBSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001573463358 945954967 /nfs/dbraw/zinc/95/49/67/945954967.db2.gz VPAAAQOAYZTCAS-UHFFFAOYSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573467926 945986909 /nfs/dbraw/zinc/98/69/09/945986909.db2.gz JHFKVLREVMFDKI-YVEFUNNKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573467926 945986914 /nfs/dbraw/zinc/98/69/14/945986914.db2.gz JHFKVLREVMFDKI-YVEFUNNKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573469425 946006281 /nfs/dbraw/zinc/00/62/81/946006281.db2.gz VVXYWMAIEDWHGI-JOCQHMNTSA-N 0 3 389.435 0.657 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573469425 946006295 /nfs/dbraw/zinc/00/62/95/946006295.db2.gz VVXYWMAIEDWHGI-JOCQHMNTSA-N 0 3 389.435 0.657 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470306 946019039 /nfs/dbraw/zinc/01/90/39/946019039.db2.gz CNWKZETWFRMYMX-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573470306 946019043 /nfs/dbraw/zinc/01/90/43/946019043.db2.gz CNWKZETWFRMYMX-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470311 946020412 /nfs/dbraw/zinc/02/04/12/946020412.db2.gz CQVNBBKJVBXCHX-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573470311 946020417 /nfs/dbraw/zinc/02/04/17/946020417.db2.gz CQVNBBKJVBXCHX-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571289859 946020753 /nfs/dbraw/zinc/02/07/53/946020753.db2.gz OEXACUYKEPNOKD-GXTWGEPZSA-N 0 3 388.451 0.828 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571289859 946020761 /nfs/dbraw/zinc/02/07/61/946020761.db2.gz OEXACUYKEPNOKD-GXTWGEPZSA-N 0 3 388.451 0.828 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571289859 946020769 /nfs/dbraw/zinc/02/07/69/946020769.db2.gz OEXACUYKEPNOKD-GXTWGEPZSA-N 0 3 388.451 0.828 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571289859 946020778 /nfs/dbraw/zinc/02/07/78/946020778.db2.gz OEXACUYKEPNOKD-GXTWGEPZSA-N 0 3 388.451 0.828 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573470337 946021542 /nfs/dbraw/zinc/02/15/42/946021542.db2.gz CXBBUGPBRGPUSN-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573470337 946021552 /nfs/dbraw/zinc/02/15/52/946021552.db2.gz CXBBUGPBRGPUSN-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC(C)([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573470339 946023243 /nfs/dbraw/zinc/02/32/43/946023243.db2.gz CXZWPXMOZQLHNQ-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC(C)([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573470339 946023254 /nfs/dbraw/zinc/02/32/54/946023254.db2.gz CXZWPXMOZQLHNQ-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+](C)C ZINC001571290108 946028685 /nfs/dbraw/zinc/02/86/85/946028685.db2.gz VMCLDDDZQBHWOR-HIFRSBDPSA-N 0 3 388.476 0.502 20 0 GCADHN CC(C)(O)CC(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571290292 946034282 /nfs/dbraw/zinc/03/42/82/946034282.db2.gz ZUFBHTXXRPJWEH-MRXNPFEDSA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)(O)CC(=O)N1CCCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571290292 946034294 /nfs/dbraw/zinc/03/42/94/946034294.db2.gz ZUFBHTXXRPJWEH-MRXNPFEDSA-N 0 3 388.472 0.735 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573471157 946044792 /nfs/dbraw/zinc/04/47/92/946044792.db2.gz MTIQOKFGNYVBKD-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573471157 946044806 /nfs/dbraw/zinc/04/48/06/946044806.db2.gz MTIQOKFGNYVBKD-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573471209 946045707 /nfs/dbraw/zinc/04/57/07/946045707.db2.gz NERPMBUGIPSQJB-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573471209 946045721 /nfs/dbraw/zinc/04/57/21/946045721.db2.gz NERPMBUGIPSQJB-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573471238 946046940 /nfs/dbraw/zinc/04/69/40/946046940.db2.gz NIXZAOIUTDIEKJ-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573471238 946046948 /nfs/dbraw/zinc/04/69/48/946046948.db2.gz NIXZAOIUTDIEKJ-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573471238 946046963 /nfs/dbraw/zinc/04/69/63/946046963.db2.gz NIXZAOIUTDIEKJ-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573471238 946046975 /nfs/dbraw/zinc/04/69/75/946046975.db2.gz NIXZAOIUTDIEKJ-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573471696 946054429 /nfs/dbraw/zinc/05/44/29/946054429.db2.gz QKCAQCYZCIIGRY-GXFFZTMASA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573471686 946055298 /nfs/dbraw/zinc/05/52/98/946055298.db2.gz QFZRTXVYYLRMFX-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472670 946069013 /nfs/dbraw/zinc/06/90/13/946069013.db2.gz XEZNCJICBGLPCX-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472670 946069025 /nfs/dbraw/zinc/06/90/25/946069025.db2.gz XEZNCJICBGLPCX-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472670 946069036 /nfs/dbraw/zinc/06/90/36/946069036.db2.gz XEZNCJICBGLPCX-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472670 946069047 /nfs/dbraw/zinc/06/90/47/946069047.db2.gz XEZNCJICBGLPCX-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571291184 946072705 /nfs/dbraw/zinc/07/27/05/946072705.db2.gz FRRNMKDKNGSWHZ-FZMZJTMJSA-N 0 3 389.391 0.147 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571291184 946072719 /nfs/dbraw/zinc/07/27/19/946072719.db2.gz FRRNMKDKNGSWHZ-FZMZJTMJSA-N 0 3 389.391 0.147 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@](C)(C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573475732 946105159 /nfs/dbraw/zinc/10/51/59/946105159.db2.gz WVYGABMSESSEDS-HXPMCKFVSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@](C)(C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573475732 946105166 /nfs/dbraw/zinc/10/51/66/946105166.db2.gz WVYGABMSESSEDS-HXPMCKFVSA-N 0 3 385.472 0.766 20 0 GCADHN O=C(NC[C@@H]1CC2(CO1)CC[NH+](CCCO)CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571293598 946111578 /nfs/dbraw/zinc/11/15/78/946111578.db2.gz MEOPSUMQJHEHAT-AWEZNQCLSA-N 0 3 389.460 0.178 20 0 GCADHN O=C(NC[C@@H]1CC2(CO1)CC[NH+](CCCO)CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571293598 946111589 /nfs/dbraw/zinc/11/15/89/946111589.db2.gz MEOPSUMQJHEHAT-AWEZNQCLSA-N 0 3 389.460 0.178 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573476190 946115805 /nfs/dbraw/zinc/11/58/05/946115805.db2.gz DDZAOAGJOMSXIP-QLJPJBMISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573476190 946115812 /nfs/dbraw/zinc/11/58/12/946115812.db2.gz DDZAOAGJOMSXIP-QLJPJBMISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573477091 946130732 /nfs/dbraw/zinc/13/07/32/946130732.db2.gz MQHIBKIHNAUFBM-HWPZZCPQSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573477273 946132879 /nfs/dbraw/zinc/13/28/79/946132879.db2.gz NUFVGUJBSUIKHK-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573477273 946132884 /nfs/dbraw/zinc/13/28/84/946132884.db2.gz NUFVGUJBSUIKHK-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573477349 946134705 /nfs/dbraw/zinc/13/47/05/946134705.db2.gz PBQRWCKNGBJXNT-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573477349 946134709 /nfs/dbraw/zinc/13/47/09/946134709.db2.gz PBQRWCKNGBJXNT-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573477349 946134715 /nfs/dbraw/zinc/13/47/15/946134715.db2.gz PBQRWCKNGBJXNT-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573477349 946134720 /nfs/dbraw/zinc/13/47/20/946134720.db2.gz PBQRWCKNGBJXNT-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573477350 946134790 /nfs/dbraw/zinc/13/47/90/946134790.db2.gz PBQRWCKNGBJXNT-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573477350 946134794 /nfs/dbraw/zinc/13/47/94/946134794.db2.gz PBQRWCKNGBJXNT-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573477350 946134798 /nfs/dbraw/zinc/13/47/98/946134798.db2.gz PBQRWCKNGBJXNT-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573477350 946134802 /nfs/dbraw/zinc/13/48/02/946134802.db2.gz PBQRWCKNGBJXNT-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573477806 946143593 /nfs/dbraw/zinc/14/35/93/946143593.db2.gz UGEXOWIIIBLBAG-VLRKGOCCSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573477806 946143599 /nfs/dbraw/zinc/14/35/99/946143599.db2.gz UGEXOWIIIBLBAG-VLRKGOCCSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573478097 946146170 /nfs/dbraw/zinc/14/61/70/946146170.db2.gz VISOQLAPQQASQP-HWPZZCPQSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573478097 946146174 /nfs/dbraw/zinc/14/61/74/946146174.db2.gz VISOQLAPQQASQP-HWPZZCPQSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573478607 946150651 /nfs/dbraw/zinc/15/06/51/946150651.db2.gz XRKQKUHSSILEHN-QFYYESIMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573478605 946150782 /nfs/dbraw/zinc/15/07/82/946150782.db2.gz XRKQKUHSSILEHN-MGPLVRAMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573479176 946154317 /nfs/dbraw/zinc/15/43/17/946154317.db2.gz AEJSALCYEVNBGO-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573479176 946154325 /nfs/dbraw/zinc/15/43/25/946154325.db2.gz AEJSALCYEVNBGO-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571295743 946174308 /nfs/dbraw/zinc/17/43/08/946174308.db2.gz DWDHOWZOGBYKNS-CJNGLKHVSA-N 0 3 390.419 0.502 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571295743 946174315 /nfs/dbraw/zinc/17/43/15/946174315.db2.gz DWDHOWZOGBYKNS-CJNGLKHVSA-N 0 3 390.419 0.502 20 0 GCADHN O=C([C@H]1COCCO1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571295744 946175249 /nfs/dbraw/zinc/17/52/49/946175249.db2.gz DWDHOWZOGBYKNS-CZUORRHYSA-N 0 3 390.419 0.502 20 0 GCADHN O=C([C@H]1COCCO1)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571295744 946175258 /nfs/dbraw/zinc/17/52/58/946175258.db2.gz DWDHOWZOGBYKNS-CZUORRHYSA-N 0 3 390.419 0.502 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571295742 946175276 /nfs/dbraw/zinc/17/52/76/946175276.db2.gz DWDHOWZOGBYKNS-BBRMVZONSA-N 0 3 390.419 0.502 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571295742 946175289 /nfs/dbraw/zinc/17/52/89/946175289.db2.gz DWDHOWZOGBYKNS-BBRMVZONSA-N 0 3 390.419 0.502 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573481394 946182890 /nfs/dbraw/zinc/18/28/90/946182890.db2.gz PBDAXNAMFOUXKB-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573481394 946182903 /nfs/dbraw/zinc/18/29/03/946182903.db2.gz PBDAXNAMFOUXKB-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573481394 946182916 /nfs/dbraw/zinc/18/29/16/946182916.db2.gz PBDAXNAMFOUXKB-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573481394 946182924 /nfs/dbraw/zinc/18/29/24/946182924.db2.gz PBDAXNAMFOUXKB-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573481702 946186358 /nfs/dbraw/zinc/18/63/58/946186358.db2.gz RBSBBDJOYRXEIJ-BZNIZROVSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001573481702 946186365 /nfs/dbraw/zinc/18/63/65/946186365.db2.gz RBSBBDJOYRXEIJ-BZNIZROVSA-N 0 3 391.451 0.761 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001571296192 946186994 /nfs/dbraw/zinc/18/69/94/946186994.db2.gz QBTIJWXWRRCFCZ-XJKSGUPXSA-N 0 3 390.419 0.454 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001571296192 946187001 /nfs/dbraw/zinc/18/70/01/946187001.db2.gz QBTIJWXWRRCFCZ-XJKSGUPXSA-N 0 3 390.419 0.454 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573482043 946188702 /nfs/dbraw/zinc/18/87/02/946188702.db2.gz UAUFUDYIOCPIHQ-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573482043 946188708 /nfs/dbraw/zinc/18/87/08/946188708.db2.gz UAUFUDYIOCPIHQ-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573482044 946190881 /nfs/dbraw/zinc/19/08/81/946190881.db2.gz UAUFUDYIOCPIHQ-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573482044 946190886 /nfs/dbraw/zinc/19/08/86/946190886.db2.gz UAUFUDYIOCPIHQ-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN O=C([C@@H]1CCCS1(=O)=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571298226 946210095 /nfs/dbraw/zinc/21/00/95/946210095.db2.gz KKQRUOOBDLIGNH-HIFRSBDPSA-N 0 3 390.469 0.134 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573485540 946230062 /nfs/dbraw/zinc/23/00/62/946230062.db2.gz VHBPLTXIHSGMCD-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573485540 946230074 /nfs/dbraw/zinc/23/00/74/946230074.db2.gz VHBPLTXIHSGMCD-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573485540 946230084 /nfs/dbraw/zinc/23/00/84/946230084.db2.gz VHBPLTXIHSGMCD-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573485540 946230097 /nfs/dbraw/zinc/23/00/97/946230097.db2.gz VHBPLTXIHSGMCD-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC1(C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001573488624 946271260 /nfs/dbraw/zinc/27/12/60/946271260.db2.gz GEZVRBDOGKZHTC-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)N[C@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001573488624 946271274 /nfs/dbraw/zinc/27/12/74/946271274.db2.gz GEZVRBDOGKZHTC-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1-c1nnn[n-]1 ZINC001571300220 946276375 /nfs/dbraw/zinc/27/63/75/946276375.db2.gz XHLASSVCEFXSNZ-KGYLQXTDSA-N 0 3 390.517 0.914 20 0 GCADHN Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1-c1nnn[n-]1 ZINC001571300220 946276381 /nfs/dbraw/zinc/27/63/81/946276381.db2.gz XHLASSVCEFXSNZ-KGYLQXTDSA-N 0 3 390.517 0.914 20 0 GCADHN NC(=O)[C@@H]1C[NH+](Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C[C@H]1C(N)=O ZINC001571303565 946339650 /nfs/dbraw/zinc/33/96/50/946339650.db2.gz NPVLBVUVSGFWOI-IAGOWNOFSA-N 0 3 391.435 0.552 20 0 GCADHN NC(=O)[C@@H]1C[NH+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C[C@H]1C(N)=O ZINC001571303565 946339663 /nfs/dbraw/zinc/33/96/63/946339663.db2.gz NPVLBVUVSGFWOI-IAGOWNOFSA-N 0 3 391.435 0.552 20 0 GCADHN NC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C[C@H]1C(N)=O ZINC001571303563 946339768 /nfs/dbraw/zinc/33/97/68/946339768.db2.gz NPVLBVUVSGFWOI-CALCHBBNSA-N 0 3 391.435 0.552 20 0 GCADHN NC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C[C@H]1C(N)=O ZINC001571303563 946339778 /nfs/dbraw/zinc/33/97/78/946339778.db2.gz NPVLBVUVSGFWOI-CALCHBBNSA-N 0 3 391.435 0.552 20 0 GCADHN NC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C[C@H]1C(N)=O ZINC001571303563 946339792 /nfs/dbraw/zinc/33/97/92/946339792.db2.gz NPVLBVUVSGFWOI-CALCHBBNSA-N 0 3 391.435 0.552 20 0 GCADHN NC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C[C@H]1C(N)=O ZINC001571303563 946339802 /nfs/dbraw/zinc/33/98/02/946339802.db2.gz NPVLBVUVSGFWOI-CALCHBBNSA-N 0 3 391.435 0.552 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573497532 946351913 /nfs/dbraw/zinc/35/19/13/946351913.db2.gz RUMIQKUJAOCVBB-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573497532 946351926 /nfs/dbraw/zinc/35/19/26/946351926.db2.gz RUMIQKUJAOCVBB-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571305825 946376123 /nfs/dbraw/zinc/37/61/23/946376123.db2.gz KZMGCPXTLHUMIC-QWHCGFSZSA-N 0 3 391.501 0.197 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571305825 946376136 /nfs/dbraw/zinc/37/61/36/946376136.db2.gz KZMGCPXTLHUMIC-QWHCGFSZSA-N 0 3 391.501 0.197 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573502065 946384927 /nfs/dbraw/zinc/38/49/27/946384927.db2.gz UYDXUVXPKMKSJK-BMIGLBTASA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573502065 946384940 /nfs/dbraw/zinc/38/49/40/946384940.db2.gz UYDXUVXPKMKSJK-BMIGLBTASA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573502055 946385964 /nfs/dbraw/zinc/38/59/64/946385964.db2.gz UVJFHBWTRRLDCN-OAHLLOKOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573502055 946385979 /nfs/dbraw/zinc/38/59/79/946385979.db2.gz UVJFHBWTRRLDCN-OAHLLOKOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573502446 946387828 /nfs/dbraw/zinc/38/78/28/946387828.db2.gz WAAQEDFSOPGTFN-UHFFFAOYSA-N 0 3 391.451 0.716 20 0 GCADHN CC(=O)NCC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573502446 946387841 /nfs/dbraw/zinc/38/78/41/946387841.db2.gz WAAQEDFSOPGTFN-UHFFFAOYSA-N 0 3 391.451 0.716 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573502763 946389262 /nfs/dbraw/zinc/38/92/62/946389262.db2.gz YQAXWCMSVPMVGA-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573502763 946389273 /nfs/dbraw/zinc/38/92/73/946389273.db2.gz YQAXWCMSVPMVGA-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573503682 946396251 /nfs/dbraw/zinc/39/62/51/946396251.db2.gz BCBCKMUXQKEBDX-CYBMUJFWSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573503865 946398827 /nfs/dbraw/zinc/39/88/27/946398827.db2.gz CLBPTNBEHXYVSS-ZDUSSCGKSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573503865 946398839 /nfs/dbraw/zinc/39/88/39/946398839.db2.gz CLBPTNBEHXYVSS-ZDUSSCGKSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573504122 946406031 /nfs/dbraw/zinc/40/60/31/946406031.db2.gz GBTLJWQBEITABS-CQSZACIVSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573504122 946406038 /nfs/dbraw/zinc/40/60/38/946406038.db2.gz GBTLJWQBEITABS-CQSZACIVSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573505336 946419179 /nfs/dbraw/zinc/41/91/79/946419179.db2.gz MNSAGROODCNCAZ-ZDUSSCGKSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573505336 946419185 /nfs/dbraw/zinc/41/91/85/946419185.db2.gz MNSAGROODCNCAZ-ZDUSSCGKSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573505336 946419192 /nfs/dbraw/zinc/41/91/92/946419192.db2.gz MNSAGROODCNCAZ-ZDUSSCGKSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573505336 946419196 /nfs/dbraw/zinc/41/91/96/946419196.db2.gz MNSAGROODCNCAZ-ZDUSSCGKSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573506455 946434519 /nfs/dbraw/zinc/43/45/19/946434519.db2.gz QXCJEJDGSXTHPF-CVEARBPZSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573506455 946434522 /nfs/dbraw/zinc/43/45/22/946434522.db2.gz QXCJEJDGSXTHPF-CVEARBPZSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573506455 946434525 /nfs/dbraw/zinc/43/45/25/946434525.db2.gz QXCJEJDGSXTHPF-CVEARBPZSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573506455 946434526 /nfs/dbraw/zinc/43/45/26/946434526.db2.gz QXCJEJDGSXTHPF-CVEARBPZSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573507413 946445297 /nfs/dbraw/zinc/44/52/97/946445297.db2.gz XSQSTUAUDFMKLW-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573507413 946445301 /nfs/dbraw/zinc/44/53/01/946445301.db2.gz XSQSTUAUDFMKLW-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573507702 946450745 /nfs/dbraw/zinc/45/07/45/946450745.db2.gz WZFJVMAZZYCICG-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573507702 946450751 /nfs/dbraw/zinc/45/07/51/946450751.db2.gz WZFJVMAZZYCICG-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573507726 946451235 /nfs/dbraw/zinc/45/12/35/946451235.db2.gz XIPFBXWWKXRIIS-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573507726 946451242 /nfs/dbraw/zinc/45/12/42/946451242.db2.gz XIPFBXWWKXRIIS-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573508083 946453368 /nfs/dbraw/zinc/45/33/68/946453368.db2.gz YBSKKFYJAAUMOM-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573508083 946453375 /nfs/dbraw/zinc/45/33/75/946453375.db2.gz YBSKKFYJAAUMOM-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573509199 946459806 /nfs/dbraw/zinc/45/98/06/946459806.db2.gz GVTIYAYXGAGOMX-AWEZNQCLSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573509199 946459811 /nfs/dbraw/zinc/45/98/11/946459811.db2.gz GVTIYAYXGAGOMX-AWEZNQCLSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573510499 946479497 /nfs/dbraw/zinc/47/94/97/946479497.db2.gz IUEKYVWXZJNEGD-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573510499 946479502 /nfs/dbraw/zinc/47/95/02/946479502.db2.gz IUEKYVWXZJNEGD-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573510499 946479510 /nfs/dbraw/zinc/47/95/10/946479510.db2.gz IUEKYVWXZJNEGD-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573510499 946479516 /nfs/dbraw/zinc/47/95/16/946479516.db2.gz IUEKYVWXZJNEGD-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573510719 946479759 /nfs/dbraw/zinc/47/97/59/946479759.db2.gz JYUSGCJRCJKVFZ-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573510719 946479765 /nfs/dbraw/zinc/47/97/65/946479765.db2.gz JYUSGCJRCJKVFZ-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573511007 946481930 /nfs/dbraw/zinc/48/19/30/946481930.db2.gz LRLBOXUATJHYEG-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573511007 946481935 /nfs/dbraw/zinc/48/19/35/946481935.db2.gz LRLBOXUATJHYEG-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573511585 946487445 /nfs/dbraw/zinc/48/74/45/946487445.db2.gz BTNDDUZAYLVCEP-HOCLYGCPSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573511585 946487453 /nfs/dbraw/zinc/48/74/53/946487453.db2.gz BTNDDUZAYLVCEP-HOCLYGCPSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573512197 946495581 /nfs/dbraw/zinc/49/55/81/946495581.db2.gz VTSIPEBDGZXVNZ-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573512197 946495589 /nfs/dbraw/zinc/49/55/89/946495589.db2.gz VTSIPEBDGZXVNZ-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573512457 946497435 /nfs/dbraw/zinc/49/74/35/946497435.db2.gz GENZZZILCCWXJV-ALOPSCKCSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573512457 946497443 /nfs/dbraw/zinc/49/74/43/946497443.db2.gz GENZZZILCCWXJV-ALOPSCKCSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573512457 946497450 /nfs/dbraw/zinc/49/74/50/946497450.db2.gz GENZZZILCCWXJV-ALOPSCKCSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573512457 946497457 /nfs/dbraw/zinc/49/74/57/946497457.db2.gz GENZZZILCCWXJV-ALOPSCKCSA-N 0 3 383.456 0.614 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573514525 946527431 /nfs/dbraw/zinc/52/74/31/946527431.db2.gz ZHODADATFLCQBI-IRXDYDNUSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573514525 946527433 /nfs/dbraw/zinc/52/74/33/946527433.db2.gz ZHODADATFLCQBI-IRXDYDNUSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573514523 946527592 /nfs/dbraw/zinc/52/75/92/946527592.db2.gz ZHODADATFLCQBI-DLBZAZTESA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573514523 946527597 /nfs/dbraw/zinc/52/75/97/946527597.db2.gz ZHODADATFLCQBI-DLBZAZTESA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573516421 946561662 /nfs/dbraw/zinc/56/16/62/946561662.db2.gz ZDFKDMOKCIWBME-OAHLLOKOSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573516421 946561668 /nfs/dbraw/zinc/56/16/68/946561668.db2.gz ZDFKDMOKCIWBME-OAHLLOKOSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573517531 946576921 /nfs/dbraw/zinc/57/69/21/946576921.db2.gz MMAYSXJJQFAJQO-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573517531 946576929 /nfs/dbraw/zinc/57/69/29/946576929.db2.gz MMAYSXJJQFAJQO-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573517531 946576941 /nfs/dbraw/zinc/57/69/41/946576941.db2.gz MMAYSXJJQFAJQO-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573517531 946576952 /nfs/dbraw/zinc/57/69/52/946576952.db2.gz MMAYSXJJQFAJQO-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573518316 946587017 /nfs/dbraw/zinc/58/70/17/946587017.db2.gz YSOOUZKHCJBPDX-IBGZPJMESA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573518316 946587026 /nfs/dbraw/zinc/58/70/26/946587026.db2.gz YSOOUZKHCJBPDX-IBGZPJMESA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NCCC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573520592 946598227 /nfs/dbraw/zinc/59/82/27/946598227.db2.gz LSKOQEFCBXKJFV-UHFFFAOYSA-N 0 3 389.435 0.518 20 0 GCADHN CC(=O)NCC(=O)NCCC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573520592 946598238 /nfs/dbraw/zinc/59/82/38/946598238.db2.gz LSKOQEFCBXKJFV-UHFFFAOYSA-N 0 3 389.435 0.518 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573521742 946611361 /nfs/dbraw/zinc/61/13/61/946611361.db2.gz DMBIHVCNCLAWBR-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573521742 946611368 /nfs/dbraw/zinc/61/13/68/946611368.db2.gz DMBIHVCNCLAWBR-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573521776 946612928 /nfs/dbraw/zinc/61/29/28/946612928.db2.gz FZSKMGGNMKGQOU-YEORSEQZSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573521859 946615021 /nfs/dbraw/zinc/61/50/21/946615021.db2.gz LRVCKHRVHPVAEU-HZPDHXFCSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573521859 946615027 /nfs/dbraw/zinc/61/50/27/946615027.db2.gz LRVCKHRVHPVAEU-HZPDHXFCSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573523135 946633858 /nfs/dbraw/zinc/63/38/58/946633858.db2.gz OUHGFCPEBOZJHA-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573524104 946641248 /nfs/dbraw/zinc/64/12/48/946641248.db2.gz ZPEFPPVYFSRHQW-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573527761 946648076 /nfs/dbraw/zinc/64/80/76/946648076.db2.gz HITBBDWNKSAMRN-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573527761 946648085 /nfs/dbraw/zinc/64/80/85/946648085.db2.gz HITBBDWNKSAMRN-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)C(C)C ZINC001573535731 946725065 /nfs/dbraw/zinc/72/50/65/946725065.db2.gz IFPYHFBPQWOKFM-IXDOHACOSA-N 0 3 385.472 0.764 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)C(C)C ZINC001573535731 946725078 /nfs/dbraw/zinc/72/50/78/946725078.db2.gz IFPYHFBPQWOKFM-IXDOHACOSA-N 0 3 385.472 0.764 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573536186 946732073 /nfs/dbraw/zinc/73/20/73/946732073.db2.gz ROCRMOPKTDLRQJ-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CN(CCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)c1cc[nH+]cc1 ZINC000825914746 947367381 /nfs/dbraw/zinc/36/73/81/947367381.db2.gz MSVIWHAQFHGGBE-UHFFFAOYSA-N 0 3 393.455 0.832 20 0 GCADHN CN(CCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)c1cc[nH+]cc1 ZINC000825914746 947367390 /nfs/dbraw/zinc/36/73/90/947367390.db2.gz MSVIWHAQFHGGBE-UHFFFAOYSA-N 0 3 393.455 0.832 20 0 GCADHN C[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573593862 947380108 /nfs/dbraw/zinc/38/01/08/947380108.db2.gz LZKMLKKQEORGJB-LMWSTFAQSA-N 0 3 392.485 0.379 20 0 GCADHN C[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573593862 947380112 /nfs/dbraw/zinc/38/01/12/947380112.db2.gz LZKMLKKQEORGJB-LMWSTFAQSA-N 0 3 392.485 0.379 20 0 GCADHN C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000826016236 947402466 /nfs/dbraw/zinc/40/24/66/947402466.db2.gz BOXHEHXOONSLKZ-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000826016236 947402472 /nfs/dbraw/zinc/40/24/72/947402472.db2.gz BOXHEHXOONSLKZ-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826028815 947410078 /nfs/dbraw/zinc/41/00/78/947410078.db2.gz ILBSLUANPPHRJA-GJZGRUSLSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826028815 947410098 /nfs/dbraw/zinc/41/00/98/947410098.db2.gz ILBSLUANPPHRJA-GJZGRUSLSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826028815 947410103 /nfs/dbraw/zinc/41/01/03/947410103.db2.gz ILBSLUANPPHRJA-GJZGRUSLSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826028815 947410112 /nfs/dbraw/zinc/41/01/12/947410112.db2.gz ILBSLUANPPHRJA-GJZGRUSLSA-N 0 3 385.476 0.799 20 0 GCADHN C[C@H](C(=O)N(C)C)[NH+]1CCC(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573595242 947416906 /nfs/dbraw/zinc/41/69/06/947416906.db2.gz WWAKPIDCWPFEQX-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](C(=O)N(C)C)[NH+]1CCC(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573595576 947422111 /nfs/dbraw/zinc/42/21/11/947422111.db2.gz ZAFMDUZNUQFVDE-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](C(=O)N(C)C)[NH+]1CCC(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573595579 947422370 /nfs/dbraw/zinc/42/23/70/947422370.db2.gz ZAFMDUZNUQFVDE-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccn1 ZINC001573596809 947432321 /nfs/dbraw/zinc/43/23/21/947432321.db2.gz LFZPUIYMBQWGPO-XJKSGUPXSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC001573596809 947432326 /nfs/dbraw/zinc/43/23/26/947432326.db2.gz LFZPUIYMBQWGPO-XJKSGUPXSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC001573598999 947446565 /nfs/dbraw/zinc/44/65/65/947446565.db2.gz UADFCLCXXVQAKZ-JQWIXIFHSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC001573598999 947446575 /nfs/dbraw/zinc/44/65/75/947446575.db2.gz UADFCLCXXVQAKZ-JQWIXIFHSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573599392 947454794 /nfs/dbraw/zinc/45/47/94/947454794.db2.gz XRSRLKNJAIEGEK-BXUZGUMPSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573599754 947462914 /nfs/dbraw/zinc/46/29/14/947462914.db2.gz ZXFIGSWBYPWHMF-MFKMUULPSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573599754 947462924 /nfs/dbraw/zinc/46/29/24/947462924.db2.gz ZXFIGSWBYPWHMF-MFKMUULPSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573603571 947492946 /nfs/dbraw/zinc/49/29/46/947492946.db2.gz NRMKBKOIZIEAHL-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573603571 947492953 /nfs/dbraw/zinc/49/29/53/947492953.db2.gz NRMKBKOIZIEAHL-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573616741 947628017 /nfs/dbraw/zinc/62/80/17/947628017.db2.gz NGFVRHLGUHFUQF-JSGCOSHPSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573616741 947628025 /nfs/dbraw/zinc/62/80/25/947628025.db2.gz NGFVRHLGUHFUQF-JSGCOSHPSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573628884 947767359 /nfs/dbraw/zinc/76/73/59/947767359.db2.gz KVZHGVDGNKOQNC-CZUORRHYSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573628884 947767366 /nfs/dbraw/zinc/76/73/66/947767366.db2.gz KVZHGVDGNKOQNC-CZUORRHYSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573629667 947781793 /nfs/dbraw/zinc/78/17/93/947781793.db2.gz OYZGJNKMSOLNOI-GXTWGEPZSA-N 0 3 392.485 0.380 20 0 GCADHN Cc1ccnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c1-c1nn[nH]n1 ZINC000826310588 947897217 /nfs/dbraw/zinc/89/72/17/947897217.db2.gz ANBNMFCVQRAHLC-MRXNPFEDSA-N 0 3 386.504 0.801 20 0 GCADHN C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1)n1cncn1 ZINC001573647716 947902395 /nfs/dbraw/zinc/90/23/95/947902395.db2.gz SHVRTFQRMQMDHF-CKEIUWERSA-N 0 3 395.471 0.904 20 0 GCADHN C[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1)n1cncn1 ZINC001573647716 947902403 /nfs/dbraw/zinc/90/24/03/947902403.db2.gz SHVRTFQRMQMDHF-CKEIUWERSA-N 0 3 395.471 0.904 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573387952 947914403 /nfs/dbraw/zinc/91/44/03/947914403.db2.gz GUEXCMJOMWBNBI-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573387952 947914406 /nfs/dbraw/zinc/91/44/06/947914406.db2.gz GUEXCMJOMWBNBI-CXAGYDPISA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573387957 947915122 /nfs/dbraw/zinc/91/51/22/947915122.db2.gz GUEXCMJOMWBNBI-GUYCJALGSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573387957 947915128 /nfs/dbraw/zinc/91/51/28/947915128.db2.gz GUEXCMJOMWBNBI-GUYCJALGSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573388374 947918920 /nfs/dbraw/zinc/91/89/20/947918920.db2.gz LRQPQFLVLJJHQZ-BDJLRTHQSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573390677 947931738 /nfs/dbraw/zinc/93/17/38/947931738.db2.gz ZXMWETGMPKLITK-MRXNPFEDSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573390677 947931743 /nfs/dbraw/zinc/93/17/43/947931743.db2.gz ZXMWETGMPKLITK-MRXNPFEDSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573391950 947938856 /nfs/dbraw/zinc/93/88/56/947938856.db2.gz MPBXMJDRDSRJSQ-ZDUSSCGKSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573391787 947938895 /nfs/dbraw/zinc/93/88/95/947938895.db2.gz KNDJAHLUAZLXCE-CQSZACIVSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573391992 947939517 /nfs/dbraw/zinc/93/95/17/947939517.db2.gz OCTWNVWALAODOM-HNNXBMFYSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@H](C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573652796 947947435 /nfs/dbraw/zinc/94/74/35/947947435.db2.gz HJARWRUXBVEDJF-MLGOLLRUSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573652796 947947441 /nfs/dbraw/zinc/94/74/41/947947441.db2.gz HJARWRUXBVEDJF-MLGOLLRUSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573393752 947960365 /nfs/dbraw/zinc/96/03/65/947960365.db2.gz PYTMYUWQKPQKAW-AWEZNQCLSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573393752 947960369 /nfs/dbraw/zinc/96/03/69/947960369.db2.gz PYTMYUWQKPQKAW-AWEZNQCLSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H]1C ZINC001573394736 947965715 /nfs/dbraw/zinc/96/57/15/947965715.db2.gz VTXGRGOWYCQRLM-MEDUHNTESA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573395277 947968139 /nfs/dbraw/zinc/96/81/39/947968139.db2.gz YKQJHSWYKGICAA-CQSZACIVSA-N 0 3 389.435 0.517 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573395277 947968148 /nfs/dbraw/zinc/96/81/48/947968148.db2.gz YKQJHSWYKGICAA-CQSZACIVSA-N 0 3 389.435 0.517 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573395276 947968720 /nfs/dbraw/zinc/96/87/20/947968720.db2.gz YKQJHSWYKGICAA-AWEZNQCLSA-N 0 3 389.435 0.517 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573395276 947968730 /nfs/dbraw/zinc/96/87/30/947968730.db2.gz YKQJHSWYKGICAA-AWEZNQCLSA-N 0 3 389.435 0.517 20 0 GCADHN C[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573654657 947968706 /nfs/dbraw/zinc/96/87/06/947968706.db2.gz SIRXLJABCFVOMI-BLLLJJGKSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573654657 947968712 /nfs/dbraw/zinc/96/87/12/947968712.db2.gz SIRXLJABCFVOMI-BLLLJJGKSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001573398205 947978068 /nfs/dbraw/zinc/97/80/68/947978068.db2.gz ININDSUZFWEDAC-INIZCTEOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001573398205 947978074 /nfs/dbraw/zinc/97/80/74/947978074.db2.gz ININDSUZFWEDAC-INIZCTEOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573398695 947985698 /nfs/dbraw/zinc/98/56/98/947985698.db2.gz OSHMLGUJLWZNKI-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573399345 947991904 /nfs/dbraw/zinc/99/19/04/947991904.db2.gz VNCBGMLDIIYCNS-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573399345 947991912 /nfs/dbraw/zinc/99/19/12/947991912.db2.gz VNCBGMLDIIYCNS-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573403000 948006899 /nfs/dbraw/zinc/00/68/99/948006899.db2.gz JYODKNIQSGECBY-NVXWUHKLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573403000 948006906 /nfs/dbraw/zinc/00/69/06/948006906.db2.gz JYODKNIQSGECBY-NVXWUHKLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573404430 948024475 /nfs/dbraw/zinc/02/44/75/948024475.db2.gz DUJZODCPEFIZLR-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573404430 948024481 /nfs/dbraw/zinc/02/44/81/948024481.db2.gz DUJZODCPEFIZLR-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573404599 948028544 /nfs/dbraw/zinc/02/85/44/948028544.db2.gz GQIILAUJEPHQBG-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573404599 948028550 /nfs/dbraw/zinc/02/85/50/948028550.db2.gz GQIILAUJEPHQBG-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573404581 948028984 /nfs/dbraw/zinc/02/89/84/948028984.db2.gz VGZZUSHMCSYYSL-INIZCTEOSA-N 0 3 391.451 0.715 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001573404581 948028987 /nfs/dbraw/zinc/02/89/87/948028987.db2.gz VGZZUSHMCSYYSL-INIZCTEOSA-N 0 3 391.451 0.715 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573662837 948029150 /nfs/dbraw/zinc/02/91/50/948029150.db2.gz HHMWYQTWLUCRRQ-YGONEPDPSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573662837 948029162 /nfs/dbraw/zinc/02/91/62/948029162.db2.gz HHMWYQTWLUCRRQ-YGONEPDPSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573404648 948031506 /nfs/dbraw/zinc/03/15/06/948031506.db2.gz IGELARQVBKRYKL-LLVKDONJSA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573405331 948041232 /nfs/dbraw/zinc/04/12/32/948041232.db2.gz PGZPGVMMTNCNBP-CQSZACIVSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573405331 948041240 /nfs/dbraw/zinc/04/12/40/948041240.db2.gz PGZPGVMMTNCNBP-CQSZACIVSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573405447 948042127 /nfs/dbraw/zinc/04/21/27/948042127.db2.gz QQCNETRQSMALCN-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573405447 948042138 /nfs/dbraw/zinc/04/21/38/948042138.db2.gz QQCNETRQSMALCN-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573405447 948042150 /nfs/dbraw/zinc/04/21/50/948042150.db2.gz QQCNETRQSMALCN-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573405447 948042158 /nfs/dbraw/zinc/04/21/58/948042158.db2.gz QQCNETRQSMALCN-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573405557 948044123 /nfs/dbraw/zinc/04/41/23/948044123.db2.gz TVVLTXYNHUJWAO-LLVKDONJSA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573405557 948044131 /nfs/dbraw/zinc/04/41/31/948044131.db2.gz TVVLTXYNHUJWAO-LLVKDONJSA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001573405678 948047618 /nfs/dbraw/zinc/04/76/18/948047618.db2.gz UMBHWGGBRFYPRX-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001573405678 948047623 /nfs/dbraw/zinc/04/76/23/948047623.db2.gz UMBHWGGBRFYPRX-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN Cc1onc(CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347277 948050043 /nfs/dbraw/zinc/05/00/43/948050043.db2.gz LPPYTKZODXKOKH-IBGZPJMESA-N 0 3 397.439 0.459 20 0 GCADHN Cc1onc(CC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347277 948050051 /nfs/dbraw/zinc/05/00/51/948050051.db2.gz LPPYTKZODXKOKH-IBGZPJMESA-N 0 3 397.439 0.459 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573664346 948052400 /nfs/dbraw/zinc/05/24/00/948052400.db2.gz UAOWXCPTGKXLSP-XEBKBJJBSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573664346 948052411 /nfs/dbraw/zinc/05/24/11/948052411.db2.gz UAOWXCPTGKXLSP-XEBKBJJBSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573406593 948056695 /nfs/dbraw/zinc/05/66/95/948056695.db2.gz MUDWFRTYQQEDBJ-OKILXGFUSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573406593 948056700 /nfs/dbraw/zinc/05/67/00/948056700.db2.gz MUDWFRTYQQEDBJ-OKILXGFUSA-N 0 3 375.408 0.221 20 0 GCADHN Cc1onc(CC(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826347675 948058251 /nfs/dbraw/zinc/05/82/51/948058251.db2.gz ZNHAVGWUYXBXJJ-VXGBXAGGSA-N 0 3 377.449 0.711 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573406775 948058463 /nfs/dbraw/zinc/05/84/63/948058463.db2.gz RZHXYPOVRZDHQX-DOTOQJQBSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573406775 948058471 /nfs/dbraw/zinc/05/84/71/948058471.db2.gz RZHXYPOVRZDHQX-DOTOQJQBSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001573406761 948058577 /nfs/dbraw/zinc/05/85/77/948058577.db2.gz RJEHJWJMRIYCGF-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001573406761 948058584 /nfs/dbraw/zinc/05/85/84/948058584.db2.gz RJEHJWJMRIYCGF-QGZVFWFLSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)[C@@H]2C)C1 ZINC001573413331 948079409 /nfs/dbraw/zinc/07/94/09/948079409.db2.gz BUSJQQVYTWZDGI-SJCJKPOMSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)[C@@H]2C)C1 ZINC001573413331 948079416 /nfs/dbraw/zinc/07/94/16/948079416.db2.gz BUSJQQVYTWZDGI-SJCJKPOMSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573414517 948096254 /nfs/dbraw/zinc/09/62/54/948096254.db2.gz NOHLBTFZRHRURN-CQSZACIVSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573414517 948096264 /nfs/dbraw/zinc/09/62/64/948096264.db2.gz NOHLBTFZRHRURN-CQSZACIVSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573414644 948097080 /nfs/dbraw/zinc/09/70/80/948097080.db2.gz MBBQPXFRZHTLIU-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573414629 948097886 /nfs/dbraw/zinc/09/78/86/948097886.db2.gz LQKPIDWLYVHNQG-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573414629 948097892 /nfs/dbraw/zinc/09/78/92/948097892.db2.gz LQKPIDWLYVHNQG-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001573415414 948108802 /nfs/dbraw/zinc/10/88/02/948108802.db2.gz ZVSGONLWQXYMAP-UHFFFAOYSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001573415414 948108807 /nfs/dbraw/zinc/10/88/07/948108807.db2.gz ZVSGONLWQXYMAP-UHFFFAOYSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573418169 948116480 /nfs/dbraw/zinc/11/64/80/948116480.db2.gz DUYKXUWPOPJTBB-UHFFFAOYSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573418169 948116483 /nfs/dbraw/zinc/11/64/83/948116483.db2.gz DUYKXUWPOPJTBB-UHFFFAOYSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573419005 948119230 /nfs/dbraw/zinc/11/92/30/948119230.db2.gz IVXMNAOCWZNEPP-OLZOCXBDSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573419005 948119232 /nfs/dbraw/zinc/11/92/32/948119232.db2.gz IVXMNAOCWZNEPP-OLZOCXBDSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573419090 948121775 /nfs/dbraw/zinc/12/17/75/948121775.db2.gz JQFHFXDSWFJZCY-MNOVXSKESA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573419090 948121778 /nfs/dbraw/zinc/12/17/78/948121778.db2.gz JQFHFXDSWFJZCY-MNOVXSKESA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001573419622 948124787 /nfs/dbraw/zinc/12/47/87/948124787.db2.gz NQLOGLXUUPSSCN-QGZVFWFLSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001573419622 948124791 /nfs/dbraw/zinc/12/47/91/948124791.db2.gz NQLOGLXUUPSSCN-QGZVFWFLSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573419892 948131170 /nfs/dbraw/zinc/13/11/70/948131170.db2.gz UYETZYFEJBZFFL-IBGZPJMESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573419892 948131174 /nfs/dbraw/zinc/13/11/74/948131174.db2.gz UYETZYFEJBZFFL-IBGZPJMESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001573421030 948136861 /nfs/dbraw/zinc/13/68/61/948136861.db2.gz BMBLAJXFQNQXTE-KRWDZBQOSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)C1 ZINC001573421030 948136862 /nfs/dbraw/zinc/13/68/62/948136862.db2.gz BMBLAJXFQNQXTE-KRWDZBQOSA-N 0 3 383.456 0.329 20 0 GCADHN Cn1ccnc1N1CCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826364563 948141205 /nfs/dbraw/zinc/14/12/05/948141205.db2.gz AQDFWJIHHGOHIQ-UHFFFAOYSA-N 0 3 381.444 0.751 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)C)C1 ZINC001573422260 948141777 /nfs/dbraw/zinc/14/17/77/948141777.db2.gz JIDOSSJNWUQWFT-QGZVFWFLSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)C)C1 ZINC001573422260 948141784 /nfs/dbraw/zinc/14/17/84/948141784.db2.gz JIDOSSJNWUQWFT-QGZVFWFLSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573424367 948149799 /nfs/dbraw/zinc/14/97/99/948149799.db2.gz YWYUPEQYVSELEK-AKAXFMLLSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573424367 948149803 /nfs/dbraw/zinc/14/98/03/948149803.db2.gz YWYUPEQYVSELEK-AKAXFMLLSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573679192 948159296 /nfs/dbraw/zinc/15/92/96/948159296.db2.gz JUCPYEWCYMDOLO-KGLIPLIRSA-N 0 3 387.492 0.862 20 0 GCADHN C[C@H](C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573679851 948167331 /nfs/dbraw/zinc/16/73/31/948167331.db2.gz KCZXTYBEZZRISO-ZIAGYGMSSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573680208 948174600 /nfs/dbraw/zinc/17/46/00/948174600.db2.gz MSFQBRBMRWHLEL-ABAIWWIYSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573680208 948174610 /nfs/dbraw/zinc/17/46/10/948174610.db2.gz MSFQBRBMRWHLEL-ABAIWWIYSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)n1cncn1 ZINC001573680826 948188091 /nfs/dbraw/zinc/18/80/91/948188091.db2.gz QKTZOFKMTBVBFJ-BLLLJJGKSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)n1cncn1 ZINC001573680826 948188095 /nfs/dbraw/zinc/18/80/95/948188095.db2.gz QKTZOFKMTBVBFJ-BLLLJJGKSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573433218 948198059 /nfs/dbraw/zinc/19/80/59/948198059.db2.gz JTOYVOGGWSHEAQ-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573433218 948198065 /nfs/dbraw/zinc/19/80/65/948198065.db2.gz JTOYVOGGWSHEAQ-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573435335 948228067 /nfs/dbraw/zinc/22/80/67/948228067.db2.gz VRWUHKLVQYLUNW-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573435335 948228072 /nfs/dbraw/zinc/22/80/72/948228072.db2.gz VRWUHKLVQYLUNW-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573435455 948230242 /nfs/dbraw/zinc/23/02/42/948230242.db2.gz WYQWNAUCIQJQSU-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573435455 948230250 /nfs/dbraw/zinc/23/02/50/948230250.db2.gz WYQWNAUCIQJQSU-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573692279 948261179 /nfs/dbraw/zinc/26/11/79/948261179.db2.gz NSRWVJLAVOQDFF-IUODEOHRSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573692279 948261187 /nfs/dbraw/zinc/26/11/87/948261187.db2.gz NSRWVJLAVOQDFF-IUODEOHRSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccco1 ZINC001573692460 948265302 /nfs/dbraw/zinc/26/53/02/948265302.db2.gz PABAEUYZTVKHQV-WCQYABFASA-N 0 3 388.403 0.969 20 0 GCADHN C[C@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCC1)S(C)(=O)=O ZINC001573692698 948271146 /nfs/dbraw/zinc/27/11/46/948271146.db2.gz RXJQJSWRATTXQT-GFCCVEGCSA-N 0 3 392.485 0.428 20 0 GCADHN C[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCC1)S(C)(=O)=O ZINC001573692699 948272583 /nfs/dbraw/zinc/27/25/83/948272583.db2.gz RXJQJSWRATTXQT-LBPRGKRZSA-N 0 3 392.485 0.428 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573441776 948276608 /nfs/dbraw/zinc/27/66/08/948276608.db2.gz BDBWRZYRQQVSIC-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573441776 948276617 /nfs/dbraw/zinc/27/66/17/948276617.db2.gz BDBWRZYRQQVSIC-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573693770 948287209 /nfs/dbraw/zinc/28/72/09/948287209.db2.gz SZUODAKIWAEYOU-UONOGXRCSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(F)(F)F ZINC001573693918 948291459 /nfs/dbraw/zinc/29/14/59/948291459.db2.gz VFXXYDOIPMPIQR-LDYMZIIASA-N 0 3 390.341 0.771 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(F)(F)F ZINC001573693918 948291467 /nfs/dbraw/zinc/29/14/67/948291467.db2.gz VFXXYDOIPMPIQR-LDYMZIIASA-N 0 3 390.341 0.771 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)n1cccn1 ZINC001573694480 948296428 /nfs/dbraw/zinc/29/64/28/948296428.db2.gz WBHACJVVHKLCBE-FZMZJTMJSA-N 0 3 388.407 0.030 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)n1cccc1 ZINC001573694466 948296653 /nfs/dbraw/zinc/29/66/53/948296653.db2.gz VUWZYCLRBNMBJR-WFASDCNBSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)n1cccc1 ZINC001573694466 948296662 /nfs/dbraw/zinc/29/66/62/948296662.db2.gz VUWZYCLRBNMBJR-WFASDCNBSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573695666 948309681 /nfs/dbraw/zinc/30/96/81/948309681.db2.gz HYNZBKVFRURTTL-LKSINWNRSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573695666 948309688 /nfs/dbraw/zinc/30/96/88/948309688.db2.gz HYNZBKVFRURTTL-LKSINWNRSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573444082 948310703 /nfs/dbraw/zinc/31/07/03/948310703.db2.gz QWYUDAZXYFSMIS-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573444082 948310707 /nfs/dbraw/zinc/31/07/07/948310707.db2.gz QWYUDAZXYFSMIS-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NCC[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573444084 948310873 /nfs/dbraw/zinc/31/08/73/948310873.db2.gz QWYUDAZXYFSMIS-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NCC[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573444084 948310878 /nfs/dbraw/zinc/31/08/78/948310878.db2.gz QWYUDAZXYFSMIS-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573444421 948314938 /nfs/dbraw/zinc/31/49/38/948314938.db2.gz UMHCJZFZLFIKAK-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573444421 948314945 /nfs/dbraw/zinc/31/49/45/948314945.db2.gz UMHCJZFZLFIKAK-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573446655 948333069 /nfs/dbraw/zinc/33/30/69/948333069.db2.gz LLWCDGMJCGFTPD-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573446665 948333880 /nfs/dbraw/zinc/33/38/80/948333880.db2.gz LRQJQLYIIVAKQQ-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573446665 948333887 /nfs/dbraw/zinc/33/38/87/948333887.db2.gz LRQJQLYIIVAKQQ-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573706898 948426251 /nfs/dbraw/zinc/42/62/51/948426251.db2.gz MNDXSSHQPJDURK-DZGCQCFKSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573706898 948426263 /nfs/dbraw/zinc/42/62/63/948426263.db2.gz MNDXSSHQPJDURK-DZGCQCFKSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573706898 948426272 /nfs/dbraw/zinc/42/62/72/948426272.db2.gz MNDXSSHQPJDURK-DZGCQCFKSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573706898 948426280 /nfs/dbraw/zinc/42/62/80/948426280.db2.gz MNDXSSHQPJDURK-DZGCQCFKSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573706906 948426869 /nfs/dbraw/zinc/42/68/69/948426869.db2.gz MNDXSSHQPJDURK-UKRRQHHQSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573706906 948426875 /nfs/dbraw/zinc/42/68/75/948426875.db2.gz MNDXSSHQPJDURK-UKRRQHHQSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573706906 948426881 /nfs/dbraw/zinc/42/68/81/948426881.db2.gz MNDXSSHQPJDURK-UKRRQHHQSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573706906 948426887 /nfs/dbraw/zinc/42/68/87/948426887.db2.gz MNDXSSHQPJDURK-UKRRQHHQSA-N 0 3 381.444 0.658 20 0 GCADHN c1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(NCc2nnnn2C2CC2)CC1 ZINC000826513963 948438788 /nfs/dbraw/zinc/43/87/88/948438788.db2.gz CFPWPVOFPBYVCN-UHFFFAOYSA-N 0 3 380.460 0.942 20 0 GCADHN c1cc(-c2nn[nH]n2)ccc1CN1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000826514370 948440666 /nfs/dbraw/zinc/44/06/66/948440666.db2.gz PPQQJCRVEAHFAW-KDURUIRLSA-N 0 3 383.500 0.848 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573716172 948496667 /nfs/dbraw/zinc/49/66/67/948496667.db2.gz CKKULNTXGQEYDB-RYUDHWBXSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573716172 948496672 /nfs/dbraw/zinc/49/66/72/948496672.db2.gz CKKULNTXGQEYDB-RYUDHWBXSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)n1cncn1 ZINC001573716860 948500831 /nfs/dbraw/zinc/50/08/31/948500831.db2.gz INTWMQLUWMDSCJ-NWDGAFQWSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573740724 948641701 /nfs/dbraw/zinc/64/17/01/948641701.db2.gz SGYPYGVLKBZJPR-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573749315 948699575 /nfs/dbraw/zinc/69/95/75/948699575.db2.gz YDKOTEYZZSLCTN-HONMWMINSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573749315 948699579 /nfs/dbraw/zinc/69/95/79/948699579.db2.gz YDKOTEYZZSLCTN-HONMWMINSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001573751779 948704525 /nfs/dbraw/zinc/70/45/25/948704525.db2.gz CPIINYKKNWPXOM-VZEFYGNVSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001573751779 948704534 /nfs/dbraw/zinc/70/45/34/948704534.db2.gz CPIINYKKNWPXOM-VZEFYGNVSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001573751779 948704541 /nfs/dbraw/zinc/70/45/41/948704541.db2.gz CPIINYKKNWPXOM-VZEFYGNVSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001573751779 948704545 /nfs/dbraw/zinc/70/45/45/948704545.db2.gz CPIINYKKNWPXOM-VZEFYGNVSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCCC1 ZINC001573752298 948712336 /nfs/dbraw/zinc/71/23/36/948712336.db2.gz MPRZMSFBTDCXSS-IHRRRGAJSA-N 0 3 385.476 0.980 20 0 GCADHN C[C@@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574918155 948838482 /nfs/dbraw/zinc/83/84/82/948838482.db2.gz GLAJDEIZWMYOHN-LBPRGKRZSA-N 0 3 387.423 0.672 20 0 GCADHN CC(C)(C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCC1 ZINC001573765221 948902739 /nfs/dbraw/zinc/90/27/39/948902739.db2.gz WYCKGYBKBCQJQH-ZDUSSCGKSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574922984 948928062 /nfs/dbraw/zinc/92/80/62/948928062.db2.gz AQPRUYYXBNNEBF-ZDUSSCGKSA-N 0 3 382.428 0.108 20 0 GCADHN C[C@@H](CNC(=O)CCn1cncn1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574923544 948951230 /nfs/dbraw/zinc/95/12/30/948951230.db2.gz PJMZUTHCSDBZJP-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](CNC(=O)CCn1cncn1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574923544 948951238 /nfs/dbraw/zinc/95/12/38/948951238.db2.gz PJMZUTHCSDBZJP-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN CC(C)(C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573772575 948961309 /nfs/dbraw/zinc/96/13/09/948961309.db2.gz VJVQROCJWCHIJQ-UHFFFAOYSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574925493 948973485 /nfs/dbraw/zinc/97/34/85/948973485.db2.gz AMXYBQHLHQTLJM-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574925493 948973492 /nfs/dbraw/zinc/97/34/92/948973492.db2.gz AMXYBQHLHQTLJM-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574925493 948973498 /nfs/dbraw/zinc/97/34/98/948973498.db2.gz AMXYBQHLHQTLJM-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574925493 948973508 /nfs/dbraw/zinc/97/35/08/948973508.db2.gz AMXYBQHLHQTLJM-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574926387 948997652 /nfs/dbraw/zinc/99/76/52/948997652.db2.gz PBRZJEKOLULOQW-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574926387 948997662 /nfs/dbraw/zinc/99/76/62/948997662.db2.gz PBRZJEKOLULOQW-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574926387 948997673 /nfs/dbraw/zinc/99/76/73/948997673.db2.gz PBRZJEKOLULOQW-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574926387 948997684 /nfs/dbraw/zinc/99/76/84/948997684.db2.gz PBRZJEKOLULOQW-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574926503 949007018 /nfs/dbraw/zinc/00/70/18/949007018.db2.gz SQZOTRYKEKJJAL-LBPRGKRZSA-N 0 3 375.481 0.799 20 0 GCADHN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574926503 949007033 /nfs/dbraw/zinc/00/70/33/949007033.db2.gz SQZOTRYKEKJJAL-LBPRGKRZSA-N 0 3 375.481 0.799 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926618 949011627 /nfs/dbraw/zinc/01/16/27/949011627.db2.gz BAONRQCUIXTJPJ-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926618 949011659 /nfs/dbraw/zinc/01/16/59/949011659.db2.gz BAONRQCUIXTJPJ-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](F)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001575244226 949015316 /nfs/dbraw/zinc/01/53/16/949015316.db2.gz YKTYBSBLHLJWLP-HIFRSBDPSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@@H](F)CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001575244226 949015329 /nfs/dbraw/zinc/01/53/29/949015329.db2.gz YKTYBSBLHLJWLP-HIFRSBDPSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@@H](F)CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001575244226 949015348 /nfs/dbraw/zinc/01/53/48/949015348.db2.gz YKTYBSBLHLJWLP-HIFRSBDPSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@@H](F)CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001575244226 949015371 /nfs/dbraw/zinc/01/53/71/949015371.db2.gz YKTYBSBLHLJWLP-HIFRSBDPSA-N 0 3 390.467 0.775 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574926756 949020066 /nfs/dbraw/zinc/02/00/66/949020066.db2.gz WYKJQGRFMWEMIE-LLVKDONJSA-N 0 3 375.408 0.223 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574926756 949020046 /nfs/dbraw/zinc/02/00/46/949020046.db2.gz WYKJQGRFMWEMIE-LLVKDONJSA-N 0 3 375.408 0.223 20 0 GCADHN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(F)F ZINC001573775293 949041968 /nfs/dbraw/zinc/04/19/68/949041968.db2.gz VWNNXASHRLYDKM-NSHDSACASA-N 0 3 386.378 0.864 20 0 GCADHN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(F)F ZINC001573775293 949041991 /nfs/dbraw/zinc/04/19/91/949041991.db2.gz VWNNXASHRLYDKM-NSHDSACASA-N 0 3 386.378 0.864 20 0 GCADHN C[C@@H](F)CC[NH2+]C1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575247675 949051282 /nfs/dbraw/zinc/05/12/82/949051282.db2.gz KTQGUQXUZIPTCE-GFCCVEGCSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@@H](F)CC[NH2+]C1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575247675 949051301 /nfs/dbraw/zinc/05/13/01/949051301.db2.gz KTQGUQXUZIPTCE-GFCCVEGCSA-N 0 3 378.456 0.727 20 0 GCADHN C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574694616 949085411 /nfs/dbraw/zinc/08/54/11/949085411.db2.gz SRJKGJAXNMVYBT-GFCCVEGCSA-N 0 3 388.476 0.646 20 0 GCADHN CC(C)[C@H](C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574694683 949085694 /nfs/dbraw/zinc/08/56/94/949085694.db2.gz ULMXKTGELNKYTL-SMDDNHRTSA-N 0 3 376.465 0.358 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574931999 949125626 /nfs/dbraw/zinc/12/56/26/949125626.db2.gz SSWXZNJAMTVJNT-GXTWGEPZSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574931999 949125643 /nfs/dbraw/zinc/12/56/43/949125643.db2.gz SSWXZNJAMTVJNT-GXTWGEPZSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574697783 949159299 /nfs/dbraw/zinc/15/92/99/949159299.db2.gz BWRBPQPIJPAENR-WDEREUQCSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574697783 949159311 /nfs/dbraw/zinc/15/93/11/949159311.db2.gz BWRBPQPIJPAENR-WDEREUQCSA-N 0 3 377.424 0.454 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574447596 949165560 /nfs/dbraw/zinc/16/55/60/949165560.db2.gz UGXFEOJCGZZBPH-CYBMUJFWSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574447596 949165570 /nfs/dbraw/zinc/16/55/70/949165570.db2.gz UGXFEOJCGZZBPH-CYBMUJFWSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573787836 949186162 /nfs/dbraw/zinc/18/61/62/949186162.db2.gz BOEQMWSZOIRGCQ-LBPRGKRZSA-N 0 3 389.435 0.598 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573787887 949186585 /nfs/dbraw/zinc/18/65/85/949186585.db2.gz CXNYXFXNVBMOST-CABCVRRESA-N 0 3 385.472 0.753 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573787887 949186598 /nfs/dbraw/zinc/18/65/98/949186598.db2.gz CXNYXFXNVBMOST-CABCVRRESA-N 0 3 385.472 0.753 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573787835 949188836 /nfs/dbraw/zinc/18/88/36/949188836.db2.gz BOEQMWSZOIRGCQ-GFCCVEGCSA-N 0 3 389.435 0.598 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573788594 949198729 /nfs/dbraw/zinc/19/87/29/949198729.db2.gz OKAPYROTKANWFL-CYBMUJFWSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573788594 949198747 /nfs/dbraw/zinc/19/87/47/949198747.db2.gz OKAPYROTKANWFL-CYBMUJFWSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573788594 949198759 /nfs/dbraw/zinc/19/87/59/949198759.db2.gz OKAPYROTKANWFL-CYBMUJFWSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573788594 949198771 /nfs/dbraw/zinc/19/87/71/949198771.db2.gz OKAPYROTKANWFL-CYBMUJFWSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573788601 949201746 /nfs/dbraw/zinc/20/17/46/949201746.db2.gz OQRXBMQHGGMIQW-CYBMUJFWSA-N 0 3 389.435 0.598 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573788601 949201760 /nfs/dbraw/zinc/20/17/60/949201760.db2.gz OQRXBMQHGGMIQW-CYBMUJFWSA-N 0 3 389.435 0.598 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574451188 949220088 /nfs/dbraw/zinc/22/00/88/949220088.db2.gz GMOPWBFPXAXQBG-AWEZNQCLSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574451188 949220112 /nfs/dbraw/zinc/22/01/12/949220112.db2.gz GMOPWBFPXAXQBG-AWEZNQCLSA-N 0 3 385.428 0.859 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574702372 949277461 /nfs/dbraw/zinc/27/74/61/949277461.db2.gz HXBYMFMGLRVWTC-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574702372 949277481 /nfs/dbraw/zinc/27/74/81/949277481.db2.gz HXBYMFMGLRVWTC-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)(C)C(=O)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573793077 949283006 /nfs/dbraw/zinc/28/30/06/949283006.db2.gz KGUUELNDOMBWDE-LLVKDONJSA-N 0 3 378.408 0.188 20 0 GCADHN CC(C)(C)C(=O)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573793077 949283028 /nfs/dbraw/zinc/28/30/28/949283028.db2.gz KGUUELNDOMBWDE-LLVKDONJSA-N 0 3 378.408 0.188 20 0 GCADHN CC(C)n1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC001574457279 949322676 /nfs/dbraw/zinc/32/26/76/949322676.db2.gz FPZORXCDKRCIQT-OAHLLOKOSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC001574457279 949322697 /nfs/dbraw/zinc/32/26/97/949322697.db2.gz FPZORXCDKRCIQT-OAHLLOKOSA-N 0 3 384.444 0.525 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574703568 949335654 /nfs/dbraw/zinc/33/56/54/949335654.db2.gz WKCIIEHRGRROTI-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574703568 949335672 /nfs/dbraw/zinc/33/56/72/949335672.db2.gz WKCIIEHRGRROTI-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)n1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)c1 ZINC001574463938 949392432 /nfs/dbraw/zinc/39/24/32/949392432.db2.gz CDFLHCRQKSONRK-AWEZNQCLSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)c1 ZINC001574463938 949392455 /nfs/dbraw/zinc/39/24/55/949392455.db2.gz CDFLHCRQKSONRK-AWEZNQCLSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573801599 949403149 /nfs/dbraw/zinc/40/31/49/949403149.db2.gz AYMVDAFDSQIDGD-OKILXGFUSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573801599 949403157 /nfs/dbraw/zinc/40/31/57/949403157.db2.gz AYMVDAFDSQIDGD-OKILXGFUSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263781 949408832 /nfs/dbraw/zinc/40/88/32/949408832.db2.gz JMBPOAWBHXQXSR-GXTWGEPZSA-N 0 3 387.463 0.894 20 0 GCADHN C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263781 949408841 /nfs/dbraw/zinc/40/88/41/949408841.db2.gz JMBPOAWBHXQXSR-GXTWGEPZSA-N 0 3 387.463 0.894 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574705133 949416973 /nfs/dbraw/zinc/41/69/73/949416973.db2.gz RNRLJNJAZAJVGJ-BXUZGUMPSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574705246 949417166 /nfs/dbraw/zinc/41/71/66/949417166.db2.gz GPTHALVQSZEWIT-IUODEOHRSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574705432 949424348 /nfs/dbraw/zinc/42/43/48/949424348.db2.gz SVIIVBQLLRWRAB-DGCLKSJQSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H]1CCCC[C@@]1(CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C(N)=O ZINC001576156005 949428131 /nfs/dbraw/zinc/42/81/31/949428131.db2.gz LCGXNSWSFMBCPW-VOJFVSQTSA-N 0 3 389.435 0.646 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573804657 949476921 /nfs/dbraw/zinc/47/69/21/949476921.db2.gz YUUOHBQERMVGMI-UHFFFAOYSA-N 0 3 377.424 0.374 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573804657 949476932 /nfs/dbraw/zinc/47/69/32/949476932.db2.gz YUUOHBQERMVGMI-UHFFFAOYSA-N 0 3 377.424 0.374 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574708076 949484394 /nfs/dbraw/zinc/48/43/94/949484394.db2.gz SPRDAURQXLBRAS-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574708076 949484413 /nfs/dbraw/zinc/48/44/13/949484413.db2.gz SPRDAURQXLBRAS-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574708260 949487751 /nfs/dbraw/zinc/48/77/51/949487751.db2.gz UVKHDPTVNDERGH-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574708260 949487760 /nfs/dbraw/zinc/48/77/60/949487760.db2.gz UVKHDPTVNDERGH-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN CC(C)c1nnnn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574949682 949504383 /nfs/dbraw/zinc/50/43/83/949504383.db2.gz APBUZSHNRPVFDG-GFCCVEGCSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)c1nnnn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574949682 949504409 /nfs/dbraw/zinc/50/44/09/949504409.db2.gz APBUZSHNRPVFDG-GFCCVEGCSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)n1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574470743 949513397 /nfs/dbraw/zinc/51/33/97/949513397.db2.gz TWSNPCUVHZUIQT-OAHLLOKOSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574470743 949513415 /nfs/dbraw/zinc/51/34/15/949513415.db2.gz TWSNPCUVHZUIQT-OAHLLOKOSA-N 0 3 384.444 0.525 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575268315 949517347 /nfs/dbraw/zinc/51/73/47/949517347.db2.gz NDPCNGWYZVCSKB-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575268315 949517362 /nfs/dbraw/zinc/51/73/62/949517362.db2.gz NDPCNGWYZVCSKB-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575268315 949517375 /nfs/dbraw/zinc/51/73/75/949517375.db2.gz NDPCNGWYZVCSKB-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575268315 949517388 /nfs/dbraw/zinc/51/73/88/949517388.db2.gz NDPCNGWYZVCSKB-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574710919 949518650 /nfs/dbraw/zinc/51/86/50/949518650.db2.gz CAWMGOAIQCDTGF-KBPBESRZSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574710919 949518659 /nfs/dbraw/zinc/51/86/59/949518659.db2.gz CAWMGOAIQCDTGF-KBPBESRZSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574711453 949535640 /nfs/dbraw/zinc/53/56/40/949535640.db2.gz HJSPZZXJTAEHBO-DGCLKSJQSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574711453 949535657 /nfs/dbraw/zinc/53/56/57/949535657.db2.gz HJSPZZXJTAEHBO-DGCLKSJQSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574471471 949535665 /nfs/dbraw/zinc/53/56/65/949535665.db2.gz MZUZFQKRQDVZOB-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574471471 949535686 /nfs/dbraw/zinc/53/56/86/949535686.db2.gz MZUZFQKRQDVZOB-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN CC(C)c1nnnn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574950763 949543047 /nfs/dbraw/zinc/54/30/47/949543047.db2.gz UCAPSLODDNFODY-GFCCVEGCSA-N 0 3 384.448 0.271 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574472224 949547447 /nfs/dbraw/zinc/54/74/47/949547447.db2.gz SENSHNUUMZPSRO-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574472224 949547470 /nfs/dbraw/zinc/54/74/70/949547470.db2.gz SENSHNUUMZPSRO-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574472221 949549300 /nfs/dbraw/zinc/54/93/00/949549300.db2.gz SENSHNUUMZPSRO-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574472221 949549320 /nfs/dbraw/zinc/54/93/20/949549320.db2.gz SENSHNUUMZPSRO-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872591 949553114 /nfs/dbraw/zinc/55/31/14/949553114.db2.gz KBVKIYUOLSWOPW-RISCZKNCSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872591 949553135 /nfs/dbraw/zinc/55/31/35/949553135.db2.gz KBVKIYUOLSWOPW-RISCZKNCSA-N 0 3 386.460 0.256 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574951342 949557251 /nfs/dbraw/zinc/55/72/51/949557251.db2.gz ZJQKKTAODCFXTD-BBRMVZONSA-N 0 3 385.472 0.860 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574951342 949557264 /nfs/dbraw/zinc/55/72/64/949557264.db2.gz ZJQKKTAODCFXTD-BBRMVZONSA-N 0 3 385.472 0.860 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575269545 949557920 /nfs/dbraw/zinc/55/79/20/949557920.db2.gz VQFJOXWYCSKYHQ-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575269545 949557935 /nfs/dbraw/zinc/55/79/35/949557935.db2.gz VQFJOXWYCSKYHQ-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575269545 949557944 /nfs/dbraw/zinc/55/79/44/949557944.db2.gz VQFJOXWYCSKYHQ-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575269545 949557958 /nfs/dbraw/zinc/55/79/58/949557958.db2.gz VQFJOXWYCSKYHQ-VXGBXAGGSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001575269708 949560663 /nfs/dbraw/zinc/56/06/63/949560663.db2.gz WNHFGHZEVKQDRT-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001575269708 949560680 /nfs/dbraw/zinc/56/06/80/949560680.db2.gz WNHFGHZEVKQDRT-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574711975 949564940 /nfs/dbraw/zinc/56/49/40/949564940.db2.gz OVSMMFHUJRTDOL-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574124098 949565190 /nfs/dbraw/zinc/56/51/90/949565190.db2.gz BMNHLFSIFASIOH-CJNGLKHVSA-N 0 3 387.488 0.951 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574124098 949565206 /nfs/dbraw/zinc/56/52/06/949565206.db2.gz BMNHLFSIFASIOH-CJNGLKHVSA-N 0 3 387.488 0.951 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001574124396 949571990 /nfs/dbraw/zinc/57/19/90/949571990.db2.gz GPJZOMKMTFEQHP-BXUZGUMPSA-N 0 3 391.451 0.748 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1cncn1 ZINC001573811034 949586572 /nfs/dbraw/zinc/58/65/72/949586572.db2.gz GZTDLQRCZOGYHO-HNNXBMFYSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1cncn1 ZINC001573811034 949586593 /nfs/dbraw/zinc/58/65/93/949586593.db2.gz GZTDLQRCZOGYHO-HNNXBMFYSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574125863 949595139 /nfs/dbraw/zinc/59/51/39/949595139.db2.gz USYNNCBZIDEZMV-CZUORRHYSA-N 0 3 387.488 0.951 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873979 949595657 /nfs/dbraw/zinc/59/56/57/949595657.db2.gz DCXYWMQIMFJOSU-TZMCWYRMSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575873979 949595674 /nfs/dbraw/zinc/59/56/74/949595674.db2.gz DCXYWMQIMFJOSU-TZMCWYRMSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575270536 949596937 /nfs/dbraw/zinc/59/69/37/949596937.db2.gz DOOUAQFWKCYRKU-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270536 949596957 /nfs/dbraw/zinc/59/69/57/949596957.db2.gz DOOUAQFWKCYRKU-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575271069 949611484 /nfs/dbraw/zinc/61/14/84/949611484.db2.gz HVCRDHAZFBVXOQ-IUODEOHRSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575271069 949611493 /nfs/dbraw/zinc/61/14/93/949611493.db2.gz HVCRDHAZFBVXOQ-IUODEOHRSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576168438 949634926 /nfs/dbraw/zinc/63/49/26/949634926.db2.gz ULYUOAJISXNYLZ-MRVWCRGKSA-N 0 3 386.460 0.446 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574714833 949636329 /nfs/dbraw/zinc/63/63/29/949636329.db2.gz GSKHFSJDUFYWEC-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574714833 949636342 /nfs/dbraw/zinc/63/63/42/949636342.db2.gz GSKHFSJDUFYWEC-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576168539 949644283 /nfs/dbraw/zinc/64/42/83/949644283.db2.gz BUMJYRGYEPPTFY-DOMZBBRYSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576168544 949645419 /nfs/dbraw/zinc/64/54/19/949645419.db2.gz BUMJYRGYEPPTFY-SWLSCSKDSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575272965 949654354 /nfs/dbraw/zinc/65/43/54/949654354.db2.gz SUZGBCQCSXHCCO-LBPRGKRZSA-N 0 3 375.452 0.894 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876879 949659035 /nfs/dbraw/zinc/65/90/35/949659035.db2.gz YWBSWAFQLLNOLW-YPMHNXCESA-N 0 3 384.444 0.010 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574715757 949663658 /nfs/dbraw/zinc/66/36/58/949663658.db2.gz GFKAXRSRLWFXDG-NWDGAFQWSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574715757 949663673 /nfs/dbraw/zinc/66/36/73/949663673.db2.gz GFKAXRSRLWFXDG-NWDGAFQWSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716118 949680473 /nfs/dbraw/zinc/68/04/73/949680473.db2.gz MPGRGLQKPOEITE-WCQYABFASA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716118 949680487 /nfs/dbraw/zinc/68/04/87/949680487.db2.gz MPGRGLQKPOEITE-WCQYABFASA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716117 949680678 /nfs/dbraw/zinc/68/06/78/949680678.db2.gz MPGRGLQKPOEITE-DGCLKSJQSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716117 949680689 /nfs/dbraw/zinc/68/06/89/949680689.db2.gz MPGRGLQKPOEITE-DGCLKSJQSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716283 949682666 /nfs/dbraw/zinc/68/26/66/949682666.db2.gz IHEHVBOUKGAUIA-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716283 949682674 /nfs/dbraw/zinc/68/26/74/949682674.db2.gz IHEHVBOUKGAUIA-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716283 949682689 /nfs/dbraw/zinc/68/26/89/949682689.db2.gz IHEHVBOUKGAUIA-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716283 949682702 /nfs/dbraw/zinc/68/27/02/949682702.db2.gz IHEHVBOUKGAUIA-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574959357 949707112 /nfs/dbraw/zinc/70/71/12/949707112.db2.gz QIFWZPQMIXIRPX-APHBMKBZSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574959357 949707130 /nfs/dbraw/zinc/70/71/30/949707130.db2.gz QIFWZPQMIXIRPX-APHBMKBZSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575880908 949710452 /nfs/dbraw/zinc/71/04/52/949710452.db2.gz VSISYDGIOXGWGR-OCCSQVGLSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575880908 949710469 /nfs/dbraw/zinc/71/04/69/949710469.db2.gz VSISYDGIOXGWGR-OCCSQVGLSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574478787 949719922 /nfs/dbraw/zinc/71/99/22/949719922.db2.gz AQXHPDFZMWTFPA-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574478787 949719943 /nfs/dbraw/zinc/71/99/43/949719943.db2.gz AQXHPDFZMWTFPA-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CN(C)C(=O)CCCC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574717010 949722586 /nfs/dbraw/zinc/72/25/86/949722586.db2.gz NQUSKECTHOKYDU-NSHDSACASA-N 0 3 377.424 0.598 20 0 GCADHN C[C@@H](CN(C)C(=O)CCCC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574717010 949722599 /nfs/dbraw/zinc/72/25/99/949722599.db2.gz NQUSKECTHOKYDU-NSHDSACASA-N 0 3 377.424 0.598 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574960369 949725939 /nfs/dbraw/zinc/72/59/39/949725939.db2.gz WPTJLQHLBHHYDK-DAXOMENPSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001576170666 949727694 /nfs/dbraw/zinc/72/76/94/949727694.db2.gz MSMFCCAZPJJWIU-QWHCGFSZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574962440 949734768 /nfs/dbraw/zinc/73/47/68/949734768.db2.gz AOIIJSFYZHRDAC-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574962440 949734780 /nfs/dbraw/zinc/73/47/80/949734780.db2.gz AOIIJSFYZHRDAC-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574718047 949756535 /nfs/dbraw/zinc/75/65/35/949756535.db2.gz YLAWEERDUJZQTI-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574718047 949756564 /nfs/dbraw/zinc/75/65/64/949756564.db2.gz YLAWEERDUJZQTI-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574963959 949758031 /nfs/dbraw/zinc/75/80/31/949758031.db2.gz NNQVFALTWQMAGF-IINYFYTJSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574963959 949758050 /nfs/dbraw/zinc/75/80/50/949758050.db2.gz NNQVFALTWQMAGF-IINYFYTJSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H](CC(=O)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574480842 949758808 /nfs/dbraw/zinc/75/88/08/949758808.db2.gz KLQNONXVOSNENT-GFCCVEGCSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574480842 949758825 /nfs/dbraw/zinc/75/88/25/949758825.db2.gz KLQNONXVOSNENT-GFCCVEGCSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574963961 949759255 /nfs/dbraw/zinc/75/92/55/949759255.db2.gz NNQVFALTWQMAGF-QMTHXVAHSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574963961 949759280 /nfs/dbraw/zinc/75/92/80/949759280.db2.gz NNQVFALTWQMAGF-QMTHXVAHSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718216 949765643 /nfs/dbraw/zinc/76/56/43/949765643.db2.gz TXLQSZOVLKAOEE-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718216 949765654 /nfs/dbraw/zinc/76/56/54/949765654.db2.gz TXLQSZOVLKAOEE-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718216 949765662 /nfs/dbraw/zinc/76/56/62/949765662.db2.gz TXLQSZOVLKAOEE-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718216 949765672 /nfs/dbraw/zinc/76/56/72/949765672.db2.gz TXLQSZOVLKAOEE-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481151 949768706 /nfs/dbraw/zinc/76/87/06/949768706.db2.gz MUODLGHLHHRWLW-QWHCGFSZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481151 949768715 /nfs/dbraw/zinc/76/87/15/949768715.db2.gz MUODLGHLHHRWLW-QWHCGFSZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481161 949769866 /nfs/dbraw/zinc/76/98/66/949769866.db2.gz MXEFNSUCPQITDF-OCCSQVGLSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481161 949769882 /nfs/dbraw/zinc/76/98/82/949769882.db2.gz MXEFNSUCPQITDF-OCCSQVGLSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481161 949769898 /nfs/dbraw/zinc/76/98/98/949769898.db2.gz MXEFNSUCPQITDF-OCCSQVGLSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481161 949769913 /nfs/dbraw/zinc/76/99/13/949769913.db2.gz MXEFNSUCPQITDF-OCCSQVGLSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574718500 949786567 /nfs/dbraw/zinc/78/65/67/949786567.db2.gz YHFSAYMOVCYCLV-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575882732 949788708 /nfs/dbraw/zinc/78/87/08/949788708.db2.gz NORRYEZPTOBRPC-AAEUAGOBSA-N 0 3 384.444 0.010 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575280859 949791974 /nfs/dbraw/zinc/79/19/74/949791974.db2.gz ATZCBLNPAAATDB-XSRFYTQQSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575883054 949796348 /nfs/dbraw/zinc/79/63/48/949796348.db2.gz CFHVGRKQVVIUDU-FZMZJTMJSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575883054 949796363 /nfs/dbraw/zinc/79/63/63/949796363.db2.gz CFHVGRKQVVIUDU-FZMZJTMJSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575883055 949797809 /nfs/dbraw/zinc/79/78/09/949797809.db2.gz CFHVGRKQVVIUDU-RISCZKNCSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575883055 949797829 /nfs/dbraw/zinc/79/78/29/949797829.db2.gz CFHVGRKQVVIUDU-RISCZKNCSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](NC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C)C1CC1 ZINC001575281076 949798785 /nfs/dbraw/zinc/79/87/85/949798785.db2.gz CREOSVLMWRPFDB-UEKVPHQBSA-N 0 3 386.460 0.160 20 0 GCADHN C[C@H](NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281022 949799034 /nfs/dbraw/zinc/79/90/34/949799034.db2.gz BPKZPCDCWFRLBB-MJVIPROJSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574481742 949799447 /nfs/dbraw/zinc/79/94/47/949799447.db2.gz URCPSSQMZQEXIQ-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574481742 949799463 /nfs/dbraw/zinc/79/94/63/949799463.db2.gz URCPSSQMZQEXIQ-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575281390 949808339 /nfs/dbraw/zinc/80/83/39/949808339.db2.gz FQBQFBVPLQLKRL-STQMWFEESA-N 0 3 388.476 0.678 20 0 GCADHN C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575281390 949808363 /nfs/dbraw/zinc/80/83/63/949808363.db2.gz FQBQFBVPLQLKRL-STQMWFEESA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574721881 949826636 /nfs/dbraw/zinc/82/66/36/949826636.db2.gz OSAKCFJZTQEQPJ-LBPRGKRZSA-N 0 3 380.474 0.238 20 0 GCADHN C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574721881 949826658 /nfs/dbraw/zinc/82/66/58/949826658.db2.gz OSAKCFJZTQEQPJ-LBPRGKRZSA-N 0 3 380.474 0.238 20 0 GCADHN C[C@H](NC(=O)C[NH2+]CC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575282219 949826944 /nfs/dbraw/zinc/82/69/44/949826944.db2.gz JDLRLAVDHNVKLX-ZBOXLXRLSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574722160 949833131 /nfs/dbraw/zinc/83/31/31/949833131.db2.gz QJGXMZGGHWMJIZ-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574966307 949843867 /nfs/dbraw/zinc/84/38/67/949843867.db2.gz WVRMQNDLFNDBOD-JLLWLGSASA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574966307 949843879 /nfs/dbraw/zinc/84/38/79/949843879.db2.gz WVRMQNDLFNDBOD-JLLWLGSASA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574966308 949845891 /nfs/dbraw/zinc/84/58/91/949845891.db2.gz WVRMQNDLFNDBOD-WCQGTBRESA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574966308 949845911 /nfs/dbraw/zinc/84/59/11/949845911.db2.gz WVRMQNDLFNDBOD-WCQGTBRESA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1CCc1cnn(C)c1 ZINC001575884675 949850232 /nfs/dbraw/zinc/85/02/32/949850232.db2.gz VJVVQILAXNTAOM-WFASDCNBSA-N 0 3 383.460 0.754 20 0 GCADHN CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574967263 949864501 /nfs/dbraw/zinc/86/45/01/949864501.db2.gz FXZYTYWZOMGFIS-RYUDHWBXSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC001574967100 949865459 /nfs/dbraw/zinc/86/54/59/949865459.db2.gz FEOROHHRKRXYML-NWDGAFQWSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H](NC(=O)C[NH2+][C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)C1CC1 ZINC001575283506 949876073 /nfs/dbraw/zinc/87/60/73/949876073.db2.gz PBZGPWSMCCSYRC-ZUZCIYMTSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(N)=O ZINC001574484505 949882903 /nfs/dbraw/zinc/88/29/03/949882903.db2.gz HZNBJUIQIQKUOO-IUODEOHRSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(N)=O ZINC001574484505 949882926 /nfs/dbraw/zinc/88/29/26/949882926.db2.gz HZNBJUIQIQKUOO-IUODEOHRSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574724926 949883546 /nfs/dbraw/zinc/88/35/46/949883546.db2.gz MIFWPHQWPODIDG-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001574968127 949885829 /nfs/dbraw/zinc/88/58/29/949885829.db2.gz LTNSFLFDFHGWLV-YPMHNXCESA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574484639 949893747 /nfs/dbraw/zinc/89/37/47/949893747.db2.gz LCMFPINNLRZGDK-UONOGXRCSA-N 0 3 381.444 0.934 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968419 949898334 /nfs/dbraw/zinc/89/83/34/949898334.db2.gz PFXZYPJFRUSAMG-IUODEOHRSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968419 949898356 /nfs/dbraw/zinc/89/83/56/949898356.db2.gz PFXZYPJFRUSAMG-IUODEOHRSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574726025 949926692 /nfs/dbraw/zinc/92/66/92/949926692.db2.gz FPHCAZZLNCHQRN-WMLDXEAASA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574485680 949928370 /nfs/dbraw/zinc/92/83/70/949928370.db2.gz YUVKVJVTWRVSBG-KBPBESRZSA-N 0 3 381.444 0.934 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001574972511 949937924 /nfs/dbraw/zinc/93/79/24/949937924.db2.gz CHZIYFLCWZZKTP-GFCCVEGCSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001574972512 949941554 /nfs/dbraw/zinc/94/15/54/949941554.db2.gz CHZIYFLCWZZKTP-LBPRGKRZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574727041 949948178 /nfs/dbraw/zinc/94/81/78/949948178.db2.gz NZEGFJFKECFTRN-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575285544 949948024 /nfs/dbraw/zinc/94/80/24/949948024.db2.gz OJBFHDFBYRRXQW-KGLIPLIRSA-N 0 3 387.492 0.718 20 0 GCADHN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575285544 949948042 /nfs/dbraw/zinc/94/80/42/949948042.db2.gz OJBFHDFBYRRXQW-KGLIPLIRSA-N 0 3 387.492 0.718 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147961 949964430 /nfs/dbraw/zinc/96/44/30/949964430.db2.gz HDPTUJPNUFBSBP-STQMWFEESA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147961 949964450 /nfs/dbraw/zinc/96/44/50/949964450.db2.gz HDPTUJPNUFBSBP-STQMWFEESA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147961 949964474 /nfs/dbraw/zinc/96/44/74/949964474.db2.gz HDPTUJPNUFBSBP-STQMWFEESA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147961 949964495 /nfs/dbraw/zinc/96/44/95/949964495.db2.gz HDPTUJPNUFBSBP-STQMWFEESA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574147984 949968259 /nfs/dbraw/zinc/96/82/59/949968259.db2.gz HZUXYFSLOMLXKY-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574147984 949968273 /nfs/dbraw/zinc/96/82/73/949968273.db2.gz HZUXYFSLOMLXKY-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574147984 949968291 /nfs/dbraw/zinc/96/82/91/949968291.db2.gz HZUXYFSLOMLXKY-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574147984 949968317 /nfs/dbraw/zinc/96/83/17/949968317.db2.gz HZUXYFSLOMLXKY-OCCSQVGLSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576180866 949974715 /nfs/dbraw/zinc/97/47/15/949974715.db2.gz JWYQMALADAEZDG-DOMZBBRYSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576180866 949974732 /nfs/dbraw/zinc/97/47/32/949974732.db2.gz JWYQMALADAEZDG-DOMZBBRYSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001574974201 949974884 /nfs/dbraw/zinc/97/48/84/949974884.db2.gz MAKLUWDHXQJYLV-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001574974201 949974898 /nfs/dbraw/zinc/97/48/98/949974898.db2.gz MAKLUWDHXQJYLV-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001574974200 949975173 /nfs/dbraw/zinc/97/51/73/949975173.db2.gz MAKLUWDHXQJYLV-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001574974200 949975195 /nfs/dbraw/zinc/97/51/95/949975195.db2.gz MAKLUWDHXQJYLV-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574974700 949995777 /nfs/dbraw/zinc/99/57/77/949995777.db2.gz RYJWPHTULISGSH-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574974700 949995786 /nfs/dbraw/zinc/99/57/86/949995786.db2.gz RYJWPHTULISGSH-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1cncn1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574728669 950000541 /nfs/dbraw/zinc/00/05/41/950000541.db2.gz GSJKLJIPSRWWAU-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1cncn1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574728669 950000563 /nfs/dbraw/zinc/00/05/63/950000563.db2.gz GSJKLJIPSRWWAU-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[NH+](C)C ZINC001574149166 950003938 /nfs/dbraw/zinc/00/39/38/950003938.db2.gz UHAXIEYUNMOQJP-ZDUSSCGKSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[NH+](C)C ZINC001574149166 950003958 /nfs/dbraw/zinc/00/39/58/950003958.db2.gz UHAXIEYUNMOQJP-ZDUSSCGKSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574150390 950028709 /nfs/dbraw/zinc/02/87/09/950028709.db2.gz ZMWZDWMCMDJYOM-QWHCGFSZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574150390 950028729 /nfs/dbraw/zinc/02/87/29/950028729.db2.gz ZMWZDWMCMDJYOM-QWHCGFSZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574150390 950028749 /nfs/dbraw/zinc/02/87/49/950028749.db2.gz ZMWZDWMCMDJYOM-QWHCGFSZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574150390 950028772 /nfs/dbraw/zinc/02/87/72/950028772.db2.gz ZMWZDWMCMDJYOM-QWHCGFSZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cn(C)nn1 ZINC001574150961 950046349 /nfs/dbraw/zinc/04/63/49/950046349.db2.gz ICVWXFCEJSWCHE-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cn(C)nn1 ZINC001574150961 950046373 /nfs/dbraw/zinc/04/63/73/950046373.db2.gz ICVWXFCEJSWCHE-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575892141 950053587 /nfs/dbraw/zinc/05/35/87/950053587.db2.gz SBPVIMZZWSWOCX-AAEUAGOBSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CC(=O)NC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574492259 950074310 /nfs/dbraw/zinc/07/43/10/950074310.db2.gz LOOOLTPTBABYQH-LBPRGKRZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183295 950078901 /nfs/dbraw/zinc/07/89/01/950078901.db2.gz PCMMGIBMECAWLL-ZIAGYGMSSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575892754 950080896 /nfs/dbraw/zinc/08/08/96/950080896.db2.gz ZFCJYOLSKJQNSS-RYUDHWBXSA-N 0 3 384.444 0.010 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574151483 950082056 /nfs/dbraw/zinc/08/20/56/950082056.db2.gz SOFFTTFKYNOGGY-JKSUJKDBSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574151483 950082076 /nfs/dbraw/zinc/08/20/76/950082076.db2.gz SOFFTTFKYNOGGY-JKSUJKDBSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1COCCO1 ZINC001574151530 950083138 /nfs/dbraw/zinc/08/31/38/950083138.db2.gz UMWRJKSIWBFGFI-IRXDYDNUSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1COCCO1 ZINC001574151530 950083154 /nfs/dbraw/zinc/08/31/54/950083154.db2.gz UMWRJKSIWBFGFI-IRXDYDNUSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151615 950088954 /nfs/dbraw/zinc/08/89/54/950088954.db2.gz WGERMVKNZCXRKN-FZMZJTMJSA-N 0 3 388.476 0.596 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574976741 950097468 /nfs/dbraw/zinc/09/74/68/950097468.db2.gz ZPYRQSOKUVKAKU-TZMCWYRMSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574976741 950097488 /nfs/dbraw/zinc/09/74/88/950097488.db2.gz ZPYRQSOKUVKAKU-TZMCWYRMSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574976741 950097506 /nfs/dbraw/zinc/09/75/06/950097506.db2.gz ZPYRQSOKUVKAKU-TZMCWYRMSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574976741 950097524 /nfs/dbraw/zinc/09/75/24/950097524.db2.gz ZPYRQSOKUVKAKU-TZMCWYRMSA-N 0 3 388.476 0.692 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001574976794 950102378 /nfs/dbraw/zinc/10/23/78/950102378.db2.gz AVDLQDWDDSTEQW-WCQYABFASA-N 0 3 383.412 0.743 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574493393 950128366 /nfs/dbraw/zinc/12/83/66/950128366.db2.gz GHFPKXRMHAKOLB-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574493393 950128389 /nfs/dbraw/zinc/12/83/89/950128389.db2.gz GHFPKXRMHAKOLB-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H](O)COc1ccccc1 ZINC001574977997 950129627 /nfs/dbraw/zinc/12/96/27/950129627.db2.gz PCOSDVHBVIRMPG-JSGCOSHPSA-N 0 3 385.428 0.343 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C1(C(N)=O)CC1 ZINC001574153248 950133870 /nfs/dbraw/zinc/13/38/70/950133870.db2.gz PYPIUOFRJKJRQL-AWEZNQCLSA-N 0 3 385.472 0.753 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C1(C(N)=O)CC1 ZINC001574153248 950133894 /nfs/dbraw/zinc/13/38/94/950133894.db2.gz PYPIUOFRJKJRQL-AWEZNQCLSA-N 0 3 385.472 0.753 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574738522 950171707 /nfs/dbraw/zinc/17/17/07/950171707.db2.gz GIZSOEDNFDTTHB-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)n1 ZINC001575900244 950191652 /nfs/dbraw/zinc/19/16/52/950191652.db2.gz CPHIGFWGAXYOQZ-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)n1 ZINC001575900244 950191668 /nfs/dbraw/zinc/19/16/68/950191668.db2.gz CPHIGFWGAXYOQZ-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)[C@@H](C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574982913 950191545 /nfs/dbraw/zinc/19/15/45/950191545.db2.gz IEYWMPOHGMXJKW-RISCZKNCSA-N 0 3 376.465 0.263 20 0 GCADHN 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C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574739987 950217947 /nfs/dbraw/zinc/21/79/47/950217947.db2.gz APWIDUUVJPUIAV-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)NC1CCCC1 ZINC001574983398 950219674 /nfs/dbraw/zinc/21/96/74/950219674.db2.gz OISMZXMQRGNCLQ-VXGBXAGGSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)NC1CCCC1 ZINC001574983398 950219689 /nfs/dbraw/zinc/21/96/89/950219689.db2.gz OISMZXMQRGNCLQ-VXGBXAGGSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)C1=COCCO1 ZINC001575901307 950228454 /nfs/dbraw/zinc/22/84/54/950228454.db2.gz NHTLTTAGPAKTQC-IAQYHMDHSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)C1=COCCO1 ZINC001575901307 950228468 /nfs/dbraw/zinc/22/84/68/950228468.db2.gz NHTLTTAGPAKTQC-IAQYHMDHSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576192141 950229992 /nfs/dbraw/zinc/22/99/92/950229992.db2.gz LXKMKVUPIOJNKR-QWHCGFSZSA-N 0 3 386.460 0.115 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]CC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573845550 950230405 /nfs/dbraw/zinc/23/04/05/950230405.db2.gz GRHDYIQGZVOFPN-UHFFFAOYSA-N 0 3 388.476 0.455 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]CC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573845550 950230422 /nfs/dbraw/zinc/23/04/22/950230422.db2.gz GRHDYIQGZVOFPN-UHFFFAOYSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@H](CC(=O)NCC1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574497720 950238320 /nfs/dbraw/zinc/23/83/20/950238320.db2.gz BPCWDLOXGQJICU-LKSINWNRSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574497720 950238337 /nfs/dbraw/zinc/23/83/37/950238337.db2.gz BPCWDLOXGQJICU-LKSINWNRSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccn1 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C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)C1 ZINC001576194227 950332949 /nfs/dbraw/zinc/33/29/49/950332949.db2.gz XXHXMRGIEZWENF-DOMZBBRYSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)C1 ZINC001576194227 950332968 /nfs/dbraw/zinc/33/29/68/950332968.db2.gz XXHXMRGIEZWENF-DOMZBBRYSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576196197 950353660 /nfs/dbraw/zinc/35/36/60/950353660.db2.gz AFRMPAKWOBUVSY-KGLIPLIRSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576196197 950353678 /nfs/dbraw/zinc/35/36/78/950353678.db2.gz AFRMPAKWOBUVSY-KGLIPLIRSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574744297 950355758 /nfs/dbraw/zinc/35/57/58/950355758.db2.gz YIIJHCZVASYUPT-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574744297 950355774 /nfs/dbraw/zinc/35/57/74/950355774.db2.gz YIIJHCZVASYUPT-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576196414 950358151 /nfs/dbraw/zinc/35/81/51/950358151.db2.gz CTEHYJPVJMDYCA-AWEZNQCLSA-N 0 3 387.492 0.672 20 0 GCADHN CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576196414 950358177 /nfs/dbraw/zinc/35/81/77/950358177.db2.gz CTEHYJPVJMDYCA-AWEZNQCLSA-N 0 3 387.492 0.672 20 0 GCADHN CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576196280 950360548 /nfs/dbraw/zinc/36/05/48/950360548.db2.gz CEPVIZHYLWWGQC-CQSZACIVSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574502198 950363131 /nfs/dbraw/zinc/36/31/31/950363131.db2.gz KIEHOXJQUDQBIG-JSGCOSHPSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574502198 950363151 /nfs/dbraw/zinc/36/31/51/950363151.db2.gz KIEHOXJQUDQBIG-JSGCOSHPSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574502198 950363173 /nfs/dbraw/zinc/36/31/73/950363173.db2.gz KIEHOXJQUDQBIG-JSGCOSHPSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574502198 950363194 /nfs/dbraw/zinc/36/31/94/950363194.db2.gz KIEHOXJQUDQBIG-JSGCOSHPSA-N 0 3 386.460 0.252 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573855279 950365378 /nfs/dbraw/zinc/36/53/78/950365378.db2.gz ORJISGJFUMSYTN-VXGBXAGGSA-N 0 3 388.476 0.740 20 0 GCADHN CC1CC[NH+](CC(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001576196673 950367569 /nfs/dbraw/zinc/36/75/69/950367569.db2.gz FVCFVYYBRCHJEN-CQSZACIVSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196714 950373536 /nfs/dbraw/zinc/37/35/36/950373536.db2.gz GGRPGXNXODJXLQ-KGLIPLIRSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196916 950376174 /nfs/dbraw/zinc/37/61/74/950376174.db2.gz JACBDBGLDVEODL-KGLIPLIRSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196916 950376192 /nfs/dbraw/zinc/37/61/92/950376192.db2.gz JACBDBGLDVEODL-KGLIPLIRSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196918 950379335 /nfs/dbraw/zinc/37/93/35/950379335.db2.gz JACBDBGLDVEODL-ZIAGYGMSSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576196918 950379354 /nfs/dbraw/zinc/37/93/54/950379354.db2.gz JACBDBGLDVEODL-ZIAGYGMSSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574990613 950380003 /nfs/dbraw/zinc/38/00/03/950380003.db2.gz DGZDFGKILXMXSG-GFCCVEGCSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574990613 950380025 /nfs/dbraw/zinc/38/00/25/950380025.db2.gz DGZDFGKILXMXSG-GFCCVEGCSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575908895 950381046 /nfs/dbraw/zinc/38/10/46/950381046.db2.gz WXHYUDBTRKGQIA-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574502502 950387253 /nfs/dbraw/zinc/38/72/53/950387253.db2.gz OGSXQTRCEIQSHS-TZMCWYRMSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574502502 950387276 /nfs/dbraw/zinc/38/72/76/950387276.db2.gz OGSXQTRCEIQSHS-TZMCWYRMSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576197445 950390500 /nfs/dbraw/zinc/39/05/00/950390500.db2.gz OAHJFQIZPVQXQU-ZIAGYGMSSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576197404 950390687 /nfs/dbraw/zinc/39/06/87/950390687.db2.gz NERWYMSGHKQUQW-KGLIPLIRSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576197404 950390706 /nfs/dbraw/zinc/39/07/06/950390706.db2.gz NERWYMSGHKQUQW-KGLIPLIRSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)c1ncn(C)n1 ZINC001575909245 950392074 /nfs/dbraw/zinc/39/20/74/950392074.db2.gz XYAVHOOGJJRIKZ-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)c1ncn(C)n1 ZINC001575909245 950392092 /nfs/dbraw/zinc/39/20/92/950392092.db2.gz XYAVHOOGJJRIKZ-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576197443 950392234 /nfs/dbraw/zinc/39/22/34/950392234.db2.gz OAHJFQIZPVQXQU-KGLIPLIRSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574746829 950399809 /nfs/dbraw/zinc/39/98/09/950399809.db2.gz QDCBYYWUBJYDFT-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574746829 950399829 /nfs/dbraw/zinc/39/98/29/950399829.db2.gz QDCBYYWUBJYDFT-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)C1=COCCO1 ZINC001575909601 950404585 /nfs/dbraw/zinc/40/45/85/950404585.db2.gz ZJVJXVCFVKWEAH-NHYWBVRUSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)C1=COCCO1 ZINC001575909601 950404602 /nfs/dbraw/zinc/40/46/02/950404602.db2.gz ZJVJXVCFVKWEAH-NHYWBVRUSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198911 950412421 /nfs/dbraw/zinc/41/24/21/950412421.db2.gz WLNHHMZOKKUWRO-UONOGXRCSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198911 950412438 /nfs/dbraw/zinc/41/24/38/950412438.db2.gz WLNHHMZOKKUWRO-UONOGXRCSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575910370 950417861 /nfs/dbraw/zinc/41/78/61/950417861.db2.gz KHQWZYZZKJEQJT-RISCZKNCSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575910370 950417875 /nfs/dbraw/zinc/41/78/75/950417875.db2.gz KHQWZYZZKJEQJT-RISCZKNCSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576199245 950420056 /nfs/dbraw/zinc/42/00/56/950420056.db2.gz XVNVZSUVJCJFAZ-CABCVRRESA-N 0 3 384.488 0.888 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576199245 950420065 /nfs/dbraw/zinc/42/00/65/950420065.db2.gz XVNVZSUVJCJFAZ-CABCVRRESA-N 0 3 384.488 0.888 20 0 GCADHN C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576199296 950425002 /nfs/dbraw/zinc/42/50/02/950425002.db2.gz YGWIQLAPFHPXRF-KGLIPLIRSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576199294 950425696 /nfs/dbraw/zinc/42/56/96/950425696.db2.gz YGWIQLAPFHPXRF-KBPBESRZSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199447 950425977 /nfs/dbraw/zinc/42/59/77/950425977.db2.gz YWGYTMOGXUDKNX-KGLIPLIRSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199447 950425990 /nfs/dbraw/zinc/42/59/90/950425990.db2.gz YWGYTMOGXUDKNX-KGLIPLIRSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574506607 950436654 /nfs/dbraw/zinc/43/66/54/950436654.db2.gz AKRHRJOTOAGUBD-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574506607 950436670 /nfs/dbraw/zinc/43/66/70/950436670.db2.gz AKRHRJOTOAGUBD-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc2n(n1)CCO2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574750703 950441243 /nfs/dbraw/zinc/44/12/43/950441243.db2.gz GBXYZRXRWMGTBV-GFCCVEGCSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc2n(n1)CCO2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574750703 950441252 /nfs/dbraw/zinc/44/12/52/950441252.db2.gz GBXYZRXRWMGTBV-GFCCVEGCSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575912196 950459111 /nfs/dbraw/zinc/45/91/11/950459111.db2.gz QJPDFECVIKJZQQ-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575912196 950459122 /nfs/dbraw/zinc/45/91/22/950459122.db2.gz QJPDFECVIKJZQQ-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCC[NH+](C)C ZINC001574751920 950466062 /nfs/dbraw/zinc/46/60/62/950466062.db2.gz RJUYJRMCKSPQTA-GFCCVEGCSA-N 0 3 376.465 0.503 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCC[NH+](C)C ZINC001574751920 950466069 /nfs/dbraw/zinc/46/60/69/950466069.db2.gz RJUYJRMCKSPQTA-GFCCVEGCSA-N 0 3 376.465 0.503 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574508054 950469613 /nfs/dbraw/zinc/46/96/13/950469613.db2.gz LYBFWEPOKNNDDH-CORIIIEPSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574508054 950469621 /nfs/dbraw/zinc/46/96/21/950469621.db2.gz LYBFWEPOKNNDDH-CORIIIEPSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575912959 950472558 /nfs/dbraw/zinc/47/25/58/950472558.db2.gz RZNVNUCFZYFSIZ-ABAIWWIYSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575912959 950472570 /nfs/dbraw/zinc/47/25/70/950472570.db2.gz RZNVNUCFZYFSIZ-ABAIWWIYSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001576204819 950478988 /nfs/dbraw/zinc/47/89/88/950478988.db2.gz RLPCIVKBPBQCRG-XBFCOCLRSA-N 0 3 386.435 0.532 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001576204819 950478997 /nfs/dbraw/zinc/47/89/97/950478997.db2.gz RLPCIVKBPBQCRG-XBFCOCLRSA-N 0 3 386.435 0.532 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576204949 950487085 /nfs/dbraw/zinc/48/70/85/950487085.db2.gz SRADCVPMWYDUJZ-KGLIPLIRSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576204949 950487108 /nfs/dbraw/zinc/48/71/08/950487108.db2.gz SRADCVPMWYDUJZ-KGLIPLIRSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576205488 950517758 /nfs/dbraw/zinc/51/77/58/950517758.db2.gz ZDDPWAPHNKCEOL-ZDUSSCGKSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576205488 950517774 /nfs/dbraw/zinc/51/77/74/950517774.db2.gz ZDDPWAPHNKCEOL-ZDUSSCGKSA-N 0 3 385.476 0.474 20 0 GCADHN CC(C)(C)OCC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573867353 950532833 /nfs/dbraw/zinc/53/28/33/950532833.db2.gz XDQWXNLMHKKDSG-OAHLLOKOSA-N 0 3 388.472 0.999 20 0 GCADHN CC(C)(C)OCC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573867353 950532846 /nfs/dbraw/zinc/53/28/46/950532846.db2.gz XDQWXNLMHKKDSG-OAHLLOKOSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574997376 950545517 /nfs/dbraw/zinc/54/55/17/950545517.db2.gz UHWQVKAMFAGUBK-JTQLQIEISA-N 0 3 386.391 0.008 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574997376 950545538 /nfs/dbraw/zinc/54/55/38/950545538.db2.gz UHWQVKAMFAGUBK-JTQLQIEISA-N 0 3 386.391 0.008 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574999087 950568060 /nfs/dbraw/zinc/56/80/60/950568060.db2.gz FZSVTGRWCKKIGS-SNVBAGLBSA-N 0 3 385.453 0.935 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574999087 950568072 /nfs/dbraw/zinc/56/80/72/950568072.db2.gz FZSVTGRWCKKIGS-SNVBAGLBSA-N 0 3 385.453 0.935 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CCn1cc(Cl)cn1 ZINC001574754550 950572490 /nfs/dbraw/zinc/57/24/90/950572490.db2.gz MMVIRPJSXDFZSG-JTQLQIEISA-N 0 3 377.840 0.795 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CCn1cc(Cl)cn1 ZINC001574754550 950572506 /nfs/dbraw/zinc/57/25/06/950572506.db2.gz MMVIRPJSXDFZSG-JTQLQIEISA-N 0 3 377.840 0.795 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573870105 950585538 /nfs/dbraw/zinc/58/55/38/950585538.db2.gz DQZRTBOZKOPEBG-LBPRGKRZSA-N 0 3 380.424 0.388 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573870105 950585548 /nfs/dbraw/zinc/58/55/48/950585548.db2.gz DQZRTBOZKOPEBG-LBPRGKRZSA-N 0 3 380.424 0.388 20 0 GCADHN C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccncc1-c1nn[nH]n1 ZINC001575000023 950589364 /nfs/dbraw/zinc/58/93/64/950589364.db2.gz OHPAPOMFVNEUBF-LLVKDONJSA-N 0 3 385.432 0.211 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@](COC)(C(=O)[O-])C3)CC2)CC1 ZINC001589741267 950595547 /nfs/dbraw/zinc/59/55/47/950595547.db2.gz IUMIIZISEARGPA-HXUWFJFHSA-N 0 3 397.516 0.511 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)C1 ZINC001576207398 950595710 /nfs/dbraw/zinc/59/57/10/950595710.db2.gz HCMKSIXBWYUHPG-BFHYXJOUSA-N 0 3 385.476 0.187 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)C1 ZINC001576207398 950595725 /nfs/dbraw/zinc/59/57/25/950595725.db2.gz HCMKSIXBWYUHPG-BFHYXJOUSA-N 0 3 385.476 0.187 20 0 GCADHN CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576208075 950606196 /nfs/dbraw/zinc/60/61/96/950606196.db2.gz MHUFJGFDHBNQFQ-ZIAGYGMSSA-N 0 3 387.492 0.941 20 0 GCADHN CC(C)[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576208075 950606205 /nfs/dbraw/zinc/60/62/05/950606205.db2.gz MHUFJGFDHBNQFQ-ZIAGYGMSSA-N 0 3 387.492 0.941 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574515318 950629213 /nfs/dbraw/zinc/62/92/13/950629213.db2.gz COHXTBGNWQPRFA-ZMLRMANQSA-N 0 3 390.423 0.190 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574515318 950629226 /nfs/dbraw/zinc/62/92/26/950629226.db2.gz COHXTBGNWQPRFA-ZMLRMANQSA-N 0 3 390.423 0.190 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574517708 950644700 /nfs/dbraw/zinc/64/47/00/950644700.db2.gz LNPWMPPCCPOXEU-OASPWFOLSA-N 0 3 390.423 0.190 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574517708 950644711 /nfs/dbraw/zinc/64/47/11/950644711.db2.gz LNPWMPPCCPOXEU-OASPWFOLSA-N 0 3 390.423 0.190 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574518275 950650695 /nfs/dbraw/zinc/65/06/95/950650695.db2.gz NFWXMYXDMMVMQE-UXIGCNINSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574518275 950650701 /nfs/dbraw/zinc/65/07/01/950650701.db2.gz NFWXMYXDMMVMQE-UXIGCNINSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574519507 950680100 /nfs/dbraw/zinc/68/01/00/950680100.db2.gz DYULAYZPXNIWJZ-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574519507 950680109 /nfs/dbraw/zinc/68/01/09/950680109.db2.gz DYULAYZPXNIWJZ-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574519433 950680496 /nfs/dbraw/zinc/68/04/96/950680496.db2.gz VPSJAESRIXFHEF-IHRRRGAJSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574760932 950686915 /nfs/dbraw/zinc/68/69/15/950686915.db2.gz OSVSXCZVEWFHDK-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574762583 950710132 /nfs/dbraw/zinc/71/01/32/950710132.db2.gz ZCXCBWSZDZSIRD-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574762583 950710149 /nfs/dbraw/zinc/71/01/49/950710149.db2.gz ZCXCBWSZDZSIRD-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001575008894 950760705 /nfs/dbraw/zinc/76/07/05/950760705.db2.gz JVEARQGTKQVPOP-GFCCVEGCSA-N 0 3 388.476 0.646 20 0 GCADHN CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008936 950764075 /nfs/dbraw/zinc/76/40/75/950764075.db2.gz KVFGANXCQQKXSI-NEPJUHHUSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574764828 950765739 /nfs/dbraw/zinc/76/57/39/950765739.db2.gz ZBZHXMHYTORCEI-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008939 950766635 /nfs/dbraw/zinc/76/66/35/950766635.db2.gz KVFGANXCQQKXSI-VXGBXAGGSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574521089 950767509 /nfs/dbraw/zinc/76/75/09/950767509.db2.gz CZULEJIRVXNTAI-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574521089 950767523 /nfs/dbraw/zinc/76/75/23/950767523.db2.gz CZULEJIRVXNTAI-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CCNC(N)=O ZINC001574521090 950767931 /nfs/dbraw/zinc/76/79/31/950767931.db2.gz CZULEJIRVXNTAI-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)CCNC(N)=O ZINC001574521090 950767953 /nfs/dbraw/zinc/76/79/53/950767953.db2.gz CZULEJIRVXNTAI-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C1CS(=O)(=O)C1 ZINC001574521046 950768356 /nfs/dbraw/zinc/76/83/56/950768356.db2.gz CPJJBHWYCKLDSH-RYUDHWBXSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C1CS(=O)(=O)C1 ZINC001574521046 950768367 /nfs/dbraw/zinc/76/83/67/950768367.db2.gz CPJJBHWYCKLDSH-RYUDHWBXSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)Cn1ncnn1 ZINC001574521332 950776129 /nfs/dbraw/zinc/77/61/29/950776129.db2.gz FLWWFKMUGNNPPV-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)Cn1ncnn1 ZINC001574521332 950776147 /nfs/dbraw/zinc/77/61/47/950776147.db2.gz FLWWFKMUGNNPPV-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575009587 950788231 /nfs/dbraw/zinc/78/82/31/950788231.db2.gz VFCKWRSNOMICNW-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575009587 950788245 /nfs/dbraw/zinc/78/82/45/950788245.db2.gz VFCKWRSNOMICNW-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574766850 950832649 /nfs/dbraw/zinc/83/26/49/950832649.db2.gz NFFOOUJOTUOWHV-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574766850 950832668 /nfs/dbraw/zinc/83/26/68/950832668.db2.gz NFFOOUJOTUOWHV-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CCn1cnnn1 ZINC001574523962 950843032 /nfs/dbraw/zinc/84/30/32/950843032.db2.gz SPKVNHXVIPOVOO-QWHCGFSZSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CCn1cnnn1 ZINC001574523962 950843049 /nfs/dbraw/zinc/84/30/49/950843049.db2.gz SPKVNHXVIPOVOO-QWHCGFSZSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)Cn1cncn1 ZINC001574524158 950850141 /nfs/dbraw/zinc/85/01/41/950850141.db2.gz UENULDPPEQYPML-VXGBXAGGSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)Cn1cncn1 ZINC001574524158 950850169 /nfs/dbraw/zinc/85/01/69/950850169.db2.gz UENULDPPEQYPML-VXGBXAGGSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574524666 950867864 /nfs/dbraw/zinc/86/78/64/950867864.db2.gz YFPZCXWDVHYNAV-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574524666 950867875 /nfs/dbraw/zinc/86/78/75/950867875.db2.gz YFPZCXWDVHYNAV-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CN1CCOCC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574524536 950868269 /nfs/dbraw/zinc/86/82/69/950868269.db2.gz XZQBSBJPOZHWEM-CABCVRRESA-N 0 3 387.488 0.572 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CN1CCOCC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574524536 950868284 /nfs/dbraw/zinc/86/82/84/950868284.db2.gz XZQBSBJPOZHWEM-CABCVRRESA-N 0 3 387.488 0.572 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767881 950869293 /nfs/dbraw/zinc/86/92/93/950869293.db2.gz QWVLCKUJEKONBN-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767881 950869314 /nfs/dbraw/zinc/86/93/14/950869314.db2.gz QWVLCKUJEKONBN-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767881 950869337 /nfs/dbraw/zinc/86/93/37/950869337.db2.gz QWVLCKUJEKONBN-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767881 950869355 /nfs/dbraw/zinc/86/93/55/950869355.db2.gz QWVLCKUJEKONBN-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)c1cnnn1C ZINC001574527181 950882032 /nfs/dbraw/zinc/88/20/32/950882032.db2.gz AJLGKSROGRVOTM-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)c1cnnn1C ZINC001574527181 950882053 /nfs/dbraw/zinc/88/20/53/950882053.db2.gz AJLGKSROGRVOTM-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN CC1(C)C[C@H](NC(=O)CC(N)=O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575640822 950903455 /nfs/dbraw/zinc/90/34/55/950903455.db2.gz KWSGBROJSMAGDZ-CQSZACIVSA-N 0 3 385.472 0.849 20 0 GCADHN CC1(C)C[C@H](NC(=O)CC(N)=O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575640822 950903469 /nfs/dbraw/zinc/90/34/69/950903469.db2.gz KWSGBROJSMAGDZ-CQSZACIVSA-N 0 3 385.472 0.849 20 0 GCADHN CC1(C)C[C@H](NC(=O)CC(N)=O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575640822 950903482 /nfs/dbraw/zinc/90/34/82/950903482.db2.gz KWSGBROJSMAGDZ-CQSZACIVSA-N 0 3 385.472 0.849 20 0 GCADHN CC1(C)C[C@H](NC(=O)CC(N)=O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575640822 950903497 /nfs/dbraw/zinc/90/34/97/950903497.db2.gz KWSGBROJSMAGDZ-CQSZACIVSA-N 0 3 385.472 0.849 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575015171 950923632 /nfs/dbraw/zinc/92/36/32/950923632.db2.gz NCBFIUWIQREFBN-STQMWFEESA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575015171 950923643 /nfs/dbraw/zinc/92/36/43/950923643.db2.gz NCBFIUWIQREFBN-STQMWFEESA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575015171 950923656 /nfs/dbraw/zinc/92/36/56/950923656.db2.gz NCBFIUWIQREFBN-STQMWFEESA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575015171 950923669 /nfs/dbraw/zinc/92/36/69/950923669.db2.gz NCBFIUWIQREFBN-STQMWFEESA-N 0 3 388.476 0.692 20 0 GCADHN C[C@@H](CN(C)CCNC(=O)NC(C)(C)C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574772125 950959687 /nfs/dbraw/zinc/95/96/87/950959687.db2.gz PRYRNOYZOSJADJ-NSHDSACASA-N 0 3 391.480 0.343 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530343 950978760 /nfs/dbraw/zinc/97/87/60/950978760.db2.gz BVNMAUGJAHHIJH-RYUDHWBXSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530343 950978779 /nfs/dbraw/zinc/97/87/79/950978779.db2.gz BVNMAUGJAHHIJH-RYUDHWBXSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001575017508 950999663 /nfs/dbraw/zinc/99/96/63/950999663.db2.gz KYNXDIWFLUFJBX-FZMZJTMJSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001575017508 950999680 /nfs/dbraw/zinc/99/96/80/950999680.db2.gz KYNXDIWFLUFJBX-FZMZJTMJSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)c1cn(C)nn1 ZINC001574530860 951002496 /nfs/dbraw/zinc/00/24/96/951002496.db2.gz YBUDQDRKHHATHE-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)c1cn(C)nn1 ZINC001574530860 951002515 /nfs/dbraw/zinc/00/25/15/951002515.db2.gz YBUDQDRKHHATHE-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575017693 951010342 /nfs/dbraw/zinc/01/03/42/951010342.db2.gz IYPMAOOTRVWXAC-SECBINFHSA-N 0 3 386.391 0.341 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575017693 951010356 /nfs/dbraw/zinc/01/03/56/951010356.db2.gz IYPMAOOTRVWXAC-SECBINFHSA-N 0 3 386.391 0.341 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575018603 951020416 /nfs/dbraw/zinc/02/04/16/951020416.db2.gz MPTLDLSJPSAWKV-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575020093 951050831 /nfs/dbraw/zinc/05/08/31/951050831.db2.gz YFRAMWDWWOZJHD-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575020093 951050843 /nfs/dbraw/zinc/05/08/43/951050843.db2.gz YFRAMWDWWOZJHD-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575020093 951050857 /nfs/dbraw/zinc/05/08/57/951050857.db2.gz YFRAMWDWWOZJHD-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575020093 951050874 /nfs/dbraw/zinc/05/08/74/951050874.db2.gz YFRAMWDWWOZJHD-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575021212 951058966 /nfs/dbraw/zinc/05/89/66/951058966.db2.gz BQMAYWYEAZJDOR-VIFPVBQESA-N 0 3 387.375 0.606 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575024280 951099225 /nfs/dbraw/zinc/09/92/25/951099225.db2.gz ZJIQRNLKKXCDRZ-VIFPVBQESA-N 0 3 387.375 0.606 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575024280 951099239 /nfs/dbraw/zinc/09/92/39/951099239.db2.gz ZJIQRNLKKXCDRZ-VIFPVBQESA-N 0 3 387.375 0.606 20 0 GCADHN C[C@@H](CNC(=O)c1cccnc1C(N)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575032156 951217349 /nfs/dbraw/zinc/21/73/49/951217349.db2.gz SBXOMTDRSQGRDQ-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1cccnc1C(N)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575032156 951217358 /nfs/dbraw/zinc/21/73/58/951217358.db2.gz SBXOMTDRSQGRDQ-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575036482 951296311 /nfs/dbraw/zinc/29/63/11/951296311.db2.gz SVZJRVYNTPQHDT-GFCCVEGCSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575038195 951314025 /nfs/dbraw/zinc/31/40/25/951314025.db2.gz HEIGALWAZGDQNY-NSHDSACASA-N 0 3 383.412 0.396 20 0 GCADHN C[C@@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575038195 951314037 /nfs/dbraw/zinc/31/40/37/951314037.db2.gz HEIGALWAZGDQNY-NSHDSACASA-N 0 3 383.412 0.396 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575041779 951347421 /nfs/dbraw/zinc/34/74/21/951347421.db2.gz CBMAFAAWLHBTJT-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575041940 951351746 /nfs/dbraw/zinc/35/17/46/951351746.db2.gz DHLLXEUKOSQENI-LBPRGKRZSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575041940 951351755 /nfs/dbraw/zinc/35/17/55/951351755.db2.gz DHLLXEUKOSQENI-LBPRGKRZSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575041940 951351765 /nfs/dbraw/zinc/35/17/65/951351765.db2.gz DHLLXEUKOSQENI-LBPRGKRZSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575041940 951351773 /nfs/dbraw/zinc/35/17/73/951351773.db2.gz DHLLXEUKOSQENI-LBPRGKRZSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575043147 951383823 /nfs/dbraw/zinc/38/38/23/951383823.db2.gz GEPSCWCTSVTKCW-GFCCVEGCSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575043147 951383830 /nfs/dbraw/zinc/38/38/30/951383830.db2.gz GEPSCWCTSVTKCW-GFCCVEGCSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575044806 951418041 /nfs/dbraw/zinc/41/80/41/951418041.db2.gz VKUAGFMDGYRXSR-GFCCVEGCSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575044806 951418047 /nfs/dbraw/zinc/41/80/47/951418047.db2.gz VKUAGFMDGYRXSR-GFCCVEGCSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cnn2ncccc12)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575053705 951481158 /nfs/dbraw/zinc/48/11/58/951481158.db2.gz DBOYALWQBUWWKB-LBPRGKRZSA-N 0 3 377.412 0.818 20 0 GCADHN C[C@@H](CNC(=O)c1cnn2ncccc12)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575053705 951481162 /nfs/dbraw/zinc/48/11/62/951481162.db2.gz DBOYALWQBUWWKB-LBPRGKRZSA-N 0 3 377.412 0.818 20 0 GCADHN CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575069557 951643951 /nfs/dbraw/zinc/64/39/51/951643951.db2.gz KKICANZUCWGGLJ-NEPJUHHUSA-N 0 3 376.465 0.311 20 0 GCADHN CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575069557 951643953 /nfs/dbraw/zinc/64/39/53/951643953.db2.gz KKICANZUCWGGLJ-NEPJUHHUSA-N 0 3 376.465 0.311 20 0 GCADHN C[C@@H](C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575069871 951646517 /nfs/dbraw/zinc/64/65/17/951646517.db2.gz MPLFBFRNKYUCLX-WCQYABFASA-N 0 3 388.476 0.644 20 0 GCADHN C[C@](C[NH2+]CC(=O)NCC1CC1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575070633 951653625 /nfs/dbraw/zinc/65/36/25/951653625.db2.gz SSGHRCOKWFHKPI-GOSISDBHSA-N 0 3 386.460 0.209 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001575070717 951653732 /nfs/dbraw/zinc/65/37/32/951653732.db2.gz UKUZOAPUCVNYBV-STQMWFEESA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H](C[NH2+][C@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575071231 951657189 /nfs/dbraw/zinc/65/71/89/951657189.db2.gz YUPYFESBTZLRBV-AAEUAGOBSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)Nc1nccs1 ZINC001575077076 951661302 /nfs/dbraw/zinc/66/13/02/951661302.db2.gz BUDWVLGYSPJWRX-SECBINFHSA-N 0 3 389.445 0.246 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575077432 951668952 /nfs/dbraw/zinc/66/89/52/951668952.db2.gz CPDYAJLMLZSQIP-NEPJUHHUSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077456 951669162 /nfs/dbraw/zinc/66/91/62/951669162.db2.gz DHRJMKKYRAGESL-RYUDHWBXSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077456 951669169 /nfs/dbraw/zinc/66/91/69/951669169.db2.gz DHRJMKKYRAGESL-RYUDHWBXSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077577 951670671 /nfs/dbraw/zinc/67/06/71/951670671.db2.gz GXVJNYHEXGXURK-NEPJUHHUSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077577 951670676 /nfs/dbraw/zinc/67/06/76/951670676.db2.gz GXVJNYHEXGXURK-NEPJUHHUSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077585 951671514 /nfs/dbraw/zinc/67/15/14/951671514.db2.gz GUEVRSKCDNMIDX-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)Nc1ccccc1 ZINC001575077599 951672846 /nfs/dbraw/zinc/67/28/46/951672846.db2.gz GWEYVARDJFRBED-GFCCVEGCSA-N 0 3 382.428 0.789 20 0 GCADHN C[C@@H](CNC(=O)C1(C(N)=O)CC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078487 951680844 /nfs/dbraw/zinc/68/08/44/951680844.db2.gz KJEIKOYYCBCCSB-SNVBAGLBSA-N 0 3 375.408 0.113 20 0 GCADHN C[C@@H](CNC(=O)C1(C(N)=O)CC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078487 951680849 /nfs/dbraw/zinc/68/08/49/951680849.db2.gz KJEIKOYYCBCCSB-SNVBAGLBSA-N 0 3 375.408 0.113 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078413 951681777 /nfs/dbraw/zinc/68/17/77/951681777.db2.gz LKBYSKKIZBUPNE-NWDGAFQWSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078413 951681783 /nfs/dbraw/zinc/68/17/83/951681783.db2.gz LKBYSKKIZBUPNE-NWDGAFQWSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078654 951684833 /nfs/dbraw/zinc/68/48/33/951684833.db2.gz LIMIFZGIMPRAEG-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078654 951684836 /nfs/dbraw/zinc/68/48/36/951684836.db2.gz LIMIFZGIMPRAEG-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575078874 951686331 /nfs/dbraw/zinc/68/63/31/951686331.db2.gz AVDDDDREVXKJRB-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575078874 951686335 /nfs/dbraw/zinc/68/63/35/951686335.db2.gz AVDDDDREVXKJRB-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575079029 951687259 /nfs/dbraw/zinc/68/72/59/951687259.db2.gz CJDCSEXHMRYSPL-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575079029 951687264 /nfs/dbraw/zinc/68/72/64/951687264.db2.gz CJDCSEXHMRYSPL-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575079357 951690818 /nfs/dbraw/zinc/69/08/18/951690818.db2.gz DCCQPFHBOQMOFS-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575079357 951690824 /nfs/dbraw/zinc/69/08/24/951690824.db2.gz DCCQPFHBOQMOFS-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079513 951692449 /nfs/dbraw/zinc/69/24/49/951692449.db2.gz QFASXWDKGGXUOA-WBMJQRKESA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079513 951692453 /nfs/dbraw/zinc/69/24/53/951692453.db2.gz QFASXWDKGGXUOA-WBMJQRKESA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079505 951692468 /nfs/dbraw/zinc/69/24/68/951692468.db2.gz FQLQFRSPDFNIFM-WCQYABFASA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079505 951692473 /nfs/dbraw/zinc/69/24/73/951692473.db2.gz FQLQFRSPDFNIFM-WCQYABFASA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575079442 951692578 /nfs/dbraw/zinc/69/25/78/951692578.db2.gz FBWZFUNFFVSUAC-NHYWBVRUSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575079442 951692585 /nfs/dbraw/zinc/69/25/85/951692585.db2.gz FBWZFUNFFVSUAC-NHYWBVRUSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079924 951699522 /nfs/dbraw/zinc/69/95/22/951699522.db2.gz SZWWMEKUKZIGBC-NEPJUHHUSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079924 951699525 /nfs/dbraw/zinc/69/95/25/951699525.db2.gz SZWWMEKUKZIGBC-NEPJUHHUSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575079859 951699618 /nfs/dbraw/zinc/69/96/18/951699618.db2.gz HROOZBRAUKKABT-WFASDCNBSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575079859 951699620 /nfs/dbraw/zinc/69/96/20/951699620.db2.gz HROOZBRAUKKABT-WFASDCNBSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079992 951701520 /nfs/dbraw/zinc/70/15/20/951701520.db2.gz IKXLFHOVQSGHBK-GTNSWQLSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079992 951701522 /nfs/dbraw/zinc/70/15/22/951701522.db2.gz IKXLFHOVQSGHBK-GTNSWQLSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)NCCC(C)(C)C ZINC001575080163 951704146 /nfs/dbraw/zinc/70/41/46/951704146.db2.gz PFPBYABVKPAVAZ-GFCCVEGCSA-N 0 3 390.492 0.703 20 0 GCADHN C[C@@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080458 951709761 /nfs/dbraw/zinc/70/97/61/951709761.db2.gz MHUOWGGJBXJHSJ-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080458 951709767 /nfs/dbraw/zinc/70/97/67/951709767.db2.gz MHUOWGGJBXJHSJ-GFCCVEGCSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575080484 951710287 /nfs/dbraw/zinc/71/02/87/951710287.db2.gz WXGGPSIGLGWREV-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575080534 951713088 /nfs/dbraw/zinc/71/30/88/951713088.db2.gz XYAGUYUIUHXPMJ-TVQRCGJNSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080740 951714643 /nfs/dbraw/zinc/71/46/43/951714643.db2.gz ZAIYBIJJLPJLCE-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080740 951714646 /nfs/dbraw/zinc/71/46/46/951714646.db2.gz ZAIYBIJJLPJLCE-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081136 951720301 /nfs/dbraw/zinc/72/03/01/951720301.db2.gz OMPXOGLFVLJOBK-MLGOLLRUSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081136 951720310 /nfs/dbraw/zinc/72/03/10/951720310.db2.gz OMPXOGLFVLJOBK-MLGOLLRUSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081164 951720643 /nfs/dbraw/zinc/72/06/43/951720643.db2.gz PBJSTZJSEBIFGG-LLVKDONJSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081164 951720654 /nfs/dbraw/zinc/72/06/54/951720654.db2.gz PBJSTZJSEBIFGG-LLVKDONJSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081371 951721710 /nfs/dbraw/zinc/72/17/10/951721710.db2.gz UCLZNIRNSWBESE-IAQYHMDHSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081371 951721717 /nfs/dbraw/zinc/72/17/17/951721717.db2.gz UCLZNIRNSWBESE-IAQYHMDHSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081373 951722532 /nfs/dbraw/zinc/72/25/32/951722532.db2.gz UCLZNIRNSWBESE-XHDPSFHLSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081373 951722544 /nfs/dbraw/zinc/72/25/44/951722544.db2.gz UCLZNIRNSWBESE-XHDPSFHLSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082193 951731673 /nfs/dbraw/zinc/73/16/73/951731673.db2.gz VLGXUDSHFRFJNM-XHDPSFHLSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082193 951731676 /nfs/dbraw/zinc/73/16/76/951731676.db2.gz VLGXUDSHFRFJNM-XHDPSFHLSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575082550 951734475 /nfs/dbraw/zinc/73/44/75/951734475.db2.gz XBVNMOZYRAGGEQ-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575082550 951734479 /nfs/dbraw/zinc/73/44/79/951734479.db2.gz XBVNMOZYRAGGEQ-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082710 951736487 /nfs/dbraw/zinc/73/64/87/951736487.db2.gz YJTHRQNDAAZQMY-WDEREUQCSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082710 951736494 /nfs/dbraw/zinc/73/64/94/951736494.db2.gz YJTHRQNDAAZQMY-WDEREUQCSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082901 951737863 /nfs/dbraw/zinc/73/78/63/951737863.db2.gz ZIYHISOCMBKNDB-WDEREUQCSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082901 951737869 /nfs/dbraw/zinc/73/78/69/951737869.db2.gz ZIYHISOCMBKNDB-WDEREUQCSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575088480 951739274 /nfs/dbraw/zinc/73/92/74/951739274.db2.gz ACLDVEYZTZYOIJ-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088579 951741198 /nfs/dbraw/zinc/74/11/98/951741198.db2.gz BQPPMEQFEOTSFJ-ZFWWWQNUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088579 951741204 /nfs/dbraw/zinc/74/12/04/951741204.db2.gz BQPPMEQFEOTSFJ-ZFWWWQNUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088575 951741571 /nfs/dbraw/zinc/74/15/71/951741571.db2.gz BQPPMEQFEOTSFJ-DZGCQCFKSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088575 951741578 /nfs/dbraw/zinc/74/15/78/951741578.db2.gz BQPPMEQFEOTSFJ-DZGCQCFKSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CCCC(N)=O ZINC001575088920 951744205 /nfs/dbraw/zinc/74/42/05/951744205.db2.gz CUBMRTQYOTXWDZ-NSHDSACASA-N 0 3 377.424 0.598 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575089390 951748946 /nfs/dbraw/zinc/74/89/46/951748946.db2.gz HCANJDNCCSZAJO-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575089778 951754420 /nfs/dbraw/zinc/75/44/20/951754420.db2.gz IOFKIWRGNALFBV-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090561 951762099 /nfs/dbraw/zinc/76/20/99/951762099.db2.gz MHTIESJHWRYDKN-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090561 951762108 /nfs/dbraw/zinc/76/21/08/951762108.db2.gz MHTIESJHWRYDKN-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090958 951766202 /nfs/dbraw/zinc/76/62/02/951766202.db2.gz ONPNOXUWBZHEJB-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090958 951766210 /nfs/dbraw/zinc/76/62/10/951766210.db2.gz ONPNOXUWBZHEJB-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575091219 951771932 /nfs/dbraw/zinc/77/19/32/951771932.db2.gz OKSVQABRXAQAIX-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575091207 951772105 /nfs/dbraw/zinc/77/21/05/951772105.db2.gz OKMQQAAINQBKCL-DNVCBOLYSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575091207 951772117 /nfs/dbraw/zinc/77/21/17/951772117.db2.gz OKMQQAAINQBKCL-DNVCBOLYSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091231 951772344 /nfs/dbraw/zinc/77/23/44/951772344.db2.gz QFCDKORRNWTPPQ-WDEREUQCSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091231 951772352 /nfs/dbraw/zinc/77/23/52/951772352.db2.gz QFCDKORRNWTPPQ-WDEREUQCSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091320 951773394 /nfs/dbraw/zinc/77/33/94/951773394.db2.gz QZGOJKUAFVNMJQ-XHDPSFHLSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091320 951773400 /nfs/dbraw/zinc/77/34/00/951773400.db2.gz QZGOJKUAFVNMJQ-XHDPSFHLSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575091428 951775246 /nfs/dbraw/zinc/77/52/46/951775246.db2.gz QYKSVICNOKSHQR-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CCNC(N)=O ZINC001575091656 951780937 /nfs/dbraw/zinc/78/09/37/951780937.db2.gz UAWMWJREJNEBRX-SNVBAGLBSA-N 0 3 378.412 0.001 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091864 951784897 /nfs/dbraw/zinc/78/48/97/951784897.db2.gz WEYOVDBVPQLTKH-XJKSGUPXSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091864 951784903 /nfs/dbraw/zinc/78/49/03/951784903.db2.gz WEYOVDBVPQLTKH-XJKSGUPXSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CCn1cncn1 ZINC001575091883 951784942 /nfs/dbraw/zinc/78/49/42/951784942.db2.gz WMRNCOHEWUOQFY-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)Cc1cnn(C)c1 ZINC001575091977 951788036 /nfs/dbraw/zinc/78/80/36/951788036.db2.gz WXABXJJBIRGHJO-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575092004 951789847 /nfs/dbraw/zinc/78/98/47/951789847.db2.gz XRFDCMVRJDCARD-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575092248 951791592 /nfs/dbraw/zinc/79/15/92/951791592.db2.gz BGYONVSEPXBOHD-WQVCFCJDSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575092248 951791600 /nfs/dbraw/zinc/79/16/00/951791600.db2.gz BGYONVSEPXBOHD-WQVCFCJDSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575093039 951796382 /nfs/dbraw/zinc/79/63/82/951796382.db2.gz HNUUGJWPPMKMHQ-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575093039 951796387 /nfs/dbraw/zinc/79/63/87/951796387.db2.gz HNUUGJWPPMKMHQ-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575092948 951797346 /nfs/dbraw/zinc/79/73/46/951797346.db2.gz GHKSBIUHJMRIPJ-MAZHCROVSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575092948 951797351 /nfs/dbraw/zinc/79/73/51/951797351.db2.gz GHKSBIUHJMRIPJ-MAZHCROVSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CCN1CCCC1=O ZINC001575093289 951799241 /nfs/dbraw/zinc/79/92/41/951799241.db2.gz HQUXWINVHHRPSH-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CCN1CCCC1=O ZINC001575093289 951799247 /nfs/dbraw/zinc/79/92/47/951799247.db2.gz HQUXWINVHHRPSH-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575093450 951800009 /nfs/dbraw/zinc/80/00/09/951800009.db2.gz JXPADRCIYFHXCS-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575093450 951800013 /nfs/dbraw/zinc/80/00/13/951800013.db2.gz JXPADRCIYFHXCS-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575094701 951804895 /nfs/dbraw/zinc/80/48/95/951804895.db2.gz NOGRGIPZAWZXEY-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575094701 951804906 /nfs/dbraw/zinc/80/49/06/951804906.db2.gz NOGRGIPZAWZXEY-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098444 951822956 /nfs/dbraw/zinc/82/29/56/951822956.db2.gz DECUNFSZPBHYEJ-SECBINFHSA-N 0 3 376.446 0.523 20 0 GCADHN C[C@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101498 951859626 /nfs/dbraw/zinc/85/96/26/951859626.db2.gz FWLJYKNSHQLDCP-JTQLQIEISA-N 0 3 385.407 0.534 20 0 GCADHN C[C@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101498 951859628 /nfs/dbraw/zinc/85/96/28/951859628.db2.gz FWLJYKNSHQLDCP-JTQLQIEISA-N 0 3 385.407 0.534 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102384 951868004 /nfs/dbraw/zinc/86/80/04/951868004.db2.gz MKKQUCZTQDICSM-DGCLKSJQSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102384 951868014 /nfs/dbraw/zinc/86/80/14/951868014.db2.gz MKKQUCZTQDICSM-DGCLKSJQSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102706 951869653 /nfs/dbraw/zinc/86/96/53/951869653.db2.gz OWDDNXBOUVMXFZ-DGCLKSJQSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102706 951869661 /nfs/dbraw/zinc/86/96/61/951869661.db2.gz OWDDNXBOUVMXFZ-DGCLKSJQSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C1=COCCO1 ZINC001575104142 951882162 /nfs/dbraw/zinc/88/21/62/951882162.db2.gz XRNGZQPCDQIPBX-NSHDSACASA-N 0 3 376.392 0.831 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C1=COCCO1 ZINC001575104142 951882169 /nfs/dbraw/zinc/88/21/69/951882169.db2.gz XRNGZQPCDQIPBX-NSHDSACASA-N 0 3 376.392 0.831 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575104202 951884683 /nfs/dbraw/zinc/88/46/83/951884683.db2.gz YBLARDBTSSMGJK-GXTWGEPZSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575104202 951884689 /nfs/dbraw/zinc/88/46/89/951884689.db2.gz YBLARDBTSSMGJK-GXTWGEPZSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104847 951887979 /nfs/dbraw/zinc/88/79/79/951887979.db2.gz FGLZMDYEQRXEPC-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104847 951887988 /nfs/dbraw/zinc/88/79/88/951887988.db2.gz FGLZMDYEQRXEPC-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104896 951889649 /nfs/dbraw/zinc/88/96/49/951889649.db2.gz GNFHWKCVGZQDGP-NWDGAFQWSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104896 951889656 /nfs/dbraw/zinc/88/96/56/951889656.db2.gz GNFHWKCVGZQDGP-NWDGAFQWSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCCC1=O ZINC001575105163 951890160 /nfs/dbraw/zinc/89/01/60/951890160.db2.gz HHKXPWQJUPWURY-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCCC1=O ZINC001575105163 951890168 /nfs/dbraw/zinc/89/01/68/951890168.db2.gz HHKXPWQJUPWURY-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575105448 951893800 /nfs/dbraw/zinc/89/38/00/951893800.db2.gz JVSDIZIIJKJUPN-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575105448 951893803 /nfs/dbraw/zinc/89/38/03/951893803.db2.gz JVSDIZIIJKJUPN-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575105449 951893907 /nfs/dbraw/zinc/89/39/07/951893907.db2.gz JVSDIZIIJKJUPN-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575105449 951893910 /nfs/dbraw/zinc/89/39/10/951893910.db2.gz JVSDIZIIJKJUPN-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105633 951895222 /nfs/dbraw/zinc/89/52/22/951895222.db2.gz LWZXMELJUUPVMB-IUODEOHRSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105633 951895230 /nfs/dbraw/zinc/89/52/30/951895230.db2.gz LWZXMELJUUPVMB-IUODEOHRSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575105595 951897079 /nfs/dbraw/zinc/89/70/79/951897079.db2.gz KXFQPIUHHQNNDM-LPHOPBHVSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575105595 951897089 /nfs/dbraw/zinc/89/70/89/951897089.db2.gz KXFQPIUHHQNNDM-LPHOPBHVSA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105844 951901386 /nfs/dbraw/zinc/90/13/86/951901386.db2.gz OMKHTMFDTHMTJM-GFCCVEGCSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105844 951901392 /nfs/dbraw/zinc/90/13/92/951901392.db2.gz OMKHTMFDTHMTJM-GFCCVEGCSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575106602 951904490 /nfs/dbraw/zinc/90/44/90/951904490.db2.gz SUQLOILXQRWFBB-WCQYABFASA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575106602 951904496 /nfs/dbraw/zinc/90/44/96/951904496.db2.gz SUQLOILXQRWFBB-WCQYABFASA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106535 951905009 /nfs/dbraw/zinc/90/50/09/951905009.db2.gz RUMCUZXUCDFBEO-DZGCQCFKSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106535 951905015 /nfs/dbraw/zinc/90/50/15/951905015.db2.gz RUMCUZXUCDFBEO-DZGCQCFKSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CCn1cncn1 ZINC001575106847 951906919 /nfs/dbraw/zinc/90/69/19/951906919.db2.gz VJQUXFUJDCSITM-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CCn1cncn1 ZINC001575106847 951906926 /nfs/dbraw/zinc/90/69/26/951906926.db2.gz VJQUXFUJDCSITM-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107130 951912853 /nfs/dbraw/zinc/91/28/53/951912853.db2.gz ZOTYJTMLRNIAFO-XJKSGUPXSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107130 951912859 /nfs/dbraw/zinc/91/28/59/951912859.db2.gz ZOTYJTMLRNIAFO-XJKSGUPXSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107087 951912895 /nfs/dbraw/zinc/91/28/95/951912895.db2.gz YMDLFLXCCCEVIH-CYBMUJFWSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107087 951912899 /nfs/dbraw/zinc/91/28/99/951912899.db2.gz YMDLFLXCCCEVIH-CYBMUJFWSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107129 951913770 /nfs/dbraw/zinc/91/37/70/951913770.db2.gz ZOTYJTMLRNIAFO-CZUORRHYSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107129 951913775 /nfs/dbraw/zinc/91/37/75/951913775.db2.gz ZOTYJTMLRNIAFO-CZUORRHYSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107167 951914684 /nfs/dbraw/zinc/91/46/84/951914684.db2.gz AIXDKUDORLQSRK-DOMZBBRYSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107167 951914691 /nfs/dbraw/zinc/91/46/91/951914691.db2.gz AIXDKUDORLQSRK-DOMZBBRYSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575107231 951915621 /nfs/dbraw/zinc/91/56/21/951915621.db2.gz BQBXJJVOXAQZNI-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575107231 951915623 /nfs/dbraw/zinc/91/56/23/951915623.db2.gz BQBXJJVOXAQZNI-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107321 951917573 /nfs/dbraw/zinc/91/75/73/951917573.db2.gz CPBNINZJMGFOCJ-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107321 951917583 /nfs/dbraw/zinc/91/75/83/951917583.db2.gz CPBNINZJMGFOCJ-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575107942 951922382 /nfs/dbraw/zinc/92/23/82/951922382.db2.gz JKWALCQKYRSNOC-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575107942 951922384 /nfs/dbraw/zinc/92/23/84/951922384.db2.gz JKWALCQKYRSNOC-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575107950 951922602 /nfs/dbraw/zinc/92/26/02/951922602.db2.gz JPQFDFYKBGJBNQ-SWLSCSKDSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575107950 951922606 /nfs/dbraw/zinc/92/26/06/951922606.db2.gz JPQFDFYKBGJBNQ-SWLSCSKDSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cccc(=O)n1C ZINC001575107960 951922816 /nfs/dbraw/zinc/92/28/16/951922816.db2.gz JZOQSPJUBOPWIE-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cccc(=O)n1C ZINC001575107960 951922823 /nfs/dbraw/zinc/92/28/23/951922823.db2.gz JZOQSPJUBOPWIE-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575107977 951922999 /nfs/dbraw/zinc/92/29/99/951922999.db2.gz KFYNITYUEQVYOD-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575107977 951923008 /nfs/dbraw/zinc/92/30/08/951923008.db2.gz KFYNITYUEQVYOD-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575108849 951926173 /nfs/dbraw/zinc/92/61/73/951926173.db2.gz OEIYJXZCXRHAOZ-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575108849 951926177 /nfs/dbraw/zinc/92/61/77/951926177.db2.gz OEIYJXZCXRHAOZ-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCN1CCCC1=O ZINC001575108799 951926923 /nfs/dbraw/zinc/92/69/23/951926923.db2.gz NPJSRXURXVHCPT-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCN1CCCC1=O ZINC001575108799 951926929 /nfs/dbraw/zinc/92/69/29/951926929.db2.gz NPJSRXURXVHCPT-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575110383 951939217 /nfs/dbraw/zinc/93/92/17/951939217.db2.gz ZXHXDGUYZSXYFE-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575110383 951939221 /nfs/dbraw/zinc/93/92/21/951939221.db2.gz ZXHXDGUYZSXYFE-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113430 951941504 /nfs/dbraw/zinc/94/15/04/951941504.db2.gz BGEHDTNWMRQZSK-TZMCWYRMSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113430 951941508 /nfs/dbraw/zinc/94/15/08/951941508.db2.gz BGEHDTNWMRQZSK-TZMCWYRMSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113641 951943389 /nfs/dbraw/zinc/94/33/89/951943389.db2.gz COCHJDRYCSPHDF-IUODEOHRSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113641 951943392 /nfs/dbraw/zinc/94/33/92/951943392.db2.gz COCHJDRYCSPHDF-IUODEOHRSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114282 951954192 /nfs/dbraw/zinc/95/41/92/951954192.db2.gz OKTUXMUJJMCGNH-KGLIPLIRSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114282 951954198 /nfs/dbraw/zinc/95/41/98/951954198.db2.gz OKTUXMUJJMCGNH-KGLIPLIRSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115786 951966407 /nfs/dbraw/zinc/96/64/07/951966407.db2.gz YVJOAIHNBLBNRK-KBPBESRZSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115786 951966415 /nfs/dbraw/zinc/96/64/15/951966415.db2.gz YVJOAIHNBLBNRK-KBPBESRZSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575124150 952025300 /nfs/dbraw/zinc/02/53/00/952025300.db2.gz RUIBTZRNXLCTLM-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575124150 952025315 /nfs/dbraw/zinc/02/53/15/952025315.db2.gz RUIBTZRNXLCTLM-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575167965 952338814 /nfs/dbraw/zinc/33/88/14/952338814.db2.gz KBSLLYDWQQFBLY-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575167965 952338819 /nfs/dbraw/zinc/33/88/19/952338819.db2.gz KBSLLYDWQQFBLY-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@@H](Cc1ccco1)C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575196226 952475737 /nfs/dbraw/zinc/47/57/37/952475737.db2.gz FTMLIMUNGSBNSB-XJKSGUPXSA-N 0 3 384.440 0.905 20 0 GCADHN C[C@@H](Cc1ccco1)C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575196226 952475740 /nfs/dbraw/zinc/47/57/40/952475740.db2.gz FTMLIMUNGSBNSB-XJKSGUPXSA-N 0 3 384.440 0.905 20 0 GCADHN C[C@H](Cc1ccco1)C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575196224 952475885 /nfs/dbraw/zinc/47/58/85/952475885.db2.gz FTMLIMUNGSBNSB-CZUORRHYSA-N 0 3 384.440 0.905 20 0 GCADHN C[C@H](Cc1ccco1)C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575196224 952475889 /nfs/dbraw/zinc/47/58/89/952475889.db2.gz FTMLIMUNGSBNSB-CZUORRHYSA-N 0 3 384.440 0.905 20 0 GCADHN C[C@H](Cc1ccco1)C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575196222 952475896 /nfs/dbraw/zinc/47/58/96/952475896.db2.gz FTMLIMUNGSBNSB-CJNGLKHVSA-N 0 3 384.440 0.905 20 0 GCADHN C[C@H](Cc1ccco1)C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575196222 952475899 /nfs/dbraw/zinc/47/58/99/952475899.db2.gz FTMLIMUNGSBNSB-CJNGLKHVSA-N 0 3 384.440 0.905 20 0 GCADHN O=C([C@H]1COCCO1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571119459 952491459 /nfs/dbraw/zinc/49/14/59/952491459.db2.gz BENHLAQBKQMEGJ-SWLSCSKDSA-N 0 3 376.392 0.112 20 0 GCADHN O=C([C@H]1COCCO1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571119459 952491461 /nfs/dbraw/zinc/49/14/61/952491461.db2.gz BENHLAQBKQMEGJ-SWLSCSKDSA-N 0 3 376.392 0.112 20 0 GCADHN Cc1nsc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC001571121723 952522082 /nfs/dbraw/zinc/52/20/82/952522082.db2.gz CDAYDJYJWSNANS-IJLUTSLNSA-N 0 3 376.490 0.667 20 0 GCADHN Cc1nsc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC001571121723 952522088 /nfs/dbraw/zinc/52/20/88/952522088.db2.gz CDAYDJYJWSNANS-IJLUTSLNSA-N 0 3 376.490 0.667 20 0 GCADHN Cc1nsc(N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)c1-c1nnn[n-]1 ZINC001571122774 952526205 /nfs/dbraw/zinc/52/62/05/952526205.db2.gz KKANODRZXQGFAS-GFCCVEGCSA-N 0 3 376.490 0.986 20 0 GCADHN CC[C@H](C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)OC ZINC001571126958 952547905 /nfs/dbraw/zinc/54/79/05/952547905.db2.gz APXHXSSCGBLONS-KGLIPLIRSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@H](C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)OC ZINC001571126958 952547906 /nfs/dbraw/zinc/54/79/06/952547906.db2.gz APXHXSSCGBLONS-KGLIPLIRSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@H](C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)OC ZINC001571126958 952547909 /nfs/dbraw/zinc/54/79/09/952547909.db2.gz APXHXSSCGBLONS-KGLIPLIRSA-N 0 3 377.449 0.441 20 0 GCADHN CC[C@H](C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)OC ZINC001571126958 952547911 /nfs/dbraw/zinc/54/79/11/952547911.db2.gz APXHXSSCGBLONS-KGLIPLIRSA-N 0 3 377.449 0.441 20 0 GCADHN COCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571135893 952610262 /nfs/dbraw/zinc/61/02/62/952610262.db2.gz HHJHKEFOTYMQJF-ABAIWWIYSA-N 0 3 378.408 0.358 20 0 GCADHN O=C(Cc1ncc[nH]1)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571141926 952636944 /nfs/dbraw/zinc/63/69/44/952636944.db2.gz KPVAWPNMYKCIEF-UHFFFAOYSA-N 0 3 378.440 0.867 20 0 GCADHN O=C(Cc1ncc[nH]1)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571141926 952636950 /nfs/dbraw/zinc/63/69/50/952636950.db2.gz KPVAWPNMYKCIEF-UHFFFAOYSA-N 0 3 378.440 0.867 20 0 GCADHN Nc1nccnc1C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571146254 952648012 /nfs/dbraw/zinc/64/80/12/952648012.db2.gz FENRBJYOGLIELX-UHFFFAOYSA-N 0 3 379.428 0.537 20 0 GCADHN Nc1nccnc1C(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571146254 952648016 /nfs/dbraw/zinc/64/80/16/952648016.db2.gz FENRBJYOGLIELX-UHFFFAOYSA-N 0 3 379.428 0.537 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)n1cncn1 ZINC001571147779 952663293 /nfs/dbraw/zinc/66/32/93/952663293.db2.gz QBTVVUHCOCEJBQ-DANNLKNASA-N 0 3 379.428 0.266 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)n1cncn1 ZINC001571147779 952663297 /nfs/dbraw/zinc/66/32/97/952663297.db2.gz QBTVVUHCOCEJBQ-DANNLKNASA-N 0 3 379.428 0.266 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571152208 952682030 /nfs/dbraw/zinc/68/20/30/952682030.db2.gz DQSVTPJXKTXSCX-UHFFFAOYSA-N 0 3 379.852 0.880 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571152208 952682035 /nfs/dbraw/zinc/68/20/35/952682035.db2.gz DQSVTPJXKTXSCX-UHFFFAOYSA-N 0 3 379.852 0.880 20 0 GCADHN COc1nccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571158671 952713741 /nfs/dbraw/zinc/71/37/41/952713741.db2.gz MAWFWUWNVXBHRN-BETUJISGSA-N 0 3 380.412 0.716 20 0 GCADHN COc1nccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571158671 952713746 /nfs/dbraw/zinc/71/37/46/952713746.db2.gz MAWFWUWNVXBHRN-BETUJISGSA-N 0 3 380.412 0.716 20 0 GCADHN O=C(c1cn[nH]c(=O)c1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571160029 952722848 /nfs/dbraw/zinc/72/28/48/952722848.db2.gz BEYFXXKKXZVVLO-HNNXBMFYSA-N 0 3 380.412 0.757 20 0 GCADHN O=C(c1cn[nH]c(=O)c1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571160029 952722852 /nfs/dbraw/zinc/72/28/52/952722852.db2.gz BEYFXXKKXZVVLO-HNNXBMFYSA-N 0 3 380.412 0.757 20 0 GCADHN NC(=O)c1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)c[nH]1 ZINC001571161606 952734455 /nfs/dbraw/zinc/73/44/55/952734455.db2.gz YOZAPQSRCFLRQN-AWEZNQCLSA-N 0 3 380.412 0.298 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571165856 952755694 /nfs/dbraw/zinc/75/56/94/952755694.db2.gz HWISVFHZDHYWQN-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571165856 952755696 /nfs/dbraw/zinc/75/56/96/952755696.db2.gz HWISVFHZDHYWQN-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)Cc1ccn(C)n1 ZINC001571167024 952769374 /nfs/dbraw/zinc/76/93/74/952769374.db2.gz SZPINCBYQYPFLU-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)Cc1ccn(C)n1 ZINC001571167024 952769379 /nfs/dbraw/zinc/76/93/79/952769379.db2.gz SZPINCBYQYPFLU-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571170048 952783303 /nfs/dbraw/zinc/78/33/03/952783303.db2.gz RLHKDHRMRJLCKJ-CXAGYDPISA-N 0 3 380.456 0.779 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)o1 ZINC001571171094 952791802 /nfs/dbraw/zinc/79/18/02/952791802.db2.gz OFTCPLOVNKMRBC-CYBMUJFWSA-N 0 3 381.396 0.563 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001571179948 952857482 /nfs/dbraw/zinc/85/74/82/952857482.db2.gz KVZHGVDGNKOQNC-CJNGLKHVSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001571179948 952857488 /nfs/dbraw/zinc/85/74/88/952857488.db2.gz KVZHGVDGNKOQNC-CJNGLKHVSA-N 0 3 381.444 0.800 20 0 GCADHN Cc1c(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C[C@H]2C)nnn1C ZINC001571185552 952902353 /nfs/dbraw/zinc/90/23/53/952902353.db2.gz NCYRVNBQNOOCBN-BXUZGUMPSA-N 0 3 381.444 0.696 20 0 GCADHN Cc1c(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C[C@H]2C)nnn1C ZINC001571185552 952902354 /nfs/dbraw/zinc/90/23/54/952902354.db2.gz NCYRVNBQNOOCBN-BXUZGUMPSA-N 0 3 381.444 0.696 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571185828 952904058 /nfs/dbraw/zinc/90/40/58/952904058.db2.gz QIEIHWUKILLWGI-CQSZACIVSA-N 0 3 381.444 0.825 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571185828 952904060 /nfs/dbraw/zinc/90/40/60/952904060.db2.gz QIEIHWUKILLWGI-CQSZACIVSA-N 0 3 381.444 0.825 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571185828 952904064 /nfs/dbraw/zinc/90/40/64/952904064.db2.gz QIEIHWUKILLWGI-CQSZACIVSA-N 0 3 381.444 0.825 20 0 GCADHN CCn1ncc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571185828 952904068 /nfs/dbraw/zinc/90/40/68/952904068.db2.gz QIEIHWUKILLWGI-CQSZACIVSA-N 0 3 381.444 0.825 20 0 GCADHN CCn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)nn1 ZINC001571185787 952904605 /nfs/dbraw/zinc/90/46/05/952904605.db2.gz POBZLBWRKZFUOQ-XBXGTLAGSA-N 0 3 381.444 0.776 20 0 GCADHN CCn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC001571185787 952904607 /nfs/dbraw/zinc/90/46/07/952904607.db2.gz POBZLBWRKZFUOQ-XBXGTLAGSA-N 0 3 381.444 0.776 20 0 GCADHN C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571186668 952908969 /nfs/dbraw/zinc/90/89/69/952908969.db2.gz ZJTKPMFQNJINHC-CZUORRHYSA-N 0 3 381.444 0.485 20 0 GCADHN C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571186668 952908972 /nfs/dbraw/zinc/90/89/72/952908972.db2.gz ZJTKPMFQNJINHC-CZUORRHYSA-N 0 3 381.444 0.485 20 0 GCADHN O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C12CCC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571188641 952917958 /nfs/dbraw/zinc/91/79/58/952917958.db2.gz FQUAAIAPMNHBKK-GJZGRUSLSA-N 0 3 381.444 0.722 20 0 GCADHN O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C12CCC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571188641 952917960 /nfs/dbraw/zinc/91/79/60/952917960.db2.gz FQUAAIAPMNHBKK-GJZGRUSLSA-N 0 3 381.444 0.722 20 0 GCADHN O=C(CCn1cncn1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571188959 952922985 /nfs/dbraw/zinc/92/29/85/952922985.db2.gz KUEFEKVNMUFVGF-HNNXBMFYSA-N 0 3 381.444 0.629 20 0 GCADHN O=C(CCn1cncn1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571188959 952922991 /nfs/dbraw/zinc/92/29/91/952922991.db2.gz KUEFEKVNMUFVGF-HNNXBMFYSA-N 0 3 381.444 0.629 20 0 GCADHN Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571189265 952926418 /nfs/dbraw/zinc/92/64/18/952926418.db2.gz OZNWFGSWFABVAD-FZMZJTMJSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571189265 952926424 /nfs/dbraw/zinc/92/64/24/952926424.db2.gz OZNWFGSWFABVAD-FZMZJTMJSA-N 0 3 381.444 0.934 20 0 GCADHN O=C(Cn1cncn1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571189259 952926598 /nfs/dbraw/zinc/92/65/98/952926598.db2.gz OWGBLMRTMMFHEV-MRXNPFEDSA-N 0 3 381.444 0.629 20 0 GCADHN O=C(Cn1cncn1)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571189259 952926603 /nfs/dbraw/zinc/92/66/03/952926603.db2.gz OWGBLMRTMMFHEV-MRXNPFEDSA-N 0 3 381.444 0.629 20 0 GCADHN Cn1cc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571189397 952929016 /nfs/dbraw/zinc/92/90/16/952929016.db2.gz QWPNKSNCGCCQOD-UKRRQHHQSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1cc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571189397 952929019 /nfs/dbraw/zinc/92/90/19/952929019.db2.gz QWPNKSNCGCCQOD-UKRRQHHQSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1cnc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC001571189819 952935756 /nfs/dbraw/zinc/93/57/56/952935756.db2.gz VVTSBZHRLCOSNC-SHTZXODSSA-N 0 3 381.444 0.826 20 0 GCADHN Cn1cnc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC001571189819 952935762 /nfs/dbraw/zinc/93/57/62/952935762.db2.gz VVTSBZHRLCOSNC-SHTZXODSSA-N 0 3 381.444 0.826 20 0 GCADHN Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571189921 952937667 /nfs/dbraw/zinc/93/76/67/952937667.db2.gz ZHJBMQASDGHYLJ-FZMZJTMJSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571189921 952937672 /nfs/dbraw/zinc/93/76/72/952937672.db2.gz ZHJBMQASDGHYLJ-FZMZJTMJSA-N 0 3 381.444 0.934 20 0 GCADHN COc1cc(C[NH2+]C2CC(N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)ccn1 ZINC001571198769 952993794 /nfs/dbraw/zinc/99/37/94/952993794.db2.gz FZXSGLHPVOQHSZ-UHFFFAOYSA-N 0 3 382.428 0.991 20 0 GCADHN COc1cc(C[NH2+]C2CC(N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)ccn1 ZINC001571198769 952993797 /nfs/dbraw/zinc/99/37/97/952993797.db2.gz FZXSGLHPVOQHSZ-UHFFFAOYSA-N 0 3 382.428 0.991 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3[nH]cnc3C)C2)cc1-c1nnn[n-]1 ZINC001571199514 953000935 /nfs/dbraw/zinc/00/09/35/953000935.db2.gz TXBSPSVCSRDPNI-BETUJISGSA-N 0 3 382.428 0.957 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3[nH]cnc3C)C2)cc1-c1nn[n-]n1 ZINC001571199514 953000937 /nfs/dbraw/zinc/00/09/37/953000937.db2.gz TXBSPSVCSRDPNI-BETUJISGSA-N 0 3 382.428 0.957 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571206311 953049084 /nfs/dbraw/zinc/04/90/84/953049084.db2.gz OJFXWWYUDDNJPD-CQSZACIVSA-N 0 3 382.428 0.881 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571206311 953049087 /nfs/dbraw/zinc/04/90/87/953049087.db2.gz OJFXWWYUDDNJPD-CQSZACIVSA-N 0 3 382.428 0.881 20 0 GCADHN Cn1c(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c[nH]c1=O ZINC001571206598 953053143 /nfs/dbraw/zinc/05/31/43/953053143.db2.gz RMEVAVWUZAWXII-ZDUSSCGKSA-N 0 3 382.428 0.700 20 0 GCADHN Cn1c(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c[nH]c1=O ZINC001571206598 953053145 /nfs/dbraw/zinc/05/31/45/953053145.db2.gz RMEVAVWUZAWXII-ZDUSSCGKSA-N 0 3 382.428 0.700 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571206643 953053616 /nfs/dbraw/zinc/05/36/16/953053616.db2.gz VUBKJOBDCZURHI-TZMCWYRMSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571206643 953053617 /nfs/dbraw/zinc/05/36/17/953053617.db2.gz VUBKJOBDCZURHI-TZMCWYRMSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001571206643 953053620 /nfs/dbraw/zinc/05/36/20/953053620.db2.gz VUBKJOBDCZURHI-TZMCWYRMSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001571206643 953053623 /nfs/dbraw/zinc/05/36/23/953053623.db2.gz VUBKJOBDCZURHI-TZMCWYRMSA-N 0 3 382.432 0.023 20 0 GCADHN Cn1nnc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC001571209740 953067019 /nfs/dbraw/zinc/06/70/19/953067019.db2.gz CLZXFBHUVPTERN-AWEZNQCLSA-N 0 3 382.432 0.175 20 0 GCADHN Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC001571209740 953067027 /nfs/dbraw/zinc/06/70/27/953067027.db2.gz CLZXFBHUVPTERN-AWEZNQCLSA-N 0 3 382.432 0.175 20 0 GCADHN Cn1nnc(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC001571209740 953067032 /nfs/dbraw/zinc/06/70/32/953067032.db2.gz CLZXFBHUVPTERN-AWEZNQCLSA-N 0 3 382.432 0.175 20 0 GCADHN Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC001571209740 953067037 /nfs/dbraw/zinc/06/70/37/953067037.db2.gz CLZXFBHUVPTERN-AWEZNQCLSA-N 0 3 382.432 0.175 20 0 GCADHN Cc1cc(NC2(C)CCN(C(=O)Cc3nnc[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211456 953076518 /nfs/dbraw/zinc/07/65/18/953076518.db2.gz BEFKANIMKZZJKH-UHFFFAOYSA-N 0 3 382.432 0.146 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001571211454 953076729 /nfs/dbraw/zinc/07/67/29/953076729.db2.gz BEEKGZCSRZKEAE-WCQYABFASA-N 0 3 382.432 0.784 20 0 GCADHN Cc1nc(N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)ccc1-c1nnn[n-]1 ZINC001571211570 953078583 /nfs/dbraw/zinc/07/85/83/953078583.db2.gz BVPSMUCOHXDKAV-CQSZACIVSA-N 0 3 382.472 0.608 20 0 GCADHN Cc1nc(N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)ccc1-c1nn[n-]n1 ZINC001571211570 953078588 /nfs/dbraw/zinc/07/85/88/953078588.db2.gz BVPSMUCOHXDKAV-CQSZACIVSA-N 0 3 382.472 0.608 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)C1 ZINC001571211790 953081204 /nfs/dbraw/zinc/08/12/04/953081204.db2.gz GRYZDBQBLORYLU-JKIFEVAISA-N 0 3 382.472 0.641 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)C1 ZINC001571211790 953081207 /nfs/dbraw/zinc/08/12/07/953081207.db2.gz GRYZDBQBLORYLU-JKIFEVAISA-N 0 3 382.472 0.641 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571212020 953083001 /nfs/dbraw/zinc/08/30/01/953083001.db2.gz HJLOTKDOUVBTNP-ISTRZQFTSA-N 0 3 382.472 0.862 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571212020 953083005 /nfs/dbraw/zinc/08/30/05/953083005.db2.gz HJLOTKDOUVBTNP-ISTRZQFTSA-N 0 3 382.472 0.862 20 0 GCADHN Cc1cc(N[C@@H]2CCN(C(=O)Cc3nnc[nH]3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212109 953083571 /nfs/dbraw/zinc/08/35/71/953083571.db2.gz IZIXCXNQJSNEBT-GXFFZTMASA-N 0 3 382.432 0.002 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)n1 ZINC001571212284 953086039 /nfs/dbraw/zinc/08/60/39/953086039.db2.gz KQKBARBDBOFUDH-ZSHCYNCHSA-N 0 3 382.472 0.463 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)n1 ZINC001571212284 953086045 /nfs/dbraw/zinc/08/60/45/953086045.db2.gz KQKBARBDBOFUDH-ZSHCYNCHSA-N 0 3 382.472 0.463 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001571212411 953087732 /nfs/dbraw/zinc/08/77/32/953087732.db2.gz LHDKNTWXKGPYFM-IJEWVQPXSA-N 0 3 382.472 0.971 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001571212411 953087735 /nfs/dbraw/zinc/08/77/35/953087735.db2.gz LHDKNTWXKGPYFM-IJEWVQPXSA-N 0 3 382.472 0.971 20 0 GCADHN Cc1cc(N2CC[C@@H](N3CCN(C(=O)C4CC4)CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212540 953088766 /nfs/dbraw/zinc/08/87/66/953088766.db2.gz MYRVROWMCHSHBG-OAHLLOKOSA-N 0 3 382.472 0.703 20 0 GCADHN O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571216906 953104552 /nfs/dbraw/zinc/10/45/52/953104552.db2.gz BYVOYLLIHZDTQG-GOEBONIOSA-N 0 3 382.472 0.689 20 0 GCADHN O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571216906 953104556 /nfs/dbraw/zinc/10/45/56/953104556.db2.gz BYVOYLLIHZDTQG-GOEBONIOSA-N 0 3 382.472 0.689 20 0 GCADHN O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)C12CCC[NH+]1CCC2 ZINC001571217268 953106236 /nfs/dbraw/zinc/10/62/36/953106236.db2.gz DHGJYLIAAFLPGC-AWEZNQCLSA-N 0 3 382.472 0.975 20 0 GCADHN CN(C)Cc1cc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001571222430 953134738 /nfs/dbraw/zinc/13/47/38/953134738.db2.gz FJBGSPRUUDFRGX-XYPYZODXSA-N 0 3 383.416 0.106 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CC2(C1)CC[N@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001571222873 953139814 /nfs/dbraw/zinc/13/98/14/953139814.db2.gz MPCZUUGNIJYLTM-CQSZACIVSA-N 0 3 383.412 0.009 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CC2(C1)CC[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001571222873 953139816 /nfs/dbraw/zinc/13/98/16/953139816.db2.gz MPCZUUGNIJYLTM-CQSZACIVSA-N 0 3 383.412 0.009 20 0 GCADHN CN1C(=O)CC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571230768 953179769 /nfs/dbraw/zinc/17/97/69/953179769.db2.gz JWNQTNVMGDSWJY-MRXNPFEDSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571230768 953179770 /nfs/dbraw/zinc/17/97/70/953179770.db2.gz JWNQTNVMGDSWJY-MRXNPFEDSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001571231012 953182688 /nfs/dbraw/zinc/18/26/88/953182688.db2.gz PZRDTUNSDRGGSR-DNVCBOLYSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001571231012 953182690 /nfs/dbraw/zinc/18/26/90/953182690.db2.gz PZRDTUNSDRGGSR-DNVCBOLYSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571232229 953185892 /nfs/dbraw/zinc/18/58/92/953185892.db2.gz CFCHOHKTVAHNBT-STQMWFEESA-N 0 3 383.460 0.959 20 0 GCADHN C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571232229 953185894 /nfs/dbraw/zinc/18/58/94/953185894.db2.gz CFCHOHKTVAHNBT-STQMWFEESA-N 0 3 383.460 0.959 20 0 GCADHN O=C(NC[C@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC(=O)N1 ZINC001571232121 953186208 /nfs/dbraw/zinc/18/62/08/953186208.db2.gz BNMJENXVNZMJBM-HZPDHXFCSA-N 0 3 383.456 0.616 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571232291 953187238 /nfs/dbraw/zinc/18/72/38/953187238.db2.gz DCDZGYUYSLJLDR-DAXOMENPSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571232291 953187240 /nfs/dbraw/zinc/18/72/40/953187240.db2.gz DCDZGYUYSLJLDR-DAXOMENPSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@@H+]1CCc1cnn(C)c1 ZINC001571233026 953190101 /nfs/dbraw/zinc/19/01/01/953190101.db2.gz NKPBJYHJCZDPLZ-DOMZBBRYSA-N 0 3 383.460 0.754 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[N@H+]1CCc1cnn(C)c1 ZINC001571233026 953190103 /nfs/dbraw/zinc/19/01/03/953190103.db2.gz NKPBJYHJCZDPLZ-DOMZBBRYSA-N 0 3 383.460 0.754 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571233123 953190918 /nfs/dbraw/zinc/19/09/18/953190918.db2.gz PBNLRDQOWQWGLQ-SIWZUTFBSA-N 0 3 383.456 0.520 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571233123 953190919 /nfs/dbraw/zinc/19/09/19/953190919.db2.gz PBNLRDQOWQWGLQ-SIWZUTFBSA-N 0 3 383.456 0.520 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@@]12CCOC2 ZINC001571233350 953191832 /nfs/dbraw/zinc/19/18/32/953191832.db2.gz SJMICAUUFLNGPE-XTDOFWJNSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@]12CCOC2 ZINC001571233350 953191834 /nfs/dbraw/zinc/19/18/34/953191834.db2.gz SJMICAUUFLNGPE-XTDOFWJNSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@@]12CCOC2 ZINC001571233350 953191837 /nfs/dbraw/zinc/19/18/37/953191837.db2.gz SJMICAUUFLNGPE-XTDOFWJNSA-N 0 3 383.456 0.910 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@]12CCOC2 ZINC001571233350 953191838 /nfs/dbraw/zinc/19/18/38/953191838.db2.gz SJMICAUUFLNGPE-XTDOFWJNSA-N 0 3 383.456 0.910 20 0 GCADHN O=C([C@@H]1CCNC(=O)C1)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571233376 953192235 /nfs/dbraw/zinc/19/22/35/953192235.db2.gz TVVNCBYUTFJIAY-OAHLLOKOSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@@H]1CCNC(=O)C1)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571233376 953192239 /nfs/dbraw/zinc/19/22/39/953192239.db2.gz TVVNCBYUTFJIAY-OAHLLOKOSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCC(=O)N1 ZINC001571233460 953192739 /nfs/dbraw/zinc/19/27/39/953192739.db2.gz VOROWRJYOHNZGY-YJYMSZOUSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCC(=O)N1 ZINC001571233460 953192740 /nfs/dbraw/zinc/19/27/40/953192740.db2.gz VOROWRJYOHNZGY-YJYMSZOUSA-N 0 3 383.456 0.474 20 0 GCADHN NC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571233633 953194232 /nfs/dbraw/zinc/19/42/32/953194232.db2.gz ZALYLTQCSBCHEF-MIGQKNRLSA-N 0 3 383.456 0.363 20 0 GCADHN NC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571233633 953194234 /nfs/dbraw/zinc/19/42/34/953194234.db2.gz ZALYLTQCSBCHEF-MIGQKNRLSA-N 0 3 383.456 0.363 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001571233730 953195456 /nfs/dbraw/zinc/19/54/56/953195456.db2.gz BUZRPYOHHNGPBG-XBFCOCLRSA-N 0 3 383.460 0.096 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001571233730 953195462 /nfs/dbraw/zinc/19/54/62/953195462.db2.gz BUZRPYOHHNGPBG-XBFCOCLRSA-N 0 3 383.460 0.096 20 0 GCADHN O=C(c1cn[nH]c(=O)c1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571236163 953216729 /nfs/dbraw/zinc/21/67/29/953216729.db2.gz STCTZLAQCNJFKS-GFCCVEGCSA-N 0 3 384.375 0.506 20 0 GCADHN Cc1nccn1CC(=O)N[C@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571241735 953248614 /nfs/dbraw/zinc/24/86/14/953248614.db2.gz KEYXYANHWQKJRJ-HNNXBMFYSA-N 0 3 384.419 0.901 20 0 GCADHN Cc1nccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571241763 953250061 /nfs/dbraw/zinc/25/00/61/953250061.db2.gz KTRYYSBGSSDJQG-HDJSIYSDSA-N 0 3 384.419 0.948 20 0 GCADHN O=C(Cn1ccnc1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571241840 953250392 /nfs/dbraw/zinc/25/03/92/953250392.db2.gz MUBXOABZQLPBFA-CQSZACIVSA-N 0 3 384.419 0.841 20 0 GCADHN O=C(Cn1ccnc1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571241840 953250396 /nfs/dbraw/zinc/25/03/96/953250396.db2.gz MUBXOABZQLPBFA-CQSZACIVSA-N 0 3 384.419 0.841 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571242622 953258596 /nfs/dbraw/zinc/25/85/96/953258596.db2.gz KIGWQIDDOMKGHM-SOUVJXGZSA-N 0 3 384.444 0.017 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571242622 953258597 /nfs/dbraw/zinc/25/85/97/953258597.db2.gz KIGWQIDDOMKGHM-SOUVJXGZSA-N 0 3 384.444 0.017 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1 ZINC001571245488 953273803 /nfs/dbraw/zinc/27/38/03/953273803.db2.gz JIAUBZGXMSVQPP-MEBBXXQBSA-N 0 3 384.448 0.153 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1 ZINC001571245488 953273805 /nfs/dbraw/zinc/27/38/05/953273805.db2.gz JIAUBZGXMSVQPP-MEBBXXQBSA-N 0 3 384.448 0.153 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001571246084 953280395 /nfs/dbraw/zinc/28/03/95/953280395.db2.gz SESNINFUJSQOJM-AWEZNQCLSA-N 0 3 384.448 0.461 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCC[C@H]([NH2+]CCn2cncn2)C1 ZINC001571246084 953280397 /nfs/dbraw/zinc/28/03/97/953280397.db2.gz SESNINFUJSQOJM-AWEZNQCLSA-N 0 3 384.448 0.461 20 0 GCADHN CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001571246373 953282528 /nfs/dbraw/zinc/28/25/28/953282528.db2.gz ZJHMNDTXTDAXEW-STQMWFEESA-N 0 3 384.448 0.317 20 0 GCADHN CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001571246373 953282532 /nfs/dbraw/zinc/28/25/32/953282532.db2.gz ZJHMNDTXTDAXEW-STQMWFEESA-N 0 3 384.448 0.317 20 0 GCADHN O=C(CN1CCCNC1=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571248572 953295094 /nfs/dbraw/zinc/29/50/94/953295094.db2.gz GVPBVVIHCGXVPY-SHTZXODSSA-N 0 3 384.444 0.019 20 0 GCADHN O=C(CN1CCCNC1=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571248572 953295097 /nfs/dbraw/zinc/29/50/97/953295097.db2.gz GVPBVVIHCGXVPY-SHTZXODSSA-N 0 3 384.444 0.019 20 0 GCADHN NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571252162 953323669 /nfs/dbraw/zinc/32/36/69/953323669.db2.gz XNNYLSAUVLKSBK-UHFFFAOYSA-N 0 3 384.444 0.208 20 0 GCADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN([C@@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001571252108 953324197 /nfs/dbraw/zinc/32/41/97/953324197.db2.gz HKCIJSGXAPONHC-MRXNPFEDSA-N 0 3 384.488 0.827 20 0 GCADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001571252108 953324199 /nfs/dbraw/zinc/32/41/99/953324199.db2.gz HKCIJSGXAPONHC-MRXNPFEDSA-N 0 3 384.488 0.827 20 0 GCADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN([C@@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001571252108 953324203 /nfs/dbraw/zinc/32/42/03/953324203.db2.gz HKCIJSGXAPONHC-MRXNPFEDSA-N 0 3 384.488 0.827 20 0 GCADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001571252108 953324208 /nfs/dbraw/zinc/32/42/08/953324208.db2.gz HKCIJSGXAPONHC-MRXNPFEDSA-N 0 3 384.488 0.827 20 0 GCADHN Cc1nc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571252243 953325557 /nfs/dbraw/zinc/32/55/57/953325557.db2.gz IPPBVQDUQYHUHQ-CABCVRRESA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571252243 953325559 /nfs/dbraw/zinc/32/55/59/953325559.db2.gz IPPBVQDUQYHUHQ-CABCVRRESA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571252243 953325563 /nfs/dbraw/zinc/32/55/63/953325563.db2.gz IPPBVQDUQYHUHQ-CABCVRRESA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571252243 953325566 /nfs/dbraw/zinc/32/55/66/953325566.db2.gz IPPBVQDUQYHUHQ-CABCVRRESA-N 0 3 384.488 0.997 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cn[nH]n1 ZINC001571255712 953353541 /nfs/dbraw/zinc/35/35/41/953353541.db2.gz SNRBVSHCZQQTCV-JQWIXIFHSA-N 0 3 385.407 0.907 20 0 GCADHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594199307 959228102 /nfs/dbraw/zinc/22/81/02/959228102.db2.gz KDVURWUYQZPDBY-LSDHHAIUSA-N 0 3 385.509 0.023 20 0 GCADHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594199307 959228110 /nfs/dbraw/zinc/22/81/10/959228110.db2.gz KDVURWUYQZPDBY-LSDHHAIUSA-N 0 3 385.509 0.023 20 0 GCADHN CC(C)[C@H]([NH2+]CCCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C(=O)[O-] ZINC001591897669 976273167 /nfs/dbraw/zinc/27/31/67/976273167.db2.gz HXDGWPFKDCDSMO-BBWFWOEESA-N 0 3 379.505 0.661 20 0 GCADHN Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC000910180172 981777046 /nfs/dbraw/zinc/77/70/46/981777046.db2.gz SSTGQCOFDCXZMT-HOTGVXAUSA-N 0 3 377.489 0.463 20 0 GCADHN Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC000910180172 981777053 /nfs/dbraw/zinc/77/70/53/981777053.db2.gz SSTGQCOFDCXZMT-HOTGVXAUSA-N 0 3 377.489 0.463 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1=O ZINC001596418762 984046084 /nfs/dbraw/zinc/04/60/84/984046084.db2.gz TZDTWKMELVLQQG-CVEARBPZSA-N 0 3 394.516 0.327 20 0 GCADHN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1=O ZINC001596418762 984046094 /nfs/dbraw/zinc/04/60/94/984046094.db2.gz TZDTWKMELVLQQG-CVEARBPZSA-N 0 3 394.516 0.327 20 0 GCADHN CN1CCN(C(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)C[C@H](C(=O)[O-])C1 ZINC001598604645 993625561 /nfs/dbraw/zinc/62/55/61/993625561.db2.gz VXAJECPLSBBTKP-XLIONFOSSA-N 0 3 375.469 0.488 20 0 GCADHN CN1CCN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C(=O)[O-])C1 ZINC001598604645 993625566 /nfs/dbraw/zinc/62/55/66/993625566.db2.gz VXAJECPLSBBTKP-XLIONFOSSA-N 0 3 375.469 0.488 20 0 GCADHN C[C@H](N[C@H]1CCO[C@H]1C(=O)[O-])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001593356556 995002267 /nfs/dbraw/zinc/00/22/67/995002267.db2.gz GOQWVFLSJCZPJC-JCGIZDLHSA-N 0 3 375.469 0.987 20 0 GCADHN COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc2c([n-]1)n(C)c(=O)n(C)c2=O ZINC001197305307 1126154243 /nfs/dbraw/zinc/15/42/43/1126154243.db2.gz YEPBRWHMCCDBPK-LJQANCHMSA-N 0 3 387.440 0.052 20 0 GCADHN O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1C[NH2+]CCO1 ZINC000643603272 530152516 /nfs/dbraw/zinc/15/25/16/530152516.db2.gz ZCXZQZIVHFGZQS-SNVBAGLBSA-N 0 3 396.296 0.766 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2sccc2Br)[C@H](CN)C1 ZINC000642712302 530155032 /nfs/dbraw/zinc/15/50/32/530155032.db2.gz OMTQINLFXZIFTN-SECBINFHSA-N 0 3 375.292 0.228 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@@](=O)CC[C@@H]1C ZINC000530478207 530120379 /nfs/dbraw/zinc/12/03/79/530120379.db2.gz AVRNWGGZHKASPA-MYODQAERSA-N 0 3 376.548 0.593 20 0 GCADHN COCCN(CCN(C)C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000264367375 530156561 /nfs/dbraw/zinc/15/65/61/530156561.db2.gz CTOURGRFUPYVNR-CQSZACIVSA-N 0 3 389.543 0.938 20 0 GCADHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000607160762 530122107 /nfs/dbraw/zinc/12/21/07/530122107.db2.gz ASLLRHVDVFHLGX-STQMWFEESA-N 0 3 375.516 0.827 20 0 GCADHN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H](N)C1CCOCC1 ZINC000261947460 530130840 /nfs/dbraw/zinc/13/08/40/530130840.db2.gz JWLOUAXWOXBFCO-CQSZACIVSA-N 0 3 385.262 0.995 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262054724 530131050 /nfs/dbraw/zinc/13/10/50/530131050.db2.gz IPNZLTLOJUIRSW-HNNXBMFYSA-N 0 3 399.289 0.912 20 0 GCADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCCCN1CCC[C@@H]1CO ZINC000625001453 530131426 /nfs/dbraw/zinc/13/14/26/530131426.db2.gz QQFDVISKWDTYPN-LLVKDONJSA-N 0 3 384.424 0.954 20 0 GCADHN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000262222833 530133214 /nfs/dbraw/zinc/13/32/14/530133214.db2.gz PHHSLXIZTUKNET-UHFFFAOYSA-N 0 3 387.889 0.904 20 0 GCADHN CC(C)CN1CCC[C@@H](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000533444357 530134088 /nfs/dbraw/zinc/13/40/88/530134088.db2.gz OZVWFRBGIMXDEH-AWEZNQCLSA-N 0 3 389.543 0.980 20 0 GCADHN CS(=O)(=O)C1(C(=O)NC[C@@H](O)c2c(F)cccc2Cl)CCNCC1 ZINC000262558518 530136093 /nfs/dbraw/zinc/13/60/93/530136093.db2.gz QCWMPOVOJCGFFO-GFCCVEGCSA-N 0 3 378.853 0.796 20 0 GCADHN CC1(C)CNCCN1C(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000647840943 530137675 /nfs/dbraw/zinc/13/76/75/530137675.db2.gz QNKNNBMXZGDWPF-UHFFFAOYSA-N 0 3 396.332 0.999 20 0 GCADHN NCCN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000263006716 530138972 /nfs/dbraw/zinc/13/89/72/530138972.db2.gz PJCAZDMUWHZEPP-UHFFFAOYSA-N 0 3 376.320 0.799 20 0 GCADHN CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)C(C)C(=O)NCC(=O)OC(C)C ZINC000414227951 530141364 /nfs/dbraw/zinc/14/13/64/530141364.db2.gz PSOSSMSGDUFNLH-VXGBXAGGSA-N 0 3 378.491 0.551 20 0 GCADHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)[C@H](C)C(=O)NCC(=O)OC(C)C ZINC000414227951 530141367 /nfs/dbraw/zinc/14/13/67/530141367.db2.gz PSOSSMSGDUFNLH-VXGBXAGGSA-N 0 3 378.491 0.551 20 0 GCADHN CCN(CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C1CC1 ZINC000263660527 530143085 /nfs/dbraw/zinc/14/30/85/530143085.db2.gz ASXUCWCHTNMVMK-UHFFFAOYSA-N 0 3 386.543 0.966 20 0 GCADHN CN1CCC(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000263705389 530144474 /nfs/dbraw/zinc/14/44/74/530144474.db2.gz JHJMFAZQJOWRDZ-UHFFFAOYSA-N 0 3 390.303 0.938 20 0 GCADHN COCCN(C)CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000263735539 530145134 /nfs/dbraw/zinc/14/51/34/530145134.db2.gz HOXCGALROYDLCF-UHFFFAOYSA-N 0 3 390.531 0.060 20 0 GCADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000647889219 530188628 /nfs/dbraw/zinc/18/86/28/530188628.db2.gz YTKZGWOSAHNLAS-ZYHUDNBSSA-N 0 3 375.878 0.917 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)N1CCCC[C@H]1C ZINC000046338059 530190916 /nfs/dbraw/zinc/19/09/16/530190916.db2.gz AEWAYJYNNXMVJI-CABCVRRESA-N 0 3 375.539 0.383 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)S(C)(=O)=O ZINC000047936496 530193087 /nfs/dbraw/zinc/19/30/87/530193087.db2.gz WXFDIVSXVVNVLH-SNVBAGLBSA-N 0 3 396.437 0.231 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000564829208 530193213 /nfs/dbraw/zinc/19/32/13/530193213.db2.gz ZZXJZIAGHRJZJV-NWDGAFQWSA-N 0 3 382.258 0.907 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000557199764 530193716 /nfs/dbraw/zinc/19/37/16/530193716.db2.gz JNBHSGBMOKASHD-CHWSQXEVSA-N 0 3 388.515 0.189 20 0 GCADHN CS[C@@H]1CN(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@H]1N(C)C ZINC000516897139 530197445 /nfs/dbraw/zinc/19/74/45/530197445.db2.gz CRGMKUFGTIACRV-CHWSQXEVSA-N 0 3 376.479 0.982 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)N2CCC(OCCN(C)C)CC2)s1 ZINC000557823923 530201414 /nfs/dbraw/zinc/20/14/14/530201414.db2.gz OTIOWWGKDIDIPD-UHFFFAOYSA-N 0 3 376.504 0.833 20 0 GCADHN O=C(COC1CNC1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000584116156 530204305 /nfs/dbraw/zinc/20/43/05/530204305.db2.gz MDVKMRIHVUEOJK-UHFFFAOYSA-N 0 3 384.274 0.890 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)CCn3cc(Br)cn3)C2)nn1 ZINC000647087308 530169749 /nfs/dbraw/zinc/16/97/49/530169749.db2.gz DGWPHCMRTKJYFT-CYBMUJFWSA-N 0 3 382.266 0.950 20 0 GCADHN CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000607253941 530175493 /nfs/dbraw/zinc/17/54/93/530175493.db2.gz XNWGLCJNPXOLCB-OAGGEKHMSA-N 0 3 375.535 0.734 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000539026230 530176149 /nfs/dbraw/zinc/17/61/49/530176149.db2.gz HZUXZOCCIYHCGS-JHJVBQTASA-N 0 3 383.605 0.551 20 0 GCADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)N(C)C)c1 ZINC000047510954 530177272 /nfs/dbraw/zinc/17/72/72/530177272.db2.gz HEDHBSZGGPRKPR-LLVKDONJSA-N 0 3 377.894 0.945 20 0 GCADHN CCS[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000584099479 530184336 /nfs/dbraw/zinc/18/43/36/530184336.db2.gz IGVNCEFLZLFTBB-YNEHKIRRSA-N 0 3 377.532 0.653 20 0 GCADHN CN1CC[C@H]2OCCN(C(=O)CCn3cc(Br)ccc3=O)[C@@H]2C1 ZINC000556711647 530186678 /nfs/dbraw/zinc/18/66/78/530186678.db2.gz PSSDFEYOTSMRQR-ZIAGYGMSSA-N 0 3 384.274 0.932 20 0 GCADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000647888619 530187341 /nfs/dbraw/zinc/18/73/41/530187341.db2.gz KPGWERZVVILUKW-IUODEOHRSA-N 0 3 375.516 0.650 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)NCCS(=O)(=O)NC(C)C)CC1 ZINC000518065988 530224259 /nfs/dbraw/zinc/22/42/59/530224259.db2.gz SDVXANXQNACZQY-UHFFFAOYSA-N 0 3 378.539 0.503 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000588754826 530225764 /nfs/dbraw/zinc/22/57/64/530225764.db2.gz STORXVMBLMVPSN-LLVKDONJSA-N 0 3 383.499 0.557 20 0 GCADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)c1OC ZINC000647200081 530226624 /nfs/dbraw/zinc/22/66/24/530226624.db2.gz HSRGQKBVAMWGNB-SNVBAGLBSA-N 0 3 375.878 0.986 20 0 GCADHN COc1ccsc1S(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000268396603 530226646 /nfs/dbraw/zinc/22/66/46/530226646.db2.gz ODSYPDKQIUZRNN-UHFFFAOYSA-N 0 3 375.516 0.835 20 0 GCADHN COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000588894400 530226911 /nfs/dbraw/zinc/22/69/11/530226911.db2.gz CROXVSUWEGQNIL-HNNXBMFYSA-N 0 3 375.535 0.616 20 0 GCADHN CCOC(=O)C1CCC(O)(CNCCS(=O)(=O)NCC2CCC2)CC1 ZINC000518366419 530227781 /nfs/dbraw/zinc/22/77/81/530227781.db2.gz ZVNWAWHGLIINLS-UHFFFAOYSA-N 0 3 376.519 0.780 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCOc3cccc(Br)c3)CCN2C1=O ZINC000521070889 530227955 /nfs/dbraw/zinc/22/79/55/530227955.db2.gz QOEYTRBXCRGJRJ-OCCSQVGLSA-N 0 3 397.273 0.781 20 0 GCADHN O=S(=O)(CCNS(=O)(=O)c1ccccc1)NC[C@H]1CCN(C2CC2)C1 ZINC000268613764 530230273 /nfs/dbraw/zinc/23/02/73/530230273.db2.gz MWTKAOGPSHEGBJ-CQSZACIVSA-N 0 3 387.527 0.369 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[NH2+]C2CC2)c(OC)c1 ZINC000647209963 530230992 /nfs/dbraw/zinc/23/09/92/530230992.db2.gz BHTZPTYJCSXXQU-UHFFFAOYSA-N 0 3 377.488 0.487 20 0 GCADHN O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCCCN1CCCCC1 ZINC000268667203 530231290 /nfs/dbraw/zinc/23/12/90/530231290.db2.gz YYJFOWWKAZFHDZ-UHFFFAOYSA-N 0 3 389.543 0.760 20 0 GCADHN O=C(NCc1cc(Cl)ccc1Br)C(=O)NC[C@@H]1CNCCO1 ZINC000569363954 530231977 /nfs/dbraw/zinc/23/19/77/530231977.db2.gz SYLJQDCJEMHSJX-NSHDSACASA-N 0 3 390.665 0.823 20 0 GCADHN CN1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)[C@H]2C1 ZINC000328951555 530232001 /nfs/dbraw/zinc/23/20/01/530232001.db2.gz HUDPQAXYZSAQNH-WDEREUQCSA-N 0 3 393.918 0.611 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000269004585 530234592 /nfs/dbraw/zinc/23/45/92/530234592.db2.gz VRFWDSPUBZMWEM-CYBMUJFWSA-N 0 3 384.278 0.411 20 0 GCADHN O=C(C[C@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000269184812 530236422 /nfs/dbraw/zinc/23/64/22/530236422.db2.gz FZLKPAREUCIRHF-NSHDSACASA-N 0 3 393.918 0.613 20 0 GCADHN O=C(C[C@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000269190130 530236540 /nfs/dbraw/zinc/23/65/40/530236540.db2.gz LKPDBWVRWQTCJL-ZDUSSCGKSA-N 0 3 387.889 0.551 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CNCCO3)CC2)c(C)s1 ZINC000269271449 530236656 /nfs/dbraw/zinc/23/66/56/530236656.db2.gz XOTLHKHNDBSGAT-AWEZNQCLSA-N 0 3 387.527 0.576 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1 ZINC000269371506 530239749 /nfs/dbraw/zinc/23/97/49/530239749.db2.gz YXVNLGMVIVHACO-LLVKDONJSA-N 0 3 379.479 0.912 20 0 GCADHN CN(CCC[NH3+])S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000647225735 530240153 /nfs/dbraw/zinc/24/01/53/530240153.db2.gz XNFMDOPHSYPQGJ-UHFFFAOYSA-N 0 3 389.421 0.497 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000269447269 530241265 /nfs/dbraw/zinc/24/12/65/530241265.db2.gz UFTWENNGNKPLKP-UONOGXRCSA-N 0 3 389.543 0.768 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000269447269 530241267 /nfs/dbraw/zinc/24/12/67/530241267.db2.gz UFTWENNGNKPLKP-UONOGXRCSA-N 0 3 389.543 0.768 20 0 GCADHN CCC[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000236761088 530245231 /nfs/dbraw/zinc/24/52/31/530245231.db2.gz JPIVSTAJKLBRQM-UHFFFAOYSA-N 0 3 384.321 0.905 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCC[NH+]1CCC(O)CC1 ZINC000605543321 530245665 /nfs/dbraw/zinc/24/56/65/530245665.db2.gz TYEYNKNDWDMEMH-UHFFFAOYSA-N 0 3 395.934 0.643 20 0 GCADHN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCO[C@@H]([C@@H](C)N)C2)c1 ZINC000647234470 530247983 /nfs/dbraw/zinc/24/79/83/530247983.db2.gz RTKJYKQTNQLOIY-CHWSQXEVSA-N 0 3 376.500 0.444 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000647234498 530248106 /nfs/dbraw/zinc/24/81/06/530248106.db2.gz SAHALJSYKJRLNX-YGRLFVJLSA-N 0 3 395.478 0.324 20 0 GCADHN CS(=O)(=O)N1CCN(CCNCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000643759573 530248414 /nfs/dbraw/zinc/24/84/14/530248414.db2.gz KDTOPYZBZALNBQ-UHFFFAOYSA-N 0 3 377.413 0.675 20 0 GCADHN CO[C@H](CC(C)C)CS(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000566228695 530252306 /nfs/dbraw/zinc/25/23/06/530252306.db2.gz JPAOLGKJFHCYFN-OLZOCXBDSA-N 0 3 375.457 0.803 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@@](C)(O)CN(C)C)s1 ZINC000269859737 530252331 /nfs/dbraw/zinc/25/23/31/530252331.db2.gz CPBRBPBFNQRLKX-CZUORRHYSA-N 0 3 389.543 0.638 20 0 GCADHN CN1CC[C@@H](CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 ZINC000624485102 530209003 /nfs/dbraw/zinc/20/90/03/530209003.db2.gz LNCZVPAGJPZLKZ-LBPRGKRZSA-N 0 3 387.527 0.575 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)NC2CCN(CCCOC)CC2)c1 ZINC000267184325 530209618 /nfs/dbraw/zinc/20/96/18/530209618.db2.gz XLORVOIRKMLNIV-UHFFFAOYSA-N 0 3 375.516 0.887 20 0 GCADHN CCOC(=O)C1CCN(S(=O)(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000558483434 530210048 /nfs/dbraw/zinc/21/00/48/530210048.db2.gz QJMGQKBFWWHCGF-UHFFFAOYSA-N 0 3 393.575 0.923 20 0 GCADHN CC(C(=O)N[C@@](C)(C(=O)N(C)C)C(F)(F)F)S(=O)(=O)C1CCOCC1 ZINC000622898190 530250490 /nfs/dbraw/zinc/25/04/90/530250490.db2.gz IDCCLMXVZVUMTO-ZANVPECISA-N 0 3 388.408 0.494 20 0 GCADHN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000151874010 530250499 /nfs/dbraw/zinc/25/04/99/530250499.db2.gz PEZKMVDIIJMLQG-MRXNPFEDSA-N 0 3 376.498 0.342 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1 ZINC000267316628 530211426 /nfs/dbraw/zinc/21/14/26/530211426.db2.gz FVXLIUFDBYUFHC-UHFFFAOYSA-N 0 3 375.516 0.701 20 0 GCADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000558611401 530212604 /nfs/dbraw/zinc/21/26/04/530212604.db2.gz HRCDTYJSZOVDDF-ZDUSSCGKSA-N 0 3 378.564 0.537 20 0 GCADHN CC(C)(CCS(=O)(=O)NCCCCN1CCC[C@@H]1CO)S(C)(=O)=O ZINC000566020456 530213960 /nfs/dbraw/zinc/21/39/60/530213960.db2.gz QIAIKFDOPSDFCH-CQSZACIVSA-N 0 3 384.564 0.356 20 0 GCADHN CN(C)[C@@H]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1 ZINC000105327072 530250780 /nfs/dbraw/zinc/25/07/80/530250780.db2.gz MSOYVXNVJHHDAE-SNVBAGLBSA-N 0 3 397.277 0.445 20 0 GCADHN COCC[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000571643053 530218989 /nfs/dbraw/zinc/21/89/89/530218989.db2.gz PUOLMCWNWJGRKB-UHFFFAOYSA-N 0 3 384.285 0.624 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000268117695 530221952 /nfs/dbraw/zinc/22/19/52/530221952.db2.gz KMJUIZWXYSDJBC-UHFFFAOYSA-N 0 3 375.491 0.434 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000268138542 530222162 /nfs/dbraw/zinc/22/21/62/530222162.db2.gz CVDXOVHWBYUFMB-UHFFFAOYSA-N 0 3 377.532 0.594 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000268157605 530222212 /nfs/dbraw/zinc/22/22/12/530222212.db2.gz WQCRGVQAUHYGEN-CQSZACIVSA-N 0 3 389.543 0.957 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NC[C@H]1CNCCO1 ZINC000648177417 530274149 /nfs/dbraw/zinc/27/41/49/530274149.db2.gz ZSWQPJMSGNCPDX-SECBINFHSA-N 0 3 382.269 0.376 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NCC1CCN(c2ccncc2)CC1 ZINC000271672067 530274294 /nfs/dbraw/zinc/27/42/94/530274294.db2.gz LNOUPYVRXDIPPA-UHFFFAOYSA-N 0 3 390.531 0.157 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000123678461 530274662 /nfs/dbraw/zinc/27/46/62/530274662.db2.gz WKFTXGPIYQQOLD-LLVKDONJSA-N 0 3 399.289 0.934 20 0 GCADHN C[C@@H](NCC1CCN(S(C)(=O)=O)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271678122 530274794 /nfs/dbraw/zinc/27/47/94/530274794.db2.gz JDWJNFVOUBMIOR-GFCCVEGCSA-N 0 3 375.516 0.656 20 0 GCADHN C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000272197019 530279481 /nfs/dbraw/zinc/27/94/81/530279481.db2.gz OPWSNVZOHPCPRZ-SNVBAGLBSA-N 0 3 387.278 0.900 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000561547060 530280513 /nfs/dbraw/zinc/28/05/13/530280513.db2.gz CJUHREVHELOZAQ-AWEZNQCLSA-N 0 3 392.547 0.165 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000561547061 530280619 /nfs/dbraw/zinc/28/06/19/530280619.db2.gz CJUHREVHELOZAQ-CQSZACIVSA-N 0 3 392.547 0.165 20 0 GCADHN C[C@H]1CN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)[C@@H](C)CN1 ZINC000272634698 530281847 /nfs/dbraw/zinc/28/18/47/530281847.db2.gz WSHXIEJRARBACF-STQMWFEESA-N 0 3 387.527 0.655 20 0 GCADHN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000565043548 530282539 /nfs/dbraw/zinc/28/25/39/530282539.db2.gz GGSRSCQJOOZNSD-GFCCVEGCSA-N 0 3 375.878 0.698 20 0 GCADHN CN(C1CNC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000647299416 530283605 /nfs/dbraw/zinc/28/36/05/530283605.db2.gz FKDCYXHBEQTDTM-UHFFFAOYSA-N 0 3 383.289 0.445 20 0 GCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000561784549 530283743 /nfs/dbraw/zinc/28/37/43/530283743.db2.gz JSNXIZRATDEZOJ-HOCLYGCPSA-N 0 3 375.535 0.664 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)cnc1Br ZINC000272943007 530284198 /nfs/dbraw/zinc/28/41/98/530284198.db2.gz IYGYMEZFPABJCE-UHFFFAOYSA-N 0 3 385.262 0.664 20 0 GCADHN COCCCN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C1CCN(C)CC1 ZINC000427765710 530284902 /nfs/dbraw/zinc/28/49/02/530284902.db2.gz MZUQLDWUEDSUCU-INIZCTEOSA-N 0 3 375.535 0.065 20 0 GCADHN O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCN(c2ccncc2)CC1 ZINC000635133249 530285139 /nfs/dbraw/zinc/28/51/39/530285139.db2.gz RSKKWPDCUUHJDR-CHWSQXEVSA-N 0 3 377.388 0.953 20 0 GCADHN CN(C)CCn1cc(NC(=O)C(=O)NCc2c(Br)cnn2C)cn1 ZINC000635263738 530288314 /nfs/dbraw/zinc/28/83/14/530288314.db2.gz APFSULBDYHSAOX-UHFFFAOYSA-N 0 3 398.265 0.196 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(CCC(=O)NCc2ccccc2Cl)C1 ZINC000107302033 530252967 /nfs/dbraw/zinc/25/29/67/530252967.db2.gz KBZRFZUGFJEXND-CYBMUJFWSA-N 0 3 388.921 0.851 20 0 GCADHN Cn1cc(Br)cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1=O ZINC000124707094 530252988 /nfs/dbraw/zinc/25/29/88/530252988.db2.gz YLJYWAOJPKTPIE-LBPRGKRZSA-N 0 3 397.273 0.687 20 0 GCADHN COCCN1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000269902134 530254023 /nfs/dbraw/zinc/25/40/23/530254023.db2.gz DSEYDNGHBOFUNH-UHFFFAOYSA-N 0 3 393.868 0.967 20 0 GCADHN COCCNCCNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000152279808 530254350 /nfs/dbraw/zinc/25/43/50/530254350.db2.gz WDYUIRLWDWOBCL-UHFFFAOYSA-N 0 3 397.266 0.958 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000269920665 530254500 /nfs/dbraw/zinc/25/45/00/530254500.db2.gz PSYVUAIAJKDGLF-HNNXBMFYSA-N 0 3 377.894 0.389 20 0 GCADHN CC(C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1)S(C)(=O)=O ZINC000109901499 530256751 /nfs/dbraw/zinc/25/67/51/530256751.db2.gz VLHBRZFXHLMXKJ-LLVKDONJSA-N 0 3 384.483 0.875 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000274140045 530293487 /nfs/dbraw/zinc/29/34/87/530293487.db2.gz DESDALCXAHRLRE-TZMCWYRMSA-N 0 3 389.495 0.864 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)C[C@H]1N(C)C ZINC000270451098 530259978 /nfs/dbraw/zinc/25/99/78/530259978.db2.gz JFMLZOWQCPLIBY-CHWSQXEVSA-N 0 3 375.516 0.956 20 0 GCADHN CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)C[C@H]1N(C)C ZINC000270451099 530260009 /nfs/dbraw/zinc/26/00/09/530260009.db2.gz JFMLZOWQCPLIBY-OLZOCXBDSA-N 0 3 375.516 0.956 20 0 GCADHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1N(C)C ZINC000270622989 530262255 /nfs/dbraw/zinc/26/22/55/530262255.db2.gz DRCLNRVNUUEOBH-TUKIKUTGSA-N 0 3 386.543 0.638 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1)CN1CCN(C)CC1 ZINC000114141075 530262401 /nfs/dbraw/zinc/26/24/01/530262401.db2.gz JKUMWDJGFAWDBE-KBPBESRZSA-N 0 3 388.559 0.415 20 0 GCADHN CN1CCC(O)(CNC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000270833779 530264574 /nfs/dbraw/zinc/26/45/74/530264574.db2.gz SQZXCQPXYJJISY-UHFFFAOYSA-N 0 3 379.841 0.313 20 0 GCADHN COc1ccc(C(=O)NC[C@](C)(O)CN(C)C)nc1I ZINC000270819495 530264708 /nfs/dbraw/zinc/26/47/08/530264708.db2.gz IDRVIMBSYFYSAM-ZDUSSCGKSA-N 0 3 393.225 0.737 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1)S(C)(=O)=O ZINC000270875255 530265362 /nfs/dbraw/zinc/26/53/62/530265362.db2.gz NPBNHOAAVCLUIW-SKDRFNHKSA-N 0 3 389.271 0.882 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000583355183 530266522 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ZINC000564409674 530270579 /nfs/dbraw/zinc/27/05/79/530270579.db2.gz KCDMPZFFTHNLIG-UHFFFAOYSA-N 0 3 382.515 0.768 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCN(C)Cc1ccccc1 ZINC000274382977 530295709 /nfs/dbraw/zinc/29/57/09/530295709.db2.gz SYEPWWUZWBKDBK-UHFFFAOYSA-N 0 3 391.559 0.709 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000562872935 530296474 /nfs/dbraw/zinc/29/64/74/530296474.db2.gz LWDSWHMPUZUHRJ-VXGBXAGGSA-N 0 3 388.456 0.982 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000274430454 530296485 /nfs/dbraw/zinc/29/64/85/530296485.db2.gz JTMVFCQQISCKHC-UHFFFAOYSA-N 0 3 391.877 0.112 20 0 GCADHN CCN(CCO)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000274592146 530298393 /nfs/dbraw/zinc/29/83/93/530298393.db2.gz VIJLNYPYXPSAGR-UHFFFAOYSA-N 0 3 377.894 0.634 20 0 GCADHN CN(C)CCn1cc(NC(=O)c2nc3ncc(Br)cn3n2)cn1 ZINC000061634901 530299055 /nfs/dbraw/zinc/29/90/55/530299055.db2.gz KDCYEVQOTVFZLD-UHFFFAOYSA-N 0 3 379.222 0.897 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CCSC1 ZINC000332816860 530330384 /nfs/dbraw/zinc/33/03/84/530330384.db2.gz JOWWMJCDWINRTE-UKRRQHHQSA-N 0 3 378.564 0.489 20 0 GCADHN Cc1[nH]c(=O)c(Br)cc1C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618308801 530300410 /nfs/dbraw/zinc/30/04/10/530300410.db2.gz VVRVORLLSLLSOG-UHFFFAOYSA-N 0 3 387.278 0.950 20 0 GCADHN CS(=O)(=O)c1cc(C(=O)N2CCO[C@H](CN)C2)ccc1Br ZINC000274809895 530300534 /nfs/dbraw/zinc/30/05/34/530300534.db2.gz QQAXJPOUACBLNZ-SNVBAGLBSA-N 0 3 377.260 0.652 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CCSC1 ZINC000332816994 530330524 /nfs/dbraw/zinc/33/05/24/530330524.db2.gz KJEFVGKBDURSTF-GOEBONIOSA-N 0 3 392.591 0.737 20 0 GCADHN CSC[C@@H](O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000275035762 530304730 /nfs/dbraw/zinc/30/47/30/530304730.db2.gz AXXQKWBJRVKKRD-AWEZNQCLSA-N 0 3 387.527 0.708 20 0 GCADHN O=C(NCCCCN1CCC[C@@H]1CO)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635710510 530305477 /nfs/dbraw/zinc/30/54/77/530305477.db2.gz LYTYAUAVLCRBIK-AGIUHOORSA-N 0 3 386.436 0.563 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCC1 ZINC000275425195 530311593 /nfs/dbraw/zinc/31/15/93/530311593.db2.gz DGSPHICWQCKYFP-UHFFFAOYSA-N 0 3 375.516 0.700 20 0 GCADHN CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H]([NH3+])C1 ZINC000569811641 530311693 /nfs/dbraw/zinc/31/16/93/530311693.db2.gz NDZFBVFRPQHFHJ-WCQYABFASA-N 0 3 375.491 0.785 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000151839766 530312646 /nfs/dbraw/zinc/31/26/46/530312646.db2.gz VNYPIFZXFGDOEY-UHFFFAOYSA-N 0 3 385.515 0.350 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000275617775 530313564 /nfs/dbraw/zinc/31/35/64/530313564.db2.gz URHJTPWTVKHREN-CYBMUJFWSA-N 0 3 387.527 0.700 20 0 GCADHN C[NH2+]CCCNC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000570163049 530316174 /nfs/dbraw/zinc/31/61/74/530316174.db2.gz ZYSWPUMVLVLROQ-CYBMUJFWSA-N 0 3 377.507 0.951 20 0 GCADHN COCCNCCNC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000570681883 530322921 /nfs/dbraw/zinc/32/29/21/530322921.db2.gz VCFVXQYFXDVJBR-JTQLQIEISA-N 0 3 398.257 0.786 20 0 GCADHN CC(C)NCC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000589031454 530323392 /nfs/dbraw/zinc/32/33/92/530323392.db2.gz BXNIJGBGAHCJTP-UHFFFAOYSA-N 0 3 383.499 0.522 20 0 GCADHN CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000570727653 530323825 /nfs/dbraw/zinc/32/38/25/530323825.db2.gz SDADBTRCIPFWTH-ZDUSSCGKSA-N 0 3 375.516 0.134 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000462411126 530331482 /nfs/dbraw/zinc/33/14/82/530331482.db2.gz QADIZHBHHROFBB-OAHLLOKOSA-N 0 3 391.490 0.961 20 0 GCADHN COCCN(C)C[C@H](O)CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000570890743 530327496 /nfs/dbraw/zinc/32/74/96/530327496.db2.gz CGIJQDVWICZOPS-HNNXBMFYSA-N 0 3 391.559 0.430 20 0 GCADHN CN(C)CCN(C)CCCN(C)C(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC000461361088 530355792 /nfs/dbraw/zinc/35/57/92/530355792.db2.gz NBSXPOFXURNXTP-UHFFFAOYSA-N 0 3 376.567 0.869 20 0 GCADHN COc1cccc(OC)c1OC[C@@H](O)CNCC(C)(C)NS(C)(=O)=O ZINC000644557384 530358557 /nfs/dbraw/zinc/35/85/57/530358557.db2.gz RIYFCCVPWLEPLR-LBPRGKRZSA-N 0 3 376.475 0.361 20 0 GCADHN CO[C@H](C)CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000644538260 530358615 /nfs/dbraw/zinc/35/86/15/530358615.db2.gz GAUBONRSPVAPRR-CYBMUJFWSA-N 0 3 378.516 0.725 20 0 GCADHN COc1nc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ncc1Br ZINC000176139979 530359386 /nfs/dbraw/zinc/35/93/86/530359386.db2.gz PGZJWTHBZCTHBN-LBPRGKRZSA-N 0 3 384.278 0.991 20 0 GCADHN CN(CCCN1CCCC1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000281496766 530359938 /nfs/dbraw/zinc/35/99/38/530359938.db2.gz KMRQWCQXNPHJQI-UHFFFAOYSA-N 0 3 389.543 0.712 20 0 GCADHN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000176297683 530360113 /nfs/dbraw/zinc/36/01/13/530360113.db2.gz SWJCVGWAXSEZAB-MNOVXSKESA-N 0 3 385.262 0.384 20 0 GCADHN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000176297683 530360115 /nfs/dbraw/zinc/36/01/15/530360115.db2.gz SWJCVGWAXSEZAB-MNOVXSKESA-N 0 3 385.262 0.384 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000282264917 530369302 /nfs/dbraw/zinc/36/93/02/530369302.db2.gz UEAIFEJPFCPRFS-OLZOCXBDSA-N 0 3 375.516 0.555 20 0 GCADHN NS(=O)(=O)c1cc(C(=O)NC[C@@H](O)CN2CCCCC2)ccc1Cl ZINC000281721691 530362518 /nfs/dbraw/zinc/36/25/18/530362518.db2.gz XAMLRLKVTVWIIW-GFCCVEGCSA-N 0 3 375.878 0.564 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000282273164 530369344 /nfs/dbraw/zinc/36/93/44/530369344.db2.gz UQVLEJAFNMSIPF-UHFFFAOYSA-N 0 3 375.516 0.557 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(Br)nc2)CC1(C)C ZINC000281887515 530363983 /nfs/dbraw/zinc/36/39/83/530363983.db2.gz IBOUHLALMWAEPH-UHFFFAOYSA-N 0 3 398.305 0.925 20 0 GCADHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000179729415 530367593 /nfs/dbraw/zinc/36/75/93/530367593.db2.gz HFYLPGCEOCDXPN-JTQLQIEISA-N 0 3 387.278 0.933 20 0 GCADHN C[C@H]1NCCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)[C@@H]1C ZINC000277436504 530332213 /nfs/dbraw/zinc/33/22/13/530332213.db2.gz CZIUUSXKYMWJDJ-RKDXNWHRSA-N 0 3 376.276 0.919 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CN[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000580058575 530332475 /nfs/dbraw/zinc/33/24/75/530332475.db2.gz PKTFJHYKEVBLFL-RBSFLKMASA-N 0 3 381.564 0.593 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCC1(CO)CCC1 ZINC000647523460 530332698 /nfs/dbraw/zinc/33/26/98/530332698.db2.gz PVZSDUWGXCQACI-UHFFFAOYSA-N 0 3 390.527 0.463 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)C[C@H](C)[NH3+])s1 ZINC000580073819 530332834 /nfs/dbraw/zinc/33/28/34/530332834.db2.gz VOMILEFKNOCRRP-WDEREUQCSA-N 0 3 383.561 0.634 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@H]1CC[C@@H](O)C1 ZINC000647529022 530333322 /nfs/dbraw/zinc/33/33/22/530333322.db2.gz ULGDRGKEVQFONG-UONOGXRCSA-N 0 3 390.527 0.461 20 0 GCADHN O=C(CN1CCNCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000637885148 530338768 /nfs/dbraw/zinc/33/87/68/530338768.db2.gz BXBQFALTPXYVQR-UHFFFAOYSA-N 0 3 386.905 0.078 20 0 GCADHN Cc1cc(CNC(=O)NC[C@@]2(N(C)C)CCSC2)ccc1S(N)(=O)=O ZINC000278287045 530339909 /nfs/dbraw/zinc/33/99/09/530339909.db2.gz QKPLZQWMWIVQGK-INIZCTEOSA-N 0 3 386.543 0.879 20 0 GCADHN Cc1cc(CNC(=O)NC[C@]2(N(C)C)CCSC2)ccc1S(N)(=O)=O ZINC000278287051 530339958 /nfs/dbraw/zinc/33/99/58/530339958.db2.gz QKPLZQWMWIVQGK-MRXNPFEDSA-N 0 3 386.543 0.879 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000278754879 530343301 /nfs/dbraw/zinc/34/33/01/530343301.db2.gz KHHZWSRVSWNFOJ-UHFFFAOYSA-N 0 3 393.506 0.145 20 0 GCADHN CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000637927442 530345880 /nfs/dbraw/zinc/34/58/80/530345880.db2.gz OQEGGDLLOBOYDQ-XJKSGUPXSA-N 0 3 387.527 0.784 20 0 GCADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cc(I)c[nH]1 ZINC000518767797 530350028 /nfs/dbraw/zinc/35/00/28/530350028.db2.gz ZKEXABCQTYHWGZ-UHFFFAOYSA-N 0 3 387.185 0.399 20 0 GCADHN CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000173795212 530353035 /nfs/dbraw/zinc/35/30/35/530353035.db2.gz SMGLSIIHROYYJC-LLVKDONJSA-N 0 3 387.278 0.489 20 0 GCADHN CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000173795212 530353036 /nfs/dbraw/zinc/35/30/36/530353036.db2.gz SMGLSIIHROYYJC-LLVKDONJSA-N 0 3 387.278 0.489 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184065488 530375049 /nfs/dbraw/zinc/37/50/49/530375049.db2.gz BYWPLFDIPOZYQU-UONOGXRCSA-N 0 3 388.559 0.557 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000184065544 530375141 /nfs/dbraw/zinc/37/51/41/530375141.db2.gz BYWPLFDIPOZYQU-KGLIPLIRSA-N 0 3 388.559 0.557 20 0 GCADHN COC(=O)C1CCN(CCCNS(=O)(=O)CCCN2CCCC2)CC1 ZINC000601306600 530376595 /nfs/dbraw/zinc/37/65/95/530376595.db2.gz MRLIJMBFLUFQBP-UHFFFAOYSA-N 0 3 375.535 0.667 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000283089235 530376888 /nfs/dbraw/zinc/37/68/88/530376888.db2.gz QKPUBUQLHFYIFB-JTQLQIEISA-N 0 3 375.834 0.242 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000185598589 530377319 /nfs/dbraw/zinc/37/73/19/530377319.db2.gz VXJPMXCOXZGOIP-UHFFFAOYSA-N 0 3 376.226 0.957 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@H](CN(C)C)C1 ZINC000283353372 530378878 /nfs/dbraw/zinc/37/88/78/530378878.db2.gz ZHGGSHMNHAVZCX-GFCCVEGCSA-N 0 3 376.500 0.671 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3csnc3-c3ccccc3)CCN2C1=O ZINC000601342695 530379029 /nfs/dbraw/zinc/37/90/29/530379029.db2.gz GGKRRIBZUPDUAM-QWHCGFSZSA-N 0 3 378.479 0.743 20 0 GCADHN CN(C)C[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccc(Cl)cc1 ZINC000283379080 530379131 /nfs/dbraw/zinc/37/91/31/530379131.db2.gz KYOMJPYRAXWPJL-AWEZNQCLSA-N 0 3 385.877 0.603 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000283358371 530379216 /nfs/dbraw/zinc/37/92/16/530379216.db2.gz QARJISFIVJXXMD-UHFFFAOYSA-N 0 3 375.466 0.726 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)c1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000283434578 530379704 /nfs/dbraw/zinc/37/97/04/530379704.db2.gz QCRHCUSOVLIDKY-WDEREUQCSA-N 0 3 380.513 0.649 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000364072185 530381115 /nfs/dbraw/zinc/38/11/15/530381115.db2.gz ZEKLBZKLAAWXNV-NEPJUHHUSA-N 0 3 387.889 0.841 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000187712118 530381345 /nfs/dbraw/zinc/38/13/45/530381345.db2.gz GIYHTXTUSKLLBZ-UHFFFAOYSA-N 0 3 385.262 0.639 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)c(OC)c1 ZINC000497352328 530381823 /nfs/dbraw/zinc/38/18/23/530381823.db2.gz KOCXDYSSQFMRFE-UHFFFAOYSA-N 0 3 391.515 0.816 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([NH2+]C)C2)c(OC)c1 ZINC000497352095 530381910 /nfs/dbraw/zinc/38/19/10/530381910.db2.gz HBQVDRYREAFEPF-GFCCVEGCSA-N 0 3 377.488 0.439 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(OC)c1 ZINC000497362516 530382156 /nfs/dbraw/zinc/38/21/56/530382156.db2.gz HTCPJGXNRNBVAY-WCQYABFASA-N 0 3 391.515 0.815 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(OC)c1 ZINC000497362511 530382182 /nfs/dbraw/zinc/38/21/82/530382182.db2.gz HTCPJGXNRNBVAY-AAEUAGOBSA-N 0 3 391.515 0.815 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H]([NH3+])C(C)C)s1 ZINC000497369178 530382767 /nfs/dbraw/zinc/38/27/67/530382767.db2.gz VCSLKBSINGQKKV-LBPRGKRZSA-N 0 3 383.561 0.492 20 0 GCADHN CS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000284040308 530383301 /nfs/dbraw/zinc/38/33/01/530383301.db2.gz MCEPVLQFRJJBTR-CYBMUJFWSA-N 0 3 387.527 0.237 20 0 GCADHN CSc1nnc(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)s1 ZINC000284154315 530384098 /nfs/dbraw/zinc/38/40/98/530384098.db2.gz RVVKEVZWJMJPNZ-CYBMUJFWSA-N 0 3 375.545 0.430 20 0 GCADHN CCN1CCN(CCCCNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC000500775984 530384271 /nfs/dbraw/zinc/38/42/71/530384271.db2.gz AJEKVOJMZPGVPY-HZPDHXFCSA-N 0 3 376.567 0.867 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)cn1)CN1CCN(C)CC1 ZINC000191084953 530387709 /nfs/dbraw/zinc/38/77/09/530387709.db2.gz PSBOXYDBAXJQAO-LBPRGKRZSA-N 0 3 398.305 0.782 20 0 GCADHN CCS(=O)(=O)N(C)CC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000364245857 530387979 /nfs/dbraw/zinc/38/79/79/530387979.db2.gz SAHJZSSUZKFMAT-GJZGRUSLSA-N 0 3 375.535 0.616 20 0 GCADHN CN(CCN1CCCC1)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000497708965 530388423 /nfs/dbraw/zinc/38/84/23/530388423.db2.gz PCPBPEVUWHZWFZ-HNNXBMFYSA-N 0 3 376.523 0.212 20 0 GCADHN COC(=O)c1ccc(N2CCN(S(=O)(=O)CCCN(C)C)CC2)s1 ZINC000601435003 530388637 /nfs/dbraw/zinc/38/86/37/530388637.db2.gz YKCQWDDSZJLRNS-UHFFFAOYSA-N 0 3 375.516 0.938 20 0 GCADHN NS(=O)(=O)CCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285060258 530389047 /nfs/dbraw/zinc/38/90/47/530389047.db2.gz IKULVVULLAQKHS-AWEZNQCLSA-N 0 3 375.441 0.939 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1F ZINC000364300327 530389834 /nfs/dbraw/zinc/38/98/34/530389834.db2.gz CHCIWUOTUVTVAO-LLVKDONJSA-N 0 3 395.478 0.324 20 0 GCADHN CN(C)CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000192911147 530391909 /nfs/dbraw/zinc/39/19/09/530391909.db2.gz KVSQYBCIERQFQG-UHFFFAOYSA-N 0 3 398.305 0.925 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000181446071 530371449 /nfs/dbraw/zinc/37/14/49/530371449.db2.gz VOJLLIHETXVDHU-UHFFFAOYSA-N 0 3 399.289 0.934 20 0 GCADHN COCCN(CCOC)S(=O)(=O)N(C)CCCN(C)Cc1ccco1 ZINC000285623286 530395779 /nfs/dbraw/zinc/39/57/79/530395779.db2.gz ZNZYIBBGHPJQPE-UHFFFAOYSA-N 0 3 377.507 0.873 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H](N)CCSC)c1 ZINC000497951662 530396069 /nfs/dbraw/zinc/39/60/69/530396069.db2.gz ASHGGRBZHNHWDU-MFKMUULPSA-N 0 3 388.515 0.118 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000590740026 530400413 /nfs/dbraw/zinc/40/04/13/530400413.db2.gz IFDKPXWTRNSHBP-NSHDSACASA-N 0 3 386.392 0.755 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](CN2CCCCC2)C1 ZINC000364762065 530401432 /nfs/dbraw/zinc/40/14/32/530401432.db2.gz XPPSJSOKAMDHJN-HNNXBMFYSA-N 0 3 381.564 0.406 20 0 GCADHN CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000616990549 530403925 /nfs/dbraw/zinc/40/39/25/530403925.db2.gz IWCAEDJHICJJFE-JTQLQIEISA-N 0 3 387.278 0.948 20 0 GCADHN CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000616990549 530403927 /nfs/dbraw/zinc/40/39/27/530403927.db2.gz IWCAEDJHICJJFE-JTQLQIEISA-N 0 3 387.278 0.948 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000591202931 530406811 /nfs/dbraw/zinc/40/68/11/530406811.db2.gz HMQSSRCOIMHDPO-UHFFFAOYSA-N 0 3 388.515 0.022 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000591286124 530407406 /nfs/dbraw/zinc/40/74/06/530407406.db2.gz QNSLELDOMOTHTQ-KBPBESRZSA-N 0 3 389.543 0.984 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1 ZINC000285459917 530394452 /nfs/dbraw/zinc/39/44/52/530394452.db2.gz ZFCMBJLODMSKBE-ZIAGYGMSSA-N 0 3 387.527 0.842 20 0 GCADHN CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)c1Br ZINC000287618489 530410305 /nfs/dbraw/zinc/41/03/05/530410305.db2.gz YQCYFFZETSJOMT-SECBINFHSA-N 0 3 385.262 0.814 20 0 GCADHN CN1CCN(C(=O)COc2ccc(I)cc2)[C@@H](CN)C1 ZINC000592308927 530415240 /nfs/dbraw/zinc/41/52/40/530415240.db2.gz JPGKQAZGSSOFDR-LBPRGKRZSA-N 0 3 389.237 0.771 20 0 GCADHN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000288225983 530415882 /nfs/dbraw/zinc/41/58/82/530415882.db2.gz DZUNQYHUHBIOSQ-GHMZBOCLSA-N 0 3 385.262 0.797 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN2CCCC[C@@H]2CCNS(C)(=O)=O)C[C@H](C)O1 ZINC000592390197 530416427 /nfs/dbraw/zinc/41/64/27/530416427.db2.gz WVHXTGXDALNVLQ-TWMKSMIVSA-N 0 3 377.551 0.250 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)NCCn1cc(Br)cn1 ZINC000288303604 530416611 /nfs/dbraw/zinc/41/66/11/530416611.db2.gz XGRGZYYLBHCQIX-UHFFFAOYSA-N 0 3 387.326 0.925 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592118151 530413984 /nfs/dbraw/zinc/41/39/84/530413984.db2.gz QXTNWZLNTMLZGO-OPRDCNLKSA-N 0 3 391.364 0.056 20 0 GCADHN CN(C)CCN(C)CCCNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000288683370 530420069 /nfs/dbraw/zinc/42/00/69/530420069.db2.gz URUMHATVQPDVOI-UHFFFAOYSA-N 0 3 377.532 0.252 20 0 GCADHN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCCN(C)CCN(C)C ZINC000288722056 530420666 /nfs/dbraw/zinc/42/06/66/530420666.db2.gz YXSJGAMXDQKWCK-UHFFFAOYSA-N 0 3 391.559 0.560 20 0 GCADHN CN(CCCNCc1cnn2cc(Br)cnc12)S(C)(=O)=O ZINC000638360104 530422670 /nfs/dbraw/zinc/42/26/70/530422670.db2.gz OMDWFHVLSFEDSL-UHFFFAOYSA-N 0 3 376.280 0.863 20 0 GCADHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000289638673 530426628 /nfs/dbraw/zinc/42/66/28/530426628.db2.gz SHXFEVVCTFJJGT-CQSZACIVSA-N 0 3 377.532 0.613 20 0 GCADHN C[C@@H](NC(=O)c1ccc(I)cn1)C(=O)NCCN(C)C ZINC000594359513 530427928 /nfs/dbraw/zinc/42/79/28/530427928.db2.gz MGLYVXPMUQALIM-SECBINFHSA-N 0 3 390.225 0.482 20 0 GCADHN O=C(CN1CCNCC1)NCc1ccc(Br)cc1N1CCOCC1 ZINC000638378652 530425378 /nfs/dbraw/zinc/42/53/78/530425378.db2.gz QQUCXXITOPTCSG-UHFFFAOYSA-N 0 3 397.317 0.807 20 0 GCADHN CN(C)CCN1CCN(S(=O)(=O)c2ncccc2C(F)(F)F)CC1=O ZINC000651794044 530425860 /nfs/dbraw/zinc/42/58/60/530425860.db2.gz ZRWRSOGNDZXDAN-UHFFFAOYSA-N 0 3 380.392 0.495 20 0 GCADHN CN(CCNC(=O)CNS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000290210537 530431182 /nfs/dbraw/zinc/43/11/82/530431182.db2.gz SBSRLNVJSQGWIC-UHFFFAOYSA-N 0 3 390.303 0.938 20 0 GCADHN CO[C@H](CN)C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000289931935 530428920 /nfs/dbraw/zinc/42/89/20/530428920.db2.gz KZZGEDVXLLFXFY-ZYHUDNBSSA-N 0 3 394.209 0.121 20 0 GCADHN CO[C@@H](CN)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000289931927 530429017 /nfs/dbraw/zinc/42/90/17/530429017.db2.gz KZZGEDVXLLFXFY-JQWIXIFHSA-N 0 3 394.209 0.121 20 0 GCADHN COCCCN(C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000290008373 530429190 /nfs/dbraw/zinc/42/91/90/530429190.db2.gz IZQXVWCWGMYNEU-UHFFFAOYSA-N 0 3 377.894 0.703 20 0 GCADHN Cc1cc(Br)sc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875907 530442733 /nfs/dbraw/zinc/44/27/33/530442733.db2.gz OOZHQLKEEWTXBK-IUCAKERBSA-N 0 3 394.316 0.752 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)CCN2C1=O ZINC000594879390 530442785 /nfs/dbraw/zinc/44/27/85/530442785.db2.gz NMGDLFUASHFMGC-ZYHUDNBSSA-N 0 3 396.241 0.604 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000594990710 530443531 /nfs/dbraw/zinc/44/35/31/530443531.db2.gz BBMRYOMOYDWEQH-CQSZACIVSA-N 0 3 376.548 0.149 20 0 GCADHN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595242313 530445161 /nfs/dbraw/zinc/44/51/61/530445161.db2.gz SJPIGMMKILAMHZ-NWDGAFQWSA-N 0 3 395.257 0.466 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N(C)Cc2ccccc2S(N)(=O)=O)CCSC1 ZINC000293030474 530451772 /nfs/dbraw/zinc/45/17/72/530451772.db2.gz NOLFWIBOFLSVKL-MRXNPFEDSA-N 0 3 386.543 0.913 20 0 GCADHN CN(C)[C@]1(CNC(=O)N(C)Cc2ccccc2S(N)(=O)=O)CCSC1 ZINC000293030472 530451936 /nfs/dbraw/zinc/45/19/36/530451936.db2.gz NOLFWIBOFLSVKL-INIZCTEOSA-N 0 3 386.543 0.913 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1cnn(C)c1I ZINC000293226763 530453133 /nfs/dbraw/zinc/45/31/33/530453133.db2.gz XXOCYPRFPWCCLU-UHFFFAOYSA-N 0 3 380.230 0.675 20 0 GCADHN O=S1(=O)CC[C@](O)(CNCc2ccc(I)cc2)C1 ZINC000294878851 530460511 /nfs/dbraw/zinc/46/05/11/530460511.db2.gz VIQSZQODOPHQHQ-LBPRGKRZSA-N 0 3 381.235 0.930 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000295132885 530461280 /nfs/dbraw/zinc/46/12/80/530461280.db2.gz COQCXPLSZVVYBY-LURJTMIESA-N 0 3 391.203 0.999 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000295132887 530461416 /nfs/dbraw/zinc/46/14/16/530461416.db2.gz COQCXPLSZVVYBY-ZCFIWIBFSA-N 0 3 391.203 0.999 20 0 GCADHN CCS(=O)(=O)NCCCN(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295281829 530462443 /nfs/dbraw/zinc/46/24/43/530462443.db2.gz SSKBQLGXRSOUIB-UHFFFAOYSA-N 0 3 392.547 0.031 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1 ZINC000298324168 530479885 /nfs/dbraw/zinc/47/98/85/530479885.db2.gz PGBVZOOFFQZNHD-UHFFFAOYSA-N 0 3 389.543 0.995 20 0 GCADHN COc1ccc(C)cc1CS(=O)(=O)C(C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000298397393 530480831 /nfs/dbraw/zinc/48/08/31/530480831.db2.gz VIOATGKVKUVFMJ-OCCSQVGLSA-N 0 3 389.495 0.610 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nc2ccccc2s1 ZINC000298686989 530482545 /nfs/dbraw/zinc/48/25/45/530482545.db2.gz LYOYZHDDPPEOFJ-UWVGGRQHSA-N 0 3 388.492 0.762 20 0 GCADHN CC(C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000298772478 530483307 /nfs/dbraw/zinc/48/33/07/530483307.db2.gz TYUQLVHRJNXTFO-LLVKDONJSA-N 0 3 392.474 0.528 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1 ZINC000298818191 530483679 /nfs/dbraw/zinc/48/36/79/530483679.db2.gz NPLPZFKVHNJACS-UHFFFAOYSA-N 0 3 387.527 0.747 20 0 GCADHN CC[C@@H](N)C(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000602586287 530484450 /nfs/dbraw/zinc/48/44/50/530484450.db2.gz PDNKVCCMSDAMMP-SNVBAGLBSA-N 0 3 375.214 0.467 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCN1C ZINC000408223086 530484812 /nfs/dbraw/zinc/48/48/12/530484812.db2.gz CRFDTRXALQCCFO-STQMWFEESA-N 0 3 387.527 0.982 20 0 GCADHN CCOC[C@H]1CN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)CCO1 ZINC000599450099 530473060 /nfs/dbraw/zinc/47/30/60/530473060.db2.gz MMOLSPBYICDGAW-MNOVXSKESA-N 0 3 377.381 0.938 20 0 GCADHN CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000298181211 530478486 /nfs/dbraw/zinc/47/84/86/530478486.db2.gz CXOVSDATNXOFGJ-UHFFFAOYSA-N 0 3 387.527 0.983 20 0 GCADHN CN(CC(=O)NCc1cc(F)cc(F)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000121345214 530497030 /nfs/dbraw/zinc/49/70/30/530497030.db2.gz BXHKIVIGWJJPHI-UHFFFAOYSA-N 0 3 375.441 0.937 20 0 GCADHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000608037926 530497520 /nfs/dbraw/zinc/49/75/20/530497520.db2.gz CHPCIDPARJFASU-CYBMUJFWSA-N 0 3 375.516 0.829 20 0 GCADHN O=C(CN1CCCS1(=O)=O)NCC1(N2CCSCC2)CCCCC1 ZINC000365237352 530497962 /nfs/dbraw/zinc/49/79/62/530497962.db2.gz BDRJXLLWQYKXBQ-UHFFFAOYSA-N 0 3 375.560 0.890 20 0 GCADHN CCOC(=O)C1CCC(O)(CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000365252880 530498938 /nfs/dbraw/zinc/49/89/38/530498938.db2.gz CPMLVHNLKDUMJJ-ISXOHVOVSA-N 0 3 376.519 0.873 20 0 GCADHN CC(C)(CNC(=O)N1CCN(CC2CCOCC2)CC1)NS(C)(=O)=O ZINC000605974633 530485428 /nfs/dbraw/zinc/48/54/28/530485428.db2.gz BMZMQYVIORZSBF-UHFFFAOYSA-N 0 3 376.523 0.068 20 0 GCADHN COC(=O)CNC(=O)CCN1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602880060 530485750 /nfs/dbraw/zinc/48/57/50/530485750.db2.gz DDBCHMKIUKAERD-GFCCVEGCSA-N 0 3 386.246 0.977 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)c1nn(C)cc1I ZINC000603011045 530486791 /nfs/dbraw/zinc/48/67/91/530486791.db2.gz QMNILXVPIVXJRS-LBPRGKRZSA-N 0 3 380.230 0.457 20 0 GCADHN CCN1CCN(CCNC(=O)c2nn(C)cc2I)CC1 ZINC000603031304 530487436 /nfs/dbraw/zinc/48/74/36/530487436.db2.gz YBZKVLFNOXYCCT-UHFFFAOYSA-N 0 3 391.257 0.392 20 0 GCADHN COCCN1CCC(NC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000299233723 530488379 /nfs/dbraw/zinc/48/83/79/530488379.db2.gz IUWBDYHCDVTHDJ-UHFFFAOYSA-N 0 3 375.516 0.644 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)[N-]CCCN2CCC[N@H+](C)CC2)c1 ZINC000603403947 530489660 /nfs/dbraw/zinc/48/96/60/530489660.db2.gz QQUWMFBNCKVTGO-UHFFFAOYSA-N 0 3 375.516 0.841 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)[N-]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000603403947 530489662 /nfs/dbraw/zinc/48/96/62/530489662.db2.gz QQUWMFBNCKVTGO-UHFFFAOYSA-N 0 3 375.516 0.841 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NCCCN2CCCCC2)c1 ZINC000299443807 530490619 /nfs/dbraw/zinc/49/06/19/530490619.db2.gz JTQKMLCHYKUZKX-UHFFFAOYSA-N 0 3 375.516 0.749 20 0 GCADHN CN(CCS(=O)(=O)NC[C@@H]1CCN(C)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000583488930 530494308 /nfs/dbraw/zinc/49/43/08/530494308.db2.gz WJQICMVHMRMXKP-ZDUSSCGKSA-N 0 3 393.506 0.317 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000534514192 530494502 /nfs/dbraw/zinc/49/45/02/530494502.db2.gz BPTJAYDSJUSKPR-UHFFFAOYSA-N 0 3 384.278 0.536 20 0 GCADHN CCN(CCCNC(=O)N1CCC(OCCN(C)C)CC1)S(C)(=O)=O ZINC000604178050 530494585 /nfs/dbraw/zinc/49/45/85/530494585.db2.gz GRMYRMMWXBCMSX-UHFFFAOYSA-N 0 3 378.539 0.410 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)C(=O)NCC(F)(F)CN)cc1Cl ZINC000415617621 530503453 /nfs/dbraw/zinc/50/34/53/530503453.db2.gz VLHFSZHXSBAAAJ-UHFFFAOYSA-N 0 3 378.807 0.929 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)NC[C@@H](N)c1ccccc1)C(F)(F)F ZINC000415729910 530504172 /nfs/dbraw/zinc/50/41/72/530504172.db2.gz UZSGFKUAMWIPGO-VXGBXAGGSA-N 0 3 382.408 0.808 20 0 GCADHN CN(C(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl)C1CNC1 ZINC000415749057 530504563 /nfs/dbraw/zinc/50/45/63/530504563.db2.gz YTKIDAOEJIBNNV-UHFFFAOYSA-N 0 3 386.861 0.249 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)N(C)C2CNC2)cc(Br)c1F ZINC000415748087 530504567 /nfs/dbraw/zinc/50/45/67/530504567.db2.gz WWKHYEHMFIBJPC-UHFFFAOYSA-N 0 3 388.193 0.744 20 0 GCADHN COC(=O)c1c(Br)ccc(NC(=O)C(=O)N(C)C2CNC2)c1C ZINC000415747079 530504591 /nfs/dbraw/zinc/50/45/91/530504591.db2.gz ULXUCMUIWJOKIP-UHFFFAOYSA-N 0 3 384.230 0.913 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000440812123 530505606 /nfs/dbraw/zinc/50/56/06/530505606.db2.gz UQOVHNAICFXDKC-GFCCVEGCSA-N 0 3 391.515 0.877 20 0 GCADHN COCCNCCNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000440828896 530505717 /nfs/dbraw/zinc/50/57/17/530505717.db2.gz VJWAUULMPHIZAI-UHFFFAOYSA-N 0 3 384.907 0.399 20 0 GCADHN C[NH+](C)C1(CNC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000416303287 530506561 /nfs/dbraw/zinc/50/65/61/530506561.db2.gz QWTBREPSYDBQTQ-UHFFFAOYSA-N 0 3 396.332 0.999 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCN1C ZINC000525809919 530508103 /nfs/dbraw/zinc/50/81/03/530508103.db2.gz IXGPRKDZAMMPCJ-KFWWJZLASA-N 0 3 376.523 0.257 20 0 GCADHN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000416422130 530508409 /nfs/dbraw/zinc/50/84/09/530508409.db2.gz IZLFBDGYNJBEGZ-SNVBAGLBSA-N 0 3 375.422 0.895 20 0 GCADHN CN1C[C@@H]2CCCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)[C@@H]2C1 ZINC000644869247 530510805 /nfs/dbraw/zinc/51/08/05/530510805.db2.gz YWRYSXZABIVUEE-GOEBONIOSA-N 0 3 387.527 0.321 20 0 GCADHN CN1CCC[C@H](N2CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000365326356 530501876 /nfs/dbraw/zinc/50/18/76/530501876.db2.gz KNNRJYSHWQDJLS-GJZGRUSLSA-N 0 3 375.560 0.145 20 0 GCADHN CN1CCC[C@@H](N2CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000365326349 530501924 /nfs/dbraw/zinc/50/19/24/530501924.db2.gz KNNRJYSHWQDJLS-CABCVRRESA-N 0 3 375.560 0.145 20 0 GCADHN NCCNC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000415277913 530502447 /nfs/dbraw/zinc/50/24/47/530502447.db2.gz ZAOKCYUBHGYNNX-UHFFFAOYSA-N 0 3 385.140 0.799 20 0 GCADHN COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)CC1 ZINC000408320890 530502616 /nfs/dbraw/zinc/50/26/16/530502616.db2.gz MMCCLTCJWGACIC-LSDHHAIUSA-N 0 3 391.559 0.628 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)Cc3ccc(Br)cc3)CCN2C1=O ZINC000518797546 530502656 /nfs/dbraw/zinc/50/26/56/530502656.db2.gz XKMOROKQEVPCSQ-QWHCGFSZSA-N 0 3 388.287 0.523 20 0 GCADHN COCCNCCNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000415539829 530503091 /nfs/dbraw/zinc/50/30/91/530503091.db2.gz MXYNKMGPMGRRJK-UHFFFAOYSA-N 0 3 388.237 0.830 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC[C@H]2CCCN(C)C2)c1 ZINC000416559410 530512733 /nfs/dbraw/zinc/51/27/33/530512733.db2.gz JVGMBOXUNMIZCK-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCCN(C)C2)cc1 ZINC000416569934 530513220 /nfs/dbraw/zinc/51/32/20/530513220.db2.gz ZFNUCMBLAAOSMV-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN CSc1nnc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000525840621 530514147 /nfs/dbraw/zinc/51/41/47/530514147.db2.gz YJEKNVKEUXDSJV-UHFFFAOYSA-N 0 3 384.531 0.710 20 0 GCADHN Cc1nc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)sc1Br ZINC000572663856 530515417 /nfs/dbraw/zinc/51/54/17/530515417.db2.gz YLYAMDRAILSROZ-IUCAKERBSA-N 0 3 388.291 0.667 20 0 GCADHN O=C(NCc1cn2cc(Br)ccc2n1)N1CCOC2(CNC2)C1 ZINC000417229597 530515953 /nfs/dbraw/zinc/51/59/53/530515953.db2.gz XWPQRDQQWZLZOY-UHFFFAOYSA-N 0 3 380.246 0.981 20 0 GCADHN CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)cc1Cl ZINC000123106552 530516439 /nfs/dbraw/zinc/51/64/39/530516439.db2.gz GJBXDORJQUZCJB-UHFFFAOYSA-N 0 3 378.857 0.621 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000046948599 530516515 /nfs/dbraw/zinc/51/65/15/530516515.db2.gz DKMZVCBJJLLKQK-CYBMUJFWSA-N 0 3 385.306 0.753 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000366315638 530518858 /nfs/dbraw/zinc/51/88/58/530518858.db2.gz RUZNNDUAOKREQV-SMDDNHRTSA-N 0 3 391.490 0.960 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(Br)c1 ZINC000366326286 530519201 /nfs/dbraw/zinc/51/92/01/530519201.db2.gz XQJGGUSRXCOFJF-GDGBQDQQSA-N 0 3 395.300 0.349 20 0 GCADHN C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)[C@@H](C)CN1 ZINC000237642069 530519872 /nfs/dbraw/zinc/51/98/72/530519872.db2.gz YJYKXTDQVWXTJV-IUCAKERBSA-N 0 3 376.276 0.919 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)C(F)(F)F ZINC000366381612 530520504 /nfs/dbraw/zinc/52/05/04/530520504.db2.gz VZMPSAXRXSXRIS-WCQYABFASA-N 0 3 386.440 0.546 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366464678 530520976 /nfs/dbraw/zinc/52/09/76/530520976.db2.gz VOLOQIGJPUNNDH-QISWUMQESA-N 0 3 377.388 0.706 20 0 GCADHN CC(C(=O)NCc1n[nH]cc1Br)S(=O)(=O)C1CCOCC1 ZINC000531693819 530521812 /nfs/dbraw/zinc/52/18/12/530521812.db2.gz XBBYRDSSQKUBDJ-MRVPVSSYSA-N 0 3 380.264 0.771 20 0 GCADHN CCO[C@@H]1C[C@](CO)(NC(=O)C(C)S(=O)(=O)C2CCOCC2)C1(C)C ZINC000444566473 530546311 /nfs/dbraw/zinc/54/63/11/530546311.db2.gz FRSRCEPQZALURT-DXCKQFNASA-N 0 3 377.503 0.651 20 0 GCADHN CCO[C@@H]1C[C@@](CO)(NC(=O)C(C)S(=O)(=O)C2CCOCC2)C1(C)C ZINC000444566481 530546396 /nfs/dbraw/zinc/54/63/96/530546396.db2.gz FRSRCEPQZALURT-QEORTHHSSA-N 0 3 377.503 0.651 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CCN1C ZINC000444655894 530546821 /nfs/dbraw/zinc/54/68/21/530546821.db2.gz BRWDCBLDFHSEFX-MWLCHTKSSA-N 0 3 385.262 0.685 20 0 GCADHN COCC[C@H](C)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000567682184 530546986 /nfs/dbraw/zinc/54/69/86/530546986.db2.gz JLDMRMYSPDKFLI-ZDUSSCGKSA-N 0 3 378.516 0.725 20 0 GCADHN O=S(=O)(Cc1ccon1)NCCNC[C@@H](O)COc1ccccc1Cl ZINC000567682908 530547006 /nfs/dbraw/zinc/54/70/06/530547006.db2.gz BPPCNYOSTVVFFP-CYBMUJFWSA-N 0 3 389.861 0.777 20 0 GCADHN CCC[C@]1(CO)CCCN1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000444769398 530547737 /nfs/dbraw/zinc/54/77/37/530547737.db2.gz AXCAYVPNALOZLY-QGZVFWFLSA-N 0 3 377.551 0.790 20 0 GCADHN Cc1c(C(=O)NC[C@H]2CNCCO2)cc(Br)cc1S(N)(=O)=O ZINC000567847268 530548602 /nfs/dbraw/zinc/54/86/02/530548602.db2.gz GFIQNQSMWPPQNN-SNVBAGLBSA-N 0 3 392.275 0.123 20 0 GCADHN CC(C)O[C@@H]1C[C@@H](NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000567861524 530549443 /nfs/dbraw/zinc/54/94/43/530549443.db2.gz YTXOTDIWQSBGBR-YNEHKIRRSA-N 0 3 375.491 0.181 20 0 GCADHN NC(=O)NC(=O)CCNCCOc1ccc(I)cc1 ZINC000567892866 530549884 /nfs/dbraw/zinc/54/98/84/530549884.db2.gz QIYSTAGVVQPKCJ-UHFFFAOYSA-N 0 3 377.182 0.845 20 0 GCADHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000534339050 530523750 /nfs/dbraw/zinc/52/37/50/530523750.db2.gz KZDYZABACJFYHK-ZNMIVQPWSA-N 0 3 375.535 0.856 20 0 GCADHN CC[NH2+]CCNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000567882386 530549939 /nfs/dbraw/zinc/54/99/39/530549939.db2.gz WQNIKRPBSMUTIS-ZDUSSCGKSA-N 0 3 377.507 0.951 20 0 GCADHN C[C@H](NC(=O)c1c(Cl)cccc1S(C)(=O)=O)C(=O)NCCN(C)C ZINC000563403661 530525002 /nfs/dbraw/zinc/52/50/02/530525002.db2.gz MLGHVMBSKPKZJW-JTQLQIEISA-N 0 3 375.878 0.540 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC(C)(C)CCC[NH3+])s1 ZINC000567914734 530549998 /nfs/dbraw/zinc/54/99/98/530549998.db2.gz KRIKHIFTRQSOSW-UHFFFAOYSA-N 0 3 390.531 0.296 20 0 GCADHN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1I ZINC000563442719 530526336 /nfs/dbraw/zinc/52/63/36/530526336.db2.gz SGXLWLFNZONPFM-WCQYABFASA-N 0 3 399.232 0.984 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C[C@@H]1O ZINC000563572267 530527032 /nfs/dbraw/zinc/52/70/32/530527032.db2.gz OPGYOEGZOHQFAH-CQDKDKBSSA-N 0 3 396.285 0.935 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)[C@@H](CN)C1 ZINC000563620334 530527170 /nfs/dbraw/zinc/52/71/70/530527170.db2.gz WJHGJIJABPSLII-NSHDSACASA-N 0 3 387.253 0.306 20 0 GCADHN NS(=O)(=O)[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000408441429 530527693 /nfs/dbraw/zinc/52/76/93/530527693.db2.gz DURNPTGJGQBDAI-ZDUSSCGKSA-N 0 3 376.548 0.420 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000571162787 530528359 /nfs/dbraw/zinc/52/83/59/530528359.db2.gz LTZCVIOFIOLQOA-NHYWBVRUSA-N 0 3 375.853 0.873 20 0 GCADHN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCCOCCN(C)C)c1 ZINC000471645851 530529733 /nfs/dbraw/zinc/52/97/33/530529733.db2.gz IZNNOJQEIRKDHO-UHFFFAOYSA-N 0 3 378.516 0.563 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)CCN2C1=O ZINC000566495952 530531369 /nfs/dbraw/zinc/53/13/69/530531369.db2.gz MNRDQCNHVFTENV-KWQFWETISA-N 0 3 395.815 0.874 20 0 GCADHN Cc1ccc(Br)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000566496296 530531390 /nfs/dbraw/zinc/53/13/90/530531390.db2.gz QRIWXDKZKGXSJW-PWSUYJOCSA-N 0 3 388.287 0.690 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(CC(F)(F)F)cc3)CCN2C1=O ZINC000566497364 530531539 /nfs/dbraw/zinc/53/15/39/530531539.db2.gz ZBAQMZOLIYAEMT-YPMHNXCESA-N 0 3 377.388 0.724 20 0 GCADHN C[C@](N)(C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000566497019 530531622 /nfs/dbraw/zinc/53/16/22/530531622.db2.gz WMSBYQAQGPSIQV-DVOMOZLQSA-N 0 3 381.274 0.393 20 0 GCADHN CN(CC(=O)N1CCN(C)C[C@H]1CN)C(=O)c1ccc(Br)s1 ZINC000566618865 530532532 /nfs/dbraw/zinc/53/25/32/530532532.db2.gz LJYCSYDDJABNFJ-SNVBAGLBSA-N 0 3 389.319 0.684 20 0 GCADHN C[C@@H](NC(=O)CNC(=O)c1cccc(Br)c1)C(=O)NCCN(C)C ZINC000572506548 530550415 /nfs/dbraw/zinc/55/04/15/530550415.db2.gz BRUWKCCNJRSSMW-LLVKDONJSA-N 0 3 399.289 0.361 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566915926 530535267 /nfs/dbraw/zinc/53/52/67/530535267.db2.gz QDQCQHHEWFLPNE-OLZOCXBDSA-N 0 3 375.516 0.733 20 0 GCADHN COC(=O)CCN(C)S(=O)(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000443502717 530536018 /nfs/dbraw/zinc/53/60/18/530536018.db2.gz SOTPNFHJIWFLJB-HUUCEWRRSA-N 0 3 377.507 0.084 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)NCCN1CCCCCC1)C(F)(F)F ZINC000566932293 530536321 /nfs/dbraw/zinc/53/63/21/530536321.db2.gz UPRYTVDVCKGAHC-GFCCVEGCSA-N 0 3 388.456 0.984 20 0 GCADHN O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC[C@@H]1CNCCO1 ZINC000567041522 530536776 /nfs/dbraw/zinc/53/67/76/530536776.db2.gz KTIPBNANKIVPLO-JTQLQIEISA-N 0 3 382.214 0.150 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3Br)CCN2C1=O ZINC000566984999 530536841 /nfs/dbraw/zinc/53/68/41/530536841.db2.gz ZEVXGTVPXYTFSM-MWLCHTKSSA-N 0 3 392.250 0.521 20 0 GCADHN COCCNCCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000567049822 530537008 /nfs/dbraw/zinc/53/70/08/530537008.db2.gz WCBQBNOKUFQRNY-UHFFFAOYSA-N 0 3 394.291 0.080 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000443770937 530538527 /nfs/dbraw/zinc/53/85/27/530538527.db2.gz JXDWPFNVPQVISY-JTQLQIEISA-N 0 3 375.882 0.183 20 0 GCADHN N[C@@H]1C[C@H]2CN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)CCN2C1=O ZINC000567249941 530540170 /nfs/dbraw/zinc/54/01/70/530540170.db2.gz ZPOWUMSZVMQIJV-GZMMTYOYSA-N 0 3 378.376 0.101 20 0 GCADHN CCOC(=O)C1CCC(O)(CN2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000331185520 530541072 /nfs/dbraw/zinc/54/10/72/530541072.db2.gz NEYBWJXWTDGDAH-UHFFFAOYSA-N 0 3 376.519 0.827 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000331210692 530541909 /nfs/dbraw/zinc/54/19/09/530541909.db2.gz XXMHUPUUPULUPH-AWEZNQCLSA-N 0 3 375.516 0.451 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)cc1)NCC1CCN(CCO)CC1 ZINC000155330603 530542820 /nfs/dbraw/zinc/54/28/20/530542820.db2.gz IZTHCIUKYSDTIT-UHFFFAOYSA-N 0 3 398.301 0.999 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccs1)N[C@@H](CO)CN1CCCCC1 ZINC000567450404 530543154 /nfs/dbraw/zinc/54/31/54/530543154.db2.gz CHSCKNNTNAIPTM-CYBMUJFWSA-N 0 3 375.516 0.380 20 0 GCADHN CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)NC2CNC2)cc1Cl ZINC000567470528 530543196 /nfs/dbraw/zinc/54/31/96/530543196.db2.gz DPERMFRGXJEGJS-UHFFFAOYSA-N 0 3 382.269 0.711 20 0 GCADHN CC(C)N(C)CCNS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000444176922 530543263 /nfs/dbraw/zinc/54/32/63/530543263.db2.gz RHOSMCJTHHHKPZ-UHFFFAOYSA-N 0 3 395.522 0.706 20 0 GCADHN C[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)C(=O)NCCN1CCCCC1 ZINC000567576615 530544994 /nfs/dbraw/zinc/54/49/94/530544994.db2.gz MSGSBBVSEYVLOI-GFCCVEGCSA-N 0 3 387.527 0.872 20 0 GCADHN O=C(NCCCNC(=O)c1ccc(Br)cc1)NC[C@H]1CNCCO1 ZINC000417484257 530553100 /nfs/dbraw/zinc/55/31/00/530553100.db2.gz KMARJQCQHQJNPB-CQSZACIVSA-N 0 3 399.289 0.857 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000673519937 530554552 /nfs/dbraw/zinc/55/45/52/530554552.db2.gz GOMZRJWQXFKVCK-VIFPVBQESA-N 0 3 378.292 0.621 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3n[nH]c4ccc(Br)cc43)CCN2C1=O ZINC000568296230 530557561 /nfs/dbraw/zinc/55/75/61/530557561.db2.gz CLKGVUZANILHFG-GXSJLCMTSA-N 0 3 378.230 0.709 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)CCN2C1=O ZINC000568268448 530557620 /nfs/dbraw/zinc/55/76/20/530557620.db2.gz XLRRWCCZHGTWTF-UFBFGSQYSA-N 0 3 392.250 0.521 20 0 GCADHN COc1cc(F)ccc1S(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000573699076 530583152 /nfs/dbraw/zinc/58/31/52/530583152.db2.gz HISLEDCRVUWQMC-ZDUSSCGKSA-N 0 3 385.383 0.949 20 0 GCADHN COCCNc1nc(N[C@@H]2CCS[C@@H]2C)nc(N[C@H]2CCS[C@H]2C)n1 ZINC000645401111 530559863 /nfs/dbraw/zinc/55/98/63/530559863.db2.gz BGMCMMSGVVHCCC-MPZDIEGVSA-N 0 3 384.575 0.807 20 0 GCADHN COCCCS(=O)(=O)[N-]CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000568510567 530560617 /nfs/dbraw/zinc/56/06/17/530560617.db2.gz SQGFAWHUOHJUFZ-UHFFFAOYSA-N 0 3 376.504 0.505 20 0 GCADHN COC1CCN(C2(CNS(=O)(=O)[C@H](C)C(=O)N(C)C)CCCC2)CC1 ZINC000447773771 530563182 /nfs/dbraw/zinc/56/31/82/530563182.db2.gz WCDLYSGRUSDAHQ-CQSZACIVSA-N 0 3 375.535 0.806 20 0 GCADHN CN(C)[C@H]1CN(CC(=O)Nc2cccc(I)c2)C[C@@H]1O ZINC000568763344 530563240 /nfs/dbraw/zinc/56/32/40/530563240.db2.gz HACUHAKYEHHZKF-STQMWFEESA-N 0 3 389.237 0.836 20 0 GCADHN C[C@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000447776676 530563330 /nfs/dbraw/zinc/56/33/30/530563330.db2.gz CNGODLUJOZLGLR-GJZGRUSLSA-N 0 3 397.607 0.944 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCCC[C@H]1C[C@@H](C)O)S(C)(=O)=O ZINC000447829510 530563696 /nfs/dbraw/zinc/56/36/96/530563696.db2.gz GQZLRJWAMIRRKY-CVEARBPZSA-N 0 3 377.551 0.788 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCCC[C@H]1C[C@H](C)O)S(C)(=O)=O ZINC000447829511 530564192 /nfs/dbraw/zinc/56/41/92/530564192.db2.gz GQZLRJWAMIRRKY-HOTGVXAUSA-N 0 3 377.551 0.788 20 0 GCADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000563874061 530565556 /nfs/dbraw/zinc/56/55/56/530565556.db2.gz FUFIIUOWKZCCOR-UHFFFAOYSA-N 0 3 385.559 0.823 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000451530517 530583403 /nfs/dbraw/zinc/58/34/03/530583403.db2.gz GVJCSCIESUIESX-IVZWLZJFSA-N 0 3 393.405 0.319 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)[C@@H](CN)C1 ZINC000569086984 530566531 /nfs/dbraw/zinc/56/65/31/530566531.db2.gz MJUAPOSGPMCUSH-CABZTGNLSA-N 0 3 387.267 0.644 20 0 GCADHN O=S(=O)(NC[C@@H]1CCCN(C[C@@H](O)COC[C@H]2CCCO2)C1)C1CC1 ZINC000518828444 530568034 /nfs/dbraw/zinc/56/80/34/530568034.db2.gz LQGBRUJUBQMNSW-ARFHVFGLSA-N 0 3 376.519 0.337 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC2CNC2)c(I)c1 ZINC000572702589 530570282 /nfs/dbraw/zinc/57/02/82/530570282.db2.gz NRYLCILJVKNTDV-UHFFFAOYSA-N 0 3 375.166 0.326 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000450988556 530571138 /nfs/dbraw/zinc/57/11/38/530571138.db2.gz AWKYDLSTHPASNO-BDAKNGLRSA-N 0 3 381.394 0.319 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000450988559 530571238 /nfs/dbraw/zinc/57/12/38/530571238.db2.gz AWKYDLSTHPASNO-IUCAKERBSA-N 0 3 381.394 0.319 20 0 GCADHN Cc1cc(S(=O)(=O)NCCNC(=O)NC[C@]2(O)CCN(C)C2)c(C)s1 ZINC000460272327 530571559 /nfs/dbraw/zinc/57/15/59/530571559.db2.gz XDBRGIIKWUHSJM-OAHLLOKOSA-N 0 3 390.531 0.009 20 0 GCADHN CCS[C@@H]1CCC[C@@H]1NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000367015625 530574049 /nfs/dbraw/zinc/57/40/49/530574049.db2.gz LURBTOVBUGYSGW-OWCLPIDISA-N 0 3 389.587 0.582 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C3=Cc4cc(Br)ccc4OC3)CCN2C1=O ZINC000573138030 530575449 /nfs/dbraw/zinc/57/54/49/530575449.db2.gz DNEUZRKVLSCIAV-KBPBESRZSA-N 0 3 392.253 0.995 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@](=O)C[C@@H](C)C1 ZINC000582160365 530575514 /nfs/dbraw/zinc/57/55/14/530575514.db2.gz NBYGSSVNIAYUPJ-MYODQAERSA-N 0 3 376.548 0.451 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C3=Cc4cc(Br)ccc4OC3)CCN2C1=O ZINC000573138032 530575877 /nfs/dbraw/zinc/57/58/77/530575877.db2.gz DNEUZRKVLSCIAV-UONOGXRCSA-N 0 3 392.253 0.995 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 ZINC000451223736 530575892 /nfs/dbraw/zinc/57/58/92/530575892.db2.gz AKUZIHRARCCRIO-NSHDSACASA-N 0 3 390.424 0.589 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000583513042 530577197 /nfs/dbraw/zinc/57/71/97/530577197.db2.gz MHMFCDGGXAIEPE-INIZCTEOSA-N 0 3 387.527 0.701 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CCNC(=O)C(C)C ZINC000451369538 530578318 /nfs/dbraw/zinc/57/83/18/530578318.db2.gz NXWCXIYMYNCTNT-SNVBAGLBSA-N 0 3 376.397 0.904 20 0 GCADHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)Cc1noc(CCC(=O)OC)n1 ZINC000609555100 530578719 /nfs/dbraw/zinc/57/87/19/530578719.db2.gz KBODAYAPUQOIQI-JTQLQIEISA-N 0 3 375.447 0.783 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCCNCC1 ZINC000573324243 530579054 /nfs/dbraw/zinc/57/90/54/530579054.db2.gz KZERGOZAKRDUFU-UHFFFAOYSA-N 0 3 376.276 0.549 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c(Br)c1 ZINC000573853876 530584116 /nfs/dbraw/zinc/58/41/16/530584116.db2.gz OPQUQZCQDTWOIC-JTQLQIEISA-N 0 3 378.292 0.721 20 0 GCADHN O=C1[C@@H](NC[C@@H](O)COc2cccc(Br)c2)CCCN1CCO ZINC000583565266 530581351 /nfs/dbraw/zinc/58/13/51/530581351.db2.gz XUCAOAIZBMTZGG-HIFRSBDPSA-N 0 3 387.274 0.762 20 0 GCADHN O=S(=O)([N-]CCNC[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000629579137 530581570 /nfs/dbraw/zinc/58/15/70/530581570.db2.gz ZGCVRDAKRVODGM-CYBMUJFWSA-N 0 3 379.885 0.804 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3csc(I)c3)CCN2C1=O ZINC000583575790 530581863 /nfs/dbraw/zinc/58/18/63/530581863.db2.gz SNHRACGNTFBZGQ-BDAKNGLRSA-N 0 3 391.234 0.737 20 0 GCADHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000445773706 530551139 /nfs/dbraw/zinc/55/11/39/530551139.db2.gz LQDIULMVDPHVTJ-CMPLNLGQSA-N 0 3 388.877 0.560 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2ccc(Br)s2)[C@H](CN)C1 ZINC000519363517 530593198 /nfs/dbraw/zinc/59/31/98/530593198.db2.gz ZBAZJQHRFCYWIZ-SECBINFHSA-N 0 3 375.292 0.228 20 0 GCADHN CS(=O)(=O)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1Cl ZINC000519426550 530594883 /nfs/dbraw/zinc/59/48/83/530594883.db2.gz MANZOUSRJTULSS-CMPLNLGQSA-N 0 3 386.861 0.519 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451987237 530595310 /nfs/dbraw/zinc/59/53/10/530595310.db2.gz NZTMDISHLXNMAN-OUAUKWLOSA-N 0 3 386.392 0.895 20 0 GCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1F)CCN1CCCOCC1 ZINC000451992351 530595328 /nfs/dbraw/zinc/59/53/28/530595328.db2.gz SYSSFPIHLGGSOD-UHFFFAOYSA-N 0 3 375.466 0.506 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451987239 530595491 /nfs/dbraw/zinc/59/54/91/530595491.db2.gz NZTMDISHLXNMAN-VWYCJHECSA-N 0 3 386.392 0.895 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(CCO)C1CCSCC1 ZINC000452016611 530596476 /nfs/dbraw/zinc/59/64/76/530596476.db2.gz NWHMFBLOWRZXNZ-UHFFFAOYSA-N 0 3 390.575 0.940 20 0 GCADHN O=C(C[C@@H]1CNCCO1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000575060568 530596709 /nfs/dbraw/zinc/59/67/09/530596709.db2.gz DCDWIILTHRJRHL-HIFRSBDPSA-N 0 3 382.258 0.827 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000575094629 530596732 /nfs/dbraw/zinc/59/67/32/530596732.db2.gz HTZASUKPQHRMSK-JKSUJKDBSA-N 0 3 375.535 0.544 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417928325 530597763 /nfs/dbraw/zinc/59/77/63/530597763.db2.gz MSEGUXNIEFCFTL-JTQLQIEISA-N 0 3 396.922 0.358 20 0 GCADHN CC(C)N(C)C[C@H](C)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000575369486 530599716 /nfs/dbraw/zinc/59/97/16/530599716.db2.gz SHXFEVVCTFJJGT-AWEZNQCLSA-N 0 3 377.532 0.613 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3Br)CCN2C1=O ZINC000519785402 530600464 /nfs/dbraw/zinc/60/04/64/530600464.db2.gz XPXNHBFXKPCPON-MWLCHTKSSA-N 0 3 392.250 0.521 20 0 GCADHN O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)C(=O)NC1CNC1 ZINC000642417795 530601616 /nfs/dbraw/zinc/60/16/16/530601616.db2.gz CAZYIWLVCLZLDS-LLVKDONJSA-N 0 3 381.274 0.480 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H](C)c1ccc(F)cc1 ZINC000519872859 530602297 /nfs/dbraw/zinc/60/22/97/530602297.db2.gz WBYSBHUXFJFIJA-WDMOLILDSA-N 0 3 377.459 0.993 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCN1CCCO ZINC000452349399 530602854 /nfs/dbraw/zinc/60/28/54/530602854.db2.gz MPSQTOUMGPOHGU-AWEZNQCLSA-N 0 3 389.905 0.581 20 0 GCADHN COc1cc(NC(=O)CCNCCNS(C)(=O)=O)cc(OC)c1OC ZINC000520218774 530605806 /nfs/dbraw/zinc/60/58/06/530605806.db2.gz CEMJHVSZTMQCNA-UHFFFAOYSA-N 0 3 375.447 0.180 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000576135105 530605804 /nfs/dbraw/zinc/60/58/04/530605804.db2.gz HCFXEBDJJAVJDO-UONOGXRCSA-N 0 3 397.273 0.620 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCCn2cc(Br)ccc2=O)CC1=O ZINC000452731579 530605919 /nfs/dbraw/zinc/60/59/19/530605919.db2.gz ONJNZPSZWKXCPN-GFCCVEGCSA-N 0 3 399.289 0.137 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H]1CCC[C@H]1O ZINC000580564418 530615654 /nfs/dbraw/zinc/61/56/54/530615654.db2.gz YMFWSGKXFQPBAQ-CHWSQXEVSA-N 0 3 376.500 0.214 20 0 GCADHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000266131388 530607090 /nfs/dbraw/zinc/60/70/90/530607090.db2.gz AZVLSQAOGARKIP-XJKSGUPXSA-N 0 3 389.543 0.898 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)COc3ccc(F)cc3Br)CCN2C1=O ZINC000576292226 530607407 /nfs/dbraw/zinc/60/74/07/530607407.db2.gz HRDJYAHWSSVHDU-JQWIXIFHSA-N 0 3 386.221 0.737 20 0 GCADHN CC[C@@H]1CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CCN1C[C@@H](C)O ZINC000329184758 530607782 /nfs/dbraw/zinc/60/77/82/530607782.db2.gz GDEGHEJISKWFGI-RBSFLKMASA-N 0 3 376.519 0.272 20 0 GCADHN CC[NH2+]CCCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000576344365 530607941 /nfs/dbraw/zinc/60/79/41/530607941.db2.gz IQWNKNYGCMDYCC-UHFFFAOYSA-N 0 3 384.321 0.905 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000576361969 530608007 /nfs/dbraw/zinc/60/80/07/530608007.db2.gz UGURQZOUTCVAAW-GXSJLCMTSA-N 0 3 381.351 0.777 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)C[C@@H]21 ZINC000453933587 530610133 /nfs/dbraw/zinc/61/01/33/530610133.db2.gz PWVSDYORDKZTAU-YGRLFVJLSA-N 0 3 385.873 0.845 20 0 GCADHN COCCN(C)CCNC(=O)NCCn1cc(Br)ccc1=O ZINC000454434631 530610447 /nfs/dbraw/zinc/61/04/47/530610447.db2.gz LUCFCDSECOSXGD-UHFFFAOYSA-N 0 3 375.267 0.488 20 0 GCADHN COCCOC1(CNC(=O)NC[C@@]2(N(C)C)CCSC2)CCOCC1 ZINC000454594677 530611462 /nfs/dbraw/zinc/61/14/62/530611462.db2.gz CVKQPTBCEPFOCX-INIZCTEOSA-N 0 3 375.535 0.935 20 0 GCADHN COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCN1C ZINC000576719098 530611974 /nfs/dbraw/zinc/61/19/74/530611974.db2.gz QAJXWSHBHSFNPE-SECBINFHSA-N 0 3 396.282 0.779 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@H]1CC[C@H](O)CC1 ZINC000573913979 530585210 /nfs/dbraw/zinc/58/52/10/530585210.db2.gz QPAGERNXZZGYGR-HDJSIYSDSA-N 0 3 390.527 0.604 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000528471985 530585416 /nfs/dbraw/zinc/58/54/16/530585416.db2.gz JGKMCEHTNDVPTM-AWEZNQCLSA-N 0 3 375.535 0.664 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCC1CCOCC1 ZINC000574032427 530586309 /nfs/dbraw/zinc/58/63/09/530586309.db2.gz CGVZFWTWNMJJAY-UHFFFAOYSA-N 0 3 390.527 0.727 20 0 GCADHN C[C@H](NC(=O)c1cncc(I)c1)C(=O)NCCN(C)C ZINC000574062243 530587085 /nfs/dbraw/zinc/58/70/85/530587085.db2.gz OOWGLDVVQVZWGA-VIFPVBQESA-N 0 3 390.225 0.482 20 0 GCADHN C[C@@H](NC(=O)c1c(Br)cnn1C)C(=O)NCCN1CCCCC1 ZINC000574168592 530587921 /nfs/dbraw/zinc/58/79/21/530587921.db2.gz MQZDKKGIGVSQNA-LLVKDONJSA-N 0 3 386.294 0.903 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1C(F)(F)F ZINC000574173680 530588390 /nfs/dbraw/zinc/58/83/90/530588390.db2.gz PKWKQYSRMKNTKQ-ZWNOBZJWSA-N 0 3 377.388 0.946 20 0 GCADHN CCC(CC)[C@@H](CNC(=O)NC[C@]1(O)CCS(=O)(=O)C1)N1CCCC1 ZINC000457611154 530624605 /nfs/dbraw/zinc/62/46/05/530624605.db2.gz KPSZPRMRJQPVMY-NVXWUHKLSA-N 0 3 375.535 0.736 20 0 GCADHN CCCN1CCC(CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330047435 530624833 /nfs/dbraw/zinc/62/48/33/530624833.db2.gz JIHOQCSSNUIJGH-UHFFFAOYSA-N 0 3 395.591 0.699 20 0 GCADHN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)NC1CNC1 ZINC000577839078 530625062 /nfs/dbraw/zinc/62/50/62/530625062.db2.gz ONTQMLIZZKGHMV-UHFFFAOYSA-N 0 3 386.861 0.151 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@H](C)O1 ZINC000577842867 530625253 /nfs/dbraw/zinc/62/52/53/530625253.db2.gz JRGKBEJQBDLZDV-QXSJWSMHSA-N 0 3 375.535 0.003 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC000457919674 530627412 /nfs/dbraw/zinc/62/74/12/530627412.db2.gz DFJAYSFMMMXQHY-CPUCHLNUSA-N 0 3 375.535 0.592 20 0 GCADHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC000457919676 530627633 /nfs/dbraw/zinc/62/76/33/530627633.db2.gz DFJAYSFMMMXQHY-VBQJREDUSA-N 0 3 375.535 0.592 20 0 GCADHN CC(C(=O)N1CSC[C@H]1C(=O)N1CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330158422 530628070 /nfs/dbraw/zinc/62/80/70/530628070.db2.gz QAZMQSMDEVJGQO-OCCSQVGLSA-N 0 3 390.527 0.493 20 0 GCADHN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330170363 530628330 /nfs/dbraw/zinc/62/83/30/530628330.db2.gz XBSQDRVLIXKNLF-OCCSQVGLSA-N 0 3 392.543 0.737 20 0 GCADHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC000458382260 530631171 /nfs/dbraw/zinc/63/11/71/530631171.db2.gz QXWSQMMDBJOOIO-RHSMWYFYSA-N 0 3 375.535 0.736 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccs1)NC[C@H]1CCCN1CCCO ZINC000458589077 530632072 /nfs/dbraw/zinc/63/20/72/530632072.db2.gz TWBMCJIQXIZXOE-CYBMUJFWSA-N 0 3 390.531 0.172 20 0 GCADHN CN(C)C[C@H]1CCCN1C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000331449617 530632142 /nfs/dbraw/zinc/63/21/42/530632142.db2.gz OQAVERXBSRKYLT-CQSZACIVSA-N 0 3 387.527 0.935 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000458745894 530633574 /nfs/dbraw/zinc/63/35/74/530633574.db2.gz PWNVNNYIXWZLEI-AWEZNQCLSA-N 0 3 375.539 0.335 20 0 GCADHN CN(C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C1CC([NH3+])C1 ZINC000577952136 530633850 /nfs/dbraw/zinc/63/38/50/530633850.db2.gz SJKHEEXFNDHAQP-UHFFFAOYSA-N 0 3 382.305 0.737 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000458871257 530634486 /nfs/dbraw/zinc/63/44/86/530634486.db2.gz XSPQJNVSOBQVJI-MRXNPFEDSA-N 0 3 389.905 0.870 20 0 GCADHN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578027153 530635374 /nfs/dbraw/zinc/63/53/74/530635374.db2.gz PZTHUOFPQMUVID-QMTHXVAHSA-N 0 3 390.868 0.400 20 0 GCADHN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578027154 530635481 /nfs/dbraw/zinc/63/54/81/530635481.db2.gz PZTHUOFPQMUVID-YGRLFVJLSA-N 0 3 390.868 0.400 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCN(C(N)=O)CC1 ZINC000331943373 530638291 /nfs/dbraw/zinc/63/82/91/530638291.db2.gz YGYRTAXFJQWZQE-VIFPVBQESA-N 0 3 375.369 0.287 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)cc1 ZINC000331960735 530638975 /nfs/dbraw/zinc/63/89/75/530638975.db2.gz QOJRUQDXYSDNMT-ZDUSSCGKSA-N 0 3 387.527 0.890 20 0 GCADHN CCCN(CCN(CC)CC)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000461359344 530642538 /nfs/dbraw/zinc/64/25/38/530642538.db2.gz FIILFPUBZNINQV-CQSZACIVSA-N 0 3 376.523 0.053 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000577115830 530616459 /nfs/dbraw/zinc/61/64/59/530616459.db2.gz TXDSCQQGNZBWGG-UHFFFAOYSA-N 0 3 378.564 0.395 20 0 GCADHN O=S(=O)(Cc1ccon1)NCCNC[C@H](O)COc1ccc(Cl)cc1 ZINC000580640887 530616634 /nfs/dbraw/zinc/61/66/34/530616634.db2.gz HKWMZHRGEDAHGB-AWEZNQCLSA-N 0 3 389.861 0.777 20 0 GCADHN CCCS(=O)(=O)c1ccc(S(=O)(=O)NCCOCCN(C)C)cc1 ZINC000580671550 530618217 /nfs/dbraw/zinc/61/82/17/530618217.db2.gz DGEJVHUHZXSSJA-UHFFFAOYSA-N 0 3 378.516 0.727 20 0 GCADHN CCc1ncc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000577353801 530619920 /nfs/dbraw/zinc/61/99/20/530619920.db2.gz KQZATHAQWDELAE-UHFFFAOYSA-N 0 3 388.559 0.780 20 0 GCADHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000468429580 530680516 /nfs/dbraw/zinc/68/05/16/530680516.db2.gz QGMCZAUGCSAHML-GASCZTMLSA-N 0 3 383.580 0.555 20 0 GCADHN CN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[C@@H](CN)C1CC1 ZINC000461899262 530646229 /nfs/dbraw/zinc/64/62/29/530646229.db2.gz IMIVCOBPVDTXQG-HOCLYGCPSA-N 0 3 385.555 0.933 20 0 GCADHN Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000349475170 530646235 /nfs/dbraw/zinc/64/62/35/530646235.db2.gz LPWUPQQDWIPZPY-CYBMUJFWSA-N 0 3 393.535 0.206 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000461900036 530646512 /nfs/dbraw/zinc/64/65/12/530646512.db2.gz QSAIPZOZTHNBEC-QWHCGFSZSA-N 0 3 387.889 0.871 20 0 GCADHN CC(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccnc(N(C)C)c1 ZINC000349541257 530682735 /nfs/dbraw/zinc/68/27/35/530682735.db2.gz VVBCSMVMMDUIEQ-UHFFFAOYSA-N 0 3 378.520 0.949 20 0 GCADHN CC(C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc[nH+]c(N(C)C)c1 ZINC000349541257 530682736 /nfs/dbraw/zinc/68/27/36/530682736.db2.gz VVBCSMVMMDUIEQ-UHFFFAOYSA-N 0 3 378.520 0.949 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000332689943 530652599 /nfs/dbraw/zinc/65/25/99/530652599.db2.gz QAKFVBCEUVZLFB-GARJFASQSA-N 0 3 386.392 0.943 20 0 GCADHN COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000462872996 530654576 /nfs/dbraw/zinc/65/45/76/530654576.db2.gz LGBVBMZMPXRSHJ-SNVBAGLBSA-N 0 3 388.262 0.743 20 0 GCADHN COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000462872652 530655010 /nfs/dbraw/zinc/65/50/10/530655010.db2.gz LGBVBMZMPXRSHJ-JTQLQIEISA-N 0 3 388.262 0.743 20 0 GCADHN CS(=O)(=O)N(CC(F)(F)F)C1CCN(CCN2CCCOCC2)CC1 ZINC000463078336 530655853 /nfs/dbraw/zinc/65/58/53/530655853.db2.gz QCMDXLPDRFGMRL-UHFFFAOYSA-N 0 3 387.468 0.997 20 0 GCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000333503928 530659741 /nfs/dbraw/zinc/65/97/41/530659741.db2.gz OHFFDEFWACBHOD-ZIAGYGMSSA-N 0 3 378.564 0.347 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCCCN1CCC(O)CC1 ZINC000609883030 530683169 /nfs/dbraw/zinc/68/31/69/530683169.db2.gz DBBSOIFHISTKSH-AWEZNQCLSA-N 0 3 381.564 0.010 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1F ZINC000333733195 530662448 /nfs/dbraw/zinc/66/24/48/530662448.db2.gz WMIWZXWKRHGNJK-ABAIWWIYSA-N 0 3 391.490 0.958 20 0 GCADHN C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnc(N(C)C)c2)C1 ZINC000349503800 530662478 /nfs/dbraw/zinc/66/24/78/530662478.db2.gz LIPHTZFMCJNELH-ZDUSSCGKSA-N 0 3 390.531 0.951 20 0 GCADHN C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc[nH+]c(N(C)C)c2)C1 ZINC000349503800 530662479 /nfs/dbraw/zinc/66/24/79/530662479.db2.gz LIPHTZFMCJNELH-ZDUSSCGKSA-N 0 3 390.531 0.951 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000369668691 530664349 /nfs/dbraw/zinc/66/43/49/530664349.db2.gz ZIVKAFZXDGDWQH-HIFRSBDPSA-N 0 3 375.535 0.662 20 0 GCADHN CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@H](N)CC(F)F)cn2)CC1 ZINC000645974718 530665758 /nfs/dbraw/zinc/66/57/58/530665758.db2.gz WJBJFVRTYFQABV-NSHDSACASA-N 0 3 377.417 0.084 20 0 GCADHN CN(C)CC1(NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CCC1 ZINC000466581935 530669730 /nfs/dbraw/zinc/66/97/30/530669730.db2.gz SBYXZKCKBXIPEC-UHFFFAOYSA-N 0 3 387.527 0.983 20 0 GCADHN CN(C)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000580364288 530670805 /nfs/dbraw/zinc/67/08/05/530670805.db2.gz JKDJYBZZLMCPPZ-KBPBESRZSA-N 0 3 375.878 0.094 20 0 GCADHN CC(C)(C)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000349527396 530673843 /nfs/dbraw/zinc/67/38/43/530673843.db2.gz VWYNUXOCZBNKCY-CQSZACIVSA-N 0 3 381.564 0.594 20 0 GCADHN CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000669579912 530674791 /nfs/dbraw/zinc/67/47/91/530674791.db2.gz ASYHKUCWGNEFFV-UHFFFAOYSA-N 0 3 376.429 0.637 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NC[C@H]1CCCC[NH2+]1 ZINC000669579975 530674884 /nfs/dbraw/zinc/67/48/84/530674884.db2.gz XCWGGZSDDMHVRE-GFCCVEGCSA-N 0 3 376.429 0.684 20 0 GCADHN O=C(CN1CCNCC1)NCc1cn(Cc2cccc(Br)c2)nn1 ZINC000640842199 530675295 /nfs/dbraw/zinc/67/52/95/530675295.db2.gz KDFNKUBBYJPXEZ-UHFFFAOYSA-N 0 3 393.289 0.610 20 0 GCADHN Cc1nc(SCCC(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)n[nH]1 ZINC000467643473 530675925 /nfs/dbraw/zinc/67/59/25/530675925.db2.gz JUVCSRVVYTZXHE-CYBMUJFWSA-N 0 3 389.547 0.563 20 0 GCADHN Cc1nnc(SCCC(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000467643473 530675928 /nfs/dbraw/zinc/67/59/28/530675928.db2.gz JUVCSRVVYTZXHE-CYBMUJFWSA-N 0 3 389.547 0.563 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000468904341 530677089 /nfs/dbraw/zinc/67/70/89/530677089.db2.gz JIJIBLPJVNXXQU-LBPRGKRZSA-N 0 3 375.516 0.839 20 0 GCADHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639594182 530678247 /nfs/dbraw/zinc/67/82/47/530678247.db2.gz ZKOYBWYJVHVFKR-HOTGVXAUSA-N 0 3 375.535 0.710 20 0 GCADHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639594181 530678542 /nfs/dbraw/zinc/67/85/42/530678542.db2.gz ZKOYBWYJVHVFKR-CVEARBPZSA-N 0 3 375.535 0.710 20 0 GCADHN COCCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000639611024 530679247 /nfs/dbraw/zinc/67/92/47/530679247.db2.gz ONFULWZHHSOWFO-GDBMZVCRSA-N 0 3 375.535 0.664 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301270670 530679278 /nfs/dbraw/zinc/67/92/78/530679278.db2.gz XWQOJMDHPNCRQH-UHFFFAOYSA-N 0 3 386.294 0.533 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2csc(C(=O)OC)c2)CC1 ZINC000469169065 530685971 /nfs/dbraw/zinc/68/59/71/530685971.db2.gz USVJIKAVEYQDSK-GFCCVEGCSA-N 0 3 375.516 0.839 20 0 GCADHN CC(C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000469119502 530686208 /nfs/dbraw/zinc/68/62/08/530686208.db2.gz SNCLXUHIMANRQV-BZNIZROVSA-N 0 3 379.475 0.178 20 0 GCADHN CC(C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000469119537 530686395 /nfs/dbraw/zinc/68/63/95/530686395.db2.gz SNCLXUHIMANRQV-MEDUHNTESA-N 0 3 379.475 0.178 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000470088696 530692885 /nfs/dbraw/zinc/69/28/85/530692885.db2.gz UBLCBONRKRDPDE-CVEARBPZSA-N 0 3 375.535 0.496 20 0 GCADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000470081046 530693101 /nfs/dbraw/zinc/69/31/01/530693101.db2.gz YTDVWDVWWHQPLM-HZPDHXFCSA-N 0 3 375.535 0.665 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000470080187 530693185 /nfs/dbraw/zinc/69/31/85/530693185.db2.gz UVURICROZPHVSN-CABCVRRESA-N 0 3 395.591 0.665 20 0 GCADHN C[C@H](CN)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000470451392 530694162 /nfs/dbraw/zinc/69/41/62/530694162.db2.gz JZSMZUUCGNOJPP-MFKMUULPSA-N 0 3 375.878 0.337 20 0 GCADHN NC[C@@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000648110622 530694847 /nfs/dbraw/zinc/69/48/47/530694847.db2.gz XDESLSAGFFIKOU-LLVKDONJSA-N 0 3 377.260 0.409 20 0 GCADHN CCN(CCO)CCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000470590477 530695473 /nfs/dbraw/zinc/69/54/73/530695473.db2.gz HXNYZQXDLLDPEL-UHFFFAOYSA-N 0 3 389.543 0.967 20 0 GCADHN CCN(CCO)CCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000470592655 530695533 /nfs/dbraw/zinc/69/55/33/530695533.db2.gz KHEFWTAIBLXKRW-UHFFFAOYSA-N 0 3 379.429 0.064 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000470591866 530695683 /nfs/dbraw/zinc/69/56/83/530695683.db2.gz VMFRSUORWVUVCM-LBPRGKRZSA-N 0 3 377.894 0.437 20 0 GCADHN Cc1nc(NC(=O)C(=O)NCC2CCN(CCO)CC2)ccc1Br ZINC000193311255 530698995 /nfs/dbraw/zinc/69/89/95/530698995.db2.gz KQHWOGWPRXRTTG-UHFFFAOYSA-N 0 3 399.289 0.912 20 0 GCADHN CN(C)CCOCCNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000471625064 530700704 /nfs/dbraw/zinc/70/07/04/530700704.db2.gz FSFDKTCMRZHSHY-UHFFFAOYSA-N 0 3 389.905 0.662 20 0 GCADHN CN(C)CCOCCNC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000471638354 530700777 /nfs/dbraw/zinc/70/07/77/530700777.db2.gz RWCZUYKVTGOTIU-UHFFFAOYSA-N 0 3 377.894 0.991 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000360975830 530702495 /nfs/dbraw/zinc/70/24/95/530702495.db2.gz CMWZUDZVSZKESE-VXGBXAGGSA-N 0 3 388.515 0.319 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)s1 ZINC000363066556 530709440 /nfs/dbraw/zinc/70/94/40/530709440.db2.gz QRDAYLJWJIJGIX-CYBMUJFWSA-N 0 3 387.527 0.935 20 0 GCADHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000472898543 530709720 /nfs/dbraw/zinc/70/97/20/530709720.db2.gz NQLBVTCLLZDJKC-UHFFFAOYSA-N 0 3 391.877 0.376 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349593357 530709794 /nfs/dbraw/zinc/70/97/94/530709794.db2.gz PNRLAFAEQDHKIN-TZMCWYRMSA-N 0 3 393.535 0.334 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000473273469 530711028 /nfs/dbraw/zinc/71/10/28/530711028.db2.gz QUAIXYXYPCZUQS-INIZCTEOSA-N 0 3 375.466 0.313 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)CN(C)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000363315884 530712282 /nfs/dbraw/zinc/71/22/82/530712282.db2.gz ARVFWZXAXZTXIN-GASCZTMLSA-N 0 3 375.535 0.616 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000473539922 530712328 /nfs/dbraw/zinc/71/23/28/530712328.db2.gz LQWGYBYEIDHFLB-HOTGVXAUSA-N 0 3 375.535 0.758 20 0 GCADHN Cc1ccncc1NS(=O)(=O)CCCS(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000349597979 530712607 /nfs/dbraw/zinc/71/26/07/530712607.db2.gz DDXLDSIHVPEZBH-CQSZACIVSA-N 0 3 390.531 0.393 20 0 GCADHN CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000474869998 530721447 /nfs/dbraw/zinc/72/14/47/530721447.db2.gz ALEHFOKWSXJZOH-ZBFHGGJFSA-N 0 3 377.551 0.956 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccnc1Br ZINC000367670997 530715184 /nfs/dbraw/zinc/71/51/84/530715184.db2.gz IQWDIPOIAZTRDU-QWRGUYRKSA-N 0 3 383.246 0.762 20 0 GCADHN CC(=O)OCCCS(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000367786807 530715987 /nfs/dbraw/zinc/71/59/87/530715987.db2.gz QFWNZNSQKPLRJI-UHFFFAOYSA-N 0 3 375.535 0.760 20 0 GCADHN O=S(=O)(NC[C@@H]1C[C@H](F)CN1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000367835349 530716845 /nfs/dbraw/zinc/71/68/45/530716845.db2.gz YERIZADCCPLSKL-STQMWFEESA-N 0 3 391.490 0.449 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc(C(=O)OC)s2)CC1 ZINC000525894784 530684509 /nfs/dbraw/zinc/68/45/09/530684509.db2.gz PYCXKCYNFPFBAA-LBPRGKRZSA-N 0 3 375.516 0.839 20 0 GCADHN CCO[C@@H]1C[C@](O)(CNC(=O)C(C)S(=O)(=O)C2CCOCC2)C1(C)C ZINC000476850709 530736537 /nfs/dbraw/zinc/73/65/37/530736537.db2.gz KBANPYQTQRLRSN-QEORTHHSSA-N 0 3 377.503 0.651 20 0 GCADHN NS(=O)(=O)c1cc(C(=O)NCC2(N3CCSCC3)CCCC2)ccn1 ZINC000369947731 530736729 /nfs/dbraw/zinc/73/67/29/530736729.db2.gz IFCWYCVMDHZBLZ-UHFFFAOYSA-N 0 3 384.527 0.820 20 0 GCADHN C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)[C@@H](C)CN1 ZINC000579007831 530738152 /nfs/dbraw/zinc/73/81/52/530738152.db2.gz BAFICXYLONDPKR-QWRGUYRKSA-N 0 3 390.303 0.936 20 0 GCADHN CN(CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C1CCCC1 ZINC000477011147 530738561 /nfs/dbraw/zinc/73/85/61/530738561.db2.gz IHWAJWKRLUQJII-UHFFFAOYSA-N 0 3 389.543 0.759 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)C2(S(C)(=O)=O)CCNCC2)C[C@H](C)O1 ZINC000579236038 530739954 /nfs/dbraw/zinc/73/99/54/530739954.db2.gz STDZUZBTUCAXAS-GASCZTMLSA-N 0 3 375.535 0.159 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)C2(S(C)(=O)=O)CCNCC2)C[C@H](C)O1 ZINC000579236039 530740055 /nfs/dbraw/zinc/74/00/55/530740055.db2.gz STDZUZBTUCAXAS-GJZGRUSLSA-N 0 3 375.535 0.159 20 0 GCADHN CN1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)[C@@H](CN)C1 ZINC000579350934 530741798 /nfs/dbraw/zinc/74/17/98/530741798.db2.gz ABEWDJDCIUINMO-LSDHHAIUSA-N 0 3 395.301 0.903 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCCC(C)(C)O ZINC000579465927 530742907 /nfs/dbraw/zinc/74/29/07/530742907.db2.gz XIFJKIFRAXCSBG-UHFFFAOYSA-N 0 3 378.516 0.461 20 0 GCADHN CN(CC(=O)NCC1(O)CCN(C)CC1)C(=O)c1ccc(Br)o1 ZINC000474984329 530722130 /nfs/dbraw/zinc/72/21/30/530722130.db2.gz FZCVFSAREVQRPB-UHFFFAOYSA-N 0 3 388.262 0.687 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000477487653 530744258 /nfs/dbraw/zinc/74/42/58/530744258.db2.gz KKRKICIJFNSSRQ-HUUCEWRRSA-N 0 3 388.559 0.957 20 0 GCADHN O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@H]1CNCCO1 ZINC000578063032 530724909 /nfs/dbraw/zinc/72/49/09/530724909.db2.gz TXWFYTWMKGXFIX-LLVKDONJSA-N 0 3 384.230 0.279 20 0 GCADHN C[NH+](C)C[C@@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000578376463 530730573 /nfs/dbraw/zinc/73/05/73/530730573.db2.gz DKSPSKZGBDNDIX-AWEZNQCLSA-N 0 3 398.312 0.701 20 0 GCADHN CN1CCC(N2CC[C@@H](NC(=O)CS[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000369272908 530730639 /nfs/dbraw/zinc/73/06/39/530730639.db2.gz DGYIIAZBTQXTHU-HIFRSBDPSA-N 0 3 375.560 0.191 20 0 GCADHN C[C@H](C(=O)NC[C@@H]1CNCCO1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000578434325 530731240 /nfs/dbraw/zinc/73/12/40/530731240.db2.gz OSBOZPRSUMJSBY-KOLCDFICSA-N 0 3 396.241 0.538 20 0 GCADHN CCCN(C(=O)[C@H](C)N[C@H](C)[C@H](C)C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000578454864 530732205 /nfs/dbraw/zinc/73/22/05/530732205.db2.gz BFGMTVVXALGJCV-LJISPDSOSA-N 0 3 376.519 0.978 20 0 GCADHN COc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(Br)c1OC ZINC000578523837 530732614 /nfs/dbraw/zinc/73/26/14/530732614.db2.gz RXOZGZSHBFMQPS-JQWIXIFHSA-N 0 3 398.257 0.850 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cccs1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000476443979 530733378 /nfs/dbraw/zinc/73/33/78/530733378.db2.gz SFELSARLXYXSGC-AWEZNQCLSA-N 0 3 387.527 0.740 20 0 GCADHN CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)C1 ZINC000578671041 530734032 /nfs/dbraw/zinc/73/40/32/530734032.db2.gz PDGSLEJLJIUDCS-CABCVRRESA-N 0 3 375.539 0.431 20 0 GCADHN C[NH2+]C[C@H](C)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418159298 530749554 /nfs/dbraw/zinc/74/95/54/530749554.db2.gz QWBMBADAHYAMHK-JTQLQIEISA-N 0 3 380.873 0.912 20 0 GCADHN COc1ccc(S(=O)(=O)NCC2(SC)CCN(C)CC2)cc1C(N)=O ZINC000580010022 530749762 /nfs/dbraw/zinc/74/97/62/530749762.db2.gz SKYFJNLJVHNVKN-UHFFFAOYSA-N 0 3 387.527 0.900 20 0 GCADHN O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NC[C@H]1CNCCO1 ZINC000418151804 530749812 /nfs/dbraw/zinc/74/98/12/530749812.db2.gz GDVPENSPMYMVIU-LLVKDONJSA-N 0 3 394.856 0.045 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1Br ZINC000580785074 530750767 /nfs/dbraw/zinc/75/07/67/530750767.db2.gz NLPAXDAFNKBGTN-GWCFXTLKSA-N 0 3 388.287 0.690 20 0 GCADHN CC(C)C[C@H](C[NH3+])NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418164945 530750868 /nfs/dbraw/zinc/75/08/68/530750868.db2.gz HWOMOCLYYYKMLY-GFCCVEGCSA-N 0 3 378.445 0.916 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)NCC1=CC[NH2+]CC1 ZINC000418166097 530750983 /nfs/dbraw/zinc/75/09/83/530750983.db2.gz YYVFGFGFIRDYDY-UHFFFAOYSA-N 0 3 390.868 0.976 20 0 GCADHN C[C@H](C[N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C[NH+](C)C ZINC000641509301 530751171 /nfs/dbraw/zinc/75/11/71/530751171.db2.gz YPCBLIWWMWFWCD-SECBINFHSA-N 0 3 376.280 0.968 20 0 GCADHN [NH3+]CC[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(F)F ZINC000418168700 530751278 /nfs/dbraw/zinc/75/12/78/530751278.db2.gz LSUXPBGYIFVLFN-SNVBAGLBSA-N 0 3 386.371 0.525 20 0 GCADHN O=C(NC[C@H](O)COc1ccccc1Br)[C@@H]1CN2CCN1CCC2 ZINC000371297619 530751318 /nfs/dbraw/zinc/75/13/18/530751318.db2.gz MKRFDHNRLHWLJL-ZFWWWQNUSA-N 0 3 398.301 0.695 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N[C@H]1CCC[NH2+]C1 ZINC000418174129 530751355 /nfs/dbraw/zinc/75/13/55/530751355.db2.gz QXURZFVKYBSIHE-NSHDSACASA-N 0 3 378.857 0.809 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NCC[C@H]1CCC[NH2+]1 ZINC000418175937 530751385 /nfs/dbraw/zinc/75/13/85/530751385.db2.gz UGEWQVFMGFKDCR-GFCCVEGCSA-N 0 3 376.429 0.684 20 0 GCADHN CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@H](CN)C1 ZINC000478614955 530751517 /nfs/dbraw/zinc/75/15/17/530751517.db2.gz JUOUWRLHBZREMM-GFCCVEGCSA-N 0 3 382.891 0.233 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(Br)c1 ZINC000580963200 530752659 /nfs/dbraw/zinc/75/26/59/530752659.db2.gz MPACUXALOOCUNH-CMPLNLGQSA-N 0 3 388.287 0.690 20 0 GCADHN C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)CCN1C ZINC000581016815 530752865 /nfs/dbraw/zinc/75/28/65/530752865.db2.gz HHBOZNXYZNYLTJ-VXGBXAGGSA-N 0 3 390.531 0.479 20 0 GCADHN COCCNCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000418209018 530753701 /nfs/dbraw/zinc/75/37/01/530753701.db2.gz QYZSGAGLRRWJMG-CYBMUJFWSA-N 0 3 390.531 0.436 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)NCC1(SC)CCN(C)CC1 ZINC000581105010 530754101 /nfs/dbraw/zinc/75/41/01/530754101.db2.gz LESZMUDUTLSDCF-UHFFFAOYSA-N 0 3 380.580 0.785 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)CCOc3cccc(Br)c3)CCN2C1=O ZINC000581141866 530754795 /nfs/dbraw/zinc/75/47/95/530754795.db2.gz CMAULSNPXQYUTK-OCCSQVGLSA-N 0 3 382.258 0.988 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)[C@@H]2C1 ZINC000371561617 530754912 /nfs/dbraw/zinc/75/49/12/530754912.db2.gz JMUIRCWJRSCWRL-ZIAGYGMSSA-N 0 3 376.548 0.101 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)CCN2C1=O ZINC000582312402 530758535 /nfs/dbraw/zinc/75/85/35/530758535.db2.gz WWDNCBPTQFPWKP-PRHODGIISA-N 0 3 381.351 0.777 20 0 GCADHN COCC[C@H](C)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000641600187 530759659 /nfs/dbraw/zinc/75/96/59/530759659.db2.gz HDFVFNIBLSHPOY-XHSDSOJGSA-N 0 3 377.551 0.908 20 0 GCADHN COCC1(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000641599472 530760416 /nfs/dbraw/zinc/76/04/16/530760416.db2.gz BEFIJZOCKUCKKJ-CABCVRRESA-N 0 3 375.535 0.662 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)C[C@H]1CCOC1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000641599677 530760443 /nfs/dbraw/zinc/76/04/43/530760443.db2.gz YOMDFWZCAADSSY-JYJNAYRXSA-N 0 3 375.535 0.520 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Cl ZINC000581677950 530762106 /nfs/dbraw/zinc/76/21/06/530762106.db2.gz UVLICSQHGCMWBV-TVQRCGJNSA-N 0 3 387.845 0.059 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000477560108 530745364 /nfs/dbraw/zinc/74/53/64/530745364.db2.gz PIWNYRCGUOANCE-ZBFHGGJFSA-N 0 3 389.543 0.744 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000370672462 530745788 /nfs/dbraw/zinc/74/57/88/530745788.db2.gz FDNWAJURYFJWTP-VXGBXAGGSA-N 0 3 391.490 0.817 20 0 GCADHN Cn1cc([C@@H]2CN(CC(=O)Nc3ccc(Br)cn3)C[C@H]2N)cn1 ZINC000579843355 530748138 /nfs/dbraw/zinc/74/81/38/530748138.db2.gz CXHAQQLPJHCOTD-QWHCGFSZSA-N 0 3 379.262 0.943 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1F ZINC000579914519 530748267 /nfs/dbraw/zinc/74/82/67/530748267.db2.gz OEMBSTBCOGSFNC-UHFFFAOYSA-N 0 3 375.466 0.726 20 0 GCADHN COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371216048 530749032 /nfs/dbraw/zinc/74/90/32/530749032.db2.gz PMGJPBNHIUQNAI-HNNXBMFYSA-N 0 3 375.535 0.616 20 0 GCADHN [NH3+]C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000418159964 530749074 /nfs/dbraw/zinc/74/90/74/530749074.db2.gz RRTVSDXJUMMJFM-NSHDSACASA-N 0 3 394.856 0.127 20 0 GCADHN [NH3+]C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000418159960 530749199 /nfs/dbraw/zinc/74/91/99/530749199.db2.gz RRTVSDXJUMMJFM-LLVKDONJSA-N 0 3 394.856 0.127 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)CCS(C)(=O)=O ZINC000480804115 530770567 /nfs/dbraw/zinc/77/05/67/530770567.db2.gz MWYUHCDDQDJIKV-LLVKDONJSA-N 0 3 380.536 0.163 20 0 GCADHN CC(=O)Nc1nc(CS(=O)(=O)C(C)C(=O)NC[C@H]2CCCO2)cs1 ZINC000642533336 530772180 /nfs/dbraw/zinc/77/21/80/530772180.db2.gz FGUANNLDBDXGOH-BXKDBHETSA-N 0 3 375.472 0.700 20 0 GCADHN CC(=O)Nc1nc(CS(=O)(=O)C(C)C(=O)NC[C@@H]2CCCO2)cs1 ZINC000642533339 530772511 /nfs/dbraw/zinc/77/25/11/530772511.db2.gz FGUANNLDBDXGOH-SKDRFNHKSA-N 0 3 375.472 0.700 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC(C)(C)CS(C)(=O)=O ZINC000480897485 530772706 /nfs/dbraw/zinc/77/27/06/530772706.db2.gz LAVRWPFJYWSBMS-UHFFFAOYSA-N 0 3 380.536 0.163 20 0 GCADHN CCS(=O)(=O)NCCNC[C@@H](O)COc1ccc(Br)cc1 ZINC000390403064 530773203 /nfs/dbraw/zinc/77/32/03/530773203.db2.gz UHWGLMJQKNDYLI-GFCCVEGCSA-N 0 3 381.292 0.718 20 0 GCADHN CC(C(=O)NC1CCCCC1)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481479163 530778327 /nfs/dbraw/zinc/77/83/27/530778327.db2.gz JQRUUZWBDRJFEK-NSHDSACASA-N 0 3 388.515 0.986 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1Cl ZINC000045295468 530779300 /nfs/dbraw/zinc/77/93/00/530779300.db2.gz IXOGMRQJYDCECX-JQWIXIFHSA-N 0 3 379.887 0.947 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000045282811 530779468 /nfs/dbraw/zinc/77/94/68/530779468.db2.gz JRLZBHIDXNDHMR-GXFFZTMASA-N 0 3 379.887 0.947 20 0 GCADHN CC(C(=O)N(CCN(C)C)C[C@H]1CCCO1)S(=O)(=O)C1CCOCC1 ZINC000481802055 530781487 /nfs/dbraw/zinc/78/14/87/530781487.db2.gz BKHZGIGSUAXUCT-HUUCEWRRSA-N 0 3 376.519 0.538 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000582421419 530784639 /nfs/dbraw/zinc/78/46/39/530784639.db2.gz CAYLICPUBJWIFT-PWSUYJOCSA-N 0 3 377.388 0.804 20 0 GCADHN CC(C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)S(=O)(=O)C1CCOCC1 ZINC000482838498 530786565 /nfs/dbraw/zinc/78/65/65/530786565.db2.gz LVGGDKBREZZVRG-VHDGCEQUSA-N 0 3 393.527 0.537 20 0 GCADHN CN(C)[C@@]1(CNC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CCSC1 ZINC000482813258 530786659 /nfs/dbraw/zinc/78/66/59/530786659.db2.gz FUYVMWPBGUZOJO-SWLSCSKDSA-N 0 3 387.531 0.802 20 0 GCADHN CC(C)[C@H](CNC(=O)C(C)S(=O)(=O)C1CCOCC1)N1CCOCC1 ZINC000480420973 530765001 /nfs/dbraw/zinc/76/50/01/530765001.db2.gz XXDAHQOYHCBPRT-ZBFHGGJFSA-N 0 3 376.519 0.442 20 0 GCADHN CC(C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000480453627 530765688 /nfs/dbraw/zinc/76/56/88/530765688.db2.gz MCTYCQRXLGGZGJ-RBSFLKMASA-N 0 3 376.519 0.584 20 0 GCADHN CC(C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000480453628 530765814 /nfs/dbraw/zinc/76/58/14/530765814.db2.gz MCTYCQRXLGGZGJ-ZNMIVQPWSA-N 0 3 376.519 0.584 20 0 GCADHN CN1CCCN(CCCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000641647416 530766851 /nfs/dbraw/zinc/76/68/51/530766851.db2.gz MTGPRQXYCDAFKB-UHFFFAOYSA-N 0 3 389.543 0.396 20 0 GCADHN C[NH+](C)[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1O ZINC000655093266 530800306 /nfs/dbraw/zinc/80/03/06/530800306.db2.gz GGYKVAHLFKVTKB-RYUDHWBXSA-N 0 3 396.296 0.405 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000375500883 530802376 /nfs/dbraw/zinc/80/23/76/530802376.db2.gz ZAPVUOWKZYXKCM-HOTGVXAUSA-N 0 3 375.535 0.496 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000618299839 530805412 /nfs/dbraw/zinc/80/54/12/530805412.db2.gz CBBMDSQTGLEGAH-UHFFFAOYSA-N 0 3 390.893 0.079 20 0 GCADHN CN(C)CCOCCNC(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000486519778 530805620 /nfs/dbraw/zinc/80/56/20/530805620.db2.gz PTOKCXRTBKBTBH-UHFFFAOYSA-N 0 3 376.454 0.776 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)N[C@@H](CO)CN2CCCC2)ccc1Cl ZINC000646220159 530788381 /nfs/dbraw/zinc/78/83/81/530788381.db2.gz JKAOIZNCONUHHZ-GFCCVEGCSA-N 0 3 375.878 0.898 20 0 GCADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)C[C@H]1N1CCCC1 ZINC000483410584 530789786 /nfs/dbraw/zinc/78/97/86/530789786.db2.gz QZBNNQXXNQOMEP-CABCVRRESA-N 0 3 393.575 0.369 20 0 GCADHN COCCN(C)CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000068337049 530793776 /nfs/dbraw/zinc/79/37/76/530793776.db2.gz SGOCIQIRSXZPIS-UHFFFAOYSA-N 0 3 377.894 0.655 20 0 GCADHN CC(C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000068436726 530794026 /nfs/dbraw/zinc/79/40/26/530794026.db2.gz PMQXJAGDUVZIKR-LBPRGKRZSA-N 0 3 377.484 0.751 20 0 GCADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000627295921 530806949 /nfs/dbraw/zinc/80/69/49/530806949.db2.gz QZWNINGMIFZVPD-LBPRGKRZSA-N 0 3 383.290 0.951 20 0 GCADHN CCCCN(C(=O)CN[C@@H]1CCOC[C@@H]1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000484648018 530794571 /nfs/dbraw/zinc/79/45/71/530794571.db2.gz ZMKAYUOBTFUVQH-XHSDSOJGSA-N 0 3 376.519 0.586 20 0 GCADHN C[NH+](C)CCOC1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000485137106 530796836 /nfs/dbraw/zinc/79/68/36/530796836.db2.gz DVPBNYYAHRCDHW-UHFFFAOYSA-N 0 3 389.543 0.986 20 0 GCADHN C[C@H]1CN(CCCNC(=O)N2CCC(CS(C)(=O)=O)CC2)CCCO1 ZINC000490390625 530827804 /nfs/dbraw/zinc/82/78/04/530827804.db2.gz UJODDUYXKGNGBG-HNNXBMFYSA-N 0 3 375.535 0.954 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377769232 530829510 /nfs/dbraw/zinc/82/95/10/530829510.db2.gz BGGYBWQKYPOGIK-ZIAGYGMSSA-N 0 3 387.889 0.598 20 0 GCADHN C[C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)N1CCC(C)CC1 ZINC000620821001 530830281 /nfs/dbraw/zinc/83/02/81/530830281.db2.gz JCUGIDSSPVSRQB-OAHLLOKOSA-N 0 3 375.539 0.240 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCN(CC)C1 ZINC000490738941 530830458 /nfs/dbraw/zinc/83/04/58/530830458.db2.gz GILBUAMHFNMEBS-CQSZACIVSA-N 0 3 389.543 0.995 20 0 GCADHN COCCCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2cnn(C)c2)n1 ZINC000620998292 530831485 /nfs/dbraw/zinc/83/14/85/530831485.db2.gz KHBJYBMMNVHEON-LLVKDONJSA-N 0 3 386.499 1.000 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000491261211 530832246 /nfs/dbraw/zinc/83/22/46/530832246.db2.gz YDFJYPVIPLCMLA-ZDUSSCGKSA-N 0 3 387.527 0.747 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000378010991 530832705 /nfs/dbraw/zinc/83/27/05/530832705.db2.gz WZZRESFOFIUTMK-GHMZBOCLSA-N 0 3 377.463 0.427 20 0 GCADHN CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000491499834 530833071 /nfs/dbraw/zinc/83/30/71/530833071.db2.gz IBKHHKDSDNXGGV-ZDUSSCGKSA-N 0 3 375.516 0.557 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000378085092 530833508 /nfs/dbraw/zinc/83/35/08/530833508.db2.gz GPKLCHFORVXRAF-UHFFFAOYSA-N 0 3 393.575 0.420 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)C1 ZINC000656334842 530834700 /nfs/dbraw/zinc/83/47/00/530834700.db2.gz HIBOBKXJJYMVFF-CYBMUJFWSA-N 0 3 389.543 0.993 20 0 GCADHN CCCCCNC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000492078028 530835619 /nfs/dbraw/zinc/83/56/19/530835619.db2.gz GLXOQDIXPCVJFI-NSHDSACASA-N 0 3 376.504 0.843 20 0 GCADHN COc1cccc(CNC(=O)C(C)S(=O)(=O)CCCS(C)(=O)=O)c1 ZINC000492126475 530835692 /nfs/dbraw/zinc/83/56/92/530835692.db2.gz IZGDWFUGNODBLI-LBPRGKRZSA-N 0 3 377.484 0.549 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(Br)nc1 ZINC000378182528 530835703 /nfs/dbraw/zinc/83/57/03/530835703.db2.gz FWAFVIBOFWQKBG-RYUDHWBXSA-N 0 3 383.246 0.762 20 0 GCADHN CC(C(=O)N[C@H]1CCOc2ccccc21)S(=O)(=O)CCCS(C)(=O)=O ZINC000492129955 530836165 /nfs/dbraw/zinc/83/61/65/530836165.db2.gz XXMWUDRKPWVALC-JSGCOSHPSA-N 0 3 389.495 0.864 20 0 GCADHN C[C@@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000375844370 530807491 /nfs/dbraw/zinc/80/74/91/530807491.db2.gz CRBWNWIJDHEYJV-GFCCVEGCSA-N 0 3 387.527 0.941 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000486920737 530809253 /nfs/dbraw/zinc/80/92/53/530809253.db2.gz UGYQGRUVQSZASG-NSHDSACASA-N 0 3 376.445 0.790 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000487108882 530810986 /nfs/dbraw/zinc/81/09/86/530810986.db2.gz GMMNNUKSIKHMQN-YJNKXOJESA-N 0 3 377.576 0.989 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CCCN2C)C1 ZINC000487359236 530812680 /nfs/dbraw/zinc/81/26/80/530812680.db2.gz QHQFOXKMPHHLDY-HUUCEWRRSA-N 0 3 376.523 0.163 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H]([C@@H]2CCOC2)C1)S(C)(=O)=O ZINC000378239610 530836384 /nfs/dbraw/zinc/83/63/84/530836384.db2.gz WZVCJBDIOBEWFK-HZPDHXFCSA-N 0 3 375.535 0.521 20 0 GCADHN CCC1CCC(N(CCO)CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000488248667 530816897 /nfs/dbraw/zinc/81/68/97/530816897.db2.gz XRIWRIALRDPDFQ-UHFFFAOYSA-N 0 3 377.551 0.647 20 0 GCADHN CS[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)C[C@@H]1N(C)C ZINC000619538639 530819253 /nfs/dbraw/zinc/81/92/53/530819253.db2.gz HASJXBILSANXEM-QWHCGFSZSA-N 0 3 387.531 0.841 20 0 GCADHN CS[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)C[C@@H]1N(C)C ZINC000619538640 530819364 /nfs/dbraw/zinc/81/93/64/530819364.db2.gz HASJXBILSANXEM-STQMWFEESA-N 0 3 387.531 0.841 20 0 GCADHN COC(=O)C1(CS(=O)(=O)NCC2CCN(CCO)CC2)CCCCC1 ZINC000489423947 530822579 /nfs/dbraw/zinc/82/25/79/530822579.db2.gz KGTDXCMDRZYLJT-UHFFFAOYSA-N 0 3 376.519 0.734 20 0 GCADHN COCCCN(C)CCNC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000489403485 530822618 /nfs/dbraw/zinc/82/26/18/530822618.db2.gz RWVQDKIIWDQVPO-UHFFFAOYSA-N 0 3 375.535 0.955 20 0 GCADHN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@]1(F)CCNC1 ZINC000377150247 530822764 /nfs/dbraw/zinc/82/27/64/530822764.db2.gz FCKPHHHLBBYRKX-HNNXBMFYSA-N 0 3 375.397 0.487 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000173517880 530848307 /nfs/dbraw/zinc/84/83/07/530848307.db2.gz TURLYTVQYUTPFI-UHFFFAOYSA-N 0 3 397.273 0.518 20 0 GCADHN C[C@H](CO)CCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000582780742 530850889 /nfs/dbraw/zinc/85/08/89/530850889.db2.gz DZJCWFSAPFAVFZ-AWEZNQCLSA-N 0 3 392.543 0.709 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)CCN2C1=O ZINC000582797633 530852763 /nfs/dbraw/zinc/85/27/63/530852763.db2.gz VIWOPBWSBAVHTE-MWLCHTKSSA-N 0 3 381.351 0.777 20 0 GCADHN Cn1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc(Br)c1=O ZINC000179644541 530852800 /nfs/dbraw/zinc/85/28/00/530852800.db2.gz AILNYKWEFWFIAH-GFCCVEGCSA-N 0 3 397.273 0.783 20 0 GCADHN CCCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@H]1CCN(C)C1 ZINC000646397631 530855045 /nfs/dbraw/zinc/85/50/45/530855045.db2.gz LVWLLBCNJMJYPS-RYUDHWBXSA-N 0 3 388.456 0.934 20 0 GCADHN CN1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)[C@H](CN)C1 ZINC000582903923 530856163 /nfs/dbraw/zinc/85/61/63/530856163.db2.gz RMVRGFRGOQDQGJ-OLZOCXBDSA-N 0 3 395.301 0.903 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc(F)c1Cl ZINC000499910379 530857491 /nfs/dbraw/zinc/85/74/91/530857491.db2.gz WTZDJAMWGJCXNE-UHFFFAOYSA-N 0 3 375.828 0.817 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CCCCS1(=O)=O ZINC000530433085 530867243 /nfs/dbraw/zinc/86/72/43/530867243.db2.gz CYFAYPIJEYUMJQ-CQSZACIVSA-N 0 3 392.547 0.307 20 0 GCADHN CC(C)(C)N1CC[C@H](CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000657032782 530868117 /nfs/dbraw/zinc/86/81/17/530868117.db2.gz FDRZBZWTOYPRDG-GFCCVEGCSA-N 0 3 375.516 0.733 20 0 GCADHN C[C@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)N1CCCC[C@@H]1C ZINC000502173347 530873420 /nfs/dbraw/zinc/87/34/20/530873420.db2.gz QRKGSBAYXLEVTE-LSDHHAIUSA-N 0 3 392.591 0.927 20 0 GCADHN CC(C)N(CCCNC(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1)S(C)(=O)=O ZINC000378649380 530841188 /nfs/dbraw/zinc/84/11/88/530841188.db2.gz MAMZHTXYXIOZKZ-SJORKVTESA-N 0 3 375.535 0.710 20 0 GCADHN CO[C@@H](CS(=O)(=O)NCCCCN1CCC[C@H]1CO)C1CCOCC1 ZINC000645558316 530841669 /nfs/dbraw/zinc/84/16/69/530841669.db2.gz QOSHDDUEJQSRNJ-IRXDYDNUSA-N 0 3 378.535 0.584 20 0 GCADHN CNC(=O)c1cccc(NC(=O)NC[C@]2(O)CCN(C)C2)c1Br ZINC000494552050 530845175 /nfs/dbraw/zinc/84/51/75/530845175.db2.gz HOQFMEFJSNJJIF-OAHLLOKOSA-N 0 3 385.262 0.997 20 0 GCADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000627315874 530845795 /nfs/dbraw/zinc/84/57/95/530845795.db2.gz SMMLIYNHNUWZBR-CYBMUJFWSA-N 0 3 397.273 0.478 20 0 GCADHN CCCN(C(=O)[C@H](C)NCCC(C)(C)C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000506660592 530899818 /nfs/dbraw/zinc/89/98/18/530899818.db2.gz BVLFHHPYLPTSAS-UONOGXRCSA-N 0 3 376.519 0.980 20 0 GCADHN CN(CC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1)S(C)(=O)=O ZINC000670396675 530899902 /nfs/dbraw/zinc/89/99/02/530899902.db2.gz DHOJYBGTCBZLRS-HNNXBMFYSA-N 0 3 377.551 0.598 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000508333576 530911553 /nfs/dbraw/zinc/91/15/53/530911553.db2.gz NCZXKKLWKCVMEA-AWEZNQCLSA-N 0 3 394.607 0.190 20 0 GCADHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000480735467 530901650 /nfs/dbraw/zinc/90/16/50/530901650.db2.gz FZYLUGBSYOYBDM-ZDUSSCGKSA-N 0 3 377.532 0.946 20 0 GCADHN NS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000646576080 530908469 /nfs/dbraw/zinc/90/84/69/530908469.db2.gz TWEQZMJPUKHYFT-KGLIPLIRSA-N 0 3 386.543 0.917 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000621855477 530878228 /nfs/dbraw/zinc/87/82/28/530878228.db2.gz JJDHTRQYQGYSJH-UHFFFAOYSA-N 0 3 397.273 0.930 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000657161707 530881608 /nfs/dbraw/zinc/88/16/08/530881608.db2.gz QDHHVEVEGGQAJG-CQSZACIVSA-N 0 3 381.564 0.594 20 0 GCADHN CCN(CC)CCN(C(=O)CSc1nnc(C)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000503495255 530881892 /nfs/dbraw/zinc/88/18/92/530881892.db2.gz CZVRDNSVCNJRDS-CYBMUJFWSA-N 0 3 389.547 0.563 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)CS(=O)(=O)CC)CC1 ZINC000503581738 530882465 /nfs/dbraw/zinc/88/24/65/530882465.db2.gz QVVSVQQKUSTZDR-CQSZACIVSA-N 0 3 376.523 0.005 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)ccc1Br ZINC000504520760 530890525 /nfs/dbraw/zinc/89/05/25/530890525.db2.gz XUHAJWHTMCRIPW-HNNXBMFYSA-N 0 3 388.262 0.825 20 0 GCADHN CC(C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349575883 530895125 /nfs/dbraw/zinc/89/51/25/530895125.db2.gz PQUYOWASTHQSJQ-UHFFFAOYSA-N 0 3 376.504 0.386 20 0 GCADHN Cc1c(F)c(Br)ccc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000657518725 530896114 /nfs/dbraw/zinc/89/61/14/530896114.db2.gz PCVDPXKAJNVMHF-VIFPVBQESA-N 0 3 376.226 0.874 20 0 GCADHN COCCNCCNC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000418511337 530930245 /nfs/dbraw/zinc/93/02/45/530930245.db2.gz RHRNBNYIDGFHMV-HNNXBMFYSA-N 0 3 376.523 0.258 20 0 GCADHN COC(=O)[C@H](CC(C)C)NC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000510792260 530930253 /nfs/dbraw/zinc/93/02/53/530930253.db2.gz RBAAAYPPQMTZIB-RDBSUJKOSA-N 0 3 377.507 0.140 20 0 GCADHN CCCN1CCC[C@H]1CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000510971322 530931572 /nfs/dbraw/zinc/93/15/72/530931572.db2.gz VAIJGYUSGMKCCP-HNNXBMFYSA-N 0 3 389.543 0.759 20 0 GCADHN O=C(NC[C@@H](CO)Cc1cccc(Br)c1)NC[C@@H]1CNCCO1 ZINC000418759529 530934054 /nfs/dbraw/zinc/93/40/54/530934054.db2.gz GGSXWOUMQDDJQH-ZFWWWQNUSA-N 0 3 386.290 0.888 20 0 GCADHN CC(C(=O)NCC(F)(F)F)S(=O)(=O)Cc1nnnn1-c1ccccc1 ZINC000122991210 530916739 /nfs/dbraw/zinc/91/67/39/530916739.db2.gz IMOVYOVKSCBCNT-VIFPVBQESA-N 0 3 377.348 0.644 20 0 GCADHN Nc1nc(N)nc(NC2CCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000624038549 530917344 /nfs/dbraw/zinc/91/73/44/530917344.db2.gz MAMGYWGBXGOQQF-UHFFFAOYSA-N 0 3 378.278 0.958 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCCN(C)S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000584716971 530922144 /nfs/dbraw/zinc/92/21/44/530922144.db2.gz PZDZTORAPVGBRL-ZNMIVQPWSA-N 0 3 391.559 0.428 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000610925044 530928141 /nfs/dbraw/zinc/92/81/41/530928141.db2.gz IKOLKBJZGYCXSV-GJZGRUSLSA-N 0 3 393.575 0.417 20 0 GCADHN O=C(NCCc1nc2cc(Cl)ccc2s1)C(=O)NC[C@H]1CNCCO1 ZINC000419337605 530957784 /nfs/dbraw/zinc/95/77/84/530957784.db2.gz RCEPIJRHGIFVPF-LLVKDONJSA-N 0 3 382.873 0.713 20 0 GCADHN CC(C)O[C@@]1(CS(=O)(=O)NCCCCN2CCN(C)CC2)CCOC1 ZINC000659888307 530958234 /nfs/dbraw/zinc/95/82/34/530958234.db2.gz GVHJMDUJDHPAKA-KRWDZBQOSA-N 0 3 377.551 0.518 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000419367154 530958350 /nfs/dbraw/zinc/95/83/50/530958350.db2.gz WSGOLYBOVKYXQQ-NSHDSACASA-N 0 3 399.289 0.491 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)s1 ZINC000419415848 530958419 /nfs/dbraw/zinc/95/84/19/530958419.db2.gz NVUNBBFZALCFFZ-ZDUSSCGKSA-N 0 3 387.527 0.792 20 0 GCADHN NC[C@@H]1CCCN1C(=O)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000419440184 530959056 /nfs/dbraw/zinc/95/90/56/530959056.db2.gz RARVVYIMUBPIRO-ZDUSSCGKSA-N 0 3 397.273 0.245 20 0 GCADHN CN(CCNS(=O)(=O)CCCN1CCCC1)S(=O)(=O)c1cccs1 ZINC000632126057 530960173 /nfs/dbraw/zinc/96/01/73/530960173.db2.gz FVUUDWBTPQRHTL-UHFFFAOYSA-N 0 3 395.572 0.774 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)CCCN2CCCC2)s1 ZINC000632127003 530960191 /nfs/dbraw/zinc/96/01/91/530960191.db2.gz JASKVQDKLQRMPO-UHFFFAOYSA-N 0 3 395.572 0.740 20 0 GCADHN CN(CCN)C(=O)C(=O)NCCc1ccc(I)s1 ZINC000419589974 530960391 /nfs/dbraw/zinc/96/03/91/530960391.db2.gz VWDJOPPFFBMJJY-UHFFFAOYSA-N 0 3 381.239 0.429 20 0 GCADHN CC(C)C[C@H](CN)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000419786921 530962146 /nfs/dbraw/zinc/96/21/46/530962146.db2.gz RNNNKBQLSQDHND-GFCCVEGCSA-N 0 3 389.905 0.849 20 0 GCADHN CC(C)(CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(Br)cc1 ZINC000419817744 530962491 /nfs/dbraw/zinc/96/24/91/530962491.db2.gz MBURCCYTGZFQOA-AWEZNQCLSA-N 0 3 398.301 0.948 20 0 GCADHN CN(C(=O)C(=O)NC[C@@H](N)C1CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000419871427 530963698 /nfs/dbraw/zinc/96/36/98/530963698.db2.gz SWXNQBTXSVBMEP-CHWSQXEVSA-N 0 3 385.873 0.480 20 0 GCADHN CN(C(=O)C(=O)NC[C@H](N)C1CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000419871429 530963936 /nfs/dbraw/zinc/96/39/36/530963936.db2.gz SWXNQBTXSVBMEP-QWHCGFSZSA-N 0 3 385.873 0.480 20 0 GCADHN CN(CCOCC[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000627031218 530964545 /nfs/dbraw/zinc/96/45/45/530964545.db2.gz SBWVNKDFYMNVFZ-UHFFFAOYSA-N 0 3 396.872 0.374 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000420015718 530964673 /nfs/dbraw/zinc/96/46/73/530964673.db2.gz QWXYSOHGWRTXMW-SNVBAGLBSA-N 0 3 389.319 0.618 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000418816155 530936741 /nfs/dbraw/zinc/93/67/41/530936741.db2.gz YASFYBSXPJCQGV-MRVPVSSYSA-N 0 3 382.218 0.579 20 0 GCADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000418815269 530936974 /nfs/dbraw/zinc/93/69/74/530936974.db2.gz WLOZBHCRQUQMHN-GXFFZTMASA-N 0 3 388.237 0.340 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@H](NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000511710417 530939468 /nfs/dbraw/zinc/93/94/68/530939468.db2.gz PMPYXYUZJXGNCM-RWMBFGLXSA-N 0 3 381.541 0.828 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@@H](NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000511710415 530939601 /nfs/dbraw/zinc/93/96/01/530939601.db2.gz PMPYXYUZJXGNCM-FRRDWIJNSA-N 0 3 381.541 0.828 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173269504 530942696 /nfs/dbraw/zinc/94/26/96/530942696.db2.gz HUZQENCPCFLWQH-LBPRGKRZSA-N 0 3 399.289 0.680 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173269504 530942698 /nfs/dbraw/zinc/94/26/98/530942698.db2.gz HUZQENCPCFLWQH-LBPRGKRZSA-N 0 3 399.289 0.680 20 0 GCADHN C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418847407 530942697 /nfs/dbraw/zinc/94/26/97/530942697.db2.gz VIZPIXDXYKFQKV-RISCZKNCSA-N 0 3 384.274 0.601 20 0 GCADHN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)N[C@H](C)CN ZINC000419994134 530965054 /nfs/dbraw/zinc/96/50/54/530965054.db2.gz GAUUYNGFKQCIDT-SNVBAGLBSA-N 0 3 389.283 0.922 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000418866535 530946301 /nfs/dbraw/zinc/94/63/01/530946301.db2.gz NUWABJVNRZJBRT-OCCSQVGLSA-N 0 3 395.301 0.998 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000418866533 530946703 /nfs/dbraw/zinc/94/67/03/530946703.db2.gz NUWABJVNRZJBRT-GXTWGEPZSA-N 0 3 395.301 0.998 20 0 GCADHN CN(C(=O)C(=O)N[C@@H](CN)C1CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000420053998 530965250 /nfs/dbraw/zinc/96/52/50/530965250.db2.gz FEDJFDULYAOIKT-QWHCGFSZSA-N 0 3 385.873 0.480 20 0 GCADHN O=C(NCc1cc(Br)cc2c1OCC2)C(=O)N1CCCNCC1 ZINC000322089070 530949911 /nfs/dbraw/zinc/94/99/11/530949911.db2.gz DUPUBOHQYXEADA-UHFFFAOYSA-N 0 3 382.258 0.822 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000418919816 530951106 /nfs/dbraw/zinc/95/11/06/530951106.db2.gz AVCGQJYLENMQSO-CYBMUJFWSA-N 0 3 397.273 0.747 20 0 GCADHN NC[C@@H]1CCCN1C(=O)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000418922076 530951525 /nfs/dbraw/zinc/95/15/25/530951525.db2.gz DIPMBCARKUTJCT-ZDUSSCGKSA-N 0 3 397.273 0.844 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCc2cc(Br)ccc21 ZINC000418951305 530951723 /nfs/dbraw/zinc/95/17/23/530951723.db2.gz XCIZLQHHSRKOJN-JSGCOSHPSA-N 0 3 382.258 0.657 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000418957471 530951736 /nfs/dbraw/zinc/95/17/36/530951736.db2.gz ZSRKBEFVTGWOTN-JTQLQIEISA-N 0 3 385.262 0.700 20 0 GCADHN NC[C@H]1CCCCN1C(=O)C(=O)NCCCCn1cc(Br)cn1 ZINC000418950295 530952005 /nfs/dbraw/zinc/95/20/05/530952005.db2.gz GUQDQBMLHSSAMH-CYBMUJFWSA-N 0 3 386.294 0.882 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000420038823 530965432 /nfs/dbraw/zinc/96/54/32/530965432.db2.gz KMTUWWFPKXTVDL-MRXNPFEDSA-N 0 3 386.290 0.998 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000420021240 530965437 /nfs/dbraw/zinc/96/54/37/530965437.db2.gz HGMDFSWYPPQUSH-SNVBAGLBSA-N 0 3 387.267 0.741 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000419051411 530953978 /nfs/dbraw/zinc/95/39/78/530953978.db2.gz GFMXAKYXMIWLRO-GFCCVEGCSA-N 0 3 386.290 0.849 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000631971769 530954028 /nfs/dbraw/zinc/95/40/28/530954028.db2.gz QACYTVXERPIPSV-PHIMTYICSA-N 0 3 377.463 0.712 20 0 GCADHN C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419059752 530954255 /nfs/dbraw/zinc/95/42/55/530954255.db2.gz YFVULIXIQAKLIJ-WCQYABFASA-N 0 3 384.274 0.601 20 0 GCADHN O=C(NCc1cccc(Br)c1Cl)C(=O)NC[C@H]1CNCCO1 ZINC000419059410 530954273 /nfs/dbraw/zinc/95/42/73/530954273.db2.gz XWPNACPQHNCRBX-SNVBAGLBSA-N 0 3 390.665 0.823 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000516695416 530954639 /nfs/dbraw/zinc/95/46/39/530954639.db2.gz ZKCXIXUACHYDEX-CABCVRRESA-N 0 3 375.539 0.383 20 0 GCADHN Cc1nc(-c2ccc(CCNC(=O)C(=O)N(CCN)CCO)s2)cs1 ZINC000419069108 530954680 /nfs/dbraw/zinc/95/46/80/530954680.db2.gz FUXNYTHMUFGTQE-UHFFFAOYSA-N 0 3 382.511 0.618 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000419072794 530954750 /nfs/dbraw/zinc/95/47/50/530954750.db2.gz BXQMLBCYBSFUFW-UHFFFAOYSA-N 0 3 384.274 0.377 20 0 GCADHN CC(C)(CNC(=O)C(=O)N(CCN)CCO)c1ccccc1Br ZINC000419195069 530956975 /nfs/dbraw/zinc/95/69/75/530956975.db2.gz XOICRCRBOCELGP-UHFFFAOYSA-N 0 3 386.290 0.623 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 ZINC000516916332 530957001 /nfs/dbraw/zinc/95/70/01/530957001.db2.gz RPLFGJUBKSUJIZ-CQSZACIVSA-N 0 3 387.527 0.701 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@@](=O)CC1(C)C ZINC000192928802 530973528 /nfs/dbraw/zinc/97/35/28/530973528.db2.gz UZDFZOCQJXLILP-HSZRJFAPSA-N 0 3 376.548 0.593 20 0 GCADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)CN(C)S(C)(=O)=O ZINC000522107328 530973553 /nfs/dbraw/zinc/97/35/53/530973553.db2.gz WNQWFGUNEQMERX-CQSZACIVSA-N 0 3 377.507 0.144 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000522231040 530975205 /nfs/dbraw/zinc/97/52/05/530975205.db2.gz GHFOWDQPXCDTRC-HUUCEWRRSA-N 0 3 376.523 0.211 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cc(C)cs2)CC1=O ZINC000632727180 530980338 /nfs/dbraw/zinc/98/03/38/530980338.db2.gz VBHGARXTOXIKDW-ZDUSSCGKSA-N 0 3 375.516 0.514 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000523320793 530980658 /nfs/dbraw/zinc/98/06/58/530980658.db2.gz KBWIPVJJZDAVMS-CQSZACIVSA-N 0 3 378.564 0.396 20 0 GCADHN CN1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000571802479 530981521 /nfs/dbraw/zinc/98/15/21/530981521.db2.gz SZSFTXWDWJBAQD-SNVBAGLBSA-N 0 3 395.312 0.373 20 0 GCADHN CN(C)CCn1nnnc1SCc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000571893457 530982505 /nfs/dbraw/zinc/98/25/05/530982505.db2.gz CFIYMOSHJJCFIU-UHFFFAOYSA-N 0 3 376.895 0.828 20 0 GCADHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Br ZINC000572061079 530984533 /nfs/dbraw/zinc/98/45/33/530984533.db2.gz XLGNFVMEQXSIHC-YPMHNXCESA-N 0 3 397.273 0.911 20 0 GCADHN CN(C)CCCS(=O)(=O)NCCCNS(=O)(=O)c1ccccc1Cl ZINC000632301552 530965947 /nfs/dbraw/zinc/96/59/47/530965947.db2.gz FOPRNWJTQVSBTB-UHFFFAOYSA-N 0 3 397.950 0.880 20 0 GCADHN COCCNCCNC(=O)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000420188897 530966255 /nfs/dbraw/zinc/96/62/55/530966255.db2.gz TXMLTFFMAYPHHF-AWEZNQCLSA-N 0 3 399.289 0.860 20 0 GCADHN COCCN(CCN(C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000521484311 530966930 /nfs/dbraw/zinc/96/69/30/530966930.db2.gz SOTAUENYXJPJPQ-UHFFFAOYSA-N 0 3 391.921 0.997 20 0 GCADHN CN(Cc1csc(Br)c1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420198946 530967049 /nfs/dbraw/zinc/96/70/49/530967049.db2.gz MWTBLXFDEVBAAQ-JTQLQIEISA-N 0 3 376.276 0.574 20 0 GCADHN CN(CCN(C)S(=O)(=O)c1cnn(CC(F)F)c1)C1CCN(C)CC1 ZINC000186555601 530967136 /nfs/dbraw/zinc/96/71/36/530967136.db2.gz XEPQZKXDTJDKGQ-UHFFFAOYSA-N 0 3 379.477 0.795 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](N)CCSC)CC2)cc1 ZINC000262213249 530967693 /nfs/dbraw/zinc/96/76/93/530967693.db2.gz LIGSNHQRVQXGIT-OAHLLOKOSA-N 0 3 387.527 0.609 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000420465240 530968266 /nfs/dbraw/zinc/96/82/66/530968266.db2.gz YGBSEMHCBHPVNM-MNOVXSKESA-N 0 3 379.479 0.993 20 0 GCADHN CCc1ccccc1[C@H](N)CNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000420467418 530968612 /nfs/dbraw/zinc/96/86/12/530968612.db2.gz SGXHUAIFJRPLBA-OAHLLOKOSA-N 0 3 377.532 0.450 20 0 GCADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000632368132 530968771 /nfs/dbraw/zinc/96/87/71/530968771.db2.gz CKBIWHLMYHBUPD-OCCSQVGLSA-N 0 3 387.527 0.840 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)[C@H]2C)cc1C ZINC000632369997 530969034 /nfs/dbraw/zinc/96/90/34/530969034.db2.gz TZYKPHQTFZGWHR-TZMCWYRMSA-N 0 3 375.516 0.616 20 0 GCADHN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000420485298 530969488 /nfs/dbraw/zinc/96/94/88/530969488.db2.gz ZOKMKIHSNGXLHS-SNVBAGLBSA-N 0 3 382.360 0.759 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000190908370 530971183 /nfs/dbraw/zinc/97/11/83/530971183.db2.gz CDCNJPNVDKKWMO-GFCCVEGCSA-N 0 3 383.440 0.750 20 0 GCADHN O=S(=O)(CCCN1CCCC1)N1CCC(N2CCCS2(=O)=O)CC1 ZINC000632452771 530971521 /nfs/dbraw/zinc/97/15/21/530971521.db2.gz GUORNXMBXZCGOA-UHFFFAOYSA-N 0 3 379.548 0.302 20 0 GCADHN O=C(CN1CCNCC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000261866917 530991311 /nfs/dbraw/zinc/99/13/11/530991311.db2.gz RYESWCPSNPAHHT-UHFFFAOYSA-N 0 3 392.934 0.140 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](C[NH3+])C2CC2)c(Br)c1 ZINC000261981917 530991947 /nfs/dbraw/zinc/99/19/47/530991947.db2.gz CTTFTKGIPAQDTN-LLVKDONJSA-N 0 3 397.316 0.868 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000658778401 530992673 /nfs/dbraw/zinc/99/26/73/530992673.db2.gz NEYALMSCESYQSG-JTQLQIEISA-N 0 3 385.262 0.687 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1F ZINC000262122631 530993794 /nfs/dbraw/zinc/99/37/94/530993794.db2.gz KJHAHAGBAQOOKU-AWEZNQCLSA-N 0 3 379.479 0.991 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c(OC)c1 ZINC000262139882 530994624 /nfs/dbraw/zinc/99/46/24/530994624.db2.gz OXSJVYKPARJOKY-ZDUSSCGKSA-N 0 3 391.515 0.959 20 0 GCADHN CS(=O)(=O)C1(C(=O)N2CCN(C(=O)c3cccs3)CC2)CCNCC1 ZINC000262295490 530995670 /nfs/dbraw/zinc/99/56/70/530995670.db2.gz ZDLFIZNYRRZXJX-UHFFFAOYSA-N 0 3 385.511 0.199 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCn2cc(Br)cn2)n1 ZINC000659492551 530995715 /nfs/dbraw/zinc/99/57/15/530995715.db2.gz FVEIPVRNPUVVGR-UHFFFAOYSA-N 0 3 384.238 0.489 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)N ZINC000262202348 530995827 /nfs/dbraw/zinc/99/58/27/530995827.db2.gz DEZDFLZBLSMMAM-WCQYABFASA-N 0 3 376.500 0.989 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659910818 530997976 /nfs/dbraw/zinc/99/79/76/530997976.db2.gz UOQDDZWNEHTOES-SWLSCSKDSA-N 0 3 384.527 0.995 20 0 GCADHN CS(=O)(=O)C1(C(=O)N2CCN(C(=O)c3ccsc3)CC2)CCNCC1 ZINC000262512170 530998106 /nfs/dbraw/zinc/99/81/06/530998106.db2.gz JTFSYZGHTGDCQR-UHFFFAOYSA-N 0 3 385.511 0.199 20 0 GCADHN COc1ccc(Br)cc1CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572258203 530987631 /nfs/dbraw/zinc/98/76/31/530987631.db2.gz LRKBGVIVBWECLG-QWHCGFSZSA-N 0 3 382.258 0.771 20 0 GCADHN C[C@H]1CCN(CCNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000524721017 530988211 /nfs/dbraw/zinc/98/82/11/530988211.db2.gz YRPPXVVQVTUJDM-ZDUSSCGKSA-N 0 3 387.527 0.841 20 0 GCADHN COCCN(C)C[C@@H](O)CN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301060 530988840 /nfs/dbraw/zinc/98/88/40/530988840.db2.gz VXUPHTLLRAYMEP-IAGOWNOFSA-N 0 3 377.551 0.252 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000572287637 530988847 /nfs/dbraw/zinc/98/88/47/530988847.db2.gz AGTFVIBKKRRHOJ-JTQLQIEISA-N 0 3 396.296 0.766 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)cc1F ZINC000261687531 530989781 /nfs/dbraw/zinc/98/97/81/530989781.db2.gz HIZHLTGYEOPNJP-CQSZACIVSA-N 0 3 379.479 0.947 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c(OC)c1 ZINC000261809628 530990080 /nfs/dbraw/zinc/99/00/80/530990080.db2.gz ORQOFVMBFLITQZ-HNNXBMFYSA-N 0 3 391.515 0.816 20 0 GCADHN COCCNCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000261761788 530990261 /nfs/dbraw/zinc/99/02/61/530990261.db2.gz LNLHLZBEOONQKB-UHFFFAOYSA-N 0 3 375.878 0.409 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C[C@@H]1N1CCCC1 ZINC000614278377 531006616 /nfs/dbraw/zinc/00/66/16/531006616.db2.gz ZYOILWZLCOOWFF-QLFBSQMISA-N 0 3 375.560 0.839 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C[C@@H]1N1CCCC1 ZINC000614278380 531006741 /nfs/dbraw/zinc/00/67/41/531006741.db2.gz ZYOILWZLCOOWFF-SOUVJXGZSA-N 0 3 375.560 0.839 20 0 GCADHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)C1 ZINC000660635167 531008748 /nfs/dbraw/zinc/00/87/48/531008748.db2.gz ZTVJVFCPPUERJR-QLFBSQMISA-N 0 3 375.535 0.998 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CCN2C1=O ZINC000580452523 531011758 /nfs/dbraw/zinc/01/17/58/531011758.db2.gz XQCPZWPEHUMZSW-MWLCHTKSSA-N 0 3 381.351 0.777 20 0 GCADHN CN(C)CCOCCNC(=O)C(=O)NCCc1cccc(Br)c1 ZINC000422375391 531012699 /nfs/dbraw/zinc/01/26/99/531012699.db2.gz JNKWADOQPWBBQA-UHFFFAOYSA-N 0 3 386.290 0.802 20 0 GCADHN NC(=O)C1(NC[C@@H](O)COc2cc(F)cc(Br)c2)CCOCC1 ZINC000661595582 531016168 /nfs/dbraw/zinc/01/61/68/531016168.db2.gz SXUBGDSTBHHKFO-GFCCVEGCSA-N 0 3 391.237 0.952 20 0 GCADHN C[C@H]1CCCN(C(=O)C(=O)N(C)CCn2cc(Br)cn2)[C@@H]1CN ZINC000423738977 531018621 /nfs/dbraw/zinc/01/86/21/531018621.db2.gz QWADCLMIHJWTMI-WCQYABFASA-N 0 3 386.294 0.690 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000423726396 531018747 /nfs/dbraw/zinc/01/87/47/531018747.db2.gz UCOBZVDTBOHFGX-CYBMUJFWSA-N 0 3 397.317 0.899 20 0 GCADHN CCOCCS(=O)(=O)[N-]CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423977368 531019160 /nfs/dbraw/zinc/01/91/60/531019160.db2.gz INWCSRIJOGFCDG-UHFFFAOYSA-N 0 3 376.504 0.505 20 0 GCADHN O=C(COc1cccc(I)c1)NC[C@@H]1CNCCO1 ZINC000424008787 531019363 /nfs/dbraw/zinc/01/93/63/531019363.db2.gz WKTDUSHEEAPKJB-LBPRGKRZSA-N 0 3 376.194 0.775 20 0 GCADHN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CNCCO1 ZINC000423994701 531019477 /nfs/dbraw/zinc/01/94/77/531019477.db2.gz SVBLEHQBOIXQKB-NSHDSACASA-N 0 3 381.376 0.088 20 0 GCADHN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@H]1CNCCO1 ZINC000423991964 531019562 /nfs/dbraw/zinc/01/95/62/531019562.db2.gz NIEYVQQOKVELGF-DTWKUNHWSA-N 0 3 376.276 0.734 20 0 GCADHN CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423978391 531019591 /nfs/dbraw/zinc/01/95/91/531019591.db2.gz MKSWXDOEOYWLAV-UHFFFAOYSA-N 0 3 390.531 0.893 20 0 GCADHN [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000662452774 531021454 /nfs/dbraw/zinc/02/14/54/531021454.db2.gz MANBWKWQGNFFCY-NEPJUHHUSA-N 0 3 381.376 0.830 20 0 GCADHN N[C@@H]1C[C@@H]1C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000424115789 531021883 /nfs/dbraw/zinc/02/18/83/531021883.db2.gz VXQQIDBERGBCLW-ZMLRMANQSA-N 0 3 376.194 0.494 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662589473 531022442 /nfs/dbraw/zinc/02/24/42/531022442.db2.gz ZJVRSNCCZGBONU-LBPRGKRZSA-N 0 3 399.289 0.950 20 0 GCADHN C[C@@](N)(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(Br)cc1 ZINC000662749823 531022699 /nfs/dbraw/zinc/02/26/99/531022699.db2.gz LWSJQAWJELJGRD-HNNXBMFYSA-N 0 3 380.246 0.894 20 0 GCADHN O=C(NC1CCN(CCOc2ccc(Br)cc2)CC1)C1(O)CNC1 ZINC000662737631 531022784 /nfs/dbraw/zinc/02/27/84/531022784.db2.gz ABMOFCWDGPAWCE-UHFFFAOYSA-N 0 3 398.301 0.743 20 0 GCADHN CN(C)CCOCCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000538648594 531034994 /nfs/dbraw/zinc/03/49/94/531034994.db2.gz UNWBYDAOJBSIPG-UHFFFAOYSA-N 0 3 375.516 0.841 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000530373625 531026130 /nfs/dbraw/zinc/02/61/30/531026130.db2.gz XQJLFFAQINAVKB-GFCCVEGCSA-N 0 3 392.547 0.259 20 0 GCADHN C[NH+](C)CCC1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000124344503 531028101 /nfs/dbraw/zinc/02/81/01/531028101.db2.gz ONVDADGFBSOKOP-UHFFFAOYSA-N 0 3 387.278 0.489 20 0 GCADHN CCS(=O)(=O)NCCN1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000538046560 531029689 /nfs/dbraw/zinc/02/96/89/531029689.db2.gz YLJLXUPRRZMDDJ-HOTGVXAUSA-N 0 3 377.551 0.516 20 0 GCADHN CCN(CC)CCNS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000538006853 531029874 /nfs/dbraw/zinc/02/98/74/531029874.db2.gz KZZOFKBDTIOMGP-UHFFFAOYSA-N 0 3 397.588 0.850 20 0 GCADHN CC(C(=O)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000538024558 531029890 /nfs/dbraw/zinc/02/98/90/531029890.db2.gz ROJDNRBGQYHUEH-ZNMIVQPWSA-N 0 3 376.519 0.536 20 0 GCADHN C[C@]1(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[NH2+]C1 ZINC000663007514 531029921 /nfs/dbraw/zinc/02/99/21/531029921.db2.gz ASRPYGKVJFXECI-NSHDSACASA-N 0 3 382.305 0.657 20 0 GCADHN CC[C@@H](C)NC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000663296086 531032038 /nfs/dbraw/zinc/03/20/38/531032038.db2.gz AKWMDCVFQAEPTC-VXGBXAGGSA-N 0 3 376.500 0.813 20 0 GCADHN CNS(=O)(=O)c1ccc(CS(=O)(=O)C(C)C(=O)NC2CCCC2)cc1 ZINC000663296735 531032351 /nfs/dbraw/zinc/03/23/51/531032351.db2.gz VAKXRQIKRHVBLB-LBPRGKRZSA-N 0 3 388.511 0.957 20 0 GCADHN CNS(=O)(=O)c1ccc(CS(=O)(=O)C(C)C(=O)NC(C)(C)C)cc1 ZINC000663296204 531032371 /nfs/dbraw/zinc/03/23/71/531032371.db2.gz IKOACIWDPCKIOQ-NSHDSACASA-N 0 3 376.500 0.813 20 0 GCADHN CN(C)CCn1ccc(NC(=O)CSc2nnnn2CC(F)(F)F)n1 ZINC000105957228 531032525 /nfs/dbraw/zinc/03/25/25/531032525.db2.gz NSVHNXATUQZULN-UHFFFAOYSA-N 0 3 378.384 0.724 20 0 GCADHN C[C@@]1([N-]S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[NH2+]C1 ZINC000663313487 531032760 /nfs/dbraw/zinc/03/27/60/531032760.db2.gz FFOYZKOFNPYNQR-CYBMUJFWSA-N 0 3 390.259 0.810 20 0 GCADHN C[C@]1([N-]S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CC[NH2+]C1 ZINC000663313488 531033333 /nfs/dbraw/zinc/03/33/33/531033333.db2.gz FFOYZKOFNPYNQR-ZDUSSCGKSA-N 0 3 390.259 0.810 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H](C)CCS(C)(=O)=O)CC1 ZINC000542147599 531064247 /nfs/dbraw/zinc/06/42/47/531064247.db2.gz CRVWJOXHINLKCE-KBPBESRZSA-N 0 3 376.519 0.980 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1F ZINC000262787234 531066506 /nfs/dbraw/zinc/06/65/06/531066506.db2.gz MWINWWUGPLMPIA-ZDUSSCGKSA-N 0 3 379.479 0.991 20 0 GCADHN COC[C@H](NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000542522524 531066786 /nfs/dbraw/zinc/06/67/86/531066786.db2.gz 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ZINC000262795403 531067848 /nfs/dbraw/zinc/06/78/48/531067848.db2.gz SYGQJKNDVXWZCN-UHFFFAOYSA-N 0 3 397.494 0.490 20 0 GCADHN COCCCN(C(=O)NC[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000539171650 531039568 /nfs/dbraw/zinc/03/95/68/531039568.db2.gz TVJFDJMSMGWIQW-JKSUJKDBSA-N 0 3 375.535 0.954 20 0 GCADHN COCCCN(C(=O)NC[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000539171649 531039615 /nfs/dbraw/zinc/03/96/15/531039615.db2.gz TVJFDJMSMGWIQW-HZPDHXFCSA-N 0 3 375.535 0.954 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1n[nH]cc1Br ZINC000664175616 531039991 /nfs/dbraw/zinc/03/99/91/531039991.db2.gz AUNPSIBLUIBXHF-UHFFFAOYSA-N 0 3 375.271 0.334 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3ccc(Cl)s3)C[C@H]2N)cn1 ZINC000424504229 531040380 /nfs/dbraw/zinc/04/03/80/531040380.db2.gz JHCULRUALGKFMS-QWHCGFSZSA-N 0 3 381.889 0.747 20 0 GCADHN Cc1c(C(=O)N[C@@H](CO)CN(C)C)cc(Br)cc1S(N)(=O)=O ZINC000614850202 531041098 /nfs/dbraw/zinc/04/10/98/531041098.db2.gz VAWPNOCCUDIBLR-SNVBAGLBSA-N 0 3 394.291 0.057 20 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CCN1CCC[C@@H](CNS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000546025094 531089217 /nfs/dbraw/zinc/08/92/17/531089217.db2.gz PGRNIHLCBYNVGR-ZDUSSCGKSA-N 0 3 375.516 0.605 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Cl ZINC000515435174 531089459 /nfs/dbraw/zinc/08/94/59/531089459.db2.gz ZDWFHWQUDLEMSA-GXFFZTMASA-N 0 3 386.861 0.231 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000546569724 531091332 /nfs/dbraw/zinc/09/13/32/531091332.db2.gz PDTORZDCKPYTTO-YVEFUNNKSA-N 0 3 396.285 0.985 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000546569137 531091513 /nfs/dbraw/zinc/09/15/13/531091513.db2.gz FPLIVZUUPHYYKT-OAHLLOKOSA-N 0 3 380.246 0.826 20 0 GCADHN C[C@@H](c1ccc(Cl)cc1)n1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000630593921 531091604 /nfs/dbraw/zinc/09/16/04/531091604.db2.gz VGEITKDCMYEMRL-LBPRGKRZSA-N 0 3 384.893 0.780 20 0 GCADHN Cn1cc(Br)c(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000640311231 531092103 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C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000547440909 531097513 /nfs/dbraw/zinc/09/75/13/531097513.db2.gz ZJXOGXMGVBBATM-AWEZNQCLSA-N 0 3 377.555 0.030 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000666754828 531102860 /nfs/dbraw/zinc/10/28/60/531102860.db2.gz VELLBDBVYFPRBC-CQSZACIVSA-N 0 3 375.539 0.335 20 0 GCADHN Cc1cc(NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)ncc1Br ZINC000550799423 531070567 /nfs/dbraw/zinc/07/05/67/531070567.db2.gz JCRJAPKZSXRKIR-UHFFFAOYSA-N 0 3 395.261 1.488 20 0 GCADHN Cc1cc(NC(=O)CCNCCNS(=O)(=O)c2cccc(Cl)c2)no1 ZINC000562986781 531071166 /nfs/dbraw/zinc/07/11/66/531071166.db2.gz BWXIPHYGBWCRPE-UHFFFAOYSA-N 0 3 386.861 1.533 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCCNS(=O)(=O)CC)CC1 ZINC000543075697 531071350 /nfs/dbraw/zinc/07/13/50/531071350.db2.gz KJCQJEHKWMWYPC-CYBMUJFWSA-N 0 3 377.507 0.096 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@](C)(C[NH3+])C(C)C)s1 ZINC000429279941 531107043 /nfs/dbraw/zinc/10/70/43/531107043.db2.gz 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/nfs/dbraw/zinc/11/49/43/531114943.db2.gz ZCTJCISPKXESHC-STQMWFEESA-N 0 3 381.234 0.172 20 0 GCADHN Cc1sc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1CS(C)(=O)=O ZINC000564347912 531115073 /nfs/dbraw/zinc/11/50/73/531115073.db2.gz IORFDBUWMCEYAJ-SNVBAGLBSA-N 0 3 375.516 0.397 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](CO)CN(C)C)s1 ZINC000673520009 531117220 /nfs/dbraw/zinc/11/72/20/531117220.db2.gz DZGRBFPQPFOGFZ-STQMWFEESA-N 0 3 375.516 0.248 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000673520072 531117311 /nfs/dbraw/zinc/11/73/11/531117311.db2.gz BNQYEWARJSOIKT-LLVKDONJSA-N 0 3 386.246 0.213 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000673522351 531117397 /nfs/dbraw/zinc/11/73/97/531117397.db2.gz VOGDKHZBKJMDOV-LBPRGKRZSA-N 0 3 375.516 0.114 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000673523709 531118225 /nfs/dbraw/zinc/11/82/25/531118225.db2.gz ZGBFFMMGEUSJFI-AAEUAGOBSA-N 0 3 384.274 0.841 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000673523714 531118329 /nfs/dbraw/zinc/11/83/29/531118329.db2.gz ZGBFFMMGEUSJFI-WCQYABFASA-N 0 3 384.274 0.841 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000673991394 531120800 /nfs/dbraw/zinc/12/08/00/531120800.db2.gz MBRSKBMWKMNVHK-GFCCVEGCSA-N 0 3 386.543 0.555 20 0 GCADHN CN(C)[C@]1(CNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CCSC1 ZINC000673979148 531120936 /nfs/dbraw/zinc/12/09/36/531120936.db2.gz FKYLZBGFVRGEOH-HNNXBMFYSA-N 0 3 390.506 0.710 20 0 GCADHN CCN(CCNC(=O)N1CCN(S(=O)(=O)CCCOC)CC1)C1CC1 ZINC000432379485 531123681 /nfs/dbraw/zinc/12/36/81/531123681.db2.gz VSXZGAAYBBGPTM-UHFFFAOYSA-N 0 3 376.523 0.164 20 0 GCADHN C[C@H]1CN(CCCNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCCO1 ZINC000433411445 531129831 /nfs/dbraw/zinc/12/98/31/531129831.db2.gz QFOZEZODOYXGPS-LSDHHAIUSA-N 0 3 376.523 0.211 20 0 GCADHN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CCN1C ZINC000433660495 531131072 /nfs/dbraw/zinc/13/10/72/531131072.db2.gz PVVBDDQZGIBRPM-MNOVXSKESA-N 0 3 379.479 0.958 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CCSC1 ZINC000550838138 531133831 /nfs/dbraw/zinc/13/38/31/531133831.db2.gz AVQIICFFBGHIDX-BXUZGUMPSA-N 0 3 382.452 0.293 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000434413999 531135806 /nfs/dbraw/zinc/13/58/06/531135806.db2.gz BAFRDYYSRIIRFZ-HZPDHXFCSA-N 0 3 375.535 0.544 20 0 GCADHN C[C@@H](Cn1cc(Br)ccc1=O)NCCNC(=O)c1cnccn1 ZINC000551270763 531136357 /nfs/dbraw/zinc/13/63/57/531136357.db2.gz PYNGJUNFSUMZFP-NSHDSACASA-N 0 3 380.246 0.809 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c1OC ZINC000551564055 531138247 /nfs/dbraw/zinc/13/82/47/531138247.db2.gz QLDJBMIGWKYXEQ-OAHLLOKOSA-N 0 3 394.877 0.726 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@@H](CO)CN1CCCC1 ZINC000640325101 531138362 /nfs/dbraw/zinc/13/83/62/531138362.db2.gz RHSKBNJFFVCXKU-CYBMUJFWSA-N 0 3 375.878 0.191 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000446409473 531143708 /nfs/dbraw/zinc/14/37/08/531143708.db2.gz WHTWXBIWPZTSCQ-VXGBXAGGSA-N 0 3 388.515 0.049 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000446409471 531143815 /nfs/dbraw/zinc/14/38/15/531143815.db2.gz WHTWXBIWPZTSCQ-NWDGAFQWSA-N 0 3 388.515 0.049 20 0 GCADHN CC(C)C[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C(=O)N1CC[C@H](N(C)C)C1 ZINC000615230154 531145179 /nfs/dbraw/zinc/14/51/79/531145179.db2.gz FZRMGUVWHBBPQQ-KKUMJFAQSA-N 0 3 375.535 0.361 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000553034665 531147699 /nfs/dbraw/zinc/14/76/99/531147699.db2.gz NSTQNQHFVBHRTB-ZDUSSCGKSA-N 0 3 375.516 0.557 20 0 GCADHN CN(C)[C@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C[C@@H]1O ZINC000552157048 531142267 /nfs/dbraw/zinc/14/22/67/531142267.db2.gz BUSPRIKQOHSTMS-STQMWFEESA-N 0 3 398.257 0.308 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)C(F)(F)F ZINC000553342972 531151258 /nfs/dbraw/zinc/15/12/58/531151258.db2.gz ZDJXEGMYNGCZJA-GFCCVEGCSA-N 0 3 386.440 0.735 20 0 GCADHN CC(C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1nc(CC(F)(F)F)no1 ZINC000437261423 531147742 /nfs/dbraw/zinc/14/77/42/531147742.db2.gz YNKDWCGRLRGDSI-BDAKNGLRSA-N 0 3 385.364 0.773 20 0 GCADHN NC(=O)[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1cccc(Br)c1 ZINC000677874273 531148163 /nfs/dbraw/zinc/14/81/63/531148163.db2.gz NJXPIAHHMVULQL-ZIAGYGMSSA-N 0 3 381.274 0.482 20 0 GCADHN C[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)CN1CCCCC1 ZINC000615293099 531155062 /nfs/dbraw/zinc/15/50/62/531155062.db2.gz LTXPHLDAMWFTFI-CYBMUJFWSA-N 0 3 375.516 0.734 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000511090439 531158798 /nfs/dbraw/zinc/15/87/98/531158798.db2.gz MOXXNZIVMPQKSP-YYIAUSFCSA-N 0 3 377.551 0.060 20 0 GCADHN O=C(CNC(=O)Cn1cc(Br)cn1)NCCN1CCCCCC1 ZINC000554218208 531160441 /nfs/dbraw/zinc/16/04/41/531160441.db2.gz FHNVTIHOHONFMS-UHFFFAOYSA-N 0 3 386.294 0.754 20 0 GCADHN C[C@H](CS(=O)(=O)c1ccccc1)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000680462740 531160740 /nfs/dbraw/zinc/16/07/40/531160740.db2.gz SPEUGLFFXLWSQR-OAHLLOKOSA-N 0 3 389.543 0.016 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000439640327 531162748 /nfs/dbraw/zinc/16/27/48/531162748.db2.gz LLGJKQWCJKSUKV-UHFFFAOYSA-N 0 3 375.828 0.817 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000439641032 531162695 /nfs/dbraw/zinc/16/26/95/531162695.db2.gz CYQHVPXAUJXMIX-UHFFFAOYSA-N 0 3 375.828 0.817 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000439612868 531162758 /nfs/dbraw/zinc/16/27/58/531162758.db2.gz LMVRLCHFPOUAPP-UHFFFAOYSA-N 0 3 375.828 0.817 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000439928153 531165727 /nfs/dbraw/zinc/16/57/27/531165727.db2.gz FCZCIMKENAKCBU-UHFFFAOYSA-N 0 3 376.523 0.020 20 0 GCADHN CSC1(CNC(=O)CN(C)S(=O)(=O)c2cccnc2)CCN(C)CC1 ZINC000555166211 531167663 /nfs/dbraw/zinc/16/76/63/531167663.db2.gz CZTVOJJTUNQLQI-UHFFFAOYSA-N 0 3 386.543 0.646 20 0 GCADHN CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCCC[NH+](C)C ZINC000681686624 531168499 /nfs/dbraw/zinc/16/84/99/531168499.db2.gz HFOOPGYLMPYZEH-UHFFFAOYSA-N 0 3 377.532 0.947 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000440334273 531171051 /nfs/dbraw/zinc/17/10/51/531171051.db2.gz CIXHSRRODGTIGP-QWRGUYRKSA-N 0 3 379.479 0.864 20 0 GCADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000682256670 531171254 /nfs/dbraw/zinc/17/12/54/531171254.db2.gz NMDIHXFIBRVPMR-VXGBXAGGSA-N 0 3 375.878 0.965 20 0 GCADHN CN(C)CCN(CCN(C)C)C(=O)c1c(I)cnn1C ZINC000555889688 531171841 /nfs/dbraw/zinc/17/18/41/531171841.db2.gz ZLDVZTUZGLXZFQ-UHFFFAOYSA-N 0 3 393.273 0.590 20 0 GCADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@@H]1C[NH3+] ZINC000440428524 531173391 /nfs/dbraw/zinc/17/33/91/531173391.db2.gz QMRQFPSTYVMNTK-QMTHXVAHSA-N 0 3 379.479 0.945 20 0 GCADHN COc1ccc2nc(CNCCN3CCN(S(C)(=O)=O)CC3)sc2c1 ZINC000682730476 531175057 /nfs/dbraw/zinc/17/50/57/531175057.db2.gz FEYXUTXPZWYXIR-UHFFFAOYSA-N 0 3 384.527 0.972 20 0 GCADHN CO[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)[C@@H](CN)C1 ZINC000440836920 531177129 /nfs/dbraw/zinc/17/71/29/531177129.db2.gz HSFVGVGZJKYAPF-OLZOCXBDSA-N 0 3 376.500 0.525 20 0 GCADHN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2CN)c1 ZINC000440864842 531177883 /nfs/dbraw/zinc/17/78/83/531177883.db2.gz WWNUSNCJDUYLEA-QWHCGFSZSA-N 0 3 376.500 0.607 20 0 GCADHN CO[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@H](C[NH3+])C1 ZINC000440845380 531178009 /nfs/dbraw/zinc/17/80/09/531178009.db2.gz KERCJTBDCVYQFD-WDEREUQCSA-N 0 3 395.478 0.324 20 0 GCADHN CO[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@@H](C[NH3+])C1 ZINC000440845376 531177715 /nfs/dbraw/zinc/17/77/15/531177715.db2.gz KERCJTBDCVYQFD-MNOVXSKESA-N 0 3 395.478 0.324 20 0 GCADHN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](OC)C[C@H]2CN)c1 ZINC000440864845 531177736 /nfs/dbraw/zinc/17/77/36/531177736.db2.gz WWNUSNCJDUYLEA-STQMWFEESA-N 0 3 376.500 0.607 20 0 GCADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000441031112 531179405 /nfs/dbraw/zinc/17/94/05/531179405.db2.gz IRQZWXWUHRDASL-GXFFZTMASA-N 0 3 399.289 0.885 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645836258 531180558 /nfs/dbraw/zinc/18/05/58/531180558.db2.gz LHACKJZAJZPDRX-SNVBAGLBSA-N 0 3 380.392 0.841 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1Br ZINC000565240282 531183022 /nfs/dbraw/zinc/18/30/22/531183022.db2.gz UMAOJXRXSNFLNW-GHMZBOCLSA-N 0 3 388.287 0.690 20 0 GCADHN Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCCCN(C)S(C)(=O)=O ZINC000684550128 531185090 /nfs/dbraw/zinc/18/50/90/531185090.db2.gz PKZJNNCOQFVXIH-ZDUSSCGKSA-N 0 3 377.532 0.883 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)C1=CCN(C)CC1 ZINC000442333589 531185917 /nfs/dbraw/zinc/18/59/17/531185917.db2.gz KVCKQNFGXZODFF-SNVBAGLBSA-N 0 3 397.273 0.853 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000672774935 531186008 /nfs/dbraw/zinc/18/60/08/531186008.db2.gz XWIUBVCEWOMLBL-VXGBXAGGSA-N 0 3 388.456 0.982 20 0 GCADHN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC[C@](C)(O)CN(C)C ZINC000153134114 531185336 /nfs/dbraw/zinc/18/53/36/531185336.db2.gz YLWRIRNTPBVVBJ-ZBEGNZNMSA-N 0 3 386.290 0.996 20 0 GCADHN COC(=O)c1scc(C)c1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000442750454 531189356 /nfs/dbraw/zinc/18/93/56/531189356.db2.gz OWJNNKCQGUFAGH-UHFFFAOYSA-N 0 3 376.500 0.826 20 0 GCADHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000442734525 531189572 /nfs/dbraw/zinc/18/95/72/531189572.db2.gz DNZYMJNMXDKTQI-RISCZKNCSA-N 0 3 375.516 0.759 20 0 GCADHN C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000565775005 531190019 /nfs/dbraw/zinc/19/00/19/531190019.db2.gz BNCMNVCDOPDEOM-IUCAKERBSA-N 0 3 396.922 0.038 20 0 GCADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(F)c2)C[C@H]1N(C)C ZINC000565747086 531190223 /nfs/dbraw/zinc/19/02/23/531190223.db2.gz ZDDFSSJEMLSXJV-ZIAGYGMSSA-N 0 3 375.491 0.608 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000685502986 531191166 /nfs/dbraw/zinc/19/11/66/531191166.db2.gz IPQRXGDGIWOTPL-LBPRGKRZSA-N 0 3 387.424 0.134 20 0 GCADHN C[C@@H](CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C[C@H](C)O ZINC000565833479 531190808 /nfs/dbraw/zinc/19/08/08/531190808.db2.gz FVPMBWRVYIWSTF-KGLIPLIRSA-N 0 3 392.543 0.707 20 0 GCADHN O=C(CCn1cnc2ccc(Br)cc2c1=O)NC[C@@H]1CNCCO1 ZINC000566093056 531193741 /nfs/dbraw/zinc/19/37/41/531193741.db2.gz ISZOKMGORCSQGD-LBPRGKRZSA-N 0 3 395.257 0.654 20 0 GCADHN CCN(CC)S(=O)(=O)CC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000359961820 212127361 /nfs/dbraw/zinc/12/73/61/212127361.db2.gz SZAXQHRWUGIDCE-UHFFFAOYSA-N 0 3 388.578 0.534 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735628389 598836981 /nfs/dbraw/zinc/83/69/81/598836981.db2.gz SNUZUPIXRXHFHR-VXGBXAGGSA-N 0 3 389.464 0.704 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000735628389 598836983 /nfs/dbraw/zinc/83/69/83/598836983.db2.gz SNUZUPIXRXHFHR-VXGBXAGGSA-N 0 3 389.464 0.704 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000736902973 598864065 /nfs/dbraw/zinc/86/40/65/598864065.db2.gz WYJCGGSTPFCGOG-QZTJIDSGSA-N 0 3 399.499 0.793 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000736902973 598864066 /nfs/dbraw/zinc/86/40/66/598864066.db2.gz WYJCGGSTPFCGOG-QZTJIDSGSA-N 0 3 399.499 0.793 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737764271 598898292 /nfs/dbraw/zinc/89/82/92/598898292.db2.gz KAZMAZDIAIMANW-GFCCVEGCSA-N 0 3 393.473 0.196 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000737764271 598898294 /nfs/dbraw/zinc/89/82/94/598898294.db2.gz KAZMAZDIAIMANW-GFCCVEGCSA-N 0 3 393.473 0.196 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737764271 598898296 /nfs/dbraw/zinc/89/82/96/598898296.db2.gz KAZMAZDIAIMANW-GFCCVEGCSA-N 0 3 393.473 0.196 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000737764271 598898298 /nfs/dbraw/zinc/89/82/98/598898298.db2.gz KAZMAZDIAIMANW-GFCCVEGCSA-N 0 3 393.473 0.196 20 0 GCADHN COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737057725 598908823 /nfs/dbraw/zinc/90/88/23/598908823.db2.gz SIDOJJLCYJFLLP-CYBMUJFWSA-N 0 3 399.455 0.758 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737057725 598908824 /nfs/dbraw/zinc/90/88/24/598908824.db2.gz SIDOJJLCYJFLLP-CYBMUJFWSA-N 0 3 399.455 0.758 20 0 GCADHN O=C1[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCCN1c1ccccc1 ZINC000738291324 598920491 /nfs/dbraw/zinc/92/04/91/598920491.db2.gz UFGZOOGIPXQEFR-XJKSGUPXSA-N 0 3 393.455 0.890 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCCN1c1ccccc1 ZINC000738291318 598920994 /nfs/dbraw/zinc/92/09/94/598920994.db2.gz UFGZOOGIPXQEFR-CJNGLKHVSA-N 0 3 393.455 0.890 20 0 GCADHN C[NH+](C)Cc1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)nc1 ZINC000736770703 599032937 /nfs/dbraw/zinc/03/29/37/599032937.db2.gz FGVGWZJQQSYVFB-UHFFFAOYSA-N 0 3 393.455 0.681 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859763 599074916 /nfs/dbraw/zinc/07/49/16/599074916.db2.gz JBQSBDPOXIBZFW-ROUUACIJSA-N 0 3 398.515 0.495 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859763 599074918 /nfs/dbraw/zinc/07/49/18/599074918.db2.gz JBQSBDPOXIBZFW-ROUUACIJSA-N 0 3 398.515 0.495 20 0 GCADHN C[N@H+](CCCO)C1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736800564 599079764 /nfs/dbraw/zinc/07/97/64/599079764.db2.gz MXQPHJWVRMVPDO-KRWDZBQOSA-N 0 3 390.488 0.385 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736800564 599079767 /nfs/dbraw/zinc/07/97/67/599079767.db2.gz MXQPHJWVRMVPDO-KRWDZBQOSA-N 0 3 390.488 0.385 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858868 599079899 /nfs/dbraw/zinc/07/98/99/599079899.db2.gz VJJIFJYSZRKRPC-IAGOWNOFSA-N 0 3 384.488 0.105 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858868 599079902 /nfs/dbraw/zinc/07/99/02/599079902.db2.gz VJJIFJYSZRKRPC-IAGOWNOFSA-N 0 3 384.488 0.105 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736855913 599083014 /nfs/dbraw/zinc/08/30/14/599083014.db2.gz IZCZCGWWCAQUKM-AWEZNQCLSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736855913 599083015 /nfs/dbraw/zinc/08/30/15/599083015.db2.gz IZCZCGWWCAQUKM-AWEZNQCLSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736855913 599083018 /nfs/dbraw/zinc/08/30/18/599083018.db2.gz IZCZCGWWCAQUKM-AWEZNQCLSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736855913 599083021 /nfs/dbraw/zinc/08/30/21/599083021.db2.gz IZCZCGWWCAQUKM-AWEZNQCLSA-N 0 3 391.501 0.267 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000738388980 599146565 /nfs/dbraw/zinc/14/65/65/599146565.db2.gz UVTKAFKNVUNYMZ-NVXWUHKLSA-N 0 3 388.472 0.261 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000738388980 599146566 /nfs/dbraw/zinc/14/65/66/599146566.db2.gz UVTKAFKNVUNYMZ-NVXWUHKLSA-N 0 3 388.472 0.261 20 0 GCADHN C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCO1 ZINC000736758300 599201516 /nfs/dbraw/zinc/20/15/16/599201516.db2.gz FHDQKQJFGYWCBS-CQSZACIVSA-N 0 3 397.443 0.037 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000736759857 599202637 /nfs/dbraw/zinc/20/26/37/599202637.db2.gz XUWOQSHFUIHOQH-IRXDYDNUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000820542263 607297728 /nfs/dbraw/zinc/29/77/28/607297728.db2.gz MXQPQXQHQODSLY-CABCVRRESA-N 0 3 388.472 0.987 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000820542263 607297729 /nfs/dbraw/zinc/29/77/29/607297729.db2.gz MXQPQXQHQODSLY-CABCVRRESA-N 0 3 388.472 0.987 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000820542263 607297730 /nfs/dbraw/zinc/29/77/30/607297730.db2.gz MXQPQXQHQODSLY-CABCVRRESA-N 0 3 388.472 0.987 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000820542263 607297731 /nfs/dbraw/zinc/29/77/31/607297731.db2.gz MXQPQXQHQODSLY-CABCVRRESA-N 0 3 388.472 0.987 20 0 GCADHN CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736322806 599282512 /nfs/dbraw/zinc/28/25/12/599282512.db2.gz OZXQDIHSJGDATI-NSHDSACASA-N 0 3 375.433 0.660 20 0 GCADHN CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736322806 599282514 /nfs/dbraw/zinc/28/25/14/599282514.db2.gz OZXQDIHSJGDATI-NSHDSACASA-N 0 3 375.433 0.660 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000736637241 599283047 /nfs/dbraw/zinc/28/30/47/599283047.db2.gz UPQQCUMYYUXLHN-CQSZACIVSA-N 0 3 387.444 0.660 20 0 GCADHN COCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000737006010 599284477 /nfs/dbraw/zinc/28/44/77/599284477.db2.gz FLBCHPMZYZRNSP-UHFFFAOYSA-N 0 3 387.444 0.341 20 0 GCADHN COCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000737006010 599284479 /nfs/dbraw/zinc/28/44/79/599284479.db2.gz FLBCHPMZYZRNSP-UHFFFAOYSA-N 0 3 387.444 0.341 20 0 GCADHN O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000823323662 607335124 /nfs/dbraw/zinc/33/51/24/607335124.db2.gz YCZURKOHJAPIKL-UHFFFAOYSA-N 0 3 387.419 0.935 20 0 GCADHN O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000823323662 607335126 /nfs/dbraw/zinc/33/51/26/607335126.db2.gz YCZURKOHJAPIKL-UHFFFAOYSA-N 0 3 387.419 0.935 20 0 GCADHN C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000821581866 607339376 /nfs/dbraw/zinc/33/93/76/607339376.db2.gz WMEQTVQTCCOEEQ-UHFFFAOYSA-N 0 3 391.407 0.171 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3F)CC[C@@H]21 ZINC000821625846 607344427 /nfs/dbraw/zinc/34/44/27/607344427.db2.gz WVTLJHPNVQWMDN-WFASDCNBSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3F)CC[C@@H]21 ZINC000821625846 607344429 /nfs/dbraw/zinc/34/44/29/607344429.db2.gz WVTLJHPNVQWMDN-WFASDCNBSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3F)CC[C@@H]21 ZINC000821625846 607344431 /nfs/dbraw/zinc/34/44/31/607344431.db2.gz WVTLJHPNVQWMDN-WFASDCNBSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3F)CC[C@@H]21 ZINC000821625846 607344433 /nfs/dbraw/zinc/34/44/33/607344433.db2.gz WVTLJHPNVQWMDN-WFASDCNBSA-N 0 3 387.419 0.887 20 0 GCADHN CC[NH+]1CCC(NC(=O)CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000736571428 598253446 /nfs/dbraw/zinc/25/34/46/598253446.db2.gz RFDFERPFUKATGJ-UHFFFAOYSA-N 0 3 398.515 0.589 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000737294040 598265653 /nfs/dbraw/zinc/26/56/53/598265653.db2.gz KLEDNKXXQTZRLV-CQSZACIVSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000737294040 598265654 /nfs/dbraw/zinc/26/56/54/598265654.db2.gz KLEDNKXXQTZRLV-CQSZACIVSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000737294040 598265656 /nfs/dbraw/zinc/26/56/56/598265656.db2.gz KLEDNKXXQTZRLV-CQSZACIVSA-N 0 3 386.460 0.884 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000737294040 598265657 /nfs/dbraw/zinc/26/56/57/598265657.db2.gz KLEDNKXXQTZRLV-CQSZACIVSA-N 0 3 386.460 0.884 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737745459 598266201 /nfs/dbraw/zinc/26/62/01/598266201.db2.gz OCLMKWNHXGJBJJ-NSHDSACASA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737745459 598266203 /nfs/dbraw/zinc/26/62/03/598266203.db2.gz OCLMKWNHXGJBJJ-NSHDSACASA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737745459 598266206 /nfs/dbraw/zinc/26/62/06/598266206.db2.gz OCLMKWNHXGJBJJ-NSHDSACASA-N 0 3 390.423 0.715 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737745459 598266207 /nfs/dbraw/zinc/26/62/07/598266207.db2.gz OCLMKWNHXGJBJJ-NSHDSACASA-N 0 3 390.423 0.715 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[N@H+](C)C1CC1 ZINC000736016974 598270443 /nfs/dbraw/zinc/27/04/43/598270443.db2.gz GNEYDRCOKMLWCS-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[N@@H+](C)C1CC1 ZINC000736016974 598270445 /nfs/dbraw/zinc/27/04/45/598270445.db2.gz GNEYDRCOKMLWCS-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[N@H+](C)C1CC1 ZINC000736016974 598270447 /nfs/dbraw/zinc/27/04/47/598270447.db2.gz GNEYDRCOKMLWCS-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[N@@H+](C)C1CC1 ZINC000736016974 598270448 /nfs/dbraw/zinc/27/04/48/598270448.db2.gz GNEYDRCOKMLWCS-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736573229 598272958 /nfs/dbraw/zinc/27/29/58/598272958.db2.gz YIMZOYPXBLQQOW-SJORKVTESA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736573229 598272960 /nfs/dbraw/zinc/27/29/60/598272960.db2.gz YIMZOYPXBLQQOW-SJORKVTESA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736573229 598272962 /nfs/dbraw/zinc/27/29/62/598272962.db2.gz YIMZOYPXBLQQOW-SJORKVTESA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736573229 598272964 /nfs/dbraw/zinc/27/29/64/598272964.db2.gz YIMZOYPXBLQQOW-SJORKVTESA-N 0 3 397.483 0.816 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736705110 598348870 /nfs/dbraw/zinc/34/88/70/598348870.db2.gz FMEQNUUNVUNNRH-BXUZGUMPSA-N 0 3 381.444 0.952 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000736704657 598348943 /nfs/dbraw/zinc/34/89/43/598348943.db2.gz APNLBGLKWUQULD-VXGBXAGGSA-N 0 3 381.444 0.952 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736146284 598349068 /nfs/dbraw/zinc/34/90/68/598349068.db2.gz ZJJRZNQQEIPYCE-KGLIPLIRSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736146284 598349071 /nfs/dbraw/zinc/34/90/71/598349071.db2.gz ZJJRZNQQEIPYCE-KGLIPLIRSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736146284 598349075 /nfs/dbraw/zinc/34/90/75/598349075.db2.gz ZJJRZNQQEIPYCE-KGLIPLIRSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736146284 598349077 /nfs/dbraw/zinc/34/90/77/598349077.db2.gz ZJJRZNQQEIPYCE-KGLIPLIRSA-N 0 3 387.488 0.971 20 0 GCADHN Cc1oc(NC(=O)[C@H](C)N2CCC([N@H+](C)CCO)CC2)c(-c2nnn[n-]2)c1C ZINC000737546184 598350182 /nfs/dbraw/zinc/35/01/82/598350182.db2.gz ABXVRODYWSNOLD-LBPRGKRZSA-N 0 3 391.476 0.792 20 0 GCADHN Cc1oc(NC(=O)[C@H](C)N2CCC([N@@H+](C)CCO)CC2)c(-c2nnn[n-]2)c1C ZINC000737546184 598350185 /nfs/dbraw/zinc/35/01/85/598350185.db2.gz ABXVRODYWSNOLD-LBPRGKRZSA-N 0 3 391.476 0.792 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736860244 598351145 /nfs/dbraw/zinc/35/11/45/598351145.db2.gz MWEITTJBEMXXRQ-HOTGVXAUSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736860244 598351147 /nfs/dbraw/zinc/35/11/47/598351147.db2.gz MWEITTJBEMXXRQ-HOTGVXAUSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736860244 598351149 /nfs/dbraw/zinc/35/11/49/598351149.db2.gz MWEITTJBEMXXRQ-HOTGVXAUSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736860244 598351154 /nfs/dbraw/zinc/35/11/54/598351154.db2.gz MWEITTJBEMXXRQ-HOTGVXAUSA-N 0 3 383.456 0.682 20 0 GCADHN C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736285497 598352475 /nfs/dbraw/zinc/35/24/75/598352475.db2.gz KIDPADCMKCYRNQ-RHSMWYFYSA-N 0 3 389.479 0.843 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737745536 598371308 /nfs/dbraw/zinc/37/13/08/598371308.db2.gz PDCGEXXFZIOWMG-MRXNPFEDSA-N 0 3 398.471 0.219 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737745447 598374684 /nfs/dbraw/zinc/37/46/84/598374684.db2.gz NWVAMGKDQJNNJZ-HVHJFMEUSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737745447 598374687 /nfs/dbraw/zinc/37/46/87/598374687.db2.gz NWVAMGKDQJNNJZ-HVHJFMEUSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737745447 598374688 /nfs/dbraw/zinc/37/46/88/598374688.db2.gz NWVAMGKDQJNNJZ-HVHJFMEUSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737745447 598374690 /nfs/dbraw/zinc/37/46/90/598374690.db2.gz NWVAMGKDQJNNJZ-HVHJFMEUSA-N 0 3 383.456 0.584 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736145307 598375483 /nfs/dbraw/zinc/37/54/83/598375483.db2.gz SNLGMOOUINMBIX-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736145307 598375485 /nfs/dbraw/zinc/37/54/85/598375485.db2.gz SNLGMOOUINMBIX-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736145307 598375487 /nfs/dbraw/zinc/37/54/87/598375487.db2.gz SNLGMOOUINMBIX-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736145307 598375489 /nfs/dbraw/zinc/37/54/89/598375489.db2.gz SNLGMOOUINMBIX-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736143506 598375713 /nfs/dbraw/zinc/37/57/13/598375713.db2.gz KAQRGBIZWIGWQK-LLVKDONJSA-N 0 3 398.464 0.472 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736143506 598375715 /nfs/dbraw/zinc/37/57/15/598375715.db2.gz KAQRGBIZWIGWQK-LLVKDONJSA-N 0 3 398.464 0.472 20 0 GCADHN Cc1oc(NC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)c(-c2nnn[n-]2)c1C ZINC000737550699 598427602 /nfs/dbraw/zinc/42/76/02/598427602.db2.gz BRVCPOFPGMHSTP-DGCLKSJQSA-N 0 3 377.449 0.666 20 0 GCADHN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736235779 598463653 /nfs/dbraw/zinc/46/36/53/598463653.db2.gz DORGIYHJLIPQJQ-HUUCEWRRSA-N 0 3 384.488 0.892 20 0 GCADHN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736235779 598463654 /nfs/dbraw/zinc/46/36/54/598463654.db2.gz DORGIYHJLIPQJQ-HUUCEWRRSA-N 0 3 384.488 0.892 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000737056695 598485344 /nfs/dbraw/zinc/48/53/44/598485344.db2.gz NFPNPWNVHASUTJ-AWEZNQCLSA-N 0 3 399.455 0.901 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000737776397 598498169 /nfs/dbraw/zinc/49/81/69/598498169.db2.gz LWPHLWFETLNSAC-AWEZNQCLSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000737776397 598498171 /nfs/dbraw/zinc/49/81/71/598498171.db2.gz LWPHLWFETLNSAC-AWEZNQCLSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000737776397 598498173 /nfs/dbraw/zinc/49/81/73/598498173.db2.gz LWPHLWFETLNSAC-AWEZNQCLSA-N 0 3 393.455 0.849 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000737776397 598498175 /nfs/dbraw/zinc/49/81/75/598498175.db2.gz LWPHLWFETLNSAC-AWEZNQCLSA-N 0 3 393.455 0.849 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[N@H+](C)C1CC1 ZINC000736020399 598502164 /nfs/dbraw/zinc/50/21/64/598502164.db2.gz PNVAVLRHFFFUGY-LLVKDONJSA-N 0 3 381.444 0.847 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[N@@H+](C)C1CC1 ZINC000736020399 598502165 /nfs/dbraw/zinc/50/21/65/598502165.db2.gz PNVAVLRHFFFUGY-LLVKDONJSA-N 0 3 381.444 0.847 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[N@H+](C)C1CC1 ZINC000736020399 598502166 /nfs/dbraw/zinc/50/21/66/598502166.db2.gz PNVAVLRHFFFUGY-LLVKDONJSA-N 0 3 381.444 0.847 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[N@@H+](C)C1CC1 ZINC000736020399 598502167 /nfs/dbraw/zinc/50/21/67/598502167.db2.gz PNVAVLRHFFFUGY-LLVKDONJSA-N 0 3 381.444 0.847 20 0 GCADHN O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000738078231 598511829 /nfs/dbraw/zinc/51/18/29/598511829.db2.gz OWBSUYULSREWEE-AWEZNQCLSA-N 0 3 385.476 0.943 20 0 GCADHN O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000738078231 598511830 /nfs/dbraw/zinc/51/18/30/598511830.db2.gz OWBSUYULSREWEE-AWEZNQCLSA-N 0 3 385.476 0.943 20 0 GCADHN Cc1cccc(C)c1NC(=O)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737388803 598518829 /nfs/dbraw/zinc/51/88/29/598518829.db2.gz FVTVCXQLUHKZTR-CYBMUJFWSA-N 0 3 381.444 0.950 20 0 GCADHN C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C[C@@H](C)O1 ZINC000736292207 598519945 /nfs/dbraw/zinc/51/99/45/598519945.db2.gz NVUQRPYTQPOBJE-MGPQQGTHSA-N 0 3 389.508 0.582 20 0 GCADHN C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C[C@@H](C)O1 ZINC000736292207 598519946 /nfs/dbraw/zinc/51/99/46/598519946.db2.gz NVUQRPYTQPOBJE-MGPQQGTHSA-N 0 3 389.508 0.582 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CCc1nnc3n1CCCCC3)C2 ZINC000738448991 598521332 /nfs/dbraw/zinc/52/13/32/598521332.db2.gz CPWGPXPBYTVKGE-GFCCVEGCSA-N 0 3 383.464 0.255 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CCc1nnc3n1CCCCC3)C2 ZINC000738448991 598521335 /nfs/dbraw/zinc/52/13/35/598521335.db2.gz CPWGPXPBYTVKGE-GFCCVEGCSA-N 0 3 383.464 0.255 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]Cc1cccnc1N1CCOCC1)C2 ZINC000738445781 598522691 /nfs/dbraw/zinc/52/26/91/598522691.db2.gz OFHHITSENDLQMI-ZDUSSCGKSA-N 0 3 396.459 0.126 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]Cc1cccnc1N1CCOCC1)C2 ZINC000738445781 598522692 /nfs/dbraw/zinc/52/26/92/598522692.db2.gz OFHHITSENDLQMI-ZDUSSCGKSA-N 0 3 396.459 0.126 20 0 GCADHN COc1cccc(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1OC ZINC000737131539 598523962 /nfs/dbraw/zinc/52/39/62/598523962.db2.gz QVCMRZUJVFIHFU-GFCCVEGCSA-N 0 3 384.444 0.954 20 0 GCADHN COc1cccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1OC ZINC000737131539 598523963 /nfs/dbraw/zinc/52/39/63/598523963.db2.gz QVCMRZUJVFIHFU-GFCCVEGCSA-N 0 3 384.444 0.954 20 0 GCADHN O[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)COc1cccc(F)c1 ZINC000738380781 598525119 /nfs/dbraw/zinc/52/51/19/598525119.db2.gz HPFKJUVJMKXULM-YPMHNXCESA-N 0 3 388.407 0.274 20 0 GCADHN O[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)COc1cccc(F)c1 ZINC000738380781 598525121 /nfs/dbraw/zinc/52/51/21/598525121.db2.gz HPFKJUVJMKXULM-YPMHNXCESA-N 0 3 388.407 0.274 20 0 GCADHN O=C(NCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(F)cc1 ZINC000738076200 598525155 /nfs/dbraw/zinc/52/51/55/598525155.db2.gz VNLAQFNNXVHEJJ-NSHDSACASA-N 0 3 385.407 0.264 20 0 GCADHN O=C(NCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(F)cc1 ZINC000738076200 598525157 /nfs/dbraw/zinc/52/51/57/598525157.db2.gz VNLAQFNNXVHEJJ-NSHDSACASA-N 0 3 385.407 0.264 20 0 GCADHN C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc2c(c1)CC(=O)N2C ZINC000736137528 598529245 /nfs/dbraw/zinc/52/92/45/598529245.db2.gz XNLUWKWNMTYNAK-NWDGAFQWSA-N 0 3 393.455 0.975 20 0 GCADHN C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc2c(c1)CC(=O)N2C ZINC000736137528 598529246 /nfs/dbraw/zinc/52/92/46/598529246.db2.gz XNLUWKWNMTYNAK-NWDGAFQWSA-N 0 3 393.455 0.975 20 0 GCADHN FC(F)(F)CN1CCC([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000737626704 598529809 /nfs/dbraw/zinc/52/98/09/598529809.db2.gz JJMPODNYWAGDNK-JTQLQIEISA-N 0 3 385.398 0.721 20 0 GCADHN FC(F)(F)CN1CCC([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000737626704 598529810 /nfs/dbraw/zinc/52/98/10/598529810.db2.gz JJMPODNYWAGDNK-JTQLQIEISA-N 0 3 385.398 0.721 20 0 GCADHN COc1cccc2c1OC[C@H]([NH2+]C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000737142730 598529827 /nfs/dbraw/zinc/52/98/27/598529827.db2.gz MGFZSEYACZRJGJ-DGCLKSJQSA-N 0 3 382.428 0.707 20 0 GCADHN COc1cccc2c1OC[C@H]([NH2+]C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000737142730 598529829 /nfs/dbraw/zinc/52/98/29/598529829.db2.gz MGFZSEYACZRJGJ-DGCLKSJQSA-N 0 3 382.428 0.707 20 0 GCADHN C[C@@H](CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)NC(=O)OC(C)(C)C ZINC000735987922 598530345 /nfs/dbraw/zinc/53/03/45/598530345.db2.gz YPFVGJABWDPOEC-NWDGAFQWSA-N 0 3 391.480 0.998 20 0 GCADHN C[C@@H](CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)NC(=O)OC(C)(C)C ZINC000735987922 598530346 /nfs/dbraw/zinc/53/03/46/598530346.db2.gz YPFVGJABWDPOEC-NWDGAFQWSA-N 0 3 391.480 0.998 20 0 GCADHN CNS(=O)(=O)CCCN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736883233 598701948 /nfs/dbraw/zinc/70/19/48/598701948.db2.gz PLUWDZQJXWRABR-UHFFFAOYSA-N 0 3 380.474 0.649 20 0 GCADHN O=C1CCCN1[C@@H]1CCCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738302303 598708872 /nfs/dbraw/zinc/70/88/72/598708872.db2.gz ISTFXLBZCBQQFA-CVEARBPZSA-N 0 3 386.456 0.693 20 0 GCADHN C[NH+]1CCC(CCNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000736849693 598727514 /nfs/dbraw/zinc/72/75/14/598727514.db2.gz VVLLPRKKIWYNSR-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN C[NH+]1CCC(CCNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000736849693 598727516 /nfs/dbraw/zinc/72/75/16/598727516.db2.gz VVLLPRKKIWYNSR-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736861092 598759351 /nfs/dbraw/zinc/75/93/51/598759351.db2.gz YIUWNCVHPDUFQJ-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736861092 598759353 /nfs/dbraw/zinc/75/93/53/598759353.db2.gz YIUWNCVHPDUFQJ-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736861092 598759355 /nfs/dbraw/zinc/75/93/55/598759355.db2.gz YIUWNCVHPDUFQJ-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736861092 598759357 /nfs/dbraw/zinc/75/93/57/598759357.db2.gz YIUWNCVHPDUFQJ-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN O=C(CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737843288 598781825 /nfs/dbraw/zinc/78/18/25/598781825.db2.gz KBGOFDRSQPWKHT-ZIAGYGMSSA-N 0 3 391.501 0.788 20 0 GCADHN CCN1CCN(CCNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736570657 598812011 /nfs/dbraw/zinc/81/20/11/598812011.db2.gz ZZUYUFQFLXYUFJ-SFHVURJKSA-N 0 3 398.515 0.589 20 0 GCADHN CCN1CCN(CCNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736570648 598812082 /nfs/dbraw/zinc/81/20/82/598812082.db2.gz ZZUYUFQFLXYUFJ-GOSISDBHSA-N 0 3 398.515 0.589 20 0 GCADHN CCN1CCN(CCNC(=O)COc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000736567835 598812113 /nfs/dbraw/zinc/81/21/13/598812113.db2.gz FKBHVDJCMBJUIJ-UHFFFAOYSA-N 0 3 389.460 0.008 20 0 GCADHN CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736570406 598814471 /nfs/dbraw/zinc/81/44/71/598814471.db2.gz MPJULTWCQJUYGV-CYBMUJFWSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736570406 598814472 /nfs/dbraw/zinc/81/44/72/598814472.db2.gz MPJULTWCQJUYGV-CYBMUJFWSA-N 0 3 381.444 0.849 20 0 GCADHN CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)[C@@H](C)C1 ZINC000735465350 599299860 /nfs/dbraw/zinc/29/98/60/599299860.db2.gz JFTGGQUTUVODQG-AFAVFJNCSA-N 0 3 383.456 0.819 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1-c1nnn[n-]1 ZINC000737091466 599301777 /nfs/dbraw/zinc/30/17/77/599301777.db2.gz CGGQMFZKIMILPT-RISCZKNCSA-N 0 3 380.474 0.635 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1-c1nn[n-]n1 ZINC000737091466 599301778 /nfs/dbraw/zinc/30/17/78/599301778.db2.gz CGGQMFZKIMILPT-RISCZKNCSA-N 0 3 380.474 0.635 20 0 GCADHN C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000736757618 599303664 /nfs/dbraw/zinc/30/36/64/599303664.db2.gz VLLZXTSTVIBCRL-SNVBAGLBSA-N 0 3 397.361 0.987 20 0 GCADHN C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000736757618 599303667 /nfs/dbraw/zinc/30/36/67/599303667.db2.gz VLLZXTSTVIBCRL-SNVBAGLBSA-N 0 3 397.361 0.987 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736535225 599333034 /nfs/dbraw/zinc/33/30/34/599333034.db2.gz VJUKVNCXXSTBLF-CVEARBPZSA-N 0 3 383.456 0.915 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736535225 599333037 /nfs/dbraw/zinc/33/30/37/599333037.db2.gz VJUKVNCXXSTBLF-CVEARBPZSA-N 0 3 383.456 0.915 20 0 GCADHN Cc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)cc1 ZINC000822241023 599447990 /nfs/dbraw/zinc/44/79/90/599447990.db2.gz JBGAZCJXEDWPKF-CJNGLKHVSA-N 0 3 393.455 0.808 20 0 GCADHN NS(=O)(=O)c1ccc(CC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737765127 599484862 /nfs/dbraw/zinc/48/48/62/599484862.db2.gz NHKIOCOJBJMNGN-UHFFFAOYSA-N 0 3 398.452 0.494 20 0 GCADHN NS(=O)(=O)c1ccc(CC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737765127 599484865 /nfs/dbraw/zinc/48/48/65/599484865.db2.gz NHKIOCOJBJMNGN-UHFFFAOYSA-N 0 3 398.452 0.494 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823161569 599487323 /nfs/dbraw/zinc/48/73/23/599487323.db2.gz OIEYEVZNWFGVGS-OAHLLOKOSA-N 0 3 397.483 0.931 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823161569 599487326 /nfs/dbraw/zinc/48/73/26/599487326.db2.gz OIEYEVZNWFGVGS-OAHLLOKOSA-N 0 3 397.483 0.931 20 0 GCADHN CS(=O)(=O)N1CCC(C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000737165064 599489268 /nfs/dbraw/zinc/48/92/68/599489268.db2.gz DZFBMGQOWVSBER-UHFFFAOYSA-N 0 3 390.473 0.276 20 0 GCADHN CS(=O)(=O)N1CCC(C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000737165064 599489271 /nfs/dbraw/zinc/48/92/71/599489271.db2.gz DZFBMGQOWVSBER-UHFFFAOYSA-N 0 3 390.473 0.276 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738022106 599493208 /nfs/dbraw/zinc/49/32/08/599493208.db2.gz CTTPDBUZEMQDRF-HNNXBMFYSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738022106 599493211 /nfs/dbraw/zinc/49/32/11/599493211.db2.gz CTTPDBUZEMQDRF-HNNXBMFYSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738022106 599493214 /nfs/dbraw/zinc/49/32/14/599493214.db2.gz CTTPDBUZEMQDRF-HNNXBMFYSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738022106 599493215 /nfs/dbraw/zinc/49/32/15/599493215.db2.gz CTTPDBUZEMQDRF-HNNXBMFYSA-N 0 3 397.487 0.578 20 0 GCADHN CC[NH+](CC)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821180323 599494399 /nfs/dbraw/zinc/49/43/99/599494399.db2.gz BMESHVGATMHADM-CQSZACIVSA-N 0 3 385.472 0.787 20 0 GCADHN CC[NH+](CC)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821180323 599494402 /nfs/dbraw/zinc/49/44/02/599494402.db2.gz BMESHVGATMHADM-CQSZACIVSA-N 0 3 385.472 0.787 20 0 GCADHN CCC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821088127 599546119 /nfs/dbraw/zinc/54/61/19/599546119.db2.gz JWKLTTWKKCICQY-CQSZACIVSA-N 0 3 385.472 0.787 20 0 GCADHN CCC[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821088127 599546121 /nfs/dbraw/zinc/54/61/21/599546121.db2.gz JWKLTTWKKCICQY-CQSZACIVSA-N 0 3 385.472 0.787 20 0 GCADHN CCC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821088127 599546123 /nfs/dbraw/zinc/54/61/23/599546123.db2.gz JWKLTTWKKCICQY-CQSZACIVSA-N 0 3 385.472 0.787 20 0 GCADHN CCC[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821088127 599546125 /nfs/dbraw/zinc/54/61/25/599546125.db2.gz JWKLTTWKKCICQY-CQSZACIVSA-N 0 3 385.472 0.787 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895383 599567644 /nfs/dbraw/zinc/56/76/44/599567644.db2.gz QDOGASBYFYGNPH-ZDUSSCGKSA-N 0 3 391.501 0.969 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895383 599567646 /nfs/dbraw/zinc/56/76/46/599567646.db2.gz QDOGASBYFYGNPH-ZDUSSCGKSA-N 0 3 391.501 0.969 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895382 599567726 /nfs/dbraw/zinc/56/77/26/599567726.db2.gz QDOGASBYFYGNPH-CYBMUJFWSA-N 0 3 391.501 0.969 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895382 599567729 /nfs/dbraw/zinc/56/77/29/599567729.db2.gz QDOGASBYFYGNPH-CYBMUJFWSA-N 0 3 391.501 0.969 20 0 GCADHN C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000736224489 599580155 /nfs/dbraw/zinc/58/01/55/599580155.db2.gz SEGQRKCIGOTJOR-KXBFYZLASA-N 0 3 396.455 0.371 20 0 GCADHN C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000736224489 599580157 /nfs/dbraw/zinc/58/01/57/599580157.db2.gz SEGQRKCIGOTJOR-KXBFYZLASA-N 0 3 396.455 0.371 20 0 GCADHN O=C1CN(CN2CC[N@@H+]3CCC[C@H]3C2)C(=O)N1Cc1ccccc1-c1nnn[n-]1 ZINC000738308352 599580539 /nfs/dbraw/zinc/58/05/39/599580539.db2.gz ZEOCLCNGUBWYMA-HNNXBMFYSA-N 0 3 396.455 0.368 20 0 GCADHN O=C1CN(CN2CC[N@H+]3CCC[C@H]3C2)C(=O)N1Cc1ccccc1-c1nnn[n-]1 ZINC000738308352 599580541 /nfs/dbraw/zinc/58/05/41/599580541.db2.gz ZEOCLCNGUBWYMA-HNNXBMFYSA-N 0 3 396.455 0.368 20 0 GCADHN O=C1CN(CN2CC[N@@H+]3CCC[C@H]3C2)C(=O)N1Cc1ccccc1-c1nn[n-]n1 ZINC000738308352 599580545 /nfs/dbraw/zinc/58/05/45/599580545.db2.gz ZEOCLCNGUBWYMA-HNNXBMFYSA-N 0 3 396.455 0.368 20 0 GCADHN O=C1CN(CN2CC[N@H+]3CCC[C@H]3C2)C(=O)N1Cc1ccccc1-c1nn[n-]n1 ZINC000738308352 599580548 /nfs/dbraw/zinc/58/05/48/599580548.db2.gz ZEOCLCNGUBWYMA-HNNXBMFYSA-N 0 3 396.455 0.368 20 0 GCADHN C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821622071 599607164 /nfs/dbraw/zinc/60/71/64/599607164.db2.gz RBIXJOVWJZGVBH-SECBINFHSA-N 0 3 397.361 0.892 20 0 GCADHN C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821622071 599607165 /nfs/dbraw/zinc/60/71/65/599607165.db2.gz RBIXJOVWJZGVBH-SECBINFHSA-N 0 3 397.361 0.892 20 0 GCADHN C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821622071 599607166 /nfs/dbraw/zinc/60/71/66/599607166.db2.gz RBIXJOVWJZGVBH-SECBINFHSA-N 0 3 397.361 0.892 20 0 GCADHN C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821622071 599607167 /nfs/dbraw/zinc/60/71/67/599607167.db2.gz RBIXJOVWJZGVBH-SECBINFHSA-N 0 3 397.361 0.892 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1-c1nn[n-]n1 ZINC000822319597 599607859 /nfs/dbraw/zinc/60/78/59/599607859.db2.gz UJASBNZYBSPQLK-QWHCGFSZSA-N 0 3 385.428 0.093 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1-c1nn[n-]n1 ZINC000822319597 599607861 /nfs/dbraw/zinc/60/78/61/599607861.db2.gz UJASBNZYBSPQLK-QWHCGFSZSA-N 0 3 385.428 0.093 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000821755889 599614396 /nfs/dbraw/zinc/61/43/96/599614396.db2.gz JYBQREMXVIFVMU-AGUYFDCRSA-N 0 3 399.455 0.945 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000821755889 599614397 /nfs/dbraw/zinc/61/43/97/599614397.db2.gz JYBQREMXVIFVMU-AGUYFDCRSA-N 0 3 399.455 0.945 20 0 GCADHN CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821160286 599617382 /nfs/dbraw/zinc/61/73/82/599617382.db2.gz ITPRMHPHRJGWPQ-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821160286 599617384 /nfs/dbraw/zinc/61/73/84/599617384.db2.gz ITPRMHPHRJGWPQ-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821160286 599617386 /nfs/dbraw/zinc/61/73/86/599617386.db2.gz ITPRMHPHRJGWPQ-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821160286 599617387 /nfs/dbraw/zinc/61/73/87/599617387.db2.gz ITPRMHPHRJGWPQ-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820994162 599668849 /nfs/dbraw/zinc/66/88/49/599668849.db2.gz FQJODWAOIRDPHZ-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820994162 599668850 /nfs/dbraw/zinc/66/88/50/599668850.db2.gz FQJODWAOIRDPHZ-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820994162 599668851 /nfs/dbraw/zinc/66/88/51/599668851.db2.gz FQJODWAOIRDPHZ-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820994162 599668852 /nfs/dbraw/zinc/66/88/52/599668852.db2.gz FQJODWAOIRDPHZ-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820995705 599673314 /nfs/dbraw/zinc/67/33/14/599673314.db2.gz WIFCMKWMSRPHED-UONOGXRCSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820995705 599673315 /nfs/dbraw/zinc/67/33/15/599673315.db2.gz WIFCMKWMSRPHED-UONOGXRCSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820995705 599673316 /nfs/dbraw/zinc/67/33/16/599673316.db2.gz WIFCMKWMSRPHED-UONOGXRCSA-N 0 3 385.476 0.942 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820995705 599673317 /nfs/dbraw/zinc/67/33/17/599673317.db2.gz WIFCMKWMSRPHED-UONOGXRCSA-N 0 3 385.476 0.942 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000821267328 599675730 /nfs/dbraw/zinc/67/57/30/599675730.db2.gz MNNKQGLDYGJPKR-HNNXBMFYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000821267328 599675731 /nfs/dbraw/zinc/67/57/31/599675731.db2.gz MNNKQGLDYGJPKR-HNNXBMFYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000821267328 599675732 /nfs/dbraw/zinc/67/57/32/599675732.db2.gz MNNKQGLDYGJPKR-HNNXBMFYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000821267328 599675733 /nfs/dbraw/zinc/67/57/33/599675733.db2.gz MNNKQGLDYGJPKR-HNNXBMFYSA-N 0 3 385.476 0.578 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC[N@@H+]1C ZINC000820658213 599676303 /nfs/dbraw/zinc/67/63/03/599676303.db2.gz RCTWGHWTHQPKBP-DZGCQCFKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC[N@H+]1C ZINC000820658213 599676304 /nfs/dbraw/zinc/67/63/04/599676304.db2.gz RCTWGHWTHQPKBP-DZGCQCFKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC[N@@H+]1C ZINC000820658213 599676305 /nfs/dbraw/zinc/67/63/05/599676305.db2.gz RCTWGHWTHQPKBP-DZGCQCFKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC[N@H+]1C ZINC000820658213 599676306 /nfs/dbraw/zinc/67/63/06/599676306.db2.gz RCTWGHWTHQPKBP-DZGCQCFKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC[N@@H+]1C ZINC000820658220 599676374 /nfs/dbraw/zinc/67/63/74/599676374.db2.gz RCTWGHWTHQPKBP-ZFWWWQNUSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC[N@H+]1C ZINC000820658220 599676375 /nfs/dbraw/zinc/67/63/75/599676375.db2.gz RCTWGHWTHQPKBP-ZFWWWQNUSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC[N@@H+]1C ZINC000820658220 599676376 /nfs/dbraw/zinc/67/63/76/599676376.db2.gz RCTWGHWTHQPKBP-ZFWWWQNUSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC[N@H+]1C ZINC000820658220 599676377 /nfs/dbraw/zinc/67/63/77/599676377.db2.gz RCTWGHWTHQPKBP-ZFWWWQNUSA-N 0 3 385.476 0.576 20 0 GCADHN Cc1nc(CN(C)[C@H]2CC[N@H+](C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)no1 ZINC000822439675 607444958 /nfs/dbraw/zinc/44/49/58/607444958.db2.gz DGFVWTIXJIIZFK-OLZOCXBDSA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@H]2CC[N@@H+](C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)no1 ZINC000822439675 607444959 /nfs/dbraw/zinc/44/49/59/607444959.db2.gz DGFVWTIXJIIZFK-OLZOCXBDSA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@H]2CC[N@H+](C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)no1 ZINC000822439675 607444961 /nfs/dbraw/zinc/44/49/61/607444961.db2.gz DGFVWTIXJIIZFK-OLZOCXBDSA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@H]2CC[N@@H+](C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)no1 ZINC000822439675 607444963 /nfs/dbraw/zinc/44/49/63/607444963.db2.gz DGFVWTIXJIIZFK-OLZOCXBDSA-N 0 3 399.463 0.003 20 0 GCADHN Cc1cnc(CN(C)[C@H]2CC[N@H+](C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)o1 ZINC000822388915 607445445 /nfs/dbraw/zinc/44/54/45/607445445.db2.gz GEPLQLDVHPXGKH-KGLIPLIRSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@H]2CC[N@@H+](C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)o1 ZINC000822388915 607445446 /nfs/dbraw/zinc/44/54/46/607445446.db2.gz GEPLQLDVHPXGKH-KGLIPLIRSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@H]2CC[N@H+](C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)o1 ZINC000822388915 607445449 /nfs/dbraw/zinc/44/54/49/607445449.db2.gz GEPLQLDVHPXGKH-KGLIPLIRSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@H]2CC[N@@H+](C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)o1 ZINC000822388915 607445451 /nfs/dbraw/zinc/44/54/51/607445451.db2.gz GEPLQLDVHPXGKH-KGLIPLIRSA-N 0 3 398.475 0.608 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1-c1nnn[n-]1 ZINC000826194329 607482261 /nfs/dbraw/zinc/48/22/61/607482261.db2.gz JDNZRBCDQYUFKT-HNNXBMFYSA-N 0 3 386.456 0.946 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1-c1nnn[n-]1 ZINC000826194329 607482263 /nfs/dbraw/zinc/48/22/63/607482263.db2.gz JDNZRBCDQYUFKT-HNNXBMFYSA-N 0 3 386.456 0.946 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000826194329 607482265 /nfs/dbraw/zinc/48/22/65/607482265.db2.gz JDNZRBCDQYUFKT-HNNXBMFYSA-N 0 3 386.456 0.946 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000826194329 607482267 /nfs/dbraw/zinc/48/22/67/607482267.db2.gz JDNZRBCDQYUFKT-HNNXBMFYSA-N 0 3 386.456 0.946 20 0 GCADHN O=C1[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCCN1CC(F)(F)F ZINC000823510872 607496874 /nfs/dbraw/zinc/49/68/74/607496874.db2.gz BNSLJLOVXGAYGD-MWLCHTKSSA-N 0 3 399.381 0.248 20 0 GCADHN O=C1[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCCN1CC(F)(F)F ZINC000823510866 607497211 /nfs/dbraw/zinc/49/72/11/607497211.db2.gz BNSLJLOVXGAYGD-GXSJLCMTSA-N 0 3 399.381 0.248 20 0 GCADHN O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826432891 607510414 /nfs/dbraw/zinc/51/04/14/607510414.db2.gz OSQFXBRIIMLKOW-MRXNPFEDSA-N 0 3 379.424 0.411 20 0 GCADHN O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826432891 607510417 /nfs/dbraw/zinc/51/04/17/607510417.db2.gz OSQFXBRIIMLKOW-MRXNPFEDSA-N 0 3 379.424 0.411 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1-c1nnn[n-]1 ZINC000826194728 607513706 /nfs/dbraw/zinc/51/37/06/607513706.db2.gz UOSBWQJAPBSASG-KZULUSFZSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1-c1nnn[n-]1 ZINC000826194728 607513707 /nfs/dbraw/zinc/51/37/07/607513707.db2.gz UOSBWQJAPBSASG-KZULUSFZSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1-c1nn[n-]n1 ZINC000826194728 607513708 /nfs/dbraw/zinc/51/37/08/607513708.db2.gz UOSBWQJAPBSASG-KZULUSFZSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1-c1nn[n-]n1 ZINC000826194728 607513710 /nfs/dbraw/zinc/51/37/10/607513710.db2.gz UOSBWQJAPBSASG-KZULUSFZSA-N 0 3 385.428 0.685 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825849396 607525248 /nfs/dbraw/zinc/52/52/48/607525248.db2.gz LDEQXRPZXUIUMR-KZNAEPCWSA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825849396 607525250 /nfs/dbraw/zinc/52/52/50/607525250.db2.gz LDEQXRPZXUIUMR-KZNAEPCWSA-N 0 3 399.499 0.666 20 0 GCADHN COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826111472 607525409 /nfs/dbraw/zinc/52/54/09/607525409.db2.gz FZADABPXUFIONX-INIZCTEOSA-N 0 3 388.428 0.441 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@H+](C)CCO)CC2)c1-c1nnn[n-]1 ZINC000826301584 607535485 /nfs/dbraw/zinc/53/54/85/607535485.db2.gz JGNJCGKGFVVBGK-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)c1-c1nnn[n-]1 ZINC000826301584 607535487 /nfs/dbraw/zinc/53/54/87/607535487.db2.gz JGNJCGKGFVVBGK-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@H+](C)CCO)CC2)c1-c1nn[n-]n1 ZINC000826301584 607535488 /nfs/dbraw/zinc/53/54/88/607535488.db2.gz JGNJCGKGFVVBGK-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@@H+](C)CCO)CC2)c1-c1nn[n-]n1 ZINC000826301584 607535489 /nfs/dbraw/zinc/53/54/89/607535489.db2.gz JGNJCGKGFVVBGK-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825848275 607556438 /nfs/dbraw/zinc/55/64/38/607556438.db2.gz BLXMWITUTRVMJF-FVQBIDKESA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825848275 607556440 /nfs/dbraw/zinc/55/64/40/607556440.db2.gz BLXMWITUTRVMJF-FVQBIDKESA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825849796 607615200 /nfs/dbraw/zinc/61/52/00/607615200.db2.gz MSSIAYYDCJPXPT-UKPHBRMFSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825849796 607615202 /nfs/dbraw/zinc/61/52/02/607615202.db2.gz MSSIAYYDCJPXPT-UKPHBRMFSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCOCC1 ZINC000825850726 607616747 /nfs/dbraw/zinc/61/67/47/607616747.db2.gz RGQRZWVOMJJTHO-UHFFFAOYSA-N 0 3 384.437 0.395 20 0 GCADHN COc1ccc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1-c1nnn[n-]1 ZINC000826199566 607624183 /nfs/dbraw/zinc/62/41/83/607624183.db2.gz DDBXUZNBRMKRIN-AWEZNQCLSA-N 0 3 389.460 0.521 20 0 GCADHN COc1ccc(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1-c1nn[n-]n1 ZINC000826199566 607624184 /nfs/dbraw/zinc/62/41/84/607624184.db2.gz DDBXUZNBRMKRIN-AWEZNQCLSA-N 0 3 389.460 0.521 20 0 GCADHN COc1ccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1-c1nnn[n-]1 ZINC000826198298 607625183 /nfs/dbraw/zinc/62/51/83/607625183.db2.gz UJIUEUPLPTWVQB-CYBMUJFWSA-N 0 3 375.433 0.347 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825923454 607637814 /nfs/dbraw/zinc/63/78/14/607637814.db2.gz IIGZQHPTLMURAA-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825923454 607637815 /nfs/dbraw/zinc/63/78/15/607637815.db2.gz IIGZQHPTLMURAA-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825923454 607637816 /nfs/dbraw/zinc/63/78/16/607637816.db2.gz IIGZQHPTLMURAA-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825923454 607637817 /nfs/dbraw/zinc/63/78/17/607637817.db2.gz IIGZQHPTLMURAA-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000825870172 607645671 /nfs/dbraw/zinc/64/56/71/607645671.db2.gz CNPSNKVVMOUICH-UHFFFAOYSA-N 0 3 380.474 0.598 20 0 GCADHN C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000825870172 607645673 /nfs/dbraw/zinc/64/56/73/607645673.db2.gz CNPSNKVVMOUICH-UHFFFAOYSA-N 0 3 380.474 0.598 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000826504109 607749016 /nfs/dbraw/zinc/74/90/16/607749016.db2.gz NHEFPFZKOKAWJS-GOEBONIOSA-N 0 3 384.444 0.610 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000826504109 607749017 /nfs/dbraw/zinc/74/90/17/607749017.db2.gz NHEFPFZKOKAWJS-GOEBONIOSA-N 0 3 384.444 0.610 20 0 GCADHN C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821596126 606118040 /nfs/dbraw/zinc/11/80/40/606118040.db2.gz AFIOZDHGKNZIBS-CQSZACIVSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821596126 606118043 /nfs/dbraw/zinc/11/80/43/606118043.db2.gz AFIOZDHGKNZIBS-CQSZACIVSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821596126 606118046 /nfs/dbraw/zinc/11/80/46/606118046.db2.gz AFIOZDHGKNZIBS-CQSZACIVSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821596126 606118047 /nfs/dbraw/zinc/11/80/47/606118047.db2.gz AFIOZDHGKNZIBS-CQSZACIVSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821596318 606118510 /nfs/dbraw/zinc/11/85/10/606118510.db2.gz GTZDTXZRCXWVPQ-CQSZACIVSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821596318 606118511 /nfs/dbraw/zinc/11/85/11/606118511.db2.gz GTZDTXZRCXWVPQ-CQSZACIVSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821596318 606118512 /nfs/dbraw/zinc/11/85/12/606118512.db2.gz GTZDTXZRCXWVPQ-CQSZACIVSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821596318 606118513 /nfs/dbraw/zinc/11/85/13/606118513.db2.gz GTZDTXZRCXWVPQ-CQSZACIVSA-N 0 3 383.456 0.996 20 0 GCADHN C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821582909 606126856 /nfs/dbraw/zinc/12/68/56/606126856.db2.gz BSPIUFAZQBFIJD-AWEZNQCLSA-N 0 3 381.444 0.801 20 0 GCADHN C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821582909 606126858 /nfs/dbraw/zinc/12/68/58/606126858.db2.gz BSPIUFAZQBFIJD-AWEZNQCLSA-N 0 3 381.444 0.801 20 0 GCADHN O=C(CN1CCN(C2CCOCC2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822997894 606160800 /nfs/dbraw/zinc/16/08/00/606160800.db2.gz WZPVUMWZSAXKEF-UHFFFAOYSA-N 0 3 385.472 0.280 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000820480455 606196541 /nfs/dbraw/zinc/19/65/41/606196541.db2.gz KMGZWOURXALHOV-AWEZNQCLSA-N 0 3 388.472 0.797 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000820480455 606196542 /nfs/dbraw/zinc/19/65/42/606196542.db2.gz KMGZWOURXALHOV-AWEZNQCLSA-N 0 3 388.472 0.797 20 0 GCADHN CC(=O)N1CCC([NH2+][C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000819789547 606297864 /nfs/dbraw/zinc/29/78/64/606297864.db2.gz TVBVNQBEMGZRGK-CYBMUJFWSA-N 0 3 375.458 0.634 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820760335 606333615 /nfs/dbraw/zinc/33/36/15/606333615.db2.gz QDHLQSBKGATJEM-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820760335 606333616 /nfs/dbraw/zinc/33/36/16/606333616.db2.gz QDHLQSBKGATJEM-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820760335 606333617 /nfs/dbraw/zinc/33/36/17/606333617.db2.gz QDHLQSBKGATJEM-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820760335 606333618 /nfs/dbraw/zinc/33/36/18/606333618.db2.gz QDHLQSBKGATJEM-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000820753085 606334018 /nfs/dbraw/zinc/33/40/18/606334018.db2.gz WFADAPLRBPTBCS-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000820753085 606334020 /nfs/dbraw/zinc/33/40/20/606334020.db2.gz WFADAPLRBPTBCS-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000820753085 606334022 /nfs/dbraw/zinc/33/40/22/606334022.db2.gz WFADAPLRBPTBCS-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000820753085 606334024 /nfs/dbraw/zinc/33/40/24/606334024.db2.gz WFADAPLRBPTBCS-RHSMWYFYSA-N 0 3 385.472 0.848 20 0 GCADHN C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCSC1 ZINC000821581094 606385949 /nfs/dbraw/zinc/38/59/49/606385949.db2.gz CFPNASJHWWMSIM-MRXNPFEDSA-N 0 3 393.448 0.498 20 0 GCADHN CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821109686 606398118 /nfs/dbraw/zinc/39/81/18/606398118.db2.gz MQQOYTSBKRJOTR-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821109686 606398120 /nfs/dbraw/zinc/39/81/20/606398120.db2.gz MQQOYTSBKRJOTR-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821109686 606398121 /nfs/dbraw/zinc/39/81/21/606398121.db2.gz MQQOYTSBKRJOTR-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821109686 606398123 /nfs/dbraw/zinc/39/81/23/606398123.db2.gz MQQOYTSBKRJOTR-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823337008 606403924 /nfs/dbraw/zinc/40/39/24/606403924.db2.gz FBHQCJLVADLPIU-LBPRGKRZSA-N 0 3 387.419 0.889 20 0 GCADHN O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823337008 606403926 /nfs/dbraw/zinc/40/39/26/606403926.db2.gz FBHQCJLVADLPIU-LBPRGKRZSA-N 0 3 387.419 0.889 20 0 GCADHN CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821160963 606404681 /nfs/dbraw/zinc/40/46/81/606404681.db2.gz SDCPDUHYRMOQIC-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821160963 606404683 /nfs/dbraw/zinc/40/46/83/606404683.db2.gz SDCPDUHYRMOQIC-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821160963 606404685 /nfs/dbraw/zinc/40/46/85/606404685.db2.gz SDCPDUHYRMOQIC-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821160963 606404686 /nfs/dbraw/zinc/40/46/86/606404686.db2.gz SDCPDUHYRMOQIC-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821581683 606614572 /nfs/dbraw/zinc/61/45/72/606614572.db2.gz SCBBREFLJVJIJV-JQWIXIFHSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821581683 606614573 /nfs/dbraw/zinc/61/45/73/606614573.db2.gz SCBBREFLJVJIJV-JQWIXIFHSA-N 0 3 375.408 0.933 20 0 GCADHN COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000821756750 606615358 /nfs/dbraw/zinc/61/53/58/606615358.db2.gz RIRRGCUGLZBCTJ-STQMWFEESA-N 0 3 387.444 0.803 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000821756750 606615359 /nfs/dbraw/zinc/61/53/59/606615359.db2.gz RIRRGCUGLZBCTJ-STQMWFEESA-N 0 3 387.444 0.803 20 0 GCADHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822997800 606618982 /nfs/dbraw/zinc/61/89/82/606618982.db2.gz VHHYOJVLILJUQT-INIZCTEOSA-N 0 3 385.472 0.137 20 0 GCADHN O=c1[nH]c2ccccc2n1CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000823656758 606631337 /nfs/dbraw/zinc/63/13/37/606631337.db2.gz GZLCHLTUCTZVCV-NSHDSACASA-N 0 3 380.416 0.450 20 0 GCADHN O=c1[nH]c2ccccc2n1CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000823656758 606631338 /nfs/dbraw/zinc/63/13/38/606631338.db2.gz GZLCHLTUCTZVCV-NSHDSACASA-N 0 3 380.416 0.450 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000821755984 606636046 /nfs/dbraw/zinc/63/60/46/606636046.db2.gz LDJMKNTWUNHXFG-JQWIXIFHSA-N 0 3 385.428 0.555 20 0 GCADHN C[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)C(C)(C)C[NH+](C)C ZINC000820366006 606639874 /nfs/dbraw/zinc/63/98/74/606639874.db2.gz MYNBPFCOMGWATP-GFCCVEGCSA-N 0 3 375.481 0.949 20 0 GCADHN C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)C(C)(C)C[NH+](C)C ZINC000820366006 606639875 /nfs/dbraw/zinc/63/98/75/606639875.db2.gz MYNBPFCOMGWATP-GFCCVEGCSA-N 0 3 375.481 0.949 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC000821624140 606685969 /nfs/dbraw/zinc/68/59/69/606685969.db2.gz ZQLLXXQTFLLASL-CYBMUJFWSA-N 0 3 391.426 0.997 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC000821624140 606685970 /nfs/dbraw/zinc/68/59/70/606685970.db2.gz ZQLLXXQTFLLASL-CYBMUJFWSA-N 0 3 391.426 0.997 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC000821624140 606685971 /nfs/dbraw/zinc/68/59/71/606685971.db2.gz ZQLLXXQTFLLASL-CYBMUJFWSA-N 0 3 391.426 0.997 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC000821624140 606685972 /nfs/dbraw/zinc/68/59/72/606685972.db2.gz ZQLLXXQTFLLASL-CYBMUJFWSA-N 0 3 391.426 0.997 20 0 GCADHN CC(C)(C)OC(=O)N1CC([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000819933416 606723932 /nfs/dbraw/zinc/72/39/32/606723932.db2.gz QWGYGVXRIXLUIQ-JTQLQIEISA-N 0 3 375.437 0.314 20 0 GCADHN CC(C)(C)OC(=O)N1CC([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000819933416 606723933 /nfs/dbraw/zinc/72/39/33/606723933.db2.gz QWGYGVXRIXLUIQ-JTQLQIEISA-N 0 3 375.437 0.314 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820480670 606762911 /nfs/dbraw/zinc/76/29/11/606762911.db2.gz MMLXGBDFVFPEBY-LLVKDONJSA-N 0 3 398.464 0.472 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820480670 606762913 /nfs/dbraw/zinc/76/29/13/606762913.db2.gz MMLXGBDFVFPEBY-LLVKDONJSA-N 0 3 398.464 0.472 20 0 GCADHN C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C[C@H]1[NH+](C)C ZINC000820760054 606769188 /nfs/dbraw/zinc/76/91/88/606769188.db2.gz PERDGTSRHLKGHF-CZUORRHYSA-N 0 3 398.471 0.470 20 0 GCADHN COc1ccccc1N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821897769 606774245 /nfs/dbraw/zinc/77/42/45/606774245.db2.gz KJXHCDUWPWEMOR-KGLIPLIRSA-N 0 3 395.471 0.982 20 0 GCADHN COc1ccccc1N1CC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821897769 606774247 /nfs/dbraw/zinc/77/42/47/606774247.db2.gz KJXHCDUWPWEMOR-KGLIPLIRSA-N 0 3 395.471 0.982 20 0 GCADHN CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000820091988 606808933 /nfs/dbraw/zinc/80/89/33/606808933.db2.gz DEZYCCHEIWGZBO-LBPRGKRZSA-N 0 3 379.490 0.904 20 0 GCADHN CC(C)C[N@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000820091988 606808934 /nfs/dbraw/zinc/80/89/34/606808934.db2.gz DEZYCCHEIWGZBO-LBPRGKRZSA-N 0 3 379.490 0.904 20 0 GCADHN CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000820091988 606808936 /nfs/dbraw/zinc/80/89/36/606808936.db2.gz DEZYCCHEIWGZBO-LBPRGKRZSA-N 0 3 379.490 0.904 20 0 GCADHN CC(C)C[N@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000820091988 606808938 /nfs/dbraw/zinc/80/89/38/606808938.db2.gz DEZYCCHEIWGZBO-LBPRGKRZSA-N 0 3 379.490 0.904 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000820753318 606810426 /nfs/dbraw/zinc/81/04/26/606810426.db2.gz XXODHZAHAQSDRS-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000820753318 606810427 /nfs/dbraw/zinc/81/04/27/606810427.db2.gz XXODHZAHAQSDRS-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000820753318 606810428 /nfs/dbraw/zinc/81/04/28/606810428.db2.gz XXODHZAHAQSDRS-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000820753318 606810429 /nfs/dbraw/zinc/81/04/29/606810429.db2.gz XXODHZAHAQSDRS-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C[C@H]1[NH+](C)C ZINC000820736132 606837400 /nfs/dbraw/zinc/83/74/00/606837400.db2.gz XTLRQEVPPQKERV-TVQRCGJNSA-N 0 3 377.836 0.867 20 0 GCADHN CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000820750308 606838520 /nfs/dbraw/zinc/83/85/20/606838520.db2.gz ARGPZXUFIWNLEB-HZMBPMFUSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000820750308 606838521 /nfs/dbraw/zinc/83/85/21/606838521.db2.gz ARGPZXUFIWNLEB-HZMBPMFUSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000820750308 606838523 /nfs/dbraw/zinc/83/85/23/606838523.db2.gz ARGPZXUFIWNLEB-HZMBPMFUSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000820750308 606838525 /nfs/dbraw/zinc/83/85/25/606838525.db2.gz ARGPZXUFIWNLEB-HZMBPMFUSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820750377 606838547 /nfs/dbraw/zinc/83/85/47/606838547.db2.gz BDRIZLJCSXDKQN-IINYFYTJSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820750377 606838548 /nfs/dbraw/zinc/83/85/48/606838548.db2.gz BDRIZLJCSXDKQN-IINYFYTJSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820750377 606838550 /nfs/dbraw/zinc/83/85/50/606838550.db2.gz BDRIZLJCSXDKQN-IINYFYTJSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820750377 606838553 /nfs/dbraw/zinc/83/85/53/606838553.db2.gz BDRIZLJCSXDKQN-IINYFYTJSA-N 0 3 375.408 0.789 20 0 GCADHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696782 606863278 /nfs/dbraw/zinc/86/32/78/606863278.db2.gz PRVGQRCSGJMYGC-RYUDHWBXSA-N 0 3 397.443 0.536 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821691539 606888055 /nfs/dbraw/zinc/88/80/55/606888055.db2.gz YAYVKKXUZXRMOL-XYPHTWIQSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821691539 606888056 /nfs/dbraw/zinc/88/80/56/606888056.db2.gz YAYVKKXUZXRMOL-XYPHTWIQSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691539 606888057 /nfs/dbraw/zinc/88/80/57/606888057.db2.gz YAYVKKXUZXRMOL-XYPHTWIQSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691539 606888058 /nfs/dbraw/zinc/88/80/58/606888058.db2.gz YAYVKKXUZXRMOL-XYPHTWIQSA-N 0 3 388.472 0.763 20 0 GCADHN COC(=O)CC[N@H+](C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000821661776 606905677 /nfs/dbraw/zinc/90/56/77/606905677.db2.gz XWORZEMPPGTVAL-MRXNPFEDSA-N 0 3 375.429 0.944 20 0 GCADHN COC(=O)CC[N@@H+](C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000821661776 606905678 /nfs/dbraw/zinc/90/56/78/606905678.db2.gz XWORZEMPPGTVAL-MRXNPFEDSA-N 0 3 375.429 0.944 20 0 GCADHN COC(=O)CC[N@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000821661776 606905679 /nfs/dbraw/zinc/90/56/79/606905679.db2.gz XWORZEMPPGTVAL-MRXNPFEDSA-N 0 3 375.429 0.944 20 0 GCADHN COC(=O)CC[N@@H+](C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000821661776 606905681 /nfs/dbraw/zinc/90/56/81/606905681.db2.gz XWORZEMPPGTVAL-MRXNPFEDSA-N 0 3 375.429 0.944 20 0 GCADHN CNS(=O)(=O)C[C@H]1CCCN1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821636036 606928493 /nfs/dbraw/zinc/92/84/93/606928493.db2.gz CDLXIOJOIHZTJR-CQSZACIVSA-N 0 3 380.474 0.649 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@@H]2C)CC1 ZINC000819797017 606975168 /nfs/dbraw/zinc/97/51/68/606975168.db2.gz RNUKBWQVDXCHCQ-SCLBCKFNSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@@H]2C)CC1 ZINC000819797017 606975170 /nfs/dbraw/zinc/97/51/70/606975170.db2.gz RNUKBWQVDXCHCQ-SCLBCKFNSA-N 0 3 387.463 0.990 20 0 GCADHN CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000820903424 606986900 /nfs/dbraw/zinc/98/69/00/606986900.db2.gz UMQCDWKIVSLONA-MRXNPFEDSA-N 0 3 399.503 0.968 20 0 GCADHN CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000820903424 606986902 /nfs/dbraw/zinc/98/69/02/606986902.db2.gz UMQCDWKIVSLONA-MRXNPFEDSA-N 0 3 399.503 0.968 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CC[C@@H]1COc3ccccc3O1)C2 ZINC000823801956 607008501 /nfs/dbraw/zinc/00/85/01/607008501.db2.gz DLCJHOSYTOUEMC-QWHCGFSZSA-N 0 3 382.428 0.925 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CC[C@@H]1COc3ccccc3O1)C2 ZINC000823801956 607008503 /nfs/dbraw/zinc/00/85/03/607008503.db2.gz DLCJHOSYTOUEMC-QWHCGFSZSA-N 0 3 382.428 0.925 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1C1CCCCC1 ZINC000823513558 607008779 /nfs/dbraw/zinc/00/87/79/607008779.db2.gz VBWBTISHFMWJAS-DOMZBBRYSA-N 0 3 385.476 0.628 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625430 607031192 /nfs/dbraw/zinc/03/11/92/607031192.db2.gz NMSOAAKPLPNOCP-FZMZJTMJSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625430 607031193 /nfs/dbraw/zinc/03/11/93/607031193.db2.gz NMSOAAKPLPNOCP-FZMZJTMJSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625430 607031194 /nfs/dbraw/zinc/03/11/94/607031194.db2.gz NMSOAAKPLPNOCP-FZMZJTMJSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625430 607031195 /nfs/dbraw/zinc/03/11/95/607031195.db2.gz NMSOAAKPLPNOCP-FZMZJTMJSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625429 607031214 /nfs/dbraw/zinc/03/12/14/607031214.db2.gz NMSOAAKPLPNOCP-BXUZGUMPSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625429 607031215 /nfs/dbraw/zinc/03/12/15/607031215.db2.gz NMSOAAKPLPNOCP-BXUZGUMPSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625429 607031216 /nfs/dbraw/zinc/03/12/16/607031216.db2.gz NMSOAAKPLPNOCP-BXUZGUMPSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625429 607031217 /nfs/dbraw/zinc/03/12/17/607031217.db2.gz NMSOAAKPLPNOCP-BXUZGUMPSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@H+](CCOc1cccc(-c2nnn[n-]2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821604931 607091755 /nfs/dbraw/zinc/09/17/55/607091755.db2.gz NMPPMYPLOOOGKW-UHFFFAOYSA-N 0 3 380.474 0.601 20 0 GCADHN C[N@@H+](CCOc1cccc(-c2nnn[n-]2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821604931 607091756 /nfs/dbraw/zinc/09/17/56/607091756.db2.gz NMPPMYPLOOOGKW-UHFFFAOYSA-N 0 3 380.474 0.601 20 0 GCADHN C[N@H+](CCOc1cccc(-c2nn[n-]n2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821604931 607091757 /nfs/dbraw/zinc/09/17/57/607091757.db2.gz NMPPMYPLOOOGKW-UHFFFAOYSA-N 0 3 380.474 0.601 20 0 GCADHN C[N@@H+](CCOc1cccc(-c2nn[n-]n2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821604931 607091758 /nfs/dbraw/zinc/09/17/58/607091758.db2.gz NMPPMYPLOOOGKW-UHFFFAOYSA-N 0 3 380.474 0.601 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625591 607095269 /nfs/dbraw/zinc/09/52/69/607095269.db2.gz RHAXILWBSRYVRP-XHDPSFHLSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625591 607095271 /nfs/dbraw/zinc/09/52/71/607095271.db2.gz RHAXILWBSRYVRP-XHDPSFHLSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625591 607095273 /nfs/dbraw/zinc/09/52/73/607095273.db2.gz RHAXILWBSRYVRP-XHDPSFHLSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625591 607095275 /nfs/dbraw/zinc/09/52/75/607095275.db2.gz RHAXILWBSRYVRP-XHDPSFHLSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC000821625975 607101105 /nfs/dbraw/zinc/10/11/05/607101105.db2.gz ZNPMSLOYXKBHMC-GJZGRUSLSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC000821625975 607101107 /nfs/dbraw/zinc/10/11/07/607101107.db2.gz ZNPMSLOYXKBHMC-GJZGRUSLSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC000821625975 607101108 /nfs/dbraw/zinc/10/11/08/607101108.db2.gz ZNPMSLOYXKBHMC-GJZGRUSLSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC000821625975 607101110 /nfs/dbraw/zinc/10/11/10/607101110.db2.gz ZNPMSLOYXKBHMC-GJZGRUSLSA-N 0 3 385.476 0.799 20 0 GCADHN C[NH+](C)CCn1nnnc1SCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821587268 607161092 /nfs/dbraw/zinc/16/10/92/607161092.db2.gz OCMKSPNHFLFCKY-UHFFFAOYSA-N 0 3 380.463 0.207 20 0 GCADHN C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000821579478 607181954 /nfs/dbraw/zinc/18/19/54/607181954.db2.gz CFAZMPHQAMTMOB-ZDUSSCGKSA-N 0 3 377.836 0.915 20 0 GCADHN OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000826507505 607821132 /nfs/dbraw/zinc/82/11/32/607821132.db2.gz PZFRIOSXPNMVRY-DUVNUKRYSA-N 0 3 384.444 0.179 20 0 GCADHN OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000826507505 607821133 /nfs/dbraw/zinc/82/11/33/607821133.db2.gz PZFRIOSXPNMVRY-DUVNUKRYSA-N 0 3 384.444 0.179 20 0 GCADHN C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000826021948 607928710 /nfs/dbraw/zinc/92/87/10/607928710.db2.gz GDGBJHNBSBEVLR-HNNXBMFYSA-N 0 3 383.456 0.996 20 0 GCADHN C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000826021948 607928711 /nfs/dbraw/zinc/92/87/11/607928711.db2.gz GDGBJHNBSBEVLR-HNNXBMFYSA-N 0 3 383.456 0.996 20 0 GCADHN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncccc1-c1nnn[n-]1 ZINC000825870664 607934133 /nfs/dbraw/zinc/93/41/33/607934133.db2.gz XLENWXGQYPWIAE-INIZCTEOSA-N 0 3 380.456 0.963 20 0 GCADHN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncccc1-c1nn[n-]n1 ZINC000825870664 607934134 /nfs/dbraw/zinc/93/41/34/607934134.db2.gz XLENWXGQYPWIAE-INIZCTEOSA-N 0 3 380.456 0.963 20 0 GCADHN CC(C)C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)NCC[NH+](C)C ZINC000824274326 608005791 /nfs/dbraw/zinc/00/57/91/608005791.db2.gz GLNRDKKQTPZQMQ-LBPRGKRZSA-N 0 3 379.490 0.751 20 0 GCADHN CC(C)C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)NCC[NH+](C)C ZINC000824274326 608005792 /nfs/dbraw/zinc/00/57/92/608005792.db2.gz GLNRDKKQTPZQMQ-LBPRGKRZSA-N 0 3 379.490 0.751 20 0 GCADHN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000825933340 608034066 /nfs/dbraw/zinc/03/40/66/608034066.db2.gz BYHYFWKWJMJAHP-CQSZACIVSA-N 0 3 381.444 0.842 20 0 GCADHN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000825933340 608034067 /nfs/dbraw/zinc/03/40/67/608034067.db2.gz BYHYFWKWJMJAHP-CQSZACIVSA-N 0 3 381.444 0.842 20 0 GCADHN NS(=O)(=O)CC1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826394533 608040474 /nfs/dbraw/zinc/04/04/74/608040474.db2.gz NOXUZDQFZLCTLK-UHFFFAOYSA-N 0 3 380.474 0.636 20 0 GCADHN C[C@@H]1CN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824985029 608170801 /nfs/dbraw/zinc/17/08/01/608170801.db2.gz QJXCNKZHUUKISV-CRAIPNDOSA-N 0 3 398.515 0.763 20 0 GCADHN C[C@@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824985172 608171128 /nfs/dbraw/zinc/17/11/28/608171128.db2.gz SMWSIADDIAXVFT-CRAIPNDOSA-N 0 3 398.515 0.763 20 0 GCADHN C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824954449 608354764 /nfs/dbraw/zinc/35/47/64/608354764.db2.gz KALAQAFATDCPEI-NSHDSACASA-N 0 3 389.464 0.215 20 0 GCADHN C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824954449 608354765 /nfs/dbraw/zinc/35/47/65/608354765.db2.gz KALAQAFATDCPEI-NSHDSACASA-N 0 3 389.464 0.215 20 0 GCADHN CCS(=O)(=O)C[C@H](C)[NH2+]C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825658868 608507172 /nfs/dbraw/zinc/50/71/72/608507172.db2.gz LDHRLUYGGBKEFD-LBPRGKRZSA-N 0 3 379.490 0.643 20 0 GCADHN CCS(=O)(=O)C[C@H](C)[NH2+]C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825658868 608507173 /nfs/dbraw/zinc/50/71/73/608507173.db2.gz LDHRLUYGGBKEFD-LBPRGKRZSA-N 0 3 379.490 0.643 20 0 GCADHN CN(C)C(=O)N1CCC([NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000825846373 608507227 /nfs/dbraw/zinc/50/72/27/608507227.db2.gz YURWIVJAEYHXSY-UHFFFAOYSA-N 0 3 399.503 0.966 20 0 GCADHN CN(C)C(=O)N1CCC([NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000825846373 608507228 /nfs/dbraw/zinc/50/72/28/608507228.db2.gz YURWIVJAEYHXSY-UHFFFAOYSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)CCNC(=S)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825870393 608527843 /nfs/dbraw/zinc/52/78/43/608527843.db2.gz KJLMYMRZBCVCKB-UHFFFAOYSA-N 0 3 390.517 0.977 20 0 GCADHN C[NH+]1CCC2(CCCN2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826029568 608612766 /nfs/dbraw/zinc/61/27/66/608612766.db2.gz UDUAMDOOVCVGIL-UHFFFAOYSA-N 0 3 385.476 0.943 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826160076 608620824 /nfs/dbraw/zinc/62/08/24/608620824.db2.gz DOQWVOBCQLQSOL-HIFRSBDPSA-N 0 3 398.471 0.878 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826160076 608620827 /nfs/dbraw/zinc/62/08/27/608620827.db2.gz DOQWVOBCQLQSOL-HIFRSBDPSA-N 0 3 398.471 0.878 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824705820 609243712 /nfs/dbraw/zinc/24/37/12/609243712.db2.gz FIDNYLGSIAUPAM-GUYCJALGSA-N 0 3 388.472 0.451 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824705820 609243713 /nfs/dbraw/zinc/24/37/13/609243713.db2.gz FIDNYLGSIAUPAM-GUYCJALGSA-N 0 3 388.472 0.451 20 0 GCADHN C[NH+](C)CCCOC1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825866261 609244024 /nfs/dbraw/zinc/24/40/24/609244024.db2.gz UHYIYVIMUVMDBF-QGZVFWFLSA-N 0 3 388.472 0.859 20 0 GCADHN C[NH+](C)CCCOC1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825866261 609244026 /nfs/dbraw/zinc/24/40/26/609244026.db2.gz UHYIYVIMUVMDBF-QGZVFWFLSA-N 0 3 388.472 0.859 20 0 GCADHN C[NH+](C)CCCOC1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825866259 609244254 /nfs/dbraw/zinc/24/42/54/609244254.db2.gz UHYIYVIMUVMDBF-KRWDZBQOSA-N 0 3 388.472 0.859 20 0 GCADHN C[NH+](C)CCCOC1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825866259 609244255 /nfs/dbraw/zinc/24/42/55/609244255.db2.gz UHYIYVIMUVMDBF-KRWDZBQOSA-N 0 3 388.472 0.859 20 0 GCADHN CC[NH+]1CCC(NC(=O)CSc2nnc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000825453756 609305361 /nfs/dbraw/zinc/30/53/61/609305361.db2.gz WZQLHBHLFVTRLR-UHFFFAOYSA-N 0 3 376.490 0.966 20 0 GCADHN CC[NH+]1CCC(NC(=O)CSc2nnc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000825453756 609305362 /nfs/dbraw/zinc/30/53/62/609305362.db2.gz WZQLHBHLFVTRLR-UHFFFAOYSA-N 0 3 376.490 0.966 20 0 GCADHN O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000826458654 609314102 /nfs/dbraw/zinc/31/41/02/609314102.db2.gz ZPVOACJNWXCLLS-AWEZNQCLSA-N 0 3 397.418 0.520 20 0 GCADHN O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000826458654 609314104 /nfs/dbraw/zinc/31/41/04/609314104.db2.gz ZPVOACJNWXCLLS-AWEZNQCLSA-N 0 3 397.418 0.520 20 0 GCADHN Cn1cc(C[NH2+]CCCNS(C)(=O)=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361970 609335932 /nfs/dbraw/zinc/33/59/32/609335932.db2.gz YBDSAPMTZSWWAE-UHFFFAOYSA-N 0 3 390.473 0.296 20 0 GCADHN Cn1cc(C[NH2+]CCCNS(C)(=O)=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361970 609335934 /nfs/dbraw/zinc/33/59/34/609335934.db2.gz YBDSAPMTZSWWAE-UHFFFAOYSA-N 0 3 390.473 0.296 20 0 GCADHN Cn1cc(C[NH2+][C@@H]2CCCN(CCO)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361264 609338750 /nfs/dbraw/zinc/33/87/50/609338750.db2.gz RAAHSDNUFMLZLO-QGZVFWFLSA-N 0 3 382.472 0.814 20 0 GCADHN CC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000823973561 609412448 /nfs/dbraw/zinc/41/24/48/609412448.db2.gz KSPGXJCXKZOGHZ-QGZVFWFLSA-N 0 3 383.456 0.963 20 0 GCADHN O=C1[C@@H]([NH2+][C@H]2CCc3ncnn3C2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476532 609415501 /nfs/dbraw/zinc/41/55/01/609415501.db2.gz JUZGNILCEQVENK-ZFWWWQNUSA-N 0 3 379.428 0.558 20 0 GCADHN Cn1nc(Br)c2c1ncn(CC(=O)N[C@H]1CCN(C3CC3)C1)c2=O ZINC000066078063 638436266 /nfs/dbraw/zinc/43/62/66/638436266.db2.gz NCYXEERDDQCUJS-VIFPVBQESA-N 0 3 395.261 0.245 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(=O)n(C)cc1Br ZINC000932474808 638444302 /nfs/dbraw/zinc/44/43/02/638444302.db2.gz LXXNDNNJSYVIQB-UHFFFAOYSA-N 0 3 385.306 0.857 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)C[C@@H](C)N1 ZINC000843344401 638447937 /nfs/dbraw/zinc/44/79/37/638447937.db2.gz YYTZOTXVNDIFBU-RNFRBKRXSA-N 0 3 382.305 0.980 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891880649 638515764 /nfs/dbraw/zinc/51/57/64/638515764.db2.gz KVLVIIZJNDFTME-TXEJJXNPSA-N 0 3 390.868 0.903 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CC[C@H]2CO)c1 ZINC000934026881 638519087 /nfs/dbraw/zinc/51/90/87/638519087.db2.gz HYFALAGIMKFTAG-NSHDSACASA-N 0 3 375.878 0.986 20 0 GCADHN CS(=O)(=O)N1CCN(CCNCc2cnc(CC(F)(F)F)s2)CC1 ZINC000892938246 638602642 /nfs/dbraw/zinc/60/26/42/638602642.db2.gz YRBVJEVBKLOENG-UHFFFAOYSA-N 0 3 386.465 0.915 20 0 GCADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cn(C)nc1Br ZINC000893226422 638616203 /nfs/dbraw/zinc/61/62/03/638616203.db2.gz MOTPUDHJUBGRLH-AWEZNQCLSA-N 0 3 375.267 0.602 20 0 GCADHN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1CCNCCNCC1 ZINC000927878924 638684136 /nfs/dbraw/zinc/68/41/36/638684136.db2.gz ALYDVRCFYHCOPW-UHFFFAOYSA-N 0 3 375.256 0.962 20 0 GCADHN C[C@H](CNCc1cn(C)nc1I)N1CCN(C)CC1 ZINC000894241965 638685063 /nfs/dbraw/zinc/68/50/63/638685063.db2.gz FPNQCSYOSLPEER-LLVKDONJSA-N 0 3 377.274 0.750 20 0 GCADHN C[N@H+](CCO)CCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000925011537 638692607 /nfs/dbraw/zinc/69/26/07/638692607.db2.gz MGRVDDGIQPEMKP-UHFFFAOYSA-N 0 3 377.413 0.059 20 0 GCADHN C[N@@H+](CCO)CCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000925011537 638692622 /nfs/dbraw/zinc/69/26/22/638692622.db2.gz MGRVDDGIQPEMKP-UHFFFAOYSA-N 0 3 377.413 0.059 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c(OC)c1 ZINC000262143357 638730954 /nfs/dbraw/zinc/73/09/54/638730954.db2.gz PSHRPLLKHDQKHE-NSHDSACASA-N 0 3 377.488 0.426 20 0 GCADHN CN(C)CCN(C(=S)NCC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000727072324 638732654 /nfs/dbraw/zinc/73/26/54/638732654.db2.gz LWHLVUTWBIKZHW-CQSZACIVSA-N 0 3 378.608 0.499 20 0 GCADHN CC[C@@H](CNC(=S)NCCNS(C)(=O)=O)N1CCc2ccccc2C1 ZINC000727074078 638733747 /nfs/dbraw/zinc/73/37/47/638733747.db2.gz QVJDNJYBHXPIKW-INIZCTEOSA-N 0 3 384.571 0.837 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000262200471 638746132 /nfs/dbraw/zinc/74/61/32/638746132.db2.gz SEOKUCOTCTWTFO-HNNXBMFYSA-N 0 3 399.289 0.946 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1c[nH]nc1I ZINC000895990640 639035784 /nfs/dbraw/zinc/03/57/84/639035784.db2.gz JTZLSOVEZWFXBF-DTWKUNHWSA-N 0 3 376.198 0.607 20 0 GCADHN O=C(NCc1cnc(Br)cn1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000896092084 639039141 /nfs/dbraw/zinc/03/91/41/639039141.db2.gz GJIDYTIVAUHZOI-OLZOCXBDSA-N 0 3 384.278 0.980 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(Br)n1 ZINC000896156046 639039921 /nfs/dbraw/zinc/03/99/21/639039921.db2.gz JKYSVRYPZVZWNK-UHFFFAOYSA-N 0 3 384.278 0.563 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1c[nH]nc1I ZINC000896978519 639077711 /nfs/dbraw/zinc/07/77/11/639077711.db2.gz HRAMBZPQNOOYEY-JTQLQIEISA-N 0 3 390.225 0.997 20 0 GCADHN O=C(CSc1nnnn1CC(F)(F)F)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729972348 639204321 /nfs/dbraw/zinc/20/43/21/639204321.db2.gz XOAZTNLFMBBJJO-NXEZZACHSA-N 0 3 380.396 0.307 20 0 GCADHN O=C(NCc1ncc(Br)cn1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000898380612 639226951 /nfs/dbraw/zinc/22/69/51/639226951.db2.gz RGLQAXOTDOZPDY-QWHCGFSZSA-N 0 3 384.278 0.980 20 0 GCADHN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866762216 639232527 /nfs/dbraw/zinc/23/25/27/639232527.db2.gz LPRTTYWEEABTHL-YUMQZZPRSA-N 0 3 384.243 0.444 20 0 GCADHN CN(CCO)CCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000899731707 639271627 /nfs/dbraw/zinc/27/16/27/639271627.db2.gz HGDTTZTYHTVFTO-LBPRGKRZSA-N 0 3 384.274 0.842 20 0 GCADHN CN1CCN(CCCNC(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000899991726 639280417 /nfs/dbraw/zinc/28/04/17/639280417.db2.gz XWXCWQSSOCGYQI-UHFFFAOYSA-N 0 3 386.543 0.180 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1cn(C)nc1I ZINC000906578638 639325849 /nfs/dbraw/zinc/32/58/49/639325849.db2.gz IAEUPQGXFOBQFB-UHFFFAOYSA-N 0 3 380.230 0.675 20 0 GCADHN Cn1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c(I)n1 ZINC000908202413 639444545 /nfs/dbraw/zinc/44/45/45/639444545.db2.gz OOPMPDAQVJPSTF-ZJUUUORDSA-N 0 3 390.225 0.306 20 0 GCADHN C[NH+]1CCC(N(CCO)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000911936415 639525513 /nfs/dbraw/zinc/52/55/13/639525513.db2.gz JCDDSMCFOCLUMP-UHFFFAOYSA-N 0 3 395.934 0.595 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H](O)c1cccc(Br)c1 ZINC000912461087 639539641 /nfs/dbraw/zinc/53/96/41/639539641.db2.gz HOHKQIGNHISIEX-HNNXBMFYSA-N 0 3 386.290 0.961 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000057089023 639592954 /nfs/dbraw/zinc/59/29/54/639592954.db2.gz XFHBHCPSQKXUAM-GJZGRUSLSA-N 0 3 376.523 0.715 20 0 GCADHN CN1CCC[C@@H](CNS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000914080997 639697148 /nfs/dbraw/zinc/69/71/48/639697148.db2.gz NERRQISAPZLGBC-AWEZNQCLSA-N 0 3 376.523 0.715 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000730539042 639731160 /nfs/dbraw/zinc/73/11/60/639731160.db2.gz GGHYHUHJHSZLHE-BFHYXJOUSA-N 0 3 379.548 0.027 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000730539045 639731215 /nfs/dbraw/zinc/73/12/15/639731215.db2.gz GGHYHUHJHSZLHE-MGPQQGTHSA-N 0 3 379.548 0.027 20 0 GCADHN CN1CCC(NC(=S)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000731949509 639786184 /nfs/dbraw/zinc/78/61/84/639786184.db2.gz JJTUNGXMDRLNOV-AWEZNQCLSA-N 0 3 378.564 0.033 20 0 GCADHN CN1CC[C@@H]2CN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)C[C@@H]2C1 ZINC000916664165 639831734 /nfs/dbraw/zinc/83/17/34/639831734.db2.gz SISIULFGAKIQRK-CABCVRRESA-N 0 3 387.527 0.178 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](C2OCCO2)C1 ZINC000921250750 639933175 /nfs/dbraw/zinc/93/31/75/639933175.db2.gz JSUOQYMQNAQGOI-ZJUUUORDSA-N 0 3 375.365 0.895 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](C2OCCO2)C1 ZINC000921250748 639933302 /nfs/dbraw/zinc/93/33/02/639933302.db2.gz JSUOQYMQNAQGOI-UWVGGRQHSA-N 0 3 375.365 0.895 20 0 GCADHN COCCS(=O)(=O)CCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000733435683 639976974 /nfs/dbraw/zinc/97/69/74/639976974.db2.gz ONCMXDPKSJWJEW-NXEZZACHSA-N 0 3 375.365 0.438 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000745463683 640281643 /nfs/dbraw/zinc/28/16/43/640281643.db2.gz HXKCFQOUMKMKGV-HNNXBMFYSA-N 0 3 376.523 0.715 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)s1 ZINC000747232598 640306244 /nfs/dbraw/zinc/30/62/44/640306244.db2.gz ZYORBAYQXJOFJZ-STQMWFEESA-N 0 3 387.527 0.433 20 0 GCADHN COC(=O)C[C@@H](NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC1 ZINC000754538758 640455768 /nfs/dbraw/zinc/45/57/68/640455768.db2.gz PKDIEMRQDGQBOB-GFCCVEGCSA-N 0 3 389.861 0.857 20 0 GCADHN C[C@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000763432630 640629357 /nfs/dbraw/zinc/62/93/57/640629357.db2.gz UENYVVDKLKFTHM-STQMWFEESA-N 0 3 375.926 0.720 20 0 GCADHN C[C@H](NC[C@@H]1COCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765252668 640666076 /nfs/dbraw/zinc/66/60/76/640666076.db2.gz UGDGKJRGPSTRPV-SWLSCSKDSA-N 0 3 392.499 0.478 20 0 GCADHN C[C@@H](NC[C@@H]1COCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765252667 640666233 /nfs/dbraw/zinc/66/62/33/640666233.db2.gz UGDGKJRGPSTRPV-IUODEOHRSA-N 0 3 392.499 0.478 20 0 GCADHN CCN(CC)CCN(CCOC)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766799223 640704509 /nfs/dbraw/zinc/70/45/09/640704509.db2.gz JTPQVWAZIJFIHZ-UHFFFAOYSA-N 0 3 379.523 0.360 20 0 GCADHN COc1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cnc1Cl ZINC000767745359 640732456 /nfs/dbraw/zinc/73/24/56/640732456.db2.gz HMOKJVAOQGXRHM-NSHDSACASA-N 0 3 390.893 0.609 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cn(C)c(Cl)n2)CC1 ZINC000769898866 640790293 /nfs/dbraw/zinc/79/02/93/640790293.db2.gz SLQNJVHPKHYHGS-UHFFFAOYSA-N 0 3 377.898 0.248 20 0 GCADHN C[C@H](NCCn1cccn1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000772954869 640853209 /nfs/dbraw/zinc/85/32/09/640853209.db2.gz YEEIRNBTKZKUPF-ZDUSSCGKSA-N 0 3 386.499 0.960 20 0 GCADHN C[C@@H](NCCOCCS(C)(=O)=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000773015170 640853786 /nfs/dbraw/zinc/85/37/86/640853786.db2.gz KUXXYVJPVMDSFM-CQSZACIVSA-N 0 3 390.527 0.938 20 0 GCADHN CS[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C[C@H]1N1CCCC1 ZINC000773305516 640862573 /nfs/dbraw/zinc/86/25/73/640862573.db2.gz GJVYGJGRNUYMPO-HUUCEWRRSA-N 0 3 391.559 0.582 20 0 GCADHN O=C(c1cc(I)c[nH]1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861712856 641162557 /nfs/dbraw/zinc/16/25/57/641162557.db2.gz VCLJLONDXICHNU-GHMZBOCLSA-N 0 3 375.210 0.900 20 0 GCADHN CC(C)(C)OC(=O)N1[C@H](CNC[C@@]2(O)CCS(=O)(=O)C2)COC1(C)C ZINC000862383405 641194826 /nfs/dbraw/zinc/19/48/26/641194826.db2.gz RKOLLQHYHWYEGF-WBMJQRKESA-N 0 3 378.491 0.498 20 0 GCADHN CCNS(=O)(=O)CCN[C@H](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000783519159 641270068 /nfs/dbraw/zinc/27/00/68/641270068.db2.gz WKJVYXHMSOQRLL-CYBMUJFWSA-N 0 3 377.507 0.096 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCC[NH+]2CCCC2)c1I ZINC000866427810 641298733 /nfs/dbraw/zinc/29/87/33/641298733.db2.gz NVIRRDOFFYYDDV-UHFFFAOYSA-N 0 3 398.270 0.789 20 0 GCADHN O=C(Cn1ccc(Br)cc1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000866606687 641311668 /nfs/dbraw/zinc/31/16/68/641311668.db2.gz DYCZBOKNZCIYFS-CQSZACIVSA-N 0 3 384.274 0.980 20 0 GCADHN CC(C)[NH2+]CCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866737778 641321042 /nfs/dbraw/zinc/32/10/42/641321042.db2.gz JRWNCJRLXUMABP-UHFFFAOYSA-N 0 3 386.259 0.691 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)c1I ZINC000866738973 641321079 /nfs/dbraw/zinc/32/10/79/641321079.db2.gz UWCUMMQSIDGTPX-MRVPVSSYSA-N 0 3 384.243 0.303 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@H]1CCC[NH2+]C1 ZINC000866738539 641321195 /nfs/dbraw/zinc/32/11/95/641321195.db2.gz ONANWZUDMVMIME-IUCAKERBSA-N 0 3 398.270 0.691 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@H]([NH3+])C2)c1I ZINC000866757108 641325205 /nfs/dbraw/zinc/32/52/05/641325205.db2.gz JITBKWLBRHJLEK-JGVFFNPUSA-N 0 3 384.243 0.573 20 0 GCADHN C[C@H]1CC[NH2+]C[C@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866761324 641326421 /nfs/dbraw/zinc/32/64/21/641326421.db2.gz UDRMQBWWCGPLHS-JGVFFNPUSA-N 0 3 384.243 0.301 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@H](C[NH3+])C(C)(C)C)c1I ZINC000866768767 641328625 /nfs/dbraw/zinc/32/86/25/641328625.db2.gz WUUWJPUJEPWBTG-QMMMGPOBSA-N 0 3 386.259 0.676 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H]2CC[C@H](C[NH3+])C2)c1I ZINC000866769208 641328685 /nfs/dbraw/zinc/32/86/85/641328685.db2.gz KAVJKRSUVAQNES-YUMQZZPRSA-N 0 3 384.243 0.430 20 0 GCADHN CS(=O)(=O)N1CCC[C@H](COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000786484274 641329294 /nfs/dbraw/zinc/32/92/94/641329294.db2.gz AYDZSJGYPPJJNV-GARJFASQSA-N 0 3 386.392 0.658 20 0 GCADHN C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2I)C[NH2+]1 ZINC000866781151 641331338 /nfs/dbraw/zinc/33/13/38/641331338.db2.gz LXRSQGFMEAUBDS-JGVFFNPUSA-N 0 3 384.243 0.444 20 0 GCADHN C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2I)C[NH2+]1 ZINC000866781150 641331545 /nfs/dbraw/zinc/33/15/45/641331545.db2.gz LXRSQGFMEAUBDS-HTQZYQBOSA-N 0 3 384.243 0.444 20 0 GCADHN CC1(C)CCNCCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000866803737 641335477 /nfs/dbraw/zinc/33/54/77/641335477.db2.gz IRAZSGGMBBJPIS-UHFFFAOYSA-N 0 3 379.479 0.960 20 0 GCADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000867582677 641358616 /nfs/dbraw/zinc/35/86/16/641358616.db2.gz WZMHCHSHQPHRFB-IRXDYDNUSA-N 0 3 378.535 0.658 20 0 GCADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000867582672 641358919 /nfs/dbraw/zinc/35/89/19/641358919.db2.gz WZMHCHSHQPHRFB-DLBZAZTESA-N 0 3 378.535 0.658 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCN1C1CCCCCC1 ZINC000867793184 641378745 /nfs/dbraw/zinc/37/87/45/641378745.db2.gz FCUSQJOPAJVJRV-HNNXBMFYSA-N 0 3 381.564 0.642 20 0 GCADHN CC(C)n1ncc(C(=O)NC[C@H]2CNCCO2)c1I ZINC000867980300 641392543 /nfs/dbraw/zinc/39/25/43/641392543.db2.gz UTEQZEBFVIAJHT-SECBINFHSA-N 0 3 378.214 0.787 20 0 GCADHN Cn1ncc(I)c1CNC(=O)CNC[C@@H]1CCCO1 ZINC000868053189 641394465 /nfs/dbraw/zinc/39/44/65/641394465.db2.gz WMFBMQLDDNNERI-VIFPVBQESA-N 0 3 378.214 0.410 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cn1ccc(Br)cc1=O ZINC000869261278 641420555 /nfs/dbraw/zinc/42/05/55/641420555.db2.gz XGQQMJVPIFJPLI-UHFFFAOYSA-N 0 3 387.278 0.089 20 0 GCADHN O=S(=O)(NC[C@@H](O)COc1cccc(Cl)c1Cl)N1CCNCC1 ZINC000923614033 641428819 /nfs/dbraw/zinc/42/88/19/641428819.db2.gz GVROKFCPVSSHAC-SNVBAGLBSA-N 0 3 384.285 0.473 20 0 GCADHN CN1CCC[C@H](N2CCN(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC2)C1 ZINC000872450158 641470255 /nfs/dbraw/zinc/47/02/55/641470255.db2.gz WOHXSDOHBRHVCR-PSLXWICFSA-N 0 3 380.580 0.839 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1)N1CCCCC1 ZINC000793708161 641473266 /nfs/dbraw/zinc/47/32/66/641473266.db2.gz LGYZJBJWYOMMST-GFCCVEGCSA-N 0 3 387.527 0.758 20 0 GCADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000794544737 641492418 /nfs/dbraw/zinc/49/24/18/641492418.db2.gz HKFYMAJWEDMJNT-CQSZACIVSA-N 0 3 379.523 0.523 20 0 GCADHN CN(CCS(N)(=O)=O)C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000874601249 641530315 /nfs/dbraw/zinc/53/03/15/641530315.db2.gz BSEBDIHHWFRHCE-AWEZNQCLSA-N 0 3 375.441 0.891 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)NCc1ccc(Br)cn1 ZINC000875262656 641542012 /nfs/dbraw/zinc/54/20/12/641542012.db2.gz CVOHRIUAYSPXQY-UHFFFAOYSA-N 0 3 387.278 0.545 20 0 GCADHN O=S(=O)(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923656061 641577092 /nfs/dbraw/zinc/57/70/92/641577092.db2.gz WRFISUQNIIQTRA-HNNXBMFYSA-N 0 3 388.515 0.043 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877347271 641578906 /nfs/dbraw/zinc/57/89/06/641578906.db2.gz SGXCUULYLMCARM-HOTGVXAUSA-N 0 3 385.555 0.878 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1F ZINC000877362438 641579426 /nfs/dbraw/zinc/57/94/26/641579426.db2.gz COICCMXAHXIBNA-VHSXEESVSA-N 0 3 383.367 0.943 20 0 GCADHN CN1CCN(CCCCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000798320207 641581759 /nfs/dbraw/zinc/58/17/59/641581759.db2.gz WJRTVMMSQJNNJL-UHFFFAOYSA-N 0 3 388.921 0.745 20 0 GCADHN C[C@H](CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)CN1CCN(C)CC1 ZINC000798326649 641582354 /nfs/dbraw/zinc/58/23/54/641582354.db2.gz KPSXTGYVJGKYPB-GFCCVEGCSA-N 0 3 388.921 0.601 20 0 GCADHN CC[C@@H](Sc1nc(CC(=O)N[C@H]2CCN(CCOC)C2)cs1)C(N)=O ZINC000878775302 641601742 /nfs/dbraw/zinc/60/17/42/641601742.db2.gz ZVSZYOXPBAHLJS-WCQYABFASA-N 0 3 386.543 0.879 20 0 GCADHN C[NH+]1CCC(NC(=S)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000799506765 641607369 /nfs/dbraw/zinc/60/73/69/641607369.db2.gz BWMIACLREWSVNS-UHFFFAOYSA-N 0 3 392.497 0.801 20 0 GCADHN C[NH+](C)CCNC(=S)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000799506243 641607573 /nfs/dbraw/zinc/60/75/73/641607573.db2.gz GQHPBJOOTAPMPS-UHFFFAOYSA-N 0 3 382.914 0.783 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000879185288 641608725 /nfs/dbraw/zinc/60/87/25/641608725.db2.gz JJKKFXWEIYGSBE-ZDUSSCGKSA-N 0 3 398.305 0.490 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000879561469 641615897 /nfs/dbraw/zinc/61/58/97/641615897.db2.gz 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C[C@H](CC(=O)N[C@H](CC[NH3+])C(F)F)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843485048 642372787 /nfs/dbraw/zinc/37/27/87/642372787.db2.gz XYASAVOTDKJXRH-RKDXNWHRSA-N 0 3 384.836 0.891 20 0 GCADHN O=C(CO[C@@H]1CCC[NH2+]C1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000843499050 642374484 /nfs/dbraw/zinc/37/44/84/642374484.db2.gz CRKUCQBJCLFCQU-GFCCVEGCSA-N 0 3 393.868 0.642 20 0 GCADHN CN(CCCCCCN(C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000105570126 642404438 /nfs/dbraw/zinc/40/44/38/642404438.db2.gz FJCMVBBIXSEQKG-HZPDHXFCSA-N 0 3 380.576 0.785 20 0 GCADHN C[C@@H](N[C@@H](CO)CCF)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000846210324 642476937 /nfs/dbraw/zinc/47/69/37/642476937.db2.gz YFKJJCMPYPWAHI-DGCLKSJQSA-N 0 3 382.479 0.783 20 0 GCADHN C[C@H](N[C@H](CO)CCF)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000846210323 642476967 /nfs/dbraw/zinc/47/69/67/642476967.db2.gz YFKJJCMPYPWAHI-AAEUAGOBSA-N 0 3 382.479 0.783 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000867415177 642482602 /nfs/dbraw/zinc/48/26/02/642482602.db2.gz BKUSXXYAHRRUOR-UHFFFAOYSA-N 0 3 379.523 0.620 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1ccc2ncc(I)n2c1 ZINC000854466357 642830057 /nfs/dbraw/zinc/83/00/57/642830057.db2.gz BGYBSCQLEHHOCZ-SNVBAGLBSA-N 0 3 388.209 0.591 20 0 GCADHN Nc1nc(N)nc(NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000858463540 642959412 /nfs/dbraw/zinc/95/94/12/642959412.db2.gz SGFHZFPCLXKWGM-UHFFFAOYSA-N 0 3 378.336 0.820 20 0 GCADHN C[C@@H]([NH3+])CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000858641276 642964667 /nfs/dbraw/zinc/96/46/67/642964667.db2.gz FKVGWYMQWLVJJE-SECBINFHSA-N 0 3 389.421 0.495 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C(C)C)cc1 ZINC000662944315 1192164669 /nfs/dbraw/zinc/16/46/69/1192164669.db2.gz LOGXVWHKEZADJL-BZUAXINKSA-N 0 3 387.477 0.896 20 0 GCADHN C[C@@H](O)[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000661770103 1192180144 /nfs/dbraw/zinc/18/01/44/1192180144.db2.gz SQMZVFFDNHQAOA-GDBMZVCRSA-N 0 3 399.488 0.504 20 0 GCADHN CCCCCCn1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)c(=O)[nH]c1=O ZINC000785298110 1192183061 /nfs/dbraw/zinc/18/30/61/1192183061.db2.gz BFXNMEGXJVQGMV-OKILXGFUSA-N 0 3 384.502 0.711 20 0 GCADHN Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000652326957 1192190262 /nfs/dbraw/zinc/19/02/62/1192190262.db2.gz QAMZLIYHCZSUPP-ZBFHGGJFSA-N 0 3 385.472 0.860 20 0 GCADHN CSCC[C@@H](C(=O)N[C@H](CO)CN(C)C)N1C(=O)c2ccccc2C1=O ZINC000597654519 1192196544 /nfs/dbraw/zinc/19/65/44/1192196544.db2.gz SFNGKTSTLJBDFO-WFASDCNBSA-N 0 3 379.482 0.443 20 0 GCADHN Cn1cccc1C(=O)N1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000661976750 1192209945 /nfs/dbraw/zinc/20/99/45/1192209945.db2.gz VVUPKRSOFVRAQC-QGZVFWFLSA-N 0 3 389.500 0.746 20 0 GCADHN C[C@H]1c2ccsc2CCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652395370 1192211833 /nfs/dbraw/zinc/21/18/33/1192211833.db2.gz RJDJQMITTXOQMV-ZDUSSCGKSA-N 0 3 378.498 0.426 20 0 GCADHN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661985752 1192212309 /nfs/dbraw/zinc/21/23/09/1192212309.db2.gz XGCFTXVYASYCJL-INIZCTEOSA-N 0 3 396.513 0.695 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000049279506 1192213603 /nfs/dbraw/zinc/21/36/03/1192213603.db2.gz FYWKIEITQLSRMC-UHFFFAOYSA-N 0 3 378.473 0.404 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000049279956 1192213614 /nfs/dbraw/zinc/21/36/14/1192213614.db2.gz FISZURZZJZALCC-UHFFFAOYSA-N 0 3 387.484 0.271 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N(C)Cc2ccc(F)cc2Cl)CC1=O ZINC000652439810 1192224784 /nfs/dbraw/zinc/22/47/84/1192224784.db2.gz BHDBEKYLPHGTPA-UHFFFAOYSA-N 0 3 398.866 0.670 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCO[C@H](C3CCCCC3)C2)CC1=O ZINC000652476782 1192230763 /nfs/dbraw/zinc/23/07/63/1192230763.db2.gz FHSDDSAPFBUFRH-KRWDZBQOSA-N 0 3 394.516 0.027 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652487076 1192232613 /nfs/dbraw/zinc/23/26/13/1192232613.db2.gz PMIOBCCWVCHWAM-UHFFFAOYSA-N 0 3 393.532 0.956 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)[C@@H](C)CO1 ZINC000652516721 1192234986 /nfs/dbraw/zinc/23/49/86/1192234986.db2.gz FWBVMYMNMXZBQF-JKSUJKDBSA-N 0 3 382.505 0.025 20 0 GCADHN COCCC1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000636675162 1192251831 /nfs/dbraw/zinc/25/18/31/1192251831.db2.gz VGEHTYXWRQGNCI-KRWDZBQOSA-N 0 3 396.532 0.320 20 0 GCADHN C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000979120039 1192252267 /nfs/dbraw/zinc/25/22/67/1192252267.db2.gz QAPFFJROOQTITE-NXHUNJGVSA-N 0 3 379.501 0.533 20 0 GCADHN COC(=O)CC[C@]1(C)NC(=O)N(C[C@]2(O)CCN(Cc3ccccc3)C2)C1=O ZINC000601960816 1192275238 /nfs/dbraw/zinc/27/52/38/1192275238.db2.gz ZSZJBNADDFHQOF-PMACEKPBSA-N 0 3 389.452 0.887 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2COCC[C@H]2O)c1 ZINC000636718194 1192281771 /nfs/dbraw/zinc/28/17/71/1192281771.db2.gz GYMVSEZVXAACIO-QZTJIDSGSA-N 0 3 381.473 0.593 20 0 GCADHN CN(C)CCN(C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)C1CCCC1 ZINC000429803948 1192279010 /nfs/dbraw/zinc/27/90/10/1192279010.db2.gz DTDQMKHCVZUMOM-UHFFFAOYSA-N 0 3 382.486 0.756 20 0 GCADHN CC(=O)Nc1ccc(OC[C@H](O)CN2CCC(N3CCNC3=O)CC2)cc1 ZINC000051450037 1192279958 /nfs/dbraw/zinc/27/99/58/1192279958.db2.gz PXJFQTKJPZLWMP-QGZVFWFLSA-N 0 3 376.457 0.874 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC(c1nccn1C)c1nccn1C ZINC000636716356 1192281595 /nfs/dbraw/zinc/28/15/95/1192281595.db2.gz MJZVPOBIAKJSLV-AWEZNQCLSA-N 0 3 387.488 0.350 20 0 GCADHN C[C@@H]1CN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C[C@H](CO)O1 ZINC000188585377 1192286454 /nfs/dbraw/zinc/28/64/54/1192286454.db2.gz YHIZKSXYGNUQTD-VQIMIIECSA-N 0 3 376.501 0.725 20 0 GCADHN COC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCCC1)C2 ZINC001719828307 1192286893 /nfs/dbraw/zinc/28/68/93/1192286893.db2.gz CSRDQZDGDNSWGS-ILXRZTDVSA-N 0 3 380.489 0.855 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)NCC2CN(S(C)(=O)=O)C2)CN1Cc1ccccc1 ZINC000188592963 1192287904 /nfs/dbraw/zinc/28/79/04/1192287904.db2.gz DPRMSABQCROVEX-WMLDXEAASA-N 0 3 380.514 0.840 20 0 GCADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)N1CCC(C)CC1 ZINC001719829068 1192290024 /nfs/dbraw/zinc/29/00/24/1192290024.db2.gz OZVOBECFZOPVRG-IKGGRYGDSA-N 0 3 378.517 0.835 20 0 GCADHN COc1cc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)on1 ZINC001719829974 1192293521 /nfs/dbraw/zinc/29/35/21/1192293521.db2.gz DQPLKCHBSPOCGL-KBMXLJTQSA-N 0 3 376.457 0.960 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C[C@@H](CO)O1 ZINC000188628752 1192294487 /nfs/dbraw/zinc/29/44/87/1192294487.db2.gz QXDCQGRGKVMACV-QUCCMNQESA-N 0 3 390.528 0.986 20 0 GCADHN CCOC[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCO1 ZINC000636755671 1192298357 /nfs/dbraw/zinc/29/83/57/1192298357.db2.gz DLZCFXDIDAATOF-GOSISDBHSA-N 0 3 389.496 0.466 20 0 GCADHN CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCNC(=O)C1CC1)C2 ZINC001719833728 1192301419 /nfs/dbraw/zinc/30/14/19/1192301419.db2.gz WZHIECIJYGKXHI-IKGGRYGDSA-N 0 3 378.517 0.881 20 0 GCADHN NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc2c1CNC2 ZINC000662505568 1192308604 /nfs/dbraw/zinc/30/86/04/1192308604.db2.gz WRBIMBPJNKWNJD-GOSISDBHSA-N 0 3 380.448 0.623 20 0 GCADHN CC(C)[C@@H](CNc1nc2cc(S(N)(=O)=O)ccc2[nH]1)N1CCN(C)CC1 ZINC000663376886 1192309460 /nfs/dbraw/zinc/30/94/60/1192309460.db2.gz OBMGLGMZKQTCLV-MRXNPFEDSA-N 0 3 380.518 0.894 20 0 GCADHN NCc1nnc(-c2ccc(NC(=O)CC3(n4cnnn4)CCOCC3)cc2)[nH]1 ZINC000662557605 1192312518 /nfs/dbraw/zinc/31/25/18/1192312518.db2.gz JYDFYXTWYOOPFW-UHFFFAOYSA-N 0 3 383.416 0.451 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001719836044 1192314039 /nfs/dbraw/zinc/31/40/39/1192314039.db2.gz HWIZILMPECROJZ-ICUGJSFKSA-N 0 3 378.517 0.832 20 0 GCADHN C[C@@H](CNC(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1)CN1CCN(C)CC1 ZINC000636847059 1192327695 /nfs/dbraw/zinc/32/76/95/1192327695.db2.gz LXTCYGBEPMNXBQ-RDJZCZTQSA-N 0 3 379.549 0.816 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCNC(=O)C1)C2 ZINC001719838924 1192330892 /nfs/dbraw/zinc/33/08/92/1192330892.db2.gz PTIPDYHOCJDWAS-XGKMFUNXSA-N 0 3 378.517 0.881 20 0 GCADHN CN1CCC2(CC1)CN(S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)CCO2 ZINC000867452488 1192332827 /nfs/dbraw/zinc/33/28/27/1192332827.db2.gz DVBOOIKKESUKRC-UHFFFAOYSA-N 0 3 389.518 0.732 20 0 GCADHN CN(c1ccc(CNC(=O)N[C@H]2CCCN(CCCO)C2)cc1)S(C)(=O)=O ZINC000655527721 1192341058 /nfs/dbraw/zinc/34/10/58/1192341058.db2.gz OKMHZJREEBNQLQ-INIZCTEOSA-N 0 3 398.529 0.728 20 0 GCADHN CN(c1ccc(CNC(=O)N[C@@H]2CCCN(CCCO)C2)cc1)S(C)(=O)=O ZINC000655527722 1192341205 /nfs/dbraw/zinc/34/12/05/1192341205.db2.gz OKMHZJREEBNQLQ-MRXNPFEDSA-N 0 3 398.529 0.728 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000128739631 1192349752 /nfs/dbraw/zinc/34/97/52/1192349752.db2.gz JPGZLVBKWDVBGW-OAHLLOKOSA-N 0 3 389.529 0.970 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000728881028 1192350819 /nfs/dbraw/zinc/35/08/19/1192350819.db2.gz OCVOPFUEZOEEIO-UHFFFAOYSA-N 0 3 379.461 0.141 20 0 GCADHN C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000663506216 1192366295 /nfs/dbraw/zinc/36/62/95/1192366295.db2.gz JYMPLZDYKWUFKJ-ZDUSSCGKSA-N 0 3 399.517 0.056 20 0 GCADHN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000663517665 1192372219 /nfs/dbraw/zinc/37/22/19/1192372219.db2.gz ZSYYTVSHALJHQP-QYZOEREBSA-N 0 3 376.501 0.685 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)CC1 ZINC000663543524 1192380953 /nfs/dbraw/zinc/38/09/53/1192380953.db2.gz YKBXPGRKFNUGJG-UHFFFAOYSA-N 0 3 390.532 0.818 20 0 GCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)NC[C@@H]1COCCO1 ZINC000057081217 1192387074 /nfs/dbraw/zinc/38/70/74/1192387074.db2.gz DAWPFLRTUAHIIL-LJQANCHMSA-N 0 3 376.501 0.909 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)N2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000663558327 1192388003 /nfs/dbraw/zinc/38/80/03/1192388003.db2.gz OYRWOBHIQCBUKS-GOSISDBHSA-N 0 3 381.565 0.909 20 0 GCADHN C[C@H](CCN1CCN(Cc2ncc[nH]2)CC1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000431604954 1192388123 /nfs/dbraw/zinc/38/81/23/1192388123.db2.gz QUSBLVUSLUQMPT-GOSISDBHSA-N 0 3 386.548 0.847 20 0 GCADHN Cc1nn(C)c(C)c1[C@H]1[C@H](NC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC(=O)N1C ZINC000431947614 1192394060 /nfs/dbraw/zinc/39/40/60/1192394060.db2.gz ALEPJFPICXREOY-PFVOUOSVSA-N 0 3 393.532 0.368 20 0 GCADHN Cc1c([C@H]2[C@H](NC[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)CC(=O)N2C)cnn1C ZINC000431964474 1192395919 /nfs/dbraw/zinc/39/59/19/1192395919.db2.gz NLZPZGMYTKONPF-LMZXCRDUSA-N 0 3 379.505 0.060 20 0 GCADHN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000585723088 1192398665 /nfs/dbraw/zinc/39/86/65/1192398665.db2.gz XMCIPBKYBSACGB-LIRRHRJNSA-N 0 3 399.557 0.978 20 0 GCADHN Cc1csc(CCNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000585725533 1192399119 /nfs/dbraw/zinc/39/91/19/1192399119.db2.gz UDQSOKXUKSCXDP-MRXNPFEDSA-N 0 3 393.557 0.737 20 0 GCADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000007340236 1192413275 /nfs/dbraw/zinc/41/32/75/1192413275.db2.gz WTZZJMVSVSFWPI-UHFFFAOYSA-N 0 3 397.497 0.633 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)N1CCCC1 ZINC001719850445 1192416793 /nfs/dbraw/zinc/41/67/93/1192416793.db2.gz KRDHPEJDQUAHKG-PMPSAXMXSA-N 0 3 379.505 0.382 20 0 GCADHN CNC(=O)CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]c1C)C2 ZINC001719850811 1192419820 /nfs/dbraw/zinc/41/98/20/1192419820.db2.gz VIIYQHJXYXANDP-KBMXLJTQSA-N 0 3 375.473 0.815 20 0 GCADHN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NC[C@@]2(O)CCN(C)C2)s1 ZINC000512080942 1192430404 /nfs/dbraw/zinc/43/04/04/1192430404.db2.gz GEMMMBXSSHASBZ-UVWXRNBGSA-N 0 3 384.506 0.429 20 0 GCADHN Cc1nc(Cn2cc(C(=O)NCCCCN3C[C@@H](C)O[C@@H](C)C3)nn2)no1 ZINC000279007069 1192434121 /nfs/dbraw/zinc/43/41/21/1192434121.db2.gz HFPUVENZLAPCJD-BETUJISGSA-N 0 3 377.449 0.637 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000981463845 1192436127 /nfs/dbraw/zinc/43/61/27/1192436127.db2.gz WBOZJDFXHBCCQK-LXTVHRRPSA-N 0 3 375.473 0.846 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000981463845 1192436129 /nfs/dbraw/zinc/43/61/29/1192436129.db2.gz WBOZJDFXHBCCQK-LXTVHRRPSA-N 0 3 375.473 0.846 20 0 GCADHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001719852353 1192436597 /nfs/dbraw/zinc/43/65/97/1192436597.db2.gz IARRIQBMEOAPOE-ZETQLYEFSA-N 0 3 379.501 0.628 20 0 GCADHN O=C(CCN1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000279026339 1192441538 /nfs/dbraw/zinc/44/15/38/1192441538.db2.gz HHOWLONTTFLZKY-FQEVSTJZSA-N 0 3 399.451 0.816 20 0 GCADHN C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000663647159 1192446596 /nfs/dbraw/zinc/44/65/96/1192446596.db2.gz KUUAKGHTYXBCAJ-BVGQSLNGSA-N 0 3 390.484 0.721 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)N2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000663663938 1192464682 /nfs/dbraw/zinc/46/46/82/1192464682.db2.gz NDBXCRIDGRHNQJ-KRWDZBQOSA-N 0 3 381.521 0.093 20 0 GCADHN CCN1CCN(CCNC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)CC1 ZINC000279110963 1192467840 /nfs/dbraw/zinc/46/78/40/1192467840.db2.gz UWKRZVDYUMMBKF-SFHVURJKSA-N 0 3 381.542 0.959 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000432469557 1192468304 /nfs/dbraw/zinc/46/83/04/1192468304.db2.gz PBHAIFSVSZUUDR-LSDHHAIUSA-N 0 3 388.534 0.305 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000279261835 1192494932 /nfs/dbraw/zinc/49/49/32/1192494932.db2.gz XHAGBSJCZFIGDS-SFHVURJKSA-N 0 3 387.528 0.915 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000467035094 1192497795 /nfs/dbraw/zinc/49/77/95/1192497795.db2.gz GSGGYRHFYDUPGZ-WBMJQRKESA-N 0 3 382.486 0.248 20 0 GCADHN Cc1cn(C)c(CC(=O)N2CCN(C)C[C@H]2C)c1C(=O)N1CCN(C)C[C@@H]1C ZINC000408364407 1192512471 /nfs/dbraw/zinc/51/24/71/1192512471.db2.gz BUCNCJJUYHGKHL-SJORKVTESA-N 0 3 389.544 0.815 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)N(C)C ZINC000408365911 1192513108 /nfs/dbraw/zinc/51/31/08/1192513108.db2.gz LZUAVPRHICOZSU-OAGGEKHMSA-N 0 3 390.550 0.071 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nc3c(cnn3C(C)(C)C)c(N)n2)CC1 ZINC000663722666 1192514436 /nfs/dbraw/zinc/51/44/36/1192514436.db2.gz KBCVNQRFFYVAHS-CQSZACIVSA-N 0 3 386.504 0.906 20 0 GCADHN CC1(O)CCN(c2cc(N3CCC(N4CCC[C@@H]4C(N)=O)CC3)ncn2)CC1 ZINC000663739853 1192518902 /nfs/dbraw/zinc/51/89/02/1192518902.db2.gz PHJKPJMLOJEXHB-MRXNPFEDSA-N 0 3 388.516 0.746 20 0 GCADHN CS(=O)(=O)N1CC(CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000187317477 1192524101 /nfs/dbraw/zinc/52/41/01/1192524101.db2.gz YYXCVSLLPUDQJU-UHFFFAOYSA-N 0 3 380.514 0.206 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC1 ZINC000728905176 1192533819 /nfs/dbraw/zinc/53/38/19/1192533819.db2.gz CCXXBUIGGFLHFJ-UHFFFAOYSA-N 0 3 391.516 0.541 20 0 GCADHN C[C@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C2CC2)O1 ZINC000279391124 1192535666 /nfs/dbraw/zinc/53/56/66/1192535666.db2.gz UHFPWEJCSRVXED-KSSFIOAISA-N 0 3 395.525 0.882 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@]3(O)CCO[C@@H]3C)c2)CC1 ZINC000279420861 1192538942 /nfs/dbraw/zinc/53/89/42/1192538942.db2.gz JGJDNSRPDWFUKZ-QRWLVFNGSA-N 0 3 390.484 0.423 20 0 GCADHN CCCC(=O)N1CCC[C@@H](C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000432534620 1192539531 /nfs/dbraw/zinc/53/95/31/1192539531.db2.gz GEABDDJWQQCFLY-GOSISDBHSA-N 0 3 382.549 0.531 20 0 GCADHN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000432548918 1192551416 /nfs/dbraw/zinc/55/14/16/1192551416.db2.gz ZZPLHQSXGHLDIB-GOSISDBHSA-N 0 3 396.576 0.777 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000563181620 1192551517 /nfs/dbraw/zinc/55/15/17/1192551517.db2.gz FKLNFOIFKJXCCV-UHFFFAOYSA-N 0 3 399.513 0.358 20 0 GCADHN CN(CCN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C[C@@H](O)CN1C(=O)CCC1=O ZINC001268237024 1192568856 /nfs/dbraw/zinc/56/88/56/1192568856.db2.gz JLFXVASXCWMFTF-YYIAUSFCSA-N 0 3 377.485 0.489 20 0 GCADHN COCCOCC(=O)NC1CCC(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000467037555 1192569654 /nfs/dbraw/zinc/56/96/54/1192569654.db2.gz YDAODJJLXRDNCY-YHOLWWCESA-N 0 3 381.517 0.923 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@H](O)C(C)(C)C3)cc2)CC1 ZINC000279684478 1192577336 /nfs/dbraw/zinc/57/73/36/1192577336.db2.gz LCHLYERGTLPAOR-SFHVURJKSA-N 0 3 388.512 0.992 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000637471107 1192579051 /nfs/dbraw/zinc/57/90/51/1192579051.db2.gz QRAUWJUTCYSZMO-INIZCTEOSA-N 0 3 387.550 0.573 20 0 GCADHN CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC000982142750 1192582907 /nfs/dbraw/zinc/58/29/07/1192582907.db2.gz DIQVHFTXFCUKLE-LIRZEXBASA-N 0 3 386.496 0.884 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000982143599 1192583151 /nfs/dbraw/zinc/58/31/51/1192583151.db2.gz VQZQGBJUVSRCJI-NZPGVSJUSA-N 0 3 386.496 0.884 20 0 GCADHN C[C@H](O)C[C@@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000279759714 1192598919 /nfs/dbraw/zinc/59/89/19/1192598919.db2.gz MDLPJWVNXZRYJA-HOCLYGCPSA-N 0 3 383.514 0.618 20 0 GCADHN CCNS(=O)(=O)c1ccc(CC(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000544734936 1192600097 /nfs/dbraw/zinc/60/00/97/1192600097.db2.gz NFPNJXUZZPIPAI-UHFFFAOYSA-N 0 3 396.557 0.671 20 0 GCADHN CCN1CCN([C@H]2CCN(C(=O)c3ccnc(N4CCN(C)CC4)c3)C2)CC1 ZINC000112294647 1192601262 /nfs/dbraw/zinc/60/12/62/1192601262.db2.gz JQDMGMAATFCECA-IBGZPJMESA-N 0 3 386.544 0.685 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000670838668 1192601267 /nfs/dbraw/zinc/60/12/67/1192601267.db2.gz BNRMTKNINLWPQG-OAHLLOKOSA-N 0 3 396.513 0.072 20 0 GCADHN CNC(=O)C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccccc1 ZINC000888939427 1192603703 /nfs/dbraw/zinc/60/37/03/1192603703.db2.gz OETMQOQIMRLSDK-HOCLYGCPSA-N 0 3 375.473 0.625 20 0 GCADHN COc1ncc(NC(=O)C(=O)N(CCN(C)C)C2CCCC2)cc1C(N)=O ZINC000429810234 1192609272 /nfs/dbraw/zinc/60/92/72/1192609272.db2.gz QJFATJXLPXPJBT-UHFFFAOYSA-N 0 3 377.445 0.460 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cccc(N3CCC3=O)c2)CCSC1 ZINC000279827132 1192609388 /nfs/dbraw/zinc/60/93/88/1192609388.db2.gz AXGOHONBUMCYPX-SFHVURJKSA-N 0 3 376.482 0.915 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000509739230 1192610109 /nfs/dbraw/zinc/61/01/09/1192610109.db2.gz SNNCSGHXGPPIET-MRXNPFEDSA-N 0 3 379.505 0.286 20 0 GCADHN CN(C)[C@@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000279836028 1192610189 /nfs/dbraw/zinc/61/01/89/1192610189.db2.gz ZMPQSZZKZVQHPE-YTQUADARSA-N 0 3 385.468 0.738 20 0 GCADHN CCC(=O)N[C@H]1CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000500456296 1192617449 /nfs/dbraw/zinc/61/74/49/1192617449.db2.gz KWSMSFSPEZPIMZ-AWEZNQCLSA-N 0 3 382.486 0.653 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000663806916 1192623476 /nfs/dbraw/zinc/62/34/76/1192623476.db2.gz RGRZKRJGCOQIJK-KRWDZBQOSA-N 0 3 391.516 0.867 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000500489483 1192628490 /nfs/dbraw/zinc/62/84/90/1192628490.db2.gz LLJZSCWMHQRFQH-KBPBESRZSA-N 0 3 376.423 0.778 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000663811015 1192630907 /nfs/dbraw/zinc/63/09/07/1192630907.db2.gz RTNOITNDLLWPMJ-IRXDYDNUSA-N 0 3 398.529 0.532 20 0 GCADHN Cn1nc(C(F)(F)F)cc1CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268319825 1192633222 /nfs/dbraw/zinc/63/32/22/1192633222.db2.gz ARFUBFIEMSUEKI-LOWDOPEQSA-N 0 3 376.379 0.573 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)CN1CCN(C)CC1 ZINC000606996930 1192635748 /nfs/dbraw/zinc/63/57/48/1192635748.db2.gz FHQCMTWFFJXOFG-CQSZACIVSA-N 0 3 376.505 0.712 20 0 GCADHN O=C(CNC(=O)c1cnc2ccccc2c1O)N[C@@H](CO)CN1CCCCC1 ZINC000512384259 1192639049 /nfs/dbraw/zinc/63/90/49/1192639049.db2.gz MTQOYRASUHFTEU-CQSZACIVSA-N 0 3 386.452 0.221 20 0 GCADHN O=C(NCCOc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000418754114 1192639795 /nfs/dbraw/zinc/63/97/95/1192639795.db2.gz BEVNOOXSGLIWTA-ZDUSSCGKSA-N 0 3 375.347 0.305 20 0 GCADHN CCOC(=O)c1ccn(-c2cccc(CNC(=O)NC[C@@H]3CNCCO3)c2)n1 ZINC000418770459 1192642023 /nfs/dbraw/zinc/64/20/23/1192642023.db2.gz QQNJPPAGBDOQNU-INIZCTEOSA-N 0 3 387.440 0.837 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000418783567 1192644743 /nfs/dbraw/zinc/64/47/43/1192644743.db2.gz OQVAIEMBPKMPGV-QGZVFWFLSA-N 0 3 384.436 0.357 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000418797091 1192647074 /nfs/dbraw/zinc/64/70/74/1192647074.db2.gz UBVFTTALERIFMC-KGLIPLIRSA-N 0 3 380.876 0.530 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)[C@H](C)CN1 ZINC000418802888 1192649009 /nfs/dbraw/zinc/64/90/09/1192649009.db2.gz KQSAOANAQKNHFW-IAGOWNOFSA-N 0 3 380.533 0.594 20 0 GCADHN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000418812615 1192653036 /nfs/dbraw/zinc/65/30/36/1192653036.db2.gz XGFPEFAQGGTKAO-HZPDHXFCSA-N 0 3 378.448 0.324 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000418827319 1192657670 /nfs/dbraw/zinc/65/76/70/1192657670.db2.gz DNPWHBJJYKSCKE-ZNMIVQPWSA-N 0 3 378.473 0.762 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@@H](N)c1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000418831839 1192659415 /nfs/dbraw/zinc/65/94/15/1192659415.db2.gz PISJBQVWAHJCEM-RDTXWAMCSA-N 0 3 380.448 0.850 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H](N)c1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000418831830 1192659567 /nfs/dbraw/zinc/65/95/67/1192659567.db2.gz PISJBQVWAHJCEM-KBXCAEBGSA-N 0 3 380.448 0.850 20 0 GCADHN O=C(NCc1cccc(COc2ccccc2)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000418852622 1192666258 /nfs/dbraw/zinc/66/62/58/1192666258.db2.gz VPPAPXZBXPXHHA-IBGZPJMESA-N 0 3 383.448 0.986 20 0 GCADHN CC(C)C[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)ccn1 ZINC000418856285 1192667736 /nfs/dbraw/zinc/66/77/36/1192667736.db2.gz OUJMIHUUHDZLKO-ZBFHGGJFSA-N 0 3 378.473 0.616 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)[C@H](C)CN1 ZINC000418865341 1192672098 /nfs/dbraw/zinc/67/20/98/1192672098.db2.gz RLOVGWJJMVARRG-QZTJIDSGSA-N 0 3 387.528 0.129 20 0 GCADHN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(=O)N1CCCNCC1 ZINC000418880098 1192675673 /nfs/dbraw/zinc/67/56/73/1192675673.db2.gz OQDFVYGSCOULQU-INIZCTEOSA-N 0 3 394.422 0.394 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000418901681 1192684193 /nfs/dbraw/zinc/68/41/93/1192684193.db2.gz QRGAHNUTUACBGX-OBJOEFQTSA-N 0 3 377.441 0.864 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000418933067 1192694758 /nfs/dbraw/zinc/69/47/58/1192694758.db2.gz IPRPSXVZDBEBDB-YOEHRIQHSA-N 0 3 385.468 0.777 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000512441797 1192700248 /nfs/dbraw/zinc/70/02/48/1192700248.db2.gz KHWFPMRSOPUQDN-OAHLLOKOSA-N 0 3 383.518 0.436 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(C)CC[C@@H]2C)[C@H](C)O)cc1 ZINC000500681475 1192702491 /nfs/dbraw/zinc/70/24/91/1192702491.db2.gz OGBXNVPRFDRZKZ-ZOBUZTSGSA-N 0 3 383.514 0.575 20 0 GCADHN COC1(C(F)(F)F)CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000418980957 1192709185 /nfs/dbraw/zinc/70/91/85/1192709185.db2.gz FZLOQLVPUOHFEP-UHFFFAOYSA-N 0 3 378.399 0.488 20 0 GCADHN CCOc1cc2c(cc1CNC(=O)C(=O)NC[C@@H]1CNCCO1)O[C@@H](C)C2 ZINC000418999699 1192713081 /nfs/dbraw/zinc/71/30/81/1192713081.db2.gz QVQWLHQFGMSMJT-WFASDCNBSA-N 0 3 377.441 0.130 20 0 GCADHN CCOc1cc2c(cc1CNC(=O)C(=O)NC[C@H]1CNCCO1)O[C@H](C)C2 ZINC000418999696 1192713456 /nfs/dbraw/zinc/71/34/56/1192713456.db2.gz QVQWLHQFGMSMJT-IUODEOHRSA-N 0 3 377.441 0.130 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000419012669 1192719200 /nfs/dbraw/zinc/71/92/00/1192719200.db2.gz FXQDIJLYOIANDZ-VBQJREDUSA-N 0 3 392.475 0.997 20 0 GCADHN COc1ccc(OCCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419020289 1192722017 /nfs/dbraw/zinc/72/20/17/1192722017.db2.gz WTJUAJCMYJQSDR-XJKSGUPXSA-N 0 3 379.457 0.810 20 0 GCADHN CCOC(=O)c1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419018656 1192722223 /nfs/dbraw/zinc/72/22/23/1192722223.db2.gz HWCOXQHKXSRFDV-DOMZBBRYSA-N 0 3 377.441 0.709 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000419019825 1192722660 /nfs/dbraw/zinc/72/26/60/1192722660.db2.gz DYHOOQLSTVXKIR-IUODEOHRSA-N 0 3 389.431 0.857 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000500742154 1192734996 /nfs/dbraw/zinc/73/49/96/1192734996.db2.gz SRYQXJKPPVQYET-UHFFFAOYSA-N 0 3 396.451 0.231 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000500746373 1192737323 /nfs/dbraw/zinc/73/73/23/1192737323.db2.gz HNZLPAPWWGQYDK-HOTGVXAUSA-N 0 3 382.505 0.073 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)NCCCN1CCCCCC1=O ZINC000614068544 1192745385 /nfs/dbraw/zinc/74/53/85/1192745385.db2.gz NXTGBIZDUFKBLM-UHFFFAOYSA-N 0 3 383.522 0.236 20 0 GCADHN C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000410609351 1192751075 /nfs/dbraw/zinc/75/10/75/1192751075.db2.gz QMFUNLOONXJTCH-ZMMAXQRCSA-N 0 3 395.544 0.954 20 0 GCADHN C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000410609349 1192751277 /nfs/dbraw/zinc/75/12/77/1192751277.db2.gz QMFUNLOONXJTCH-VXNCWWDNSA-N 0 3 395.544 0.954 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CC[C@H](CCO)C3)CC2)C[C@@H](C)O1 ZINC000410607310 1192753241 /nfs/dbraw/zinc/75/32/41/1192753241.db2.gz KPDACDGAYMFWQH-ZHALLVOQSA-N 0 3 395.544 0.955 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(N(C)C)c(F)c2)CC1=O ZINC000644894022 1192761954 /nfs/dbraw/zinc/76/19/54/1192761954.db2.gz CGSUMDGTNNALDK-HNNXBMFYSA-N 0 3 380.464 0.801 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@H](C)n2nc(C)cc2C)CC1=O ZINC000644894189 1192763208 /nfs/dbraw/zinc/76/32/08/1192763208.db2.gz MHPSBVYBVIVCHS-DLBZAZTESA-N 0 3 379.505 0.746 20 0 GCADHN N[C@@H](CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccccc1 ZINC000237892653 1192769614 /nfs/dbraw/zinc/76/96/14/1192769614.db2.gz OGXPLSNKPXOLOS-SFHVURJKSA-N 0 3 380.448 0.965 20 0 GCADHN NC1(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)CC1 ZINC000237941268 1192772968 /nfs/dbraw/zinc/77/29/68/1192772968.db2.gz RPJWNAATMQVAQT-UHFFFAOYSA-N 0 3 387.509 0.999 20 0 GCADHN NC(=O)[C@@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCO1 ZINC000051645571 1192773482 /nfs/dbraw/zinc/77/34/82/1192773482.db2.gz YJMZLTBATXBBPJ-INIZCTEOSA-N 0 3 378.498 0.996 20 0 GCADHN Cc1ccc(C[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)c2ccccn2)cc1 ZINC000419079555 1192775685 /nfs/dbraw/zinc/77/56/85/1192775685.db2.gz NENXGVUFXZGJKZ-PKOBYXMFSA-N 0 3 382.464 0.895 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)CC1=O ZINC000644895014 1192775742 /nfs/dbraw/zinc/77/57/42/1192775742.db2.gz SZCXAAPDJALHLC-MRXNPFEDSA-N 0 3 388.468 0.019 20 0 GCADHN O=C(NCCCN1CCN(c2ncccn2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000238041733 1192778129 /nfs/dbraw/zinc/77/81/29/1192778129.db2.gz BPHNGRWTAKRIGC-LJQANCHMSA-N 0 3 380.496 0.819 20 0 GCADHN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N1CCNCC1 ZINC000419098834 1192784992 /nfs/dbraw/zinc/78/49/92/1192784992.db2.gz OURSPRLMSMZYFQ-HNNXBMFYSA-N 0 3 384.402 0.828 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000509723835 1192782838 /nfs/dbraw/zinc/78/28/38/1192782838.db2.gz HBDJWPDRSWHFPI-OAQYLSRUSA-N 0 3 391.512 0.624 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000419086996 1192783570 /nfs/dbraw/zinc/78/35/70/1192783570.db2.gz PBCVYGUYVLFCOL-TUVASFSCSA-N 0 3 384.521 0.220 20 0 GCADHN C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419093531 1192787340 /nfs/dbraw/zinc/78/73/40/1192787340.db2.gz YGJUDOIAUDUDQX-WBMJQRKESA-N 0 3 377.466 0.505 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)OC(C)C ZINC000419103446 1192790998 /nfs/dbraw/zinc/79/09/98/1192790998.db2.gz GAHIXYRMWDZSTB-YOEHRIQHSA-N 0 3 379.457 0.382 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)c1ccc(F)cc1 ZINC000419104094 1192791921 /nfs/dbraw/zinc/79/19/21/1192791921.db2.gz MHKBANIUIYGBOO-CXAGYDPISA-N 0 3 388.447 0.959 20 0 GCADHN COc1ccc(OC)c(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419106391 1192792927 /nfs/dbraw/zinc/79/29/27/1192792927.db2.gz OLVXXTQQMAZEAJ-IUODEOHRSA-N 0 3 379.457 0.592 20 0 GCADHN COc1ccc(OC)c(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419106393 1192793158 /nfs/dbraw/zinc/79/31/58/1192793158.db2.gz OLVXXTQQMAZEAJ-WFASDCNBSA-N 0 3 379.457 0.592 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCOC(C)(C)[C@H]2C)CC1 ZINC000410661629 1192794335 /nfs/dbraw/zinc/79/43/35/1192794335.db2.gz JNMCRBZZTBQONU-OAHLLOKOSA-N 0 3 382.505 0.025 20 0 GCADHN C[C@@H]1CCC[C@H](C)CN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000410662709 1192794671 /nfs/dbraw/zinc/79/46/71/1192794671.db2.gz CZXPCYFQBBDZJG-DLBZAZTESA-N 0 3 378.517 0.790 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3OC)CC2)CCO1 ZINC000410665098 1192797222 /nfs/dbraw/zinc/79/72/22/1192797222.db2.gz UUXGQXDBKNDPNX-HNNXBMFYSA-N 0 3 376.457 0.766 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000419114159 1192800136 /nfs/dbraw/zinc/80/01/36/1192800136.db2.gz MGRHRMWJTIHWRF-INMHGKMJSA-N 0 3 395.525 0.941 20 0 GCADHN CN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000410669034 1192804127 /nfs/dbraw/zinc/80/41/27/1192804127.db2.gz ASVSUNYULJUUEY-CGTJXYLNSA-N 0 3 384.480 0.803 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC1CCN(c2nccs2)CC1 ZINC000419131271 1192805648 /nfs/dbraw/zinc/80/56/48/1192805648.db2.gz CGNHFRBYEQMYNC-YPMHNXCESA-N 0 3 381.502 0.457 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCCNCC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000419151943 1192811031 /nfs/dbraw/zinc/81/10/31/1192811031.db2.gz MWYGXVDBJWGJBQ-MSOLQXFVSA-N 0 3 384.484 0.893 20 0 GCADHN COc1ccc(C[C@H](C)CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1OC ZINC000419158942 1192818463 /nfs/dbraw/zinc/81/84/63/1192818463.db2.gz WUVNKBFRJBXEJO-DZGCQCFKSA-N 0 3 379.457 0.103 20 0 GCADHN CCC[C@@H]1CNCCN1C(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000419162139 1192820422 /nfs/dbraw/zinc/82/04/22/1192820422.db2.gz TUVYBBNSFLHWGG-QGZVFWFLSA-N 0 3 388.516 0.050 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1Cl ZINC000419164990 1192822652 /nfs/dbraw/zinc/82/26/52/1192822652.db2.gz NNQCEMMRXVBAFV-BXUZGUMPSA-N 0 3 396.875 0.415 20 0 GCADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000893722524 1192822708 /nfs/dbraw/zinc/82/27/08/1192822708.db2.gz HGRSEGJWGNPVBO-SOUVJXGZSA-N 0 3 388.534 0.369 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(OCC2CC2)nc1 ZINC000419168465 1192823173 /nfs/dbraw/zinc/82/31/73/1192823173.db2.gz KNRGEQXKSQVMKI-DOMZBBRYSA-N 0 3 376.457 0.716 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000419167080 1192823634 /nfs/dbraw/zinc/82/36/34/1192823634.db2.gz CHQLESYVWBTFCP-TUKIKUTGSA-N 0 3 398.454 0.913 20 0 GCADHN CSCC[C@@H](C)N(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410695593 1192831300 /nfs/dbraw/zinc/83/13/00/1192831300.db2.gz UDUSAGXJYCSQTM-HUUCEWRRSA-N 0 3 384.546 0.351 20 0 GCADHN O=C(NCc1cccc(OCC(F)(F)F)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419196022 1192832582 /nfs/dbraw/zinc/83/25/82/1192832582.db2.gz AGYSWTUVOFPCMA-ZDUSSCGKSA-N 0 3 375.347 0.349 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1 ZINC000419179229 1192832690 /nfs/dbraw/zinc/83/26/90/1192832690.db2.gz VMKJDOQBKHURAK-AEFFLSMTSA-N 0 3 380.448 0.835 20 0 GCADHN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000410700553 1192844121 /nfs/dbraw/zinc/84/41/21/1192844121.db2.gz SWWRYMABJBJFSE-QRVBRYPASA-N 0 3 392.544 0.642 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000245862598 1192844981 /nfs/dbraw/zinc/84/49/81/1192844981.db2.gz RPGOCIBEXHKVLZ-QWFCFKBJSA-N 0 3 394.560 0.887 20 0 GCADHN COC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1OC ZINC000512536595 1192845567 /nfs/dbraw/zinc/84/55/67/1192845567.db2.gz UBJKFFGKLDAFFL-AWEZNQCLSA-N 0 3 377.441 0.508 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3nnc4n3CCC4)c2)CC1 ZINC000473270422 1192851134 /nfs/dbraw/zinc/85/11/34/1192851134.db2.gz DXWPZTVPWJKJKD-UHFFFAOYSA-N 0 3 397.483 0.621 20 0 GCADHN CCN1C[C@@H](C)N(C(=O)C(=O)N2CCC(CCN3CCOCC3)CC2)C[C@@H]1C ZINC000410716111 1192847085 /nfs/dbraw/zinc/84/70/85/1192847085.db2.gz WEMKGKSXVBSEME-ZWKOTPCHSA-N 0 3 394.560 0.888 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000419205571 1192852169 /nfs/dbraw/zinc/85/21/69/1192852169.db2.gz JGUMATPUNZCJSF-JQHSSLGASA-N 0 3 388.512 0.996 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000663850579 1192856401 /nfs/dbraw/zinc/85/64/01/1192856401.db2.gz ZWLNGNZVJOQQJH-INIZCTEOSA-N 0 3 383.518 0.389 20 0 GCADHN CCN1CCN(c2cc(C(N)=O)nc(N3CCN(CC)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000893825232 1192864282 /nfs/dbraw/zinc/86/42/82/1192864282.db2.gz CUTLZNVEKVCWEQ-GJZGRUSLSA-N 0 3 375.521 0.636 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000110062510 1192865642 /nfs/dbraw/zinc/86/56/42/1192865642.db2.gz DODPKZOKGNCQDG-UHFFFAOYSA-N 0 3 391.534 0.390 20 0 GCADHN CN1CCN(CCNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC000549739940 1192866535 /nfs/dbraw/zinc/86/65/35/1192866535.db2.gz JYZJXEROESGCKZ-SFHVURJKSA-N 0 3 390.532 0.381 20 0 GCADHN CN1CCN(CCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000549739940 1192866541 /nfs/dbraw/zinc/86/65/41/1192866541.db2.gz JYZJXEROESGCKZ-SFHVURJKSA-N 0 3 390.532 0.381 20 0 GCADHN CCN1CCN(CCCNC(=O)Cc2csc(N3CCOCC3)n2)CC1 ZINC000549750943 1192869821 /nfs/dbraw/zinc/86/98/21/1192869821.db2.gz NLRDDTNVNYHONA-UHFFFAOYSA-N 0 3 381.546 0.666 20 0 GCADHN C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000893877024 1192870148 /nfs/dbraw/zinc/87/01/48/1192870148.db2.gz DNMVRPMRAHEUGB-IWCQGFGOSA-N 0 3 380.514 0.998 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1noc(-c2cccs2)n1 ZINC000663852981 1192872671 /nfs/dbraw/zinc/87/26/71/1192872671.db2.gz ZKXIGWYMPXNNGL-UHFFFAOYSA-N 0 3 380.474 0.960 20 0 GCADHN CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)N1CCOCC1 ZINC000549787201 1192883259 /nfs/dbraw/zinc/88/32/59/1192883259.db2.gz QHLSHDDPVXXXEW-QYZOEREBSA-N 0 3 394.560 0.935 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000549798676 1192884684 /nfs/dbraw/zinc/88/46/84/1192884684.db2.gz SRAYGOYMFQLDSB-QGZVFWFLSA-N 0 3 378.517 0.838 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)CCSC1 ZINC000549799667 1192885792 /nfs/dbraw/zinc/88/57/92/1192885792.db2.gz MAMXWGTYWSQPRR-GOSISDBHSA-N 0 3 382.530 0.011 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)c2)CC1 ZINC000473407864 1192890905 /nfs/dbraw/zinc/89/09/05/1192890905.db2.gz JWIGQYVOQVCEBJ-SNRMKQJTSA-N 0 3 386.496 0.996 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCN(C(C)=O)C3)c2)CC1 ZINC000473413161 1192893390 /nfs/dbraw/zinc/89/33/90/1192893390.db2.gz XCUSSZCWOPTEHS-QGZVFWFLSA-N 0 3 387.484 0.504 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCc3ncn(C)n3)c2)CC1 ZINC000473430322 1192895224 /nfs/dbraw/zinc/89/52/24/1192895224.db2.gz QAEYTXDIGQOWTQ-UHFFFAOYSA-N 0 3 385.472 0.254 20 0 GCADHN CCC[C@@H]1CNCCN1C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000419211320 1192896074 /nfs/dbraw/zinc/89/60/74/1192896074.db2.gz XBAYYNUMQDCKOF-QGZVFWFLSA-N 0 3 388.516 0.050 20 0 GCADHN COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000408430921 1192897791 /nfs/dbraw/zinc/89/77/91/1192897791.db2.gz ABGDZZFPSRNZEC-OAHLLOKOSA-N 0 3 381.498 0.931 20 0 GCADHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000332779821 1192903811 /nfs/dbraw/zinc/90/38/11/1192903811.db2.gz DQVVVVCHEQLCEC-DLBZAZTESA-N 0 3 393.532 0.726 20 0 GCADHN Cc1c(NC(=O)C(=O)N[C@@H](C)CN(C)C)cccc1S(=O)(=O)NC1CC1 ZINC000509770102 1192907491 /nfs/dbraw/zinc/90/74/91/1192907491.db2.gz ICWSGVWEWOXHOC-NSHDSACASA-N 0 3 382.486 0.441 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000549865113 1192908172 /nfs/dbraw/zinc/90/81/72/1192908172.db2.gz SCFAFROKUIUSEV-IBGZPJMESA-N 0 3 388.512 0.736 20 0 GCADHN CC[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(=O)N(C)CC(F)(F)F ZINC001481835348 1192914590 /nfs/dbraw/zinc/91/45/90/1192914590.db2.gz YWWHRCBISZOAHC-JWOJSXKRSA-N 0 3 377.407 0.915 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@]3(O)CCSC3)c2)CC1 ZINC000274496396 1184077438 /nfs/dbraw/zinc/07/74/38/1184077438.db2.gz IJAJEMLLGSOEAA-LJQANCHMSA-N 0 3 392.525 0.751 20 0 GCADHN COC(=O)c1ccsc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000274505713 1184079449 /nfs/dbraw/zinc/07/94/49/1184079449.db2.gz KJUGIYINLHMRMD-LBPRGKRZSA-N 0 3 382.486 0.615 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(OC)c(OCCOC)c1 ZINC000274519071 1184085127 /nfs/dbraw/zinc/08/51/27/1184085127.db2.gz YAEVMLKQAMBSRQ-UHFFFAOYSA-N 0 3 383.445 0.089 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000274548371 1184093845 /nfs/dbraw/zinc/09/38/45/1184093845.db2.gz HYJDAGCOJWACRF-QRQLOZEOSA-N 0 3 378.517 0.796 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000274605879 1184118164 /nfs/dbraw/zinc/11/81/64/1184118164.db2.gz MJSPBMJIZGKUKQ-VLIAUNLRSA-N 0 3 387.484 0.497 20 0 GCADHN CCN(CCO)CCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000274610464 1184119282 /nfs/dbraw/zinc/11/92/82/1184119282.db2.gz ZCGCUKGPUHJKAI-UHFFFAOYSA-N 0 3 383.514 0.952 20 0 GCADHN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579735369 1184120691 /nfs/dbraw/zinc/12/06/91/1184120691.db2.gz ZCAHGIRISSBCOL-PNBKFKSVSA-N 0 3 375.473 0.702 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000274625981 1184125077 /nfs/dbraw/zinc/12/50/77/1184125077.db2.gz RDXXEAUKHUVNFU-UHFFFAOYSA-N 0 3 398.529 0.723 20 0 GCADHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H](C)C1 ZINC000579747359 1184125337 /nfs/dbraw/zinc/12/53/37/1184125337.db2.gz KOPXUUUHKXCQCC-XEZPLFJOSA-N 0 3 385.468 0.435 20 0 GCADHN COc1ccccc1C(=O)NCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000274638002 1184133316 /nfs/dbraw/zinc/13/33/16/1184133316.db2.gz JVBFMOVPUNSYAJ-INIZCTEOSA-N 0 3 388.468 0.190 20 0 GCADHN CCC1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCCC1 ZINC000579763878 1184143880 /nfs/dbraw/zinc/14/38/80/1184143880.db2.gz RXFLDVNESDREHR-MRXNPFEDSA-N 0 3 378.517 0.838 20 0 GCADHN NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000648062436 1184207484 /nfs/dbraw/zinc/20/74/84/1184207484.db2.gz RZOGEKIEWZTHNJ-UHFFFAOYSA-N 0 3 384.411 0.866 20 0 GCADHN CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000654947041 1184219422 /nfs/dbraw/zinc/21/94/22/1184219422.db2.gz QMKCQYQHBYURDR-ZIAGYGMSSA-N 0 3 380.470 0.557 20 0 GCADHN COc1ncc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1C(N)=O ZINC000654948063 1184220450 /nfs/dbraw/zinc/22/04/50/1184220450.db2.gz XUFVQPZAYLDYDG-KGLIPLIRSA-N 0 3 375.429 0.261 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000510074715 1184229949 /nfs/dbraw/zinc/22/99/49/1184229949.db2.gz WDVHWCMAZCDOQZ-UHFFFAOYSA-N 0 3 389.485 0.858 20 0 GCADHN COC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(OC)c(O)c1 ZINC000274733692 1184233010 /nfs/dbraw/zinc/23/30/10/1184233010.db2.gz URDDZMAEASHDOL-DYVFJYSZSA-N 0 3 393.440 0.141 20 0 GCADHN CS(=O)(=O)NC1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCCCC1 ZINC000654989626 1184236675 /nfs/dbraw/zinc/23/66/75/1184236675.db2.gz NVFJPTOIZKHDAQ-HNNXBMFYSA-N 0 3 390.550 0.385 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000655005330 1184243552 /nfs/dbraw/zinc/24/35/52/1184243552.db2.gz QKBVKFCQDIEWRE-UHFFFAOYSA-N 0 3 388.578 0.580 20 0 GCADHN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NC[C@@]1(O)CN3CCC1CC3)C2=O ZINC000655073445 1184277154 /nfs/dbraw/zinc/27/71/54/1184277154.db2.gz BQXKGSWTUWHFGF-RYMBOPBQSA-N 0 3 392.500 0.306 20 0 GCADHN CCOc1ccccc1C(=O)N[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C(C)C ZINC000655093726 1184282433 /nfs/dbraw/zinc/28/24/33/1184282433.db2.gz LZIWBEFZTBSQBB-BQFCYCMXSA-N 0 3 377.485 0.973 20 0 GCADHN COc1cccc(-n2c(C)nnc2SCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000655093603 1184282569 /nfs/dbraw/zinc/28/25/69/1184282569.db2.gz ZFVOEKFWANVCEA-HOTGVXAUSA-N 0 3 391.497 0.810 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)C[C@@H]1O ZINC000655095687 1184283228 /nfs/dbraw/zinc/28/32/28/1184283228.db2.gz FUZUVBMWGZQFGB-STQMWFEESA-N 0 3 395.403 0.824 20 0 GCADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000655105260 1184287870 /nfs/dbraw/zinc/28/78/70/1184287870.db2.gz VCCNEQZHFSUVQJ-CSFVBSKPSA-N 0 3 397.472 0.112 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000274771580 1184295067 /nfs/dbraw/zinc/29/50/67/1184295067.db2.gz DAMRYLUHFXJJBX-GFCCVEGCSA-N 0 3 387.481 0.621 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2C(C)C)C[C@@H]1O ZINC000969418371 1184303490 /nfs/dbraw/zinc/30/34/90/1184303490.db2.gz HXHZLALCASXNPC-DNMXQMFDSA-N 0 3 378.473 0.400 20 0 GCADHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C[C@H]3CNCCO3)C2)cc1 ZINC000430226342 1184304069 /nfs/dbraw/zinc/30/40/69/1184304069.db2.gz MFYWIMMGVUYTCS-IRXDYDNUSA-N 0 3 395.525 0.890 20 0 GCADHN O=C([C@@H]1CCCN1Cc1ccccc1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000579831928 1184306299 /nfs/dbraw/zinc/30/62/99/1184306299.db2.gz SIHLZYODLYRXTO-SFHVURJKSA-N 0 3 392.525 0.097 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](c3cccnc3)C2)CC1 ZINC000579835336 1184307118 /nfs/dbraw/zinc/30/71/18/1184307118.db2.gz UGWFOPAEUVWLQX-MJGOQNOKSA-N 0 3 387.528 0.787 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@](C)(C(=O)OC(C)(C)C)C2)n1 ZINC000413364000 1184309719 /nfs/dbraw/zinc/30/97/19/1184309719.db2.gz UVYQUJHAJHQJOF-SFHVURJKSA-N 0 3 380.493 0.498 20 0 GCADHN CCN1CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 ZINC000655147931 1184309783 /nfs/dbraw/zinc/30/97/83/1184309783.db2.gz GJNCQLWRVLGERP-DZKIICNBSA-N 0 3 385.461 0.160 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)n1 ZINC000413363996 1184309989 /nfs/dbraw/zinc/30/99/89/1184309989.db2.gz UVYQUJHAJHQJOF-GOSISDBHSA-N 0 3 380.493 0.498 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)CNC(=O)c2ccccc2OC)CC1 ZINC000274795284 1184317137 /nfs/dbraw/zinc/31/71/37/1184317137.db2.gz IZMCCRQQSQVIMZ-UHFFFAOYSA-N 0 3 391.468 0.816 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)nc1 ZINC000655257665 1184340196 /nfs/dbraw/zinc/34/01/96/1184340196.db2.gz PYHKBGATUJBJGY-OAHLLOKOSA-N 0 3 375.473 0.565 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000655273259 1184344892 /nfs/dbraw/zinc/34/48/92/1184344892.db2.gz LJYZIBBQPMOJQO-GJZGRUSLSA-N 0 3 385.530 0.355 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OCC ZINC000579860273 1184379811 /nfs/dbraw/zinc/37/98/11/1184379811.db2.gz BHUFUKSJTPPZPF-TZMCWYRMSA-N 0 3 383.470 0.417 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)CCN2C1=O ZINC000579860641 1184382202 /nfs/dbraw/zinc/38/22/02/1184382202.db2.gz NXXXJPYUWQPPOH-VXGBXAGGSA-N 0 3 386.433 0.923 20 0 GCADHN CNC(=O)[C@]1(C)CCN(CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000430255410 1184383390 /nfs/dbraw/zinc/38/33/90/1184383390.db2.gz WFNXVDJGPUGEQH-OAQYLSRUSA-N 0 3 388.512 0.593 20 0 GCADHN C[C@H]1CN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCN1CCO ZINC000187701401 1184392339 /nfs/dbraw/zinc/39/23/39/1184392339.db2.gz MNZZIPUGVFAEKH-KRWDZBQOSA-N 0 3 378.492 0.863 20 0 GCADHN O=C(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001772506124 1184392393 /nfs/dbraw/zinc/39/23/93/1184392393.db2.gz FYIMZFNRHIXSAL-HXUWFJFHSA-N 0 3 386.452 0.031 20 0 GCADHN Cc1ccc(-n2nccc2NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)nn1 ZINC000274835767 1184398528 /nfs/dbraw/zinc/39/85/28/1184398528.db2.gz AMRRRGGHOOFLRS-KRWDZBQOSA-N 0 3 389.485 0.463 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)CCc2c(C)nn(C)c2C)CC1=O ZINC000579864852 1184401990 /nfs/dbraw/zinc/40/19/90/1184401990.db2.gz XVQZURCRTPOEQQ-INIZCTEOSA-N 0 3 379.505 0.265 20 0 GCADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCc2n[nH]c(=O)cc2C1 ZINC000274867697 1184409420 /nfs/dbraw/zinc/40/94/20/1184409420.db2.gz JUMVGYWZPDFHFI-CRAIPNDOSA-N 0 3 381.480 0.907 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)[C@@](C)(O)Cn3ccccc3=O)C2)CC1 ZINC000547733623 1184440543 /nfs/dbraw/zinc/44/05/43/1184440543.db2.gz WQGLBLWXMMWLRB-PXNSSMCTSA-N 0 3 376.501 0.226 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000547748373 1184471119 /nfs/dbraw/zinc/47/11/19/1184471119.db2.gz RSGHRRFVESQXJA-HIFRSBDPSA-N 0 3 399.561 0.940 20 0 GCADHN COc1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1F ZINC000655499689 1184485822 /nfs/dbraw/zinc/48/58/22/1184485822.db2.gz BGJFZIQVLBCXEI-UHFFFAOYSA-N 0 3 385.461 0.763 20 0 GCADHN C[C@@H]1CC[C@H](CNc2nc(NC[C@@H]3CC[C@@H](C)O3)nc(N3CCOCC3)n2)O1 ZINC000413373819 1184494296 /nfs/dbraw/zinc/49/42/96/1184494296.db2.gz ICQYNDGGTPTZGY-FPCVCCKLSA-N 0 3 392.504 0.511 20 0 GCADHN Cc1nn(C)c(-n2cccn2)c1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000275084776 1184501600 /nfs/dbraw/zinc/50/16/00/1184501600.db2.gz ACUCSMMLIAAXOQ-OAHLLOKOSA-N 0 3 387.488 0.587 20 0 GCADHN CC[C@H]1CN(CCN2C(=O)CCC2=O)[C@@H](CC)CN1CCN1C(=O)CCC1=O ZINC000533533117 1184514220 /nfs/dbraw/zinc/51/42/20/1184514220.db2.gz RSTVASLGGBZWPO-HOTGVXAUSA-N 0 3 392.500 0.459 20 0 GCADHN Cc1c([C@@H]2[C@H](C(=O)NCCCCN3CCN(C)CC3)CC(=O)N2C)cnn1C ZINC000683303870 1184515276 /nfs/dbraw/zinc/51/52/76/1184515276.db2.gz NGOQKBYRTNKHBB-APWZRJJASA-N 0 3 390.532 0.392 20 0 GCADHN Cc1nnc2n1C[C@H](CNC(=O)NC(C)(C)CCN1CCN(C)CC1)CC2 ZINC000547775040 1184544184 /nfs/dbraw/zinc/54/41/84/1184544184.db2.gz YEWZCUHUVZZFAC-INIZCTEOSA-N 0 3 377.537 0.864 20 0 GCADHN CC[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000275192132 1184545320 /nfs/dbraw/zinc/54/53/20/1184545320.db2.gz FUHDPUSVISNTCZ-HOCLYGCPSA-N 0 3 396.513 0.311 20 0 GCADHN CCN(CCO)CCNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F ZINC001625841852 1184558310 /nfs/dbraw/zinc/55/83/10/1184558310.db2.gz LUKCBTXIYTZTAA-UHFFFAOYSA-N 0 3 388.337 0.876 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000275373051 1184637688 /nfs/dbraw/zinc/63/76/88/1184637688.db2.gz ARWYNUCLXPONDY-ZDUSSCGKSA-N 0 3 392.456 0.327 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000275441378 1184670150 /nfs/dbraw/zinc/67/01/50/1184670150.db2.gz QJIXAXAJKLLRCX-UHFFFAOYSA-N 0 3 381.864 0.235 20 0 GCADHN CCNC(=O)CN1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000049794867 1184671677 /nfs/dbraw/zinc/67/16/77/1184671677.db2.gz FXSDMLFVPXFUCS-SFHVURJKSA-N 0 3 375.517 0.623 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1 ZINC000275460114 1184676319 /nfs/dbraw/zinc/67/63/19/1184676319.db2.gz HJYXPLOVPFMNQX-FUHWJXTLSA-N 0 3 377.489 0.510 20 0 GCADHN CN(C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000748111293 1184679867 /nfs/dbraw/zinc/67/98/67/1184679867.db2.gz KLYSIYCEMNBZGT-INIZCTEOSA-N 0 3 384.502 0.251 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1cc(F)cc(I)c1N ZINC001140132798 1184680834 /nfs/dbraw/zinc/68/08/34/1184680834.db2.gz PCTRRSOQRVOZQB-MRVPVSSYSA-N 0 3 381.189 0.665 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CCN1CC(C)(C)O ZINC000275525736 1184699196 /nfs/dbraw/zinc/69/91/96/1184699196.db2.gz JTGWVADBSPMTDX-CABCVRRESA-N 0 3 375.469 0.421 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NC(C)(C)C(=O)NCC2CCCCC2)CC1=O ZINC000124367460 1184717031 /nfs/dbraw/zinc/71/70/31/1184717031.db2.gz DJYHISVOACHPJX-INIZCTEOSA-N 0 3 380.533 0.988 20 0 GCADHN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579910720 1184718767 /nfs/dbraw/zinc/71/87/67/1184718767.db2.gz WPJZZWLCBQOZDJ-WBAXXEDZSA-N 0 3 376.501 0.641 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(O)(C(F)F)CC1 ZINC000430426117 1184720440 /nfs/dbraw/zinc/72/04/40/1184720440.db2.gz PVYRWUPISYOBSO-ZDUSSCGKSA-N 0 3 376.448 0.731 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN(CC(C)(C)O)[C@H](C)C2)cc1 ZINC000275578353 1184728833 /nfs/dbraw/zinc/72/88/33/1184728833.db2.gz PNSUOQLHSBBXQH-NVXWUHKLSA-N 0 3 380.485 0.990 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000275578355 1184729203 /nfs/dbraw/zinc/72/92/03/1184729203.db2.gz PNSUOQLHSBBXQH-RDJZCZTQSA-N 0 3 380.485 0.990 20 0 GCADHN CN1CC[C@H]2OCCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)[C@H]2C1 ZINC000332767660 1184746130 /nfs/dbraw/zinc/74/61/30/1184746130.db2.gz GUJSRPFGPANXNF-RBUKOAKNSA-N 0 3 394.560 0.543 20 0 GCADHN C[C@@H](CNC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000332799089 1184747084 /nfs/dbraw/zinc/74/70/84/1184747084.db2.gz UDDGDOFDANXUMY-PXNSSMCTSA-N 0 3 395.548 0.029 20 0 GCADHN CCn1cc(CCN2CC([C@@H](C)NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cn1 ZINC000970206037 1184752737 /nfs/dbraw/zinc/75/27/37/1184752737.db2.gz XADPZDPLLKFNJN-GRGSLBFTSA-N 0 3 376.501 0.934 20 0 GCADHN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000890988361 1184805497 /nfs/dbraw/zinc/80/54/97/1184805497.db2.gz NSWGDNIXQICTNH-HZPDHXFCSA-N 0 3 383.489 0.587 20 0 GCADHN CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000890988360 1184806033 /nfs/dbraw/zinc/80/60/33/1184806033.db2.gz NSWGDNIXQICTNH-HOTGVXAUSA-N 0 3 383.489 0.587 20 0 GCADHN CN1CCN([C@H](C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c2ccccc2)CC1 ZINC000579956548 1184824397 /nfs/dbraw/zinc/82/43/97/1184824397.db2.gz LYVWHBCGQFLYPH-PMACEKPBSA-N 0 3 397.527 0.889 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)CC1=O ZINC000891013149 1184834075 /nfs/dbraw/zinc/83/40/75/1184834075.db2.gz WLXMOXIMTGDRDX-GFCCVEGCSA-N 0 3 390.415 0.835 20 0 GCADHN O=C(NC1C[C@H]2CC[C@@H](C1)N2CCN1C(=O)CCC1=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001021328901 1184855571 /nfs/dbraw/zinc/85/55/71/1184855571.db2.gz MJAGZKDTYDDDSL-JPJJNNHBSA-N 0 3 387.480 0.670 20 0 GCADHN COCC[C@@]1(NCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)CCOC1 ZINC000683679385 1184883145 /nfs/dbraw/zinc/88/31/45/1184883145.db2.gz OHMOPFGPYRDIEG-AUUYWEPGSA-N 0 3 381.448 0.904 20 0 GCADHN CCN(C)C(=O)c1cccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)c1 ZINC000579996248 1184895622 /nfs/dbraw/zinc/89/56/22/1184895622.db2.gz SSKUXFWKCXTWAL-UHFFFAOYSA-N 0 3 384.546 0.892 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(CCO)CC2CCCCC2)CC1 ZINC000556371131 1184909708 /nfs/dbraw/zinc/90/97/08/1184909708.db2.gz QGHORDFNIHZBLX-GOSISDBHSA-N 0 3 396.576 0.777 20 0 GCADHN O=C(NC1C[C@H]2CC[C@@H](C1)N2CCN1C(=O)CNC1=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001021390957 1184920065 /nfs/dbraw/zinc/92/00/65/1184920065.db2.gz URRAMRFEZAIBMY-NFQTYWFVSA-N 0 3 376.457 0.217 20 0 GCADHN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000430469259 1184920380 /nfs/dbraw/zinc/92/03/80/1184920380.db2.gz IGWHPQBVEBROQB-SQNIBIBYSA-N 0 3 390.528 0.981 20 0 GCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(=O)N(C)C ZINC000275687652 1184929718 /nfs/dbraw/zinc/92/97/18/1184929718.db2.gz LZZGPPVNKFRTKT-MRXNPFEDSA-N 0 3 375.473 0.099 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(C(=O)OC)c(F)cc2F)CC1 ZINC000041718031 1184964729 /nfs/dbraw/zinc/96/47/29/1184964729.db2.gz KIJLEPWEXNOERV-UHFFFAOYSA-N 0 3 398.410 0.444 20 0 GCADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1O ZINC000970696658 1184971818 /nfs/dbraw/zinc/97/18/18/1184971818.db2.gz UPFXAGWYPCDJOZ-RYPCIWMOSA-N 0 3 384.440 0.126 20 0 GCADHN CN(C)CCn1nccc1C(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC000891136781 1184978311 /nfs/dbraw/zinc/97/83/11/1184978311.db2.gz DQKVUFPZYDKVPA-SANMLTNESA-N 0 3 384.550 0.871 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)c3ncn(C)n3)cc2)CC1 ZINC000275738506 1184992946 /nfs/dbraw/zinc/99/29/46/1184992946.db2.gz WFXBFTRBQCZYBY-OAHLLOKOSA-N 0 3 399.499 0.769 20 0 GCADHN COc1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)ccc1F ZINC000275740537 1184993621 /nfs/dbraw/zinc/99/36/21/1184993621.db2.gz WNXIXQQSPXEMNA-OAHLLOKOSA-N 0 3 394.447 0.832 20 0 GCADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C(C)C ZINC000580038231 1184996040 /nfs/dbraw/zinc/99/60/40/1184996040.db2.gz KEKYPSQDBCYEJC-UHFFFAOYSA-N 0 3 391.520 0.742 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CC1 ZINC000656063915 1184996571 /nfs/dbraw/zinc/99/65/71/1184996571.db2.gz IGJXBMZFHDYZJZ-UHFFFAOYSA-N 0 3 394.560 0.890 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)nc1 ZINC000656068144 1185005502 /nfs/dbraw/zinc/00/55/02/1185005502.db2.gz PUADVBPNLKONOX-MRXNPFEDSA-N 0 3 387.484 0.852 20 0 GCADHN COC[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1CCCOC1 ZINC000891179576 1185011613 /nfs/dbraw/zinc/01/16/13/1185011613.db2.gz YTZCCPVIKZSVPT-YESZJQIVSA-N 0 3 382.505 0.376 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)nc1 ZINC000656085676 1185021968 /nfs/dbraw/zinc/02/19/68/1185021968.db2.gz KBMCHEUTJLRNGJ-OAHLLOKOSA-N 0 3 375.473 0.707 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(OC2COC2)cc1)CN1CCN(C)CC1 ZINC000275752426 1185023024 /nfs/dbraw/zinc/02/30/24/1185023024.db2.gz XXQRONKMYPOXAD-OAHLLOKOSA-N 0 3 390.484 0.402 20 0 GCADHN CN(C)CCn1nccc1NC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001670516907 1185030953 /nfs/dbraw/zinc/03/09/53/1185030953.db2.gz HCWAFCZIWBAKGP-HUUCEWRRSA-N 0 3 399.517 0.645 20 0 GCADHN COc1ncc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)cc1C(N)=O ZINC000275763164 1185035773 /nfs/dbraw/zinc/03/57/73/1185035773.db2.gz VCXQPLCJRPTFCW-AWEZNQCLSA-N 0 3 389.456 0.605 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(Cn2cccn2)c1)CN1CCN(C)CC1 ZINC000118897454 1185038238 /nfs/dbraw/zinc/03/82/38/1185038238.db2.gz ORDLOWHEGXRHBG-KRWDZBQOSA-N 0 3 398.511 0.870 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(Cn2cccn2)c1)CN1CCN(C)CC1 ZINC000118897456 1185038916 /nfs/dbraw/zinc/03/89/16/1185038916.db2.gz ORDLOWHEGXRHBG-QGZVFWFLSA-N 0 3 398.511 0.870 20 0 GCADHN CN(CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CCO1 ZINC000275768523 1185039849 /nfs/dbraw/zinc/03/98/49/1185039849.db2.gz SCNSFLWLOZVWLH-LMMKCTJWSA-N 0 3 389.500 0.259 20 0 GCADHN CN(CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CCO1 ZINC000275768516 1185041475 /nfs/dbraw/zinc/04/14/75/1185041475.db2.gz SCNSFLWLOZVWLH-AOIWGVFYSA-N 0 3 389.500 0.259 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1ncoc1-c1ccccc1)CN1CCN(C)CC1 ZINC000580104297 1185064834 /nfs/dbraw/zinc/06/48/34/1185064834.db2.gz KWAADOFGEVJAEQ-MRXNPFEDSA-N 0 3 399.495 0.958 20 0 GCADHN COc1ccc(-n2cnnc2SCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000580129617 1185076885 /nfs/dbraw/zinc/07/68/85/1185076885.db2.gz JNZMBPOGPKFVAX-GJZGRUSLSA-N 0 3 377.470 0.501 20 0 GCADHN C[C@H](N[C@@H](C)c1cccc(-n2ccnn2)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000580176994 1185103898 /nfs/dbraw/zinc/10/38/98/1185103898.db2.gz NJLSIZFRGVGLSR-KKUMJFAQSA-N 0 3 391.497 0.857 20 0 GCADHN COc1cc(CNCCN2CCCC2=O)ccc1OCC(=O)N1CCOCC1 ZINC000580200878 1185115323 /nfs/dbraw/zinc/11/53/23/1185115323.db2.gz NYOWZSFQCAISRL-UHFFFAOYSA-N 0 3 391.468 0.645 20 0 GCADHN Cc1cccc([C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C(C)(C)C)c1 ZINC000580215616 1185120549 /nfs/dbraw/zinc/12/05/49/1185120549.db2.gz SANVMOLYKQTQEL-IKGGRYGDSA-N 0 3 386.496 0.969 20 0 GCADHN C[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000580230910 1185125289 /nfs/dbraw/zinc/12/52/89/1185125289.db2.gz HCDPMXNUFCJZHB-BRWVUGGUSA-N 0 3 378.517 0.836 20 0 GCADHN Cc1ccc(CNC(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(=O)n1C ZINC000683848554 1185131195 /nfs/dbraw/zinc/13/11/95/1185131195.db2.gz HXGDQRNNGXTCHR-YJBOKZPZSA-N 0 3 375.517 0.861 20 0 GCADHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000275811829 1185135461 /nfs/dbraw/zinc/13/54/61/1185135461.db2.gz VMFRTSFCOFCKBE-QGZVFWFLSA-N 0 3 375.473 0.404 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)N1CCCC1 ZINC000070965986 1185146231 /nfs/dbraw/zinc/14/62/31/1185146231.db2.gz NYIVYPFRMRGAHW-AWEZNQCLSA-N 0 3 376.457 0.693 20 0 GCADHN Cn1c(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000548076659 1185156945 /nfs/dbraw/zinc/15/69/45/1185156945.db2.gz NQDCIAUKQYUKBV-CQSZACIVSA-N 0 3 375.473 0.426 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000610422277 1185157778 /nfs/dbraw/zinc/15/77/78/1185157778.db2.gz ODYCKEDIRRDKNZ-UHFFFAOYSA-N 0 3 397.497 0.647 20 0 GCADHN COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(OC)cc1 ZINC000610420983 1185159045 /nfs/dbraw/zinc/15/90/45/1185159045.db2.gz KYRUVWPCQDVZIX-DOTOQJQBSA-N 0 3 391.468 0.826 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCO[C@@H](COC(C)C)C2)CC1 ZINC000584103869 1185167925 /nfs/dbraw/zinc/16/79/25/1185167925.db2.gz UUXRHKXHDAKPAU-ZWKOTPCHSA-N 0 3 398.548 0.029 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000668417351 1185176955 /nfs/dbraw/zinc/17/69/55/1185176955.db2.gz DBSCWIVLSMURAY-MRXNPFEDSA-N 0 3 389.500 0.523 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000580346403 1185183688 /nfs/dbraw/zinc/18/36/88/1185183688.db2.gz HHBQWOPDXFKGGN-NWDGAFQWSA-N 0 3 392.422 0.502 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000580347774 1185184564 /nfs/dbraw/zinc/18/45/64/1185184564.db2.gz KNUPVSVAIRJEOE-KOLCDFICSA-N 0 3 388.321 0.553 20 0 GCADHN O=C(NC[C@@H]1CCCS(=O)(=O)C1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000580350700 1185187318 /nfs/dbraw/zinc/18/73/18/1185187318.db2.gz PGNLLGCMWUEYGJ-HKUYNNGSSA-N 0 3 395.525 0.747 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000430485574 1185201666 /nfs/dbraw/zinc/20/16/66/1185201666.db2.gz PEPNNFLQTKVDFK-SJORKVTESA-N 0 3 380.533 0.940 20 0 GCADHN COC(=O)[C@H](Nc1ccc(C(=O)NC2CCN(C)CC2)nn1)C1CCOCC1 ZINC001167390463 1185215285 /nfs/dbraw/zinc/21/52/85/1185215285.db2.gz OKIIUAOKYQBPOW-QGZVFWFLSA-N 0 3 391.472 0.681 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CCS1 ZINC000580413209 1185223668 /nfs/dbraw/zinc/22/36/68/1185223668.db2.gz QFTXPMVYSDCFNV-LSDHHAIUSA-N 0 3 382.530 0.105 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCS1 ZINC000580413207 1185223927 /nfs/dbraw/zinc/22/39/27/1185223927.db2.gz QFTXPMVYSDCFNV-GJZGRUSLSA-N 0 3 382.530 0.105 20 0 GCADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@H](Cn4ccnn4)C3)cc21 ZINC001167396388 1185224758 /nfs/dbraw/zinc/22/47/58/1185224758.db2.gz BXOJGCNEYDAHMJ-HNNXBMFYSA-N 0 3 399.455 0.436 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)NCCS(=O)(=O)NC)CC1 ZINC000275881373 1185225757 /nfs/dbraw/zinc/22/57/57/1185225757.db2.gz KUVDPPBBWXILEM-UHFFFAOYSA-N 0 3 397.545 0.173 20 0 GCADHN COc1cc(CN2CCN(C(=O)NC[C@@H]3CNCCO3)CC2)cc(OC)c1 ZINC000580421098 1185226171 /nfs/dbraw/zinc/22/61/71/1185226171.db2.gz IWZBKFMRNFJFDZ-SFHVURJKSA-N 0 3 378.473 0.519 20 0 GCADHN Cc1cc(C)nc(-n2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c(C(C)C)n2)n1 ZINC000580466424 1185239720 /nfs/dbraw/zinc/23/97/20/1185239720.db2.gz AKCUUFSDLLAWHO-GOEBONIOSA-N 0 3 397.483 0.787 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1 ZINC000683945172 1185240897 /nfs/dbraw/zinc/24/08/97/1185240897.db2.gz PMLZITIPXFBGDD-CXAGYDPISA-N 0 3 380.470 0.405 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1 ZINC000683945335 1185241694 /nfs/dbraw/zinc/24/16/94/1185241694.db2.gz PMLZITIPXFBGDD-SUMWQHHRSA-N 0 3 380.470 0.405 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000891295517 1185262094 /nfs/dbraw/zinc/26/20/94/1185262094.db2.gz DIYSNOSGEYYTPZ-KXBFYZLASA-N 0 3 375.494 0.810 20 0 GCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000580525658 1185262267 /nfs/dbraw/zinc/26/22/67/1185262267.db2.gz YVJONOYFOOGBBS-QGZVFWFLSA-N 0 3 387.484 0.195 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000275907001 1185266382 /nfs/dbraw/zinc/26/63/82/1185266382.db2.gz KCBGLQXQVJGOBH-OLZOCXBDSA-N 0 3 375.429 0.213 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1C ZINC000275918834 1185276087 /nfs/dbraw/zinc/27/60/87/1185276087.db2.gz HEMXBAIXYMWXLC-UHFFFAOYSA-N 0 3 390.484 0.816 20 0 GCADHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OC)c1OC ZINC000580572366 1185278020 /nfs/dbraw/zinc/27/80/20/1185278020.db2.gz UFPDLQZJOBORSE-OLZOCXBDSA-N 0 3 378.429 0.166 20 0 GCADHN COc1nccc(CNCC[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2C)n1 ZINC001104309030 1185282817 /nfs/dbraw/zinc/28/28/17/1185282817.db2.gz BICZWQHYTUXRML-DLTWYDFYSA-N 0 3 378.473 0.863 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1CCNCC(=O)Nc1cnccn1 ZINC001104309155 1185283136 /nfs/dbraw/zinc/28/31/36/1185283136.db2.gz KPYOTTJJJCKDBH-FSZRXZPDSA-N 0 3 391.472 0.293 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(CC)CC2)cc1 ZINC000047962141 1185283368 /nfs/dbraw/zinc/28/33/68/1185283368.db2.gz RLDDQFPYRQVWMF-UHFFFAOYSA-N 0 3 389.500 0.519 20 0 GCADHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000580651175 1185297087 /nfs/dbraw/zinc/29/70/87/1185297087.db2.gz MZEQCNCAMJTLRS-ZBFHGGJFSA-N 0 3 384.502 0.631 20 0 GCADHN CC1(C)CCc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580660495 1185299313 /nfs/dbraw/zinc/29/93/13/1185299313.db2.gz PUWHUYNYKKPOAW-OIISXLGYSA-N 0 3 384.480 0.587 20 0 GCADHN CN(C(=O)CN1CCC(C)(C)C1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000580723060 1185315826 /nfs/dbraw/zinc/31/58/26/1185315826.db2.gz OGDFCGCWTZDGEY-UHFFFAOYSA-N 0 3 393.576 0.415 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000580726513 1185316580 /nfs/dbraw/zinc/31/65/80/1185316580.db2.gz VJNVXZNCVADGDX-XKQJLSEDSA-N 0 3 385.468 0.828 20 0 GCADHN O=C(NCCc1nnc2n1CCCCC2)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656289028 1185333553 /nfs/dbraw/zinc/33/35/53/1185333553.db2.gz JEIHGXWZQFPPLZ-HZPDHXFCSA-N 0 3 388.516 0.796 20 0 GCADHN COC(=O)c1ccsc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000275955845 1185335092 /nfs/dbraw/zinc/33/50/92/1185335092.db2.gz KMDGFSFTCDBTGW-UHFFFAOYSA-N 0 3 382.486 0.569 20 0 GCADHN O=C(NC1CCN(C(=O)C2CC2)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656288637 1185336980 /nfs/dbraw/zinc/33/69/80/1185336980.db2.gz FJAWMCVXPRBYTD-IAGOWNOFSA-N 0 3 376.501 0.637 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000275967794 1185342925 /nfs/dbraw/zinc/34/29/25/1185342925.db2.gz UIHQLBRWJLEFOK-UHFFFAOYSA-N 0 3 386.452 0.827 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000275969886 1185344172 /nfs/dbraw/zinc/34/41/72/1185344172.db2.gz UMHWRSJVJJBKOU-UHFFFAOYSA-N 0 3 388.468 0.650 20 0 GCADHN O=C(NCc1ccnc(-n2cccn2)c1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000580787575 1185359924 /nfs/dbraw/zinc/35/99/24/1185359924.db2.gz JGPRFICLCJNNDF-QGZVFWFLSA-N 0 3 382.468 0.970 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCC(CC(N)=O)CC2)c(OC)c1 ZINC000048025941 1185365359 /nfs/dbraw/zinc/36/53/59/1185365359.db2.gz GGOJAONCGMTRQY-OAHLLOKOSA-N 0 3 380.441 0.809 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCc2ncc(C)cc2C)CC1 ZINC000656300207 1185365605 /nfs/dbraw/zinc/36/56/05/1185365605.db2.gz MADCXHZZDGRGKL-QGZVFWFLSA-N 0 3 389.544 0.747 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(C)c1 ZINC000656299701 1185365971 /nfs/dbraw/zinc/36/59/71/1185365971.db2.gz BKXOKOFEEYAXIS-MRXNPFEDSA-N 0 3 375.517 0.357 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)nc1 ZINC000656310717 1185387539 /nfs/dbraw/zinc/38/75/39/1185387539.db2.gz DMIQAOKPPMRVOH-INIZCTEOSA-N 0 3 387.484 0.755 20 0 GCADHN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656315878 1185398934 /nfs/dbraw/zinc/39/89/34/1185398934.db2.gz MYUNLRBNBFJWMN-LTIDMASMSA-N 0 3 378.517 0.883 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(Cl)c1 ZINC000580904513 1185410744 /nfs/dbraw/zinc/41/07/44/1185410744.db2.gz VMHHKYZIVZVKHZ-SMDDNHRTSA-N 0 3 394.859 0.836 20 0 GCADHN O=C(NC1CCN(c2cccnn2)CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656324461 1185419014 /nfs/dbraw/zinc/41/90/14/1185419014.db2.gz USSJICANBOIDRT-DLBZAZTESA-N 0 3 386.500 0.695 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656332497 1185429935 /nfs/dbraw/zinc/42/99/35/1185429935.db2.gz XNUIANBQYQQYNJ-IAGOWNOFSA-N 0 3 394.516 0.263 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)n[nH]1 ZINC000656335236 1185431918 /nfs/dbraw/zinc/43/19/18/1185431918.db2.gz LITSSCJMSWOGFW-IRXDYDNUSA-N 0 3 388.516 0.936 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)n[nH]1 ZINC000656335234 1185432007 /nfs/dbraw/zinc/43/20/07/1185432007.db2.gz LITSSCJMSWOGFW-IAGOWNOFSA-N 0 3 388.516 0.936 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)n[nH]1 ZINC000656335237 1185432182 /nfs/dbraw/zinc/43/21/82/1185432182.db2.gz LITSSCJMSWOGFW-SJORKVTESA-N 0 3 388.516 0.936 20 0 GCADHN Cn1cc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2C2CC2)cn1 ZINC000580957362 1185445577 /nfs/dbraw/zinc/44/55/77/1185445577.db2.gz FOOCNDZQZYZLDZ-MRXNPFEDSA-N 0 3 384.488 0.756 20 0 GCADHN CC(C)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580963509 1185447720 /nfs/dbraw/zinc/44/77/20/1185447720.db2.gz OSOHUYYNOASKMG-STQMWFEESA-N 0 3 376.482 0.896 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000656354071 1185450680 /nfs/dbraw/zinc/45/06/80/1185450680.db2.gz DYQWPWMPXZKBHF-IRXDYDNUSA-N 0 3 379.501 0.775 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656357284 1185453426 /nfs/dbraw/zinc/45/34/26/1185453426.db2.gz YPJBSKQOSITGKY-QZTJIDSGSA-N 0 3 394.560 0.936 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCN1CC(C)(C)O ZINC000656355728 1185454054 /nfs/dbraw/zinc/45/40/54/1185454054.db2.gz NLAXBGAVWUCLSV-IKGGRYGDSA-N 0 3 380.533 0.423 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000656356879 1185456490 /nfs/dbraw/zinc/45/64/90/1185456490.db2.gz HUZHPNAHEBGSSR-IPMKNSEASA-N 0 3 392.544 0.690 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356462 1185457183 /nfs/dbraw/zinc/45/71/83/1185457183.db2.gz DMTIKFPNOMEVQD-YTQUADARSA-N 0 3 392.544 0.831 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000656356830 1185457323 /nfs/dbraw/zinc/45/73/23/1185457323.db2.gz XHHVVNUNGLZBEZ-SJORKVTESA-N 0 3 376.501 0.590 20 0 GCADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656356509 1185457455 /nfs/dbraw/zinc/45/74/55/1185457455.db2.gz FECLFVDSUDCEGI-XDNAFOTISA-N 0 3 380.533 0.687 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000656358866 1185460179 /nfs/dbraw/zinc/46/01/79/1185460179.db2.gz NALLGSDIDFYUJQ-JKSUJKDBSA-N 0 3 388.468 0.697 20 0 GCADHN CC(C)C(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656357890 1185460261 /nfs/dbraw/zinc/46/02/61/1185460261.db2.gz HLROEQXDCVMXMA-IRXDYDNUSA-N 0 3 378.517 0.836 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000656359181 1185461631 /nfs/dbraw/zinc/46/16/31/1185461631.db2.gz WTBFOJTYEFXYDA-VXGBXAGGSA-N 0 3 376.379 0.310 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000656358473 1185462581 /nfs/dbraw/zinc/46/25/81/1185462581.db2.gz KWBFTFHAWGFIBY-FUHWJXTLSA-N 0 3 399.495 0.499 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000656358475 1185463204 /nfs/dbraw/zinc/46/32/04/1185463204.db2.gz KWBFTFHAWGFIBY-SJLPKXTDSA-N 0 3 399.495 0.499 20 0 GCADHN Cn1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)cn1 ZINC000656360152 1185463381 /nfs/dbraw/zinc/46/33/81/1185463381.db2.gz RWDGMKJJKKAJJY-QZTJIDSGSA-N 0 3 388.516 0.197 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)[C@@H]2C1 ZINC000581007521 1185467837 /nfs/dbraw/zinc/46/78/37/1185467837.db2.gz MFVLKSZJECQOSP-PMUMKWKESA-N 0 3 378.473 0.155 20 0 GCADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000581029844 1185472562 /nfs/dbraw/zinc/47/25/62/1185472562.db2.gz TWTJBZHDVSVHGP-JKSUJKDBSA-N 0 3 385.505 0.302 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c2ccccc2O1 ZINC000276019054 1185483982 /nfs/dbraw/zinc/48/39/82/1185483982.db2.gz HRTCYPKWWOKZBO-CXAGYDPISA-N 0 3 386.452 0.293 20 0 GCADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000581093937 1185494564 /nfs/dbraw/zinc/49/45/64/1185494564.db2.gz LWJDTDVRVNUKRW-ZACQAIPSSA-N 0 3 390.532 0.884 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000510365874 1185496831 /nfs/dbraw/zinc/49/68/31/1185496831.db2.gz ZXHDSPGVKHQHMB-AWEZNQCLSA-N 0 3 396.513 0.724 20 0 GCADHN CC(C)(C)OC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)O1 ZINC000581101615 1185498739 /nfs/dbraw/zinc/49/87/39/1185498739.db2.gz AASBPZDKFNRSJA-JKSUJKDBSA-N 0 3 395.500 0.642 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000581142206 1185514963 /nfs/dbraw/zinc/51/49/63/1185514963.db2.gz JFZBMCKTPAJIIJ-AWEZNQCLSA-N 0 3 376.457 0.726 20 0 GCADHN O=S1(=O)NC[C@@H]2CN(CCCN3CCN(c4ccccc4)CC3)CCN21 ZINC000933102571 1185532562 /nfs/dbraw/zinc/53/25/62/1185532562.db2.gz ZPXKRQUGMOFVHY-GOSISDBHSA-N 0 3 379.530 0.033 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]32)C1 ZINC001021793222 1185535512 /nfs/dbraw/zinc/53/55/12/1185535512.db2.gz BFTXIPYKRRVHPH-YYIAUSFCSA-N 0 3 390.528 0.692 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C ZINC000785038505 1185545680 /nfs/dbraw/zinc/54/56/80/1185545680.db2.gz BFVQYQPFDFGUNK-UHFFFAOYSA-N 0 3 399.513 0.977 20 0 GCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cncc(OC)n1 ZINC000581255431 1185559205 /nfs/dbraw/zinc/55/92/05/1185559205.db2.gz HKFLCWKLDPKOTD-MRXNPFEDSA-N 0 3 398.467 1.332 20 0 GCADHN CC(C)(C)O[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)[C@H]1n1cccn1 ZINC000581261642 1185560742 /nfs/dbraw/zinc/56/07/42/1185560742.db2.gz MNHQTIMGICICAY-ZVDSWSACSA-N 0 3 390.488 0.334 20 0 GCADHN CC(C)CN1C[C@H]2CN(C(=O)NCCCCN3CCN(C)CC3)CCN2C1=O ZINC000581286778 1185570508 /nfs/dbraw/zinc/57/05/08/1185570508.db2.gz IMCFUMUOMXPDHG-GOSISDBHSA-N 0 3 394.564 0.801 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000581321880 1185592257 /nfs/dbraw/zinc/59/22/57/1185592257.db2.gz BLGUIXIOCOPBIF-DZGCQCFKSA-N 0 3 395.485 0.149 20 0 GCADHN CO[C@H](C)[C@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000276133172 1185592824 /nfs/dbraw/zinc/59/28/24/1185592824.db2.gz LXKHHIBHAQEYGR-NWDGAFQWSA-N 0 3 378.429 0.634 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(OC(F)F)cc1 ZINC000581322002 1185593268 /nfs/dbraw/zinc/59/32/68/1185593268.db2.gz GHCSVGWDEKWBHA-SUHUHFCYSA-N 0 3 396.394 0.236 20 0 GCADHN CCc1nnc(CNCC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)n1C ZINC001104345488 1185612806 /nfs/dbraw/zinc/61/28/06/1185612806.db2.gz IWFKHKZTCNGTJP-QBPKDAKJSA-N 0 3 392.548 0.671 20 0 GCADHN CCn1nc(C)c(CNCC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104346799 1185618381 /nfs/dbraw/zinc/61/83/81/1185618381.db2.gz JSCMAQHPWJOIOC-FXRXJOCMSA-N 0 3 392.548 0.900 20 0 GCADHN Nc1nc(CN2CCN(C(=O)CNC[C@H]3CCCO3)CC2)nc2ccccc12 ZINC000581368679 1185619454 /nfs/dbraw/zinc/61/94/54/1185619454.db2.gz WKJDGPXAIQZMSI-OAHLLOKOSA-N 0 3 384.484 0.625 20 0 GCADHN COc1ccc(OC(C)C)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000581381330 1185627573 /nfs/dbraw/zinc/62/75/73/1185627573.db2.gz XTARFZPVOSQTPI-GXTWGEPZSA-N 0 3 390.440 0.191 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000581385663 1185630722 /nfs/dbraw/zinc/63/07/22/1185630722.db2.gz JEWDDQLRJJLGHL-PBHICJAKSA-N 0 3 399.538 0.474 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCC(F)(F)CO)c2)CC1 ZINC000468086325 1185642109 /nfs/dbraw/zinc/64/21/09/1185642109.db2.gz LHVBPEWIVPTQNY-UHFFFAOYSA-N 0 3 384.427 0.899 20 0 GCADHN Cc1c([C@H]2[C@H](CNC(=O)N3CCN(C)CC[C@@H]3C)CC(=O)N2C)cnn1C ZINC000581405821 1185648860 /nfs/dbraw/zinc/64/88/60/1185648860.db2.gz OSZLWEGMEHDFMY-DHSIGJKJSA-N 0 3 376.505 0.984 20 0 GCADHN O=C(NCCCn1nc2n(c1=O)CCCC2)NC[C@H]1Cc2ccccc2CN1 ZINC000891383531 1185654412 /nfs/dbraw/zinc/65/44/12/1185654412.db2.gz VFWNRIINODNSDV-QGZVFWFLSA-N 0 3 384.484 0.785 20 0 GCADHN CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000066222678 1185671540 /nfs/dbraw/zinc/67/15/40/1185671540.db2.gz ZSHSBZCMHNESOG-INIZCTEOSA-N 0 3 379.482 0.866 20 0 GCADHN CC(C)NC(=S)N1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001279108402 1185671832 /nfs/dbraw/zinc/67/18/32/1185671832.db2.gz SNJZZEHISMAUTO-LJQANCHMSA-N 0 3 381.590 0.831 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1C[C@@H](O)C[C@H]1CO ZINC000276210090 1185683493 /nfs/dbraw/zinc/68/34/93/1185683493.db2.gz WEKUAOBTPHVZAX-IRXDYDNUSA-N 0 3 393.509 0.171 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)Nc1ccc2c(c1)OCCO2 ZINC000430602665 1185686481 /nfs/dbraw/zinc/68/64/81/1185686481.db2.gz HPUFOAVUXJBNRB-HNNXBMFYSA-N 0 3 388.468 0.540 20 0 GCADHN COC(=O)c1ccc(N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)[C@H](C)C2)cc1 ZINC000581430259 1185689887 /nfs/dbraw/zinc/68/98/87/1185689887.db2.gz TYHIKKCWKXBYGV-KDOFPFPSSA-N 0 3 390.484 0.610 20 0 GCADHN CCN1CCN(CCCNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1 ZINC000072008791 1185695284 /nfs/dbraw/zinc/69/52/84/1185695284.db2.gz RXFJTMINDWDDDY-INIZCTEOSA-N 0 3 386.500 0.469 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000072067275 1185699462 /nfs/dbraw/zinc/69/94/62/1185699462.db2.gz PZTZCJCUKPURAD-INIZCTEOSA-N 0 3 382.530 0.822 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)c2)CC1 ZINC000276313124 1185729681 /nfs/dbraw/zinc/72/96/81/1185729681.db2.gz NMWYPSQDIVLSSN-JKSUJKDBSA-N 0 3 392.500 0.357 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000581500480 1185730685 /nfs/dbraw/zinc/73/06/85/1185730685.db2.gz UMMRQZZPZQDPBU-IRXDYDNUSA-N 0 3 384.480 0.385 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)C3CCOCC3)C2)CC1 ZINC000581507784 1185731973 /nfs/dbraw/zinc/73/19/73/1185731973.db2.gz XDVDGRIQSNCUPI-AEFFLSMTSA-N 0 3 380.533 0.545 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC001022005767 1185742962 /nfs/dbraw/zinc/74/29/62/1185742962.db2.gz YZZCHDPQIZDAPI-CUSZFKRNSA-N 0 3 379.501 0.582 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc([N-]S(=O)(=O)CCc2ccc(F)cc2)cn1 ZINC000656624716 1185745343 /nfs/dbraw/zinc/74/53/43/1185745343.db2.gz QGPMSNKLNNCZCG-UHFFFAOYSA-N 0 3 397.476 0.684 20 0 GCADHN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)o1 ZINC000581538581 1185748704 /nfs/dbraw/zinc/74/87/04/1185748704.db2.gz VYQCUMPZUMZSDR-XPKDYRNWSA-N 0 3 386.456 0.933 20 0 GCADHN CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C)C2)cc(=O)[n-]1 ZINC000276350463 1185755791 /nfs/dbraw/zinc/75/57/91/1185755791.db2.gz HRQVFYGOFIBWSO-HZPDHXFCSA-N 0 3 391.520 0.558 20 0 GCADHN CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)C2)cc(=O)[n-]1 ZINC000276350463 1185755795 /nfs/dbraw/zinc/75/57/95/1185755795.db2.gz HRQVFYGOFIBWSO-HZPDHXFCSA-N 0 3 391.520 0.558 20 0 GCADHN CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCCCN2CCN(C)CC2)C1(C)C ZINC000581563009 1185762120 /nfs/dbraw/zinc/76/21/20/1185762120.db2.gz PLOQOPHUUJJAMM-SJORKVTESA-N 0 3 382.549 0.792 20 0 GCADHN CCO[C@H]1C[C@H](N(C)C(=O)C(=O)NCCCCN2CCN(C)CC2)C1(C)C ZINC000581563008 1185762282 /nfs/dbraw/zinc/76/22/82/1185762282.db2.gz PLOQOPHUUJJAMM-IRXDYDNUSA-N 0 3 382.549 0.792 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]32)O1 ZINC001022017254 1185769774 /nfs/dbraw/zinc/76/97/74/1185769774.db2.gz FEURGQHEDIEWBB-YYIAUSFCSA-N 0 3 378.517 0.249 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000074658514 1185774809 /nfs/dbraw/zinc/77/48/09/1185774809.db2.gz VQWJSBRWVSSZFE-KRWDZBQOSA-N 0 3 375.521 0.582 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(CN2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000430615591 1185778590 /nfs/dbraw/zinc/77/85/90/1185778590.db2.gz CJFBUDBVODXETK-KRWDZBQOSA-N 0 3 394.541 0.581 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)cc3F)CCN2C1=O ZINC000581618413 1185790629 /nfs/dbraw/zinc/79/06/29/1185790629.db2.gz BCAUPGJOZMZBBH-LDYMZIIASA-N 0 3 386.330 0.136 20 0 GCADHN CN(Cc1ccccc1F)C(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430622580 1185800931 /nfs/dbraw/zinc/80/09/31/1185800931.db2.gz FRWXHRMNMIVBMO-KRWDZBQOSA-N 0 3 376.476 0.928 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NCCOc1ccc(F)cc1 ZINC000430632678 1185822586 /nfs/dbraw/zinc/82/25/86/1185822586.db2.gz ZAPYDTANZAFCHY-INIZCTEOSA-N 0 3 392.475 0.465 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NCc1ccc2c(c1)OCO2 ZINC000430636479 1185834865 /nfs/dbraw/zinc/83/48/65/1185834865.db2.gz JHQLDCQUGNGUAL-INIZCTEOSA-N 0 3 388.468 0.175 20 0 GCADHN COc1ccccc1CCNC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430642203 1185854686 /nfs/dbraw/zinc/85/46/86/1185854686.db2.gz ODQPKYJHWOPUCC-GOSISDBHSA-N 0 3 388.512 0.498 20 0 GCADHN COc1ccccc1N1CC[C@@H](N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1=O ZINC000430642394 1185854924 /nfs/dbraw/zinc/85/49/24/1185854924.db2.gz KECOPALFPDDIKA-SJLPKXTDSA-N 0 3 386.496 0.944 20 0 GCADHN O=C([C@H]1CCCN(CCCS(=O)(=O)c2ccccc2)C1)N1CCNCC1 ZINC000430644828 1185857600 /nfs/dbraw/zinc/85/76/00/1185857600.db2.gz ZIFDNYANNDCWCU-KRWDZBQOSA-N 0 3 379.526 0.994 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NCC1(c2ccccc2)CC1 ZINC000430646129 1185861466 /nfs/dbraw/zinc/86/14/66/1185861466.db2.gz DJPLISDQZVJXOU-GOSISDBHSA-N 0 3 384.524 0.978 20 0 GCADHN Cn1cc(-c2nc([C@H]3COCCN3C(=O)CNC[C@H]3CCCO3)no2)cn1 ZINC000581721400 1185864475 /nfs/dbraw/zinc/86/44/75/1185864475.db2.gz UCZSKXWFROBBGO-ZIAGYGMSSA-N 0 3 376.417 0.139 20 0 GCADHN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)CNC[C@@H]3CCCO3)no2)cn1 ZINC000581721397 1185864630 /nfs/dbraw/zinc/86/46/30/1185864630.db2.gz UCZSKXWFROBBGO-KBPBESRZSA-N 0 3 376.417 0.139 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCCc2ccccc2N2CCOCC2)CC1=O ZINC000581731577 1185871111 /nfs/dbraw/zinc/87/11/11/1185871111.db2.gz GPHDZSLOBXATIA-GOSISDBHSA-N 0 3 388.512 0.592 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)NC[C@H]1CCCN(C)C1)C(=O)NCCC2 ZINC000656897109 1185879212 /nfs/dbraw/zinc/87/92/12/1185879212.db2.gz NUJNIZOAYMRCTM-CYBMUJFWSA-N 0 3 381.498 0.991 20 0 GCADHN CCN1CCN(CCNC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CC(C)C)CC1 ZINC000581757671 1185882190 /nfs/dbraw/zinc/88/21/90/1185882190.db2.gz SKHRRTNNMZFLBB-QGZVFWFLSA-N 0 3 378.521 0.237 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CC(C)c1cnc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000277090421 1186240674 /nfs/dbraw/zinc/24/06/74/1186240674.db2.gz UCINMYNZGCPVJV-CYBMUJFWSA-N 0 3 393.513 0.970 20 0 GCADHN CCCc1cnc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000277120885 1186245080 /nfs/dbraw/zinc/24/50/80/1186245080.db2.gz XQPPLNVWSQSKSG-AWEZNQCLSA-N 0 3 393.513 0.799 20 0 GCADHN CCc1cnc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)s1 ZINC000277140000 1186248944 /nfs/dbraw/zinc/24/89/44/1186248944.db2.gz CRMWRKMHMOUUTA-ZDUSSCGKSA-N 0 3 381.502 0.703 20 0 GCADHN O=c1[nH]c2ccc(S(=O)(=O)N[C@@H]3CCN(C4CCCCC4)C3)cc2[nH]c1=O ZINC000657160431 1186250566 /nfs/dbraw/zinc/25/05/66/1186250566.db2.gz GAKCLSRCEGSTLA-GFCCVEGCSA-N 0 3 392.481 0.902 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)C[C@H]1N(C)C ZINC000277162164 1186262557 /nfs/dbraw/zinc/26/25/57/1186262557.db2.gz QVPJJCCHORLNTB-MDZRGWNJSA-N 0 3 377.510 0.897 20 0 GCADHN Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001707915066 1186272243 /nfs/dbraw/zinc/27/22/43/1186272243.db2.gz FWKBOBLFUUZJLN-WMZOPIPTSA-N 0 3 378.521 0.466 20 0 GCADHN Cc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001707916872 1186275459 /nfs/dbraw/zinc/27/54/59/1186275459.db2.gz OGDHEOGYSJXEEP-INIZCTEOSA-N 0 3 390.536 0.169 20 0 GCADHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NCc1cccs1 ZINC001267014514 1186280232 /nfs/dbraw/zinc/28/02/32/1186280232.db2.gz DDKGIABFIBLYDG-JHMDWKRSSA-N 0 3 375.494 0.978 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)C1 ZINC000611021359 1186282827 /nfs/dbraw/zinc/28/28/27/1186282827.db2.gz DAPIKDRSKPODMZ-HZPDHXFCSA-N 0 3 391.534 0.189 20 0 GCADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCC1CCS(=O)(=O)CC1 ZINC000563143643 1186304240 /nfs/dbraw/zinc/30/42/40/1186304240.db2.gz WQNXMTHRVKIUTE-KRWDZBQOSA-N 0 3 393.509 0.402 20 0 GCADHN CN(CCNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000053349653 1186328489 /nfs/dbraw/zinc/32/84/89/1186328489.db2.gz LZMSNHKFUGIBBA-UHFFFAOYSA-N 0 3 398.467 0.072 20 0 GCADHN C[C@H](CNC(=O)N(C)Cc1ccccc1S(N)(=O)=O)CN1CCN(C)CC1 ZINC000431300564 1186330185 /nfs/dbraw/zinc/33/01/85/1186330185.db2.gz QVQPFQRAIVXLJB-OAHLLOKOSA-N 0 3 397.545 0.359 20 0 GCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000892084266 1186334343 /nfs/dbraw/zinc/33/43/43/1186334343.db2.gz MLKAYAWRYDJXFJ-DLBZAZTESA-N 0 3 380.514 0.984 20 0 GCADHN CC(C)c1ccccc1OCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582015008 1186342422 /nfs/dbraw/zinc/34/24/22/1186342422.db2.gz WWSNPENOUNBSRH-GDBMZVCRSA-N 0 3 388.468 0.075 20 0 GCADHN Cc1cc(O)cc(=O)n1CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000536431216 1186342651 /nfs/dbraw/zinc/34/26/51/1186342651.db2.gz JWAOPGLBEGURQP-HKUYNNGSSA-N 0 3 385.464 0.862 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N(CCN(C)C)C(C)C)CC2)cn1C ZINC000151810322 1186343476 /nfs/dbraw/zinc/34/34/76/1186343476.db2.gz WALLJNLHZQQJGQ-UHFFFAOYSA-N 0 3 399.561 0.928 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472099842 1186349953 /nfs/dbraw/zinc/34/99/53/1186349953.db2.gz KYISMPQNCFMZMM-SJORKVTESA-N 0 3 388.578 0.723 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000277393420 1186359990 /nfs/dbraw/zinc/35/99/90/1186359990.db2.gz DVDFEYYUEFBKLB-QZTJIDSGSA-N 0 3 387.484 0.697 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000472121274 1186363847 /nfs/dbraw/zinc/36/38/47/1186363847.db2.gz ZXYSWZXMQOZRFX-YESZJQIVSA-N 0 3 378.517 0.694 20 0 GCADHN COCCN1CCC(NC(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 ZINC000582040355 1186379591 /nfs/dbraw/zinc/37/95/91/1186379591.db2.gz NQUWPGPCHAZDCM-UHFFFAOYSA-N 0 3 390.440 0.809 20 0 GCADHN NC(=O)CSc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934254348 1186380327 /nfs/dbraw/zinc/38/03/27/1186380327.db2.gz JKYZLJNBHMGUBA-JKSUJKDBSA-N 0 3 392.525 0.734 20 0 GCADHN CN1C(=O)c2ccc(NC(=O)CN3CC[C@@H]4[C@@H]3CCCN4CCO)cc2C1=O ZINC000934265865 1186394315 /nfs/dbraw/zinc/39/43/15/1186394315.db2.gz XNJDYHZHSJQQIK-DLBZAZTESA-N 0 3 386.452 0.382 20 0 GCADHN COC(=O)COc1ccccc1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000892176236 1186402664 /nfs/dbraw/zinc/40/26/64/1186402664.db2.gz SLPQBJUTWZPGMQ-KRWDZBQOSA-N 0 3 375.469 0.977 20 0 GCADHN COC(=O)c1ccc2[nH]c(CNC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)nc2c1 ZINC000582084526 1186403876 /nfs/dbraw/zinc/40/38/76/1186403876.db2.gz UTDZOQSBNNFFDI-CYBMUJFWSA-N 0 3 387.440 0.376 20 0 GCADHN CC(=O)N[C@@H](C)C1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000582090981 1186407250 /nfs/dbraw/zinc/40/72/50/1186407250.db2.gz WEZFHWXOXFHFMB-WMLDXEAASA-N 0 3 380.533 0.986 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1 ZINC000152168786 1186411790 /nfs/dbraw/zinc/41/17/90/1186411790.db2.gz CPLJQTAUYRJICT-HOTGVXAUSA-N 0 3 393.536 0.312 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000785115773 1186412268 /nfs/dbraw/zinc/41/22/68/1186412268.db2.gz IGRURTFPEHANRK-UHFFFAOYSA-N 0 3 397.497 0.731 20 0 GCADHN O=C(NC[C@@H]1CCCCN1C1CC1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000582100031 1186416312 /nfs/dbraw/zinc/41/63/12/1186416312.db2.gz LDVUGCHARSXHOH-KRWDZBQOSA-N 0 3 391.516 0.480 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCCCn1cc(C(N)=O)nn1 ZINC000413447758 1186421405 /nfs/dbraw/zinc/42/14/05/1186421405.db2.gz IQGMQVAEDKHJRH-DOTOQJQBSA-N 0 3 399.499 0.977 20 0 GCADHN C[C@H](Sc1ncccc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C(=O)N1CCCC1 ZINC000582131569 1186427500 /nfs/dbraw/zinc/42/75/00/1186427500.db2.gz LFILFRRYQQFRTO-BPUTZDHNSA-N 0 3 392.525 0.932 20 0 GCADHN C[C@@H]1CN(C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@H]1C(=O)N1CCOCC1 ZINC000375675318 1186447679 /nfs/dbraw/zinc/44/76/79/1186447679.db2.gz LPIRZEYUTRUIHK-IAGOWNOFSA-N 0 3 395.548 0.149 20 0 GCADHN Cc1c(Cl)cc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1F ZINC000582192156 1186459397 /nfs/dbraw/zinc/45/93/97/1186459397.db2.gz AAQJDRDWNCEUSF-LDYMZIIASA-N 0 3 386.786 0.636 20 0 GCADHN C[C@H](c1cccc(NC(=O)C(=O)NCCN(C)CCO)c1)N1CCOCC1 ZINC000892219026 1186459658 /nfs/dbraw/zinc/45/96/58/1186459658.db2.gz NPIWXXXXWHSZEZ-OAHLLOKOSA-N 0 3 378.473 0.059 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc2ncsc2c1 ZINC000582193013 1186460446 /nfs/dbraw/zinc/46/04/46/1186460446.db2.gz CDYUGYMLAPTJPR-WCFLWFBJSA-N 0 3 387.465 0.244 20 0 GCADHN CCOC(=O)C1(C(F)(F)F)CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000926378477 1186460884 /nfs/dbraw/zinc/46/08/84/1186460884.db2.gz PJVJUKHPFDUUJF-UHFFFAOYSA-N 0 3 379.379 0.543 20 0 GCADHN C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NCCN(C)CCO)C[C@H](C)O1 ZINC000892221169 1186464017 /nfs/dbraw/zinc/46/40/17/1186464017.db2.gz PAJHRWGECOUMPL-HOTGVXAUSA-N 0 3 392.500 0.275 20 0 GCADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000108965507 1186465508 /nfs/dbraw/zinc/46/55/08/1186465508.db2.gz HMZRBAZDSHNAGK-UHFFFAOYSA-N 0 3 384.480 0.845 20 0 GCADHN Cc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000277517171 1186467184 /nfs/dbraw/zinc/46/71/84/1186467184.db2.gz LKMMCZLLBXQLPN-AWEZNQCLSA-N 0 3 385.468 0.687 20 0 GCADHN O=C1C[C@H](NCc2ccc(O[C@@H]3CCOC3)cc2)CN1CCN1CCOCC1 ZINC000657368482 1186468452 /nfs/dbraw/zinc/46/84/52/1186468452.db2.gz XMNGTRHWEQOBFE-AZUAARDMSA-N 0 3 389.496 0.877 20 0 GCADHN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)C2)n1 ZINC000582227443 1186469969 /nfs/dbraw/zinc/46/99/69/1186469969.db2.gz BKMFWHJPBMTTFC-KSZLIROESA-N 0 3 388.516 0.829 20 0 GCADHN CCC[C@H](CCc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582253172 1186475732 /nfs/dbraw/zinc/47/57/32/1186475732.db2.gz NRMHWOSDEBLFPP-KURKYZTESA-N 0 3 386.496 0.675 20 0 GCADHN COC(=O)[C@H](C)Sc1ccccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582252568 1186478338 /nfs/dbraw/zinc/47/83/38/1186478338.db2.gz KYNNVRGMKAPMNI-OUCADQQQSA-N 0 3 377.466 0.724 20 0 GCADHN Cn1c2[nH]c(CCC(=O)N3CCN(CCC(C)(C)C)CC3)nc2c(=O)[nH]c1=O ZINC000109412654 1186484503 /nfs/dbraw/zinc/48/45/03/1186484503.db2.gz ILYOQKPIJRMFJG-UHFFFAOYSA-N 0 3 390.488 0.463 20 0 GCADHN C[C@H]1NCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)[C@@H]1C ZINC000277537256 1186488459 /nfs/dbraw/zinc/48/84/59/1186488459.db2.gz VWZZXIXHIMXSNJ-CHWSQXEVSA-N 0 3 385.461 0.669 20 0 GCADHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000582316898 1186493363 /nfs/dbraw/zinc/49/33/63/1186493363.db2.gz LXEVFBOWCSAMGU-LJQANCHMSA-N 0 3 393.509 0.622 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Sc1ccccc1 ZINC000582313057 1186494020 /nfs/dbraw/zinc/49/40/20/1186494020.db2.gz XCLJBAFYYAMMAV-VNHYZAJKSA-N 0 3 376.482 0.054 20 0 GCADHN O=C(CN[C@H]1CCOC12CCOCC2)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000934406111 1186508699 /nfs/dbraw/zinc/50/86/99/1186508699.db2.gz NTENZICPJWOABU-HNNXBMFYSA-N 0 3 383.395 0.947 20 0 GCADHN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@H]1CCOC12CCOCC2 ZINC000934406719 1186509177 /nfs/dbraw/zinc/50/91/77/1186509177.db2.gz VKCOLOYWRYCMHY-KRWDZBQOSA-N 0 3 391.468 0.986 20 0 GCADHN CN(CC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1)C1CCC1 ZINC001022726332 1186511269 /nfs/dbraw/zinc/51/12/69/1186511269.db2.gz DORREDIMJGXSME-WBTNSWJXSA-N 0 3 376.501 0.432 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@H](C(N)=O)c2ccccc2)CC1 ZINC000158613738 1186523976 /nfs/dbraw/zinc/52/39/76/1186523976.db2.gz XQPYAOYWGNNFJE-INIZCTEOSA-N 0 3 391.497 0.996 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000582412078 1186524833 /nfs/dbraw/zinc/52/48/33/1186524833.db2.gz MTNAMZSTZBSEEB-XHSDSOJGSA-N 0 3 381.517 0.922 20 0 GCADHN O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000277605849 1186534722 /nfs/dbraw/zinc/53/47/22/1186534722.db2.gz UTKCPXVDGXHQID-WBVHZDCISA-N 0 3 387.484 0.898 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1C ZINC000288520608 1186546469 /nfs/dbraw/zinc/54/64/69/1186546469.db2.gz KHPLETQFGWPMOS-RHSMWYFYSA-N 0 3 387.480 0.469 20 0 GCADHN CO[C@@](C)([C@H](C)NC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)C1CC1 ZINC000582481481 1186546899 /nfs/dbraw/zinc/54/68/99/1186546899.db2.gz IQOWIEXTTRFOEH-MDKPJZGXSA-N 0 3 394.560 0.933 20 0 GCADHN COc1ccc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC001087212145 1186550832 /nfs/dbraw/zinc/55/08/32/1186550832.db2.gz PCCICUBTRWYKLX-BSWAZPDLSA-N 0 3 390.484 0.840 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1SC ZINC000582497972 1186551366 /nfs/dbraw/zinc/55/13/66/1186551366.db2.gz CGGXBHRSILVVPM-NEPJUHHUSA-N 0 3 378.454 0.126 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C(=O)N1CCCOCC1 ZINC000582511939 1186556159 /nfs/dbraw/zinc/55/61/59/1186556159.db2.gz WWUBFSGJIFMYSZ-GOSISDBHSA-N 0 3 375.469 0.643 20 0 GCADHN C[C@@H]1OCC[C@]1(O)CNCc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC000657456502 1186562877 /nfs/dbraw/zinc/56/28/77/1186562877.db2.gz YYPKAHPRGNKGMG-RBZFPXEDSA-N 0 3 384.436 0.846 20 0 GCADHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582556907 1186565343 /nfs/dbraw/zinc/56/53/43/1186565343.db2.gz IJGXLFNTGNSCMF-ZWKOPEQDSA-N 0 3 387.406 0.936 20 0 GCADHN Cc1nc(C)c(CC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(=O)[n-]1 ZINC000127901083 1186570594 /nfs/dbraw/zinc/57/05/94/1186570594.db2.gz UUFWENMRKVTLOA-GJZGRUSLSA-N 0 3 375.517 0.946 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1 ZINC000611625326 1186572095 /nfs/dbraw/zinc/57/20/95/1186572095.db2.gz CAEPEUXZMVZKAF-MRXNPFEDSA-N 0 3 383.518 0.423 20 0 GCADHN Cn1cc(CNCCN2CCC(O)CC2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657484733 1186580841 /nfs/dbraw/zinc/58/08/41/1186580841.db2.gz FRLDVUQAOOVDKS-UHFFFAOYSA-N 0 3 397.479 0.763 20 0 GCADHN CCc1noc(CC)c1CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611645088 1186583317 /nfs/dbraw/zinc/58/33/17/1186583317.db2.gz ULKOSQOQBTXNMX-CQSZACIVSA-N 0 3 378.473 0.785 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CCn2c(C)c(C)sc2=O)CC1 ZINC000115369271 1186590023 /nfs/dbraw/zinc/59/00/23/1186590023.db2.gz OSTLNFBSGJTXFP-UHFFFAOYSA-N 0 3 382.530 0.929 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@H](C[NH2+]Cc2nc(=O)n(C)[n-]2)C1 ZINC001087217226 1186590091 /nfs/dbraw/zinc/59/00/91/1186590091.db2.gz VSCYYKSZKPDCCY-SYAUCNOPSA-N 0 3 387.488 0.362 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccnc(OCCO)c1)Cc1ccccc1 ZINC000657509942 1186594980 /nfs/dbraw/zinc/59/49/80/1186594980.db2.gz FCSJPTZHEOYQEN-QGZVFWFLSA-N 0 3 386.452 0.680 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCC(=O)N2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000582660278 1186601593 /nfs/dbraw/zinc/60/15/93/1186601593.db2.gz DEERJGFLJHWESC-NSHGMRRFSA-N 0 3 390.528 0.395 20 0 GCADHN NC(=O)Cn1cc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000152966547 1186604490 /nfs/dbraw/zinc/60/44/90/1186604490.db2.gz IIQJMMUVRFVVGY-HNNXBMFYSA-N 0 3 394.439 0.659 20 0 GCADHN CCNC(=O)N1CCc2ccc(NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc21 ZINC000582676982 1186607193 /nfs/dbraw/zinc/60/71/93/1186607193.db2.gz JMJBZVWKQCGHNU-HUUCEWRRSA-N 0 3 386.456 0.554 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)CCN2C1=O ZINC000563437633 1186612461 /nfs/dbraw/zinc/61/24/61/1186612461.db2.gz AYWQYQBHDCFMHW-JQWIXIFHSA-N 0 3 394.357 0.670 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cnn(-c4ccccn4)c3C(F)(F)F)CCN2C1=O ZINC000563437638 1186612724 /nfs/dbraw/zinc/61/27/24/1186612724.db2.gz AYWQYQBHDCFMHW-ZYHUDNBSSA-N 0 3 394.357 0.670 20 0 GCADHN COCCOC1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000116994556 1186616008 /nfs/dbraw/zinc/61/60/08/1186616008.db2.gz BJANJSGRYDCCAB-MRXNPFEDSA-N 0 3 377.441 0.992 20 0 GCADHN CCN(CC)C(=O)N1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000074654407 1186625965 /nfs/dbraw/zinc/62/59/65/1186625965.db2.gz WHMVGVMKMCDKQE-QGZVFWFLSA-N 0 3 382.553 0.659 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)CCN2C1=O ZINC000582736556 1186642609 /nfs/dbraw/zinc/64/26/09/1186642609.db2.gz AEZURDARTOULPT-ZJUUUORDSA-N 0 3 392.366 0.209 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccn3cc(C)nc3c2)CC1 ZINC000657578354 1186644722 /nfs/dbraw/zinc/64/47/22/1186644722.db2.gz RKEDHJDIVQHVGS-HNNXBMFYSA-N 0 3 386.500 0.971 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000657607288 1186662923 /nfs/dbraw/zinc/66/29/23/1186662923.db2.gz YKJIEVVKXDPVPB-DNDXXGFKSA-N 0 3 392.477 0.995 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000657613683 1186666119 /nfs/dbraw/zinc/66/61/19/1186666119.db2.gz YDKUQAFHFAVEPS-MRXNPFEDSA-N 0 3 388.468 0.480 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccnc(OCCO)c1 ZINC000657628017 1186674752 /nfs/dbraw/zinc/67/47/52/1186674752.db2.gz KHROAASHPUUSFD-UHFFFAOYSA-N 0 3 387.440 0.377 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)NCCN(C)c2ccccc2)CC1 ZINC000582799450 1186680791 /nfs/dbraw/zinc/68/07/91/1186680791.db2.gz PZNHRYAJIXBOJZ-UHFFFAOYSA-N 0 3 397.479 0.991 20 0 GCADHN CC(=O)Nc1ccc(OC[C@@H](O)CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1 ZINC000277913502 1186694595 /nfs/dbraw/zinc/69/45/95/1186694595.db2.gz XOMKLBLTDWTSFE-QRFRQXIXSA-N 0 3 388.468 0.826 20 0 GCADHN CCS(=O)(=O)NCc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000119899107 1186700630 /nfs/dbraw/zinc/70/06/30/1186700630.db2.gz ZHACHMZEYMSPKT-UHFFFAOYSA-N 0 3 396.557 0.835 20 0 GCADHN CCN(CCCO)C(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000582836173 1186707682 /nfs/dbraw/zinc/70/76/82/1186707682.db2.gz QACSLVHHMCUOQZ-LJQANCHMSA-N 0 3 390.528 0.712 20 0 GCADHN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611725767 1186709610 /nfs/dbraw/zinc/70/96/10/1186709610.db2.gz QCZJYCNGTCDECL-YYIAUSFCSA-N 0 3 377.485 0.430 20 0 GCADHN C[C@H](O)CN1CCN(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC1 ZINC000548777155 1186715978 /nfs/dbraw/zinc/71/59/78/1186715978.db2.gz ASZXVXYQFPFLTB-AZUAARDMSA-N 0 3 389.544 0.683 20 0 GCADHN Cc1nccnc1N1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000685045661 1186722580 /nfs/dbraw/zinc/72/25/80/1186722580.db2.gz JTNWELLXTMJVLL-UHFFFAOYSA-N 0 3 375.521 0.644 20 0 GCADHN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC(C)(C)CN3CCCC3)cnc21 ZINC000582886784 1186724007 /nfs/dbraw/zinc/72/40/07/1186724007.db2.gz MZUBHKLJAYOXBB-UHFFFAOYSA-N 0 3 381.458 0.187 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCc4c3cccc4C(F)(F)F)CCN2C1=O ZINC000582914744 1186728156 /nfs/dbraw/zinc/72/81/56/1186728156.db2.gz GCGPXZHYOOZVQU-GXFFZTMASA-N 0 3 396.369 0.365 20 0 GCADHN COCCCOc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000582915835 1186729774 /nfs/dbraw/zinc/72/97/74/1186729774.db2.gz PSCQHVCPWWQKIY-WBVHZDCISA-N 0 3 376.457 0.555 20 0 GCADHN COCCCOc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000582915832 1186729817 /nfs/dbraw/zinc/72/98/17/1186729817.db2.gz PSCQHVCPWWQKIY-NVXWUHKLSA-N 0 3 376.457 0.555 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCc1c[nH]c2ncccc12 ZINC000582925137 1186731621 /nfs/dbraw/zinc/73/16/21/1186731621.db2.gz YLRLBJAKFNNWFD-INIZCTEOSA-N 0 3 387.484 0.791 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H](CO)C2)CC1 ZINC000078887466 1186733125 /nfs/dbraw/zinc/73/31/25/1186733125.db2.gz KRQOOYXJRJXZPW-IBGZPJMESA-N 0 3 376.501 0.727 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000582932673 1186733604 /nfs/dbraw/zinc/73/36/04/1186733604.db2.gz NIWAMDDWPNODEJ-GOSISDBHSA-N 0 3 394.560 0.936 20 0 GCADHN Cc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1S(=O)(=O)NC1CCCC1 ZINC000582958989 1186737552 /nfs/dbraw/zinc/73/75/52/1186737552.db2.gz PIDFOYGFIZLFIB-INIZCTEOSA-N 0 3 381.498 0.934 20 0 GCADHN CCN1CCN([C@H]2CCN(c3nnc(-c4nnn(C)c4C)n3C3CC3)C2)CC1 ZINC000582969919 1186739070 /nfs/dbraw/zinc/73/90/70/1186739070.db2.gz FRSGFICWDJASGA-INIZCTEOSA-N 0 3 385.520 0.933 20 0 GCADHN CCC(CC)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N1CCOCC1 ZINC000152620267 1186739194 /nfs/dbraw/zinc/73/91/94/1186739194.db2.gz LIONOTYJLNZBJN-OALUTQOASA-N 0 3 394.560 0.888 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3(c4cccc(Cl)c4)CC3)CCN2C1=O ZINC000582976280 1186740133 /nfs/dbraw/zinc/74/01/33/1186740133.db2.gz OUBYPEBMNXLKRO-HUUCEWRRSA-N 0 3 390.871 0.258 20 0 GCADHN Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582976637 1186740180 /nfs/dbraw/zinc/74/01/80/1186740180.db2.gz RWFKCGXYAHAVMV-HUUCEWRRSA-N 0 3 396.451 0.104 20 0 GCADHN COc1ccc(CN(C)C(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000162211816 1186745046 /nfs/dbraw/zinc/74/50/46/1186745046.db2.gz BRORPHAFJKDBHM-IBGZPJMESA-N 0 3 388.512 0.892 20 0 GCADHN Cc1nccn1CCCNC(=O)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000583038307 1186754968 /nfs/dbraw/zinc/75/49/68/1186754968.db2.gz MJYYAWNCDXBVLR-UHFFFAOYSA-N 0 3 384.484 0.874 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)CNC(=O)COc2ccccc2)CC1 ZINC000122432878 1186756292 /nfs/dbraw/zinc/75/62/92/1186756292.db2.gz WRMLPRNQWZQQGV-QGZVFWFLSA-N 0 3 376.501 0.571 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCCCOC(F)F)C2)CC1 ZINC000583052360 1186758913 /nfs/dbraw/zinc/75/89/13/1186758913.db2.gz DXTJFCFJJFMEPE-AWEZNQCLSA-N 0 3 376.448 0.359 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000262226821 1186767836 /nfs/dbraw/zinc/76/78/36/1186767836.db2.gz VAXTZVXSFMTCDU-INIZCTEOSA-N 0 3 398.529 0.479 20 0 GCADHN NC[C@@H](NC(=O)NC[C@H]1CS(=O)(=O)CCO1)c1ccc2ccccc2c1 ZINC000561192360 1186775266 /nfs/dbraw/zinc/77/52/66/1186775266.db2.gz ROHCXPXAEOTYPU-DLBZAZTESA-N 0 3 377.466 0.952 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(C)CCN(C)CC1 ZINC000888983992 1186782611 /nfs/dbraw/zinc/78/26/11/1186782611.db2.gz YAYJXOQMCMFTPW-KRWDZBQOSA-N 0 3 378.521 0.189 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1CCS(=O)(=O)CC1 ZINC000535947208 1186785280 /nfs/dbraw/zinc/78/52/80/1186785280.db2.gz BEMXZULCHASNBM-OAHLLOKOSA-N 0 3 388.534 0.053 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000162609312 1186786941 /nfs/dbraw/zinc/78/69/41/1186786941.db2.gz XLEQBROTBCDQEX-HKUYNNGSSA-N 0 3 379.476 0.942 20 0 GCADHN NC(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OCC(F)F)c1 ZINC000583214938 1186799657 /nfs/dbraw/zinc/79/96/57/1186799657.db2.gz KKCKZHKCNSUHMB-WDEREUQCSA-N 0 3 397.382 0.205 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000278145479 1186800750 /nfs/dbraw/zinc/80/07/50/1186800750.db2.gz XAIGLRDRHJLSHX-ZDUSSCGKSA-N 0 3 379.848 0.439 20 0 GCADHN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000278146294 1186801848 /nfs/dbraw/zinc/80/18/48/1186801848.db2.gz AMKHDZGZORSSJQ-AWEZNQCLSA-N 0 3 397.545 0.325 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OC(F)F)nc2)CC1 ZINC000583275610 1186813390 /nfs/dbraw/zinc/81/33/90/1186813390.db2.gz NVFVFUNIIZPHAH-LBPRGKRZSA-N 0 3 385.415 0.764 20 0 GCADHN COc1c(F)cc(CC(=O)Nc2ccnn2CCN(C)C)cc1S(N)(=O)=O ZINC000583282842 1186816727 /nfs/dbraw/zinc/81/67/27/1186816727.db2.gz QTWRGQRILHFDBY-UHFFFAOYSA-N 0 3 399.448 0.421 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCCNC(=O)C(C)C ZINC000535991897 1186821416 /nfs/dbraw/zinc/82/14/16/1186821416.db2.gz GSNPFWDKESQKPW-UHFFFAOYSA-N 0 3 378.473 0.974 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cnn(C)c3C)[C@H]2C1 ZINC000583340615 1186830825 /nfs/dbraw/zinc/83/08/25/1186830825.db2.gz JJJOUSLVGOOBDW-RMRDIRSESA-N 0 3 389.500 0.570 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000685122554 1186831112 /nfs/dbraw/zinc/83/11/12/1186831112.db2.gz FJSFLCGFUFPYSU-GJZGRUSLSA-N 0 3 387.484 0.460 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)CC1=O ZINC000583337707 1186831928 /nfs/dbraw/zinc/83/19/28/1186831928.db2.gz FKIVMJJRSCQWIJ-CQSZACIVSA-N 0 3 390.484 0.751 20 0 GCADHN CC(C)NS(=O)(=O)c1cccnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000278230535 1186841119 /nfs/dbraw/zinc/84/11/19/1186841119.db2.gz SQNUKCWVARXCCV-OAHLLOKOSA-N 0 3 395.529 0.511 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CCN2C1=O ZINC000583392441 1186843230 /nfs/dbraw/zinc/84/32/30/1186843230.db2.gz GQVHUYWBBIQRQJ-HYVNUMGLSA-N 0 3 388.443 0.448 20 0 GCADHN COCCN1CCC(NC(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)CC1 ZINC000892335121 1186844178 /nfs/dbraw/zinc/84/41/78/1186844178.db2.gz PMSZCKXPLZPZAJ-AWEZNQCLSA-N 0 3 379.461 0.915 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000278237697 1186844251 /nfs/dbraw/zinc/84/42/51/1186844251.db2.gz YZHVGBNOJZORPX-UHFFFAOYSA-N 0 3 381.864 0.686 20 0 GCADHN CCCNC(=O)CNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000049014268 1186855880 /nfs/dbraw/zinc/85/58/80/1186855880.db2.gz RZDLTQFKIWUPLD-UHFFFAOYSA-N 0 3 389.500 0.405 20 0 GCADHN Cn1cc(-c2csc(NC(=O)C(=O)NC[C@H]3CCCN3CCCO)n2)cn1 ZINC000583445368 1186856731 /nfs/dbraw/zinc/85/67/31/1186856731.db2.gz JLXJVJITGRNPNY-CYBMUJFWSA-N 0 3 392.485 0.445 20 0 GCADHN CC(C)CCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000583452314 1186857772 /nfs/dbraw/zinc/85/77/72/1186857772.db2.gz BODDVMNKRQZZCS-NVXWUHKLSA-N 0 3 388.468 0.820 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)CC[C@H](C)O)cc2)CC1 ZINC000127455090 1186865760 /nfs/dbraw/zinc/86/57/60/1186865760.db2.gz MVHWCKONMJHROJ-INIZCTEOSA-N 0 3 376.501 0.992 20 0 GCADHN COCCO[C@H]1C[C@@H](CO)CN(CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000278282595 1186871425 /nfs/dbraw/zinc/87/14/25/1186871425.db2.gz KEPBLMKFJJKEFM-OLZOCXBDSA-N 0 3 385.486 0.521 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000278282594 1186871570 /nfs/dbraw/zinc/87/15/70/1186871570.db2.gz KEPBLMKFJJKEFM-CHWSQXEVSA-N 0 3 385.486 0.521 20 0 GCADHN O=C(C(=O)N1CCN2CCOC[C@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000583496236 1186871765 /nfs/dbraw/zinc/87/17/65/1186871765.db2.gz SZAIWHYHCAFRHJ-XUVXKRRUSA-N 0 3 398.507 0.262 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000413527824 1186879351 /nfs/dbraw/zinc/87/93/51/1186879351.db2.gz BXDNCSJFNVGOQC-MRXNPFEDSA-N 0 3 385.516 0.651 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1c2c(nn1C)CCCC2 ZINC000635044131 1186882830 /nfs/dbraw/zinc/88/28/30/1186882830.db2.gz VFGRWSQWVQBWJO-AWEZNQCLSA-N 0 3 377.489 0.807 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnc(C(C)(C)C)nc2)CC1=O ZINC000583561102 1186886684 /nfs/dbraw/zinc/88/66/84/1186886684.db2.gz ZSGKQRPRPCCKIJ-HNNXBMFYSA-N 0 3 377.489 0.683 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000375740433 1186891433 /nfs/dbraw/zinc/89/14/33/1186891433.db2.gz BSBNTDKSKYGHAC-ARFHVFGLSA-N 0 3 386.518 0.059 20 0 GCADHN CN1CCN(CCNC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)CC1(C)C ZINC000583611735 1186900631 /nfs/dbraw/zinc/90/06/31/1186900631.db2.gz MRNWYGRRRSRHCY-NRFANRHFSA-N 0 3 387.528 0.851 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccsc2)C1=O ZINC000458618205 1186904922 /nfs/dbraw/zinc/90/49/22/1186904922.db2.gz RIIBMIDTNXQZLD-HNNXBMFYSA-N 0 3 396.513 0.985 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000278355821 1186907333 /nfs/dbraw/zinc/90/73/33/1186907333.db2.gz IKAKJABASKDHHP-OAHLLOKOSA-N 0 3 385.468 0.893 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)CC[C@@H]1CCCO1 ZINC000467133479 1186909624 /nfs/dbraw/zinc/90/96/24/1186909624.db2.gz JMBCYYBLJMDFTP-HOCLYGCPSA-N 0 3 383.514 0.882 20 0 GCADHN CCN1CCN([C@H]2CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000246359380 1186918153 /nfs/dbraw/zinc/91/81/53/1186918153.db2.gz NDAJNAGIJBCTNF-OLZOCXBDSA-N 0 3 379.427 0.475 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4cc(F)cc(F)c4)C3)CCN2C1=O ZINC000583705380 1186923939 /nfs/dbraw/zinc/92/39/39/1186923939.db2.gz WSENYWXMWVBIME-VCOSZWKGSA-N 0 3 392.406 0.097 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000278386852 1186925943 /nfs/dbraw/zinc/92/59/43/1186925943.db2.gz UYFMSOSYXUAHCS-BRWVUGGUSA-N 0 3 399.484 0.789 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000246551037 1186927676 /nfs/dbraw/zinc/92/76/76/1186927676.db2.gz CTBWQTQKIGDUGV-STQMWFEESA-N 0 3 380.411 0.807 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCCN1CC(F)(F)F ZINC000926524173 1186929290 /nfs/dbraw/zinc/92/92/90/1186929290.db2.gz BVXYVTNSAXHWBS-ZDUSSCGKSA-N 0 3 381.443 0.675 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CCO[C@H](C(=O)OC)C3)cc2)CC1 ZINC000728575039 1186929799 /nfs/dbraw/zinc/92/97/99/1186929799.db2.gz MLZIGXTVUDEFMB-SFHVURJKSA-N 0 3 390.484 0.641 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000278400136 1186930948 /nfs/dbraw/zinc/93/09/48/1186930948.db2.gz WHSCMBFPBMYCFB-SXLOBPIMSA-N 0 3 393.528 0.751 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000278400130 1186931122 /nfs/dbraw/zinc/93/11/22/1186931122.db2.gz WHSCMBFPBMYCFB-RLLQIKCJSA-N 0 3 393.528 0.751 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)o1 ZINC000728575894 1186936211 /nfs/dbraw/zinc/93/62/11/1186936211.db2.gz MGXFZHQXNCXDLT-UHFFFAOYSA-N 0 3 384.502 0.270 20 0 GCADHN COc1ccc(OC)c([C@H](O)CN2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000728577362 1186936855 /nfs/dbraw/zinc/93/68/55/1186936855.db2.gz ZMVFGUUIUFBOFL-GOSISDBHSA-N 0 3 377.485 0.977 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000583780631 1186938551 /nfs/dbraw/zinc/93/85/51/1186938551.db2.gz VVOZOLIFNFHDPU-HNNXBMFYSA-N 0 3 380.533 0.940 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N1C(=O)c2ccccc2C1=O ZINC000583824149 1186946025 /nfs/dbraw/zinc/94/60/25/1186946025.db2.gz UZOILPDFZPHIIH-UHOFOFEASA-N 0 3 384.436 0.078 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000583840309 1186949328 /nfs/dbraw/zinc/94/93/28/1186949328.db2.gz ROQUEJSZHRLOAP-MRXNPFEDSA-N 0 3 381.517 0.879 20 0 GCADHN Cc1nnnn1-c1ccc(F)c(NC(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000131247967 1186954831 /nfs/dbraw/zinc/95/48/31/1186954831.db2.gz CTFKWWWLQGYYQP-GXTWGEPZSA-N 0 3 375.408 0.682 20 0 GCADHN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CCC[C@H](n3cc(CN)nn3)C1)CO2 ZINC000583921857 1186962426 /nfs/dbraw/zinc/96/24/26/1186962426.db2.gz DGYJNOIWWIKEAW-HOCLYGCPSA-N 0 3 384.440 0.459 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000583949130 1186967314 /nfs/dbraw/zinc/96/73/14/1186967314.db2.gz NAFPEXSAVUAIPO-HOCLYGCPSA-N 0 3 377.489 0.483 20 0 GCADHN Cc1nc(-c2ccn(C)n2)sc1CC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000892363421 1186969169 /nfs/dbraw/zinc/96/91/69/1186969169.db2.gz RILCIFVFSRUIEZ-UHFFFAOYSA-N 0 3 390.513 0.627 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000278538499 1186972715 /nfs/dbraw/zinc/97/27/15/1186972715.db2.gz CHOPVNHECFOJII-OAHLLOKOSA-N 0 3 390.484 0.945 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2ccccc2Cn2cncn2)CC1 ZINC000511246904 1186981927 /nfs/dbraw/zinc/98/19/27/1186981927.db2.gz IBCIAPWOSPULEE-KRWDZBQOSA-N 0 3 393.513 0.698 20 0 GCADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)C[C@@H](C)O2 ZINC000584039274 1186987967 /nfs/dbraw/zinc/98/79/67/1186987967.db2.gz YRRVCEIXWHUZNJ-WWNBULGVSA-N 0 3 379.501 0.868 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC(OC[C@H]3CCOC3)CC2)C1 ZINC000584067477 1186992764 /nfs/dbraw/zinc/99/27/64/1186992764.db2.gz SDTAPRBVSNEKDX-IRXDYDNUSA-N 0 3 381.517 0.879 20 0 GCADHN CC1=CCN(CCNC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000548817225 1186993860 /nfs/dbraw/zinc/99/38/60/1186993860.db2.gz ZXIWHQJNZCZOOV-IBGZPJMESA-N 0 3 391.560 0.382 20 0 GCADHN CC[C@@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1CCOCC1 ZINC000584118066 1187001726 /nfs/dbraw/zinc/00/17/26/1187001726.db2.gz GKQCCZGTWILOOV-IAGOWNOFSA-N 0 3 396.532 0.367 20 0 GCADHN CC[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1c(C)noc1C ZINC000584140010 1187004613 /nfs/dbraw/zinc/00/46/13/1187004613.db2.gz MZELXKRUEOJVPT-INIZCTEOSA-N 0 3 379.505 0.955 20 0 GCADHN COC(=O)C[C@H]1C(=O)NCCN1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000278653888 1187008089 /nfs/dbraw/zinc/00/80/89/1187008089.db2.gz PYQOLUIFINJDMN-ROUUACIJSA-N 0 3 375.469 0.641 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccn(C(C)C)n2)CC1 ZINC000584163581 1187008124 /nfs/dbraw/zinc/00/81/24/1187008124.db2.gz PDMMRNNLEVACES-MRXNPFEDSA-N 0 3 378.521 0.470 20 0 GCADHN C[C@H](O)CN1CCN(c2cnc(N3CCN(C[C@H](C)O)C[C@@H]3C)cn2)[C@@H](C)C1 ZINC000685273061 1187008612 /nfs/dbraw/zinc/00/86/12/1187008612.db2.gz FKUHFMQIWONCJQ-XSLAGTTESA-N 0 3 392.548 0.259 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCN(c4ccccc4F)C3)CCN2C1=O ZINC000584184373 1187012051 /nfs/dbraw/zinc/01/20/51/1187012051.db2.gz ZYBVTWIICXNOFU-IIAWOOMASA-N 0 3 375.448 0.605 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCN(c4ccccc4F)C3)CCN2C1=O ZINC000584184375 1187012254 /nfs/dbraw/zinc/01/22/54/1187012254.db2.gz ZYBVTWIICXNOFU-OFQRWUPVSA-N 0 3 375.448 0.605 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)CN1C1CC1 ZINC000685277346 1187019767 /nfs/dbraw/zinc/01/97/67/1187019767.db2.gz GPSLNLZKSYFYRJ-ARFHVFGLSA-N 0 3 378.517 0.440 20 0 GCADHN Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CC2 ZINC000127509010 1187021895 /nfs/dbraw/zinc/02/18/95/1187021895.db2.gz CRPBLQDQFHKZLM-KRWDZBQOSA-N 0 3 384.480 0.649 20 0 GCADHN Cc1nc2n(n1)CCN(C(=O)C(=O)NC1CCN([C@H](C)c3ccncc3)CC1)C2 ZINC000584256249 1187023469 /nfs/dbraw/zinc/02/34/69/1187023469.db2.gz PPHIMPQNQPEHMN-CQSZACIVSA-N 0 3 397.483 0.666 20 0 GCADHN C[C@@H](O)CN(C(=O)C(=O)NCCN1CCC2(CCCCC2)CC1)[C@@H](C)CO ZINC000584283675 1187025774 /nfs/dbraw/zinc/02/57/74/1187025774.db2.gz UZHSAWXSUIVAMK-DLBZAZTESA-N 0 3 383.533 0.739 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)CCC1CCOCC1 ZINC000584342379 1187035062 /nfs/dbraw/zinc/03/50/62/1187035062.db2.gz IRIKIEOXKOMSML-KRWDZBQOSA-N 0 3 396.532 0.320 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000584377641 1187043817 /nfs/dbraw/zinc/04/38/17/1187043817.db2.gz YRCBNEJLPKEXGI-KSZLIROESA-N 0 3 392.544 0.546 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC000611837923 1187046371 /nfs/dbraw/zinc/04/63/71/1187046371.db2.gz LWYARFLFCVNQNH-MRXNPFEDSA-N 0 3 386.496 0.978 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000611838518 1187046681 /nfs/dbraw/zinc/04/66/81/1187046681.db2.gz LCQMETISEFRZPK-SFHVURJKSA-N 0 3 394.560 0.794 20 0 GCADHN CN(C)[C@@H](CNC(=O)N(C)C[C@@H](O)CN1CCOCC1)Cc1ccccc1 ZINC000083694296 1187051550 /nfs/dbraw/zinc/05/15/50/1187051550.db2.gz UXADPXNPGQIYPU-RTBURBONSA-N 0 3 378.517 0.494 20 0 GCADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000083694591 1187051934 /nfs/dbraw/zinc/05/19/34/1187051934.db2.gz SZQZNKSTQTWRHC-RTBURBONSA-N 0 3 376.501 0.595 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000584427866 1187059032 /nfs/dbraw/zinc/05/90/32/1187059032.db2.gz SSRAECYCFHPRBT-STQMWFEESA-N 0 3 383.411 0.111 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000685306297 1187062680 /nfs/dbraw/zinc/06/26/80/1187062680.db2.gz AUNIYSMRYYUITI-RYRKJORJSA-N 0 3 378.517 0.156 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)[C@@H]2C1 ZINC000972638277 1187069144 /nfs/dbraw/zinc/06/91/44/1187069144.db2.gz JDVWPFZSPYEZAE-LVQVYYBASA-N 0 3 376.501 0.254 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@@H](C)n2cnc3c2ncnc3N)CC1 ZINC000611866961 1187069481 /nfs/dbraw/zinc/06/94/81/1187069481.db2.gz UOVWYWUPZLYXFT-CYBMUJFWSA-N 0 3 375.477 0.975 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@H](C)n2cnc3c2ncnc3N)CC1 ZINC000611866970 1187069956 /nfs/dbraw/zinc/06/99/56/1187069956.db2.gz UOVWYWUPZLYXFT-ZDUSSCGKSA-N 0 3 375.477 0.975 20 0 GCADHN COCCN1CCC(NC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000140412019 1187078123 /nfs/dbraw/zinc/07/81/23/1187078123.db2.gz VMGICKDRVDZZCH-INIZCTEOSA-N 0 3 390.550 0.601 20 0 GCADHN COCCN1CCC(NC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000140407528 1187078636 /nfs/dbraw/zinc/07/86/36/1187078636.db2.gz DCKPTYFGIIPCDD-UHFFFAOYSA-N 0 3 380.493 0.181 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c1 ZINC000685339134 1187102908 /nfs/dbraw/zinc/10/29/08/1187102908.db2.gz DOEWPUDUGDEWPA-PKOBYXMFSA-N 0 3 390.528 0.721 20 0 GCADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@H]1CN(C)CCO1 ZINC000685344483 1187110160 /nfs/dbraw/zinc/11/01/60/1187110160.db2.gz XLNMNEYCEYXDGS-MAUKXSAKSA-N 0 3 394.491 0.551 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000685407401 1187124775 /nfs/dbraw/zinc/12/47/75/1187124775.db2.gz KQWWHHVIXABQCV-BBWFWOEESA-N 0 3 378.517 0.156 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000685444716 1187129433 /nfs/dbraw/zinc/12/94/33/1187129433.db2.gz ZBTAAQXVSFDDDG-AWEZNQCLSA-N 0 3 379.505 0.405 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1)C1=CCN(C)CC1 ZINC000685444358 1187129494 /nfs/dbraw/zinc/12/94/94/1187129494.db2.gz VXOTYVBKTXODJB-CQSZACIVSA-N 0 3 393.509 0.815 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccnn1C ZINC000685480447 1187133372 /nfs/dbraw/zinc/13/33/72/1187133372.db2.gz PLOWPWCRDGAMNL-DLBZAZTESA-N 0 3 393.532 0.845 20 0 GCADHN O=C(NCC1(N2CCOCC2)CC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000685511711 1187138578 /nfs/dbraw/zinc/13/85/78/1187138578.db2.gz QEXXHXDZABUVMW-KRWDZBQOSA-N 0 3 378.517 0.444 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000685519997 1187141900 /nfs/dbraw/zinc/14/19/00/1187141900.db2.gz BCXNXZBOIIFRQJ-IAGOWNOFSA-N 0 3 380.533 0.404 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C)NS(C)(=O)=O)CC2)c1 ZINC000141661476 1187147463 /nfs/dbraw/zinc/14/74/63/1187147463.db2.gz PGNRBEGWYNHQFS-KRWDZBQOSA-N 0 3 396.557 0.951 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1F ZINC000141780371 1187148207 /nfs/dbraw/zinc/14/82/07/1187148207.db2.gz YLFZHRASBGFDKG-UHFFFAOYSA-N 0 3 396.463 0.543 20 0 GCADHN COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000511301918 1187148904 /nfs/dbraw/zinc/14/89/04/1187148904.db2.gz BVPZIVRZUZBVRN-DOTOQJQBSA-N 0 3 396.484 0.975 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000152760114 1187153040 /nfs/dbraw/zinc/15/30/40/1187153040.db2.gz PRGHOVAVKGBUAD-WBVHZDCISA-N 0 3 376.501 0.543 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1O)N1CCCCC1 ZINC001023843203 1187158554 /nfs/dbraw/zinc/15/85/54/1187158554.db2.gz FWZXETNUWLWTKT-MUIFIZLQSA-N 0 3 389.500 0.466 20 0 GCADHN COCCN1CCC(NC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000143749236 1187169007 /nfs/dbraw/zinc/16/90/07/1187169007.db2.gz ZYRHWMUZWQMICF-UHFFFAOYSA-N 0 3 392.456 0.822 20 0 GCADHN O=C(NCc1ccccc1CN1CCC(O)CC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000287549362 1187193533 /nfs/dbraw/zinc/19/35/33/1187193533.db2.gz TUOPMNOHPNLDAN-QRVBRYPASA-N 0 3 387.480 0.696 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000611980782 1187209444 /nfs/dbraw/zinc/20/94/44/1187209444.db2.gz YMLOOXTZKIWVCW-GDBMZVCRSA-N 0 3 376.432 0.648 20 0 GCADHN CN(CC(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]21)C1CCC1 ZINC000972738585 1187209647 /nfs/dbraw/zinc/20/96/47/1187209647.db2.gz BSEIPCZXORTVDR-JYYAWHABSA-N 0 3 376.501 0.432 20 0 GCADHN Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000548856064 1187225508 /nfs/dbraw/zinc/22/55/08/1187225508.db2.gz BISJWDCZIFEBMQ-AWEZNQCLSA-N 0 3 390.513 0.965 20 0 GCADHN C[C@@H](C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1)n1cnc2c1ncnc2N ZINC000612057862 1187244540 /nfs/dbraw/zinc/24/45/40/1187244540.db2.gz TYCCHFASQCXCIK-MJBXVCDLSA-N 0 3 375.477 0.975 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)CCn2cnc3c2ncnc3N)C[C@H](C)O1 ZINC000612055288 1187244673 /nfs/dbraw/zinc/24/46/73/1187244673.db2.gz FCRKUNQSCOQBRS-KBPBESRZSA-N 0 3 375.477 0.804 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000658261192 1187261820 /nfs/dbraw/zinc/26/18/20/1187261820.db2.gz GKZIQKYQNKZNLJ-AWEZNQCLSA-N 0 3 375.473 0.846 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)NC)cc2)CC1 ZINC000785207796 1187264056 /nfs/dbraw/zinc/26/40/56/1187264056.db2.gz FAQATQSKUNQRCO-HNNXBMFYSA-N 0 3 389.500 0.608 20 0 GCADHN CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000647388245 1187266750 /nfs/dbraw/zinc/26/67/50/1187266750.db2.gz HZDXAGKDHXVEPL-BZUAXINKSA-N 0 3 376.505 0.933 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCN1C[C@@H](C)OC[C@H]1C ZINC000658424706 1187295031 /nfs/dbraw/zinc/29/50/31/1187295031.db2.gz PRQHERGVVHVKLA-HUUCEWRRSA-N 0 3 392.500 0.921 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000658474318 1187314382 /nfs/dbraw/zinc/31/43/82/1187314382.db2.gz CUJGKWPBDVLYIX-MRXNPFEDSA-N 0 3 381.448 0.590 20 0 GCADHN COc1nccc(NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)n1 ZINC000658481196 1187316261 /nfs/dbraw/zinc/31/62/61/1187316261.db2.gz HPXZICRHDARJEO-UHFFFAOYSA-N 0 3 384.440 0.847 20 0 GCADHN O=C(C(=O)N1CCN([C@@H]2CCOC2)CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000658505414 1187319346 /nfs/dbraw/zinc/31/93/46/1187319346.db2.gz CCCLLCXNQBZRPB-QZTJIDSGSA-N 0 3 378.517 0.396 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCc2nc(C(N)=O)cs2)o1 ZINC000658504165 1187319860 /nfs/dbraw/zinc/31/98/60/1187319860.db2.gz LGJRJXNRFJYSKT-UHFFFAOYSA-N 0 3 393.469 0.350 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCCc2ccco2)CC1 ZINC000658537033 1187330949 /nfs/dbraw/zinc/33/09/49/1187330949.db2.gz SSRZAUWLYLYVMY-UHFFFAOYSA-N 0 3 378.473 0.341 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000658544749 1187337593 /nfs/dbraw/zinc/33/75/93/1187337593.db2.gz NETWFZOJIHSTGB-CABCVRRESA-N 0 3 388.468 0.822 20 0 GCADHN CO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCC1 ZINC000658537455 1187337896 /nfs/dbraw/zinc/33/78/96/1187337896.db2.gz WUIZSMLPSMZHRZ-KRWDZBQOSA-N 0 3 394.516 0.074 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000685717241 1187348228 /nfs/dbraw/zinc/34/82/28/1187348228.db2.gz XUQGDYFUMJTXIU-SQNIBIBYSA-N 0 3 391.516 0.541 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000658605934 1187379127 /nfs/dbraw/zinc/37/91/27/1187379127.db2.gz ICQPKDUXAHYOQZ-MRXNPFEDSA-N 0 3 378.473 0.103 20 0 GCADHN CCO[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000658617678 1187384279 /nfs/dbraw/zinc/38/42/79/1187384279.db2.gz KJFLDOSXPVFJLG-MRXNPFEDSA-N 0 3 382.505 0.027 20 0 GCADHN CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000658655163 1187397139 /nfs/dbraw/zinc/39/71/39/1187397139.db2.gz DWXZWHMOUZUCQE-UHFFFAOYSA-N 0 3 377.489 0.719 20 0 GCADHN C[C@H]1c2nncn2CCN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612221129 1187408847 /nfs/dbraw/zinc/40/88/47/1187408847.db2.gz OQQPFNHUYFHINV-HNNXBMFYSA-N 0 3 397.483 0.605 20 0 GCADHN Cc1cc(C)cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000658677705 1187409324 /nfs/dbraw/zinc/40/93/24/1187409324.db2.gz TUBRWNAJWOTBDG-GOSISDBHSA-N 0 3 386.496 0.685 20 0 GCADHN CN(Cc1nccn1C)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612224533 1187411970 /nfs/dbraw/zinc/41/19/70/1187411970.db2.gz SDFYTONPPWXCPK-UHFFFAOYSA-N 0 3 384.484 0.802 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000658698469 1187415910 /nfs/dbraw/zinc/41/59/10/1187415910.db2.gz AKUFOTSKBSSGOV-UHFFFAOYSA-N 0 3 375.454 0.867 20 0 GCADHN C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000658716103 1187425412 /nfs/dbraw/zinc/42/54/12/1187425412.db2.gz AGQXWAYZDTYJSV-GOSISDBHSA-N 0 3 390.528 0.492 20 0 GCADHN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000636036185 1187430755 /nfs/dbraw/zinc/43/07/55/1187430755.db2.gz YLRGYQPWJSOBFD-LSDHHAIUSA-N 0 3 389.500 0.831 20 0 GCADHN O=C(CCN1CCN([C@H]2CCC[C@H]2O)CC1)N1CCN(c2ncccn2)CC1 ZINC000375816124 1187440107 /nfs/dbraw/zinc/44/01/07/1187440107.db2.gz RPIOOJNVKSVXKE-ZWKOTPCHSA-N 0 3 388.516 0.046 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000588982856 1187455468 /nfs/dbraw/zinc/45/54/68/1187455468.db2.gz XRKVQPKFOXAFGV-UHFFFAOYSA-N 0 3 392.500 0.863 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(-n3nnnc3SC)c2)C1 ZINC000658776953 1187457470 /nfs/dbraw/zinc/45/74/70/1187457470.db2.gz DEDFSARBYOWDPQ-CYBMUJFWSA-N 0 3 389.485 0.923 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC000658777735 1187457497 /nfs/dbraw/zinc/45/74/97/1187457497.db2.gz IIRQMDPTXOLFPF-HNNXBMFYSA-N 0 3 396.513 0.912 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000658777878 1187458280 /nfs/dbraw/zinc/45/82/80/1187458280.db2.gz WGTNCOLFOLCGPQ-AWEZNQCLSA-N 0 3 382.486 0.476 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C1 ZINC000658778122 1187458359 /nfs/dbraw/zinc/45/83/59/1187458359.db2.gz KQVMRFAZZGIPGJ-CQSZACIVSA-N 0 3 376.457 0.936 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C1 ZINC000658779920 1187459028 /nfs/dbraw/zinc/45/90/28/1187459028.db2.gz UDAVTIGTABLQHF-ZDUSSCGKSA-N 0 3 382.486 0.621 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000658779427 1187460334 /nfs/dbraw/zinc/46/03/34/1187460334.db2.gz RIIYPDIKUVKZNH-HNNXBMFYSA-N 0 3 394.497 0.666 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000658779062 1187460411 /nfs/dbraw/zinc/46/04/11/1187460411.db2.gz RRKCMDGANMFNAT-ZDUSSCGKSA-N 0 3 394.497 0.548 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)C1 ZINC000658779076 1187460437 /nfs/dbraw/zinc/46/04/37/1187460437.db2.gz NQHFQPSKDDOBIG-ZDUSSCGKSA-N 0 3 375.408 0.649 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)C1 ZINC000658779265 1187460539 /nfs/dbraw/zinc/46/05/39/1187460539.db2.gz SYTSAQWAKSJINE-OAHLLOKOSA-N 0 3 398.467 0.819 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000658778927 1187460565 /nfs/dbraw/zinc/46/05/65/1187460565.db2.gz OLYBHOLTHRILAA-HNNXBMFYSA-N 0 3 394.497 0.766 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000658780682 1187461407 /nfs/dbraw/zinc/46/14/07/1187461407.db2.gz XUEYXOUIXODHIY-KRWDZBQOSA-N 0 3 388.468 0.698 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC000375879042 1187465326 /nfs/dbraw/zinc/46/53/26/1187465326.db2.gz XKPJMLSTETXSFW-KRWDZBQOSA-N 0 3 394.541 0.835 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)C1 ZINC000658784804 1187466897 /nfs/dbraw/zinc/46/68/97/1187466897.db2.gz SGXXHWDZTLLXCW-AWEZNQCLSA-N 0 3 396.513 0.784 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)C1 ZINC000658784805 1187467197 /nfs/dbraw/zinc/46/71/97/1187467197.db2.gz SGXXHWDZTLLXCW-CQSZACIVSA-N 0 3 396.513 0.784 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cncc(OCC(F)(F)F)n2)C1 ZINC000658786073 1187470269 /nfs/dbraw/zinc/47/02/69/1187470269.db2.gz YILIIZAQSSDBIW-JTQLQIEISA-N 0 3 375.351 0.957 20 0 GCADHN Nc1ncnc2c1ncn2CCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000612413451 1187483729 /nfs/dbraw/zinc/48/37/29/1187483729.db2.gz ANKWDOLPAOWMBW-MRXNPFEDSA-N 0 3 395.467 0.334 20 0 GCADHN COCc1csc(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000612415219 1187484099 /nfs/dbraw/zinc/48/40/99/1187484099.db2.gz WOUOWEIVSXUWKK-OAHLLOKOSA-N 0 3 381.498 0.880 20 0 GCADHN Cn1cc(CCN2CCCC[C@@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cn1 ZINC001024573162 1187489043 /nfs/dbraw/zinc/48/90/43/1187489043.db2.gz HHMQPMUCFVPQER-ZSYWTGECSA-N 0 3 376.501 0.985 20 0 GCADHN Cn1nccc1CCN1CCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001024573167 1187489499 /nfs/dbraw/zinc/48/94/99/1187489499.db2.gz HIEFQNJGFLTKEX-DSLXNQLJSA-N 0 3 376.501 0.985 20 0 GCADHN COC1CCN(CCNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CC(C)C)CC1 ZINC000685776403 1187499965 /nfs/dbraw/zinc/49/99/65/1187499965.db2.gz GOXSPAFLNPFTJH-KRWDZBQOSA-N 0 3 379.505 0.710 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000612481674 1187503956 /nfs/dbraw/zinc/50/39/56/1187503956.db2.gz DQMFIFXTZAOORW-KRWDZBQOSA-N 0 3 381.517 0.879 20 0 GCADHN Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000612482059 1187504013 /nfs/dbraw/zinc/50/40/13/1187504013.db2.gz JKFCAOIEKWSBSZ-MRXNPFEDSA-N 0 3 388.516 0.670 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000612481464 1187504058 /nfs/dbraw/zinc/50/40/58/1187504058.db2.gz BHENYIMDTRBWRU-IAGOWNOFSA-N 0 3 382.549 0.527 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000612483190 1187504845 /nfs/dbraw/zinc/50/48/45/1187504845.db2.gz XJOHXKNTEBJLOW-NJAFHUGGSA-N 0 3 391.516 0.191 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000612483215 1187504990 /nfs/dbraw/zinc/50/49/90/1187504990.db2.gz XYGULTMCGCFCET-QGZVFWFLSA-N 0 3 382.549 0.792 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000612484951 1187505232 /nfs/dbraw/zinc/50/52/32/1187505232.db2.gz JQUZXDRCORLPEF-IAGOWNOFSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000612484952 1187505377 /nfs/dbraw/zinc/50/53/77/1187505377.db2.gz JQUZXDRCORLPEF-IRXDYDNUSA-N 0 3 378.517 0.836 20 0 GCADHN NS(=O)(=O)c1cccc2c1ccnc2C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413794953 1187512914 /nfs/dbraw/zinc/51/29/14/1187512914.db2.gz ARBHLOVYRZAMSC-ZDUSSCGKSA-N 0 3 392.481 0.459 20 0 GCADHN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000658800991 1187514469 /nfs/dbraw/zinc/51/44/69/1187514469.db2.gz DWPBRSOLFOWBKI-KRWDZBQOSA-N 0 3 384.440 0.575 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CC1 ZINC000612524356 1187514743 /nfs/dbraw/zinc/51/47/43/1187514743.db2.gz VDCLROQCWAFGLT-FGTMMUONSA-N 0 3 390.528 0.933 20 0 GCADHN CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CCN1CCO ZINC000658803739 1187516519 /nfs/dbraw/zinc/51/65/19/1187516519.db2.gz RFQXTKOVUCQIPA-KRWDZBQOSA-N 0 3 380.533 0.378 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N(CCOC)Cc2c(C)nn(C)c2C)C1 ZINC000612541003 1187518810 /nfs/dbraw/zinc/51/88/10/1187518810.db2.gz BKKYIZLWFGMJAL-INIZCTEOSA-N 0 3 379.505 0.612 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 ZINC000612550237 1187520612 /nfs/dbraw/zinc/52/06/12/1187520612.db2.gz CWLNLUOZLLGIAO-CYBMUJFWSA-N 0 3 394.501 0.316 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000612550567 1187520708 /nfs/dbraw/zinc/52/07/08/1187520708.db2.gz HXNIAVCYPRRDOR-KRWDZBQOSA-N 0 3 378.517 0.838 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N(C)C[C@H](O)COCc2ccccc2)C1 ZINC000612548719 1187521018 /nfs/dbraw/zinc/52/10/18/1187521018.db2.gz QOZAATPFIAKIBT-ROUUACIJSA-N 0 3 377.485 0.623 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 ZINC000612550238 1187521120 /nfs/dbraw/zinc/52/11/20/1187521120.db2.gz CWLNLUOZLLGIAO-ZDUSSCGKSA-N 0 3 394.501 0.316 20 0 GCADHN O=C(Nc1ccccc1-n1ccnn1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000658803924 1187521592 /nfs/dbraw/zinc/52/15/92/1187521592.db2.gz SWMCHKCRYVQQFU-OAHLLOKOSA-N 0 3 384.440 0.575 20 0 GCADHN O=C(C(=O)N1CCOC2(CCOCC2)C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000658803912 1187521980 /nfs/dbraw/zinc/52/19/80/1187521980.db2.gz ZPNOXZPJUPOFEH-QGZVFWFLSA-N 0 3 379.501 0.871 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN([C@H](C)c3nccs3)CC2)C1 ZINC000612545819 1187522101 /nfs/dbraw/zinc/52/21/01/1187522101.db2.gz NFHMLCRDACYMFE-CABCVRRESA-N 0 3 379.530 0.949 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN([C@@H](C)c3nccs3)CC2)C1 ZINC000612545822 1187522278 /nfs/dbraw/zinc/52/22/78/1187522278.db2.gz NFHMLCRDACYMFE-LSDHHAIUSA-N 0 3 379.530 0.949 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000588988979 1187522680 /nfs/dbraw/zinc/52/26/80/1187522680.db2.gz HGBGRSVOAAIGRF-AWEZNQCLSA-N 0 3 386.456 0.817 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCCN(c3nc(C)ns3)CC2)C1 ZINC000612548110 1187523142 /nfs/dbraw/zinc/52/31/42/1187523142.db2.gz KQQMRFCPOMSBKR-CQSZACIVSA-N 0 3 380.518 0.486 20 0 GCADHN C[C@H](C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)N1C(=O)CCC1=O ZINC000612567903 1187528772 /nfs/dbraw/zinc/52/87/72/1187528772.db2.gz QRKQVPWPFYRAIW-CYBMUJFWSA-N 0 3 386.452 0.860 20 0 GCADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413820407 1187530278 /nfs/dbraw/zinc/53/02/78/1187530278.db2.gz QPGOPGPWNQUZRM-DOTOQJQBSA-N 0 3 387.488 0.238 20 0 GCADHN CCN1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)C1 ZINC000413819921 1187530529 /nfs/dbraw/zinc/53/05/29/1187530529.db2.gz RUCBYFOTNRENPM-INIZCTEOSA-N 0 3 387.550 0.529 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000375995506 1187532467 /nfs/dbraw/zinc/53/24/67/1187532467.db2.gz RJQYYYBXAJXMDR-SJORKVTESA-N 0 3 382.530 0.419 20 0 GCADHN CN(CCNC(=O)C(=O)N1CCN(CC2CC2)CC1)Cc1ccc(F)cc1 ZINC000584490208 1187533129 /nfs/dbraw/zinc/53/31/29/1187533129.db2.gz KKWQNXPTCCTKRN-UHFFFAOYSA-N 0 3 376.476 0.928 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000612594306 1187534592 /nfs/dbraw/zinc/53/45/92/1187534592.db2.gz JOFFFUHDKBEXBW-ZWKOTPCHSA-N 0 3 379.501 0.774 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCSC2(CCOCC2)C1 ZINC000612594261 1187534681 /nfs/dbraw/zinc/53/46/81/1187534681.db2.gz IXVSYCJYZOGIBL-MRXNPFEDSA-N 0 3 397.541 0.481 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)[C@@H](C)C1=O ZINC000612594931 1187535494 /nfs/dbraw/zinc/53/54/94/1187535494.db2.gz QFVVEDNKCBEHGB-RDJZCZTQSA-N 0 3 394.516 0.071 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N(CCO)CCc1ccccc1 ZINC000612598263 1187537888 /nfs/dbraw/zinc/53/78/88/1187537888.db2.gz ATSHQZILGGLYAJ-IBGZPJMESA-N 0 3 389.496 0.420 20 0 GCADHN CC(C)(C)C(=O)N1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000612601157 1187539351 /nfs/dbraw/zinc/53/93/51/1187539351.db2.gz NWKFOSPYWHOIKA-MRXNPFEDSA-N 0 3 394.516 0.073 20 0 GCADHN CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612601657 1187540295 /nfs/dbraw/zinc/54/02/95/1187540295.db2.gz RXIZCHKOOMYOQH-MRXNPFEDSA-N 0 3 389.452 0.743 20 0 GCADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1=O ZINC000612613663 1187541483 /nfs/dbraw/zinc/54/14/83/1187541483.db2.gz TXAPDVFXIXEXNL-JKSUJKDBSA-N 0 3 378.517 0.836 20 0 GCADHN CCN1CC[C@H](NC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)NCCOC)C2)C1 ZINC000413869960 1187552835 /nfs/dbraw/zinc/55/28/35/1187552835.db2.gz ZKQOUUNZOGNFOX-GJZGRUSLSA-N 0 3 392.504 0.769 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)OC)CC1 ZINC000612711357 1187559862 /nfs/dbraw/zinc/55/98/62/1187559862.db2.gz YDDZPUDGRHQELA-UHFFFAOYSA-N 0 3 379.461 0.192 20 0 GCADHN O=S(=O)(c1ccc(OCCN2C[C@H]3C[C@@]3(CO)C2)cc1)N1CCOCC1 ZINC000782633305 1187563279 /nfs/dbraw/zinc/56/32/79/1187563279.db2.gz NTXWWBTYLJSXJA-QAPCUYQASA-N 0 3 382.482 0.401 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000413901529 1187573378 /nfs/dbraw/zinc/57/33/78/1187573378.db2.gz MIFXYHUEFHPRLY-GOSISDBHSA-N 0 3 388.512 0.762 20 0 GCADHN CN1CCN(C(=O)[C@@H]2CCCCN2C)C[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC000636111779 1187573510 /nfs/dbraw/zinc/57/35/10/1187573510.db2.gz OSJULRDZLTWSGG-BZSNNMDCSA-N 0 3 379.549 0.214 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000589009134 1187589559 /nfs/dbraw/zinc/58/95/59/1187589559.db2.gz VOBMHYKIKNKPII-KRWDZBQOSA-N 0 3 386.456 0.775 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000589009138 1187589766 /nfs/dbraw/zinc/58/97/66/1187589766.db2.gz VOBMHYKIKNKPII-QGZVFWFLSA-N 0 3 386.456 0.775 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1=O ZINC000413980866 1187624140 /nfs/dbraw/zinc/62/41/40/1187624140.db2.gz RNUDOKMRBQYAEC-CZUORRHYSA-N 0 3 376.432 0.457 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ncccn3)n2CC2CC2)CC1 ZINC000612955649 1187626140 /nfs/dbraw/zinc/62/61/40/1187626140.db2.gz XMEOVHLRMQENKU-INIZCTEOSA-N 0 3 396.499 0.888 20 0 GCADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000376219945 1187697466 /nfs/dbraw/zinc/69/74/66/1187697466.db2.gz OYWHVBSTHQUQKW-HNNXBMFYSA-N 0 3 398.467 0.502 20 0 GCADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000376219945 1187697469 /nfs/dbraw/zinc/69/74/69/1187697469.db2.gz OYWHVBSTHQUQKW-HNNXBMFYSA-N 0 3 398.467 0.502 20 0 GCADHN C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000472533981 1187713565 /nfs/dbraw/zinc/71/35/65/1187713565.db2.gz GELHRTXOYDTSJE-CXAGYDPISA-N 0 3 388.468 0.304 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1O ZINC001024955906 1187716567 /nfs/dbraw/zinc/71/65/67/1187716567.db2.gz KPUPSLWGNWJREC-XOSAIJSUSA-N 0 3 376.457 0.011 20 0 GCADHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)Cn1cccn1 ZINC000414140597 1187736326 /nfs/dbraw/zinc/73/63/26/1187736326.db2.gz QZJQDZSEBGMXOC-FXAWDEMLSA-N 0 3 383.452 0.831 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000636337099 1187738852 /nfs/dbraw/zinc/73/88/52/1187738852.db2.gz MWGKVQIZKNBCJS-GDBMZVCRSA-N 0 3 395.525 0.720 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000636337103 1187738870 /nfs/dbraw/zinc/73/88/70/1187738870.db2.gz MWGKVQIZKNBCJS-GOEBONIOSA-N 0 3 395.525 0.720 20 0 GCADHN CN(C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCCN(C)C1 ZINC000892545763 1187750131 /nfs/dbraw/zinc/75/01/31/1187750131.db2.gz XQYWYTMVNNXWAP-QGZVFWFLSA-N 0 3 388.516 0.856 20 0 GCADHN CC[NH+](CC)[C@H]1CCN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000174141805 1187750144 /nfs/dbraw/zinc/75/01/44/1187750144.db2.gz PHTKPMHQACSQMW-INIZCTEOSA-N 0 3 391.516 0.790 20 0 GCADHN CN1CCN(CCNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1(C)C ZINC000332701750 1187756187 /nfs/dbraw/zinc/75/61/87/1187756187.db2.gz CKYKUHASHGAAPH-ZWKOTPCHSA-N 0 3 392.544 0.570 20 0 GCADHN CN1C(=O)C[C@H](NC(=O)[C@H]2CN3CCN2CCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000332766715 1187764186 /nfs/dbraw/zinc/76/41/86/1187764186.db2.gz CLCUJNPCFYYXBL-LZLYRXPVSA-N 0 3 378.423 0.743 20 0 GCADHN CN1C(=O)CO[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)[C@H]1c1ccccc1 ZINC000332799974 1187778473 /nfs/dbraw/zinc/77/84/73/1187778473.db2.gz ZVFQKBCOSXNYMC-QRQLOZEOSA-N 0 3 375.469 0.548 20 0 GCADHN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CCN(CC3CCOCC3)CC2)O1 ZINC000332815204 1187783528 /nfs/dbraw/zinc/78/35/28/1187783528.db2.gz YTWZFMRWNPECJA-IAGOWNOFSA-N 0 3 382.505 0.376 20 0 GCADHN NC(=O)c1c(N)sc(=Nc2ccccc2)n1C(=O)C1CCCS1(=O)=O ZINC001143468545 1187794035 /nfs/dbraw/zinc/79/40/35/1187794035.db2.gz ZTMSQWRGEHEUDM-SNVBAGLBSA-N 0 3 380.451 0.681 20 0 GCADHN NC(=O)c1c(N)sc(=Nc2ccccc2)n1C(=O)C1CCCS1(=O)=O ZINC001143468544 1187794234 /nfs/dbraw/zinc/79/42/34/1187794234.db2.gz ZTMSQWRGEHEUDM-JTQLQIEISA-N 0 3 380.451 0.681 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCCn3nc(C(C)C)nc32)n1 ZINC000376409308 1187821474 /nfs/dbraw/zinc/82/14/74/1187821474.db2.gz SBMVANCOZNTVNX-GFCCVEGCSA-N 0 3 375.481 0.024 20 0 GCADHN CCCN(CCN1CCCCC1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000376409795 1187822313 /nfs/dbraw/zinc/82/23/13/1187822313.db2.gz UPJPKOOTUZHQJM-IRXDYDNUSA-N 0 3 399.557 0.747 20 0 GCADHN CCCN(CCN1CCCCC1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000376409797 1187822591 /nfs/dbraw/zinc/82/25/91/1187822591.db2.gz UPJPKOOTUZHQJM-SJORKVTESA-N 0 3 399.557 0.747 20 0 GCADHN CO[C@@H](c1ccccc1F)[C@@H](C)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000580056842 1187830553 /nfs/dbraw/zinc/83/05/53/1187830553.db2.gz JMIYGHZVUVDGFV-IUODEOHRSA-N 0 3 378.452 0.689 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCn4ccnc4C3)CC2)C[C@H](C)O1 ZINC000658993242 1187834018 /nfs/dbraw/zinc/83/40/18/1187834018.db2.gz JYVLMFKIXHRTTC-IYBDPMFKSA-N 0 3 389.500 0.573 20 0 GCADHN COC1(CO)CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000658995051 1187834638 /nfs/dbraw/zinc/83/46/38/1187834638.db2.gz DHRGNWGEMCIUJO-UHFFFAOYSA-N 0 3 395.475 0.716 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000103123225 1187844203 /nfs/dbraw/zinc/84/42/03/1187844203.db2.gz FIBJJLXQSDGYJD-IBGZPJMESA-N 0 3 398.507 0.802 20 0 GCADHN C[C@](O)(CNC(=O)CCN1CCN(c2ccccc2)CC1)CN1CCOCC1 ZINC000176324867 1187845496 /nfs/dbraw/zinc/84/54/96/1187845496.db2.gz QGCKEIWXPLYNEY-NRFANRHFSA-N 0 3 390.528 0.398 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000549076770 1187856593 /nfs/dbraw/zinc/85/65/93/1187856593.db2.gz AUVGHBJOOWECAF-UHFFFAOYSA-N 0 3 388.490 0.018 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000176625483 1187867775 /nfs/dbraw/zinc/86/77/75/1187867775.db2.gz CSNVBPLCJHFRJC-UHFFFAOYSA-N 0 3 380.470 0.928 20 0 GCADHN C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)[C@H](C)CO1 ZINC000659093944 1187874492 /nfs/dbraw/zinc/87/44/92/1187874492.db2.gz FCUFVCXWTKWZTD-ZIAGYGMSSA-N 0 3 376.457 0.333 20 0 GCADHN C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)[C@@H](C)CO1 ZINC000659093943 1187874526 /nfs/dbraw/zinc/87/45/26/1187874526.db2.gz FCUFVCXWTKWZTD-UONOGXRCSA-N 0 3 376.457 0.333 20 0 GCADHN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)[C@@H]2C1 ZINC000892650739 1187880804 /nfs/dbraw/zinc/88/08/04/1187880804.db2.gz QDHJQZOCPOEVDE-ALYAQQCSSA-N 0 3 394.516 0.816 20 0 GCADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CC1=O ZINC000659104864 1187881868 /nfs/dbraw/zinc/88/18/68/1187881868.db2.gz RQVSDCQWLXZFTC-ZDUSSCGKSA-N 0 3 388.468 0.870 20 0 GCADHN Cn1cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(C2CCCCC2)n1 ZINC000659110470 1187886554 /nfs/dbraw/zinc/88/65/54/1187886554.db2.gz JOTWZVLZQXISMG-UHFFFAOYSA-N 0 3 387.444 0.677 20 0 GCADHN CCCCCn1nc(C)cc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659110581 1187887067 /nfs/dbraw/zinc/88/70/67/1187887067.db2.gz MYLAUGCNYPWCRO-UHFFFAOYSA-N 0 3 375.433 0.591 20 0 GCADHN CC(C)n1ncc2ccc(NC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)cc21 ZINC000659111144 1187887310 /nfs/dbraw/zinc/88/73/10/1187887310.db2.gz ZSGGWKVYURLYGB-UHFFFAOYSA-N 0 3 383.412 0.826 20 0 GCADHN CC(=O)NCCN(C)C(=O)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000647563629 1187889220 /nfs/dbraw/zinc/88/92/20/1187889220.db2.gz PHPXCZFBVNOAQV-HOTGVXAUSA-N 0 3 396.532 0.319 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)oc1C ZINC000431831285 1187899034 /nfs/dbraw/zinc/89/90/34/1187899034.db2.gz FRIXDUANWMEVBH-GFCCVEGCSA-N 0 3 387.458 0.240 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)oc1C ZINC000431831285 1187899035 /nfs/dbraw/zinc/89/90/35/1187899035.db2.gz FRIXDUANWMEVBH-GFCCVEGCSA-N 0 3 387.458 0.240 20 0 GCADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)N1CCCN(C3CCCC3)CC1)CCO2 ZINC000659132362 1187900556 /nfs/dbraw/zinc/90/05/56/1187900556.db2.gz CCLAXXJQASIOKA-UZLBHIALSA-N 0 3 379.501 0.870 20 0 GCADHN CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000659159518 1187904230 /nfs/dbraw/zinc/90/42/30/1187904230.db2.gz RCSKVUAPLHLUNH-OAHLLOKOSA-N 0 3 379.505 0.335 20 0 GCADHN CN(C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCN(C)C1 ZINC000892668252 1187911294 /nfs/dbraw/zinc/91/12/94/1187911294.db2.gz DWPGXKMSLKXTHC-INIZCTEOSA-N 0 3 389.504 0.251 20 0 GCADHN CC(C)(CNC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F)N1CCCCC1 ZINC000636460519 1187911949 /nfs/dbraw/zinc/91/19/49/1187911949.db2.gz LDLNGULYDRALQF-LBPRGKRZSA-N 0 3 390.410 0.878 20 0 GCADHN CCOC[C@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CCO1 ZINC000636462664 1187914952 /nfs/dbraw/zinc/91/49/52/1187914952.db2.gz LVGABRUXLFSTAP-QZTJIDSGSA-N 0 3 377.485 0.539 20 0 GCADHN CCOC[C@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CCO1 ZINC000636462666 1187915065 /nfs/dbraw/zinc/91/50/65/1187915065.db2.gz LVGABRUXLFSTAP-ZWKOTPCHSA-N 0 3 377.485 0.539 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000580180257 1187916949 /nfs/dbraw/zinc/91/69/49/1187916949.db2.gz NNSNQBRZSUIBDK-CQSZACIVSA-N 0 3 383.452 0.834 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N(CC)Cc2ccoc2)CC1 ZINC000659243191 1187919697 /nfs/dbraw/zinc/91/96/97/1187919697.db2.gz JWUYOAJQMUXCLK-UHFFFAOYSA-N 0 3 378.473 0.641 20 0 GCADHN O=C(CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)N1CCc2ccccc2C1 ZINC000892674785 1187923993 /nfs/dbraw/zinc/92/39/93/1187923993.db2.gz YIFSHSCOHCYEHM-RTBURBONSA-N 0 3 386.496 0.812 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1=O ZINC000178208219 1187943914 /nfs/dbraw/zinc/94/39/14/1187943914.db2.gz MRGOLGLPGWHVDG-BBRMVZONSA-N 0 3 392.887 0.972 20 0 GCADHN CC1(C)CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@]2(CCOC2)O1 ZINC000659345245 1187945202 /nfs/dbraw/zinc/94/52/02/1187945202.db2.gz GGKNMSWWIAUXNW-JXFKEZNVSA-N 0 3 379.501 0.870 20 0 GCADHN CCOCC(=O)NNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000066699733 1187949317 /nfs/dbraw/zinc/94/93/17/1187949317.db2.gz PBSLGUBPKSIYFZ-UHFFFAOYSA-N 0 3 377.489 0.561 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@H](C)C1 ZINC000589239996 1187953192 /nfs/dbraw/zinc/95/31/92/1187953192.db2.gz WCNVNZBVCOFUSE-CVEARBPZSA-N 0 3 396.532 0.319 20 0 GCADHN Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)C(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000106178485 1187955802 /nfs/dbraw/zinc/95/58/02/1187955802.db2.gz RMMAUEFBOADGOK-XJKSGUPXSA-N 0 3 376.505 0.719 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2ccccc2CN2CCOCC2)n1 ZINC000659430196 1187956327 /nfs/dbraw/zinc/95/63/27/1187956327.db2.gz DGHMLPOTCZRBNR-UHFFFAOYSA-N 0 3 386.456 0.473 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCc2ccnc(OCC(F)(F)F)c2)n1 ZINC000659432534 1187957091 /nfs/dbraw/zinc/95/70/91/1187957091.db2.gz BNSLEJCTPJRMHX-UHFFFAOYSA-N 0 3 386.334 0.976 20 0 GCADHN COc1cc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc(OC)c1OC ZINC000659432248 1187957763 /nfs/dbraw/zinc/95/77/63/1187957763.db2.gz UDDBIJJDEFZVDD-UHFFFAOYSA-N 0 3 377.401 0.666 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCC(=O)N2Cc3ccccc3C2)n1 ZINC000659452791 1187959695 /nfs/dbraw/zinc/95/96/95/1187959695.db2.gz DXDUVYBENFLQAS-UHFFFAOYSA-N 0 3 384.440 0.763 20 0 GCADHN CCc1cc(N2CCC[C@H](NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)ncn1 ZINC000659454707 1187960827 /nfs/dbraw/zinc/96/08/27/1187960827.db2.gz MYHDXNUTVPPAPC-ZDUSSCGKSA-N 0 3 386.460 0.462 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)n1 ZINC000659453190 1187961026 /nfs/dbraw/zinc/96/10/26/1187961026.db2.gz RQQKDQCRUWSJAH-NSHDSACASA-N 0 3 378.383 0.997 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)n1 ZINC000659461287 1187961884 /nfs/dbraw/zinc/96/18/84/1187961884.db2.gz GUJOJNGTVLPAQY-PMPSAXMXSA-N 0 3 396.451 0.597 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)n1 ZINC000659467918 1187962966 /nfs/dbraw/zinc/96/29/66/1187962966.db2.gz SBRKVRQSYJRRIH-LBPRGKRZSA-N 0 3 392.366 0.524 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)n1 ZINC000659494890 1187965829 /nfs/dbraw/zinc/96/58/29/1187965829.db2.gz HBNHATGJBIQADF-LBPRGKRZSA-N 0 3 377.449 0.120 20 0 GCADHN C[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000659500226 1187966673 /nfs/dbraw/zinc/96/66/73/1187966673.db2.gz GQUTUKQCQBTTNH-RYUDHWBXSA-N 0 3 384.440 0.806 20 0 GCADHN CC(C)(C)O[C@@H]1C[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H]1n1cccn1 ZINC000659500946 1187966792 /nfs/dbraw/zinc/96/67/92/1187966792.db2.gz LIDQXSDJIRPRQV-ZENOOKHLSA-N 0 3 389.460 0.834 20 0 GCADHN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000973483250 1187970435 /nfs/dbraw/zinc/97/04/35/1187970435.db2.gz BAOMGJDLLDMXEJ-QICOQELYSA-N 0 3 387.480 0.036 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2)nn1 ZINC000659610504 1187975946 /nfs/dbraw/zinc/97/59/46/1187975946.db2.gz MZAHLJOESPBPIT-HOTGVXAUSA-N 0 3 390.492 0.373 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)n1 ZINC000659630776 1187978224 /nfs/dbraw/zinc/97/82/24/1187978224.db2.gz VGSFUCQTWGEQLL-UHFFFAOYSA-N 0 3 383.474 0.284 20 0 GCADHN CN(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000659631482 1187978270 /nfs/dbraw/zinc/97/82/70/1187978270.db2.gz FQXQOXKRAHNHFK-HNNXBMFYSA-N 0 3 384.440 0.978 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(c3cccc(F)c3F)CC2)n1 ZINC000659631252 1187978278 /nfs/dbraw/zinc/97/82/78/1187978278.db2.gz SMLJPUSXZXFFKR-UHFFFAOYSA-N 0 3 378.383 0.951 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)n1 ZINC000659631007 1187978354 /nfs/dbraw/zinc/97/83/54/1187978354.db2.gz YTWUJFROCHHDTH-IBGZPJMESA-N 0 3 389.431 0.917 20 0 GCADHN C[C@H](c1nccs1)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659630230 1187978505 /nfs/dbraw/zinc/97/85/05/1187978505.db2.gz HIXBPAYHGFDIDZ-LLVKDONJSA-N 0 3 377.474 0.686 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(OCC2CC2)c1 ZINC000659671663 1187990217 /nfs/dbraw/zinc/99/02/17/1187990217.db2.gz FGPJBAXOVDTYCL-UHFFFAOYSA-N 0 3 399.451 0.671 20 0 GCADHN C[C@@H](OCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1 ZINC000659680488 1187993192 /nfs/dbraw/zinc/99/31/92/1187993192.db2.gz HJNAOMNRXURNRX-CYBMUJFWSA-N 0 3 387.440 0.541 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2ccc(F)c(F)c2F)n1 ZINC000659680079 1187993235 /nfs/dbraw/zinc/99/32/35/1187993235.db2.gz SXAPFBPLSDZQNB-UHFFFAOYSA-N 0 3 383.330 0.033 20 0 GCADHN CCOCCC1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCCC1 ZINC000659674034 1187993759 /nfs/dbraw/zinc/99/37/59/1187993759.db2.gz QAYZFLMUSFMTPB-UHFFFAOYSA-N 0 3 379.461 0.360 20 0 GCADHN COC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000659684527 1187995845 /nfs/dbraw/zinc/99/58/45/1187995845.db2.gz GKIVLVAOUUXCCN-CYBMUJFWSA-N 0 3 395.366 0.039 20 0 GCADHN O=C(C(=O)N1CCN(CC2CCOCC2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000659688163 1187998131 /nfs/dbraw/zinc/99/81/31/1187998131.db2.gz GSZZLKBPYBPCTJ-SFHVURJKSA-N 0 3 376.501 0.030 20 0 GCADHN C[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc(N2CCCC2)c1 ZINC000659692476 1188000233 /nfs/dbraw/zinc/00/02/33/1188000233.db2.gz DHVUUEXZGGHGFJ-ZDUSSCGKSA-N 0 3 398.467 0.735 20 0 GCADHN CSc1ccc(CCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659705185 1188001613 /nfs/dbraw/zinc/00/16/13/1188001613.db2.gz SJBWWNNWSYJQKR-UHFFFAOYSA-N 0 3 375.454 0.338 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000659698784 1188003820 /nfs/dbraw/zinc/00/38/20/1188003820.db2.gz MDZHAHMTFVOPRI-GXTWGEPZSA-N 0 3 387.415 0.849 20 0 GCADHN Cc1ccc(OCCCCNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659699036 1188004181 /nfs/dbraw/zinc/00/41/81/1188004181.db2.gz OMYBKOZAJHRHFN-UHFFFAOYSA-N 0 3 387.440 0.541 20 0 GCADHN COCC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(C)o1 ZINC000659702156 1188004894 /nfs/dbraw/zinc/00/48/94/1188004894.db2.gz OABYZHIJTCKMRN-LBPRGKRZSA-N 0 3 377.401 0.053 20 0 GCADHN CO[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000659701258 1188004922 /nfs/dbraw/zinc/00/49/22/1188004922.db2.gz ZUXOMBPDALLZOW-CYBMUJFWSA-N 0 3 393.831 0.414 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)[C@@H]1OC ZINC000659701016 1188005063 /nfs/dbraw/zinc/00/50/63/1188005063.db2.gz BADRBKAJFLLKKU-VQISRLSMSA-N 0 3 379.461 0.213 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CCSc3c(F)cccc32)n1 ZINC000659702705 1188006056 /nfs/dbraw/zinc/00/60/56/1188006056.db2.gz RUKFILSNHFGXSP-LBPRGKRZSA-N 0 3 391.428 0.750 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000659727943 1188012846 /nfs/dbraw/zinc/01/28/46/1188012846.db2.gz MESSQXQVDAVOQK-AWEZNQCLSA-N 0 3 386.477 0.799 20 0 GCADHN O=C(CNC(=O)c1ccc(N2CCC(O)CC2)cc1)NCCN1CCCCC1 ZINC000909322436 1188025079 /nfs/dbraw/zinc/02/50/79/1188025079.db2.gz IMJDNWYFQFYNQA-UHFFFAOYSA-N 0 3 388.512 0.980 20 0 GCADHN COc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc(OC)c1OCC(N)=O ZINC000377469600 1188029161 /nfs/dbraw/zinc/02/91/61/1188029161.db2.gz GHMMDTYDRQABHY-KBPBESRZSA-N 0 3 393.440 0.161 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1S(=O)(=O)NC(C)(C)C ZINC000415312207 1188029212 /nfs/dbraw/zinc/02/92/12/1188029212.db2.gz CHKQLROAFDROTD-UHFFFAOYSA-N 0 3 396.513 0.832 20 0 GCADHN CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909322535 1188029381 /nfs/dbraw/zinc/02/93/81/1188029381.db2.gz CVDPNAGPMZXBMT-KRWDZBQOSA-N 0 3 395.548 0.782 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000377473847 1188030966 /nfs/dbraw/zinc/03/09/66/1188030966.db2.gz GJIKARSUUPJSPO-OAHLLOKOSA-N 0 3 380.489 0.810 20 0 GCADHN O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)C(=O)N1CCCNCC1 ZINC000415319510 1188032821 /nfs/dbraw/zinc/03/28/21/1188032821.db2.gz OSZVCRORPIXVJQ-UHFFFAOYSA-N 0 3 399.495 0.734 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000377481307 1188037794 /nfs/dbraw/zinc/03/77/94/1188037794.db2.gz IRENZOFJOFHSMN-CVEARBPZSA-N 0 3 397.497 0.204 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000377481308 1188038320 /nfs/dbraw/zinc/03/83/20/1188038320.db2.gz IRENZOFJOFHSMN-HOTGVXAUSA-N 0 3 397.497 0.204 20 0 GCADHN CNC(=O)COc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000377514097 1188060645 /nfs/dbraw/zinc/06/06/45/1188060645.db2.gz XSGCZGIIWQWZRM-CABCVRRESA-N 0 3 377.441 0.413 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](N)c2ccccc2)c2ccccc2O1 ZINC000415386272 1188070187 /nfs/dbraw/zinc/07/01/87/1188070187.db2.gz GCFPUXANWBIEIS-WMLDXEAASA-N 0 3 382.420 0.343 20 0 GCADHN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N1CCN[C@H](C)C1 ZINC000415418290 1188076354 /nfs/dbraw/zinc/07/63/54/1188076354.db2.gz RKTPZJGPAKQXPQ-OAHLLOKOSA-N 0 3 389.500 0.596 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000377582590 1188081017 /nfs/dbraw/zinc/08/10/17/1188081017.db2.gz OAOIQJJSLNZZOW-HOTGVXAUSA-N 0 3 390.440 0.574 20 0 GCADHN Cc1ccc([C@H](CNC(=O)N(C)C[C@H](O)CN2CCOCC2)N(C)C)cc1 ZINC000175723302 1188085352 /nfs/dbraw/zinc/08/53/52/1188085352.db2.gz AMXMKGUVFBJWMO-OALUTQOASA-N 0 3 378.517 0.932 20 0 GCADHN CN(C)c1noc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000460639743 1188110736 /nfs/dbraw/zinc/11/07/36/1188110736.db2.gz OJKWTWPSFNFIDM-HZPDHXFCSA-N 0 3 388.472 0.818 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377723669 1188117148 /nfs/dbraw/zinc/11/71/48/1188117148.db2.gz HJVIEEKCZRZYMM-CABCVRRESA-N 0 3 375.425 0.700 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000460658019 1188117872 /nfs/dbraw/zinc/11/78/72/1188117872.db2.gz RURZDSPQSILZCM-UHFFFAOYSA-N 0 3 379.509 0.199 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000377728371 1188118729 /nfs/dbraw/zinc/11/87/29/1188118729.db2.gz NMQLCXINFDNBAK-CHWSQXEVSA-N 0 3 390.465 0.649 20 0 GCADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000377727223 1188118823 /nfs/dbraw/zinc/11/88/23/1188118823.db2.gz LSSFPNRKRJJNHP-JKSUJKDBSA-N 0 3 388.468 0.663 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)C1 ZINC000377759961 1188131607 /nfs/dbraw/zinc/13/16/07/1188131607.db2.gz JTNUZTPOHZLDJJ-GJZGRUSLSA-N 0 3 376.457 0.820 20 0 GCADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377769168 1188133177 /nfs/dbraw/zinc/13/31/77/1188133177.db2.gz AIDNDGXEZSOKGU-HZPDHXFCSA-N 0 3 395.481 0.147 20 0 GCADHN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377789651 1188137841 /nfs/dbraw/zinc/13/78/41/1188137841.db2.gz ZKCJYIPEFQCIEN-CABCVRRESA-N 0 3 377.489 0.927 20 0 GCADHN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c2)n[nH]1 ZINC000377789578 1188138177 /nfs/dbraw/zinc/13/81/77/1188138177.db2.gz ZDZBXTFDYAYORU-HZPDHXFCSA-N 0 3 384.440 0.698 20 0 GCADHN COC(=O)CC1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000549335338 1188139958 /nfs/dbraw/zinc/13/99/58/1188139958.db2.gz PHTJUMUVYGWEMC-MRXNPFEDSA-N 0 3 382.505 0.914 20 0 GCADHN CC(=O)NC1CCC(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000549335431 1188142004 /nfs/dbraw/zinc/14/20/04/1188142004.db2.gz RUTZYRPNXLJZKS-JCYILVPMSA-N 0 3 381.521 0.676 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000415706805 1188145168 /nfs/dbraw/zinc/14/51/68/1188145168.db2.gz IZZGWGMWJJTSDQ-PKOBYXMFSA-N 0 3 394.431 0.853 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000415706799 1188145287 /nfs/dbraw/zinc/14/52/87/1188145287.db2.gz IZZGWGMWJJTSDQ-HKUYNNGSSA-N 0 3 394.431 0.853 20 0 GCADHN C[C@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000377917194 1189373225 /nfs/dbraw/zinc/37/32/25/1189373225.db2.gz RYZCOCDEFHPTNE-YOEHRIQHSA-N 0 3 390.484 0.678 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1-n1cnnn1 ZINC000377922216 1189373333 /nfs/dbraw/zinc/37/33/33/1189373333.db2.gz YKLUTBRMNWUXLC-CQSZACIVSA-N 0 3 385.428 0.306 20 0 GCADHN CCc1ccccc1[C@H](N)CNC(=O)C(=O)Nc1c(OC)ncnc1N(C)C ZINC000415833374 1189375004 /nfs/dbraw/zinc/37/50/04/1189375004.db2.gz HRHPLLDMOXPDIL-CQSZACIVSA-N 0 3 386.456 0.868 20 0 GCADHN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415861721 1189385406 /nfs/dbraw/zinc/38/54/06/1189385406.db2.gz JLVLHNMXAWYKRH-AWEZNQCLSA-N 0 3 377.832 0.877 20 0 GCADHN COc1cc(CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)ccc1OCCO ZINC000472915904 1189387163 /nfs/dbraw/zinc/38/71/63/1189387163.db2.gz QCSLCYYJCBGOKR-INIZCTEOSA-N 0 3 394.516 0.892 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000415856671 1189387185 /nfs/dbraw/zinc/38/71/85/1189387185.db2.gz BHUMBOBGCSCGBK-CQSZACIVSA-N 0 3 397.357 0.934 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000415869978 1189390045 /nfs/dbraw/zinc/39/00/45/1189390045.db2.gz RWDMBPMZTPTCJX-LSDHHAIUSA-N 0 3 377.441 0.678 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000415864485 1189390547 /nfs/dbraw/zinc/39/05/47/1189390547.db2.gz MIGWFBMEWAAKEM-KRWDZBQOSA-N 0 3 383.452 0.930 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000415873591 1189391293 /nfs/dbraw/zinc/39/12/93/1189391293.db2.gz YSAAWLAMOODYMC-CYBMUJFWSA-N 0 3 397.357 0.934 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c2ccccc2O1 ZINC000415876966 1189392932 /nfs/dbraw/zinc/39/29/32/1189392932.db2.gz HDFKRQZFFZBVAM-HIFRSBDPSA-N 0 3 384.440 0.714 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@H]2CNCCO2)ccc1OCC(F)(F)F ZINC000415870508 1189393084 /nfs/dbraw/zinc/39/30/84/1189393084.db2.gz SXDRUZRBWQTNLR-GFCCVEGCSA-N 0 3 375.347 0.979 20 0 GCADHN COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000415873201 1189394023 /nfs/dbraw/zinc/39/40/23/1189394023.db2.gz YFGIYUOJGCALRG-CYBMUJFWSA-N 0 3 379.413 0.304 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000472917439 1189394147 /nfs/dbraw/zinc/39/41/47/1189394147.db2.gz WKZGKRRVKBVPIV-INIZCTEOSA-N 0 3 393.536 0.096 20 0 GCADHN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)C(=O)N1CCOC2(CNC2)C1 ZINC000415901606 1189400199 /nfs/dbraw/zinc/40/01/99/1189400199.db2.gz XHFKDHYEQRRJAE-UHFFFAOYSA-N 0 3 389.843 0.724 20 0 GCADHN COCCO[C@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000511536984 1189417609 /nfs/dbraw/zinc/41/76/09/1189417609.db2.gz FVWOSSVLPLHFKK-DLBZAZTESA-N 0 3 384.521 0.766 20 0 GCADHN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000416116528 1189436806 /nfs/dbraw/zinc/43/68/06/1189436806.db2.gz WXNXGFZXKXXRQV-OAHLLOKOSA-N 0 3 381.473 0.302 20 0 GCADHN C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)CC1(C)OCCO1 ZINC000378178018 1189437575 /nfs/dbraw/zinc/43/75/75/1189437575.db2.gz LWWIWYRMTCDCJS-JKSUJKDBSA-N 0 3 382.505 0.724 20 0 GCADHN CN(C)c1nc2cc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)ccc2o1 ZINC000378186037 1189438832 /nfs/dbraw/zinc/43/88/32/1189438832.db2.gz ULHVKRWPSPDULR-KBPBESRZSA-N 0 3 387.440 0.812 20 0 GCADHN CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000378221520 1189447655 /nfs/dbraw/zinc/44/76/55/1189447655.db2.gz GLZXOWGZZOQPRE-KRWDZBQOSA-N 0 3 393.509 0.909 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)c1 ZINC000041598488 1189452063 /nfs/dbraw/zinc/45/20/63/1189452063.db2.gz BSFSBHILPWKRRM-CQSZACIVSA-N 0 3 376.457 0.741 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1)N1CCCC1 ZINC000041598144 1189452461 /nfs/dbraw/zinc/45/24/61/1189452461.db2.gz XGTMTOXHNSHUHA-HNNXBMFYSA-N 0 3 388.468 0.698 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)N1CCCC1 ZINC000041598651 1189452501 /nfs/dbraw/zinc/45/25/01/1189452501.db2.gz CVRFWUFAPVBNMR-CQSZACIVSA-N 0 3 386.452 0.875 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1 ZINC000041599362 1189452571 /nfs/dbraw/zinc/45/25/71/1189452571.db2.gz RHBSWUFYKZQLAE-CQSZACIVSA-N 0 3 396.513 0.912 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCCC1 ZINC000041599667 1189453432 /nfs/dbraw/zinc/45/34/32/1189453432.db2.gz KHGIEEWBNTXJEH-ZDUSSCGKSA-N 0 3 383.452 0.882 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OCCOC)cc2)CC1 ZINC000041641146 1189455258 /nfs/dbraw/zinc/45/52/58/1189455258.db2.gz FOXFQYPCMNRGDI-INIZCTEOSA-N 0 3 392.500 0.793 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(NC(C)=O)ccc2F)CC1 ZINC000041640700 1189455622 /nfs/dbraw/zinc/45/56/22/1189455622.db2.gz XJKLQYSLLJEURX-ZDUSSCGKSA-N 0 3 393.463 0.865 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(NC(C)=O)ccc2F)CC1 ZINC000041720254 1189457458 /nfs/dbraw/zinc/45/74/58/1189457458.db2.gz MUYOAHVCMAGOJM-UHFFFAOYSA-N 0 3 393.463 0.866 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000728740842 1189458269 /nfs/dbraw/zinc/45/82/69/1189458269.db2.gz FQXANFACDCGCAH-UHFFFAOYSA-N 0 3 395.504 0.557 20 0 GCADHN CCOc1ccc(C[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C(=O)OC)cc1 ZINC000378310546 1189472883 /nfs/dbraw/zinc/47/28/83/1189472883.db2.gz CTXZSFOIWHSEQG-PKOBYXMFSA-N 0 3 389.496 0.923 20 0 GCADHN COC(=O)C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc(OC)c(OC)c1 ZINC000378318754 1189473701 /nfs/dbraw/zinc/47/37/01/1189473701.db2.gz ZDJMANFICVGQMP-JKSUJKDBSA-N 0 3 391.468 0.814 20 0 GCADHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCCN(CC)CCO ZINC000274391881 1189484906 /nfs/dbraw/zinc/48/49/06/1189484906.db2.gz CHEUOHWSNQRYAX-UHFFFAOYSA-N 0 3 394.472 0.156 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000274399344 1189490537 /nfs/dbraw/zinc/49/05/37/1189490537.db2.gz DORCQVVHVUBIKJ-UHFFFAOYSA-N 0 3 384.864 0.411 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000668890934 1189495467 /nfs/dbraw/zinc/49/54/67/1189495467.db2.gz GUKJJJNXMJJVGS-IPMKNSEASA-N 0 3 394.560 0.983 20 0 GCADHN CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cccc(CN(C)C)c3)CCN2C1=O ZINC000363810910 1189496605 /nfs/dbraw/zinc/49/66/05/1189496605.db2.gz DCORGGQWQMGJAY-OAHLLOKOSA-N 0 3 387.440 0.182 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC(O)(CN2CCOCC2)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000378409567 1189499268 /nfs/dbraw/zinc/49/92/68/1189499268.db2.gz MIFJLDRAONXBOA-QRVBRYPASA-N 0 3 397.560 0.806 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC(O)(CN2CCOCC2)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000378409560 1189499351 /nfs/dbraw/zinc/49/93/51/1189499351.db2.gz MIFJLDRAONXBOA-GUDVDZBRSA-N 0 3 397.560 0.806 20 0 GCADHN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 ZINC000363835642 1189513107 /nfs/dbraw/zinc/51/31/07/1189513107.db2.gz YWLMSESCTDLZMI-HOTGVXAUSA-N 0 3 398.467 0.802 20 0 GCADHN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000568644830 1189536281 /nfs/dbraw/zinc/53/62/81/1189536281.db2.gz GOUWVEAHJUGMQW-VQIMIIECSA-N 0 3 389.500 0.654 20 0 GCADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000580326797 1189540816 /nfs/dbraw/zinc/54/08/16/1189540816.db2.gz NNHZLWHDFLRTSQ-HNNXBMFYSA-N 0 3 390.465 0.856 20 0 GCADHN C[C@H](O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)C1 ZINC000893259641 1189551553 /nfs/dbraw/zinc/55/15/53/1189551553.db2.gz UBKVXSDLCJKQLV-HOTGVXAUSA-N 0 3 383.514 0.599 20 0 GCADHN CN(C)c1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000416578199 1189553409 /nfs/dbraw/zinc/55/34/09/1189553409.db2.gz GLSVGXFYAXCTGD-UHFFFAOYSA-N 0 3 397.545 0.223 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000511570518 1189557187 /nfs/dbraw/zinc/55/71/87/1189557187.db2.gz DTBSHPRNRJQYEK-NJAFHUGGSA-N 0 3 381.480 0.951 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000511570520 1189557219 /nfs/dbraw/zinc/55/72/19/1189557219.db2.gz DTBSHPRNRJQYEK-NXHRZFHOSA-N 0 3 381.480 0.951 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000363903662 1189561716 /nfs/dbraw/zinc/56/17/16/1189561716.db2.gz KZBVWXXWHHNPQI-HRCADAONSA-N 0 3 389.452 0.772 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000416683553 1189572113 /nfs/dbraw/zinc/57/21/13/1189572113.db2.gz KQDVWVAKEDBBIX-KBPBESRZSA-N 0 3 375.464 0.568 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)C2=O)n1 ZINC000893275238 1189584332 /nfs/dbraw/zinc/58/43/32/1189584332.db2.gz MAICFZRRVGXTBG-XHSDSOJGSA-N 0 3 390.488 0.156 20 0 GCADHN CCN1CCN(C(=O)CC2CCN([C@@H](C)C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000108919335 1189595578 /nfs/dbraw/zinc/59/55/78/1189595578.db2.gz QGSJNRNQTVWYAE-PKOBYXMFSA-N 0 3 394.560 0.936 20 0 GCADHN CN(c1ccc(CNC(=O)NC2CCN(CCO)CC2)cc1)S(C)(=O)=O ZINC000601329264 1189598042 /nfs/dbraw/zinc/59/80/42/1189598042.db2.gz FXYJZPDDEKJZAQ-UHFFFAOYSA-N 0 3 384.502 0.338 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000274437139 1189609081 /nfs/dbraw/zinc/60/90/81/1189609081.db2.gz KXNGEBBPHYCLEG-HNNXBMFYSA-N 0 3 378.473 0.281 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000364001007 1189609205 /nfs/dbraw/zinc/60/92/05/1189609205.db2.gz GHYKAPMQOBIQQC-MRXNPFEDSA-N 0 3 392.504 0.984 20 0 GCADHN CC[C@@H](C(=O)OC)N1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000511605228 1189620780 /nfs/dbraw/zinc/62/07/80/1189620780.db2.gz IXTFRZZUEAXCOZ-RBUKOAKNSA-N 0 3 390.528 0.975 20 0 GCADHN Cc1ccc(NC(=O)CN[C@H](CO)C2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000584674467 1189622764 /nfs/dbraw/zinc/62/27/64/1189622764.db2.gz BZXVXVSJJOZMTH-MRXNPFEDSA-N 0 3 399.513 0.561 20 0 GCADHN COC(=O)NCC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000364039629 1189626223 /nfs/dbraw/zinc/62/62/23/1189626223.db2.gz SHSWWAWMZMLVSU-MRXNPFEDSA-N 0 3 375.473 0.798 20 0 GCADHN Cc1cc(C)n(-c2ccccc2CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000580331693 1189631162 /nfs/dbraw/zinc/63/11/62/1189631162.db2.gz FOBMSQUTNZPCOK-IAGOWNOFSA-N 0 3 382.468 0.943 20 0 GCADHN CC[C@@H](NC(=O)NC[C@H]1CNCCO1)c1ccccc1OCC(=O)N(C)C ZINC000417190360 1189631287 /nfs/dbraw/zinc/63/12/87/1189631287.db2.gz XGLZPISDAJGPCQ-GDBMZVCRSA-N 0 3 378.473 0.892 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000584711409 1189635598 /nfs/dbraw/zinc/63/55/98/1189635598.db2.gz NTLUPALXGWVFSU-FGTMMUONSA-N 0 3 380.533 0.737 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000660176924 1189635732 /nfs/dbraw/zinc/63/57/32/1189635732.db2.gz DEQVFXKQFJWEGU-KRWDZBQOSA-N 0 3 392.500 0.493 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000660182103 1189640945 /nfs/dbraw/zinc/64/09/45/1189640945.db2.gz WXWNQMCJVXINCZ-UHFFFAOYSA-N 0 3 396.557 0.553 20 0 GCADHN Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584733224 1189641580 /nfs/dbraw/zinc/64/15/80/1189641580.db2.gz ZXRDHEKRDLVLLC-ZIAGYGMSSA-N 0 3 388.472 0.177 20 0 GCADHN O=C(NCc1cccc(OCCN2CCOCC2)c1)NC[C@H]1CNCCO1 ZINC000417297160 1189643137 /nfs/dbraw/zinc/64/31/37/1189643137.db2.gz NSEJDJCLQVQCAZ-GOSISDBHSA-N 0 3 378.473 0.185 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(-c3ccnn3C)nn2)CC1 ZINC000417324145 1189647755 /nfs/dbraw/zinc/64/77/55/1189647755.db2.gz PTLBVNJBVXXXGW-MRXNPFEDSA-N 0 3 398.471 0.647 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C[C@H]2[NH3+])cn1 ZINC000584774847 1189658512 /nfs/dbraw/zinc/65/85/12/1189658512.db2.gz VLOYRGNHHSADDH-BBWFWOEESA-N 0 3 383.452 0.684 20 0 GCADHN O=C(C(=O)N1CCN(C[C@H]2CCOC2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000582108066 1189676544 /nfs/dbraw/zinc/67/65/44/1189676544.db2.gz JORPBOHXXZFQBI-MSOLQXFVSA-N 0 3 378.517 0.254 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000584818294 1189680067 /nfs/dbraw/zinc/68/00/67/1189680067.db2.gz UAXWPLIZGHUXIU-QGZVFWFLSA-N 0 3 395.506 0.762 20 0 GCADHN C[C@@H]1NCCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)[C@H]1C ZINC000417624971 1189692107 /nfs/dbraw/zinc/69/21/07/1189692107.db2.gz OZIYTAUWCKANLP-KBPBESRZSA-N 0 3 384.502 0.191 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2C[C@@H](C)NC[C@H]2C)c1 ZINC000417749515 1189701539 /nfs/dbraw/zinc/70/15/39/1189701539.db2.gz VGMKGVZVXWTLEY-ZIAGYGMSSA-N 0 3 384.502 0.503 20 0 GCADHN COC(=O)c1cn(C2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C2)nn1 ZINC000500079025 1189712123 /nfs/dbraw/zinc/71/21/23/1189712123.db2.gz XLMQUZYOKCIVTI-UHFFFAOYSA-N 0 3 398.467 0.660 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)nn1 ZINC000500137816 1189722889 /nfs/dbraw/zinc/72/28/89/1189722889.db2.gz VYUNKEISVIQRHE-HNNXBMFYSA-N 0 3 378.408 0.692 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CCN(C2CCCC2)CC1 ZINC000660342522 1189723161 /nfs/dbraw/zinc/72/31/61/1189723161.db2.gz KHOCXWZERMIOPY-QGZVFWFLSA-N 0 3 392.544 0.785 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)[C@H]1c1cnn(C)c1 ZINC000616717419 1189723309 /nfs/dbraw/zinc/72/33/09/1189723309.db2.gz MMYPMGXFIKPADZ-JFRXWTBNSA-N 0 3 389.500 0.842 20 0 GCADHN C[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000418155964 1189729805 /nfs/dbraw/zinc/72/98/05/1189729805.db2.gz AECAMDNYUHWEGN-VXGBXAGGSA-N 0 3 390.456 0.869 20 0 GCADHN COc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CNCCO3)C2=O)c(OC)c1 ZINC000418192771 1189734934 /nfs/dbraw/zinc/73/49/34/1189734934.db2.gz CCSLWSFFVWXVKF-CVEARBPZSA-N 0 3 392.456 0.092 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CCO[C@H](C[NH3+])C2)CCCC1 ZINC000364304113 1189739951 /nfs/dbraw/zinc/73/99/51/1189739951.db2.gz LELFHTXYIGVPEU-CYBMUJFWSA-N 0 3 386.474 0.069 20 0 GCADHN CC(=O)N[C@@]1(c2nc(C)cs2)CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000617597547 1189741107 /nfs/dbraw/zinc/74/11/07/1189741107.db2.gz INORNVOYKSZOJZ-YJBOKZPZSA-N 0 3 377.514 0.405 20 0 GCADHN CN1CCS(=O)(=O)C[C@H]1CC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617974703 1189748906 /nfs/dbraw/zinc/74/89/06/1189748906.db2.gz XFEVAYYLFQMYPC-GOSISDBHSA-N 0 3 394.541 0.529 20 0 GCADHN CN1CCN(CCCNC(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](c2ccccc2)C1 ZINC000298276158 1189754881 /nfs/dbraw/zinc/75/48/81/1189754881.db2.gz GTQFGMBYGZUAQU-DLBZAZTESA-N 0 3 387.484 0.470 20 0 GCADHN CC(C)[C@@](C)(O)CNc1nc(NC[C@@](C)(O)C(C)C)nc(N2CCOCC2)n1 ZINC000500274477 1189757599 /nfs/dbraw/zinc/75/75/99/1189757599.db2.gz CUTGDUSJCNKCBE-KDURUIRLSA-N 0 3 396.536 0.190 20 0 GCADHN CCN1CCN(Cc2ccc(CNS(=O)(=O)N3CCCOCC3)cc2)CC1 ZINC000651519135 1189759643 /nfs/dbraw/zinc/75/96/43/1189759643.db2.gz CPXKAYGVHHRIAW-UHFFFAOYSA-N 0 3 396.557 0.881 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000364352856 1189764123 /nfs/dbraw/zinc/76/41/23/1189764123.db2.gz KVXPJWGENJHXJO-KDOFPFPSSA-N 0 3 380.489 0.593 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000046862770 1189768797 /nfs/dbraw/zinc/76/87/97/1189768797.db2.gz RNVSXCKYHOVWDT-CQSZACIVSA-N 0 3 384.502 0.497 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000364395932 1189782016 /nfs/dbraw/zinc/78/20/16/1189782016.db2.gz CCISVSVWSWVQQY-MRXNPFEDSA-N 0 3 394.497 0.149 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=S)NCCCN2CCOCC2)CC1 ZINC000728794050 1189782379 /nfs/dbraw/zinc/78/23/79/1189782379.db2.gz WHXMTLKTWWESPL-UHFFFAOYSA-N 0 3 385.578 0.069 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000660407205 1189783058 /nfs/dbraw/zinc/78/30/58/1189783058.db2.gz IUCDJCSSORZRFV-QGZVFWFLSA-N 0 3 390.528 0.934 20 0 GCADHN CN1CCN(CCCNC(=O)N2C[C@H](O)C[C@H]2CO)[C@H](c2ccccc2)C1 ZINC000364399320 1189784578 /nfs/dbraw/zinc/78/45/78/1189784578.db2.gz XYOQIVDMBWGWIT-OTWHNJEPSA-N 0 3 376.501 0.502 20 0 GCADHN CC(C)(C)OC(=O)N1CC(CC(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909325610 1189787180 /nfs/dbraw/zinc/78/71/80/1189787180.db2.gz RRXCKIQPQJNRRV-UHFFFAOYSA-N 0 3 382.505 0.962 20 0 GCADHN CCS(=O)(=O)c1ccccc1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909327925 1189796567 /nfs/dbraw/zinc/79/65/67/1189796567.db2.gz PGWLRXVEEQVAPB-UHFFFAOYSA-N 0 3 381.498 0.812 20 0 GCADHN O=C(CNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)NCCN1CCCCC1 ZINC000909328317 1189798020 /nfs/dbraw/zinc/79/80/20/1189798020.db2.gz ISJOXMCVORRUGC-INIZCTEOSA-N 0 3 378.517 0.886 20 0 GCADHN COc1cccc(C(=O)NCC(=O)NCC(=O)NCCN2CCCCC2)c1 ZINC000909328730 1189798173 /nfs/dbraw/zinc/79/81/73/1189798173.db2.gz OKIHRXWTSVMLRB-UHFFFAOYSA-N 0 3 376.457 0.143 20 0 GCADHN O=C(CNC(=O)c1cc(N2CCOCC2)ccn1)NCCN1CCCCC1 ZINC000909328420 1189798220 /nfs/dbraw/zinc/79/82/20/1189798220.db2.gz WRPAEKAHYIRIOE-UHFFFAOYSA-N 0 3 375.473 0.250 20 0 GCADHN O=C(CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)NCCN1CCCCC1 ZINC000909329543 1189801673 /nfs/dbraw/zinc/80/16/73/1189801673.db2.gz VTMAOHWWJDHDHB-LBPRGKRZSA-N 0 3 378.395 0.116 20 0 GCADHN CCC[C@H](C)C(=O)NCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000458809431 1189808069 /nfs/dbraw/zinc/80/80/69/1189808069.db2.gz AITOKTXCYZNPJC-JKSUJKDBSA-N 0 3 381.521 0.487 20 0 GCADHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cn2ncn3nccc3c2=O)cc1 ZINC000500409089 1189816415 /nfs/dbraw/zinc/81/64/15/1189816415.db2.gz LGXIPHQDNJRDLQ-KRWDZBQOSA-N 0 3 396.451 0.853 20 0 GCADHN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(CCC(C)(C)C)CC2)cn1C ZINC000511683647 1189832954 /nfs/dbraw/zinc/83/29/54/1189832954.db2.gz WVUOIEDBGBTAKV-UHFFFAOYSA-N 0 3 385.534 0.587 20 0 GCADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000660470266 1189843494 /nfs/dbraw/zinc/84/34/94/1189843494.db2.gz KPJNKMCQAPIHFE-KRWDZBQOSA-N 0 3 389.500 0.449 20 0 GCADHN CCc1cc(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)n[nH]1 ZINC000106041316 1189844179 /nfs/dbraw/zinc/84/41/79/1189844179.db2.gz HVJMJTBDBFVAPG-UHFFFAOYSA-N 0 3 376.505 0.283 20 0 GCADHN CNC(=O)[C@H](NC(=O)CN1CCC[C@@H](N2CCOCC2)CC1)c1ccccc1 ZINC000660475300 1189846669 /nfs/dbraw/zinc/84/66/69/1189846669.db2.gz VXKVRATYHVYQBU-UYAOXDASSA-N 0 3 388.512 0.777 20 0 GCADHN CNC(=O)[C@H](NC(=O)CN1CCC[C@H](N2CCOCC2)CC1)c1ccccc1 ZINC000660475295 1189847122 /nfs/dbraw/zinc/84/71/22/1189847122.db2.gz VXKVRATYHVYQBU-AZUAARDMSA-N 0 3 388.512 0.777 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cccc3c2OCCCO3)C1 ZINC000651546389 1189860538 /nfs/dbraw/zinc/86/05/38/1189860538.db2.gz ROFIRVYJRWYAJP-CQSZACIVSA-N 0 3 397.497 0.714 20 0 GCADHN C[C@@H](CNC(=O)NCCN1CC[C@H](O)C1)N1CCN(c2ccccc2)CC1 ZINC000636567035 1189862512 /nfs/dbraw/zinc/86/25/12/1189862512.db2.gz UIPBCYRWPLVSAN-HKUYNNGSSA-N 0 3 375.517 0.563 20 0 GCADHN CCNC(=O)COc1cccc(CNC(=O)CCN2CCN(CC)CC2)c1 ZINC000511788072 1189878622 /nfs/dbraw/zinc/87/86/22/1189878622.db2.gz QAJWPXFBAFJZPP-UHFFFAOYSA-N 0 3 376.501 0.845 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000466932791 1189878938 /nfs/dbraw/zinc/87/89/38/1189878938.db2.gz MDPQMRXDYOKQIY-SJLPKXTDSA-N 0 3 377.533 0.809 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC000974717943 1189880833 /nfs/dbraw/zinc/88/08/33/1189880833.db2.gz DCCYBUUXMBPJJC-HZMVEIRTSA-N 0 3 379.501 0.724 20 0 GCADHN CC(C)(CNC(=O)NCC1CCN(Cc2ccncc2)CC1)NS(C)(=O)=O ZINC000660627522 1189917945 /nfs/dbraw/zinc/91/79/45/1189917945.db2.gz DXNUEZHDMVCORP-UHFFFAOYSA-N 0 3 397.545 0.921 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000198409275 1189918674 /nfs/dbraw/zinc/91/86/74/1189918674.db2.gz ODIPANZNYVWHNX-UHFFFAOYSA-N 0 3 399.513 0.879 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2c2nccs2)CC1 ZINC000247220106 1189924214 /nfs/dbraw/zinc/92/42/14/1189924214.db2.gz WJARGMXWUFRCRH-HUUCEWRRSA-N 0 3 377.514 0.877 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC000975216034 1189927427 /nfs/dbraw/zinc/92/74/27/1189927427.db2.gz VTSDSBIMQHJTHJ-NRSFXHEJSA-N 0 3 384.480 0.543 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NC(c1nccn1C)c1nccn1C ZINC000636659376 1189947280 /nfs/dbraw/zinc/94/72/80/1189947280.db2.gz CHWYHUWQQKLAJO-CQSZACIVSA-N 0 3 387.488 0.350 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000636662295 1189953902 /nfs/dbraw/zinc/95/39/02/1189953902.db2.gz MUGSFUGVSNQSST-RYUDHWBXSA-N 0 3 376.383 0.488 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000049278778 1189954639 /nfs/dbraw/zinc/95/46/39/1189954639.db2.gz MJLFELXPHLRMES-UHFFFAOYSA-N 0 3 376.457 0.474 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000660852845 1189956288 /nfs/dbraw/zinc/95/62/88/1189956288.db2.gz JHPOGPTUWXSIQJ-JYJNAYRXSA-N 0 3 379.505 0.239 20 0 GCADHN C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000660869606 1189961656 /nfs/dbraw/zinc/96/16/56/1189961656.db2.gz NNFNGWULDRXYAX-SOUVJXGZSA-N 0 3 377.514 0.511 20 0 GCADHN CCCc1nnc([C@@H]2CN(C(=O)C(=O)N3CCN(C)[C@H](C(C)C)C3)CCO2)[nH]1 ZINC000660983172 1189976586 /nfs/dbraw/zinc/97/65/86/1189976586.db2.gz YNUUXNQPSJZBTA-GJZGRUSLSA-N 0 3 392.504 0.456 20 0 GCADHN CCCc1nc([C@@H]2CN(C(=O)C(=O)N3CCN(C)[C@H](C(C)C)C3)CCO2)n[nH]1 ZINC000660983172 1189976588 /nfs/dbraw/zinc/97/65/88/1189976588.db2.gz YNUUXNQPSJZBTA-GJZGRUSLSA-N 0 3 392.504 0.456 20 0 GCADHN CCCc1n[nH]c([C@@H]2CN(C(=O)C(=O)N3CCN(C)[C@H](C(C)C)C3)CCO2)n1 ZINC000660983172 1189976589 /nfs/dbraw/zinc/97/65/89/1189976589.db2.gz YNUUXNQPSJZBTA-GJZGRUSLSA-N 0 3 392.504 0.456 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC12CCC2 ZINC000660993844 1189979455 /nfs/dbraw/zinc/97/94/55/1189979455.db2.gz KEPJNCWSVHCLKG-SJORKVTESA-N 0 3 390.528 0.790 20 0 GCADHN COCCCN(CCO)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000661074165 1189988647 /nfs/dbraw/zinc/98/86/47/1189988647.db2.gz LTJVURSALUHQHW-GOSISDBHSA-N 0 3 377.485 0.577 20 0 GCADHN COCCCN(CCO)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000661074169 1189988882 /nfs/dbraw/zinc/98/88/82/1189988882.db2.gz LTJVURSALUHQHW-SFHVURJKSA-N 0 3 377.485 0.577 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2cccc(N(C)C)n2)CC1 ZINC000164301117 1189993265 /nfs/dbraw/zinc/99/32/65/1189993265.db2.gz VJXIJJKFXSZXSR-UHFFFAOYSA-N 0 3 376.505 0.843 20 0 GCADHN CCN(CCOCCO)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000661126648 1189994762 /nfs/dbraw/zinc/99/47/62/1189994762.db2.gz OWYKDKGMPWYUDJ-SFHVURJKSA-N 0 3 377.485 0.577 20 0 GCADHN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000893428146 1189999030 /nfs/dbraw/zinc/99/90/30/1189999030.db2.gz BCRGHAKAQSZWSQ-INIZCTEOSA-N 0 3 378.517 0.966 20 0 GCADHN CN(CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]21)C1CCC1 ZINC000976027959 1189999735 /nfs/dbraw/zinc/99/97/35/1189999735.db2.gz XPHDQYFCRQKBIT-DFGXFYAUSA-N 0 3 390.528 0.822 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N(CCO)C2CCOCC2)C1 ZINC000661161999 1190004371 /nfs/dbraw/zinc/00/43/71/1190004371.db2.gz CFJUSQFMBZUNRS-LJQANCHMSA-N 0 3 389.496 0.719 20 0 GCADHN C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCC(C(N)=O)(N3CCCCC3)CC1)CS2 ZINC000893429994 1190006928 /nfs/dbraw/zinc/00/69/28/1190006928.db2.gz XZCSIZNMKWKSSO-KBXCAEBGSA-N 0 3 394.541 0.773 20 0 GCADHN CCN1CCN(C(=O)[C@H](C)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000661178957 1190008892 /nfs/dbraw/zinc/00/88/92/1190008892.db2.gz CYMYKGUHOAPIPX-YTQUADARSA-N 0 3 398.507 0.656 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C(C)C)cc1 ZINC000662746483 1190015788 /nfs/dbraw/zinc/01/57/88/1190015788.db2.gz LOGXVWHKEZADJL-OAGGEKHMSA-N 0 3 387.477 0.896 20 0 GCADHN COc1ccccc1[C@@](N)(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(F)(F)F ZINC000662748836 1190016937 /nfs/dbraw/zinc/01/69/37/1190016937.db2.gz DNQIUJZNQDMQLN-OAHLLOKOSA-N 0 3 385.346 0.682 20 0 GCADHN CC(=O)N[C@@H](CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(F)cc1F ZINC000662751407 1190017640 /nfs/dbraw/zinc/01/76/40/1190017640.db2.gz BFFYXSSTWIWCDM-AWEZNQCLSA-N 0 3 379.367 0.803 20 0 GCADHN C[C@@H]1Cc2cc(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)ccc2N1S(C)(=O)=O ZINC000662752078 1190018834 /nfs/dbraw/zinc/01/88/34/1190018834.db2.gz GOHZZAYGSUHANF-SNVBAGLBSA-N 0 3 391.453 0.282 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCCN2c2ncnc3sccc32)n1 ZINC000662753611 1190019132 /nfs/dbraw/zinc/01/91/32/1190019132.db2.gz SUZYZGIKJKODDT-LBPRGKRZSA-N 0 3 385.453 0.931 20 0 GCADHN COc1ccc(CN2C[C@H](C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2=O)cc1 ZINC000662753608 1190019205 /nfs/dbraw/zinc/01/92/05/1190019205.db2.gz STWISBZRQXPXJK-CYBMUJFWSA-N 0 3 385.424 0.314 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 ZINC000662752921 1190019304 /nfs/dbraw/zinc/01/93/04/1190019304.db2.gz VNJNSUOFEBRKMV-SNVBAGLBSA-N 0 3 375.816 0.964 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 ZINC000662753145 1190019421 /nfs/dbraw/zinc/01/94/21/1190019421.db2.gz OFBYGUAUQKEQIP-CYBMUJFWSA-N 0 3 399.407 0.291 20 0 GCADHN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)C1(O)CNC1 ZINC000662755947 1190020076 /nfs/dbraw/zinc/02/00/76/1190020076.db2.gz DNGRPNLQENQGBV-UHFFFAOYSA-N 0 3 380.492 0.959 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2nn(C)c(C)c2CN)cc1 ZINC000662835777 1190046129 /nfs/dbraw/zinc/04/61/29/1190046129.db2.gz OGBRHFQICWWEOP-UHFFFAOYSA-N 0 3 379.442 0.307 20 0 GCADHN Cc1c(CN)c(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)nn1C ZINC000662834594 1190047176 /nfs/dbraw/zinc/04/71/76/1190047176.db2.gz BPVYMFCMNKCVLZ-UHFFFAOYSA-N 0 3 385.472 0.650 20 0 GCADHN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2nn(C)c(C)c2CN)c1 ZINC000662836890 1190047916 /nfs/dbraw/zinc/04/79/16/1190047916.db2.gz GVTIABVSYLSFCR-UHFFFAOYSA-N 0 3 393.469 0.697 20 0 GCADHN COCCNS(=O)(=O)c1cccc(C(=O)Nc2nn(C)c(C)c2CN)c1 ZINC000662838016 1190048845 /nfs/dbraw/zinc/04/88/45/1190048845.db2.gz JEZIVJUFXZUSRY-UHFFFAOYSA-N 0 3 381.458 0.364 20 0 GCADHN COc1ccc(C(=O)Nc2nn(C)c(C)c2CN)cc1S(=O)(=O)NC1CC1 ZINC000662837847 1190049107 /nfs/dbraw/zinc/04/91/07/1190049107.db2.gz HOKUHCTUZZFSRK-UHFFFAOYSA-N 0 3 393.469 0.889 20 0 GCADHN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000647711801 1190056440 /nfs/dbraw/zinc/05/64/40/1190056440.db2.gz GUXKLIAWXFTLTQ-QZTJIDSGSA-N 0 3 389.496 0.877 20 0 GCADHN C[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H]1CCO ZINC000661483573 1190057094 /nfs/dbraw/zinc/05/70/94/1190057094.db2.gz CGPDGXGVNLHQTL-IAGOWNOFSA-N 0 3 382.549 0.528 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCO[C@H]3CC3(F)F)C2)CC1 ZINC000595174358 1190066748 /nfs/dbraw/zinc/06/67/48/1190066748.db2.gz TVGUCCJQBXXSQU-CABCVRRESA-N 0 3 388.459 0.154 20 0 GCADHN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246482714 1193721124 /nfs/dbraw/zinc/72/11/24/1193721124.db2.gz AGCUTBHFUIMNDW-DLBZAZTESA-N 0 3 384.488 0.517 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)N(C)[C@H]3CCN(C(C)C)C3)CC2)n1 ZINC000411033519 1193724338 /nfs/dbraw/zinc/72/43/38/1193724338.db2.gz WEENAJYDYKFDSL-AWEZNQCLSA-N 0 3 394.545 0.690 20 0 GCADHN C#CCN1CCC(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000067128394 1193725678 /nfs/dbraw/zinc/72/56/78/1193725678.db2.gz WYWIJNJZLOITPD-UHFFFAOYSA-N 0 3 398.872 0.094 20 0 GCADHN CC(=O)Nc1cccc(OCCNC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000663989922 1193747909 /nfs/dbraw/zinc/74/79/09/1193747909.db2.gz DCLKGFGNIJOUQB-UHFFFAOYSA-N 0 3 393.488 0.685 20 0 GCADHN O=C(NCCCCN1CCN(c2ncccn2)CC1)NCCCc1nc[nH]n1 ZINC000663989671 1193747931 /nfs/dbraw/zinc/74/79/31/1193747931.db2.gz ACXNFAZYRKROEG-UHFFFAOYSA-N 0 3 387.492 0.429 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(F)c2C(=O)OC)CC1 ZINC000512751286 1193751786 /nfs/dbraw/zinc/75/17/86/1193751786.db2.gz XHFXLCNUHHFMCD-CYBMUJFWSA-N 0 3 394.447 0.693 20 0 GCADHN COCCOc1ccc(CNC(=O)CN2CCNC[C@@H]2c2nccn2C)cc1 ZINC000261711677 1193754941 /nfs/dbraw/zinc/75/49/41/1193754941.db2.gz HHGJYZHKVXMPGU-GOSISDBHSA-N 0 3 387.484 0.708 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)N1CCc2ccccc2C1 ZINC000419240227 1193755107 /nfs/dbraw/zinc/75/51/07/1193755107.db2.gz QZNRBGGFRUYDEI-VKJFTORMSA-N 0 3 388.512 0.779 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](CO)CC(F)F)cc2)CC1 ZINC000429857822 1193757202 /nfs/dbraw/zinc/75/72/02/1193757202.db2.gz CQDLZVUXRGDTCL-MRXNPFEDSA-N 0 3 398.454 0.895 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](CO)CC(F)F)cc2)CC1 ZINC000429857820 1193757481 /nfs/dbraw/zinc/75/74/81/1193757481.db2.gz CQDLZVUXRGDTCL-INIZCTEOSA-N 0 3 398.454 0.895 20 0 GCADHN CC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c2ccccc21 ZINC000419244174 1193758608 /nfs/dbraw/zinc/75/86/08/1193758608.db2.gz JWIWPNKBEOZPMG-UHOFOFEASA-N 0 3 388.468 0.830 20 0 GCADHN CC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c2ccccc21 ZINC000419244172 1193758877 /nfs/dbraw/zinc/75/88/77/1193758877.db2.gz JWIWPNKBEOZPMG-KCXAZCMYSA-N 0 3 388.468 0.830 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc3nc(N(C)C)oc3c2)CC1 ZINC000512764489 1193760513 /nfs/dbraw/zinc/76/05/13/1193760513.db2.gz HIJDFYCPXQNELS-UHFFFAOYSA-N 0 3 388.472 0.586 20 0 GCADHN CN(CCN1CCN(C(=O)C(=O)NCCn2cccc2)CC1)Cc1ccccc1 ZINC000512773944 1193763210 /nfs/dbraw/zinc/76/32/10/1193763210.db2.gz UFQHZOZVCPUKNV-UHFFFAOYSA-N 0 3 397.523 0.881 20 0 GCADHN COc1cc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc(OC)c1 ZINC000473479257 1193772570 /nfs/dbraw/zinc/77/25/70/1193772570.db2.gz HTSOTICUFRKGKG-AWEZNQCLSA-N 0 3 378.473 0.785 20 0 GCADHN CNC(=O)c1ccc(C)c(NC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000512807628 1193773692 /nfs/dbraw/zinc/77/36/92/1193773692.db2.gz IQCKZFULQARBQL-UHFFFAOYSA-N 0 3 391.516 0.866 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1 ZINC000419266625 1193777461 /nfs/dbraw/zinc/77/74/61/1193777461.db2.gz HEOWFGHPPPMWCG-HXUWFJFHSA-N 0 3 396.491 0.951 20 0 GCADHN COC(=O)CC1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512814719 1193778082 /nfs/dbraw/zinc/77/80/82/1193778082.db2.gz ONZNMVVKYSSEDJ-UHFFFAOYSA-N 0 3 384.521 0.361 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC000509813205 1193782643 /nfs/dbraw/zinc/78/26/43/1193782643.db2.gz VPNDANVWPYLVOP-ZDUSSCGKSA-N 0 3 398.529 0.909 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000509812376 1193782679 /nfs/dbraw/zinc/78/26/79/1193782679.db2.gz SXDWJSSGXNKKAD-NSHDSACASA-N 0 3 386.449 0.370 20 0 GCADHN O=C(N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)C(=O)N1CCCNCC1 ZINC000419282411 1193783510 /nfs/dbraw/zinc/78/35/10/1193783510.db2.gz YHMBXVSUKPZZAW-ZDUSSCGKSA-N 0 3 398.385 0.749 20 0 GCADHN COc1ccc(CNC(=O)C2CCN(C(=O)C[C@@H]3CNCCO3)CC2)cc1 ZINC000429890299 1193784487 /nfs/dbraw/zinc/78/44/87/1193784487.db2.gz KCEBPAFFQDZLBT-GOSISDBHSA-N 0 3 375.469 0.929 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000473483926 1193787166 /nfs/dbraw/zinc/78/71/66/1193787166.db2.gz VYFZUVCREUHZBN-CQSZACIVSA-N 0 3 387.484 0.652 20 0 GCADHN CC(C)(C)C(=O)N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512837996 1193787289 /nfs/dbraw/zinc/78/72/89/1193787289.db2.gz LHEGSQCPLLDKDG-UHFFFAOYSA-N 0 3 397.564 0.276 20 0 GCADHN Cc1cc(NC(=O)CN2CCN(C(=O)c3ccccc3CN(C)C)CC2)no1 ZINC000433231828 1193789056 /nfs/dbraw/zinc/78/90/56/1193789056.db2.gz YQPGDSCOLLWPMI-UHFFFAOYSA-N 0 3 385.468 1.441 20 0 GCADHN COc1ccc(COCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419297653 1193793038 /nfs/dbraw/zinc/79/30/38/1193793038.db2.gz FNAXZVZFMJOYMH-CJNGLKHVSA-N 0 3 379.457 0.557 20 0 GCADHN COc1ccc(COCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419297655 1193793254 /nfs/dbraw/zinc/79/32/54/1193793254.db2.gz FNAXZVZFMJOYMH-XJKSGUPXSA-N 0 3 379.457 0.557 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000473485311 1193793431 /nfs/dbraw/zinc/79/34/31/1193793431.db2.gz XLJHDVPRNNNOFD-MRXNPFEDSA-N 0 3 384.484 0.953 20 0 GCADHN COCCNc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419301382 1193794434 /nfs/dbraw/zinc/79/44/34/1193794434.db2.gz NSORCXCMGWAFGT-CZUORRHYSA-N 0 3 378.473 0.590 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCNC[C@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419305339 1193797036 /nfs/dbraw/zinc/79/70/36/1193797036.db2.gz WMLJEXLGIUDXLD-HUUCEWRRSA-N 0 3 391.491 0.575 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1nnnn1-c1ccccc1 ZINC000419303194 1193797725 /nfs/dbraw/zinc/79/77/25/1193797725.db2.gz NSWQJLDBYOUIHX-OBJOEFQTSA-N 0 3 387.444 0.069 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1nnnn1-c1ccccc1 ZINC000419303196 1193798131 /nfs/dbraw/zinc/79/81/31/1193798131.db2.gz NSWQJLDBYOUIHX-SCRDCRAPSA-N 0 3 387.444 0.069 20 0 GCADHN COc1cccc(C(=O)N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)c1OC ZINC000429924563 1193802632 /nfs/dbraw/zinc/80/26/32/1193802632.db2.gz ZACSAKNEOBBCMG-CQSZACIVSA-N 0 3 377.441 0.367 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000664066813 1193805504 /nfs/dbraw/zinc/80/55/04/1193805504.db2.gz CRWFJLVIMPXDOF-UHFFFAOYSA-N 0 3 377.489 0.386 20 0 GCADHN COC(=O)c1c(F)cccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000512936764 1193806103 /nfs/dbraw/zinc/80/61/03/1193806103.db2.gz CCNAEWZQALTBJO-UHFFFAOYSA-N 0 3 380.420 0.305 20 0 GCADHN C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O)N1[C@H](C)CC[C@@H]1C ZINC000412196359 1193812062 /nfs/dbraw/zinc/81/20/62/1193812062.db2.gz DKKVOTLEQSSOBC-HPFXQQBRSA-N 0 3 388.512 0.967 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cc(F)ccc2OCCOC)CC1 ZINC000433352168 1193812528 /nfs/dbraw/zinc/81/25/28/1193812528.db2.gz LRQPBLVNVNECRY-UHFFFAOYSA-N 0 3 389.493 0.767 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433353684 1193812607 /nfs/dbraw/zinc/81/26/07/1193812607.db2.gz MCLYYZMDTGWUEX-CHWSQXEVSA-N 0 3 385.486 0.483 20 0 GCADHN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCCN2CCN(CC)CC2)c1C ZINC000433363567 1193816287 /nfs/dbraw/zinc/81/62/87/1193816287.db2.gz HTMYNTBGANNDIQ-UHFFFAOYSA-N 0 3 386.518 0.724 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000419330981 1193823053 /nfs/dbraw/zinc/82/30/53/1193823053.db2.gz RFBQOFWGBATGJZ-DZGCQCFKSA-N 0 3 391.468 0.736 20 0 GCADHN CC(C)OCC(CO)N(C)C(=O)NCCN1C(=O)C2C3C=CC(C3)C2C1=O ZINC000433421917 1193832165 /nfs/dbraw/zinc/83/21/65/1193832165.db2.gz JQGIMIOFRGOPQA-ARKGTOAJSA-N 0 3 379.457 0.221 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CCN2C1=O ZINC000571344611 1193835078 /nfs/dbraw/zinc/83/50/78/1193835078.db2.gz HWTSNKPVSNNEDS-FXUDXRNXSA-N 0 3 377.489 0.121 20 0 GCADHN COc1cc(SC)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576293148 1193842766 /nfs/dbraw/zinc/84/27/66/1193842766.db2.gz JQGCFXAYAVJVOE-PWSUYJOCSA-N 0 3 378.454 0.126 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000419350607 1193843355 /nfs/dbraw/zinc/84/33/55/1193843355.db2.gz WNJDAQXURNDADD-KRWDZBQOSA-N 0 3 386.427 0.417 20 0 GCADHN Cc1csc(=O)n1CCNC/C=C\CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268569362 1193845814 /nfs/dbraw/zinc/84/58/14/1193845814.db2.gz DDGXZDWYJFMEDF-QUAXKPEESA-N 0 3 381.498 0.532 20 0 GCADHN O=C(NCc1ccnc(OC2CCCCC2)c1)C(=O)NC[C@H]1CNCCO1 ZINC000419355252 1193853163 /nfs/dbraw/zinc/85/31/63/1193853163.db2.gz FZWKUGQGTKOPDI-MRXNPFEDSA-N 0 3 376.457 0.514 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000664126407 1193856030 /nfs/dbraw/zinc/85/60/30/1193856030.db2.gz MEUYNIKCHDWMKQ-KRWDZBQOSA-N 0 3 395.529 0.442 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000576349811 1193859677 /nfs/dbraw/zinc/85/96/77/1193859677.db2.gz SRTZMTRDNIUWJQ-ZDUSSCGKSA-N 0 3 379.482 0.934 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000419363752 1193865837 /nfs/dbraw/zinc/86/58/37/1193865837.db2.gz VOQVFVPMEQVKNF-AAEUAGOBSA-N 0 3 380.514 0.910 20 0 GCADHN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000419370065 1193872359 /nfs/dbraw/zinc/87/23/59/1193872359.db2.gz JAAZWWGESSTPSK-QGZVFWFLSA-N 0 3 394.903 0.651 20 0 GCADHN C[C@@H](CO)N1CCCN(C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 ZINC000433483223 1193876965 /nfs/dbraw/zinc/87/69/65/1193876965.db2.gz JLRGJLFEHHGBIX-AWEZNQCLSA-N 0 3 390.440 0.497 20 0 GCADHN COc1ccc(-n2ccc(CNC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)n2)cc1 ZINC000571463734 1193877536 /nfs/dbraw/zinc/87/75/36/1193877536.db2.gz HCXVSCOFIAUFFS-NVXWUHKLSA-N 0 3 384.440 0.334 20 0 GCADHN O=C(NCCN1CCCOCC1)[C@@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000576438507 1193880448 /nfs/dbraw/zinc/88/04/48/1193880448.db2.gz PNAMTQZDCWRFPJ-GOSISDBHSA-N 0 3 391.516 0.856 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)cc1 ZINC000419382826 1193886885 /nfs/dbraw/zinc/88/68/85/1193886885.db2.gz IMKSSCHJZSRXKJ-VYDXJSESSA-N 0 3 395.525 0.859 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000419387305 1193897501 /nfs/dbraw/zinc/89/75/01/1193897501.db2.gz JHFQDEPNYPZEKX-TUKIKUTGSA-N 0 3 385.823 0.530 20 0 GCADHN COC(=O)[C@@H]1[C@H](CNC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1(F)F ZINC000894202009 1193902187 /nfs/dbraw/zinc/90/21/87/1193902187.db2.gz BAIAXZZUMCAGPV-RBOXIYTFSA-N 0 3 384.379 0.955 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)C3(O)CCOCC3)cc2)CC1 ZINC000729025793 1193903301 /nfs/dbraw/zinc/90/33/01/1193903301.db2.gz CKICVANUFWOPHY-UHFFFAOYSA-N 0 3 391.468 0.852 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000729053764 1193903704 /nfs/dbraw/zinc/90/37/04/1193903704.db2.gz RDQVZIMDHXWZCU-HNNXBMFYSA-N 0 3 383.493 0.413 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000729053765 1193903885 /nfs/dbraw/zinc/90/38/85/1193903885.db2.gz RDQVZIMDHXWZCU-OAHLLOKOSA-N 0 3 383.493 0.413 20 0 GCADHN CN1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000729303190 1193911556 /nfs/dbraw/zinc/91/15/56/1193911556.db2.gz FZLDKMLHGPKSIK-ZDUSSCGKSA-N 0 3 380.411 0.903 20 0 GCADHN CC(=O)N[C@@H](CC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1)C(N)=O ZINC000614446084 1193915385 /nfs/dbraw/zinc/91/53/85/1193915385.db2.gz LCPIWIUZLGHUAM-CVEARBPZSA-N 0 3 384.521 0.086 20 0 GCADHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2nc3n(n2)CCCN3)CC1 ZINC000614444497 1193915658 /nfs/dbraw/zinc/91/56/58/1193915658.db2.gz ZLLFXELFPJRNQG-OAHLLOKOSA-N 0 3 378.521 0.685 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000261623910 1193921483 /nfs/dbraw/zinc/92/14/83/1193921483.db2.gz ACPXOJBHXBWAKO-HNNXBMFYSA-N 0 3 381.440 0.589 20 0 GCADHN N[C@@H](C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261636534 1193922065 /nfs/dbraw/zinc/92/20/65/1193922065.db2.gz DDWSXXUSYJKJAN-QGZVFWFLSA-N 0 3 399.488 0.849 20 0 GCADHN N[C@@H](C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000261678259 1193923014 /nfs/dbraw/zinc/92/30/14/1193923014.db2.gz GTIIVIKGGHZRMN-HXUWFJFHSA-N 0 3 388.512 0.986 20 0 GCADHN N[C@@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCOCC1 ZINC000261720703 1193923841 /nfs/dbraw/zinc/92/38/41/1193923841.db2.gz JHYLFIWNRXUTPD-QGZVFWFLSA-N 0 3 381.498 0.841 20 0 GCADHN COc1ccc([C@@H](CNC(=O)[C@H](N)C2CCOCC2)N2CCOCC2)cc1 ZINC000261747380 1193924763 /nfs/dbraw/zinc/92/47/63/1193924763.db2.gz KYUVESZGIZSRHT-RTBURBONSA-N 0 3 377.485 0.939 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)o1 ZINC000261766918 1193925773 /nfs/dbraw/zinc/92/57/73/1193925773.db2.gz FMVBAUJZQKHDLS-NSHDSACASA-N 0 3 398.407 0.062 20 0 GCADHN N[C@H](C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCOCC1 ZINC000261872797 1193929471 /nfs/dbraw/zinc/92/94/71/1193929471.db2.gz TWBDIUFIDGYUNA-KRWDZBQOSA-N 0 3 381.498 0.415 20 0 GCADHN Cn1cc(-c2ccc(NC(=O)NC(C)(C)CCN3CCN(C)CC3)nn2)cn1 ZINC000433666704 1193931548 /nfs/dbraw/zinc/93/15/48/1193931548.db2.gz IQBYHUHASAPVKL-UHFFFAOYSA-N 0 3 386.504 1.415 20 0 GCADHN COc1ccccc1[C@H]1CNCCN1C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000262034254 1193936932 /nfs/dbraw/zinc/93/69/32/1193936932.db2.gz SQIYUPNZXGIGPP-CQSZACIVSA-N 0 3 381.440 0.971 20 0 GCADHN COc1ccc(Cl)cc1NC(=O)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262063400 1193937865 /nfs/dbraw/zinc/93/78/65/1193937865.db2.gz JIHOOUZCGBWYIP-INIZCTEOSA-N 0 3 384.864 0.893 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000262079715 1193938151 /nfs/dbraw/zinc/93/81/51/1193938151.db2.gz KNVCAKOMCNZDGC-YJYMSZOUSA-N 0 3 390.484 0.621 20 0 GCADHN Cc1ccc(OCC(=O)N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)cc1 ZINC000262077990 1193938337 /nfs/dbraw/zinc/93/83/37/1193938337.db2.gz KLCIHKGOJDOBJB-IBGZPJMESA-N 0 3 390.484 0.144 20 0 GCADHN C[C@@H](Sc1nnnn1C1CC1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000513434566 1193951039 /nfs/dbraw/zinc/95/10/39/1193951039.db2.gz OEMXYKMEMFAXPN-TZMCWYRMSA-N 0 3 395.533 0.548 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000513438101 1193951487 /nfs/dbraw/zinc/95/14/87/1193951487.db2.gz GNEWVJWRZZSUND-LBPRGKRZSA-N 0 3 375.395 0.961 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000513439840 1193951868 /nfs/dbraw/zinc/95/18/68/1193951868.db2.gz PEWLWFZLWAPTNE-XHSDSOJGSA-N 0 3 392.500 0.221 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000513442925 1193952083 /nfs/dbraw/zinc/95/20/83/1193952083.db2.gz DSKXOHCKLHBECG-QWHCGFSZSA-N 0 3 392.422 0.456 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(CCO)CC[C@@H]2c2ccc(F)cc2)O1 ZINC001087465558 1193952707 /nfs/dbraw/zinc/95/27/07/1193952707.db2.gz VOKVUCAIEHAXPH-UTRMSSBJSA-N 0 3 379.476 0.811 20 0 GCADHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C12CCC2 ZINC000513468968 1193954298 /nfs/dbraw/zinc/95/42/98/1193954298.db2.gz LXKRXEVQJXPJEU-IAGOWNOFSA-N 0 3 380.533 0.546 20 0 GCADHN CCS(=O)(=O)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000413830095 1193956062 /nfs/dbraw/zinc/95/60/62/1193956062.db2.gz HPAIEXQCDRISDO-ROUUACIJSA-N 0 3 397.541 0.993 20 0 GCADHN CSCC[C@H](NC(=O)COC1CNC1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000430022503 1193959943 /nfs/dbraw/zinc/95/99/43/1193959943.db2.gz OSMOMZXKZXOISD-LBPRGKRZSA-N 0 3 394.453 0.698 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000263113279 1193962155 /nfs/dbraw/zinc/96/21/55/1193962155.db2.gz FEKVQDHLRUCWOX-IBGZPJMESA-N 0 3 389.500 0.041 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000513587138 1193964547 /nfs/dbraw/zinc/96/45/47/1193964547.db2.gz VCGHRHXBHDFRMT-GVDBMIGSSA-N 0 3 380.533 0.402 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c(C)c1 ZINC000279978037 1193972034 /nfs/dbraw/zinc/97/20/34/1193972034.db2.gz PIPUATKBOJPEOS-CQSZACIVSA-N 0 3 376.457 0.468 20 0 GCADHN C[C@@H](CNCC(=O)NC(=O)Nc1ccccc1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268696269 1193973367 /nfs/dbraw/zinc/97/33/67/1193973367.db2.gz LFWBEOWRNXBBGU-JHMDWKRSSA-N 0 3 386.452 0.852 20 0 GCADHN C[C@H](CNC(=O)N[C@@H](c1nccn1C)C(C)(C)CO)CN1CCN(C)CC1 ZINC000664220965 1193973379 /nfs/dbraw/zinc/97/33/79/1193973379.db2.gz ONJFGMUUYLREJQ-CVEARBPZSA-N 0 3 380.537 0.662 20 0 GCADHN C[C@H](CNC(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1)CN1CCN(C)CC1 ZINC000664221373 1193976814 /nfs/dbraw/zinc/97/68/14/1193976814.db2.gz PPJHBJWWDXUPKE-FGTMMUONSA-N 0 3 382.549 0.879 20 0 GCADHN C[C@@]1(O)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000280136506 1193976891 /nfs/dbraw/zinc/97/68/91/1193976891.db2.gz QVTUJSUYGMOTKT-LJQANCHMSA-N 0 3 395.525 0.756 20 0 GCADHN Cc1c(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cccc1N1C(=O)CNC1=O ZINC000280265802 1193982412 /nfs/dbraw/zinc/98/24/12/1193982412.db2.gz QKYUQINSUZKSBV-CYBMUJFWSA-N 0 3 387.440 0.400 20 0 GCADHN CS[C@H]1CN(C(=O)c2cn(Cc3noc(C)n3)nn2)C[C@@H]1N1CCCC1 ZINC000280274198 1193984783 /nfs/dbraw/zinc/98/47/83/1193984783.db2.gz OSYIPYSWSGXUQH-KBPBESRZSA-N 0 3 377.474 0.670 20 0 GCADHN COC[C@H](CO)NC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000280360097 1193990740 /nfs/dbraw/zinc/99/07/40/1193990740.db2.gz GDNKTUPHYIVOAC-KRWDZBQOSA-N 0 3 392.500 0.587 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cnc(C(C)C)nc2)CC1 ZINC000280395784 1193992464 /nfs/dbraw/zinc/99/24/64/1193992464.db2.gz QTKQCVAIAXYDHL-HNNXBMFYSA-N 0 3 376.505 0.928 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000280476950 1193998862 /nfs/dbraw/zinc/99/88/62/1193998862.db2.gz PHTBFJVNYWAQSS-UIAACRFSSA-N 0 3 399.495 0.955 20 0 GCADHN CNC(=O)[C@]1(C)CCN([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000280528776 1194001742 /nfs/dbraw/zinc/00/17/42/1194001742.db2.gz CTYLTJNLZGTIOJ-HXPMCKFVSA-N 0 3 390.440 0.952 20 0 GCADHN O=S(=O)(c1ccc(OCCN2CCC[C@@H](CO)C2)cc1)N1CCOCC1 ZINC000280659230 1194011065 /nfs/dbraw/zinc/01/10/65/1194011065.db2.gz FGLKWXGGHLVAOD-MRXNPFEDSA-N 0 3 384.498 0.791 20 0 GCADHN C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@@](C)(C(N)=O)C1 ZINC000280693592 1194013062 /nfs/dbraw/zinc/01/30/62/1194013062.db2.gz HVSZVPVUZXWKKC-BBATYDOGSA-N 0 3 376.413 0.692 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(CCCO)Cc1ccccn1 ZINC000280752050 1194017282 /nfs/dbraw/zinc/01/72/82/1194017282.db2.gz CSZYCWSSQUPORX-SFHVURJKSA-N 0 3 391.516 0.918 20 0 GCADHN COc1cc(OC)cc(OCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419406971 1194021734 /nfs/dbraw/zinc/02/17/34/1194021734.db2.gz VYCNAGKWNLAZQN-LRDDRELGSA-N 0 3 395.456 0.428 20 0 GCADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419411309 1194029254 /nfs/dbraw/zinc/02/92/54/1194029254.db2.gz BMCSWEBHZGWTHD-HNAYVOBHSA-N 0 3 384.480 0.793 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)N(C)c1ccccc1 ZINC000419411636 1194029971 /nfs/dbraw/zinc/02/99/71/1194029971.db2.gz QDTRBLAMPZLGJP-CRAIPNDOSA-N 0 3 399.499 0.541 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC2(C(N)=O)CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000501018096 1194035082 /nfs/dbraw/zinc/03/50/82/1194035082.db2.gz LDFIGOXXORXQCH-UHFFFAOYSA-N 0 3 387.484 0.598 20 0 GCADHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419443871 1194035643 /nfs/dbraw/zinc/03/56/43/1194035643.db2.gz XIKSHEKSKRKZAP-ZIAGYGMSSA-N 0 3 396.875 0.148 20 0 GCADHN COc1cccc(COCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419471886 1194038684 /nfs/dbraw/zinc/03/86/84/1194038684.db2.gz GKPYHAGMNHLCGB-XJKSGUPXSA-N 0 3 379.457 0.557 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C)o2)C1=O ZINC000501042570 1194039271 /nfs/dbraw/zinc/03/92/71/1194039271.db2.gz XXWRERWBNCWVMY-MRXNPFEDSA-N 0 3 394.472 0.825 20 0 GCADHN COC(=O)c1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000419476005 1194039955 /nfs/dbraw/zinc/03/99/55/1194039955.db2.gz NTZQNWFVTXPYMM-BXUZGUMPSA-N 0 3 393.440 0.327 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1=O ZINC000501037772 1194043013 /nfs/dbraw/zinc/04/30/13/1194043013.db2.gz VKDFJZHZSWYARJ-MRXNPFEDSA-N 0 3 380.489 0.810 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)C1=O ZINC000501037442 1194043266 /nfs/dbraw/zinc/04/32/66/1194043266.db2.gz TZRGVTYIXNNDSM-HNNXBMFYSA-N 0 3 382.505 0.914 20 0 GCADHN C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419522059 1194053734 /nfs/dbraw/zinc/05/37/34/1194053734.db2.gz PBIGHFXBYHJDGB-HYVNUMGLSA-N 0 3 392.504 0.612 20 0 GCADHN C[C@H](C(=O)NCCc1ccccc1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000501096861 1194055546 /nfs/dbraw/zinc/05/55/46/1194055546.db2.gz JLLLTXLBILHTHK-GOSISDBHSA-N 0 3 375.513 0.893 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C12CCC2 ZINC000419538838 1194055677 /nfs/dbraw/zinc/05/56/77/1194055677.db2.gz FMHDHSAGMZTVQR-OWCLPIDISA-N 0 3 390.488 0.364 20 0 GCADHN COc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419566857 1194062505 /nfs/dbraw/zinc/06/25/05/1194062505.db2.gz HKMBPLKOEFOUKV-WWGRRREGSA-N 0 3 379.457 0.808 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)ccc1OC ZINC000419571553 1194063391 /nfs/dbraw/zinc/06/33/91/1194063391.db2.gz GCGHGWUXVLUZGW-INIZCTEOSA-N 0 3 385.420 0.914 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(=O)N1c1ccccc1 ZINC000664233381 1194063699 /nfs/dbraw/zinc/06/36/99/1194063699.db2.gz MXQLMBCONDWVND-WBVHZDCISA-N 0 3 389.500 0.842 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)ccc1OC ZINC000419595842 1194068169 /nfs/dbraw/zinc/06/81/69/1194068169.db2.gz MKRWHVZIKSZNAY-FZMZJTMJSA-N 0 3 393.440 0.327 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)CCC2 ZINC000419629666 1194072025 /nfs/dbraw/zinc/07/20/25/1194072025.db2.gz RQQBYWVZVZXSHR-NWANDNLSSA-N 0 3 393.488 0.252 20 0 GCADHN COc1ccccc1O[C@H](C)CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419612658 1194073416 /nfs/dbraw/zinc/07/34/16/1194073416.db2.gz MJQSAAFJGWITGT-MCIONIFRSA-N 0 3 379.457 0.808 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000419655409 1194074637 /nfs/dbraw/zinc/07/46/37/1194074637.db2.gz SVEYCGDOORYUAL-SDDRHHMPSA-N 0 3 380.411 0.216 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000419672812 1194079376 /nfs/dbraw/zinc/07/93/76/1194079376.db2.gz GPVXGPLGFHAHTL-MISXGVKJSA-N 0 3 390.440 0.424 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCC3Cc4ccccc4C3)C2)nn1 ZINC000419702563 1194082611 /nfs/dbraw/zinc/08/26/11/1194082611.db2.gz VGQKOFQFVNQEIR-IBGZPJMESA-N 0 3 396.495 0.822 20 0 GCADHN COc1ccc(OC)c(CCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419697901 1194087723 /nfs/dbraw/zinc/08/77/23/1194087723.db2.gz OYYZEDUWOHCVLQ-CJNGLKHVSA-N 0 3 393.484 0.982 20 0 GCADHN CC1(CNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)Cc2ccccc2C1 ZINC000419731565 1194089776 /nfs/dbraw/zinc/08/97/76/1194089776.db2.gz REKOBDACIMPEBR-GOSISDBHSA-N 0 3 396.495 0.822 20 0 GCADHN Cn1cc(CCNC(=O)C(=O)NC[C@H]2CNCCO2)c2ccc(Cl)cc21 ZINC000419712348 1194091181 /nfs/dbraw/zinc/09/11/81/1194091181.db2.gz PCJHNHYSDPAJSG-CQSZACIVSA-N 0 3 378.860 0.595 20 0 GCADHN COc1cc(OC)c(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c(OC)c1 ZINC000419738249 1194100351 /nfs/dbraw/zinc/10/03/51/1194100351.db2.gz DEYJTDWRUSXSNT-RISCZKNCSA-N 0 3 395.456 0.558 20 0 GCADHN C[C@@H](Cn1cccn1)NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000501276239 1194102940 /nfs/dbraw/zinc/10/29/40/1194102940.db2.gz ISJYNZOLNYKYDR-STQMWFEESA-N 0 3 377.470 0.486 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC000419777899 1194103967 /nfs/dbraw/zinc/10/39/67/1194103967.db2.gz MCVOSVZDIHXOEJ-CYBMUJFWSA-N 0 3 381.423 0.997 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC1 ZINC000419795312 1194105010 /nfs/dbraw/zinc/10/50/10/1194105010.db2.gz JPXABJJACRONEQ-UHFFFAOYSA-N 0 3 394.497 0.618 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(N(C)C)CC2)cc1 ZINC000419797095 1194105107 /nfs/dbraw/zinc/10/51/07/1194105107.db2.gz RBPJEQUPEFFFOZ-UHFFFAOYSA-N 0 3 382.486 0.524 20 0 GCADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1(N(C)C)CC1)CC2 ZINC000419794307 1194105172 /nfs/dbraw/zinc/10/51/72/1194105172.db2.gz FMEGUNIBWGVEAO-UHFFFAOYSA-N 0 3 394.497 0.084 20 0 GCADHN CSc1nnnn1-c1cccc(NC(=O)C(=O)NCC2(N(C)C)CC2)c1 ZINC000419812623 1194112626 /nfs/dbraw/zinc/11/26/26/1194112626.db2.gz NDSFRVYVQYUDTO-UHFFFAOYSA-N 0 3 375.458 0.533 20 0 GCADHN CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419833847 1194116625 /nfs/dbraw/zinc/11/66/25/1194116625.db2.gz WNKVBPNNKQVHKG-SWLSCSKDSA-N 0 3 376.457 0.282 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419873751 1194129035 /nfs/dbraw/zinc/12/90/35/1194129035.db2.gz DLOBRMYYUJOXAC-HOCLYGCPSA-N 0 3 388.468 0.181 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000419913776 1194138204 /nfs/dbraw/zinc/13/82/04/1194138204.db2.gz BERCEFOJLJNSSY-OAHLLOKOSA-N 0 3 386.477 0.849 20 0 GCADHN CC(C)c1nc([C@H]2COCCN2C(=O)C(=O)NC[C@H](N)c2ccccc2)no1 ZINC000419924280 1194139824 /nfs/dbraw/zinc/13/98/24/1194139824.db2.gz HEOILKILZITUGU-LSDHHAIUSA-N 0 3 387.440 0.909 20 0 GCADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419929321 1194140471 /nfs/dbraw/zinc/14/04/71/1194140471.db2.gz MGHHVHWWQWQFKB-JXFKEZNVSA-N 0 3 391.468 0.621 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)n1 ZINC000419913218 1194142599 /nfs/dbraw/zinc/14/25/99/1194142599.db2.gz MLDATMWARJTQFN-OAHLLOKOSA-N 0 3 388.497 0.701 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000419933475 1194144570 /nfs/dbraw/zinc/14/45/70/1194144570.db2.gz QSCYWJULFXTVSY-GOSISDBHSA-N 0 3 398.438 0.926 20 0 GCADHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419937157 1194145132 /nfs/dbraw/zinc/14/51/32/1194145132.db2.gz VOZSNNUCSKZDJG-HRCADAONSA-N 0 3 377.441 0.372 20 0 GCADHN Cc1cnccc1OC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420023954 1194158370 /nfs/dbraw/zinc/15/83/70/1194158370.db2.gz AXVWYIPQJZRLJE-HOCLYGCPSA-N 0 3 390.484 0.989 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000420026403 1194158732 /nfs/dbraw/zinc/15/87/32/1194158732.db2.gz BTJPPRGRYPHECF-SPGJAERMSA-N 0 3 397.422 0.828 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000420027141 1194159458 /nfs/dbraw/zinc/15/94/58/1194159458.db2.gz CEDIXQSDWUYCKQ-DZGCQCFKSA-N 0 3 398.467 0.517 20 0 GCADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420028837 1194159616 /nfs/dbraw/zinc/15/96/16/1194159616.db2.gz DPAWQJYBZPWKON-ZOBUZTSGSA-N 0 3 389.500 0.516 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000420031440 1194160233 /nfs/dbraw/zinc/16/02/33/1194160233.db2.gz HDITYKTXIVUBSS-RCBQFDQVSA-N 0 3 379.432 0.955 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000420032942 1194160926 /nfs/dbraw/zinc/16/09/26/1194160926.db2.gz IGQDMRMSERVONV-GOEBONIOSA-N 0 3 397.479 0.986 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CCN1CCOC ZINC000420034217 1194160985 /nfs/dbraw/zinc/16/09/85/1194160985.db2.gz JEAJMMLAWVQQKA-XHSDSOJGSA-N 0 3 384.521 0.175 20 0 GCADHN [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420015660 1194162707 /nfs/dbraw/zinc/16/27/07/1194162707.db2.gz LSWZMSABGFRXBN-RDJZCZTQSA-N 0 3 388.468 0.310 20 0 GCADHN CCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420055816 1194163229 /nfs/dbraw/zinc/16/32/29/1194163229.db2.gz ICXIVAHNARNCCK-DZGCQCFKSA-N 0 3 382.505 0.371 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000420062364 1194164883 /nfs/dbraw/zinc/16/48/83/1194164883.db2.gz MNKWAUQSZCNDBJ-WJPUGNRLSA-N 0 3 389.496 0.812 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000420039516 1194165362 /nfs/dbraw/zinc/16/53/62/1194165362.db2.gz ODNRJJAZVZBVCF-KKUMJFAQSA-N 0 3 380.489 0.077 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000420037571 1194165807 /nfs/dbraw/zinc/16/58/07/1194165807.db2.gz MEFSFXHVQSMOHJ-JSGCOSHPSA-N 0 3 394.497 0.262 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000420040218 1194166216 /nfs/dbraw/zinc/16/62/16/1194166216.db2.gz ONOADGKJDRHTKU-RISCZKNCSA-N 0 3 391.472 0.882 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CCN1CC(F)F ZINC000420042385 1194166641 /nfs/dbraw/zinc/16/66/41/1194166641.db2.gz QMRZNWHSVBBPCL-YNEHKIRRSA-N 0 3 376.448 0.404 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000420041977 1194166986 /nfs/dbraw/zinc/16/69/86/1194166986.db2.gz QFJIYAMKWXGGDT-HOCLYGCPSA-N 0 3 394.541 0.664 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000420044824 1194168341 /nfs/dbraw/zinc/16/83/41/1194168341.db2.gz UFKUXOVRKUVYBA-XIRDDKMYSA-N 0 3 391.468 0.522 20 0 GCADHN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420047047 1194168918 /nfs/dbraw/zinc/16/89/18/1194168918.db2.gz VXMZJDXEEZSWDU-ILXRZTDVSA-N 0 3 383.489 0.796 20 0 GCADHN COCC1(O)CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420049629 1194169463 /nfs/dbraw/zinc/16/94/63/1194169463.db2.gz GNPQNOAGEVNUJV-GOSISDBHSA-N 0 3 385.464 0.956 20 0 GCADHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420051048 1194169722 /nfs/dbraw/zinc/16/97/22/1194169722.db2.gz ZWOSKAAMYBUJRE-CAOSSQGBSA-N 0 3 396.532 0.759 20 0 GCADHN COc1cccc(N2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)c1 ZINC000420050990 1194169746 /nfs/dbraw/zinc/16/97/46/1194169746.db2.gz ZPPUHRFESVNJSY-RHSMWYFYSA-N 0 3 390.484 0.573 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000420054443 1194170144 /nfs/dbraw/zinc/17/01/44/1194170144.db2.gz HDKQKZNVTIRUAC-FPMFFAJLSA-N 0 3 390.488 0.617 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCSC[C@@H]1c1cnn(C)c1 ZINC000420053062 1194170439 /nfs/dbraw/zinc/17/04/39/1194170439.db2.gz GBUZUDXYOLSLMD-FPMFFAJLSA-N 0 3 381.502 0.266 20 0 GCADHN COc1ccc2c(c1)OCCN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C2 ZINC000420068306 1194171268 /nfs/dbraw/zinc/17/12/68/1194171268.db2.gz SZRFOOUOKHXZPJ-DOMZBBRYSA-N 0 3 377.441 0.645 20 0 GCADHN COC(=O)c1cc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)oc1C ZINC000420069821 1194171899 /nfs/dbraw/zinc/17/18/99/1194171899.db2.gz UXJXESCCGIKHGM-RISCZKNCSA-N 0 3 381.429 0.562 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000420070796 1194172216 /nfs/dbraw/zinc/17/22/16/1194172216.db2.gz VUWINPPEEJTXFJ-YOEHRIQHSA-N 0 3 392.475 0.699 20 0 GCADHN CN(CC(=O)N1CCOCC1)C(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000420073458 1194172713 /nfs/dbraw/zinc/17/27/13/1194172713.db2.gz GJDYLJDJYZQTKN-GOSISDBHSA-N 0 3 398.463 0.273 20 0 GCADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000420078043 1194173770 /nfs/dbraw/zinc/17/37/70/1194173770.db2.gz OLDATOJYMAKHGV-KRWDZBQOSA-N 0 3 385.468 0.685 20 0 GCADHN CCOC(=O)c1nc(C2CCN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC2)n[n-]1 ZINC000420077872 1194173882 /nfs/dbraw/zinc/17/38/82/1194173882.db2.gz DIUDLMXMRYWFPT-UHFFFAOYSA-N 0 3 394.476 0.321 20 0 GCADHN CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC2)[n-]1 ZINC000420077872 1194173887 /nfs/dbraw/zinc/17/38/87/1194173887.db2.gz DIUDLMXMRYWFPT-UHFFFAOYSA-N 0 3 394.476 0.321 20 0 GCADHN CN(CCN1CCOCC1)C(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000420079025 1194173930 /nfs/dbraw/zinc/17/39/30/1194173930.db2.gz PQXXURNUSOGLNE-LJQANCHMSA-N 0 3 384.480 0.746 20 0 GCADHN COCC(=O)N1CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420081961 1194174494 /nfs/dbraw/zinc/17/44/94/1194174494.db2.gz UJPAFUADZCZNSL-SFHVURJKSA-N 0 3 398.463 0.273 20 0 GCADHN CCCCCC(=O)NC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420064288 1194175713 /nfs/dbraw/zinc/17/57/13/1194175713.db2.gz OHVPDIATERACBU-ZBFHGGJFSA-N 0 3 396.532 0.903 20 0 GCADHN CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000420133153 1194190840 /nfs/dbraw/zinc/19/08/40/1194190840.db2.gz ZBRLWKQOGAMVKK-ZDUSSCGKSA-N 0 3 394.476 0.321 20 0 GCADHN CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000420133153 1194190842 /nfs/dbraw/zinc/19/08/42/1194190842.db2.gz ZBRLWKQOGAMVKK-ZDUSSCGKSA-N 0 3 394.476 0.321 20 0 GCADHN COC(=O)c1cnc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000501557500 1194193421 /nfs/dbraw/zinc/19/34/21/1194193421.db2.gz UXNADZGXMTZARZ-HZPDHXFCSA-N 0 3 384.436 0.876 20 0 GCADHN COC[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)CC(C)(C)O1 ZINC000501581249 1194201466 /nfs/dbraw/zinc/20/14/66/1194201466.db2.gz QZCGUCYAMWXWCU-KRWDZBQOSA-N 0 3 386.537 0.212 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000420197378 1194201719 /nfs/dbraw/zinc/20/17/19/1194201719.db2.gz JLEWIYJDIZOCDW-MRXNPFEDSA-N 0 3 381.423 0.851 20 0 GCADHN Cc1ccc(-n2cnc3c2CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C3)cc1 ZINC000420198560 1194202392 /nfs/dbraw/zinc/20/23/92/1194202392.db2.gz LBZGPVODGBAUBD-INIZCTEOSA-N 0 3 383.452 0.170 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000420189855 1194206414 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COc1cc(CN[C@@H](C)C[S@](C)=O)ccc1OCC(=O)N1CCOCC1 ZINC000273059311 1194535340 /nfs/dbraw/zinc/53/53/40/1194535340.db2.gz LZDKSUDUMLNAQY-RXBISOJRSA-N 0 3 384.498 0.789 20 0 GCADHN NC(=O)C[C@@H](NCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000273320567 1194554417 /nfs/dbraw/zinc/55/44/17/1194554417.db2.gz RUFXDSDQCJMVEA-OAHLLOKOSA-N 0 3 382.486 0.686 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cnn(-c3ccccc3)n2)CC1 ZINC000273354799 1194557506 /nfs/dbraw/zinc/55/75/06/1194557506.db2.gz YWLKXZSZHNDGDJ-UHFFFAOYSA-N 0 3 385.472 0.350 20 0 GCADHN C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 ZINC000273370480 1194558532 /nfs/dbraw/zinc/55/85/32/1194558532.db2.gz FADGCGSWEQHDHO-YOEHRIQHSA-N 0 3 397.497 0.803 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N(C)c2ccc(N3CCOCC3)nc2)CC1=O ZINC000273411104 1194561659 /nfs/dbraw/zinc/56/16/59/1194561659.db2.gz PQDJEARACAHEFP-OAHLLOKOSA-N 0 3 375.473 0.291 20 0 GCADHN Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCCN2CCN(C)CC2)no1 ZINC000273410180 1194561691 /nfs/dbraw/zinc/56/16/91/1194561691.db2.gz MRDGZBZVJLQBBI-CQSZACIVSA-N 0 3 383.518 0.797 20 0 GCADHN COC(=O)[C@H](C)CS(=O)(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000273455926 1194565017 /nfs/dbraw/zinc/56/50/17/1194565017.db2.gz APBZYMJLLLAQRT-RHSMWYFYSA-N 0 3 384.498 0.872 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000273559706 1194572544 /nfs/dbraw/zinc/57/25/44/1194572544.db2.gz NBCGSDCMOGPVHB-IAGOWNOFSA-N 0 3 375.473 0.593 20 0 GCADHN COCCN1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000273620058 1194577156 /nfs/dbraw/zinc/57/71/56/1194577156.db2.gz VQTPNWBMKKVWDI-GOSISDBHSA-N 0 3 389.500 0.983 20 0 GCADHN CCS(=O)(=O)NCc1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000273729168 1194586360 /nfs/dbraw/zinc/58/63/60/1194586360.db2.gz APRLKWQZKDRRSR-UHFFFAOYSA-N 0 3 380.474 0.713 20 0 GCADHN CS[C@@H]1CN(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)C[C@@H]1N(C)C ZINC000273776241 1194588370 /nfs/dbraw/zinc/58/83/70/1194588370.db2.gz WLVALJSNHYNMEW-LSDHHAIUSA-N 0 3 393.513 0.801 20 0 GCADHN CCN(CC)C(=O)CCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503199721 1194590519 /nfs/dbraw/zinc/59/05/19/1194590519.db2.gz SNXBZSLAXRWYOC-UHFFFAOYSA-N 0 3 381.521 0.585 20 0 GCADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000422256809 1194594648 /nfs/dbraw/zinc/59/46/48/1194594648.db2.gz GHIINVGTVRJPHR-SJORKVTESA-N 0 3 398.548 0.029 20 0 GCADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000422280128 1194600014 /nfs/dbraw/zinc/60/00/14/1194600014.db2.gz URHGBMDLDWJKAK-GJZGRUSLSA-N 0 3 385.530 0.588 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000422281356 1194600079 /nfs/dbraw/zinc/60/00/79/1194600079.db2.gz BJWNWPIVCCLIKK-MRXNPFEDSA-N 0 3 378.448 0.153 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000422285165 1194603066 /nfs/dbraw/zinc/60/30/66/1194603066.db2.gz KGNREVXSERGUCZ-KRWDZBQOSA-N 0 3 392.475 0.542 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H](CC)O1 ZINC000422294360 1194606640 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0.000 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000422385235 1194631193 /nfs/dbraw/zinc/63/11/93/1194631193.db2.gz HCNMROFOXRKJQQ-NEPJUHHUSA-N 0 3 378.395 0.209 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C1 ZINC000422391023 1194633262 /nfs/dbraw/zinc/63/32/62/1194633262.db2.gz SVXHEKBXXJAPHK-JKSUJKDBSA-N 0 3 376.505 0.446 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000422395152 1194635481 /nfs/dbraw/zinc/63/54/81/1194635481.db2.gz FKQWSEWCNAIKJH-UHFFFAOYSA-N 0 3 390.513 0.811 20 0 GCADHN CC1(C)NC(=O)N(CCN2CC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1=O ZINC001028704032 1194638714 /nfs/dbraw/zinc/63/87/14/1194638714.db2.gz NHAQNMKNVNEBJP-AYCBFJCHSA-N 0 3 390.484 0.178 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000422406024 1194638842 /nfs/dbraw/zinc/63/88/42/1194638842.db2.gz ZFYYHEHCYNLSLX-BZSNNMDCSA-N 0 3 377.485 0.071 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000422406028 1194639054 /nfs/dbraw/zinc/63/90/54/1194639054.db2.gz ZFYYHEHCYNLSLX-OKZBNKHCSA-N 0 3 377.485 0.071 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1c(F)cccc1-n1cccn1 ZINC000422443151 1194641950 /nfs/dbraw/zinc/64/19/50/1194641950.db2.gz WVSGDEUWMRBGOK-UHFFFAOYSA-N 0 3 391.447 0.664 20 0 GCADHN COC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)[C@@H]1CCCO1 ZINC000422428912 1194642992 /nfs/dbraw/zinc/64/29/92/1194642992.db2.gz RQUZMXVJOHWOJJ-CVEARBPZSA-N 0 3 383.514 0.949 20 0 GCADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000422437101 1194645236 /nfs/dbraw/zinc/64/52/36/1194645236.db2.gz YUQTYFWDGJQPGN-KBPBESRZSA-N 0 3 385.530 0.588 20 0 GCADHN O=C(NCc1ccc2cncn2c1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000422468643 1194646220 /nfs/dbraw/zinc/64/62/20/1194646220.db2.gz AQRRKFAQIKNCOS-QGZVFWFLSA-N 0 3 385.468 0.521 20 0 GCADHN CC(=O)NCc1ccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000503367897 1194646910 /nfs/dbraw/zinc/64/69/10/1194646910.db2.gz BSOWMWHJBXPNAH-GOSISDBHSA-N 0 3 390.484 0.830 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC000422473792 1194647628 /nfs/dbraw/zinc/64/76/28/1194647628.db2.gz OJYVPAIWVDTJIN-UHFFFAOYSA-N 0 3 398.548 0.030 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000422524850 1194660922 /nfs/dbraw/zinc/66/09/22/1194660922.db2.gz HAFXSRCXHKQZPP-QGZVFWFLSA-N 0 3 390.459 0.990 20 0 GCADHN O=C(NC[C@H]1CNC(=O)C1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000422501033 1194661296 /nfs/dbraw/zinc/66/12/96/1194661296.db2.gz FNIZMKBZCNBGRR-GOSISDBHSA-N 0 3 386.496 0.406 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cn1 ZINC000422525573 1194661772 /nfs/dbraw/zinc/66/17/72/1194661772.db2.gz FGVXSOAJTNHSGH-CYGHRXIMSA-N 0 3 391.516 0.942 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000422525258 1194661900 /nfs/dbraw/zinc/66/19/00/1194661900.db2.gz DTMIHBOAQKVJCS-CVEARBPZSA-N 0 3 393.509 0.792 20 0 GCADHN CO[C@@](C)([C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CC1 ZINC000422528850 1194662470 /nfs/dbraw/zinc/66/24/70/1194662470.db2.gz KLZQLJRKSGLZRL-IIMJZQEZSA-N 0 3 394.516 0.071 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)cn1 ZINC000422531381 1194663362 /nfs/dbraw/zinc/66/33/62/1194663362.db2.gz OQNSRKBBJLQEON-BHYGNILZSA-N 0 3 375.473 0.403 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cn1 ZINC000422531382 1194663410 /nfs/dbraw/zinc/66/34/10/1194663410.db2.gz OQNSRKBBJLQEON-USXIJHARSA-N 0 3 375.473 0.403 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000422589538 1194669796 /nfs/dbraw/zinc/66/97/96/1194669796.db2.gz MLIBNXCCBYFPOE-ZIAGYGMSSA-N 0 3 376.448 0.011 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[C@H]1CC1(C)C ZINC000422583052 1194671808 /nfs/dbraw/zinc/67/18/08/1194671808.db2.gz WARNBMYEAGYXJH-CVEARBPZSA-N 0 3 380.533 0.940 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H]1CC1(C)C ZINC000422583389 1194672051 /nfs/dbraw/zinc/67/20/51/1194672051.db2.gz WYXPDRPFQNLJLA-JYJNAYRXSA-N 0 3 378.517 0.692 20 0 GCADHN CCCN1C[C@H](CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1=O ZINC000422609114 1194674751 /nfs/dbraw/zinc/67/47/51/1194674751.db2.gz WFLYGSBFNWYRIA-IRXDYDNUSA-N 0 3 378.517 0.838 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)N1CCOCC1 ZINC000414675930 1194679842 /nfs/dbraw/zinc/67/98/42/1194679842.db2.gz GXQRVHYPTPQECD-KRWDZBQOSA-N 0 3 390.484 0.580 20 0 GCADHN COc1cccc(CC(=O)N2CCN(C[C@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000414682662 1194689197 /nfs/dbraw/zinc/68/91/97/1194689197.db2.gz ACUCHMHUKRIVRR-GOSISDBHSA-N 0 3 388.512 0.579 20 0 GCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000422758874 1194695685 /nfs/dbraw/zinc/69/56/85/1194695685.db2.gz JIDZBOQALSSLKQ-VQIMIIECSA-N 0 3 377.485 0.945 20 0 GCADHN Cn1cc(OCC(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)cn1 ZINC000503589586 1194697458 /nfs/dbraw/zinc/69/74/58/1194697458.db2.gz VKRZVYPMFPCBIM-UHFFFAOYSA-N 0 3 385.468 0.941 20 0 GCADHN CN1CC[C@@H]2OCCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)[C@@H]2C1 ZINC000503610087 1194700035 /nfs/dbraw/zinc/70/00/35/1194700035.db2.gz LSVWUWOLOHJWQE-PFFSRIRZSA-N 0 3 382.530 0.644 20 0 GCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)NCCN3CCC3)c2)CC1 ZINC000503655875 1194704438 /nfs/dbraw/zinc/70/44/38/1194704438.db2.gz WETRQXWGYDWCPQ-UHFFFAOYSA-N 0 3 387.484 0.144 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000549963780 1194709988 /nfs/dbraw/zinc/70/99/88/1194709988.db2.gz BUQIBXYTAXLXDX-UHFFFAOYSA-N 0 3 396.532 0.511 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccccc1CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000423000773 1194715874 /nfs/dbraw/zinc/71/58/74/1194715874.db2.gz ZXPOWNUELSHOJM-SJLPKXTDSA-N 0 3 383.514 0.156 20 0 GCADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000503766274 1194716883 /nfs/dbraw/zinc/71/68/83/1194716883.db2.gz VFCUDRGBRNFPRS-RDJZCZTQSA-N 0 3 394.541 0.740 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)C(=O)N3CCNC(C)(C)C3)CC2)cc1 ZINC000423046237 1194718464 /nfs/dbraw/zinc/71/84/64/1194718464.db2.gz FFJNRGZRLBVTEE-UHFFFAOYSA-N 0 3 388.512 0.940 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)C(=O)N3C[C@@H](C)N[C@H](C)C3)CC2)cc1 ZINC000423046935 1194718997 /nfs/dbraw/zinc/71/89/97/1194718997.db2.gz GIQNIMKMONKQBN-IAGOWNOFSA-N 0 3 388.512 0.938 20 0 GCADHN N[C@@H](C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CCC1 ZINC000423039810 1194721559 /nfs/dbraw/zinc/72/15/59/1194721559.db2.gz RTOJNYBHHAOGRY-DOTOQJQBSA-N 0 3 381.498 0.888 20 0 GCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000414722092 1194739311 /nfs/dbraw/zinc/73/93/11/1194739311.db2.gz KFUAGPWKZKBDEK-AWEZNQCLSA-N 0 3 387.484 0.287 20 0 GCADHN CNC(=O)Cn1nc(NC(=O)NC2CCN(CCOC(C)C)CC2)cc1C ZINC000503989405 1194740023 /nfs/dbraw/zinc/74/00/23/1194740023.db2.gz IFARYVQIRYRMOU-UHFFFAOYSA-N 0 3 380.493 0.948 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414728997 1194745827 /nfs/dbraw/zinc/74/58/27/1194745827.db2.gz DRQCPEBCYJQECK-QGZVFWFLSA-N 0 3 394.541 0.499 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@H](C(N)=O)C3)c2)CC1 ZINC000504044475 1194746696 /nfs/dbraw/zinc/74/66/96/1194746696.db2.gz MQHAKEUKEJMAGG-OAHLLOKOSA-N 0 3 387.484 0.489 20 0 GCADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000423320630 1194747465 /nfs/dbraw/zinc/74/74/65/1194747465.db2.gz MIOYABLQRLMAJM-GVAFMPQTSA-N 0 3 399.488 0.359 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3Cc4ccccc4C4(CC4)C3)C2)nn1 ZINC000423381107 1194752289 /nfs/dbraw/zinc/75/22/89/1194752289.db2.gz HRKSTTZKOTYFHM-KRWDZBQOSA-N 0 3 394.479 0.974 20 0 GCADHN CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1(C)C ZINC000423383262 1194752565 /nfs/dbraw/zinc/75/25/65/1194752565.db2.gz DYFCEAXZCJXQFI-HRCADAONSA-N 0 3 392.504 0.562 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)C(=O)NCc1ccccc1 ZINC000414741333 1194754391 /nfs/dbraw/zinc/75/43/91/1194754391.db2.gz KQWBALCVKFOEHF-CQSZACIVSA-N 0 3 396.447 0.928 20 0 GCADHN Cc1ccc(OCC(=O)N2CCN(C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414741708 1194754691 /nfs/dbraw/zinc/75/46/91/1194754691.db2.gz HPMKCLYGNUAMCD-GOSISDBHSA-N 0 3 388.512 0.715 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1=O ZINC000504174947 1194760645 /nfs/dbraw/zinc/76/06/45/1194760645.db2.gz CDJKEPSUUZTOPQ-KRWDZBQOSA-N 0 3 376.476 0.880 20 0 GCADHN COC(=O)CN(Cc1cc(OC)cc(OC)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414749008 1194762460 /nfs/dbraw/zinc/76/24/60/1194762460.db2.gz PHAMKLLDAZZNBR-HNNXBMFYSA-N 0 3 393.484 0.876 20 0 GCADHN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@@H]1CNCCO1 ZINC000414751371 1194768621 /nfs/dbraw/zinc/76/86/21/1194768621.db2.gz IPYVHWSHXKXICF-LBPRGKRZSA-N 0 3 385.490 0.113 20 0 GCADHN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000423602365 1194771993 /nfs/dbraw/zinc/77/19/93/1194771993.db2.gz CZKWSHHBEMGJCK-CYBMUJFWSA-N 0 3 393.875 0.734 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000423605164 1194772278 /nfs/dbraw/zinc/77/22/78/1194772278.db2.gz GUUJCDZUHPABAY-CYBMUJFWSA-N 0 3 386.374 0.902 20 0 GCADHN CN(Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423612981 1194773569 /nfs/dbraw/zinc/77/35/69/1194773569.db2.gz QJUXJHNATPMVRQ-UHFFFAOYSA-N 0 3 387.484 0.205 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCC(CCCN3CCOCC3)CC2)[C@H](C)CN1 ZINC000423650426 1194779104 /nfs/dbraw/zinc/77/91/04/1194779104.db2.gz KSUKRVQEXPRMRQ-IAGOWNOFSA-N 0 3 380.533 0.546 20 0 GCADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)[C@@H]1C[NH3+] ZINC000423726176 1194789397 /nfs/dbraw/zinc/78/93/97/1194789397.db2.gz IKIAKKRYJDAVQD-GOEBONIOSA-N 0 3 388.468 0.262 20 0 GCADHN C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000423729571 1194790297 /nfs/dbraw/zinc/79/02/97/1194790297.db2.gz KLXHQYFDMWVLMA-HUUCEWRRSA-N 0 3 388.468 0.262 20 0 GCADHN Cc1cccc(OC[C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)c1 ZINC000414762630 1194794142 /nfs/dbraw/zinc/79/41/42/1194794142.db2.gz WHGXVHTXQBUURP-QGZVFWFLSA-N 0 3 399.447 0.972 20 0 GCADHN O=C(CNCC1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1)NC[C@@H]1CCOC1 ZINC001269575764 1194797156 /nfs/dbraw/zinc/79/71/56/1194797156.db2.gz OMIUEYHTPCCMFT-HZMVEIRTSA-N 0 3 379.501 0.725 20 0 GCADHN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000423991706 1194797211 /nfs/dbraw/zinc/79/72/11/1194797211.db2.gz MVVNGRNXSRNKQP-HOTGVXAUSA-N 0 3 381.498 0.408 20 0 GCADHN COc1ccc(CCN2C[C@@H](C(=O)NC[C@@H]3CNCCO3)CC2=O)cc1OC ZINC000423994350 1194797376 /nfs/dbraw/zinc/79/73/76/1194797376.db2.gz SFFQCCMGUJTXCV-HOTGVXAUSA-N 0 3 391.468 0.199 20 0 GCADHN COc1cc(N2C[C@H](C(=O)NC[C@H]3CNCCO3)CC2=O)cc(OC)c1OC ZINC000423994024 1194797624 /nfs/dbraw/zinc/79/76/24/1194797624.db2.gz RRLGEYZBTZAJSW-TZMCWYRMSA-N 0 3 393.440 0.170 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CNCCO3)CC2)cc1C ZINC000423997994 1194797902 /nfs/dbraw/zinc/79/79/02/1194797902.db2.gz YYZRBJRHYYRCOJ-QGZVFWFLSA-N 0 3 395.525 0.809 20 0 GCADHN COCC(=O)N1CCC(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000549967685 1194798214 /nfs/dbraw/zinc/79/82/14/1194798214.db2.gz WUAJBTKZYCBUAX-UHFFFAOYSA-N 0 3 382.505 0.121 20 0 GCADHN [NH3+]C1(CNC(=O)CNC(=O)c2ncccc2[O-])CCN(Cc2ccccc2)CC1 ZINC000424016442 1194798902 /nfs/dbraw/zinc/79/89/02/1194798902.db2.gz CQXJBRABRNIHHC-UHFFFAOYSA-N 0 3 397.479 0.627 20 0 GCADHN CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504587800 1194800063 /nfs/dbraw/zinc/80/00/63/1194800063.db2.gz XNXNRRXRRYRREN-HNNXBMFYSA-N 0 3 389.500 0.796 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCc3nncn3C)c2)CC1 ZINC000504594485 1194800354 /nfs/dbraw/zinc/80/03/54/1194800354.db2.gz XUJLSRQTYVHESX-UHFFFAOYSA-N 0 3 385.472 0.600 20 0 GCADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCC(C)(C)N1CCCCC1)CC2 ZINC000549967220 1194805415 /nfs/dbraw/zinc/80/54/15/1194805415.db2.gz HSHXSCWVJMOFQK-AWEZNQCLSA-N 0 3 392.504 0.236 20 0 GCADHN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424228731 1194806182 /nfs/dbraw/zinc/80/61/82/1194806182.db2.gz UIXLCRBXBJEXDY-DLBZAZTESA-N 0 3 376.482 0.953 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000424449237 1194812628 /nfs/dbraw/zinc/81/26/28/1194812628.db2.gz RQLRSTBFMFQEJD-UHFFFAOYSA-N 0 3 390.484 0.676 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)CC(N)=O)c2)CC1 ZINC000505007859 1194822659 /nfs/dbraw/zinc/82/26/59/1194822659.db2.gz VVIIRDCLQVIQHQ-AWEZNQCLSA-N 0 3 375.473 0.536 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000424541736 1194822695 /nfs/dbraw/zinc/82/26/95/1194822695.db2.gz HTPXDNZOCSWPQH-CQSZACIVSA-N 0 3 392.525 0.833 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000414796151 1194822993 /nfs/dbraw/zinc/82/29/93/1194822993.db2.gz XIFDWSNURUJOHR-GOSISDBHSA-N 0 3 394.431 0.807 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC3)c2)CC1 ZINC000505020121 1194824765 /nfs/dbraw/zinc/82/47/65/1194824765.db2.gz HJTJVXGVMLITRC-INIZCTEOSA-N 0 3 387.484 0.550 20 0 GCADHN Nc1ccc(F)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000414799725 1194826087 /nfs/dbraw/zinc/82/60/87/1194826087.db2.gz GWDMNBBQLOYWLN-UHFFFAOYSA-N 0 3 377.420 0.113 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cc1ccc(-n2cnnc2)cc1 ZINC000424645721 1194827361 /nfs/dbraw/zinc/82/73/61/1194827361.db2.gz SZVREQMZPCESBV-GOSISDBHSA-N 0 3 384.484 0.869 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000664406340 1194832311 /nfs/dbraw/zinc/83/23/11/1194832311.db2.gz SBDPLKWEZMFGKC-DOTOQJQBSA-N 0 3 395.529 0.441 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)cc1 ZINC000414825997 1194834086 /nfs/dbraw/zinc/83/40/86/1194834086.db2.gz UYHCNELDTLLJGV-UHFFFAOYSA-N 0 3 396.447 0.962 20 0 GCADHN CCC(=O)N[C@@H](CCSC)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000505375174 1194835639 /nfs/dbraw/zinc/83/56/39/1194835639.db2.gz MPFZKQMLCYHSIZ-HNNXBMFYSA-N 0 3 386.562 0.647 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000505367423 1194836238 /nfs/dbraw/zinc/83/62/38/1194836238.db2.gz BNQPDSKFZZUBLI-UHFFFAOYSA-N 0 3 396.513 0.684 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1 ZINC000505381277 1194836260 /nfs/dbraw/zinc/83/62/60/1194836260.db2.gz DRVUFQHUAJDACP-UHFFFAOYSA-N 0 3 387.546 0.747 20 0 GCADHN CC(=O)NCCN(Cc1ccc(C)s1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000513991304 1194843686 /nfs/dbraw/zinc/84/36/86/1194843686.db2.gz FKWYQERHEDRGLN-MRXNPFEDSA-N 0 3 394.541 0.931 20 0 GCADHN CNC(=O)CNC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000366585168 1194848103 /nfs/dbraw/zinc/84/81/03/1194848103.db2.gz WBAOUZFFNFCPCA-MRXNPFEDSA-N 0 3 398.467 0.439 20 0 GCADHN C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000366585889 1194848526 /nfs/dbraw/zinc/84/85/26/1194848526.db2.gz OCECTMFIUAMBLE-MWQQHZPXSA-N 0 3 377.485 0.920 20 0 GCADHN C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000366588712 1194850624 /nfs/dbraw/zinc/85/06/24/1194850624.db2.gz QEEYBTOHBYHAPI-UKRRQHHQSA-N 0 3 378.473 0.609 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000280883137 1194855441 /nfs/dbraw/zinc/85/54/41/1194855441.db2.gz BEXZWZYIFBOLMO-WMLDXEAASA-N 0 3 381.498 0.466 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C[C@H]1C(N)=O ZINC000505452007 1194855898 /nfs/dbraw/zinc/85/58/98/1194855898.db2.gz VVNLNUGLMGFKNC-IUODEOHRSA-N 0 3 389.456 0.073 20 0 GCADHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000514236723 1194858810 /nfs/dbraw/zinc/85/88/10/1194858810.db2.gz XWHCIDBVBGCOBO-CABCVRRESA-N 0 3 384.521 0.223 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c(C)c1 ZINC000281107118 1194859886 /nfs/dbraw/zinc/85/98/86/1194859886.db2.gz ULHORDWFDKCFAN-CQSZACIVSA-N 0 3 388.468 0.825 20 0 GCADHN CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)CC1 ZINC000434681413 1194860852 /nfs/dbraw/zinc/86/08/52/1194860852.db2.gz ODPMNBXKRPYLMD-UHFFFAOYSA-N 0 3 378.458 0.541 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN[C@H](C)[C@H]2C)c1 ZINC000434710110 1194861073 /nfs/dbraw/zinc/86/10/73/1194861073.db2.gz ZHWMTOJWAPXDRJ-ZIAGYGMSSA-N 0 3 384.502 0.088 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)CC1 ZINC000434717551 1194864576 /nfs/dbraw/zinc/86/45/76/1194864576.db2.gz IUMURESYRMGYCY-CQSZACIVSA-N 0 3 387.484 0.286 20 0 GCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000434783940 1194869503 /nfs/dbraw/zinc/86/95/03/1194869503.db2.gz MAUICWGWOPKJSA-ZIAGYGMSSA-N 0 3 375.473 0.879 20 0 GCADHN CCc1csc(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)n1 ZINC000434845050 1194872677 /nfs/dbraw/zinc/87/26/77/1194872677.db2.gz XRNIKPWNDAWSCY-UHFFFAOYSA-N 0 3 381.502 0.657 20 0 GCADHN Cc1ccnc(-n2nccc2NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281959901 1194874899 /nfs/dbraw/zinc/87/48/99/1194874899.db2.gz LHMUHIWUAQKQMA-UHFFFAOYSA-N 0 3 399.499 0.656 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1=O ZINC000366620875 1194884978 /nfs/dbraw/zinc/88/49/78/1194884978.db2.gz KNPXPPUIYRKJPT-OAGGEKHMSA-N 0 3 394.516 0.722 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000514684652 1194892729 /nfs/dbraw/zinc/89/27/29/1194892729.db2.gz YNLLRTWKDDZOHN-KGLIPLIRSA-N 0 3 388.459 0.597 20 0 GCADHN CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000435188331 1194896516 /nfs/dbraw/zinc/89/65/16/1194896516.db2.gz NHROCOGOWSBFQH-UKRRQHHQSA-N 0 3 380.489 0.713 20 0 GCADHN CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000435188332 1194896592 /nfs/dbraw/zinc/89/65/92/1194896592.db2.gz NHROCOGOWSBFQH-ZFWWWQNUSA-N 0 3 380.489 0.713 20 0 GCADHN COc1cncc(NC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)n1 ZINC000514728257 1194900574 /nfs/dbraw/zinc/90/05/74/1194900574.db2.gz FDLPMBZXSGJFNW-UHFFFAOYSA-N 0 3 399.451 0.697 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)Cn2nnnc2-c2ccsc2)CC1 ZINC000514729181 1194900955 /nfs/dbraw/zinc/90/09/55/1194900955.db2.gz FGOCGHWGDXGCSI-AWEZNQCLSA-N 0 3 377.518 0.791 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)CC1=O ZINC000425306424 1194903942 /nfs/dbraw/zinc/90/39/42/1194903942.db2.gz AISQPCDMVGZKHA-XHSDSOJGSA-N 0 3 381.517 0.923 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccc(O)c(OC)c2)CC1=O ZINC000425313169 1194906809 /nfs/dbraw/zinc/90/68/09/1194906809.db2.gz HUXDZDVAUHGZDJ-HNNXBMFYSA-N 0 3 379.457 0.239 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2nc3cccc(Cl)c3n2C)n1 ZINC000514784471 1194908282 /nfs/dbraw/zinc/90/82/82/1194908282.db2.gz ASSDOXYLCFVOLA-UHFFFAOYSA-N 0 3 390.879 0.514 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C23CCC(C(=O)OC)(CC2)C3)CC1=O ZINC000425318764 1194909534 /nfs/dbraw/zinc/90/95/34/1194909534.db2.gz PEETXSRCERMNRT-APMMTJHUSA-N 0 3 395.500 0.405 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc3nccnc3cc2F)CC1=O ZINC000425317198 1194909737 /nfs/dbraw/zinc/90/97/37/1194909737.db2.gz MXTYQPQDHOZKHZ-CYBMUJFWSA-N 0 3 389.431 0.678 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)CCc2c(C)nc(C)[nH]c2=O)CC1=O ZINC000425318365 1194910005 /nfs/dbraw/zinc/91/00/05/1194910005.db2.gz OMIYWAHYXJKMBS-HNNXBMFYSA-N 0 3 393.488 0.027 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2Cc3ccccc3S2)CC1=O ZINC000425318370 1194910193 /nfs/dbraw/zinc/91/01/93/1194910193.db2.gz OMJXRYJFCPANAD-WBVHZDCISA-N 0 3 377.510 0.999 20 0 GCADHN Cc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(OCC(=O)N(C)C)c1 ZINC000514799978 1194911691 /nfs/dbraw/zinc/91/16/91/1194911691.db2.gz ZJGAZRDXGPYNJL-KGLIPLIRSA-N 0 3 389.456 0.238 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)CC1=O ZINC000425324964 1194912513 /nfs/dbraw/zinc/91/25/13/1194912513.db2.gz WMOYSGZUTSPEOD-CQSZACIVSA-N 0 3 388.472 0.484 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cn3cc(C)nc3s2)CC1=O ZINC000425321812 1194913961 /nfs/dbraw/zinc/91/39/61/1194913961.db2.gz SJIPZDZLMLGFNV-CYBMUJFWSA-N 0 3 379.486 0.613 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)CC1=O ZINC000425322871 1194914435 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BUJIMKHNPASPAO-YTQUADARSA-N 0 3 387.480 0.845 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)CCN2C1=O ZINC000514951564 1194932967 /nfs/dbraw/zinc/93/29/67/1194932967.db2.gz SKQCAWCQRRDMCZ-IRXDYDNUSA-N 0 3 379.420 0.718 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)CCN2C1=O ZINC000514951555 1194933041 /nfs/dbraw/zinc/93/30/41/1194933041.db2.gz SKQCAWCQRRDMCZ-DLBZAZTESA-N 0 3 379.420 0.718 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC(C)(C)O[C@]4(CCCOC4)C3)[C@@H]2C1 ZINC000425379274 1194933321 /nfs/dbraw/zinc/93/33/21/1194933321.db2.gz AKACIKBHIJTUPB-RZQQEMMASA-N 0 3 379.501 0.726 20 0 GCADHN Cc1csc([C@H]2COCCN2C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)n1 ZINC000425382130 1194934078 /nfs/dbraw/zinc/93/40/78/1194934078.db2.gz GLVJIQNECCBAJY-RRFJBIMHSA-N 0 3 378.498 0.904 20 0 GCADHN CCc1cnc(N2CCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)s1 ZINC000425384663 1194935001 /nfs/dbraw/zinc/93/50/01/1194935001.db2.gz KCSGMUYVPMGCPW-GOEBONIOSA-N 0 3 391.541 0.907 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000425384145 1194935177 /nfs/dbraw/zinc/93/51/77/1194935177.db2.gz JCWGHMPTSREJKH-RCCFBDPRSA-N 0 3 384.480 0.629 20 0 GCADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425386882 1194936196 /nfs/dbraw/zinc/93/61/96/1194936196.db2.gz MUXDWDNKMYDTMB-OKZBNKHCSA-N 0 3 399.495 0.249 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)n1 ZINC000425390101 1194941330 /nfs/dbraw/zinc/94/13/30/1194941330.db2.gz QKIAQEFLHSWERW-DLBZAZTESA-N 0 3 386.500 0.295 20 0 GCADHN O=C(C(=O)N1CCN(C2CC2)C(=O)C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425392469 1194941774 /nfs/dbraw/zinc/94/17/74/1194941774.db2.gz TURZQXIJYOPJIR-PKOBYXMFSA-N 0 3 396.491 0.553 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425393363 1194942714 /nfs/dbraw/zinc/94/27/14/1194942714.db2.gz DIEVEJFYHINQBF-DLBZAZTESA-N 0 3 380.533 0.356 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)CCCc3nc(-c4ccc(F)cc4)no3)CCN2C1=O ZINC000515074845 1194943702 /nfs/dbraw/zinc/94/37/02/1194943702.db2.gz ZLYVWBDQMZMFRL-GJZGRUSLSA-N 0 3 387.415 0.969 20 0 GCADHN CCO[C@H](CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC000515089035 1194945138 /nfs/dbraw/zinc/94/51/38/1194945138.db2.gz AMRITNQPTRFURE-QGZVFWFLSA-N 0 3 396.532 0.320 20 0 GCADHN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCO1 ZINC000366629908 1194946392 /nfs/dbraw/zinc/94/63/92/1194946392.db2.gz KWPVGLWJRJIBEO-BZUAXINKSA-N 0 3 398.504 0.785 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)CC1 ZINC000435659291 1194951543 /nfs/dbraw/zinc/95/15/43/1194951543.db2.gz HXWOBZXZPLWUSS-UHFFFAOYSA-N 0 3 390.484 0.862 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCn4c(nnc4-c4ccccc4)C3)[C@@H]2C1 ZINC000425400905 1194953756 /nfs/dbraw/zinc/95/37/56/1194953756.db2.gz LBZUMXLCJPLKQN-DLBZAZTESA-N 0 3 394.479 0.840 20 0 GCADHN CN(CCO)CCNC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000924996771 1194955357 /nfs/dbraw/zinc/95/53/57/1194955357.db2.gz BDHMEETXMKHZHI-UHFFFAOYSA-N 0 3 397.522 0.796 20 0 GCADHN CCN1CCN(c2ccc(C(=O)N3C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C3)cc2)CC1 ZINC000435705894 1194958271 /nfs/dbraw/zinc/95/82/71/1194958271.db2.gz LWXTYXZTGKXOHZ-ZWKOTPCHSA-N 0 3 390.484 0.030 20 0 GCADHN CCN1CCN(c2ccc(C(=O)N3C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C3)cc2)CC1 ZINC000435705894 1194958273 /nfs/dbraw/zinc/95/82/73/1194958273.db2.gz LWXTYXZTGKXOHZ-ZWKOTPCHSA-N 0 3 390.484 0.030 20 0 GCADHN O=C(CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)Nc1nncs1 ZINC001270005032 1194959928 /nfs/dbraw/zinc/95/99/28/1194959928.db2.gz RGFIERNHDBHTOD-IWVDPLHQSA-N 0 3 391.497 0.917 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C[C@H](CO)O1 ZINC000425406941 1194963394 /nfs/dbraw/zinc/96/33/94/1194963394.db2.gz UQZQHEMAXUABCQ-QXCFHYIPSA-N 0 3 387.480 0.328 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000515352250 1194968497 /nfs/dbraw/zinc/96/84/97/1194968497.db2.gz OXSLCFMKBJKADQ-OAHLLOKOSA-N 0 3 392.485 0.187 20 0 GCADHN CCOc1ccc(NC(=O)[C@@H](CN)OC)cc1S(=O)(=O)N1CCOCC1 ZINC000515338912 1194969025 /nfs/dbraw/zinc/96/90/25/1194969025.db2.gz RCFBGFFMJGOTMP-CQSZACIVSA-N 0 3 387.458 0.018 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)[C@@H](O)c3ccccc3Cl)C2)OCC1=O ZINC001270022866 1194970187 /nfs/dbraw/zinc/97/01/87/1194970187.db2.gz KUIPQRAGJMUGIM-INIZCTEOSA-N 0 3 381.860 0.375 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)N1CCC(C)CC1 ZINC000515390814 1194970925 /nfs/dbraw/zinc/97/09/25/1194970925.db2.gz SNGDVYYRPAOEML-ZIAGYGMSSA-N 0 3 378.439 0.976 20 0 GCADHN O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000515404071 1194972522 /nfs/dbraw/zinc/97/25/22/1194972522.db2.gz IKWMRQQSUNDRFL-CVEARBPZSA-N 0 3 386.452 0.030 20 0 GCADHN CC(=O)CCc1ccc(OC[C@H](O)CNC[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000515414144 1194973665 /nfs/dbraw/zinc/97/36/65/1194973665.db2.gz CVVPCTKAKGVKJD-AEFFLSMTSA-N 0 3 385.482 0.351 20 0 GCADHN CSCC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001270044544 1194982446 /nfs/dbraw/zinc/98/24/46/1194982446.db2.gz BUEDDUIBDRGHEI-YJBOKZPZSA-N 0 3 384.546 0.257 20 0 GCADHN CSCC[C@H](NC(C)=O)C(=O)N1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001270044699 1194982659 /nfs/dbraw/zinc/98/26/59/1194982659.db2.gz DMPLUYAORXDHIY-YJBOKZPZSA-N 0 3 384.546 0.399 20 0 GCADHN CN1CCN(CC(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1=O ZINC000436054713 1194984325 /nfs/dbraw/zinc/98/43/25/1194984325.db2.gz IEGDSXCNCQCQMQ-UHFFFAOYSA-N 0 3 387.484 0.096 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000425469793 1194986648 /nfs/dbraw/zinc/98/66/48/1194986648.db2.gz SQQWZUVFQZTVGU-HOTGVXAUSA-N 0 3 377.493 0.567 20 0 GCADHN CN1CCN(CCNC(=O)N2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)CC1(C)C ZINC000515612159 1194987112 /nfs/dbraw/zinc/98/71/12/1194987112.db2.gz NWIROOZQEDDTNJ-MSOLQXFVSA-N 0 3 387.528 0.923 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)N(C)CCN2CCCCC2)cc1F ZINC000653362020 1194989797 /nfs/dbraw/zinc/98/97/97/1194989797.db2.gz AWUYXCFIPFHJCY-UHFFFAOYSA-N 0 3 392.475 0.924 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(=O)c3cccs3)CCN2C1=O ZINC000515673032 1194990272 /nfs/dbraw/zinc/99/02/72/1194990272.db2.gz NJYNIQIQLBVYOM-BFHYXJOUSA-N 0 3 376.482 0.513 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)c3cccs3)CCN2C1=O ZINC000515673035 1194990316 /nfs/dbraw/zinc/99/03/16/1194990316.db2.gz NJYNIQIQLBVYOM-MJBXVCDLSA-N 0 3 376.482 0.513 20 0 GCADHN COCC(C)(C)N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000425501778 1194993541 /nfs/dbraw/zinc/99/35/41/1194993541.db2.gz GFMXVQFCQUBXNH-OAHLLOKOSA-N 0 3 375.469 0.686 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCCN(C(=O)C3CCC3)C3CC3)CCN2C1=O ZINC000515872198 1195003906 /nfs/dbraw/zinc/00/39/06/1195003906.db2.gz VQMJUUFWBJKRMZ-JKSUJKDBSA-N 0 3 377.489 0.121 20 0 GCADHN Cn1cc(S(=O)(=O)N(CCN2CCCCCC2)C2CCC2)c(=O)n(C)c1=O ZINC000515890160 1195004783 /nfs/dbraw/zinc/00/47/83/1195004783.db2.gz ZALSDFVCUMXXTC-UHFFFAOYSA-N 0 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1195122951 /nfs/dbraw/zinc/12/29/51/1195122951.db2.gz OJNOBFXIWIFPMD-BLLLJJGKSA-N 0 3 397.472 0.861 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(NS(C)(=O)=O)cc3)[C@@H]2C1 ZINC000425823649 1195123842 /nfs/dbraw/zinc/12/38/42/1195123842.db2.gz WYGBFILKZHGFQR-SWLSCSKDSA-N 0 3 380.470 0.549 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(CS(C)(=O)=O)c3)[C@@H]2C1 ZINC000425823646 1195124005 /nfs/dbraw/zinc/12/40/05/1195124005.db2.gz WXRZYRFLQWHYAG-GOEBONIOSA-N 0 3 379.482 0.722 20 0 GCADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2C[C@H](C)NC[C@H]2C)cc1 ZINC000517028503 1195125882 /nfs/dbraw/zinc/12/58/82/1195125882.db2.gz GCCUTFRGLBMGMW-QWHCGFSZSA-N 0 3 383.470 0.350 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000517029568 1195126266 /nfs/dbraw/zinc/12/62/66/1195126266.db2.gz VSONKZQAUUFJJN-TZMCWYRMSA-N 0 3 389.460 0.153 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000517029565 1195126312 /nfs/dbraw/zinc/12/63/12/1195126312.db2.gz 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CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425876477 1195144611 /nfs/dbraw/zinc/14/46/11/1195144611.db2.gz BGGFQQRJJBMZOJ-KRWDZBQOSA-N 0 3 382.549 0.936 20 0 GCADHN Cc1cc(CN2CCN(C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)no1 ZINC000517214454 1195154172 /nfs/dbraw/zinc/15/41/72/1195154172.db2.gz LCJYIXCUTQQJAJ-UHFFFAOYSA-N 0 3 378.521 0.836 20 0 GCADHN COc1ccnc(CNC(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)n1 ZINC000425893954 1195155868 /nfs/dbraw/zinc/15/58/68/1195155868.db2.gz SVSNLUMIOGDKQJ-CQSZACIVSA-N 0 3 398.467 0.838 20 0 GCADHN COc1ccnc(CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)n1 ZINC000425900502 1195158966 /nfs/dbraw/zinc/15/89/66/1195158966.db2.gz QYMKNFSGOKFUFO-UHFFFAOYSA-N 0 3 389.431 0.831 20 0 GCADHN CON1CCC(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425907508 1195160050 /nfs/dbraw/zinc/16/00/50/1195160050.db2.gz CIFUCSHNNDKNNU-PKOBYXMFSA-N 0 3 386.496 0.861 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(OC(F)F)n(C)n2)CC1 ZINC000425915147 1195166822 /nfs/dbraw/zinc/16/68/22/1195166822.db2.gz CWDDUQRGGFMZMQ-NSHDSACASA-N 0 3 388.419 0.102 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000517277199 1195166884 /nfs/dbraw/zinc/16/68/84/1195166884.db2.gz ATCLLFGDIKPTMC-UHFFFAOYSA-N 0 3 385.486 0.374 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(F)c(S(N)(=O)=O)c2)n1 ZINC000664665932 1195172132 /nfs/dbraw/zinc/17/21/32/1195172132.db2.gz SIHHJMZKUHVVSE-UHFFFAOYSA-N 0 3 399.452 0.495 20 0 GCADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@H]2CCCS2(=O)=O)cc1 ZINC000517392203 1195178007 /nfs/dbraw/zinc/17/80/07/1195178007.db2.gz VNZDQPCDNILROU-KRWDZBQOSA-N 0 3 393.509 0.706 20 0 GCADHN Nc1noc(CCNC(=O)NCCCCN2CCN(c3ccccc3)CC2)n1 ZINC000437996132 1195180434 /nfs/dbraw/zinc/18/04/34/1195180434.db2.gz BFQLDLNSDZRRRY-UHFFFAOYSA-N 0 3 387.488 1.096 20 0 GCADHN CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001270312070 1195191282 /nfs/dbraw/zinc/19/12/82/1195191282.db2.gz JUKYVHSDEDYORJ-MAUKXSAKSA-N 0 3 382.530 0.453 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)Cc3ccc(Cl)cn3)C[C@@]2(F)C1=O ZINC001270318231 1195197395 /nfs/dbraw/zinc/19/73/95/1195197395.db2.gz DQXSEYVXAWVIIF-IAGOWNOFSA-N 0 3 386.830 0.940 20 0 GCADHN Cc1cc2ncn(C[C@@H](O)CN(C)[C@@H]3CCN(S(C)(=O)=O)C3)c2cc1C ZINC000292345735 1195201212 /nfs/dbraw/zinc/20/12/12/1195201212.db2.gz XEBZJDHEPREMHW-CVEARBPZSA-N 0 3 380.514 0.980 20 0 GCADHN COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000438272198 1195201858 /nfs/dbraw/zinc/20/18/58/1195201858.db2.gz PTRHTPGIGMYKCF-KRWDZBQOSA-N 0 3 391.468 0.768 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@]2(CCCOC2)O1 ZINC000517649040 1195204117 /nfs/dbraw/zinc/20/41/17/1195204117.db2.gz WRNIDUNZGKZKOU-UWVAXJGDSA-N 0 3 396.532 0.909 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@]2(CCCOC2)O1 ZINC000517649038 1195204408 /nfs/dbraw/zinc/20/44/08/1195204408.db2.gz WRNIDUNZGKZKOU-HLIPFELVSA-N 0 3 396.532 0.909 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000517685855 1195207508 /nfs/dbraw/zinc/20/75/08/1195207508.db2.gz JZXLSTNTLFNSKB-IRXDYDNUSA-N 0 3 378.517 0.648 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C[C@H](C)S1(=O)=O ZINC000517741887 1195212051 /nfs/dbraw/zinc/21/20/51/1195212051.db2.gz HVTAHSCVTSKGNO-ZENOOKHLSA-N 0 3 379.482 0.105 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cccc(-c2cn(C)nn2)c1 ZINC000517759626 1195214703 /nfs/dbraw/zinc/21/47/03/1195214703.db2.gz RRULHZVNKTWQSS-UHFFFAOYSA-N 0 3 399.499 0.517 20 0 GCADHN CN1CCN(CCCCNC(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000517773627 1195216198 /nfs/dbraw/zinc/21/61/98/1195216198.db2.gz OFETVJAXJDTJTP-UHFFFAOYSA-N 0 3 393.507 0.811 20 0 GCADHN Cc1cnc([C@H](C)CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)s1 ZINC000517778578 1195216473 /nfs/dbraw/zinc/21/64/73/1195216473.db2.gz YJPQMWFVABYCBI-CQSZACIVSA-N 0 3 381.546 0.767 20 0 GCADHN Cc1cnc([C@@H](C)CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)s1 ZINC000517778573 1195216556 /nfs/dbraw/zinc/21/65/56/1195216556.db2.gz YJPQMWFVABYCBI-AWEZNQCLSA-N 0 3 381.546 0.767 20 0 GCADHN CN(C)CCN1CC[C@]2(CCN(C(=O)Cc3csc(NC=O)n3)C2)C1=O ZINC001270349565 1195219363 /nfs/dbraw/zinc/21/93/63/1195219363.db2.gz KGANUBCCTLNPSB-QGZVFWFLSA-N 0 3 379.486 0.267 20 0 GCADHN C[C@H](CNC(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1)CN1CCN(C)CC1 ZINC000293011349 1195219635 /nfs/dbraw/zinc/21/96/35/1195219635.db2.gz NZVYAUYYLBMMOV-RYRKJORJSA-N 0 3 375.517 0.827 20 0 GCADHN CC(C)[C@H](C(=O)N[C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC000517814125 1195219931 /nfs/dbraw/zinc/21/99/31/1195219931.db2.gz KLPCINBFNNUXLH-ARFHVFGLSA-N 0 3 387.546 0.553 20 0 GCADHN COC(=O)[C@](C)(CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)cc1 ZINC000517845395 1195222903 /nfs/dbraw/zinc/22/29/03/1195222903.db2.gz OFVDDAIZVCUGBN-VBKZILBWSA-N 0 3 393.459 0.783 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC2(CCOCC2)[C@H]1C)CN1CCN(C)CC1 ZINC000517974248 1195232958 /nfs/dbraw/zinc/23/29/58/1195232958.db2.gz QQIKWHJYSOELCQ-DLBZAZTESA-N 0 3 380.533 0.404 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426108825 1195236096 /nfs/dbraw/zinc/23/60/96/1195236096.db2.gz JIEBROTYOXPPBY-UTUOFQBUSA-N 0 3 378.395 0.099 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cnn2c1OCCC2 ZINC000518022691 1195239536 /nfs/dbraw/zinc/23/95/36/1195239536.db2.gz JNYIKCLRWDGFJV-HNNXBMFYSA-N 0 3 385.534 0.702 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)CCC(=O)N1CCC(O)CC1 ZINC000426144698 1195247861 /nfs/dbraw/zinc/24/78/61/1195247861.db2.gz GKRPVBDWWVJNTG-UHFFFAOYSA-N 0 3 382.549 0.626 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000426147593 1195248024 /nfs/dbraw/zinc/24/80/24/1195248024.db2.gz CMGFXTPKYNLSKW-UHFFFAOYSA-N 0 3 390.528 0.927 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)c1cc(S(N)(=O)=O)c(C)o1 ZINC000426149422 1195248614 /nfs/dbraw/zinc/24/86/14/1195248614.db2.gz APQISUYQLJVUHW-UHFFFAOYSA-N 0 3 386.518 0.725 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000426155867 1195250338 /nfs/dbraw/zinc/25/03/38/1195250338.db2.gz BRYLZQCSRRSANF-UHFFFAOYSA-N 0 3 383.518 0.219 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)CNC(=O)NCc1ccco1 ZINC000426157742 1195250705 /nfs/dbraw/zinc/25/07/05/1195250705.db2.gz XLKXSMBAFHHMJM-UHFFFAOYSA-N 0 3 379.505 0.955 20 0 GCADHN O=C(NCC(F)(F)F)[C@@H]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000426162043 1195252335 /nfs/dbraw/zinc/25/23/35/1195252335.db2.gz OKSNTTNVLSNYJR-LLVKDONJSA-N 0 3 376.379 0.851 20 0 GCADHN COC[C@H](C)N(C)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000518128605 1195252380 /nfs/dbraw/zinc/25/23/80/1195252380.db2.gz QKZLBQYRPSLEDW-AWEZNQCLSA-N 0 3 390.484 0.816 20 0 GCADHN Cc1cc([C@@H](C)NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)c(C)s1 ZINC000653370282 1195253294 /nfs/dbraw/zinc/25/32/94/1195253294.db2.gz JUGCBTHWKMHCDJ-CYBMUJFWSA-N 0 3 380.514 0.775 20 0 GCADHN CSc1ccc([C@@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)N(C)C)cc1 ZINC000294507954 1195255759 /nfs/dbraw/zinc/25/57/59/1195255759.db2.gz ROMFKCZAIULZQI-CYBMUJFWSA-N 0 3 378.454 0.548 20 0 GCADHN CC(C)[C@@H](CO)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000509560851 1195257562 /nfs/dbraw/zinc/25/75/62/1195257562.db2.gz SFFHZDLFXIHTHS-CYBMUJFWSA-N 0 3 392.456 0.475 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1=O ZINC000426192696 1195260301 /nfs/dbraw/zinc/26/03/01/1195260301.db2.gz QVTTZZOKAIADKE-GOEBONIOSA-N 0 3 396.488 0.045 20 0 GCADHN CN(C)c1nccc(CNC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)n1 ZINC000506401682 1195260383 /nfs/dbraw/zinc/26/03/83/1195260383.db2.gz LPFFVOYSDFMXMU-UHFFFAOYSA-N 0 3 396.495 0.374 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1=O ZINC000426192698 1195260439 /nfs/dbraw/zinc/26/04/39/1195260439.db2.gz QVTTZZOKAIADKE-ZBFHGGJFSA-N 0 3 396.488 0.045 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc(F)cc1F ZINC000518218856 1195268885 /nfs/dbraw/zinc/26/88/85/1195268885.db2.gz SJJHBPYFMORWFZ-CQDKDKBSSA-N 0 3 380.395 0.303 20 0 GCADHN CN(C)[C@@H](CNC(=O)N1CCN(C(C)(C)C(N)=O)CC1)Cc1ccccc1 ZINC000426245227 1195274381 /nfs/dbraw/zinc/27/43/81/1195274381.db2.gz TXFGWWRECZLCDA-QGZVFWFLSA-N 0 3 375.517 0.750 20 0 GCADHN CSCC(=O)N1CCC2(C[C@@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001270422377 1195275067 /nfs/dbraw/zinc/27/50/67/1195275067.db2.gz CFZKEPBGKLDHJC-MRXNPFEDSA-N 0 3 382.574 0.732 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cnn(CCOC)c1 ZINC000438996237 1195276706 /nfs/dbraw/zinc/27/67/06/1195276706.db2.gz DMWAEQWLUZJTQX-MRXNPFEDSA-N 0 3 387.550 0.566 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000439197127 1195295490 /nfs/dbraw/zinc/29/54/90/1195295490.db2.gz IFYBHQROXRJTRM-UHFFFAOYSA-N 0 3 396.513 0.868 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1NS(C)(=O)=O ZINC000439221579 1195296907 /nfs/dbraw/zinc/29/69/07/1195296907.db2.gz IBFGOOUBJRJREO-UHFFFAOYSA-N 0 3 382.486 0.859 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000439219359 1195296929 /nfs/dbraw/zinc/29/69/29/1195296929.db2.gz ZFHBYWWHJUYXHP-UHFFFAOYSA-N 0 3 387.440 0.231 20 0 GCADHN C[C@H](CNCC(=O)N(C)c1nccs1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001270460155 1195297883 /nfs/dbraw/zinc/29/78/83/1195297883.db2.gz HNXCSHBUOVEWOV-ULSDXFBPSA-N 0 3 378.498 0.871 20 0 GCADHN N[C@@H]1C[C@H]2CN(CC(=O)N3c4ccccc4NC(=O)C34CCCC4)CCN2C1=O ZINC000518563986 1195304285 /nfs/dbraw/zinc/30/42/85/1195304285.db2.gz CBVCJCZXZAIJIX-LSDHHAIUSA-N 0 3 397.479 0.528 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)[C@H](CC)CO1 ZINC000653376744 1195305217 /nfs/dbraw/zinc/30/52/17/1195305217.db2.gz JEHKNDWWUYONDR-RCCFBDPRSA-N 0 3 382.549 0.792 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CCC(C)CC2)c(C)c1 ZINC000280772510 1195305858 /nfs/dbraw/zinc/30/58/58/1195305858.db2.gz PIDVZTFHJAVHTN-UHFFFAOYSA-N 0 3 390.484 0.906 20 0 GCADHN CNC(=O)CCN(C)C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000439306986 1195306831 /nfs/dbraw/zinc/30/68/31/1195306831.db2.gz VSNUYLPZZWZIBY-UHFFFAOYSA-N 0 3 389.500 0.750 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000439358667 1195313213 /nfs/dbraw/zinc/31/32/13/1195313213.db2.gz ZUCWGIJZLYSXDE-CQSZACIVSA-N 0 3 375.473 0.678 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCC(O)(CO)CC1 ZINC000664750061 1195317013 /nfs/dbraw/zinc/31/70/13/1195317013.db2.gz QZDRPLKAGPUPKD-SFHVURJKSA-N 0 3 377.485 0.806 20 0 GCADHN CCN1CCN(CCCNC(=O)c2cc3c(nc4ccccn4c3=O)n2C)CC1 ZINC000439419771 1195318455 /nfs/dbraw/zinc/31/84/55/1195318455.db2.gz XQIATWMDGNDTHT-UHFFFAOYSA-N 0 3 396.495 0.944 20 0 GCADHN Cc1nc(CN2CC3(CN(C(=O)[C@@H](C)N4CCCC4)C3)OCC2=O)cs1 ZINC001270489317 1195318610 /nfs/dbraw/zinc/31/86/10/1195318610.db2.gz GBXGQQPDQODRKE-CYBMUJFWSA-N 0 3 378.498 0.876 20 0 GCADHN CCS(=O)(=O)CCN1CC[C@]2(CCN(C(=O)[C@H](C)N3CCCC3)C2)C1=O ZINC001270491464 1195320462 /nfs/dbraw/zinc/32/04/62/1195320462.db2.gz WGYIJONDJSDGGI-MAUKXSAKSA-N 0 3 385.530 0.356 20 0 GCADHN Cc1cc(C)n(-c2ccc(CCNC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2)n1 ZINC000518797628 1195334412 /nfs/dbraw/zinc/33/44/12/1195334412.db2.gz BWZIMEYITNSFOG-MOPGFXCFSA-N 0 3 396.495 0.985 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000439622037 1195336518 /nfs/dbraw/zinc/33/65/18/1195336518.db2.gz DUSXLUBCUNNHCC-UHFFFAOYSA-N 0 3 377.363 0.442 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC([C@@H]2CCCO2)CC1 ZINC000439640636 1195338612 /nfs/dbraw/zinc/33/86/12/1195338612.db2.gz DDHMJGZMGYOBEE-IBGZPJMESA-N 0 3 382.549 0.977 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)Cc3cc(Cl)ccn3)C[C@@]2(F)C1=O ZINC001270522454 1195341431 /nfs/dbraw/zinc/34/14/31/1195341431.db2.gz GHYSNBPLFXKLSA-IAGOWNOFSA-N 0 3 386.830 0.940 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)Cc3cc(Cl)ccn3)C2)OCC1=O ZINC001270524202 1195342745 /nfs/dbraw/zinc/34/27/45/1195342745.db2.gz UBABABQHHXPSSG-GOSISDBHSA-N 0 3 380.876 0.669 20 0 GCADHN CN(C(=O)NC[C@H]1NCCc2ccccc21)C1CCN(S(C)(=O)=O)CC1 ZINC000518941680 1195348083 /nfs/dbraw/zinc/34/80/83/1195348083.db2.gz VRPPTNYWIRDQRX-QGZVFWFLSA-N 0 3 380.514 0.939 20 0 GCADHN O=S(=O)(CCNC[C@H](O)COc1ccccc1F)NC[C@H]1CCCCO1 ZINC000518964895 1195352154 /nfs/dbraw/zinc/35/21/54/1195352154.db2.gz FOPSYJXDTGUIJQ-LSDHHAIUSA-N 0 3 390.477 0.644 20 0 GCADHN Cc1cc(N2CCC(NC(=O)N(C)CCCN3CCN(C)CC3)CC2)n[nH]1 ZINC000439840166 1195357084 /nfs/dbraw/zinc/35/70/84/1195357084.db2.gz IMEHQBQEFQNEGM-UHFFFAOYSA-N 0 3 377.537 0.966 20 0 GCADHN CC(=O)NC[C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000298557859 1195372444 /nfs/dbraw/zinc/37/24/44/1195372444.db2.gz MESMYFLPMIVCHF-QGZVFWFLSA-N 0 3 392.500 0.853 20 0 GCADHN Cc1cnc(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)s1 ZINC000519213838 1195382561 /nfs/dbraw/zinc/38/25/61/1195382561.db2.gz XFCMZIWUEMYVRC-OAHLLOKOSA-N 0 3 379.530 0.695 20 0 GCADHN C[C@@H](O)CN1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000298889860 1195384829 /nfs/dbraw/zinc/38/48/29/1195384829.db2.gz ACHBXTVQIYIADE-MRXNPFEDSA-N 0 3 394.491 0.241 20 0 GCADHN COc1cc(CNCCn2cncn2)ccc1OCC(=O)N1CCOCC1 ZINC000299352555 1195395515 /nfs/dbraw/zinc/39/55/15/1195395515.db2.gz RSOGIFIVLWUXOK-UHFFFAOYSA-N 0 3 375.429 0.314 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000519368556 1195396512 /nfs/dbraw/zinc/39/65/12/1195396512.db2.gz VACMOLXHVSABAO-UHFFFAOYSA-N 0 3 387.546 0.584 20 0 GCADHN CNC(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)c1 ZINC000519388372 1195399788 /nfs/dbraw/zinc/39/97/88/1195399788.db2.gz KUSCLJQNQDRLPS-UHFFFAOYSA-N 0 3 390.484 0.990 20 0 GCADHN CN(C)Cc1cccc(NC(=O)NCCNS(=O)(=O)Cc2ccon2)c1 ZINC000426630304 1195405755 /nfs/dbraw/zinc/40/57/55/1195405755.db2.gz IGCJACNIBLJPLV-UHFFFAOYSA-N 0 3 381.458 0.977 20 0 GCADHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCN1C(=O)CNC1=O ZINC000519476630 1195413290 /nfs/dbraw/zinc/41/32/90/1195413290.db2.gz HLRKBFXFSOJCHQ-UHFFFAOYSA-N 0 3 386.456 0.573 20 0 GCADHN Cc1nc(Cn2nnc(C(=O)NCCCCN3C[C@@H](C)O[C@H](C)C3)c2C)no1 ZINC000426653992 1195416498 /nfs/dbraw/zinc/41/64/98/1195416498.db2.gz HHMFRDDZOQJYBJ-CHWSQXEVSA-N 0 3 391.476 0.945 20 0 GCADHN CC(=O)N1CCC(CNC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000550034474 1195418005 /nfs/dbraw/zinc/41/80/05/1195418005.db2.gz NAGRJOJLKMDPOQ-LJQANCHMSA-N 0 3 388.512 0.650 20 0 GCADHN CCCN1CCCN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1=O ZINC000550035705 1195418394 /nfs/dbraw/zinc/41/83/94/1195418394.db2.gz WBIMMEVQUOIHFD-GOSISDBHSA-N 0 3 388.512 0.746 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12)Cc1ccccc1 ZINC000550038106 1195422672 /nfs/dbraw/zinc/42/26/72/1195422672.db2.gz ZJOAUIPCUWRAQV-BZSNNMDCSA-N 0 3 386.496 0.545 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1=O ZINC000187823083 1195422852 /nfs/dbraw/zinc/42/28/52/1195422852.db2.gz BGZLZZVWTWBDBI-WWGRRREGSA-N 0 3 379.423 0.996 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000519549491 1195429184 /nfs/dbraw/zinc/42/91/84/1195429184.db2.gz KYBNQCBBUOUUIC-GDBMZVCRSA-N 0 3 394.497 0.005 20 0 GCADHN CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000110683158 1195430014 /nfs/dbraw/zinc/43/00/14/1195430014.db2.gz WZLYGDPRUACYNA-LJQANCHMSA-N 0 3 388.512 0.924 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)CC1 ZINC000119879993 1195431171 /nfs/dbraw/zinc/43/11/71/1195431171.db2.gz PDAYIPMZBORFMW-XLIONFOSSA-N 0 3 392.548 0.951 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550096824 1195435493 /nfs/dbraw/zinc/43/54/93/1195435493.db2.gz LPKKOCQETDGRMH-FGTMMUONSA-N 0 3 398.548 0.075 20 0 GCADHN C[C@@H](NC(=O)CN(C)C(=O)c1cccs1)C(=O)NCCN1CCCCC1 ZINC000550115590 1195440773 /nfs/dbraw/zinc/44/07/73/1195440773.db2.gz KHMKCQQNRIHUCC-CQSZACIVSA-N 0 3 380.514 0.927 20 0 GCADHN C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)NCCN1CCCCC1 ZINC000550117845 1195441446 /nfs/dbraw/zinc/44/14/46/1195441446.db2.gz XYTZERZDCXFLLQ-CYBMUJFWSA-N 0 3 386.452 0.633 20 0 GCADHN C[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)NCCN1CCCCC1 ZINC000550131895 1195443271 /nfs/dbraw/zinc/44/32/71/1195443271.db2.gz AFLYOQQHMQSQJW-OAHLLOKOSA-N 0 3 395.525 0.952 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](O)C2)cc1)[C@H]1CCCN(C)C1 ZINC000473694273 1195444553 /nfs/dbraw/zinc/44/45/53/1195444553.db2.gz WZNCXTZRDQFUMK-DLBZAZTESA-N 0 3 388.468 0.385 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)N(C)C)cc1 ZINC000049488533 1195450479 /nfs/dbraw/zinc/45/04/79/1195450479.db2.gz FPZXQSSSWXWJMM-OAHLLOKOSA-N 0 3 398.467 0.161 20 0 GCADHN Cc1ccc(-c2nnn(CC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)n2)cc1 ZINC000101696782 1195455391 /nfs/dbraw/zinc/45/53/91/1195455391.db2.gz AGJLCSBPDSCHKQ-KRWDZBQOSA-N 0 3 399.499 0.707 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCCc1nnc2n1CCCCC2)N1CCC(C)CC1 ZINC000550203022 1195460434 /nfs/dbraw/zinc/46/04/34/1195460434.db2.gz KZGDCQASMZLPLE-INIZCTEOSA-N 0 3 390.532 0.900 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@@H](C)O1 ZINC000550208559 1195461014 /nfs/dbraw/zinc/46/10/14/1195461014.db2.gz FNHHTCOIUXDUQK-BRWVUGGUSA-N 0 3 380.533 0.687 20 0 GCADHN C[C@H](CNC(=O)c1cccc(N2CCCS2(=O)=O)c1)CN1CCN(C)CC1 ZINC000121863846 1195464717 /nfs/dbraw/zinc/46/47/17/1195464717.db2.gz DMSSJKZBCWXORM-MRXNPFEDSA-N 0 3 394.541 0.840 20 0 GCADHN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894772835 1195469840 /nfs/dbraw/zinc/46/98/40/1195469840.db2.gz DZFWGDYJWIRAKZ-KSZLIROESA-N 0 3 393.532 0.907 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000550248493 1195470148 /nfs/dbraw/zinc/47/01/48/1195470148.db2.gz NIADNDFNBRMQKR-UHFFFAOYSA-N 0 3 398.389 0.919 20 0 GCADHN C[C@@H](c1ccccc1)N(C)C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000550249993 1195470401 /nfs/dbraw/zinc/47/04/01/1195470401.db2.gz IDQAOVLVHIRXNQ-SFHVURJKSA-N 0 3 390.528 0.712 20 0 GCADHN COC(=O)[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC000473828952 1195471910 /nfs/dbraw/zinc/47/19/10/1195471910.db2.gz KRNVEYFLTYMWME-OAGGEKHMSA-N 0 3 382.505 0.770 20 0 GCADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894799772 1195472884 /nfs/dbraw/zinc/47/28/84/1195472884.db2.gz AJXHGJNUBIDNBR-OAGGEKHMSA-N 0 3 388.534 0.041 20 0 GCADHN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894809843 1195474540 /nfs/dbraw/zinc/47/45/40/1195474540.db2.gz BLXBOEDFTAIYRX-ILXRZTDVSA-N 0 3 394.438 0.490 20 0 GCADHN CCc1nc(C)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000426692059 1195477452 /nfs/dbraw/zinc/47/74/52/1195477452.db2.gz ODXSSTNEVZAZMB-UHFFFAOYSA-N 0 3 393.513 0.719 20 0 GCADHN COC(=O)CCn1nc(C)c(CN2CCC(C(=O)NCCCO)CC2)c1C ZINC000506892759 1195479021 /nfs/dbraw/zinc/47/90/21/1195479021.db2.gz FITLPJURTWTCFW-UHFFFAOYSA-N 0 3 380.489 0.774 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000506927206 1195480316 /nfs/dbraw/zinc/48/03/16/1195480316.db2.gz AIFXPOXUJVRCHN-ZDUSSCGKSA-N 0 3 382.486 0.375 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)[C@@H](C)[C@H]1OC ZINC000519592857 1195500919 /nfs/dbraw/zinc/50/09/19/1195500919.db2.gz WDMXQWMYIMJNMP-BSDSXHPESA-N 0 3 396.576 0.942 20 0 GCADHN CC(C)(C)NS(=O)(=O)C1(CN2C(=O)N[C@H](CN3CCCCC3)C2=O)CC1 ZINC000925084028 1195501341 /nfs/dbraw/zinc/50/13/41/1195501341.db2.gz WSITWGATDKCNFD-CYBMUJFWSA-N 0 3 386.518 0.643 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000507367451 1195514686 /nfs/dbraw/zinc/51/46/86/1195514686.db2.gz FWYXCWONNONJBL-SOLBZPMBSA-N 0 3 381.517 0.877 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CCCCO2)CC1 ZINC000507385841 1195516842 /nfs/dbraw/zinc/51/68/42/1195516842.db2.gz ZNHTZVYSIIHRPT-MRXNPFEDSA-N 0 3 382.505 0.074 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000427231937 1195517305 /nfs/dbraw/zinc/51/73/05/1195517305.db2.gz NVQJQRVDZIDIED-UHFFFAOYSA-N 0 3 399.495 0.573 20 0 GCADHN COc1ccc(CCNC(=O)N[C@H]2CCCN(C)[C@H]2C)cc1S(N)(=O)=O ZINC000507414632 1195518482 /nfs/dbraw/zinc/51/84/82/1195518482.db2.gz PSUMMZMJPCEPHW-JSGCOSHPSA-N 0 3 384.502 0.667 20 0 GCADHN CCN1CCC[C@@H](NC(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)C1 ZINC000507414503 1195519072 /nfs/dbraw/zinc/51/90/72/1195519072.db2.gz PHMMFGFZLKTSNP-CQSZACIVSA-N 0 3 384.502 0.669 20 0 GCADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000507441131 1195519916 /nfs/dbraw/zinc/51/99/16/1195519916.db2.gz KGGSCWQFSFXYNR-QGZVFWFLSA-N 0 3 390.484 0.783 20 0 GCADHN CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000427320356 1195526688 /nfs/dbraw/zinc/52/66/88/1195526688.db2.gz LTSMIHDLXPZYFP-LJQANCHMSA-N 0 3 390.440 0.468 20 0 GCADHN Cc1nc(CCNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)sc1C ZINC000507525605 1195529929 /nfs/dbraw/zinc/52/99/29/1195529929.db2.gz GDZQQMJDTGHOML-OAHLLOKOSA-N 0 3 382.530 0.988 20 0 GCADHN Cc1nc(C)c(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000507591475 1195537153 /nfs/dbraw/zinc/53/71/53/1195537153.db2.gz VDYYEGZBYJPQQG-UHFFFAOYSA-N 0 3 393.513 0.143 20 0 GCADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)NC2CCN(CCOC)CC2)cn1 ZINC000487382585 1195537236 /nfs/dbraw/zinc/53/72/36/1195537236.db2.gz VPNGOJOKMSDAOR-AEFFLSMTSA-N 0 3 392.504 0.633 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN[C@H](C)[C@H]2C)C1 ZINC000366789987 1195540205 /nfs/dbraw/zinc/54/02/05/1195540205.db2.gz JQFBVWDZYMTDDH-KYOSRNDESA-N 0 3 384.502 0.901 20 0 GCADHN COC[C@H](CNC(=O)[C@H]1CCCN1C1CC1)NC(=O)[C@H]1CCCN1C1CC1 ZINC000427496240 1195545961 /nfs/dbraw/zinc/54/59/61/1195545961.db2.gz VELUTEDSDBBYIP-BMGDILEWSA-N 0 3 378.517 0.487 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000664880095 1195550485 /nfs/dbraw/zinc/55/04/85/1195550485.db2.gz VOQOOXFPTVBPNY-INIZCTEOSA-N 0 3 396.536 0.328 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000664912514 1195554401 /nfs/dbraw/zinc/55/44/01/1195554401.db2.gz ZOLSCRQMBVTPQI-WBVHZDCISA-N 0 3 395.529 0.441 20 0 GCADHN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000519617897 1195558216 /nfs/dbraw/zinc/55/82/16/1195558216.db2.gz QFWLYXOKJGWTOF-GJZGRUSLSA-N 0 3 396.451 0.198 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC000519633564 1195560096 /nfs/dbraw/zinc/56/00/96/1195560096.db2.gz JILAOABPKFXBFZ-BRWVUGGUSA-N 0 3 396.532 0.367 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(CCC(F)(F)F)cc3)CCN2C1=O ZINC000519656842 1195560405 /nfs/dbraw/zinc/56/04/05/1195560405.db2.gz VTDWLOHBYKLIKN-KBPBESRZSA-N 0 3 398.385 0.890 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4ccccc4Cl)CC3)CCN2C1=O ZINC000519715914 1195567014 /nfs/dbraw/zinc/56/70/14/1195567014.db2.gz STPJUDBYWDUOQJ-WFASDCNBSA-N 0 3 390.871 0.258 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCn1cccn1 ZINC000519754077 1195569569 /nfs/dbraw/zinc/56/95/69/1195569569.db2.gz HLPUSDSDRKWPRU-UHFFFAOYSA-N 0 3 379.411 0.868 20 0 GCADHN NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000519821354 1195576202 /nfs/dbraw/zinc/57/62/02/1195576202.db2.gz DBAUZNJISVEQEN-RDJZCZTQSA-N 0 3 380.876 0.389 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)[C@]1(F)CCCCC1(F)F)C2 ZINC001270817144 1195580885 /nfs/dbraw/zinc/58/08/85/1195580885.db2.gz VBPHKTXASHVOSY-MRXNPFEDSA-N 0 3 377.407 0.905 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188058648 1195581925 /nfs/dbraw/zinc/58/19/25/1195581925.db2.gz IAZHWPANHYBMAY-UHFFFAOYSA-N 0 3 391.516 0.790 20 0 GCADHN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c(N2CCOCC2)c1 ZINC000440816557 1195584118 /nfs/dbraw/zinc/58/41/18/1195584118.db2.gz NDWAUKVANDYAKP-GOSISDBHSA-N 0 3 388.512 0.858 20 0 GCADHN CCCN(CCN(C)C)C(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000440839243 1195585565 /nfs/dbraw/zinc/58/55/65/1195585565.db2.gz APONNWIELFJKIG-UHFFFAOYSA-N 0 3 385.476 0.665 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000519965092 1195585681 /nfs/dbraw/zinc/58/56/81/1195585681.db2.gz IMSSRJDFYIWLLA-UHFFFAOYSA-N 0 3 388.516 0.577 20 0 GCADHN CCS(=O)(=O)N1CCC(NC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000440990088 1195593931 /nfs/dbraw/zinc/59/39/31/1195593931.db2.gz MIXFZIUHHPUHQB-UHFFFAOYSA-N 0 3 389.566 0.126 20 0 GCADHN CN1CCN(CCNC(=O)NCCS(=O)(=O)NCC2CCC2)CC1(C)C ZINC000440991067 1195594464 /nfs/dbraw/zinc/59/44/64/1195594464.db2.gz WQIPOMORJCYRSQ-UHFFFAOYSA-N 0 3 389.566 0.031 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[S@](=O)C3)c2)CC1 ZINC000441200518 1195610149 /nfs/dbraw/zinc/61/01/49/1195610149.db2.gz PTIORHROOZWZGX-WZQKQDCOSA-N 0 3 378.498 0.404 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCC([C@H](O)C(=O)OC)CC2)cc1 ZINC000441223449 1195610923 /nfs/dbraw/zinc/61/09/23/1195610923.db2.gz ABMQVDOSLSBXMH-WBVHZDCISA-N 0 3 381.425 0.459 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCc2cc[nH]n2)CC1 ZINC000520258769 1195610945 /nfs/dbraw/zinc/61/09/45/1195610945.db2.gz DYSCIERHTVMGEP-UHFFFAOYSA-N 0 3 384.484 0.480 20 0 GCADHN COc1ncc(Cl)cc1C(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001270843460 1195616050 /nfs/dbraw/zinc/61/60/50/1195616050.db2.gz GFPJNXRNVIHAQY-UHFFFAOYSA-N 0 3 382.848 0.359 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1)N1CCC[C@H](C)C1 ZINC000550358490 1195643607 /nfs/dbraw/zinc/64/36/07/1195643607.db2.gz UBHCRRBYWLRCJH-LSDHHAIUSA-N 0 3 378.517 0.740 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1)N1CCC[C@@H](C)C1 ZINC000550358488 1195643756 /nfs/dbraw/zinc/64/37/56/1195643756.db2.gz UBHCRRBYWLRCJH-HUUCEWRRSA-N 0 3 378.517 0.740 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)N1CCCCC1 ZINC000550365022 1195644328 /nfs/dbraw/zinc/64/43/28/1195644328.db2.gz RFGIZSZIQYRHAZ-OAHLLOKOSA-N 0 3 379.505 0.430 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CCC(CS(C)(=O)=O)CC1 ZINC000664978503 1195646287 /nfs/dbraw/zinc/64/62/87/1195646287.db2.gz CUBSMXSCJVSSEQ-UHFFFAOYSA-N 0 3 390.550 0.251 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000550375325 1195650007 /nfs/dbraw/zinc/65/00/07/1195650007.db2.gz BKNHZGSBVVJTSN-UHFFFAOYSA-N 0 3 376.457 0.555 20 0 GCADHN CC(C)[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c2ccccc21 ZINC000520430704 1195654465 /nfs/dbraw/zinc/65/44/65/1195654465.db2.gz IRLBAKZDCADIEB-LNMJFAINSA-N 0 3 398.507 0.800 20 0 GCADHN C[C@@H](O)C(=O)N1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000124238537 1195656501 /nfs/dbraw/zinc/65/65/01/1195656501.db2.gz MEHVBSAHBDTALB-GOSISDBHSA-N 0 3 388.512 0.640 20 0 GCADHN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN(CCO)C3CCOCC3)CC2)C1 ZINC000328624041 1195656967 /nfs/dbraw/zinc/65/69/67/1195656967.db2.gz ZGTXYEWHIVUUSM-QGZVFWFLSA-N 0 3 395.544 0.957 20 0 GCADHN Cc1n[nH]c(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c1C ZINC000328844214 1195670475 /nfs/dbraw/zinc/67/04/75/1195670475.db2.gz PUYNCXFWWQRKRA-OAHLLOKOSA-N 0 3 399.499 0.603 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCN1CCN(CC)CC1 ZINC000053029746 1195675886 /nfs/dbraw/zinc/67/58/86/1195675886.db2.gz ASYNYGJYIUUVHN-KRWDZBQOSA-N 0 3 388.578 0.725 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)nn1 ZINC000441431763 1195678802 /nfs/dbraw/zinc/67/88/02/1195678802.db2.gz CGTCAGHFMOLFSC-UHFFFAOYSA-N 0 3 392.435 0.864 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C[C@@H]1N(C)C ZINC000328991090 1195684660 /nfs/dbraw/zinc/68/46/60/1195684660.db2.gz DDKIOPVBBQMMKX-GVDBMIGSSA-N 0 3 377.510 0.918 20 0 GCADHN COc1nccc(CNC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)n1 ZINC000458909479 1195686177 /nfs/dbraw/zinc/68/61/77/1195686177.db2.gz BWNXUKXXOQKLGB-UHFFFAOYSA-N 0 3 385.472 0.974 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 ZINC000330798314 1195708084 /nfs/dbraw/zinc/70/80/84/1195708084.db2.gz HVOFNRUHNCHFAK-MRXNPFEDSA-N 0 3 381.498 0.874 20 0 GCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000729493886 1195712138 /nfs/dbraw/zinc/71/21/38/1195712138.db2.gz BRGVUOKHMBEJKZ-SJORKVTESA-N 0 3 396.513 0.398 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000665013929 1195715957 /nfs/dbraw/zinc/71/59/57/1195715957.db2.gz ACQJOEQAACIODB-KRWDZBQOSA-N 0 3 397.545 0.688 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)C1CCN(S(C)(=O)=O)CC1 ZINC000330978066 1195716398 /nfs/dbraw/zinc/71/63/98/1195716398.db2.gz UKPMOOVYALIGNN-HNNXBMFYSA-N 0 3 389.518 0.286 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCNC(C)(C)C2)c1 ZINC000331067175 1195718574 /nfs/dbraw/zinc/71/85/74/1195718574.db2.gz YVERTPDQDNIOGA-UHFFFAOYSA-N 0 3 384.502 0.089 20 0 GCADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000441439303 1195729079 /nfs/dbraw/zinc/72/90/79/1195729079.db2.gz VJFGJVNZPJGOHC-CQSZACIVSA-N 0 3 383.460 0.417 20 0 GCADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000441439299 1195729160 /nfs/dbraw/zinc/72/91/60/1195729160.db2.gz VJFGJVNZPJGOHC-AWEZNQCLSA-N 0 3 383.460 0.417 20 0 GCADHN C[C@@H](COCC(F)(F)F)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000334077092 1195733953 /nfs/dbraw/zinc/73/39/53/1195733953.db2.gz WSNOXSOOXUITHZ-QWHCGFSZSA-N 0 3 380.411 0.902 20 0 GCADHN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729494725 1195737387 /nfs/dbraw/zinc/73/73/87/1195737387.db2.gz AQRYPNWFRLEAKR-LSDHHAIUSA-N 0 3 393.488 0.404 20 0 GCADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000520459010 1195737682 /nfs/dbraw/zinc/73/76/82/1195737682.db2.gz LGYOXAQZBGQKMZ-CQSZACIVSA-N 0 3 395.504 0.177 20 0 GCADHN CS(=O)(=O)Nc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000729495379 1195738858 /nfs/dbraw/zinc/73/88/58/1195738858.db2.gz ZIIKKHVNLOTJKH-JKSUJKDBSA-N 0 3 382.486 0.721 20 0 GCADHN CS(=O)(=O)Nc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000729495378 1195739095 /nfs/dbraw/zinc/73/90/95/1195739095.db2.gz ZIIKKHVNLOTJKH-HZPDHXFCSA-N 0 3 382.486 0.721 20 0 GCADHN CS(=O)(=O)Nc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000729495376 1195739155 /nfs/dbraw/zinc/73/91/55/1195739155.db2.gz ZIIKKHVNLOTJKH-CVEARBPZSA-N 0 3 382.486 0.721 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 ZINC000189123650 1195743090 /nfs/dbraw/zinc/74/30/90/1195743090.db2.gz UJHYYIVYUYQEDR-UHFFFAOYSA-N 0 3 396.435 0.939 20 0 GCADHN Cc1nn(C)c2ncc(S(=O)(=O)NC[C@@H](O)CN3CCC(C)CC3)cc12 ZINC000161679819 1195746666 /nfs/dbraw/zinc/74/66/66/1195746666.db2.gz MAZNXWLLRFJZHT-CQSZACIVSA-N 0 3 381.502 0.648 20 0 GCADHN CCSc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000579376775 1195748301 /nfs/dbraw/zinc/74/83/01/1195748301.db2.gz BWDTVRARHGRLIR-DUVNUKRYSA-N 0 3 390.509 0.746 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)CCN2C1=O ZINC000579377613 1195748921 /nfs/dbraw/zinc/74/89/21/1195748921.db2.gz UAVNDRXDUAIMAC-ARFHVFGLSA-N 0 3 387.440 0.580 20 0 GCADHN O=C(NCCN1CCN(c2ccccc2)CC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729496633 1195749382 /nfs/dbraw/zinc/74/93/82/1195749382.db2.gz JZEVJMRPUAPATJ-UXHICEINSA-N 0 3 387.528 0.971 20 0 GCADHN CO[C@@H]1COCC[C@@H]1CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000459000972 1195749697 /nfs/dbraw/zinc/74/96/97/1195749697.db2.gz KZDJYTSPHJYJBI-QWFCFKBJSA-N 0 3 377.485 0.974 20 0 GCADHN CN(C(=O)CN1CCS(=O)(=O)CC1)C1CCN(CCc2ccccn2)CC1 ZINC000129380568 1195751479 /nfs/dbraw/zinc/75/14/79/1195751479.db2.gz HVCOJSYWXGUXEM-UHFFFAOYSA-N 0 3 394.541 0.277 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000729496462 1195751613 /nfs/dbraw/zinc/75/16/13/1195751613.db2.gz SDFMWSKTZFSOQX-DLBZAZTESA-N 0 3 376.457 0.934 20 0 GCADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000550411667 1195751994 /nfs/dbraw/zinc/75/19/94/1195751994.db2.gz BFZOTPIOUPZXNP-KBAYOESNSA-N 0 3 377.485 0.586 20 0 GCADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc2n(n1)CCCO2)N(C)C ZINC001719866416 1195752673 /nfs/dbraw/zinc/75/26/73/1195752673.db2.gz OVCGEKRSFXUVTB-VRKREXBASA-N 0 3 375.473 0.868 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)Cc1ccccc1 ZINC000550415288 1195757125 /nfs/dbraw/zinc/75/71/25/1195757125.db2.gz JXXBLCFHHUVPBD-LVCYWYKZSA-N 0 3 389.496 0.730 20 0 GCADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2cnc[n-]c2=O)CC[N@@H+]1C ZINC000983881159 1195761637 /nfs/dbraw/zinc/76/16/37/1195761637.db2.gz GZMROZJZKUTOKJ-APIJFGDWSA-N 0 3 375.473 0.879 20 0 GCADHN C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2cnc[n-]c2=O)CC[N@H+]1C ZINC000983881159 1195761640 /nfs/dbraw/zinc/76/16/40/1195761640.db2.gz GZMROZJZKUTOKJ-APIJFGDWSA-N 0 3 375.473 0.879 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 ZINC000550417398 1195766041 /nfs/dbraw/zinc/76/60/41/1195766041.db2.gz KKQCLKYPFFKZJE-UHFFFAOYSA-N 0 3 397.497 0.646 20 0 GCADHN CCc1c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[nH]c(C)c1C(N)=O ZINC000133261442 1195769215 /nfs/dbraw/zinc/76/92/15/1195769215.db2.gz AHHUAWGSGNCPBM-CQSZACIVSA-N 0 3 375.473 0.363 20 0 GCADHN O=C(NCCNS(=O)(=O)Cc1ccccc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729501776 1195770071 /nfs/dbraw/zinc/77/00/71/1195770071.db2.gz OSSUAGUXEPGHCX-IAGOWNOFSA-N 0 3 396.513 0.268 20 0 GCADHN O=C(NCC(F)(F)F)C1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729503458 1195772474 /nfs/dbraw/zinc/77/24/74/1195772474.db2.gz XNKRNDXYJWXFHH-KGLIPLIRSA-N 0 3 392.422 0.950 20 0 GCADHN COc1cc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1OCCO ZINC000729504679 1195774127 /nfs/dbraw/zinc/77/41/27/1195774127.db2.gz JYFADAKNPKUYCT-JKSUJKDBSA-N 0 3 379.457 0.729 20 0 GCADHN CN1CCC(N(Cc2ccccc2)C(=O)NCCOCCS(N)(=O)=O)CC1 ZINC000665101197 1195775384 /nfs/dbraw/zinc/77/53/84/1195775384.db2.gz HZHVZFNZPXSGPQ-UHFFFAOYSA-N 0 3 398.529 0.598 20 0 GCADHN COCCOC1CN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000441517741 1195776103 /nfs/dbraw/zinc/77/61/03/1195776103.db2.gz WRJZHXJGNFACOG-UHFFFAOYSA-N 0 3 392.456 0.367 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(C(=O)NC(C)C)cc1C ZINC000469622491 1195780382 /nfs/dbraw/zinc/78/03/82/1195780382.db2.gz TWIGQJPNGRHZMF-UHFFFAOYSA-N 0 3 378.473 0.502 20 0 GCADHN O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@H]1NCCc2ccccc21 ZINC000417564728 1195782672 /nfs/dbraw/zinc/78/26/72/1195782672.db2.gz PAHIQRSWINGCGJ-QGZVFWFLSA-N 0 3 380.514 0.892 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCCc2ccc(-n3cccn3)cc2)n1 ZINC000520553662 1195785459 /nfs/dbraw/zinc/78/54/59/1195785459.db2.gz KRNHMUMYMOKOCS-UHFFFAOYSA-N 0 3 382.472 0.202 20 0 GCADHN CS(=O)(=O)CC1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000895080678 1195786753 /nfs/dbraw/zinc/78/67/53/1195786753.db2.gz ONXGUAXAAQLVSI-SJJHQCBESA-N 0 3 387.546 0.830 20 0 GCADHN COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000441602160 1195793404 /nfs/dbraw/zinc/79/34/04/1195793404.db2.gz VLDQYHZUKJVZKB-UHFFFAOYSA-N 0 3 396.513 0.844 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000614605555 1195795207 /nfs/dbraw/zinc/79/52/07/1195795207.db2.gz QFSNFXUPGRQLFZ-UHFFFAOYSA-N 0 3 382.530 0.281 20 0 GCADHN CNC(=O)NC(=O)CNC[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CCCCC1 ZINC001482409439 1195798712 /nfs/dbraw/zinc/79/87/12/1195798712.db2.gz YUKRAKJDNCDDAB-IDUQQSTBSA-N 0 3 392.500 0.520 20 0 GCADHN O=C(NCC1N=NC(=O)N1C1CC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001687395958 1195801132 /nfs/dbraw/zinc/80/11/32/1195801132.db2.gz NDLDORFIIIZXQN-IBGZPJMESA-N 0 3 386.456 0.755 20 0 GCADHN Cc1cc(CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)nc(N2CCCC2)n1 ZINC000645416358 1195819046 /nfs/dbraw/zinc/81/90/46/1195819046.db2.gz SDVRBODSIPRXTI-HNNXBMFYSA-N 0 3 389.504 0.647 20 0 GCADHN CN1CCN(CCCNC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](c2ccccc2)C1 ZINC000046388325 1195820359 /nfs/dbraw/zinc/82/03/59/1195820359.db2.gz ZIKUFNIPHVQZGD-KRWDZBQOSA-N 0 3 385.468 0.032 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1cccc(N(C)C)c1 ZINC000550445638 1195875222 /nfs/dbraw/zinc/87/52/22/1195875222.db2.gz FBRITFDFCCBUJJ-SFHVURJKSA-N 0 3 376.501 0.938 20 0 GCADHN C[C@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000427850534 1195884966 /nfs/dbraw/zinc/88/49/66/1195884966.db2.gz JJWDWNMONUVVMC-STQMWFEESA-N 0 3 390.440 0.324 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000508033434 1195887266 /nfs/dbraw/zinc/88/72/66/1195887266.db2.gz SVYSAYFURMYJPE-KRWDZBQOSA-N 0 3 388.512 0.942 20 0 GCADHN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000427864024 1195888908 /nfs/dbraw/zinc/88/89/08/1195888908.db2.gz KWFMBAQPUYTJGX-ZIAGYGMSSA-N 0 3 376.457 0.722 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000508046628 1195893626 /nfs/dbraw/zinc/89/36/26/1195893626.db2.gz SRCKTFVGYQHNDQ-GOSISDBHSA-N 0 3 386.496 0.792 20 0 GCADHN COCCO[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC000508194949 1195906924 /nfs/dbraw/zinc/90/69/24/1195906924.db2.gz ZKGZRZAZXSCTJV-OAHLLOKOSA-N 0 3 380.493 0.284 20 0 GCADHN CN1CCN(CCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)CC1(C)C ZINC000508296808 1195916506 /nfs/dbraw/zinc/91/65/06/1195916506.db2.gz CNPPBTBPHXUBMK-HLLBOEOZSA-N 0 3 397.589 0.854 20 0 GCADHN C[C@@]1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCN(CCn2cncn2)C1 ZINC001270975114 1195920759 /nfs/dbraw/zinc/92/07/59/1195920759.db2.gz VJILCIJVJHPBBE-BMFAXAFESA-N 0 3 377.489 0.548 20 0 GCADHN CC(C)[C@@H](CO)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000428224435 1195922270 /nfs/dbraw/zinc/92/22/70/1195922270.db2.gz CUWJLFQZYDFGKM-QGZVFWFLSA-N 0 3 390.484 0.456 20 0 GCADHN Cn1cnc2cc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)ccc21 ZINC000441854480 1195924350 /nfs/dbraw/zinc/92/43/50/1195924350.db2.gz KEBWBHGUFPUWEA-UHFFFAOYSA-N 0 3 398.467 0.278 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c(OC)c(OC)c1 ZINC000441902126 1195930903 /nfs/dbraw/zinc/93/09/03/1195930903.db2.gz XSNHGFBHWAAESH-UHFFFAOYSA-N 0 3 393.440 0.982 20 0 GCADHN CN(C)c1ncncc1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000441930174 1195932771 /nfs/dbraw/zinc/93/27/71/1195932771.db2.gz ZEOGVEVRDMHYQJ-UHFFFAOYSA-N 0 3 399.455 0.988 20 0 GCADHN CN(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000487414443 1195937419 /nfs/dbraw/zinc/93/74/19/1195937419.db2.gz WRHPERMAZSTBDF-CHWSQXEVSA-N 0 3 390.469 0.700 20 0 GCADHN CN1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)c2)CC1 ZINC000441989490 1195940020 /nfs/dbraw/zinc/94/00/20/1195940020.db2.gz WFYSWIZQVMAYQL-GOSISDBHSA-N 0 3 385.512 0.725 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000521053502 1195958340 /nfs/dbraw/zinc/95/83/40/1195958340.db2.gz LVCULLXNIDIKNC-GOEBONIOSA-N 0 3 388.468 0.517 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000521101853 1195962389 /nfs/dbraw/zinc/96/23/89/1195962389.db2.gz XDBXXFDPVXMSLY-DLBZAZTESA-N 0 3 382.549 0.792 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000521141747 1195966099 /nfs/dbraw/zinc/96/60/99/1195966099.db2.gz BWSAHTOHEJNTAR-KRWDZBQOSA-N 0 3 396.557 0.758 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)c2)CC1 ZINC000442250760 1195966134 /nfs/dbraw/zinc/96/61/34/1195966134.db2.gz CLKOKLVHUKMQLW-ROUUACIJSA-N 0 3 390.484 0.110 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3C[C@@H](F)C[C@@H]3CO)cn2)CC1 ZINC000442260347 1195967255 /nfs/dbraw/zinc/96/72/55/1195967255.db2.gz CPGWISSCWIBTPB-GXTWGEPZSA-N 0 3 380.420 0.424 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000442286447 1195971926 /nfs/dbraw/zinc/97/19/26/1195971926.db2.gz BPKVBYHSVDKPOE-UHFFFAOYSA-N 0 3 376.457 0.602 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1)C1CC1 ZINC000442293579 1195973509 /nfs/dbraw/zinc/97/35/09/1195973509.db2.gz PQOJGEMSUVKAGP-UHFFFAOYSA-N 0 3 388.468 0.744 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 ZINC000521204960 1195976280 /nfs/dbraw/zinc/97/62/80/1195976280.db2.gz TYQAGIQWQLLJOX-UHFFFAOYSA-N 0 3 384.484 0.826 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)C1=CCN(C)CC1 ZINC000442333637 1195976792 /nfs/dbraw/zinc/97/67/92/1195976792.db2.gz KZPAUWSOQPULAZ-AWEZNQCLSA-N 0 3 385.468 0.917 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F)C1=CCN(C)CC1 ZINC000442329228 1195976861 /nfs/dbraw/zinc/97/68/61/1195976861.db2.gz DUEOEENCFXGJGH-LLVKDONJSA-N 0 3 383.445 0.934 20 0 GCADHN CCn1nc(C)c(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1C ZINC000521209301 1195976887 /nfs/dbraw/zinc/97/68/87/1195976887.db2.gz ASZFOIWLKBDCKC-UHFFFAOYSA-N 0 3 376.505 0.969 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)CC1 ZINC000521223343 1195978122 /nfs/dbraw/zinc/97/81/22/1195978122.db2.gz OZAGCQUXNXDQIZ-UHFFFAOYSA-N 0 3 399.495 0.753 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O)C1=CCN(C)CC1 ZINC000442344803 1195979779 /nfs/dbraw/zinc/97/97/79/1195979779.db2.gz QOQZLOJPWCCFLZ-ZDUSSCGKSA-N 0 3 394.497 0.788 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O)C1=CCN(C)CC1 ZINC000442344801 1195979869 /nfs/dbraw/zinc/97/98/69/1195979869.db2.gz QOQZLOJPWCCFLZ-CYBMUJFWSA-N 0 3 394.497 0.788 20 0 GCADHN CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001745909992 1195985312 /nfs/dbraw/zinc/98/53/12/1195985312.db2.gz QQQWUCZGTGEXMR-HUUCEWRRSA-N 0 3 391.520 0.628 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1)N(C)C ZINC000442447603 1195987163 /nfs/dbraw/zinc/98/71/63/1195987163.db2.gz XPDIKFPQCDUGGW-CYBMUJFWSA-N 0 3 376.457 0.600 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000521318931 1195987844 /nfs/dbraw/zinc/98/78/44/1195987844.db2.gz VLYYSVMEFHLMPW-MSOLQXFVSA-N 0 3 394.560 0.794 20 0 GCADHN CC(C)CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001271043773 1195992800 /nfs/dbraw/zinc/99/28/00/1195992800.db2.gz MYDCCEITRWRQLJ-QBYUYEEZSA-N 0 3 382.505 0.720 20 0 GCADHN COc1ccc([C@@H](CO)N(C)C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000521392232 1195993840 /nfs/dbraw/zinc/99/38/40/1195993840.db2.gz MWKDMKBOBUHDRL-FUHWJXTLSA-N 0 3 375.469 0.884 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000442591545 1195994929 /nfs/dbraw/zinc/99/49/29/1195994929.db2.gz AVDYIFRFLATZQC-LBPRGKRZSA-N 0 3 390.456 0.836 20 0 GCADHN C[C@H](CCO)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000442602230 1195996459 /nfs/dbraw/zinc/99/64/59/1195996459.db2.gz GIWRTUSNLHJDEA-GFCCVEGCSA-N 0 3 378.429 0.229 20 0 GCADHN COCCN(C)CCNC(=O)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000521479990 1195997944 /nfs/dbraw/zinc/99/79/44/1195997944.db2.gz PXZQFTFBSYNPDE-SFHVURJKSA-N 0 3 390.528 0.804 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000521474448 1195998396 /nfs/dbraw/zinc/99/83/96/1195998396.db2.gz ZYGKDMOLPXZQKV-IKGGRYGDSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCc3ccn(C)n3)CC2)C[C@H](C)O1 ZINC000521506382 1195999422 /nfs/dbraw/zinc/99/94/22/1195999422.db2.gz UGRGZRICTSGYGR-IYBDPMFKSA-N 0 3 391.516 0.427 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000521512600 1195999688 /nfs/dbraw/zinc/99/96/88/1195999688.db2.gz WRANMVXXLSFICK-MRXNPFEDSA-N 0 3 398.504 0.646 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NCCN2C(=O)CNC2=O)C1=O ZINC000442762396 1196001325 /nfs/dbraw/zinc/00/13/25/1196001325.db2.gz DYHKFDSXIMLRKO-GXTWGEPZSA-N 0 3 382.461 0.095 20 0 GCADHN CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](NCCC(=O)N2CCOCC2)C1=O ZINC000442779603 1196002872 /nfs/dbraw/zinc/00/28/72/1196002872.db2.gz DFNWMCRIWYEHDX-WBVHZDCISA-N 0 3 397.516 0.792 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NCCC(=O)N2CCOCC2)C1=O ZINC000442779382 1196002932 /nfs/dbraw/zinc/00/29/32/1196002932.db2.gz DFNWMCRIWYEHDX-DOTOQJQBSA-N 0 3 397.516 0.792 20 0 GCADHN CNS(=O)(=O)CCCN[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000442798099 1196004589 /nfs/dbraw/zinc/00/45/89/1196004589.db2.gz XXWJEZIOAZDSHH-ZIAGYGMSSA-N 0 3 391.534 0.483 20 0 GCADHN CN1CCN(CCCCNC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000521596278 1196006047 /nfs/dbraw/zinc/00/60/47/1196006047.db2.gz JSUNRCJKDCHJPX-GOSISDBHSA-N 0 3 394.564 0.993 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)[C@@H](O)Cc2cccc(OC)c2)CC1 ZINC000442870192 1196008285 /nfs/dbraw/zinc/00/82/85/1196008285.db2.gz UOVLFCQWMVISMF-SFHVURJKSA-N 0 3 378.469 0.990 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)nc1 ZINC000521675291 1196011168 /nfs/dbraw/zinc/01/11/68/1196011168.db2.gz BYOIJKZKPYPTCG-GOSISDBHSA-N 0 3 396.495 0.819 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](O)Cc2cccc(OC)c2)CC1 ZINC000442948390 1196012754 /nfs/dbraw/zinc/01/27/54/1196012754.db2.gz ACRFIMDWPARSTC-SFHVURJKSA-N 0 3 377.485 0.611 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)CC1(C)C ZINC000443116520 1196020905 /nfs/dbraw/zinc/02/09/05/1196020905.db2.gz IIJJSHSUKXSCKL-UHFFFAOYSA-N 0 3 384.484 0.953 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)CC1(C)C ZINC000443122440 1196021259 /nfs/dbraw/zinc/02/12/59/1196021259.db2.gz GJTXGRCZMFOSEK-UHFFFAOYSA-N 0 3 399.499 0.407 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000443120703 1196021613 /nfs/dbraw/zinc/02/16/13/1196021613.db2.gz VABQIUSQROBRSU-UHFFFAOYSA-N 0 3 392.500 0.793 20 0 GCADHN CCN(C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1)[C@H]1CCNC1=O ZINC000443256928 1196031980 /nfs/dbraw/zinc/03/19/80/1196031980.db2.gz ZILJHEJQEXRZKA-HNNXBMFYSA-N 0 3 389.456 0.230 20 0 GCADHN CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000522013442 1196034408 /nfs/dbraw/zinc/03/44/08/1196034408.db2.gz DELSGCLZFHMAHF-MELADBBJSA-N 0 3 376.461 0.199 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000443297952 1196035347 /nfs/dbraw/zinc/03/53/47/1196035347.db2.gz GNZLDOOUBRFDNL-OAHLLOKOSA-N 0 3 380.474 0.033 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000522025770 1196035943 /nfs/dbraw/zinc/03/59/43/1196035943.db2.gz WZWGQZDAAKJJDW-OAHLLOKOSA-N 0 3 392.504 0.078 20 0 GCADHN COC(=O)c1ccccc1CS(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000443290703 1196036038 /nfs/dbraw/zinc/03/60/38/1196036038.db2.gz PUMKMADXXNRXLP-MRXNPFEDSA-N 0 3 384.498 0.985 20 0 GCADHN COC(=O)c1cccc(CS(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000443291688 1196036148 /nfs/dbraw/zinc/03/61/48/1196036148.db2.gz GNNBXNCCTSAXRB-KRWDZBQOSA-N 0 3 384.498 0.985 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 ZINC000443290709 1196036347 /nfs/dbraw/zinc/03/63/47/1196036347.db2.gz PVIBQPWTLBMPMM-QGZVFWFLSA-N 0 3 395.525 0.950 20 0 GCADHN COc1ccccc1-n1cc(S(=O)(=O)NCC2CCN(CCO)CC2)cn1 ZINC000443298087 1196037312 /nfs/dbraw/zinc/03/73/12/1196037312.db2.gz HFZPAJCSVJPUGY-UHFFFAOYSA-N 0 3 394.497 0.864 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000443328618 1196039813 /nfs/dbraw/zinc/03/98/13/1196039813.db2.gz QJYUOWZMXKQMCI-UHFFFAOYSA-N 0 3 393.818 0.956 20 0 GCADHN CS[C@H]1CN(C(=O)c2nnn(Cc3noc(C)n3)c2C)C[C@H]1N1CCCC1 ZINC000522056230 1196040875 /nfs/dbraw/zinc/04/08/75/1196040875.db2.gz NVKZOSANCJCASI-KGLIPLIRSA-N 0 3 391.501 0.978 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000474043069 1196041031 /nfs/dbraw/zinc/04/10/31/1196041031.db2.gz YXMBZKLHOMLUAC-HNNXBMFYSA-N 0 3 377.489 0.376 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000522102810 1196044269 /nfs/dbraw/zinc/04/42/69/1196044269.db2.gz FIABAYJEAUXKRJ-IRXDYDNUSA-N 0 3 393.532 0.726 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)N(C)Cc1ccccc1 ZINC000443436794 1196047896 /nfs/dbraw/zinc/04/78/96/1196047896.db2.gz KPQHRSBJFSMMEZ-INIZCTEOSA-N 0 3 397.545 0.123 20 0 GCADHN CCOC(=O)C(NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(=O)OCC ZINC000522177526 1196051850 /nfs/dbraw/zinc/05/18/50/1196051850.db2.gz FTPPSGRTVWUYNY-HNNXBMFYSA-N 0 3 377.441 0.905 20 0 GCADHN CC[C@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)C(=O)N1CCOCC1 ZINC000474059903 1196054295 /nfs/dbraw/zinc/05/42/95/1196054295.db2.gz QRIXMNBBWCNBRR-INIZCTEOSA-N 0 3 383.537 0.339 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000550488854 1196054815 /nfs/dbraw/zinc/05/48/15/1196054815.db2.gz QKIGPBGCJKRXKZ-KRWDZBQOSA-N 0 3 388.468 0.584 20 0 GCADHN Cn1nccc1[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CCO1 ZINC000895214970 1196055061 /nfs/dbraw/zinc/05/50/61/1196055061.db2.gz JKPPYWKCWWIVKP-CBZIJGRNSA-N 0 3 377.489 0.881 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000522187957 1196057241 /nfs/dbraw/zinc/05/72/41/1196057241.db2.gz OXJVQBPHQCPWKD-OAHLLOKOSA-N 0 3 387.484 0.600 20 0 GCADHN O=C(CN[C@@H](C1CC1)[C@]1(CO)CCCO1)NCCCN1CCCCCC1=O ZINC000550502827 1196060876 /nfs/dbraw/zinc/06/08/76/1196060876.db2.gz SYDLHDAGTRDSTF-VQTJNVASSA-N 0 3 381.517 0.805 20 0 GCADHN COCCn1cc(S(=O)(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000443495381 1196061853 /nfs/dbraw/zinc/06/18/53/1196061853.db2.gz XMPRUVQMQYXQKS-IAGOWNOFSA-N 0 3 386.518 0.576 20 0 GCADHN COCCn1cc(S(=O)(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000443495378 1196061942 /nfs/dbraw/zinc/06/19/42/1196061942.db2.gz XMPRUVQMQYXQKS-DLBZAZTESA-N 0 3 386.518 0.576 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCN1CCn1nc(C)nc1C ZINC001087727762 1196067871 /nfs/dbraw/zinc/06/78/71/1196067871.db2.gz MAKCNEWPIMMNQI-VVLHAWIVSA-N 0 3 376.505 0.588 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CCN1CCN1C(=O)CCC1=O ZINC001087730232 1196068940 /nfs/dbraw/zinc/06/89/40/1196068940.db2.gz VEXZCFDPMPNTJZ-LVQVYYBASA-N 0 3 387.484 0.642 20 0 GCADHN O=C(NCc1nnnn1CC1CC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000474090513 1196069377 /nfs/dbraw/zinc/06/93/77/1196069377.db2.gz SVCXEBCCRXWBQY-IBGZPJMESA-N 0 3 385.472 0.519 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCC2CCC2)C1 ZINC001112167592 1196076741 /nfs/dbraw/zinc/07/67/41/1196076741.db2.gz TWDMWFZFAFLUBL-XJFOESAGSA-N 0 3 377.407 0.903 20 0 GCADHN COc1ncccc1CNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000550529868 1196077726 /nfs/dbraw/zinc/07/77/26/1196077726.db2.gz XHOMWIOEMRRZRR-KRWDZBQOSA-N 0 3 389.500 0.333 20 0 GCADHN O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000895297334 1196079179 /nfs/dbraw/zinc/07/91/79/1196079179.db2.gz CDWPQQJZAXHAGA-ROUUACIJSA-N 0 3 396.532 0.108 20 0 GCADHN CCOc1ncccc1CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000550536592 1196080623 /nfs/dbraw/zinc/08/06/23/1196080623.db2.gz DPAGYZLSFDRRQW-UHFFFAOYSA-N 0 3 377.489 0.239 20 0 GCADHN CC(C)(CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)[C@@H]1COCC12OCCO2 ZINC000895308495 1196080767 /nfs/dbraw/zinc/08/07/67/1196080767.db2.gz KHDXYZITXXYLGZ-IKGGRYGDSA-N 0 3 397.516 0.643 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000248183217 1196084720 /nfs/dbraw/zinc/08/47/20/1196084720.db2.gz WUQUQBFFQWQAAQ-ROUUACIJSA-N 0 3 386.496 0.865 20 0 GCADHN Cc1c(NC(=O)C(=O)N(C)CCN(C)C)nnn1CCOc1ccc(F)cc1 ZINC000550578196 1196091940 /nfs/dbraw/zinc/09/19/40/1196091940.db2.gz YVASMYHBSOZLQB-UHFFFAOYSA-N 0 3 392.435 0.763 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000550582044 1196093563 /nfs/dbraw/zinc/09/35/63/1196093563.db2.gz LMUOKQVKNAAEIR-LVQVYYBASA-N 0 3 380.533 0.732 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000519039614 1196095638 /nfs/dbraw/zinc/09/56/38/1196095638.db2.gz MTABMHLOAWQEBR-INIZCTEOSA-N 0 3 383.514 0.843 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000052270355 1196096025 /nfs/dbraw/zinc/09/60/25/1196096025.db2.gz WJVSDPDURIFJBY-KRWDZBQOSA-N 0 3 382.530 0.836 20 0 GCADHN COC(=O)c1cnc(CN2CCc3ccc(=O)n(CCN(C)C)c3CC2)cn1 ZINC001141821713 1196105136 /nfs/dbraw/zinc/10/51/36/1196105136.db2.gz GTRJVYBSEKNSSN-UHFFFAOYSA-N 0 3 385.468 0.587 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1ccc(-n2cccn2)nc1 ZINC000114602892 1196106352 /nfs/dbraw/zinc/10/63/52/1196106352.db2.gz QXYILUHGSSNOOE-UHFFFAOYSA-N 0 3 387.488 0.779 20 0 GCADHN CC(C)N1C(=S)N=NC1CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000895674272 1196106747 /nfs/dbraw/zinc/10/67/47/1196106747.db2.gz DZLQVRUVRPVOKD-KBPBESRZSA-N 0 3 382.534 0.931 20 0 GCADHN C[C@H](N[C@@H]1C(=O)NCC12CCOCC2)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000895767132 1196111485 /nfs/dbraw/zinc/11/14/85/1196111485.db2.gz WAGROUWTRGMLNG-SOUVJXGZSA-N 0 3 383.489 0.896 20 0 GCADHN C[C@H](N[C@H]1C(=O)NCC12CCOCC2)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000895767133 1196111633 /nfs/dbraw/zinc/11/16/33/1196111633.db2.gz WAGROUWTRGMLNG-ZNMIVQPWSA-N 0 3 383.489 0.896 20 0 GCADHN CC[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@@]2(CCOC2)O1 ZINC000474383653 1196113549 /nfs/dbraw/zinc/11/35/49/1196113549.db2.gz KSVMJABNETXNNE-AZUAARDMSA-N 0 3 398.548 0.356 20 0 GCADHN O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000895841787 1196113901 /nfs/dbraw/zinc/11/39/01/1196113901.db2.gz IBYFKRAXTVCUHC-NCXUSEDFSA-N 0 3 392.544 0.870 20 0 GCADHN CN(C)c1nc(C(F)(F)F)ccc1CNC[C@@]12COCCN1C(=O)COC2 ZINC000895837821 1196114187 /nfs/dbraw/zinc/11/41/87/1196114187.db2.gz OWKLVZGJTJZLNE-INIZCTEOSA-N 0 3 388.390 0.884 20 0 GCADHN COC(=O)c1cc(C2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C2)[nH]n1 ZINC000895851848 1196115031 /nfs/dbraw/zinc/11/50/31/1196115031.db2.gz XHPJSTVFRLEQJZ-CQSZACIVSA-N 0 3 377.445 0.558 20 0 GCADHN CC(C)(C)N1CCC[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000896010436 1196121935 /nfs/dbraw/zinc/12/19/35/1196121935.db2.gz PYTBYDCBSPPGLV-HZPDHXFCSA-N 0 3 378.517 0.964 20 0 GCADHN CC(=O)N(C)C1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000522442485 1196122041 /nfs/dbraw/zinc/12/20/41/1196122041.db2.gz QQAIJIHMAPDCEW-KRWDZBQOSA-N 0 3 381.521 0.581 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000143961627 1196131185 /nfs/dbraw/zinc/13/11/85/1196131185.db2.gz FREUPFAYRNQJOO-AWEZNQCLSA-N 0 3 375.473 0.200 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000143961627 1196131188 /nfs/dbraw/zinc/13/11/88/1196131188.db2.gz FREUPFAYRNQJOO-AWEZNQCLSA-N 0 3 375.473 0.200 20 0 GCADHN O=C(NCc1ccc(N2CCNC2=O)cc1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000896444150 1196149096 /nfs/dbraw/zinc/14/90/96/1196149096.db2.gz DSVIFWNMXCTWOO-ZWKOTPCHSA-N 0 3 387.484 0.957 20 0 GCADHN O=C(NCc1ccc(N2CCNC2=O)cc1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000896444149 1196149130 /nfs/dbraw/zinc/14/91/30/1196149130.db2.gz DSVIFWNMXCTWOO-ROUUACIJSA-N 0 3 387.484 0.957 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C1(CC(=O)N2CCOCC2)CCCC1 ZINC000474797840 1196150290 /nfs/dbraw/zinc/15/02/90/1196150290.db2.gz VHWIZENEFDTIFN-SFHVURJKSA-N 0 3 394.560 0.938 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000474813876 1196152556 /nfs/dbraw/zinc/15/25/56/1196152556.db2.gz XJRNHRKDZUDWMT-UHFFFAOYSA-N 0 3 386.562 0.111 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1 ZINC000329005572 1196155571 /nfs/dbraw/zinc/15/55/71/1196155571.db2.gz XJZSREZCXXBYJV-UHFFFAOYSA-N 0 3 386.452 0.179 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cc1C ZINC000329049331 1196159554 /nfs/dbraw/zinc/15/95/54/1196159554.db2.gz WAELMRALRFBTCL-ZWKOTPCHSA-N 0 3 395.525 0.903 20 0 GCADHN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@H]4CCCN4C)CC3)C2=O)n(C)n1 ZINC000329340442 1196186856 /nfs/dbraw/zinc/18/68/56/1196186856.db2.gz OHFRJCUSXMSUJU-IAGOWNOFSA-N 0 3 388.516 0.462 20 0 GCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CN(C3CCOCC3)C1)CC2 ZINC000896671053 1196194029 /nfs/dbraw/zinc/19/40/29/1196194029.db2.gz UNRMNLGIXZQTBZ-UHFFFAOYSA-N 0 3 379.482 0.595 20 0 GCADHN CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000896689008 1196196503 /nfs/dbraw/zinc/19/65/03/1196196503.db2.gz VDQWWQXSBRJFAI-QGZVFWFLSA-N 0 3 389.500 0.497 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CO1 ZINC000896710976 1196200692 /nfs/dbraw/zinc/20/06/92/1196200692.db2.gz BOLREQCEHYUQHQ-KKUMJFAQSA-N 0 3 384.477 0.778 20 0 GCADHN COC(=O)c1cc(C2CN(C(=O)NC[C@H]3CCN3C3CCOCC3)C2)[nH]n1 ZINC000896749364 1196203369 /nfs/dbraw/zinc/20/33/69/1196203369.db2.gz PYWRDKRCGAHEAI-CQSZACIVSA-N 0 3 377.445 0.558 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@H]2CCCn3ncnc32)CC1 ZINC000329565728 1196205834 /nfs/dbraw/zinc/20/58/34/1196205834.db2.gz SPRUOZFCTVUHHD-AWEZNQCLSA-N 0 3 379.490 0.896 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)CN3CCN(C)C(=O)C3)CC2)C[C@H](C)O1 ZINC000329601413 1196208695 /nfs/dbraw/zinc/20/86/95/1196208695.db2.gz KOVLWGSGXHVMBI-CALCHBBNSA-N 0 3 380.533 0.498 20 0 GCADHN COCC[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000522490741 1196209531 /nfs/dbraw/zinc/20/95/31/1196209531.db2.gz XUASBMMITINJOJ-AWEZNQCLSA-N 0 3 390.484 0.864 20 0 GCADHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N(C)C ZINC000443833822 1196220549 /nfs/dbraw/zinc/22/05/49/1196220549.db2.gz CRGBAVOLPOMFPE-SUMWQHHRSA-N 0 3 386.456 0.423 20 0 GCADHN CN1CCN(CCCCNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000522565518 1196222251 /nfs/dbraw/zinc/22/22/51/1196222251.db2.gz HXMUHVOVCSTRQZ-UHFFFAOYSA-N 0 3 380.514 0.278 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000329709817 1196225006 /nfs/dbraw/zinc/22/50/06/1196225006.db2.gz NIKDXIGEZMMYNE-INIZCTEOSA-N 0 3 387.546 0.400 20 0 GCADHN C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)n1nnnc1C(C)(C)C ZINC000329852134 1196234481 /nfs/dbraw/zinc/23/44/81/1196234481.db2.gz RGVRSEWCOACMKX-KGLIPLIRSA-N 0 3 377.493 0.297 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)Cn2ccc3ccccc3c2=O)CC1 ZINC000329868584 1196235445 /nfs/dbraw/zinc/23/54/45/1196235445.db2.gz XPPSRVLQWAYZQD-UHFFFAOYSA-N 0 3 382.464 0.768 20 0 GCADHN Cn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000329896341 1196237311 /nfs/dbraw/zinc/23/73/11/1196237311.db2.gz KVLCBCSYRCUYKY-FUHWJXTLSA-N 0 3 375.473 0.264 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000329954307 1196242310 /nfs/dbraw/zinc/24/23/10/1196242310.db2.gz NUFIGUHSKABELU-DJJJIMSYSA-N 0 3 378.473 0.623 20 0 GCADHN O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001088045601 1196242419 /nfs/dbraw/zinc/24/24/19/1196242419.db2.gz CHUSAODUYKXILY-RSJGLCBASA-N 0 3 376.501 0.607 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000329968708 1196243466 /nfs/dbraw/zinc/24/34/66/1196243466.db2.gz WEATVQSBDRYDCY-DJIMGWMZSA-N 0 3 377.485 0.873 20 0 GCADHN O=C([C@@H]1CCO[C@H]1C1CC1)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]2C1 ZINC001088048286 1196244603 /nfs/dbraw/zinc/24/46/03/1196244603.db2.gz WJVZHYQNHBNSKF-HPFXQQBRSA-N 0 3 390.484 0.134 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000330013610 1196246200 /nfs/dbraw/zinc/24/62/00/1196246200.db2.gz MGWRHIXVQJYMER-ZRGWGRIASA-N 0 3 392.500 0.892 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000330101505 1196253206 /nfs/dbraw/zinc/25/32/06/1196253206.db2.gz FNHRDFLDNMYFEV-SHYRYGCCSA-N 0 3 391.472 0.565 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CSCC(=O)N2CCCCC2)CC1 ZINC000330143015 1196255655 /nfs/dbraw/zinc/25/56/55/1196255655.db2.gz YQEZUVVIYCMLSE-INIZCTEOSA-N 0 3 396.557 0.497 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000330161578 1196257002 /nfs/dbraw/zinc/25/70/02/1196257002.db2.gz TVVUCNVRVVZQLT-JKSUJKDBSA-N 0 3 390.488 0.690 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1 ZINC000330164578 1196257163 /nfs/dbraw/zinc/25/71/63/1196257163.db2.gz WCLRXNCYNADYDO-GLJUWKHASA-N 0 3 380.514 0.205 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000280883134 1196264079 /nfs/dbraw/zinc/26/40/79/1196264079.db2.gz BEXZWZYIFBOLMO-RHSMWYFYSA-N 0 3 381.498 0.466 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000280893038 1196265713 /nfs/dbraw/zinc/26/57/13/1196265713.db2.gz MKEQHUUPDBTXOM-OXQOHEQNSA-N 0 3 378.517 0.298 20 0 GCADHN C[C@@H]1C[NH+](CCC2CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3N)CC2)C[C@@H](C)O1 ZINC000330311934 1196278691 /nfs/dbraw/zinc/27/86/91/1196278691.db2.gz OBEUZIBRAIWOFF-VXGBXAGGSA-N 0 3 379.461 0.822 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1OC ZINC000281152885 1196281112 /nfs/dbraw/zinc/28/11/12/1196281112.db2.gz BFLDCYPGVKWHPH-UHFFFAOYSA-N 0 3 386.470 0.871 20 0 GCADHN CN(C)CCN1CC[C@]2(CCN(C(=O)Cn3cc(Br)cn3)C2)C1=O ZINC001271257879 1196289135 /nfs/dbraw/zinc/28/91/35/1196289135.db2.gz DWLIXKKJZABRFY-MRXNPFEDSA-N 0 3 398.305 0.658 20 0 GCADHN COc1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1OCCO ZINC000281487269 1196298102 /nfs/dbraw/zinc/29/81/02/1196298102.db2.gz HGCCNEIXDKJOLV-INIZCTEOSA-N 0 3 393.484 0.739 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000167555856 1196303309 /nfs/dbraw/zinc/30/33/09/1196303309.db2.gz DLPQLHHOARTOSI-SJLPKXTDSA-N 0 3 376.501 0.242 20 0 GCADHN CN1CCN(CCNC(=O)NCc2ccc(NS(C)(=O)=O)cc2)CC1(C)C ZINC000281560656 1196309287 /nfs/dbraw/zinc/30/92/87/1196309287.db2.gz CSMNRIPRKRXJRH-UHFFFAOYSA-N 0 3 397.545 0.883 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000281630406 1196316782 /nfs/dbraw/zinc/31/67/82/1196316782.db2.gz QLLDJMJWGMMVAB-FSNWXROXSA-N 0 3 394.541 0.737 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000281672258 1196318955 /nfs/dbraw/zinc/31/89/55/1196318955.db2.gz UAWZYVLICLLWMP-GUYCJALGSA-N 0 3 381.498 0.512 20 0 GCADHN CN1CCN(CCNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1(C)C ZINC000281663988 1196319995 /nfs/dbraw/zinc/31/99/95/1196319995.db2.gz CNAGVECBNKBKFE-HOTGVXAUSA-N 0 3 392.525 0.833 20 0 GCADHN CCN(CCO)CCNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000281692980 1196323693 /nfs/dbraw/zinc/32/36/93/1196323693.db2.gz VJBIMHDRSCZBLA-UHFFFAOYSA-N 0 3 395.481 0.802 20 0 GCADHN CON(C)S(=O)(=O)c1cccc(C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281699883 1196323996 /nfs/dbraw/zinc/32/39/96/1196323996.db2.gz GWBHNKWGEBJJTI-UHFFFAOYSA-N 0 3 398.529 0.624 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000281704803 1196324526 /nfs/dbraw/zinc/32/45/26/1196324526.db2.gz WGARYZYMUIOIJE-MRXNPFEDSA-N 0 3 383.514 0.904 20 0 GCADHN Cc1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc(S(N)(=O)=O)c1C ZINC000281774591 1196330587 /nfs/dbraw/zinc/33/05/87/1196330587.db2.gz MNTIVPMMBWDSFU-UHFFFAOYSA-N 0 3 382.530 0.707 20 0 GCADHN CN1CCN(CCNC(=O)CCNC(=O)c2[nH]nc3ccccc32)CC1(C)C ZINC000281861795 1196342395 /nfs/dbraw/zinc/34/23/95/1196342395.db2.gz VNWPUQIRYQGLOT-UHFFFAOYSA-N 0 3 386.500 0.825 20 0 GCADHN CN1CCN(CCNC(=O)NCc2ccnc(N3CCOCC3)c2)CC1(C)C ZINC000281883367 1196343901 /nfs/dbraw/zinc/34/39/01/1196343901.db2.gz PMABPVOEBCHRQU-UHFFFAOYSA-N 0 3 390.532 0.743 20 0 GCADHN CN1CCN(CCNC(=O)CCn2cnc3sccc3c2=O)CC1(C)C ZINC000281892483 1196344565 /nfs/dbraw/zinc/34/45/65/1196344565.db2.gz YHSJYCSEQUZQMH-UHFFFAOYSA-N 0 3 377.514 0.990 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281908980 1196345432 /nfs/dbraw/zinc/34/54/32/1196345432.db2.gz ZWBVSYHGSHKKSD-UHFFFAOYSA-N 0 3 382.530 0.693 20 0 GCADHN COc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1N1CCNC1=O ZINC000281901174 1196345999 /nfs/dbraw/zinc/34/59/99/1196345999.db2.gz ZBLUXNKJWVGZFB-UHFFFAOYSA-N 0 3 389.500 0.981 20 0 GCADHN CN1CCOc2ccc(NC(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)cc21 ZINC000281904802 1196346540 /nfs/dbraw/zinc/34/65/40/1196346540.db2.gz IXUBQIXJAXYOTH-UHFFFAOYSA-N 0 3 389.500 0.596 20 0 GCADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522830354 1196348395 /nfs/dbraw/zinc/34/83/95/1196348395.db2.gz HQDMLONBSMOGGV-KRWDZBQOSA-N 0 3 399.495 0.243 20 0 GCADHN Cc1nnc(CCC(=O)N2CC[C@]3(C2)CN(CCN(C)C)C(=O)CO3)s1 ZINC001271399677 1196352004 /nfs/dbraw/zinc/35/20/04/1196352004.db2.gz LGPXSOLGYZZSFK-KRWDZBQOSA-N 0 3 381.502 0.171 20 0 GCADHN CN(Cc1ccccc1)C(=O)CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281956066 1196352691 /nfs/dbraw/zinc/35/26/91/1196352691.db2.gz UTIVBRMEPAWJJP-UHFFFAOYSA-N 0 3 375.517 0.970 20 0 GCADHN COc1ccc(S(=O)(=O)NCCN(C)C(C)C)cc1[C@]1(C)NC(=O)NC1=O ZINC000444175972 1196357583 /nfs/dbraw/zinc/35/75/83/1196357583.db2.gz MUVTWWCKRWHHJL-KRWDZBQOSA-N 0 3 398.485 0.368 20 0 GCADHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)CCN2C(=O)CCC2=O)C1 ZINC000522872538 1196358101 /nfs/dbraw/zinc/35/81/01/1196358101.db2.gz KSLRXKPPEIWPTI-HNNXBMFYSA-N 0 3 386.452 0.862 20 0 GCADHN CCc1nc(C)c(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)o1 ZINC001088104407 1196359337 /nfs/dbraw/zinc/35/93/37/1196359337.db2.gz IASLQWYPRBRVII-FXUDXRNXSA-N 0 3 390.484 0.859 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cccc4c3OCCO4)C[C@H]2C1 ZINC001088109254 1196362433 /nfs/dbraw/zinc/36/24/33/1196362433.db2.gz UKQNSZVREULFHZ-XBVQOTNRSA-N 0 3 385.464 0.860 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)NC(C)(C)C3=O)C[C@H]2C1 ZINC001088111565 1196364190 /nfs/dbraw/zinc/36/41/90/1196364190.db2.gz GNPYJJXQXSWWKX-WCVJEAGWSA-N 0 3 392.500 0.522 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)NCCN2CCN(c3ncccn3)CC2)C1(C)C ZINC000444274107 1196370322 /nfs/dbraw/zinc/37/03/22/1196370322.db2.gz XRSHWWUBMNVRBB-KXBFYZLASA-N 0 3 376.505 0.247 20 0 GCADHN Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000103204435 1196374148 /nfs/dbraw/zinc/37/41/48/1196374148.db2.gz VVWZYACUEDFFRV-QGZVFWFLSA-N 0 3 386.496 0.880 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 ZINC000103449141 1196375680 /nfs/dbraw/zinc/37/56/80/1196375680.db2.gz NJPQVMJDBIDICN-UHFFFAOYSA-N 0 3 385.468 0.409 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000103449465 1196375777 /nfs/dbraw/zinc/37/57/77/1196375777.db2.gz PIPRRBICQPFYGZ-UHFFFAOYSA-N 0 3 385.468 0.409 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000103449397 1196376017 /nfs/dbraw/zinc/37/60/17/1196376017.db2.gz TUFLLIXNKHRJGU-UHFFFAOYSA-N 0 3 377.470 0.382 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CCn2ncc(=O)c3ccccc32)CC1 ZINC000103449395 1196376041 /nfs/dbraw/zinc/37/60/41/1196376041.db2.gz LVYHTSCJZBWIQJ-UHFFFAOYSA-N 0 3 399.495 0.799 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(-n3cncn3)cc2)CC1 ZINC000103607763 1196376479 /nfs/dbraw/zinc/37/64/79/1196376479.db2.gz XEDALDNRPIVTIF-UHFFFAOYSA-N 0 3 399.499 0.963 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000103612841 1196376670 /nfs/dbraw/zinc/37/66/70/1196376670.db2.gz BITWUZQUEKRRQD-CQSZACIVSA-N 0 3 393.454 0.819 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000104257579 1196381302 /nfs/dbraw/zinc/38/13/02/1196381302.db2.gz OUVIXDVMQNLVBJ-KRWDZBQOSA-N 0 3 380.514 0.857 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)CC1 ZINC000897023532 1196384449 /nfs/dbraw/zinc/38/44/49/1196384449.db2.gz VSEMJABNZYOLAT-BRWVUGGUSA-N 0 3 395.500 0.452 20 0 GCADHN CNC(=O)c1ccc(OC)c(NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000665593873 1196384984 /nfs/dbraw/zinc/38/49/84/1196384984.db2.gz MLIHGKZAATXFLV-UHFFFAOYSA-N 0 3 379.461 0.539 20 0 GCADHN CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475157902 1196385552 /nfs/dbraw/zinc/38/55/52/1196385552.db2.gz SHUDCCKAXBHACG-DLBZAZTESA-N 0 3 382.530 0.419 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104573264 1196385813 /nfs/dbraw/zinc/38/58/13/1196385813.db2.gz PXUUGHARGYYJOU-UHFFFAOYSA-N 0 3 391.516 0.838 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104573264 1196385815 /nfs/dbraw/zinc/38/58/15/1196385815.db2.gz PXUUGHARGYYJOU-UHFFFAOYSA-N 0 3 391.516 0.838 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000985305194 1196406704 /nfs/dbraw/zinc/40/67/04/1196406704.db2.gz BBXYAGQMVGJKNU-APIJFGDWSA-N 0 3 375.473 0.940 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000985305194 1196406705 /nfs/dbraw/zinc/40/67/05/1196406705.db2.gz BBXYAGQMVGJKNU-APIJFGDWSA-N 0 3 375.473 0.940 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000028928024 1196418779 /nfs/dbraw/zinc/41/87/79/1196418779.db2.gz YGWRSBZUTWNWCS-UHFFFAOYSA-N 0 3 384.502 0.856 20 0 GCADHN CC(C)CN1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000301055549 1196420543 /nfs/dbraw/zinc/42/05/43/1196420543.db2.gz FQDZJEKSVQWIQY-UHFFFAOYSA-N 0 3 381.546 0.796 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@H](O)C3)cn2)CC1 ZINC000475442833 1196422925 /nfs/dbraw/zinc/42/29/25/1196422925.db2.gz DSBNOZWGHIZBEP-HIFRSBDPSA-N 0 3 376.457 0.770 20 0 GCADHN CN1CCC(NC(=O)c2nnc3n2CCN(C(=O)c2ccns2)C3)CC1 ZINC001271533048 1196429107 /nfs/dbraw/zinc/42/91/07/1196429107.db2.gz PWTHTBLAANUJFN-UHFFFAOYSA-N 0 3 375.458 0.215 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)Nc1cc(F)ccc1F ZINC000523045014 1196430524 /nfs/dbraw/zinc/43/05/24/1196430524.db2.gz RMJMMIINWKXQQX-UHFFFAOYSA-N 0 3 384.427 0.410 20 0 GCADHN CNS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(F)c1 ZINC000301922078 1196437019 /nfs/dbraw/zinc/43/70/19/1196437019.db2.gz JSFCFKKVFCBCEZ-MRXNPFEDSA-N 0 3 384.477 0.477 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1 ZINC000301983339 1196437493 /nfs/dbraw/zinc/43/74/93/1196437493.db2.gz YKEIJYQABIDTKY-DOTOQJQBSA-N 0 3 388.516 0.604 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1 ZINC000301983342 1196437754 /nfs/dbraw/zinc/43/77/54/1196437754.db2.gz YKEIJYQABIDTKY-RDJZCZTQSA-N 0 3 388.516 0.604 20 0 GCADHN CN1CCN(c2cc(NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)ncn2)CC1=O ZINC000302372617 1196441829 /nfs/dbraw/zinc/44/18/29/1196441829.db2.gz CNLZOCGPAFTKTI-ROUUACIJSA-N 0 3 396.495 0.802 20 0 GCADHN CN1CCN(c2cc(NC[C@H]3C[C@H](O)CN3Cc3ccccc3)ncn2)CC1=O ZINC000302372613 1196441948 /nfs/dbraw/zinc/44/19/48/1196441948.db2.gz CNLZOCGPAFTKTI-MSOLQXFVSA-N 0 3 396.495 0.802 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O ZINC000760114848 1196459322 /nfs/dbraw/zinc/45/93/22/1196459322.db2.gz PFRBWUFFSAZZNV-LBPRGKRZSA-N 0 3 385.461 0.909 20 0 GCADHN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1S(C)(=O)=O ZINC000444428574 1196465702 /nfs/dbraw/zinc/46/57/02/1196465702.db2.gz BFBUBUYPCHNIMF-OAHLLOKOSA-N 0 3 381.498 0.425 20 0 GCADHN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1S(C)(=O)=O ZINC000444428571 1196465802 /nfs/dbraw/zinc/46/58/02/1196465802.db2.gz BFBUBUYPCHNIMF-HNNXBMFYSA-N 0 3 381.498 0.425 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000106178457 1196471235 /nfs/dbraw/zinc/47/12/35/1196471235.db2.gz DFMRFBGHHLFQFX-KBXCAEBGSA-N 0 3 376.505 0.686 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1(C)C ZINC000282009015 1196474102 /nfs/dbraw/zinc/47/41/02/1196474102.db2.gz NTVNRZKPTBNKBW-UHFFFAOYSA-N 0 3 399.499 0.407 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000648106918 1196479477 /nfs/dbraw/zinc/47/94/77/1196479477.db2.gz HYHCGISOQJGJJV-GXFFZTMASA-N 0 3 393.469 0.808 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000985502178 1196483128 /nfs/dbraw/zinc/48/31/28/1196483128.db2.gz COLDDDCSUWXILI-VSZNYVQBSA-N 0 3 386.496 0.979 20 0 GCADHN C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000111221285 1196490831 /nfs/dbraw/zinc/49/08/31/1196490831.db2.gz UXXOKMXJIKCRJJ-ZIAGYGMSSA-N 0 3 378.498 0.618 20 0 GCADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000115565881 1196495870 /nfs/dbraw/zinc/49/58/70/1196495870.db2.gz AVHZLUZYXXCTCZ-SLTAFYQDSA-N 0 3 391.516 0.434 20 0 GCADHN CCC[C@@H](C)N1C[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000487503587 1196500029 /nfs/dbraw/zinc/50/00/29/1196500029.db2.gz RKLMJLHKKOKNSX-SJORKVTESA-N 0 3 378.517 0.790 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H](O)COc1ccccc1 ZINC000523209625 1196503432 /nfs/dbraw/zinc/50/34/32/1196503432.db2.gz QVGIQTKCZSBYEP-FUHWJXTLSA-N 0 3 392.500 0.668 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCNC(=O)c1cccnc1 ZINC000523209327 1196503458 /nfs/dbraw/zinc/50/34/58/1196503458.db2.gz GDAHHWPGYRGNAL-MRXNPFEDSA-N 0 3 390.488 0.053 20 0 GCADHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000444619103 1196509914 /nfs/dbraw/zinc/50/99/14/1196509914.db2.gz VQVNWTUYAFROML-UHFFFAOYSA-N 0 3 382.486 0.511 20 0 GCADHN CC1(C)CCCN(CCNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1 ZINC000444628833 1196510772 /nfs/dbraw/zinc/51/07/72/1196510772.db2.gz FAFCAUVXFIQOSG-UHFFFAOYSA-N 0 3 386.504 0.974 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2ccn(CC(F)F)n2)Cc2ccccc2C1 ZINC000444663313 1196513627 /nfs/dbraw/zinc/51/36/27/1196513627.db2.gz KXRJTGUKIGIVJL-UHFFFAOYSA-N 0 3 391.422 1.302 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc1 ZINC000523392767 1196519648 /nfs/dbraw/zinc/51/96/48/1196519648.db2.gz UCHJITOLFCMAPR-UHFFFAOYSA-N 0 3 399.513 0.940 20 0 GCADHN C[C@@H](NC(=O)[C@@H](C)N(C)CC1(O)CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000444756952 1196519743 /nfs/dbraw/zinc/51/97/43/1196519743.db2.gz SIRFQIJUYOOSIP-ZIAGYGMSSA-N 0 3 399.513 0.373 20 0 GCADHN C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N(C)CC1(O)CCOCC1 ZINC000444750627 1196520051 /nfs/dbraw/zinc/52/00/51/1196520051.db2.gz HCONUDISEQSNRE-OAHLLOKOSA-N 0 3 378.469 0.978 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1 ZINC000665889801 1196531513 /nfs/dbraw/zinc/53/15/13/1196531513.db2.gz HRFDOIRVJREPTB-KRWDZBQOSA-N 0 3 383.514 0.355 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000523581637 1196535646 /nfs/dbraw/zinc/53/56/46/1196535646.db2.gz ZERMWIFFZUJHRB-GOSISDBHSA-N 0 3 375.469 0.989 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523626765 1196537758 /nfs/dbraw/zinc/53/77/58/1196537758.db2.gz QJHUPPUKBZSREX-MSOLQXFVSA-N 0 3 397.564 0.585 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CC1 ZINC000445028394 1196538495 /nfs/dbraw/zinc/53/84/95/1196538495.db2.gz BCKRPTBXMDEEQX-HNNXBMFYSA-N 0 3 390.484 0.545 20 0 GCADHN CS(=O)(=O)N1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523667746 1196541418 /nfs/dbraw/zinc/54/14/18/1196541418.db2.gz YALRBVOLWQFGTN-KRWDZBQOSA-N 0 3 380.514 0.788 20 0 GCADHN Cn1cc(C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)c(=O)[nH]c1=O ZINC000523670331 1196542021 /nfs/dbraw/zinc/54/20/21/1196542021.db2.gz RZMAXJLGVIVDKJ-ZDUSSCGKSA-N 0 3 385.424 0.436 20 0 GCADHN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000523758130 1196556993 /nfs/dbraw/zinc/55/69/93/1196556993.db2.gz QASFLXCQLHQKRN-HNNXBMFYSA-N 0 3 385.534 0.947 20 0 GCADHN Cc1ncc2c(n1)CC[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C2 ZINC000523917649 1196566578 /nfs/dbraw/zinc/56/65/78/1196566578.db2.gz WYSDOYGTJNUDGI-FUHWJXTLSA-N 0 3 388.516 0.884 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000524089949 1196575244 /nfs/dbraw/zinc/57/52/44/1196575244.db2.gz JTOHLJSTQGMKLV-UHFFFAOYSA-N 0 3 390.419 0.572 20 0 GCADHN CCN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000897340504 1196576565 /nfs/dbraw/zinc/57/65/65/1196576565.db2.gz SCRISSFBOYWNCM-CVEARBPZSA-N 0 3 392.500 0.633 20 0 GCADHN CCn1cc(N2C(=O)C[C@@H](N3CCN(CC4CCOCC4)CC3)C2=O)cn1 ZINC000524243893 1196583542 /nfs/dbraw/zinc/58/35/42/1196583542.db2.gz VQCJDLOOLLGMGT-QGZVFWFLSA-N 0 3 375.473 0.579 20 0 GCADHN CCOC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000524408968 1196593179 /nfs/dbraw/zinc/59/31/79/1196593179.db2.gz MNLPBLVJLOHNMF-OAHLLOKOSA-N 0 3 397.497 0.729 20 0 GCADHN COC(=O)COc1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000524420187 1196594280 /nfs/dbraw/zinc/59/42/80/1196594280.db2.gz VDHCOWHERHYWLV-QGZVFWFLSA-N 0 3 391.468 0.911 20 0 GCADHN Cc1ncc2c(n1)CC[C@H](NC(=O)NCCCCN1CCN(CCO)CC1)C2 ZINC000524421579 1196594562 /nfs/dbraw/zinc/59/45/62/1196594562.db2.gz NKBQFPGSUKWHBL-SFHVURJKSA-N 0 3 390.532 0.332 20 0 GCADHN O=C(CN1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1)NCc1ccccc1 ZINC000524492239 1196599537 /nfs/dbraw/zinc/59/95/37/1196599537.db2.gz KYJDTRRDBZFICN-SFHVURJKSA-N 0 3 385.512 0.867 20 0 GCADHN Cc1[nH]ncc1CCCNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000524494195 1196599645 /nfs/dbraw/zinc/59/96/45/1196599645.db2.gz XYYIVQCQHNEFPT-INIZCTEOSA-N 0 3 392.504 0.225 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)N(CCOC)CCN(C)C)c(C)c1 ZINC000524561327 1196606717 /nfs/dbraw/zinc/60/67/17/1196606717.db2.gz BORBAWGAFBXNOV-UHFFFAOYSA-N 0 3 378.473 0.720 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000446062801 1196609969 /nfs/dbraw/zinc/60/99/69/1196609969.db2.gz OXNOBZSKZPWRBB-LSDHHAIUSA-N 0 3 393.513 0.724 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000508553598 1196610553 /nfs/dbraw/zinc/61/05/53/1196610553.db2.gz ASXKQTBRWBPDRQ-GOEBONIOSA-N 0 3 379.505 0.239 20 0 GCADHN O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000524719036 1196619116 /nfs/dbraw/zinc/61/91/16/1196619116.db2.gz QFTOGORJOUTRJA-RZQQEMMASA-N 0 3 385.468 0.788 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000446195456 1196620975 /nfs/dbraw/zinc/62/09/75/1196620975.db2.gz IXZYUOQAUINISF-UIVXKWKOSA-N 0 3 379.501 0.616 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000524773958 1196621700 /nfs/dbraw/zinc/62/17/00/1196621700.db2.gz YZOWVEQHRBYWSK-INIZCTEOSA-N 0 3 398.529 0.629 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000524814750 1196629314 /nfs/dbraw/zinc/62/93/14/1196629314.db2.gz SDORFTKWEQQPNP-GOSISDBHSA-N 0 3 375.517 0.773 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446275123 1196629963 /nfs/dbraw/zinc/62/99/63/1196629963.db2.gz JRELYODKWZANTO-KHTYJDQRSA-N 0 3 378.517 0.330 20 0 GCADHN CCN(CC)C(=O)CN1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446289164 1196631583 /nfs/dbraw/zinc/63/15/83/1196631583.db2.gz PNTUIDZZDQROCE-RIFZZMRRSA-N 0 3 380.533 0.532 20 0 GCADHN COCCNC(=O)Cn1cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cn1 ZINC000446293950 1196632231 /nfs/dbraw/zinc/63/22/31/1196632231.db2.gz SMPSFZUZFNHJQL-QIIPPGSGSA-N 0 3 379.461 0.117 20 0 GCADHN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446315452 1196632805 /nfs/dbraw/zinc/63/28/05/1196632805.db2.gz JVSHOXWDOYSLGX-RLFYNMQTSA-N 0 3 387.546 0.791 20 0 GCADHN CCN(C1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1)S(C)(=O)=O ZINC000446316578 1196633325 /nfs/dbraw/zinc/63/33/25/1196633325.db2.gz WRKUQFMHEJKKTC-RVKKMQEKSA-N 0 3 387.546 0.791 20 0 GCADHN CCc1nc(CN2CCN(C(=O)[C@]3(N)[C@H]4CCCO[C@@H]4C3(C)C)CC2)no1 ZINC000446360128 1196637242 /nfs/dbraw/zinc/63/72/42/1196637242.db2.gz PAOVEVOJSKNULG-IYJAJMOOSA-N 0 3 377.489 0.809 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446377837 1196638825 /nfs/dbraw/zinc/63/88/25/1196638825.db2.gz WFLOXTPMDMAMKI-HDMKZQKVSA-N 0 3 387.546 0.839 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000446380044 1196638927 /nfs/dbraw/zinc/63/89/27/1196638927.db2.gz CZKWYJVCFGFRSK-AKCHCHLHSA-N 0 3 388.468 0.763 20 0 GCADHN CN(C)c1nccc(N2CCN(C(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)CC2)n1 ZINC000446372892 1196640373 /nfs/dbraw/zinc/64/03/73/1196640373.db2.gz YGIHRRUKTLVRFW-PTSWNOGYSA-N 0 3 388.516 0.724 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000446432288 1196642229 /nfs/dbraw/zinc/64/22/29/1196642229.db2.gz HHSFRKIEXNAVRJ-UHFFFAOYSA-N 0 3 398.471 0.919 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2c[nH]nc2-c2nccs2)CC1 ZINC000446453640 1196642506 /nfs/dbraw/zinc/64/25/06/1196642506.db2.gz FEDUIMYVHXKWLN-UHFFFAOYSA-N 0 3 377.474 0.225 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cn(C)nc1C(F)(F)F)CN1CCN(C)CC1 ZINC000446536756 1196647995 /nfs/dbraw/zinc/64/79/95/1196647995.db2.gz CRJLGESBWSZHLU-LLVKDONJSA-N 0 3 390.410 0.377 20 0 GCADHN CN(CCNC(=O)C1CCN(C(=O)[C@H]2COCCO2)CC1)Cc1ccccc1 ZINC000525086046 1196648133 /nfs/dbraw/zinc/64/81/33/1196648133.db2.gz WGJIHCJQOFUCPN-LJQANCHMSA-N 0 3 389.496 0.889 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000446578297 1196651178 /nfs/dbraw/zinc/65/11/78/1196651178.db2.gz QIIUONZNEAIWRV-ZDUSSCGKSA-N 0 3 383.474 0.270 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccnn2CC(C)C)CC1 ZINC000446716626 1196660660 /nfs/dbraw/zinc/66/06/60/1196660660.db2.gz KMJZOVYISCYAPR-UHFFFAOYSA-N 0 3 392.504 0.490 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCc2cc[nH]n2)cc1)[C@@H]1CCCN(C)C1 ZINC000525268461 1196662264 /nfs/dbraw/zinc/66/22/64/1196662264.db2.gz HPUFKKYGHINKJH-QGZVFWFLSA-N 0 3 398.467 0.831 20 0 GCADHN COc1ccc([C@H](CCn2cncn2)NC[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000446925532 1196683026 /nfs/dbraw/zinc/68/30/26/1196683026.db2.gz PQRNUNBQFCZEFN-IRXDYDNUSA-N 0 3 380.470 0.821 20 0 GCADHN CN(C)Cc1cccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000525495230 1196686930 /nfs/dbraw/zinc/68/69/30/1196686930.db2.gz LTUVBCUWXNQAKF-QGZVFWFLSA-N 0 3 383.514 0.967 20 0 GCADHN C[C@H](CNC(=O)N1CCN(Cc2cnn(C)c2)CC1)CN1CCN(C)CC1 ZINC000525818487 1196713047 /nfs/dbraw/zinc/71/30/47/1196713047.db2.gz MVOXHLOSFKTEIY-QGZVFWFLSA-N 0 3 377.537 0.131 20 0 GCADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000525821813 1196713315 /nfs/dbraw/zinc/71/33/15/1196713315.db2.gz PVIHWNZKBAOZJS-INIZCTEOSA-N 0 3 398.529 0.240 20 0 GCADHN COCC[C@@]1(NCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CCOC1 ZINC000447382186 1196714100 /nfs/dbraw/zinc/71/41/00/1196714100.db2.gz IGOVJTLCNRFMCR-FUHWJXTLSA-N 0 3 388.530 0.730 20 0 GCADHN C[C@@H](CNC(=O)c1cc2c(nc3ccccn3c2=O)n1C)CN1CCN(C)CC1 ZINC000525882680 1196720719 /nfs/dbraw/zinc/72/07/19/1196720719.db2.gz VPLLRLCBSGTAIL-HNNXBMFYSA-N 0 3 396.495 0.800 20 0 GCADHN C[C@H](N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NC(=O)NCc1ccccc1 ZINC000429718467 1196736350 /nfs/dbraw/zinc/73/63/50/1196736350.db2.gz NDKRZBPZAXLAMH-IMJJTQAJSA-N 0 3 396.513 0.851 20 0 GCADHN Cn1c(C(=O)NCCCCN2CCN(C)CC2)cc2c1nc1ccccn1c2=O ZINC000526136166 1196742491 /nfs/dbraw/zinc/74/24/91/1196742491.db2.gz WRONDDQZOSHENP-UHFFFAOYSA-N 0 3 396.495 0.944 20 0 GCADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000447793212 1196750237 /nfs/dbraw/zinc/75/02/37/1196750237.db2.gz DWLSWMOBYZOBIR-HUUCEWRRSA-N 0 3 391.534 0.532 20 0 GCADHN C[C@H](O)C[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000447829556 1196752218 /nfs/dbraw/zinc/75/22/18/1196752218.db2.gz GVXNRQIZXNBONZ-IRXDYDNUSA-N 0 3 382.549 0.671 20 0 GCADHN C[C@@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)C[C@H](CO)O1 ZINC000527039090 1196757316 /nfs/dbraw/zinc/75/73/16/1196757316.db2.gz SBCCVGIZCOGQFG-DNVCBOLYSA-N 0 3 377.485 0.935 20 0 GCADHN O=C(CN[C@@H](CO)[C@@H]1CCCO1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000447917828 1196757962 /nfs/dbraw/zinc/75/79/62/1196757962.db2.gz RRTMCUUAFYUFBJ-ROUUACIJSA-N 0 3 375.469 0.993 20 0 GCADHN COc1cc(CN[C@H](CO)[C@@H]2CCCO2)ccc1OCC(=O)N1CCOCC1 ZINC000447972249 1196762276 /nfs/dbraw/zinc/76/22/76/1196762276.db2.gz PNMIFNBWIPAFBR-SJORKVTESA-N 0 3 394.468 0.562 20 0 GCADHN C[C@@H]1OCC[C@]12CN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C[C@@H](C)O2 ZINC000447965896 1196762376 /nfs/dbraw/zinc/76/23/76/1196762376.db2.gz UZKOQEFTMJQZNN-YZLZLFLDSA-N 0 3 396.532 0.907 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N[C@H](CO)[C@H]3CCCO3)cc2)CC1 ZINC000447968652 1196762506 /nfs/dbraw/zinc/76/25/06/1196762506.db2.gz QZYGZYYIKNDCIR-RTBURBONSA-N 0 3 376.501 0.773 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000527135210 1196769283 /nfs/dbraw/zinc/76/92/83/1196769283.db2.gz GQMHBGUHWMJNIL-KRWDZBQOSA-N 0 3 380.514 0.691 20 0 GCADHN COCCNC(=O)CN1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000448255788 1196783579 /nfs/dbraw/zinc/78/35/79/1196783579.db2.gz KIXADPPJBRTSCU-INIZCTEOSA-N 0 3 383.537 0.197 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cn1 ZINC000448317752 1196790054 /nfs/dbraw/zinc/79/00/54/1196790054.db2.gz KDOPXFYIIJZBEG-CQSZACIVSA-N 0 3 378.477 0.146 20 0 GCADHN COC(=O)Cn1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cn1 ZINC000448321444 1196792386 /nfs/dbraw/zinc/79/23/86/1196792386.db2.gz ZHADGHSVNZKDTJ-XJKSGUPXSA-N 0 3 382.486 0.694 20 0 GCADHN CN(C)C(=O)c1cc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)ccn1 ZINC000448328781 1196792762 /nfs/dbraw/zinc/79/27/62/1196792762.db2.gz RVAQZZREFYZJKZ-HNNXBMFYSA-N 0 3 375.473 0.959 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000448328077 1196792808 /nfs/dbraw/zinc/79/28/08/1196792808.db2.gz OIMTXRPYGKJBAY-HNNXBMFYSA-N 0 3 376.457 0.726 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000448328078 1196792890 /nfs/dbraw/zinc/79/28/90/1196792890.db2.gz OIMTXRPYGKJBAY-OAHLLOKOSA-N 0 3 376.457 0.726 20 0 GCADHN COc1ncc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1C(N)=O ZINC000448324389 1196792975 /nfs/dbraw/zinc/79/29/75/1196792975.db2.gz FJRDLCUZDPHSKU-CYBMUJFWSA-N 0 3 377.445 0.364 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N[C@H](CO)[C@@H]3CCCO3)cn2)CC1 ZINC000448403693 1196798872 /nfs/dbraw/zinc/79/88/72/1196798872.db2.gz HZHAIXAGHBSNEN-CVEARBPZSA-N 0 3 392.456 0.149 20 0 GCADHN CNC(=O)CN1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000116442640 1196810024 /nfs/dbraw/zinc/81/00/24/1196810024.db2.gz WMBSNLXUYDICRC-KRWDZBQOSA-N 0 3 376.476 0.928 20 0 GCADHN CC(=O)c1cn(CC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)nn1 ZINC000448676851 1196824027 /nfs/dbraw/zinc/82/40/27/1196824027.db2.gz JVHGRMLRIXIEDM-LJQANCHMSA-N 0 3 384.484 0.976 20 0 GCADHN CNS(=O)(=O)NCC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000448735114 1196827279 /nfs/dbraw/zinc/82/72/79/1196827279.db2.gz IDQYGZYUZYRRHI-INIZCTEOSA-N 0 3 382.530 0.629 20 0 GCADHN CCN1C(=O)C[C@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)[C@H]1c1cccnc1 ZINC000448978586 1196843569 /nfs/dbraw/zinc/84/35/69/1196843569.db2.gz XWAVBTAADICPNE-IMFGXOCKSA-N 0 3 387.528 0.991 20 0 GCADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000528319474 1196847709 /nfs/dbraw/zinc/84/77/09/1196847709.db2.gz PPAZZBHQGXGMHF-JTQLQIEISA-N 0 3 397.423 0.305 20 0 GCADHN CN1CCN(Cc2cc(Cl)cc(CN3CCN(C)C[C@@H]3CO)c2)[C@@H](CO)C1 ZINC000639867163 1196857364 /nfs/dbraw/zinc/85/73/64/1196857364.db2.gz KQVWCPGLCCOMGH-WOJBJXKFSA-N 0 3 396.963 0.557 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000528422452 1196859921 /nfs/dbraw/zinc/85/99/21/1196859921.db2.gz KGZQMQOSBNWTQP-UHFFFAOYSA-N 0 3 388.468 0.668 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000528514582 1196864711 /nfs/dbraw/zinc/86/47/11/1196864711.db2.gz PSQNARCAZIKAHC-UHFFFAOYSA-N 0 3 388.512 0.869 20 0 GCADHN O=S(=O)(c1ccccc1CNC[C@H]1CCCCN1CCO)N1CCOCC1 ZINC000449391868 1196870657 /nfs/dbraw/zinc/87/06/57/1196870657.db2.gz ISBUNWGAEKSQSF-GOSISDBHSA-N 0 3 397.541 0.644 20 0 GCADHN CCN1CCN(C(=O)Cc2ccc(NC(=O)NC[C@H]3COCCN3)cc2)CC1 ZINC000528682485 1196877728 /nfs/dbraw/zinc/87/77/28/1196877728.db2.gz QQCLTOBGNPVITE-SFHVURJKSA-N 0 3 389.500 0.503 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000528738814 1196885890 /nfs/dbraw/zinc/88/58/90/1196885890.db2.gz QXYLNHXUXYWCJI-SFHVURJKSA-N 0 3 386.496 0.819 20 0 GCADHN COc1cc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)cc(OC)c1OCC(N)=O ZINC000449545866 1196886195 /nfs/dbraw/zinc/88/61/95/1196886195.db2.gz UNBRPNLIXJTDGV-OKILXGFUSA-N 0 3 381.473 0.455 20 0 GCADHN C[C@@H](NC(=O)NC[C@@H]1COCCN1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000529304276 1196915323 /nfs/dbraw/zinc/91/53/23/1196915323.db2.gz PIRZVJCPVVGBPR-GDBMZVCRSA-N 0 3 379.480 0.926 20 0 GCADHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCC(=O)N1CCNCC1 ZINC000529328796 1196915786 /nfs/dbraw/zinc/91/57/86/1196915786.db2.gz HBNXWNVETIKLOC-LJQANCHMSA-N 0 3 387.528 0.970 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529439238 1196921404 /nfs/dbraw/zinc/92/14/04/1196921404.db2.gz NSNYAJJMORGKEN-SFHVURJKSA-N 0 3 375.469 0.736 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529440651 1196922118 /nfs/dbraw/zinc/92/21/18/1196922118.db2.gz CZNDEHWLYNCXPO-GOSISDBHSA-N 0 3 375.469 0.736 20 0 GCADHN CN(C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COC[C@H]2CCOC2)CCC1 ZINC001719904400 1196922680 /nfs/dbraw/zinc/92/26/80/1196922680.db2.gz BRFPLMAQAJADPQ-HZMVEIRTSA-N 0 3 379.501 0.772 20 0 GCADHN O=C(NCCc1ccc(OC(F)F)cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000785412831 1196926070 /nfs/dbraw/zinc/92/60/70/1196926070.db2.gz VOSYHZHCDVPRLA-GOEBONIOSA-N 0 3 397.422 0.926 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(N(C)C)CCC1)C2 ZINC001719904584 1196935419 /nfs/dbraw/zinc/93/54/19/1196935419.db2.gz KIBLLBXYWWBWGL-FPCVCCKLSA-N 0 3 378.517 0.866 20 0 GCADHN CN(Cc1ccc(F)c(CN(C)[C@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000450706873 1196949357 /nfs/dbraw/zinc/94/93/57/1196949357.db2.gz GSBMGGNHCOPOPG-UXHICEINSA-N 0 3 382.476 0.992 20 0 GCADHN CCOC(=O)[C@H]1CN(C[C@H](O)COc2ccc3c(c2)OCO3)CC12COC2 ZINC000451138869 1196972516 /nfs/dbraw/zinc/97/25/16/1196972516.db2.gz RBUXHSLCMDVJNW-DZGCQCFKSA-N 0 3 379.409 0.667 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000451197015 1196979390 /nfs/dbraw/zinc/97/93/90/1196979390.db2.gz XRNOAVDAEDMQNY-NSHDSACASA-N 0 3 398.407 0.741 20 0 GCADHN CCc1nnc(N2CCNC(=O)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001709154878 1196984814 /nfs/dbraw/zinc/98/48/14/1196984814.db2.gz YIVLJTILQNIDDG-OAHLLOKOSA-N 0 3 391.520 0.110 20 0 GCADHN CCO[C@@H]1C[C@@H](NCC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C12CCC2 ZINC000451477565 1196993963 /nfs/dbraw/zinc/99/39/63/1196993963.db2.gz XIOLDDBBJZEHOM-ARFHVFGLSA-N 0 3 388.530 0.586 20 0 GCADHN COCCN(C(=O)CN[C@@H]1C[C@@H](OC(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000451493680 1196995426 /nfs/dbraw/zinc/99/54/26/1196995426.db2.gz JONHVEOYLLXODJ-ARFHVFGLSA-N 0 3 390.546 0.830 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c(OC)c(OC)c1 ZINC000530567380 1196996895 /nfs/dbraw/zinc/99/68/95/1196996895.db2.gz XTNAJKMWVNZIJU-GFCCVEGCSA-N 0 3 393.440 0.887 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000530619375 1197000247 /nfs/dbraw/zinc/00/02/47/1197000247.db2.gz HHZRGJVCTRCLSC-UHFFFAOYSA-N 0 3 386.518 0.884 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@H]3CCCN3C)cn2)C[C@H](C)O1 ZINC000530630595 1197001313 /nfs/dbraw/zinc/00/13/13/1197001313.db2.gz BPVVKVRSRHLCFG-IJEWVQPXSA-N 0 3 378.477 0.735 20 0 GCADHN COc1ccc(COC[C@@H](O)CN2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1OC ZINC000451661530 1197007893 /nfs/dbraw/zinc/00/78/93/1197007893.db2.gz GLKIRIJVLDLLMD-JZXOWHBKSA-N 0 3 382.501 0.968 20 0 GCADHN COc1ccc(COC[C@H](O)CN2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1OC ZINC000451661531 1197008283 /nfs/dbraw/zinc/00/82/83/1197008283.db2.gz GLKIRIJVLDLLMD-SOLBZPMBSA-N 0 3 382.501 0.968 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1)S(C)(=O)=O ZINC000451695017 1197008753 /nfs/dbraw/zinc/00/87/53/1197008753.db2.gz MIUBQJXSUJSWFM-IXDOHACOSA-N 0 3 389.562 0.646 20 0 GCADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000530719779 1197011520 /nfs/dbraw/zinc/01/15/20/1197011520.db2.gz LOYZFVUGNOXHPZ-RBUKOAKNSA-N 0 3 376.501 0.445 20 0 GCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000530806840 1197017438 /nfs/dbraw/zinc/01/74/38/1197017438.db2.gz CXOIOVXHFMIBPL-ZDUSSCGKSA-N 0 3 376.457 0.794 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000122209086 1197019287 /nfs/dbraw/zinc/01/92/87/1197019287.db2.gz FSZAWUGFBKURSD-ZWKOTPCHSA-N 0 3 387.528 0.820 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c(OC)c1 ZINC000451858101 1197019619 /nfs/dbraw/zinc/01/96/19/1197019619.db2.gz IHNHXEIWFDAULX-OWCLPIDISA-N 0 3 392.452 0.917 20 0 GCADHN COC[C@]1(CO)CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000451930345 1197024688 /nfs/dbraw/zinc/02/46/88/1197024688.db2.gz QRLGDTVXZBGYFJ-LJQANCHMSA-N 0 3 383.533 0.469 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)CN(CC(C)(C)O)C1CCOCC1 ZINC000530939406 1197029482 /nfs/dbraw/zinc/02/94/82/1197029482.db2.gz MRJPCHUCWFTIQB-UHFFFAOYSA-N 0 3 382.461 0.787 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000531044993 1197041739 /nfs/dbraw/zinc/04/17/39/1197041739.db2.gz HPZWMCPIHJYTPD-AWEZNQCLSA-N 0 3 376.457 0.550 20 0 GCADHN COC(=O)c1ccc(OC)c(S(=O)(=O)NCCCCN2CCN(C)CC2)c1 ZINC000531094436 1197045438 /nfs/dbraw/zinc/04/54/38/1197045438.db2.gz YGKVXBDXQLNKSQ-UHFFFAOYSA-N 0 3 399.513 0.788 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1)CN1CCN(C)CC1 ZINC000531182416 1197052171 /nfs/dbraw/zinc/05/21/71/1197052171.db2.gz QLGZPCODIPTAAA-OAHLLOKOSA-N 0 3 385.472 0.206 20 0 GCADHN Cc1oc(C(=O)NC[C@H]2CCCN2CCCO)cc1S(=O)(=O)N1CCCC1 ZINC000452355788 1197054373 /nfs/dbraw/zinc/05/43/73/1197054373.db2.gz YTSVBTLZQCJYGE-OAHLLOKOSA-N 0 3 399.513 0.949 20 0 GCADHN O=C(Cn1cc(C(=O)NC[C@H]2CCCN2CCCO)cn1)NC1CCCC1 ZINC000452358088 1197054689 /nfs/dbraw/zinc/05/46/89/1197054689.db2.gz FWMVJHQXAWTTQU-QGZVFWFLSA-N 0 3 377.489 0.519 20 0 GCADHN O=C(Cn1cc(C(=O)NC[C@@H]2CCCN2CCCO)cn1)NC1CCCCC1 ZINC000452363233 1197056152 /nfs/dbraw/zinc/05/61/52/1197056152.db2.gz LNMPUYZTKXKJKQ-SFHVURJKSA-N 0 3 391.516 0.909 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000452373776 1197057214 /nfs/dbraw/zinc/05/72/14/1197057214.db2.gz HYXMIJDISASDNX-MRXNPFEDSA-N 0 3 383.514 0.545 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000452377679 1197057818 /nfs/dbraw/zinc/05/78/18/1197057818.db2.gz RWAKDGMRJNJMDZ-KRWDZBQOSA-N 0 3 397.541 0.935 20 0 GCADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452378725 1197058810 /nfs/dbraw/zinc/05/88/10/1197058810.db2.gz XOJGCRSRCDCUGM-NVXWUHKLSA-N 0 3 387.488 0.238 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)C1 ZINC000531283207 1197061942 /nfs/dbraw/zinc/06/19/42/1197061942.db2.gz BQIKPAHSLYAOEW-AWEZNQCLSA-N 0 3 375.473 0.583 20 0 GCADHN CCOC(=O)c1cnn(C2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)c1 ZINC000452446618 1197063036 /nfs/dbraw/zinc/06/30/36/1197063036.db2.gz SEDCCECYUJVOFT-KRWDZBQOSA-N 0 3 375.473 0.613 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC000531497811 1197078986 /nfs/dbraw/zinc/07/89/86/1197078986.db2.gz XQCWYYACKFWKJG-HNNXBMFYSA-N 0 3 385.472 0.348 20 0 GCADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000531484965 1197079327 /nfs/dbraw/zinc/07/93/27/1197079327.db2.gz DXZKXFDESDHZOC-GVDBMIGSSA-N 0 3 393.532 0.186 20 0 GCADHN COc1cccc(C[C@H](NC(C)=O)C(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000452789185 1197081662 /nfs/dbraw/zinc/08/16/62/1197081662.db2.gz AKMTYDRLNAYNHU-MJGOQNOKSA-N 0 3 377.485 0.705 20 0 GCADHN O=C(CC1(C(=O)N[C@H]2CCCN(CCCO)C2)CCCC1)N1CCOCC1 ZINC000452795663 1197082544 /nfs/dbraw/zinc/08/25/44/1197082544.db2.gz JUKICOSWEQZEJN-KRWDZBQOSA-N 0 3 381.517 0.759 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C3CCCCC3)CC2)CC1 ZINC000531733350 1197094002 /nfs/dbraw/zinc/09/40/02/1197094002.db2.gz VEHUTBHLRDVNRJ-UHFFFAOYSA-N 0 3 379.549 0.169 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)C2)CC1 ZINC000531831935 1197100380 /nfs/dbraw/zinc/10/03/80/1197100380.db2.gz YOIHSFNMQBVJQV-HNNXBMFYSA-N 0 3 397.545 0.506 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CC1 ZINC000531954577 1197105316 /nfs/dbraw/zinc/10/53/16/1197105316.db2.gz GHOFGSDOZUOHOV-HNNXBMFYSA-N 0 3 385.424 0.341 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000532067778 1197109633 /nfs/dbraw/zinc/10/96/33/1197109633.db2.gz NBOYAERUFYFRGM-PBHICJAKSA-N 0 3 393.513 0.580 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532077739 1197111907 /nfs/dbraw/zinc/11/19/07/1197111907.db2.gz LVRJGFGRBKVXIY-KSSFIOAISA-N 0 3 393.509 0.920 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532078172 1197112001 /nfs/dbraw/zinc/11/20/01/1197112001.db2.gz WDWHXAOIMXJTKT-GUYCJALGSA-N 0 3 389.500 0.859 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532078172 1197112002 /nfs/dbraw/zinc/11/20/02/1197112002.db2.gz WDWHXAOIMXJTKT-GUYCJALGSA-N 0 3 389.500 0.859 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532077740 1197112037 /nfs/dbraw/zinc/11/20/37/1197112037.db2.gz LVRJGFGRBKVXIY-RDTXWAMCSA-N 0 3 393.509 0.920 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532078173 1197112169 /nfs/dbraw/zinc/11/21/69/1197112169.db2.gz WDWHXAOIMXJTKT-SUMWQHHRSA-N 0 3 389.500 0.859 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532078173 1197112172 /nfs/dbraw/zinc/11/21/72/1197112172.db2.gz WDWHXAOIMXJTKT-SUMWQHHRSA-N 0 3 389.500 0.859 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)Cn3c4ccccc4c(=O)[nH]c3=O)C2)CC1 ZINC000532093506 1197112943 /nfs/dbraw/zinc/11/29/43/1197112943.db2.gz OKCUWRHLSKSBHE-INIZCTEOSA-N 0 3 399.495 0.729 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000532094672 1197113042 /nfs/dbraw/zinc/11/30/42/1197113042.db2.gz AJLPLRUYNBQARK-IAGOWNOFSA-N 0 3 375.521 0.711 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O)N1CCCC1 ZINC000532099077 1197114065 /nfs/dbraw/zinc/11/40/65/1197114065.db2.gz FSYJLCBZCVEVKG-LBPRGKRZSA-N 0 3 385.461 0.909 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000453614952 1197114098 /nfs/dbraw/zinc/11/40/98/1197114098.db2.gz QIYAAOQGECJKFY-QWHCGFSZSA-N 0 3 376.457 0.969 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000532145621 1197117871 /nfs/dbraw/zinc/11/78/71/1197117871.db2.gz TUQPSSCFSVQSOP-LBPRGKRZSA-N 0 3 385.486 0.635 20 0 GCADHN Cc1c(NC(=O)C(=O)N(C)CCN2CCCC2)cccc1S(=O)(=O)N(C)C ZINC000453707045 1197124086 /nfs/dbraw/zinc/12/40/86/1197124086.db2.gz KMIJFVHZYCSDAG-UHFFFAOYSA-N 0 3 396.513 0.738 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000532196872 1197125104 /nfs/dbraw/zinc/12/51/04/1197125104.db2.gz VKVKZTMGZMWXAB-FGTMMUONSA-N 0 3 398.573 0.982 20 0 GCADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)CC1 ZINC000453739420 1197127811 /nfs/dbraw/zinc/12/78/11/1197127811.db2.gz DEPRZKUGTYQDJT-HUUCEWRRSA-N 0 3 397.859 0.316 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)n1 ZINC000453746878 1197128370 /nfs/dbraw/zinc/12/83/70/1197128370.db2.gz LRPVHJOBKSYCGE-UHFFFAOYSA-N 0 3 379.505 1.405 20 0 GCADHN Cn1nc(C2CCCC2)cc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453811014 1197134660 /nfs/dbraw/zinc/13/46/60/1197134660.db2.gz ZIUQKIMSZMBOSF-HNNXBMFYSA-N 0 3 377.489 0.979 20 0 GCADHN CCN(CC)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cn1 ZINC000453803188 1197138033 /nfs/dbraw/zinc/13/80/33/1197138033.db2.gz FTAOAMPYWWHGQG-MRXNPFEDSA-N 0 3 377.489 0.829 20 0 GCADHN CCN(CC)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cn1 ZINC000453803186 1197138131 /nfs/dbraw/zinc/13/81/31/1197138131.db2.gz FTAOAMPYWWHGQG-INIZCTEOSA-N 0 3 377.489 0.829 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000453807046 1197138842 /nfs/dbraw/zinc/13/88/42/1197138842.db2.gz OJSWDXNRTVFFNL-NSHDSACASA-N 0 3 383.832 0.970 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000453806458 1197138984 /nfs/dbraw/zinc/13/89/84/1197138984.db2.gz NFSUHYVHCFPCRH-KRWDZBQOSA-N 0 3 388.468 0.715 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)nn1-c1ccc(C)cc1 ZINC000453805896 1197139012 /nfs/dbraw/zinc/13/90/12/1197139012.db2.gz MLOIKCQTBGWAEV-SFHVURJKSA-N 0 3 399.495 1.391 20 0 GCADHN COC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000453805410 1197139041 /nfs/dbraw/zinc/13/90/41/1197139041.db2.gz KYKNOUCSLASPQE-ZDUSSCGKSA-N 0 3 381.404 0.514 20 0 GCADHN COc1cc(F)c(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cc1OC ZINC000453807108 1197139143 /nfs/dbraw/zinc/13/91/43/1197139143.db2.gz OWNQZDHVXIYYKZ-LBPRGKRZSA-N 0 3 383.420 0.744 20 0 GCADHN CN(C)c1nc2cc(NC(=O)C(=O)NC[C@@H]3CCCN3CCCO)ccc2o1 ZINC000453807669 1197139416 /nfs/dbraw/zinc/13/94/16/1197139416.db2.gz PNIJCXRMVPURGG-AWEZNQCLSA-N 0 3 389.456 0.795 20 0 GCADHN CCOc1ccc(OC)cc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453808724 1197139451 /nfs/dbraw/zinc/13/94/51/1197139451.db2.gz SKIRBWCARKWYSU-CQSZACIVSA-N 0 3 379.457 0.995 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000375550161 1197146636 /nfs/dbraw/zinc/14/66/36/1197146636.db2.gz ZYRYBRSTSOFXQP-BRWVUGGUSA-N 0 3 382.505 0.234 20 0 GCADHN CCN1CCN(CCCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000041443711 1197150072 /nfs/dbraw/zinc/15/00/72/1197150072.db2.gz FILFMHMCODFFSB-UHFFFAOYSA-N 0 3 379.505 0.385 20 0 GCADHN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCC[C@H](CCC(N)=O)C1 ZINC000170736103 1197154640 /nfs/dbraw/zinc/15/46/40/1197154640.db2.gz HZVXBBQKWQHZCG-JKSUJKDBSA-N 0 3 390.484 0.930 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)C(C)(C)C)CC1 ZINC000360093425 1197155925 /nfs/dbraw/zinc/15/59/25/1197155925.db2.gz RHWRRPZIJMJKRA-CQSZACIVSA-N 0 3 388.534 0.148 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3nccnc3c2)CC1 ZINC000360079406 1197155965 /nfs/dbraw/zinc/15/59/65/1197155965.db2.gz NKLACQCKQDURNK-KRWDZBQOSA-N 0 3 396.451 0.333 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(OCCC(N)=O)cc1 ZINC000666042755 1197161229 /nfs/dbraw/zinc/16/12/29/1197161229.db2.gz SQHVJFOBLKKGGL-UHFFFAOYSA-N 0 3 379.461 0.425 20 0 GCADHN O=C(CCc1cn[nH]n1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]2C1 ZINC000986325416 1197165744 /nfs/dbraw/zinc/16/57/44/1197165744.db2.gz QBYYCRWFTYOPSF-OCVGTWLNSA-N 0 3 383.456 0.571 20 0 GCADHN NS(=O)(=O)c1cc(F)cc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000666052784 1197172424 /nfs/dbraw/zinc/17/24/24/1197172424.db2.gz ZUSDZOCDEVJKEN-CQSZACIVSA-N 0 3 386.449 0.848 20 0 GCADHN Cc1cc(S(C)(=O)=O)cc(NC(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1C ZINC000453921167 1197173957 /nfs/dbraw/zinc/17/39/57/1197173957.db2.gz SJDXRAUQGDHWIM-CJNGLKHVSA-N 0 3 379.482 0.808 20 0 GCADHN O=C(CN1CC[C@@H](CN2CCOCC2)C1)N1CCN(Cc2ccco2)CC1 ZINC000172939278 1197174925 /nfs/dbraw/zinc/17/49/25/1197174925.db2.gz ZWFWNSJYIZSOCO-SFHVURJKSA-N 0 3 376.501 0.578 20 0 GCADHN CCN1CCO[C@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000174744543 1197181932 /nfs/dbraw/zinc/18/19/32/1197181932.db2.gz NQDSTITULKOZLK-IBGZPJMESA-N 0 3 388.512 0.849 20 0 GCADHN CC(C)n1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000174698169 1197182026 /nfs/dbraw/zinc/18/20/26/1197182026.db2.gz PJLHSPZKIWFRRK-JKSUJKDBSA-N 0 3 376.505 0.975 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000175916523 1197185360 /nfs/dbraw/zinc/18/53/60/1197185360.db2.gz YMWAMRFJVWNEQI-LJQANCHMSA-N 0 3 385.512 0.739 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000175803798 1197186005 /nfs/dbraw/zinc/18/60/05/1197186005.db2.gz CUVSMPVJORJOBL-SFHVURJKSA-N 0 3 389.548 0.972 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@]3(CCOC3)C2)CC1 ZINC000176294278 1197186447 /nfs/dbraw/zinc/18/64/47/1197186447.db2.gz NPEGNDMBWJVHRT-LJQANCHMSA-N 0 3 385.472 0.124 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)C[C@@H]21 ZINC000453923683 1197187087 /nfs/dbraw/zinc/18/70/87/1197187087.db2.gz IHZXDCUAFCVHNV-AEFFLSMTSA-N 0 3 399.495 0.175 20 0 GCADHN CC(=O)NC[C@@H]1CN(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCO1 ZINC000666152957 1197226217 /nfs/dbraw/zinc/22/62/17/1197226217.db2.gz LRXXLIULIGSYBX-LJQANCHMSA-N 0 3 389.500 0.840 20 0 GCADHN C[C@@H](Cc1ccc(Cl)cc1)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001168165409 1197227591 /nfs/dbraw/zinc/22/75/91/1197227591.db2.gz CQDYLTAFKXQFAI-WFASDCNBSA-N 0 3 380.876 0.453 20 0 GCADHN CCN1CCN(Cc2ccccc2CN2C(=O)[C@H]3CNC(=O)CN3C2=O)CC1 ZINC000348477730 1197234624 /nfs/dbraw/zinc/23/46/24/1197234624.db2.gz MJKPUKJACRKALU-QGZVFWFLSA-N 0 3 385.468 0.087 20 0 GCADHN CCn1cc([C@H]2CN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)CCO2)cn1 ZINC000189288286 1197235487 /nfs/dbraw/zinc/23/54/87/1197235487.db2.gz KKUNICXLHUPZIN-SJLPKXTDSA-N 0 3 378.521 0.869 20 0 GCADHN CCN1CCO[C@@H](CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)[C@@H]1c1cnn(C)c1 ZINC000666233192 1197248391 /nfs/dbraw/zinc/24/83/91/1197248391.db2.gz KNCAISUJBRUTPC-NQYYFHDYSA-N 0 3 390.532 0.918 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(OCc4ncnn4C)cc3)C[C@@H]2C1 ZINC000192915620 1197248822 /nfs/dbraw/zinc/24/88/22/1197248822.db2.gz JIHOXQFRKAIOTM-OKILXGFUSA-N 0 3 377.470 0.576 20 0 GCADHN Cn1cc(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1C(N)=O ZINC000192988222 1197249281 /nfs/dbraw/zinc/24/92/81/1197249281.db2.gz OLUCQHVWDXANKW-OAHLLOKOSA-N 0 3 376.482 0.924 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000103325728 1197271432 /nfs/dbraw/zinc/27/14/32/1197271432.db2.gz AZQOTAXDCCYVFC-UHFFFAOYSA-N 0 3 380.395 0.670 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000103325772 1197271616 /nfs/dbraw/zinc/27/16/16/1197271616.db2.gz YDSVXRRJKHNUKM-UHFFFAOYSA-N 0 3 380.395 0.670 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCc3ccc(O)cc3C2)CC1 ZINC000671172661 1197275706 /nfs/dbraw/zinc/27/57/06/1197275706.db2.gz IFSQPURWHFXZPX-INIZCTEOSA-N 0 3 388.512 0.667 20 0 GCADHN O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000643470481 1197277340 /nfs/dbraw/zinc/27/73/40/1197277340.db2.gz IQYBBLFJCCAQOU-SFHVURJKSA-N 0 3 399.495 0.157 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001075899852 1197314843 /nfs/dbraw/zinc/31/48/43/1197314843.db2.gz RXKGBHGESOOMIY-DLTWYDFYSA-N 0 3 378.473 0.276 20 0 GCADHN CC[C@@H](O)[C@@H](CC)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000454048231 1197319429 /nfs/dbraw/zinc/31/94/29/1197319429.db2.gz NUGFJFYRIKCUFT-UKRRQHHQSA-N 0 3 392.456 0.760 20 0 GCADHN COc1ccc2c(c1)CCCN(CCn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC000532537480 1197323097 /nfs/dbraw/zinc/32/30/97/1197323097.db2.gz RKVKGKDBMOHXQO-UHFFFAOYSA-N 0 3 383.452 0.891 20 0 GCADHN CCC(CC)N1C[C@@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1=O ZINC000106765575 1197327934 /nfs/dbraw/zinc/32/79/34/1197327934.db2.gz LHFYFEDXQMLULM-WMLDXEAASA-N 0 3 378.517 0.964 20 0 GCADHN CNC(=O)[C@@H]1CCCN([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000532559118 1197328133 /nfs/dbraw/zinc/32/81/33/1197328133.db2.gz SPMFUWNBONMOEB-GDBMZVCRSA-N 0 3 375.469 0.963 20 0 GCADHN CNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000532559143 1197328219 /nfs/dbraw/zinc/32/82/19/1197328219.db2.gz SPMFUWNBONMOEB-GOEBONIOSA-N 0 3 375.469 0.963 20 0 GCADHN CCN1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000897441048 1197330856 /nfs/dbraw/zinc/33/08/56/1197330856.db2.gz OLVWKRANCHQMGS-QGZVFWFLSA-N 0 3 388.516 0.050 20 0 GCADHN COc1ccc(-c2nnc(CNC(=O)N[C@H](C)CN3CCN(C)CC3)[nH]2)cc1 ZINC000111860747 1197333124 /nfs/dbraw/zinc/33/31/24/1197333124.db2.gz NUADRKOTPWEQOH-CQSZACIVSA-N 0 3 387.488 0.915 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000729612438 1197333551 /nfs/dbraw/zinc/33/35/51/1197333551.db2.gz WUYMNZPABHYBMJ-JKSUJKDBSA-N 0 3 382.505 0.724 20 0 GCADHN CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000897453193 1197333722 /nfs/dbraw/zinc/33/37/22/1197333722.db2.gz FUJKRBBLFLLCRV-OALUTQOASA-N 0 3 389.496 0.813 20 0 GCADHN NS(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000114694365 1197336638 /nfs/dbraw/zinc/33/66/38/1197336638.db2.gz FOZPRAMWQPIILW-QGZVFWFLSA-N 0 3 380.514 0.683 20 0 GCADHN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000120479381 1197341794 /nfs/dbraw/zinc/34/17/94/1197341794.db2.gz TYKNZGWFBLFAOP-HUUCEWRRSA-N 0 3 375.477 0.369 20 0 GCADHN C[C@H](NC(=O)c1cccs1)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000120883175 1197342442 /nfs/dbraw/zinc/34/24/42/1197342442.db2.gz RIFNQMYSRLYFDR-GXTWGEPZSA-N 0 3 378.498 0.807 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@]12CCCO2 ZINC000332844354 1197344725 /nfs/dbraw/zinc/34/47/25/1197344725.db2.gz FBKFMCBAFJOMQX-AXVVYFOYSA-N 0 3 394.516 0.661 20 0 GCADHN C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nnc2n1CCCC2 ZINC000121306811 1197346056 /nfs/dbraw/zinc/34/60/56/1197346056.db2.gz VKJRTIQOSCVGMI-CABCVRRESA-N 0 3 389.504 0.623 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(C)[C@H](c2nccn2C)C1)CN1CCN(C)CC1 ZINC000332951914 1197347935 /nfs/dbraw/zinc/34/79/35/1197347935.db2.gz CEBVBXKLXUWSTE-IRXDYDNUSA-N 0 3 377.537 0.302 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(C)[C@H](c3nccn3C)C2)CC1 ZINC000332955977 1197348053 /nfs/dbraw/zinc/34/80/53/1197348053.db2.gz KPWPBXGHUPJALK-ROUUACIJSA-N 0 3 391.564 0.692 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000332970578 1197348673 /nfs/dbraw/zinc/34/86/73/1197348673.db2.gz AYWAXBMFEZDCDG-ZWKOTPCHSA-N 0 3 395.548 0.291 20 0 GCADHN COCC(=O)N1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000124629553 1197353113 /nfs/dbraw/zinc/35/31/13/1197353113.db2.gz WVKMHEGAQXPYIJ-IEBWSBKVSA-N 0 3 388.512 0.556 20 0 GCADHN COCC(=O)N1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000124629350 1197353424 /nfs/dbraw/zinc/35/34/24/1197353424.db2.gz WVKMHEGAQXPYIJ-PKOBYXMFSA-N 0 3 388.512 0.556 20 0 GCADHN CNC(=O)CCN(C)c1nnc(C(=O)NC(C)C)n1CCN1CCC[C@H]1C ZINC001299200056 1197362381 /nfs/dbraw/zinc/36/23/81/1197362381.db2.gz PGSBLFPYTGPIDB-CQSZACIVSA-N 0 3 379.509 0.473 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000128594303 1197364058 /nfs/dbraw/zinc/36/40/58/1197364058.db2.gz YTFPNTKFVPZBMV-QZTJIDSGSA-N 0 3 377.537 0.973 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N(C)CCc2ccc3c(c2)OCO3)CCSC1 ZINC000897474864 1197365436 /nfs/dbraw/zinc/36/54/36/1197365436.db2.gz DHPMTJJAZOVTQC-LJQANCHMSA-N 0 3 393.509 0.970 20 0 GCADHN O=C(CN1CC[C@H](CN2CCOCC2)C1)NCCCN1CCCCCC1=O ZINC000129401877 1197366672 /nfs/dbraw/zinc/36/66/72/1197366672.db2.gz NJOZWAVQCFQNHO-GOSISDBHSA-N 0 3 380.533 0.549 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001719919430 1197367182 /nfs/dbraw/zinc/36/71/82/1197367182.db2.gz QLDNENZZHVLCGS-UYTYNIKBSA-N 0 3 380.533 0.981 20 0 GCADHN CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1noc2c1COCC2 ZINC001719919962 1197367514 /nfs/dbraw/zinc/36/75/14/1197367514.db2.gz VMJIRLDZSBQQMH-YUELXQCFSA-N 0 3 376.457 0.951 20 0 GCADHN COc1ccc(CN(CCO)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000897475609 1197369470 /nfs/dbraw/zinc/36/94/70/1197369470.db2.gz XNEQNOMLAQWYNL-IBGZPJMESA-N 0 3 395.525 0.570 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000666692022 1197375432 /nfs/dbraw/zinc/37/54/32/1197375432.db2.gz SPHNSHUWLNSSDR-QGZVFWFLSA-N 0 3 388.468 0.430 20 0 GCADHN CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CN=NC1=O)CC(C)(C)C ZINC001719934870 1197376395 /nfs/dbraw/zinc/37/63/95/1197376395.db2.gz SEHVGKJVJQLLCF-MCIONIFRSA-N 0 3 378.477 0.210 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NCCN2CCCS2(=O)=O)CN1Cc1ccccc1 ZINC000131487753 1197377491 /nfs/dbraw/zinc/37/74/91/1197377491.db2.gz RVLHMEQTFJYZLA-WBVHZDCISA-N 0 3 380.514 0.984 20 0 GCADHN CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)NCC1CC1)CC(C)(C)C ZINC001719940096 1197378777 /nfs/dbraw/zinc/37/87/77/1197378777.db2.gz XXSOLOGQCWQJFM-OAGGEKHMSA-N 0 3 378.517 0.739 20 0 GCADHN O=C(CCN[C@@]1(CO)CCc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000132357154 1197380161 /nfs/dbraw/zinc/38/01/61/1197380161.db2.gz UXTOCHKUCNPLEQ-OAQYLSRUSA-N 0 3 381.480 0.939 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000841710610 1197380581 /nfs/dbraw/zinc/38/05/81/1197380581.db2.gz FIHCHWBRPZDJSE-HUUCEWRRSA-N 0 3 397.520 0.896 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000132618959 1197380635 /nfs/dbraw/zinc/38/06/35/1197380635.db2.gz QFNWSGFDGNYYAA-QGZVFWFLSA-N 0 3 382.530 0.373 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000050798503 1197381349 /nfs/dbraw/zinc/38/13/49/1197381349.db2.gz PDRQWVHLGJZUJE-UHFFFAOYSA-N 0 3 384.502 0.476 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](CO)CN(C)C)C2)cc1 ZINC000614853688 1197388480 /nfs/dbraw/zinc/38/84/80/1197388480.db2.gz GSPKALOPYXWKRZ-CVEARBPZSA-N 0 3 383.514 0.434 20 0 GCADHN C[C@H](Sc1ncccc1C(=O)N[C@@H](CO)CN(C)C)C(=O)N1CCCC1 ZINC000614851429 1197388896 /nfs/dbraw/zinc/38/88/96/1197388896.db2.gz AGCYBFJYICRWNS-UONOGXRCSA-N 0 3 380.514 0.837 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000614858927 1197390331 /nfs/dbraw/zinc/39/03/31/1197390331.db2.gz MLECTENZBWSBIT-RKVPGOIHSA-N 0 3 381.473 0.755 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](c3nc(N(C)C)no3)C2)CC1=O ZINC000194479562 1197398930 /nfs/dbraw/zinc/39/89/30/1197398930.db2.gz ZPHVKVYBXHXIPW-UONOGXRCSA-N 0 3 378.477 0.252 20 0 GCADHN OC(CN1CCCN(CC(F)F)CC1)CN1CCCN(CC(F)F)CC1 ZINC000194747718 1197399651 /nfs/dbraw/zinc/39/96/51/1197399651.db2.gz WMSPCQYCFNPBDJ-UHFFFAOYSA-N 0 3 384.462 0.893 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H]([C@H]3CCCO3)C2)CC1 ZINC000897495177 1197402427 /nfs/dbraw/zinc/40/24/27/1197402427.db2.gz XGDPLGXLAALRHW-FGTMMUONSA-N 0 3 380.533 0.404 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCC1(C2(O)CCC2)CCC1)CN1CCN(C)CC1 ZINC000897494097 1197402514 /nfs/dbraw/zinc/40/25/14/1197402514.db2.gz KZQALYQSGWHNPZ-INIZCTEOSA-N 0 3 380.533 0.188 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC2(C3(O)CCC3)CCC2)CC1 ZINC000897495127 1197402644 /nfs/dbraw/zinc/40/26/44/1197402644.db2.gz WBMFXRKKSYQYCI-QGZVFWFLSA-N 0 3 394.560 0.578 20 0 GCADHN COc1ccc(NC(=O)COC2CNC2)cc1S(=O)(=O)N1CCCCC1 ZINC000429736867 1197404059 /nfs/dbraw/zinc/40/40/59/1197404059.db2.gz QKZCXNONJRDVKY-UHFFFAOYSA-N 0 3 383.470 0.797 20 0 GCADHN COC[C@H](CNC(=O)[C@H]1CCN1C(C)(C)C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000897499532 1197413379 /nfs/dbraw/zinc/41/33/79/1197413379.db2.gz IULKDRSJKDDPHJ-ARFHVFGLSA-N 0 3 382.549 0.979 20 0 GCADHN C[C@@]1(n2cc(CN[C@@H]3CCCN(c4cccnn4)C3)cn2)CCS(=O)(=O)C1 ZINC000532866270 1197417572 /nfs/dbraw/zinc/41/75/72/1197417572.db2.gz GSBDXSSCDCPLES-SJLPKXTDSA-N 0 3 390.513 0.965 20 0 GCADHN C[C@]1(n2cc(CNC[C@H]3CCCN3c3cccnn3)cn2)CCS(=O)(=O)C1 ZINC000532866152 1197418328 /nfs/dbraw/zinc/41/83/28/1197418328.db2.gz XSKGDKVHPBCZGE-AEFFLSMTSA-N 0 3 390.513 0.965 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@@](COC)(C(=O)OC)C2)CC1 ZINC000454603034 1197422764 /nfs/dbraw/zinc/42/27/64/1197422764.db2.gz AKTSXIZTTJDLAG-QFBILLFUSA-N 0 3 384.521 0.481 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000454639490 1197423859 /nfs/dbraw/zinc/42/38/59/1197423859.db2.gz CDRREYHLDRQRAC-OAGGEKHMSA-N 0 3 379.505 0.382 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000532995040 1197425259 /nfs/dbraw/zinc/42/52/59/1197425259.db2.gz MWVIXYJKLHMAHA-AWEZNQCLSA-N 0 3 390.440 0.347 20 0 GCADHN O=C(Nc1ccnn1C[C@@H]1CCOC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000532998537 1197425719 /nfs/dbraw/zinc/42/57/19/1197425719.db2.gz UDHWEIDKIPNWBI-HOTGVXAUSA-N 0 3 375.473 0.945 20 0 GCADHN C[C@H]1[C@@H](NC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)CCCN1C ZINC000454782500 1197431908 /nfs/dbraw/zinc/43/19/08/1197431908.db2.gz KMUIHKLNUJECDY-YOEHRIQHSA-N 0 3 397.545 0.894 20 0 GCADHN O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245819459 1197432901 /nfs/dbraw/zinc/43/29/01/1197432901.db2.gz DQIZCWQMJDIFJF-PMACEKPBSA-N 0 3 392.463 0.956 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)ccc1F ZINC000130260505 1197444967 /nfs/dbraw/zinc/44/49/67/1197444967.db2.gz DHQYIEPHSGGLAV-UHFFFAOYSA-N 0 3 380.464 0.579 20 0 GCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000897513160 1197445582 /nfs/dbraw/zinc/44/55/82/1197445582.db2.gz JZIHXNCUGFMBAR-FGTMMUONSA-N 0 3 386.496 0.497 20 0 GCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000897513161 1197445651 /nfs/dbraw/zinc/44/56/51/1197445651.db2.gz JZIHXNCUGFMBAR-OKZBNKHCSA-N 0 3 386.496 0.497 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)n(C)c1C ZINC000897514099 1197447498 /nfs/dbraw/zinc/44/74/98/1197447498.db2.gz WTHNMHOBQKCBFO-CYBMUJFWSA-N 0 3 378.473 0.727 20 0 GCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000897514282 1197447589 /nfs/dbraw/zinc/44/75/89/1197447589.db2.gz YJXQVJNMUSEQMJ-QZTJIDSGSA-N 0 3 386.496 0.403 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCOc2ncccc2F)CC1 ZINC000533465478 1197453346 /nfs/dbraw/zinc/45/33/46/1197453346.db2.gz XHLRAIRBQZKHQM-UHFFFAOYSA-N 0 3 379.436 0.549 20 0 GCADHN COc1ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c(OC)c1 ZINC001211998500 1197465967 /nfs/dbraw/zinc/46/59/67/1197465967.db2.gz RYPUZHJLOYZEHV-JOYOIKCWSA-N 0 3 377.401 0.004 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(C(F)(F)F)cn2)no1)C(N)=O ZINC001211998695 1197466227 /nfs/dbraw/zinc/46/62/27/1197466227.db2.gz WTTRWPSKNNJOOU-IONNQARKSA-N 0 3 386.334 0.400 20 0 GCADHN COc1ccc(Cl)cc1-c1noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001211998673 1197466349 /nfs/dbraw/zinc/46/63/49/1197466349.db2.gz WDPRZVMBWFUTRP-GZMMTYOYSA-N 0 3 381.820 0.649 20 0 GCADHN O=C(CN1CCC[C@@H](CN2CCOCC2)C1)N1CCN(Cc2ccco2)CC1 ZINC000069804468 1197469174 /nfs/dbraw/zinc/46/91/74/1197469174.db2.gz LLWNYEJFRGBHPL-IBGZPJMESA-N 0 3 390.528 0.968 20 0 GCADHN COc1ccncc1-c1noc([C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)n1 ZINC001212000530 1197469890 /nfs/dbraw/zinc/46/98/90/1197469890.db2.gz LGNSVDDEOVUWHJ-GJZGRUSLSA-N 0 3 399.407 0.565 20 0 GCADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)c1nc(-c2cc(F)c(F)c(F)c2F)no1 ZINC001212020472 1197474455 /nfs/dbraw/zinc/47/44/55/1197474455.db2.gz JUFLXDVVFVOSGZ-FFWSUHOLSA-N 0 3 375.282 0.673 20 0 GCADHN COc1ccc(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)c(Cl)c1OC ZINC001212020670 1197474643 /nfs/dbraw/zinc/47/46/43/1197474643.db2.gz SVZPUSYLOVQNHO-CBAPKCEASA-N 0 3 397.819 0.787 20 0 GCADHN Cc1cc(Br)cnc1-c1noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n1 ZINC001212022639 1197475081 /nfs/dbraw/zinc/47/50/81/1197475081.db2.gz ABQQTHKFPAUHRG-CBAPKCEASA-N 0 3 397.233 0.582 20 0 GCADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)c1nc(-c2cccc(C3OCCO3)c2)no1 ZINC001212023213 1197475582 /nfs/dbraw/zinc/47/55/82/1197475582.db2.gz VKPVYMFPZUWIBH-CABZTGNLSA-N 0 3 375.385 0.162 20 0 GCADHN COCCN(CC(=O)N1CCCN(Cc2ccccc2C)CC1)[C@H](C)C(N)=O ZINC000247868079 1197477409 /nfs/dbraw/zinc/47/74/09/1197477409.db2.gz XATARMGJWLDHEX-GOSISDBHSA-N 0 3 390.528 0.852 20 0 GCADHN CN1CC[C@H](NC(=O)NC[C@@](C)(O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000247911637 1197477593 /nfs/dbraw/zinc/47/75/93/1197477593.db2.gz AJABIKWWGVTVRG-CMKODMSKSA-N 0 3 376.501 0.814 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)COCc2ccccc2F)CC1 ZINC000248186651 1197478420 /nfs/dbraw/zinc/47/84/20/1197478420.db2.gz XLEQBROTBCDQEX-IEBWSBKVSA-N 0 3 379.476 0.942 20 0 GCADHN CCOC(=O)c1cccc(OC[C@@H](O)CN2CCN(CCO)C(C)(C)C2)c1 ZINC000614920611 1197487508 /nfs/dbraw/zinc/48/75/08/1197487508.db2.gz LTUOPDPATSCPKJ-KRWDZBQOSA-N 0 3 380.485 0.992 20 0 GCADHN Cc1ccsc1CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001482769534 1197489125 /nfs/dbraw/zinc/48/91/25/1197489125.db2.gz HHRIWAXJOFPYCT-TUVASFSCSA-N 0 3 381.498 0.307 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)CC1 ZINC000897529172 1197492411 /nfs/dbraw/zinc/49/24/11/1197492411.db2.gz HDMWHLZBDHPJPD-QOKNQOGYSA-N 0 3 383.489 0.056 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2c(C)oc3ncn(C)c(=O)c32)CC1 ZINC000171318315 1197495169 /nfs/dbraw/zinc/49/51/69/1197495169.db2.gz OKQPPXHQIWBUSQ-ZDUSSCGKSA-N 0 3 375.473 0.838 20 0 GCADHN COCCCN(C(=O)CCn1cnc2c1ncnc2N)C1CCN(C)CC1 ZINC000615047883 1197500163 /nfs/dbraw/zinc/50/01/63/1197500163.db2.gz WDGGOHXWTOFNRW-UHFFFAOYSA-N 0 3 375.477 0.758 20 0 GCADHN COCCCN(C(=O)CNS(=O)(=O)c1ccccc1N)C1CCN(C)CC1 ZINC000615048254 1197500195 /nfs/dbraw/zinc/50/01/95/1197500195.db2.gz XDWACYWIZLTMQG-UHFFFAOYSA-N 0 3 398.529 0.506 20 0 GCADHN Cn1ncc2ccc(-c3noc([C@@H]4CCCN4C(=O)[C@@H](N)CCC(N)=O)n3)cc21 ZINC001212076467 1197501652 /nfs/dbraw/zinc/50/16/52/1197501652.db2.gz DKHLRDGOMUOOMU-KBPBESRZSA-N 0 3 397.439 0.880 20 0 GCADHN NC(=O)CC[C@H](N)C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccnn32)no1 ZINC001212076818 1197502147 /nfs/dbraw/zinc/50/21/47/1197502147.db2.gz VCEWRIBUXHXQLX-JSGCOSHPSA-N 0 3 383.412 0.641 20 0 GCADHN COCCOc1ncccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000116621385 1197509077 /nfs/dbraw/zinc/50/90/77/1197509077.db2.gz DZHYCPSASQUSRD-MRXNPFEDSA-N 0 3 378.473 0.779 20 0 GCADHN CCOc1ccc(OCCNC(=O)CN2CCNC[C@@H]2c2nccn2C)cc1 ZINC000261677336 1197511579 /nfs/dbraw/zinc/51/15/79/1197511579.db2.gz CRVRXYAPLZPYCG-GOSISDBHSA-N 0 3 387.484 0.960 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000261742367 1197513084 /nfs/dbraw/zinc/51/30/84/1197513084.db2.gz KVXSDVJSZMTLCO-GOSISDBHSA-N 0 3 396.495 0.575 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000261743858 1197513097 /nfs/dbraw/zinc/51/30/97/1197513097.db2.gz KYMQXCULVOPWEM-QGZVFWFLSA-N 0 3 388.541 0.772 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000261836266 1197516506 /nfs/dbraw/zinc/51/65/06/1197516506.db2.gz WCKGXQZQQCZKKV-SFHVURJKSA-N 0 3 386.475 0.854 20 0 GCADHN Cc1cccc(NC(=O)CN2CCN(CCC(=O)N3CCNCC3)CC2)c1C ZINC000262009464 1197522165 /nfs/dbraw/zinc/52/21/65/1197522165.db2.gz FHNCTGCIJYPWES-UHFFFAOYSA-N 0 3 387.528 0.681 20 0 GCADHN O=C(CCN1CCN(C(=O)c2ccccc2OC(F)F)CC1)N1CCNCC1 ZINC000262126201 1197525970 /nfs/dbraw/zinc/52/59/70/1197525970.db2.gz NQGSEIXWWKVRAG-UHFFFAOYSA-N 0 3 396.438 0.868 20 0 GCADHN O=C(CCN1CCN(C(=O)COc2ccc(Cl)cc2)CC1)N1CCNCC1 ZINC000262182097 1197526925 /nfs/dbraw/zinc/52/69/25/1197526925.db2.gz RBHQNHSSAYVXFK-UHFFFAOYSA-N 0 3 394.903 0.685 20 0 GCADHN CCO[C@H](C)c1noc(CN2CCN(CCC(=O)N3CCNCC3)CC2)n1 ZINC000262235285 1197527370 /nfs/dbraw/zinc/52/73/70/1197527370.db2.gz VTFQNLURYSVHCX-OAHLLOKOSA-N 0 3 380.493 0.107 20 0 GCADHN COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262200589 1197528780 /nfs/dbraw/zinc/52/87/80/1197528780.db2.gz SGTTVEDMQNPJHP-WBVHZDCISA-N 0 3 392.431 0.607 20 0 GCADHN COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262200587 1197528831 /nfs/dbraw/zinc/52/88/31/1197528831.db2.gz SGTTVEDMQNPJHP-RDJZCZTQSA-N 0 3 392.431 0.607 20 0 GCADHN CCN1CCN(CCC(=O)N(CCN2CCOCC2)[C@H]2CCSC2)CC1 ZINC000615097894 1197530999 /nfs/dbraw/zinc/53/09/99/1197530999.db2.gz KYXCYOHZIGSFFZ-SFHVURJKSA-N 0 3 384.590 0.680 20 0 GCADHN Cn1c2c(ccn2CC(=O)NC[C@H]2NCCc3ccccc32)c(=O)n(C)c1=O ZINC000262425688 1197531169 /nfs/dbraw/zinc/53/11/69/1197531169.db2.gz SHSVTRYJLGYZGL-MRXNPFEDSA-N 0 3 381.436 0.042 20 0 GCADHN C[C@H](NCCNS(=O)(=O)Cc1ccon1)c1ccc(-n2cnnn2)cc1 ZINC000162417965 1197533525 /nfs/dbraw/zinc/53/35/25/1197533525.db2.gz KEJBHZQZHDOCIX-LBPRGKRZSA-N 0 3 377.430 0.421 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000428585517 1197548439 /nfs/dbraw/zinc/54/84/39/1197548439.db2.gz ZCNMCCNQOQLLFQ-QGZVFWFLSA-N 0 3 397.545 0.783 20 0 GCADHN CCN1CCCN([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000265799947 1197548741 /nfs/dbraw/zinc/54/87/41/1197548741.db2.gz BOCXLFGVEXCIIE-HUUCEWRRSA-N 0 3 382.530 0.927 20 0 GCADHN CO[C@H](C)c1noc(CCC(=O)N[C@H](C)C(=O)NCCN2CCCCC2)n1 ZINC000508691016 1197550274 /nfs/dbraw/zinc/55/02/74/1197550274.db2.gz UUVMNKXMNRNDQC-ZIAGYGMSSA-N 0 3 381.477 0.816 20 0 GCADHN C[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)NCCN1CCCCC1 ZINC000508696478 1197551087 /nfs/dbraw/zinc/55/10/87/1197551087.db2.gz UQAZXDIXAPRHGU-CYBMUJFWSA-N 0 3 396.438 0.801 20 0 GCADHN C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)NCCN1CCCCC1 ZINC000508704905 1197554891 /nfs/dbraw/zinc/55/48/91/1197554891.db2.gz XZBOPXHWWMUVFP-OAHLLOKOSA-N 0 3 385.468 0.503 20 0 GCADHN CCC(CC)[C@@H](C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)N1CCOCC1 ZINC000428615237 1197554965 /nfs/dbraw/zinc/55/49/65/1197554965.db2.gz XZJGNKDSLMFLFA-OALUTQOASA-N 0 3 394.560 0.794 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000455670117 1197563986 /nfs/dbraw/zinc/56/39/86/1197563986.db2.gz QCDKSALPDXFOTL-KRWDZBQOSA-N 0 3 382.534 0.774 20 0 GCADHN O=C(NCCNC(=O)c1ccn[nH]1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000508731097 1197567526 /nfs/dbraw/zinc/56/75/26/1197567526.db2.gz QVQVVEQRYTXJSD-LJQANCHMSA-N 0 3 386.456 0.076 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000428670249 1197570438 /nfs/dbraw/zinc/57/04/38/1197570438.db2.gz CFTJHWAUBNKCQI-QGZVFWFLSA-N 0 3 397.545 0.955 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCc1ccc(CO)c(F)c1 ZINC000533862220 1197573620 /nfs/dbraw/zinc/57/36/20/1197573620.db2.gz HBBKUWKKSLBHRL-UHFFFAOYSA-N 0 3 382.480 0.507 20 0 GCADHN C[C@H]1NC(=O)N(CCN2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000459466830 1197581383 /nfs/dbraw/zinc/58/13/83/1197581383.db2.gz KFGNIAWBTWUSSZ-BZUAXINKSA-N 0 3 382.505 0.517 20 0 GCADHN Cn1ncc2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@@H]3CCCN3C)cnc21 ZINC000999729142 1198966759 /nfs/dbraw/zinc/96/67/59/1198966759.db2.gz HIWBNFUOIRBNLC-QZWWFDLISA-N 0 3 382.468 0.924 20 0 GCADHN COCCN1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC2(CCOCC2)C1 ZINC001089947694 1199007854 /nfs/dbraw/zinc/00/78/54/1199007854.db2.gz MZVHCJRDWGZEEG-XLAORIBOSA-N 0 3 382.501 0.672 20 0 GCADHN NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000265724001 1199030081 /nfs/dbraw/zinc/03/00/81/1199030081.db2.gz ZXJKFYGZHSNHBO-AWEZNQCLSA-N 0 3 398.460 0.498 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)C2)OCC1=O ZINC001272879743 1199052696 /nfs/dbraw/zinc/05/26/96/1199052696.db2.gz UCVVWGHLPNCERE-CABCVRRESA-N 0 3 378.300 0.962 20 0 GCADHN COCCNCc1cccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001128112830 1199053563 /nfs/dbraw/zinc/05/35/63/1199053563.db2.gz OEOQOXPSYLSECI-SGTQZHETSA-N 0 3 386.496 0.936 20 0 GCADHN COCCOC[C@@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000465834654 1199080262 /nfs/dbraw/zinc/08/02/62/1199080262.db2.gz LIZCKIUXOWEEDZ-SJORKVTESA-N 0 3 384.521 0.624 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000465842457 1199080833 /nfs/dbraw/zinc/08/08/33/1199080833.db2.gz MMNIPPUQEMLNQY-QZTJIDSGSA-N 0 3 395.548 0.435 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCCOC1CCOCC1 ZINC000465847833 1199083392 /nfs/dbraw/zinc/08/33/92/1199083392.db2.gz ZMCGBEKNIDLNPB-QGZVFWFLSA-N 0 3 384.521 0.814 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCCOC1CCOCC1 ZINC000465847832 1199083592 /nfs/dbraw/zinc/08/35/92/1199083592.db2.gz ZMCGBEKNIDLNPB-KRWDZBQOSA-N 0 3 384.521 0.814 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000465853545 1199101086 /nfs/dbraw/zinc/10/10/86/1199101086.db2.gz ZPXMRPLHBHBKFK-DNVCBOLYSA-N 0 3 379.505 0.241 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 ZINC000269001011 1199101314 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CO[C@@H]1CN(CCCOc2ccccc2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001212451459 1199227227 /nfs/dbraw/zinc/22/72/27/1199227227.db2.gz XODGSFZBILWLBW-VBSBHUPXSA-N 0 3 391.512 0.990 20 0 GCADHN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)C(=O)NC2CCN(CCO)CC2)cc1 ZINC000672412307 1199230122 /nfs/dbraw/zinc/23/01/22/1199230122.db2.gz SUAFFLHNMHMINV-RBUKOAKNSA-N 0 3 389.496 0.904 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NC1CCN(CCO)CC1 ZINC000672411358 1199230251 /nfs/dbraw/zinc/23/02/51/1199230251.db2.gz BRFFTEHCMLEDPS-QGZVFWFLSA-N 0 3 388.512 0.292 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)C[C@H](O)C(F)(F)F)CC1 ZINC000672442523 1199235006 /nfs/dbraw/zinc/23/50/06/1199235006.db2.gz UHRIJIJWYXEPKD-LBPRGKRZSA-N 0 3 383.411 0.374 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C1=CCN(C)CC1 ZINC000672459805 1199237470 /nfs/dbraw/zinc/23/74/70/1199237470.db2.gz FDKJZDZDSFERAW-HOCLYGCPSA-N 0 3 399.495 0.247 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)Cn1cccn1)C(=O)Cn1cccn1 ZINC000672467360 1199241212 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3 387.528 0.081 20 0 GCADHN C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H](C)C1 ZINC000672629803 1199285740 /nfs/dbraw/zinc/28/57/40/1199285740.db2.gz TYMABIXNGZTULY-IXDOHACOSA-N 0 3 378.517 0.694 20 0 GCADHN CSCC(=O)N1CCn2c(nnc2C(=O)NC2CCN(C)CC2)C[C@H]1C ZINC001272962200 1199308751 /nfs/dbraw/zinc/30/87/51/1199308751.db2.gz GTQWRAIFVFWBHY-GFCCVEGCSA-N 0 3 380.518 0.238 20 0 GCADHN Cc1ncc(S(=O)(=O)NCc2ccc(CN3CCN(C)CC3)cc2)n1C ZINC000624856052 1199311287 /nfs/dbraw/zinc/31/12/87/1199311287.db2.gz JOJXLROPBIYQLP-UHFFFAOYSA-N 0 3 377.514 0.954 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000672694103 1199314887 /nfs/dbraw/zinc/31/48/87/1199314887.db2.gz LOBLOUBVFWRRMG-HNNXBMFYSA-N 0 3 381.521 0.629 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000672694123 1199315236 /nfs/dbraw/zinc/31/52/36/1199315236.db2.gz NBMUDZSGERVMOG-MRXNPFEDSA-N 0 3 377.489 0.618 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672697586 1199316641 /nfs/dbraw/zinc/31/66/41/1199316641.db2.gz ZJUIELXATJTPCT-SJORKVTESA-N 0 3 378.517 0.884 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000672698252 1199318921 /nfs/dbraw/zinc/31/89/21/1199318921.db2.gz NMGROTYNPMALTR-GJZGRUSLSA-N 0 3 390.488 0.022 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000672699684 1199319353 /nfs/dbraw/zinc/31/93/53/1199319353.db2.gz CADCACZEUAXASQ-SJORKVTESA-N 0 3 380.533 0.988 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000672731623 1199323445 /nfs/dbraw/zinc/32/34/45/1199323445.db2.gz UVNSLQUPQAWIDD-QXAKKESOSA-N 0 3 388.512 0.603 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CN(C)CCO1 ZINC000672731624 1199323501 /nfs/dbraw/zinc/32/35/01/1199323501.db2.gz UVNSLQUPQAWIDD-UHOSZYNNSA-N 0 3 388.512 0.603 20 0 GCADHN CC(C)c1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)on1 ZINC000672734674 1199324166 /nfs/dbraw/zinc/32/41/66/1199324166.db2.gz LERDTSAYGBYAEC-INIZCTEOSA-N 0 3 391.472 0.179 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)C1 ZINC000672757191 1199328074 /nfs/dbraw/zinc/32/80/74/1199328074.db2.gz DMWKNPUSPQWIMC-CQSZACIVSA-N 0 3 385.424 0.123 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1csc(N(C)C)n1 ZINC000672808917 1199340008 /nfs/dbraw/zinc/34/00/08/1199340008.db2.gz ZSFJKWAWMBABLG-CQSZACIVSA-N 0 3 383.518 0.395 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1COCCO1)N1CCCCC1 ZINC001002910471 1199340953 /nfs/dbraw/zinc/34/09/53/1199340953.db2.gz RHXKDLAOGBDTAL-NCOADZHNSA-N 0 3 379.501 0.914 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1COC(=O)N1)N1CCCCC1 ZINC001002909689 1199340982 /nfs/dbraw/zinc/34/09/82/1199340982.db2.gz JGLXUSCZAZHYFJ-TUVASFSCSA-N 0 3 378.473 0.607 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC(=O)N1)N1CCCCC1 ZINC001002918378 1199342173 /nfs/dbraw/zinc/34/21/73/1199342173.db2.gz DKWMONFBBSNQBT-QXSJWSMHSA-N 0 3 376.501 0.778 20 0 GCADHN CC(C)N1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001002937635 1199346694 /nfs/dbraw/zinc/34/66/94/1199346694.db2.gz LRXFALQRIQFZAL-LVQVYYBASA-N 0 3 375.477 0.184 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC000466021784 1199364262 /nfs/dbraw/zinc/36/42/62/1199364262.db2.gz YTRYFKUDWIQVTP-RDJZCZTQSA-N 0 3 377.537 0.722 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)ccc1F ZINC000672910698 1199365999 /nfs/dbraw/zinc/36/59/99/1199365999.db2.gz NCIOEIUZHOGVAX-ZDUSSCGKSA-N 0 3 398.460 0.273 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(C(=O)NCCOC)c1 ZINC000672970091 1199379772 /nfs/dbraw/zinc/37/97/72/1199379772.db2.gz ZXBCTBHHBRSJSF-MRXNPFEDSA-N 0 3 390.484 0.992 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c2ccccc2O1 ZINC000066223089 1199391942 /nfs/dbraw/zinc/39/19/42/1199391942.db2.gz YOEUVNVAJXXRJE-RHSMWYFYSA-N 0 3 387.436 0.650 20 0 GCADHN C[C@@H](O)C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000543053675 1199407596 /nfs/dbraw/zinc/40/75/96/1199407596.db2.gz ABHWAGKBIQUNNY-UONOGXRCSA-N 0 3 390.484 0.598 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1C ZINC000265817466 1199414971 /nfs/dbraw/zinc/41/49/71/1199414971.db2.gz MIBBAEVXJHQJQU-CQSZACIVSA-N 0 3 390.484 0.720 20 0 GCADHN C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000673132419 1199436487 /nfs/dbraw/zinc/43/64/87/1199436487.db2.gz UANXOZZZMPFBHJ-RDJZCZTQSA-N 0 3 397.545 0.811 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000466112238 1199448666 /nfs/dbraw/zinc/44/86/66/1199448666.db2.gz KUBNYYUGGIEEKC-QGZVFWFLSA-N 0 3 377.537 0.511 20 0 GCADHN O=C([C@H]1CCS(=O)(=O)N1)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001272981712 1199453885 /nfs/dbraw/zinc/45/38/85/1199453885.db2.gz CZZWXEDANXWHLL-GFCCVEGCSA-N 0 3 383.436 0.945 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)NC1CCN(c2cccs2)CC1 ZINC000673148452 1199455950 /nfs/dbraw/zinc/45/59/50/1199455950.db2.gz XDOJQZQFCGJGGT-UHFFFAOYSA-N 0 3 382.530 0.918 20 0 GCADHN CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001272982295 1199458300 /nfs/dbraw/zinc/45/83/00/1199458300.db2.gz PUIJKHMTTVZVAC-WCXIOVBPSA-N 0 3 387.546 0.806 20 0 GCADHN Cc1ccncc1[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000673188082 1199466136 /nfs/dbraw/zinc/46/61/36/1199466136.db2.gz FXTOIYHNAQJJQP-WBVHZDCISA-N 0 3 387.484 0.332 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2cnccc2C)CC1 ZINC000673195222 1199471823 /nfs/dbraw/zinc/47/18/23/1199471823.db2.gz VXLVUKBQNBEDGM-INIZCTEOSA-N 0 3 389.500 0.580 20 0 GCADHN C[C@@H](CNC(=O)Nc1cnn(CC(=O)NC2CC2)c1)CN1CCN(C)CC1 ZINC000466130126 1199475160 /nfs/dbraw/zinc/47/51/60/1199475160.db2.gz IKCXIAIVWFPUPG-AWEZNQCLSA-N 0 3 377.493 0.167 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000673262285 1199507332 /nfs/dbraw/zinc/50/73/32/1199507332.db2.gz RHTQZYHJYRMATI-OKZBNKHCSA-N 0 3 390.528 0.838 20 0 GCADHN C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1)N1CCCCC1=O ZINC001003360833 1199509906 /nfs/dbraw/zinc/50/99/06/1199509906.db2.gz VWKLCBZZJZWBJB-VQHPVUNQSA-N 0 3 376.501 0.731 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(=O)N(C)C1)C2)C1CCC1 ZINC001003381327 1199517072 /nfs/dbraw/zinc/51/70/72/1199517072.db2.gz DTAJEFSCFRZFCT-SVGFKBNWSA-N 0 3 376.501 0.587 20 0 GCADHN C[C@H](NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1)[C@H]1CN(C)CCO1 ZINC000673293080 1199522805 /nfs/dbraw/zinc/52/28/05/1199522805.db2.gz VJAKPVVHZQYEKA-ZWKOTPCHSA-N 0 3 394.560 0.984 20 0 GCADHN O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCS1(=O)=O)C2 ZINC001003398247 1199522880 /nfs/dbraw/zinc/52/28/80/1199522880.db2.gz XECILNGMUAQQSY-KBXIAJHMSA-N 0 3 380.470 0.168 20 0 GCADHN O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCS1(=O)=O)C2 ZINC001003398245 1199522923 /nfs/dbraw/zinc/52/29/23/1199522923.db2.gz XECILNGMUAQQSY-APIJFGDWSA-N 0 3 380.470 0.168 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000673303856 1199528870 /nfs/dbraw/zinc/52/88/70/1199528870.db2.gz LBSUFDOEQXADQS-SJORKVTESA-N 0 3 389.500 0.346 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCNC2=O)C3)CC1 ZINC001003418023 1199530275 /nfs/dbraw/zinc/53/02/75/1199530275.db2.gz HMNMYDQNJXTCCO-VQHPVUNQSA-N 0 3 376.501 0.493 20 0 GCADHN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000673306594 1199530989 /nfs/dbraw/zinc/53/09/89/1199530989.db2.gz VISGTMOCNCFUGQ-DLBZAZTESA-N 0 3 376.501 0.590 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)C1=CCN(C)CC1 ZINC000673359064 1199570188 /nfs/dbraw/zinc/57/01/88/1199570188.db2.gz CZUGATBFAXQGJP-YOEHRIQHSA-N 0 3 376.501 0.660 20 0 GCADHN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000673356866 1199575087 /nfs/dbraw/zinc/57/50/87/1199575087.db2.gz HJUSBXGZDNULLI-QZTJIDSGSA-N 0 3 390.528 0.981 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3nccnc3c1)C2 ZINC001003524775 1199581619 /nfs/dbraw/zinc/58/16/19/1199581619.db2.gz RZEBODVPMYZHHO-TXCZRRACSA-N 0 3 380.452 0.981 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2)C1CCC1 ZINC001003542743 1199586114 /nfs/dbraw/zinc/58/61/14/1199586114.db2.gz LIEWXOIBNTXQHG-KFWWJZLASA-N 0 3 375.473 0.070 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CCNC(=O)C1)C2)C1CCC1 ZINC001003710867 1199637573 /nfs/dbraw/zinc/63/75/73/1199637573.db2.gz JYEKIURBUWSALV-DICRZQGBSA-N 0 3 376.501 0.635 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)c2c[nH]cn2)O1 ZINC001003706153 1199639956 /nfs/dbraw/zinc/63/99/56/1199639956.db2.gz HHYOEOIOCFSSEY-DGXTUMSLSA-N 0 3 389.500 0.655 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000673437748 1199645260 /nfs/dbraw/zinc/64/52/60/1199645260.db2.gz HRFUOOGBZTXDEB-RDTXWAMCSA-N 0 3 380.489 0.545 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000265845460 1199645307 /nfs/dbraw/zinc/64/53/07/1199645307.db2.gz QUOGKUFJWGYIIP-GOSISDBHSA-N 0 3 390.484 0.547 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccc4ncnn42)C3)C1 ZINC001003823165 1199677226 /nfs/dbraw/zinc/67/72/26/1199677226.db2.gz RPBCFKFGGMCBNX-FPCVCCKLSA-N 0 3 382.468 0.933 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCN2CCCCC2)[C@@H](C)O)cc1 ZINC000499735528 1199680154 /nfs/dbraw/zinc/68/01/54/1199680154.db2.gz SDEKKQPAECZUCW-WBVHZDCISA-N 0 3 383.514 0.625 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 ZINC000265851017 1199681063 /nfs/dbraw/zinc/68/10/63/1199681063.db2.gz BBZMFDGWIIYEMU-UHFFFAOYSA-N 0 3 382.486 0.442 20 0 GCADHN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@H](CO)CN1CCCCC1 ZINC000673464064 1199683142 /nfs/dbraw/zinc/68/31/42/1199683142.db2.gz IZNUQPICHAFAJC-HNNXBMFYSA-N 0 3 378.864 0.957 20 0 GCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC000673518356 1199726153 /nfs/dbraw/zinc/72/61/53/1199726153.db2.gz WUYAAUUHFYPPFU-GJZGRUSLSA-N 0 3 381.498 0.574 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)CN(C)C)CC2)cc1 ZINC000673519508 1199728095 /nfs/dbraw/zinc/72/80/95/1199728095.db2.gz WMCFAVHFSNHOEV-MRXNPFEDSA-N 0 3 383.514 0.434 20 0 GCADHN CC(C)[C@H](C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)N1C(=O)c2ccccc2C1=O ZINC000673516452 1199728804 /nfs/dbraw/zinc/72/88/04/1199728804.db2.gz RNJLBOCEXNBFAC-IIDMSEBBSA-N 0 3 385.464 0.975 20 0 GCADHN CS(=O)(=O)N1CCc2cc(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)ccc21 ZINC000673515668 1199729316 /nfs/dbraw/zinc/72/93/16/1199729316.db2.gz OFSRHGJAFJCSDE-HZPDHXFCSA-N 0 3 379.482 0.290 20 0 GCADHN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673514639 1199729441 /nfs/dbraw/zinc/72/94/41/1199729441.db2.gz ZOXCGNRTVAITPN-GJZGRUSLSA-N 0 3 376.848 0.661 20 0 GCADHN CC(=O)NC1(c2noc(CCC(=O)N[C@H](CO)CN(C)C)n2)CCCCCC1 ZINC000673524471 1199732216 /nfs/dbraw/zinc/73/22/16/1199732216.db2.gz VWIBNNQEUHYLDK-HNNXBMFYSA-N 0 3 395.504 0.727 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCc2nc(CN3CCCCC3)no2)CC1=O ZINC000670399536 1199737513 /nfs/dbraw/zinc/73/75/13/1199737513.db2.gz VAOOZZBKQJSXEW-CQSZACIVSA-N 0 3 378.477 0.082 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC000673533122 1199741420 /nfs/dbraw/zinc/74/14/20/1199741420.db2.gz IJXPGFDRINNNLL-MRXNPFEDSA-N 0 3 383.514 0.904 20 0 GCADHN COc1ccc(CN2C[C@H](C(=O)N[C@H](CO)CN3CCCC3)CC2=O)cc1 ZINC000673532545 1199742400 /nfs/dbraw/zinc/74/24/00/1199742400.db2.gz FZTIKBHNEDKUFB-SJORKVTESA-N 0 3 375.469 0.617 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C3)C1 ZINC001004008289 1199746620 /nfs/dbraw/zinc/74/66/20/1199746620.db2.gz BZJPUZXBKBTEKB-JJXSEGSLSA-N 0 3 376.501 0.635 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC1 ZINC000118341780 1199760308 /nfs/dbraw/zinc/76/03/08/1199760308.db2.gz JRUSLNPPTOGKFA-VQIMIIECSA-N 0 3 385.516 0.908 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCN(C)C)c(C)c1S(=O)(=O)NC1CC1 ZINC000265858540 1199762201 /nfs/dbraw/zinc/76/22/01/1199762201.db2.gz CDTBPPAKPHHJFS-UHFFFAOYSA-N 0 3 382.486 0.360 20 0 GCADHN CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3nccn3c1)C2)C1CC1 ZINC001004103572 1199774099 /nfs/dbraw/zinc/77/40/99/1199774099.db2.gz FGICBKGJOYIUOH-NCOADZHNSA-N 0 3 382.468 0.931 20 0 GCADHN COc1coc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCN2C)cc1=O ZINC001004104600 1199775442 /nfs/dbraw/zinc/77/54/42/1199775442.db2.gz WDGAVSYZCCYNLT-MQYQWHSLSA-N 0 3 375.425 0.604 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(-c3ccco3)on2)CC1=O ZINC000673549493 1199780352 /nfs/dbraw/zinc/78/03/52/1199780352.db2.gz DUGXXTCUHKIZCN-CYBMUJFWSA-N 0 3 376.413 0.844 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CC1=O ZINC000673549491 1199780765 /nfs/dbraw/zinc/78/07/65/1199780765.db2.gz DPYJXKNCQYBBPZ-WFVVYAPDSA-N 0 3 379.501 0.677 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(F)cc3[nH]cnc32)CC1=O 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O=C(NCCN1CCCC1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673631965 1199896900 /nfs/dbraw/zinc/89/69/00/1199896900.db2.gz BEAOOAADJPYMFO-KRWDZBQOSA-N 0 3 385.468 0.748 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)CC1=O ZINC000673634190 1199897966 /nfs/dbraw/zinc/89/79/66/1199897966.db2.gz KIMJRPAQHANLEJ-QGZVFWFLSA-N 0 3 386.496 0.947 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2cnn(CCOC)c2)CC1 ZINC000282410585 1199900063 /nfs/dbraw/zinc/90/00/63/1199900063.db2.gz IEHKPDDKHUCQPY-UHFFFAOYSA-N 0 3 380.493 0.225 20 0 GCADHN CN1C(=O)C[C@H](NCCC(=O)N2CCN(C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000282412126 1199902698 /nfs/dbraw/zinc/90/26/98/1199902698.db2.gz GCHBXVHMJCCRQP-QFBILLFUSA-N 0 3 380.439 0.990 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3C[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000509084993 1199904693 /nfs/dbraw/zinc/90/46/93/1199904693.db2.gz QEJFAGRKZBEFBF-BQFCYCMXSA-N 0 3 395.525 0.529 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)CC1 ZINC000625108746 1199905631 /nfs/dbraw/zinc/90/56/31/1199905631.db2.gz NRMHTPCVMFYTDJ-OXJNMPFZSA-N 0 3 376.501 0.624 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cccc(Cn3cncn3)c2)CC1 ZINC000625110189 1199907270 /nfs/dbraw/zinc/90/72/70/1199907270.db2.gz XCTJQLBRNNZGTC-SFHVURJKSA-N 0 3 382.468 0.881 20 0 GCADHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625136327 1199909969 /nfs/dbraw/zinc/90/99/69/1199909969.db2.gz HNJIIHGHUAICMA-UHFFFAOYSA-N 0 3 392.529 0.914 20 0 GCADHN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N[C@H]3CCN(C4CC4)C3)CC2=O)c1 ZINC000673650091 1199915044 /nfs/dbraw/zinc/91/50/44/1199915044.db2.gz WPDWRPVNGPSPLV-OLZOCXBDSA-N 0 3 392.481 0.040 20 0 GCADHN O=C([C@@H]1CCC(=O)NC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000131374241 1199926184 /nfs/dbraw/zinc/92/61/84/1199926184.db2.gz VDIQUJCYWWRDIG-ZWKOTPCHSA-N 0 3 385.512 0.968 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2nnc(-c3cn[nH]c3)n2CC2CC2)CC1 ZINC000625311754 1199934304 /nfs/dbraw/zinc/93/43/04/1199934304.db2.gz ZNKOHDOWYDKCEY-UHFFFAOYSA-N 0 3 384.488 0.823 20 0 GCADHN Cc1ccccc1[C@@H](CO)NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000673774559 1199938881 /nfs/dbraw/zinc/93/88/81/1199938881.db2.gz FKHDOWAUQXVKSF-LJQANCHMSA-N 0 3 378.517 0.718 20 0 GCADHN C[C@H](N[C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000543490815 1199957190 /nfs/dbraw/zinc/95/71/90/1199957190.db2.gz GMTQUXUSFVILES-SWLSCSKDSA-N 0 3 397.497 0.677 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)N1CCOCC1 ZINC001004813745 1199967223 /nfs/dbraw/zinc/96/72/23/1199967223.db2.gz ALLMGLFDRREXPK-ABFRBSLYSA-N 0 3 375.473 0.229 20 0 GCADHN CC(C)(CO)N1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000673895203 1199970011 /nfs/dbraw/zinc/97/00/11/1199970011.db2.gz FWABRHZJIRRUHQ-UHFFFAOYSA-N 0 3 384.502 0.051 20 0 GCADHN CCN1CCOC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]c1C)C2 ZINC001004815203 1199970157 /nfs/dbraw/zinc/97/01/57/1199970157.db2.gz POBKISOJPGLYCN-SIXLDLHFSA-N 0 3 375.473 0.229 20 0 GCADHN 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ZINC001004913116 1200009829 /nfs/dbraw/zinc/00/98/29/1200009829.db2.gz LGPPPXIVRNCBEE-MCIONIFRSA-N 0 3 375.473 0.862 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC000625560636 1200037589 /nfs/dbraw/zinc/03/75/89/1200037589.db2.gz FILWUOXWYBOVIX-HZPDHXFCSA-N 0 3 376.505 0.163 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCCN(C(=O)[C@H](CO)C(F)(F)F)CC2)C1=O ZINC001273117390 1200041585 /nfs/dbraw/zinc/04/15/85/1200041585.db2.gz JPJYCQUUQVCICT-BBRMVZONSA-N 0 3 379.423 0.950 20 0 GCADHN CCn1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C(C)C)N(C)C)nn1 ZINC001005036382 1200047796 /nfs/dbraw/zinc/04/77/96/1200047796.db2.gz LQFISGWUUSCAMS-CBZIJGRNSA-N 0 3 376.505 0.675 20 0 GCADHN CCn1nncc1CNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000625651345 1200120965 /nfs/dbraw/zinc/12/09/65/1200120965.db2.gz ZQKRKLOCFAEHMY-FUHWJXTLSA-N 0 3 382.468 0.647 20 0 GCADHN CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000674040120 1200140218 /nfs/dbraw/zinc/14/02/18/1200140218.db2.gz 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CNS(=O)(=O)Cc1ccc(CNC(=O)NCCN2CCC(OC)CC2)cc1 ZINC000674326687 1200221101 /nfs/dbraw/zinc/22/11/01/1200221101.db2.gz KNQHQLYWBFVINH-UHFFFAOYSA-N 0 3 398.529 0.646 20 0 GCADHN COC1CCN(CCNC(=O)NCC(=O)N(C)CCc2ccccn2)CC1 ZINC000674329060 1200222592 /nfs/dbraw/zinc/22/25/92/1200222592.db2.gz WYNQTCUECZDQHJ-UHFFFAOYSA-N 0 3 377.489 0.493 20 0 GCADHN COC1CCN(CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000674332471 1200225977 /nfs/dbraw/zinc/22/59/77/1200225977.db2.gz XKQCRKVAGJNTOF-UHFFFAOYSA-N 0 3 397.545 0.540 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)NC[C@H]3C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000674539891 1200271668 /nfs/dbraw/zinc/27/16/68/1200271668.db2.gz AEBCNYONASSZSN-HNNXBMFYSA-N 0 3 395.467 0.413 20 0 GCADHN CN1CCC2(CCN(C(=O)C(=O)N3CCC[C@H]3CN3CCCCC3)CC2)C1=O ZINC001117846695 1200279033 /nfs/dbraw/zinc/27/90/33/1200279033.db2.gz JHFYKQHOLQRJSF-KRWDZBQOSA-N 0 3 390.528 0.934 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CN1C1CC1 ZINC000674689306 1200307759 /nfs/dbraw/zinc/30/77/59/1200307759.db2.gz KSJKGJVEEZBNRA-KBPBESRZSA-N 0 3 396.513 0.401 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000674731622 1200312260 /nfs/dbraw/zinc/31/22/60/1200312260.db2.gz GJXZENGYFINOJB-BFYDXBDKSA-N 0 3 382.505 0.119 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)C2CCC3(CC2)NC(=O)NC3=O)C[C@H](C)O1 ZINC000674731651 1200312735 /nfs/dbraw/zinc/31/27/35/1200312735.db2.gz GTSSYMSKEBEZMV-NRUSHDPLSA-N 0 3 380.489 0.760 20 0 GCADHN CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CCN2C1=O ZINC000675084398 1200348192 /nfs/dbraw/zinc/34/81/92/1200348192.db2.gz VXSLVSPNQOQTRD-SJORKVTESA-N 0 3 385.468 0.939 20 0 GCADHN Cc1[nH]cnc1CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001061744549 1200350587 /nfs/dbraw/zinc/35/05/87/1200350587.db2.gz IBPIPYFXSALHJH-YRBFXIGRSA-N 0 3 376.457 0.419 20 0 GCADHN O=C(N[C@@H]1CCCCN(CCCN2C(=O)CNC2=O)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001034415651 1200356839 /nfs/dbraw/zinc/35/68/39/1200356839.db2.gz XCSKOABDSDGRHM-FPCVCCKLSA-N 0 3 378.473 0.467 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000675220288 1200363198 /nfs/dbraw/zinc/36/31/98/1200363198.db2.gz IXGMTQDRRMFWCA-HNNXBMFYSA-N 0 3 398.529 0.103 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)CCN1CCNS(=O)(=O)c1cnn(C)c1 ZINC000173773164 1200373968 /nfs/dbraw/zinc/37/39/68/1200373968.db2.gz YPXXBUSDSKUTPK-INIZCTEOSA-N 0 3 377.514 0.905 20 0 GCADHN C[C@@H]1CN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C[C@H]1NC(=O)OC(C)(C)C ZINC000766118034 1200386758 /nfs/dbraw/zinc/38/67/58/1200386758.db2.gz HKIOOPFNAQOCGL-ZIAGYGMSSA-N 0 3 395.504 0.805 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(C)n1 ZINC000675401908 1200393714 /nfs/dbraw/zinc/39/37/14/1200393714.db2.gz KFWVGOLINXTNQF-UHFFFAOYSA-N 0 3 389.456 0.104 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CCCCC3)[C@H]2C1 ZINC000670526891 1200404331 /nfs/dbraw/zinc/40/43/31/1200404331.db2.gz FGXJZHOEUCDFJT-MSOLQXFVSA-N 0 3 392.544 0.690 20 0 GCADHN CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCN1C1CCCCC1)C2 ZINC001273141013 1200422080 /nfs/dbraw/zinc/42/20/80/1200422080.db2.gz NJDUNFMMMMLYSK-PVAVHDDUSA-N 0 3 384.546 0.733 20 0 GCADHN CNS(=O)(=O)c1ccc(CCC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000675539222 1200428773 /nfs/dbraw/zinc/42/87/73/1200428773.db2.gz ZXFBVCDMXDMBGE-KRWDZBQOSA-N 0 3 395.525 0.897 20 0 GCADHN Cc1cccc(C)c1OC[C@H](O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000675581191 1200434984 /nfs/dbraw/zinc/43/49/84/1200434984.db2.gz ZKQKVISGJUMIJN-DLBZAZTESA-N 0 3 377.485 0.569 20 0 GCADHN CC/C=C/CCN1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064502 1200459297 /nfs/dbraw/zinc/45/92/97/1200459297.db2.gz IASMSFLCRJZBPD-JMXBOANYSA-N 0 3 376.505 0.695 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2Cc2ccccn2)CC1 ZINC000675917972 1200467542 /nfs/dbraw/zinc/46/75/42/1200467542.db2.gz KLSOWUCYXVTCHC-RTBURBONSA-N 0 3 385.512 0.811 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1-n1cnnn1 ZINC000675916519 1200467812 /nfs/dbraw/zinc/46/78/12/1200467812.db2.gz JLIPZDIIVHFQLV-QGZVFWFLSA-N 0 3 383.456 0.349 20 0 GCADHN COc1cc(CCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1O ZINC000675990467 1200474673 /nfs/dbraw/zinc/47/46/73/1200474673.db2.gz SKHBSUTYDKUKJZ-MRXNPFEDSA-N 0 3 390.484 0.891 20 0 GCADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)Cn3ncn(C)c3=O)CC2)cc1 ZINC001129158057 1200476303 /nfs/dbraw/zinc/47/63/03/1200476303.db2.gz MNYKIBCUDQNMBO-UHFFFAOYSA-N 0 3 386.456 0.321 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676297820 1200540084 /nfs/dbraw/zinc/54/00/84/1200540084.db2.gz PUMXISMCVLKUMK-UHFFFAOYSA-N 0 3 383.537 0.291 20 0 GCADHN CNc1nc(N[C@H](C)[C@@H]2CN(C)CCO2)nc(N[C@@H](C)[C@@H]2CN(C)CCO2)n1 ZINC000676314479 1200544559 /nfs/dbraw/zinc/54/45/59/1200544559.db2.gz AWLFTQXMIRCJKB-XGUBFFRZSA-N 0 3 394.524 0.175 20 0 GCADHN C[C@@]1(c2ccc(C(=O)NC3CCN([C@@H]4CCOC4)CC3)cc2)NC(=O)NC1=O ZINC000676340755 1200545669 /nfs/dbraw/zinc/54/56/69/1200545669.db2.gz FOYMYXYJNJHAFC-UZLBHIALSA-N 0 3 386.452 0.724 20 0 GCADHN COc1cc(OC)cc(C(=O)NCC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000676342389 1200545998 /nfs/dbraw/zinc/54/59/98/1200545998.db2.gz HSWDQQMFSNPWSV-MRXNPFEDSA-N 0 3 391.468 0.803 20 0 GCADHN CCNS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000676343956 1200546328 /nfs/dbraw/zinc/54/63/28/1200546328.db2.gz CZTFEJROPCSLJL-MRXNPFEDSA-N 0 3 381.498 0.968 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000676392305 1200553336 /nfs/dbraw/zinc/55/33/36/1200553336.db2.gz DEOMALXFXVFBCS-HNNXBMFYSA-N 0 3 399.451 0.815 20 0 GCADHN CS(=O)(=O)Nc1cccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000676419607 1200556939 /nfs/dbraw/zinc/55/69/39/1200556939.db2.gz VWETZUOAVITDHA-KRWDZBQOSA-N 0 3 396.513 0.081 20 0 GCADHN CS(=O)(=O)Nc1cccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000676419608 1200557116 /nfs/dbraw/zinc/55/71/16/1200557116.db2.gz VWETZUOAVITDHA-QGZVFWFLSA-N 0 3 396.513 0.081 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000640745617 1200622343 /nfs/dbraw/zinc/62/23/43/1200622343.db2.gz CBLOBBKOGHRECE-STQMWFEESA-N 0 3 396.517 1.454 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000640745616 1200622587 /nfs/dbraw/zinc/62/25/87/1200622587.db2.gz CBLOBBKOGHRECE-QWHCGFSZSA-N 0 3 396.517 1.454 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CCSC1 ZINC000531139419 1200650508 /nfs/dbraw/zinc/65/05/08/1200650508.db2.gz ASCOHNMVEPZOPW-SFHVURJKSA-N 0 3 388.497 0.818 20 0 GCADHN O=C(Nc1ccn(CC(F)F)n1)C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000464117071 1200872590 /nfs/dbraw/zinc/87/25/90/1200872590.db2.gz LSXSYXMMGRWORB-AWEZNQCLSA-N 0 3 393.394 1.292 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ncn(Cc3ccccc3)n2)CC1 ZINC000590970746 1200882586 /nfs/dbraw/zinc/88/25/86/1200882586.db2.gz RHQNRBMEGKWKHG-UHFFFAOYSA-N 0 3 399.499 1.344 20 0 GCADHN COCCn1cc(N2C[C@@H](C(=O)N3[C@@H]4CC[C@H]3CN(C)CC4)CC2=O)cn1 ZINC000923265774 1200914478 /nfs/dbraw/zinc/91/44/78/1200914478.db2.gz LYLFHZKOXLEQPM-XHSDSOJGSA-N 0 3 375.473 0.578 20 0 GCADHN COC(=O)[C@H]1CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)[C@H]1C(C)C ZINC000429373422 1200914861 /nfs/dbraw/zinc/91/48/61/1200914861.db2.gz RPHYMZITQUPSJW-LNLFQRSKSA-N 0 3 383.533 0.979 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)[C@@H](C)O)cc1 ZINC000923272876 1200918059 /nfs/dbraw/zinc/91/80/59/1200918059.db2.gz AQRBNHWXMKRVBP-XLMAVXFVSA-N 0 3 395.525 0.718 20 0 GCADHN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@H](N)c1ccccc1CC ZINC000415827478 1200942523 /nfs/dbraw/zinc/94/25/23/1200942523.db2.gz ALTAPETVORJIEE-HNNXBMFYSA-N 0 3 387.440 0.914 20 0 GCADHN CCOc1ccc(OC[C@H](O)CN2CCC[C@H](N3CCNCC3=O)C2)cc1 ZINC000923331744 1200956269 /nfs/dbraw/zinc/95/62/69/1200956269.db2.gz FXTGXEFOQHYMGJ-DLBZAZTESA-N 0 3 377.485 0.721 20 0 GCADHN CCOc1ccc(OC[C@H](O)CN2CCC[C@@H](N3CCNCC3=O)C2)cc1 ZINC000923331748 1200956637 /nfs/dbraw/zinc/95/66/37/1200956637.db2.gz FXTGXEFOQHYMGJ-IAGOWNOFSA-N 0 3 377.485 0.721 20 0 GCADHN COc1ccc(Cn2ccc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)n2)cc1 ZINC000573387391 1200976446 /nfs/dbraw/zinc/97/64/46/1200976446.db2.gz KEQFKEGUOBVIDP-ZBFHGGJFSA-N 0 3 384.440 0.716 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)nn1 ZINC000551482055 1200982760 /nfs/dbraw/zinc/98/27/60/1200982760.db2.gz UMWGSVACDXHJQJ-INIZCTEOSA-N 0 3 399.451 0.831 20 0 GCADHN COc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1S(=O)(=O)N1CCCC1 ZINC000547277752 1201011216 /nfs/dbraw/zinc/01/12/16/1201011216.db2.gz YWIXCFZZCJGNIA-SFHVURJKSA-N 0 3 397.497 0.276 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCc3cn(C)cn3)cc2)CC1 ZINC000929389310 1201016681 /nfs/dbraw/zinc/01/66/81/1201016681.db2.gz PZDPLCUXHPNECE-UHFFFAOYSA-N 0 3 398.511 0.490 20 0 GCADHN COc1cc(CN[C@@H]2CC(=O)N3CCCC[C@H]23)cc(OC)c1OCC(N)=O ZINC000509407321 1201025031 /nfs/dbraw/zinc/02/50/31/1201025031.db2.gz ZUEFJVBYYFWNOB-ZIAGYGMSSA-N 0 3 377.441 0.811 20 0 GCADHN COc1cc(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)cc(OC)c1OCC(N)=O ZINC000509407317 1201025479 /nfs/dbraw/zinc/02/54/79/1201025479.db2.gz ZUEFJVBYYFWNOB-KGLIPLIRSA-N 0 3 377.441 0.811 20 0 GCADHN COc1cncc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000582729257 1201028232 /nfs/dbraw/zinc/02/82/32/1201028232.db2.gz IOFYUDPZHBUQTP-INIZCTEOSA-N 0 3 399.451 0.831 20 0 GCADHN COc1cncc(NC(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)n1 ZINC000564662707 1201028303 /nfs/dbraw/zinc/02/83/03/1201028303.db2.gz VEMTXAWDQBRDRA-ZDUSSCGKSA-N 0 3 384.440 1.161 20 0 GCADHN CS[C@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@@H]1N(C)C ZINC000329570434 1201045220 /nfs/dbraw/zinc/04/52/20/1201045220.db2.gz MGSXFVVGURSMSQ-GJZGRUSLSA-N 0 3 382.534 0.725 20 0 GCADHN CS[C@@H]1CN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@@H]1N(C)C ZINC000329570437 1201045455 /nfs/dbraw/zinc/04/54/55/1201045455.db2.gz MGSXFVVGURSMSQ-LSDHHAIUSA-N 0 3 382.534 0.725 20 0 GCADHN Cc1onc(NC(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)c1C ZINC000555924154 1201056472 /nfs/dbraw/zinc/05/64/72/1201056472.db2.gz GTUKMETUUWXNKJ-UHFFFAOYSA-N 0 3 399.495 1.506 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)N2CCN(c3ccnc4ccccc43)CC2)n1 ZINC000582494158 1201082972 /nfs/dbraw/zinc/08/29/72/1201082972.db2.gz PQYHWTZSSLLLQT-UHFFFAOYSA-N 0 3 378.440 1.030 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)CC1 ZINC000468745117 1201089114 /nfs/dbraw/zinc/08/91/14/1201089114.db2.gz QCFHULWJSJCWPC-CYBMUJFWSA-N 0 3 388.520 0.256 20 0 GCADHN CC(=O)N1CCN(C(=O)CN2C[C@H](C[C@H]3COCCN3)c3ccccc32)CC1 ZINC000923540593 1201093546 /nfs/dbraw/zinc/09/35/46/1201093546.db2.gz BLRLHAYAWSBCQA-ROUUACIJSA-N 0 3 386.496 0.659 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000573710693 1201132205 /nfs/dbraw/zinc/13/22/05/1201132205.db2.gz SXCNOYIIUOXRCH-ZBFHGGJFSA-N 0 3 397.483 0.541 20 0 GCADHN Cc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923579653 1201158999 /nfs/dbraw/zinc/15/89/99/1201158999.db2.gz RRKGCUQLZWPPPD-UHFFFAOYSA-N 0 3 395.529 0.010 20 0 GCADHN Nc1nc(C2CCCC2)ncc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000554488430 1201169353 /nfs/dbraw/zinc/16/93/53/1201169353.db2.gz WUFYFCGUBLKOAS-UHFFFAOYSA-N 0 3 386.500 1.097 20 0 GCADHN Nc1nc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)nc(N2CCOCC2)n1 ZINC000553128885 1201177055 /nfs/dbraw/zinc/17/70/55/1201177055.db2.gz JZIHUAXXJRDMGJ-INIZCTEOSA-N 0 3 397.483 0.685 20 0 GCADHN CNC(=O)c1ccn([C@@H]2CCCN(C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC000486564353 1201192832 /nfs/dbraw/zinc/19/28/32/1201192832.db2.gz UBUSDHLMPMGLPM-TWMKSMIVSA-N 0 3 379.505 0.350 20 0 GCADHN Cc1[nH]cnc1CC(=O)NC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1 ZINC001063968900 1201204888 /nfs/dbraw/zinc/20/48/88/1201204888.db2.gz HACNXTHSQRXORC-GRDNDAEWSA-N 0 3 376.457 0.467 20 0 GCADHN C[C@@H]1CCCN1CC(=O)NC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1 ZINC001063969270 1201205569 /nfs/dbraw/zinc/20/55/69/1201205569.db2.gz SAHSEKAZZMMGDW-MUQADHOPSA-N 0 3 379.501 0.677 20 0 GCADHN CC(C)(NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000267000253 1201208295 /nfs/dbraw/zinc/20/82/95/1201208295.db2.gz CNAUIXKKQJPMQB-UHFFFAOYSA-N 0 3 388.512 0.514 20 0 GCADHN CCN(CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(=O)OC(C)(C)C ZINC000804254765 1201213985 /nfs/dbraw/zinc/21/39/85/1201213985.db2.gz QFMFUUCZKDAKEI-OAHLLOKOSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C[C@@H](C)O1 ZINC000500420777 1201221896 /nfs/dbraw/zinc/22/18/96/1201221896.db2.gz FZYPMUZYARAQOG-XMXOFZPTSA-N 0 3 388.512 0.946 20 0 GCADHN COC(=O)C(C)(C)[C@H]1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000611319805 1201230751 /nfs/dbraw/zinc/23/07/51/1201230751.db2.gz MDMCXICFIOUEKL-ZDUSSCGKSA-N 0 3 391.472 0.345 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cnn(C)c3C(F)F)C2)CC1 ZINC000611367484 1201232810 /nfs/dbraw/zinc/23/28/10/1201232810.db2.gz MAAAVJCFLQBPBZ-CYBMUJFWSA-N 0 3 398.458 0.923 20 0 GCADHN COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000611402286 1201235572 /nfs/dbraw/zinc/23/55/72/1201235572.db2.gz FHUQUTVVPNSPRV-GFCCVEGCSA-N 0 3 379.461 0.048 20 0 GCADHN COC(=O)c1csc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1C ZINC000611457548 1201239056 /nfs/dbraw/zinc/23/90/56/1201239056.db2.gz CGJWDDNQDGGZNV-GFCCVEGCSA-N 0 3 396.513 0.781 20 0 GCADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3ccncc3)C2)CC1 ZINC000611546482 1201245047 /nfs/dbraw/zinc/24/50/47/1201245047.db2.gz HAPSVRHBSHMJSX-KRWDZBQOSA-N 0 3 397.483 0.444 20 0 GCADHN Cn1cc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2cccc(F)c2)cn1 ZINC001079198505 1201248548 /nfs/dbraw/zinc/24/85/48/1201248548.db2.gz DRFCJZBCNXDZJN-VSZNYVQBSA-N 0 3 385.443 0.765 20 0 GCADHN Cn1cncc1CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1ccccc1F ZINC001079312312 1201251559 /nfs/dbraw/zinc/25/15/59/1201251559.db2.gz PRVOMDMUEPHIEK-MUQADHOPSA-N 0 3 385.443 0.765 20 0 GCADHN CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001079945788 1201259864 /nfs/dbraw/zinc/25/98/64/1201259864.db2.gz WELKLLHPWAPTKA-DZJNRPSUSA-N 0 3 379.501 0.437 20 0 GCADHN C[C@@H]1CN(CCCN2CCCC2=O)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080182009 1201267814 /nfs/dbraw/zinc/26/78/14/1201267814.db2.gz SKUMENKDTNHAOZ-DIKXUDHVSA-N 0 3 379.501 0.487 20 0 GCADHN Cc1ccc(OCCN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1 ZINC001080434768 1201271708 /nfs/dbraw/zinc/27/17/08/1201271708.db2.gz BGSGGXCEOXTHSS-NRSFXHEJSA-N 0 3 375.469 0.843 20 0 GCADHN C[C@@H]1CN(CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001080439207 1201272558 /nfs/dbraw/zinc/27/25/58/1201272558.db2.gz JAENZGASGFBFGS-DZUCGIPZSA-N 0 3 377.489 0.035 20 0 GCADHN C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001080437533 1201273162 /nfs/dbraw/zinc/27/31/62/1201273162.db2.gz SOHOIICLIFYFFF-ZJPYXAASSA-N 0 3 389.500 0.490 20 0 GCADHN CCN(C(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001080559496 1201276835 /nfs/dbraw/zinc/27/68/35/1201276835.db2.gz HAVUCZQBLFJEBR-WXSAJPJJSA-N 0 3 379.501 0.439 20 0 GCADHN CCN(CC)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001080868845 1201282691 /nfs/dbraw/zinc/28/26/91/1201282691.db2.gz OMFHJZJLLWZIEC-XYJFISCASA-N 0 3 381.517 0.613 20 0 GCADHN CC[C@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1)N(C)C ZINC001080903024 1201285184 /nfs/dbraw/zinc/28/51/84/1201285184.db2.gz WOMWDWQJFUAJFA-MWDXBVQZSA-N 0 3 381.517 0.611 20 0 GCADHN C[C@H]1CCCN1CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001080926216 1201287527 /nfs/dbraw/zinc/28/75/27/1201287527.db2.gz GCCXYNDISJGOIY-FWCYYJLNSA-N 0 3 391.512 0.364 20 0 GCADHN CCCN(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001080930120 1201288865 /nfs/dbraw/zinc/28/88/65/1201288865.db2.gz LPMCVFQACZRMNE-XYJFISCASA-N 0 3 381.517 0.613 20 0 GCADHN CN(CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C1CCC1 ZINC001080928134 1201289183 /nfs/dbraw/zinc/28/91/83/1201289183.db2.gz YDLAZBDYSBVFQD-BCDMZGRMSA-N 0 3 391.512 0.364 20 0 GCADHN CN(CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)C1CCC1 ZINC001081022691 1201293929 /nfs/dbraw/zinc/29/39/29/1201293929.db2.gz IHYBEDXISPGKBK-ZACQAIPSSA-N 0 3 379.501 0.508 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2nnn(Cc3cc(C)on3)c2C)CC1 ZINC000512318397 1201294914 /nfs/dbraw/zinc/29/49/14/1201294914.db2.gz AARXEXYGONPKPN-CQSZACIVSA-N 0 3 389.504 0.935 20 0 GCADHN CO[C@@H]1CN(Cc2c(C)cccc2C)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001082130475 1201322872 /nfs/dbraw/zinc/32/28/72/1201322872.db2.gz NLJXQBGYVIVMBQ-XMTFNYHQSA-N 0 3 375.469 0.652 20 0 GCADHN CO[C@@H]1CN(Cc2c(C)cc(C)cc2C)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001082129509 1201323027 /nfs/dbraw/zinc/32/30/27/1201323027.db2.gz UPBRJLCMBDGPDT-FCGDIQPGSA-N 0 3 389.496 0.960 20 0 GCADHN CO[C@@H]1CN(CC2CCC(F)(F)CC2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001082130671 1201324160 /nfs/dbraw/zinc/32/41/60/1201324160.db2.gz ZCQXLZPOYHFEBW-LXTVHRRPSA-N 0 3 389.443 0.660 20 0 GCADHN COc1ncc(CN[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@H]2C)c(C)n1 ZINC001082518669 1201336065 /nfs/dbraw/zinc/33/60/65/1201336065.db2.gz YBEPQAQELGSNLJ-CZPYZCIJSA-N 0 3 375.473 0.645 20 0 GCADHN CC(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001082521068 1201337062 /nfs/dbraw/zinc/33/70/62/1201337062.db2.gz LDRZQTLMSCNXIT-NTDBWNAOSA-N 0 3 381.517 0.733 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C[C@H]1NCC(=O)N1CCC1 ZINC001082570987 1201338887 /nfs/dbraw/zinc/33/88/87/1201338887.db2.gz KCZDOSFLRXNJGF-RARDXLECSA-N 0 3 387.480 0.812 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1NCC(=O)N1CCC1 ZINC001082594431 1201339778 /nfs/dbraw/zinc/33/97/78/1201339778.db2.gz VXPALTPIJZYBGQ-OXHZDVMGSA-N 0 3 379.379 0.002 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001082592378 1201340372 /nfs/dbraw/zinc/34/03/72/1201340372.db2.gz BYOPCJZFIBKKMX-SLBVQIDZSA-N 0 3 390.509 0.247 20 0 GCADHN Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C[C@H]2C)n[nH]1 ZINC001082593926 1201340455 /nfs/dbraw/zinc/34/04/55/1201340455.db2.gz PLERYGNGMBTMDA-DXLKZPDWSA-N 0 3 377.367 0.396 20 0 GCADHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001082651066 1201341936 /nfs/dbraw/zinc/34/19/36/1201341936.db2.gz HFXKGGAPOFFKSH-YYQUZTFQSA-N 0 3 377.489 0.478 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NCC(=O)N1CCCCCC1 ZINC001082657909 1201342450 /nfs/dbraw/zinc/34/24/50/1201342450.db2.gz BJOMEXAJXACIEG-ZMIKWESLSA-N 0 3 393.528 0.877 20 0 GCADHN COc1cccc(CN[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2C)n1 ZINC001082739290 1201346034 /nfs/dbraw/zinc/34/60/34/1201346034.db2.gz KULHKQYXRMKVDE-MXASKKJJSA-N 0 3 390.484 0.663 20 0 GCADHN CC(=O)Nc1cccc(CN[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)c1 ZINC001082738967 1201346080 /nfs/dbraw/zinc/34/60/80/1201346080.db2.gz QEEJQSVRGQSFNA-GQAVTEOGSA-N 0 3 388.468 0.614 20 0 GCADHN CCS(=O)(=O)c1ccc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)cc1 ZINC001082744403 1201347027 /nfs/dbraw/zinc/34/70/27/1201347027.db2.gz KDEWCFZSJZTVCU-VDNDLQMASA-N 0 3 393.509 0.538 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(=O)NC)CC2)C1 ZINC001082753609 1201348036 /nfs/dbraw/zinc/34/80/36/1201348036.db2.gz WJOUFFASGOTDTM-MUIFIZLQSA-N 0 3 378.517 0.454 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(C(C)(C)C)c2)CC1 ZINC000532565001 1201366914 /nfs/dbraw/zinc/36/69/14/1201366914.db2.gz RPUDAEKZFZAAGZ-HNNXBMFYSA-N 0 3 390.488 0.342 20 0 GCADHN O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 ZINC001083151165 1201392710 /nfs/dbraw/zinc/39/27/10/1201392710.db2.gz LVPVNONZKANCDE-FUMNGEBKSA-N 0 3 393.528 0.578 20 0 GCADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@]2(O)CCSC2)cc1 ZINC000498280031 1201404570 /nfs/dbraw/zinc/40/45/70/1201404570.db2.gz WQVTVWXESKZXRT-IBGZPJMESA-N 0 3 377.510 0.996 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(Cc4ccc(C(N)=O)cc4)C[C@H]32)O1 ZINC001084446911 1201413583 /nfs/dbraw/zinc/41/35/83/1201413583.db2.gz WMHRHYXSJHRRJF-UTRMSSBJSA-N 0 3 386.496 0.537 20 0 GCADHN Cn1nccc1CCN1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001084528881 1201416522 /nfs/dbraw/zinc/41/65/22/1201416522.db2.gz OXKWGSYKMGNXJK-DDBAPUKQSA-N 0 3 389.500 0.308 20 0 GCADHN CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H]2CCCN(CCOC)C2)c1=O ZINC000729982596 1201422426 /nfs/dbraw/zinc/42/24/26/1201422426.db2.gz AIYJTNKGFLRNQX-OAHLLOKOSA-N 0 3 388.468 0.410 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C1 ZINC000729984090 1201422433 /nfs/dbraw/zinc/42/24/33/1201422433.db2.gz WBCWKVVMGGNHBJ-UZLBHIALSA-N 0 3 388.468 0.681 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C1 ZINC000729984089 1201422484 /nfs/dbraw/zinc/42/24/84/1201422484.db2.gz WBCWKVVMGGNHBJ-OXQOHEQNSA-N 0 3 388.468 0.681 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)C1 ZINC000729981467 1201423117 /nfs/dbraw/zinc/42/31/17/1201423117.db2.gz XQIZGYZSZSUWPI-DOMZBBRYSA-N 0 3 378.395 0.787 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C1 ZINC000729984088 1201423145 /nfs/dbraw/zinc/42/31/45/1201423145.db2.gz WBCWKVVMGGNHBJ-OXJNMPFZSA-N 0 3 388.468 0.681 20 0 GCADHN CC[C@H]1C(=O)NCCN1CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000730256299 1201440764 /nfs/dbraw/zinc/44/07/64/1201440764.db2.gz AYEIIJXULPYFSH-LAUBAEHRSA-N 0 3 399.495 0.741 20 0 GCADHN NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000730773969 1201463648 /nfs/dbraw/zinc/46/36/48/1201463648.db2.gz OCFJUNNNSBGIQY-WBVHZDCISA-N 0 3 388.468 0.900 20 0 GCADHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000731466958 1201484583 /nfs/dbraw/zinc/48/45/83/1201484583.db2.gz VPHIKKMJPRBASV-HNNXBMFYSA-N 0 3 393.447 0.765 20 0 GCADHN CC1(C)NC(=O)N(CCN2CC[C@@H]3CCN(C(=O)[C@]45C[C@H]4COC5)C[C@@H]32)C1=O ZINC001084945855 1201503945 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ZINC000771804263 1202162888 /nfs/dbraw/zinc/16/28/88/1202162888.db2.gz DELSXCXUCQEXMZ-IAQYHMDHSA-N 0 3 385.486 0.633 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]1)CCC3)C2 ZINC001109964442 1202163624 /nfs/dbraw/zinc/16/36/24/1202163624.db2.gz NJDWJIOQQCIIRA-RRIFGTCXSA-N 0 3 377.485 0.862 20 0 GCADHN CN(C)C(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001109993744 1202170093 /nfs/dbraw/zinc/17/00/93/1202170093.db2.gz VGLOQZQHNHPOOQ-QZWWFDLISA-N 0 3 377.489 0.224 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001110021470 1202176025 /nfs/dbraw/zinc/17/60/25/1202176025.db2.gz DUVRYEOERDAWKT-FZKCQIBNSA-N 0 3 381.521 0.672 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccsc1 ZINC000787652312 1205397645 /nfs/dbraw/zinc/39/76/45/1205397645.db2.gz ILCKNDGIQKJHRY-HRCADAONSA-N 0 3 380.514 0.446 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N(CCO)Cc2cccnc2Cl)C1 ZINC000787667471 1205398202 /nfs/dbraw/zinc/39/82/02/1205398202.db2.gz DAJKMFDFWYAUEG-AWEZNQCLSA-N 0 3 382.892 0.904 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000787663654 1205398254 /nfs/dbraw/zinc/39/82/54/1205398254.db2.gz ITXRLIYPCRBTJV-UHFFFAOYSA-N 0 3 382.505 0.914 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000787668923 1205398293 /nfs/dbraw/zinc/39/82/93/1205398293.db2.gz IMYGWZLGAQNXCI-HUUCEWRRSA-N 0 3 382.505 0.960 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000787992413 1205410809 /nfs/dbraw/zinc/41/08/09/1205410809.db2.gz LSBNDWRJNUATTE-WMZOPIPTSA-N 0 3 391.468 0.307 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000787992410 1205410878 /nfs/dbraw/zinc/41/08/78/1205410878.db2.gz LSBNDWRJNUATTE-AEFFLSMTSA-N 0 3 391.468 0.307 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000787996502 1205411018 /nfs/dbraw/zinc/41/10/18/1205411018.db2.gz SQJYMCUQGXZMIM-NKXNIHSHSA-N 0 3 379.461 0.023 20 0 GCADHN O=C(NCc1ccccc1N1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000788330144 1205419067 /nfs/dbraw/zinc/41/90/67/1205419067.db2.gz ARQPXQQEDAHJMJ-GOSISDBHSA-N 0 3 386.496 0.740 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCSC(C)(C)C)CC1 ZINC000788366318 1205420999 /nfs/dbraw/zinc/42/09/99/1205420999.db2.gz WTNCXDAESCOBBI-UHFFFAOYSA-N 0 3 386.562 0.647 20 0 GCADHN COC(=O)[C@@H](O)C1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788485545 1205424017 /nfs/dbraw/zinc/42/40/17/1205424017.db2.gz MFXRXHJRRZOCAS-INIZCTEOSA-N 0 3 385.505 0.785 20 0 GCADHN COc1ccc(CCS(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000788612874 1205426914 /nfs/dbraw/zinc/42/69/14/1205426914.db2.gz KQYJKYLAXQMSQM-INIZCTEOSA-N 0 3 383.514 0.745 20 0 GCADHN O=C(NC[C@@H]1CCN(c2ccccc2)C1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000788812822 1205429752 /nfs/dbraw/zinc/42/97/52/1205429752.db2.gz FWFVSEAAFIGGAU-UHOSZYNNSA-N 0 3 386.496 0.609 20 0 GCADHN O=C(NCc1cnn(Cc2ccccc2)c1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000788829454 1205431010 /nfs/dbraw/zinc/43/10/10/1205431010.db2.gz ZDOPDQWGKRULSY-OALUTQOASA-N 0 3 397.479 0.527 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000746801025 1205438632 /nfs/dbraw/zinc/43/86/32/1205438632.db2.gz DXJXBMWEOOMYLD-ZDUSSCGKSA-N 0 3 387.440 0.277 20 0 GCADHN COCC(C)(C)NCC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000772739651 1205442284 /nfs/dbraw/zinc/44/22/84/1205442284.db2.gz BVSYATFRYDIWQV-SFHVURJKSA-N 0 3 378.429 0.508 20 0 GCADHN COCC(C)(C)NCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000772740621 1205444005 /nfs/dbraw/zinc/44/40/05/1205444005.db2.gz JWZDSGXHJGTMCU-SFHVURJKSA-N 0 3 378.429 0.508 20 0 GCADHN COCC(C)(C)NCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000772740616 1205444079 /nfs/dbraw/zinc/44/40/79/1205444079.db2.gz JWZDSGXHJGTMCU-GOSISDBHSA-N 0 3 378.429 0.508 20 0 GCADHN CCOC(=O)N[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)CC(C)C ZINC000789937645 1205452315 /nfs/dbraw/zinc/45/23/15/1205452315.db2.gz XNCQQGPEJRAMST-XHSDSOJGSA-N 0 3 398.504 0.243 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)Oc2cccc(C(=O)NCC(N)=O)c2)cc1 ZINC000790018407 1205454930 /nfs/dbraw/zinc/45/49/30/1205454930.db2.gz JECZJTKQAFTIEU-UHFFFAOYSA-N 0 3 391.449 0.731 20 0 GCADHN C[C@@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)c1nnnn1C ZINC000790164030 1205457942 /nfs/dbraw/zinc/45/79/42/1205457942.db2.gz JLOWCZLLDLQJBS-MRXNPFEDSA-N 0 3 386.504 0.778 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2nccn2C)C1)CN1CCN(C)CC1 ZINC000790186038 1205458559 /nfs/dbraw/zinc/45/85/59/1205458559.db2.gz UDELSOJBPZBTCG-IRXDYDNUSA-N 0 3 390.532 0.126 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2nccn2C)C1)CN1CCN(C)CC1 ZINC000790186035 1205458589 /nfs/dbraw/zinc/45/85/89/1205458589.db2.gz UDELSOJBPZBTCG-DLBZAZTESA-N 0 3 390.532 0.126 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(C)Cc1ncc(Cl)n1C)CN1CCN(C)CC1 ZINC000790196614 1205459042 /nfs/dbraw/zinc/45/90/42/1205459042.db2.gz SPLSEFMEKUMKNM-CYBMUJFWSA-N 0 3 384.912 0.032 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(CC2CCOCC2)OC)CC1 ZINC000790211063 1205459262 /nfs/dbraw/zinc/45/92/62/1205459262.db2.gz XVNMPSBGVNOKSN-MRXNPFEDSA-N 0 3 384.521 0.193 20 0 GCADHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1nnnn1C1CC1 ZINC000790729123 1205470667 /nfs/dbraw/zinc/47/06/67/1205470667.db2.gz XXQFCXYPFGUJRK-CYBMUJFWSA-N 0 3 376.465 0.019 20 0 GCADHN CC(C)[C@H](NC[C@H]1CC2(CC2)C(=O)O1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791623959 1205478781 /nfs/dbraw/zinc/47/87/81/1205478781.db2.gz KREICSHXJSXJDD-CJNGLKHVSA-N 0 3 375.473 0.893 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001110094382 1205480491 /nfs/dbraw/zinc/48/04/91/1205480491.db2.gz YIDSVEFOLYCREE-WCVJEAGWSA-N 0 3 377.489 0.128 20 0 GCADHN NC(=O)c1ncn(C2CCN(CCC(=O)NCC(=O)c3ccccc3)CC2)c1N ZINC001170264757 1205490012 /nfs/dbraw/zinc/49/00/12/1205490012.db2.gz XDGNWVWFLKDLNY-UHFFFAOYSA-N 0 3 398.467 0.590 20 0 GCADHN Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOCC2CCC2)c(=O)[nH]c1=O ZINC001110097952 1205490817 /nfs/dbraw/zinc/49/08/17/1205490817.db2.gz YWDNGUNOWDCOSW-KBMXLJTQSA-N 0 3 376.457 0.638 20 0 GCADHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc(C(=O)N2CCC[C@H]2C(N)=O)cc1Cl ZINC001170338713 1205491017 /nfs/dbraw/zinc/49/10/17/1205491017.db2.gz XLYCPXNMOLHLCF-ZDUSSCGKSA-N 0 3 392.847 0.526 20 0 GCADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793714012 1205503011 /nfs/dbraw/zinc/50/30/11/1205503011.db2.gz NXVKKSYUTQOOOE-INIZCTEOSA-N 0 3 382.505 0.914 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)N1CCCCC1 ZINC000793713896 1205503049 /nfs/dbraw/zinc/50/30/49/1205503049.db2.gz PRRRSCRZKNJRDL-AEFFLSMTSA-N 0 3 386.496 0.894 20 0 GCADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793714014 1205503145 /nfs/dbraw/zinc/50/31/45/1205503145.db2.gz NXVKKSYUTQOOOE-MRXNPFEDSA-N 0 3 382.505 0.914 20 0 GCADHN O=C(NCc1ccccc1N1CCCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793721788 1205503478 /nfs/dbraw/zinc/50/34/78/1205503478.db2.gz ZRLBSWCRAXYWSW-ROUUACIJSA-N 0 3 386.496 0.882 20 0 GCADHN O=C(NCc1ccccc1N1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793721787 1205503518 /nfs/dbraw/zinc/50/35/18/1205503518.db2.gz ZRLBSWCRAXYWSW-QZTJIDSGSA-N 0 3 386.496 0.882 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCCCC1 ZINC000793697584 1205504263 /nfs/dbraw/zinc/50/42/63/1205504263.db2.gz CEZXYZDNUCESDO-HNNXBMFYSA-N 0 3 376.457 0.555 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793699879 1205504288 /nfs/dbraw/zinc/50/42/88/1205504288.db2.gz NTAXWJVBGIZZKU-NEPJUHHUSA-N 0 3 378.395 0.256 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(Cc2cscn2)CC1)N1CCCCC1 ZINC000793699227 1205504357 /nfs/dbraw/zinc/50/43/57/1205504357.db2.gz KRMRZBWMZBMVFN-OAHLLOKOSA-N 0 3 379.530 0.778 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)NC[C@@H](C)N3CCCCC3)CC2)n1 ZINC000793700000 1205504408 /nfs/dbraw/zinc/50/44/08/1205504408.db2.gz OBDBAFSKTJTWOS-CQSZACIVSA-N 0 3 394.545 0.876 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793702589 1205504531 /nfs/dbraw/zinc/50/45/31/1205504531.db2.gz UAEGIEQWCATZJX-IXDOHACOSA-N 0 3 396.532 0.367 20 0 GCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793703592 1205504730 /nfs/dbraw/zinc/50/47/30/1205504730.db2.gz YFAMINSBGXEXIB-IRXDYDNUSA-N 0 3 395.548 0.036 20 0 GCADHN Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000793760296 1205504925 /nfs/dbraw/zinc/50/49/25/1205504925.db2.gz FDHLEGCQBKRGIM-BQFCYCMXSA-N 0 3 375.469 0.858 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1)N1CCCCC1 ZINC000793708990 1205504947 /nfs/dbraw/zinc/50/49/47/1205504947.db2.gz NMEMSWXWCCRLHU-QGZVFWFLSA-N 0 3 380.533 0.548 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)[C@@H](C)C1 ZINC000793729576 1205505322 /nfs/dbraw/zinc/50/53/22/1205505322.db2.gz XXYUNZGNGCFPBZ-HOTGVXAUSA-N 0 3 382.505 0.073 20 0 GCADHN O=C(NCc1cccc2c1OCCCO2)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793738611 1205505492 /nfs/dbraw/zinc/50/54/92/1205505492.db2.gz WJRATNHDZLKMAK-JKSUJKDBSA-N 0 3 389.452 0.444 20 0 GCADHN O=C(NCc1cccc2c1OCCCO2)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793738608 1205505503 /nfs/dbraw/zinc/50/55/03/1205505503.db2.gz WJRATNHDZLKMAK-HOTGVXAUSA-N 0 3 389.452 0.444 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000793818816 1205507492 /nfs/dbraw/zinc/50/74/92/1205507492.db2.gz XRUTZHMIGDEGNW-CYBMUJFWSA-N 0 3 386.493 0.243 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@H]2COC3(CCCCCC3)O2)CC1 ZINC000793817660 1205507651 /nfs/dbraw/zinc/50/76/51/1205507651.db2.gz RHRXUUBGHWVFLM-QGZVFWFLSA-N 0 3 397.516 0.796 20 0 GCADHN Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000793866016 1205507965 /nfs/dbraw/zinc/50/79/65/1205507965.db2.gz NDTRIFIGXYNZEN-HUUCEWRRSA-N 0 3 392.525 0.999 20 0 GCADHN O=C(NCCN1CCc2sccc2C1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793865349 1205508021 /nfs/dbraw/zinc/50/80/21/1205508021.db2.gz KUFNGDDALGEFOY-HOTGVXAUSA-N 0 3 392.525 0.202 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000793901937 1205508669 /nfs/dbraw/zinc/50/86/69/1205508669.db2.gz PARPEKGIEQJPSO-KGLIPLIRSA-N 0 3 382.505 0.959 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000793936481 1205509893 /nfs/dbraw/zinc/50/98/93/1205509893.db2.gz KKWDIOVQSYKBMR-KBPBESRZSA-N 0 3 382.505 0.959 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000793936484 1205509935 /nfs/dbraw/zinc/50/99/35/1205509935.db2.gz KKWDIOVQSYKBMR-UONOGXRCSA-N 0 3 382.505 0.959 20 0 GCADHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000793938859 1205510680 /nfs/dbraw/zinc/51/06/80/1205510680.db2.gz VCMYEQHVDVYXBR-KGLIPLIRSA-N 0 3 382.505 0.959 20 0 GCADHN CN(CCNC(=O)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000793938211 1205510735 /nfs/dbraw/zinc/51/07/35/1205510735.db2.gz RHNFICCHBLIOBA-AWEZNQCLSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000793938863 1205510776 /nfs/dbraw/zinc/51/07/76/1205510776.db2.gz VCMYEQHVDVYXBR-ZIAGYGMSSA-N 0 3 382.505 0.959 20 0 GCADHN CN(CCNC(=O)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000793938214 1205510782 /nfs/dbraw/zinc/51/07/82/1205510782.db2.gz RHNFICCHBLIOBA-CQSZACIVSA-N 0 3 382.505 0.960 20 0 GCADHN O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001110101810 1205512149 /nfs/dbraw/zinc/51/21/49/1205512149.db2.gz GRAFTAOVKOUWBP-FPAYPSAMSA-N 0 3 381.517 0.360 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794398512 1205514121 /nfs/dbraw/zinc/51/41/21/1205514121.db2.gz CPDABCXNLIPWOY-HOTGVXAUSA-N 0 3 384.521 0.501 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000804424202 1205515698 /nfs/dbraw/zinc/51/56/98/1205515698.db2.gz HDLUJGFMEGARPQ-OLZOCXBDSA-N 0 3 392.422 0.599 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N(C)[C@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000804451387 1205516529 /nfs/dbraw/zinc/51/65/29/1205516529.db2.gz IDGIUSRLECRCGS-JTQLQIEISA-N 0 3 391.398 0.696 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000804569793 1205517898 /nfs/dbraw/zinc/51/78/98/1205517898.db2.gz NCNKMFXEYUSGCA-GUYCJALGSA-N 0 3 384.480 0.983 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000804569791 1205518065 /nfs/dbraw/zinc/51/80/65/1205518065.db2.gz NCNKMFXEYUSGCA-CXAGYDPISA-N 0 3 384.480 0.983 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000804573756 1205518281 /nfs/dbraw/zinc/51/82/81/1205518281.db2.gz IOCSCXZNGUHCIO-AWEZNQCLSA-N 0 3 390.484 0.419 20 0 GCADHN CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000804753224 1205523483 /nfs/dbraw/zinc/52/34/83/1205523483.db2.gz SQJDFUUJHICACO-HNNXBMFYSA-N 0 3 380.489 0.666 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCCN(c2ncccc2F)CC1 ZINC000804729908 1205524069 /nfs/dbraw/zinc/52/40/69/1205524069.db2.gz TVRITCNFFITDKK-MRXNPFEDSA-N 0 3 389.475 0.860 20 0 GCADHN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000804729754 1205524129 /nfs/dbraw/zinc/52/41/29/1205524129.db2.gz QOHPCLLUBYADFH-HUUCEWRRSA-N 0 3 380.489 0.713 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804732381 1205524194 /nfs/dbraw/zinc/52/41/94/1205524194.db2.gz MLSJCSNLDRIYIS-DZGCQCFKSA-N 0 3 382.505 0.864 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000804734153 1205524327 /nfs/dbraw/zinc/52/43/27/1205524327.db2.gz XLPPWUMLGGLELQ-WBTXTPOCSA-N 0 3 386.496 0.929 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804732854 1205524387 /nfs/dbraw/zinc/52/43/87/1205524387.db2.gz ZDDLCAZCRIMFIL-DZGCQCFKSA-N 0 3 382.505 0.959 20 0 GCADHN CN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000804732779 1205524442 /nfs/dbraw/zinc/52/44/42/1205524442.db2.gz ZAZPMKLGZPYWRI-OALUTQOASA-N 0 3 398.507 0.846 20 0 GCADHN CCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129932040 1205524764 /nfs/dbraw/zinc/52/47/64/1205524764.db2.gz KCTIPZIAMXDUPC-MLHJIOFPSA-N 0 3 377.489 0.719 20 0 GCADHN O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129939807 1205525124 /nfs/dbraw/zinc/52/51/24/1205525124.db2.gz XUFIXVLPTKNCDA-KSXIZUIISA-N 0 3 399.442 0.716 20 0 GCADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@@H]1n1ccnn1 ZINC001129939465 1205525130 /nfs/dbraw/zinc/52/51/30/1205525130.db2.gz FKSIIGTUWGBPQF-KONPQCLYSA-N 0 3 387.488 0.582 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCCNC(=O)NC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001130011948 1205528154 /nfs/dbraw/zinc/52/81/54/1205528154.db2.gz GGQGEUZNOHPDCK-FPCVCCKLSA-N 0 3 391.520 0.763 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130014554 1205528577 /nfs/dbraw/zinc/52/85/77/1205528577.db2.gz SDQJDZRHSBZHMR-DZVNLGKHSA-N 0 3 375.473 0.614 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001130014485 1205528589 /nfs/dbraw/zinc/52/85/89/1205528589.db2.gz OIEIVECSTMYCMS-ZSAUSMIDSA-N 0 3 385.415 0.469 20 0 GCADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H]1n1ccnn1 ZINC001130034300 1205529926 /nfs/dbraw/zinc/52/99/26/1205529926.db2.gz LQKPTBOMRIIUHI-MLHJIOFPSA-N 0 3 377.489 0.719 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000805156960 1205532731 /nfs/dbraw/zinc/53/27/31/1205532731.db2.gz LQFYLZHCELTMRS-MRXNPFEDSA-N 0 3 397.516 0.794 20 0 GCADHN Cc1nonc1C(=O)N(C)CCN(CCN1CCCC1)C(=O)c1nonc1C ZINC000805201128 1205532739 /nfs/dbraw/zinc/53/27/39/1205532739.db2.gz QFMNUXKOHWHMBC-UHFFFAOYSA-N 0 3 391.432 0.380 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C3OCCO3)C2)CC1 ZINC000805159635 1205532756 /nfs/dbraw/zinc/53/27/56/1205532756.db2.gz PHCPORHNXLJVMR-OAHLLOKOSA-N 0 3 397.516 0.604 20 0 GCADHN NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[n-]1 ZINC001130223461 1205538246 /nfs/dbraw/zinc/53/82/46/1205538246.db2.gz VDUGZAPYZMNLSI-LXFSFDBISA-N 0 3 390.488 0.195 20 0 GCADHN CN(C)C(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCC3)[n-]1 ZINC001130227922 1205538521 /nfs/dbraw/zinc/53/85/21/1205538521.db2.gz VRPQGJJNPBJLEZ-UMCXVIDHSA-N 0 3 390.488 0.161 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2c(C)cccc2C)CC1 ZINC000805677749 1205542469 /nfs/dbraw/zinc/54/24/69/1205542469.db2.gz AESIKGIXGABTSE-UHFFFAOYSA-N 0 3 388.512 0.932 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@@H](CCNC(C)=O)C2)CC1 ZINC000805825543 1205544750 /nfs/dbraw/zinc/54/47/50/1205544750.db2.gz XZJUXVNXARABHM-RDJZCZTQSA-N 0 3 382.505 0.914 20 0 GCADHN CCc1cc(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)[nH]n1 ZINC000805854671 1205545426 /nfs/dbraw/zinc/54/54/26/1205545426.db2.gz XQJLYXMHQNDQKD-IBGZPJMESA-N 0 3 399.495 0.996 20 0 GCADHN CCc1cc(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)n[nH]1 ZINC000805854671 1205545427 /nfs/dbraw/zinc/54/54/27/1205545427.db2.gz XQJLYXMHQNDQKD-IBGZPJMESA-N 0 3 399.495 0.996 20 0 GCADHN O=C(NCc1c[nH]nc1[C@@H]1CCN(CCOCCO)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001130428296 1205545892 /nfs/dbraw/zinc/54/58/92/1205545892.db2.gz WNUPBVSHJNFXCA-DZUCGIPZSA-N 0 3 378.473 0.392 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)NCCN3CCCS3(=O)=O)cc2)CC1 ZINC000747293162 1205548380 /nfs/dbraw/zinc/54/83/80/1205548380.db2.gz IYTHNWDHCXKFJW-UHFFFAOYSA-N 0 3 395.529 0.986 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000806253603 1205552673 /nfs/dbraw/zinc/55/26/73/1205552673.db2.gz SZAFIJIYTSDBSY-TWOQFEAHSA-N 0 3 395.500 0.405 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806254375 1205552729 /nfs/dbraw/zinc/55/27/29/1205552729.db2.gz LCDUALZFDUMCEE-CVEARBPZSA-N 0 3 383.489 0.405 20 0 GCADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCCC1(C)OCCO1 ZINC000806376641 1205554974 /nfs/dbraw/zinc/55/49/74/1205554974.db2.gz AWEQLJZEABZVFG-UHFFFAOYSA-N 0 3 377.485 0.889 20 0 GCADHN CN(CCN1CCN(C(=O)C(=O)NCc2ccon2)CC1)Cc1ccccc1 ZINC000806397876 1205556580 /nfs/dbraw/zinc/55/65/80/1205556580.db2.gz RTHLGGFEFMHNIN-UHFFFAOYSA-N 0 3 385.468 0.567 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC1COC(C)(C)OC1 ZINC000806657458 1205560777 /nfs/dbraw/zinc/56/07/77/1205560777.db2.gz FQBZVWLQJOBBKT-UHFFFAOYSA-N 0 3 381.448 0.984 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000806690417 1205562100 /nfs/dbraw/zinc/56/21/00/1205562100.db2.gz JPYFIERRHZMABD-HZPDHXFCSA-N 0 3 383.489 0.358 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000806690413 1205562134 /nfs/dbraw/zinc/56/21/34/1205562134.db2.gz JPYFIERRHZMABD-CVEARBPZSA-N 0 3 383.489 0.358 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806715290 1205565196 /nfs/dbraw/zinc/56/51/96/1205565196.db2.gz FLMWUKRBOPAKMV-CHWSQXEVSA-N 0 3 390.406 0.480 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CC1(C)C ZINC000806784992 1205567287 /nfs/dbraw/zinc/56/72/87/1205567287.db2.gz DJYIXLWLERRDNR-MRXNPFEDSA-N 0 3 396.532 0.130 20 0 GCADHN COC(=O)c1cn(CC(=O)NC2CCN(Cc3cccc(OC)c3)CC2)nn1 ZINC000747364152 1205569878 /nfs/dbraw/zinc/56/98/78/1205569878.db2.gz NVORHYWDQNVVOW-UHFFFAOYSA-N 0 3 387.440 0.854 20 0 GCADHN COc1cc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc(OC)c1OCC(N)=O ZINC001130799184 1205572807 /nfs/dbraw/zinc/57/28/07/1205572807.db2.gz WOFKCXHMSVMAOT-IBGZPJMESA-N 0 3 377.441 0.782 20 0 GCADHN CC(C)Oc1ccc([C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)N(C)C)cc1 ZINC000805277180 1205576188 /nfs/dbraw/zinc/57/61/88/1205576188.db2.gz PRJOMRWUSGZCFD-KRWDZBQOSA-N 0 3 388.468 0.904 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000807456456 1205581798 /nfs/dbraw/zinc/58/17/98/1205581798.db2.gz MYCJCSHDKKILAZ-UHFFFAOYSA-N 0 3 389.456 0.378 20 0 GCADHN Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2=O)cc1 ZINC000807584707 1205585437 /nfs/dbraw/zinc/58/54/37/1205585437.db2.gz GAUPARWGBIREBR-ZWKOTPCHSA-N 0 3 384.480 0.913 20 0 GCADHN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000808036147 1205595776 /nfs/dbraw/zinc/59/57/76/1205595776.db2.gz FLTWBHNXPFLYTB-GJZGRUSLSA-N 0 3 382.505 0.912 20 0 GCADHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)NC[C@@H]2CCCN2CC)C1 ZINC000808041040 1205596225 /nfs/dbraw/zinc/59/62/25/1205596225.db2.gz LXOHGDIIXOWQJQ-PMPSAXMXSA-N 0 3 382.505 0.960 20 0 GCADHN Cn1nccc1CCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000808018165 1205596730 /nfs/dbraw/zinc/59/67/30/1205596730.db2.gz IIMTULOQOKXLDT-IBGZPJMESA-N 0 3 399.495 0.486 20 0 GCADHN NC(=O)[C@@H]1CC(C(=O)N[C@@H](CO)CN2CCCCC2)=NN1c1ccc(F)cc1 ZINC000808081451 1205598619 /nfs/dbraw/zinc/59/86/19/1205598619.db2.gz OSSXRNVRSJHVMN-PBHICJAKSA-N 0 3 391.447 0.209 20 0 GCADHN CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(C3CCOCC3)CC2)C1=O ZINC000808165405 1205600161 /nfs/dbraw/zinc/60/01/61/1205600161.db2.gz CYYRFEKJLPHOHZ-IBGZPJMESA-N 0 3 396.488 0.394 20 0 GCADHN O=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000808157078 1205600758 /nfs/dbraw/zinc/60/07/58/1205600758.db2.gz SHHZBWYYMGQELO-SJORKVTESA-N 0 3 388.443 0.972 20 0 GCADHN CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(CC(C)(C)O)[C@@H](C)C2)C1=O ZINC000808181009 1205601289 /nfs/dbraw/zinc/60/12/89/1205601289.db2.gz UMRBTANXMUZWMS-LIRRHRJNSA-N 0 3 398.504 0.375 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000808174952 1205602224 /nfs/dbraw/zinc/60/22/24/1205602224.db2.gz WWZAFGLINSOGMQ-CYBMUJFWSA-N 0 3 384.477 0.571 20 0 GCADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@H](CO)CN1CCCC1 ZINC000808217388 1205602431 /nfs/dbraw/zinc/60/24/31/1205602431.db2.gz BPEPDNHQDZDXSS-DLBZAZTESA-N 0 3 376.436 0.477 20 0 GCADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000808220352 1205602697 /nfs/dbraw/zinc/60/26/97/1205602697.db2.gz DBMVKSLHUUTQPA-SJORKVTESA-N 0 3 376.436 0.477 20 0 GCADHN COc1cccc(C[C@@H](C(=O)N[C@H](CO)CN2CCCC2)n2nnnc2C)c1 ZINC000808219557 1205602765 /nfs/dbraw/zinc/60/27/65/1205602765.db2.gz OSGZKLAXEWATEQ-WMZOPIPTSA-N 0 3 388.472 0.347 20 0 GCADHN O=C1C(=O)N(C2CCCCC2)C(=O)N1CN1CCN(C2CCOCC2)CC1 ZINC000747466502 1205602827 /nfs/dbraw/zinc/60/28/27/1205602827.db2.gz JGUGAAVBALVBSC-UHFFFAOYSA-N 0 3 378.473 0.864 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCO[C@@H](C(=O)OC(C)(C)C)C1)C2=O ZINC000747467871 1205603292 /nfs/dbraw/zinc/60/32/92/1205603292.db2.gz ROYDGOXRBYSVFD-CYBMUJFWSA-N 0 3 382.461 0.003 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CC(c3ccccc3)=NO2)CC1=O ZINC000808270369 1205604784 /nfs/dbraw/zinc/60/47/84/1205604784.db2.gz VWTWXKHFVIOYFR-FUHWJXTLSA-N 0 3 388.468 0.475 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1=O ZINC000808270368 1205604968 /nfs/dbraw/zinc/60/49/68/1205604968.db2.gz VWTWXKHFVIOYFR-AEFFLSMTSA-N 0 3 388.468 0.475 20 0 GCADHN COC(=O)[C@@H]1CC[C@@H](N2Cc3nccn3C[C@@H](CN3CCN(C)CC3)C2)C1 ZINC001170550979 1205606569 /nfs/dbraw/zinc/60/65/69/1205606569.db2.gz QCOHMLOSDIAXNA-KZNAEPCWSA-N 0 3 375.517 0.904 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccc3c2COC3=O)CC1 ZINC000808921922 1205614392 /nfs/dbraw/zinc/61/43/92/1205614392.db2.gz KPTJTXVEAHDGBG-CQSZACIVSA-N 0 3 388.468 0.685 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCC3(C2)OCCO3)CC1 ZINC000808933039 1205614705 /nfs/dbraw/zinc/61/47/05/1205614705.db2.gz FADHXXXEGSLKIX-OAHLLOKOSA-N 0 3 388.468 0.699 20 0 GCADHN O=C(NCCNCCNS(=O)(=O)c1ccccc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131522037 1205615861 /nfs/dbraw/zinc/61/58/61/1205615861.db2.gz QABNDLGSAHWLJO-ALYAQQCSSA-N 0 3 379.482 0.094 20 0 GCADHN NC(=O)NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001131533431 1205616898 /nfs/dbraw/zinc/61/68/98/1205616898.db2.gz DLJGPNOHUDYRMU-GTACMHHNSA-N 0 3 378.473 0.357 20 0 GCADHN C[C@H](NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)NCCc1cccs1 ZINC001131524776 1205617106 /nfs/dbraw/zinc/61/71/06/1205617106.db2.gz QPWXNPSGMGKBRH-JOWCLZMLSA-N 0 3 377.510 0.925 20 0 GCADHN CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001131535602 1205618008 /nfs/dbraw/zinc/61/80/08/1205618008.db2.gz HFBQIYSTWRIALT-FPAYPSAMSA-N 0 3 379.501 0.533 20 0 GCADHN CCC[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC(N)=O)CC1 ZINC001131559743 1205618231 /nfs/dbraw/zinc/61/82/31/1205618231.db2.gz GEDSEXWZEDLMSZ-ANQUJSFKSA-N 0 3 380.489 0.603 20 0 GCADHN C[C@@H](Nc1ccccc1-c1cn(S(=O)(=O)N(C)C)cn1)[C@@H]1CNCCO1 ZINC001170571710 1205619342 /nfs/dbraw/zinc/61/93/42/1205619342.db2.gz NVJLJENGUZXXPU-DYVFJYSZSA-N 0 3 379.486 0.993 20 0 GCADHN CN(C)C(=O)c1cccc(CNCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1 ZINC001131647896 1205622825 /nfs/dbraw/zinc/62/28/25/1205622825.db2.gz HASHDXMAJVOMDR-OKZBNKHCSA-N 0 3 375.469 0.646 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)NC(=O)NCC(F)(F)F ZINC001131662951 1205622936 /nfs/dbraw/zinc/62/29/36/1205622936.db2.gz PQVCBCYSPCMEQE-SDDRHHMPSA-N 0 3 378.395 0.907 20 0 GCADHN CC(=O)N[C@H]1CCCN(C(=O)CNCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001131659632 1205623341 /nfs/dbraw/zinc/62/33/41/1205623341.db2.gz OCRFLVMDKRQDLX-XLAORIBOSA-N 0 3 378.517 0.646 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1COC2(CCCCCC2)O1 ZINC000809674331 1205628152 /nfs/dbraw/zinc/62/81/52/1205628152.db2.gz BYOVAYZGMOZLMP-INIZCTEOSA-N 0 3 385.505 0.605 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)C1=CCN(C)CC1 ZINC000809707641 1205628979 /nfs/dbraw/zinc/62/89/79/1205628979.db2.gz KBMJWJGOBQEILJ-DGCLKSJQSA-N 0 3 390.406 0.375 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)C1=CCN(C)CC1 ZINC000809706759 1205629097 /nfs/dbraw/zinc/62/90/97/1205629097.db2.gz JVLXQZFATIYHAE-XIRDDKMYSA-N 0 3 389.500 0.459 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000809798289 1205629506 /nfs/dbraw/zinc/62/95/06/1205629506.db2.gz VQMGNYZLKMBOQL-GFCCVEGCSA-N 0 3 392.447 0.863 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809955224 1205632091 /nfs/dbraw/zinc/63/20/91/1205632091.db2.gz STFFVZVDCLLHRH-BEFAXECRSA-N 0 3 384.521 0.501 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F ZINC000810368638 1205635899 /nfs/dbraw/zinc/63/58/99/1205635899.db2.gz CKNRRVITCJZIOB-LLVKDONJSA-N 0 3 398.410 0.968 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N(C)S(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001170611451 1205640682 /nfs/dbraw/zinc/64/06/82/1205640682.db2.gz UCWZQFRPSADHPP-STQMWFEESA-N 0 3 393.506 0.538 20 0 GCADHN CC(C)(C)OC(=O)CS(=O)(=O)CCN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC001170631179 1205650236 /nfs/dbraw/zinc/65/02/36/1205650236.db2.gz BJXHCBPRRFCKIC-DOTOQJQBSA-N 0 3 377.503 0.653 20 0 GCADHN O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccco1 ZINC001110103247 1205659345 /nfs/dbraw/zinc/65/93/45/1205659345.db2.gz LBXUSKNSAYNGGD-FPAYPSAMSA-N 0 3 377.485 0.974 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1COc2ccccc2[C@H]1O ZINC000812022158 1205660342 /nfs/dbraw/zinc/66/03/42/1205660342.db2.gz IQZYKLXMKNJVFK-XYJFISCASA-N 0 3 390.484 0.723 20 0 GCADHN COCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000812075751 1205660911 /nfs/dbraw/zinc/66/09/11/1205660911.db2.gz HAAISPLIYJMJEN-MRXNPFEDSA-N 0 3 376.505 0.935 20 0 GCADHN COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000812132192 1205661519 /nfs/dbraw/zinc/66/15/19/1205661519.db2.gz XKDWKVXFPQAKBT-KRWDZBQOSA-N 0 3 399.499 0.729 20 0 GCADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@H](N2CCNC2=O)C1 ZINC000747813967 1205668149 /nfs/dbraw/zinc/66/81/49/1205668149.db2.gz JHYVLIARVFHJQM-OJNRTJSBSA-N 0 3 382.486 0.456 20 0 GCADHN COc1cccc(CN2CCC(NC(=O)[C@H](CO)NC(=O)C(C)C)CC2)c1 ZINC000813417899 1205675801 /nfs/dbraw/zinc/67/58/01/1205675801.db2.gz QYXGNCYQGYIDFC-SFHVURJKSA-N 0 3 377.485 0.909 20 0 GCADHN CCCc1nnc(SCC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1N ZINC000813433635 1205676029 /nfs/dbraw/zinc/67/60/29/1205676029.db2.gz RYZWZPWFCLAJHU-CYBMUJFWSA-N 0 3 397.549 0.095 20 0 GCADHN O=C(CN1c2ccccc2OC(F)(F)C1=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000814109255 1205686994 /nfs/dbraw/zinc/68/69/94/1205686994.db2.gz OQIHEPGYCUHNKU-QWHCGFSZSA-N 0 3 381.379 0.984 20 0 GCADHN COCc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC001134102247 1205687235 /nfs/dbraw/zinc/68/72/35/1205687235.db2.gz CXEHFAXMYPTADZ-KURKYZTESA-N 0 3 375.469 0.723 20 0 GCADHN C[C@@H](NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)NC(=O)NCC(F)(F)F ZINC001134102423 1205687311 /nfs/dbraw/zinc/68/73/11/1205687311.db2.gz LHDSODXHGAWZLR-DBIOUOCHSA-N 0 3 380.367 0.036 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCCOc1ccc(F)cc1 ZINC001134117016 1205687812 /nfs/dbraw/zinc/68/78/12/1205687812.db2.gz AUCRVVIEOHTSGB-ZACQAIPSSA-N 0 3 379.432 0.594 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc(OC)c1C ZINC000815506634 1205705191 /nfs/dbraw/zinc/70/51/91/1205705191.db2.gz FDXHOORZRSLRHF-CABCVRRESA-N 0 3 377.441 0.930 20 0 GCADHN CNC(=O)Oc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000815507236 1205705385 /nfs/dbraw/zinc/70/53/85/1205705385.db2.gz ZWFKWVBIAIFGRE-DZGCQCFKSA-N 0 3 376.413 0.323 20 0 GCADHN CNC(=O)c1cc(O[C@@H]2CCCN(CCCN3C(=O)CNC3=O)C2)ccn1 ZINC001171660394 1205708782 /nfs/dbraw/zinc/70/87/82/1205708782.db2.gz YUUSCHGYSOUKML-CQSZACIVSA-N 0 3 375.429 0.226 20 0 GCADHN CCOc1ccc([C@@H]2CCCN2C(=O)CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1 ZINC001171943884 1205710686 /nfs/dbraw/zinc/71/06/86/1205710686.db2.gz WHIDGCNPJNNMRJ-ZACQAIPSSA-N 0 3 388.468 0.267 20 0 GCADHN C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001171942763 1205710812 /nfs/dbraw/zinc/71/08/12/1205710812.db2.gz LYKUIRCUMBJEAG-KCPJHIHWSA-N 0 3 396.875 0.084 20 0 GCADHN COc1ccc(OC)c([C@H](O)CNC(=O)CN[C@@H]2CCN(C3CC3)C(=O)C2)c1 ZINC001172003493 1205711025 /nfs/dbraw/zinc/71/10/25/1205711025.db2.gz YADOYLWGKBOBJQ-CXAGYDPISA-N 0 3 391.468 0.596 20 0 GCADHN CCN1CC[C@H](N2CCN(C(=O)C(C)C)C[C@@]3(CCCC(=O)N3)C2)CC1=O ZINC001172045507 1205712354 /nfs/dbraw/zinc/71/23/54/1205712354.db2.gz YHUXWIVEFGUHBF-OXJNMPFZSA-N 0 3 378.517 0.836 20 0 GCADHN CCN1CC[C@H](N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)CC1=O ZINC001172041556 1205712428 /nfs/dbraw/zinc/71/24/28/1205712428.db2.gz JBTXSVOMKVCVPW-LNLFQRSKSA-N 0 3 388.512 0.824 20 0 GCADHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172175891 1205714017 /nfs/dbraw/zinc/71/40/17/1205714017.db2.gz YCJOCPWYAFQAHS-KGLIPLIRSA-N 0 3 381.502 0.291 20 0 GCADHN CN(C)C(=O)COCc1ncn2c1CN([C@H]1CCN3C(=O)CC[C@H]3C1)CCC2 ZINC001172177022 1205714224 /nfs/dbraw/zinc/71/42/24/1205714224.db2.gz ZOFJZZYONHKVSD-HOTGVXAUSA-N 0 3 389.500 0.847 20 0 GCADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C1C[C@H]2CC[C@@H](C1)O2)C(=O)NCC(N)=O ZINC001172227536 1205714575 /nfs/dbraw/zinc/71/45/75/1205714575.db2.gz AWJCEGNYDNIYMP-QHEDDYRISA-N 0 3 394.516 0.293 20 0 GCADHN COC(=O)[C@H]1C[C@@H](NC[C@H]2CNC(=O)O2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172269945 1205714776 /nfs/dbraw/zinc/71/47/76/1205714776.db2.gz ZYUPJASPHQNGIV-FXUDXRNXSA-N 0 3 376.409 0.996 20 0 GCADHN CC[C@@H](C)OCC[C@@H](C)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001172337440 1205715537 /nfs/dbraw/zinc/71/55/37/1205715537.db2.gz KDIWNYDAUKTOLN-LMSBXDPUSA-N 0 3 379.501 0.743 20 0 GCADHN CC(C)COCC[C@@H](C)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001172464749 1205716256 /nfs/dbraw/zinc/71/62/56/1205716256.db2.gz FCESZVGOTJIPIW-NJAFHUGGSA-N 0 3 379.501 0.601 20 0 GCADHN COC(=O)[C@H]1CCC[C@H](NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001172610228 1205716321 /nfs/dbraw/zinc/71/63/21/1205716321.db2.gz IZEKBDLYWNWYII-DZKIICNBSA-N 0 3 377.441 0.226 20 0 GCADHN COC(=O)[C@@H]1CCC[C@H](N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001172614838 1205716339 /nfs/dbraw/zinc/71/63/39/1205716339.db2.gz YTVHETLNAASMAV-ORQFMDKSSA-N 0 3 375.469 0.909 20 0 GCADHN COC(=O)N1CCC(N2Cc3ccnn3C[C@H](COCC(=O)N(C)C)C2)CC1 ZINC001172740115 1205717364 /nfs/dbraw/zinc/71/73/64/1205717364.db2.gz WJHZFRSDJCRTNH-OAHLLOKOSA-N 0 3 393.488 0.651 20 0 GCADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172860566 1205717571 /nfs/dbraw/zinc/71/75/71/1205717571.db2.gz MFUPIQNQZGKIOZ-NSHDSACASA-N 0 3 387.839 0.795 20 0 GCADHN CCN1CC[C@@H](N[C@@H](CC(N)=O)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)C1 ZINC001173354219 1205719610 /nfs/dbraw/zinc/71/96/10/1205719610.db2.gz LVADLJHXSRYWSS-ZBFHGGJFSA-N 0 3 386.452 0.968 20 0 GCADHN CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@H](CO)C(N)=O)C[C@@H]1C(=O)OC(C)(C)C ZINC001173372596 1205720034 /nfs/dbraw/zinc/72/00/34/1205720034.db2.gz JGSQCBBMHSAVFL-RFQIPJPRSA-N 0 3 386.489 0.891 20 0 GCADHN CC(C)(C)OC(=O)[C@@H]1CC[C@H](N[C@@H](CO)C(N)=O)C[C@@H]1C(=O)OC(C)(C)C ZINC001173372592 1205720120 /nfs/dbraw/zinc/72/01/20/1205720120.db2.gz JGSQCBBMHSAVFL-CRWXNKLISA-N 0 3 386.489 0.891 20 0 GCADHN COC(=O)[C@@H]1C[C@H](NCC(=O)N2CCOCC2)CCN1C(=O)c1ccccc1 ZINC001173487363 1205722257 /nfs/dbraw/zinc/72/22/57/1205722257.db2.gz KIUGRWUDSWKCKX-SJORKVTESA-N 0 3 389.452 0.281 20 0 GCADHN CC[C@]1(C(=O)OC)C[C@@H](NS(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001173539375 1205722512 /nfs/dbraw/zinc/72/25/12/1205722512.db2.gz IGVKGFDPODJMNN-IAQYHMDHSA-N 0 3 379.479 0.196 20 0 GCADHN CC[C@@]1(C(=O)OC)C[C@@H](N(C)S(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001173538051 1205723469 /nfs/dbraw/zinc/72/34/69/1205723469.db2.gz DMUHVPPUBVFKGA-WBMJQRKESA-N 0 3 393.506 0.538 20 0 GCADHN COC(=O)[C@@H]1C[C@H](n2nc(C(=O)NC(C)C)c3c2CCNC3)C[C@@H]1C(=O)OC ZINC001173576492 1205724683 /nfs/dbraw/zinc/72/46/83/1205724683.db2.gz JAAITAXIJFACNM-CLLJXQQHSA-N 0 3 392.456 0.580 20 0 GCADHN Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC2CCOCC2)c1C ZINC001095244834 1205725842 /nfs/dbraw/zinc/72/58/42/1205725842.db2.gz WNVQOONUVPQMSV-PMPSAXMXSA-N 0 3 375.473 0.657 20 0 GCADHN Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCO[C@@H](C)C2)c1C ZINC001095251699 1205726374 /nfs/dbraw/zinc/72/63/74/1205726374.db2.gz QVDMRXFARUTWIH-MWNCTCPHSA-N 0 3 375.473 0.609 20 0 GCADHN COc1cc(OC)nc(CN2CCN([C@@H]3CCC[C@H](n4ncnn4)C3)CC2)n1 ZINC001173759041 1205728049 /nfs/dbraw/zinc/72/80/49/1205728049.db2.gz IGRCMCXJMUTZIW-CABCVRRESA-N 0 3 388.476 0.782 20 0 GCADHN O=C(N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001175180253 1205735959 /nfs/dbraw/zinc/73/59/59/1205735959.db2.gz OFEHEJQBHIAXKW-UKPHBRMFSA-N 0 3 394.497 0.211 20 0 GCADHN COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)cc1-n1cnnn1 ZINC001175180749 1205736106 /nfs/dbraw/zinc/73/61/06/1205736106.db2.gz QVDQZJJQWNJCBC-CVEARBPZSA-N 0 3 386.456 0.779 20 0 GCADHN CN(CCCN1CCN(c2ccccc2)CC1)Cc1nnc2n1CCNC2=O ZINC001176078786 1205743640 /nfs/dbraw/zinc/74/36/40/1205743640.db2.gz UYKMNWYYANXWFK-UHFFFAOYSA-N 0 3 383.500 0.666 20 0 GCADHN CCCC[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccnn1C ZINC001110193045 1205744568 /nfs/dbraw/zinc/74/45/68/1205744568.db2.gz NBNFLNMSEHSNOV-QZWWFDLISA-N 0 3 376.505 0.911 20 0 GCADHN CN(C[C@@](C)(O)CN1CCC(O)(COCCO)CC1)C(=O)OC(C)(C)C ZINC001176272323 1205745584 /nfs/dbraw/zinc/74/55/84/1205745584.db2.gz HBZYCEKODYMCHX-QGZVFWFLSA-N 0 3 376.494 0.440 20 0 GCADHN CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCc1cccc(N2CCN(C)CC2)c1 ZINC001176379490 1205746218 /nfs/dbraw/zinc/74/62/18/1205746218.db2.gz AABMEFSRCOCQEY-LJQANCHMSA-N 0 3 384.484 0.525 20 0 GCADHN CC(C)Cn1c(N)c(C(=O)CN[C@H](CCO)C2CCCC2)c(=O)n(C)c1=O ZINC001176505945 1205748656 /nfs/dbraw/zinc/74/86/56/1205748656.db2.gz XGADKYIADKERCJ-CQSZACIVSA-N 0 3 380.489 0.499 20 0 GCADHN CNC(=O)c1cccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)c1C ZINC000148603239 1205748855 /nfs/dbraw/zinc/74/88/55/1205748855.db2.gz HCNUYSALGIUWRW-UHFFFAOYSA-N 0 3 376.457 0.520 20 0 GCADHN O=C(CN1CC[C@@H]2[C@H]1CCCN2CCO)NC(=O)Nc1ccc2c(c1)OCO2 ZINC001176808757 1205754762 /nfs/dbraw/zinc/75/47/62/1205754762.db2.gz RWWMQCIGTYBDJU-HUUCEWRRSA-N 0 3 390.440 0.594 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000773608594 1205760342 /nfs/dbraw/zinc/76/03/42/1205760342.db2.gz MHHUCJSOTULDQL-JKSUJKDBSA-N 0 3 382.505 0.914 20 0 GCADHN CN(C1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)OC(C)(C)C)C1)[C@H]1CCOC1 ZINC001177086303 1205761974 /nfs/dbraw/zinc/76/19/74/1205761974.db2.gz HFJLLXQOTNHXGM-HOCLYGCPSA-N 0 3 393.488 0.777 20 0 GCADHN CCc1nccn1CCNC(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1 ZINC001177509719 1205770870 /nfs/dbraw/zinc/77/08/70/1205770870.db2.gz FDYUDGSTHAXDIM-UHFFFAOYSA-N 0 3 383.338 0.902 20 0 GCADHN CS(=O)(=O)N1CCN(CCNCc2cnc(-c3ccccc3)nc2)CC1 ZINC001177733727 1205775559 /nfs/dbraw/zinc/77/55/59/1205775559.db2.gz RIHPHKHCGPBNNX-UHFFFAOYSA-N 0 3 375.498 0.810 20 0 GCADHN CS(=O)(=O)N1CCN(CCNCc2ccc(Br)cn2)CC1 ZINC001177733689 1205775563 /nfs/dbraw/zinc/77/55/63/1205775563.db2.gz PHAUZDDFWVAGOX-UHFFFAOYSA-N 0 3 377.308 0.511 20 0 GCADHN O=C(C1CN(c2cnccn2)C1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001178091989 1205782599 /nfs/dbraw/zinc/78/25/99/1205782599.db2.gz NWFVLLJOQKQCBI-OALUTQOASA-N 0 3 394.479 0.810 20 0 GCADHN COc1cnc(F)c(CC(=O)n2ccc(=NCCN3CCOCC3)c(N)c2)c1 ZINC001178423954 1205787232 /nfs/dbraw/zinc/78/72/32/1205787232.db2.gz FYDCFWSSGGPMTL-UHFFFAOYSA-N 0 3 389.431 0.729 20 0 GCADHN CN(Cc1cccc(C(N)=O)c1)CC(O)CN(C)Cc1cccc(C(N)=O)c1 ZINC000773746655 1205789188 /nfs/dbraw/zinc/78/91/88/1205789188.db2.gz NDNUVJUTMHALDW-UHFFFAOYSA-N 0 3 384.480 0.809 20 0 GCADHN O=C(CSCc1cc(=O)n2ccsc2n1)N1CC(N[C@@H]2CCOC2)C1 ZINC001179007640 1205799238 /nfs/dbraw/zinc/79/92/38/1205799238.db2.gz BBAGDAHMANGJFR-LLVKDONJSA-N 0 3 380.495 0.579 20 0 GCADHN NS(=O)(=O)c1cccc2c1ccnc2C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001179008507 1205799442 /nfs/dbraw/zinc/79/94/42/1205799442.db2.gz LXGZWYWXZLLQSP-NSHDSACASA-N 0 3 376.438 0.085 20 0 GCADHN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008986 1205799446 /nfs/dbraw/zinc/79/94/46/1205799446.db2.gz WDVLPYVLAJUYNO-QGZVFWFLSA-N 0 3 386.496 0.705 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001179056467 1205800349 /nfs/dbraw/zinc/80/03/49/1205800349.db2.gz RLDIOTIASKLFIW-SPYBWZPUSA-N 0 3 385.505 0.783 20 0 GCADHN COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccccc1OC ZINC001110227158 1205801428 /nfs/dbraw/zinc/80/14/28/1205801428.db2.gz NPFLCVHTAWJESS-XDNAFOTISA-N 0 3 378.469 0.941 20 0 GCADHN CN(C)C1CN(C(=O)[C@H]2CN(C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)C1 ZINC001179150415 1205804128 /nfs/dbraw/zinc/80/41/28/1205804128.db2.gz LHESTNLQTGWHFH-MRXNPFEDSA-N 0 3 396.532 0.859 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCc2nc(C(C)C)no2)CC1 ZINC000069455541 1205812692 /nfs/dbraw/zinc/81/26/92/1205812692.db2.gz HDCMHSQFSXYNSX-UHFFFAOYSA-N 0 3 380.493 0.931 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@](O)(CNCc2ccc(S(N)(=O)=O)s2)C1 ZINC001179713079 1205813496 /nfs/dbraw/zinc/81/34/96/1205813496.db2.gz PSIIRRQOKUBDKV-HNNXBMFYSA-N 0 3 391.515 0.857 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)CCCC(=O)N1CC(=O)Nc2ccccc21 ZINC001180096943 1205817401 /nfs/dbraw/zinc/81/74/01/1205817401.db2.gz CIYGMYJNRLOURK-OAHLLOKOSA-N 0 3 388.468 0.931 20 0 GCADHN CCN(CC)CC(=O)N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1 ZINC001180386715 1205823351 /nfs/dbraw/zinc/82/33/51/1205823351.db2.gz AOWGPAOOLJTKIP-KRWDZBQOSA-N 0 3 393.532 0.537 20 0 GCADHN C[C@@H](C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21)N1CCCC1 ZINC001180578598 1205826174 /nfs/dbraw/zinc/82/61/74/1205826174.db2.gz GZIUGMAVMGVRCK-IMBTUZDBSA-N 0 3 379.501 0.868 20 0 GCADHN CN(CC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21)C1CCCC1 ZINC001180626075 1205827695 /nfs/dbraw/zinc/82/76/95/1205827695.db2.gz CMVRVLQTKBFFGK-UHFFFAOYSA-N 0 3 376.461 0.333 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)C1 ZINC001180681159 1205829773 /nfs/dbraw/zinc/82/97/73/1205829773.db2.gz FBGJXNOZGUUWMX-INIZCTEOSA-N 0 3 397.483 0.958 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001180804258 1205833494 /nfs/dbraw/zinc/83/34/94/1205833494.db2.gz RIDGXSJJINXWHT-QGZVFWFLSA-N 0 3 395.525 0.876 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001181993898 1205852864 /nfs/dbraw/zinc/85/28/64/1205852864.db2.gz GHMHRAMHEPENGK-JXFKEZNVSA-N 0 3 378.517 0.790 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(C1)COCCN(CC(=O)NC)C2 ZINC001181991545 1205852954 /nfs/dbraw/zinc/85/29/54/1205852954.db2.gz ALAYOTWEDQZRQT-FXAWDEMLSA-N 0 3 380.533 0.548 20 0 GCADHN CN1CCC(O)(C(=O)N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)CC1 ZINC001182030686 1205853721 /nfs/dbraw/zinc/85/37/21/1205853721.db2.gz FHLXMLJYBKHQBR-YESZJQIVSA-N 0 3 375.469 0.923 20 0 GCADHN CN1CCC(O)(C(=O)N2Cc3cncn3C[C@@H](COc3cccnc3)C2)CC1 ZINC001182030478 1205853782 /nfs/dbraw/zinc/85/37/82/1205853782.db2.gz DERXJQAJPIJGJG-INIZCTEOSA-N 0 3 385.468 0.772 20 0 GCADHN CN1CCC(O)(C(=O)N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)CC1 ZINC001182031933 1205853794 /nfs/dbraw/zinc/85/37/94/1205853794.db2.gz QLSOVXBQWMEZMJ-ZWKOTPCHSA-N 0 3 387.480 0.443 20 0 GCADHN CN1CCC(O)(C(=O)NC[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O2)CC1 ZINC001182033126 1205854044 /nfs/dbraw/zinc/85/40/44/1205854044.db2.gz KZSIQIRKUDFRFJ-KFWWJZLASA-N 0 3 383.489 0.584 20 0 GCADHN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1(O)CCN(C)CC1 ZINC001182036885 1205854216 /nfs/dbraw/zinc/85/42/16/1205854216.db2.gz LOGREFAJTUAIDS-HOTGVXAUSA-N 0 3 399.532 0.678 20 0 GCADHN COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C1(O)CCN(C)CC1 ZINC001182034790 1205854307 /nfs/dbraw/zinc/85/43/07/1205854307.db2.gz UZEIFHPLKIDUMD-GOSISDBHSA-N 0 3 389.496 0.719 20 0 GCADHN COC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(C(=O)C2(O)CCN(C)CC2)C1 ZINC001182034779 1205854311 /nfs/dbraw/zinc/85/43/11/1205854311.db2.gz URCDDFMNEHHYFP-KRWDZBQOSA-N 0 3 385.461 0.112 20 0 GCADHN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001182033863 1205854360 /nfs/dbraw/zinc/85/43/60/1205854360.db2.gz ZXMKZYORZHDMST-SFHVURJKSA-N 0 3 399.495 0.914 20 0 GCADHN C[C@H]1C(=O)OC[C@@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001182086856 1205854776 /nfs/dbraw/zinc/85/47/76/1205854776.db2.gz MAZKGARPAMKXHE-KBXIAJHMSA-N 0 3 381.473 0.853 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)Cc2c(C)noc2C)CC1 ZINC000774177112 1205865552 /nfs/dbraw/zinc/86/55/52/1205865552.db2.gz GRNSMEGSYWQRFP-CQSZACIVSA-N 0 3 379.505 0.640 20 0 GCADHN Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cc2)o1 ZINC000774254782 1205867305 /nfs/dbraw/zinc/86/73/05/1205867305.db2.gz UOSOBDHKIBMIDV-HZPDHXFCSA-N 0 3 385.424 0.963 20 0 GCADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2CCCN2CC2CC2)C1 ZINC001182554596 1205875774 /nfs/dbraw/zinc/87/57/74/1205875774.db2.gz WINKDNKKKFJIDF-AEFFLSMTSA-N 0 3 389.500 0.479 20 0 GCADHN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1CCCN1CC1CC1)C2 ZINC001182556892 1205875882 /nfs/dbraw/zinc/87/58/82/1205875882.db2.gz NQLLXUCXUMWZTF-HNNXBMFYSA-N 0 3 390.488 0.100 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)NC3(C(N)=O)CC3)CC2)C1 ZINC001183157682 1205888754 /nfs/dbraw/zinc/88/87/54/1205888754.db2.gz NEBUEVPTCKLQKT-CQSZACIVSA-N 0 3 380.489 0.842 20 0 GCADHN CNC(=O)[C@H](C)NC(=O)C1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183159387 1205888901 /nfs/dbraw/zinc/88/89/01/1205888901.db2.gz HGNODPDLAULHTN-ZFWWWQNUSA-N 0 3 382.505 0.959 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)NC[C@H]3CNC(=O)O3)CC2)C1 ZINC001183166554 1205888990 /nfs/dbraw/zinc/88/89/90/1205888990.db2.gz CCTBHPQCGFJCKS-GJZGRUSLSA-N 0 3 396.488 0.932 20 0 GCADHN CC(C)(C)OC(=O)N1CCC(=O)[C@H](C(=O)N(c2ncccn2)C2CNC2)C1 ZINC001183314180 1205890962 /nfs/dbraw/zinc/89/09/62/1205890962.db2.gz SAIPGLFMNWMTEN-CYBMUJFWSA-N 0 3 375.429 0.608 20 0 GCADHN CC(C)[C@H](C(=O)N1CCO[C@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21)N(C)C ZINC001183360839 1205891453 /nfs/dbraw/zinc/89/14/53/1205891453.db2.gz TUZBTMYNCGKZLC-QFHJOOASSA-N 0 3 381.517 0.970 20 0 GCADHN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H](C(C)C)N(C)C ZINC001183360881 1205891494 /nfs/dbraw/zinc/89/14/94/1205891494.db2.gz UWKWBSZQOMQDJY-RHSMWYFYSA-N 0 3 375.477 0.622 20 0 GCADHN C[C@]1(O)C=C[C@H](O)C(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)=C1 ZINC001183537027 1205895455 /nfs/dbraw/zinc/89/54/55/1205895455.db2.gz KCTKGSOJBSDMRO-PXNSSMCTSA-N 0 3 396.451 0.308 20 0 GCADHN C[C@]1(O)C=C[C@@H](O)C(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)=C1 ZINC001183537028 1205895521 /nfs/dbraw/zinc/89/55/21/1205895521.db2.gz KCTKGSOJBSDMRO-XLIONFOSSA-N 0 3 396.451 0.308 20 0 GCADHN C[C@@]1(O)C=C[C@H](O)C(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)=C1 ZINC001183537026 1205895572 /nfs/dbraw/zinc/89/55/72/1205895572.db2.gz KCTKGSOJBSDMRO-FXAWDEMLSA-N 0 3 396.451 0.308 20 0 GCADHN CN(CC(=O)NC1(CO)CCN(C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183816739 1205900483 /nfs/dbraw/zinc/90/04/83/1205900483.db2.gz JZMNJOVUHLEPGJ-INIZCTEOSA-N 0 3 398.548 0.891 20 0 GCADHN CN(CC(=O)N[C@@H](CO)Cc1cnc[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814195 1205900598 /nfs/dbraw/zinc/90/05/98/1205900598.db2.gz BPYWSHWNPZDKAR-CVEARBPZSA-N 0 3 395.504 0.761 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)C[C@@H]1CCCCN1C(C)=O)CC2 ZINC001184121683 1205905188 /nfs/dbraw/zinc/90/51/88/1205905188.db2.gz CHPUVAWZQLXDNZ-KRWDZBQOSA-N 0 3 378.517 0.981 20 0 GCADHN CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)NCCc1cnc2cc[nH]cc1-2 ZINC001184421063 1205910309 /nfs/dbraw/zinc/91/03/09/1205910309.db2.gz HKBDARSPQREYER-QUCCMNQESA-N 0 3 394.431 0.970 20 0 GCADHN CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)NCCc1c[nH]c2ccncc12 ZINC001184421063 1205910310 /nfs/dbraw/zinc/91/03/10/1205910310.db2.gz HKBDARSPQREYER-QUCCMNQESA-N 0 3 394.431 0.970 20 0 GCADHN CC(C)(C)NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184423993 1205910421 /nfs/dbraw/zinc/91/04/21/1205910421.db2.gz GRYYCXPYDTYYDM-ULSDXFBPSA-N 0 3 378.473 0.225 20 0 GCADHN CC(C)(C)CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001184483984 1205911094 /nfs/dbraw/zinc/91/10/94/1205911094.db2.gz ZYEJBJLDZZRRHM-UIBIWLFHSA-N 0 3 381.517 0.781 20 0 GCADHN C[C@H]1C[C@H]1c1ncc(C(=O)n2ccc(=NCCN3CCOCC3)c(N)c2)cn1 ZINC001185114261 1205917183 /nfs/dbraw/zinc/91/71/83/1205917183.db2.gz GBLYMEHYWTWNKD-GOEBONIOSA-N 0 3 382.468 0.905 20 0 GCADHN CC(C)(C)OC(=O)N1CC(=O)CC[C@H]1C(=O)N(c1ncccn1)C1CNC1 ZINC001185505622 1205923034 /nfs/dbraw/zinc/92/30/34/1205923034.db2.gz KLASARIXYGPFKB-AWEZNQCLSA-N 0 3 375.429 0.750 20 0 GCADHN CC[NH+](CC)CCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185566298 1205924226 /nfs/dbraw/zinc/92/42/26/1205924226.db2.gz LDCXEQBGCLDAFY-UHFFFAOYSA-N 0 3 393.517 0.515 20 0 GCADHN CC[NH+](CC)CCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185566298 1205924228 /nfs/dbraw/zinc/92/42/28/1205924228.db2.gz LDCXEQBGCLDAFY-UHFFFAOYSA-N 0 3 393.517 0.515 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@]2(CCCN(S(=O)(=O)N(C)C)C2)C1)N1CCCC1 ZINC001273505005 1205924728 /nfs/dbraw/zinc/92/47/28/1205924728.db2.gz QTTHLPHBIIEXOV-WMZOPIPTSA-N 0 3 386.562 0.982 20 0 GCADHN COC(=O)N1CCC[C@@H](NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000774923294 1205929079 /nfs/dbraw/zinc/92/90/79/1205929079.db2.gz MIHAOCKKEPDXFK-SJORKVTESA-N 0 3 390.484 0.623 20 0 GCADHN O=C(CN1CC[C@@H](O)C1)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001186038178 1205933598 /nfs/dbraw/zinc/93/35/98/1205933598.db2.gz NPHJOWHGBNJKLW-OAHLLOKOSA-N 0 3 386.500 0.285 20 0 GCADHN CC(C)(C)OC(=O)N1CCN2C[C@@H](CNC(=O)CN3CC[C@H](O)C3)C[C@H]2C1 ZINC001186047648 1205934059 /nfs/dbraw/zinc/93/40/59/1205934059.db2.gz ATPHQLRAEPVQNB-PMPSAXMXSA-N 0 3 382.505 0.110 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCC[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC001186277070 1205937242 /nfs/dbraw/zinc/93/72/42/1205937242.db2.gz AXGZEJZLLBQDLB-SECBINFHSA-N 0 3 383.396 0.294 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCC[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC001186277070 1205937245 /nfs/dbraw/zinc/93/72/45/1205937245.db2.gz AXGZEJZLLBQDLB-SECBINFHSA-N 0 3 383.396 0.294 20 0 GCADHN CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)N[C@]1(C)CCCN(C)C1)C(C)C ZINC001186620927 1205943570 /nfs/dbraw/zinc/94/35/70/1205943570.db2.gz RCIMVPACBOEUDT-RLFYNMQTSA-N 0 3 386.562 0.595 20 0 GCADHN CS(=O)(=O)c1cc(Br)ccc1C(=O)n1cnc(CN)cc1=N ZINC001186822713 1205949847 /nfs/dbraw/zinc/94/98/47/1205949847.db2.gz HTHAGIRDXRELAC-UHFFFAOYSA-N 0 3 385.243 0.676 20 0 GCADHN NC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001111505171 1205969154 /nfs/dbraw/zinc/96/91/54/1205969154.db2.gz HVIFNXVCRPOMHU-WTTBNOFXSA-N 0 3 379.457 0.534 20 0 GCADHN Cc1nnsc1C(=O)N1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001187876403 1205971104 /nfs/dbraw/zinc/97/11/04/1205971104.db2.gz HFXXNMQGKCOPGE-UHFFFAOYSA-N 0 3 380.518 0.157 20 0 GCADHN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001187951362 1205972355 /nfs/dbraw/zinc/97/23/55/1205972355.db2.gz CGRRWQJEFILHTN-FCGDIQPGSA-N 0 3 388.512 0.696 20 0 GCADHN CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccco1 ZINC001110397474 1205974381 /nfs/dbraw/zinc/97/43/81/1205974381.db2.gz KTRDAPXGUKZAHT-SRABZTEZSA-N 0 3 379.457 0.405 20 0 GCADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3cccc(F)n3)CC2)C1=O ZINC001188714469 1205990242 /nfs/dbraw/zinc/99/02/42/1205990242.db2.gz SQLRVLIRJWTTPP-UHFFFAOYSA-N 0 3 377.464 0.531 20 0 GCADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(CCOCC4CC4)C[C@H]32)O1 ZINC001189117355 1205995409 /nfs/dbraw/zinc/99/54/09/1205995409.db2.gz JGALBFXAOBPGBZ-XWTMOSNGSA-N 0 3 379.501 0.582 20 0 GCADHN COc1cc(OC)nc(C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)n1 ZINC001189232563 1205999952 /nfs/dbraw/zinc/99/99/52/1205999952.db2.gz OYWRFFNIKTWWAH-UHFFFAOYSA-N 0 3 399.451 0.744 20 0 GCADHN Cc1nc(N)sc1C(=O)N1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001189282217 1206001326 /nfs/dbraw/zinc/00/13/26/1206001326.db2.gz GSOVOALYUZILQF-UHFFFAOYSA-N 0 3 394.545 0.344 20 0 GCADHN O=C(NCc1ccc(OC(F)F)cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000775234576 1206002028 /nfs/dbraw/zinc/00/20/28/1206002028.db2.gz RGZYPQFHEFRSBY-DZGCQCFKSA-N 0 3 383.395 0.884 20 0 GCADHN CN(C)CCN1CCN(S(=O)(=O)Cc2cccc(F)c2F)CCC1=O ZINC001189445990 1206007115 /nfs/dbraw/zinc/00/71/15/1206007115.db2.gz TVYLSBGAUGCHKA-UHFFFAOYSA-N 0 3 375.441 0.891 20 0 GCADHN Cn1ccc(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)cc1=O ZINC001189642285 1206012415 /nfs/dbraw/zinc/01/24/15/1206012415.db2.gz MHMUAYYUOBJGRR-UHFFFAOYSA-N 0 3 379.424 0.712 20 0 GCADHN CCOC(=O)CC[C@H](NC(=O)N1C[C@@H]2CN(CC)CCO[C@@H]2C1)C(=O)OCC ZINC001190452850 1206035353 /nfs/dbraw/zinc/03/53/53/1206035353.db2.gz WMMFYBXYZPUAIM-HRCADAONSA-N 0 3 399.488 0.624 20 0 GCADHN CCOC(=O)CC[C@H](NC(=O)N1CCN2C[C@H](OCC)C[C@H]2C1)C(=O)OCC ZINC001190451840 1206035391 /nfs/dbraw/zinc/03/53/91/1206035391.db2.gz GWITWFVYTMRSGE-XHSDSOJGSA-N 0 3 399.488 0.766 20 0 GCADHN COC(=O)[C@H](C)NC(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001190532491 1206037287 /nfs/dbraw/zinc/03/72/87/1206037287.db2.gz QCWDABYYVQXMIE-ZDUSSCGKSA-N 0 3 377.445 0.316 20 0 GCADHN CN(C)c1cncc(C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)n1 ZINC001190736089 1206044885 /nfs/dbraw/zinc/04/48/85/1206044885.db2.gz UQBGYWLAXZMDMA-UHFFFAOYSA-N 0 3 382.468 0.793 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CCN4C(=O)COC[C@H]4C3)cc2)CC1 ZINC001190850068 1206048585 /nfs/dbraw/zinc/04/85/85/1206048585.db2.gz VNSLJTGLAOIPGE-LJQANCHMSA-N 0 3 386.496 0.507 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CCN(c4ncncn4)CC3)cc2)CC1 ZINC001190849575 1206048612 /nfs/dbraw/zinc/04/86/12/1206048612.db2.gz KVYIVERPEIDBEF-UHFFFAOYSA-N 0 3 395.511 0.972 20 0 GCADHN O=C(c1[nH]ncc1Cl)N1CC[C@]2(CCN(CCN3CCOCC3)C2=O)C1 ZINC001273612760 1206053719 /nfs/dbraw/zinc/05/37/19/1206053719.db2.gz YTQZMHSJENXGPI-QGZVFWFLSA-N 0 3 381.864 0.460 20 0 GCADHN CCOC(=O)c1cnc(C(F)(F)N2CCNC(=O)C23CNC3)nc1Cl ZINC001164410500 718878023 /nfs/dbraw/zinc/87/80/23/718878023.db2.gz BZNDSCAOCHKYNG-UHFFFAOYSA-N 0 3 375.763 0.130 20 0 GCADHN CC(C)CN1CCN(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)CC1 ZINC001164652352 719330913 /nfs/dbraw/zinc/33/09/13/719330913.db2.gz KVYLEZNSXMWXKZ-UHFFFAOYSA-N 0 3 390.532 0.928 20 0 GCADHN COc1cc(N2Cc3nccn3C[C@@H](CN(C)C)C2)nc(S(C)(=O)=O)n1 ZINC001164726779 720515791 /nfs/dbraw/zinc/51/57/91/720515791.db2.gz DTAAPQBDZCVTJI-GFCCVEGCSA-N 0 3 380.474 0.283 20 0 GCADHN COC(=O)c1c[nH]c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164742612 720719170 /nfs/dbraw/zinc/71/91/70/720719170.db2.gz WACUZZSLRZWBLY-STQMWFEESA-N 0 3 395.423 0.876 20 0 GCADHN c1ncn(Cc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2)n1 ZINC001164739932 720761960 /nfs/dbraw/zinc/76/19/60/720761960.db2.gz JYIFPYFBCAMQQJ-IRXDYDNUSA-N 0 3 378.440 0.853 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865010 721077321 /nfs/dbraw/zinc/07/73/21/721077321.db2.gz HXPMDMFROUEEJJ-JKSUJKDBSA-N 0 3 389.481 0.604 20 0 GCADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(N5CCN(C)CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762664 721079627 /nfs/dbraw/zinc/07/96/27/721079627.db2.gz FFHBNUDWHSDLMH-MOPGFXCFSA-N 0 3 396.543 0.920 20 0 GCADHN NS(=O)(=O)c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164878544 721165183 /nfs/dbraw/zinc/16/51/83/721165183.db2.gz QMBYKBZUYCQXTK-HOTGVXAUSA-N 0 3 389.481 0.604 20 0 GCADHN Cn1cc(CN2CC[C@@H]3CN(c4ccnc(N5CCN(C)CC5)n4)C[C@H]3C2)cn1 ZINC001164762510 721222895 /nfs/dbraw/zinc/22/28/95/721222895.db2.gz CNBVPRSTNZURKX-RTBURBONSA-N 0 3 396.543 0.920 20 0 GCADHN Cn1cc(CN2CC[C@@H]3CN(c4ccnc(N5CCN(C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164762499 721223047 /nfs/dbraw/zinc/22/30/47/721223047.db2.gz CNBVPRSTNZURKX-MOPGFXCFSA-N 0 3 396.543 0.920 20 0 GCADHN Cn1cc(CN2CC[C@@H]3CN(c4cccc(S(N)(=O)=O)n4)C[C@H]3C2)cn1 ZINC001164759725 721244420 /nfs/dbraw/zinc/24/44/20/721244420.db2.gz BCROHCDAGHEWOT-HUUCEWRRSA-N 0 3 376.486 0.421 20 0 GCADHN c1cncc(CN2CCOC[C@]3(CN(c4ncc5c(n4)CCNC5)CCO3)C2)c1 ZINC001164912866 721773728 /nfs/dbraw/zinc/77/37/28/721773728.db2.gz RCHBRQHXFGOTAO-OAQYLSRUSA-N 0 3 396.495 0.625 20 0 GCADHN c1cncc(CN2CCOC[C@@]3(CN(c4cc5c(nn4)CCNC5)CCO3)C2)c1 ZINC001164916625 721789816 /nfs/dbraw/zinc/78/98/16/721789816.db2.gz RETJAYHVTMYGDK-NRFANRHFSA-N 0 3 396.495 0.625 20 0 GCADHN CN(C)Cc1ccnc(N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)c1 ZINC001164992303 722189050 /nfs/dbraw/zinc/18/90/50/722189050.db2.gz ZSWRIYJZJSTMBY-UHFFFAOYSA-N 0 3 383.496 0.998 20 0 GCADHN CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)nn1 ZINC001571257583 945342444 /nfs/dbraw/zinc/34/24/44/945342444.db2.gz GKBSUQZQFOXDNX-LBPRGKRZSA-N 0 3 385.407 0.622 20 0 GCADHN CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)nn1 ZINC001571257582 945343412 /nfs/dbraw/zinc/34/34/12/945343412.db2.gz GKBSUQZQFOXDNX-GFCCVEGCSA-N 0 3 385.407 0.622 20 0 GCADHN Cn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(-c4nn[n-]n4)ccc3F)C2)nn1 ZINC001571258509 945355739 /nfs/dbraw/zinc/35/57/39/945355739.db2.gz UMHCNDGVXBVFHS-MJHDQNEOSA-N 0 3 385.407 0.433 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)C[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571258866 945367007 /nfs/dbraw/zinc/36/70/07/945367007.db2.gz DGRKSEONLDMPRB-DOMZBBRYSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)C[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571258866 945367018 /nfs/dbraw/zinc/36/70/18/945367018.db2.gz DGRKSEONLDMPRB-DOMZBBRYSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)C[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571258866 945367033 /nfs/dbraw/zinc/36/70/33/945367033.db2.gz DGRKSEONLDMPRB-DOMZBBRYSA-N 0 3 385.428 0.255 20 0 GCADHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)C[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571258866 945367045 /nfs/dbraw/zinc/36/70/45/945367045.db2.gz DGRKSEONLDMPRB-DOMZBBRYSA-N 0 3 385.428 0.255 20 0 GCADHN O=C(NC[C@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F)C12CC[NH+](CC1)C2 ZINC001571260423 945414160 /nfs/dbraw/zinc/41/41/60/945414160.db2.gz SGLBZMPOUCCMEQ-OAHLLOKOSA-N 0 3 385.447 0.792 20 0 GCADHN CCN1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571264426 945483307 /nfs/dbraw/zinc/48/33/07/945483307.db2.gz OLTHDRTWXISZRA-DOTOQJQBSA-N 0 3 385.472 0.278 20 0 GCADHN CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)[NH+](C)C ZINC001571266410 945541971 /nfs/dbraw/zinc/54/19/71/945541971.db2.gz QEQSKJGEXFMFGW-ZENOOKHLSA-N 0 3 385.476 0.423 20 0 GCADHN CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)[NH+](C)C ZINC001571266502 945544815 /nfs/dbraw/zinc/54/48/15/945544815.db2.gz SDKRNSFHZRRXOR-GUTXKFCHSA-N 0 3 385.476 0.567 20 0 GCADHN CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266600 945547009 /nfs/dbraw/zinc/54/70/09/945547009.db2.gz VETARTOKAKFEPU-UKRRQHHQSA-N 0 3 385.476 0.790 20 0 GCADHN CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266600 945547012 /nfs/dbraw/zinc/54/70/12/945547012.db2.gz VETARTOKAKFEPU-UKRRQHHQSA-N 0 3 385.476 0.790 20 0 GCADHN CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[NH+]1CCCCC1 ZINC001571266604 945547400 /nfs/dbraw/zinc/54/74/00/945547400.db2.gz VGIPMUZRLVEPCT-UHFFFAOYSA-N 0 3 385.476 0.570 20 0 GCADHN C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820752519 945549216 /nfs/dbraw/zinc/54/92/16/945549216.db2.gz NXCCQARRCPOJQA-BBRMVZONSA-N 0 3 397.487 0.576 20 0 GCADHN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820752519 945549219 /nfs/dbraw/zinc/54/92/19/945549219.db2.gz NXCCQARRCPOJQA-BBRMVZONSA-N 0 3 397.487 0.576 20 0 GCADHN C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001571266812 945554479 /nfs/dbraw/zinc/55/44/79/945554479.db2.gz ZPDZNROPEIBPSG-CHWSQXEVSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001571267092 945560281 /nfs/dbraw/zinc/56/02/81/945560281.db2.gz IZGJKEWTRMMJMW-ZWNOBZJWSA-N 0 3 386.391 0.887 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001571267092 945560288 /nfs/dbraw/zinc/56/02/88/945560288.db2.gz IZGJKEWTRMMJMW-ZWNOBZJWSA-N 0 3 386.391 0.887 20 0 GCADHN COC(=O)c1cccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)c1-c1nnn[n-]1 ZINC001571267837 945580208 /nfs/dbraw/zinc/58/02/08/945580208.db2.gz GFYIMHFYPZZTTC-CQSZACIVSA-N 0 3 386.412 0.038 20 0 GCADHN O=C(N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)C12CC[NH+](CC1)C2 ZINC001571268996 945610131 /nfs/dbraw/zinc/61/01/31/945610131.db2.gz MBXNQZNHYMSCHH-CYBMUJFWSA-N 0 3 386.435 0.900 20 0 GCADHN O=C(N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)C12CC[NH+](CC1)C2 ZINC001571268996 945610134 /nfs/dbraw/zinc/61/01/34/945610134.db2.gz MBXNQZNHYMSCHH-CYBMUJFWSA-N 0 3 386.435 0.900 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001571272196 945655478 /nfs/dbraw/zinc/65/54/78/945655478.db2.gz AVEZCYXDJSJKOD-GFCCVEGCSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001571272196 945655484 /nfs/dbraw/zinc/65/54/84/945655484.db2.gz AVEZCYXDJSJKOD-GFCCVEGCSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001571272196 945655493 /nfs/dbraw/zinc/65/54/93/945655493.db2.gz AVEZCYXDJSJKOD-GFCCVEGCSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001571272196 945655497 /nfs/dbraw/zinc/65/54/97/945655497.db2.gz AVEZCYXDJSJKOD-GFCCVEGCSA-N 0 3 386.460 0.257 20 0 GCADHN CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001571272199 945658491 /nfs/dbraw/zinc/65/84/91/945658491.db2.gz AVHXWTXEASSGIA-ZDUSSCGKSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001571272198 945658783 /nfs/dbraw/zinc/65/87/83/945658783.db2.gz AVHXWTXEASSGIA-CYBMUJFWSA-N 0 3 386.460 0.210 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001571272412 945662501 /nfs/dbraw/zinc/66/25/01/945662501.db2.gz DBEDZJRHGVJTNN-OBJOEFQTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001571272412 945662505 /nfs/dbraw/zinc/66/25/05/945662505.db2.gz DBEDZJRHGVJTNN-OBJOEFQTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001571272412 945662512 /nfs/dbraw/zinc/66/25/12/945662512.db2.gz DBEDZJRHGVJTNN-OBJOEFQTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001571272412 945662524 /nfs/dbraw/zinc/66/25/24/945662524.db2.gz DBEDZJRHGVJTNN-OBJOEFQTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@@H+]1C ZINC001571272944 945674958 /nfs/dbraw/zinc/67/49/58/945674958.db2.gz LKKKMXLYVMPWQO-OBJOEFQTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@H+]1C ZINC001571272944 945674968 /nfs/dbraw/zinc/67/49/68/945674968.db2.gz LKKKMXLYVMPWQO-OBJOEFQTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@@H+]1C ZINC001571272944 945674975 /nfs/dbraw/zinc/67/49/75/945674975.db2.gz LKKKMXLYVMPWQO-OBJOEFQTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@H+]1C ZINC001571272944 945674981 /nfs/dbraw/zinc/67/49/81/945674981.db2.gz LKKKMXLYVMPWQO-OBJOEFQTSA-N 0 3 386.460 0.256 20 0 GCADHN CN(C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)C1CC[NH+](C)CC1 ZINC001571272967 945675056 /nfs/dbraw/zinc/67/50/56/945675056.db2.gz LXIQDRWPVWINOR-AWEZNQCLSA-N 0 3 386.460 0.210 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001571273049 945677253 /nfs/dbraw/zinc/67/72/53/945677253.db2.gz NXRSVFGCUCESAM-TZMCWYRMSA-N 0 3 386.460 0.448 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001571273048 945677578 /nfs/dbraw/zinc/67/75/78/945677578.db2.gz NXRSVFGCUCESAM-OCCSQVGLSA-N 0 3 386.460 0.448 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821351014 945677675 /nfs/dbraw/zinc/67/76/75/945677675.db2.gz ITFYXXGMCKLZLO-AWEZNQCLSA-N 0 3 375.433 0.278 20 0 GCADHN CN1CCC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571273035 945678364 /nfs/dbraw/zinc/67/83/64/945678364.db2.gz NPYVJBBIZRLJIE-SWLSCSKDSA-N 0 3 386.460 0.210 20 0 GCADHN CN1CCC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571273035 945678366 /nfs/dbraw/zinc/67/83/66/945678366.db2.gz NPYVJBBIZRLJIE-SWLSCSKDSA-N 0 3 386.460 0.210 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+]1C[C@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273140 945679275 /nfs/dbraw/zinc/67/92/75/945679275.db2.gz QFDUYMFIBVBUTN-OLZOCXBDSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+]1C[C@H]1CCNC(=O)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571273140 945679279 /nfs/dbraw/zinc/67/92/79/945679279.db2.gz QFDUYMFIBVBUTN-OLZOCXBDSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+]1C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273140 945679283 /nfs/dbraw/zinc/67/92/83/945679283.db2.gz QFDUYMFIBVBUTN-OLZOCXBDSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+]1C[C@H]1CCNC(=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571273140 945679285 /nfs/dbraw/zinc/67/92/85/945679285.db2.gz QFDUYMFIBVBUTN-OLZOCXBDSA-N 0 3 386.460 0.305 20 0 GCADHN CN1CCC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC001571273104 945679493 /nfs/dbraw/zinc/67/94/93/945679493.db2.gz PHHXNHZNTWBYLM-IACUBPJLSA-N 0 3 386.460 0.304 20 0 GCADHN CN1CCC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC001571273104 945679500 /nfs/dbraw/zinc/67/95/00/945679500.db2.gz PHHXNHZNTWBYLM-IACUBPJLSA-N 0 3 386.460 0.304 20 0 GCADHN CN1CC[C@@H]([NH2+]CC[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001571273231 945681320 /nfs/dbraw/zinc/68/13/20/945681320.db2.gz TUAQKNVTBSZORM-GXTWGEPZSA-N 0 3 386.460 0.257 20 0 GCADHN CN1CCC[C@@H]([N@H+](C)C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001571273216 945681964 /nfs/dbraw/zinc/68/19/64/945681964.db2.gz SSTRMFBCZCGYCY-OAHLLOKOSA-N 0 3 386.460 0.352 20 0 GCADHN CN1CCC[C@@H]([N@@H+](C)C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001571273216 945681971 /nfs/dbraw/zinc/68/19/71/945681971.db2.gz SSTRMFBCZCGYCY-OAHLLOKOSA-N 0 3 386.460 0.352 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000821401244 945688903 /nfs/dbraw/zinc/68/89/03/945688903.db2.gz SYZIEUCQSDLAHT-YPMHNXCESA-N 0 3 399.455 0.945 20 0 GCADHN C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001571273481 945690663 /nfs/dbraw/zinc/69/06/63/945690663.db2.gz YEGJVCXPUYMRCE-WKIYYKSKSA-N 0 3 386.460 0.254 20 0 GCADHN C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001571273481 945690668 /nfs/dbraw/zinc/69/06/68/945690668.db2.gz YEGJVCXPUYMRCE-WKIYYKSKSA-N 0 3 386.460 0.254 20 0 GCADHN C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001571273481 945690675 /nfs/dbraw/zinc/69/06/75/945690675.db2.gz YEGJVCXPUYMRCE-WKIYYKSKSA-N 0 3 386.460 0.254 20 0 GCADHN C[C@@H]1[C@H](C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001571273481 945690680 /nfs/dbraw/zinc/69/06/80/945690680.db2.gz YEGJVCXPUYMRCE-WKIYYKSKSA-N 0 3 386.460 0.254 20 0 GCADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC([NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC001571273558 945692009 /nfs/dbraw/zinc/69/20/09/945692009.db2.gz ZVLHGGADNGEQLQ-GFCCVEGCSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC([NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC001571273558 945692013 /nfs/dbraw/zinc/69/20/13/945692013.db2.gz ZVLHGGADNGEQLQ-GFCCVEGCSA-N 0 3 386.460 0.305 20 0 GCADHN COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275705 945713472 /nfs/dbraw/zinc/71/34/72/945713472.db2.gz BDUJDSQKJSSCRB-CABCVRRESA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275705 945713477 /nfs/dbraw/zinc/71/34/77/945713477.db2.gz BDUJDSQKJSSCRB-CABCVRRESA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275705 945713482 /nfs/dbraw/zinc/71/34/82/945713482.db2.gz BDUJDSQKJSSCRB-CABCVRRESA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275705 945713488 /nfs/dbraw/zinc/71/34/88/945713488.db2.gz BDUJDSQKJSSCRB-CABCVRRESA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275779 945716120 /nfs/dbraw/zinc/71/61/20/945716120.db2.gz CDKMDRVQRCBWFV-HUUCEWRRSA-N 0 3 386.456 0.992 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275779 945716125 /nfs/dbraw/zinc/71/61/25/945716125.db2.gz CDKMDRVQRCBWFV-HUUCEWRRSA-N 0 3 386.456 0.992 20 0 GCADHN CN(C)C1(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)Cc2ccccc2C1 ZINC000821581513 945722946 /nfs/dbraw/zinc/72/29/46/945722946.db2.gz NQINCVRASOYXLH-AWEZNQCLSA-N 0 3 393.499 0.794 20 0 GCADHN CN(C)C1(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)Cc2ccccc2C1 ZINC000821581513 945722950 /nfs/dbraw/zinc/72/29/50/945722950.db2.gz NQINCVRASOYXLH-AWEZNQCLSA-N 0 3 393.499 0.794 20 0 GCADHN C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(=O)N1CCCCC1 ZINC001571276112 945725606 /nfs/dbraw/zinc/72/56/06/945725606.db2.gz HHUVXGHYNAIQIN-AVGNSLFASA-N 0 3 386.460 0.446 20 0 GCADHN CC(C)N1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571277561 945742191 /nfs/dbraw/zinc/74/21/91/945742191.db2.gz LQGADBYLELKMKL-HUBLWGQQSA-N 0 3 386.460 0.302 20 0 GCADHN CC(C)N1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571277563 945742688 /nfs/dbraw/zinc/74/26/88/945742688.db2.gz LQGADBYLELKMKL-LALPHHSUSA-N 0 3 386.460 0.302 20 0 GCADHN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571278072 945749497 /nfs/dbraw/zinc/74/94/97/945749497.db2.gz VKUKXUALXSQTIX-UKRRQHHQSA-N 0 3 387.419 0.317 20 0 GCADHN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571278072 945749505 /nfs/dbraw/zinc/74/95/05/945749505.db2.gz VKUKXUALXSQTIX-UKRRQHHQSA-N 0 3 387.419 0.317 20 0 GCADHN CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)CC1=O ZINC001571278325 945750713 /nfs/dbraw/zinc/75/07/13/945750713.db2.gz XUZNNDLOPLDHNG-TZMCWYRMSA-N 0 3 387.419 0.175 20 0 GCADHN CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)CC1=O ZINC001571278325 945750718 /nfs/dbraw/zinc/75/07/18/945750718.db2.gz XUZNNDLOPLDHNG-TZMCWYRMSA-N 0 3 387.419 0.175 20 0 GCADHN O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1COCCO1 ZINC001571278512 945752578 /nfs/dbraw/zinc/75/25/78/945752578.db2.gz OQPULWKVPMTBOK-ULQDDVLXSA-N 0 3 386.456 0.799 20 0 GCADHN O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1COCCO1 ZINC001571278512 945752585 /nfs/dbraw/zinc/75/25/85/945752585.db2.gz OQPULWKVPMTBOK-ULQDDVLXSA-N 0 3 386.456 0.799 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001571278980 945767177 /nfs/dbraw/zinc/76/71/77/945767177.db2.gz TYOMTVRRIOSSAK-BXUZGUMPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001571278980 945767184 /nfs/dbraw/zinc/76/71/84/945767184.db2.gz TYOMTVRRIOSSAK-BXUZGUMPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571279396 945777247 /nfs/dbraw/zinc/77/72/47/945777247.db2.gz WIRNPWVZQNMEGC-KBRIMQKVSA-N 0 3 386.456 0.609 20 0 GCADHN C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571279396 945777254 /nfs/dbraw/zinc/77/72/54/945777254.db2.gz WIRNPWVZQNMEGC-KBRIMQKVSA-N 0 3 386.456 0.609 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573448784 945808569 /nfs/dbraw/zinc/80/85/69/945808569.db2.gz MXESTLXQKGNXEV-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573448784 945808572 /nfs/dbraw/zinc/80/85/72/945808572.db2.gz MXESTLXQKGNXEV-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@](C)(C(=O)NCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573455565 945885988 /nfs/dbraw/zinc/88/59/88/945885988.db2.gz FEJVSSITZAUKTH-IBGZPJMESA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N[C@](C)(C(=O)NCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573455565 945885991 /nfs/dbraw/zinc/88/59/91/945885991.db2.gz FEJVSSITZAUKTH-IBGZPJMESA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573456304 945887672 /nfs/dbraw/zinc/88/76/72/945887672.db2.gz IMTCAAPBRZVHRZ-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573456589 945893975 /nfs/dbraw/zinc/89/39/75/945893975.db2.gz MJDDKNYKKFPMQB-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573457198 945902903 /nfs/dbraw/zinc/90/29/03/945902903.db2.gz SUEZUHRKFQQAPD-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573457198 945902912 /nfs/dbraw/zinc/90/29/12/945902912.db2.gz SUEZUHRKFQQAPD-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573458852 945909683 /nfs/dbraw/zinc/90/96/83/945909683.db2.gz AHRHOTRVOGRIDY-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573458852 945909688 /nfs/dbraw/zinc/90/96/88/945909688.db2.gz AHRHOTRVOGRIDY-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573458998 945910086 /nfs/dbraw/zinc/91/00/86/945910086.db2.gz CGAISDRQQQUVIZ-OAHLLOKOSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573458998 945910092 /nfs/dbraw/zinc/91/00/92/945910092.db2.gz CGAISDRQQQUVIZ-OAHLLOKOSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573459450 945913652 /nfs/dbraw/zinc/91/36/52/945913652.db2.gz FGWSRBUULHRTRR-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573459450 945913664 /nfs/dbraw/zinc/91/36/64/945913664.db2.gz FGWSRBUULHRTRR-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573459608 945915109 /nfs/dbraw/zinc/91/51/09/945915109.db2.gz HJMKYBPIMDJFQP-MNOVXSKESA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573459608 945915113 /nfs/dbraw/zinc/91/51/13/945915113.db2.gz HJMKYBPIMDJFQP-MNOVXSKESA-N 0 3 391.451 0.903 20 0 GCADHN O=C(C1=COCCO1)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571286076 945935428 /nfs/dbraw/zinc/93/54/28/945935428.db2.gz XBZZPQKSIRNJDS-AWEZNQCLSA-N 0 3 388.403 0.975 20 0 GCADHN O=C(C1=COCCO1)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571286076 945935441 /nfs/dbraw/zinc/93/54/41/945935441.db2.gz XBZZPQKSIRNJDS-AWEZNQCLSA-N 0 3 388.403 0.975 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573462924 945947018 /nfs/dbraw/zinc/94/70/18/945947018.db2.gz OXIJNVQBWNPQSL-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573462802 945947930 /nfs/dbraw/zinc/94/79/30/945947930.db2.gz NMTRHBNDBSNROO-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573462802 945947935 /nfs/dbraw/zinc/94/79/35/945947935.db2.gz NMTRHBNDBSNROO-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573464977 945970804 /nfs/dbraw/zinc/97/08/04/945970804.db2.gz SZXFVJBCIDTWRT-LLVKDONJSA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573464977 945970810 /nfs/dbraw/zinc/97/08/10/945970810.db2.gz SZXFVJBCIDTWRT-LLVKDONJSA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467420 945979118 /nfs/dbraw/zinc/97/91/18/945979118.db2.gz DNDCVGHFPOZKNY-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467420 945979135 /nfs/dbraw/zinc/97/91/35/945979135.db2.gz DNDCVGHFPOZKNY-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573467425 945981249 /nfs/dbraw/zinc/98/12/49/945981249.db2.gz DPKTZKRUUINRIP-SJKOYZFVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573467425 945981257 /nfs/dbraw/zinc/98/12/57/945981257.db2.gz DPKTZKRUUINRIP-SJKOYZFVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC001573468175 945990647 /nfs/dbraw/zinc/99/06/47/945990647.db2.gz LMPNEBSCQLYIQS-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC001573468175 945990657 /nfs/dbraw/zinc/99/06/57/945990657.db2.gz LMPNEBSCQLYIQS-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573468190 945990676 /nfs/dbraw/zinc/99/06/76/945990676.db2.gz LOFBNJOXRLRAIE-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573468351 945993800 /nfs/dbraw/zinc/99/38/00/945993800.db2.gz MZDBVKZSNHEHTG-SFNBMPIDSA-N 0 3 389.435 0.609 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573468351 945993806 /nfs/dbraw/zinc/99/38/06/945993806.db2.gz MZDBVKZSNHEHTG-SFNBMPIDSA-N 0 3 389.435 0.609 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573468558 945995350 /nfs/dbraw/zinc/99/53/50/945995350.db2.gz PFULPAYCTQSIQQ-SJCJKPOMSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573468558 945995355 /nfs/dbraw/zinc/99/53/55/945995355.db2.gz PFULPAYCTQSIQQ-SJCJKPOMSA-N 0 3 385.472 0.718 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571289233 945997548 /nfs/dbraw/zinc/99/75/48/945997548.db2.gz XTBYNOMSKSIHMP-OAHLLOKOSA-N 0 3 388.451 0.922 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571289233 945997554 /nfs/dbraw/zinc/99/75/54/945997554.db2.gz XTBYNOMSKSIHMP-OAHLLOKOSA-N 0 3 388.451 0.922 20 0 GCADHN CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571289451 946007535 /nfs/dbraw/zinc/00/75/35/946007535.db2.gz DYEWMODGQMFLFJ-KBRIMQKVSA-N 0 3 388.472 0.855 20 0 GCADHN CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571289451 946007542 /nfs/dbraw/zinc/00/75/42/946007542.db2.gz DYEWMODGQMFLFJ-KBRIMQKVSA-N 0 3 388.472 0.855 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573469948 946013103 /nfs/dbraw/zinc/01/31/03/946013103.db2.gz YPQVLNLKDYGTNC-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573469948 946013110 /nfs/dbraw/zinc/01/31/10/946013110.db2.gz YPQVLNLKDYGTNC-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573469945 946013126 /nfs/dbraw/zinc/01/31/26/946013126.db2.gz YPQVLNLKDYGTNC-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573469945 946013137 /nfs/dbraw/zinc/01/31/37/946013137.db2.gz YPQVLNLKDYGTNC-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC[C@@H](OC)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571289697 946015265 /nfs/dbraw/zinc/01/52/65/946015265.db2.gz KOCSGSOLIHMWCI-IAGOWNOFSA-N 0 3 388.472 0.999 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470556 946028542 /nfs/dbraw/zinc/02/85/42/946028542.db2.gz GXCJVFWQIIAQGV-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470556 946028553 /nfs/dbraw/zinc/02/85/53/946028553.db2.gz GXCJVFWQIIAQGV-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571290141 946033307 /nfs/dbraw/zinc/03/33/07/946033307.db2.gz VYGVROAMAXAOAK-TZMCWYRMSA-N 0 3 388.451 0.780 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571290141 946033319 /nfs/dbraw/zinc/03/33/19/946033319.db2.gz VYGVROAMAXAOAK-TZMCWYRMSA-N 0 3 388.451 0.780 20 0 GCADHN CO[C@@H](C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571290293 946035213 /nfs/dbraw/zinc/03/52/13/946035213.db2.gz ZUKGOFOMJGTGLA-KBPBESRZSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571290293 946035226 /nfs/dbraw/zinc/03/52/26/946035226.db2.gz ZUKGOFOMJGTGLA-KBPBESRZSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@@H](C)C[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571290293 946035241 /nfs/dbraw/zinc/03/52/41/946035241.db2.gz ZUKGOFOMJGTGLA-KBPBESRZSA-N 0 3 388.476 0.062 20 0 GCADHN CO[C@@H](C)C[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571290293 946035252 /nfs/dbraw/zinc/03/52/52/946035252.db2.gz ZUKGOFOMJGTGLA-KBPBESRZSA-N 0 3 388.476 0.062 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573470803 946035803 /nfs/dbraw/zinc/03/58/03/946035803.db2.gz JQZQGGVIXDSBFM-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573470803 946035817 /nfs/dbraw/zinc/03/58/17/946035817.db2.gz JQZQGGVIXDSBFM-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472192 946061679 /nfs/dbraw/zinc/06/16/79/946061679.db2.gz UNTCGXDOJKYRRH-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472192 946061690 /nfs/dbraw/zinc/06/16/90/946061690.db2.gz UNTCGXDOJKYRRH-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472389 946065658 /nfs/dbraw/zinc/06/56/58/946065658.db2.gz VZOBAXFNTHWVMF-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472389 946065669 /nfs/dbraw/zinc/06/56/69/946065669.db2.gz VZOBAXFNTHWVMF-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@@H]1COC(=O)N1 ZINC001571291405 946075718 /nfs/dbraw/zinc/07/57/18/946075718.db2.gz JAIFCISTKOYOPF-ASYNLNLVSA-N 0 3 389.391 0.099 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573474810 946093720 /nfs/dbraw/zinc/09/37/20/946093720.db2.gz NYODTLKGWGBKAV-MFKMUULPSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573474810 946093730 /nfs/dbraw/zinc/09/37/30/946093730.db2.gz NYODTLKGWGBKAV-MFKMUULPSA-N 0 3 375.408 0.221 20 0 GCADHN CN1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571293288 946101739 /nfs/dbraw/zinc/10/17/39/946101739.db2.gz DHRJUDSECIINTN-CZUORRHYSA-N 0 3 389.435 0.027 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573475487 946102970 /nfs/dbraw/zinc/10/29/70/946102970.db2.gz UTPRMMBEWHPGFY-ABAIWWIYSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573477038 946128562 /nfs/dbraw/zinc/12/85/62/946128562.db2.gz LOACNRMEBOTHOW-MNOVXSKESA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573477038 946128566 /nfs/dbraw/zinc/12/85/66/946128566.db2.gz LOACNRMEBOTHOW-MNOVXSKESA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477358 946134054 /nfs/dbraw/zinc/13/40/54/946134054.db2.gz PDDRXRSVZUPLNK-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477358 946134064 /nfs/dbraw/zinc/13/40/64/946134064.db2.gz PDDRXRSVZUPLNK-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC/C=C\C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573479584 946163443 /nfs/dbraw/zinc/16/34/43/946163443.db2.gz FOCLEKLSLMWOSH-BYCRGOAPSA-N 0 3 375.408 0.292 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573479587 946164130 /nfs/dbraw/zinc/16/41/30/946164130.db2.gz FOCLEKLSLMWOSH-UFFNRZRYSA-N 0 3 375.408 0.292 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573479586 946164524 /nfs/dbraw/zinc/16/45/24/946164524.db2.gz FOCLEKLSLMWOSH-PGLGOXFNSA-N 0 3 375.408 0.292 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573480273 946173243 /nfs/dbraw/zinc/17/32/43/946173243.db2.gz KEMQVDGUTKCOES-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573480273 946173246 /nfs/dbraw/zinc/17/32/46/946173246.db2.gz KEMQVDGUTKCOES-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573480273 946173250 /nfs/dbraw/zinc/17/32/50/946173250.db2.gz KEMQVDGUTKCOES-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573480273 946173256 /nfs/dbraw/zinc/17/32/56/946173256.db2.gz KEMQVDGUTKCOES-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573480662 946174629 /nfs/dbraw/zinc/17/46/29/946174629.db2.gz LTWGCOAGDKOCNZ-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573480662 946174634 /nfs/dbraw/zinc/17/46/34/946174634.db2.gz LTWGCOAGDKOCNZ-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573480659 946175760 /nfs/dbraw/zinc/17/57/60/946175760.db2.gz LTWGCOAGDKOCNZ-BZNIZROVSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573480659 946175763 /nfs/dbraw/zinc/17/57/63/946175763.db2.gz LTWGCOAGDKOCNZ-BZNIZROVSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCC1 ZINC001573481004 946179394 /nfs/dbraw/zinc/17/93/94/946179394.db2.gz NHVBGWBAPYTBND-LLVKDONJSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCC1 ZINC001573481004 946179401 /nfs/dbraw/zinc/17/94/01/946179401.db2.gz NHVBGWBAPYTBND-LLVKDONJSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCC1 ZINC001573481015 946180958 /nfs/dbraw/zinc/18/09/58/946180958.db2.gz NKLVUQJYVMGEEN-NSHDSACASA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573485539 946229624 /nfs/dbraw/zinc/22/96/24/946229624.db2.gz VHBPLTXIHSGMCD-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573485539 946229638 /nfs/dbraw/zinc/22/96/38/946229638.db2.gz VHBPLTXIHSGMCD-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573485539 946229649 /nfs/dbraw/zinc/22/96/49/946229649.db2.gz VHBPLTXIHSGMCD-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573485539 946229662 /nfs/dbraw/zinc/22/96/62/946229662.db2.gz VHBPLTXIHSGMCD-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573486964 946246500 /nfs/dbraw/zinc/24/65/00/946246500.db2.gz JQFMUDABHKHEBF-ZLIFDBKOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573486964 946246509 /nfs/dbraw/zinc/24/65/09/946246509.db2.gz JQFMUDABHKHEBF-ZLIFDBKOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573487274 946247765 /nfs/dbraw/zinc/24/77/65/946247765.db2.gz LQRSBHSVJWJZDL-LERXQTSPSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573487274 946247775 /nfs/dbraw/zinc/24/77/75/946247775.db2.gz LQRSBHSVJWJZDL-LERXQTSPSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573487568 946255006 /nfs/dbraw/zinc/25/50/06/946255006.db2.gz PJJWGEUIDNPQAW-WQAKAFBOSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573487568 946255016 /nfs/dbraw/zinc/25/50/16/946255016.db2.gz PJJWGEUIDNPQAW-WQAKAFBOSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)NC1(C(=O)NCC[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573488570 946270165 /nfs/dbraw/zinc/27/01/65/946270165.db2.gz DIKHAFDUMSEWHI-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NC1(C(=O)NCC[N@H+](C)Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573488570 946270176 /nfs/dbraw/zinc/27/01/76/946270176.db2.gz DIKHAFDUMSEWHI-UHFFFAOYSA-N 0 3 385.472 0.864 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571300090 946272377 /nfs/dbraw/zinc/27/23/77/946272377.db2.gz UNXHHRXMCSNFQM-WCQYABFASA-N 0 3 390.879 0.952 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571300090 946272388 /nfs/dbraw/zinc/27/23/88/946272388.db2.gz UNXHHRXMCSNFQM-WCQYABFASA-N 0 3 390.879 0.952 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571300090 946272399 /nfs/dbraw/zinc/27/23/99/946272399.db2.gz UNXHHRXMCSNFQM-WCQYABFASA-N 0 3 390.879 0.952 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571300090 946272408 /nfs/dbraw/zinc/27/24/08/946272408.db2.gz UNXHHRXMCSNFQM-WCQYABFASA-N 0 3 390.879 0.952 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC001571304113 946356333 /nfs/dbraw/zinc/35/63/33/946356333.db2.gz YEEKXGOPBZATDX-QGZVFWFLSA-N 0 3 391.435 0.970 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573498964 946366731 /nfs/dbraw/zinc/36/67/31/946366731.db2.gz BRWYHGMZVXRKHT-BMIGLBTASA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573498966 946367912 /nfs/dbraw/zinc/36/79/12/946367912.db2.gz BRWYHGMZVXRKHT-MEBBXXQBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573500349 946372631 /nfs/dbraw/zinc/37/26/31/946372631.db2.gz IDNBGEBAHXSWFP-RISCZKNCSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573500349 946372636 /nfs/dbraw/zinc/37/26/36/946372636.db2.gz IDNBGEBAHXSWFP-RISCZKNCSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573501972 946385828 /nfs/dbraw/zinc/38/58/28/946385828.db2.gz TTZMGPABZTYIHJ-ZUZCIYMTSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573501972 946385836 /nfs/dbraw/zinc/38/58/36/946385836.db2.gz TTZMGPABZTYIHJ-ZUZCIYMTSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573503625 946392591 /nfs/dbraw/zinc/39/25/91/946392591.db2.gz AQMYAPMAXFFNLT-WBVHZDCISA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573503625 946392601 /nfs/dbraw/zinc/39/26/01/946392601.db2.gz AQMYAPMAXFFNLT-WBVHZDCISA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573503625 946392609 /nfs/dbraw/zinc/39/26/09/946392609.db2.gz AQMYAPMAXFFNLT-WBVHZDCISA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573503625 946392621 /nfs/dbraw/zinc/39/26/21/946392621.db2.gz AQMYAPMAXFFNLT-WBVHZDCISA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573503933 946400917 /nfs/dbraw/zinc/40/09/17/946400917.db2.gz CWSJFJNDSFPAGO-ZBEGNZNMSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573503933 946400922 /nfs/dbraw/zinc/40/09/22/946400922.db2.gz CWSJFJNDSFPAGO-ZBEGNZNMSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573504214 946407986 /nfs/dbraw/zinc/40/79/86/946407986.db2.gz HINDRZAZMHAQJO-ZBEGNZNMSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573504214 946407994 /nfs/dbraw/zinc/40/79/94/946407994.db2.gz HINDRZAZMHAQJO-ZBEGNZNMSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573505412 946421210 /nfs/dbraw/zinc/42/12/10/946421210.db2.gz NCJMNDDEZRILKY-ZDUSSCGKSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573505412 946421215 /nfs/dbraw/zinc/42/12/15/946421215.db2.gz NCJMNDDEZRILKY-ZDUSSCGKSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573505418 946421365 /nfs/dbraw/zinc/42/13/65/946421365.db2.gz NGCFZODMIMZFPR-UHFFFAOYSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573505418 946421372 /nfs/dbraw/zinc/42/13/72/946421372.db2.gz NGCFZODMIMZFPR-UHFFFAOYSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573505463 946421427 /nfs/dbraw/zinc/42/14/27/946421427.db2.gz NZPIGGUOEDVPSA-ZDUSSCGKSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573505463 946421431 /nfs/dbraw/zinc/42/14/31/946421431.db2.gz NZPIGGUOEDVPSA-ZDUSSCGKSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573505409 946422429 /nfs/dbraw/zinc/42/24/29/946422429.db2.gz NCJMNDDEZRILKY-CYBMUJFWSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573505409 946422433 /nfs/dbraw/zinc/42/24/33/946422433.db2.gz NCJMNDDEZRILKY-CYBMUJFWSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573505994 946428555 /nfs/dbraw/zinc/42/85/55/946428555.db2.gz NGYVDLNOZHINRO-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573505994 946428560 /nfs/dbraw/zinc/42/85/60/946428560.db2.gz NGYVDLNOZHINRO-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573505994 946428564 /nfs/dbraw/zinc/42/85/64/946428564.db2.gz NGYVDLNOZHINRO-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573505994 946428572 /nfs/dbraw/zinc/42/85/72/946428572.db2.gz NGYVDLNOZHINRO-IRXDYDNUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@H]1C ZINC001573506339 946430377 /nfs/dbraw/zinc/43/03/77/946430377.db2.gz QXYASKBQMMAZOO-MEBBXXQBSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573506844 946438589 /nfs/dbraw/zinc/43/85/89/946438589.db2.gz UWSYKZIHGPIQBC-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573506844 946438594 /nfs/dbraw/zinc/43/85/94/946438594.db2.gz UWSYKZIHGPIQBC-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573507046 946441079 /nfs/dbraw/zinc/44/10/79/946441079.db2.gz UPVXQDLNXGCHSC-CYBMUJFWSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573507046 946441085 /nfs/dbraw/zinc/44/10/85/946441085.db2.gz UPVXQDLNXGCHSC-CYBMUJFWSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)[C@H](C)C1 ZINC001573507088 946442821 /nfs/dbraw/zinc/44/28/21/946442821.db2.gz WOLMUNQNUSFXRH-BDJLRTHQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)[C@H](C)C1 ZINC001573507088 946442826 /nfs/dbraw/zinc/44/28/26/946442826.db2.gz WOLMUNQNUSFXRH-BDJLRTHQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573507202 946443891 /nfs/dbraw/zinc/44/38/91/946443891.db2.gz VHRQWIWFYKXDJV-CQSZACIVSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573507261 946445925 /nfs/dbraw/zinc/44/59/25/946445925.db2.gz WFCSPCRLNFBLPD-CQSZACIVSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573507493 946447381 /nfs/dbraw/zinc/44/73/81/946447381.db2.gz YLQGMRZYUZAANU-CZUORRHYSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573507493 946447390 /nfs/dbraw/zinc/44/73/90/946447390.db2.gz YLQGMRZYUZAANU-CZUORRHYSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573507527 946448295 /nfs/dbraw/zinc/44/82/95/946448295.db2.gz YVCZLFCHCDTGFR-IAQYHMDHSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573507527 946448304 /nfs/dbraw/zinc/44/83/04/946448304.db2.gz YVCZLFCHCDTGFR-IAQYHMDHSA-N 0 3 389.435 0.469 20 0 GCADHN NC(=O)c1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001571309590 946448497 /nfs/dbraw/zinc/44/84/97/946448497.db2.gz DXXUAMJWVZYYEH-HDJSIYSDSA-N 0 3 392.423 0.411 20 0 GCADHN NC(=O)c1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001571309590 946448502 /nfs/dbraw/zinc/44/85/02/946448502.db2.gz DXXUAMJWVZYYEH-HDJSIYSDSA-N 0 3 392.423 0.411 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)c1cn[nH]c(=O)c1 ZINC001571309671 946450795 /nfs/dbraw/zinc/45/07/95/946450795.db2.gz HINXLMOEJGMYSK-PHZGNYQRSA-N 0 3 392.423 0.470 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)c1cn[nH]c(=O)c1 ZINC001571309671 946450809 /nfs/dbraw/zinc/45/08/09/946450809.db2.gz HINXLMOEJGMYSK-PHZGNYQRSA-N 0 3 392.423 0.470 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21)c1cn[nH]c(=O)c1 ZINC001571309671 946450816 /nfs/dbraw/zinc/45/08/16/946450816.db2.gz HINXLMOEJGMYSK-PHZGNYQRSA-N 0 3 392.423 0.470 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21)c1cn[nH]c(=O)c1 ZINC001571309671 946450823 /nfs/dbraw/zinc/45/08/23/946450823.db2.gz HINXLMOEJGMYSK-PHZGNYQRSA-N 0 3 392.423 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573508921 946458215 /nfs/dbraw/zinc/45/82/15/946458215.db2.gz AYYBYCJXLVYPCG-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573508921 946458224 /nfs/dbraw/zinc/45/82/24/946458224.db2.gz AYYBYCJXLVYPCG-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001571310263 946467100 /nfs/dbraw/zinc/46/71/00/946467100.db2.gz ZZZQJLSJGICNRZ-HNNXBMFYSA-N 0 3 392.423 0.365 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC001571310263 946467109 /nfs/dbraw/zinc/46/71/09/946467109.db2.gz ZZZQJLSJGICNRZ-HNNXBMFYSA-N 0 3 392.423 0.365 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)CC(C)C ZINC001573510165 946470873 /nfs/dbraw/zinc/47/08/73/946470873.db2.gz ANXXMLGSXSYPGG-OAHLLOKOSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)CC(C)C ZINC001573510165 946470878 /nfs/dbraw/zinc/47/08/78/946470878.db2.gz ANXXMLGSXSYPGG-OAHLLOKOSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573510501 946480022 /nfs/dbraw/zinc/48/00/22/946480022.db2.gz IUEKYVWXZJNEGD-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573510501 946480028 /nfs/dbraw/zinc/48/00/28/946480028.db2.gz IUEKYVWXZJNEGD-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573510501 946480032 /nfs/dbraw/zinc/48/00/32/946480032.db2.gz IUEKYVWXZJNEGD-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573510501 946480037 /nfs/dbraw/zinc/48/00/37/946480037.db2.gz IUEKYVWXZJNEGD-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573511011 946481547 /nfs/dbraw/zinc/48/15/47/946481547.db2.gz LRLBOXUATJHYEG-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573511011 946481552 /nfs/dbraw/zinc/48/15/52/946481552.db2.gz LRLBOXUATJHYEG-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)c1cnn(C)c1 ZINC001571311227 946485209 /nfs/dbraw/zinc/48/52/09/946485209.db2.gz UDSBGCKEKUUBNS-QTXLCTLRSA-N 0 3 392.467 0.950 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)c1cnn(C)c1 ZINC001571311227 946485212 /nfs/dbraw/zinc/48/52/12/946485212.db2.gz UDSBGCKEKUUBNS-QTXLCTLRSA-N 0 3 392.467 0.950 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)c1cnn(C)c1 ZINC001571311227 946485215 /nfs/dbraw/zinc/48/52/15/946485215.db2.gz UDSBGCKEKUUBNS-QTXLCTLRSA-N 0 3 392.467 0.950 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)c1cnn(C)c1 ZINC001571311227 946485217 /nfs/dbraw/zinc/48/52/17/946485217.db2.gz UDSBGCKEKUUBNS-QTXLCTLRSA-N 0 3 392.467 0.950 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573511846 946490931 /nfs/dbraw/zinc/49/09/31/946490931.db2.gz SYKBBHFOVLMEBA-OAHLLOKOSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573511846 946490940 /nfs/dbraw/zinc/49/09/40/946490940.db2.gz SYKBBHFOVLMEBA-OAHLLOKOSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC001573512170 946495301 /nfs/dbraw/zinc/49/53/01/946495301.db2.gz VGIZXBWWYHFYST-QGZVFWFLSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC001573512170 946495308 /nfs/dbraw/zinc/49/53/08/946495308.db2.gz VGIZXBWWYHFYST-QGZVFWFLSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573513351 946510942 /nfs/dbraw/zinc/51/09/42/946510942.db2.gz MUXRFEZJFCFVBM-CJNGLKHVSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573513351 946510949 /nfs/dbraw/zinc/51/09/49/946510949.db2.gz MUXRFEZJFCFVBM-CJNGLKHVSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573514178 946520806 /nfs/dbraw/zinc/52/08/06/946520806.db2.gz UNABCYOVHABEBJ-KBPBESRZSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573514178 946520814 /nfs/dbraw/zinc/52/08/14/946520814.db2.gz UNABCYOVHABEBJ-KBPBESRZSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573514376 946528034 /nfs/dbraw/zinc/52/80/34/946528034.db2.gz YAAPHGWVUSENMM-BPUTZDHNSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573514376 946528043 /nfs/dbraw/zinc/52/80/43/946528043.db2.gz YAAPHGWVUSENMM-BPUTZDHNSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1-c1nn[n-]n1)C2 ZINC001573514376 946528050 /nfs/dbraw/zinc/52/80/50/946528050.db2.gz YAAPHGWVUSENMM-BPUTZDHNSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1-c1nn[n-]n1)C2 ZINC001573514376 946528061 /nfs/dbraw/zinc/52/80/61/946528061.db2.gz YAAPHGWVUSENMM-BPUTZDHNSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)NCC(=O)NC[C@H](NCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573514987 946538284 /nfs/dbraw/zinc/53/82/84/946538284.db2.gz GGECJFLRSAPQAR-HNNXBMFYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573520231 946593806 /nfs/dbraw/zinc/59/38/06/946593806.db2.gz DZZBTGVCXHPNKO-BETUJISGSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573520231 946593812 /nfs/dbraw/zinc/59/38/12/946593812.db2.gz DZZBTGVCXHPNKO-BETUJISGSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573520255 946594433 /nfs/dbraw/zinc/59/44/33/946594433.db2.gz GAFUJRDFDGMGKZ-SWLSCSKDSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573521707 946610843 /nfs/dbraw/zinc/61/08/43/946610843.db2.gz BUZSCQVETFRJFS-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573521707 946610850 /nfs/dbraw/zinc/61/08/50/946610850.db2.gz BUZSCQVETFRJFS-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573521895 946615338 /nfs/dbraw/zinc/61/53/38/946615338.db2.gz NLYXQPPZRUPQBE-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573521895 946615346 /nfs/dbraw/zinc/61/53/46/946615346.db2.gz NLYXQPPZRUPQBE-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573524103 946640982 /nfs/dbraw/zinc/64/09/82/946640982.db2.gz ZPEFPPVYFSRHQW-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573523970 946641000 /nfs/dbraw/zinc/64/10/00/946641000.db2.gz YVTQZHQVOQMKTM-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573523970 946641007 /nfs/dbraw/zinc/64/10/07/946641007.db2.gz YVTQZHQVOQMKTM-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573528179 946657253 /nfs/dbraw/zinc/65/72/53/946657253.db2.gz XHKWYQDYNPPSGA-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573528179 946657260 /nfs/dbraw/zinc/65/72/60/946657260.db2.gz XHKWYQDYNPPSGA-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573528241 946660202 /nfs/dbraw/zinc/66/02/02/946660202.db2.gz ZUFLGPKZZUONSY-UHFFFAOYSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573528241 946660205 /nfs/dbraw/zinc/66/02/05/946660205.db2.gz ZUFLGPKZZUONSY-UHFFFAOYSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@@H](C[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)S(C)(=O)=O ZINC000824426307 946704177 /nfs/dbraw/zinc/70/41/77/946704177.db2.gz CXZGYRKYDJRSKM-ZDUSSCGKSA-N 0 3 378.502 0.854 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573536624 946738401 /nfs/dbraw/zinc/73/84/01/946738401.db2.gz ZMOUBKQDUNZRGJ-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573536624 946738411 /nfs/dbraw/zinc/73/84/11/946738411.db2.gz ZMOUBKQDUNZRGJ-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)C(C)C ZINC001573537084 946742433 /nfs/dbraw/zinc/74/24/33/946742433.db2.gz GSOSVKDVDITLPB-DLBZAZTESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001573537412 946747820 /nfs/dbraw/zinc/74/78/20/946747820.db2.gz NREZRTIWRFYWAQ-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001573537412 946747827 /nfs/dbraw/zinc/74/78/27/946747827.db2.gz NREZRTIWRFYWAQ-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573538074 946762462 /nfs/dbraw/zinc/76/24/62/946762462.db2.gz VWXFSRUFIDQLRP-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573538074 946762473 /nfs/dbraw/zinc/76/24/73/946762473.db2.gz VWXFSRUFIDQLRP-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573538046 946762989 /nfs/dbraw/zinc/76/29/89/946762989.db2.gz UQYHZQJNYRMTCQ-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001573538046 946762994 /nfs/dbraw/zinc/76/29/94/946762994.db2.gz UQYHZQJNYRMTCQ-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824591122 946841787 /nfs/dbraw/zinc/84/17/87/946841787.db2.gz HDEWVGZHDHVUOM-ZDUSSCGKSA-N 0 3 379.490 0.095 20 0 GCADHN C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824591122 946841798 /nfs/dbraw/zinc/84/17/98/946841798.db2.gz HDEWVGZHDHVUOM-ZDUSSCGKSA-N 0 3 379.490 0.095 20 0 GCADHN C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000824737136 946918852 /nfs/dbraw/zinc/91/88/52/946918852.db2.gz CGNXGDJWIDBVFT-GDBMZVCRSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000824737136 946918857 /nfs/dbraw/zinc/91/88/57/946918857.db2.gz CGNXGDJWIDBVFT-GDBMZVCRSA-N 0 3 388.472 0.987 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(Nc2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000825839981 947343559 /nfs/dbraw/zinc/34/35/59/947343559.db2.gz MGQLEJDQKMGISS-UHFFFAOYSA-N 0 3 383.460 0.869 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(Nc2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000825839981 947343574 /nfs/dbraw/zinc/34/35/74/947343574.db2.gz MGQLEJDQKMGISS-UHFFFAOYSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccn1 ZINC001573599617 947458311 /nfs/dbraw/zinc/45/83/11/947458311.db2.gz YTWBCMUJGNFMQT-DZGCQCFKSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cccn1 ZINC001573599617 947458320 /nfs/dbraw/zinc/45/83/20/947458320.db2.gz YTWBCMUJGNFMQT-DZGCQCFKSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccn1 ZINC001573599619 947458849 /nfs/dbraw/zinc/45/88/49/947458849.db2.gz YTWBCMUJGNFMQT-UKRRQHHQSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cccn1 ZINC001573599619 947458857 /nfs/dbraw/zinc/45/88/57/947458857.db2.gz YTWBCMUJGNFMQT-UKRRQHHQSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573616738 947627458 /nfs/dbraw/zinc/62/74/58/947627458.db2.gz NGFVRHLGUHFUQF-GXTWGEPZSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573616738 947627464 /nfs/dbraw/zinc/62/74/64/947627464.db2.gz NGFVRHLGUHFUQF-GXTWGEPZSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573617393 947634098 /nfs/dbraw/zinc/63/40/98/947634098.db2.gz OZHUKOGVZYWGDV-HIFRSBDPSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573617393 947634102 /nfs/dbraw/zinc/63/41/02/947634102.db2.gz OZHUKOGVZYWGDV-HIFRSBDPSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573628886 947767695 /nfs/dbraw/zinc/76/76/95/947767695.db2.gz KVZHGVDGNKOQNC-XJKSGUPXSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573628886 947767699 /nfs/dbraw/zinc/76/76/99/947767699.db2.gz KVZHGVDGNKOQNC-XJKSGUPXSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573647627 947899406 /nfs/dbraw/zinc/89/94/06/947899406.db2.gz QTDLJUIOQVOEND-DVOMOZLQSA-N 0 3 381.444 0.656 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573647627 947899418 /nfs/dbraw/zinc/89/94/18/947899418.db2.gz QTDLJUIOQVOEND-DVOMOZLQSA-N 0 3 381.444 0.656 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573387419 947911466 /nfs/dbraw/zinc/91/14/66/947911466.db2.gz ANBFEXBGXXUFCO-MRXNPFEDSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573387419 947911475 /nfs/dbraw/zinc/91/14/75/947911475.db2.gz ANBFEXBGXXUFCO-MRXNPFEDSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573388070 947914895 /nfs/dbraw/zinc/91/48/95/947914895.db2.gz HNHLEHVRFPNSKE-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573388993 947922789 /nfs/dbraw/zinc/92/27/89/947922789.db2.gz OWCLVISTTJMNEP-BBRMVZONSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573388993 947922793 /nfs/dbraw/zinc/92/27/93/947922793.db2.gz OWCLVISTTJMNEP-BBRMVZONSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573389105 947923887 /nfs/dbraw/zinc/92/38/87/947923887.db2.gz QCEKDDLXWSEWTL-FZMZJTMJSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573389105 947923895 /nfs/dbraw/zinc/92/38/95/947923895.db2.gz QCEKDDLXWSEWTL-FZMZJTMJSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573389107 947924506 /nfs/dbraw/zinc/92/45/06/947924506.db2.gz QCEKDDLXWSEWTL-SMDDNHRTSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573389107 947924508 /nfs/dbraw/zinc/92/45/08/947924508.db2.gz QCEKDDLXWSEWTL-SMDDNHRTSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573390876 947932562 /nfs/dbraw/zinc/93/25/62/947932562.db2.gz DDUJJANNWFSXNX-CQSZACIVSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573390876 947932567 /nfs/dbraw/zinc/93/25/67/947932567.db2.gz DDUJJANNWFSXNX-CQSZACIVSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573391982 947940243 /nfs/dbraw/zinc/94/02/43/947940243.db2.gz NPWNXEHAOASUCW-DOTOQJQBSA-N 0 3 383.456 0.378 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573391982 947940249 /nfs/dbraw/zinc/94/02/49/947940249.db2.gz NPWNXEHAOASUCW-DOTOQJQBSA-N 0 3 383.456 0.378 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573391982 947940255 /nfs/dbraw/zinc/94/02/55/947940255.db2.gz NPWNXEHAOASUCW-DOTOQJQBSA-N 0 3 383.456 0.378 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573391982 947940262 /nfs/dbraw/zinc/94/02/62/947940262.db2.gz NPWNXEHAOASUCW-DOTOQJQBSA-N 0 3 383.456 0.378 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392343 947947306 /nfs/dbraw/zinc/94/73/06/947947306.db2.gz AARJHHDHOMQTPR-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392343 947947314 /nfs/dbraw/zinc/94/73/14/947947314.db2.gz AARJHHDHOMQTPR-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392690 947950569 /nfs/dbraw/zinc/95/05/69/947950569.db2.gz FBASIQZQNDINQY-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392690 947950578 /nfs/dbraw/zinc/95/05/78/947950578.db2.gz FBASIQZQNDINQY-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573393964 947960941 /nfs/dbraw/zinc/96/09/41/947960941.db2.gz RGWCGEJLPRKOCA-LJQANCHMSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573393964 947960944 /nfs/dbraw/zinc/96/09/44/947960944.db2.gz RGWCGEJLPRKOCA-LJQANCHMSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573393738 947961066 /nfs/dbraw/zinc/96/10/66/947961066.db2.gz PMTPMDBSZGSQSP-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573393738 947961071 /nfs/dbraw/zinc/96/10/71/947961071.db2.gz PMTPMDBSZGSQSP-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573394386 947961895 /nfs/dbraw/zinc/96/18/95/947961895.db2.gz SQGHEXUSOTTYCA-LJQANCHMSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573394386 947961903 /nfs/dbraw/zinc/96/19/03/947961903.db2.gz SQGHEXUSOTTYCA-LJQANCHMSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573393985 947962573 /nfs/dbraw/zinc/96/25/73/947962573.db2.gz RNMJYRRWECQTBO-MRXNPFEDSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573393985 947962576 /nfs/dbraw/zinc/96/25/76/947962576.db2.gz RNMJYRRWECQTBO-MRXNPFEDSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573393985 947962580 /nfs/dbraw/zinc/96/25/80/947962580.db2.gz RNMJYRRWECQTBO-MRXNPFEDSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573393985 947962586 /nfs/dbraw/zinc/96/25/86/947962586.db2.gz RNMJYRRWECQTBO-MRXNPFEDSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@H]1C ZINC001573394730 947965601 /nfs/dbraw/zinc/96/56/01/947965601.db2.gz VTXGRGOWYCQRLM-BDJLRTHQSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@](C)(C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573398859 947985642 /nfs/dbraw/zinc/98/56/42/947985642.db2.gz PVWUEIIXSDXFDK-LJQANCHMSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@](C)(C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573398859 947985648 /nfs/dbraw/zinc/98/56/48/947985648.db2.gz PVWUEIIXSDXFDK-LJQANCHMSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573399350 947991646 /nfs/dbraw/zinc/99/16/46/947991646.db2.gz VNCBGMLDIIYCNS-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573399350 947991650 /nfs/dbraw/zinc/99/16/50/947991650.db2.gz VNCBGMLDIIYCNS-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573399346 947992732 /nfs/dbraw/zinc/99/27/32/947992732.db2.gz VNCBGMLDIIYCNS-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573399346 947992736 /nfs/dbraw/zinc/99/27/36/947992736.db2.gz VNCBGMLDIIYCNS-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573399615 947994728 /nfs/dbraw/zinc/99/47/28/947994728.db2.gz XSXDAVCJFXNUKZ-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573399615 947994733 /nfs/dbraw/zinc/99/47/33/947994733.db2.gz XSXDAVCJFXNUKZ-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573401226 947996470 /nfs/dbraw/zinc/99/64/70/947996470.db2.gz AOZRDZZWFNEBHB-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001573401226 947996476 /nfs/dbraw/zinc/99/64/76/947996476.db2.gz AOZRDZZWFNEBHB-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573402999 948005985 /nfs/dbraw/zinc/00/59/85/948005985.db2.gz JYODKNIQSGECBY-DOTOQJQBSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573402999 948005991 /nfs/dbraw/zinc/00/59/91/948005991.db2.gz JYODKNIQSGECBY-DOTOQJQBSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573402846 948006862 /nfs/dbraw/zinc/00/68/62/948006862.db2.gz JMDGCLBWAOYPFV-NVXWUHKLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573402846 948006870 /nfs/dbraw/zinc/00/68/70/948006870.db2.gz JMDGCLBWAOYPFV-NVXWUHKLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573403004 948007122 /nfs/dbraw/zinc/00/71/22/948007122.db2.gz JYODKNIQSGECBY-WBVHZDCISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573403004 948007129 /nfs/dbraw/zinc/00/71/29/948007129.db2.gz JYODKNIQSGECBY-WBVHZDCISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573403002 948007792 /nfs/dbraw/zinc/00/77/92/948007792.db2.gz JYODKNIQSGECBY-RDJZCZTQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573403002 948007804 /nfs/dbraw/zinc/00/78/04/948007804.db2.gz JYODKNIQSGECBY-RDJZCZTQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573403116 948009061 /nfs/dbraw/zinc/00/90/61/948009061.db2.gz LLVYBRIVDNNMPR-DLBZAZTESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573403116 948009065 /nfs/dbraw/zinc/00/90/65/948009065.db2.gz LLVYBRIVDNNMPR-DLBZAZTESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC001573404286 948020224 /nfs/dbraw/zinc/02/02/24/948020224.db2.gz CJQFKSWXMGGRDB-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC001573404286 948020232 /nfs/dbraw/zinc/02/02/32/948020232.db2.gz CJQFKSWXMGGRDB-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573662317 948025137 /nfs/dbraw/zinc/02/51/37/948025137.db2.gz BMEBTXNZGBEDTD-NUYPLMSZSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573662317 948025147 /nfs/dbraw/zinc/02/51/47/948025147.db2.gz BMEBTXNZGBEDTD-NUYPLMSZSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573662805 948030556 /nfs/dbraw/zinc/03/05/56/948030556.db2.gz GXNJQGMJAZNICD-LKSINWNRSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573662805 948030560 /nfs/dbraw/zinc/03/05/60/948030560.db2.gz GXNJQGMJAZNICD-LKSINWNRSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573404757 948030549 /nfs/dbraw/zinc/03/05/49/948030549.db2.gz WCALJYXBAMVBSP-IRXDYDNUSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573404757 948030558 /nfs/dbraw/zinc/03/05/58/948030558.db2.gz WCALJYXBAMVBSP-IRXDYDNUSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573406371 948050501 /nfs/dbraw/zinc/05/05/01/948050501.db2.gz BYUIYNBOEKINDC-HDJSIYSDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573406371 948050506 /nfs/dbraw/zinc/05/05/06/948050506.db2.gz BYUIYNBOEKINDC-HDJSIYSDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573413249 948079976 /nfs/dbraw/zinc/07/99/76/948079976.db2.gz AJBCHLFAOHLVRL-PXAZEXFGSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573413249 948079982 /nfs/dbraw/zinc/07/99/82/948079982.db2.gz AJBCHLFAOHLVRL-PXAZEXFGSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)[C@H]2C)C1 ZINC001573413640 948083968 /nfs/dbraw/zinc/08/39/68/948083968.db2.gz DWRBFLCWEPBWNY-PXAZEXFGSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)[C@H]2C)C1 ZINC001573413640 948083978 /nfs/dbraw/zinc/08/39/78/948083978.db2.gz DWRBFLCWEPBWNY-PXAZEXFGSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C)C1 ZINC001573413814 948086230 /nfs/dbraw/zinc/08/62/30/948086230.db2.gz GUYGNXOIQUQADI-YVEFUNNKSA-N 0 3 383.456 0.424 20 0 GCADHN Cc1sc(NC(=O)C[NH2+][C@H](CO)C2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000826349609 948093306 /nfs/dbraw/zinc/09/33/06/948093306.db2.gz NWUNNCVCDYMKJN-GFCCVEGCSA-N 0 3 380.474 0.861 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C[C@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573414707 948098111 /nfs/dbraw/zinc/09/81/11/948098111.db2.gz ODXFOGIWKDGDSV-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573415503 948111062 /nfs/dbraw/zinc/11/10/62/948111062.db2.gz VRTBHJPDGXSRFC-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573419095 948121375 /nfs/dbraw/zinc/12/13/75/948121375.db2.gz JQFHFXDSWFJZCY-WDEREUQCSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573419095 948121382 /nfs/dbraw/zinc/12/13/82/948121382.db2.gz JQFHFXDSWFJZCY-WDEREUQCSA-N 0 3 389.435 0.467 20 0 GCADHN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573677417 948136269 /nfs/dbraw/zinc/13/62/69/948136269.db2.gz AHFUKEPAUQCJAR-LRDDRELGSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573677417 948136274 /nfs/dbraw/zinc/13/62/74/948136274.db2.gz AHFUKEPAUQCJAR-LRDDRELGSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCCC1 ZINC001573677550 948139691 /nfs/dbraw/zinc/13/96/91/948139691.db2.gz XRAUQMCLMJYEHO-KBPBESRZSA-N 0 3 385.476 0.616 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573424369 948149330 /nfs/dbraw/zinc/14/93/30/948149330.db2.gz YWYUPEQYVSELEK-UHFFFAOYSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2CC([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573424369 948149335 /nfs/dbraw/zinc/14/93/35/948149335.db2.gz YWYUPEQYVSELEK-UHFFFAOYSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573678352 948149551 /nfs/dbraw/zinc/14/95/51/948149551.db2.gz CZKCKIGQJVMIGX-AAEUAGOBSA-N 0 3 388.403 0.969 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573425914 948152335 /nfs/dbraw/zinc/15/23/35/948152335.db2.gz DUYKXUWPOPJTBB-CZIWCDLHSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573425914 948152342 /nfs/dbraw/zinc/15/23/42/948152342.db2.gz DUYKXUWPOPJTBB-CZIWCDLHSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573426083 948154750 /nfs/dbraw/zinc/15/47/50/948154750.db2.gz HPFYNYWWYYCJBW-CZIWCDLHSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573426083 948154753 /nfs/dbraw/zinc/15/47/53/948154753.db2.gz HPFYNYWWYYCJBW-CZIWCDLHSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573679228 948160096 /nfs/dbraw/zinc/16/00/96/948160096.db2.gz JZGZIKNNAHBYGO-ZIAGYGMSSA-N 0 3 387.492 0.862 20 0 GCADHN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccnc1 ZINC001573679452 948162047 /nfs/dbraw/zinc/16/20/47/948162047.db2.gz IXKLINARGQWPHO-WCQYABFASA-N 0 3 387.469 0.694 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573427413 948164835 /nfs/dbraw/zinc/16/48/35/948164835.db2.gz YENCGRASWAVOHR-SAZUREKKSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573427413 948164839 /nfs/dbraw/zinc/16/48/39/948164839.db2.gz YENCGRASWAVOHR-SAZUREKKSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573428773 948167133 /nfs/dbraw/zinc/16/71/33/948167133.db2.gz BGIKWAZCICHYDM-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573429379 948171821 /nfs/dbraw/zinc/17/18/21/948171821.db2.gz HXKCVEDLHWTDTH-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573429379 948171826 /nfs/dbraw/zinc/17/18/26/948171826.db2.gz HXKCVEDLHWTDTH-ZDUSSCGKSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)n1cncn1 ZINC001573680827 948188025 /nfs/dbraw/zinc/18/80/25/948188025.db2.gz QKTZOFKMTBVBFJ-LRDDRELGSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)n1cncn1 ZINC001573680827 948188030 /nfs/dbraw/zinc/18/80/30/948188030.db2.gz QKTZOFKMTBVBFJ-LRDDRELGSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[NH+]1CCCCCC1 ZINC001573692324 948261679 /nfs/dbraw/zinc/26/16/79/948261679.db2.gz OEGQWGHBXZTRSA-CYBMUJFWSA-N 0 3 385.476 0.982 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccco1 ZINC001573692462 948264911 /nfs/dbraw/zinc/26/49/11/948264911.db2.gz PABAEUYZTVKHQV-YPMHNXCESA-N 0 3 388.403 0.969 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cccc1 ZINC001573692505 948265287 /nfs/dbraw/zinc/26/52/87/948265287.db2.gz PIBZVRAXJJBPNX-GXTWGEPZSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573693768 948286740 /nfs/dbraw/zinc/28/67/40/948286740.db2.gz SZUODAKIWAEYOU-KGLIPLIRSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCC1)n1cncn1 ZINC001573693849 948288460 /nfs/dbraw/zinc/28/84/60/948288460.db2.gz ZVLDVESVSLLSPQ-ZDUSSCGKSA-N 0 3 381.444 0.848 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)c1ccco1 ZINC001573693837 948288697 /nfs/dbraw/zinc/28/86/97/948288697.db2.gz UKUOFPVDOJQDAR-BXUZGUMPSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)c1ccco1 ZINC001573693837 948288704 /nfs/dbraw/zinc/28/87/04/948288704.db2.gz UKUOFPVDOJQDAR-BXUZGUMPSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)CNCc1cc(-c2nn[nH]n2)ccc1F)n1cccn1 ZINC001573694482 948296567 /nfs/dbraw/zinc/29/65/67/948296567.db2.gz WBHACJVVHKLCBE-SMDDNHRTSA-N 0 3 388.407 0.030 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573444420 948314998 /nfs/dbraw/zinc/31/49/98/948314998.db2.gz UMHCJZFZLFIKAK-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573444420 948315006 /nfs/dbraw/zinc/31/50/06/948315006.db2.gz UMHCJZFZLFIKAK-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573445081 948322735 /nfs/dbraw/zinc/32/27/35/948322735.db2.gz XZDJJXNNCUCZKQ-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573445081 948322743 /nfs/dbraw/zinc/32/27/43/948322743.db2.gz XZDJJXNNCUCZKQ-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573446452 948328738 /nfs/dbraw/zinc/32/87/38/948328738.db2.gz GUMDYZLXINHSFG-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573446452 948328745 /nfs/dbraw/zinc/32/87/45/948328745.db2.gz GUMDYZLXINHSFG-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573446594 948330707 /nfs/dbraw/zinc/33/07/07/948330707.db2.gz JOUFCHJEKYAVIB-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573446594 948330717 /nfs/dbraw/zinc/33/07/17/948330717.db2.gz JOUFCHJEKYAVIB-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573447099 948341527 /nfs/dbraw/zinc/34/15/27/948341527.db2.gz VGUPTTXWCBLQMJ-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573447099 948341533 /nfs/dbraw/zinc/34/15/33/948341533.db2.gz VGUPTTXWCBLQMJ-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573447099 948341543 /nfs/dbraw/zinc/34/15/43/948341543.db2.gz VGUPTTXWCBLQMJ-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573447099 948341553 /nfs/dbraw/zinc/34/15/53/948341553.db2.gz VGUPTTXWCBLQMJ-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCCCC1 ZINC001573715207 948485955 /nfs/dbraw/zinc/48/59/55/948485955.db2.gz QZNYMFFTCOECBW-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573716216 948496580 /nfs/dbraw/zinc/49/65/80/948496580.db2.gz DGYRPXBKRYMCMH-RYUDHWBXSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573716216 948496583 /nfs/dbraw/zinc/49/65/83/948496583.db2.gz DGYRPXBKRYMCMH-RYUDHWBXSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573728267 948560012 /nfs/dbraw/zinc/56/00/12/948560012.db2.gz CMOGRUVAOFFXEG-UMVBOHGHSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573728267 948560020 /nfs/dbraw/zinc/56/00/20/948560020.db2.gz CMOGRUVAOFFXEG-UMVBOHGHSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573731796 948597196 /nfs/dbraw/zinc/59/71/96/948597196.db2.gz ZEFQUEKRHKDNLI-UXIGCNINSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001573741023 948648865 /nfs/dbraw/zinc/64/88/65/948648865.db2.gz WYUWGQYGSOWKMJ-NXEZZACHSA-N 0 3 384.437 0.033 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573746755 948684901 /nfs/dbraw/zinc/68/49/01/948684901.db2.gz KWOLSALRAXCBDX-DANNLKNASA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573746755 948684902 /nfs/dbraw/zinc/68/49/02/948684902.db2.gz KWOLSALRAXCBDX-DANNLKNASA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)n1cncn1 ZINC001573751984 948709177 /nfs/dbraw/zinc/70/91/77/948709177.db2.gz JDLXJZDJNDDOCP-FWYOQMDTSA-N 0 3 379.428 0.266 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21)n1cncn1 ZINC001573751984 948709182 /nfs/dbraw/zinc/70/91/82/948709182.db2.gz JDLXJZDJNDDOCP-FWYOQMDTSA-N 0 3 379.428 0.266 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)n1cncn1 ZINC001573751984 948709190 /nfs/dbraw/zinc/70/91/90/948709190.db2.gz JDLXJZDJNDDOCP-FWYOQMDTSA-N 0 3 379.428 0.266 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21)n1cncn1 ZINC001573751984 948709197 /nfs/dbraw/zinc/70/91/97/948709197.db2.gz JDLXJZDJNDDOCP-FWYOQMDTSA-N 0 3 379.428 0.266 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573754010 948724283 /nfs/dbraw/zinc/72/42/83/948724283.db2.gz ZMCNFNDJLVYTNF-DRZSPHRISA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573754010 948724291 /nfs/dbraw/zinc/72/42/91/948724291.db2.gz ZMCNFNDJLVYTNF-DRZSPHRISA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](C(N)=O)[N@@H+]1CC[C@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573754559 948744501 /nfs/dbraw/zinc/74/45/01/948744501.db2.gz HVNPMKMBAKSCTR-AAEUAGOBSA-N 0 3 386.460 0.243 20 0 GCADHN C[C@@H](C(N)=O)[N@H+]1CC[C@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573754559 948744506 /nfs/dbraw/zinc/74/45/06/948744506.db2.gz HVNPMKMBAKSCTR-AAEUAGOBSA-N 0 3 386.460 0.243 20 0 GCADHN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917947 948830746 /nfs/dbraw/zinc/83/07/46/948830746.db2.gz CZCSFNSTKJWGQR-ZDUSSCGKSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917947 948830760 /nfs/dbraw/zinc/83/07/60/948830760.db2.gz CZCSFNSTKJWGQR-ZDUSSCGKSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574918787 948857934 /nfs/dbraw/zinc/85/79/34/948857934.db2.gz QKBWZBHKCCGCDE-GFCCVEGCSA-N 0 3 387.423 0.672 20 0 GCADHN C[C@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574918787 948857960 /nfs/dbraw/zinc/85/79/60/948857960.db2.gz QKBWZBHKCCGCDE-GFCCVEGCSA-N 0 3 387.423 0.672 20 0 GCADHN CC(C)(C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCC1 ZINC001573765231 948903276 /nfs/dbraw/zinc/90/32/76/948903276.db2.gz XCFHSNWARQBRPD-ZDUSSCGKSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574922983 948929491 /nfs/dbraw/zinc/92/94/91/948929491.db2.gz AQPRUYYXBNNEBF-CYBMUJFWSA-N 0 3 382.428 0.108 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574923124 948935080 /nfs/dbraw/zinc/93/50/80/948935080.db2.gz FCLCGGYFPPNNFS-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574923124 948935091 /nfs/dbraw/zinc/93/50/91/948935091.db2.gz FCLCGGYFPPNNFS-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)CCn1ccnn1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574923736 948960688 /nfs/dbraw/zinc/96/06/88/948960688.db2.gz ROXFOHKMSVSQRE-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CNC(=O)CCn1ccnn1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574923736 948960699 /nfs/dbraw/zinc/96/06/99/948960699.db2.gz ROXFOHKMSVSQRE-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN CC(C)(C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)F ZINC001573773333 948979828 /nfs/dbraw/zinc/97/98/28/948979828.db2.gz KZESJLXLQCTDAQ-SNVBAGLBSA-N 0 3 386.378 0.864 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574434286 948980078 /nfs/dbraw/zinc/98/00/78/948980078.db2.gz GKZVPENTEHIGPX-GFCCVEGCSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574434286 948980091 /nfs/dbraw/zinc/98/00/91/948980091.db2.gz GKZVPENTEHIGPX-GFCCVEGCSA-N 0 3 384.448 0.271 20 0 GCADHN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574926502 949003058 /nfs/dbraw/zinc/00/30/58/949003058.db2.gz SQZOTRYKEKJJAL-GFCCVEGCSA-N 0 3 375.481 0.799 20 0 GCADHN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574926502 949003074 /nfs/dbraw/zinc/00/30/74/949003074.db2.gz SQZOTRYKEKJJAL-GFCCVEGCSA-N 0 3 375.481 0.799 20 0 GCADHN CC(C)(C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001573778997 949048265 /nfs/dbraw/zinc/04/82/65/949048265.db2.gz BWMPGGLWFRNQFV-UHFFFAOYSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574927805 949049358 /nfs/dbraw/zinc/04/93/58/949049358.db2.gz LKEFMRUQNKGLCK-JTQLQIEISA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574927805 949049336 /nfs/dbraw/zinc/04/93/36/949049336.db2.gz LKEFMRUQNKGLCK-JTQLQIEISA-N 0 3 375.408 0.126 20 0 GCADHN CC(C)(C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCC1 ZINC001573779308 949058302 /nfs/dbraw/zinc/05/83/02/949058302.db2.gz GXJTUBLYINBDEN-ZDUSSCGKSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)COC[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574929203 949080135 /nfs/dbraw/zinc/08/01/35/949080135.db2.gz ASWXLSXRLNVQBE-HOCLYGCPSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CNC(=O)COC[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574929203 949080113 /nfs/dbraw/zinc/08/01/13/949080113.db2.gz ASWXLSXRLNVQBE-HOCLYGCPSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CNC(=O)COC[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574929203 949080150 /nfs/dbraw/zinc/08/01/50/949080150.db2.gz ASWXLSXRLNVQBE-HOCLYGCPSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CNC(=O)COC[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574929203 949080171 /nfs/dbraw/zinc/08/01/71/949080171.db2.gz ASWXLSXRLNVQBE-HOCLYGCPSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CNC(=O)COC[C@H]1CCCO1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574929201 949080956 /nfs/dbraw/zinc/08/09/56/949080956.db2.gz ASWXLSXRLNVQBE-GDBMZVCRSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CNC(=O)COC[C@H]1CCCO1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574929201 949080974 /nfs/dbraw/zinc/08/09/74/949080974.db2.gz ASWXLSXRLNVQBE-GDBMZVCRSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CNC(=O)COC[C@H]1CCCO1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574929201 949080994 /nfs/dbraw/zinc/08/09/94/949080994.db2.gz ASWXLSXRLNVQBE-GDBMZVCRSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CNC(=O)COC[C@H]1CCCO1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574929201 949080942 /nfs/dbraw/zinc/08/09/42/949080942.db2.gz ASWXLSXRLNVQBE-GDBMZVCRSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1ncccc1-c1nn[n-]n1 ZINC001574929170 949081798 /nfs/dbraw/zinc/08/17/98/949081798.db2.gz AGQYATGAVXPVOF-ZDUSSCGKSA-N 0 3 388.476 0.537 20 0 GCADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1ncccc1-c1nnn[n-]1 ZINC001574929170 949081777 /nfs/dbraw/zinc/08/17/77/949081777.db2.gz AGQYATGAVXPVOF-ZDUSSCGKSA-N 0 3 388.476 0.537 20 0 GCADHN CC(C)[C@H](C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574694680 949087748 /nfs/dbraw/zinc/08/77/48/949087748.db2.gz ULMXKTGELNKYTL-BXUZGUMPSA-N 0 3 376.465 0.358 20 0 GCADHN CC(C)[C@H](C(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+](C)C ZINC001574694807 949097152 /nfs/dbraw/zinc/09/71/52/949097152.db2.gz WPCZVSAYZDBZOO-BXUZGUMPSA-N 0 3 376.465 0.358 20 0 GCADHN CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574093586 949110048 /nfs/dbraw/zinc/11/00/48/949110048.db2.gz WDILZUKAEKRYFJ-CABCVRRESA-N 0 3 384.488 0.792 20 0 GCADHN CC(C)(C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)[NH+]1CCCC1 ZINC001573782899 949137496 /nfs/dbraw/zinc/13/74/96/949137496.db2.gz ZGMAPCGNYPIKBV-UHFFFAOYSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574698484 949195748 /nfs/dbraw/zinc/19/57/48/949195748.db2.gz LLPSQWKKFKQLLZ-VXGBXAGGSA-N 0 3 387.423 0.795 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574451211 949223408 /nfs/dbraw/zinc/22/34/08/949223408.db2.gz HJRBXZLTLYTOFW-CQSZACIVSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1oncc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574451211 949223426 /nfs/dbraw/zinc/22/34/26/949223426.db2.gz HJRBXZLTLYTOFW-CQSZACIVSA-N 0 3 385.428 0.859 20 0 GCADHN C[C@H]1CCCC[C@@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576153759 949295078 /nfs/dbraw/zinc/29/50/78/949295078.db2.gz AUQNOZUHKVKBQT-SGTLLEGYSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)Cc1ccn(C)n1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574941244 949298652 /nfs/dbraw/zinc/29/86/52/949298652.db2.gz CAHKEEIYEGMDED-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)Cc1ccn(C)n1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574941244 949298669 /nfs/dbraw/zinc/29/86/69/949298669.db2.gz CAHKEEIYEGMDED-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574705142 949415826 /nfs/dbraw/zinc/41/58/26/949415826.db2.gz RNRLJNJAZAJVGJ-SMDDNHRTSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265563 949452155 /nfs/dbraw/zinc/45/21/55/949452155.db2.gz USWCLEBOXGDOGU-RYUDHWBXSA-N 0 3 375.502 0.816 20 0 GCADHN C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265563 949452171 /nfs/dbraw/zinc/45/21/71/949452171.db2.gz USWCLEBOXGDOGU-RYUDHWBXSA-N 0 3 375.502 0.816 20 0 GCADHN C[C@H]1CCCC[C@@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576156718 949459127 /nfs/dbraw/zinc/45/91/27/949459127.db2.gz OJNZJEGWMONNLX-SGTLLEGYSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573804614 949471415 /nfs/dbraw/zinc/47/14/15/949471415.db2.gz YCJMTRSGWMUFAO-GASCZTMLSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573804614 949471435 /nfs/dbraw/zinc/47/14/35/949471435.db2.gz YCJMTRSGWMUFAO-GASCZTMLSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574708078 949483997 /nfs/dbraw/zinc/48/39/97/949483997.db2.gz SPRDAURQXLBRAS-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574708078 949484015 /nfs/dbraw/zinc/48/40/15/949484015.db2.gz SPRDAURQXLBRAS-SWLSCSKDSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574708246 949487245 /nfs/dbraw/zinc/48/72/45/949487245.db2.gz UTLBVXSYNXKPOC-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574708246 949487255 /nfs/dbraw/zinc/48/72/55/949487255.db2.gz UTLBVXSYNXKPOC-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574710867 949514974 /nfs/dbraw/zinc/51/49/74/949514974.db2.gz BQZBCSGJEMTUDP-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574710867 949514981 /nfs/dbraw/zinc/51/49/81/949514981.db2.gz BQZBCSGJEMTUDP-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1COCCO1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711334 949533587 /nfs/dbraw/zinc/53/35/87/949533587.db2.gz GJEUFAXMRGSLJZ-ABAIWWIYSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1COCCO1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711334 949533600 /nfs/dbraw/zinc/53/36/00/949533600.db2.gz GJEUFAXMRGSLJZ-ABAIWWIYSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@@H](CC(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574471433 949537288 /nfs/dbraw/zinc/53/72/88/949537288.db2.gz MTXUUOJYSHPZAL-HSBZDZAISA-N 0 3 381.444 0.933 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574711396 949537975 /nfs/dbraw/zinc/53/79/75/949537975.db2.gz GRKNTZUNYBBIRY-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574711505 949540302 /nfs/dbraw/zinc/54/03/02/949540302.db2.gz IBRAWFLWKNMQKZ-RNCFNFMXSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576164232 949548733 /nfs/dbraw/zinc/54/87/33/949548733.db2.gz FKCPFZHIFBIPCT-TZMCWYRMSA-N 0 3 388.476 0.599 20 0 GCADHN C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576164232 949548741 /nfs/dbraw/zinc/54/87/41/949548741.db2.gz FKCPFZHIFBIPCT-TZMCWYRMSA-N 0 3 388.476 0.599 20 0 GCADHN C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001575269749 949561452 /nfs/dbraw/zinc/56/14/52/949561452.db2.gz WSJUODFLEPKSSO-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575269706 949563518 /nfs/dbraw/zinc/56/35/18/949563518.db2.gz WNHFGHZEVKQDRT-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575269706 949563540 /nfs/dbraw/zinc/56/35/40/949563540.db2.gz WNHFGHZEVKQDRT-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574712161 949569648 /nfs/dbraw/zinc/56/96/48/949569648.db2.gz PSOGAFJPYDUYAF-KGLIPLIRSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574712161 949569658 /nfs/dbraw/zinc/56/96/58/949569658.db2.gz PSOGAFJPYDUYAF-KGLIPLIRSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575270053 949570178 /nfs/dbraw/zinc/57/01/78/949570178.db2.gz AMMBSPSIYXICSE-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575270053 949570188 /nfs/dbraw/zinc/57/01/88/949570188.db2.gz AMMBSPSIYXICSE-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574712160 949571854 /nfs/dbraw/zinc/57/18/54/949571854.db2.gz PSOGAFJPYDUYAF-KBPBESRZSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574712160 949571885 /nfs/dbraw/zinc/57/18/85/949571885.db2.gz PSOGAFJPYDUYAF-KBPBESRZSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574955826 949572420 /nfs/dbraw/zinc/57/24/20/949572420.db2.gz FNIZTCZLMSMJLR-HZMBPMFUSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574955826 949572432 /nfs/dbraw/zinc/57/24/32/949572432.db2.gz FNIZTCZLMSMJLR-HZMBPMFUSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001575270055 949572835 /nfs/dbraw/zinc/57/28/35/949572835.db2.gz AMMBSPSIYXICSE-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001575270055 949572849 /nfs/dbraw/zinc/57/28/49/949572849.db2.gz AMMBSPSIYXICSE-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001575270334 949586932 /nfs/dbraw/zinc/58/69/32/949586932.db2.gz CEYMPGUKALQOGO-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001575270334 949586952 /nfs/dbraw/zinc/58/69/52/949586952.db2.gz CEYMPGUKALQOGO-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811338 949602120 /nfs/dbraw/zinc/60/21/20/949602120.db2.gz KLPKDYMLEIZEQI-HUUCEWRRSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811338 949602131 /nfs/dbraw/zinc/60/21/31/949602131.db2.gz KLPKDYMLEIZEQI-HUUCEWRRSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575271094 949608999 /nfs/dbraw/zinc/60/89/99/949608999.db2.gz IDMYCDCKBYJUDD-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575271094 949609020 /nfs/dbraw/zinc/60/90/20/949609020.db2.gz IDMYCDCKBYJUDD-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874707 949617050 /nfs/dbraw/zinc/61/70/50/949617050.db2.gz UDZVHLCRYCWPQK-RYUDHWBXSA-N 0 3 384.444 0.010 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575271427 949620148 /nfs/dbraw/zinc/62/01/48/949620148.db2.gz KHBJXXORISWSLT-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575271427 949620156 /nfs/dbraw/zinc/62/01/56/949620156.db2.gz KHBJXXORISWSLT-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001573812818 949620977 /nfs/dbraw/zinc/62/09/77/949620977.db2.gz UVEPBQCQRPCXTL-JKSUJKDBSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001573812818 949620988 /nfs/dbraw/zinc/62/09/88/949620988.db2.gz UVEPBQCQRPCXTL-JKSUJKDBSA-N 0 3 388.472 0.903 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813204 949625839 /nfs/dbraw/zinc/62/58/39/949625839.db2.gz WWJDMJYKVIGXKU-QLFBSQMISA-N 0 3 385.472 0.609 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813204 949625851 /nfs/dbraw/zinc/62/58/51/949625851.db2.gz WWJDMJYKVIGXKU-QLFBSQMISA-N 0 3 385.472 0.609 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813339 949630945 /nfs/dbraw/zinc/63/09/45/949630945.db2.gz YPZQCEMXCSGREF-QLFBSQMISA-N 0 3 385.472 0.609 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813339 949630958 /nfs/dbraw/zinc/63/09/58/949630958.db2.gz YPZQCEMXCSGREF-QLFBSQMISA-N 0 3 385.472 0.609 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574714566 949632731 /nfs/dbraw/zinc/63/27/31/949632731.db2.gz FMARAINJQOTLQG-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574714566 949632738 /nfs/dbraw/zinc/63/27/38/949632738.db2.gz FMARAINJQOTLQG-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575273020 949655558 /nfs/dbraw/zinc/65/55/58/949655558.db2.gz UQVDLVZGFMBKAU-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575273020 949655566 /nfs/dbraw/zinc/65/55/66/949655566.db2.gz UQVDLVZGFMBKAU-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccncc1-c1nn[nH]n1 ZINC001574958240 949661451 /nfs/dbraw/zinc/66/14/51/949661451.db2.gz HKEBZEJKIHEMNU-YNEHKIRRSA-N 0 3 381.444 0.385 20 0 GCADHN C[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001576169349 949675911 /nfs/dbraw/zinc/67/59/11/949675911.db2.gz GUCLWPSFZXBMCA-QWHCGFSZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576170499 949717895 /nfs/dbraw/zinc/71/78/95/949717895.db2.gz LNCXCRKBLSQCSR-JHJVBQTASA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881502 949722512 /nfs/dbraw/zinc/72/25/12/949722512.db2.gz YQYCFQSGUMBTDR-RISCZKNCSA-N 0 3 376.440 0.826 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881502 949722530 /nfs/dbraw/zinc/72/25/30/949722530.db2.gz YQYCFQSGUMBTDR-RISCZKNCSA-N 0 3 376.440 0.826 20 0 GCADHN C[C@@H]1[C@H](NC(=O)Cn2cncn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575882006 949749424 /nfs/dbraw/zinc/74/94/24/949749424.db2.gz FEPGMAXHSIFRLI-CZUORRHYSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H](CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574718038 949756165 /nfs/dbraw/zinc/75/61/65/949756165.db2.gz YLAWEERDUJZQTI-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574718038 949756195 /nfs/dbraw/zinc/75/61/95/949756195.db2.gz YLAWEERDUJZQTI-GHMZBOCLSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718214 949766684 /nfs/dbraw/zinc/76/66/84/949766684.db2.gz TXLQSZOVLKAOEE-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718214 949766705 /nfs/dbraw/zinc/76/67/05/949766705.db2.gz TXLQSZOVLKAOEE-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718214 949766719 /nfs/dbraw/zinc/76/67/19/949766719.db2.gz TXLQSZOVLKAOEE-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718214 949766734 /nfs/dbraw/zinc/76/67/34/949766734.db2.gz TXLQSZOVLKAOEE-OCCSQVGLSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574964148 949766856 /nfs/dbraw/zinc/76/68/56/949766856.db2.gz QUMHHYBFXSICPY-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574964148 949766874 /nfs/dbraw/zinc/76/68/74/949766874.db2.gz QUMHHYBFXSICPY-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574964148 949766895 /nfs/dbraw/zinc/76/68/95/949766895.db2.gz QUMHHYBFXSICPY-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574964148 949766918 /nfs/dbraw/zinc/76/69/18/949766918.db2.gz QUMHHYBFXSICPY-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575280880 949793006 /nfs/dbraw/zinc/79/30/06/949793006.db2.gz BATUBCRGCYGNDK-STQMWFEESA-N 0 3 388.476 0.678 20 0 GCADHN C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575280880 949793025 /nfs/dbraw/zinc/79/30/25/949793025.db2.gz BATUBCRGCYGNDK-STQMWFEESA-N 0 3 388.476 0.678 20 0 GCADHN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576172266 949795571 /nfs/dbraw/zinc/79/55/71/949795571.db2.gz WALAHXNWICFZHO-DOMZBBRYSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576172266 949795589 /nfs/dbraw/zinc/79/55/89/949795589.db2.gz WALAHXNWICFZHO-DOMZBBRYSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575882880 949796768 /nfs/dbraw/zinc/79/67/68/949796768.db2.gz BKCBLLJCUBYLDD-DGCLKSJQSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575882880 949796783 /nfs/dbraw/zinc/79/67/83/949796783.db2.gz BKCBLLJCUBYLDD-DGCLKSJQSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575882884 949797664 /nfs/dbraw/zinc/79/76/64/949797664.db2.gz BKCBLLJCUBYLDD-YPMHNXCESA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575882884 949797686 /nfs/dbraw/zinc/79/76/86/949797686.db2.gz BKCBLLJCUBYLDD-YPMHNXCESA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574720610 949800894 /nfs/dbraw/zinc/80/08/94/949800894.db2.gz DUIJRNVVZVKJPB-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574720610 949800915 /nfs/dbraw/zinc/80/09/15/949800915.db2.gz DUIJRNVVZVKJPB-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575883572 949817576 /nfs/dbraw/zinc/81/75/76/949817576.db2.gz RLGAAOJFIKSJNR-WCQYABFASA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575883572 949817598 /nfs/dbraw/zinc/81/75/98/949817598.db2.gz RLGAAOJFIKSJNR-WCQYABFASA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574721501 949818417 /nfs/dbraw/zinc/81/84/17/949818417.db2.gz MPOQOZPJJMLYPT-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001576172855 949820183 /nfs/dbraw/zinc/82/01/83/949820183.db2.gz YSQVJRAJCFSKQE-QWHCGFSZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001576172855 949820202 /nfs/dbraw/zinc/82/02/02/949820202.db2.gz YSQVJRAJCFSKQE-QWHCGFSZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001576172848 949821727 /nfs/dbraw/zinc/82/17/27/949821727.db2.gz YSQVJRAJCFSKQE-CHWSQXEVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001576172848 949821745 /nfs/dbraw/zinc/82/17/45/949821745.db2.gz YSQVJRAJCFSKQE-CHWSQXEVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CCC[NH+](C)C ZINC001575884005 949833837 /nfs/dbraw/zinc/83/38/37/949833837.db2.gz UDOZYTXVZWVQCS-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CCC[NH+](C)C ZINC001575884005 949833859 /nfs/dbraw/zinc/83/38/59/949833859.db2.gz UDOZYTXVZWVQCS-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283683 949879905 /nfs/dbraw/zinc/87/99/05/949879905.db2.gz QUPDLCCVLGLEHE-RYUDHWBXSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H](C[NH2+][C@@H](C)C(=O)N1CCC(C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576178218 949881284 /nfs/dbraw/zinc/88/12/84/949881284.db2.gz GNNDDEHAKDNLGZ-OLZOCXBDSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1ccnn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574725601 949904897 /nfs/dbraw/zinc/90/48/97/949904897.db2.gz SZBFRCYNCLXDPS-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1ccnn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574725601 949904914 /nfs/dbraw/zinc/90/49/14/949904914.db2.gz SZBFRCYNCLXDPS-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574725687 949909816 /nfs/dbraw/zinc/90/98/16/949909816.db2.gz AQZGHKOTHPFACB-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576179542 949918188 /nfs/dbraw/zinc/91/81/88/949918188.db2.gz ASHSRODZEKNOKS-ZDUSSCGKSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284928 949928236 /nfs/dbraw/zinc/92/82/36/949928236.db2.gz XEDUXXZQUWQEGJ-COPLHBTASA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574487623 949933577 /nfs/dbraw/zinc/93/35/77/949933577.db2.gz AMMZMUHMTMNLSW-KZULUSFZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574487623 949933590 /nfs/dbraw/zinc/93/35/90/949933590.db2.gz AMMZMUHMTMNLSW-KZULUSFZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](NC(=O)C[NH2+][C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)C1CC1 ZINC001575285145 949937024 /nfs/dbraw/zinc/93/70/24/949937024.db2.gz ZDSNRRCCTJHCIM-BONVTDFDSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574726600 949942844 /nfs/dbraw/zinc/94/28/44/949942844.db2.gz KWSQRFZLWJWPED-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574726600 949942862 /nfs/dbraw/zinc/94/28/62/949942862.db2.gz KWSQRFZLWJWPED-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576180173 949945410 /nfs/dbraw/zinc/94/54/10/949945410.db2.gz CQGBEZHBRCPYOV-CHWSQXEVSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576180179 949945528 /nfs/dbraw/zinc/94/55/28/949945528.db2.gz CQGBEZHBRCPYOV-STQMWFEESA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574726950 949947653 /nfs/dbraw/zinc/94/76/53/949947653.db2.gz MXDKCQRJSWMCSE-CYBMUJFWSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574726950 949947675 /nfs/dbraw/zinc/94/76/75/949947675.db2.gz MXDKCQRJSWMCSE-CYBMUJFWSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@@H](CC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574489333 949956721 /nfs/dbraw/zinc/95/67/21/949956721.db2.gz INQCKMKIQXUXAW-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574489333 949956739 /nfs/dbraw/zinc/95/67/39/949956739.db2.gz INQCKMKIQXUXAW-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CN(C)C(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574727421 949962899 /nfs/dbraw/zinc/96/28/99/949962899.db2.gz SFPLSKMKWYAMDI-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576180954 949979170 /nfs/dbraw/zinc/97/91/70/949979170.db2.gz GEDKJHHCIUMPBZ-OLZOCXBDSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576180954 949979193 /nfs/dbraw/zinc/97/91/93/949979193.db2.gz GEDKJHHCIUMPBZ-OLZOCXBDSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1ccnc1 ZINC001574490417 949997326 /nfs/dbraw/zinc/99/73/26/949997326.db2.gz RGNONSIAINFISQ-BLLLJJGKSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574729084 950018464 /nfs/dbraw/zinc/01/84/64/950018464.db2.gz NKGJMTIHSOSGBA-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574729084 950018486 /nfs/dbraw/zinc/01/84/86/950018486.db2.gz NKGJMTIHSOSGBA-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574150336 950024530 /nfs/dbraw/zinc/02/45/30/950024530.db2.gz BJURXKQELVHNSB-HUUCEWRRSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574150336 950024556 /nfs/dbraw/zinc/02/45/56/950024556.db2.gz BJURXKQELVHNSB-HUUCEWRRSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150335 950025657 /nfs/dbraw/zinc/02/56/57/950025657.db2.gz BJURXKQELVHNSB-GJZGRUSLSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150335 950025675 /nfs/dbraw/zinc/02/56/75/950025675.db2.gz BJURXKQELVHNSB-GJZGRUSLSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574150679 950038386 /nfs/dbraw/zinc/03/83/86/950038386.db2.gz DGLNKXHEURHYFR-AWEZNQCLSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574150679 950038405 /nfs/dbraw/zinc/03/84/05/950038405.db2.gz DGLNKXHEURHYFR-AWEZNQCLSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151476 950078960 /nfs/dbraw/zinc/07/89/60/950078960.db2.gz SOBMYBNZULMRBN-AAEUAGOBSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCCOC1 ZINC001575577881 950086679 /nfs/dbraw/zinc/08/66/79/950086679.db2.gz XXQFQYPSWCFCBO-ACJLOTCBSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@H](CC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574492474 950088338 /nfs/dbraw/zinc/08/83/38/950088338.db2.gz NFWXMYXDMMVMQE-NUYPLMSZSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574492474 950088358 /nfs/dbraw/zinc/08/83/58/950088358.db2.gz NFWXMYXDMMVMQE-NUYPLMSZSA-N 0 3 386.460 0.298 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1nnn(C)n1 ZINC001574152331 950100799 /nfs/dbraw/zinc/10/07/99/950100799.db2.gz AAWOXIJNKVQYFK-AWEZNQCLSA-N 0 3 384.448 0.325 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1nnn(C)n1 ZINC001574152331 950100814 /nfs/dbraw/zinc/10/08/14/950100814.db2.gz AAWOXIJNKVQYFK-AWEZNQCLSA-N 0 3 384.448 0.325 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC001574977999 950130524 /nfs/dbraw/zinc/13/05/24/950130524.db2.gz PCOSDVHBVIRMPG-TZMCWYRMSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574734250 950133474 /nfs/dbraw/zinc/13/34/74/950133474.db2.gz LKEXILULXPCSHI-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN CC(C)[C@H](CNC(=O)C[C@@H](C)NC(N)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574493878 950142064 /nfs/dbraw/zinc/14/20/64/950142064.db2.gz IKBPTTFVTKNZAA-DOMZBBRYSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)[C@H](CNC(=O)C[C@@H](C)NC(N)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574493878 950142077 /nfs/dbraw/zinc/14/20/77/950142077.db2.gz IKBPTTFVTKNZAA-DOMZBBRYSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1COC(=O)N1 ZINC001574153670 950147956 /nfs/dbraw/zinc/14/79/56/950147956.db2.gz VRGLAGSVUQZSOZ-DZGCQCFKSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1COC(=O)N1 ZINC001574153670 950147978 /nfs/dbraw/zinc/14/79/78/950147978.db2.gz VRGLAGSVUQZSOZ-DZGCQCFKSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576190393 950164091 /nfs/dbraw/zinc/16/40/91/950164091.db2.gz ARGUYYXPTWKKGM-TZMCWYRMSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576190393 950164102 /nfs/dbraw/zinc/16/41/02/950164102.db2.gz ARGUYYXPTWKKGM-TZMCWYRMSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)NC(N)=O ZINC001574494674 950180321 /nfs/dbraw/zinc/18/03/21/950180321.db2.gz MOCJAYRONFJJAK-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)NC(N)=O ZINC001574494674 950180335 /nfs/dbraw/zinc/18/03/35/950180335.db2.gz MOCJAYRONFJJAK-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574982783 950182487 /nfs/dbraw/zinc/18/24/87/950182487.db2.gz GWMAQTRZJZKTKT-SECBINFHSA-N 0 3 386.391 0.341 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)n1 ZINC001575900245 950190053 /nfs/dbraw/zinc/19/00/53/950190053.db2.gz CPHIGFWGAXYOQZ-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)n1 ZINC001575900245 950190064 /nfs/dbraw/zinc/19/00/64/950190064.db2.gz CPHIGFWGAXYOQZ-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574983116 950199415 /nfs/dbraw/zinc/19/94/15/950199415.db2.gz KFLTVZSOFZINJU-NWDGAFQWSA-N 0 3 376.465 0.406 20 0 GCADHN CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983116 950199419 /nfs/dbraw/zinc/19/94/19/950199419.db2.gz KFLTVZSOFZINJU-NWDGAFQWSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001574739929 950213356 /nfs/dbraw/zinc/21/33/56/950213356.db2.gz ZJXTYNLDEIATPX-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574739954 950213871 /nfs/dbraw/zinc/21/38/71/950213871.db2.gz ABOCIVVOULQMIG-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574739954 950213885 /nfs/dbraw/zinc/21/38/85/950213885.db2.gz ABOCIVVOULQMIG-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)CCCC(N)=O ZINC001575901065 950217547 /nfs/dbraw/zinc/21/75/47/950217547.db2.gz KLPMPDKKAYYYAL-XHDPSFHLSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001576191978 950220185 /nfs/dbraw/zinc/22/01/85/950220185.db2.gz KYFATSZZCCKHLT-DZGCQCFKSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C[NH2+]CCn1cccn1 ZINC001576191978 950220207 /nfs/dbraw/zinc/22/02/07/950220207.db2.gz KYFATSZZCCKHLT-DZGCQCFKSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC001574983397 950220208 /nfs/dbraw/zinc/22/02/08/950220208.db2.gz OISMZXMQRGNCLQ-RYUDHWBXSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC001574983397 950220229 /nfs/dbraw/zinc/22/02/29/950220229.db2.gz OISMZXMQRGNCLQ-RYUDHWBXSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191949 950220988 /nfs/dbraw/zinc/22/09/88/950220988.db2.gz KUZUVSGALKWOMT-IUODEOHRSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191949 950221005 /nfs/dbraw/zinc/22/10/05/950221005.db2.gz KUZUVSGALKWOMT-IUODEOHRSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576192137 950228191 /nfs/dbraw/zinc/22/81/91/950228191.db2.gz LXKMKVUPIOJNKR-CHWSQXEVSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@@H]1[C@H]([NH2+]CC(=O)NCC2CCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575901446 950234452 /nfs/dbraw/zinc/23/44/52/950234452.db2.gz NPMPSVWHWFCWKR-BXUZGUMPSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CC(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574497698 950237370 /nfs/dbraw/zinc/23/73/70/950237370.db2.gz BEMQHKAETYSOJV-ZOODHJKOSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574497698 950237383 /nfs/dbraw/zinc/23/73/83/950237383.db2.gz BEMQHKAETYSOJV-ZOODHJKOSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnnn1C ZINC001575901637 950238353 /nfs/dbraw/zinc/23/83/53/950238353.db2.gz PGOHAHKXUNBLPC-YGRLFVJLSA-N 0 3 385.407 0.527 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+][C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573846218 950246401 /nfs/dbraw/zinc/24/64/01/950246401.db2.gz PBPILNBOLNOXGS-CQSZACIVSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001574741603 950247825 /nfs/dbraw/zinc/24/78/25/950247825.db2.gz JXIKNXNGXIFRQA-LBPRGKRZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575902086 950250541 /nfs/dbraw/zinc/25/05/41/950250541.db2.gz SEHAVKKOANHVDT-JSGCOSHPSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573846984 950253905 /nfs/dbraw/zinc/25/39/05/950253905.db2.gz XABBZFWHSQPNKS-LBPRGKRZSA-N 0 3 388.476 0.409 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573846984 950253922 /nfs/dbraw/zinc/25/39/22/950253922.db2.gz XABBZFWHSQPNKS-LBPRGKRZSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cn(C)nc1C(F)F ZINC001574984141 950260322 /nfs/dbraw/zinc/26/03/22/950260322.db2.gz VWHXTBLHCBAKLW-MRVPVSSYSA-N 0 3 379.375 0.774 20 0 GCADHN C[C@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cn(C)nn1 ZINC001575902441 950260758 /nfs/dbraw/zinc/26/07/58/950260758.db2.gz UYQSWIKQKJUUJX-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cncn1 ZINC001575902641 950261977 /nfs/dbraw/zinc/26/19/77/950261977.db2.gz WEZXNZSVEMEJBU-ABAIWWIYSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@@H](CC(=O)NCC1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574498298 950271044 /nfs/dbraw/zinc/27/10/44/950271044.db2.gz LYBFWEPOKNNDDH-ZOODHJKOSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574498298 950271064 /nfs/dbraw/zinc/27/10/64/950271064.db2.gz LYBFWEPOKNNDDH-ZOODHJKOSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001576192889 950271169 /nfs/dbraw/zinc/27/11/69/950271169.db2.gz REPVHMDYYIKECG-DGCLKSJQSA-N 0 3 384.448 0.211 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001576192889 950271186 /nfs/dbraw/zinc/27/11/86/950271186.db2.gz REPVHMDYYIKECG-DGCLKSJQSA-N 0 3 384.448 0.211 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001574984417 950273275 /nfs/dbraw/zinc/27/32/75/950273275.db2.gz ZJQMJPFFKJJXQT-BXUZGUMPSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001574984417 950273296 /nfs/dbraw/zinc/27/32/96/950273296.db2.gz ZJQMJPFFKJJXQT-BXUZGUMPSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574742360 950285337 /nfs/dbraw/zinc/28/53/37/950285337.db2.gz OLHMNXYNFUJMOF-XPKDYRNWSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574742360 950285355 /nfs/dbraw/zinc/28/53/55/950285355.db2.gz OLHMNXYNFUJMOF-XPKDYRNWSA-N 0 3 385.472 0.705 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573851202 950286705 /nfs/dbraw/zinc/28/67/05/950286705.db2.gz UPIXHNRLXYQWGJ-YPMHNXCESA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccn1 ZINC001574499159 950295217 /nfs/dbraw/zinc/29/52/17/950295217.db2.gz SIQAPBQRCIYYTN-CZUORRHYSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC001574499159 950295233 /nfs/dbraw/zinc/29/52/33/950295233.db2.gz SIQAPBQRCIYYTN-CZUORRHYSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cccn1 ZINC001575905702 950297942 /nfs/dbraw/zinc/29/79/42/950297942.db2.gz DKKROFGCISFSPS-LRDDRELGSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cccn1 ZINC001575905702 950297962 /nfs/dbraw/zinc/29/79/62/950297962.db2.gz DKKROFGCISFSPS-LRDDRELGSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576193447 950302439 /nfs/dbraw/zinc/30/24/39/950302439.db2.gz VCBOSCGPPKYHOF-AAEUAGOBSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574987810 950302878 /nfs/dbraw/zinc/30/28/78/950302878.db2.gz HORHROWSLFOXFD-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574987810 950302900 /nfs/dbraw/zinc/30/29/00/950302900.db2.gz HORHROWSLFOXFD-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574987810 950302926 /nfs/dbraw/zinc/30/29/26/950302926.db2.gz HORHROWSLFOXFD-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574987810 950302948 /nfs/dbraw/zinc/30/29/48/950302948.db2.gz HORHROWSLFOXFD-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)C2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576193647 950304709 /nfs/dbraw/zinc/30/47/09/950304709.db2.gz VDNMYDVDDMKTOT-XGNXJENSSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576193647 950304729 /nfs/dbraw/zinc/30/47/29/950304729.db2.gz VDNMYDVDDMKTOT-XGNXJENSSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1ccnc1 ZINC001574499740 950305599 /nfs/dbraw/zinc/30/55/99/950305599.db2.gz WQIHAGZLRQGXBM-HIFRSBDPSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1ccnc1 ZINC001574499740 950305622 /nfs/dbraw/zinc/30/56/22/950305622.db2.gz WQIHAGZLRQGXBM-HIFRSBDPSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C12CCC[NH+]1CCC2 ZINC001574742895 950309163 /nfs/dbraw/zinc/30/91/63/950309163.db2.gz QFIRAJQLCUUDDF-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C12CCC[NH+]1CCC2 ZINC001574742895 950309190 /nfs/dbraw/zinc/30/91/90/950309190.db2.gz QFIRAJQLCUUDDF-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576193736 950310550 /nfs/dbraw/zinc/31/05/50/950310550.db2.gz WPSUXNHHIPTANH-GXTWGEPZSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576193736 950310567 /nfs/dbraw/zinc/31/05/67/950310567.db2.gz WPSUXNHHIPTANH-GXTWGEPZSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cncn1 ZINC001575906364 950312178 /nfs/dbraw/zinc/31/21/78/950312178.db2.gz HYVOVHNYEHMUFA-IAQYHMDHSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC1CC[NH+](C)CC1 ZINC001574743054 950314984 /nfs/dbraw/zinc/31/49/84/950314984.db2.gz RNLWKFLJPACQGH-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC1CC[NH+](C)CC1 ZINC001574743054 950315006 /nfs/dbraw/zinc/31/50/06/950315006.db2.gz RNLWKFLJPACQGH-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CN1CCCC1=O ZINC001575906524 950315346 /nfs/dbraw/zinc/31/53/46/950315346.db2.gz ISXDVCDQIAXJBK-CJNGLKHVSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CN1CCCC1=O ZINC001575906524 950315366 /nfs/dbraw/zinc/31/53/66/950315366.db2.gz ISXDVCDQIAXJBK-CJNGLKHVSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575907807 950342249 /nfs/dbraw/zinc/34/22/49/950342249.db2.gz QYDLTBSBTZNCQT-XHDPSFHLSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575907807 950342263 /nfs/dbraw/zinc/34/22/63/950342263.db2.gz QYDLTBSBTZNCQT-XHDPSFHLSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCNC(N)=O ZINC001575907774 950343368 /nfs/dbraw/zinc/34/33/68/950343368.db2.gz QJQFBCBBZFZRAQ-QMTHXVAHSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196283 950361006 /nfs/dbraw/zinc/36/10/06/950361006.db2.gz CGAOPXTUJSGEFB-UONOGXRCSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1nccnc1N ZINC001575908490 950363528 /nfs/dbraw/zinc/36/35/28/950363528.db2.gz CGBQZTSJMWVCDK-RISCZKNCSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1nccnc1N ZINC001575908490 950363550 /nfs/dbraw/zinc/36/35/50/950363550.db2.gz CGBQZTSJMWVCDK-RISCZKNCSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cncn1C ZINC001575908435 950363744 /nfs/dbraw/zinc/36/37/44/950363744.db2.gz BZRRKPOYZLOGTQ-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cncn1C ZINC001575908435 950363764 /nfs/dbraw/zinc/36/37/64/950363764.db2.gz BZRRKPOYZLOGTQ-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cncn1C ZINC001575908431 950364189 /nfs/dbraw/zinc/36/41/89/950364189.db2.gz BZRRKPOYZLOGTQ-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cncn1C ZINC001575908431 950364205 /nfs/dbraw/zinc/36/42/05/950364205.db2.gz BZRRKPOYZLOGTQ-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573855340 950367932 /nfs/dbraw/zinc/36/79/32/950367932.db2.gz QYCXUHPSPCFNKK-UHFFFAOYSA-N 0 3 388.476 0.740 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573855340 950367953 /nfs/dbraw/zinc/36/79/53/950367953.db2.gz QYCXUHPSPCFNKK-UHFFFAOYSA-N 0 3 388.476 0.740 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574989488 950368912 /nfs/dbraw/zinc/36/89/12/950368912.db2.gz ZTALVPZIRPMUMD-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001574989488 950368932 /nfs/dbraw/zinc/36/89/32/950368932.db2.gz ZTALVPZIRPMUMD-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574989488 950368956 /nfs/dbraw/zinc/36/89/56/950368956.db2.gz ZTALVPZIRPMUMD-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001574989488 950368974 /nfs/dbraw/zinc/36/89/74/950368974.db2.gz ZTALVPZIRPMUMD-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576196705 950369114 /nfs/dbraw/zinc/36/91/14/950369114.db2.gz GDJOCQARHFCDMS-OLZOCXBDSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576196705 950369139 /nfs/dbraw/zinc/36/91/39/950369139.db2.gz GDJOCQARHFCDMS-OLZOCXBDSA-N 0 3 386.460 0.115 20 0 GCADHN CC1CC[NH+](CC(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576196904 950369212 /nfs/dbraw/zinc/36/92/12/950369212.db2.gz IRWWMSVLRQJFSR-CQSZACIVSA-N 0 3 385.476 0.792 20 0 GCADHN CC(C)[C@@H](C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH+]1CCCC1 ZINC001574990957 950388613 /nfs/dbraw/zinc/38/86/13/950388613.db2.gz GSJPRHFWBFTOCG-DOMZBBRYSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[C@@H](C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCC1 ZINC001574990957 950388629 /nfs/dbraw/zinc/38/86/29/950388629.db2.gz GSJPRHFWBFTOCG-DOMZBBRYSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197412 950390583 /nfs/dbraw/zinc/39/05/83/950390583.db2.gz NHWXSSDZTROFLI-KGLIPLIRSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197412 950390599 /nfs/dbraw/zinc/39/05/99/950390599.db2.gz NHWXSSDZTROFLI-KGLIPLIRSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575909505 950394197 /nfs/dbraw/zinc/39/41/97/950394197.db2.gz GVNGYQFKWJZCCZ-RISCZKNCSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575909505 950394221 /nfs/dbraw/zinc/39/42/21/950394221.db2.gz GVNGYQFKWJZCCZ-RISCZKNCSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575909503 950395382 /nfs/dbraw/zinc/39/53/82/950395382.db2.gz GVNGYQFKWJZCCZ-BXUZGUMPSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575909503 950395407 /nfs/dbraw/zinc/39/54/07/950395407.db2.gz GVNGYQFKWJZCCZ-BXUZGUMPSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576197913 950395402 /nfs/dbraw/zinc/39/54/02/950395402.db2.gz PLVZAOCJWMMQET-UGSOOPFHSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576197913 950395425 /nfs/dbraw/zinc/39/54/25/950395425.db2.gz PLVZAOCJWMMQET-UGSOOPFHSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575909506 950395614 /nfs/dbraw/zinc/39/56/14/950395614.db2.gz GVNGYQFKWJZCCZ-SMDDNHRTSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575909506 950395629 /nfs/dbraw/zinc/39/56/29/950395629.db2.gz GVNGYQFKWJZCCZ-SMDDNHRTSA-N 0 3 380.412 0.755 20 0 GCADHN CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576197938 950399480 /nfs/dbraw/zinc/39/94/80/950399480.db2.gz PSVPMEWCPVUHKO-CQSZACIVSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576197476 950399853 /nfs/dbraw/zinc/39/98/53/950399853.db2.gz OSPMSNGOOCMRKM-CYBMUJFWSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576197476 950399879 /nfs/dbraw/zinc/39/98/79/950399879.db2.gz OSPMSNGOOCMRKM-CYBMUJFWSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576198085 950402537 /nfs/dbraw/zinc/40/25/37/950402537.db2.gz RXFOBIRKCRMICL-CYBMUJFWSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576198085 950402556 /nfs/dbraw/zinc/40/25/56/950402556.db2.gz RXFOBIRKCRMICL-CYBMUJFWSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503363 950405279 /nfs/dbraw/zinc/40/52/79/950405279.db2.gz UTIXYDWQPCMVIR-CHWSQXEVSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503363 950405293 /nfs/dbraw/zinc/40/52/93/950405293.db2.gz UTIXYDWQPCMVIR-CHWSQXEVSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503363 950405315 /nfs/dbraw/zinc/40/53/15/950405315.db2.gz UTIXYDWQPCMVIR-CHWSQXEVSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503363 950405331 /nfs/dbraw/zinc/40/53/31/950405331.db2.gz UTIXYDWQPCMVIR-CHWSQXEVSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909640 950405700 /nfs/dbraw/zinc/40/57/00/950405700.db2.gz ZXYJCQJGBNGUFU-IUODEOHRSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576198379 950407905 /nfs/dbraw/zinc/40/79/05/950407905.db2.gz SGBCTMNQBNCTIM-OCCSQVGLSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576198379 950407927 /nfs/dbraw/zinc/40/79/27/950407927.db2.gz SGBCTMNQBNCTIM-OCCSQVGLSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cncn1 ZINC001575909921 950410251 /nfs/dbraw/zinc/41/02/51/950410251.db2.gz JDWKACWFAYASLW-BBRMVZONSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cncn1 ZINC001575909921 950410267 /nfs/dbraw/zinc/41/02/67/950410267.db2.gz JDWKACWFAYASLW-BBRMVZONSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575910119 950414216 /nfs/dbraw/zinc/41/42/16/950414216.db2.gz JZUHJJLERMEKPR-BXUZGUMPSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575910119 950414228 /nfs/dbraw/zinc/41/42/28/950414228.db2.gz JZUHJJLERMEKPR-BXUZGUMPSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CCNC(=O)NC(C)(C)C ZINC001574747832 950416119 /nfs/dbraw/zinc/41/61/19/950416119.db2.gz YPDWSKIFXSNVOH-LLVKDONJSA-N 0 3 391.480 0.343 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CCNC(=O)NC(C)(C)C ZINC001574747832 950416131 /nfs/dbraw/zinc/41/61/31/950416131.db2.gz YPDWSKIFXSNVOH-LLVKDONJSA-N 0 3 391.480 0.343 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198914 950417345 /nfs/dbraw/zinc/41/73/45/950417345.db2.gz WQCCYTVUOVASSJ-KGLIPLIRSA-N 0 3 385.476 0.283 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198914 950417361 /nfs/dbraw/zinc/41/73/61/950417361.db2.gz WQCCYTVUOVASSJ-KGLIPLIRSA-N 0 3 385.476 0.283 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199448 950425049 /nfs/dbraw/zinc/42/50/49/950425049.db2.gz YWGYTMOGXUDKNX-UONOGXRCSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199448 950425057 /nfs/dbraw/zinc/42/50/57/950425057.db2.gz YWGYTMOGXUDKNX-UONOGXRCSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574506134 950429604 /nfs/dbraw/zinc/42/96/04/950429604.db2.gz BPCWDLOXGQJICU-YRGRVCCFSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574506134 950429622 /nfs/dbraw/zinc/42/96/22/950429622.db2.gz BPCWDLOXGQJICU-YRGRVCCFSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001574992387 950447315 /nfs/dbraw/zinc/44/73/15/950447315.db2.gz BFDFNAZJUCBBGJ-ABAIWWIYSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001574992387 950447327 /nfs/dbraw/zinc/44/73/27/950447327.db2.gz BFDFNAZJUCBBGJ-ABAIWWIYSA-N 0 3 387.419 0.645 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C12CCC[NH+]1CCC2 ZINC001574750906 950448681 /nfs/dbraw/zinc/44/86/81/950448681.db2.gz IZXRMDCEPQGFTA-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576204346 950462997 /nfs/dbraw/zinc/46/29/97/950462997.db2.gz OGBJPYWYHGNDDC-KZULUSFZSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576204346 950463005 /nfs/dbraw/zinc/46/30/05/950463005.db2.gz OGBJPYWYHGNDDC-KZULUSFZSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1ccnn1 ZINC001575912222 950464736 /nfs/dbraw/zinc/46/47/36/950464736.db2.gz QQVXYDDFNQIIPI-CZUORRHYSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnn1 ZINC001575912222 950464750 /nfs/dbraw/zinc/46/47/50/950464750.db2.gz QQVXYDDFNQIIPI-CZUORRHYSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1CC[NH+](C)CC1 ZINC001574751995 950467587 /nfs/dbraw/zinc/46/75/87/950467587.db2.gz SNPKWHSUXYOBTK-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCC[NH+]1CCCC1 ZINC001574751937 950470073 /nfs/dbraw/zinc/47/00/73/950470073.db2.gz RTDGFTGMFKXRAB-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCC[NH+]1CCCC1 ZINC001574751937 950470080 /nfs/dbraw/zinc/47/00/80/950470080.db2.gz RTDGFTGMFKXRAB-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001574993906 950471258 /nfs/dbraw/zinc/47/12/58/950471258.db2.gz NHLGVIMBHXHWHF-WCQYABFASA-N 0 3 383.412 0.743 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001574993906 950471265 /nfs/dbraw/zinc/47/12/65/950471265.db2.gz NHLGVIMBHXHWHF-WCQYABFASA-N 0 3 383.412 0.743 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575912960 950472208 /nfs/dbraw/zinc/47/22/08/950472208.db2.gz RZNVNUCFZYFSIZ-IAQYHMDHSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575912960 950472224 /nfs/dbraw/zinc/47/22/24/950472224.db2.gz RZNVNUCFZYFSIZ-IAQYHMDHSA-N 0 3 380.412 0.755 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574752132 950472325 /nfs/dbraw/zinc/47/23/25/950472325.db2.gz UDJHOXDQCLPKNV-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574752132 950472342 /nfs/dbraw/zinc/47/23/42/950472342.db2.gz UDJHOXDQCLPKNV-DOMZBBRYSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204735 950473632 /nfs/dbraw/zinc/47/36/32/950473632.db2.gz BHFHUZBTDCVVCL-UONOGXRCSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204735 950473643 /nfs/dbraw/zinc/47/36/43/950473643.db2.gz BHFHUZBTDCVVCL-UONOGXRCSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC001574994308 950476450 /nfs/dbraw/zinc/47/64/50/950476450.db2.gz QEAUVVMVDFITHP-RFAUZJTJSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC001574994308 950476467 /nfs/dbraw/zinc/47/64/67/950476467.db2.gz QEAUVVMVDFITHP-RFAUZJTJSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576204951 950486646 /nfs/dbraw/zinc/48/66/46/950486646.db2.gz SRADCVPMWYDUJZ-UONOGXRCSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576204951 950486663 /nfs/dbraw/zinc/48/66/63/950486663.db2.gz SRADCVPMWYDUJZ-UONOGXRCSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCS(C)(=O)=O ZINC001575913877 950488275 /nfs/dbraw/zinc/48/82/75/950488275.db2.gz UNBAPZXYPHOLQF-WFASDCNBSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575913877 950488289 /nfs/dbraw/zinc/48/82/89/950488289.db2.gz UNBAPZXYPHOLQF-WFASDCNBSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576205185 950500380 /nfs/dbraw/zinc/50/03/80/950500380.db2.gz GWPAHAPKIMLGHX-UONOGXRCSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576205185 950500396 /nfs/dbraw/zinc/50/03/96/950500396.db2.gz GWPAHAPKIMLGHX-UONOGXRCSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)C[C@H](C)NC(N)=O ZINC001574509261 950502697 /nfs/dbraw/zinc/50/26/97/950502697.db2.gz UVDYKQUPIXLDOC-UWVGGRQHSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)C[C@H](C)NC(N)=O ZINC001574509261 950502709 /nfs/dbraw/zinc/50/27/09/950502709.db2.gz UVDYKQUPIXLDOC-UWVGGRQHSA-N 0 3 378.412 0.047 20 0 GCADHN CC(C)(C)OCC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573866941 950519992 /nfs/dbraw/zinc/51/99/92/950519992.db2.gz ODAIHPIKOVJDSB-MRXNPFEDSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574509672 950524882 /nfs/dbraw/zinc/52/48/82/950524882.db2.gz VGQUGOKRNOXFLU-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(N)=O ZINC001574509672 950524906 /nfs/dbraw/zinc/52/49/06/950524906.db2.gz VGQUGOKRNOXFLU-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCC(=O)NC1 ZINC001575609585 950530572 /nfs/dbraw/zinc/53/05/72/950530572.db2.gz ZHCNHSMIYGWAHW-DOXZYTNZSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CCC(=O)NC1 ZINC001575609585 950530592 /nfs/dbraw/zinc/53/05/92/950530592.db2.gz ZHCNHSMIYGWAHW-DOXZYTNZSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H](CN(C)C(=O)c1cccc(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574753728 950542410 /nfs/dbraw/zinc/54/24/10/950542410.db2.gz RAPOJUVPWCLWMP-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576206656 950575585 /nfs/dbraw/zinc/57/55/85/950575585.db2.gz YPQMBFLWYUZSPD-KGLIPLIRSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576206656 950575598 /nfs/dbraw/zinc/57/55/98/950575598.db2.gz YPQMBFLWYUZSPD-KGLIPLIRSA-N 0 3 385.476 0.331 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@](COC)(C(=O)[O-])C3)CC2)CC1 ZINC001589741266 950594083 /nfs/dbraw/zinc/59/40/83/950594083.db2.gz IUMIIZISEARGPA-FQEVSTJZSA-N 0 3 397.516 0.511 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001574756322 950603320 /nfs/dbraw/zinc/60/33/20/950603320.db2.gz ZAHZZIMOJWSHSA-HIFRSBDPSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001574756322 950603332 /nfs/dbraw/zinc/60/33/32/950603332.db2.gz ZAHZZIMOJWSHSA-HIFRSBDPSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)C1 ZINC001576208449 950609670 /nfs/dbraw/zinc/60/96/70/950609670.db2.gz QBOCAOKFPCTBOC-MGPQQGTHSA-N 0 3 385.476 0.187 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)C1 ZINC001576208449 950609691 /nfs/dbraw/zinc/60/96/91/950609691.db2.gz QBOCAOKFPCTBOC-MGPQQGTHSA-N 0 3 385.476 0.187 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574513682 950616133 /nfs/dbraw/zinc/61/61/33/950616133.db2.gz UVDYKQUPIXLDOC-NXEZZACHSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574513682 950616145 /nfs/dbraw/zinc/61/61/45/950616145.db2.gz UVDYKQUPIXLDOC-NXEZZACHSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574759059 950627895 /nfs/dbraw/zinc/62/78/95/950627895.db2.gz KENARRSFFUCSRF-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574759059 950627911 /nfs/dbraw/zinc/62/79/11/950627911.db2.gz KENARRSFFUCSRF-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)n1ccnc1 ZINC001574518747 950658787 /nfs/dbraw/zinc/65/87/87/950658787.db2.gz QUFZAYXRVPSZDB-CVGURMSBSA-N 0 3 379.428 0.660 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574519508 950680830 /nfs/dbraw/zinc/68/08/30/950680830.db2.gz DYULAYZPXNIWJZ-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574519508 950680844 /nfs/dbraw/zinc/68/08/44/950680844.db2.gz DYULAYZPXNIWJZ-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575005597 950693572 /nfs/dbraw/zinc/69/35/72/950693572.db2.gz INPPEFKAUGDRRO-SNVBAGLBSA-N 0 3 386.391 0.503 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574762585 950709188 /nfs/dbraw/zinc/70/91/88/950709188.db2.gz ZCXCBWSZDZSIRD-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574762585 950709201 /nfs/dbraw/zinc/70/92/01/950709201.db2.gz ZCXCBWSZDZSIRD-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001575006859 950723865 /nfs/dbraw/zinc/72/38/65/950723865.db2.gz XFFOVQOHVGZWTO-GFCCVEGCSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cnc2n[nH]nc2c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574764494 950751591 /nfs/dbraw/zinc/75/15/91/950751591.db2.gz UJAKAQNKDALRQI-NSHDSACASA-N 0 3 392.427 0.783 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cnc2n[nH]nc2c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574764494 950751613 /nfs/dbraw/zinc/75/16/13/950751613.db2.gz UJAKAQNKDALRQI-NSHDSACASA-N 0 3 392.427 0.783 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CN1CCCC1=O ZINC001574520880 950755726 /nfs/dbraw/zinc/75/57/26/950755726.db2.gz ASWCONNAPUAVKI-KBPBESRZSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CN1CCCC1=O ZINC001574520880 950755741 /nfs/dbraw/zinc/75/57/41/950755741.db2.gz ASWCONNAPUAVKI-KBPBESRZSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CCNC(N)=O ZINC001574521088 950765230 /nfs/dbraw/zinc/76/52/30/950765230.db2.gz CZULEJIRVXNTAI-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)CCNC(N)=O ZINC001574521088 950765240 /nfs/dbraw/zinc/76/52/40/950765240.db2.gz CZULEJIRVXNTAI-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)Cn1ncnn1 ZINC001574521098 950769083 /nfs/dbraw/zinc/76/90/83/950769083.db2.gz DCKSHTYLVCNOLD-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)Cn1ncnn1 ZINC001574521098 950769096 /nfs/dbraw/zinc/76/90/96/950769096.db2.gz DCKSHTYLVCNOLD-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574521212 950770383 /nfs/dbraw/zinc/77/03/83/950770383.db2.gz DDXAKEDYKGXFAR-OLZOCXBDSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574521212 950770401 /nfs/dbraw/zinc/77/04/01/950770401.db2.gz DDXAKEDYKGXFAR-OLZOCXBDSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574521097 950772202 /nfs/dbraw/zinc/77/22/02/950772202.db2.gz DCKSHTYLVCNOLD-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574521097 950772215 /nfs/dbraw/zinc/77/22/15/950772215.db2.gz DCKSHTYLVCNOLD-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574523435 950812035 /nfs/dbraw/zinc/81/20/35/950812035.db2.gz NOQATIKHHUAXBX-NWDGAFQWSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001576220106 950824173 /nfs/dbraw/zinc/82/41/73/950824173.db2.gz QJZCYJDBLAVYPI-ZYHUDNBSSA-N 0 3 375.408 0.065 20 0 GCADHN C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001576220106 950824195 /nfs/dbraw/zinc/82/41/95/950824195.db2.gz QJZCYJDBLAVYPI-ZYHUDNBSSA-N 0 3 375.408 0.065 20 0 GCADHN CC1(C)CC(C[NH+]2CCN(CCNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001575639027 950854923 /nfs/dbraw/zinc/85/49/23/950854923.db2.gz NARRYSXKZXSFLN-UHFFFAOYSA-N 0 3 386.504 0.978 20 0 GCADHN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576221564 950858086 /nfs/dbraw/zinc/85/80/86/950858086.db2.gz VNWABQJFADYZDN-OCCSQVGLSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767878 950870995 /nfs/dbraw/zinc/87/09/95/950870995.db2.gz QWVLCKUJEKONBN-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767878 950871013 /nfs/dbraw/zinc/87/10/13/950871013.db2.gz QWVLCKUJEKONBN-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767878 950871020 /nfs/dbraw/zinc/87/10/20/950871020.db2.gz QWVLCKUJEKONBN-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@H](O)CC(F)(F)F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767878 950871046 /nfs/dbraw/zinc/87/10/46/950871046.db2.gz QWVLCKUJEKONBN-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cc1nc[nH]n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574524719 950873573 /nfs/dbraw/zinc/87/35/73/950873573.db2.gz YVDVXEQHGJKHOU-ZJUUUORDSA-N 0 3 375.462 0.662 20 0 GCADHN C[C@H](CN(C)C(=O)c1nccnc1N)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574768534 950889508 /nfs/dbraw/zinc/88/95/08/950889508.db2.gz YOPHGPXEJDHVIN-SNVBAGLBSA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cn(C)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574527589 950895498 /nfs/dbraw/zinc/89/54/98/950895498.db2.gz DSMVZFSHKHETSC-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cn(C)nn1)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001574527589 950895512 /nfs/dbraw/zinc/89/55/12/950895512.db2.gz DSMVZFSHKHETSC-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)c1cnnn1C ZINC001574528003 950920881 /nfs/dbraw/zinc/92/08/81/950920881.db2.gz JRRFGCLXZHVENI-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)c1cnnn1C ZINC001574528003 950920892 /nfs/dbraw/zinc/92/08/92/950920892.db2.gz JRRFGCLXZHVENI-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)c1N ZINC001574528948 950940899 /nfs/dbraw/zinc/94/08/99/950940899.db2.gz OSGGTUCWWCUEEF-RYUDHWBXSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)c1N ZINC001574528948 950940917 /nfs/dbraw/zinc/94/09/17/950940917.db2.gz OSGGTUCWWCUEEF-RYUDHWBXSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)c1cnn(C)n1 ZINC001574529987 950965848 /nfs/dbraw/zinc/96/58/48/950965848.db2.gz SBEJYZJGPJOBAN-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)n1 ZINC001574530025 950970012 /nfs/dbraw/zinc/97/00/12/950970012.db2.gz SKXWTAKOLWTDDZ-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)n1 ZINC001574530025 950970026 /nfs/dbraw/zinc/97/00/26/950970026.db2.gz SKXWTAKOLWTDDZ-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575019241 951034944 /nfs/dbraw/zinc/03/49/44/951034944.db2.gz SBVMGWRHRGMHFN-GFCCVEGCSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575019241 951034958 /nfs/dbraw/zinc/03/49/58/951034958.db2.gz SBVMGWRHRGMHFN-GFCCVEGCSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575020078 951049487 /nfs/dbraw/zinc/04/94/87/951049487.db2.gz XKRQFDBWDJEPKU-SNVBAGLBSA-N 0 3 386.391 0.008 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575020078 951049500 /nfs/dbraw/zinc/04/95/00/951049500.db2.gz XKRQFDBWDJEPKU-SNVBAGLBSA-N 0 3 386.391 0.008 20 0 GCADHN C[C@H](CNC(=O)c1cccc(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575029040 951181320 /nfs/dbraw/zinc/18/13/20/951181320.db2.gz YSBHMDFXARGKPS-GFCCVEGCSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@H](CNC(=O)c1cccc(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575029040 951181326 /nfs/dbraw/zinc/18/13/26/951181326.db2.gz YSBHMDFXARGKPS-GFCCVEGCSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@@H](CNC(=O)c1cccnc1C(N)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575031886 951208326 /nfs/dbraw/zinc/20/83/26/951208326.db2.gz LGFJCYBEVKBOBL-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1cccnc1C(N)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575031886 951208336 /nfs/dbraw/zinc/20/83/36/951208336.db2.gz LGFJCYBEVKBOBL-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575042618 951366883 /nfs/dbraw/zinc/36/68/83/951366883.db2.gz LGCTUJFQIXQREV-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575055066 951500105 /nfs/dbraw/zinc/50/01/05/951500105.db2.gz NAHVPWOEHFNALD-GFCCVEGCSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ncccc1-c1nnn[n-]1 ZINC001575055656 951511886 /nfs/dbraw/zinc/51/18/86/951511886.db2.gz ZDYMVAZGQCMDFB-GFCCVEGCSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ncccc1-c1nn[n-]n1 ZINC001575055656 951511895 /nfs/dbraw/zinc/51/18/95/951511895.db2.gz ZDYMVAZGQCMDFB-GFCCVEGCSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575058850 951534509 /nfs/dbraw/zinc/53/45/09/951534509.db2.gz VYFYOEBQMHMRHS-VIFPVBQESA-N 0 3 387.375 0.606 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575058850 951534515 /nfs/dbraw/zinc/53/45/15/951534515.db2.gz VYFYOEBQMHMRHS-VIFPVBQESA-N 0 3 387.375 0.606 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCCCCC1 ZINC001575069401 951643292 /nfs/dbraw/zinc/64/32/92/951643292.db2.gz IJKFBDNKYZOTJB-ZDUSSCGKSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCCCCC1 ZINC001575069401 951643295 /nfs/dbraw/zinc/64/32/95/951643295.db2.gz IJKFBDNKYZOTJB-ZDUSSCGKSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCCCCC1 ZINC001575069398 951643684 /nfs/dbraw/zinc/64/36/84/951643684.db2.gz IJKFBDNKYZOTJB-CYBMUJFWSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCCCCC1 ZINC001575069398 951643688 /nfs/dbraw/zinc/64/36/88/951643688.db2.gz IJKFBDNKYZOTJB-CYBMUJFWSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@H](C[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575070605 951651855 /nfs/dbraw/zinc/65/18/55/951651855.db2.gz SJTJBKWZWXGKAD-RISCZKNCSA-N 0 3 386.460 0.398 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001575070715 951653667 /nfs/dbraw/zinc/65/36/67/951653667.db2.gz UKUZOAPUCVNYBV-QWHCGFSZSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCCCCC1 ZINC001575070660 951653928 /nfs/dbraw/zinc/65/39/28/951653928.db2.gz TVHAWYOJKYBUSA-ZDUSSCGKSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@@H](C[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575070915 951655383 /nfs/dbraw/zinc/65/53/83/951655383.db2.gz VRPXCRUSFVWYQO-SMDDNHRTSA-N 0 3 386.460 0.398 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001575071276 951656697 /nfs/dbraw/zinc/65/66/97/951656697.db2.gz ZFJDXYVNIYZRKE-STQMWFEESA-N 0 3 388.476 0.409 20 0 GCADHN CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575071030 951657034 /nfs/dbraw/zinc/65/70/34/951657034.db2.gz XFIOHLAEYHCBDI-VXGBXAGGSA-N 0 3 376.465 0.311 20 0 GCADHN C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575077036 951660598 /nfs/dbraw/zinc/66/05/98/951660598.db2.gz AYXSWYFHTOUHMF-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575077036 951660606 /nfs/dbraw/zinc/66/06/06/951660606.db2.gz AYXSWYFHTOUHMF-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077159 951662479 /nfs/dbraw/zinc/66/24/79/951662479.db2.gz DPONRUQAPNHBMW-NSHDSACASA-N 0 3 376.392 0.736 20 0 GCADHN C[C@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077159 951662483 /nfs/dbraw/zinc/66/24/83/951662483.db2.gz DPONRUQAPNHBMW-NSHDSACASA-N 0 3 376.392 0.736 20 0 GCADHN C[C@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077207 951663947 /nfs/dbraw/zinc/66/39/47/951663947.db2.gz ANCQNVBJSBDDAZ-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077207 951663953 /nfs/dbraw/zinc/66/39/53/951663953.db2.gz ANCQNVBJSBDDAZ-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575077268 951665853 /nfs/dbraw/zinc/66/58/53/951665853.db2.gz BQCMRMBNDWFRSL-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077572 951670518 /nfs/dbraw/zinc/67/05/18/951670518.db2.gz GWVFDKDHCWMQED-JTQLQIEISA-N 0 3 388.407 0.601 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077572 951670527 /nfs/dbraw/zinc/67/05/27/951670527.db2.gz GWVFDKDHCWMQED-JTQLQIEISA-N 0 3 388.407 0.601 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575078182 951679793 /nfs/dbraw/zinc/67/97/93/951679793.db2.gz JPTWSPIAOZCUMK-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078452 951680703 /nfs/dbraw/zinc/68/07/03/951680703.db2.gz LSCUSYXXZKHBCT-RISCZKNCSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078452 951680707 /nfs/dbraw/zinc/68/07/07/951680707.db2.gz LSCUSYXXZKHBCT-RISCZKNCSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078587 951682486 /nfs/dbraw/zinc/68/24/86/951682486.db2.gz KWZDWKPCTFRTEH-LBPRGKRZSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078587 951682493 /nfs/dbraw/zinc/68/24/93/951682493.db2.gz KWZDWKPCTFRTEH-LBPRGKRZSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575078877 951686366 /nfs/dbraw/zinc/68/63/66/951686366.db2.gz AVDDDDREVXKJRB-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575078877 951686371 /nfs/dbraw/zinc/68/63/71/951686371.db2.gz AVDDDDREVXKJRB-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1COCCO1 ZINC001575079440 951692281 /nfs/dbraw/zinc/69/22/81/951692281.db2.gz FBWZFUNFFVSUAC-IAQYHMDHSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1COCCO1 ZINC001575079440 951692285 /nfs/dbraw/zinc/69/22/85/951692285.db2.gz FBWZFUNFFVSUAC-IAQYHMDHSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079566 951694539 /nfs/dbraw/zinc/69/45/39/951694539.db2.gz RJJACCHEIPFGNP-QWRGUYRKSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079566 951694545 /nfs/dbraw/zinc/69/45/45/951694545.db2.gz RJJACCHEIPFGNP-QWRGUYRKSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575079778 951697278 /nfs/dbraw/zinc/69/72/78/951697278.db2.gz OSYZGVISRSINQO-DZGCQCFKSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575079778 951697281 /nfs/dbraw/zinc/69/72/81/951697281.db2.gz OSYZGVISRSINQO-DZGCQCFKSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079882 951699565 /nfs/dbraw/zinc/69/95/65/951699565.db2.gz SFLMNVXLQVHGGO-DOMZBBRYSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079882 951699566 /nfs/dbraw/zinc/69/95/66/951699566.db2.gz SFLMNVXLQVHGGO-DOMZBBRYSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079883 951699571 /nfs/dbraw/zinc/69/95/71/951699571.db2.gz SFLMNVXLQVHGGO-IUODEOHRSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079883 951699573 /nfs/dbraw/zinc/69/95/73/951699573.db2.gz SFLMNVXLQVHGGO-IUODEOHRSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079993 951700399 /nfs/dbraw/zinc/70/03/99/951700399.db2.gz IKXLFHOVQSGHBK-PIGZYNQJSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079993 951700412 /nfs/dbraw/zinc/70/04/12/951700412.db2.gz IKXLFHOVQSGHBK-PIGZYNQJSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)c1cnc[nH]c1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079989 951700786 /nfs/dbraw/zinc/70/07/86/951700786.db2.gz IKKNCDYVKQKTCO-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079991 951701436 /nfs/dbraw/zinc/70/14/36/951701436.db2.gz IKXLFHOVQSGHBK-DIFFPNOSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079991 951701439 /nfs/dbraw/zinc/70/14/39/951701439.db2.gz IKXLFHOVQSGHBK-DIFFPNOSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)Cc1cnn(C)c1 ZINC001575080117 951704073 /nfs/dbraw/zinc/70/40/73/951704073.db2.gz VHMXHDYVHXQSHR-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575080273 951707751 /nfs/dbraw/zinc/70/77/51/951707751.db2.gz QSOLXPQOCVPIFW-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575080273 951707754 /nfs/dbraw/zinc/70/77/54/951707754.db2.gz QSOLXPQOCVPIFW-WCBMZHEXSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575080482 951710917 /nfs/dbraw/zinc/71/09/17/951710917.db2.gz WXGGPSIGLGWREV-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCCC(N)=O ZINC001575080878 951717447 /nfs/dbraw/zinc/71/74/47/951717447.db2.gz ZXIHCSGEBYILIO-LLVKDONJSA-N 0 3 377.424 0.598 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081165 951719291 /nfs/dbraw/zinc/71/92/91/951719291.db2.gz PBJSTZJSEBIFGG-NSHDSACASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081165 951719300 /nfs/dbraw/zinc/71/93/00/951719300.db2.gz PBJSTZJSEBIFGG-NSHDSACASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCn1cncn1 ZINC001575081225 951722161 /nfs/dbraw/zinc/72/21/61/951722161.db2.gz QDUYHRHUGZEKRQ-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCn1cncn1 ZINC001575081225 951722168 /nfs/dbraw/zinc/72/21/68/951722168.db2.gz QDUYHRHUGZEKRQ-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575081716 951726300 /nfs/dbraw/zinc/72/63/00/951726300.db2.gz SAYUCSJQRLUKFB-JTQLQIEISA-N 0 3 387.423 0.477 20 0 GCADHN C[C@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575081716 951726304 /nfs/dbraw/zinc/72/63/04/951726304.db2.gz SAYUCSJQRLUKFB-JTQLQIEISA-N 0 3 387.423 0.477 20 0 GCADHN C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575082440 951733987 /nfs/dbraw/zinc/73/39/87/951733987.db2.gz YXEZNCDLNJQJJW-IUCAKERBSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575082440 951734000 /nfs/dbraw/zinc/73/40/00/951734000.db2.gz YXEZNCDLNJQJJW-IUCAKERBSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575082568 951734676 /nfs/dbraw/zinc/73/46/76/951734676.db2.gz XIAIHOLAXDBJDX-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575082568 951734686 /nfs/dbraw/zinc/73/46/86/951734686.db2.gz XIAIHOLAXDBJDX-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)Cn1ccccc1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088519 951740184 /nfs/dbraw/zinc/74/01/84/951740184.db2.gz ATBDCOOGNYSPDW-CQSZACIVSA-N 0 3 381.440 0.571 20 0 GCADHN C[C@@H](CNC(=O)Cn1ccccc1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088519 951740188 /nfs/dbraw/zinc/74/01/88/951740188.db2.gz ATBDCOOGNYSPDW-CQSZACIVSA-N 0 3 381.440 0.571 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575088684 951741696 /nfs/dbraw/zinc/74/16/96/951741696.db2.gz AJBCUYAQBZYQAW-SNVBAGLBSA-N 0 3 386.391 0.245 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575088684 951741702 /nfs/dbraw/zinc/74/17/02/951741702.db2.gz AJBCUYAQBZYQAW-SNVBAGLBSA-N 0 3 386.391 0.245 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CCCC(N)=O ZINC001575088919 951743825 /nfs/dbraw/zinc/74/38/25/951743825.db2.gz CUBMRTQYOTXWDZ-LLVKDONJSA-N 0 3 377.424 0.598 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088886 951744908 /nfs/dbraw/zinc/74/49/08/951744908.db2.gz CKDPEHCQZRABHE-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088886 951744915 /nfs/dbraw/zinc/74/49/15/951744915.db2.gz CKDPEHCQZRABHE-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089093 951745744 /nfs/dbraw/zinc/74/57/44/951745744.db2.gz DFYXZMJIEWUQJG-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089093 951745749 /nfs/dbraw/zinc/74/57/49/951745749.db2.gz DFYXZMJIEWUQJG-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089299 951747225 /nfs/dbraw/zinc/74/72/25/951747225.db2.gz FLNJWDAQRDEUFG-BBRMVZONSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089299 951747238 /nfs/dbraw/zinc/74/72/38/951747238.db2.gz FLNJWDAQRDEUFG-BBRMVZONSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089300 951748095 /nfs/dbraw/zinc/74/80/95/951748095.db2.gz FLNJWDAQRDEUFG-CJNGLKHVSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089300 951748097 /nfs/dbraw/zinc/74/80/97/951748097.db2.gz FLNJWDAQRDEUFG-CJNGLKHVSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575089366 951749884 /nfs/dbraw/zinc/74/98/84/951749884.db2.gz GVQVTJOMYYDGPF-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089563 951750672 /nfs/dbraw/zinc/75/06/72/951750672.db2.gz GOOWEWCYGUFYSB-NWDGAFQWSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089563 951750682 /nfs/dbraw/zinc/75/06/82/951750682.db2.gz GOOWEWCYGUFYSB-NWDGAFQWSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575089714 951754107 /nfs/dbraw/zinc/75/41/07/951754107.db2.gz HXSCPQGQIIQDDE-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089797 951755289 /nfs/dbraw/zinc/75/52/89/951755289.db2.gz IPKNZNICAHGEBZ-SWLSCSKDSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089797 951755296 /nfs/dbraw/zinc/75/52/96/951755296.db2.gz IPKNZNICAHGEBZ-SWLSCSKDSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090517 951760536 /nfs/dbraw/zinc/76/05/36/951760536.db2.gz LKZCMHBOUWMURS-ZDUSSCGKSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090517 951760543 /nfs/dbraw/zinc/76/05/43/951760543.db2.gz LKZCMHBOUWMURS-ZDUSSCGKSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090633 951761453 /nfs/dbraw/zinc/76/14/53/951761453.db2.gz KWMCFYDEOGUBGN-IUODEOHRSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090633 951761457 /nfs/dbraw/zinc/76/14/57/951761457.db2.gz KWMCFYDEOGUBGN-IUODEOHRSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090631 951762147 /nfs/dbraw/zinc/76/21/47/951762147.db2.gz KWMCFYDEOGUBGN-DOMZBBRYSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090631 951762154 /nfs/dbraw/zinc/76/21/54/951762154.db2.gz KWMCFYDEOGUBGN-DOMZBBRYSA-N 0 3 392.485 0.143 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091010 951766798 /nfs/dbraw/zinc/76/67/98/951766798.db2.gz OTXTVSWGDOEAPA-SMDDNHRTSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091010 951766802 /nfs/dbraw/zinc/76/68/02/951766802.db2.gz OTXTVSWGDOEAPA-SMDDNHRTSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1nccnc1N ZINC001575091257 951771772 /nfs/dbraw/zinc/77/17/72/951771772.db2.gz PHBFNCMUVRIMNC-JTQLQIEISA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091419 951775276 /nfs/dbraw/zinc/77/52/76/951775276.db2.gz SOVOGOZYMIPTHS-WFASDCNBSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091419 951775278 /nfs/dbraw/zinc/77/52/78/951775278.db2.gz SOVOGOZYMIPTHS-WFASDCNBSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001575092199 951791291 /nfs/dbraw/zinc/79/12/91/951791291.db2.gz YZPLKAKRLBXFST-LRDDRELGSA-N 0 3 391.451 0.273 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575093391 951798817 /nfs/dbraw/zinc/79/88/17/951798817.db2.gz ILJBIBBRKAWHJH-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575093391 951798824 /nfs/dbraw/zinc/79/88/24/951798824.db2.gz ILJBIBBRKAWHJH-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575093816 951800695 /nfs/dbraw/zinc/80/06/95/951800695.db2.gz KWJORRBSNSGVQO-GFCCVEGCSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575093816 951800698 /nfs/dbraw/zinc/80/06/98/951800698.db2.gz KWJORRBSNSGVQO-GFCCVEGCSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575093792 951800917 /nfs/dbraw/zinc/80/09/17/951800917.db2.gz KOMFTXSQHCRUJK-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575093792 951800921 /nfs/dbraw/zinc/80/09/21/951800921.db2.gz KOMFTXSQHCRUJK-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575093448 951801026 /nfs/dbraw/zinc/80/10/26/951801026.db2.gz JWDUSSRMMCBMQJ-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575093448 951801029 /nfs/dbraw/zinc/80/10/29/951801029.db2.gz JWDUSSRMMCBMQJ-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575094253 951802076 /nfs/dbraw/zinc/80/20/76/951802076.db2.gz MHFGCRBRSCBSQN-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575094253 951802083 /nfs/dbraw/zinc/80/20/83/951802083.db2.gz MHFGCRBRSCBSQN-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CN1CCCCC1=O ZINC001575094289 951804247 /nfs/dbraw/zinc/80/42/47/951804247.db2.gz MORSJCULJFKJES-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CN1CCCCC1=O ZINC001575094289 951804254 /nfs/dbraw/zinc/80/42/54/951804254.db2.gz MORSJCULJFKJES-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)Cn1ccccc1=O ZINC001575094301 951805011 /nfs/dbraw/zinc/80/50/11/951805011.db2.gz MQMSJEFUQHOMFT-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)Cn1ccccc1=O ZINC001575094301 951805019 /nfs/dbraw/zinc/80/50/19/951805019.db2.gz MQMSJEFUQHOMFT-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575094854 951806874 /nfs/dbraw/zinc/80/68/74/951806874.db2.gz QFPGGOGZNGZRIV-LBPRGKRZSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575094854 951806888 /nfs/dbraw/zinc/80/68/88/951806888.db2.gz QFPGGOGZNGZRIV-LBPRGKRZSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575095111 951810046 /nfs/dbraw/zinc/81/00/46/951810046.db2.gz RTZLYXXPGLCPDA-LBPRGKRZSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575095111 951810054 /nfs/dbraw/zinc/81/00/54/951810054.db2.gz RTZLYXXPGLCPDA-LBPRGKRZSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101242 951855772 /nfs/dbraw/zinc/85/57/72/951855772.db2.gz BDEBZCMEUQAKLH-YPMHNXCESA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101242 951855775 /nfs/dbraw/zinc/85/57/75/951855775.db2.gz BDEBZCMEUQAKLH-YPMHNXCESA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101681 951861746 /nfs/dbraw/zinc/86/17/46/951861746.db2.gz IJTFRGIQJLYDJD-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101681 951861752 /nfs/dbraw/zinc/86/17/52/951861752.db2.gz IJTFRGIQJLYDJD-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103621 951876767 /nfs/dbraw/zinc/87/67/67/951876767.db2.gz UOYFFWLLPGTGLG-WDEREUQCSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103621 951876774 /nfs/dbraw/zinc/87/67/74/951876774.db2.gz UOYFFWLLPGTGLG-WDEREUQCSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104013 951878809 /nfs/dbraw/zinc/87/88/09/951878809.db2.gz AWMITEJCEJMVRA-BBRMVZONSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104013 951878819 /nfs/dbraw/zinc/87/88/19/951878819.db2.gz AWMITEJCEJMVRA-BBRMVZONSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104904 951890035 /nfs/dbraw/zinc/89/00/35/951890035.db2.gz GQRUJNNRUOMLKT-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104904 951890041 /nfs/dbraw/zinc/89/00/41/951890041.db2.gz GQRUJNNRUOMLKT-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001575105423 951893956 /nfs/dbraw/zinc/89/39/56/951893956.db2.gz JFCFXUICAQVAEX-DNVCBOLYSA-N 0 3 383.456 0.377 20 0 GCADHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001575105423 951893961 /nfs/dbraw/zinc/89/39/61/951893961.db2.gz JFCFXUICAQVAEX-DNVCBOLYSA-N 0 3 383.456 0.377 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575105788 951898588 /nfs/dbraw/zinc/89/85/88/951898588.db2.gz NCXDNFWLSHJBAX-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575105788 951898592 /nfs/dbraw/zinc/89/85/92/951898592.db2.gz NCXDNFWLSHJBAX-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106536 951904962 /nfs/dbraw/zinc/90/49/62/951904962.db2.gz RUMCUZXUCDFBEO-HIFRSBDPSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106536 951904965 /nfs/dbraw/zinc/90/49/65/951904965.db2.gz RUMCUZXUCDFBEO-HIFRSBDPSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575106598 951905543 /nfs/dbraw/zinc/90/55/43/951905543.db2.gz SUQLOILXQRWFBB-DGCLKSJQSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575106598 951905548 /nfs/dbraw/zinc/90/55/48/951905548.db2.gz SUQLOILXQRWFBB-DGCLKSJQSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575106766 951907818 /nfs/dbraw/zinc/90/78/18/951907818.db2.gz UJCVAQGJZRBRLQ-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575106766 951907822 /nfs/dbraw/zinc/90/78/22/951907822.db2.gz UJCVAQGJZRBRLQ-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575106886 951908954 /nfs/dbraw/zinc/90/89/54/951908954.db2.gz VYUPDIZMZYRNRK-NOZJJQNGSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575106886 951908960 /nfs/dbraw/zinc/90/89/60/951908960.db2.gz VYUPDIZMZYRNRK-NOZJJQNGSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107158 951915100 /nfs/dbraw/zinc/91/51/00/951915100.db2.gz AFLPWTRMTJRYND-NSHDSACASA-N 0 3 383.412 0.714 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107158 951915103 /nfs/dbraw/zinc/91/51/03/951915103.db2.gz AFLPWTRMTJRYND-NSHDSACASA-N 0 3 383.412 0.714 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cccc(=O)n1C ZINC001575107961 951922711 /nfs/dbraw/zinc/92/27/11/951922711.db2.gz JZOQSPJUBOPWIE-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cccc(=O)n1C ZINC001575107961 951922717 /nfs/dbraw/zinc/92/27/17/951922717.db2.gz JZOQSPJUBOPWIE-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCN1CCCC1=O ZINC001575108797 951927176 /nfs/dbraw/zinc/92/71/76/951927176.db2.gz NPJSRXURXVHCPT-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCN1CCCC1=O ZINC001575108797 951927184 /nfs/dbraw/zinc/92/71/84/951927184.db2.gz NPJSRXURXVHCPT-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575109577 951931832 /nfs/dbraw/zinc/93/18/32/951931832.db2.gz SQVMQEPQTXIXBR-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575109577 951931836 /nfs/dbraw/zinc/93/18/36/951931836.db2.gz SQVMQEPQTXIXBR-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575110359 951939716 /nfs/dbraw/zinc/93/97/16/951939716.db2.gz ZOAIMPUDYNANTL-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575110359 951939724 /nfs/dbraw/zinc/93/97/24/951939724.db2.gz ZOAIMPUDYNANTL-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113450 951941490 /nfs/dbraw/zinc/94/14/90/951941490.db2.gz BNMCETAIFBZZMQ-ZFWWWQNUSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113450 951941493 /nfs/dbraw/zinc/94/14/93/951941493.db2.gz BNMCETAIFBZZMQ-ZFWWWQNUSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113646 951942834 /nfs/dbraw/zinc/94/28/34/951942834.db2.gz COCHJDRYCSPHDF-WFASDCNBSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113646 951942839 /nfs/dbraw/zinc/94/28/39/951942839.db2.gz COCHJDRYCSPHDF-WFASDCNBSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113639 951943274 /nfs/dbraw/zinc/94/32/74/951943274.db2.gz COCHJDRYCSPHDF-DOMZBBRYSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113639 951943279 /nfs/dbraw/zinc/94/32/79/951943279.db2.gz COCHJDRYCSPHDF-DOMZBBRYSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113957 951949149 /nfs/dbraw/zinc/94/91/49/951949149.db2.gz JCDMVZXEYXVUEY-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113957 951949155 /nfs/dbraw/zinc/94/91/55/951949155.db2.gz JCDMVZXEYXVUEY-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575114050 951952509 /nfs/dbraw/zinc/95/25/09/951952509.db2.gz LGLVRWDCMYKZPJ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575114050 951952515 /nfs/dbraw/zinc/95/25/15/951952515.db2.gz LGLVRWDCMYKZPJ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114599 951958786 /nfs/dbraw/zinc/95/87/86/951958786.db2.gz QSWGAJHYKHRGKQ-BFUOFWGJSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114599 951958790 /nfs/dbraw/zinc/95/87/90/951958790.db2.gz QSWGAJHYKHRGKQ-BFUOFWGJSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575115142 951963424 /nfs/dbraw/zinc/96/34/24/951963424.db2.gz VAMWGRWFSFQHPL-VCBZYWHSSA-N 0 3 383.456 0.363 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575115142 951963425 /nfs/dbraw/zinc/96/34/25/951963425.db2.gz VAMWGRWFSFQHPL-VCBZYWHSSA-N 0 3 383.456 0.363 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575115144 951963500 /nfs/dbraw/zinc/96/35/00/951963500.db2.gz VAMWGRWFSFQHPL-ZRGWGRIASA-N 0 3 383.456 0.363 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575115144 951963503 /nfs/dbraw/zinc/96/35/03/951963503.db2.gz VAMWGRWFSFQHPL-ZRGWGRIASA-N 0 3 383.456 0.363 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001575115764 951965717 /nfs/dbraw/zinc/96/57/17/951965717.db2.gz YSHKTWVBOSIVPX-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001575115764 951965723 /nfs/dbraw/zinc/96/57/23/951965723.db2.gz YSHKTWVBOSIVPX-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115818 951968212 /nfs/dbraw/zinc/96/82/12/951968212.db2.gz ZGTOIFCGJUMJBX-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115818 951968217 /nfs/dbraw/zinc/96/82/17/951968217.db2.gz ZGTOIFCGJUMJBX-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575184817 952424205 /nfs/dbraw/zinc/42/42/05/952424205.db2.gz DCSWFYGKEPEHTQ-NEPJUHHUSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575184817 952424209 /nfs/dbraw/zinc/42/42/09/952424209.db2.gz DCSWFYGKEPEHTQ-NEPJUHHUSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575185145 952429555 /nfs/dbraw/zinc/42/95/55/952429555.db2.gz LVRWGMTYINNYLB-GXTWGEPZSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575185145 952429559 /nfs/dbraw/zinc/42/95/59/952429559.db2.gz LVRWGMTYINNYLB-GXTWGEPZSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575185348 952432851 /nfs/dbraw/zinc/43/28/51/952432851.db2.gz PUKKHFVFDRUNBS-DFBGVHRSSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575185348 952432854 /nfs/dbraw/zinc/43/28/54/952432854.db2.gz PUKKHFVFDRUNBS-DFBGVHRSSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575185349 952432951 /nfs/dbraw/zinc/43/29/51/952432951.db2.gz PUKKHFVFDRUNBS-KCPJHIHWSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575185349 952432956 /nfs/dbraw/zinc/43/29/56/952432956.db2.gz PUKKHFVFDRUNBS-KCPJHIHWSA-N 0 3 392.485 0.284 20 0 GCADHN O=C([C@@H]1COCCO1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571119461 952490551 /nfs/dbraw/zinc/49/05/51/952490551.db2.gz BENHLAQBKQMEGJ-WFASDCNBSA-N 0 3 376.392 0.112 20 0 GCADHN O=C([C@@H]1COCCO1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571119461 952490555 /nfs/dbraw/zinc/49/05/55/952490555.db2.gz BENHLAQBKQMEGJ-WFASDCNBSA-N 0 3 376.392 0.112 20 0 GCADHN O=C(c1ccnnc1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571123402 952530809 /nfs/dbraw/zinc/53/08/09/952530809.db2.gz RHULUYOXEFQPCB-CALCHBBNSA-N 0 3 376.424 0.861 20 0 GCADHN O=C(c1ccnnc1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571123402 952530814 /nfs/dbraw/zinc/53/08/14/952530814.db2.gz RHULUYOXEFQPCB-CALCHBBNSA-N 0 3 376.424 0.861 20 0 GCADHN O=C(c1ccnnc1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571123402 952530818 /nfs/dbraw/zinc/53/08/18/952530818.db2.gz RHULUYOXEFQPCB-CALCHBBNSA-N 0 3 376.424 0.861 20 0 GCADHN O=C(c1ccnnc1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571123402 952530821 /nfs/dbraw/zinc/53/08/21/952530821.db2.gz RHULUYOXEFQPCB-CALCHBBNSA-N 0 3 376.424 0.861 20 0 GCADHN CC(C)[C@@H](C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)[NH+](C)C ZINC001571123812 952532605 /nfs/dbraw/zinc/53/26/05/952532605.db2.gz WKEARVNJVUOIKW-OCCSQVGLSA-N 0 3 376.440 1.000 20 0 GCADHN C[C@@H](Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCOCC1)[NH+](C)C ZINC001575207241 952533575 /nfs/dbraw/zinc/53/35/75/952533575.db2.gz PJRJZWMQXFABGU-ZDUSSCGKSA-N 0 3 383.460 0.912 20 0 GCADHN C[C@@H](Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCOCC1)[NH+](C)C ZINC001575207241 952533580 /nfs/dbraw/zinc/53/35/80/952533580.db2.gz PJRJZWMQXFABGU-ZDUSSCGKSA-N 0 3 383.460 0.912 20 0 GCADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@]1(F)CCOC1 ZINC001571129907 952577903 /nfs/dbraw/zinc/57/79/03/952577903.db2.gz LGTQRECGISOOCI-PSTGCABASA-N 0 3 378.383 0.871 20 0 GCADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@@]1(F)CCOC1 ZINC001571129907 952577908 /nfs/dbraw/zinc/57/79/08/952577908.db2.gz LGTQRECGISOOCI-PSTGCABASA-N 0 3 378.383 0.871 20 0 GCADHN Cn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)cc1=O ZINC001571140242 952624445 /nfs/dbraw/zinc/62/44/45/952624445.db2.gz AVGOWGQOBHAXTB-IYBDPMFKSA-N 0 3 379.424 0.616 20 0 GCADHN Cn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cc1=O ZINC001571140242 952624452 /nfs/dbraw/zinc/62/44/52/952624452.db2.gz AVGOWGQOBHAXTB-IYBDPMFKSA-N 0 3 379.424 0.616 20 0 GCADHN Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)ccc1=O ZINC001571142561 952643220 /nfs/dbraw/zinc/64/32/20/952643220.db2.gz XDHRIEVGXHHLER-SHTZXODSSA-N 0 3 379.424 0.616 20 0 GCADHN Cn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)ccc1=O ZINC001571142561 952643221 /nfs/dbraw/zinc/64/32/21/952643221.db2.gz XDHRIEVGXHHLER-SHTZXODSSA-N 0 3 379.424 0.616 20 0 GCADHN Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(-c5nnn[n-]5)c4)C[C@@H]3C2)n1 ZINC001571147282 952659475 /nfs/dbraw/zinc/65/94/75/952659475.db2.gz WJVPZKMBKWDFOF-GASCZTMLSA-N 0 3 379.428 0.199 20 0 GCADHN Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(-c5nnn[n-]5)c4)C[C@@H]3C2)n1 ZINC001571147282 952659478 /nfs/dbraw/zinc/65/94/78/952659478.db2.gz WJVPZKMBKWDFOF-GASCZTMLSA-N 0 3 379.428 0.199 20 0 GCADHN Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(-c5nn[n-]n5)c4)C[C@@H]3C2)n1 ZINC001571147282 952659482 /nfs/dbraw/zinc/65/94/82/952659482.db2.gz WJVPZKMBKWDFOF-GASCZTMLSA-N 0 3 379.428 0.199 20 0 GCADHN Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(-c5nn[n-]n5)c4)C[C@@H]3C2)n1 ZINC001571147282 952659485 /nfs/dbraw/zinc/65/94/85/952659485.db2.gz WJVPZKMBKWDFOF-GASCZTMLSA-N 0 3 379.428 0.199 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccnn3)C2)cc1-c1nnn[n-]1 ZINC001571157927 952708745 /nfs/dbraw/zinc/70/87/45/952708745.db2.gz CZZWRDUMKSVWRH-ZDUSSCGKSA-N 0 3 380.412 0.670 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cccnn3)C2)cc1-c1nn[n-]n1 ZINC001571157927 952708748 /nfs/dbraw/zinc/70/87/48/952708748.db2.gz CZZWRDUMKSVWRH-ZDUSSCGKSA-N 0 3 380.412 0.670 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccnnc3)C2)cc1-c1nnn[n-]1 ZINC001571158220 952710413 /nfs/dbraw/zinc/71/04/13/952710413.db2.gz DZWQWBHBHDGJBL-AWEZNQCLSA-N 0 3 380.412 0.670 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccnnc3)C2)cc1-c1nn[n-]n1 ZINC001571158220 952710416 /nfs/dbraw/zinc/71/04/16/952710416.db2.gz DZWQWBHBHDGJBL-AWEZNQCLSA-N 0 3 380.412 0.670 20 0 GCADHN COc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571158667 952713805 /nfs/dbraw/zinc/71/38/05/952713805.db2.gz LYNBQUDBEZQSLU-ZDUSSCGKSA-N 0 3 380.412 0.670 20 0 GCADHN COc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571158667 952713810 /nfs/dbraw/zinc/71/38/10/952713810.db2.gz LYNBQUDBEZQSLU-ZDUSSCGKSA-N 0 3 380.412 0.670 20 0 GCADHN O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)c1c[nH]c(=O)cn1 ZINC001571160068 952722983 /nfs/dbraw/zinc/72/29/83/952722983.db2.gz CLDAJMXUNNLKBV-MQMHXKEQSA-N 0 3 380.412 0.248 20 0 GCADHN O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)c1c[nH]c(=O)cn1 ZINC001571160068 952722989 /nfs/dbraw/zinc/72/29/89/952722989.db2.gz CLDAJMXUNNLKBV-MQMHXKEQSA-N 0 3 380.412 0.248 20 0 GCADHN O=C(c1ccc(=O)[nH]n1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571160334 952725434 /nfs/dbraw/zinc/72/54/34/952725434.db2.gz HHFYKPCOJLTJOB-ZDUSSCGKSA-N 0 3 380.412 0.757 20 0 GCADHN O=C(c1ccc(=O)[nH]n1)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571160334 952725436 /nfs/dbraw/zinc/72/54/36/952725436.db2.gz HHFYKPCOJLTJOB-ZDUSSCGKSA-N 0 3 380.412 0.757 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571160546 952727384 /nfs/dbraw/zinc/72/73/84/952727384.db2.gz JDVOLPSPOPXYAE-CQSZACIVSA-N 0 3 380.412 0.344 20 0 GCADHN O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571160546 952727388 /nfs/dbraw/zinc/72/73/88/952727388.db2.gz JDVOLPSPOPXYAE-CQSZACIVSA-N 0 3 380.412 0.344 20 0 GCADHN Cc1cc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2nc[nH]n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571162025 952737885 /nfs/dbraw/zinc/73/78/85/952737885.db2.gz IBBSRHHTVKJJBA-QWHCGFSZSA-N 0 3 380.416 0.572 20 0 GCADHN Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)ccc1-c1nn[n-]n1 ZINC001571170057 952782732 /nfs/dbraw/zinc/78/27/32/952782732.db2.gz ROXUJGGMDFWACY-FOLVSLTJSA-N 0 3 380.456 0.217 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571183983 952886236 /nfs/dbraw/zinc/88/62/36/952886236.db2.gz OCELMNGUAWHJHF-IUODEOHRSA-N 0 3 381.444 0.493 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571183983 952886241 /nfs/dbraw/zinc/88/62/41/952886241.db2.gz OCELMNGUAWHJHF-IUODEOHRSA-N 0 3 381.444 0.493 20 0 GCADHN CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC001571184210 952889781 /nfs/dbraw/zinc/88/97/81/952889781.db2.gz TYCLPUSBAUPENL-SHTZXODSSA-N 0 3 381.444 0.919 20 0 GCADHN CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC001571184210 952889784 /nfs/dbraw/zinc/88/97/84/952889784.db2.gz TYCLPUSBAUPENL-SHTZXODSSA-N 0 3 381.444 0.919 20 0 GCADHN CCn1nc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001571185053 952899652 /nfs/dbraw/zinc/89/96/52/952899652.db2.gz HPFKYQMARXATHB-GASCZTMLSA-N 0 3 381.444 0.837 20 0 GCADHN CCn1nc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001571185053 952899658 /nfs/dbraw/zinc/89/96/58/952899658.db2.gz HPFKYQMARXATHB-GASCZTMLSA-N 0 3 381.444 0.837 20 0 GCADHN CCn1nncc1C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571185060 952900260 /nfs/dbraw/zinc/90/02/60/952900260.db2.gz IBSJPIRJTQOLJH-IUODEOHRSA-N 0 3 381.444 0.871 20 0 GCADHN CCn1nncc1C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571185060 952900261 /nfs/dbraw/zinc/90/02/61/952900261.db2.gz IBSJPIRJTQOLJH-IUODEOHRSA-N 0 3 381.444 0.871 20 0 GCADHN Cc1c(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C[C@H]2C)nnn1C ZINC001571185558 952902362 /nfs/dbraw/zinc/90/23/62/952902362.db2.gz NCYRVNBQNOOCBN-RISCZKNCSA-N 0 3 381.444 0.696 20 0 GCADHN Cc1c(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C[C@H]2C)nnn1C ZINC001571185558 952902363 /nfs/dbraw/zinc/90/23/63/952902363.db2.gz NCYRVNBQNOOCBN-RISCZKNCSA-N 0 3 381.444 0.696 20 0 GCADHN Cc1cc(N2CC[C@H](N(C)C(=O)Cc3cncn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187806 952910271 /nfs/dbraw/zinc/91/02/71/952910271.db2.gz CEGCJCLWMGUHAP-ZDUSSCGKSA-N 0 3 381.444 0.583 20 0 GCADHN Cc1cncn1CC(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571188206 952913696 /nfs/dbraw/zinc/91/36/96/952913696.db2.gz IDOHIEORJILFMW-UHFFFAOYSA-N 0 3 381.444 0.600 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571188706 952918419 /nfs/dbraw/zinc/91/84/19/952918419.db2.gz MSNWPABBFSEXQR-GXTWGEPZSA-N 0 3 381.444 0.982 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571188706 952918423 /nfs/dbraw/zinc/91/84/23/952918423.db2.gz MSNWPABBFSEXQR-GXTWGEPZSA-N 0 3 381.444 0.982 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571188708 952919544 /nfs/dbraw/zinc/91/95/44/952919544.db2.gz MSNWPABBFSEXQR-JSGCOSHPSA-N 0 3 381.444 0.982 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571188708 952919547 /nfs/dbraw/zinc/91/95/47/952919547.db2.gz MSNWPABBFSEXQR-JSGCOSHPSA-N 0 3 381.444 0.982 20 0 GCADHN Cc1nc[nH]c1CC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571189268 952928154 /nfs/dbraw/zinc/92/81/54/952928154.db2.gz UHADHKYYQXOPDT-ZDUSSCGKSA-N 0 3 381.444 0.669 20 0 GCADHN Cc1cncn1CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189335 952928557 /nfs/dbraw/zinc/92/85/57/952928557.db2.gz VELKMMOWNSHSMA-CQSZACIVSA-N 0 3 381.444 0.458 20 0 GCADHN Cc1cc(N(C)C2CCN(C(=O)Cn3ccnc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189492 952929224 /nfs/dbraw/zinc/92/92/24/952929224.db2.gz VYEREJJWOMBONL-UHFFFAOYSA-N 0 3 381.444 0.894 20 0 GCADHN Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)Cc2ncc[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189499 952930887 /nfs/dbraw/zinc/93/08/87/952930887.db2.gz WETQWESMWSPAFD-JSGCOSHPSA-N 0 3 381.444 0.655 20 0 GCADHN Cc1cncn1CC(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189658 952932251 /nfs/dbraw/zinc/93/22/51/952932251.db2.gz ZQPWZGWZASWIGP-AWEZNQCLSA-N 0 3 381.444 0.600 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571199160 952996061 /nfs/dbraw/zinc/99/60/61/952996061.db2.gz MQZXRQOBPMQUSS-QMTHXVAHSA-N 0 3 382.428 0.854 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571199160 952996065 /nfs/dbraw/zinc/99/60/65/952996065.db2.gz MQZXRQOBPMQUSS-QMTHXVAHSA-N 0 3 382.428 0.854 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001571199090 952996203 /nfs/dbraw/zinc/99/62/03/952996203.db2.gz LKCXXNVQQNMROG-CYBMUJFWSA-N 0 3 382.428 0.850 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571199805 953005368 /nfs/dbraw/zinc/00/53/68/953005368.db2.gz CJNVNFGMZROUBJ-RISCZKNCSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571199805 953005372 /nfs/dbraw/zinc/00/53/72/953005372.db2.gz CJNVNFGMZROUBJ-RISCZKNCSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571200406 953008526 /nfs/dbraw/zinc/00/85/26/953008526.db2.gz IHSZUDXKABDCNL-RISCZKNCSA-N 0 3 382.428 0.556 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571200406 953008532 /nfs/dbraw/zinc/00/85/32/953008532.db2.gz IHSZUDXKABDCNL-RISCZKNCSA-N 0 3 382.428 0.556 20 0 GCADHN Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cc1=O ZINC001571205097 953036305 /nfs/dbraw/zinc/03/63/05/953036305.db2.gz GLXNESSSNGHDME-CQSZACIVSA-N 0 3 382.428 0.288 20 0 GCADHN Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cc1=O ZINC001571205097 953036308 /nfs/dbraw/zinc/03/63/08/953036308.db2.gz GLXNESSSNGHDME-CQSZACIVSA-N 0 3 382.428 0.288 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ncnn1 ZINC001571205444 953038069 /nfs/dbraw/zinc/03/80/69/953038069.db2.gz JAYKSPFECOEDCJ-DOMZBBRYSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ncnn1 ZINC001571205444 953038070 /nfs/dbraw/zinc/03/80/70/953038070.db2.gz JAYKSPFECOEDCJ-DOMZBBRYSA-N 0 3 382.432 0.023 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571205397 953038335 /nfs/dbraw/zinc/03/83/35/953038335.db2.gz JDYLCWGCKFHFAH-AWEZNQCLSA-N 0 3 382.428 0.881 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571205397 953038338 /nfs/dbraw/zinc/03/83/38/953038338.db2.gz JDYLCWGCKFHFAH-AWEZNQCLSA-N 0 3 382.428 0.881 20 0 GCADHN Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC001571209741 953066954 /nfs/dbraw/zinc/06/69/54/953066954.db2.gz CLZXFBHUVPTERN-CQSZACIVSA-N 0 3 382.432 0.175 20 0 GCADHN Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC001571209741 953066957 /nfs/dbraw/zinc/06/69/57/953066957.db2.gz CLZXFBHUVPTERN-CQSZACIVSA-N 0 3 382.432 0.175 20 0 GCADHN Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC001571209741 953066961 /nfs/dbraw/zinc/06/69/61/953066961.db2.gz CLZXFBHUVPTERN-CQSZACIVSA-N 0 3 382.432 0.175 20 0 GCADHN Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC001571209741 953066966 /nfs/dbraw/zinc/06/69/66/953066966.db2.gz CLZXFBHUVPTERN-CQSZACIVSA-N 0 3 382.432 0.175 20 0 GCADHN O=C(NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571210840 953075077 /nfs/dbraw/zinc/07/50/77/953075077.db2.gz YCSBQXSEGNLHFO-KGYLQXTDSA-N 0 3 382.432 0.072 20 0 GCADHN O=C(NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571210840 953075083 /nfs/dbraw/zinc/07/50/83/953075083.db2.gz YCSBQXSEGNLHFO-KGYLQXTDSA-N 0 3 382.432 0.072 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001571211796 953081057 /nfs/dbraw/zinc/08/10/57/953081057.db2.gz GTERDLRWAYHFGY-VNQPRFMTSA-N 0 3 382.472 0.641 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001571211796 953081061 /nfs/dbraw/zinc/08/10/61/953081061.db2.gz GTERDLRWAYHFGY-VNQPRFMTSA-N 0 3 382.472 0.641 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)C1 ZINC001571211796 953081068 /nfs/dbraw/zinc/08/10/68/953081068.db2.gz GTERDLRWAYHFGY-VNQPRFMTSA-N 0 3 382.472 0.641 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)C1 ZINC001571211796 953081072 /nfs/dbraw/zinc/08/10/72/953081072.db2.gz GTERDLRWAYHFGY-VNQPRFMTSA-N 0 3 382.472 0.641 20 0 GCADHN Cc1cc(NC[C@H]2CCCCN2C(=O)Cc2nnc[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211899 953083026 /nfs/dbraw/zinc/08/30/26/953083026.db2.gz IJABVCIVGUWVGH-GFCCVEGCSA-N 0 3 382.432 0.146 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571213215 953093093 /nfs/dbraw/zinc/09/30/93/953093093.db2.gz PSBACEKITWPKHT-ZFWWWQNUSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571213215 953093096 /nfs/dbraw/zinc/09/30/96/953093096.db2.gz PSBACEKITWPKHT-ZFWWWQNUSA-N 0 3 382.472 0.831 20 0 GCADHN Cc1nn(C)c(N2CC[NH+](C[C@@H]3C[C@H]3c3cnn(C)c3)CC2)c1-c1nnn[n-]1 ZINC001571218752 953118794 /nfs/dbraw/zinc/11/87/94/953118794.db2.gz QARCCRNCYXDOAX-DZGCQCFKSA-N 0 3 382.476 0.568 20 0 GCADHN Nc1nccnc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571220257 953129407 /nfs/dbraw/zinc/12/94/07/953129407.db2.gz ZVZMEOHXYXRUEF-NSHDSACASA-N 0 3 383.391 0.382 20 0 GCADHN Nc1nccnc1C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571220257 953129411 /nfs/dbraw/zinc/12/94/11/953129411.db2.gz ZVZMEOHXYXRUEF-NSHDSACASA-N 0 3 383.391 0.382 20 0 GCADHN Cc1cc(N[C@H]2CCCN(C(=O)c3cn(C)c(=O)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571224682 953150388 /nfs/dbraw/zinc/15/03/88/953150388.db2.gz CSNCXPFBWXNNNY-NSHDSACASA-N 0 3 383.416 0.148 20 0 GCADHN CCN1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC1=O ZINC001571230455 953177795 /nfs/dbraw/zinc/17/77/95/953177795.db2.gz DLCQGEZWMIKGFX-JYJNAYRXSA-N 0 3 383.456 0.472 20 0 GCADHN CCN1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC1=O ZINC001571230455 953177797 /nfs/dbraw/zinc/17/77/97/953177797.db2.gz DLCQGEZWMIKGFX-JYJNAYRXSA-N 0 3 383.456 0.472 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001571230760 953179650 /nfs/dbraw/zinc/17/96/50/953179650.db2.gz JSLHEPLZQSYXOM-UHFFFAOYSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)C1 ZINC001571230760 953179652 /nfs/dbraw/zinc/17/96/52/953179652.db2.gz JSLHEPLZQSYXOM-UHFFFAOYSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)[C@@H]2C)C1 ZINC001571230930 953181712 /nfs/dbraw/zinc/18/17/12/953181712.db2.gz NOPQNDJUTGDWBK-YVEFUNNKSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)[C@@H]2C)C1 ZINC001571230930 953181714 /nfs/dbraw/zinc/18/17/14/953181714.db2.gz NOPQNDJUTGDWBK-YVEFUNNKSA-N 0 3 383.456 0.424 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CN1CCCC1=O ZINC001571231463 953184768 /nfs/dbraw/zinc/18/47/68/953184768.db2.gz XLFGUFOQFDDFPE-CZUORRHYSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CN1CCCC1=O ZINC001571231463 953184771 /nfs/dbraw/zinc/18/47/71/953184771.db2.gz XLFGUFOQFDDFPE-CZUORRHYSA-N 0 3 383.456 0.568 20 0 GCADHN O=C(C[C@@H]1CCNC1=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571231986 953185453 /nfs/dbraw/zinc/18/54/53/953185453.db2.gz AJZNAQVTLOKAOR-HNNXBMFYSA-N 0 3 383.456 0.474 20 0 GCADHN CN1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1=O ZINC001571231556 953185502 /nfs/dbraw/zinc/18/55/02/953185502.db2.gz ZUSDYFGNPRTJKE-AEGPPILISA-N 0 3 383.456 0.329 20 0 GCADHN CN1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1=O ZINC001571231556 953185503 /nfs/dbraw/zinc/18/55/03/953185503.db2.gz ZUSDYFGNPRTJKE-AEGPPILISA-N 0 3 383.456 0.329 20 0 GCADHN O=C(NCC1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCNC(=O)C1 ZINC001571232231 953186337 /nfs/dbraw/zinc/18/63/37/953186337.db2.gz CFMCGFNFNVUHQG-JVWICGRDSA-N 0 3 383.456 0.377 20 0 GCADHN O=C(NCC1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CCNC(=O)C1 ZINC001571232231 953186338 /nfs/dbraw/zinc/18/63/38/953186338.db2.gz CFMCGFNFNVUHQG-JVWICGRDSA-N 0 3 383.456 0.377 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571232527 953187851 /nfs/dbraw/zinc/18/78/51/953187851.db2.gz HMLSXHZGXVHWNJ-DAXOMENPSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571232527 953187852 /nfs/dbraw/zinc/18/78/52/953187852.db2.gz HMLSXHZGXVHWNJ-DAXOMENPSA-N 0 3 383.456 0.472 20 0 GCADHN CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1[NH2+]CCn1cccn1 ZINC001571233430 953192018 /nfs/dbraw/zinc/19/20/18/953192018.db2.gz VBFFXERQQCYFSY-UONOGXRCSA-N 0 3 383.460 0.922 20 0 GCADHN CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1[NH2+]CCn1cccn1 ZINC001571233430 953192019 /nfs/dbraw/zinc/19/20/19/953192019.db2.gz VBFFXERQQCYFSY-UONOGXRCSA-N 0 3 383.460 0.922 20 0 GCADHN O=C([C@@H]1CCNC(=O)CC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571233568 953193917 /nfs/dbraw/zinc/19/39/17/953193917.db2.gz YADLKCGEPHODOT-JKSUJKDBSA-N 0 3 383.456 0.474 20 0 GCADHN Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571233781 953196171 /nfs/dbraw/zinc/19/61/71/953196171.db2.gz CZHBENLZDWVQDC-WFASDCNBSA-N 0 3 383.460 0.925 20 0 GCADHN Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571233781 953196173 /nfs/dbraw/zinc/19/61/73/953196173.db2.gz CZHBENLZDWVQDC-WFASDCNBSA-N 0 3 383.460 0.925 20 0 GCADHN Cn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cn1 ZINC001571233865 953196653 /nfs/dbraw/zinc/19/66/53/953196653.db2.gz GITRGGSMXCBTOO-SHTZXODSSA-N 0 3 383.460 0.802 20 0 GCADHN Cn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC001571233865 953196657 /nfs/dbraw/zinc/19/66/57/953196657.db2.gz GITRGGSMXCBTOO-SHTZXODSSA-N 0 3 383.460 0.802 20 0 GCADHN C[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571239191 953236188 /nfs/dbraw/zinc/23/61/88/953236188.db2.gz HMGPVGOSFDXLKL-ABAIWWIYSA-N 0 3 384.419 0.990 20 0 GCADHN O=C(Cn1cccn1)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571242005 953252223 /nfs/dbraw/zinc/25/22/23/953252223.db2.gz SQJKJZJVMBNKLT-CQSZACIVSA-N 0 3 384.419 0.983 20 0 GCADHN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571242315 953255246 /nfs/dbraw/zinc/25/52/46/953255246.db2.gz ZEKLJYKUDAVDMD-HZPDHXFCSA-N 0 3 384.440 0.756 20 0 GCADHN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571242315 953255247 /nfs/dbraw/zinc/25/52/47/953255247.db2.gz ZEKLJYKUDAVDMD-HZPDHXFCSA-N 0 3 384.440 0.756 20 0 GCADHN CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001571246126 953280210 /nfs/dbraw/zinc/28/02/10/953280210.db2.gz ULNLTASWDNMHIU-UHFFFAOYSA-N 0 3 384.448 0.496 20 0 GCADHN CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001571246126 953280218 /nfs/dbraw/zinc/28/02/18/953280218.db2.gz ULNLTASWDNMHIU-UHFFFAOYSA-N 0 3 384.448 0.496 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1CNCc1cn(C)nn1 ZINC001571246135 953280361 /nfs/dbraw/zinc/28/03/61/953280361.db2.gz UVYOBUGDPDMLCQ-NWDGAFQWSA-N 0 3 384.448 0.211 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571255163 953345790 /nfs/dbraw/zinc/34/57/90/953345790.db2.gz LWBAFKJKBYOOGQ-ABAIWWIYSA-N 0 3 385.407 0.234 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571255163 953345792 /nfs/dbraw/zinc/34/57/92/953345792.db2.gz LWBAFKJKBYOOGQ-ABAIWWIYSA-N 0 3 385.407 0.234 20 0 GCADHN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001571255447 953349749 /nfs/dbraw/zinc/34/97/49/953349749.db2.gz QAIALTWFYHHFQW-PWSUYJOCSA-N 0 3 385.407 0.764 20 0 GCADHN C[NH+](C)CCOc1ccc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cc1 ZINC001119532554 982981140 /nfs/dbraw/zinc/98/11/40/982981140.db2.gz ZJLXDIDLDXYIAC-HXUWFJFHSA-N 0 3 377.485 0.988 20 0 GCADHN C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC001594516854 985920181 /nfs/dbraw/zinc/92/01/81/985920181.db2.gz UJNXUZMQWYGEJA-KLAILNCOSA-N 0 3 381.521 0.393 20 0 GCADHN CC(C)(C)OC(=O)CN1CCCC[C@@H]([NH2+]C2CCN(CC(=O)[O-])CC2)C1=O ZINC001589890030 988569018 /nfs/dbraw/zinc/56/90/18/988569018.db2.gz HWALSPAJARRQPO-OAHLLOKOSA-N 0 3 383.489 0.848 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)[C@H](c2cnn(C)c2)C1 ZINC001591610750 992858497 /nfs/dbraw/zinc/85/84/97/992858497.db2.gz IPHPCQLDTRYSAS-SQNIBIBYSA-N 0 3 391.516 0.709 20 0 GCADHN CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)[C@H](c2cnn(C)c2)C1 ZINC001591610750 992858501 /nfs/dbraw/zinc/85/85/01/992858501.db2.gz IPHPCQLDTRYSAS-SQNIBIBYSA-N 0 3 391.516 0.709 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)[C@@H](c2cnn(C)c2)C1 ZINC001591610749 992858989 /nfs/dbraw/zinc/85/89/89/992858989.db2.gz IPHPCQLDTRYSAS-OKZBNKHCSA-N 0 3 391.516 0.709 20 0 GCADHN CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)[C@@H](c2cnn(C)c2)C1 ZINC001591610749 992858994 /nfs/dbraw/zinc/85/89/94/992858994.db2.gz IPHPCQLDTRYSAS-OKZBNKHCSA-N 0 3 391.516 0.709 20 0 GCADHN O=C(CS(=O)(=O)c1cccc(Br)c1)NC[C@@H]1CNCCO1 ZINC000643603416 530152774 /nfs/dbraw/zinc/15/27/74/530152774.db2.gz SVRFVNPBGBQTEP-NSHDSACASA-N 0 3 377.260 0.327 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NCC1CC[NH2+]CC1 ZINC000120672397 530153443 /nfs/dbraw/zinc/15/34/43/530153443.db2.gz CUDKPFBORJHNRY-UHFFFAOYSA-N 0 3 396.332 0.905 20 0 GCADHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000264179854 530153513 /nfs/dbraw/zinc/15/35/13/530153513.db2.gz YKJWQURMQOYGNM-CYBMUJFWSA-N 0 3 377.532 0.946 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)CCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000530702555 530156257 /nfs/dbraw/zinc/15/62/57/530156257.db2.gz WEWZKWHZCQQJTI-GASCZTMLSA-N 0 3 375.535 0.664 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1c(Br)cnn1C ZINC000637629336 530117994 /nfs/dbraw/zinc/11/79/94/530117994.db2.gz AWINVTIFVXXGJO-UHFFFAOYSA-N 0 3 389.298 0.344 20 0 GCADHN C[C@H]1NCCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)[C@H]1C ZINC000648127942 530118289 /nfs/dbraw/zinc/11/82/89/530118289.db2.gz SAOUZYKMNIHGFZ-MNOVXSKESA-N 0 3 390.303 0.936 20 0 GCADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C[C@H](C)N1 ZINC000154236989 530119081 /nfs/dbraw/zinc/11/90/81/530119081.db2.gz VHPLHOZARMIPFU-DTORHVGOSA-N 0 3 396.332 0.998 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@](=O)CC[C@@H]1C ZINC000530478206 530120129 /nfs/dbraw/zinc/12/01/29/530120129.db2.gz AVRNWGGZHKASPA-DAOPMYJZSA-N 0 3 376.548 0.593 20 0 GCADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000607160761 530122408 /nfs/dbraw/zinc/12/24/08/530122408.db2.gz ASLLRHVDVFHLGX-QWHCGFSZSA-N 0 3 375.516 0.827 20 0 GCADHN O=C(CNS(=O)(=O)c1cccc(Br)c1)NC[C@@H]1C[C@H](F)CN1 ZINC000648141228 530123105 /nfs/dbraw/zinc/12/31/05/530123105.db2.gz PGGRZTBIQPCAFP-QWRGUYRKSA-N 0 3 394.266 0.544 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H]3CNCCO3)C2)s1 ZINC000333308798 530124110 /nfs/dbraw/zinc/12/41/10/530124110.db2.gz RIBNCPRZRQZVEC-UONOGXRCSA-N 0 3 387.527 0.562 20 0 GCADHN CS(=O)(=O)C1(C(=O)NCCNC(=O)c2ccc(Cl)cc2)CCNCC1 ZINC000262188904 530132602 /nfs/dbraw/zinc/13/26/02/530132602.db2.gz LTPZTTHVRAFGEU-UHFFFAOYSA-N 0 3 387.889 0.353 20 0 GCADHN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3C[C@H](O)CN3)n2)cc1 ZINC000262380286 530134398 /nfs/dbraw/zinc/13/43/98/530134398.db2.gz NTHZMZXKKMCELL-NWDGAFQWSA-N 0 3 382.467 0.843 20 0 GCADHN CC[C@@H](NC[C@H](O)Cn1ccnn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414171841 530140455 /nfs/dbraw/zinc/14/04/55/530140455.db2.gz DDMZDXHYAGNGDA-GXTWGEPZSA-N 0 3 387.893 0.941 20 0 GCADHN NS(=O)(=O)c1ccc(CC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)s1 ZINC000625181118 530140842 /nfs/dbraw/zinc/14/08/42/530140842.db2.gz DJBIFFKFGVKRRK-ZDUSSCGKSA-N 0 3 387.527 0.651 20 0 GCADHN C[C@@H]([NH3+])[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000647878391 530142420 /nfs/dbraw/zinc/14/24/20/530142420.db2.gz BHEUNOLFPMPGES-SKDRFNHKSA-N 0 3 396.296 0.846 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2(N(C)C)CCCC2)cc1 ZINC000045744217 530142669 /nfs/dbraw/zinc/14/26/69/530142669.db2.gz XHIHQEUMKPMXOS-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)c(F)c1 ZINC000530534591 530145394 /nfs/dbraw/zinc/14/53/94/530145394.db2.gz GNYKEYUKYHUGPY-UHFFFAOYSA-N 0 3 375.466 0.726 20 0 GCADHN CCN(CCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C1CC1 ZINC000263802823 530146344 /nfs/dbraw/zinc/14/63/44/530146344.db2.gz ZQRLVQXOPYXIKL-UHFFFAOYSA-N 0 3 387.527 0.983 20 0 GCADHN CN(C)Cc1ccccc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000048174085 530146752 /nfs/dbraw/zinc/14/67/52/530146752.db2.gz XDYWBWXGJAVHKU-UHFFFAOYSA-N 0 3 381.230 0.999 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1[nH]nc2c1CNCC2 ZINC000188310541 530150022 /nfs/dbraw/zinc/15/00/22/530150022.db2.gz NHPVUEFVBNOSHH-UHFFFAOYSA-N 0 3 383.861 0.417 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3F)CCN2C1=O ZINC000565608063 530189037 /nfs/dbraw/zinc/18/90/37/530189037.db2.gz CJEHMYWKEIVFDI-MWLCHTKSSA-N 0 3 392.250 0.521 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)cc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000556849974 530189052 /nfs/dbraw/zinc/18/90/52/530189052.db2.gz MSVOXBSMOQWEBO-QGZVFWFLSA-N 0 3 396.285 0.752 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCCC3)C2)cc1 ZINC000265799297 530190424 /nfs/dbraw/zinc/19/04/24/530190424.db2.gz NUDKDXYOTLOHPU-AWEZNQCLSA-N 0 3 387.527 0.701 20 0 GCADHN CN(C)[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C[C@@H]1O ZINC000556973378 530190761 /nfs/dbraw/zinc/19/07/61/530190761.db2.gz DUKOPMRKVRMTNO-KBPBESRZSA-N 0 3 375.878 0.142 20 0 GCADHN CC(C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)S(C)(=O)=O ZINC000047958564 530194200 /nfs/dbraw/zinc/19/42/00/530194200.db2.gz FYVYNZPMSPOABZ-CYBMUJFWSA-N 0 3 388.511 0.911 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2cc(F)ccc2Br)[C@H](CN)C1 ZINC000557265106 530194719 /nfs/dbraw/zinc/19/47/19/530194719.db2.gz DAAFQXHGKJJEGS-GFCCVEGCSA-N 0 3 387.253 0.306 20 0 GCADHN CCN(CC)[C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)c1ccsc1 ZINC000557524750 530196647 /nfs/dbraw/zinc/19/66/47/530196647.db2.gz LKTZMOCKNWOTSL-CQSZACIVSA-N 0 3 376.548 0.985 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(F)cc2Br)n1 ZINC000557537377 530196825 /nfs/dbraw/zinc/19/68/25/530196825.db2.gz DXRAIQSYZCNCNM-UHFFFAOYSA-N 0 3 399.268 0.876 20 0 GCADHN CC(C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000048045246 530197477 /nfs/dbraw/zinc/19/74/77/530197477.db2.gz NYYVJOIBBCFZLG-GFCCVEGCSA-N 0 3 392.474 0.482 20 0 GCADHN C[C@H](C[S@](C)=O)Nc1nc(N[C@H](C)C[S@](C)=O)nc(NC(C)(C)C)n1 ZINC000557632437 530198341 /nfs/dbraw/zinc/19/83/41/530198341.db2.gz TYXOWJRNTDWKKW-IBRAQLGESA-N 0 3 390.579 0.284 20 0 GCADHN CN1CCCC[C@@H](CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000625423788 530199815 /nfs/dbraw/zinc/19/98/15/530199815.db2.gz ZTDTUEYVJYVZJU-HNNXBMFYSA-N 0 3 389.543 0.616 20 0 GCADHN CCO[C@H]1C[C@@H](NCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000564858927 530200291 /nfs/dbraw/zinc/20/02/91/530200291.db2.gz GEKKLEAEQGQCDW-OKILXGFUSA-N 0 3 390.527 0.868 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000264462357 530158829 /nfs/dbraw/zinc/15/88/29/530158829.db2.gz JIVULYBCSHZCRO-CYBMUJFWSA-N 0 3 389.905 0.845 20 0 GCADHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2c(Br)cnn2C)n1 ZINC000635265150 530169189 /nfs/dbraw/zinc/16/91/89/530169189.db2.gz OGFMPTXKDKCYDQ-UHFFFAOYSA-N 0 3 398.265 0.196 20 0 GCADHN CCN(CC)CCN(C(=O)[C@H]1CNCCC1(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000648149270 530171627 /nfs/dbraw/zinc/17/16/27/530171627.db2.gz FRULSIUTORGJMK-ZIAGYGMSSA-N 0 3 381.489 0.589 20 0 GCADHN CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000607253939 530175293 /nfs/dbraw/zinc/17/52/93/530175293.db2.gz XNWGLCJNPXOLCB-ARFHVFGLSA-N 0 3 375.535 0.734 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000539026229 530176106 /nfs/dbraw/zinc/17/61/06/530176106.db2.gz HZUXZOCCIYHCGS-FRRDWIJNSA-N 0 3 383.605 0.551 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 ZINC000265367271 530180288 /nfs/dbraw/zinc/18/02/88/530180288.db2.gz HAJPFBKHYXSKGF-UHFFFAOYSA-N 0 3 375.397 0.832 20 0 GCADHN Cc1ccc(I)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000564472077 530251135 /nfs/dbraw/zinc/25/11/35/530251135.db2.gz WIYJWUYNQQENEN-MFKMUULPSA-N 0 3 399.232 0.984 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000559161553 530223854 /nfs/dbraw/zinc/22/38/54/530223854.db2.gz VGBJVNBCNLZQKR-UWVGGRQHSA-N 0 3 379.422 0.778 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)COc1ccc(I)cc1 ZINC000588864668 530226549 /nfs/dbraw/zinc/22/65/49/530226549.db2.gz MWEYOIHPFWEEKD-NSHDSACASA-N 0 3 378.210 0.709 20 0 GCADHN CC(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncc(Cl)s1 ZINC000663247913 530228410 /nfs/dbraw/zinc/22/84/10/530228410.db2.gz ZHXZTEZDBWVPAF-YUMQZZPRSA-N 0 3 386.904 0.604 20 0 GCADHN C[C@H](C(=O)N(C)CCCN(C)CCN(C)C)S(=O)(=O)C1CCOCC1 ZINC000518436197 530229971 /nfs/dbraw/zinc/22/99/71/530229971.db2.gz CLDAQBIJFXYHBO-OAHLLOKOSA-N 0 3 377.551 0.311 20 0 GCADHN O=C1COc2cc(S(=O)(=O)NCCNC3CC3)c(Br)cc2N1 ZINC000647209843 530230316 /nfs/dbraw/zinc/23/03/16/530230316.db2.gz NTKDHMMXYKIEHH-UHFFFAOYSA-N 0 3 390.259 0.810 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCCNC2CC2)s1 ZINC000647209945 530231048 /nfs/dbraw/zinc/23/10/48/530231048.db2.gz AMXQAPPMBOFHBO-UHFFFAOYSA-N 0 3 381.545 0.260 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000268781931 530232591 /nfs/dbraw/zinc/23/25/91/530232591.db2.gz ITCUQFQJCLUGAG-BBRMVZONSA-N 0 3 387.527 0.700 20 0 GCADHN C[C@@H](NCCCS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000268822418 530232871 /nfs/dbraw/zinc/23/28/71/530232871.db2.gz AGTBEFQDWFQGAW-CQSZACIVSA-N 0 3 390.527 0.793 20 0 GCADHN CCCCN(C)CCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000569382219 530233470 /nfs/dbraw/zinc/23/34/70/530233470.db2.gz FZZKJSQVQCUMLE-HNNXBMFYSA-N 0 3 377.555 0.678 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000269004587 530234404 /nfs/dbraw/zinc/23/44/04/530234404.db2.gz VRFWDSPUBZMWEM-ZDUSSCGKSA-N 0 3 384.278 0.411 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000269157429 530236059 /nfs/dbraw/zinc/23/60/59/530236059.db2.gz IQYWJNXOVZAUTF-UHFFFAOYSA-N 0 3 381.483 0.470 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000564658155 530251828 /nfs/dbraw/zinc/25/18/28/530251828.db2.gz ULFDMHUTWXKDRP-UONOGXRCSA-N 0 3 399.289 0.533 20 0 GCADHN CSc1nnc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)s1 ZINC000569532427 530238060 /nfs/dbraw/zinc/23/80/60/530238060.db2.gz UWNMONXDJNXRSF-NSHDSACASA-N 0 3 387.531 0.445 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCOc2cccc(Br)c2)[C@@H](CN)C1 ZINC000518736756 530239056 /nfs/dbraw/zinc/23/90/56/530239056.db2.gz SAXGUNWDHJCWJH-ZDUSSCGKSA-N 0 3 399.289 0.045 20 0 GCADHN COCCN(C)CCCNC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000269383924 530239720 /nfs/dbraw/zinc/23/97/20/530239720.db2.gz YWVPUTLCGSPELA-UHFFFAOYSA-N 0 3 392.547 0.636 20 0 GCADHN N[C@@H]1C[C@H]2CN([C@@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707503 530241792 /nfs/dbraw/zinc/24/17/92/530241792.db2.gz BGNNBRUZVNLZPE-GZBFAFLISA-N 0 3 393.285 0.946 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000269559107 530243070 /nfs/dbraw/zinc/24/30/70/530243070.db2.gz DYYJURAGDHHURX-CHWSQXEVSA-N 0 3 375.516 0.378 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000269559107 530243072 /nfs/dbraw/zinc/24/30/72/530243072.db2.gz DYYJURAGDHHURX-CHWSQXEVSA-N 0 3 375.516 0.378 20 0 GCADHN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCO[C@@H]([C@H](C)N)C2)c1 ZINC000647234476 530247903 /nfs/dbraw/zinc/24/79/03/530247903.db2.gz RTKJYKQTNQLOIY-QWHCGFSZSA-N 0 3 376.500 0.444 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@](C)(O)CN(C)C)s1 ZINC000269859733 530252357 /nfs/dbraw/zinc/25/23/57/530252357.db2.gz CPBRBPBFNQRLKX-CJNGLKHVSA-N 0 3 389.543 0.638 20 0 GCADHN CCN(C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000267238347 530210491 /nfs/dbraw/zinc/21/04/91/530210491.db2.gz MFHHADUPQUUYPP-GFCCVEGCSA-N 0 3 375.516 0.516 20 0 GCADHN CC(C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1)S(C)(=O)=O ZINC000267760592 530216631 /nfs/dbraw/zinc/21/66/31/530216631.db2.gz DVXHIHYYOFLIBJ-WCQYABFASA-N 0 3 377.459 0.775 20 0 GCADHN CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000414461764 530218459 /nfs/dbraw/zinc/21/84/59/530218459.db2.gz GCYKHIGPBZGEQZ-HOTGVXAUSA-N 0 3 387.527 0.888 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1F ZINC000267955691 530218524 /nfs/dbraw/zinc/21/85/24/530218524.db2.gz LMNIADXOZJEAID-HNNXBMFYSA-N 0 3 375.491 0.901 20 0 GCADHN C[C@H]1CN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@H]1N(C)C ZINC000268106117 530221428 /nfs/dbraw/zinc/22/14/28/530221428.db2.gz BXOYBNLZWQRTPI-XJKSGUPXSA-N 0 3 387.527 0.797 20 0 GCADHN O=S1(=O)CCO[C@H](CNC[C@@H](O)COc2cccc(Br)c2)C1 ZINC000566112190 530221858 /nfs/dbraw/zinc/22/18/58/530221858.db2.gz RRIYMFVEAGRIBE-TZMCWYRMSA-N 0 3 394.287 0.592 20 0 GCADHN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC1(SC)CCN(C)CC1 ZINC000564410621 530271328 /nfs/dbraw/zinc/27/13/28/530271328.db2.gz CWCKHMJTYSAJOP-CYBMUJFWSA-N 0 3 379.548 0.676 20 0 GCADHN C[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271486799 530272908 /nfs/dbraw/zinc/27/29/08/530272908.db2.gz JVDOFSGQCZJEHW-KBPBESRZSA-N 0 3 389.543 0.869 20 0 GCADHN CNS(=O)(=O)c1ccc([C@H](C)NC[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC000271554897 530273206 /nfs/dbraw/zinc/27/32/06/530273206.db2.gz VSMZSGFXHGGNNW-GXTWGEPZSA-N 0 3 375.516 0.669 20 0 GCADHN C[C@H]([NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000647273127 530273364 /nfs/dbraw/zinc/27/33/64/530273364.db2.gz AJEOGIKKVWMIGP-QMMMGPOBSA-N 0 3 375.394 0.153 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000123151531 530274089 /nfs/dbraw/zinc/27/40/89/530274089.db2.gz FQDPQPDVDUFXTM-AWEZNQCLSA-N 0 3 386.905 0.803 20 0 GCADHN CN1CC=C(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000271941245 530277082 /nfs/dbraw/zinc/27/70/82/530277082.db2.gz WTLZPNHGNDAGSE-UHFFFAOYSA-N 0 3 384.527 0.744 20 0 GCADHN CCCN(CC)CCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000125458355 530277709 /nfs/dbraw/zinc/27/77/09/530277709.db2.gz DNHDNIFDSLLVLB-UHFFFAOYSA-N 0 3 387.278 0.934 20 0 GCADHN C[C@H]([NH3+])[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000272207704 530279436 /nfs/dbraw/zinc/27/94/36/530279436.db2.gz HGQGLWFLQKITKZ-DTWKUNHWSA-N 0 3 396.332 0.985 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1=O ZINC000127089432 530281233 /nfs/dbraw/zinc/28/12/33/530281233.db2.gz VWEOFEYGVXTWFO-JTQLQIEISA-N 0 3 385.262 0.496 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000538238455 530281429 /nfs/dbraw/zinc/28/14/29/530281429.db2.gz UOLWGHUYGFQCCD-UHFFFAOYSA-N 0 3 390.893 0.549 20 0 GCADHN C[C@H](NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C1=CCN(C)CC1 ZINC000272749441 530282699 /nfs/dbraw/zinc/28/26/99/530282699.db2.gz DUIMASUBYBAQNS-JSGCOSHPSA-N 0 3 387.527 0.832 20 0 GCADHN C[C@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C1=CCN(C)CC1 ZINC000272749440 530282887 /nfs/dbraw/zinc/28/28/87/530282887.db2.gz DUIMASUBYBAQNS-GXTWGEPZSA-N 0 3 387.527 0.832 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128245573 530283722 /nfs/dbraw/zinc/28/37/22/530283722.db2.gz YNPSDJXOVDYSHQ-NSHDSACASA-N 0 3 385.262 0.243 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(C)C1CNC1 ZINC000647299524 530283726 /nfs/dbraw/zinc/28/37/26/530283726.db2.gz PYHJAZQGNMONGU-UHFFFAOYSA-N 0 3 387.527 0.762 20 0 GCADHN Cc1ccc(S(=O)(=O)N(C)C2CNC2)cc1S(=O)(=O)N1CCCCC1 ZINC000647299629 530284155 /nfs/dbraw/zinc/28/41/55/530284155.db2.gz XWKBNPRGUSRUBO-UHFFFAOYSA-N 0 3 387.527 0.762 20 0 GCADHN O=C([C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCN(c2ccncc2)CC1 ZINC000635133253 530285200 /nfs/dbraw/zinc/28/52/00/530285200.db2.gz RSKKWPDCUUHJDR-QWHCGFSZSA-N 0 3 377.388 0.953 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1 ZINC000273536689 530289135 /nfs/dbraw/zinc/28/91/35/530289135.db2.gz SEHIMEQSTUTAKI-ZDUSSCGKSA-N 0 3 389.543 0.946 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000132081100 530290324 /nfs/dbraw/zinc/29/03/24/530290324.db2.gz ZBNUESXJQHLTPT-AWEZNQCLSA-N 0 3 376.226 0.956 20 0 GCADHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000564740051 530291623 /nfs/dbraw/zinc/29/16/23/530291623.db2.gz NEZDVKOJXYBRCN-CMPLNLGQSA-N 0 3 385.237 0.771 20 0 GCADHN CN(C(=O)CS[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370832143 530253074 /nfs/dbraw/zinc/25/30/74/530253074.db2.gz XMMCNIALGLMRTI-HZPDHXFCSA-N 0 3 389.587 0.534 20 0 GCADHN CN(C(=O)CS[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370832141 530253201 /nfs/dbraw/zinc/25/32/01/530253201.db2.gz XMMCNIALGLMRTI-CVEARBPZSA-N 0 3 389.587 0.534 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000269895438 530253642 /nfs/dbraw/zinc/25/36/42/530253642.db2.gz LIODNINOTSCUHS-CQSZACIVSA-N 0 3 376.226 0.956 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)cc1Br ZINC000269955434 530255000 /nfs/dbraw/zinc/25/50/00/530255000.db2.gz WOAZORYMOQGLEP-OAHLLOKOSA-N 0 3 388.262 0.825 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000274140042 530293470 /nfs/dbraw/zinc/29/34/70/530293470.db2.gz DESDALCXAHRLRE-GXTWGEPZSA-N 0 3 389.495 0.864 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(C)([NH3+])CC2)c(OC)c1 ZINC000647254271 530261779 /nfs/dbraw/zinc/26/17/79/530261779.db2.gz ASPLGYICPKQTPQ-UHFFFAOYSA-N 0 3 391.515 0.959 20 0 GCADHN CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H]1N(C)C ZINC000270622977 530262313 /nfs/dbraw/zinc/26/23/13/530262313.db2.gz DRCLNRVNUUEOBH-BYCMXARLSA-N 0 3 386.543 0.638 20 0 GCADHN COc1cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)ccc1Br ZINC000566300465 530262341 /nfs/dbraw/zinc/26/23/41/530262341.db2.gz MDDYGYAKWOCIFD-SNVBAGLBSA-N 0 3 378.292 0.721 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000626023962 530262414 /nfs/dbraw/zinc/26/24/14/530262414.db2.gz XEFNLSSWTVUSND-XHSDSOJGSA-N 0 3 375.535 0.664 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000583355185 530266731 /nfs/dbraw/zinc/26/67/31/530266731.db2.gz HZJAQUVSZYXJPG-HUUCEWRRSA-N 0 3 375.539 0.431 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1O ZINC000560636628 530268020 /nfs/dbraw/zinc/26/80/20/530268020.db2.gz YNNNCVGTJHIJAX-KKUMJFAQSA-N 0 3 396.285 0.935 20 0 GCADHN COCC[NH2+]CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000271136765 530268227 /nfs/dbraw/zinc/26/82/27/530268227.db2.gz NIZXIUFYGWANLC-UHFFFAOYSA-N 0 3 375.466 0.868 20 0 GCADHN CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccs2)C[C@H]1N(C)C ZINC000271129716 530268281 /nfs/dbraw/zinc/26/82/81/530268281.db2.gz MPCDMQRALKZLMM-VXGBXAGGSA-N 0 3 377.557 0.921 20 0 GCADHN CS[C@@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C[C@@H]1N(C)C ZINC000271127436 530268296 /nfs/dbraw/zinc/26/82/96/530268296.db2.gz MDVOPULTYBSBKS-GXTWGEPZSA-N 0 3 391.584 0.957 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCN(C2CCCC2)CC1 ZINC000120256550 530269289 /nfs/dbraw/zinc/26/92/89/530269289.db2.gz WOTVFYCJDYJFPJ-UHFFFAOYSA-N 0 3 385.262 0.386 20 0 GCADHN CC(C)NS(=O)(=O)NCCN[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000277163036 530329829 /nfs/dbraw/zinc/32/98/29/530329829.db2.gz RHCXMMYRPGBKPW-LLVKDONJSA-N 0 3 377.898 0.874 20 0 GCADHN CCS(=O)(=O)Nc1ccc([C@H](C)NCCNS(=O)(=O)NC(C)C)cc1 ZINC000277223336 530330166 /nfs/dbraw/zinc/33/01/66/530330166.db2.gz YAHVSELEZANFJD-ZDUSSCGKSA-N 0 3 392.547 0.931 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCN(CCOC)CC1 ZINC000141375950 530297556 /nfs/dbraw/zinc/29/75/56/530297556.db2.gz DEVIUDDMSOUYQG-INIZCTEOSA-N 0 3 375.535 0.808 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c1 ZINC000146606141 530298232 /nfs/dbraw/zinc/29/82/32/530298232.db2.gz NCTFSQLONJBGEB-CQSZACIVSA-N 0 3 387.527 0.796 20 0 GCADHN CC(C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)S(C)(=O)=O ZINC000138991673 530299273 /nfs/dbraw/zinc/29/92/73/530299273.db2.gz BGVNRIDPDQCQSG-LBPRGKRZSA-N 0 3 377.484 0.751 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)[C@]2(N)C[C@H](OCC)C2(C)C)CC1 ZINC000444139674 530300566 /nfs/dbraw/zinc/30/05/66/530300566.db2.gz JEJGMJZOJNWWBU-WMLDXEAASA-N 0 3 375.535 0.839 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC1CCN(CCOC)CC1 ZINC000141335651 530300822 /nfs/dbraw/zinc/30/08/22/530300822.db2.gz OGZAGPXQAKULEG-MRXNPFEDSA-N 0 3 375.535 0.808 20 0 GCADHN COCCN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000142450101 530301854 /nfs/dbraw/zinc/30/18/54/530301854.db2.gz XFTMFGDRUQIRCS-GFCCVEGCSA-N 0 3 375.516 0.642 20 0 GCADHN O=C(NCCCCN1CCC[C@@H]1CO)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635710511 530305834 /nfs/dbraw/zinc/30/58/34/530305834.db2.gz LYTYAUAVLCRBIK-FRRDWIJNSA-N 0 3 386.436 0.563 20 0 GCADHN C[C@H](O)CCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000572602482 530307522 /nfs/dbraw/zinc/30/75/22/530307522.db2.gz RXQPEQGQLMNDRV-ZDUSSCGKSA-N 0 3 378.516 0.461 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC000635864471 530307956 /nfs/dbraw/zinc/30/79/56/530307956.db2.gz IVBCIFSWKSSSLD-OAHLLOKOSA-N 0 3 377.551 0.863 20 0 GCADHN CN(C)CCN(C)CCCN(C)C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000635934402 530308374 /nfs/dbraw/zinc/30/83/74/530308374.db2.gz PVCHRZHVFGTUKR-OLZOCXBDSA-N 0 3 387.468 0.551 20 0 GCADHN O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NC[C@H]1CNCCO1 ZINC000572630643 530310159 /nfs/dbraw/zinc/31/01/59/530310159.db2.gz HYUSXULICYMMAO-LLVKDONJSA-N 0 3 396.241 0.540 20 0 GCADHN C[NH2+][C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000151032686 530310711 /nfs/dbraw/zinc/31/07/11/530310711.db2.gz URWXGAHHHHRGMP-VIFPVBQESA-N 0 3 396.332 0.999 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)CCC1 ZINC000275471224 530311859 /nfs/dbraw/zinc/31/18/59/530311859.db2.gz APCVUXGBIGTZLK-UHFFFAOYSA-N 0 3 385.262 0.687 20 0 GCADHN CSc1nnc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000275610255 530313594 /nfs/dbraw/zinc/31/35/94/530313594.db2.gz GSOOMWVZKVXGTB-NSHDSACASA-N 0 3 384.531 0.708 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000275598367 530313646 /nfs/dbraw/zinc/31/36/46/530313646.db2.gz SBQOOLJMFXNLCU-UHFFFAOYSA-N 0 3 389.543 0.899 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 ZINC000275876755 530317518 /nfs/dbraw/zinc/31/75/18/530317518.db2.gz LLBADQONAXAQGK-UHFFFAOYSA-N 0 3 389.543 0.314 20 0 GCADHN CN(C)[C@H]1CN(C[C@H](O)COc2cc(F)cc(Br)c2)C[C@@H]1O ZINC000570407606 530319131 /nfs/dbraw/zinc/31/91/31/530319131.db2.gz HBPVDRIXOUASRP-QEJZJMRPSA-N 0 3 377.254 0.935 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CCC[NH3+])c(OC)c1 ZINC000570450763 530319649 /nfs/dbraw/zinc/31/96/49/530319649.db2.gz SYQJPLVIIVUCAR-LLVKDONJSA-N 0 3 379.504 0.863 20 0 GCADHN O=C(C[C@@H]1CSCCN1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000570443691 530319754 /nfs/dbraw/zinc/31/97/54/530319754.db2.gz QBRAPTKAMDDQME-CABCVRRESA-N 0 3 375.560 0.935 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1F ZINC000154885050 530319829 /nfs/dbraw/zinc/31/98/29/530319829.db2.gz PXJCZLHOLSFXRJ-LLVKDONJSA-N 0 3 376.475 0.992 20 0 GCADHN Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000570464959 530320135 /nfs/dbraw/zinc/32/01/35/530320135.db2.gz XPQHCYLHARKYMY-JQWIXIFHSA-N 0 3 388.287 0.690 20 0 GCADHN CC(C)[C@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000157325531 530324102 /nfs/dbraw/zinc/32/41/02/530324102.db2.gz JARJKRPIXKYDOJ-MRVPVSSYSA-N 0 3 384.321 0.888 20 0 GCADHN CN1CCN(C(=O)COc2cccc(I)c2)[C@@H](CN)C1 ZINC000570799500 530325264 /nfs/dbraw/zinc/32/52/64/530325264.db2.gz RIRTUTSMGIBVFH-LBPRGKRZSA-N 0 3 389.237 0.771 20 0 GCADHN [NH3+]C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000178589590 530364459 /nfs/dbraw/zinc/36/44/59/530364459.db2.gz YLIBAWSQXWWJGC-MRVPVSSYSA-N 0 3 382.305 0.596 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)N(C)C1CC1 ZINC000179730757 530367574 /nfs/dbraw/zinc/36/75/74/530367574.db2.gz HXLSXNRDLOKVNO-SECBINFHSA-N 0 3 385.262 0.685 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2ccc(Br)cc2-n2cnnn2)C[C@@H]1O ZINC000623028591 530367587 /nfs/dbraw/zinc/36/75/87/530367587.db2.gz PMYLMRCTCZSHDH-STQMWFEESA-N 0 3 381.234 0.172 20 0 GCADHN CCN(CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)C1CC1 ZINC000179729621 530367837 /nfs/dbraw/zinc/36/78/37/530367837.db2.gz LGDQYJQNRBMSEV-UHFFFAOYSA-N 0 3 385.262 0.687 20 0 GCADHN CCN1CCN(CCNC(=O)c2cc(Br)c(C)n(C)c2=O)CC1 ZINC000277415297 530331671 /nfs/dbraw/zinc/33/16/71/530331671.db2.gz LESFGVOBINSCRO-UHFFFAOYSA-N 0 3 385.306 0.824 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)NCCCN2CCCO[C@@H](C)C2)c1 ZINC000277393650 530331769 /nfs/dbraw/zinc/33/17/69/530331769.db2.gz DKWYPFWAYATTOD-LBPRGKRZSA-N 0 3 375.516 0.887 20 0 GCADHN N[C@@H]1C[C@@H]2CN(Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132901 530368027 /nfs/dbraw/zinc/36/80/27/530368027.db2.gz BTOATMMTWOBWGB-CHWSQXEVSA-N 0 3 392.257 0.201 20 0 GCADHN CN1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)[C@H](CN)C1 ZINC000162489612 530333743 /nfs/dbraw/zinc/33/37/43/530333743.db2.gz PGPBLJAMZWINES-GFCCVEGCSA-N 0 3 397.273 0.276 20 0 GCADHN CN1CCN(C(=O)CN2c3ccc(Br)cc3OCC2=O)[C@@H](CN)C1 ZINC000162489719 530333888 /nfs/dbraw/zinc/33/38/88/530333888.db2.gz PGPBLJAMZWINES-LBPRGKRZSA-N 0 3 397.273 0.276 20 0 GCADHN CC(C)[C@@H](CO)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000580196547 530338911 /nfs/dbraw/zinc/33/89/11/530338911.db2.gz RLAXDCRHRYPFDA-CQSZACIVSA-N 0 3 392.543 0.565 20 0 GCADHN COCCN(C)CCNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623017971 530339835 /nfs/dbraw/zinc/33/98/35/530339835.db2.gz QHLSVFFHDWYUPH-UHFFFAOYSA-N 0 3 383.250 0.733 20 0 GCADHN CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1F ZINC000278358698 530340609 /nfs/dbraw/zinc/34/06/09/530340609.db2.gz JCSRFKKBLVSFDX-TXEJJXNPSA-N 0 3 391.490 0.769 20 0 GCADHN CN1CCC(O)(CNC(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000623019657 530342203 /nfs/dbraw/zinc/34/22/03/530342203.db2.gz CKHWNGZFYVYRCB-UHFFFAOYSA-N 0 3 395.261 0.611 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cccc(S(=O)(=O)CC)c2)CC1 ZINC000278776353 530343516 /nfs/dbraw/zinc/34/35/16/530343516.db2.gz LIWHGPKPGUFIGS-UHFFFAOYSA-N 0 3 389.543 0.396 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623021202 530345835 /nfs/dbraw/zinc/34/58/35/530345835.db2.gz JBWWGSITDINXHT-AWEZNQCLSA-N 0 3 383.250 0.467 20 0 GCADHN CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000637927440 530346122 /nfs/dbraw/zinc/34/61/22/530346122.db2.gz OQEGGDLLOBOYDQ-CJNGLKHVSA-N 0 3 387.527 0.784 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)s1 ZINC000562996535 530346703 /nfs/dbraw/zinc/34/67/03/530346703.db2.gz LLSDWCOUIPPCRJ-NFAWXSAZSA-N 0 3 391.559 0.395 20 0 GCADHN Cn1nc(Br)c2c1ncn(CC(=O)NC1CCN(C)CC1)c2=O ZINC000170722004 530348473 /nfs/dbraw/zinc/34/84/73/530348473.db2.gz VWPAREITVWOZFJ-UHFFFAOYSA-N 0 3 383.250 0.103 20 0 GCADHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000171087692 530349531 /nfs/dbraw/zinc/34/95/31/530349531.db2.gz MZZAZMLTZULHQR-UHFFFAOYSA-N 0 3 388.921 0.955 20 0 GCADHN O=C(CN1CCNCC1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000637963317 530351359 /nfs/dbraw/zinc/35/13/59/530351359.db2.gz LZYRSJMITBFXDQ-UHFFFAOYSA-N 0 3 395.301 0.639 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1CN1CCCC1 ZINC000282269436 530369035 /nfs/dbraw/zinc/36/90/35/530369035.db2.gz UMKHRQRFEUVIPZ-AWEZNQCLSA-N 0 3 387.527 0.844 20 0 GCADHN C[C@@H](CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)CN1CCCCC1 ZINC000280718113 530354060 /nfs/dbraw/zinc/35/40/60/530354060.db2.gz LZFGMKBTOSBDEH-ZDUSSCGKSA-N 0 3 375.516 0.885 20 0 GCADHN CC(C(=O)N(C)[C@@H](C(N)=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000183722831 530374823 /nfs/dbraw/zinc/37/48/23/530374823.db2.gz LQLRUJYTDFZHTH-GZMMTYOYSA-N 0 3 377.260 0.867 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000184511160 530375589 /nfs/dbraw/zinc/37/55/89/530375589.db2.gz YZFSBYRFWNCHKD-GFCCVEGCSA-N 0 3 388.921 0.743 20 0 GCADHN CCOC(=O)c1sc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)cc1C ZINC000282979416 530376177 /nfs/dbraw/zinc/37/61/77/530376177.db2.gz JMEVOTZKTJXJRQ-VIFPVBQESA-N 0 3 389.455 0.579 20 0 GCADHN CN1CCC[C@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000601324600 530377302 /nfs/dbraw/zinc/37/73/02/530377302.db2.gz WWVUERZHRPBPBO-CABCVRRESA-N 0 3 376.523 0.116 20 0 GCADHN CN1CCC[C@@H](CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000601324604 530377655 /nfs/dbraw/zinc/37/76/55/530377655.db2.gz WWVUERZHRPBPBO-LSDHHAIUSA-N 0 3 376.523 0.116 20 0 GCADHN CCCNc1nnc(S(=O)(=O)C(C)C(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000283368786 530379212 /nfs/dbraw/zinc/37/92/12/530379212.db2.gz LYEPTMVIOKGAET-VHSXEESVSA-N 0 3 389.503 0.246 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cscc3Br)CCN2C1=O ZINC000601343104 530379342 /nfs/dbraw/zinc/37/93/42/530379342.db2.gz KVEBBNQKGVIFBO-IONNQARKSA-N 0 3 380.289 0.443 20 0 GCADHN COc1cccc(CS(=O)(=O)C(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000283381217 530379330 /nfs/dbraw/zinc/37/93/30/530379330.db2.gz MUDHWGWCINGNGT-TZMCWYRMSA-N 0 3 389.495 0.644 20 0 GCADHN CC[NH+](CC)CCC[C@@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000042537987 530380594 /nfs/dbraw/zinc/38/05/94/530380594.db2.gz NHADZIJTDAESIE-LLVKDONJSA-N 0 3 389.294 0.926 20 0 GCADHN COC(=O)c1ccsc1N1CC[C@H](NS(=O)(=O)CCCN(C)C)C1=O ZINC000601362833 530381652 /nfs/dbraw/zinc/38/16/52/530381652.db2.gz JRLLRGXFSXDFOJ-LBPRGKRZSA-N 0 3 389.499 0.511 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1F ZINC000497366056 530382790 /nfs/dbraw/zinc/38/27/90/530382790.db2.gz OLQPMIMDECTBDI-GXFFZTMASA-N 0 3 379.479 0.945 20 0 GCADHN COc1ccc(CN(C(=O)C(C)S(C)(=O)=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000497560259 530385166 /nfs/dbraw/zinc/38/51/66/530385166.db2.gz QDLRYLRSZXZQQW-GXTWGEPZSA-N 0 3 389.495 0.644 20 0 GCADHN CS(=O)(=O)NCC1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000285410737 530393990 /nfs/dbraw/zinc/39/39/90/530393990.db2.gz IYMHAICFZBCYIY-UHFFFAOYSA-N 0 3 388.515 0.437 20 0 GCADHN CCS(=O)(=O)N(C)CC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000364245858 530387967 /nfs/dbraw/zinc/38/79/67/530387967.db2.gz SAHJZSSUZKFMAT-HUUCEWRRSA-N 0 3 375.535 0.616 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c(F)cc1Br ZINC000497857078 530393093 /nfs/dbraw/zinc/39/30/93/530393093.db2.gz MDBXDGPMCWECEH-VIFPVBQESA-N 0 3 376.226 0.874 20 0 GCADHN CS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000041423470 530369778 /nfs/dbraw/zinc/36/97/78/530369778.db2.gz UDWDVQJIWMGIPN-AWEZNQCLSA-N 0 3 375.560 0.888 20 0 GCADHN CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c(F)cc1C ZINC000286006644 530398319 /nfs/dbraw/zinc/39/83/19/530398319.db2.gz OAVBWMZHGJQGGD-MRXNPFEDSA-N 0 3 376.450 0.902 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCN2CCC[C@@H]2C1 ZINC000364724364 530400045 /nfs/dbraw/zinc/40/00/45/530400045.db2.gz OJVSRCOCQAWVTG-CQSZACIVSA-N 0 3 387.527 0.796 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000590750815 530401037 /nfs/dbraw/zinc/40/10/37/530401037.db2.gz BXZNBWOTKCHZOF-RYUDHWBXSA-N 0 3 388.408 0.607 20 0 GCADHN COC1CCN(C2(CNS(=O)(=O)N3CCCOCC3)CCCC2)CC1 ZINC000651554008 530403825 /nfs/dbraw/zinc/40/38/25/530403825.db2.gz QEYOFJTYGGHNOI-UHFFFAOYSA-N 0 3 375.535 0.967 20 0 GCADHN CN1CCN(CCCCNC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000590953166 530404557 /nfs/dbraw/zinc/40/45/57/530404557.db2.gz DMDPKFKHVSDADH-UHFFFAOYSA-N 0 3 377.555 0.031 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)N(C)C2CNC2)c(Br)cc1F ZINC000591307544 530407019 /nfs/dbraw/zinc/40/70/19/530407019.db2.gz UXFICLJNCUHVQG-UHFFFAOYSA-N 0 3 388.193 0.744 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)CN3CCNCC3)C2=O)ccc1Br ZINC000638301232 530411469 /nfs/dbraw/zinc/41/14/69/530411469.db2.gz SMOIOFYPRMXNQZ-HNNXBMFYSA-N 0 3 395.301 0.884 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2cccs2)C1 ZINC000592098134 530413700 /nfs/dbraw/zinc/41/37/00/530413700.db2.gz MFUFJKQRNVXJNK-CYBMUJFWSA-N 0 3 375.516 0.644 20 0 GCADHN CN1CCN(C(=O)COc2ccc(I)cc2)[C@H](CN)C1 ZINC000592308926 530415303 /nfs/dbraw/zinc/41/53/03/530415303.db2.gz JPGKQAZGSSOFDR-GFCCVEGCSA-N 0 3 389.237 0.771 20 0 GCADHN CN(C)CCN(C)CCCNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000288242197 530415840 /nfs/dbraw/zinc/41/58/40/530415840.db2.gz ATEWOUVIAZIFKS-UHFFFAOYSA-N 0 3 395.522 0.391 20 0 GCADHN C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000288225993 530415878 /nfs/dbraw/zinc/41/58/78/530415878.db2.gz DZUNQYHUHBIOSQ-QWRGUYRKSA-N 0 3 385.262 0.797 20 0 GCADHN COC(=O)c1c(OC)ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1OC ZINC000592389737 530416381 /nfs/dbraw/zinc/41/63/81/530416381.db2.gz DFGNWVGTALEGKZ-UWVGGRQHSA-N 0 3 376.406 0.469 20 0 GCADHN CC(C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)S(C)(=O)=O ZINC000288299678 530416614 /nfs/dbraw/zinc/41/66/14/530416614.db2.gz NMVMQOWECKAUFH-WDEREUQCSA-N 0 3 380.513 0.451 20 0 GCADHN CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000638325567 530416749 /nfs/dbraw/zinc/41/67/49/530416749.db2.gz IEEDHPXYDIIWQK-IAQYHMDHSA-N 0 3 393.868 0.641 20 0 GCADHN COC(=O)[C@H]1CNCCCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000592491428 530417063 /nfs/dbraw/zinc/41/70/63/530417063.db2.gz JWJQXCGXOOTLIV-CYBMUJFWSA-N 0 3 395.257 0.794 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592118144 530414008 /nfs/dbraw/zinc/41/40/08/530414008.db2.gz QXTNWZLNTMLZGO-IVZWLZJFSA-N 0 3 391.364 0.056 20 0 GCADHN CO[C@H](CN)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000289605901 530426562 /nfs/dbraw/zinc/42/65/62/530426562.db2.gz NZKQSGWGDXHYNL-GFCCVEGCSA-N 0 3 396.296 0.800 20 0 GCADHN CCCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000289419903 530424690 /nfs/dbraw/zinc/42/46/90/530424690.db2.gz CAUAFCMSSPECSB-CYBMUJFWSA-N 0 3 377.532 0.993 20 0 GCADHN CCN1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000290430647 530432938 /nfs/dbraw/zinc/43/29/38/530432938.db2.gz MZHRSHRKOWNHQN-UHFFFAOYSA-N 0 3 388.921 0.372 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000290430873 530433166 /nfs/dbraw/zinc/43/31/66/530433166.db2.gz RDKAWFZZYMFJEM-CQSZACIVSA-N 0 3 376.504 0.123 20 0 GCADHN CC(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(F)cccc1F ZINC000290496129 530433491 /nfs/dbraw/zinc/43/34/91/530433491.db2.gz JYLNQMICOXXIQU-MNOVXSKESA-N 0 3 395.449 0.914 20 0 GCADHN CO[C@H](CN)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000289851850 530428622 /nfs/dbraw/zinc/42/86/22/530428622.db2.gz FWVHPYBHFSWFFJ-GFCCVEGCSA-N 0 3 385.262 0.995 20 0 GCADHN CCN(CCCN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21)S(C)(=O)=O ZINC000289934709 530428894 /nfs/dbraw/zinc/42/88/94/530428894.db2.gz VTXKACYJHBOORV-INIZCTEOSA-N 0 3 389.543 0.973 20 0 GCADHN CO[C@@H](CN)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000289958866 530429032 /nfs/dbraw/zinc/42/90/32/530429032.db2.gz MRQSQIDFMAKRBR-ZDUSSCGKSA-N 0 3 375.516 0.555 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290821306 530436767 /nfs/dbraw/zinc/43/67/67/530436767.db2.gz GUEAFUCMVJOVQF-HNNXBMFYSA-N 0 3 375.466 0.501 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000290911756 530437555 /nfs/dbraw/zinc/43/75/55/530437555.db2.gz WSVNSCSDKQLREH-CYBMUJFWSA-N 0 3 375.878 0.455 20 0 GCADHN CCN(C)CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000290971067 530438045 /nfs/dbraw/zinc/43/80/45/530438045.db2.gz DIHAVSDAMYPNHS-UHFFFAOYSA-N 0 3 378.292 0.795 20 0 GCADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccnc2)C[C@H]1N1CCCC1 ZINC000290600479 530434928 /nfs/dbraw/zinc/43/49/28/530434928.db2.gz DJSTXXFSQVMEEE-HUUCEWRRSA-N 0 3 384.527 0.398 20 0 GCADHN CC(C)(C)n1cc(Br)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000594879044 530442612 /nfs/dbraw/zinc/44/26/12/530442612.db2.gz LQMUXHJIWBBFPM-KOLCDFICSA-N 0 3 384.278 0.785 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3C(F)(F)F)CCN2C1=O ZINC000594875532 530442662 /nfs/dbraw/zinc/44/26/62/530442662.db2.gz IGVFNWDQLHYISH-YPMHNXCESA-N 0 3 377.388 0.779 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)CCN2C1=O ZINC000594879389 530442677 /nfs/dbraw/zinc/44/26/77/530442677.db2.gz NMGDLFUASHFMGC-PWSUYJOCSA-N 0 3 396.241 0.604 20 0 GCADHN COc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(OC)c1Br ZINC000594877582 530442771 /nfs/dbraw/zinc/44/27/71/530442771.db2.gz YWVNLINBRBAIKV-QWRGUYRKSA-N 0 3 398.257 0.850 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)CCN2C1=O ZINC000594879387 530442792 /nfs/dbraw/zinc/44/27/92/530442792.db2.gz NMGDLFUASHFMGC-CMPLNLGQSA-N 0 3 396.241 0.604 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3sc4c(c3Br)CNC4)CCN2C1=O ZINC000594880153 530442810 /nfs/dbraw/zinc/44/28/10/530442810.db2.gz TZGIYMVNEBPNCW-IONNQARKSA-N 0 3 385.287 0.498 20 0 GCADHN COCCCN(C(=O)c1csc(S(N)(=O)=O)c1)C1CCN(C)CC1 ZINC000291800806 530443056 /nfs/dbraw/zinc/44/30/56/530443056.db2.gz BESDSVCTLBXLGC-UHFFFAOYSA-N 0 3 375.516 0.968 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(Cl)s1 ZINC000595275865 530445577 /nfs/dbraw/zinc/44/55/77/530445577.db2.gz CULZQKYCWFPIKZ-AXFHLTTASA-N 0 3 384.889 0.739 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292101650 530444842 /nfs/dbraw/zinc/44/48/42/530444842.db2.gz UMKVCCLOSJUCCT-MRXNPFEDSA-N 0 3 387.527 0.653 20 0 GCADHN CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595240362 530445199 /nfs/dbraw/zinc/44/51/99/530445199.db2.gz IQPHUVQTQROBQL-GHMZBOCLSA-N 0 3 382.873 0.771 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)CCN2C1=O ZINC000595240696 530445360 /nfs/dbraw/zinc/44/53/60/530445360.db2.gz WWQMLIMHIRUZEM-GZMMTYOYSA-N 0 3 389.214 0.841 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)c1ncc(I)cn1 ZINC000596461617 530453696 /nfs/dbraw/zinc/45/36/96/530453696.db2.gz GXBIFJSHPOITQZ-UHFFFAOYSA-N 0 3 377.230 0.537 20 0 GCADHN CC(C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O)S(C)(=O)=O ZINC000293894853 530456141 /nfs/dbraw/zinc/45/61/41/530456141.db2.gz GTLPEDUGTPZSQM-KCJUWKMLSA-N 0 3 375.244 0.714 20 0 GCADHN COc1ccc(C(=O)N[C@H](CO)CN(C)C)cc1I ZINC000597652395 530459038 /nfs/dbraw/zinc/45/90/38/530459038.db2.gz ATRZWSHKQXMWPO-JTQLQIEISA-N 0 3 378.210 0.952 20 0 GCADHN CSC1(CNC(=O)CNS(=O)(=O)c2ccccc2N)CCN(C)CC1 ZINC000597669608 530459466 /nfs/dbraw/zinc/45/94/66/530459466.db2.gz WWEGLBHABPQJMQ-UHFFFAOYSA-N 0 3 386.543 0.491 20 0 GCADHN CN1CCN(C(=O)CCNCc2cnn3cc(Br)cnc23)CC1 ZINC000638553301 530459662 /nfs/dbraw/zinc/45/96/62/530459662.db2.gz SAXUSSMBVNFPRY-UHFFFAOYSA-N 0 3 381.278 0.746 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(S(=O)(=O)CCO)cc2)C1 ZINC000294823585 530460491 /nfs/dbraw/zinc/46/04/91/530460491.db2.gz XUXDCIJOUSJQJO-GOEBONIOSA-N 0 3 375.512 0.898 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3cc4c(cc3Br)OCO4)CCN2C1=O ZINC000598668871 530464755 /nfs/dbraw/zinc/46/47/55/530464755.db2.gz QSRVEVXHKKVFOH-KWQFWETISA-N 0 3 382.214 0.562 20 0 GCADHN O=C(CN1CCNCC1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000638594922 530466407 /nfs/dbraw/zinc/46/64/07/530466407.db2.gz CHONXYGFUYGCLV-AWEZNQCLSA-N 0 3 381.274 0.576 20 0 GCADHN CN(C)CCNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000298330223 530479852 /nfs/dbraw/zinc/47/98/52/530479852.db2.gz SIRANPYWSRWZOK-UHFFFAOYSA-N 0 3 383.392 0.931 20 0 GCADHN CC(C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000298687479 530482604 /nfs/dbraw/zinc/48/26/04/530482604.db2.gz CAXBBTPHLWHSAD-SMDDNHRTSA-N 0 3 387.889 0.444 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)S(C)(=O)=O ZINC000298813301 530483574 /nfs/dbraw/zinc/48/35/74/530483574.db2.gz POPCIPOJVOZYDR-LLVKDONJSA-N 0 3 394.902 0.606 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)CN2CCCC2)cc1 ZINC000298836527 530484161 /nfs/dbraw/zinc/48/41/61/530484161.db2.gz ZBLFIBBOTQVCRY-CYBMUJFWSA-N 0 3 375.516 0.605 20 0 GCADHN CN[C@@H](C)C(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000602585344 530484444 /nfs/dbraw/zinc/48/44/44/530484444.db2.gz FTVMLGWKHRRQEA-VIFPVBQESA-N 0 3 375.214 0.338 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)Cc3csc(CCC(F)(F)F)n3)CCN2C1=O ZINC000602532496 530484478 /nfs/dbraw/zinc/48/44/78/530484478.db2.gz ZKUJWLWTSWLWCV-MNOVXSKESA-N 0 3 376.404 0.951 20 0 GCADHN CCN[C@@H](C)C(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000602586014 530484575 /nfs/dbraw/zinc/48/45/75/530484575.db2.gz NACAQLRFJVHRHS-JTQLQIEISA-N 0 3 389.241 0.728 20 0 GCADHN CC[C@H](N)C(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000602586286 530484595 /nfs/dbraw/zinc/48/45/95/530484595.db2.gz PDNKVCCMSDAMMP-JTQLQIEISA-N 0 3 375.214 0.467 20 0 GCADHN CCOC[C@@H]1CN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)CCO1 ZINC000599450101 530473091 /nfs/dbraw/zinc/47/30/91/530473091.db2.gz MMOLSPBYICDGAW-WDEREUQCSA-N 0 3 377.381 0.938 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000604766115 530498442 /nfs/dbraw/zinc/49/84/42/530498442.db2.gz LAXWHJVPPPPDOS-AWEZNQCLSA-N 0 3 387.527 0.842 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)NCC2CCS(=O)(=O)CC2)CC1 ZINC000535185488 530498833 /nfs/dbraw/zinc/49/88/33/530498833.db2.gz KNWSNTNKNTVLLO-UHFFFAOYSA-N 0 3 375.535 1.000 20 0 GCADHN CC(C)(O)CN1CCC(NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000638774271 530500840 /nfs/dbraw/zinc/50/08/40/530500840.db2.gz ZPEBTPSZOVCSEE-CQSZACIVSA-N 0 3 376.544 0.708 20 0 GCADHN CCN1CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000299253561 530488674 /nfs/dbraw/zinc/48/86/74/530488674.db2.gz FELIQZLTVACMDK-AWEZNQCLSA-N 0 3 388.559 0.559 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000522765007 530488866 /nfs/dbraw/zinc/48/88/66/530488866.db2.gz OLZWKMBUEBLGRI-CABCVRRESA-N 0 3 392.591 0.785 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000522765009 530489068 /nfs/dbraw/zinc/48/90/68/530489068.db2.gz OLZWKMBUEBLGRI-HUUCEWRRSA-N 0 3 392.591 0.785 20 0 GCADHN C[C@@H](CNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)N(C)C ZINC000299289092 530489364 /nfs/dbraw/zinc/48/93/64/530489364.db2.gz PBCSKYFRXPAKSQ-LBPRGKRZSA-N 0 3 375.516 0.512 20 0 GCADHN CCN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000299667295 530492797 /nfs/dbraw/zinc/49/27/97/530492797.db2.gz XKVBUOJPWMEWOO-UHFFFAOYSA-N 0 3 386.543 0.920 20 0 GCADHN [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000563114104 530494157 /nfs/dbraw/zinc/49/41/57/530494157.db2.gz ZIDBCMALYRWZIP-ZIAGYGMSSA-N 0 3 387.527 0.771 20 0 GCADHN CN(C)CCOC1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000604183824 530494384 /nfs/dbraw/zinc/49/43/84/530494384.db2.gz XFUYCFIQYWSZLW-AWEZNQCLSA-N 0 3 376.523 0.163 20 0 GCADHN CN(C)CCOC1CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000604175104 530494484 /nfs/dbraw/zinc/49/44/84/530494484.db2.gz OAAROMILAJXIJX-UHFFFAOYSA-N 0 3 378.539 0.457 20 0 GCADHN COc1ccc(I)c(NC(=O)C(=O)N(C)C2CNC2)c1 ZINC000415733831 530504155 /nfs/dbraw/zinc/50/41/55/530504155.db2.gz IOQDRTMTIGLUCR-UHFFFAOYSA-N 0 3 389.193 0.669 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415859398 530504825 /nfs/dbraw/zinc/50/48/25/530504825.db2.gz GGZRDEILWHOMMG-QMMMGPOBSA-N 0 3 378.173 0.770 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccccc1I ZINC000415866756 530505166 /nfs/dbraw/zinc/50/51/66/530505166.db2.gz OSOJVPVJGYUMDT-SECBINFHSA-N 0 3 389.193 0.334 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415870475 530505203 /nfs/dbraw/zinc/50/52/03/530505203.db2.gz SSBBTJBNIAKKGL-ZETCQYMHSA-N 0 3 378.173 0.770 20 0 GCADHN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415867959 530505312 /nfs/dbraw/zinc/50/53/12/530505312.db2.gz PSDXRRYMUKZYCK-MRVPVSSYSA-N 0 3 390.223 0.823 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCN1C ZINC000525809921 530508070 /nfs/dbraw/zinc/50/80/70/530508070.db2.gz IXGPRKDZAMMPCJ-RBSFLKMASA-N 0 3 376.523 0.257 20 0 GCADHN CN(C)[C@]1(CNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CCSC1 ZINC000531481397 530509138 /nfs/dbraw/zinc/50/91/38/530509138.db2.gz PJYPCTSGGJSSGM-INIZCTEOSA-N 0 3 390.575 0.680 20 0 GCADHN CC(=O)N1CCc2sc(S(=O)(=O)[N-]CCCN3CC[NH2+]CC3)cc2C1 ZINC000658359836 530509656 /nfs/dbraw/zinc/50/96/56/530509656.db2.gz GFQOICPEZJKTCZ-UHFFFAOYSA-N 0 3 386.543 0.226 20 0 GCADHN CN(C)CC(C)(C)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000416511466 530510011 /nfs/dbraw/zinc/51/00/11/530510011.db2.gz XLELGDFQGWKKCX-UHFFFAOYSA-N 0 3 375.516 0.746 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NC(C)(C)CN(C)C)c(C(=O)OC)s1 ZINC000416511542 530510035 /nfs/dbraw/zinc/51/00/35/530510035.db2.gz YACQNHXYWYIPCA-UHFFFAOYSA-N 0 3 378.472 0.940 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc2ncc(Br)cn2n1 ZINC000637407044 530510554 /nfs/dbraw/zinc/51/05/54/530510554.db2.gz PZMSYOHCVXBRSX-UHFFFAOYSA-N 0 3 397.277 0.584 20 0 GCADHN C[NH+](C)Cc1cccc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC000033084701 530502404 /nfs/dbraw/zinc/50/24/04/530502404.db2.gz JHOKDMXMPBCRRL-UHFFFAOYSA-N 0 3 395.257 0.677 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)Cc3ccc(Br)cc3)CCN2C1=O ZINC000518797544 530502765 /nfs/dbraw/zinc/50/27/65/530502765.db2.gz XKMOROKQEVPCSQ-CHWSQXEVSA-N 0 3 388.287 0.523 20 0 GCADHN COC(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CCCNCC1 ZINC000415318017 530502904 /nfs/dbraw/zinc/50/29/04/530502904.db2.gz MLUWFJHMIIRTRL-UHFFFAOYSA-N 0 3 384.230 0.996 20 0 GCADHN CCOC[C@H](C)CS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000416585655 530513446 /nfs/dbraw/zinc/51/34/46/530513446.db2.gz OGJLVCOTEQYKJO-INIZCTEOSA-N 0 3 377.551 0.375 20 0 GCADHN COCCNCCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000416948216 530515508 /nfs/dbraw/zinc/51/55/08/530515508.db2.gz JNXBIUWGNKEMKQ-UHFFFAOYSA-N 0 3 378.882 0.154 20 0 GCADHN Cn1c2cc(Br)c(S(=O)(=O)[N-][C@H]3CC[NH2+]C3)cc2n(C)c1=O ZINC000123159375 530516544 /nfs/dbraw/zinc/51/65/44/530516544.db2.gz BEZDEGBPTSFUJD-QMMMGPOBSA-N 0 3 389.275 0.280 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000112916791 530516784 /nfs/dbraw/zinc/51/67/84/530516784.db2.gz LOAPUKHHDQVRAC-KBPBESRZSA-N 0 3 388.559 0.557 20 0 GCADHN COC(=O)c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000366290254 530518467 /nfs/dbraw/zinc/51/84/67/530518467.db2.gz TXIPBPVVIDOWMB-GDGBQDQQSA-N 0 3 375.244 0.732 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000366315635 530518773 /nfs/dbraw/zinc/51/87/73/530518773.db2.gz RUZNNDUAOKREQV-BXUZGUMPSA-N 0 3 391.490 0.960 20 0 GCADHN CCOCC(C)(C)NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000563275356 530519533 /nfs/dbraw/zinc/51/95/33/530519533.db2.gz BIJSTVFZRYOJHP-HUUCEWRRSA-N 0 3 376.519 0.586 20 0 GCADHN CCS(=O)(=O)N(C)C1CCN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000440320900 530520187 /nfs/dbraw/zinc/52/01/87/530520187.db2.gz OCSHUUOLJICLSN-ZOBUZTSGSA-N 0 3 377.551 0.202 20 0 GCADHN COC(=O)C[C@H]1CSCCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330534669 530521620 /nfs/dbraw/zinc/52/16/20/530521620.db2.gz IZWVOTGCDBXBTE-RYUDHWBXSA-N 0 3 379.500 0.476 20 0 GCADHN COC(=O)C[C@@H]1CSCCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330534670 530521673 /nfs/dbraw/zinc/52/16/73/530521673.db2.gz IZWVOTGCDBXBTE-VXGBXAGGSA-N 0 3 379.500 0.476 20 0 GCADHN CC(C)(C)[C@H](CO)NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000444701776 530547137 /nfs/dbraw/zinc/54/71/37/530547137.db2.gz IDSJFUWUEOBXTK-KKUMJFAQSA-N 0 3 376.519 0.178 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000567871861 530549398 /nfs/dbraw/zinc/54/93/98/530549398.db2.gz UJMLEKYEKMMTPC-PHIMTYICSA-N 0 3 390.868 0.618 20 0 GCADHN CSc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Cl ZINC000563443785 530526454 /nfs/dbraw/zinc/52/64/54/530526454.db2.gz YWLFXAYCFISAKJ-BXKDBHETSA-N 0 3 375.903 0.994 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2ccc(Br)c(F)c2)[C@H](CN)C1 ZINC000563620333 530527152 /nfs/dbraw/zinc/52/71/52/530527152.db2.gz WJHGJIJABPSLII-LLVKDONJSA-N 0 3 387.253 0.306 20 0 GCADHN CSC1(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCN(C)CC1 ZINC000571092038 530527991 /nfs/dbraw/zinc/52/79/91/530527991.db2.gz HWMOZOFQXFMDMY-UHFFFAOYSA-N 0 3 393.556 0.440 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCC(=O)NC(=O)NCC(F)(F)F ZINC000411634774 530529136 /nfs/dbraw/zinc/52/91/36/530529136.db2.gz CPCUOPOICPFYFZ-NXEZZACHSA-N 0 3 388.412 0.215 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)[NH+](C)C)s1 ZINC000468204707 530550202 /nfs/dbraw/zinc/55/02/02/530550202.db2.gz DCRTZPVHEWDFEW-UHFFFAOYSA-N 0 3 390.531 0.119 20 0 GCADHN CC(C)CS(=O)(=O)CCC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000412318962 530529969 /nfs/dbraw/zinc/52/99/69/530529969.db2.gz HEGSLBYHLOVHFL-OAHLLOKOSA-N 0 3 375.535 0.554 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)CCN2C1=O ZINC000566495950 530531250 /nfs/dbraw/zinc/53/12/50/530531250.db2.gz MNRDQCNHVFTENV-GZMMTYOYSA-N 0 3 395.815 0.874 20 0 GCADHN Cc1c(I)cccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566495900 530531352 /nfs/dbraw/zinc/53/13/52/530531352.db2.gz LUIDXJMPPIZICQ-MFKMUULPSA-N 0 3 399.232 0.984 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)CCN2C1=O ZINC000566495078 530531399 /nfs/dbraw/zinc/53/13/99/530531399.db2.gz CMFNLOYDZRFFHR-PRHODGIISA-N 0 3 381.351 0.777 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)[N-]CCCC[N@@H+]1CCC[C@H]1CO ZINC000443291119 530531816 /nfs/dbraw/zinc/53/18/16/530531816.db2.gz REXOSJISBFABNX-NSHDSACASA-N 0 3 377.488 0.445 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)[N-]CCCC[N@H+]1CCC[C@H]1CO ZINC000443291119 530531818 /nfs/dbraw/zinc/53/18/18/530531818.db2.gz REXOSJISBFABNX-NSHDSACASA-N 0 3 377.488 0.445 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)NCCCCN2CCC[C@H]2CO)cc1 ZINC000443286704 530532226 /nfs/dbraw/zinc/53/22/26/530532226.db2.gz ICJKWOLUKVLZHL-AWEZNQCLSA-N 0 3 390.527 0.605 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1F ZINC000443279836 530532244 /nfs/dbraw/zinc/53/22/44/530532244.db2.gz GRUZQJKAMPZTGD-UHFFFAOYSA-N 0 3 394.490 0.212 20 0 GCADHN CC[C@@H](C)[C@H](O)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000566679002 530532849 /nfs/dbraw/zinc/53/28/49/530532849.db2.gz MURQVGXMVCTLKI-ZIAGYGMSSA-N 0 3 392.543 0.707 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000443292366 530532963 /nfs/dbraw/zinc/53/29/63/530532963.db2.gz CNGVNBKNZUJTDF-CQSZACIVSA-N 0 3 389.543 0.899 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000443292366 530532965 /nfs/dbraw/zinc/53/29/65/530532965.db2.gz CNGVNBKNZUJTDF-CQSZACIVSA-N 0 3 389.543 0.899 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)[C@@H](CN)C1 ZINC000566728365 530533211 /nfs/dbraw/zinc/53/32/11/530533211.db2.gz MIOFHMUSWAUXIY-NSHDSACASA-N 0 3 381.889 0.667 20 0 GCADHN C[C@@H]1Cc2cc(S(=O)(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc(Cl)c2O1 ZINC000566807463 530534835 /nfs/dbraw/zinc/53/48/35/530534835.db2.gz CBFUTLKXRYSQSG-OLUVUFQESA-N 0 3 385.873 0.596 20 0 GCADHN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC1(O)CCN(C(C)C)CC1 ZINC000443492035 530535711 /nfs/dbraw/zinc/53/57/11/530535711.db2.gz NSGUNOPKGSTRCT-CQSZACIVSA-N 0 3 377.507 0.084 20 0 GCADHN COC(=O)CCN(C)S(=O)(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000443502708 530536207 /nfs/dbraw/zinc/53/62/07/530536207.db2.gz SOTPNFHJIWFLJB-CABCVRRESA-N 0 3 377.507 0.084 20 0 GCADHN COC(=O)CCN(C)S(=O)(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000443502712 530536391 /nfs/dbraw/zinc/53/63/91/530536391.db2.gz SOTPNFHJIWFLJB-GJZGRUSLSA-N 0 3 377.507 0.084 20 0 GCADHN C[NH2+]CCC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000567048242 530537060 /nfs/dbraw/zinc/53/70/60/530537060.db2.gz VPBIGZJSGLVOPZ-UHFFFAOYSA-N 0 3 385.305 0.740 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000443750979 530537927 /nfs/dbraw/zinc/53/79/27/530537927.db2.gz RUOSOSCCFSYHGB-MRVPVSSYSA-N 0 3 380.189 0.705 20 0 GCADHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000331114510 530538312 /nfs/dbraw/zinc/53/83/12/530538312.db2.gz UYTRDXVEOQXFCR-UHFFFAOYSA-N 0 3 375.516 0.980 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)N2CCC(OCCN(C)C)CC2)c1 ZINC000331138026 530539205 /nfs/dbraw/zinc/53/92/05/530539205.db2.gz VZZGHYCEUSGITH-UHFFFAOYSA-N 0 3 375.516 0.839 20 0 GCADHN CCN1CCC[C@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000444027607 530540137 /nfs/dbraw/zinc/54/01/37/530540137.db2.gz FLYFNSCTZXUQPG-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCc3cccc(Br)c3)CCN2C1=O ZINC000567293055 530540691 /nfs/dbraw/zinc/54/06/91/530540691.db2.gz IQHAJCUEHXRJEH-ZIAGYGMSSA-N 0 3 381.274 0.945 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCc3cccc(Br)c3)CCN2C1=O ZINC000567293054 530540826 /nfs/dbraw/zinc/54/08/26/530540826.db2.gz IQHAJCUEHXRJEH-UONOGXRCSA-N 0 3 381.274 0.945 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)C1(C)C ZINC000444130812 530542518 /nfs/dbraw/zinc/54/25/18/530542518.db2.gz MUBWLFFIYNWYGQ-YOEHRIQHSA-N 0 3 375.535 0.791 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000331211887 530542541 /nfs/dbraw/zinc/54/25/41/530542541.db2.gz ZHHPIQDFTPXYNN-OWCLPIDISA-N 0 3 375.535 0.758 20 0 GCADHN CCN(CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(C)C ZINC000444176182 530542888 /nfs/dbraw/zinc/54/28/88/530542888.db2.gz NUHXUMFMFRFFMX-UHFFFAOYSA-N 0 3 377.532 0.946 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCN(CC)C(C)C ZINC000444170510 530543142 /nfs/dbraw/zinc/54/31/42/530543142.db2.gz RZKZBUHXJLNUIF-UHFFFAOYSA-N 0 3 377.532 0.993 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000446479414 530552768 /nfs/dbraw/zinc/55/27/68/530552768.db2.gz GRHNLIJKAHHJGE-LLVKDONJSA-N 0 3 395.257 0.975 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000446454764 530553009 /nfs/dbraw/zinc/55/30/09/530553009.db2.gz IJOZFKBWVZTVFD-GFCCVEGCSA-N 0 3 384.274 0.915 20 0 GCADHN CC1CCN(C[C@H](O)CNC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000446563207 530553507 /nfs/dbraw/zinc/55/35/07/530553507.db2.gz FPHJMWGNOSBQCI-CYBMUJFWSA-N 0 3 399.289 0.992 20 0 GCADHN CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000446563208 530553580 /nfs/dbraw/zinc/55/35/80/530553580.db2.gz FPHJMWGNOSBQCI-ZDUSSCGKSA-N 0 3 399.289 0.992 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000446730778 530554708 /nfs/dbraw/zinc/55/47/08/530554708.db2.gz ZVKSLWCATPGUDU-NEPJUHHUSA-N 0 3 394.540 0.790 20 0 GCADHN CO[C@]1(C)C[C@@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1(C)C ZINC000451497970 530583089 /nfs/dbraw/zinc/58/30/89/530583089.db2.gz WJUPBRPPTKXTIG-RHSMWYFYSA-N 0 3 377.551 0.956 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3Br)CCN2C1=O ZINC000568283132 530557757 /nfs/dbraw/zinc/55/77/57/530557757.db2.gz FHLBYQHHDGOYSA-KOLCDFICSA-N 0 3 399.220 0.297 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)s3)CCN2C1=O ZINC000568268094 530557776 /nfs/dbraw/zinc/55/77/76/530557776.db2.gz RHZRCRCPEIMAFT-HTQZYQBOSA-N 0 3 380.289 0.443 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c(OC)c1 ZINC000447245829 530559490 /nfs/dbraw/zinc/55/94/90/530559490.db2.gz GDYDIUODTUPHNP-JQWIXIFHSA-N 0 3 377.488 0.425 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1F ZINC000447245176 530559582 /nfs/dbraw/zinc/55/95/82/530559582.db2.gz LNNUVUQQSJTXTI-GXFFZTMASA-N 0 3 379.479 0.944 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(OC)c1 ZINC000447248155 530560055 /nfs/dbraw/zinc/56/00/55/530560055.db2.gz SSTFWGPFFZNNSD-RYUDHWBXSA-N 0 3 391.515 0.815 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000447250201 530560139 /nfs/dbraw/zinc/56/01/39/530560139.db2.gz VSOHUCHQYALADU-GHMZBOCLSA-N 0 3 379.479 0.945 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(OC)c1 ZINC000563800550 530561134 /nfs/dbraw/zinc/56/11/34/530561134.db2.gz VYMALYZYQKKLHF-YPMHNXCESA-N 0 3 389.499 0.439 20 0 GCADHN CN1CCN(S(=O)(=O)c2cccc(I)c2)[C@@H](CN)C1 ZINC000568633621 530562171 /nfs/dbraw/zinc/56/21/71/530562171.db2.gz JWBQBUOIQOOJOH-NSHDSACASA-N 0 3 395.266 0.555 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCc2cccc(Br)c2)[C@H](CN)C1 ZINC000568731866 530562811 /nfs/dbraw/zinc/56/28/11/530562811.db2.gz JQTXVOMUOAVFTE-CQSZACIVSA-N 0 3 383.290 0.209 20 0 GCADHN COCCNc1nc(NC[C@@H]2CCSC2)nc(NC[C@@H]2CCSC2)n1 ZINC000447816956 530563018 /nfs/dbraw/zinc/56/30/18/530563018.db2.gz LTITVSWSWPRQED-STQMWFEESA-N 0 3 384.575 0.526 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000447779358 530563367 /nfs/dbraw/zinc/56/33/67/530563367.db2.gz SPMFVSVEZFZHEX-INMHGKMJSA-N 0 3 375.535 0.479 20 0 GCADHN CC(C)CN1CCCC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447771032 530563419 /nfs/dbraw/zinc/56/34/19/530563419.db2.gz BWOFVWWOKQJTLN-HNNXBMFYSA-N 0 3 383.580 0.698 20 0 GCADHN O=S(=O)(CCNCC1(O)CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000568871086 530563832 /nfs/dbraw/zinc/56/38/32/530563832.db2.gz MAQLZFYAYQHABV-UHFFFAOYSA-N 0 3 381.903 0.643 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCCC[C@@H]1C[C@@H](C)O)S(C)(=O)=O ZINC000447829512 530563892 /nfs/dbraw/zinc/56/38/92/530563892.db2.gz GQZLRJWAMIRRKY-HZPDHXFCSA-N 0 3 377.551 0.788 20 0 GCADHN CN(C)S(=O)(=O)CCNC[C@H](O)COc1ccc(Br)cc1 ZINC000405384726 530564349 /nfs/dbraw/zinc/56/43/49/530564349.db2.gz MAKIAQSTZZONAI-LBPRGKRZSA-N 0 3 381.292 0.670 20 0 GCADHN CCN(C(=O)[C@@H](C)NCC(CC)(CC)C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000447891411 530564376 /nfs/dbraw/zinc/56/43/76/530564376.db2.gz QFJKXBQLQLWWGD-KGLIPLIRSA-N 0 3 376.519 0.980 20 0 GCADHN CN(C)S(=O)(=O)CCNC[C@@H](O)COc1ccc(Br)cc1 ZINC000405384725 530564367 /nfs/dbraw/zinc/56/43/67/530564367.db2.gz MAKIAQSTZZONAI-GFCCVEGCSA-N 0 3 381.292 0.670 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3cc4c(c(Br)c3)OCO4)CCN2C1=O ZINC000568901723 530564404 /nfs/dbraw/zinc/56/44/04/530564404.db2.gz GYSQRJJXKMNUPF-ONGXEEELSA-N 0 3 382.214 0.562 20 0 GCADHN C[NH2+]CCN(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000568985447 530565084 /nfs/dbraw/zinc/56/50/84/530565084.db2.gz DXICYEIVPRSYSB-ZDUSSCGKSA-N 0 3 377.507 0.904 20 0 GCADHN C[C@H](C[C@H](C)O)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000568983467 530565240 /nfs/dbraw/zinc/56/52/40/530565240.db2.gz KCMOUULZMREIRO-OLZOCXBDSA-N 0 3 378.516 0.460 20 0 GCADHN C[NH2+]CCN(C)C(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000568985444 530565359 /nfs/dbraw/zinc/56/53/59/530565359.db2.gz DXICYEIVPRSYSB-CYBMUJFWSA-N 0 3 377.507 0.904 20 0 GCADHN C[C@@H](O)C[C@@H](C)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000568983466 530565387 /nfs/dbraw/zinc/56/53/87/530565387.db2.gz KCMOUULZMREIRO-CHWSQXEVSA-N 0 3 378.516 0.460 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3Br)CCN2C1=O ZINC000569003013 530565645 /nfs/dbraw/zinc/56/56/45/530565645.db2.gz LOIIXRCQYGSQJH-ONGXEEELSA-N 0 3 399.220 0.297 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCc3nc(C(F)(F)F)cs3)CCN2C1=O ZINC000569003377 530565915 /nfs/dbraw/zinc/56/59/15/530565915.db2.gz NEBDVEMILZOKMF-BDAKNGLRSA-N 0 3 377.392 0.658 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)[C@@H](CN)C1 ZINC000569086985 530566568 /nfs/dbraw/zinc/56/65/68/530566568.db2.gz MJUAPOSGPMCUSH-JOYOIKCWSA-N 0 3 387.267 0.644 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000449444209 530566951 /nfs/dbraw/zinc/56/69/51/530566951.db2.gz ZCLHHOUCXTUZQU-NSHDSACASA-N 0 3 393.893 0.630 20 0 GCADHN Cc1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1I ZINC000580347455 530568634 /nfs/dbraw/zinc/56/86/34/530568634.db2.gz XKBFVBMTYDOXDL-CMPLNLGQSA-N 0 3 399.232 0.984 20 0 GCADHN C[C@@H](O)CCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000572602481 530569583 /nfs/dbraw/zinc/56/95/83/530569583.db2.gz RXQPEQGQLMNDRV-CYBMUJFWSA-N 0 3 378.516 0.461 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3c(F)cccc3Br)CCN2C1=O ZINC000569259683 530569640 /nfs/dbraw/zinc/56/96/40/530569640.db2.gz IPOXOXDEBGLLKA-LDYMZIIASA-N 0 3 399.220 0.297 20 0 GCADHN Nc1ncc(Cl)cc1S(=O)(=O)NCC(=O)NCCN1CCCCCC1 ZINC000569301078 530569676 /nfs/dbraw/zinc/56/96/76/530569676.db2.gz SCWVCAOEJSKKAP-UHFFFAOYSA-N 0 3 389.909 0.588 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000451212470 530574482 /nfs/dbraw/zinc/57/44/82/530574482.db2.gz PNKBINKUSWNGTO-MNOVXSKESA-N 0 3 390.380 0.037 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C(N)=O)c3)C[C@@H]2C1 ZINC000367034163 530574740 /nfs/dbraw/zinc/57/47/40/530574740.db2.gz ADVYIWQDGBARPQ-PHIMTYICSA-N 0 3 388.287 0.730 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000451191768 530574776 /nfs/dbraw/zinc/57/47/76/530574776.db2.gz NNXPPFQNXYMUON-IVZWLZJFSA-N 0 3 397.437 0.954 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000451212469 530574814 /nfs/dbraw/zinc/57/48/14/530574814.db2.gz PNKBINKUSWNGTO-GHMZBOCLSA-N 0 3 390.380 0.037 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@@H]1C(=O)OC ZINC000451268634 530576272 /nfs/dbraw/zinc/57/62/72/530576272.db2.gz MTYBETNNQNTHLA-RKDXNWHRSA-N 0 3 377.337 0.074 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@H](CC(=O)OC)C1 ZINC000451282666 530576380 /nfs/dbraw/zinc/57/63/80/530576380.db2.gz CWVWGSUYPLQESO-ZJUUUORDSA-N 0 3 391.364 0.464 20 0 GCADHN CCOC(=O)CC(C)(C)CCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000573229871 530576987 /nfs/dbraw/zinc/57/69/87/530576987.db2.gz IAIRTUGWUUAHGH-LSDHHAIUSA-N 0 3 376.519 0.443 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CCNC(=O)C(C)C ZINC000451369537 530578477 /nfs/dbraw/zinc/57/84/77/530578477.db2.gz NXWCXIYMYNCTNT-JTQLQIEISA-N 0 3 376.397 0.904 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1CC(C)=O ZINC000451389074 530579273 /nfs/dbraw/zinc/57/92/73/530579273.db2.gz PIYCXDCGMLEWCQ-MNOVXSKESA-N 0 3 375.365 0.880 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000451450694 530580617 /nfs/dbraw/zinc/58/06/17/530580617.db2.gz ZDRIPHQVSLGTAM-UXCLJVHYSA-N 0 3 386.392 0.786 20 0 GCADHN CS(=O)(=O)N1CCC(CNCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000582176497 530580638 /nfs/dbraw/zinc/58/06/38/530580638.db2.gz XCUOXHPFNQAETQ-UHFFFAOYSA-N 0 3 378.491 0.861 20 0 GCADHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1(C)C ZINC000451506486 530582785 /nfs/dbraw/zinc/58/27/85/530582785.db2.gz VTBNRCSRUAZVAE-VNQPRFMTSA-N 0 3 377.551 0.812 20 0 GCADHN CO[C@@]1(C)C[C@@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1(C)C ZINC000451497968 530582814 /nfs/dbraw/zinc/58/28/14/530582814.db2.gz WJUPBRPPTKXTIG-PBHICJAKSA-N 0 3 377.551 0.956 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCCc1cn[nH]c1 ZINC000574312838 530589845 /nfs/dbraw/zinc/58/98/45/530589845.db2.gz NUQXENLCDBUIBI-UHFFFAOYSA-N 0 3 386.499 0.266 20 0 GCADHN CC[C@@H](C)N1CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000451842678 530590913 /nfs/dbraw/zinc/59/09/13/530590913.db2.gz MYUWHYMNDWFAEN-MRXNPFEDSA-N 0 3 376.567 0.579 20 0 GCADHN O=S(=O)(CCNCCN1CC[C@@H](O)C1)c1cccc(Br)c1 ZINC000629606173 530590953 /nfs/dbraw/zinc/59/09/53/530590953.db2.gz DJGVKOVFJHAPCR-CYBMUJFWSA-N 0 3 377.304 0.879 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ncc(Br)cn1 ZINC000574771911 530594667 /nfs/dbraw/zinc/59/46/67/530594667.db2.gz XXAXRFZEHFJKBD-LSJOCFKGSA-N 0 3 383.250 0.254 20 0 GCADHN COCC[NH2+]CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000417921726 530595196 /nfs/dbraw/zinc/59/51/96/530595196.db2.gz DJGJNHKXWJCVNU-UHFFFAOYSA-N 0 3 384.911 0.215 20 0 GCADHN C[C@@H]1CN(CCN(C)CCOc2ccc(S(N)(=O)=O)cc2F)CCO1 ZINC000451984365 530595510 /nfs/dbraw/zinc/59/55/10/530595510.db2.gz IYRFDOGHZAUIOK-CYBMUJFWSA-N 0 3 375.466 0.504 20 0 GCADHN C[C@@H](CN1CCOCC1)N(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451995131 530595626 /nfs/dbraw/zinc/59/56/26/530595626.db2.gz XNHMSCZLDLDGLJ-ZDUSSCGKSA-N 0 3 375.466 0.504 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NCC[C@@H]1CC[NH2+]C1 ZINC000417925348 530596084 /nfs/dbraw/zinc/59/60/84/530596084.db2.gz JQZQJSBNTLFJSP-JTQLQIEISA-N 0 3 380.923 0.979 20 0 GCADHN C[C@H](C[NH3+])C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000575058494 530596724 /nfs/dbraw/zinc/59/67/24/530596724.db2.gz DYYGGYVSIUVLQE-MRVPVSSYSA-N 0 3 385.305 0.726 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC[C@H](O)COCc1ccc(Cl)cc1 ZINC000519698426 530598805 /nfs/dbraw/zinc/59/88/05/530598805.db2.gz GSIFFGWIMROMGY-HNNXBMFYSA-N 0 3 379.910 0.640 20 0 GCADHN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)[C@@H](C)CN1 ZINC000519813129 530600858 /nfs/dbraw/zinc/60/08/58/530600858.db2.gz GWNWBNLAVQDLMN-MNOVXSKESA-N 0 3 376.429 0.635 20 0 GCADHN CO[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000575862898 530602128 /nfs/dbraw/zinc/60/21/28/530602128.db2.gz WKHGQJOYTNDJQI-UONOGXRCSA-N 0 3 390.527 0.868 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452347418 530602997 /nfs/dbraw/zinc/60/29/97/530602997.db2.gz ISNFCVYTBJQRPY-NSHDSACASA-N 0 3 395.934 0.643 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452347418 530602999 /nfs/dbraw/zinc/60/29/99/530602999.db2.gz ISNFCVYTBJQRPY-NSHDSACASA-N 0 3 395.934 0.643 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000452351599 530603212 /nfs/dbraw/zinc/60/32/12/530603212.db2.gz QHFMCVUJZCGIMF-GPANFISMSA-N 0 3 375.535 0.448 20 0 GCADHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000520193528 530605500 /nfs/dbraw/zinc/60/55/00/530605500.db2.gz UGYXKMMMPJLOPO-CYBMUJFWSA-N 0 3 377.532 0.946 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000576135103 530605876 /nfs/dbraw/zinc/60/58/76/530605876.db2.gz HCFXEBDJJAVJDO-KBPBESRZSA-N 0 3 397.273 0.620 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@H]2CCS(=O)(=O)[C@H]2C)CC1 ZINC000329151408 530607412 /nfs/dbraw/zinc/60/74/12/530607412.db2.gz AXAYMWBSSQIZTK-JSGCOSHPSA-N 0 3 390.531 0.345 20 0 GCADHN Cc1cc(Br)ccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576411821 530608340 /nfs/dbraw/zinc/60/83/40/530608340.db2.gz UMUABPKZXRNZAW-NEPJUHHUSA-N 0 3 388.287 0.690 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)sc1Br ZINC000576480231 530609239 /nfs/dbraw/zinc/60/92/39/530609239.db2.gz LEBRFCBNERSOFP-RKDXNWHRSA-N 0 3 394.316 0.752 20 0 GCADHN COc1cc(Cl)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Cl ZINC000576718630 530611408 /nfs/dbraw/zinc/61/14/08/530611408.db2.gz GAROTYIDWCLUMX-LDYMZIIASA-N 0 3 394.280 0.935 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000576769425 530612390 /nfs/dbraw/zinc/61/23/90/530612390.db2.gz QOZANBMCGLJJQA-KOLCDFICSA-N 0 3 399.220 0.297 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000576769426 530612401 /nfs/dbraw/zinc/61/24/01/530612401.db2.gz QOZANBMCGLJJQA-MWLCHTKSSA-N 0 3 399.220 0.297 20 0 GCADHN Cc1ncsc1CCS(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000576943914 530613690 /nfs/dbraw/zinc/61/36/90/530613690.db2.gz MOXRKJXUNBOAMP-GFCCVEGCSA-N 0 3 386.465 0.750 20 0 GCADHN CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000455424070 530613866 /nfs/dbraw/zinc/61/38/66/530613866.db2.gz CBPFBROOIKRQEJ-HNNXBMFYSA-N 0 3 377.555 0.631 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)cc3F)CCN2C1=O ZINC000576957495 530614332 /nfs/dbraw/zinc/61/43/32/530614332.db2.gz ODIYEZLCKDIJKN-ONGXEEELSA-N 0 3 392.250 0.521 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(CCO)[C@@H]1CCCSC1 ZINC000451563008 530584693 /nfs/dbraw/zinc/58/46/93/530584693.db2.gz JDCRUEUMZWWNBJ-OAHLLOKOSA-N 0 3 390.575 0.940 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)s1 ZINC000573960633 530585456 /nfs/dbraw/zinc/58/54/56/530585456.db2.gz CMFXOLBSPJEBAM-LBPRGKRZSA-N 0 3 383.499 0.707 20 0 GCADHN CN(C)[C@H]1CN(C(=O)COc2ccc(I)cc2)C[C@@H]1O ZINC000519012028 530585862 /nfs/dbraw/zinc/58/58/62/530585862.db2.gz LCOKIXNGZWBQRY-STQMWFEESA-N 0 3 390.221 0.803 20 0 GCADHN O=C(NCCOc1cccc(Cl)c1Cl)C(=O)NC[C@H]1CNCCO1 ZINC000574025271 530586161 /nfs/dbraw/zinc/58/61/61/530586161.db2.gz MIUMFTLTTYRWBA-SNVBAGLBSA-N 0 3 376.240 0.593 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCCNS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000574071930 530586871 /nfs/dbraw/zinc/58/68/71/530586871.db2.gz OHRMDRFJNIVVPA-HZSPNIEDSA-N 0 3 377.532 0.086 20 0 GCADHN CC(C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000329899268 530622903 /nfs/dbraw/zinc/62/29/03/530622903.db2.gz MVKQNANQERVQPP-QLFBSQMISA-N 0 3 376.519 0.536 20 0 GCADHN CC(C)(C)N1CCC(NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330037735 530624457 /nfs/dbraw/zinc/62/44/57/530624457.db2.gz DMSSQCRCGPNAMU-UHFFFAOYSA-N 0 3 395.591 0.840 20 0 GCADHN CC(C)[C@H](CNC(=O)NC[C@]1(O)CCS(=O)(=O)C1)N1CCC(C)CC1 ZINC000457672351 530624937 /nfs/dbraw/zinc/62/49/37/530624937.db2.gz BZZUBJQLQZBAFR-DOTOQJQBSA-N 0 3 375.535 0.592 20 0 GCADHN CN(C(=O)NC[C@H]1CNCCN1C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000577832726 530624980 /nfs/dbraw/zinc/62/49/80/530624980.db2.gz DHPZFIWIMCFIPZ-OCCSQVGLSA-N 0 3 386.905 0.713 20 0 GCADHN CCCCN(C(=O)CN[C@@]1(CCOC)CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000577820988 530625164 /nfs/dbraw/zinc/62/51/64/530625164.db2.gz YEDYLPDGGRLSOE-RDJZCZTQSA-N 0 3 376.519 0.587 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC1 ZINC000457718490 530625493 /nfs/dbraw/zinc/62/54/93/530625493.db2.gz VUYBKRKZPCBSMY-KBPBESRZSA-N 0 3 375.539 0.477 20 0 GCADHN COC(=O)Cn1cc(S(=O)(=O)NCC2(SC)CCN(C)CC2)cn1 ZINC000577905227 530625809 /nfs/dbraw/zinc/62/58/09/530625809.db2.gz OHRQEIITZPTOCL-UHFFFAOYSA-N 0 3 376.504 0.162 20 0 GCADHN CCN1CC[C@@H](N(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000330159239 530627802 /nfs/dbraw/zinc/62/78/02/530627802.db2.gz QKECPKGROVLPRW-GOEBONIOSA-N 0 3 395.591 0.650 20 0 GCADHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330147487 530628035 /nfs/dbraw/zinc/62/80/35/530628035.db2.gz LTOXTBQZJNGMLR-INIZCTEOSA-N 0 3 395.591 0.794 20 0 GCADHN CCN1CC[C@H](N(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000330159241 530628063 /nfs/dbraw/zinc/62/80/63/530628063.db2.gz QKECPKGROVLPRW-ZBFHGGJFSA-N 0 3 395.591 0.650 20 0 GCADHN CN(CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C1CCCC1 ZINC000330167255 530628374 /nfs/dbraw/zinc/62/83/74/530628374.db2.gz VQOFJFBSWQJSPS-UHFFFAOYSA-N 0 3 381.564 0.452 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)C3CN(C(=O)c4cccc(Cl)c4)C3)C[C@@H]2C1 ZINC000330185532 530628989 /nfs/dbraw/zinc/62/89/89/530628989.db2.gz RJLLNBFHILLBLI-OKILXGFUSA-N 0 3 383.901 0.988 20 0 GCADHN O=C(CCNS(=O)(=O)c1ccccc1Cl)NCCN1CC[C@H](O)C1 ZINC000629910788 530629526 /nfs/dbraw/zinc/62/95/26/530629526.db2.gz GOPLEYIMDLGYQZ-LBPRGKRZSA-N 0 3 375.878 0.191 20 0 GCADHN CC[C@H]1CCCN(C(C)(C)CNC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC000458382264 530630914 /nfs/dbraw/zinc/63/09/14/530630914.db2.gz QXWSQMMDBJOOIO-YOEHRIQHSA-N 0 3 375.535 0.736 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000458363619 530630919 /nfs/dbraw/zinc/63/09/19/530630919.db2.gz RUPVZPXDMBZJAY-ZDUSSCGKSA-N 0 3 378.539 0.503 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccs1)NC[C@@H]1CCCN1CCCO ZINC000458589079 530632185 /nfs/dbraw/zinc/63/21/85/530632185.db2.gz TWBMCJIQXIZXOE-ZDUSSCGKSA-N 0 3 390.531 0.172 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)NCCn1cc(Br)ccc1=O ZINC000458928824 530634505 /nfs/dbraw/zinc/63/45/05/530634505.db2.gz SAPCCMPBMPNIRJ-AWEZNQCLSA-N 0 3 375.267 0.223 20 0 GCADHN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578027151 530635421 /nfs/dbraw/zinc/63/54/21/530635421.db2.gz PZTHUOFPQMUVID-HZMBPMFUSA-N 0 3 390.868 0.400 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000331810973 530636847 /nfs/dbraw/zinc/63/68/47/530636847.db2.gz MGMJGCFZDDXVGX-IINYFYTJSA-N 0 3 377.463 0.570 20 0 GCADHN CCN1C[C@H](C)N(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H](C)C1 ZINC000459451163 530636991 /nfs/dbraw/zinc/63/69/91/530636991.db2.gz AVIABJXXHNVAKQ-HOTGVXAUSA-N 0 3 376.567 0.577 20 0 GCADHN CCO[C@@H]1C[C@@H]([NH2+]CC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)[C@@H]1SC ZINC000459488201 530637211 /nfs/dbraw/zinc/63/72/11/530637211.db2.gz YZXLFGCSFUCDJP-MXWKQRLJSA-N 0 3 381.545 0.934 20 0 GCADHN CS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC000331853065 530637528 /nfs/dbraw/zinc/63/75/28/530637528.db2.gz OWSBUINBAAIYPA-UHFFFAOYSA-N 0 3 385.511 0.532 20 0 GCADHN CO[C@@H]1C[C@@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C12CCC2 ZINC000459752353 530638537 /nfs/dbraw/zinc/63/85/37/530638537.db2.gz ILCVLVLEJCRQCY-HUUCEWRRSA-N 0 3 375.535 0.710 20 0 GCADHN CCc1[nH]nc(C(=O)N2CCN(CCn3cncn3)CC2)c1Br ZINC000331974706 530639114 /nfs/dbraw/zinc/63/91/14/530639114.db2.gz RWTPSQILJLPMEC-UHFFFAOYSA-N 0 3 382.266 0.784 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1C ZINC000332256206 530642961 /nfs/dbraw/zinc/64/29/61/530642961.db2.gz CQAKLHWVKCVVQD-CABCVRRESA-N 0 3 387.527 0.808 20 0 GCADHN O=S(=O)(Cc1ccon1)NCCNC[C@@H](O)COc1ccc(Cl)cc1 ZINC000580640891 530616886 /nfs/dbraw/zinc/61/68/86/530616886.db2.gz HKWMZHRGEDAHGB-CQSZACIVSA-N 0 3 389.861 0.777 20 0 GCADHN O=S1(=O)C[C@H](NC2CCN(CC(F)(F)F)CC2)[C@H](N2CCOCC2)C1 ZINC000329707360 530619360 /nfs/dbraw/zinc/61/93/60/530619360.db2.gz LOCNLPPMJMEVBN-UONOGXRCSA-N 0 3 385.452 0.101 20 0 GCADHN CC(C)O[C@H]1C[C@H](NCC(=O)NC2CCN(S(C)(=O)=O)CC2)C1(C)C ZINC000639662543 530680091 /nfs/dbraw/zinc/68/00/91/530680091.db2.gz LQQTVGDYBQPYRP-GJZGRUSLSA-N 0 3 375.535 0.708 20 0 GCADHN CN(C)CCN1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000468426153 530680429 /nfs/dbraw/zinc/68/04/29/530680429.db2.gz CRVLFJYGMULPTN-UHFFFAOYSA-N 0 3 388.559 0.977 20 0 GCADHN Cn1ncc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(Br)c1=O ZINC000301985763 530681101 /nfs/dbraw/zinc/68/11/01/530681101.db2.gz ZAVLETQCBVBIRA-LLVKDONJSA-N 0 3 384.278 0.461 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C[C@@H]1N1CCCC1 ZINC000332371071 530645168 /nfs/dbraw/zinc/64/51/68/530645168.db2.gz DAMQHHVMJDZCQN-MJBXVCDLSA-N 0 3 377.576 0.989 20 0 GCADHN CN(CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)[C@H](CN)C1CC1 ZINC000461898903 530646202 /nfs/dbraw/zinc/64/62/02/530646202.db2.gz IMIVCOBPVDTXQG-GOEBONIOSA-N 0 3 385.555 0.933 20 0 GCADHN CN(CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)[C@@H](CN)C1CC1 ZINC000461899263 530646487 /nfs/dbraw/zinc/64/64/87/530646487.db2.gz IMIVCOBPVDTXQG-ZBFHGGJFSA-N 0 3 385.555 0.933 20 0 GCADHN CCN(C)CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl ZINC000066958738 530646990 /nfs/dbraw/zinc/64/69/90/530646990.db2.gz VQBZXDZPVQSBIC-UHFFFAOYSA-N 0 3 377.894 0.946 20 0 GCADHN CCS(=O)(=O)N1CC(CN[C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000332509726 530647358 /nfs/dbraw/zinc/64/73/58/530647358.db2.gz YXTCXVYIYXDQFE-LBPRGKRZSA-N 0 3 375.516 0.527 20 0 GCADHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C ZINC000349481765 530650183 /nfs/dbraw/zinc/65/01/83/530650183.db2.gz PBBVJNMWJHFJHP-HUUCEWRRSA-N 0 3 395.591 0.983 20 0 GCADHN N[C@H](CC(F)F)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000498205886 530652516 /nfs/dbraw/zinc/65/25/16/530652516.db2.gz XPMKDNWTUDNIAL-LLVKDONJSA-N 0 3 383.367 0.780 20 0 GCADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](N)CC(F)F)CC1 ZINC000498206876 530653232 /nfs/dbraw/zinc/65/32/32/530653232.db2.gz PPTPVTODEXMZJE-LLVKDONJSA-N 0 3 376.429 0.226 20 0 GCADHN CN(CCF)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349496887 530657598 /nfs/dbraw/zinc/65/75/98/530657598.db2.gz HSKJIUYZOBDPOX-UHFFFAOYSA-N 0 3 394.494 0.289 20 0 GCADHN C[C@@H](O)CN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC000639477405 530657983 /nfs/dbraw/zinc/65/79/83/530657983.db2.gz VWQCHIIVUIKWGA-CQSZACIVSA-N 0 3 375.535 0.542 20 0 GCADHN CC(C)S(=O)(=O)N1CCC(NC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000333381918 530658711 /nfs/dbraw/zinc/65/87/11/530658711.db2.gz XQQLXMIULPXRGX-MRXNPFEDSA-N 0 3 392.591 0.926 20 0 GCADHN O=S(=O)(NC[C@@H]1CNCCO1)c1cc2c(cc1Br)OCCO2 ZINC000333833059 530663258 /nfs/dbraw/zinc/66/32/58/530663258.db2.gz JSJKYYQEHRBXIH-VIFPVBQESA-N 0 3 393.259 0.487 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617768189 530664255 /nfs/dbraw/zinc/66/42/55/530664255.db2.gz SRXWDIDWTOLREX-ZDUSSCGKSA-N 0 3 376.548 0.415 20 0 GCADHN C[C@H](CNC(=O)NCc1ccc(S(N)(=O)=O)s1)CN1CCN(C)CC1 ZINC000465480834 530666487 /nfs/dbraw/zinc/66/64/87/530666487.db2.gz UAMPHXRNOVNCTR-GFCCVEGCSA-N 0 3 389.547 0.078 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465676801 530667220 /nfs/dbraw/zinc/66/72/20/530667220.db2.gz BACVUVJEJQCYDT-HNNXBMFYSA-N 0 3 378.539 0.410 20 0 GCADHN COCCCN(C)CCNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000466076229 530668591 /nfs/dbraw/zinc/66/85/91/530668591.db2.gz OBBVLTHEKWAAOC-HNNXBMFYSA-N 0 3 378.539 0.458 20 0 GCADHN CC(C)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349535715 530678718 /nfs/dbraw/zinc/67/87/18/530678718.db2.gz KBIPRMIRPJEMFJ-UHFFFAOYSA-N 0 3 390.531 0.728 20 0 GCADHN CN(C)CCN(C(=O)NCCS(=O)(=O)N1CCSCC1)C1CCCC1 ZINC000468299189 530678980 /nfs/dbraw/zinc/67/89/80/530678980.db2.gz FUKCBOQSTILIMD-UHFFFAOYSA-N 0 3 392.591 0.881 20 0 GCADHN CCCCN(C(=O)CN1CC[C@H](OC)C[C@H]1CN)[C@@H]1CCS(=O)(=O)C1 ZINC000563958152 530686946 /nfs/dbraw/zinc/68/69/46/530686946.db2.gz NJGGOBXCQDZBQQ-PMPSAXMXSA-N 0 3 375.535 0.240 20 0 GCADHN O=S(=O)(NCc1cn(Cc2cccc(Cl)c2F)nn1)N1CCNCC1 ZINC000640947992 530687708 /nfs/dbraw/zinc/68/77/08/530687708.db2.gz NARIZTWORMVBIM-UHFFFAOYSA-N 0 3 388.856 0.359 20 0 GCADHN CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000658408618 530691390 /nfs/dbraw/zinc/69/13/90/530691390.db2.gz MBEZBCAGXPFYES-UHFFFAOYSA-N 0 3 389.840 0.900 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1 ZINC000470590195 530695631 /nfs/dbraw/zinc/69/56/31/530695631.db2.gz FYPCERGKYAVSMH-GFCCVEGCSA-N 0 3 386.290 0.998 20 0 GCADHN CCN(CCO)CCNC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000470588319 530695719 /nfs/dbraw/zinc/69/57/19/530695719.db2.gz QELRFLDGIKKEIH-UHFFFAOYSA-N 0 3 376.251 0.545 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000470590196 530695732 /nfs/dbraw/zinc/69/57/32/530695732.db2.gz FYPCERGKYAVSMH-LBPRGKRZSA-N 0 3 386.290 0.998 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)s1 ZINC000360975828 530702425 /nfs/dbraw/zinc/70/24/25/530702425.db2.gz CMWZUDZVSZKESE-NWDGAFQWSA-N 0 3 388.515 0.319 20 0 GCADHN O=C(NCCNC(=O)[C@H]1CN2CCN1CCC2)c1cccc(Br)c1 ZINC000362074734 530705049 /nfs/dbraw/zinc/70/50/49/530705049.db2.gz ATRNAZNEGZYJLK-OAHLLOKOSA-N 0 3 395.301 0.685 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000498331085 530709225 /nfs/dbraw/zinc/70/92/25/530709225.db2.gz ZIJDFPORNFVUQQ-ZDUSSCGKSA-N 0 3 389.543 0.984 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000498331084 530709427 /nfs/dbraw/zinc/70/94/27/530709427.db2.gz ZIJDFPORNFVUQQ-CYBMUJFWSA-N 0 3 389.543 0.984 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000472899424 530709490 /nfs/dbraw/zinc/70/94/90/530709490.db2.gz PQXVDIHLEDEQCO-LBPRGKRZSA-N 0 3 389.547 0.221 20 0 GCADHN CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000474869995 530721356 /nfs/dbraw/zinc/72/13/56/530721356.db2.gz ALEHFOKWSXJZOH-GDBMZVCRSA-N 0 3 377.551 0.956 20 0 GCADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(OCCN(C)C)CC1 ZINC000474105426 530714688 /nfs/dbraw/zinc/71/46/88/530714688.db2.gz KIFIWKZEYBYWEX-HNNXBMFYSA-N 0 3 377.507 0.301 20 0 GCADHN CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC(OCCN(C)C)CC1 ZINC000474105427 530714707 /nfs/dbraw/zinc/71/47/07/530714707.db2.gz KIFIWKZEYBYWEX-OAHLLOKOSA-N 0 3 377.507 0.301 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccsc2C(=O)OC)CC1 ZINC000525894776 530684631 /nfs/dbraw/zinc/68/46/31/530684631.db2.gz PVBLXWJITHWJJB-LBPRGKRZSA-N 0 3 375.516 0.839 20 0 GCADHN CN(C)C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000578875327 530736208 /nfs/dbraw/zinc/73/62/08/530736208.db2.gz PEABBXRKXZBQSZ-AWEZNQCLSA-N 0 3 376.910 0.797 20 0 GCADHN COC(=O)CSCCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000477548371 530744714 /nfs/dbraw/zinc/74/47/14/530744714.db2.gz IZBXJZLJBCBNBH-UHFFFAOYSA-N 0 3 378.520 0.246 20 0 GCADHN CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)C[C@@H]1CSCCN1)C2 ZINC000579110384 530738822 /nfs/dbraw/zinc/73/88/22/530738822.db2.gz JACHDVGSXJAXPF-CQSZACIVSA-N 0 3 383.539 0.917 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)CC[C@@H]1CCCCO1)C(=O)NCCN(C)C ZINC000641398929 530739268 /nfs/dbraw/zinc/73/92/68/530739268.db2.gz LFANLPPAVICOSB-HOTGVXAUSA-N 0 3 377.551 0.958 20 0 GCADHN NS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccncc3)CC2)s1 ZINC000054394661 530740113 /nfs/dbraw/zinc/74/01/13/530740113.db2.gz WZMVBFQUAPPUGL-UHFFFAOYSA-N 0 3 381.483 0.822 20 0 GCADHN COC[C@H](CS(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)OC ZINC000641420823 530741960 /nfs/dbraw/zinc/74/19/60/530741960.db2.gz HGAYWGVUOXIDEX-MRXNPFEDSA-N 0 3 377.551 0.327 20 0 GCADHN COCCN(C)C[C@H](O)Cn1nc(C)c(S(=O)(=O)NC(C)(C)C)c1C ZINC000579374040 530742129 /nfs/dbraw/zinc/74/21/29/530742129.db2.gz KRFNJFIQQCXBHV-AWEZNQCLSA-N 0 3 376.523 0.516 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000477375552 530742760 /nfs/dbraw/zinc/74/27/60/530742760.db2.gz PDZJZVBPBRNKQC-BZUAXINKSA-N 0 3 375.535 0.111 20 0 GCADHN O=C(NCCNC[C@@H](O)COc1ccc(Br)cc1)c1cnccn1 ZINC000579464418 530743188 /nfs/dbraw/zinc/74/31/88/530743188.db2.gz QIISIWIKDDHSQU-CYBMUJFWSA-N 0 3 395.257 0.998 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)CCSC1 ZINC000579509690 530743990 /nfs/dbraw/zinc/74/39/90/530743990.db2.gz ZQUSUXTWPZRWFV-TZMCWYRMSA-N 0 3 384.468 0.986 20 0 GCADHN C[NH+]1CCC(O)(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000474982704 530721998 /nfs/dbraw/zinc/72/19/98/530721998.db2.gz AGQBUGDIRVUPQR-UHFFFAOYSA-N 0 3 381.907 0.253 20 0 GCADHN O=C(CN1C(=O)COc2cc(Br)ccc21)NC[C@@H]1CNCCO1 ZINC000578063033 530725070 /nfs/dbraw/zinc/72/50/70/530725070.db2.gz TXWFYTWMKGXFIX-NSHDSACASA-N 0 3 384.230 0.279 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CCN2C1=O ZINC000578144448 530726749 /nfs/dbraw/zinc/72/67/49/530726749.db2.gz UHDKAARZIBDZNL-STQMWFEESA-N 0 3 377.388 0.779 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368808705 530726766 /nfs/dbraw/zinc/72/67/66/530726766.db2.gz ATZPCNFFNWZMFV-UHFFFAOYSA-N 0 3 385.262 0.704 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000475795015 530727717 /nfs/dbraw/zinc/72/77/17/530727717.db2.gz HTHQITWMHREIHF-GFCCVEGCSA-N 0 3 384.424 0.817 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000475800829 530727739 /nfs/dbraw/zinc/72/77/39/530727739.db2.gz WCMPPCLFPOKUGA-ARFHVFGLSA-N 0 3 376.519 0.730 20 0 GCADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)NC2CCOCC2)CC1 ZINC000578277694 530729739 /nfs/dbraw/zinc/72/97/39/530729739.db2.gz KZSWHPHHPXOXFL-CQSZACIVSA-N 0 3 375.535 0.664 20 0 GCADHN C[NH+](C)C[C@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000578376464 530730545 /nfs/dbraw/zinc/73/05/45/530730545.db2.gz DKSPSKZGBDNDIX-CQSZACIVSA-N 0 3 398.312 0.701 20 0 GCADHN CN1CCC(N2CC[C@@H](NC(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000369272909 530730519 /nfs/dbraw/zinc/73/05/19/530730519.db2.gz DGYIIAZBTQXTHU-UKRRQHHQSA-N 0 3 375.560 0.191 20 0 GCADHN CN1CCC(N2CC[C@H](NC(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000369272907 530730867 /nfs/dbraw/zinc/73/08/67/530730867.db2.gz DGYIIAZBTQXTHU-DZGCQCFKSA-N 0 3 375.560 0.191 20 0 GCADHN C[C@H](CS(C)(=O)=O)NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000369308414 530731657 /nfs/dbraw/zinc/73/16/57/530731657.db2.gz TVMGAHORMDHWDL-RBSFLKMASA-N 0 3 375.535 0.950 20 0 GCADHN Cc1c(Br)cc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c(=O)n1C ZINC000578521265 530732246 /nfs/dbraw/zinc/73/22/46/530732246.db2.gz PWXARRNJHROHQO-SECBINFHSA-N 0 3 387.278 0.252 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)CCSC1 ZINC000671070754 530732845 /nfs/dbraw/zinc/73/28/45/530732845.db2.gz HVKIYKPESAHWEU-MRXNPFEDSA-N 0 3 378.489 0.386 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H](C(F)(F)F)O1 ZINC000671071702 530744540 /nfs/dbraw/zinc/74/45/40/530744540.db2.gz KUGMSUGREQRXQE-JTNHKYCSSA-N 0 3 383.436 0.718 20 0 GCADHN COc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(Br)c1OC ZINC000578523839 530732916 /nfs/dbraw/zinc/73/29/16/530732916.db2.gz RXOZGZSHBFMQPS-ZYHUDNBSSA-N 0 3 398.257 0.850 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@@H](C(F)(F)F)O1 ZINC000671071704 530744548 /nfs/dbraw/zinc/74/45/48/530744548.db2.gz KUGMSUGREQRXQE-SUNKGSAMSA-N 0 3 383.436 0.718 20 0 GCADHN COCCN(Cc1sccc1Br)C(=O)C(=O)NC1CNC1 ZINC000578731117 530735181 /nfs/dbraw/zinc/73/51/81/530735181.db2.gz FTIHVEJJAXYFRG-UHFFFAOYSA-N 0 3 376.276 0.574 20 0 GCADHN [NH3+]C[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000418152375 530749960 /nfs/dbraw/zinc/74/99/60/530749960.db2.gz GZSCOCCDHIHPHW-JTQLQIEISA-N 0 3 378.857 0.748 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)NC[C@@H]1CCC[NH2+]1 ZINC000418163687 530750469 /nfs/dbraw/zinc/75/04/69/530750469.db2.gz GZUZGSNDVUZKKL-NSHDSACASA-N 0 3 378.857 0.809 20 0 GCADHN CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418164946 530750496 /nfs/dbraw/zinc/75/04/96/530750496.db2.gz HWOMOCLYYYKMLY-LBPRGKRZSA-N 0 3 378.445 0.916 20 0 GCADHN [NH3+]C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000418161992 530750966 /nfs/dbraw/zinc/75/09/66/530750966.db2.gz FDYIFLYQLNYSED-LLVKDONJSA-N 0 3 394.856 0.127 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580832880 530751104 /nfs/dbraw/zinc/75/11/04/530751104.db2.gz HRKQVGJEDKSJSI-AOOOYVTPSA-N 0 3 378.281 0.950 20 0 GCADHN C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418172675 530751529 /nfs/dbraw/zinc/75/15/29/530751529.db2.gz PLRKMKYSACMDLL-WDEREUQCSA-N 0 3 376.429 0.622 20 0 GCADHN Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NC[C@@H]1CNCCO1 ZINC000418184521 530752229 /nfs/dbraw/zinc/75/22/29/530752229.db2.gz NQVGNSIBFDVRSQ-ZDUSSCGKSA-N 0 3 390.893 0.214 20 0 GCADHN CN[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000581022102 530752849 /nfs/dbraw/zinc/75/28/49/530752849.db2.gz LCAGJPLHQPVJMP-NSHDSACASA-N 0 3 390.303 0.890 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)[C@H]2C1 ZINC000371561614 530755211 /nfs/dbraw/zinc/75/52/11/530755211.db2.gz JMUIRCWJRSCWRL-KBPBESRZSA-N 0 3 376.548 0.101 20 0 GCADHN C[C@H]1CN(C(=O)NCc2nn(C)cc2I)[C@@H](C)CN1 ZINC000418243569 530755618 /nfs/dbraw/zinc/75/56/18/530755618.db2.gz AJQJOYNMPXQRBR-IUCAKERBSA-N 0 3 377.230 0.917 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000479291232 530756601 /nfs/dbraw/zinc/75/66/01/530756601.db2.gz ZFLYCKZQESMKTR-NSHDSACASA-N 0 3 388.237 0.516 20 0 GCADHN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581321783 530757343 /nfs/dbraw/zinc/75/73/43/530757343.db2.gz YNVPNVPGHOAKSG-JKOKRWQUSA-N 0 3 382.258 0.987 20 0 GCADHN CCS(=O)(=O)N1CC(CN[C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000479450053 530757924 /nfs/dbraw/zinc/75/79/24/530757924.db2.gz FYKNUCYJKKYGHP-ZDUSSCGKSA-N 0 3 389.543 0.883 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000372076385 530761811 /nfs/dbraw/zinc/76/18/11/530761811.db2.gz HBRYYFGBJHMQRG-UKRRQHHQSA-N 0 3 379.548 0.204 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Cl ZINC000581677948 530762394 /nfs/dbraw/zinc/76/23/94/530762394.db2.gz UVLICSQHGCMWBV-NOZJJQNGSA-N 0 3 387.845 0.059 20 0 GCADHN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579615308 530745927 /nfs/dbraw/zinc/74/59/27/530745927.db2.gz DXGBTIYZFGZKKD-RYUDHWBXSA-N 0 3 377.388 0.946 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)C(F)(F)F ZINC000370692570 530746483 /nfs/dbraw/zinc/74/64/83/530746483.db2.gz YQVSMNHSPLKGRL-NEPJUHHUSA-N 0 3 384.424 0.464 20 0 GCADHN CS(=O)(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H](F)C[NH2+]2)c(Cl)s1 ZINC000370731226 530747125 /nfs/dbraw/zinc/74/71/25/530747125.db2.gz UWEIKGKZWMWCAN-BQBZGAKWSA-N 0 3 376.884 0.783 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NC1CCN(C2CCCCC2)CC1 ZINC000371145731 530748231 /nfs/dbraw/zinc/74/82/31/530748231.db2.gz CJZVKNPUPXHONV-UHFFFAOYSA-N 0 3 381.564 0.642 20 0 GCADHN CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC([NH3+])C1 ZINC000418155341 530749417 /nfs/dbraw/zinc/74/94/17/530749417.db2.gz LILUXATXIUGIPJ-UHFFFAOYSA-N 0 3 378.857 0.889 20 0 GCADHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C[C@@H]1C ZINC000480674598 530769140 /nfs/dbraw/zinc/76/91/40/530769140.db2.gz VCDYCAOAEAVMPK-STQMWFEESA-N 0 3 375.516 0.978 20 0 GCADHN CS[C@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C[C@H]1N(C)C ZINC000480938108 530773783 /nfs/dbraw/zinc/77/37/83/530773783.db2.gz XJMZXMVRDARNQU-CABCVRRESA-N 0 3 389.591 0.728 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1C[NH2+]CCO1 ZINC000582361264 530775341 /nfs/dbraw/zinc/77/53/41/530775341.db2.gz WSWZYHMIMSUXJK-SECBINFHSA-N 0 3 382.269 0.376 20 0 GCADHN CCCc1nc(CS(=O)(=O)C(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000642541147 530776449 /nfs/dbraw/zinc/77/64/49/530776449.db2.gz LMRCNBNQTXDVRS-GHMZBOCLSA-N 0 3 394.540 0.702 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481193501 530776562 /nfs/dbraw/zinc/77/65/62/530776562.db2.gz TYRNVBSZZDFTKS-TZMCWYRMSA-N 0 3 383.605 0.601 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000045282827 530779808 /nfs/dbraw/zinc/77/98/08/530779808.db2.gz JRLZBHIDXNDHMR-MFKMUULPSA-N 0 3 379.887 0.947 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000045359022 530780281 /nfs/dbraw/zinc/78/02/81/530780281.db2.gz SOMPDJMFYBNCBB-GWCFXTLKSA-N 0 3 379.887 0.947 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000045764371 530780307 /nfs/dbraw/zinc/78/03/07/530780307.db2.gz LWTYOVRQEDPTBG-NSHDSACASA-N 0 3 378.447 0.092 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1 ZINC000046761760 530781303 /nfs/dbraw/zinc/78/13/03/530781303.db2.gz VSIZOXBLNSGREX-LBPRGKRZSA-N 0 3 376.500 0.766 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000482061956 530782599 /nfs/dbraw/zinc/78/25/99/530782599.db2.gz BPOKKRMQOAQAOJ-UHFFFAOYSA-N 0 3 375.535 0.808 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000646209064 530785054 /nfs/dbraw/zinc/78/50/54/530785054.db2.gz UPGDADIXCFLZPO-GFCCVEGCSA-N 0 3 375.516 0.575 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000482516008 530785439 /nfs/dbraw/zinc/78/54/39/530785439.db2.gz VMWWEKSNANPHIA-GFCCVEGCSA-N 0 3 375.516 0.839 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)NCCNCc1ccc2c(c1)OCCO2 ZINC000482525059 530785480 /nfs/dbraw/zinc/78/54/80/530785480.db2.gz QNRPTGPFLZMVOA-UHFFFAOYSA-N 0 3 385.467 0.996 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000646208883 530785847 /nfs/dbraw/zinc/78/58/47/530785847.db2.gz NDEASCFLDJMKFN-GXTWGEPZSA-N 0 3 384.274 0.841 20 0 GCADHN COCCN(C)CCCNC(=O)CNC(=O)c1ccc(Br)o1 ZINC000063744399 530786796 /nfs/dbraw/zinc/78/67/96/530786796.db2.gz RZUTZUQGAUAMOV-UHFFFAOYSA-N 0 3 376.251 0.856 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NCC2(N(C)C)CCCC2)c1 ZINC000064595975 530787167 /nfs/dbraw/zinc/78/71/67/530787167.db2.gz ZBJFLDGOSJWCNN-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)CN2CCCC2)cc1C ZINC000480448607 530765676 /nfs/dbraw/zinc/76/56/76/530765676.db2.gz XZCHSKKFYVDJNZ-ZDUSSCGKSA-N 0 3 389.543 0.913 20 0 GCADHN NC(=O)C[C@@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)C1CCOCC1 ZINC000581946188 530766934 /nfs/dbraw/zinc/76/69/34/530766934.db2.gz CJBSPVKEMYQHOM-CQSZACIVSA-N 0 3 375.878 0.748 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC2CCN(C)CC2)cc1C ZINC000480541129 530767107 /nfs/dbraw/zinc/76/71/07/530767107.db2.gz YTFYRAJZLZCPOW-UHFFFAOYSA-N 0 3 389.543 0.865 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C ZINC000480533821 530767112 /nfs/dbraw/zinc/76/71/12/530767112.db2.gz BWQPODRTPGZTJK-CYBMUJFWSA-N 0 3 389.547 0.213 20 0 GCADHN CC(C(=O)N1CCO[C@H](COCC2CC2)C1)S(=O)(=O)C1CCOCC1 ZINC000485554182 530799377 /nfs/dbraw/zinc/79/93/77/530799377.db2.gz ZHEATUJQUXQRPG-HIFRSBDPSA-N 0 3 375.487 0.623 20 0 GCADHN CC(C)NS(=O)(=O)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000375757653 530807176 /nfs/dbraw/zinc/80/71/76/530807176.db2.gz KTCGYCGUEZQDDB-AWEZNQCLSA-N 0 3 376.523 0.209 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000375500887 530802759 /nfs/dbraw/zinc/80/27/59/530802759.db2.gz ZAPVUOWKZYXKCM-JKSUJKDBSA-N 0 3 375.535 0.496 20 0 GCADHN CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000641913394 530803014 /nfs/dbraw/zinc/80/30/14/530803014.db2.gz HXAASJPYNIXGLE-UHFFFAOYSA-N 0 3 381.479 0.996 20 0 GCADHN COCCN(C[C@H](O)C(F)(F)F)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000655197284 530804582 /nfs/dbraw/zinc/80/45/82/530804582.db2.gz AQLFBWIRKWQPLM-PWSUYJOCSA-N 0 3 391.408 0.367 20 0 GCADHN C[NH+]1CCC([C@@H]2CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C2)CC1 ZINC000374350581 530791485 /nfs/dbraw/zinc/79/14/85/530791485.db2.gz KOAGSDHPULXXGA-GFCCVEGCSA-N 0 3 399.289 0.902 20 0 GCADHN CCCN(C(=O)[C@H](C)N[C@@H]1CCOC[C@H]1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000484614430 530794469 /nfs/dbraw/zinc/79/44/69/530794469.db2.gz CKKPHNLFHSXVTB-CAOSSQGBSA-N 0 3 376.519 0.584 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H](C)c1ccc(F)cc1 ZINC000068887497 530795160 /nfs/dbraw/zinc/79/51/60/530795160.db2.gz WBYSBHUXFJFIJA-MISXGVKJSA-N 0 3 377.459 0.993 20 0 GCADHN C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000658412504 530796201 /nfs/dbraw/zinc/79/62/01/530796201.db2.gz XQKGQKLSDBFYFW-SECBINFHSA-N 0 3 389.421 0.413 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000485116032 530796797 /nfs/dbraw/zinc/79/67/97/530796797.db2.gz DNBPITDCNDFBAE-HNNXBMFYSA-N 0 3 395.591 0.617 20 0 GCADHN CN(C)[C@]1(CNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CCSC1 ZINC000498579384 530827612 /nfs/dbraw/zinc/82/76/12/530827612.db2.gz GJYBHPSVPUWAOZ-IPYPFGDCSA-N 0 3 378.564 0.583 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCN(C)[C@@H](C)CC ZINC000490462027 530829324 /nfs/dbraw/zinc/82/93/24/530829324.db2.gz XJWVAQOKSHOPSN-ZDUSSCGKSA-N 0 3 377.532 0.993 20 0 GCADHN CS(=O)(=O)N1CCC[C@@H]1CN[C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000377812270 530830037 /nfs/dbraw/zinc/83/00/37/530830037.db2.gz USPSIRGCNCXRHP-CJNGLKHVSA-N 0 3 387.527 0.725 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000491500762 530832846 /nfs/dbraw/zinc/83/28/46/530832846.db2.gz PTJUASCDUYLIOE-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN CCOCCCNC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000492077194 530835820 /nfs/dbraw/zinc/83/58/20/530835820.db2.gz CBAHUQHYUXTBHX-LLVKDONJSA-N 0 3 392.503 0.080 20 0 GCADHN CCC[C@H](C)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000492102551 530835860 /nfs/dbraw/zinc/83/58/60/530835860.db2.gz ZPBATFIORSQLHQ-WDEREUQCSA-N 0 3 376.504 0.842 20 0 GCADHN COc1ccccc1CNC(=O)C(C)S(=O)(=O)CCCS(C)(=O)=O ZINC000492180345 530835910 /nfs/dbraw/zinc/83/59/10/530835910.db2.gz GZWXRXROYVFHFU-GFCCVEGCSA-N 0 3 377.484 0.549 20 0 GCADHN CC(C(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)CCCS(C)(=O)=O ZINC000492129950 530836032 /nfs/dbraw/zinc/83/60/32/530836032.db2.gz XXMWUDRKPWVALC-GXTWGEPZSA-N 0 3 389.495 0.864 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@H]([C@@H]2CCOC2)C1)S(C)(=O)=O ZINC000378239611 530836177 /nfs/dbraw/zinc/83/61/77/530836177.db2.gz WZVCJBDIOBEWFK-JKSUJKDBSA-N 0 3 375.535 0.521 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000487108881 530811133 /nfs/dbraw/zinc/81/11/33/530811133.db2.gz GMMNNUKSIKHMQN-XQLPTFJDSA-N 0 3 377.576 0.989 20 0 GCADHN CS[C@H]1CN(C(=O)Cc2cc(S(N)(=O)=O)cn2C)C[C@@H]1N1CCCC1 ZINC000487147414 530811261 /nfs/dbraw/zinc/81/12/61/530811261.db2.gz JBGIIMJXVBHVRJ-GJZGRUSLSA-N 0 3 386.543 0.253 20 0 GCADHN COCCCS(=O)(=O)NCCN1CCC(CCN2CCOCC2)CC1 ZINC000376223974 530811582 /nfs/dbraw/zinc/81/15/82/530811582.db2.gz DHUJBDSVMUSQPW-UHFFFAOYSA-N 0 3 377.551 0.377 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000056786891 530815473 /nfs/dbraw/zinc/81/54/73/530815473.db2.gz UTBKNXDOTBAQMI-HUUCEWRRSA-N 0 3 375.539 0.240 20 0 GCADHN CC(=O)c1cc(S(=O)(=O)N2CCO[C@H](CN)C2)ccc1Br ZINC000376938397 530820285 /nfs/dbraw/zinc/82/02/85/530820285.db2.gz BAJDCKBPOBMHMQ-SNVBAGLBSA-N 0 3 377.260 1.000 20 0 GCADHN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)NCC1CCN(CCO)CC1 ZINC000489419562 530822396 /nfs/dbraw/zinc/82/23/96/530822396.db2.gz BYOSJPYFUZGMPQ-KRWDZBQOSA-N 0 3 375.535 0.401 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCn3c(Br)cnc3C2)CC1=O ZINC000377142979 530822664 /nfs/dbraw/zinc/82/26/64/530822664.db2.gz RPLHAYNDUZKROH-LLVKDONJSA-N 0 3 384.278 0.398 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000489530529 530823178 /nfs/dbraw/zinc/82/31/78/530823178.db2.gz XEXPGAHPYNPSGF-UHFFFAOYSA-N 0 3 376.523 0.066 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C)s1 ZINC000490036704 530825694 /nfs/dbraw/zinc/82/56/94/530825694.db2.gz RJJWBKIVAKBTBA-LBPRGKRZSA-N 0 3 397.588 0.706 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000490089983 530826495 /nfs/dbraw/zinc/82/64/95/530826495.db2.gz GZNUFEXHWLFUCV-CQSZACIVSA-N 0 3 375.516 0.403 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCOc3ccc(Br)cc3)CCN2C1=O ZINC000582737698 530847342 /nfs/dbraw/zinc/84/73/42/530847342.db2.gz VSSZETYGNOBFAU-JSGCOSHPSA-N 0 3 397.273 0.781 20 0 GCADHN CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2F)C[C@H]1N(C)C ZINC000495634061 530849946 /nfs/dbraw/zinc/84/99/46/530849946.db2.gz CPEJQNUEJMLZQR-ZIAGYGMSSA-N 0 3 389.518 0.998 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646380240 530850717 /nfs/dbraw/zinc/85/07/17/530850717.db2.gz UIMLUVRFACGGJH-RYUDHWBXSA-N 0 3 399.289 0.950 20 0 GCADHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000498900109 530851793 /nfs/dbraw/zinc/85/17/93/530851793.db2.gz XBLPFGOIHNTTSS-GFCCVEGCSA-N 0 3 375.516 0.685 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3F)CCN2C1=O ZINC000582797634 530853100 /nfs/dbraw/zinc/85/31/00/530853100.db2.gz VIWOPBWSBAVHTE-ONGXEEELSA-N 0 3 381.351 0.777 20 0 GCADHN NS(=O)(=O)c1cnn(CC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000499106435 530853301 /nfs/dbraw/zinc/85/33/01/530853301.db2.gz NVYSAPWNTGWDHM-CYBMUJFWSA-N 0 3 383.499 0.545 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)C1 ZINC000584368297 530857086 /nfs/dbraw/zinc/85/70/86/530857086.db2.gz HXOOTLVAWMTYFZ-RYUDHWBXSA-N 0 3 388.456 0.840 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1CCC(OC)CC1 ZINC000656892111 530857489 /nfs/dbraw/zinc/85/74/89/530857489.db2.gz WZSUBROTRGOSGC-MRXNPFEDSA-N 0 3 376.567 0.690 20 0 GCADHN CO[C@@H](CS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000656894985 530857896 /nfs/dbraw/zinc/85/78/96/530857896.db2.gz YODXNQYVPYDRMB-CVEARBPZSA-N 0 3 375.535 0.698 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCN(CCOC)CC1 ZINC000500167534 530859351 /nfs/dbraw/zinc/85/93/51/530859351.db2.gz BLIVVEAEBDFYAD-AWEZNQCLSA-N 0 3 381.564 0.274 20 0 GCADHN C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000653061392 530862300 /nfs/dbraw/zinc/86/23/00/530862300.db2.gz NVQIHGAFQPWWBZ-GFCCVEGCSA-N 0 3 382.408 0.745 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000530433084 530867202 /nfs/dbraw/zinc/86/72/02/530867202.db2.gz CYFAYPIJEYUMJQ-AWEZNQCLSA-N 0 3 392.547 0.307 20 0 GCADHN CC(C)(C)N1CC[C@H](CNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C1 ZINC000657033853 530868387 /nfs/dbraw/zinc/86/83/87/530868387.db2.gz ONSKXHHZMYFWAV-GFCCVEGCSA-N 0 3 375.516 0.884 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000657035679 530869066 /nfs/dbraw/zinc/86/90/66/530869066.db2.gz XSMCPZGDAOWJNI-ZDUSSCGKSA-N 0 3 389.543 0.993 20 0 GCADHN C[C@@H](CNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C)N(C)C1CC1 ZINC000584432809 530870755 /nfs/dbraw/zinc/87/07/55/530870755.db2.gz WSRMCVDRNDNHEC-ZFWWWQNUSA-N 0 3 375.539 0.429 20 0 GCADHN C[C@H](CNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C)N(C)C1CC1 ZINC000584432808 530870958 /nfs/dbraw/zinc/87/09/58/530870958.db2.gz WSRMCVDRNDNHEC-UKRRQHHQSA-N 0 3 375.539 0.429 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000657071835 530872479 /nfs/dbraw/zinc/87/24/79/530872479.db2.gz HYSCGCINLFQLIE-ZDUSSCGKSA-N 0 3 390.575 0.935 20 0 GCADHN C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)N1CCCC[C@@H]1C ZINC000502173342 530873436 /nfs/dbraw/zinc/87/34/36/530873436.db2.gz QRKGSBAYXLEVTE-GJZGRUSLSA-N 0 3 392.591 0.927 20 0 GCADHN CCCN(C(=O)[C@H](C)NCCC(C)(C)C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000506660590 530899731 /nfs/dbraw/zinc/89/97/31/530899731.db2.gz BVLFHHPYLPTSAS-KBPBESRZSA-N 0 3 376.519 0.980 20 0 GCADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000670396302 530900147 /nfs/dbraw/zinc/90/01/47/530900147.db2.gz UVIWMJPQIKINBM-HIFRSBDPSA-N 0 3 377.551 0.644 20 0 GCADHN Nc1nc(N)nc(N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1 ZINC000623874998 530910508 /nfs/dbraw/zinc/91/05/08/530910508.db2.gz VLUOIRIEDGIRIO-QMMMGPOBSA-N 0 3 393.249 0.709 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000503024850 530878684 /nfs/dbraw/zinc/87/86/84/530878684.db2.gz YGVJNNFLOKGVSF-CABCVRRESA-N 0 3 394.607 0.190 20 0 GCADHN CS[C@@H]1CN(c2ncc(Br)cc2S(N)(=O)=O)C[C@H]1N(C)C ZINC000503275517 530880818 /nfs/dbraw/zinc/88/08/18/530880818.db2.gz NLWBPFZOSYVMJL-NXEZZACHSA-N 0 3 395.348 0.973 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)Nc3cccnc3)C[C@@H]2C1 ZINC000349507150 530884526 /nfs/dbraw/zinc/88/45/26/530884526.db2.gz YDNPTUOJALXMFG-OKILXGFUSA-N 0 3 388.515 0.037 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000583806633 530886582 /nfs/dbraw/zinc/88/65/82/530886582.db2.gz KSKMCSSPAGQHPK-WCQYABFASA-N 0 3 393.241 0.583 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)c(Br)c1 ZINC000504559488 530890396 /nfs/dbraw/zinc/89/03/96/530890396.db2.gz AJFJYPFZAGGBBS-HNNXBMFYSA-N 0 3 388.262 0.825 20 0 GCADHN Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCN(C)C2)cn1 ZINC000349608243 530911140 /nfs/dbraw/zinc/91/11/40/530911140.db2.gz WXXUKBSXCZMMSQ-CQSZACIVSA-N 0 3 390.531 0.393 20 0 GCADHN Cc1ncccc1NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000349607234 530911249 /nfs/dbraw/zinc/91/12/49/530911249.db2.gz ULECJKQILWLZQO-AWEZNQCLSA-N 0 3 390.531 0.393 20 0 GCADHN Nc1nc(N)nc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000623927089 530911317 /nfs/dbraw/zinc/91/13/17/530911317.db2.gz XKSMWFANZCYDHV-UHFFFAOYSA-N 0 3 378.234 0.422 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCOc1ccc(S(N)(=O)=O)cc1 ZINC000510794825 530930285 /nfs/dbraw/zinc/93/02/85/530930285.db2.gz FIMUSKWAHRGRRK-HUUCEWRRSA-N 0 3 391.515 0.163 20 0 GCADHN O=S(=O)(NCCCN1CCCC1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000627622337 530933481 /nfs/dbraw/zinc/93/34/81/530933481.db2.gz GXVMFUJCCVAQMK-UHFFFAOYSA-N 0 3 387.527 0.892 20 0 GCADHN COCCc1noc(CS(=O)(=O)C(C)C(=O)NCCc2cccs2)n1 ZINC000509140509 530915999 /nfs/dbraw/zinc/91/59/99/530915999.db2.gz QRWJAEAHVZYGEE-NSHDSACASA-N 0 3 387.483 0.982 20 0 GCADHN C[C@H](Oc1ccccc1Br)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584481014 530916078 /nfs/dbraw/zinc/91/60/78/530916078.db2.gz WWKOMFAFSPNGGQ-GMXVVIOVSA-N 0 3 382.258 0.987 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H]2CCS(=O)(=O)[C@@H]2C)CC1 ZINC000628453419 530916499 /nfs/dbraw/zinc/91/64/99/530916499.db2.gz AXAYMWBSSQIZTK-TZMCWYRMSA-N 0 3 390.531 0.345 20 0 GCADHN O=S(=O)(NC[C@@H]1CCCN(C[C@@H](O)COC2CCOCC2)C1)C1CC1 ZINC000584553254 530918489 /nfs/dbraw/zinc/91/84/89/530918489.db2.gz MCDUFKZJVRTSPK-LSDHHAIUSA-N 0 3 376.519 0.337 20 0 GCADHN O=S(=O)(NC[C@H]1CCCN(C[C@H](O)COC2CCOCC2)C1)C1CC1 ZINC000584553251 530918853 /nfs/dbraw/zinc/91/88/53/530918853.db2.gz MCDUFKZJVRTSPK-CABCVRRESA-N 0 3 376.519 0.337 20 0 GCADHN COCCN(C)C[C@H](O)CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000584537538 530918862 /nfs/dbraw/zinc/91/88/62/530918862.db2.gz KNOHJKZXCQLCOU-NSHDSACASA-N 0 3 383.440 0.618 20 0 GCADHN COC(=O)[C@H](COC(C)C)N(C)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000610840363 530925790 /nfs/dbraw/zinc/92/57/90/530925790.db2.gz VPBVEZKSMDYPMW-OCCSQVGLSA-N 0 3 379.475 0.394 20 0 GCADHN COC(=O)[C@@H](COC(C)C)N(C)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000610840364 530925972 /nfs/dbraw/zinc/92/59/72/530925972.db2.gz VPBVEZKSMDYPMW-TZMCWYRMSA-N 0 3 379.475 0.394 20 0 GCADHN COC[C@H](CC1CCOCC1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000657915770 530927395 /nfs/dbraw/zinc/92/73/95/530927395.db2.gz NUVROZNMKZLWBB-DLBZAZTESA-N 0 3 378.535 0.896 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000419363087 530957527 /nfs/dbraw/zinc/95/75/27/530957527.db2.gz QJTUQWPGZIZRHV-JTQLQIEISA-N 0 3 385.262 0.149 20 0 GCADHN CN(C)CCCS(=O)(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000632079360 530958118 /nfs/dbraw/zinc/95/81/18/530958118.db2.gz QDRQMSNXIMRVJC-UHFFFAOYSA-N 0 3 376.567 0.484 20 0 GCADHN C[C@H](NC(=O)C(=O)NCCN)c1nc(-c2ccc(Br)cc2)no1 ZINC000419422372 530958298 /nfs/dbraw/zinc/95/82/98/530958298.db2.gz XCCLBPSFQDHMKN-QMMMGPOBSA-N 0 3 382.218 0.751 20 0 GCADHN CN(C)CCCS(=O)(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000632301167 530965635 /nfs/dbraw/zinc/96/56/35/530965635.db2.gz OQGGXGKIJRKUGP-UHFFFAOYSA-N 0 3 381.495 0.317 20 0 GCADHN CC(C)(CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1cccc(Br)c1 ZINC000419520220 530958672 /nfs/dbraw/zinc/95/86/72/530958672.db2.gz HEARUIKLPICBRS-AWEZNQCLSA-N 0 3 398.301 0.948 20 0 GCADHN CCN(CC)[C@@H](CNS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)CC(C)C ZINC000632098073 530958797 /nfs/dbraw/zinc/95/87/97/530958797.db2.gz RSGDTEJQUQGMAH-JKSUJKDBSA-N 0 3 397.607 0.944 20 0 GCADHN COc1cc(CNC(=O)C(=O)N(C)[C@H](C)CN)cc(Br)c1OC ZINC000419446887 530959002 /nfs/dbraw/zinc/95/90/02/530959002.db2.gz WFBHETSFFSMGPV-SECBINFHSA-N 0 3 388.262 0.888 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCCNC(=O)c1cccc(Br)c1)C1CC1 ZINC000419438614 530959128 /nfs/dbraw/zinc/95/91/28/530959128.db2.gz OYSUUKVFVOBEDJ-CYBMUJFWSA-N 0 3 397.273 0.149 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(CCN)CCO)Oc1cccc(Br)c1 ZINC000419625505 530959458 /nfs/dbraw/zinc/95/94/58/530959458.db2.gz WKGGPYXMBKRWRG-LLVKDONJSA-N 0 3 388.262 0.112 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(CCN)CCO)Oc1cccc(Br)c1 ZINC000419625506 530959630 /nfs/dbraw/zinc/95/96/30/530959630.db2.gz WKGGPYXMBKRWRG-NSHDSACASA-N 0 3 388.262 0.112 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000517278790 530959723 /nfs/dbraw/zinc/95/97/23/530959723.db2.gz QDJAJOVSUGEPPZ-CQSZACIVSA-N 0 3 392.591 0.785 20 0 GCADHN Cc1cc(S(=O)(=O)NCCNS(=O)(=O)CCCN(C)C)c(C)s1 ZINC000632126717 530960141 /nfs/dbraw/zinc/96/01/41/530960141.db2.gz ZVCQXZFQPMBANK-UHFFFAOYSA-N 0 3 383.561 0.514 20 0 GCADHN COCCCN1C(=O)N=NC1S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C ZINC000517468611 530961351 /nfs/dbraw/zinc/96/13/51/530961351.db2.gz PQDZGAVCNWHCOF-GFCCVEGCSA-N 0 3 376.479 0.828 20 0 GCADHN COCCNCCNC(=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000419680966 530961693 /nfs/dbraw/zinc/96/16/93/530961693.db2.gz SWGUWSKZEJFZMN-UHFFFAOYSA-N 0 3 397.273 0.899 20 0 GCADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419761585 530962190 /nfs/dbraw/zinc/96/21/90/530962190.db2.gz QEHJIHZTYIPUIC-GFCCVEGCSA-N 0 3 389.283 0.468 20 0 GCADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000419761587 530962316 /nfs/dbraw/zinc/96/23/16/530962316.db2.gz QEHJIHZTYIPUIC-LBPRGKRZSA-N 0 3 389.283 0.468 20 0 GCADHN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419818702 530962884 /nfs/dbraw/zinc/96/28/84/530962884.db2.gz OLDOBPAJYWIJML-LBPRGKRZSA-N 0 3 383.290 0.729 20 0 GCADHN NCCNC(=O)C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000419841392 530963109 /nfs/dbraw/zinc/96/31/09/530963109.db2.gz UFWQNFBYQOUJKN-UHFFFAOYSA-N 0 3 387.253 0.307 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000418803120 530935891 /nfs/dbraw/zinc/93/58/91/530935891.db2.gz DPVBECHJFVWTHP-SECBINFHSA-N 0 3 396.245 0.921 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)CN(C)C)CC2)cs1 ZINC000512414038 530942386 /nfs/dbraw/zinc/94/23/86/530942386.db2.gz CGGQDKAGRXGBLO-NSHDSACASA-N 0 3 375.520 0.418 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000512489292 530943369 /nfs/dbraw/zinc/94/33/69/530943369.db2.gz FLDTYUCEPKVZHV-LSDHHAIUSA-N 0 3 376.523 0.020 20 0 GCADHN C[C@@H]1CN(CCCNS(=O)(=O)CCCN2CCN(C)CC2)C[C@@H](C)O1 ZINC000631702093 530945898 /nfs/dbraw/zinc/94/58/98/530945898.db2.gz MNVGUAGIOHNTGO-IAGOWNOFSA-N 0 3 376.567 0.043 20 0 GCADHN C[C@H]1CN(CCCNS(=O)(=O)CCCN2CCN(C)CC2)C[C@H](C)O1 ZINC000631702097 530945960 /nfs/dbraw/zinc/94/59/60/530945960.db2.gz MNVGUAGIOHNTGO-IRXDYDNUSA-N 0 3 376.567 0.043 20 0 GCADHN CNS(=O)(=O)c1cccc(CNS(=O)(=O)CCCN2CCCC2)c1 ZINC000631735268 530946599 /nfs/dbraw/zinc/94/65/99/530946599.db2.gz AJJCGVXMBHPOQD-UHFFFAOYSA-N 0 3 375.516 0.500 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccc2Br)C1)C1CC1 ZINC000418866534 530946661 /nfs/dbraw/zinc/94/66/61/530946661.db2.gz NUWABJVNRZJBRT-JSGCOSHPSA-N 0 3 395.301 0.998 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418872082 530946927 /nfs/dbraw/zinc/94/69/27/530946927.db2.gz VXXYUDIDVVKEIX-NWDGAFQWSA-N 0 3 383.290 0.950 20 0 GCADHN O=S(=O)(CCCN1CCCC1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000632288360 530965179 /nfs/dbraw/zinc/96/51/79/530965179.db2.gz DULGFLIKOFWVNE-OAHLLOKOSA-N 0 3 379.548 0.302 20 0 GCADHN CO[C@H]1CCCC[C@H]1S(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000631812552 530948759 /nfs/dbraw/zinc/94/87/59/530948759.db2.gz BUWZVYRWRJSXQE-JKSUJKDBSA-N 0 3 375.535 0.664 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000420043205 530965209 /nfs/dbraw/zinc/96/52/09/530965209.db2.gz OIUDJDWAXHTGQV-MRXNPFEDSA-N 0 3 391.921 0.827 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1)C1CC1 ZINC000420054949 530965218 /nfs/dbraw/zinc/96/52/18/530965218.db2.gz GAOKMPGEQJWKPH-ZDUSSCGKSA-N 0 3 384.278 0.663 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000418937715 530951574 /nfs/dbraw/zinc/95/15/74/530951574.db2.gz PAJMHPXANDXNFY-UHFFFAOYSA-N 0 3 398.301 0.767 20 0 GCADHN CN(C1CC[NH2+]CC1)S(=O)(=O)[N-][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000631926467 530951621 /nfs/dbraw/zinc/95/16/21/530951621.db2.gz YXDKSYUFDGUDRE-HNNXBMFYSA-N 0 3 386.905 0.964 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1)C1CC1 ZINC000418971307 530952761 /nfs/dbraw/zinc/95/27/61/530952761.db2.gz MBVTUDRASZFMMB-NSHDSACASA-N 0 3 380.246 0.795 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000184203933 530965444 /nfs/dbraw/zinc/96/54/44/530965444.db2.gz YIMNIQIPSLWPGR-UHFFFAOYSA-N 0 3 388.559 0.559 20 0 GCADHN Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N(C)CCN)nc12 ZINC000419046270 530953350 /nfs/dbraw/zinc/95/33/50/530953350.db2.gz VCYNEXZFNQJFQC-UHFFFAOYSA-N 0 3 382.262 0.481 20 0 GCADHN O=S(=O)([N-]CC(F)(F)F)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000631969747 530954344 /nfs/dbraw/zinc/95/43/44/530954344.db2.gz JLPPJWPSDXSMNR-UWVGGRQHSA-N 0 3 399.416 0.262 20 0 GCADHN NC[C@H]1CCCN1C(=O)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000419146098 530956180 /nfs/dbraw/zinc/95/61/80/530956180.db2.gz HLYJVJCAVKMEIR-LLVKDONJSA-N 0 3 398.257 0.786 20 0 GCADHN COCCNCCNC(=O)C(=O)NCc1cc(Br)ccc1OC ZINC000419204044 530957040 /nfs/dbraw/zinc/95/70/40/530957040.db2.gz IKQUPLHWTKXCQV-UHFFFAOYSA-N 0 3 388.262 0.426 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 ZINC000516916331 530957219 /nfs/dbraw/zinc/95/72/19/530957219.db2.gz RPLFGJUBKSUJIZ-AWEZNQCLSA-N 0 3 387.527 0.701 20 0 GCADHN COCCCN(CCCN1CCN(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000192767491 530972977 /nfs/dbraw/zinc/97/29/77/530972977.db2.gz NJARSYAAOLWXIY-GOSISDBHSA-N 0 3 375.579 0.928 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)NCCCN2CCC(O)CC2)CC1 ZINC000522861209 530977824 /nfs/dbraw/zinc/97/78/24/530977824.db2.gz YWULEQDWHVZIRY-UHFFFAOYSA-N 0 3 375.535 0.448 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccccc2Cl)CC1=O ZINC000632725140 530979781 /nfs/dbraw/zinc/97/97/81/530979781.db2.gz DCEGOQAGONOGHG-CYBMUJFWSA-N 0 3 389.905 0.797 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cncc(Cl)c2)CC1=O ZINC000632726057 530980269 /nfs/dbraw/zinc/98/02/69/530980269.db2.gz DOCIZBLBCDZQAV-ZDUSSCGKSA-N 0 3 390.893 0.192 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)CCC(F)(F)F)CC1=O ZINC000632726594 530980400 /nfs/dbraw/zinc/98/04/00/530980400.db2.gz MAAKDIDDMQGVGG-NSHDSACASA-N 0 3 375.413 0.037 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2sccc2OC)CC1=O ZINC000632727146 530980577 /nfs/dbraw/zinc/98/05/77/530980577.db2.gz UJJIXQMVTOVLPG-LBPRGKRZSA-N 0 3 391.515 0.214 20 0 GCADHN CS[C@@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)C[C@H]1N(C)C ZINC000536813116 530983099 /nfs/dbraw/zinc/98/30/99/530983099.db2.gz ADXRXJYVHUHTDQ-RKDXNWHRSA-N 0 3 384.453 0.832 20 0 GCADHN [NH3+]C[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC12CCOCC2 ZINC000572002281 530983866 /nfs/dbraw/zinc/98/38/66/530983866.db2.gz CUDJEDRRTHDESE-ZDUSSCGKSA-N 0 3 387.527 0.630 20 0 GCADHN COCCNCCNC(=O)C(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000420181897 530965984 /nfs/dbraw/zinc/96/59/84/530965984.db2.gz JAFOLLQLVBPARA-UHFFFAOYSA-N 0 3 398.301 0.994 20 0 GCADHN COCCNCCNC(=O)C(=O)N(C)Cc1ccc(Br)s1 ZINC000420192413 530966317 /nfs/dbraw/zinc/96/63/17/530966317.db2.gz YPKBKXZPYTXQRI-UHFFFAOYSA-N 0 3 378.292 0.821 20 0 GCADHN C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420198395 530966329 /nfs/dbraw/zinc/96/63/29/530966329.db2.gz MQLDDWMHUHAFAM-NEPJUHHUSA-N 0 3 396.285 0.999 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000420213491 530966838 /nfs/dbraw/zinc/96/68/38/530966838.db2.gz YPMDFHBHGJPBMT-TZMCWYRMSA-N 0 3 397.273 0.612 20 0 GCADHN CN(CCc1ccc(Br)cc1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420209065 530966940 /nfs/dbraw/zinc/96/69/40/530966940.db2.gz ZBMFSFCRPRHUNN-AWEZNQCLSA-N 0 3 384.274 0.555 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000420464892 530968074 /nfs/dbraw/zinc/96/80/74/530968074.db2.gz YGBSEMHCBHPVNM-GHMZBOCLSA-N 0 3 379.479 0.993 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000420454392 530968250 /nfs/dbraw/zinc/96/82/50/530968250.db2.gz LGYMAVJDCDTFNW-VXGBXAGGSA-N 0 3 395.572 0.636 20 0 GCADHN O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)NC[C@H]2CNCCO2)c1 ZINC000420476140 530968809 /nfs/dbraw/zinc/96/88/09/530968809.db2.gz IBTRLZWTPQGUAC-LLVKDONJSA-N 0 3 381.376 0.245 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)cc1 ZINC000420469923 530968867 /nfs/dbraw/zinc/96/88/67/530968867.db2.gz WEEDTUTZEXIHIW-ZDUSSCGKSA-N 0 3 399.485 0.978 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1C(F)(F)F ZINC000420480828 530969528 /nfs/dbraw/zinc/96/95/28/530969528.db2.gz PPWSNLTZDAVCJJ-VIFPVBQESA-N 0 3 382.360 0.759 20 0 GCADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000521860108 530970380 /nfs/dbraw/zinc/97/03/80/530970380.db2.gz UNQNZUVKTBKCBU-QWHCGFSZSA-N 0 3 388.287 0.629 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)[C@H](CN)C1 ZINC000572348003 530991707 /nfs/dbraw/zinc/99/17/07/530991707.db2.gz XHLVRZBHQIGWRT-QLFBSQMISA-N 0 3 395.301 0.523 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)s1 ZINC000261971432 530991776 /nfs/dbraw/zinc/99/17/76/530991776.db2.gz QPMBUFRALNVBAN-UHFFFAOYSA-N 0 3 383.499 0.248 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH2+]C)c(OC)c1 ZINC000262122617 530993842 /nfs/dbraw/zinc/99/38/42/530993842.db2.gz KIFLOTQRHGCREE-CYBMUJFWSA-N 0 3 391.515 0.829 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000659086717 530993830 /nfs/dbraw/zinc/99/38/30/530993830.db2.gz CEPHTQILMAXZQC-SSDOTTSWSA-N 0 3 378.173 0.770 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](C[NH2+]C)C2)cc1F ZINC000262157668 530994545 /nfs/dbraw/zinc/99/45/45/530994545.db2.gz TWWVEUSHONNFJP-NSHDSACASA-N 0 3 379.479 0.817 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000262139879 530994675 /nfs/dbraw/zinc/99/46/75/530994675.db2.gz OXSJVYKPARJOKY-CYBMUJFWSA-N 0 3 391.515 0.959 20 0 GCADHN O=C(C[C@H]1CSCCN1)NCCNC(=O)c1ccc(Br)cn1 ZINC000659334133 530994987 /nfs/dbraw/zinc/99/49/87/530994987.db2.gz ASCBBRXUYBXIPM-NSHDSACASA-N 0 3 387.303 0.785 20 0 GCADHN CN(CCn1cc(Br)cn1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659631011 530995447 /nfs/dbraw/zinc/99/54/47/530995447.db2.gz YYEAFQFCLPPUNS-UHFFFAOYSA-N 0 3 384.238 0.442 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)cn1 ZINC000262269046 530995600 /nfs/dbraw/zinc/99/56/00/530995600.db2.gz KEMLUJBFLQRZDA-LSDHHAIUSA-N 0 3 381.479 0.601 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCCn2cc(Br)cn2)n1 ZINC000659490300 530995601 /nfs/dbraw/zinc/99/56/01/530995601.db2.gz ROONXYGEUWIBIL-UHFFFAOYSA-N 0 3 398.265 0.880 20 0 GCADHN CC[NH2+]CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000262297842 530995965 /nfs/dbraw/zinc/99/59/65/530995965.db2.gz NOTLHDCRNRWKBN-UHFFFAOYSA-N 0 3 385.305 0.740 20 0 GCADHN COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@]1(COC)CCC[NH2+]1 ZINC000262320274 530996516 /nfs/dbraw/zinc/99/65/16/530996516.db2.gz QFZSILDBDFVEFX-INIZCTEOSA-N 0 3 376.450 0.898 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000262426064 530997202 /nfs/dbraw/zinc/99/72/02/530997202.db2.gz CNSLLUFOYBBHGH-TXEJJXNPSA-N 0 3 391.490 0.817 20 0 GCADHN CS(=O)(=O)C1(C(=O)Nc2cc(Br)c[nH]c2=O)CCNCC1 ZINC000262417632 530997266 /nfs/dbraw/zinc/99/72/66/530997266.db2.gz RHYJPCAKOSKUCY-UHFFFAOYSA-N 0 3 378.248 0.655 20 0 GCADHN CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000262496890 530997995 /nfs/dbraw/zinc/99/79/95/530997995.db2.gz WWXYTWDWFDLCJK-LLVKDONJSA-N 0 3 379.504 0.733 20 0 GCADHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000253554296 530987385 /nfs/dbraw/zinc/98/73/85/530987385.db2.gz CYVAIJKNCZXCEH-JQWIXIFHSA-N 0 3 385.262 0.654 20 0 GCADHN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000253554296 530987389 /nfs/dbraw/zinc/98/73/89/530987389.db2.gz CYVAIJKNCZXCEH-JQWIXIFHSA-N 0 3 385.262 0.654 20 0 GCADHN [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)O1 ZINC000261678921 530989534 /nfs/dbraw/zinc/98/95/34/530989534.db2.gz AMLNFBNSIGANFI-PWSUYJOCSA-N 0 3 381.376 0.972 20 0 GCADHN Nc1ncc(Cl)cc1S(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261735208 530989840 /nfs/dbraw/zinc/98/98/40/530989840.db2.gz KCVQORWOAZHPND-SNVBAGLBSA-N 0 3 387.815 0.432 20 0 GCADHN C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000261783973 530989992 /nfs/dbraw/zinc/98/99/92/530989992.db2.gz KHPBELOFRIDSOC-IUCAKERBSA-N 0 3 396.332 0.985 20 0 GCADHN NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCN(CC3CC3)C2)c1 ZINC000660179184 531005531 /nfs/dbraw/zinc/00/55/31/531005531.db2.gz MWHWPZQLEDPCOS-CQSZACIVSA-N 0 3 387.527 0.734 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000660336735 531006749 /nfs/dbraw/zinc/00/67/49/531006749.db2.gz OJKKPUUGRUBKMN-ARFHVFGLSA-N 0 3 375.535 0.854 20 0 GCADHN CCN(CCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)S(C)(=O)=O ZINC000660440162 531007619 /nfs/dbraw/zinc/00/76/19/531007619.db2.gz PTLCFAFMTNCYQY-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN CCN(CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1)S(C)(=O)=O ZINC000660440161 531007657 /nfs/dbraw/zinc/00/76/57/531007657.db2.gz PTLCFAFMTNCYQY-HNNXBMFYSA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000528469671 531011056 /nfs/dbraw/zinc/01/10/56/531011056.db2.gz OWALTODUOHGUMT-UHFFFAOYSA-N 0 3 387.527 0.547 20 0 GCADHN [NH3+]C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000580432793 531011087 /nfs/dbraw/zinc/01/10/87/531011087.db2.gz ZTFHTXOLONPIJO-SECBINFHSA-N 0 3 382.269 0.458 20 0 GCADHN CN1CCC[C@@H](CNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000533103781 531034366 /nfs/dbraw/zinc/03/43/66/531034366.db2.gz JANIGIHCYLTLAX-STQMWFEESA-N 0 3 375.516 0.524 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCC[C@@H](C)[C@@H]1CCO)S(C)(=O)=O ZINC000661489225 531015097 /nfs/dbraw/zinc/01/50/97/531015097.db2.gz AEWURBZFITVLTQ-CVEARBPZSA-N 0 3 377.551 0.646 20 0 GCADHN CN(CCCNC(=O)CN1CCC[C@H]([C@@H]2CCCCO2)C1)S(C)(=O)=O ZINC000661872093 531016975 /nfs/dbraw/zinc/01/69/75/531016975.db2.gz AVAYBLIWWGKGNR-HOTGVXAUSA-N 0 3 375.535 0.665 20 0 GCADHN Cn1cc(I)c(CN[C@@H](C2CC2)[C@H]2CNCCO2)n1 ZINC000423155482 531017289 /nfs/dbraw/zinc/01/72/89/531017289.db2.gz LEQBPXOYAZMYJR-OLZOCXBDSA-N 0 3 376.242 0.881 20 0 GCADHN C[C@@H]1CCCN(C(=O)C(=O)N(C)CCn2cc(Br)cn2)[C@@H]1CN ZINC000423738975 531018825 /nfs/dbraw/zinc/01/88/25/531018825.db2.gz QWADCLMIHJWTMI-DGCLKSJQSA-N 0 3 386.294 0.690 20 0 GCADHN O=C(COC1CC[NH2+]CC1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000423983475 531019445 /nfs/dbraw/zinc/01/94/45/531019445.db2.gz APAUSXNCLYUIGP-UHFFFAOYSA-N 0 3 393.868 0.642 20 0 GCADHN CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC1=CCSC1 ZINC000662267690 531019983 /nfs/dbraw/zinc/01/99/83/531019983.db2.gz HXHBEHCBDOUEGF-UHFFFAOYSA-N 0 3 383.539 0.988 20 0 GCADHN CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000536836493 531021147 /nfs/dbraw/zinc/02/11/47/531021147.db2.gz AFAUGHLCWOPDKY-IUODEOHRSA-N 0 3 376.500 0.912 20 0 GCADHN C[C@@H](NC[C@H]1COCCN1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000530226506 531024846 /nfs/dbraw/zinc/02/48/46/531024846.db2.gz XQVOCBUVQNUUMP-OCCSQVGLSA-N 0 3 391.515 0.051 20 0 GCADHN C[C@@H](NC[C@@H]1COCCN1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000530226507 531024949 /nfs/dbraw/zinc/02/49/49/531024949.db2.gz XQVOCBUVQNUUMP-TZMCWYRMSA-N 0 3 391.515 0.051 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC2([NH3+])CCCC2)s1 ZINC000662863352 531027963 /nfs/dbraw/zinc/02/79/63/531027963.db2.gz PFLGWEAJKPMAQL-UHFFFAOYSA-N 0 3 388.515 0.050 20 0 GCADHN Cc1ccc(CN2CC[C@@H](CN(C)C(=O)CNS(=O)(=O)N(C)C)C2)s1 ZINC000614596592 531028351 /nfs/dbraw/zinc/02/83/51/531028351.db2.gz DJDDLEGMIVFYCT-AWEZNQCLSA-N 0 3 388.559 0.733 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2cc(C(F)(F)F)nn2C)CC1 ZINC000528346826 531029273 /nfs/dbraw/zinc/02/92/73/531029273.db2.gz UXCZNGUCWYNYTB-UHFFFAOYSA-N 0 3 384.424 0.953 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](C(C)C)N1CCCCCC1 ZINC000663561625 531035218 /nfs/dbraw/zinc/03/52/18/531035218.db2.gz UQFQSWLRMIZBCM-HRCADAONSA-N 0 3 375.535 0.998 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)c1 ZINC000580869662 531062645 /nfs/dbraw/zinc/06/26/45/531062645.db2.gz FKRHIBBCNZXQEF-UHFFFAOYSA-N 0 3 383.499 1.372 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000262762108 531063162 /nfs/dbraw/zinc/06/31/62/531063162.db2.gz GIEWNQJMBZIBRF-NEPJUHHUSA-N 0 3 395.572 0.649 20 0 GCADHN CC1(C)CN(S(=O)(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)CCO1 ZINC000537437285 531064010 /nfs/dbraw/zinc/06/40/10/531064010.db2.gz LRFLVZUMFBGFCG-HZPDHXFCSA-N 0 3 375.535 0.700 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(C)CC[NH2+]CC1 ZINC000262777360 531065300 /nfs/dbraw/zinc/06/53/00/531065300.db2.gz NSKNFIVLYRJANB-UHFFFAOYSA-N 0 3 375.516 0.605 20 0 GCADHN C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000262773611 531065386 /nfs/dbraw/zinc/06/53/86/531065386.db2.gz WIJZOVFEMPRURL-MNOVXSKESA-N 0 3 379.479 0.945 20 0 GCADHN CN1CCN(c2cccc(Cl)c2CNC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000538875196 531036928 /nfs/dbraw/zinc/03/69/28/531036928.db2.gz UWVIBTHUSYLSFS-CQSZACIVSA-N 0 3 387.933 0.995 20 0 GCADHN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1 ZINC000107786111 531037171 /nfs/dbraw/zinc/03/71/71/531037171.db2.gz OOWJKZWPDFMGKU-GFCCVEGCSA-N 0 3 376.500 0.564 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)C1CC1 ZINC000539159344 531038688 /nfs/dbraw/zinc/03/86/88/531038688.db2.gz DCDFACXFOHAQCT-LBPRGKRZSA-N 0 3 385.262 0.543 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000614847337 531038788 /nfs/dbraw/zinc/03/87/88/531038788.db2.gz LYEZWTNKHGIQMD-GFCCVEGCSA-N 0 3 382.404 0.604 20 0 GCADHN COCCCN(C(=O)NC[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000539171648 531039934 /nfs/dbraw/zinc/03/99/34/531039934.db2.gz TVJFDJMSMGWIQW-HOTGVXAUSA-N 0 3 375.535 0.954 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000539167640 531039972 /nfs/dbraw/zinc/03/99/72/531039972.db2.gz MWDDNKRYUXDONI-SNVBAGLBSA-N 0 3 385.262 0.544 20 0 GCADHN C[C@@H](NCCCS(=O)(=O)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000539305795 531040985 /nfs/dbraw/zinc/04/09/85/531040985.db2.gz ZZAJOBHZOKKSIS-CYBMUJFWSA-N 0 3 377.532 0.869 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000614854606 531042143 /nfs/dbraw/zinc/04/21/43/531042143.db2.gz RAMZQYAANQMZGG-CYBMUJFWSA-N 0 3 387.278 0.999 20 0 GCADHN C[C@H](C(=O)N[C@H](CO)CN(C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000614857651 531043656 /nfs/dbraw/zinc/04/36/56/531043656.db2.gz CNOQYISQQNXFEJ-KOLCDFICSA-N 0 3 398.257 0.472 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000614859089 531044021 /nfs/dbraw/zinc/04/40/21/531044021.db2.gz NOKNURXIVZKQOS-NSHDSACASA-N 0 3 398.257 0.474 20 0 GCADHN C[NH+](C)C[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000614860846 531044435 /nfs/dbraw/zinc/04/44/35/531044435.db2.gz VTFHQUSMUDPHLQ-SECBINFHSA-N 0 3 384.285 0.310 20 0 GCADHN CCN1CCN(CCCNC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000120685876 531046468 /nfs/dbraw/zinc/04/64/68/531046468.db2.gz MZZUDPOVGCBDCT-UHFFFAOYSA-N 0 3 388.559 0.560 20 0 GCADHN CN(C)C[C@@H](NC(=O)NCCNS(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000665009100 531046710 /nfs/dbraw/zinc/04/67/10/531046710.db2.gz 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/nfs/dbraw/zinc/05/19/50/531051950.db2.gz LJKJOGIVCVIPAE-DZKIICNBSA-N 0 3 376.523 0.002 20 0 GCADHN CN(C)CCn1ccc(NC(=O)NCCNS(=O)(=O)c2cccs2)n1 ZINC000437768778 531052003 /nfs/dbraw/zinc/05/20/03/531052003.db2.gz CBHUIYOUCAVIEH-UHFFFAOYSA-N 0 3 386.503 0.606 20 0 GCADHN C[C@H](CO)N1CCCN(C(=O)Nc2nnc3ccc(Br)cn32)CC1 ZINC000455769521 531054038 /nfs/dbraw/zinc/05/40/38/531054038.db2.gz ZLLZYXDIOAYQKU-LLVKDONJSA-N 0 3 397.277 1.412 20 0 GCADHN C[C@H]1C[NH2+]CC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000262722259 531055702 /nfs/dbraw/zinc/05/57/02/531055702.db2.gz GAJFJOUTIJTIEE-DTWKUNHWSA-N 0 3 396.332 0.903 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C[C@@H]2CSCCN2)c1 ZINC000262732428 531057441 /nfs/dbraw/zinc/05/74/41/531057441.db2.gz BUUHEJYKBUXGBS-CQSZACIVSA-N 0 3 387.527 0.323 20 0 GCADHN C[NH2+]CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000262733087 531057630 /nfs/dbraw/zinc/05/76/30/531057630.db2.gz FEMVZPWRSBYKOZ-UHFFFAOYSA-N 0 3 389.421 0.415 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1F ZINC000262745308 531058974 /nfs/dbraw/zinc/05/89/74/531058974.db2.gz ADCLTDRUJXXVKO-ZDUSSCGKSA-N 0 3 379.479 0.993 20 0 GCADHN CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC[NH2+]CC1 ZINC000262754053 531060291 /nfs/dbraw/zinc/06/02/91/531060291.db2.gz HHGHLLDFNRDNJW-UHFFFAOYSA-N 0 3 375.878 0.872 20 0 GCADHN CC(C)[C@@H](C(=O)NC[C@@H](O)CN1CCC(C)CC1)N1CCCS1(=O)=O ZINC000541786852 531060336 /nfs/dbraw/zinc/06/03/36/531060336.db2.gz JIRDIESVDDYASV-CVEARBPZSA-N 0 3 375.535 0.256 20 0 GCADHN CCS(=O)(=O)N1CCC(CNC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000543474392 531073460 /nfs/dbraw/zinc/07/34/60/531073460.db2.gz IZTHPPPNOYAZSZ-MRXNPFEDSA-N 0 3 392.591 0.785 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000152621458 531075396 /nfs/dbraw/zinc/07/53/96/531075396.db2.gz VLAHNEYBNFBVHU-INIZCTEOSA-N 0 3 386.290 0.998 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000152621359 531075482 /nfs/dbraw/zinc/07/54/82/531075482.db2.gz VLAHNEYBNFBVHU-MRXNPFEDSA-N 0 3 386.290 0.998 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2nn(C)cc2Br)CC1 ZINC000640325262 531076626 /nfs/dbraw/zinc/07/66/26/531076626.db2.gz DRJBOGBEEJAJGI-GFCCVEGCSA-N 0 3 387.326 1.578 20 0 GCADHN CC(C)(C)OC(=O)CCCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000544070771 531078010 /nfs/dbraw/zinc/07/80/10/531078010.db2.gz GPCBFISIINWIJJ-LSDHHAIUSA-N 0 3 376.519 0.586 20 0 GCADHN CCSc1nnc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000590820587 531084146 /nfs/dbraw/zinc/08/41/46/531084146.db2.gz FZABVFLVVMALJK-UHFFFAOYSA-N 0 3 384.531 1.422 20 0 GCADHN CN1CCN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)[C@H](CN)C1 ZINC000515187562 531086888 /nfs/dbraw/zinc/08/68/88/531086888.db2.gz ZCSMDUVUYSNEQZ-CQSZACIVSA-N 0 3 388.921 0.788 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000545861530 531087848 /nfs/dbraw/zinc/08/78/48/531087848.db2.gz TYJYVOYQRLZFEU-XHDPSFHLSA-N 0 3 375.878 0.190 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)ccc1Br ZINC000545862584 531087885 /nfs/dbraw/zinc/08/78/85/531087885.db2.gz WSIRDFOIESZWLD-OAHLLOKOSA-N 0 3 386.246 0.579 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)ccc1Br ZINC000545862583 531088243 /nfs/dbraw/zinc/08/82/43/531088243.db2.gz WSIRDFOIESZWLD-HNNXBMFYSA-N 0 3 386.246 0.579 20 0 GCADHN COCCNCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000263077303 531093018 /nfs/dbraw/zinc/09/30/18/531093018.db2.gz CQXHRQVVTGHJRY-UHFFFAOYSA-N 0 3 381.907 0.470 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)CCN2C1=O ZINC000516089647 531093860 /nfs/dbraw/zinc/09/38/60/531093860.db2.gz VOUPSBUBUCEHSF-ZJUUUORDSA-N 0 3 395.815 0.874 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC(F)F)CCN2C1=O ZINC000516089643 531094255 /nfs/dbraw/zinc/09/42/55/531094255.db2.gz VOUPSBUBUCEHSF-UWVGGRQHSA-N 0 3 395.815 0.874 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCc3ccc(Br)cc3)CCN2C1=O ZINC000516091665 531094342 /nfs/dbraw/zinc/09/43/42/531094342.db2.gz QWUSIVLJDKULHN-KBPBESRZSA-N 0 3 381.274 0.945 20 0 GCADHN COCCNCCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000516290675 531095436 /nfs/dbraw/zinc/09/54/36/531095436.db2.gz SUSSZEKMISRHNW-UHFFFAOYSA-N 0 3 379.866 0.821 20 0 GCADHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCCS(N)(=O)=O ZINC000426748263 531100545 /nfs/dbraw/zinc/10/05/45/531100545.db2.gz WARDUVUHHWDTFU-CYBMUJFWSA-N 0 3 375.516 0.898 20 0 GCADHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCCS(N)(=O)=O ZINC000426748264 531100791 /nfs/dbraw/zinc/10/07/91/531100791.db2.gz WARDUVUHHWDTFU-ZDUSSCGKSA-N 0 3 375.516 0.898 20 0 GCADHN O=C1[C@@H](NC[C@@H](O)COc2ccc(Br)cc2)CCCN1CCO ZINC000564329672 531103933 /nfs/dbraw/zinc/10/39/33/531103933.db2.gz ZGPLFZPPCDSYJK-HIFRSBDPSA-N 0 3 387.274 0.762 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1F ZINC000262810778 531070842 /nfs/dbraw/zinc/07/08/42/531070842.db2.gz YCOKARYJVOTCMI-UHFFFAOYSA-N 0 3 377.463 0.785 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1 ZINC000429116471 531106080 /nfs/dbraw/zinc/10/60/80/531106080.db2.gz NCGUZCIVKFWNFI-OAHLLOKOSA-N 0 3 375.878 0.609 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccs1)Nc1cnc2c(c1)CNCC2 ZINC000667798619 531107773 /nfs/dbraw/zinc/10/77/73/531107773.db2.gz FEDLVCMWJBNTHP-UHFFFAOYSA-N 0 3 381.483 0.889 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)NC(=O)NCc1cccs1 ZINC000429707004 531109008 /nfs/dbraw/zinc/10/90/08/531109008.db2.gz HXEJYDSSEWMAPB-QWHCGFSZSA-N 0 3 388.515 0.524 20 0 GCADHN C[C@H](N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NC(=O)NCC(F)(F)F ZINC000429727723 531109402 /nfs/dbraw/zinc/10/94/02/531109402.db2.gz XKDGPJYDSFHVLE-AEJSXWLSSA-N 0 3 388.412 0.213 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)NCCNCc1ccc2c(c1)nnn2C ZINC000548176414 531110679 /nfs/dbraw/zinc/11/06/79/531110679.db2.gz BAUJLOWKKFPNKH-UHFFFAOYSA-N 0 3 382.471 0.507 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)COC2CNC2)s1 ZINC000430085790 531111123 /nfs/dbraw/zinc/11/11/23/531111123.db2.gz BOBHVWXPHBGIDJ-UHFFFAOYSA-N 0 3 375.516 0.426 20 0 GCADHN COCCNCC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000430505120 531112558 /nfs/dbraw/zinc/11/25/58/531112558.db2.gz OWBAAYGXRXVLKN-UHFFFAOYSA-N 0 3 375.413 0.037 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000672697062 531113520 /nfs/dbraw/zinc/11/35/20/531113520.db2.gz MAWUQOQJHJSXNK-LBPRGKRZSA-N 0 3 387.527 0.758 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](CO)CN(C)C)s1 ZINC000673519996 531117290 /nfs/dbraw/zinc/11/72/90/531117290.db2.gz DZGRBFPQPFOGFZ-CHWSQXEVSA-N 0 3 375.516 0.248 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H](CO)CN(C)C)s1 ZINC000673520007 531117510 /nfs/dbraw/zinc/11/75/10/531117510.db2.gz DZGRBFPQPFOGFZ-QWHCGFSZSA-N 0 3 375.516 0.248 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000673845461 531119993 /nfs/dbraw/zinc/11/99/93/531119993.db2.gz WOFKAWQKJUKLKJ-INIZCTEOSA-N 0 3 375.535 0.806 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCN1CCC(OC)CC1 ZINC000674311352 531125290 /nfs/dbraw/zinc/12/52/90/531125290.db2.gz 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ZINC000551015062 531134677 /nfs/dbraw/zinc/13/46/77/531134677.db2.gz UPXFPQKZBVBSBV-BBRMVZONSA-N 0 3 387.527 0.725 20 0 GCADHN CCOCCCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000551231982 531136112 /nfs/dbraw/zinc/13/61/12/531136112.db2.gz WCKWUHKTFVWIBU-CYBMUJFWSA-N 0 3 391.511 0.936 20 0 GCADHN C[C@H](Cn1cc(Br)ccc1=O)NCCNC(=O)c1cnccn1 ZINC000551270762 531136643 /nfs/dbraw/zinc/13/66/43/531136643.db2.gz PYNGJUNFSUMZFP-LLVKDONJSA-N 0 3 380.246 0.809 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000154930636 531143949 /nfs/dbraw/zinc/14/39/49/531143949.db2.gz XCQVJZZMCPEDEG-HUUCEWRRSA-N 0 3 376.567 0.340 20 0 GCADHN C[C@H](CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000677170825 531144185 /nfs/dbraw/zinc/14/41/85/531144185.db2.gz GSAWEAQIWJUBNI-QLFBSQMISA-N 0 3 375.535 0.950 20 0 GCADHN C[C@@H](CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000677170827 531144426 /nfs/dbraw/zinc/14/44/26/531144426.db2.gz GSAWEAQIWJUBNI-ZNMIVQPWSA-N 0 3 375.535 0.950 20 0 GCADHN CN(C)C[C@H]1CN(c2ncc(Br)cc2S(N)(=O)=O)CCO1 ZINC000677232604 531145121 /nfs/dbraw/zinc/14/51/21/531145121.db2.gz WNDNEGWYKLSZNS-JTQLQIEISA-N 0 3 379.280 0.258 20 0 GCADHN C[C@@H]1[C@H](C)NCCN1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000436048097 531145135 /nfs/dbraw/zinc/14/51/35/531145135.db2.gz JJBHVBZNRDAZFZ-RRFJBIMHSA-N 0 3 385.555 0.946 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(Br)cn2)CC1=O ZINC000552103260 531141442 /nfs/dbraw/zinc/14/14/42/531141442.db2.gz KFTWBERJQLDLGN-CYBMUJFWSA-N 0 3 399.289 0.753 20 0 GCADHN O=C(Cc1cc2c(cc1Br)OCCO2)NCCN1CC[C@@H](O)C1 ZINC000629179637 531150784 /nfs/dbraw/zinc/15/07/84/531150784.db2.gz UUIMCFSHSRKKKU-GFCCVEGCSA-N 0 3 385.258 0.946 20 0 GCADHN COC[C@H](NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1 ZINC000678769694 531153339 /nfs/dbraw/zinc/15/33/39/531153339.db2.gz ZPJWXPVVSKIWOA-INIZCTEOSA-N 0 3 377.457 0.819 20 0 GCADHN COCCN(CCOC)C1CCN(C(=O)NCC2([S@](C)=O)CC2)CC1 ZINC000553816256 531156926 /nfs/dbraw/zinc/15/69/26/531156926.db2.gz XKCOWFARFXRXDQ-VWLOTQADSA-N 0 3 375.535 0.666 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C)[S@@](=O)CC1 ZINC000439186765 531159877 /nfs/dbraw/zinc/15/98/77/531159877.db2.gz GUSLJFGTGZBEHA-SPSFWMDKSA-N 0 3 376.548 0.593 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](C)[S@](=O)CC1 ZINC000439186764 531159913 /nfs/dbraw/zinc/15/99/13/531159913.db2.gz GUSLJFGTGZBEHA-SFDCACGMSA-N 0 3 376.548 0.593 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000554131778 531160082 /nfs/dbraw/zinc/16/00/82/531160082.db2.gz QOGHDFHCWWZHDM-JYJNAYRXSA-N 0 3 375.535 0.520 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000439641579 531163041 /nfs/dbraw/zinc/16/30/41/531163041.db2.gz OXAZDYYWBHKPQK-UHFFFAOYSA-N 0 3 375.828 0.817 20 0 GCADHN C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccccc3S(=O)(=O)[N-]C3CC3)C[C@H]21 ZINC000629353610 531169313 /nfs/dbraw/zinc/16/93/13/531169313.db2.gz JPNCVYXSDSKZIJ-VIKVFOODSA-N 0 3 385.511 0.308 20 0 GCADHN Cn1cc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000555643347 531170895 /nfs/dbraw/zinc/17/08/95/531170895.db2.gz IUTFNEQJLZUZHM-UHFFFAOYSA-N 0 3 385.873 0.691 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@H](CO)C(C)(C)C ZINC000440485820 531173743 /nfs/dbraw/zinc/17/37/43/531173743.db2.gz KCUZLZKYQWMXRZ-OAHLLOKOSA-N 0 3 392.543 0.707 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000440732070 531175550 /nfs/dbraw/zinc/17/55/50/531175550.db2.gz HEORLNLNJKLLQN-QWHCGFSZSA-N 0 3 375.516 0.603 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000564470537 531174735 /nfs/dbraw/zinc/17/47/35/531174735.db2.gz IPMIGSGDQCRYBV-NWDGAFQWSA-N 0 3 395.257 0.466 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](CN[C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000152884782 531176606 /nfs/dbraw/zinc/17/66/06/531176606.db2.gz PTBUTEDSUGOTRA-GWCFXTLKSA-N 0 3 390.303 0.847 20 0 GCADHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000440756676 531176763 /nfs/dbraw/zinc/17/67/63/531176763.db2.gz RJNJETGWSVVZAV-CYBMUJFWSA-N 0 3 375.516 0.605 20 0 GCADHN CO[C@@H]1CCN(S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)[C@H](CN)C1 ZINC000440834501 531176956 /nfs/dbraw/zinc/17/69/56/531176956.db2.gz ADPCKPUHMSIVLZ-UONOGXRCSA-N 0 3 390.527 0.834 20 0 GCADHN CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2CN)cc1 ZINC000440850466 531178045 /nfs/dbraw/zinc/17/80/45/531178045.db2.gz CSOWGSCFNKEJDD-QWHCGFSZSA-N 0 3 376.500 0.607 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1F ZINC000440838511 531177350 /nfs/dbraw/zinc/17/73/50/531177350.db2.gz SBKMNWMJQAPVKF-LLVKDONJSA-N 0 3 379.479 0.865 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@]1(C)CCC[NH2+]C1 ZINC000440859340 531177699 /nfs/dbraw/zinc/17/76/99/531177699.db2.gz NCSBFHWIHDHXJQ-HNNXBMFYSA-N 0 3 375.516 0.605 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000683384391 531179122 /nfs/dbraw/zinc/17/91/22/531179122.db2.gz KETNZCHFFWCNRJ-HNNXBMFYSA-N 0 3 390.575 0.681 20 0 GCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000441051302 531179130 /nfs/dbraw/zinc/17/91/30/531179130.db2.gz QKLHXBVAEJEMEI-GWCFXTLKSA-N 0 3 399.289 0.885 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000683766188 531181821 /nfs/dbraw/zinc/18/18/21/531181821.db2.gz CHULJGHRTZOJJX-GFCCVEGCSA-N 0 3 387.527 0.650 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000683834543 531181871 /nfs/dbraw/zinc/18/18/71/531181871.db2.gz OFCKPPPVAJQRFY-ZDUSSCGKSA-N 0 3 376.523 0.209 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)c(F)c3)CCN2C1=O ZINC000565240451 531182853 /nfs/dbraw/zinc/18/28/53/531182853.db2.gz WTRXCFHZIQCXNO-UFBFGSQYSA-N 0 3 392.250 0.521 20 0 GCADHN CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000684126525 531183500 /nfs/dbraw/zinc/18/35/00/531183500.db2.gz VBLSPQQOZBNPKQ-AWEZNQCLSA-N 0 3 375.539 0.240 20 0 GCADHN C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000565608416 531187884 /nfs/dbraw/zinc/18/78/84/531187884.db2.gz HIAWOJAORCZPKF-NSHDSACASA-N 0 3 399.485 0.849 20 0 GCADHN N[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000565598236 531187957 /nfs/dbraw/zinc/18/79/57/531187957.db2.gz QAVQHMNYCZWKSP-JKSUJKDBSA-N 0 3 381.479 0.449 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)C1=CCN(C)CC1 ZINC000442344370 531186369 /nfs/dbraw/zinc/18/63/69/531186369.db2.gz WJSBBNIHLBIISF-JTQLQIEISA-N 0 3 397.273 0.853 20 0 GCADHN CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](NCCCS(C)(=O)=O)C1=O ZINC000442781870 531189982 /nfs/dbraw/zinc/18/99/82/531189982.db2.gz OXAYCBQFUCUINB-KGLIPLIRSA-N 0 3 376.519 0.978 20 0 GCADHN C[C@H](O)C[C@H](C)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000565833478 531190725 /nfs/dbraw/zinc/19/07/25/531190725.db2.gz FVPMBWRVYIWSTF-KBPBESRZSA-N 0 3 392.543 0.707 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000685716281 531193033 /nfs/dbraw/zinc/19/30/33/531193033.db2.gz JGXKIJBWNKJCRG-CQSZACIVSA-N 0 3 389.905 0.845 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000685716278 531193070 /nfs/dbraw/zinc/19/30/70/531193070.db2.gz JGXKIJBWNKJCRG-AWEZNQCLSA-N 0 3 389.905 0.845 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C3(N)CCC3)CC2)c1 ZINC000566172400 531194696 /nfs/dbraw/zinc/19/46/96/531194696.db2.gz DRFVPJPSHHWIIF-UHFFFAOYSA-N 0 3 387.483 0.249 20 0 GCADHN COC1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000685776418 531193639 /nfs/dbraw/zinc/19/36/39/531193639.db2.gz JJGZDDGUTHYVDH-UHFFFAOYSA-N 0 3 389.905 0.845 20 0 GCADHN O[C@H](CNC[C@@H](O)CN1CCOCC1)COc1ccc(Br)cc1 ZINC000566230887 531196094 /nfs/dbraw/zinc/19/60/94/531196094.db2.gz FTRBBCJYGQMWLU-HUUCEWRRSA-N 0 3 389.290 0.472 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@]1(O)CN2CCC1CC2 ZINC000566455394 531197710 /nfs/dbraw/zinc/19/77/10/531197710.db2.gz MSVWMDSJJYMAGL-INIZCTEOSA-N 0 3 387.889 0.191 20 0 GCADHN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736293357 598827352 /nfs/dbraw/zinc/82/73/52/598827352.db2.gz OBQGCJIXOOEINW-SWLSCSKDSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736293357 598827354 /nfs/dbraw/zinc/82/73/54/598827354.db2.gz OBQGCJIXOOEINW-SWLSCSKDSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736293357 598827355 /nfs/dbraw/zinc/82/73/55/598827355.db2.gz OBQGCJIXOOEINW-SWLSCSKDSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736293357 598827357 /nfs/dbraw/zinc/82/73/57/598827357.db2.gz OBQGCJIXOOEINW-SWLSCSKDSA-N 0 3 393.455 0.943 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000738038576 598879167 /nfs/dbraw/zinc/87/91/67/598879167.db2.gz KVXRFLQAJKJEET-MRXNPFEDSA-N 0 3 383.456 0.683 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000738038576 598879169 /nfs/dbraw/zinc/87/91/69/598879169.db2.gz KVXRFLQAJKJEET-MRXNPFEDSA-N 0 3 383.456 0.683 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000737290927 598908655 /nfs/dbraw/zinc/90/86/55/598908655.db2.gz YUFRJLHPXFNJMM-UHFFFAOYSA-N 0 3 387.444 0.077 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737765802 598915942 /nfs/dbraw/zinc/91/59/42/598915942.db2.gz XRXGQCMVLUQQPL-JTQLQIEISA-N 0 3 399.502 0.257 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737765802 598915943 /nfs/dbraw/zinc/91/59/43/598915943.db2.gz XRXGQCMVLUQQPL-JTQLQIEISA-N 0 3 399.502 0.257 20 0 GCADHN C[C@](O)(C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(F)cc1F ZINC000736143566 598920043 /nfs/dbraw/zinc/92/00/43/598920043.db2.gz UHDDBEBGOFVODR-BTDLBPIBSA-N 0 3 390.398 0.880 20 0 GCADHN C[C@](O)(C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(F)cc1F ZINC000736143566 598920044 /nfs/dbraw/zinc/92/00/44/598920044.db2.gz UHDDBEBGOFVODR-BTDLBPIBSA-N 0 3 390.398 0.880 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCCN1c1ccccc1 ZINC000738291315 598920885 /nfs/dbraw/zinc/92/08/85/598920885.db2.gz UFGZOOGIPXQEFR-BBRMVZONSA-N 0 3 393.455 0.890 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736800521 599024392 /nfs/dbraw/zinc/02/43/92/599024392.db2.gz LWDPTSRRNBXSIX-UHFFFAOYSA-N 0 3 391.451 0.994 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736800521 599024394 /nfs/dbraw/zinc/02/43/94/599024394.db2.gz LWDPTSRRNBXSIX-UHFFFAOYSA-N 0 3 391.451 0.994 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736800521 599024396 /nfs/dbraw/zinc/02/43/96/599024396.db2.gz LWDPTSRRNBXSIX-UHFFFAOYSA-N 0 3 391.451 0.994 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736800521 599024398 /nfs/dbraw/zinc/02/43/98/599024398.db2.gz LWDPTSRRNBXSIX-UHFFFAOYSA-N 0 3 391.451 0.994 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000736184572 599034534 /nfs/dbraw/zinc/03/45/34/599034534.db2.gz LWWWRABUPYMMOJ-HOTGVXAUSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000736184572 599034537 /nfs/dbraw/zinc/03/45/37/599034537.db2.gz LWWWRABUPYMMOJ-HOTGVXAUSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000736184572 599034540 /nfs/dbraw/zinc/03/45/40/599034540.db2.gz LWWWRABUPYMMOJ-HOTGVXAUSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000736184572 599034543 /nfs/dbraw/zinc/03/45/43/599034543.db2.gz LWWWRABUPYMMOJ-HOTGVXAUSA-N 0 3 399.499 0.872 20 0 GCADHN Cc1oc(NC(=O)CN2CCC([N@H+](C)CCCO)CC2)c(-c2nnn[n-]2)c1C ZINC000737551075 599078132 /nfs/dbraw/zinc/07/81/32/599078132.db2.gz DZUKHBMYGIYWFK-UHFFFAOYSA-N 0 3 391.476 0.794 20 0 GCADHN Cc1oc(NC(=O)CN2CCC([N@@H+](C)CCCO)CC2)c(-c2nnn[n-]2)c1C ZINC000737551075 599078134 /nfs/dbraw/zinc/07/81/34/599078134.db2.gz DZUKHBMYGIYWFK-UHFFFAOYSA-N 0 3 391.476 0.794 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858870 599079951 /nfs/dbraw/zinc/07/99/51/599079951.db2.gz VJJIFJYSZRKRPC-IRXDYDNUSA-N 0 3 384.488 0.105 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736858870 599079954 /nfs/dbraw/zinc/07/99/54/599079954.db2.gz VJJIFJYSZRKRPC-IRXDYDNUSA-N 0 3 384.488 0.105 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2sccc2-c2nnn[n-]2)cn1 ZINC000736769860 599087973 /nfs/dbraw/zinc/08/79/73/599087973.db2.gz UTGHZSGWOAENSC-UHFFFAOYSA-N 0 3 389.445 0.055 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2sccc2-c2nn[n-]n2)cn1 ZINC000736769860 599087975 /nfs/dbraw/zinc/08/79/75/599087975.db2.gz UTGHZSGWOAENSC-UHFFFAOYSA-N 0 3 389.445 0.055 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736801147 599149866 /nfs/dbraw/zinc/14/98/66/599149866.db2.gz QUORSWPQLIQUQD-UHFFFAOYSA-N 0 3 387.444 0.110 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736801147 599149868 /nfs/dbraw/zinc/14/98/68/599149868.db2.gz QUORSWPQLIQUQD-UHFFFAOYSA-N 0 3 387.444 0.110 20 0 GCADHN C[N@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736801147 599149872 /nfs/dbraw/zinc/14/98/72/599149872.db2.gz QUORSWPQLIQUQD-UHFFFAOYSA-N 0 3 387.444 0.110 20 0 GCADHN C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736801147 599149876 /nfs/dbraw/zinc/14/98/76/599149876.db2.gz QUORSWPQLIQUQD-UHFFFAOYSA-N 0 3 387.444 0.110 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000736759855 599202702 /nfs/dbraw/zinc/20/27/02/599202702.db2.gz XUWOQSHFUIHOQH-DLBZAZTESA-N 0 3 385.472 0.625 20 0 GCADHN Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000737547991 599202767 /nfs/dbraw/zinc/20/27/67/599202767.db2.gz MZTBHSBKCGTKHI-CYBMUJFWSA-N 0 3 385.428 0.961 20 0 GCADHN COCCOC1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737004998 599208286 /nfs/dbraw/zinc/20/82/86/599208286.db2.gz DHDCVEOUNQYNRV-OAHLLOKOSA-N 0 3 377.445 0.734 20 0 GCADHN Cc1c(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cccc1-c1nn[n-]n1 ZINC000822060733 607280131 /nfs/dbraw/zinc/28/01/31/607280131.db2.gz IMVAMALEDWAASR-UHFFFAOYSA-N 0 3 383.416 0.510 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000820542265 607297860 /nfs/dbraw/zinc/29/78/60/607297860.db2.gz MXQPQXQHQODSLY-GJZGRUSLSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000820542265 607297861 /nfs/dbraw/zinc/29/78/61/607297861.db2.gz MXQPQXQHQODSLY-GJZGRUSLSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000820542265 607297862 /nfs/dbraw/zinc/29/78/62/607297862.db2.gz MXQPQXQHQODSLY-GJZGRUSLSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000820542265 607297863 /nfs/dbraw/zinc/29/78/63/607297863.db2.gz MXQPQXQHQODSLY-GJZGRUSLSA-N 0 3 388.472 0.987 20 0 GCADHN CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736529906 599280448 /nfs/dbraw/zinc/28/04/48/599280448.db2.gz BCRGCNKYCCJGBD-UHFFFAOYSA-N 0 3 397.386 0.865 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821689116 607333287 /nfs/dbraw/zinc/33/32/87/607333287.db2.gz LFIJNXFGFUGNPB-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821689116 607333288 /nfs/dbraw/zinc/33/32/88/607333288.db2.gz LFIJNXFGFUGNPB-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821689116 607333289 /nfs/dbraw/zinc/33/32/89/607333289.db2.gz LFIJNXFGFUGNPB-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821689116 607333290 /nfs/dbraw/zinc/33/32/90/607333290.db2.gz LFIJNXFGFUGNPB-UHFFFAOYSA-N 0 3 379.396 0.029 20 0 GCADHN CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821160564 607342306 /nfs/dbraw/zinc/34/23/06/607342306.db2.gz MUCHWNJGOJBVQT-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821160564 607342308 /nfs/dbraw/zinc/34/23/08/607342308.db2.gz MUCHWNJGOJBVQT-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821160564 607342310 /nfs/dbraw/zinc/34/23/10/607342310.db2.gz MUCHWNJGOJBVQT-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821160564 607342312 /nfs/dbraw/zinc/34/23/12/607342312.db2.gz MUCHWNJGOJBVQT-NSHDSACASA-N 0 3 375.408 0.745 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000737776403 598259857 /nfs/dbraw/zinc/25/98/57/598259857.db2.gz LZXMNPZHNPOCCL-CQSZACIVSA-N 0 3 379.428 0.555 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000737776403 598259859 /nfs/dbraw/zinc/25/98/59/598259859.db2.gz LZXMNPZHNPOCCL-CQSZACIVSA-N 0 3 379.428 0.555 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000737776403 598259861 /nfs/dbraw/zinc/25/98/61/598259861.db2.gz LZXMNPZHNPOCCL-CQSZACIVSA-N 0 3 379.428 0.555 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000737776403 598259863 /nfs/dbraw/zinc/25/98/63/598259863.db2.gz LZXMNPZHNPOCCL-CQSZACIVSA-N 0 3 379.428 0.555 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738040114 598261305 /nfs/dbraw/zinc/26/13/05/598261305.db2.gz SSTHTPDMGNLGGG-MRXNPFEDSA-N 0 3 383.456 0.683 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738040114 598261307 /nfs/dbraw/zinc/26/13/07/598261307.db2.gz SSTHTPDMGNLGGG-MRXNPFEDSA-N 0 3 383.456 0.683 20 0 GCADHN O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738074648 598269209 /nfs/dbraw/zinc/26/92/09/598269209.db2.gz LKOKJPCEHYBQCP-OAHLLOKOSA-N 0 3 385.476 0.943 20 0 GCADHN O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000738074648 598269210 /nfs/dbraw/zinc/26/92/10/598269210.db2.gz LKOKJPCEHYBQCP-OAHLLOKOSA-N 0 3 385.476 0.943 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[N@H+](C)C1CC1 ZINC000736018449 598270863 /nfs/dbraw/zinc/27/08/63/598270863.db2.gz WNFIOOSDYLKTAB-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[N@@H+](C)C1CC1 ZINC000736018449 598270865 /nfs/dbraw/zinc/27/08/65/598270865.db2.gz WNFIOOSDYLKTAB-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[N@H+](C)C1CC1 ZINC000736018449 598270866 /nfs/dbraw/zinc/27/08/66/598270866.db2.gz WNFIOOSDYLKTAB-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H](CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[N@@H+](C)C1CC1 ZINC000736018449 598270868 /nfs/dbraw/zinc/27/08/68/598270868.db2.gz WNFIOOSDYLKTAB-CYBMUJFWSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[N@H+](C)C1CC1 ZINC000736018451 598270908 /nfs/dbraw/zinc/27/09/08/598270908.db2.gz WNFIOOSDYLKTAB-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[N@@H+](C)C1CC1 ZINC000736018451 598270912 /nfs/dbraw/zinc/27/09/12/598270912.db2.gz WNFIOOSDYLKTAB-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[N@H+](C)C1CC1 ZINC000736018451 598270914 /nfs/dbraw/zinc/27/09/14/598270914.db2.gz WNFIOOSDYLKTAB-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[N@@H+](C)C1CC1 ZINC000736018451 598270917 /nfs/dbraw/zinc/27/09/17/598270917.db2.gz WNFIOOSDYLKTAB-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736573226 598273162 /nfs/dbraw/zinc/27/31/62/598273162.db2.gz YIMZOYPXBLQQOW-IRXDYDNUSA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736573226 598273164 /nfs/dbraw/zinc/27/31/64/598273164.db2.gz YIMZOYPXBLQQOW-IRXDYDNUSA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736573226 598273166 /nfs/dbraw/zinc/27/31/66/598273166.db2.gz YIMZOYPXBLQQOW-IRXDYDNUSA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736573226 598273167 /nfs/dbraw/zinc/27/31/67/598273167.db2.gz YIMZOYPXBLQQOW-IRXDYDNUSA-N 0 3 397.483 0.816 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000738384362 598313548 /nfs/dbraw/zinc/31/35/48/598313548.db2.gz DNKVYOAZQGKIQM-LSDHHAIUSA-N 0 3 375.429 0.691 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000738384362 598313550 /nfs/dbraw/zinc/31/35/50/598313550.db2.gz DNKVYOAZQGKIQM-LSDHHAIUSA-N 0 3 375.429 0.691 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000738384357 598313562 /nfs/dbraw/zinc/31/35/62/598313562.db2.gz DNKVYOAZQGKIQM-GJZGRUSLSA-N 0 3 375.429 0.691 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000738384357 598313564 /nfs/dbraw/zinc/31/35/64/598313564.db2.gz DNKVYOAZQGKIQM-GJZGRUSLSA-N 0 3 375.429 0.691 20 0 GCADHN CC[NH+](CC)CCN(CCOC)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736530546 598330082 /nfs/dbraw/zinc/33/00/82/598330082.db2.gz JVGDASIHNLXMFB-UHFFFAOYSA-N 0 3 389.460 0.622 20 0 GCADHN COCCN1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000737006096 598344068 /nfs/dbraw/zinc/34/40/68/598344068.db2.gz VRODYDRXOKQISC-HOCLYGCPSA-N 0 3 376.461 0.259 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000736704655 598348854 /nfs/dbraw/zinc/34/88/54/598348854.db2.gz APNLBGLKWUQULD-NWDGAFQWSA-N 0 3 381.444 0.952 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736705450 598348927 /nfs/dbraw/zinc/34/89/27/598348927.db2.gz JAYCWZCMSNVQKG-UONOGXRCSA-N 0 3 384.444 0.365 20 0 GCADHN C[N@H+](CCO)C1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736802612 598350461 /nfs/dbraw/zinc/35/04/61/598350461.db2.gz UVRXVSAYNZFWCB-UHFFFAOYSA-N 0 3 379.490 0.645 20 0 GCADHN C[N@@H+](CCO)C1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736802612 598350463 /nfs/dbraw/zinc/35/04/63/598350463.db2.gz UVRXVSAYNZFWCB-UHFFFAOYSA-N 0 3 379.490 0.645 20 0 GCADHN C[N@H+](CCO)C1CCN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000736802612 598350464 /nfs/dbraw/zinc/35/04/64/598350464.db2.gz UVRXVSAYNZFWCB-UHFFFAOYSA-N 0 3 379.490 0.645 20 0 GCADHN C[N@@H+](CCO)C1CCN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000736802612 598350466 /nfs/dbraw/zinc/35/04/66/598350466.db2.gz UVRXVSAYNZFWCB-UHFFFAOYSA-N 0 3 379.490 0.645 20 0 GCADHN C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736285499 598352791 /nfs/dbraw/zinc/35/27/91/598352791.db2.gz KIDPADCMKCYRNQ-YOEHRIQHSA-N 0 3 389.479 0.843 20 0 GCADHN CN1CCN(C[C@H]2CN(Cc3ccc(F)cc3-c3nn[nH]n3)CCO2)CC1 ZINC000736864561 598353322 /nfs/dbraw/zinc/35/33/22/598353322.db2.gz RZIAZKRPDQKVCW-INIZCTEOSA-N 0 3 375.452 0.454 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737745533 598371661 /nfs/dbraw/zinc/37/16/61/598371661.db2.gz PDCGEXXFZIOWMG-INIZCTEOSA-N 0 3 398.471 0.219 20 0 GCADHN COC(=O)[C@@H](C)C[N@H+](C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736895588 598372366 /nfs/dbraw/zinc/37/23/66/598372366.db2.gz YPFQBXFNVBCMEW-SWLSCSKDSA-N 0 3 375.429 0.880 20 0 GCADHN COC(=O)[C@@H](C)C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736895588 598372368 /nfs/dbraw/zinc/37/23/68/598372368.db2.gz YPFQBXFNVBCMEW-SWLSCSKDSA-N 0 3 375.429 0.880 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCC[NH+]1CCCCCC1 ZINC000737888357 598398417 /nfs/dbraw/zinc/39/84/17/598398417.db2.gz BDEUTHUBZMRBMK-UHFFFAOYSA-N 0 3 385.472 0.979 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCC[NH+]1CCCCCC1 ZINC000737888357 598398419 /nfs/dbraw/zinc/39/84/19/598398419.db2.gz BDEUTHUBZMRBMK-UHFFFAOYSA-N 0 3 385.472 0.979 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000736266888 598402707 /nfs/dbraw/zinc/40/27/07/598402707.db2.gz KTJCAOPTRAUMKC-KGLIPLIRSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCCC[C@H]1C ZINC000736266888 598402708 /nfs/dbraw/zinc/40/27/08/598402708.db2.gz KTJCAOPTRAUMKC-KGLIPLIRSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000736266888 598402709 /nfs/dbraw/zinc/40/27/09/598402709.db2.gz KTJCAOPTRAUMKC-KGLIPLIRSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCCC[C@H]1C ZINC000736266888 598402710 /nfs/dbraw/zinc/40/27/10/598402710.db2.gz KTJCAOPTRAUMKC-KGLIPLIRSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000736263964 598402762 /nfs/dbraw/zinc/40/27/62/598402762.db2.gz AFCWQDAUKKEKMA-KBPBESRZSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000736263964 598402763 /nfs/dbraw/zinc/40/27/63/598402763.db2.gz AFCWQDAUKKEKMA-KBPBESRZSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000736263964 598402764 /nfs/dbraw/zinc/40/27/64/598402764.db2.gz AFCWQDAUKKEKMA-KBPBESRZSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000736263964 598402765 /nfs/dbraw/zinc/40/27/65/598402765.db2.gz AFCWQDAUKKEKMA-KBPBESRZSA-N 0 3 385.472 0.833 20 0 GCADHN CCC[NH+]1CCC(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736478614 598405642 /nfs/dbraw/zinc/40/56/42/598405642.db2.gz AFDZMJFNVOMBCH-UHFFFAOYSA-N 0 3 385.472 0.835 20 0 GCADHN CCC[NH+]1CCC(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736478614 598405644 /nfs/dbraw/zinc/40/56/44/598405644.db2.gz AFDZMJFNVOMBCH-UHFFFAOYSA-N 0 3 385.472 0.835 20 0 GCADHN CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736322539 598430986 /nfs/dbraw/zinc/43/09/86/598430986.db2.gz LKRQTQJGQQZKAU-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736322539 598430988 /nfs/dbraw/zinc/43/09/88/598430988.db2.gz LKRQTQJGQQZKAU-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736322539 598430990 /nfs/dbraw/zinc/43/09/90/598430990.db2.gz LKRQTQJGQQZKAU-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736322539 598430992 /nfs/dbraw/zinc/43/09/92/598430992.db2.gz LKRQTQJGQQZKAU-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736987331 598435325 /nfs/dbraw/zinc/43/53/25/598435325.db2.gz AQJQGGXNBFMEHZ-UHFFFAOYSA-N 0 3 399.459 0.333 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736987331 598435327 /nfs/dbraw/zinc/43/53/27/598435327.db2.gz AQJQGGXNBFMEHZ-UHFFFAOYSA-N 0 3 399.459 0.333 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736987331 598435328 /nfs/dbraw/zinc/43/53/28/598435328.db2.gz AQJQGGXNBFMEHZ-UHFFFAOYSA-N 0 3 399.459 0.333 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736987331 598435330 /nfs/dbraw/zinc/43/53/30/598435330.db2.gz AQJQGGXNBFMEHZ-UHFFFAOYSA-N 0 3 399.459 0.333 20 0 GCADHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736235778 598463625 /nfs/dbraw/zinc/46/36/25/598463625.db2.gz DORGIYHJLIPQJQ-GJZGRUSLSA-N 0 3 384.488 0.892 20 0 GCADHN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736235778 598463627 /nfs/dbraw/zinc/46/36/27/598463627.db2.gz DORGIYHJLIPQJQ-GJZGRUSLSA-N 0 3 384.488 0.892 20 0 GCADHN COCCN1CC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737007584 598466329 /nfs/dbraw/zinc/46/63/29/598466329.db2.gz NFYWFBQNQHKQHC-RDJZCZTQSA-N 0 3 385.472 0.672 20 0 GCADHN O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738078002 598484479 /nfs/dbraw/zinc/48/44/79/598484479.db2.gz KXZTYTPOWQBWDD-CQSZACIVSA-N 0 3 385.476 0.943 20 0 GCADHN O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000738078002 598484480 /nfs/dbraw/zinc/48/44/80/598484480.db2.gz KXZTYTPOWQBWDD-CQSZACIVSA-N 0 3 385.476 0.943 20 0 GCADHN C[N@H+](CCO)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736800888 598510487 /nfs/dbraw/zinc/51/04/87/598510487.db2.gz DLHZJMCYYDNPBN-UHFFFAOYSA-N 0 3 380.474 0.085 20 0 GCADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736800888 598510489 /nfs/dbraw/zinc/51/04/89/598510489.db2.gz DLHZJMCYYDNPBN-UHFFFAOYSA-N 0 3 380.474 0.085 20 0 GCADHN C[N@H+](CCO)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736800888 598510491 /nfs/dbraw/zinc/51/04/91/598510491.db2.gz DLHZJMCYYDNPBN-UHFFFAOYSA-N 0 3 380.474 0.085 20 0 GCADHN C[N@@H+](CCO)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736800888 598510492 /nfs/dbraw/zinc/51/04/92/598510492.db2.gz DLHZJMCYYDNPBN-UHFFFAOYSA-N 0 3 380.474 0.085 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736858158 598514573 /nfs/dbraw/zinc/51/45/73/598514573.db2.gz QFQIIFZQSVBLFA-AWEZNQCLSA-N 0 3 399.503 0.872 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736858158 598514576 /nfs/dbraw/zinc/51/45/76/598514576.db2.gz QFQIIFZQSVBLFA-AWEZNQCLSA-N 0 3 399.503 0.872 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736858158 598514577 /nfs/dbraw/zinc/51/45/77/598514577.db2.gz QFQIIFZQSVBLFA-AWEZNQCLSA-N 0 3 399.503 0.872 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736858158 598514580 /nfs/dbraw/zinc/51/45/80/598514580.db2.gz QFQIIFZQSVBLFA-AWEZNQCLSA-N 0 3 399.503 0.872 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736856693 598516161 /nfs/dbraw/zinc/51/61/61/598516161.db2.gz LWUGTLAXOIGEBO-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736856693 598516163 /nfs/dbraw/zinc/51/61/63/598516163.db2.gz LWUGTLAXOIGEBO-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736856693 598516165 /nfs/dbraw/zinc/51/61/65/598516165.db2.gz LWUGTLAXOIGEBO-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736856693 598516167 /nfs/dbraw/zinc/51/61/67/598516167.db2.gz LWUGTLAXOIGEBO-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000736857583 598516398 /nfs/dbraw/zinc/51/63/98/598516398.db2.gz OSAOMUYENSITSM-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000736857583 598516400 /nfs/dbraw/zinc/51/64/00/598516400.db2.gz OSAOMUYENSITSM-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000736857583 598516402 /nfs/dbraw/zinc/51/64/02/598516402.db2.gz OSAOMUYENSITSM-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000736857583 598516404 /nfs/dbraw/zinc/51/64/04/598516404.db2.gz OSAOMUYENSITSM-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000819997317 607359615 /nfs/dbraw/zinc/35/96/15/607359615.db2.gz SVYDTRAQLKVSHY-OAHLLOKOSA-N 0 3 388.472 0.987 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CCc1ccc3c(c1)OCCO3)C2 ZINC000738420291 598519405 /nfs/dbraw/zinc/51/94/05/598519405.db2.gz CMHYRROIMJLQNF-CYBMUJFWSA-N 0 3 382.428 0.708 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CCc1ccc3c(c1)OCCO3)C2 ZINC000738420291 598519406 /nfs/dbraw/zinc/51/94/06/598519406.db2.gz CMHYRROIMJLQNF-CYBMUJFWSA-N 0 3 382.428 0.708 20 0 GCADHN O=C(C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Nc1ccc(F)c(F)c1 ZINC000737894528 598519740 /nfs/dbraw/zinc/51/97/40/598519740.db2.gz GFSADHYMWULZKN-SECBINFHSA-N 0 3 389.370 0.611 20 0 GCADHN Cc1ccc(C(=O)NCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1F ZINC000737312374 598522105 /nfs/dbraw/zinc/52/21/05/598522105.db2.gz IVKXVOYAKWFNFU-LBPRGKRZSA-N 0 3 399.434 0.572 20 0 GCADHN Cc1ccc(C(=O)NCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1F ZINC000737312374 598522107 /nfs/dbraw/zinc/52/21/07/598522107.db2.gz IVKXVOYAKWFNFU-LBPRGKRZSA-N 0 3 399.434 0.572 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]Cc1cccnc1N1CCOCC1)C2 ZINC000738445779 598522365 /nfs/dbraw/zinc/52/23/65/598522365.db2.gz OFHHITSENDLQMI-CYBMUJFWSA-N 0 3 396.459 0.126 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]Cc1cccnc1N1CCOCC1)C2 ZINC000738445779 598522366 /nfs/dbraw/zinc/52/23/66/598522366.db2.gz OFHHITSENDLQMI-CYBMUJFWSA-N 0 3 396.459 0.126 20 0 GCADHN c1cn(-c2ncccc2C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cn1 ZINC000738444967 598522484 /nfs/dbraw/zinc/52/24/84/598522484.db2.gz ANDKHEGJXVJOQA-GFCCVEGCSA-N 0 3 377.416 0.475 20 0 GCADHN c1cn(-c2ncccc2C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cn1 ZINC000738444967 598522486 /nfs/dbraw/zinc/52/24/86/598522486.db2.gz ANDKHEGJXVJOQA-GFCCVEGCSA-N 0 3 377.416 0.475 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]C1CCN(Cc3ccncc3)CC1)C2 ZINC000738413265 598523617 /nfs/dbraw/zinc/52/36/17/598523617.db2.gz RQZNVUSCCWTQDS-OAHLLOKOSA-N 0 3 394.487 0.754 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]C1CCN(Cc3ccncc3)CC1)C2 ZINC000738413265 598523619 /nfs/dbraw/zinc/52/36/19/598523619.db2.gz RQZNVUSCCWTQDS-OAHLLOKOSA-N 0 3 394.487 0.754 20 0 GCADHN FC(F)(F)CN1CC[C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737627749 598523825 /nfs/dbraw/zinc/52/38/25/598523825.db2.gz PMJKIADZUJXKNM-WDEREUQCSA-N 0 3 385.398 0.579 20 0 GCADHN FC(F)(F)CN1CC[C@@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737627749 598523826 /nfs/dbraw/zinc/52/38/26/598523826.db2.gz PMJKIADZUJXKNM-WDEREUQCSA-N 0 3 385.398 0.579 20 0 GCADHN COCCOc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737013869 598524924 /nfs/dbraw/zinc/52/49/24/598524924.db2.gz MHMUKGXFDXRFSQ-ZDUSSCGKSA-N 0 3 384.444 0.920 20 0 GCADHN COCCOc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737013869 598524925 /nfs/dbraw/zinc/52/49/25/598524925.db2.gz MHMUKGXFDXRFSQ-ZDUSSCGKSA-N 0 3 384.444 0.920 20 0 GCADHN OC[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Cc1ccc(F)cc1 ZINC000738388842 598525655 /nfs/dbraw/zinc/52/56/55/598525655.db2.gz HGNMTDXYOXMYOD-UONOGXRCSA-N 0 3 386.435 0.685 20 0 GCADHN OC[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Cc1ccc(F)cc1 ZINC000738388842 598525656 /nfs/dbraw/zinc/52/56/56/598525656.db2.gz HGNMTDXYOXMYOD-UONOGXRCSA-N 0 3 386.435 0.685 20 0 GCADHN CC(C)CC(=O)N1CCC([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000735759733 598525711 /nfs/dbraw/zinc/52/57/11/598525711.db2.gz XBCZHDBNXDITAV-ZDUSSCGKSA-N 0 3 387.492 0.732 20 0 GCADHN CC(C)CC(=O)N1CCC([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000735759733 598525713 /nfs/dbraw/zinc/52/57/13/598525713.db2.gz XBCZHDBNXDITAV-ZDUSSCGKSA-N 0 3 387.492 0.732 20 0 GCADHN Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737400952 598526461 /nfs/dbraw/zinc/52/64/61/598526461.db2.gz HQSXSOSLRCTWNQ-UONOGXRCSA-N 0 3 384.444 0.443 20 0 GCADHN Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737400952 598526462 /nfs/dbraw/zinc/52/64/62/598526462.db2.gz HQSXSOSLRCTWNQ-UONOGXRCSA-N 0 3 384.444 0.443 20 0 GCADHN O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000738354649 598526841 /nfs/dbraw/zinc/52/68/41/598526841.db2.gz JAGLLQOSUWDSPJ-CYBMUJFWSA-N 0 3 377.474 0.901 20 0 GCADHN CC(C)(C)OC(=O)NCC(C)(C)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735670382 598528367 /nfs/dbraw/zinc/52/83/67/598528367.db2.gz OOJXATVKQYYNBA-LLVKDONJSA-N 0 3 391.480 0.998 20 0 GCADHN CC(C)(C)OC(=O)NCC(C)(C)[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735670382 598528369 /nfs/dbraw/zinc/52/83/69/598528369.db2.gz OOJXATVKQYYNBA-LLVKDONJSA-N 0 3 391.480 0.998 20 0 GCADHN O=C(NCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1cccc(O)c1 ZINC000738067141 598529651 /nfs/dbraw/zinc/52/96/51/598529651.db2.gz ZWUWBEOTMURJIU-GFCCVEGCSA-N 0 3 397.443 0.220 20 0 GCADHN O=C(NCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1cccc(O)c1 ZINC000738067141 598529654 /nfs/dbraw/zinc/52/96/54/598529654.db2.gz ZWUWBEOTMURJIU-GFCCVEGCSA-N 0 3 397.443 0.220 20 0 GCADHN COc1cccc(N2CC[C@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)c1 ZINC000737137131 598529788 /nfs/dbraw/zinc/52/97/88/598529788.db2.gz AALKFLFFHUJLPR-KBPBESRZSA-N 0 3 395.471 0.982 20 0 GCADHN COc1cccc(N2CC[C@H]([NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)c1 ZINC000737137131 598529790 /nfs/dbraw/zinc/52/97/90/598529790.db2.gz AALKFLFFHUJLPR-KBPBESRZSA-N 0 3 395.471 0.982 20 0 GCADHN CCOC(=O)N[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)CC(C)C ZINC000736600183 598531673 /nfs/dbraw/zinc/53/16/73/598531673.db2.gz KQWMSYVLENRFNO-CHWSQXEVSA-N 0 3 391.480 0.855 20 0 GCADHN CCOC(=O)N[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)CC(C)C ZINC000736600183 598531675 /nfs/dbraw/zinc/53/16/75/598531675.db2.gz KQWMSYVLENRFNO-CHWSQXEVSA-N 0 3 391.480 0.855 20 0 GCADHN CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736745887 598568230 /nfs/dbraw/zinc/56/82/30/598568230.db2.gz JQJNCSXNSKHZKC-HOCLYGCPSA-N 0 3 395.471 0.394 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1c1ccccc1 ZINC000738294269 598596877 /nfs/dbraw/zinc/59/68/77/598596877.db2.gz BFHQYYFCTWZJTR-DOMZBBRYSA-N 0 3 379.428 0.500 20 0 GCADHN O=C1[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1c1ccccc1 ZINC000738294270 598597000 /nfs/dbraw/zinc/59/70/00/598597000.db2.gz BFHQYYFCTWZJTR-IUODEOHRSA-N 0 3 379.428 0.500 20 0 GCADHN C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736265360 598636603 /nfs/dbraw/zinc/63/66/03/598636603.db2.gz IMCSQXRGTNDUJP-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736265360 598636606 /nfs/dbraw/zinc/63/66/06/598636606.db2.gz IMCSQXRGTNDUJP-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736858800 598702093 /nfs/dbraw/zinc/70/20/93/598702093.db2.gz BQOUJYZSIPPKOG-GOSISDBHSA-N 0 3 398.515 0.907 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736858800 598702094 /nfs/dbraw/zinc/70/20/94/598702094.db2.gz BQOUJYZSIPPKOG-GOSISDBHSA-N 0 3 398.515 0.907 20 0 GCADHN CNS(=O)(=O)C1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736881665 598703809 /nfs/dbraw/zinc/70/38/09/598703809.db2.gz GNQYADKFIAOCGJ-UHFFFAOYSA-N 0 3 380.474 0.649 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736568338 598717053 /nfs/dbraw/zinc/71/70/53/598717053.db2.gz AIRKLCZJZKMAGT-MRXNPFEDSA-N 0 3 399.503 0.968 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736568338 598717054 /nfs/dbraw/zinc/71/70/54/598717054.db2.gz AIRKLCZJZKMAGT-MRXNPFEDSA-N 0 3 399.503 0.968 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](CCOc3ccccc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000735465776 599297994 /nfs/dbraw/zinc/29/79/94/599297994.db2.gz NJFJVUBNQZSHOI-YJBOKZPZSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](CCOc3ccccc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000735465776 599297997 /nfs/dbraw/zinc/29/79/97/599297997.db2.gz NJFJVUBNQZSHOI-YJBOKZPZSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](CCOc3ccccc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000735465776 599298000 /nfs/dbraw/zinc/29/80/00/599298000.db2.gz NJFJVUBNQZSHOI-YJBOKZPZSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](CCOc3ccccc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000735465776 599298003 /nfs/dbraw/zinc/29/80/03/599298003.db2.gz NJFJVUBNQZSHOI-YJBOKZPZSA-N 0 3 399.499 0.730 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1-c1nnn[n-]1 ZINC000737091464 599301655 /nfs/dbraw/zinc/30/16/55/599301655.db2.gz CGGQMFZKIMILPT-BXUZGUMPSA-N 0 3 380.474 0.635 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1-c1nn[n-]n1 ZINC000737091464 599301658 /nfs/dbraw/zinc/30/16/58/599301658.db2.gz CGGQMFZKIMILPT-BXUZGUMPSA-N 0 3 380.474 0.635 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1-c1nnn[n-]1 ZINC000737091467 599301827 /nfs/dbraw/zinc/30/18/27/599301827.db2.gz CGGQMFZKIMILPT-SMDDNHRTSA-N 0 3 380.474 0.635 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737091467 599301829 /nfs/dbraw/zinc/30/18/29/599301829.db2.gz CGGQMFZKIMILPT-SMDDNHRTSA-N 0 3 380.474 0.635 20 0 GCADHN COc1ccc(C[NH2+]CCC(=O)N2CCN(C(C)=O)CC2)cc1-c1nnn[n-]1 ZINC000821809331 599434433 /nfs/dbraw/zinc/43/44/33/599434433.db2.gz NKWKZPLSZYVGJU-UHFFFAOYSA-N 0 3 387.444 0.046 20 0 GCADHN COc1ccc(C[NH2+]CCC(=O)N2CCN(C(C)=O)CC2)cc1-c1nn[n-]n1 ZINC000821809331 599434435 /nfs/dbraw/zinc/43/44/35/599434435.db2.gz NKWKZPLSZYVGJU-UHFFFAOYSA-N 0 3 387.444 0.046 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821690313 599443864 /nfs/dbraw/zinc/44/38/64/599443864.db2.gz FNBWVESODRSIDK-CQSZACIVSA-N 0 3 375.433 0.265 20 0 GCADHN CN(C)C(=O)c1cccc(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821579622 599447461 /nfs/dbraw/zinc/44/74/61/599447461.db2.gz IMRXKLDUXKNXMA-AWEZNQCLSA-N 0 3 395.471 0.639 20 0 GCADHN CN(C)C(=O)c1cccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821579622 599447463 /nfs/dbraw/zinc/44/74/63/599447463.db2.gz IMRXKLDUXKNXMA-AWEZNQCLSA-N 0 3 395.471 0.639 20 0 GCADHN NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000737738565 599448277 /nfs/dbraw/zinc/44/82/77/599448277.db2.gz KCOCQKXBTIKVRK-QGZVFWFLSA-N 0 3 385.472 0.437 20 0 GCADHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(=O)N1c1ccccc1 ZINC000820656879 599453497 /nfs/dbraw/zinc/45/34/97/599453497.db2.gz HZDNJIWSSTYDLY-DVOMOZLQSA-N 0 3 393.455 0.889 20 0 GCADHN O=S1(=O)CCCN1CCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738356376 599488769 /nfs/dbraw/zinc/48/87/69/599488769.db2.gz APRPMSDTANSRNT-UHFFFAOYSA-N 0 3 376.446 0.030 20 0 GCADHN O=S1(=O)CCCN1CCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738356376 599488772 /nfs/dbraw/zinc/48/87/72/599488772.db2.gz APRPMSDTANSRNT-UHFFFAOYSA-N 0 3 376.446 0.030 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738024401 599493710 /nfs/dbraw/zinc/49/37/10/599493710.db2.gz KZVMDAXLNXSDGJ-INIZCTEOSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738024401 599493713 /nfs/dbraw/zinc/49/37/13/599493713.db2.gz KZVMDAXLNXSDGJ-INIZCTEOSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738024401 599493716 /nfs/dbraw/zinc/49/37/16/599493716.db2.gz KZVMDAXLNXSDGJ-INIZCTEOSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738024401 599493719 /nfs/dbraw/zinc/49/37/19/599493719.db2.gz KZVMDAXLNXSDGJ-INIZCTEOSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738052704 599515116 /nfs/dbraw/zinc/51/51/16/599515116.db2.gz COWYINAAZVMTBF-OAHLLOKOSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738052704 599515118 /nfs/dbraw/zinc/51/51/18/599515118.db2.gz COWYINAAZVMTBF-OAHLLOKOSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738052704 599515120 /nfs/dbraw/zinc/51/51/20/599515120.db2.gz COWYINAAZVMTBF-OAHLLOKOSA-N 0 3 387.444 0.158 20 0 GCADHN O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738052704 599515122 /nfs/dbraw/zinc/51/51/22/599515122.db2.gz COWYINAAZVMTBF-OAHLLOKOSA-N 0 3 387.444 0.158 20 0 GCADHN C[NH+](C)[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736756788 599577505 /nfs/dbraw/zinc/57/75/05/599577505.db2.gz LVQWEMZDKIWPOC-BEFAXECRSA-N 0 3 398.471 0.617 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000823696283 599586326 /nfs/dbraw/zinc/58/63/26/599586326.db2.gz CDBOFTWYFVCLPH-SJORKVTESA-N 0 3 388.472 0.403 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000823696283 599586328 /nfs/dbraw/zinc/58/63/28/599586328.db2.gz CDBOFTWYFVCLPH-SJORKVTESA-N 0 3 388.472 0.403 20 0 GCADHN CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000821109154 599606868 /nfs/dbraw/zinc/60/68/68/599606868.db2.gz AKYGHIMCBNLMNJ-UHFFFAOYSA-N 0 3 387.444 0.804 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821180387 599616059 /nfs/dbraw/zinc/61/60/59/599616059.db2.gz CLEPPJZIYJFQLZ-CYBMUJFWSA-N 0 3 387.444 0.757 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821180766 599617709 /nfs/dbraw/zinc/61/77/09/599617709.db2.gz HBZOZFPDFXMCEM-GFCCVEGCSA-N 0 3 375.408 0.887 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821180766 599617711 /nfs/dbraw/zinc/61/77/11/599617711.db2.gz HBZOZFPDFXMCEM-GFCCVEGCSA-N 0 3 375.408 0.887 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1-c1nnn[n-]1 ZINC000820155038 607437780 /nfs/dbraw/zinc/43/77/80/607437780.db2.gz ICKDHZPIPSUAET-LBPRGKRZSA-N 0 3 387.444 0.660 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1-c1nnn[n-]1 ZINC000820155038 607437781 /nfs/dbraw/zinc/43/77/81/607437781.db2.gz ICKDHZPIPSUAET-LBPRGKRZSA-N 0 3 387.444 0.660 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1-c1nn[n-]n1 ZINC000820155038 607437782 /nfs/dbraw/zinc/43/77/82/607437782.db2.gz ICKDHZPIPSUAET-LBPRGKRZSA-N 0 3 387.444 0.660 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1-c1nn[n-]n1 ZINC000820155038 607437783 /nfs/dbraw/zinc/43/77/83/607437783.db2.gz ICKDHZPIPSUAET-LBPRGKRZSA-N 0 3 387.444 0.660 20 0 GCADHN Cc1nc(CN(C)[C@H]2CC[N@H+](C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)no1 ZINC000822439806 607445462 /nfs/dbraw/zinc/44/54/62/607445462.db2.gz DGFVWTIXJIIZFK-STQMWFEESA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@H]2CC[N@@H+](C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)no1 ZINC000822439806 607445463 /nfs/dbraw/zinc/44/54/63/607445463.db2.gz DGFVWTIXJIIZFK-STQMWFEESA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@H]2CC[N@H+](C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)no1 ZINC000822439806 607445464 /nfs/dbraw/zinc/44/54/64/607445464.db2.gz DGFVWTIXJIIZFK-STQMWFEESA-N 0 3 399.463 0.003 20 0 GCADHN Cc1nc(CN(C)[C@H]2CC[N@@H+](C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)no1 ZINC000822439806 607445465 /nfs/dbraw/zinc/44/54/65/607445465.db2.gz DGFVWTIXJIIZFK-STQMWFEESA-N 0 3 399.463 0.003 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000821582872 607506241 /nfs/dbraw/zinc/50/62/41/607506241.db2.gz AQHAUGRRMUCTPW-AWEZNQCLSA-N 0 3 381.444 0.993 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000821582872 607506244 /nfs/dbraw/zinc/50/62/44/607506244.db2.gz AQHAUGRRMUCTPW-AWEZNQCLSA-N 0 3 381.444 0.993 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)cc1-c1nnn[n-]1 ZINC000826194729 607513376 /nfs/dbraw/zinc/51/33/76/607513376.db2.gz UOSBWQJAPBSASG-SGTLLEGYSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)cc1-c1nnn[n-]1 ZINC000826194729 607513377 /nfs/dbraw/zinc/51/33/77/607513377.db2.gz UOSBWQJAPBSASG-SGTLLEGYSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)cc1-c1nn[n-]n1 ZINC000826194729 607513378 /nfs/dbraw/zinc/51/33/78/607513378.db2.gz UOSBWQJAPBSASG-SGTLLEGYSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)cc1-c1nn[n-]n1 ZINC000826194729 607513379 /nfs/dbraw/zinc/51/33/79/607513379.db2.gz UOSBWQJAPBSASG-SGTLLEGYSA-N 0 3 385.428 0.685 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825848444 607525049 /nfs/dbraw/zinc/52/50/49/607525049.db2.gz CTLVKWPJJMYPLS-IKGGRYGDSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825848444 607525052 /nfs/dbraw/zinc/52/50/52/607525052.db2.gz CTLVKWPJJMYPLS-IKGGRYGDSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825849398 607525670 /nfs/dbraw/zinc/52/56/70/607525670.db2.gz LDEQXRPZXUIUMR-SQNIBIBYSA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825849398 607525671 /nfs/dbraw/zinc/52/56/71/607525671.db2.gz LDEQXRPZXUIUMR-SQNIBIBYSA-N 0 3 399.499 0.666 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825848274 607555926 /nfs/dbraw/zinc/55/59/26/607555926.db2.gz BLXMWITUTRVMJF-BMFZPTHFSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825848274 607555927 /nfs/dbraw/zinc/55/59/27/607555927.db2.gz BLXMWITUTRVMJF-BMFZPTHFSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825848277 607556064 /nfs/dbraw/zinc/55/60/64/607556064.db2.gz BLXMWITUTRVMJF-VNQPRFMTSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825848277 607556066 /nfs/dbraw/zinc/55/60/66/607556066.db2.gz BLXMWITUTRVMJF-VNQPRFMTSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000825850312 607615042 /nfs/dbraw/zinc/61/50/42/607615042.db2.gz OWAWAIDPTJLXIS-OIISXLGYSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000825850312 607615043 /nfs/dbraw/zinc/61/50/43/607615043.db2.gz OWAWAIDPTJLXIS-OIISXLGYSA-N 0 3 386.456 0.956 20 0 GCADHN COCCN(CC[NH+](C)C)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826158369 607625627 /nfs/dbraw/zinc/62/56/27/607625627.db2.gz MRGAWQAVGWVBJT-UHFFFAOYSA-N 0 3 377.449 0.595 20 0 GCADHN COCCN(CC[NH+](C)C)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826158369 607625629 /nfs/dbraw/zinc/62/56/29/607625629.db2.gz MRGAWQAVGWVBJT-UHFFFAOYSA-N 0 3 377.449 0.595 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826490721 607634746 /nfs/dbraw/zinc/63/47/46/607634746.db2.gz FODLEYPXNXHJKY-GFCCVEGCSA-N 0 3 398.464 0.521 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826490721 607634747 /nfs/dbraw/zinc/63/47/47/607634747.db2.gz FODLEYPXNXHJKY-GFCCVEGCSA-N 0 3 398.464 0.521 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826490721 607634748 /nfs/dbraw/zinc/63/47/48/607634748.db2.gz FODLEYPXNXHJKY-GFCCVEGCSA-N 0 3 398.464 0.521 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826491047 607634916 /nfs/dbraw/zinc/63/49/16/607634916.db2.gz RKSJCLRYOUMQQQ-ZDUSSCGKSA-N 0 3 398.464 0.521 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826491047 607634918 /nfs/dbraw/zinc/63/49/18/607634918.db2.gz RKSJCLRYOUMQQQ-ZDUSSCGKSA-N 0 3 398.464 0.521 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826490721 607634745 /nfs/dbraw/zinc/63/47/45/607634745.db2.gz FODLEYPXNXHJKY-GFCCVEGCSA-N 0 3 398.464 0.521 20 0 GCADHN CC(C)[NH+]1CCN(C2CCN(CC(=O)N3CCC(C(=O)[O-])CC3)CC2)CC1 ZINC000833498900 604939069 /nfs/dbraw/zinc/93/90/69/604939069.db2.gz JIEYDFWVTSXRHD-UHFFFAOYSA-N 0 3 380.533 0.800 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000833627535 605205951 /nfs/dbraw/zinc/20/59/51/605205951.db2.gz XQVPGOBMVJKCKR-OAHLLOKOSA-N 0 3 375.473 0.454 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000833627535 605205953 /nfs/dbraw/zinc/20/59/53/605205953.db2.gz XQVPGOBMVJKCKR-OAHLLOKOSA-N 0 3 375.473 0.454 20 0 GCADHN O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000826416991 607753168 /nfs/dbraw/zinc/75/31/68/607753168.db2.gz ZBIXDKAOPYASHL-QGZVFWFLSA-N 0 3 386.456 0.959 20 0 GCADHN CC(C)(O)C[N@H+](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000819992094 606081010 /nfs/dbraw/zinc/08/10/10/606081010.db2.gz QGEKTHLHGRRNEZ-UHFFFAOYSA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)(O)C[N@@H+](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000819992094 606081014 /nfs/dbraw/zinc/08/10/14/606081014.db2.gz QGEKTHLHGRRNEZ-UHFFFAOYSA-N 0 3 388.472 0.735 20 0 GCADHN COC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821680354 606153441 /nfs/dbraw/zinc/15/34/41/606153441.db2.gz HBBCELIYBQRTJN-KRWDZBQOSA-N 0 3 376.417 0.753 20 0 GCADHN O=C(CN1CCN(C2CCOCC2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822996184 606159901 /nfs/dbraw/zinc/15/99/01/606159901.db2.gz AMXSHFKLQYUQCU-UHFFFAOYSA-N 0 3 385.472 0.280 20 0 GCADHN C[NH+](C)CCn1cc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000821587262 606161509 /nfs/dbraw/zinc/16/15/09/606161509.db2.gz NZOYTFCXODVHAN-UHFFFAOYSA-N 0 3 385.436 0.253 20 0 GCADHN C[NH+](C)CCOC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000821587002 606163255 /nfs/dbraw/zinc/16/32/55/606163255.db2.gz BAINAHHMYBMXCL-UHFFFAOYSA-N 0 3 395.489 0.061 20 0 GCADHN C[NH+](C)CCOC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000821587002 606163257 /nfs/dbraw/zinc/16/32/57/606163257.db2.gz BAINAHHMYBMXCL-UHFFFAOYSA-N 0 3 395.489 0.061 20 0 GCADHN C[NH+](C)[C@@]1(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCSC1 ZINC000821581516 606300680 /nfs/dbraw/zinc/30/06/80/606300680.db2.gz NQNZEUAILWIOGB-QGZVFWFLSA-N 0 3 389.485 0.150 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000821651493 606321127 /nfs/dbraw/zinc/32/11/27/606321127.db2.gz AFMNJYGSZFXKQK-GUYCJALGSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000821651493 606321129 /nfs/dbraw/zinc/32/11/29/606321129.db2.gz AFMNJYGSZFXKQK-GUYCJALGSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000821651493 606321131 /nfs/dbraw/zinc/32/11/31/606321131.db2.gz AFMNJYGSZFXKQK-GUYCJALGSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000821651493 606321133 /nfs/dbraw/zinc/32/11/33/606321133.db2.gz AFMNJYGSZFXKQK-GUYCJALGSA-N 0 3 388.472 0.858 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820759775 606333471 /nfs/dbraw/zinc/33/34/71/606333471.db2.gz NPJBZHCATYCUOH-GXTWGEPZSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820759775 606333473 /nfs/dbraw/zinc/33/34/73/606333473.db2.gz NPJBZHCATYCUOH-GXTWGEPZSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820759775 606333475 /nfs/dbraw/zinc/33/34/75/606333475.db2.gz NPJBZHCATYCUOH-GXTWGEPZSA-N 0 3 391.501 0.909 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820759775 606333477 /nfs/dbraw/zinc/33/34/77/606333477.db2.gz NPJBZHCATYCUOH-GXTWGEPZSA-N 0 3 391.501 0.909 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000821575918 606541008 /nfs/dbraw/zinc/54/10/08/606541008.db2.gz VHGFPOSGQNRCRN-UHFFFAOYSA-N 0 3 377.474 0.601 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000821575918 606541010 /nfs/dbraw/zinc/54/10/10/606541010.db2.gz VHGFPOSGQNRCRN-UHFFFAOYSA-N 0 3 377.474 0.601 20 0 GCADHN O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)NC1CC[NH+](C2CC2)CC1 ZINC000823022377 606565989 /nfs/dbraw/zinc/56/59/89/606565989.db2.gz FAWIPIROHVDJCU-UHFFFAOYSA-N 0 3 376.442 0.828 20 0 GCADHN O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)NC1CC[NH+](C2CC2)CC1 ZINC000823022377 606565990 /nfs/dbraw/zinc/56/59/90/606565990.db2.gz FAWIPIROHVDJCU-UHFFFAOYSA-N 0 3 376.442 0.828 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820995596 606600109 /nfs/dbraw/zinc/60/01/09/606600109.db2.gz UQDJHVMJTDONQK-HOTGVXAUSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820995596 606600110 /nfs/dbraw/zinc/60/01/10/606600110.db2.gz UQDJHVMJTDONQK-HOTGVXAUSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820995596 606600111 /nfs/dbraw/zinc/60/01/11/606600111.db2.gz UQDJHVMJTDONQK-HOTGVXAUSA-N 0 3 383.456 0.682 20 0 GCADHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820995596 606600112 /nfs/dbraw/zinc/60/01/12/606600112.db2.gz UQDJHVMJTDONQK-HOTGVXAUSA-N 0 3 383.456 0.682 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821581189 606603715 /nfs/dbraw/zinc/60/37/15/606603715.db2.gz FFKPYWOFDRHOQE-HUUCEWRRSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821581189 606603717 /nfs/dbraw/zinc/60/37/17/606603717.db2.gz FFKPYWOFDRHOQE-HUUCEWRRSA-N 0 3 399.503 0.966 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000819876949 606623226 /nfs/dbraw/zinc/62/32/26/606623226.db2.gz KWAXFDLSUZNCPD-LSDHHAIUSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[N@@H+]1C1CC1 ZINC000820658554 606624702 /nfs/dbraw/zinc/62/47/02/606624702.db2.gz TWODGSBZFIAKKU-YPMHNXCESA-N 0 3 393.455 0.990 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[N@H+]1C1CC1 ZINC000820658554 606624704 /nfs/dbraw/zinc/62/47/04/606624704.db2.gz TWODGSBZFIAKKU-YPMHNXCESA-N 0 3 393.455 0.990 20 0 GCADHN C[C@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C[NH+](C)C ZINC000820365532 606639990 /nfs/dbraw/zinc/63/99/90/606639990.db2.gz KTAFJDZNLJXBPC-LBPRGKRZSA-N 0 3 375.481 0.949 20 0 GCADHN C[C@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C[NH+](C)C ZINC000820365532 606639991 /nfs/dbraw/zinc/63/99/91/606639991.db2.gz KTAFJDZNLJXBPC-LBPRGKRZSA-N 0 3 375.481 0.949 20 0 GCADHN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820649896 606701957 /nfs/dbraw/zinc/70/19/57/606701957.db2.gz PCHFHYFVKYVNGZ-UPJWGTAASA-N 0 3 389.508 0.929 20 0 GCADHN C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000820649896 606701958 /nfs/dbraw/zinc/70/19/58/606701958.db2.gz PCHFHYFVKYVNGZ-UPJWGTAASA-N 0 3 389.508 0.929 20 0 GCADHN COC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821680708 606709365 /nfs/dbraw/zinc/70/93/65/606709365.db2.gz RJTSUVMKZZLOSO-OAHLLOKOSA-N 0 3 382.446 0.815 20 0 GCADHN COC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821680708 606709367 /nfs/dbraw/zinc/70/93/67/606709367.db2.gz RJTSUVMKZZLOSO-OAHLLOKOSA-N 0 3 382.446 0.815 20 0 GCADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823201889 606740120 /nfs/dbraw/zinc/74/01/20/606740120.db2.gz OASVTHMUYHANKV-UHFFFAOYSA-N 0 3 386.803 0.504 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H]1CN(CC)C[C@@H]1C ZINC000821401260 606750544 /nfs/dbraw/zinc/75/05/44/606750544.db2.gz UDMLEUULMHFBLV-FZMZJTMJSA-N 0 3 387.444 0.660 20 0 GCADHN O=S(=O)(CCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823561552 606751132 /nfs/dbraw/zinc/75/11/32/606751132.db2.gz FIRDSXJFKNQJBD-UHFFFAOYSA-N 0 3 399.480 0.858 20 0 GCADHN O=S(=O)(CCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823561552 606751133 /nfs/dbraw/zinc/75/11/33/606751133.db2.gz FIRDSXJFKNQJBD-UHFFFAOYSA-N 0 3 399.480 0.858 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821585916 606751186 /nfs/dbraw/zinc/75/11/86/606751186.db2.gz AGEANBDKBAOORQ-UHFFFAOYSA-N 0 3 383.412 0.989 20 0 GCADHN CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000821932421 606774030 /nfs/dbraw/zinc/77/40/30/606774030.db2.gz LYSJUBWUPNXSND-FZMZJTMJSA-N 0 3 390.473 0.322 20 0 GCADHN CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000821932421 606774032 /nfs/dbraw/zinc/77/40/32/606774032.db2.gz LYSJUBWUPNXSND-FZMZJTMJSA-N 0 3 390.473 0.322 20 0 GCADHN COc1ccccc1N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000821897766 606774264 /nfs/dbraw/zinc/77/42/64/606774264.db2.gz KJXHCDUWPWEMOR-KBPBESRZSA-N 0 3 395.471 0.982 20 0 GCADHN COc1ccccc1N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000821897766 606774267 /nfs/dbraw/zinc/77/42/67/606774267.db2.gz KJXHCDUWPWEMOR-KBPBESRZSA-N 0 3 395.471 0.982 20 0 GCADHN OCCCOC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823722453 606777012 /nfs/dbraw/zinc/77/70/12/606777012.db2.gz QOXLTOAMPJZPSX-HNNXBMFYSA-N 0 3 377.445 0.470 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C[C@H]1[NH+](C)C ZINC000820734220 606837582 /nfs/dbraw/zinc/83/75/82/606837582.db2.gz LUSDKPJWSVWGQF-NOZJJQNGSA-N 0 3 377.836 0.867 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C[C@H]1[NH+](C)C ZINC000820734220 606837584 /nfs/dbraw/zinc/83/75/84/606837584.db2.gz LUSDKPJWSVWGQF-NOZJJQNGSA-N 0 3 377.836 0.867 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000821400572 606837682 /nfs/dbraw/zinc/83/76/82/606837682.db2.gz LPNSIFLIBHLTPF-RISCZKNCSA-N 0 3 387.444 0.612 20 0 GCADHN COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696499 606863180 /nfs/dbraw/zinc/86/31/80/606863180.db2.gz FSSGTMBYQLZANP-FZMZJTMJSA-N 0 3 397.443 0.536 20 0 GCADHN COCc1nc2n(n1)C[C@H]([NH2+]Cc1cnc3ccc(-c4nn[n-]n4)cn13)CC2 ZINC000821696820 606869733 /nfs/dbraw/zinc/86/97/33/606869733.db2.gz QRCSVGRTXJPKEU-GFCCVEGCSA-N 0 3 380.416 0.357 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C[C@H]2C)CC1 ZINC000819796470 606904733 /nfs/dbraw/zinc/90/47/33/606904733.db2.gz JFWLUKXRIUFTNI-NIKGAXFTSA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C[C@H]2C)CC1 ZINC000819796470 606904734 /nfs/dbraw/zinc/90/47/34/606904734.db2.gz JFWLUKXRIUFTNI-NIKGAXFTSA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C[C@H]2C)CC1 ZINC000819796470 606904737 /nfs/dbraw/zinc/90/47/37/606904737.db2.gz JFWLUKXRIUFTNI-NIKGAXFTSA-N 0 3 399.499 0.385 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C[C@H]2C)CC1 ZINC000819796470 606904739 /nfs/dbraw/zinc/90/47/39/606904739.db2.gz JFWLUKXRIUFTNI-NIKGAXFTSA-N 0 3 399.499 0.385 20 0 GCADHN C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820751297 606913984 /nfs/dbraw/zinc/91/39/84/606913984.db2.gz FQQMPYIALQBRRE-BDJLRTHQSA-N 0 3 393.455 0.847 20 0 GCADHN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820751297 606913985 /nfs/dbraw/zinc/91/39/85/606913985.db2.gz FQQMPYIALQBRRE-BDJLRTHQSA-N 0 3 393.455 0.847 20 0 GCADHN CCc1nnc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821529783 606935734 /nfs/dbraw/zinc/93/57/34/606935734.db2.gz ZLAOTVCPNMUFAE-CQSZACIVSA-N 0 3 385.520 0.998 20 0 GCADHN CCc1nnc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821529783 606935735 /nfs/dbraw/zinc/93/57/35/606935735.db2.gz ZLAOTVCPNMUFAE-CQSZACIVSA-N 0 3 385.520 0.998 20 0 GCADHN CCc1nnc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821529783 606935736 /nfs/dbraw/zinc/93/57/36/606935736.db2.gz ZLAOTVCPNMUFAE-CQSZACIVSA-N 0 3 385.520 0.998 20 0 GCADHN CCc1nnc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821529783 606935737 /nfs/dbraw/zinc/93/57/37/606935737.db2.gz ZLAOTVCPNMUFAE-CQSZACIVSA-N 0 3 385.520 0.998 20 0 GCADHN CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)c(C)c3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000819797026 607027334 /nfs/dbraw/zinc/02/73/34/607027334.db2.gz ROXGRUSDBMZCSA-LRDDRELGSA-N 0 3 399.503 0.652 20 0 GCADHN CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C)c(C)c3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000819797026 607027336 /nfs/dbraw/zinc/02/73/36/607027336.db2.gz ROXGRUSDBMZCSA-LRDDRELGSA-N 0 3 399.503 0.652 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625432 607031118 /nfs/dbraw/zinc/03/11/18/607031118.db2.gz NMSOAAKPLPNOCP-SMDDNHRTSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)CC[C@H]21 ZINC000821625432 607031120 /nfs/dbraw/zinc/03/11/20/607031120.db2.gz NMSOAAKPLPNOCP-SMDDNHRTSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625432 607031122 /nfs/dbraw/zinc/03/11/22/607031122.db2.gz NMSOAAKPLPNOCP-SMDDNHRTSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)CC[C@H]21 ZINC000821625432 607031124 /nfs/dbraw/zinc/03/11/24/607031124.db2.gz NMSOAAKPLPNOCP-SMDDNHRTSA-N 0 3 377.474 0.435 20 0 GCADHN C[N@H+](CCOc1ccccc1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821605180 607091484 /nfs/dbraw/zinc/09/14/84/607091484.db2.gz YPGNXLGRAVBVPP-UHFFFAOYSA-N 0 3 380.474 0.601 20 0 GCADHN C[N@@H+](CCOc1ccccc1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821605180 607091487 /nfs/dbraw/zinc/09/14/87/607091487.db2.gz YPGNXLGRAVBVPP-UHFFFAOYSA-N 0 3 380.474 0.601 20 0 GCADHN C[N@H+](CCOc1ccccc1-c1nn[n-]n1)C1CCN(S(C)(=O)=O)CC1 ZINC000821605180 607091488 /nfs/dbraw/zinc/09/14/88/607091488.db2.gz YPGNXLGRAVBVPP-UHFFFAOYSA-N 0 3 380.474 0.601 20 0 GCADHN C[N@@H+](CCOc1ccccc1-c1nn[n-]n1)C1CCN(S(C)(=O)=O)CC1 ZINC000821605180 607091490 /nfs/dbraw/zinc/09/14/90/607091490.db2.gz YPGNXLGRAVBVPP-UHFFFAOYSA-N 0 3 380.474 0.601 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC[C@@H]21 ZINC000821625149 607095290 /nfs/dbraw/zinc/09/52/90/607095290.db2.gz GQCFVBAZHNVDCC-ABAIWWIYSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC[C@@H]21 ZINC000821625149 607095292 /nfs/dbraw/zinc/09/52/92/607095292.db2.gz GQCFVBAZHNVDCC-ABAIWWIYSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC[C@@H]21 ZINC000821625149 607095293 /nfs/dbraw/zinc/09/52/93/607095293.db2.gz GQCFVBAZHNVDCC-ABAIWWIYSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC[C@@H]21 ZINC000821625149 607095295 /nfs/dbraw/zinc/09/52/95/607095295.db2.gz GQCFVBAZHNVDCC-ABAIWWIYSA-N 0 3 387.419 0.887 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC[NH2+]C(C)(C)C ZINC000820451233 607156394 /nfs/dbraw/zinc/15/63/94/607156394.db2.gz SXYVWXUSZQMVNR-NSHDSACASA-N 0 3 395.489 0.038 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[NH2+]C(C)(C)C ZINC000820451233 607156395 /nfs/dbraw/zinc/15/63/95/607156395.db2.gz SXYVWXUSZQMVNR-NSHDSACASA-N 0 3 395.489 0.038 20 0 GCADHN COC(=O)CC1([NH2+]CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000821659278 607176429 /nfs/dbraw/zinc/17/64/29/607176429.db2.gz XYKKANQPVGBKSR-UHFFFAOYSA-N 0 3 388.428 0.185 20 0 GCADHN C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000821579477 607181718 /nfs/dbraw/zinc/18/17/18/607181718.db2.gz CFAZMPHQAMTMOB-CYBMUJFWSA-N 0 3 377.836 0.915 20 0 GCADHN OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000826507506 607820882 /nfs/dbraw/zinc/82/08/82/607820882.db2.gz PZFRIOSXPNMVRY-INWMFGNUSA-N 0 3 384.444 0.179 20 0 GCADHN OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000826507506 607820883 /nfs/dbraw/zinc/82/08/83/607820883.db2.gz PZFRIOSXPNMVRY-INWMFGNUSA-N 0 3 384.444 0.179 20 0 GCADHN C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000826021949 607928677 /nfs/dbraw/zinc/92/86/77/607928677.db2.gz GDGBJHNBSBEVLR-OAHLLOKOSA-N 0 3 383.456 0.996 20 0 GCADHN C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000826021949 607928678 /nfs/dbraw/zinc/92/86/78/607928678.db2.gz GDGBJHNBSBEVLR-OAHLLOKOSA-N 0 3 383.456 0.996 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccccc2)N(C)C)c1-c1nnn[n-]1 ZINC000826073101 608019356 /nfs/dbraw/zinc/01/93/56/608019356.db2.gz DWKPRXALONMEIY-OAHLLOKOSA-N 0 3 383.460 0.983 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccccc2)N(C)C)c1-c1nn[n-]n1 ZINC000826073101 608019357 /nfs/dbraw/zinc/01/93/57/608019357.db2.gz DWKPRXALONMEIY-OAHLLOKOSA-N 0 3 383.460 0.983 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3ccnc3)nc2)c1-c1nnn[n-]1 ZINC000826083596 608021488 /nfs/dbraw/zinc/02/14/88/608021488.db2.gz OCNLLDMELWMPMX-UHFFFAOYSA-N 0 3 393.415 0.575 20 0 GCADHN COCCN(C)CCNC(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826157903 608063110 /nfs/dbraw/zinc/06/31/10/608063110.db2.gz QQRXUZDMQONESF-INIZCTEOSA-N 0 3 389.460 0.528 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nnn[n-]2)cn1 ZINC000826432039 608076031 /nfs/dbraw/zinc/07/60/31/608076031.db2.gz QGUAKIFVUMXSSB-IRXDYDNUSA-N 0 3 393.451 0.875 20 0 GCADHN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nnn[n-]2)cn1 ZINC000826432039 608076032 /nfs/dbraw/zinc/07/60/32/608076032.db2.gz QGUAKIFVUMXSSB-IRXDYDNUSA-N 0 3 393.451 0.875 20 0 GCADHN O=C([C@H]1CN2CCN1CCC2)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826398689 608123025 /nfs/dbraw/zinc/12/30/25/608123025.db2.gz CDBXCNRKAPFUKI-GOSISDBHSA-N 0 3 397.483 0.626 20 0 GCADHN O=C(CC[NH+]1CCC2(COC(=O)N2)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000826407729 608126787 /nfs/dbraw/zinc/12/67/87/608126787.db2.gz YDDHMMFXUOPGKZ-UHFFFAOYSA-N 0 3 377.430 0.831 20 0 GCADHN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000825870667 608212566 /nfs/dbraw/zinc/21/25/66/608212566.db2.gz XMQMBKAJWDVWFL-UHFFFAOYSA-N 0 3 383.460 0.938 20 0 GCADHN Cc1ccc(-c2nn[nH]n2)c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1 ZINC000826275272 608285352 /nfs/dbraw/zinc/28/53/52/608285352.db2.gz VCTKFFBOZYLUHR-MRXNPFEDSA-N 0 3 386.504 0.801 20 0 GCADHN C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824947545 608354840 /nfs/dbraw/zinc/35/48/40/608354840.db2.gz OMKFLLYGROGILZ-NSHDSACASA-N 0 3 389.464 0.357 20 0 GCADHN C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824947545 608354842 /nfs/dbraw/zinc/35/48/42/608354842.db2.gz OMKFLLYGROGILZ-NSHDSACASA-N 0 3 389.464 0.357 20 0 GCADHN CC[N@H+]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000825444413 608356787 /nfs/dbraw/zinc/35/67/87/608356787.db2.gz MTLVJNBKWGXWOT-JQWIXIFHSA-N 0 3 389.464 0.213 20 0 GCADHN CC[N@@H+]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000825444413 608356789 /nfs/dbraw/zinc/35/67/89/608356789.db2.gz MTLVJNBKWGXWOT-JQWIXIFHSA-N 0 3 389.464 0.213 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000826394442 608370425 /nfs/dbraw/zinc/37/04/25/608370425.db2.gz KEUIHZAYEFDXHC-LBPRGKRZSA-N 0 3 377.474 0.579 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000826394442 608370427 /nfs/dbraw/zinc/37/04/27/608370427.db2.gz KEUIHZAYEFDXHC-LBPRGKRZSA-N 0 3 377.474 0.579 20 0 GCADHN CCc1nnc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000825768006 608435406 /nfs/dbraw/zinc/43/54/06/608435406.db2.gz XUCVXBKUCPBLPO-HNNXBMFYSA-N 0 3 399.503 0.700 20 0 GCADHN CCc1nnc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000825768006 608435409 /nfs/dbraw/zinc/43/54/09/608435409.db2.gz XUCVXBKUCPBLPO-HNNXBMFYSA-N 0 3 399.503 0.700 20 0 GCADHN CCc1nnc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000825768006 608435410 /nfs/dbraw/zinc/43/54/10/608435410.db2.gz XUCVXBKUCPBLPO-HNNXBMFYSA-N 0 3 399.503 0.700 20 0 GCADHN CCc1nnc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000825768006 608435413 /nfs/dbraw/zinc/43/54/13/608435413.db2.gz XUCVXBKUCPBLPO-HNNXBMFYSA-N 0 3 399.503 0.700 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826160077 608620772 /nfs/dbraw/zinc/62/07/72/608620772.db2.gz DOQWVOBCQLQSOL-UKRRQHHQSA-N 0 3 398.471 0.878 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826160077 608620774 /nfs/dbraw/zinc/62/07/74/608620774.db2.gz DOQWVOBCQLQSOL-UKRRQHHQSA-N 0 3 398.471 0.878 20 0 GCADHN Cc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258933 609164855 /nfs/dbraw/zinc/16/48/55/609164855.db2.gz BNSBYIZZZGGEPN-SFHVURJKSA-N 0 3 384.444 0.403 20 0 GCADHN Cc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258933 609164856 /nfs/dbraw/zinc/16/48/56/609164856.db2.gz BNSBYIZZZGGEPN-SFHVURJKSA-N 0 3 384.444 0.403 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826028951 609231578 /nfs/dbraw/zinc/23/15/78/609231578.db2.gz LCQNHANJIWISDN-IAGOWNOFSA-N 0 3 385.472 0.139 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826028951 609231579 /nfs/dbraw/zinc/23/15/79/609231579.db2.gz LCQNHANJIWISDN-IAGOWNOFSA-N 0 3 385.472 0.139 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825850839 609253885 /nfs/dbraw/zinc/25/38/85/609253885.db2.gz STNAHDNUPOHMFQ-QBPKDAKJSA-N 0 3 386.456 0.610 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825850839 609253887 /nfs/dbraw/zinc/25/38/87/609253887.db2.gz STNAHDNUPOHMFQ-QBPKDAKJSA-N 0 3 386.456 0.610 20 0 GCADHN C[NH+](C)CCOc1cc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825870690 609257308 /nfs/dbraw/zinc/25/73/08/609257308.db2.gz YJNRQIFDWWYCMT-KRWDZBQOSA-N 0 3 397.439 0.552 20 0 GCADHN COc1cccc([C@H](CO)NC[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826214325 609426778 /nfs/dbraw/zinc/42/67/78/609426778.db2.gz IDHDCHLMVHIPQK-QAPCUYQASA-N 0 3 385.424 0.938 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@@H]2CO)c1Br ZINC000866844694 638430821 /nfs/dbraw/zinc/43/08/21/638430821.db2.gz UQWCFMQWZGZIQG-LLVKDONJSA-N 0 3 395.323 0.698 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@@H]2CO)c1Br ZINC000866844694 638430827 /nfs/dbraw/zinc/43/08/27/638430827.db2.gz UQWCFMQWZGZIQG-LLVKDONJSA-N 0 3 395.323 0.698 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)C[C@H](C)N1 ZINC000843344400 638447868 /nfs/dbraw/zinc/44/78/68/638447868.db2.gz YYTZOTXVNDIFBU-KNVOCYPGSA-N 0 3 382.305 0.980 20 0 GCADHN CCCCN1CCC(NS(=O)(=O)N2CCN(C(=O)OCC)CC2)CC1 ZINC000068903202 638492110 /nfs/dbraw/zinc/49/21/10/638492110.db2.gz ARWNOCSBJAOKDZ-UHFFFAOYSA-N 0 3 376.523 0.859 20 0 GCADHN C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000262440966 638569285 /nfs/dbraw/zinc/56/92/85/638569285.db2.gz ATOYUVJSBNCHLR-QMMMGPOBSA-N 0 3 375.394 0.153 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000925614762 638621042 /nfs/dbraw/zinc/62/10/42/638621042.db2.gz KJHQYTTUKVFLFU-UONOGXRCSA-N 0 3 377.507 0.636 20 0 GCADHN Cn1cc(CNC[C@@H]2CCN(S(C)(=O)=O)C2)c(I)n1 ZINC000894359458 638695531 /nfs/dbraw/zinc/69/55/31/638695531.db2.gz PKYBCTNVIDZHKN-VIFPVBQESA-N 0 3 398.270 0.396 20 0 GCADHN Cn1cc(CNC[C@H]2CCN(S(C)(=O)=O)C2)c(I)n1 ZINC000894359457 638695850 /nfs/dbraw/zinc/69/58/50/638695850.db2.gz PKYBCTNVIDZHKN-SECBINFHSA-N 0 3 398.270 0.396 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)s1 ZINC000894356812 638695960 /nfs/dbraw/zinc/69/59/60/638695960.db2.gz NDMMFLNVWYSRQT-KGLIPLIRSA-N 0 3 387.527 0.892 20 0 GCADHN O=C(NCCn1cc(Br)cn1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894801211 638711482 /nfs/dbraw/zinc/71/14/82/638711482.db2.gz WJDHYYBYNVBGMU-KBPBESRZSA-N 0 3 386.294 0.886 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000262116567 638726247 /nfs/dbraw/zinc/72/62/47/638726247.db2.gz INSOYQBDFWNCBL-LBPRGKRZSA-N 0 3 391.515 0.735 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000262149633 638732162 /nfs/dbraw/zinc/73/21/62/638732162.db2.gz RBLQHBFVIBFTQV-GFCCVEGCSA-N 0 3 377.488 0.487 20 0 GCADHN CN(CCNCc1c(I)cnn1C)CCOCCO ZINC000895662058 639027757 /nfs/dbraw/zinc/02/77/57/639027757.db2.gz LJRUIZMHYIZZCJ-UHFFFAOYSA-N 0 3 382.246 0.055 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)c1c[nH]nc1I ZINC000896138039 639039975 /nfs/dbraw/zinc/03/99/75/639039975.db2.gz LPPBKHYVDWIYTC-VIFPVBQESA-N 0 3 378.214 0.855 20 0 GCADHN Cn1cc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c(Br)n1 ZINC000896585627 639055092 /nfs/dbraw/zinc/05/50/92/639055092.db2.gz VWQITWLAUDZFKG-QWHCGFSZSA-N 0 3 386.294 0.923 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)c1c[nH]nc1I ZINC000897878214 639212786 /nfs/dbraw/zinc/21/27/86/639212786.db2.gz ZQMYTYSARAFDHZ-VIFPVBQESA-N 0 3 378.214 0.591 20 0 GCADHN COC(=O)CN1CCC(N[C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897979145 639218395 /nfs/dbraw/zinc/21/83/95/639218395.db2.gz WZOPQOIXMZICMM-ZDUSSCGKSA-N 0 3 397.273 0.934 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]nc1I ZINC000898089189 639219845 /nfs/dbraw/zinc/21/98/45/639219845.db2.gz YFDRYGOTHLEGNC-MRVPVSSYSA-N 0 3 391.213 0.206 20 0 GCADHN CN(CCO)CCNC(=O)COc1ccc(I)cc1 ZINC000899726272 639272642 /nfs/dbraw/zinc/27/26/42/639272642.db2.gz IRIGERYHVOODJQ-UHFFFAOYSA-N 0 3 378.210 0.710 20 0 GCADHN CN(CCO)CCNC(=O)c1ccnc(Cl)c1I ZINC000899736694 639273393 /nfs/dbraw/zinc/27/33/93/639273393.db2.gz PVHBRYCKFLRORD-UHFFFAOYSA-N 0 3 383.617 0.994 20 0 GCADHN C[C@@](O)(CNCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C(F)F ZINC000905051000 639290180 /nfs/dbraw/zinc/29/01/80/639290180.db2.gz XUPUOBJWORQIFW-OAHLLOKOSA-N 0 3 378.445 0.139 20 0 GCADHN Cn1cc(C(=O)NCCCN2CCN(C)CC2)c(I)n1 ZINC000905336561 639299051 /nfs/dbraw/zinc/29/90/51/639299051.db2.gz SNVYFNWYDKGSRZ-UHFFFAOYSA-N 0 3 391.257 0.392 20 0 GCADHN COCCN1CCC(NC(=O)c2cn(C)nc2I)CC1 ZINC000906417002 639321329 /nfs/dbraw/zinc/32/13/29/639321329.db2.gz SWYFYKUULMORHV-UHFFFAOYSA-N 0 3 392.241 0.865 20 0 GCADHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000907568214 639400989 /nfs/dbraw/zinc/40/09/89/639400989.db2.gz UXYKPYUNBHDEET-ZDUSSCGKSA-N 0 3 386.543 0.623 20 0 GCADHN Cc1c(C(=O)N[C@H](CO)CN(C)C)nnn1-c1ccccc1Br ZINC000908200374 639444134 /nfs/dbraw/zinc/44/41/34/639444134.db2.gz JIXPVMHGPONCOF-NSHDSACASA-N 0 3 382.262 0.991 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908573181 639461826 /nfs/dbraw/zinc/46/18/26/639461826.db2.gz IWVIPGYKSFGZNZ-UHFFFAOYSA-N 0 3 375.535 0.808 20 0 GCADHN O=C(CNC(=O)c1cc(Br)c[nH]c1=O)NCCN1CCCCC1 ZINC000909314287 639477178 /nfs/dbraw/zinc/47/71/78/639477178.db2.gz YUKCDNGOLGRIBU-UHFFFAOYSA-N 0 3 385.262 0.882 20 0 GCADHN Cn1cc(I)c(C(=O)N(CCO)C2CCN(C)CC2)n1 ZINC000911932693 639525260 /nfs/dbraw/zinc/52/52/60/639525260.db2.gz UCKWAPGBNGSGCY-UHFFFAOYSA-N 0 3 392.241 0.553 20 0 GCADHN CN1CCNC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000911973339 639526878 /nfs/dbraw/zinc/52/68/78/639526878.db2.gz KAUNZQHTPYSFKU-OAHLLOKOSA-N 0 3 386.905 0.077 20 0 GCADHN O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923594680 639630653 /nfs/dbraw/zinc/63/06/53/639630653.db2.gz NOCPFZOWHFUDAS-UHFFFAOYSA-N 0 3 386.905 0.177 20 0 GCADHN CS(=O)(=O)NCC[C@H]1CCCCN1CCc1ccc(S(N)(=O)=O)cc1 ZINC000730937703 639746879 /nfs/dbraw/zinc/74/68/79/639746879.db2.gz CVFIKFKJSIKBJQ-OAHLLOKOSA-N 0 3 389.543 0.670 20 0 GCADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000915881348 639815330 /nfs/dbraw/zinc/81/53/30/639815330.db2.gz SRWKXDHKSRQPJH-ZIAGYGMSSA-N 0 3 376.523 0.808 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)c1 ZINC000916666536 639831671 /nfs/dbraw/zinc/83/16/71/639831671.db2.gz RGZAIHFSGIYZNE-UONOGXRCSA-N 0 3 387.527 0.509 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CC1 ZINC000919942226 639909794 /nfs/dbraw/zinc/90/97/94/639909794.db2.gz KWWYNCNPZWTENF-LSDHHAIUSA-N 0 3 376.523 0.858 20 0 GCADHN COC1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(CN(C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000920273864 639917992 /nfs/dbraw/zinc/91/79/92/639917992.db2.gz KXUUMTLXBLGFET-NCOADZHNSA-N 0 3 375.535 0.411 20 0 GCADHN COC1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(CN(C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000920273874 639918099 /nfs/dbraw/zinc/91/80/99/639918099.db2.gz KXUUMTLXBLGFET-VQHPVUNQSA-N 0 3 375.535 0.411 20 0 GCADHN CC1(C)CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CCN1 ZINC000175438873 639949324 /nfs/dbraw/zinc/94/93/24/639949324.db2.gz IOGCTCPHPVZXED-UHFFFAOYSA-N 0 3 376.276 0.921 20 0 GCADHN COCCS(=O)(=O)CC(=O)N1CCN(CCN2[C@H](C)CC[C@@H]2C)CC1 ZINC000748854548 640332269 /nfs/dbraw/zinc/33/22/69/640332269.db2.gz ABWZLUDDYINXQL-IYBDPMFKSA-N 0 3 375.535 0.065 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000804986727 640363335 /nfs/dbraw/zinc/36/33/35/640363335.db2.gz OJMKZSBEDAQXJS-UHFFFAOYSA-N 0 3 390.868 0.803 20 0 GCADHN COC1CCN(CCNC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000751036927 640372791 /nfs/dbraw/zinc/37/27/91/640372791.db2.gz BBEPOCJDFMQGOT-UHFFFAOYSA-N 0 3 386.543 0.409 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000751448194 640384524 /nfs/dbraw/zinc/38/45/24/640384524.db2.gz DAPZIJZZSFREAR-QLFBSQMISA-N 0 3 378.560 0.912 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CS[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000751448171 640384705 /nfs/dbraw/zinc/38/47/05/640384705.db2.gz DAPZIJZZSFREAR-KFWWJZLASA-N 0 3 378.560 0.912 20 0 GCADHN Cc1[nH]nc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)c1Br ZINC000752738730 640413959 /nfs/dbraw/zinc/41/39/59/640413959.db2.gz LDGSJKWQOVQNSY-UHFFFAOYSA-N 0 3 387.278 0.780 20 0 GCADHN CN1CCC(NC(=S)NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000752780044 640414510 /nfs/dbraw/zinc/41/45/10/640414510.db2.gz LEZUOJATESLPQD-GFCCVEGCSA-N 0 3 377.557 0.441 20 0 GCADHN CN1CCC(NC(=S)NC[C@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000752780045 640414756 /nfs/dbraw/zinc/41/47/56/640414756.db2.gz LEZUOJATESLPQD-LBPRGKRZSA-N 0 3 377.557 0.441 20 0 GCADHN CC[NH+](CC)CCOCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000754491132 640455410 /nfs/dbraw/zinc/45/54/10/640455410.db2.gz BWNGKDWCZBFPFX-UHFFFAOYSA-N 0 3 375.466 0.822 20 0 GCADHN COCCS(=O)(=O)CCCN1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000755242596 640466970 /nfs/dbraw/zinc/46/69/70/640466970.db2.gz REQYVESBBPTQOW-UHFFFAOYSA-N 0 3 375.579 0.787 20 0 GCADHN COCCS(=O)(=O)CCCN1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000761123461 640587657 /nfs/dbraw/zinc/58/76/57/640587657.db2.gz ODRFCUSHRJLBFB-UHFFFAOYSA-N 0 3 375.579 0.928 20 0 GCADHN COc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)nc1I ZINC000762722894 640614714 /nfs/dbraw/zinc/61/47/14/640614714.db2.gz PLBCWZVNHLPHFT-CYBMUJFWSA-N 0 3 391.209 0.491 20 0 GCADHN C[C@H](NC[C@H]1COCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765252669 640666136 /nfs/dbraw/zinc/66/61/36/640666136.db2.gz UGDGKJRGPSTRPV-WFASDCNBSA-N 0 3 392.499 0.478 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000767637241 640729738 /nfs/dbraw/zinc/72/97/38/640729738.db2.gz IXQYKVOHHSKKSO-UHFFFAOYSA-N 0 3 376.523 0.717 20 0 GCADHN CCN(CCO)CCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000768946817 640766494 /nfs/dbraw/zinc/76/64/94/640766494.db2.gz VUIDPOSTTFSLAH-CYBMUJFWSA-N 0 3 378.926 0.608 20 0 GCADHN C[C@@H](NCCS(=O)(=O)N1CCOCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000772959657 640853151 /nfs/dbraw/zinc/85/31/51/640853151.db2.gz BXELICDAIYKLEA-CYBMUJFWSA-N 0 3 391.515 0.371 20 0 GCADHN CS[C@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)C[C@@H]1N1CCCC1 ZINC000773305515 640862536 /nfs/dbraw/zinc/86/25/36/640862536.db2.gz GJVYGJGRNUYMPO-GJZGRUSLSA-N 0 3 391.559 0.582 20 0 GCADHN COC(=O)CC1(CS(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)CC1 ZINC000773314616 640862590 /nfs/dbraw/zinc/86/25/90/640862590.db2.gz KNPRYRZRPCNPHO-UHFFFAOYSA-N 0 3 375.535 0.617 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775198981 641073520 /nfs/dbraw/zinc/07/35/20/641073520.db2.gz ZHYYJIHPCWJJKB-RYUDHWBXSA-N 0 3 391.299 0.061 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2cn3cc(Br)ncc3n2)CC1=O ZINC000776529782 641099813 /nfs/dbraw/zinc/09/98/13/641099813.db2.gz CKTIBKLNJQRHDJ-JTQLQIEISA-N 0 3 395.261 0.840 20 0 GCADHN O=C(c1cc(I)c[nH]1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861712858 641162447 /nfs/dbraw/zinc/16/24/47/641162447.db2.gz VCLJLONDXICHNU-QWRGUYRKSA-N 0 3 375.210 0.900 20 0 GCADHN CC(C)(C)OC(=O)N1[C@H](CN[C@H]2CCN(S(C)(=O)=O)C2)COC1(C)C ZINC000862401670 641195533 /nfs/dbraw/zinc/19/55/33/641195533.db2.gz REFCFTPZDNBZBD-QWHCGFSZSA-N 0 3 377.507 0.982 20 0 GCADHN COC[C@@H](CN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)OC ZINC000781425918 641227198 /nfs/dbraw/zinc/22/71/98/641227198.db2.gz IHKLZFBPFKGRLZ-SWLSCSKDSA-N 0 3 394.515 0.724 20 0 GCADHN O=S(=O)(NCc1cn(CC[C@H]2CC2(Cl)Cl)nn1)N1CCNCC1 ZINC000864633322 641268197 /nfs/dbraw/zinc/26/81/97/641268197.db2.gz FXTUKXHAHJCGFI-JTQLQIEISA-N 0 3 383.305 0.102 20 0 GCADHN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000785796729 641317004 /nfs/dbraw/zinc/31/70/04/641317004.db2.gz SDZYQALEARDYLC-NEPJUHHUSA-N 0 3 389.499 0.013 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CCCC[NH2+]2)c1I ZINC000866738854 641320962 /nfs/dbraw/zinc/32/09/62/641320962.db2.gz RWROEWQJACXFSS-QMMMGPOBSA-N 0 3 384.243 0.445 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C[NH3+])c1I ZINC000866741077 641321697 /nfs/dbraw/zinc/32/16/97/641321697.db2.gz ZQKLQAOTWMAROG-BDAKNGLRSA-N 0 3 398.270 0.821 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C[NH3+])c1I ZINC000866741080 641321734 /nfs/dbraw/zinc/32/17/34/641321734.db2.gz ZQKLQAOTWMAROG-RKDXNWHRSA-N 0 3 398.270 0.821 20 0 GCADHN CN1CCCC[C@H]1CN1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000866751439 641324429 /nfs/dbraw/zinc/32/44/29/641324429.db2.gz WYHBLGOPUOBILC-HNNXBMFYSA-N 0 3 378.564 0.595 20 0 GCADHN COCC1(C[N-]S(=O)(=O)c2cnn(C)c2Br)CC[NH2+]CC1 ZINC000866764091 641327577 /nfs/dbraw/zinc/32/75/77/641327577.db2.gz QPKJYKHUZRGYFR-UHFFFAOYSA-N 0 3 381.296 0.477 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCNCCC2(C)C)c1 ZINC000866804634 641336190 /nfs/dbraw/zinc/33/61/90/641336190.db2.gz MQPRQXVXVCDJNA-UHFFFAOYSA-N 0 3 375.516 0.700 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c(Br)n1 ZINC000867533526 641352063 /nfs/dbraw/zinc/35/20/63/641352063.db2.gz DYTYAMXWPLABRX-LLVKDONJSA-N 0 3 393.307 0.402 20 0 GCADHN CC(C)(C)OC(=O)NCCOCCN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000787728872 641354609 /nfs/dbraw/zinc/35/46/09/641354609.db2.gz DNDMPAPWAVMCRS-AWEZNQCLSA-N 0 3 379.523 0.789 20 0 GCADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000867582674 641358734 /nfs/dbraw/zinc/35/87/34/641358734.db2.gz WZMHCHSHQPHRFB-IAGOWNOFSA-N 0 3 378.535 0.658 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788527274 641370979 /nfs/dbraw/zinc/37/09/79/641370979.db2.gz KIYCPFITQMQVSI-LBPRGKRZSA-N 0 3 384.468 0.745 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCN1C1CCCCCC1 ZINC000867793596 641378627 /nfs/dbraw/zinc/37/86/27/641378627.db2.gz JUUSIRCOAZMFAF-INIZCTEOSA-N 0 3 395.591 0.984 20 0 GCADHN Cn1ncc(I)c1CNC(=O)CNC[C@H]1CCCO1 ZINC000868053185 641394530 /nfs/dbraw/zinc/39/45/30/641394530.db2.gz WMFBMQLDDNNERI-SECBINFHSA-N 0 3 378.214 0.410 20 0 GCADHN O=C(c1ccc(Cl)cc1F)N1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923604907 641398752 /nfs/dbraw/zinc/39/87/52/641398752.db2.gz ZCYMKSHLJZWUHI-UHFFFAOYSA-N 0 3 390.868 0.387 20 0 GCADHN CCc1[nH]nc(C(=O)N2CCN(CC[S@@](C)=O)CC2)c1Br ZINC000789961140 641401289 /nfs/dbraw/zinc/40/12/89/641401289.db2.gz GMLNIFPVYRIJPM-OAQYLSRUSA-N 0 3 377.308 0.871 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=S)NCCNS(C)(=O)=O)c1 ZINC000790343269 641411445 /nfs/dbraw/zinc/41/14/45/641411445.db2.gz CFRIFPYEEPIKRS-UHFFFAOYSA-N 0 3 388.559 0.483 20 0 GCADHN O=S(=O)(N[C@H]1CCN(c2ccccc2Br)C1)N1CCNCC1 ZINC000923609664 641422685 /nfs/dbraw/zinc/42/26/85/641422685.db2.gz FIGPENJRXYMJIE-LBPRGKRZSA-N 0 3 389.319 0.767 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1 ZINC000869785667 641429514 /nfs/dbraw/zinc/42/95/14/641429514.db2.gz ZLSZHKHGXAOARM-NSHDSACASA-N 0 3 389.905 0.823 20 0 GCADHN O=S(=O)(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)N1CCNCC1 ZINC000923614771 641429839 /nfs/dbraw/zinc/42/98/39/641429839.db2.gz LPAICBUVLBBZLI-LBPRGKRZSA-N 0 3 383.392 0.185 20 0 GCADHN O=S(=O)(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)N1CCNCC1 ZINC000923614770 641429886 /nfs/dbraw/zinc/42/98/86/641429886.db2.gz LPAICBUVLBBZLI-GFCCVEGCSA-N 0 3 383.392 0.185 20 0 GCADHN O=S(=O)(NC[C@H](O)COc1cccc(C(F)(F)F)c1)N1CCNCC1 ZINC000923617551 641433653 /nfs/dbraw/zinc/43/36/53/641433653.db2.gz YOFKBYBNHJDUDA-LBPRGKRZSA-N 0 3 383.392 0.185 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000792953606 641458124 /nfs/dbraw/zinc/45/81/24/641458124.db2.gz RYFLFYULOCSXIY-GFCCVEGCSA-N 0 3 398.305 0.925 20 0 GCADHN O=C1[C@@H](NS(=O)(=O)N2CCNCC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000923633344 641458269 /nfs/dbraw/zinc/45/82/69/641458269.db2.gz AWKVILUPNZBNSW-ZDUSSCGKSA-N 0 3 393.296 0.838 20 0 GCADHN CN1CCC[C@H](N2CCN(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC2)C1 ZINC000872450157 641470296 /nfs/dbraw/zinc/47/02/96/641470296.db2.gz WOHXSDOHBRHVCR-LFVRLGFBSA-N 0 3 380.580 0.839 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1)N1CCCCC1 ZINC000793708162 641473110 /nfs/dbraw/zinc/47/31/10/641473110.db2.gz LGYZJBJWYOMMST-LBPRGKRZSA-N 0 3 387.527 0.758 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(Br)n1 ZINC000872499386 641474749 /nfs/dbraw/zinc/47/47/49/641474749.db2.gz HTOCPXMWYGKKQM-SNVBAGLBSA-N 0 3 391.291 0.585 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000872542512 641482630 /nfs/dbraw/zinc/48/26/30/641482630.db2.gz CCYBMGHFCJUSOG-OAGGEKHMSA-N 0 3 375.535 0.400 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCNC(=O)CC12CCC2 ZINC000872688182 641493175 /nfs/dbraw/zinc/49/31/75/641493175.db2.gz MAIFVWZTZREFCY-SNVBAGLBSA-N 0 3 386.392 0.945 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCNC(=O)CC12CCC2 ZINC000872688181 641493279 /nfs/dbraw/zinc/49/32/79/641493279.db2.gz MAIFVWZTZREFCY-JTQLQIEISA-N 0 3 386.392 0.945 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000873805798 641508099 /nfs/dbraw/zinc/50/80/99/641508099.db2.gz LWGQBTNORPZTGZ-UHFFFAOYSA-N 0 3 388.262 0.827 20 0 GCADHN O=C(NCc1ccc(Br)cn1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000875155683 641539384 /nfs/dbraw/zinc/53/93/84/641539384.db2.gz HBBGBUOAVNADKD-ZIAGYGMSSA-N 0 3 397.273 0.440 20 0 GCADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1cnn(C)c1Br ZINC000876475317 641564154 /nfs/dbraw/zinc/56/41/54/641564154.db2.gz JMIKGBOHKWEJTO-AWEZNQCLSA-N 0 3 375.267 0.602 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)Cn3ccc(Br)cc3=O)C2)nn1 ZINC000876918832 641572307 /nfs/dbraw/zinc/57/23/07/641572307.db2.gz OVEAUTPFEWOWMG-ZDUSSCGKSA-N 0 3 395.261 0.525 20 0 GCADHN COCCC1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000877268067 641577832 /nfs/dbraw/zinc/57/78/32/641577832.db2.gz PXNCIARMJJMMND-UHFFFAOYSA-N 0 3 395.934 0.955 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877345947 641578757 /nfs/dbraw/zinc/57/87/57/641578757.db2.gz MLIJZGCASXMHOG-GFCCVEGCSA-N 0 3 393.241 0.542 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C[C@H](O)c2cc(Br)no2)CC1 ZINC000878056399 641588252 /nfs/dbraw/zinc/58/82/52/641588252.db2.gz VAMZYXNNXMNEHL-LBPRGKRZSA-N 0 3 389.294 0.957 20 0 GCADHN C[C@H](Sc1nc(CC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cs1)C(N)=O ZINC000878543310 641596370 /nfs/dbraw/zinc/59/63/70/641596370.db2.gz YVLBCKYUVKRTPM-CYZMBNFOSA-N 0 3 384.527 0.631 20 0 GCADHN Cn1cc(I)c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000878544978 641596464 /nfs/dbraw/zinc/59/64/64/641596464.db2.gz NTVRRPCVOSXNIZ-ZJUUUORDSA-N 0 3 390.225 0.618 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@H]2CSC[C@@H]2C1)S(C)(=O)=O ZINC000879561174 641615255 /nfs/dbraw/zinc/61/52/55/641615255.db2.gz YJMIBTADLAJDMQ-GJZGRUSLSA-N 0 3 377.576 0.848 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cc(Br)nn2C)CC1 ZINC000879641939 641617572 /nfs/dbraw/zinc/61/75/72/641617572.db2.gz GOONRARBNDQSIS-NSHDSACASA-N 0 3 399.293 0.953 20 0 GCADHN Cn1nc(I)cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000879991873 641623859 /nfs/dbraw/zinc/62/38/59/641623859.db2.gz YZKJREPLIVFOGB-VIFPVBQESA-N 0 3 378.214 0.211 20 0 GCADHN CCS(=O)(=O)NCCCN1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000879975209 641623952 /nfs/dbraw/zinc/62/39/52/641623952.db2.gz LDACZCGMIAEIKD-PMPSAXMXSA-N 0 3 375.535 0.448 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cn(C)nc1Br ZINC000880063880 641626465 /nfs/dbraw/zinc/62/64/65/641626465.db2.gz GPNDDKYDVLIHIN-UHFFFAOYSA-N 0 3 375.271 0.666 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881849359 641659229 /nfs/dbraw/zinc/65/92/29/641659229.db2.gz PCCHOKCATMQHMI-LFVRLGFBSA-N 0 3 383.584 0.154 20 0 GCADHN CCOCCC[N@@H+]1CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)[C@H](C)C1 ZINC000881904304 641667036 /nfs/dbraw/zinc/66/70/36/641667036.db2.gz LAQCXOQHYPFWJX-XMQCVEROSA-N 0 3 384.568 0.532 20 0 GCADHN CCOCCC[N@H+]1CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)[C@H](C)C1 ZINC000881904304 641667040 /nfs/dbraw/zinc/66/70/40/641667040.db2.gz LAQCXOQHYPFWJX-XMQCVEROSA-N 0 3 384.568 0.532 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000807454842 641667844 /nfs/dbraw/zinc/66/78/44/641667844.db2.gz VKBKVTZLUDOVRO-MCIONIFRSA-N 0 3 375.560 0.567 20 0 GCADHN CN(C)C[C@H]1CN(S(=O)(=O)CCS(=O)(=O)N(C)C)c2ccccc2O1 ZINC000881990301 641680393 /nfs/dbraw/zinc/68/03/93/641680393.db2.gz AUONEJCNRWVVDI-ZDUSSCGKSA-N 0 3 391.515 0.037 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC000808221839 641682855 /nfs/dbraw/zinc/68/28/55/641682855.db2.gz SPKHZYIUCYAZHV-GFCCVEGCSA-N 0 3 389.905 0.777 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC000808220940 641682917 /nfs/dbraw/zinc/68/29/17/641682917.db2.gz BWFJAFBDADWQLE-LLVKDONJSA-N 0 3 375.878 0.435 20 0 GCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000808775679 641696501 /nfs/dbraw/zinc/69/65/01/641696501.db2.gz HKLSJTWOXUQMFM-GJZGRUSLSA-N 0 3 375.535 0.616 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000809524802 641708586 /nfs/dbraw/zinc/70/85/86/641708586.db2.gz FMQPYSUAOHIQBD-MCIONIFRSA-N 0 3 375.560 0.519 20 0 GCADHN CN(C)S(=O)(=O)CCS(=O)(=O)NC[C@H]1CCN1C1CCCCCC1 ZINC000882500742 641722978 /nfs/dbraw/zinc/72/29/78/641722978.db2.gz XAOWBOOBKVKGJE-OAHLLOKOSA-N 0 3 381.564 0.594 20 0 GCADHN CN(C)S(=O)(=O)CCS(=O)(=O)NC[C@@H]1CCN1C1CCCCCC1 ZINC000882500741 641723068 /nfs/dbraw/zinc/72/30/68/641723068.db2.gz XAOWBOOBKVKGJE-HNNXBMFYSA-N 0 3 381.564 0.594 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H]1CCOC[C@H]1OC ZINC000882740572 641736793 /nfs/dbraw/zinc/73/67/93/641736793.db2.gz BEWJIGATNQCVEQ-HBNTYKKESA-N 0 3 377.381 0.936 20 0 GCADHN Cn1ncc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(Br)c1=O ZINC000882815532 641743391 /nfs/dbraw/zinc/74/33/91/641743391.db2.gz JWQPCPVIZVHSQO-UHFFFAOYSA-N 0 3 398.305 0.853 20 0 GCADHN Cn1nnc(Br)c1C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000811891954 641763490 /nfs/dbraw/zinc/76/34/90/641763490.db2.gz YWNGYIHMEWVBTK-UHFFFAOYSA-N 0 3 380.250 0.977 20 0 GCADHN Cc1cc(Br)c2c(c1)CCN(C(=O)C(=O)NC[C@H]1CNCCO1)C2 ZINC000884725779 641789459 /nfs/dbraw/zinc/78/94/59/641789459.db2.gz XTGKBBUXZPHBRD-CYBMUJFWSA-N 0 3 396.285 0.747 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(c2ccc(Br)cc2)CC1 ZINC000884725817 641789518 /nfs/dbraw/zinc/78/95/18/641789518.db2.gz ZCMIKVBWENABLC-CQSZACIVSA-N 0 3 396.285 0.702 20 0 GCADHN Cn1ncc(I)c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000814109221 641803280 /nfs/dbraw/zinc/80/32/80/641803280.db2.gz OILXQVBQOLGAPW-NXEZZACHSA-N 0 3 390.225 0.618 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccs1)NC[C@H]1CCN1C1CCOCC1 ZINC000885857332 641820553 /nfs/dbraw/zinc/82/05/53/641820553.db2.gz AXMMTAIXJHTZRI-CQSZACIVSA-N 0 3 387.527 0.786 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H]([C@H]2CCCO2)C1)S(C)(=O)=O ZINC000886830560 641847005 /nfs/dbraw/zinc/84/70/05/641847005.db2.gz TZLYMPOBKBZVGK-HZPDHXFCSA-N 0 3 375.535 0.664 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccnc2Br)CC1=O ZINC000816639530 641855801 /nfs/dbraw/zinc/85/58/01/641855801.db2.gz VRZLBYTUIRXHTM-GFCCVEGCSA-N 0 3 399.289 0.753 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1ccnc(Cl)c1I ZINC000816618910 641855864 /nfs/dbraw/zinc/85/58/64/641855864.db2.gz MKEOGLCBMQGRIN-ZETCQYMHSA-N 0 3 383.617 0.992 20 0 GCADHN COCCN(CCN(C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000889753939 641877972 /nfs/dbraw/zinc/87/79/72/641877972.db2.gz IDZJWUDZESMQQF-UHFFFAOYSA-N 0 3 378.539 0.457 20 0 GCADHN CN(C[C@@H](O)c1ccccc1Br)C(=O)C(=O)N1CCCNCC1 ZINC000817991493 641893408 /nfs/dbraw/zinc/89/34/08/641893408.db2.gz WWSCBGJICSUWDQ-CQSZACIVSA-N 0 3 384.274 0.763 20 0 GCADHN CS(=O)(=O)c1cc(C(=O)NC[C@H]2CNCCO2)ccc1Br ZINC000818012629 641895311 /nfs/dbraw/zinc/89/53/11/641895311.db2.gz WQKKWXFYKJQSQB-SNVBAGLBSA-N 0 3 377.260 0.571 20 0 GCADHN CN(C)C[C@H]1NC(=O)N(CCNC(=O)c2ccc(Br)cc2)C1=O ZINC000924506647 641904496 /nfs/dbraw/zinc/90/44/96/641904496.db2.gz KGQVAOLUUIZAMZ-GFCCVEGCSA-N 0 3 383.246 0.661 20 0 GCADHN CN(C)C[C@H]1NC(=O)N(CCNC(=O)c2ccc(Br)cn2)C1=O ZINC000924980946 641910445 /nfs/dbraw/zinc/91/04/45/641910445.db2.gz WHSOCTNNBSZULX-LLVKDONJSA-N 0 3 384.234 0.056 20 0 GCADHN O=C(C(=O)N1CCNCCNCC1)N1CCc2c(Br)cccc2C1 ZINC000926327711 641922730 /nfs/dbraw/zinc/92/27/30/641922730.db2.gz YHMCNDROFPJQLY-UHFFFAOYSA-N 0 3 395.301 0.355 20 0 GCADHN CN(Cc1cscc1Br)C(=O)C(=O)N1CCNCCNCC1 ZINC000926404824 641923299 /nfs/dbraw/zinc/92/32/99/641923299.db2.gz JWJQKDLODLOLJH-UHFFFAOYSA-N 0 3 389.319 0.490 20 0 GCADHN O=S(=O)(CCNC[C@H](O)c1cccc(Br)c1)N1CCOCC1 ZINC000818989500 641924969 /nfs/dbraw/zinc/92/49/69/641924969.db2.gz NZHQGRAEHTZDFJ-AWEZNQCLSA-N 0 3 393.303 0.734 20 0 GCADHN O=C(CCNCCS(=O)(=O)N1CCOCC1)Nc1cccc(Cl)c1 ZINC000818990190 641925711 /nfs/dbraw/zinc/92/57/11/641925711.db2.gz ZLVGDTZEORVVMA-UHFFFAOYSA-N 0 3 375.878 0.920 20 0 GCADHN CCNS(=O)(=O)CCNC[C@H](O)COc1ccc(Br)cc1 ZINC000819044046 641926599 /nfs/dbraw/zinc/92/65/99/641926599.db2.gz YKNWRTVQVBJOEW-LBPRGKRZSA-N 0 3 381.292 0.718 20 0 GCADHN CC(C)(C)OC(=O)CS(=O)(=O)CCNC[C@@H]1COC2(CCOCC2)O1 ZINC000819211330 641932394 /nfs/dbraw/zinc/93/23/94/641932394.db2.gz ABJLTCDMAFAZOF-CYBMUJFWSA-N 0 3 379.475 0.255 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC[C@@H](O)c1ccc(Br)cc1 ZINC000819264110 641933198 /nfs/dbraw/zinc/93/31/98/641933198.db2.gz LNVXTUPZCHAPFF-CYBMUJFWSA-N 0 3 380.308 0.905 20 0 GCADHN C[C@H]1[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCN1C ZINC000928443419 641946454 /nfs/dbraw/zinc/94/64/54/641946454.db2.gz YGLOGGBNXAQJQB-GXTWGEPZSA-N 0 3 387.527 0.520 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCN1C ZINC000928452107 641946704 /nfs/dbraw/zinc/94/67/04/641946704.db2.gz GZAPSHXAPFYGMO-MFKMUULPSA-N 0 3 390.303 0.936 20 0 GCADHN CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCC3(CC2)OCCO3)CCC1 ZINC000929270506 641957357 /nfs/dbraw/zinc/95/73/57/641957357.db2.gz SYIHTEDYWITGEK-AWEZNQCLSA-N 0 3 376.519 0.827 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCCN3CCSC[C@H]23)CCSC1 ZINC000929464935 641959374 /nfs/dbraw/zinc/95/93/74/641959374.db2.gz RAUBUBBBYZDAKU-CPUCHLNUSA-N 0 3 386.587 0.236 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)C(F)(F)c2nccs2)CC1=O ZINC000820853163 641974355 /nfs/dbraw/zinc/97/43/55/641974355.db2.gz RLRPLYOKFRBXJA-NSHDSACASA-N 0 3 376.429 0.530 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000931397523 641987957 /nfs/dbraw/zinc/98/79/57/641987957.db2.gz WHESYUNJRFZEGK-MRXNPFEDSA-N 0 3 377.507 0.190 20 0 GCADHN CCOC(=O)[C@@H]1CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000932650717 642006328 /nfs/dbraw/zinc/00/63/28/642006328.db2.gz YUATZBIGNWIYQZ-KGLIPLIRSA-N 0 3 376.519 0.873 20 0 GCADHN CN(CCCNC(=O)CN1CCC[C@H](C2CCOCC2)C1)S(C)(=O)=O ZINC000933076236 642012265 /nfs/dbraw/zinc/01/22/65/642012265.db2.gz GALQXWUFWZWYBR-INIZCTEOSA-N 0 3 375.535 0.523 20 0 GCADHN CN(CCCCCCN(C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000247053507 642062315 /nfs/dbraw/zinc/06/23/15/642062315.db2.gz FJCMVBBIXSEQKG-IYBDPMFKSA-N 0 3 380.576 0.785 20 0 GCADHN CN(C)C[C@@H]1NC(=O)N(c2cc(N3CCCS3(=O)=O)ccc2Cl)C1=O ZINC000900231733 642081528 /nfs/dbraw/zinc/08/15/28/642081528.db2.gz IRETZNQXXIZGBQ-LBPRGKRZSA-N 0 3 386.861 0.866 20 0 GCADHN CS(=O)(=O)[C@@H]1CCN(CCCCCCN2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC000800467381 642082595 /nfs/dbraw/zinc/08/25/95/642082595.db2.gz XVKWJYKNNWLPBM-HZPDHXFCSA-N 0 3 380.576 0.785 20 0 GCADHN Cc1cc(Cl)ccc1Cn1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000900608462 642095773 /nfs/dbraw/zinc/09/57/73/642095773.db2.gz XEQJLFXPTQHLDU-UHFFFAOYSA-N 0 3 384.893 0.528 20 0 GCADHN CSCC[C@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000829448190 642114966 /nfs/dbraw/zinc/11/49/66/642114966.db2.gz XQGFVXWRSYJKHA-JTQLQIEISA-N 0 3 377.454 0.745 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@](F)(C(=O)OC)C1 ZINC000830763507 642145872 /nfs/dbraw/zinc/14/58/72/642145872.db2.gz GFMWMDJNTARFHL-KWQFWETISA-N 0 3 379.328 0.787 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@](F)(C(=O)OC)C1 ZINC000830763508 642145946 /nfs/dbraw/zinc/14/59/46/642145946.db2.gz GFMWMDJNTARFHL-LDYMZIIASA-N 0 3 379.328 0.787 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CC)CCS(C)(=O)=O ZINC000830939770 642148639 /nfs/dbraw/zinc/14/86/39/642148639.db2.gz CFNRKNYQMBZWQE-SECBINFHSA-N 0 3 383.410 0.567 20 0 GCADHN CC(C)[C@H]1CN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCN1 ZINC000831594452 642167683 /nfs/dbraw/zinc/16/76/83/642167683.db2.gz WCKWBTOYUGLQMF-SNVBAGLBSA-N 0 3 397.277 0.349 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](OC(=O)N(C)C)C1 ZINC000831801022 642172539 /nfs/dbraw/zinc/17/25/39/642172539.db2.gz HZVHABFLNJFWFX-ZJUUUORDSA-N 0 3 390.380 0.973 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)C[C@@H]21 ZINC000834314989 642208999 /nfs/dbraw/zinc/20/89/99/642208999.db2.gz SKAHHZCSMGRJPU-RNCFNFMXSA-N 0 3 388.287 0.873 20 0 GCADHN Cn1nc(I)cc1C(=O)NC1(CCO)CCN(C)CC1 ZINC000867250236 642290208 /nfs/dbraw/zinc/29/02/08/642290208.db2.gz ATRRWOVYJIRHCP-UHFFFAOYSA-N 0 3 392.241 0.601 20 0 GCADHN COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCO1 ZINC000842483522 642338179 /nfs/dbraw/zinc/33/81/79/642338179.db2.gz MZYNCKXYRJDKEG-VIFPVBQESA-N 0 3 383.239 0.864 20 0 GCADHN [NH3+]C[C@H]1CN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CCO1 ZINC000843462460 642370782 /nfs/dbraw/zinc/37/07/82/642370782.db2.gz FVPYDKSCMQKGAC-JTQLQIEISA-N 0 3 375.397 0.205 20 0 GCADHN C[C@@H](N[C@H](CO)CCF)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000846210326 642477003 /nfs/dbraw/zinc/47/70/03/642477003.db2.gz YFKJJCMPYPWAHI-YPMHNXCESA-N 0 3 382.479 0.783 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@](O)(CN2CCC[C@H](CS(N)(=O)=O)C2)C1 ZINC000846811123 642498940 /nfs/dbraw/zinc/49/89/40/642498940.db2.gz JUCOLMCNQAIICB-BBRMVZONSA-N 0 3 377.507 0.359 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2cccnc2F)C1 ZINC000848967384 642611466 /nfs/dbraw/zinc/61/14/66/642611466.db2.gz ZUDOHWARSWXWKH-GFCCVEGCSA-N 0 3 394.494 0.224 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CO)CN(C)C)c1 ZINC000854467023 642830030 /nfs/dbraw/zinc/83/00/30/642830030.db2.gz PXEOBQVSBYKHTM-LBPRGKRZSA-N 0 3 375.466 0.507 20 0 GCADHN CN1C[C@@H]2CCN(C(=O)c3ccc(Br)c(S(N)(=O)=O)c3)[C@@H]2C1 ZINC000854599553 642841138 /nfs/dbraw/zinc/84/11/38/642841138.db2.gz GOIHHTQFCJBRSX-CMPLNLGQSA-N 0 3 388.287 0.873 20 0 GCADHN O=S1(=O)CC[C@H](NNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000145615490 677369092 /nfs/dbraw/zinc/36/90/92/677369092.db2.gz NAWJSJJFHDAHSP-INIZCTEOSA-N 0 3 382.555 0.807 20 0 GCADHN Cn1ncc(C(=O)N(CCO)C2CCN(C)CC2)c1I ZINC000394347691 677371616 /nfs/dbraw/zinc/37/16/16/677371616.db2.gz JMLTXKCJCOQNPY-UHFFFAOYSA-N 0 3 392.241 0.553 20 0 GCADHN COc1cccc(C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)n2nnnc2C)c1 ZINC000662946298 1192164577 /nfs/dbraw/zinc/16/45/77/1192164577.db2.gz QVVWWTWABMGRLQ-HNNXBMFYSA-N 0 3 398.427 0.045 20 0 GCADHN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662947236 1192165360 /nfs/dbraw/zinc/16/53/60/1192165360.db2.gz LAXMAJPELWDUIA-INIZCTEOSA-N 0 3 382.424 0.486 20 0 GCADHN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662945376 1192165485 /nfs/dbraw/zinc/16/54/85/1192165485.db2.gz AISKCIHSIAMCIA-KRWDZBQOSA-N 0 3 386.456 0.781 20 0 GCADHN CN(CCN1C(=O)CCC1=O)[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001027497793 1192166650 /nfs/dbraw/zinc/16/66/50/1192166650.db2.gz NWKKZLYRWFYKQW-IUVQAAGXSA-N 0 3 377.485 0.873 20 0 GCADHN C[C@@H](CCO)N(C)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000652261004 1192174507 /nfs/dbraw/zinc/17/45/07/1192174507.db2.gz XMFCLJLOZHZTPK-AWEZNQCLSA-N 0 3 390.484 0.552 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000652291739 1192179051 /nfs/dbraw/zinc/17/90/51/1192179051.db2.gz GEPKAUPQZOEMQM-UHFFFAOYSA-N 0 3 392.504 0.098 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)c2ccccc2O1 ZINC000652293579 1192180683 /nfs/dbraw/zinc/18/06/83/1192180683.db2.gz ZGCPIVUFWRTATJ-QGZVFWFLSA-N 0 3 388.468 0.471 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)C3CN(C(=O)OCc4ccccc4)C3)C[C@@H]2C1 ZINC000785299587 1192183291 /nfs/dbraw/zinc/18/32/91/1192183291.db2.gz QLYAREKGRDTCHD-IYBDPMFKSA-N 0 3 379.482 0.831 20 0 GCADHN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000652326955 1192189937 /nfs/dbraw/zinc/18/99/37/1192189937.db2.gz QAMZLIYHCZSUPP-GOEBONIOSA-N 0 3 385.472 0.860 20 0 GCADHN O=C(NCCN1C(=O)c2ccccc2C1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661973454 1192208187 /nfs/dbraw/zinc/20/81/87/1192208187.db2.gz AYCRENDVOBNPQU-HNNXBMFYSA-N 0 3 386.452 0.835 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661975173 1192209722 /nfs/dbraw/zinc/20/97/22/1192209722.db2.gz JUGXUSRDCXQGAY-HUUCEWRRSA-N 0 3 382.486 0.466 20 0 GCADHN O=C(NCCNS(=O)(=O)c1ccccc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000661976746 1192210120 /nfs/dbraw/zinc/21/01/20/1192210120.db2.gz VRYXZFHNIZVTQN-INIZCTEOSA-N 0 3 396.513 0.517 20 0 GCADHN O=C(CN1CC[C@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)N1CCCC1 ZINC001481441617 1192210758 /nfs/dbraw/zinc/21/07/58/1192210758.db2.gz JSIGQTZCZDFNAW-LSTDLKDCSA-N 0 3 379.501 0.489 20 0 GCADHN Cc1ccccc1OCCN(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652395693 1192211562 /nfs/dbraw/zinc/21/15/62/1192211562.db2.gz OKQVJJRNGJHHSY-UHFFFAOYSA-N 0 3 390.484 0.065 20 0 GCADHN COCC(COC)N1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000661987174 1192211879 /nfs/dbraw/zinc/21/18/79/1192211879.db2.gz NVQUOOAJERYXCG-QGZVFWFLSA-N 0 3 384.521 0.228 20 0 GCADHN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661985753 1192212087 /nfs/dbraw/zinc/21/20/87/1192212087.db2.gz XGCFTXVYASYCJL-MRXNPFEDSA-N 0 3 396.513 0.695 20 0 GCADHN COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000893541656 1192215305 /nfs/dbraw/zinc/21/53/05/1192215305.db2.gz QXWYBZGBRDXGFA-KSZLIROESA-N 0 3 392.500 0.930 20 0 GCADHN COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000893541657 1192215530 /nfs/dbraw/zinc/21/55/30/1192215530.db2.gz QXWYBZGBRDXGFA-KURKYZTESA-N 0 3 392.500 0.930 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N(CC2CC2)C2CCCCC2)CC1=O ZINC000652430315 1192221305 /nfs/dbraw/zinc/22/13/05/1192221305.db2.gz ZLIIYKVEEXATBG-UHFFFAOYSA-N 0 3 378.517 0.790 20 0 GCADHN O=C1CCCN1C[C@H]1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000662057467 1192226420 /nfs/dbraw/zinc/22/64/20/1192226420.db2.gz CDTUSDLIPJBOLF-DOTOQJQBSA-N 0 3 386.452 0.809 20 0 GCADHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000662056139 1192226517 /nfs/dbraw/zinc/22/65/17/1192226517.db2.gz RWZOPZXSQQVEMF-SJORKVTESA-N 0 3 386.500 0.458 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652460506 1192228359 /nfs/dbraw/zinc/22/83/59/1192228359.db2.gz XZQIRBPSCOCUNI-QGZVFWFLSA-N 0 3 380.533 0.642 20 0 GCADHN CC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3OC)CC2)[C@H](C)CO1 ZINC000652518560 1192235179 /nfs/dbraw/zinc/23/51/79/1192235179.db2.gz GDTGSTPLYBFXJE-CABCVRRESA-N 0 3 376.457 0.765 20 0 GCADHN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@]1(C)CO ZINC000662149614 1192245754 /nfs/dbraw/zinc/24/57/54/1192245754.db2.gz OBGXUFDHGJGNLU-APWZRJJASA-N 0 3 395.525 0.470 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662149602 1192246224 /nfs/dbraw/zinc/24/62/24/1192246224.db2.gz NXWAPCMLUMUDCW-HBUWYVDXSA-N 0 3 383.514 0.332 20 0 GCADHN O=C(CN1CCC(CN2CCOCC2)CC1)NC[C@H]1COc2ccccc2O1 ZINC000051957816 1192255480 /nfs/dbraw/zinc/25/54/80/1192255480.db2.gz WHVWZUFZNBHLSJ-SFHVURJKSA-N 0 3 389.496 0.987 20 0 GCADHN C[C@@H](CNC(=O)NCCN1CCc2ccccc2C1=O)CN1CCN(C)CC1 ZINC000188276375 1192257170 /nfs/dbraw/zinc/25/71/70/1192257170.db2.gz FFSZEYGQBZUTJQ-KRWDZBQOSA-N 0 3 387.528 0.868 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NC[C@@H]3CC[C@H](c4nc(C5CC5)no4)O3)CCN2C1=O ZINC000599923703 1192257483 /nfs/dbraw/zinc/25/74/83/1192257483.db2.gz YEFMDIOFTRDHBW-XDQVBPFNSA-N 0 3 390.444 0.121 20 0 GCADHN Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cn1C ZINC000511962979 1192259941 /nfs/dbraw/zinc/25/99/41/1192259941.db2.gz ZGRAQTKQLGWGQU-MRXNPFEDSA-N 0 3 393.513 0.734 20 0 GCADHN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3CN(C)CCN3C)C2)cc1 ZINC000636702840 1192272350 /nfs/dbraw/zinc/27/23/50/1192272350.db2.gz ZUBPGDSTGAIDTN-OALUTQOASA-N 0 3 387.528 0.048 20 0 GCADHN NC1(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)Cc2ccccc2C1 ZINC000161775945 1192283850 /nfs/dbraw/zinc/28/38/50/1192283850.db2.gz ICNPIXAKYZYADK-UHFFFAOYSA-N 0 3 391.415 0.913 20 0 GCADHN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1cc2c(s1)CCNC2 ZINC000662390405 1192289004 /nfs/dbraw/zinc/28/90/04/1192289004.db2.gz LNJOSRZABYZYOT-UHFFFAOYSA-N 0 3 398.488 0.896 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCN3CCCC3)CC2)cn1C ZINC000051468367 1192289455 /nfs/dbraw/zinc/28/94/55/1192289455.db2.gz DDLWPKRNOHWCCY-UHFFFAOYSA-N 0 3 383.518 0.341 20 0 GCADHN NC(=O)[C@H]1CN(C(=O)[C@@H](N)Cc2ccc(OCc3ccccc3)cc2)CCO1 ZINC000662426803 1192292013 /nfs/dbraw/zinc/29/20/13/1192292013.db2.gz DBOWXUHFNULSFX-RBUKOAKNSA-N 0 3 383.448 0.848 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662446236 1192296871 /nfs/dbraw/zinc/29/68/71/1192296871.db2.gz VAIUKCDQDKSRSG-CQSZACIVSA-N 0 3 394.541 0.693 20 0 GCADHN CC(C)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)N1CCC(C)CC1 ZINC001719834293 1192306163 /nfs/dbraw/zinc/30/61/63/1192306163.db2.gz GTHAROOFDPRALC-IKGGRYGDSA-N 0 3 378.517 0.833 20 0 GCADHN CCN1CCN(CCC(=O)Nc2ccc(S(=O)(=O)CCO)cc2C)CC1 ZINC000278875500 1192319231 /nfs/dbraw/zinc/31/92/31/1192319231.db2.gz GNOQADONBUFOBF-UHFFFAOYSA-N 0 3 383.514 0.727 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000153148791 1192322514 /nfs/dbraw/zinc/32/25/14/1192322514.db2.gz NMTVLKVVZPYSDC-OLZOCXBDSA-N 0 3 390.406 0.162 20 0 GCADHN CC[C@@H](C)[C@@H](NC(=O)c1cccc2c1CNC2)C(=O)NCCN1CCOCC1 ZINC000662688661 1192327471 /nfs/dbraw/zinc/32/74/71/1192327471.db2.gz QRJLRGRURHONGM-DNVCBOLYSA-N 0 3 388.512 0.883 20 0 GCADHN CC[C@H](C)[C@@H](NC(=O)c1cccc2c1CNC2)C(=O)NCCN1CCOCC1 ZINC000662688662 1192327588 /nfs/dbraw/zinc/32/75/88/1192327588.db2.gz QRJLRGRURHONGM-HNAYVOBHSA-N 0 3 388.512 0.883 20 0 GCADHN CN(C)c1ncn(-c2cccc(NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)c2)n1 ZINC000662695888 1192328902 /nfs/dbraw/zinc/32/89/02/1192328902.db2.gz WEMQJWBJAKFFCC-MRXNPFEDSA-N 0 3 397.483 0.872 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC2(CCC2)O1 ZINC000563107680 1192338984 /nfs/dbraw/zinc/33/89/84/1192338984.db2.gz LGEZCOCZARWDPI-HZPDHXFCSA-N 0 3 394.516 0.215 20 0 GCADHN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1 ZINC000408271012 1192352203 /nfs/dbraw/zinc/35/22/03/1192352203.db2.gz UEOJBTKKEBQTMK-ZFWWWQNUSA-N 0 3 388.534 0.747 20 0 GCADHN COc1cc(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)cc(OC)c1OC ZINC000663488975 1192359426 /nfs/dbraw/zinc/35/94/26/1192359426.db2.gz JGOMHMRHYIIZHZ-UHFFFAOYSA-N 0 3 396.488 0.874 20 0 GCADHN COc1ncc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1C(N)=O ZINC000278919909 1192363278 /nfs/dbraw/zinc/36/32/78/1192363278.db2.gz UQPYMJMXBNULCO-LBPRGKRZSA-N 0 3 377.445 0.906 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1cnccc1C(F)(F)F ZINC000663539650 1192378470 /nfs/dbraw/zinc/37/84/70/1192378470.db2.gz MWWPJTHWMMZEHX-UHFFFAOYSA-N 0 3 376.379 0.753 20 0 GCADHN O=C(NCCN1CC[C@H](O)C1)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000637085158 1192381943 /nfs/dbraw/zinc/38/19/43/1192381943.db2.gz ALXJJPGSJURECX-ROUUACIJSA-N 0 3 378.542 0.970 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000041825627 1192388219 /nfs/dbraw/zinc/38/82/19/1192388219.db2.gz DDJITXGLGHLUQN-UHFFFAOYSA-N 0 3 375.473 0.013 20 0 GCADHN Cc1c([C@H]2[C@H](NC[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC(=O)N2C)cnn1C ZINC000431964476 1192395392 /nfs/dbraw/zinc/39/53/92/1192395392.db2.gz NLZPZGMYTKONPF-SLJXPLQRSA-N 0 3 379.505 0.060 20 0 GCADHN Cc1c([C@H]2[C@H](NC[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC(=O)N2C)cnn1C ZINC000431964475 1192395560 /nfs/dbraw/zinc/39/55/60/1192395560.db2.gz NLZPZGMYTKONPF-RLCRSPGSSA-N 0 3 379.505 0.060 20 0 GCADHN Cc1csc(CCNC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000585725532 1192399495 /nfs/dbraw/zinc/39/94/95/1192399495.db2.gz UDQSOKXUKSCXDP-INIZCTEOSA-N 0 3 393.557 0.737 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000585736759 1192401647 /nfs/dbraw/zinc/40/16/47/1192401647.db2.gz FJJSYMIXONNUHO-KLAILNCOSA-N 0 3 396.532 0.224 20 0 GCADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(=O)cc1OC)N(C)C ZINC001719847498 1192402544 /nfs/dbraw/zinc/40/25/44/1192402544.db2.gz RJBCWZZMHLYILT-UNQGMJICSA-N 0 3 376.457 0.998 20 0 GCADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(C)csc1=O)N(C)C ZINC001719847562 1192402564 /nfs/dbraw/zinc/40/25/64/1192402564.db2.gz UMDGIXVULLXCRA-QPSCCSFWSA-N 0 3 380.514 0.807 20 0 GCADHN CCNC(=O)c1ccc(CNC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000663588378 1192404322 /nfs/dbraw/zinc/40/43/22/1192404322.db2.gz KADNQRCXIAHANJ-UHFFFAOYSA-N 0 3 377.489 0.598 20 0 GCADHN CC(=O)N(C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]c1C)C2 ZINC001719850759 1192419252 /nfs/dbraw/zinc/41/92/52/1192419252.db2.gz SRQAELMWTNOPQO-PVAVHDDUSA-N 0 3 375.473 0.767 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCN1CCc2ccccc2C1 ZINC000663624227 1192424512 /nfs/dbraw/zinc/42/45/12/1192424512.db2.gz MLNXXHCVIGNYRL-UHFFFAOYSA-N 0 3 375.517 0.706 20 0 GCADHN N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000167071539 1192430970 /nfs/dbraw/zinc/43/09/70/1192430970.db2.gz ZMOUHBOJBQQQPE-KRWDZBQOSA-N 0 3 382.468 0.202 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 ZINC000637203173 1192433467 /nfs/dbraw/zinc/43/34/67/1192433467.db2.gz PGUGEKLZDUCKSM-GHMZBOCLSA-N 0 3 376.383 0.487 20 0 GCADHN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000279007946 1192435446 /nfs/dbraw/zinc/43/54/46/1192435446.db2.gz DNSAVADSRSPXNL-CQSZACIVSA-N 0 3 393.875 0.747 20 0 GCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N1CCC(O)(CO)CC1 ZINC000663646306 1192444509 /nfs/dbraw/zinc/44/45/09/1192444509.db2.gz KUSYMGNREQKNKS-UHFFFAOYSA-N 0 3 390.528 0.723 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000512121491 1192460087 /nfs/dbraw/zinc/46/00/87/1192460087.db2.gz ZBCZVTFQFHTGCI-STQMWFEESA-N 0 3 394.497 0.219 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)N2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000663663940 1192464576 /nfs/dbraw/zinc/46/45/76/1192464576.db2.gz NDBXCRIDGRHNQJ-QGZVFWFLSA-N 0 3 381.521 0.093 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000432469554 1192468175 /nfs/dbraw/zinc/46/81/75/1192468175.db2.gz PBHAIFSVSZUUDR-CABCVRRESA-N 0 3 388.534 0.305 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CN1CCN(c2ccccn2)CC1 ZINC000279261832 1192494754 /nfs/dbraw/zinc/49/47/54/1192494754.db2.gz XHAGBSJCZFIGDS-GOSISDBHSA-N 0 3 387.528 0.915 20 0 GCADHN COc1c(F)cc(F)cc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000473218914 1192497214 /nfs/dbraw/zinc/49/72/14/1192497214.db2.gz ZHXCAELMNNXNRW-LBPRGKRZSA-N 0 3 384.427 0.912 20 0 GCADHN Cn1cc(-c2nc(C(=O)NCCCCN3CCN(CCO)CC3)cs2)cn1 ZINC000432525683 1192510210 /nfs/dbraw/zinc/51/02/10/1192510210.db2.gz WEZALNOJXPXBLE-UHFFFAOYSA-N 0 3 392.529 0.664 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000162782745 1192510373 /nfs/dbraw/zinc/51/03/73/1192510373.db2.gz DSUYXFXBKMNBKL-UHFFFAOYSA-N 0 3 377.424 0.786 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000663723313 1192515345 /nfs/dbraw/zinc/51/53/45/1192515345.db2.gz USMSMWYNTOSSDA-MRXNPFEDSA-N 0 3 380.514 0.680 20 0 GCADHN CCN1CCC[C@@H](CN(C)C(=O)C(=O)N[C@H]2CCO[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000500450476 1192521209 /nfs/dbraw/zinc/52/12/09/1192521209.db2.gz VPZRZMBWPJIGIY-UOVPBQLFSA-N 0 3 391.516 0.945 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)[C@](C)(O)Cn2c(C)cccc2=O)CC1 ZINC000279376339 1192531493 /nfs/dbraw/zinc/53/14/93/1192531493.db2.gz AGKCZXNOTRSSQP-HXUWFJFHSA-N 0 3 393.484 0.299 20 0 GCADHN C[C@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H](C2CC2)O1 ZINC000279391120 1192535780 /nfs/dbraw/zinc/53/57/80/1192535780.db2.gz UHFPWEJCSRVXED-KBXCAEBGSA-N 0 3 395.525 0.882 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)CC1=O ZINC000432532443 1192536246 /nfs/dbraw/zinc/53/62/46/1192536246.db2.gz WPYWTWICPYNPED-HLLBOEOZSA-N 0 3 383.439 0.750 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccccc1N1CCOCC1 ZINC000432537941 1192544822 /nfs/dbraw/zinc/54/48/22/1192544822.db2.gz XNQFAQTVNBCPIY-UHFFFAOYSA-N 0 3 390.528 0.643 20 0 GCADHN CC(=O)Nc1ccc(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000279500607 1192547213 /nfs/dbraw/zinc/54/72/13/1192547213.db2.gz NYXMCLTZGDGTCX-MRXNPFEDSA-N 0 3 390.488 0.782 20 0 GCADHN Cc1nn(C)c2nc(C)cc(C(=O)NCCCCN3CCN(CCO)CC3)c12 ZINC000432541078 1192547718 /nfs/dbraw/zinc/54/77/18/1192547718.db2.gz KTYRFGTZVSTASE-UHFFFAOYSA-N 0 3 388.516 0.705 20 0 GCADHN CC(C)[C@H](C(=O)NCCCCN1CCN(CCO)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000432543258 1192548799 /nfs/dbraw/zinc/54/87/99/1192548799.db2.gz SRTDDJAYCMJZGI-HSALFYBXSA-N 0 3 398.592 0.627 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCN1CCc2sccc2C1 ZINC000663779742 1192576732 /nfs/dbraw/zinc/57/67/32/1192576732.db2.gz AQHQBLDRXIIHFF-UHFFFAOYSA-N 0 3 381.546 0.768 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000663782458 1192579626 /nfs/dbraw/zinc/57/96/26/1192579626.db2.gz AEHCHTUKDFKJPI-NVXWUHKLSA-N 0 3 395.529 0.613 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC(F)(F)C2)CC1 ZINC000512287339 1192599990 /nfs/dbraw/zinc/59/99/90/1192599990.db2.gz HJSRALYXKUATKI-CQSZACIVSA-N 0 3 388.459 0.551 20 0 GCADHN CCN1CCN([C@@H]2CCN(C(=O)c3ccnc(N4CCN(C)CC4)c3)C2)CC1 ZINC000112294646 1192601363 /nfs/dbraw/zinc/60/13/63/1192601363.db2.gz JQDMGMAATFCECA-LJQANCHMSA-N 0 3 386.544 0.685 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1N(C)C ZINC000123175566 1192605930 /nfs/dbraw/zinc/60/59/30/1192605930.db2.gz OVXTXGBDKWKINL-KRWDZBQOSA-N 0 3 394.541 0.988 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000429811985 1192609201 /nfs/dbraw/zinc/60/92/01/1192609201.db2.gz VGBXQTLYGRJODR-INIZCTEOSA-N 0 3 381.498 0.725 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000509739201 1192609935 /nfs/dbraw/zinc/60/99/35/1192609935.db2.gz SKJXTYJJCQGDJM-XMTFNYHQSA-N 0 3 383.533 0.859 20 0 GCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418635482 1192624312 /nfs/dbraw/zinc/62/43/12/1192624312.db2.gz KSFKJWIWWNYHLA-KRWDZBQOSA-N 0 3 387.484 0.252 20 0 GCADHN CCN(Cc1ccccc1)C(=O)CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663808114 1192624838 /nfs/dbraw/zinc/62/48/38/1192624838.db2.gz ZHBXFNMKVGREQV-UHFFFAOYSA-N 0 3 391.516 0.697 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1=O ZINC000500483676 1192626097 /nfs/dbraw/zinc/62/60/97/1192626097.db2.gz GZXOCWTYNMZVMZ-HNNXBMFYSA-N 0 3 381.473 0.302 20 0 GCADHN CCc1nc2n(n1)C[C@H](NC(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CC2 ZINC000140809441 1192629681 /nfs/dbraw/zinc/62/96/81/1192629681.db2.gz POZMLTVCQGICIJ-HUUCEWRRSA-N 0 3 389.504 0.103 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CO)CN2CCCCC2)cc1 ZINC000512360270 1192632695 /nfs/dbraw/zinc/63/26/95/1192632695.db2.gz VQMGROAJFSMIGI-LSDHHAIUSA-N 0 3 399.513 0.325 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000432718192 1192637080 /nfs/dbraw/zinc/63/70/80/1192637080.db2.gz OIAFBXGOLVPOAL-UONOGXRCSA-N 0 3 390.550 0.009 20 0 GCADHN Cc1ccccc1C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000418787364 1192644162 /nfs/dbraw/zinc/64/41/62/1192644162.db2.gz UEYPIELMABDXTD-CRAIPNDOSA-N 0 3 384.484 0.956 20 0 GCADHN O=C(NCCOc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000418783555 1192644761 /nfs/dbraw/zinc/64/47/61/1192644761.db2.gz OOFUBTQVLIRVBN-ZDUSSCGKSA-N 0 3 375.347 0.305 20 0 GCADHN O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)C(=O)NC[C@@H]1CNCCO1 ZINC000418793527 1192645965 /nfs/dbraw/zinc/64/59/65/1192645965.db2.gz OLGXRCSFLDHCSF-KRWDZBQOSA-N 0 3 388.399 0.734 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccnc(OC2CCC2)c1 ZINC000418807682 1192651044 /nfs/dbraw/zinc/65/10/44/1192651044.db2.gz PZIKKRFZSWSSRT-SWLSCSKDSA-N 0 3 376.457 0.858 20 0 GCADHN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000418812609 1192652915 /nfs/dbraw/zinc/65/29/15/1192652915.db2.gz XGFPEFAQGGTKAO-CVEARBPZSA-N 0 3 378.448 0.324 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000261657583 1192653403 /nfs/dbraw/zinc/65/34/03/1192653403.db2.gz APYFHBDRTDGSFI-HNNXBMFYSA-N 0 3 377.470 0.409 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C(=O)N1Cc2ccccc2C1 ZINC000418820949 1192653952 /nfs/dbraw/zinc/65/39/52/1192653952.db2.gz FXWUBKAHAPTRGX-WWGRRREGSA-N 0 3 388.468 0.263 20 0 GCADHN NC(=O)CN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CCCC1 ZINC000728913394 1192656339 /nfs/dbraw/zinc/65/63/39/1192656339.db2.gz ZWTVVYPCAXGLMW-UHFFFAOYSA-N 0 3 379.461 0.392 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000418827315 1192657307 /nfs/dbraw/zinc/65/73/07/1192657307.db2.gz DNPWHBJJYKSCKE-RRFJBIMHSA-N 0 3 378.473 0.762 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)N(C)C)cc1OC ZINC000418827314 1192657731 /nfs/dbraw/zinc/65/77/31/1192657731.db2.gz GRDSERIGRRTSRK-FMKPAKJESA-N 0 3 392.500 0.632 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2CCCNCC2)N2CCOCC2)cc1 ZINC000418828422 1192658341 /nfs/dbraw/zinc/65/83/41/1192658341.db2.gz HXRODUUDGIBYBA-SFHVURJKSA-N 0 3 390.484 0.007 20 0 GCADHN COc1ccc([C@@H](CNC(=O)C(=O)N2CCNC[C@@H]2C)N(C)C)cc1OC ZINC000418836191 1192660758 /nfs/dbraw/zinc/66/07/58/1192660758.db2.gz QTNQPMYYCDNCGK-DZGCQCFKSA-N 0 3 378.473 0.243 20 0 GCADHN CCOc1cc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)ccc1OC ZINC000418870949 1192673541 /nfs/dbraw/zinc/67/35/41/1192673541.db2.gz QBGKUICIOCLONQ-OCCSQVGLSA-N 0 3 379.457 0.939 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCOCCc1ccccc1 ZINC000418873570 1192673852 /nfs/dbraw/zinc/67/38/52/1192673852.db2.gz IALHPYMYFXQBCD-WBVHZDCISA-N 0 3 377.485 0.981 20 0 GCADHN CCS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000418896392 1192680439 /nfs/dbraw/zinc/68/04/39/1192680439.db2.gz VBSZPIMZZIESAP-IUODEOHRSA-N 0 3 397.497 0.326 20 0 GCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000500633888 1192681765 /nfs/dbraw/zinc/68/17/65/1192681765.db2.gz MRDPKKSFNGSVKJ-AWEZNQCLSA-N 0 3 388.468 0.768 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000418901687 1192684007 /nfs/dbraw/zinc/68/40/07/1192684007.db2.gz QRGAHNUTUACBGX-SCRDCRAPSA-N 0 3 377.441 0.864 20 0 GCADHN C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418911292 1192687457 /nfs/dbraw/zinc/68/74/57/1192687457.db2.gz CPRJOFRQSILHTG-WMLDXEAASA-N 0 3 377.485 0.972 20 0 GCADHN COc1cc(OC)c(OC)cc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000418920549 1192691651 /nfs/dbraw/zinc/69/16/51/1192691651.db2.gz LEDVDIFGNRNONG-AAEUAGOBSA-N 0 3 395.456 0.558 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000512441795 1192700689 /nfs/dbraw/zinc/70/06/89/1192700689.db2.gz KHWFPMRSOPUQDN-HNNXBMFYSA-N 0 3 383.518 0.436 20 0 GCADHN O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)C(=O)N1CCCNCC1 ZINC000418960485 1192702172 /nfs/dbraw/zinc/70/21/72/1192702172.db2.gz GLXFGSNNATVKLR-JKSUJKDBSA-N 0 3 398.429 0.955 20 0 GCADHN Cc1n[nH]c(C)c1NC(=O)CNCC[C@@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268386890 1192712624 /nfs/dbraw/zinc/71/26/24/1192712624.db2.gz MQVYIFQOQYWHBU-RJPSIDQRSA-N 0 3 375.473 0.873 20 0 GCADHN CCOc1cc2c(cc1CNC(=O)C(=O)NC[C@@H]1CNCCO1)O[C@H](C)C2 ZINC000418999692 1192713197 /nfs/dbraw/zinc/71/31/97/1192713197.db2.gz QVQWLHQFGMSMJT-DOMZBBRYSA-N 0 3 377.441 0.130 20 0 GCADHN CCCN1CC[C@H](Cn2c(COCC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001745691553 1192713241 /nfs/dbraw/zinc/71/32/41/1192713241.db2.gz CWLNQDIWCXISTF-HNNXBMFYSA-N 0 3 385.534 0.781 20 0 GCADHN CCOC(=O)c1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419018657 1192722008 /nfs/dbraw/zinc/72/20/08/1192722008.db2.gz HWCOXQHKXSRFDV-IUODEOHRSA-N 0 3 377.441 0.709 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c(OC)c1 ZINC000419016943 1192723261 /nfs/dbraw/zinc/72/32/61/1192723261.db2.gz GFPWBUORJYJCCV-IUODEOHRSA-N 0 3 379.457 0.592 20 0 GCADHN CCCN(CCN(C)C)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000051469631 1192729852 /nfs/dbraw/zinc/72/98/52/1192729852.db2.gz OKWHUUHEKXFQRY-UHFFFAOYSA-N 0 3 399.561 0.929 20 0 GCADHN COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 ZINC000237130631 1192730677 /nfs/dbraw/zinc/73/06/77/1192730677.db2.gz RNHVEIFUDZNNOA-SFHVURJKSA-N 0 3 376.501 0.943 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000419030769 1192732391 /nfs/dbraw/zinc/73/23/91/1192732391.db2.gz HYBCBIQGQPMAAH-SJORKVTESA-N 0 3 389.477 0.649 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000419033615 1192734043 /nfs/dbraw/zinc/73/40/43/1192734043.db2.gz LSZBIGIHUJINEU-IACUBPJLSA-N 0 3 392.431 0.276 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CSc4ccccc43)C2)nn1 ZINC000419038135 1192735759 /nfs/dbraw/zinc/73/57/59/1192735759.db2.gz SWXXTVRTQXONTI-UKRRQHHQSA-N 0 3 386.481 0.864 20 0 GCADHN CCc1cc(N2CCC(NC(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)ncn1 ZINC000419038659 1192735914 /nfs/dbraw/zinc/73/59/14/1192735914.db2.gz FYVSAOSOLRBCDZ-SFHVURJKSA-N 0 3 396.495 0.940 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1N1CCOCC1 ZINC000419044021 1192737904 /nfs/dbraw/zinc/73/79/04/1192737904.db2.gz KZPRLQCLZGOOLJ-ZBFHGGJFSA-N 0 3 390.484 0.369 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1N1CCOCC1 ZINC000419044018 1192738183 /nfs/dbraw/zinc/73/81/83/1192738183.db2.gz KZPRLQCLZGOOLJ-GDBMZVCRSA-N 0 3 390.484 0.369 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000419043934 1192738246 /nfs/dbraw/zinc/73/82/46/1192738246.db2.gz ONYMZLPVMDKMGT-YPMHNXCESA-N 0 3 384.839 0.279 20 0 GCADHN N[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1 ZINC000419059986 1192755578 /nfs/dbraw/zinc/75/55/78/1192755578.db2.gz SIHUFRYOECISOK-SJORKVTESA-N 0 3 384.411 0.863 20 0 GCADHN Cc1nn(-c2ccccc2)cc1CCCNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419059310 1192755682 /nfs/dbraw/zinc/75/56/82/1192755682.db2.gz XIAMUEMPNIBBGG-SFHVURJKSA-N 0 3 385.468 0.334 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000419063551 1192757551 /nfs/dbraw/zinc/75/75/51/1192757551.db2.gz BPHOSFUHOIXMSN-MRXNPFEDSA-N 0 3 395.887 0.609 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000500762443 1192757602 /nfs/dbraw/zinc/75/76/02/1192757602.db2.gz NZKHSFTUBVVJHG-UHFFFAOYSA-N 0 3 399.455 0.280 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c3c(nn2C)CCCC3)CC1=O ZINC000644894106 1192762578 /nfs/dbraw/zinc/76/25/78/1192762578.db2.gz HWXVSSYECJJMOX-AWEZNQCLSA-N 0 3 377.489 0.208 20 0 GCADHN O=C(CN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1)Nc1ccc(F)cc1 ZINC000237842262 1192766084 /nfs/dbraw/zinc/76/60/84/1192766084.db2.gz QIPGIKCUYGTUOC-KRWDZBQOSA-N 0 3 378.448 0.677 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cn1 ZINC000419072411 1192768094 /nfs/dbraw/zinc/76/80/94/1192768094.db2.gz QYHXMXREWJEEPD-BFJAYTPKSA-N 0 3 393.488 0.326 20 0 GCADHN CC(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000410628748 1192771466 /nfs/dbraw/zinc/77/14/66/1192771466.db2.gz YTMWRWIKLFVXDT-SJORKVTESA-N 0 3 378.517 0.646 20 0 GCADHN O=C([C@@H]1CCCC[NH2+]1)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000237938940 1192772133 /nfs/dbraw/zinc/77/21/33/1192772133.db2.gz QDMQUXZNKIUFAG-AWEZNQCLSA-N 0 3 377.470 0.538 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000509723255 1192780090 /nfs/dbraw/zinc/78/00/90/1192780090.db2.gz WXGXDGPSWRHHQD-CYBMUJFWSA-N 0 3 382.427 0.166 20 0 GCADHN CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419089135 1192781161 /nfs/dbraw/zinc/78/11/61/1192781161.db2.gz NPGLHGICIHVOLC-GUYCJALGSA-N 0 3 391.493 0.895 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCOC3CCCCCC3)C2)nn1 ZINC000419089151 1192781189 /nfs/dbraw/zinc/78/11/89/1192781189.db2.gz NSSOWOLSUUVZLR-MRXNPFEDSA-N 0 3 392.504 0.756 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000419090131 1192781358 /nfs/dbraw/zinc/78/13/58/1192781358.db2.gz BAEUUJPGOZJATK-GWCFXTLKSA-N 0 3 391.403 0.721 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419089133 1192781493 /nfs/dbraw/zinc/78/14/93/1192781493.db2.gz NPGLHGICIHVOLC-CXAGYDPISA-N 0 3 391.493 0.895 20 0 GCADHN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N1CCNCC1 ZINC000419098835 1192785563 /nfs/dbraw/zinc/78/55/63/1192785563.db2.gz OURSPRLMSMZYFQ-OAHLLOKOSA-N 0 3 384.402 0.828 20 0 GCADHN CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419121858 1192794725 /nfs/dbraw/zinc/79/47/25/1192794725.db2.gz DYECIOKDNGDDPC-GOEBONIOSA-N 0 3 390.484 0.381 20 0 GCADHN CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419121859 1192794882 /nfs/dbraw/zinc/79/48/82/1192794882.db2.gz DYECIOKDNGDDPC-HOCLYGCPSA-N 0 3 390.484 0.381 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000419122257 1192795046 /nfs/dbraw/zinc/79/50/46/1192795046.db2.gz WLEMYBAFZDULQN-NVXWUHKLSA-N 0 3 395.525 0.989 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000419123570 1192795117 /nfs/dbraw/zinc/79/51/17/1192795117.db2.gz HBYPRIBAGQEFFV-HIFRSBDPSA-N 0 3 388.468 0.311 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000419127707 1192797820 /nfs/dbraw/zinc/79/78/20/1192797820.db2.gz SBGYQHRFBKYCIL-RISCZKNCSA-N 0 3 396.875 0.415 20 0 GCADHN COc1cc2c(cc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)O[C@@H](C)C2 ZINC000419119059 1192803539 /nfs/dbraw/zinc/80/35/39/1192803539.db2.gz AUBZKFHQEOHNDS-HUBLWGQQSA-N 0 3 391.468 0.864 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC1CCN(c2nccs2)CC1 ZINC000419131269 1192805868 /nfs/dbraw/zinc/80/58/68/1192805868.db2.gz CGNHFRBYEQMYNC-WCQYABFASA-N 0 3 381.502 0.457 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000419154243 1192811797 /nfs/dbraw/zinc/81/17/97/1192811797.db2.gz QBCDPLVQJHBICU-NVXWUHKLSA-N 0 3 399.495 0.971 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)cc1 ZINC000432852224 1192814496 /nfs/dbraw/zinc/81/44/96/1192814496.db2.gz QNXHBOPXYOMFNA-SFHVURJKSA-N 0 3 394.541 0.675 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000419146435 1192814666 /nfs/dbraw/zinc/81/46/66/1192814666.db2.gz AYTAYYZXKLQHGG-JSGCOSHPSA-N 0 3 377.441 0.693 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000419158370 1192816553 /nfs/dbraw/zinc/81/65/53/1192816553.db2.gz MUHACIXTBYQCEP-UKRRQHHQSA-N 0 3 397.497 0.196 20 0 GCADHN CC(C)CSCCCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419162371 1192820294 /nfs/dbraw/zinc/82/02/94/1192820294.db2.gz HCCRRRYCJIKXSJ-HNNXBMFYSA-N 0 3 382.534 0.796 20 0 GCADHN CCn1c(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)nc2ccccc21 ZINC000419164088 1192821615 /nfs/dbraw/zinc/82/16/15/1192821615.db2.gz YDDFYFMMEFEAEU-ZFWWWQNUSA-N 0 3 387.484 0.944 20 0 GCADHN O=C(NCCOc1ccccc1-c1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419164217 1192821697 /nfs/dbraw/zinc/82/16/97/1192821697.db2.gz YHABOMAHOVYTQX-KRWDZBQOSA-N 0 3 383.448 0.953 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000419176856 1192828844 /nfs/dbraw/zinc/82/88/44/1192828844.db2.gz CHFRQCQDKBZQIZ-XJKSGUPXSA-N 0 3 385.468 0.933 20 0 GCADHN CC(C)NS(=O)(=O)c1cccnc1NCCCCN1CCN(CCO)CC1 ZINC000432861723 1192828601 /nfs/dbraw/zinc/82/86/01/1192828601.db2.gz CJBKLFQPYVLHDW-UHFFFAOYSA-N 0 3 399.561 0.570 20 0 GCADHN Cc1ccn(C[C@](C)(O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(=O)c1 ZINC000279934203 1192839370 /nfs/dbraw/zinc/83/93/70/1192839370.db2.gz WSQUWJMOLZAQGZ-KNQAVFIVSA-N 0 3 399.491 0.443 20 0 GCADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)N3CCCNCC3)C2)c1 ZINC000419200790 1192841896 /nfs/dbraw/zinc/84/18/96/1192841896.db2.gz MJWGZCYWXRYXHF-CQSZACIVSA-N 0 3 376.457 0.221 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000663847133 1192843693 /nfs/dbraw/zinc/84/36/93/1192843693.db2.gz PXKOCJXYCNIVRS-UHFFFAOYSA-N 0 3 381.443 0.675 20 0 GCADHN CCN(CC)CC(=O)N1CCN([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000728929873 1192859730 /nfs/dbraw/zinc/85/97/30/1192859730.db2.gz BEIKZNDROKOKPA-CYBMUJFWSA-N 0 3 395.529 0.660 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000473342930 1192871414 /nfs/dbraw/zinc/87/14/14/1192871414.db2.gz GVTRZMSPRLTLIP-HNNXBMFYSA-N 0 3 387.440 0.277 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)[C@@H]3CCOC3)c2)CC1 ZINC000473371279 1192879505 /nfs/dbraw/zinc/87/95/05/1192879505.db2.gz SSLWFGDPOVBSHJ-QAPCUYQASA-N 0 3 390.484 0.281 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](CCO)CSC)c2)CC1 ZINC000473377852 1192881044 /nfs/dbraw/zinc/88/10/44/1192881044.db2.gz DKFBVROXNDYESW-MRXNPFEDSA-N 0 3 394.541 0.997 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCc3ccn(C)n3)c2)CC1 ZINC000473404254 1192887659 /nfs/dbraw/zinc/88/76/59/1192887659.db2.gz CWWIOYXYMYPYEF-UHFFFAOYSA-N 0 3 384.484 0.859 20 0 GCADHN CCOc1cccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)c1OC(F)F ZINC000419209406 1192888489 /nfs/dbraw/zinc/88/84/89/1192888489.db2.gz WTGKCGQMONRPAE-LBPRGKRZSA-N 0 3 387.383 0.408 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](CO)OC[C@@H]3C)c2)CC1 ZINC000473408922 1192891099 /nfs/dbraw/zinc/89/10/99/1192891099.db2.gz QRDGQAMTNYANJI-MAUKXSAKSA-N 0 3 390.484 0.375 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@@H]4C3)c2)CC1 ZINC000473413575 1192892401 /nfs/dbraw/zinc/89/24/01/1192892401.db2.gz KCQHCGJXOHJQFT-GOSISDBHSA-N 0 3 399.495 0.600 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000549846515 1192897240 /nfs/dbraw/zinc/89/72/40/1192897240.db2.gz KENLPAWFJRBKRE-UHFFFAOYSA-N 0 3 390.459 0.251 20 0 GCADHN CC(=O)N[C@@H](CC(=O)Nc1ccc(CCN2CCSCC2)cc1)C(N)=O ZINC000468976358 1192900856 /nfs/dbraw/zinc/90/08/56/1192900856.db2.gz NGKMCWIVEFKKBX-INIZCTEOSA-N 0 3 378.498 0.597 20 0 GCADHN CCN1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(OC)c2)CC1 ZINC000410878647 1192910970 /nfs/dbraw/zinc/91/09/70/1192910970.db2.gz ZATYKSIRONYCRV-UHFFFAOYSA-N 0 3 376.501 0.750 20 0 GCADHN COc1ccc(CNC(=O)NCCCCN2CCN(CCO)CC2)cc1O ZINC000512582709 1192911621 /nfs/dbraw/zinc/91/16/21/1192911621.db2.gz OPEUYQAAEGPLDT-UHFFFAOYSA-N 0 3 380.489 0.590 20 0 GCADHN CN(CC(=O)N[C@@H]1CCN2CCCC[C@H]12)C1=NS(=O)(=O)c2ccccc21 ZINC000046998178 1192912895 /nfs/dbraw/zinc/91/28/95/1192912895.db2.gz UPXJFKUPPKHDJS-HUUCEWRRSA-N 0 3 376.482 0.810 20 0 GCADHN CCN(CCNCC(=O)N1CCC[C@H](C)C1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268470218 1192922199 /nfs/dbraw/zinc/92/21/99/1192922199.db2.gz ZJBZWOBNIVYYHL-LSTDLKDCSA-N 0 3 381.517 0.735 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)CC2)oc1C ZINC000575769530 1192923525 /nfs/dbraw/zinc/92/35/25/1192923525.db2.gz AKYWVFZSBOQETN-CVEARBPZSA-N 0 3 375.473 0.098 20 0 GCADHN CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCCN(CC)CCO)cc1 ZINC000274496493 1184077471 /nfs/dbraw/zinc/07/74/71/1184077471.db2.gz UFWOBYKBMHLSCW-CQSZACIVSA-N 0 3 378.473 0.584 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000274521106 1184085368 /nfs/dbraw/zinc/08/53/68/1184085368.db2.gz YMJPUZUYLPKSHA-UHFFFAOYSA-N 0 3 382.436 0.031 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000274521141 1184085394 /nfs/dbraw/zinc/08/53/94/1184085394.db2.gz NFPHTWNOQNLQTI-AWEZNQCLSA-N 0 3 376.457 0.539 20 0 GCADHN COc1ccc(OC)c(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000274528081 1184088097 /nfs/dbraw/zinc/08/80/97/1184088097.db2.gz OYHJEWDEARGOMR-CQSZACIVSA-N 0 3 378.473 0.785 20 0 GCADHN O=C(NCCN1CCc2ccccc2C1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000579691376 1184089950 /nfs/dbraw/zinc/08/99/50/1184089950.db2.gz OQJKMYKGYXEAOS-FQEVSTJZSA-N 0 3 399.539 0.898 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3ccc(C(N)=O)o3)c2)CC1 ZINC000274539634 1184092398 /nfs/dbraw/zinc/09/23/98/1184092398.db2.gz RKVCAEPIMSUNQR-UHFFFAOYSA-N 0 3 399.451 0.775 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000579694022 1184093067 /nfs/dbraw/zinc/09/30/67/1184093067.db2.gz VAPCJFKABVEBHB-SQNIBIBYSA-N 0 3 382.549 0.696 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)CC(=O)OC)c2)CC1 ZINC000274545969 1184093739 /nfs/dbraw/zinc/09/37/39/1184093739.db2.gz SWXFABHFMGKXDI-AWEZNQCLSA-N 0 3 376.457 0.835 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000108929532 1184093941 /nfs/dbraw/zinc/09/39/41/1184093941.db2.gz FLAYUERQQJKWPE-MRXNPFEDSA-N 0 3 391.491 0.977 20 0 GCADHN COC(=O)c1ccc(F)c(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000274546007 1184094088 /nfs/dbraw/zinc/09/40/88/1184094088.db2.gz SYCOPIVZXKTDJL-CYBMUJFWSA-N 0 3 394.447 0.693 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000274545552 1184094355 /nfs/dbraw/zinc/09/43/55/1184094355.db2.gz LTHYMWMSKBUTPR-UHFFFAOYSA-N 0 3 387.477 0.654 20 0 GCADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000579711968 1184104583 /nfs/dbraw/zinc/10/45/83/1184104583.db2.gz LASMDIRYZUANLI-CQSZACIVSA-N 0 3 398.471 0.747 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000274601149 1184114609 /nfs/dbraw/zinc/11/46/09/1184114609.db2.gz WZQDPTGTLQJRDJ-KRWDZBQOSA-N 0 3 397.541 0.826 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000274603785 1184116304 /nfs/dbraw/zinc/11/63/04/1184116304.db2.gz XLWQBSXDYCHBSM-ULQDDVLXSA-N 0 3 379.501 0.783 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000274605878 1184117763 /nfs/dbraw/zinc/11/77/63/1184117763.db2.gz MJSPBMJIZGKUKQ-VBKZILBWSA-N 0 3 387.484 0.497 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 ZINC000274607078 1184118033 /nfs/dbraw/zinc/11/80/33/1184118033.db2.gz YJHIOKMDQGJYII-AWEZNQCLSA-N 0 3 379.457 0.487 20 0 GCADHN CCN1CCN(CCCNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 ZINC000274619605 1184122387 /nfs/dbraw/zinc/12/23/87/1184122387.db2.gz SRUMBXJFEIRRMH-UHFFFAOYSA-N 0 3 383.518 0.089 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000274626056 1184125223 /nfs/dbraw/zinc/12/52/23/1184125223.db2.gz RFTIORDENSJPLJ-XYPHTWIQSA-N 0 3 392.525 0.833 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccnc2OC(C)C)CC1 ZINC000616368551 1184146841 /nfs/dbraw/zinc/14/68/41/1184146841.db2.gz UEUFAHWVJQTNJZ-OAHLLOKOSA-N 0 3 377.489 0.950 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000605240202 1184156300 /nfs/dbraw/zinc/15/63/00/1184156300.db2.gz FWQNROSBMHWQMA-NSHDSACASA-N 0 3 389.424 0.907 20 0 GCADHN COc1cc(OC)cc(C(=O)NCC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000274699533 1184194962 /nfs/dbraw/zinc/19/49/62/1184194962.db2.gz XZYDUEVYYDAILD-OAHLLOKOSA-N 0 3 392.500 0.576 20 0 GCADHN CCN(C)C(=O)CNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000274715153 1184213497 /nfs/dbraw/zinc/21/34/97/1184213497.db2.gz AXLKNTYSFJTVLP-UHFFFAOYSA-N 0 3 375.473 0.362 20 0 GCADHN O=C(Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654948689 1184219564 /nfs/dbraw/zinc/21/95/64/1184219564.db2.gz FPFFOXDOUMQAQQ-BQFCYCMXSA-N 0 3 386.452 0.983 20 0 GCADHN O=C(Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654948692 1184219682 /nfs/dbraw/zinc/21/96/82/1184219682.db2.gz FPFFOXDOUMQAQQ-RYRKJORJSA-N 0 3 386.452 0.983 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000654946357 1184221779 /nfs/dbraw/zinc/22/17/79/1184221779.db2.gz JHYBTSZGNFZGFH-DLBZAZTESA-N 0 3 388.468 0.883 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000510075481 1184232456 /nfs/dbraw/zinc/23/24/56/1184232456.db2.gz ZWOYPBKFWPJJBL-UHFFFAOYSA-N 0 3 393.429 0.404 20 0 GCADHN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnnn2CCN(C)C)CC1 ZINC000510082280 1184259238 /nfs/dbraw/zinc/25/92/38/1184259238.db2.gz DNVPWFDGCWHMGN-GFCCVEGCSA-N 0 3 384.506 0.517 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000655073689 1184276454 /nfs/dbraw/zinc/27/64/54/1184276454.db2.gz BBXXQSLPQBGCRZ-BLVKFPJESA-N 0 3 379.407 0.891 20 0 GCADHN CSc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000066219941 1184290459 /nfs/dbraw/zinc/29/04/59/1184290459.db2.gz DAHNJGXOODOTAB-AWEZNQCLSA-N 0 3 393.513 0.801 20 0 GCADHN Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnnn2CCN(C)C)cc1 ZINC000510095123 1184293520 /nfs/dbraw/zinc/29/35/20/1184293520.db2.gz HJROQSGRZHVOMD-UHFFFAOYSA-N 0 3 391.501 0.732 20 0 GCADHN CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000683219988 1184301595 /nfs/dbraw/zinc/30/15/95/1184301595.db2.gz IPUZKMQRMKKRSM-ROUUACIJSA-N 0 3 395.525 0.818 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000579843754 1184316197 /nfs/dbraw/zinc/31/61/97/1184316197.db2.gz UBYLPAHTUYFHSP-SFHVURJKSA-N 0 3 395.935 0.678 20 0 GCADHN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000683238850 1184330990 /nfs/dbraw/zinc/33/09/90/1184330990.db2.gz ZORZBFPEIVBQOG-OAHLLOKOSA-N 0 3 383.456 0.818 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H]1O)N1CCCC1 ZINC000969511833 1184332797 /nfs/dbraw/zinc/33/27/97/1184332797.db2.gz CFUHZUDRWJKPFD-XOUADPBQSA-N 0 3 375.473 0.076 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)N3CCN(C(=O)[C@H](C)O)CC3)c2)CC1 ZINC000274803917 1184337298 /nfs/dbraw/zinc/33/72/98/1184337298.db2.gz LFLUREKLZHKPBV-INIZCTEOSA-N 0 3 389.500 0.885 20 0 GCADHN CCCN1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2C1 ZINC000579854434 1184341576 /nfs/dbraw/zinc/34/15/76/1184341576.db2.gz YXCGCTYBCOOBEJ-GOEBONIOSA-N 0 3 385.468 0.121 20 0 GCADHN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cs1 ZINC000579853649 1184343319 /nfs/dbraw/zinc/34/33/19/1184343319.db2.gz YAJHIPAMONRVLI-NWDGAFQWSA-N 0 3 379.486 0.441 20 0 GCADHN CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)C ZINC000969583412 1184347174 /nfs/dbraw/zinc/34/71/74/1184347174.db2.gz DYTUGIAFAQWBTE-MCEUPANISA-N 0 3 379.501 0.580 20 0 GCADHN Cc1ccc([C@H](CNC(=O)N(CCO)CCN2CCOCC2)N(C)C)cc1 ZINC000119577782 1184358445 /nfs/dbraw/zinc/35/84/45/1184358445.db2.gz ZXOKFIAAVHOADF-IBGZPJMESA-N 0 3 378.517 0.934 20 0 GCADHN O=C([C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294236 1184360055 /nfs/dbraw/zinc/36/00/55/1184360055.db2.gz PSQQSBPMEDSPGA-RYQLBKOJSA-N 0 3 375.444 0.494 20 0 GCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000070965382 1184378785 /nfs/dbraw/zinc/37/87/85/1184378785.db2.gz LBGOMWKNIKRHMP-ZDUSSCGKSA-N 0 3 376.457 0.936 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)CCN2C1=O ZINC000579860640 1184382628 /nfs/dbraw/zinc/38/26/28/1184382628.db2.gz NXXXJPYUWQPPOH-RYUDHWBXSA-N 0 3 386.433 0.923 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)CCN2C1=O ZINC000579860639 1184382767 /nfs/dbraw/zinc/38/27/67/1184382767.db2.gz NXXXJPYUWQPPOH-NWDGAFQWSA-N 0 3 386.433 0.923 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000430255409 1184383282 /nfs/dbraw/zinc/38/32/82/1184383282.db2.gz WFNXVDJGPUGEQH-NRFANRHFSA-N 0 3 388.512 0.593 20 0 GCADHN COc1cccc(OC)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000274883890 1184415896 /nfs/dbraw/zinc/41/58/96/1184415896.db2.gz PORQAWSQYHRCHV-CQSZACIVSA-N 0 3 397.497 0.631 20 0 GCADHN CNC(=O)[C@@]1(C)CCN([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430269358 1184420432 /nfs/dbraw/zinc/42/04/32/1184420432.db2.gz NZNSEFFUHBXXOZ-XOBRGWDASA-N 0 3 375.469 0.963 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000274944760 1184437454 /nfs/dbraw/zinc/43/74/54/1184437454.db2.gz REJQJDBLKHHDGG-UHFFFAOYSA-N 0 3 387.506 0.594 20 0 GCADHN C[C@@H](CNC(=O)CS(=O)(=O)NC1CCC(C)CC1)CN1CCN(C)CC1 ZINC000109363988 1184452700 /nfs/dbraw/zinc/45/27/00/1184452700.db2.gz ZGFSRQRFTFYOGK-CGZBRXJRSA-N 0 3 388.578 0.484 20 0 GCADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000246116860 1184466115 /nfs/dbraw/zinc/46/61/15/1184466115.db2.gz ACRGXMVHSOTVES-GVDBMIGSSA-N 0 3 377.533 0.950 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)CCN3CCCS3(=O)=O)CC2)C[C@H](C)O1 ZINC000363342482 1184467868 /nfs/dbraw/zinc/46/78/68/1184467868.db2.gz CXZNVTSSUQTYAG-IYBDPMFKSA-N 0 3 387.546 0.760 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000154759325 1184469201 /nfs/dbraw/zinc/46/92/01/1184469201.db2.gz RYBXFLAUUKTOGJ-UHFFFAOYSA-N 0 3 396.451 0.503 20 0 GCADHN C[C@H](C(=O)NC(N)=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000471235111 1184491333 /nfs/dbraw/zinc/49/13/33/1184491333.db2.gz NRGIQCHSOGUZIZ-OAHLLOKOSA-N 0 3 389.500 0.530 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000109419407 1184493847 /nfs/dbraw/zinc/49/38/47/1184493847.db2.gz PWKOIKFOKKZRPJ-UHFFFAOYSA-N 0 3 389.529 0.671 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)COC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000748091869 1184502121 /nfs/dbraw/zinc/50/21/21/1184502121.db2.gz OKWQQOMIYMJWHV-HNNXBMFYSA-N 0 3 384.521 0.765 20 0 GCADHN O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000535632989 1184514665 /nfs/dbraw/zinc/51/46/65/1184514665.db2.gz TZEDGIDACWWSGJ-IRXDYDNUSA-N 0 3 388.468 0.318 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC1 ZINC000655539215 1184514893 /nfs/dbraw/zinc/51/48/93/1184514893.db2.gz WBVSMYWITFSNFI-KRWDZBQOSA-N 0 3 391.493 0.743 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CCC4CCOCC4)C[C@@H]32)C1 ZINC001083194489 1184517035 /nfs/dbraw/zinc/51/70/35/1184517035.db2.gz QPEOEQVRAZBRJB-VSZNYVQBSA-N 0 3 379.501 0.616 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1cccc(N2CCOCC2)n1 ZINC000275111867 1184519300 /nfs/dbraw/zinc/51/93/00/1184519300.db2.gz YHPVLNGQRXPFMR-KRWDZBQOSA-N 0 3 390.532 0.743 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)NCCNS(C)(=O)=O)c1cccc(OC)c1 ZINC000045867369 1184530473 /nfs/dbraw/zinc/53/04/73/1184530473.db2.gz VVYFAORVCOYTFF-INIZCTEOSA-N 0 3 386.518 0.927 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000275158717 1184536861 /nfs/dbraw/zinc/53/68/61/1184536861.db2.gz QZGXZTVBPZJQDB-UHFFFAOYSA-N 0 3 392.431 0.876 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000655550471 1184546904 /nfs/dbraw/zinc/54/69/04/1184546904.db2.gz MZZLUPRORIMPJV-KRWDZBQOSA-N 0 3 397.545 0.909 20 0 GCADHN CCOc1cc2c(cc1NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1)OCCO2 ZINC000275233721 1184561879 /nfs/dbraw/zinc/56/18/79/1184561879.db2.gz FQKRJUYDQQUDMU-CYBMUJFWSA-N 0 3 393.440 0.584 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275258925 1184568383 /nfs/dbraw/zinc/56/83/83/1184568383.db2.gz IFSHVGVCSBYVIE-SJORKVTESA-N 0 3 375.473 0.053 20 0 GCADHN CN(C)Cc1ccoc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1O ZINC000970145979 1184590461 /nfs/dbraw/zinc/59/04/61/1184590461.db2.gz ZLJJUGKXFYUUMR-XOUADPBQSA-N 0 3 387.440 0.170 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C(C)(C)C)on2)CC1 ZINC000510187393 1184601573 /nfs/dbraw/zinc/60/15/73/1184601573.db2.gz YCESBPLNIZFXNV-UHFFFAOYSA-N 0 3 393.488 0.923 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc3cc[nH]c32)CC1 ZINC000547802368 1184609571 /nfs/dbraw/zinc/60/95/71/1184609571.db2.gz AMVHVEYBWWQWQA-UHFFFAOYSA-N 0 3 383.452 0.873 20 0 GCADHN CC(C)CNC(=O)NC(=O)CN[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001266421185 1184610527 /nfs/dbraw/zinc/61/05/27/1184610527.db2.gz OWONNQOZALOIAE-ZHHZMWCQSA-N 0 3 392.500 0.376 20 0 GCADHN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@H](CN(C)C)C1 ZINC000155339495 1184620155 /nfs/dbraw/zinc/62/01/55/1184620155.db2.gz IEGANBVRYUNGOD-HZPDHXFCSA-N 0 3 378.473 0.215 20 0 GCADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000430388695 1184639537 /nfs/dbraw/zinc/63/95/37/1184639537.db2.gz YWQQVIMJESVGAR-KRWDZBQOSA-N 0 3 383.537 0.029 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000275392914 1184650599 /nfs/dbraw/zinc/65/05/99/1184650599.db2.gz GTQUVISWIPTGFP-UHFFFAOYSA-N 0 3 376.457 0.046 20 0 GCADHN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000275400197 1184652217 /nfs/dbraw/zinc/65/22/17/1184652217.db2.gz IMAXCWRCFTTYOU-UHFFFAOYSA-N 0 3 387.440 0.926 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1(C)C ZINC000275407562 1184655911 /nfs/dbraw/zinc/65/59/11/1184655911.db2.gz CLZXFJKKDLPIJO-JXFKEZNVSA-N 0 3 375.517 0.982 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2c(C)csc2C(=O)OC)CC1 ZINC000275433021 1184665809 /nfs/dbraw/zinc/66/58/09/1184665809.db2.gz JCCOMMDBCPPMTD-UHFFFAOYSA-N 0 3 382.486 0.535 20 0 GCADHN Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000275430317 1184665879 /nfs/dbraw/zinc/66/58/79/1184665879.db2.gz OFLHXJJVPUHWDC-UHFFFAOYSA-N 0 3 376.457 0.426 20 0 GCADHN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CCNC(=O)C2CC2)C1 ZINC001167251813 1184666723 /nfs/dbraw/zinc/66/67/23/1184666723.db2.gz KVQJVEGOHFMYIM-HNNXBMFYSA-N 0 3 382.505 0.866 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N(C)CCN(C)C)cc2)C[C@H](C)O1 ZINC000275438472 1184668166 /nfs/dbraw/zinc/66/81/66/1184668166.db2.gz PYDFXRCEXILKGZ-GASCZTMLSA-N 0 3 390.484 0.895 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000275438382 1184669020 /nfs/dbraw/zinc/66/90/20/1184669020.db2.gz PVDPHDVPTRGRSU-UHFFFAOYSA-N 0 3 396.875 0.771 20 0 GCADHN COCCO[C@H]1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2OC)C1 ZINC000275442725 1184672415 /nfs/dbraw/zinc/67/24/15/1184672415.db2.gz AFLNLDBKNMVHKN-HOTGVXAUSA-N 0 3 383.441 0.959 20 0 GCADHN COCCO[C@@H]1CCN(C[C@@H](O)COc2ccc(C(=O)OC)cc2OC)C1 ZINC000275442731 1184672439 /nfs/dbraw/zinc/67/24/39/1184672439.db2.gz AFLNLDBKNMVHKN-HZPDHXFCSA-N 0 3 383.441 0.959 20 0 GCADHN CN1CCN(CCCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000121138270 1184681156 /nfs/dbraw/zinc/68/11/56/1184681156.db2.gz WNEUDKDSZAVNLR-UHFFFAOYSA-N 0 3 380.514 0.594 20 0 GCADHN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000430412525 1184687498 /nfs/dbraw/zinc/68/74/98/1184687498.db2.gz DUNLCWTYDWSGHZ-DLBZAZTESA-N 0 3 375.469 0.812 20 0 GCADHN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000430412526 1184687609 /nfs/dbraw/zinc/68/76/09/1184687609.db2.gz DUNLCWTYDWSGHZ-IAGOWNOFSA-N 0 3 375.469 0.812 20 0 GCADHN CCO[C@@H]1C[C@@](CO)(NCC(=O)NCc2ccc(OCC(N)=O)cc2)C1(C)C ZINC000275500021 1184689414 /nfs/dbraw/zinc/68/94/14/1184689414.db2.gz GQZGZLQLGCYMPG-UZLBHIALSA-N 0 3 393.484 0.323 20 0 GCADHN CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)COC3CNC3)CC2)cc1 ZINC000430419687 1184704203 /nfs/dbraw/zinc/70/42/03/1184704203.db2.gz UHDPUYKHNSTCJI-OAHLLOKOSA-N 0 3 375.469 0.676 20 0 GCADHN COCCN(C(=O)C(=O)Nc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000275570836 1184722256 /nfs/dbraw/zinc/72/22/56/1184722256.db2.gz CCDPPCJVVPTFBH-INIZCTEOSA-N 0 3 397.497 0.349 20 0 GCADHN COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000890867939 1184733870 /nfs/dbraw/zinc/73/38/70/1184733870.db2.gz IZOPUDDZGCANBQ-SJORKVTESA-N 0 3 375.469 0.687 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000332959718 1184747744 /nfs/dbraw/zinc/74/77/44/1184747744.db2.gz CQDUPAQERXLHOO-AEFFLSMTSA-N 0 3 399.495 0.740 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000333004480 1184749913 /nfs/dbraw/zinc/74/99/13/1184749913.db2.gz MOSDOWBSQMJANO-SJORKVTESA-N 0 3 394.516 0.663 20 0 GCADHN CC(C)CNC(=O)C1CCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000890898321 1184750933 /nfs/dbraw/zinc/75/09/33/1184750933.db2.gz RTSVROKJGCFZIR-IBGZPJMESA-N 0 3 396.576 0.944 20 0 GCADHN CCn1cc(CCN2CC([C@H](C)NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cn1 ZINC000970206038 1184753375 /nfs/dbraw/zinc/75/33/75/1184753375.db2.gz XADPZDPLLKFNJN-UDTPNQRGSA-N 0 3 376.501 0.934 20 0 GCADHN Cn1cc(-c2[nH]ncc2C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cn1 ZINC000275586582 1184754898 /nfs/dbraw/zinc/75/48/98/1184754898.db2.gz RAQLMMBWLDRDNB-UHFFFAOYSA-N 0 3 385.472 0.581 20 0 GCADHN C[C@@H]1CN(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CCN(C2CC2)C1 ZINC000655638664 1184759976 /nfs/dbraw/zinc/75/99/76/1184759976.db2.gz QCRCNCJKLSXTAM-KSMMKXTCSA-N 0 3 377.489 0.833 20 0 GCADHN C[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CCN(C2CC2)C1 ZINC000655638662 1184760405 /nfs/dbraw/zinc/76/04/05/1184760405.db2.gz QCRCNCJKLSXTAM-CKFHNAJUSA-N 0 3 377.489 0.833 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)NCCCn3ccc(=O)[nH]c3=O)CC2)c1 ZINC000890929266 1184774926 /nfs/dbraw/zinc/77/49/26/1184774926.db2.gz COHDLTIWTLLWOQ-UHFFFAOYSA-N 0 3 399.495 0.976 20 0 GCADHN C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000275592966 1184780108 /nfs/dbraw/zinc/78/01/08/1184780108.db2.gz JRUBKMQDUWOESC-RCBQFDQVSA-N 0 3 396.513 0.898 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000647087563 1184812688 /nfs/dbraw/zinc/81/26/88/1184812688.db2.gz KKHCHIMOJLIAKM-CVEARBPZSA-N 0 3 398.533 0.495 20 0 GCADHN CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000647087377 1184813270 /nfs/dbraw/zinc/81/32/70/1184813270.db2.gz QUGNBRJBSROYQN-OAHLLOKOSA-N 0 3 392.485 0.512 20 0 GCADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000275611891 1184819906 /nfs/dbraw/zinc/81/99/06/1184819906.db2.gz ITIYAZVCZPGBPX-HOTGVXAUSA-N 0 3 377.441 0.520 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000275620178 1184829960 /nfs/dbraw/zinc/82/99/60/1184829960.db2.gz MTIROPMWROOIAE-XHSDSOJGSA-N 0 3 392.504 0.492 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)CN1CCN(C)CC1 ZINC000556356653 1184899621 /nfs/dbraw/zinc/89/96/21/1184899621.db2.gz NZNPPZGHYZDGRG-HNNXBMFYSA-N 0 3 392.548 0.665 20 0 GCADHN O=C(NCCN1CCNC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000891079834 1184912656 /nfs/dbraw/zinc/91/26/56/1184912656.db2.gz OYUMHNUCQNRDKJ-IAGOWNOFSA-N 0 3 375.473 0.194 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCN(c2nccs2)CC1 ZINC000888958454 1184914261 /nfs/dbraw/zinc/91/42/61/1184914261.db2.gz VEAXETROWGJVQT-ZDUSSCGKSA-N 0 3 380.518 0.873 20 0 GCADHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000430469740 1184918372 /nfs/dbraw/zinc/91/83/72/1184918372.db2.gz KCDUUAJZYRXDAP-VVLHAWIVSA-N 0 3 378.517 0.739 20 0 GCADHN COCCN1C(=O)CCc2cc(NC(=O)NC[C@@]3(O)CCN(C)C3)ccc21 ZINC000548011555 1184948113 /nfs/dbraw/zinc/94/81/13/1184948113.db2.gz JHKWQDOQCIDTBM-IBGZPJMESA-N 0 3 376.457 0.800 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000041661259 1184963775 /nfs/dbraw/zinc/96/37/75/1184963775.db2.gz NVCUIQFHKUUVEB-UHFFFAOYSA-N 0 3 387.484 0.409 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(Cn3cccn3)c2)CC1 ZINC000041719136 1184964715 /nfs/dbraw/zinc/96/47/15/1184964715.db2.gz HVAHCUWJVXHZTP-UHFFFAOYSA-N 0 3 384.484 0.624 20 0 GCADHN CN1CCN(C(=O)Cc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)CC1 ZINC000188736449 1184972119 /nfs/dbraw/zinc/97/21/19/1184972119.db2.gz QAUNKRSIKPUSCF-UHFFFAOYSA-N 0 3 382.468 0.624 20 0 GCADHN COCCN1CC[C@@H](NC(=O)Nc2ccc(C(=O)NCCC(N)=O)cc2)C1 ZINC001670499945 1184991184 /nfs/dbraw/zinc/99/11/84/1184991184.db2.gz ASDHTGLPCWCDEL-OAHLLOKOSA-N 0 3 377.445 0.134 20 0 GCADHN CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)n1 ZINC000656066966 1184999572 /nfs/dbraw/zinc/99/95/72/1184999572.db2.gz KJRAOPNJBSZEGT-CQSZACIVSA-N 0 3 377.493 0.521 20 0 GCADHN CCN1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000548037861 1185000709 /nfs/dbraw/zinc/00/07/09/1185000709.db2.gz VBRNFFGOTNKRJY-WBVHZDCISA-N 0 3 399.488 0.504 20 0 GCADHN O=S(=O)(NC[C@@H]1CCN(C2CC2)C1)c1ccccc1S(=O)(=O)NC1CC1 ZINC000548043443 1185011105 /nfs/dbraw/zinc/01/11/05/1185011105.db2.gz HICIFEUBVBZVTB-ZDUSSCGKSA-N 0 3 399.538 0.890 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)c3ncn(C)n3)c2)CC1 ZINC000275750113 1185015002 /nfs/dbraw/zinc/01/50/02/1185015002.db2.gz XQDCFHALHOITOT-CQSZACIVSA-N 0 3 385.472 0.773 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CC1 ZINC000275750069 1185017766 /nfs/dbraw/zinc/01/77/66/1185017766.db2.gz XPQPHVKFYCVYRR-UHFFFAOYSA-N 0 3 377.441 0.630 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275759362 1185032595 /nfs/dbraw/zinc/03/25/95/1185032595.db2.gz VBJYDLKIMNTQDD-ZWKOTPCHSA-N 0 3 390.484 0.963 20 0 GCADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)Nc2ccc(S(C)(=O)=O)cn2)cn1 ZINC000891199885 1185035865 /nfs/dbraw/zinc/03/58/65/1185035865.db2.gz PTWUDIIRTMEJMS-GJZGRUSLSA-N 0 3 377.470 0.893 20 0 GCADHN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)NCC(=O)N3CCNCC3)[nH]c2c1 ZINC000580054747 1185036785 /nfs/dbraw/zinc/03/67/85/1185036785.db2.gz KWHBDRXGDXZDPU-INIZCTEOSA-N 0 3 398.467 0.083 20 0 GCADHN CO[C@H](c1ccccc1F)[C@H](C)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000580056844 1185038622 /nfs/dbraw/zinc/03/86/22/1185038622.db2.gz JMIYGHZVUVDGFV-WFASDCNBSA-N 0 3 378.452 0.689 20 0 GCADHN CN(CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CCO1 ZINC000275768528 1185039380 /nfs/dbraw/zinc/03/93/80/1185039380.db2.gz SCNSFLWLOZVWLH-ZHALLVOQSA-N 0 3 389.500 0.259 20 0 GCADHN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000580066377 1185041191 /nfs/dbraw/zinc/04/11/91/1185041191.db2.gz DMSGXRPVMNAGQB-QWHCGFSZSA-N 0 3 392.485 0.872 20 0 GCADHN CCOc1ccc(-n2ncc(C(=O)NC[C@@]3(O)CN4CCC3CC4)c2C)nn1 ZINC000580094455 1185058957 /nfs/dbraw/zinc/05/89/57/1185058957.db2.gz XUPIPPAUHYGPRT-LJQANCHMSA-N 0 3 386.456 0.556 20 0 GCADHN O=C(COc1ccccc1CNC(=O)[C@H]1C[C@H](F)CN1)NC[C@H]1CCCO1 ZINC000275796999 1185070973 /nfs/dbraw/zinc/07/09/73/1185070973.db2.gz WDGGKBLYDPKVFH-ARFHVFGLSA-N 0 3 379.432 0.677 20 0 GCADHN COCCN1CCC(NC(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)CC1 ZINC000683826008 1185097029 /nfs/dbraw/zinc/09/70/29/1185097029.db2.gz VLDQVTRHPUXWOQ-QGZVFWFLSA-N 0 3 381.521 0.885 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4Cl)C3)CCN2C1=O ZINC000580217776 1185120181 /nfs/dbraw/zinc/12/01/81/1185120181.db2.gz BPYBOHURKZXBHU-MBNYWOFBSA-N 0 3 391.859 0.399 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNCc1cnc(N2CCCC2)nc1 ZINC000580251975 1185131164 /nfs/dbraw/zinc/13/11/64/1185131164.db2.gz VIDHSHGAGKWDTR-INIZCTEOSA-N 0 3 382.534 0.827 20 0 GCADHN COCCN1CC[C@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)C1 ZINC000580262944 1185134074 /nfs/dbraw/zinc/13/40/74/1185134074.db2.gz WHVSYTSREJXMOJ-WMZOPIPTSA-N 0 3 391.516 0.854 20 0 GCADHN O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)N[C@@H]1CCN(C2CC2)C1 ZINC000580277488 1185137792 /nfs/dbraw/zinc/13/77/92/1185137792.db2.gz ABYMDTOCVXHVCO-GFCCVEGCSA-N 0 3 388.440 0.779 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000580277488 1185137798 /nfs/dbraw/zinc/13/77/98/1185137798.db2.gz ABYMDTOCVXHVCO-GFCCVEGCSA-N 0 3 388.440 0.779 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000580277488 1185137802 /nfs/dbraw/zinc/13/78/02/1185137802.db2.gz ABYMDTOCVXHVCO-GFCCVEGCSA-N 0 3 388.440 0.779 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@@H](C)S1 ZINC000580292544 1185141667 /nfs/dbraw/zinc/14/16/67/1185141667.db2.gz CZKBMFNMRRGLNJ-KFWWJZLASA-N 0 3 382.530 0.104 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000071004211 1185154032 /nfs/dbraw/zinc/15/40/32/1185154032.db2.gz LWWSVDFMEOVOAA-MRXNPFEDSA-N 0 3 388.516 0.763 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)c2ccccc2O1 ZINC000071007958 1185157189 /nfs/dbraw/zinc/15/71/89/1185157189.db2.gz FGFYXWRKGBUBLH-QGZVFWFLSA-N 0 3 389.452 0.802 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cc2)CC1 ZINC000048845328 1185161876 /nfs/dbraw/zinc/16/18/76/1185161876.db2.gz RIHGIWLYHORJKD-QGZVFWFLSA-N 0 3 387.484 0.429 20 0 GCADHN CCOC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CCc2ccccc21 ZINC000610427811 1185171175 /nfs/dbraw/zinc/17/11/75/1185171175.db2.gz DSDBEVOCYQWWAM-IIBYNOLFSA-N 0 3 387.480 0.918 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000580336548 1185176284 /nfs/dbraw/zinc/17/62/84/1185176284.db2.gz RJISZSYICHMERF-KRWDZBQOSA-N 0 3 390.528 0.586 20 0 GCADHN Cn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000275846465 1185178949 /nfs/dbraw/zinc/17/89/49/1185178949.db2.gz IKVILIDARWZYOK-GVDBMIGSSA-N 0 3 375.473 0.263 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c(F)c1 ZINC000275858119 1185188607 /nfs/dbraw/zinc/18/86/07/1185188607.db2.gz AKRNPVDECAGMDC-UHFFFAOYSA-N 0 3 394.447 0.647 20 0 GCADHN CN1CCCC[C@@H]1CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001670607119 1185205284 /nfs/dbraw/zinc/20/52/84/1185205284.db2.gz CYTJZNXRYCPJDD-CQSZACIVSA-N 0 3 397.501 0.708 20 0 GCADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@@H](Cn4ccnn4)C3)cc21 ZINC001167396389 1185224393 /nfs/dbraw/zinc/22/43/93/1185224393.db2.gz BXOJGCNEYDAHMJ-OAHLLOKOSA-N 0 3 399.455 0.436 20 0 GCADHN CC[C@]1(CO)CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000275888990 1185236722 /nfs/dbraw/zinc/23/67/22/1185236722.db2.gz RUDSELNTAMDFRQ-LJQANCHMSA-N 0 3 395.525 0.756 20 0 GCADHN Cc1cc(C)nc(-n2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c(C(C)C)n2)n1 ZINC000580466426 1185239617 /nfs/dbraw/zinc/23/96/17/1185239617.db2.gz AKCUUFSDLLAWHO-ZBFHGGJFSA-N 0 3 397.483 0.787 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000275899016 1185253349 /nfs/dbraw/zinc/25/33/49/1185253349.db2.gz FJUPIRYMBDVOOV-UHFFFAOYSA-N 0 3 392.500 0.746 20 0 GCADHN C[C@H](C(=O)NC(C)(C)CCN1CCN(C)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000548112742 1185277278 /nfs/dbraw/zinc/27/72/78/1185277278.db2.gz WVULMBJDUHFRCP-OAHLLOKOSA-N 0 3 393.532 0.772 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3(Cc4ccc(F)cc4)CC3)CCN2C1=O ZINC000580571964 1185278746 /nfs/dbraw/zinc/27/87/46/1185278746.db2.gz JXXSZIGKURKJQF-HOTGVXAUSA-N 0 3 388.443 0.035 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1CCNCC(=O)Nc1ccon1 ZINC001104309080 1185283174 /nfs/dbraw/zinc/28/31/74/1185283174.db2.gz GAJBJTQDEXOWHU-OEUWWYETSA-N 0 3 380.445 0.491 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H](C(CC)CC)N2CCOCC2)C1 ZINC000668432135 1185290488 /nfs/dbraw/zinc/29/04/88/1185290488.db2.gz MFRWLOMPVZVOSS-QZTJIDSGSA-N 0 3 382.549 0.840 20 0 GCADHN O=C(NCCN1CCN(c2ncccn2)CC1)NC[C@@H]1NCCc2ccccc21 ZINC000580631492 1185292893 /nfs/dbraw/zinc/29/28/93/1185292893.db2.gz AKHWKWMXBISESH-IBGZPJMESA-N 0 3 395.511 0.785 20 0 GCADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000510335316 1185294931 /nfs/dbraw/zinc/29/49/31/1185294931.db2.gz UKEUEQZDPFRKQR-HIFRSBDPSA-N 0 3 396.513 0.264 20 0 GCADHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000510335315 1185295111 /nfs/dbraw/zinc/29/51/11/1185295111.db2.gz UKEUEQZDPFRKQR-DZGCQCFKSA-N 0 3 396.513 0.264 20 0 GCADHN Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2)n1 ZINC000580658623 1185298762 /nfs/dbraw/zinc/29/87/62/1185298762.db2.gz CXENMQRPAABVNL-DLBZAZTESA-N 0 3 396.451 0.198 20 0 GCADHN C[C@H](NC(=O)CN1CCC(N2CCOC[C@@H]2C)CC1)C(=O)N1CCCCC1 ZINC000580656708 1185299619 /nfs/dbraw/zinc/29/96/19/1185299619.db2.gz DQRYYKATARHZNP-IRXDYDNUSA-N 0 3 380.533 0.689 20 0 GCADHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000430498561 1185304902 /nfs/dbraw/zinc/30/49/02/1185304902.db2.gz XFKYEDXSUAZNIM-IXDOHACOSA-N 0 3 378.517 0.836 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000580708801 1185309985 /nfs/dbraw/zinc/30/99/85/1185309985.db2.gz BGIUTIBPCYYTMV-TZMCWYRMSA-N 0 3 383.395 0.997 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000580708799 1185310081 /nfs/dbraw/zinc/31/00/81/1185310081.db2.gz BGIUTIBPCYYTMV-JSGCOSHPSA-N 0 3 383.395 0.997 20 0 GCADHN CN1CCN(C[C@H](O)CNCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000580709551 1185310440 /nfs/dbraw/zinc/31/04/40/1185310440.db2.gz FNPWCOIOMMMRGW-GOSISDBHSA-N 0 3 397.585 0.956 20 0 GCADHN O=C(NCCc1nnc2n1CCCCC2)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656289027 1185333403 /nfs/dbraw/zinc/33/34/03/1185333403.db2.gz JEIHGXWZQFPPLZ-HOTGVXAUSA-N 0 3 388.516 0.796 20 0 GCADHN O=C(NC1CCN(C(=O)C2CC2)CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656288639 1185337234 /nfs/dbraw/zinc/33/72/34/1185337234.db2.gz FJAWMCVXPRBYTD-IRXDYDNUSA-N 0 3 376.501 0.637 20 0 GCADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000580762431 1185348054 /nfs/dbraw/zinc/34/80/54/1185348054.db2.gz CBLQPDWPFHOZDW-AWEZNQCLSA-N 0 3 387.484 0.985 20 0 GCADHN CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656295816 1185353872 /nfs/dbraw/zinc/35/38/72/1185353872.db2.gz NBTODQZVLIKZFK-QZTJIDSGSA-N 0 3 386.496 0.894 20 0 GCADHN O=C(C[C@@H]1CNCCO1)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000430514507 1185364457 /nfs/dbraw/zinc/36/44/57/1185364457.db2.gz KNBSUWLZAZHASK-CRAIPNDOSA-N 0 3 389.452 0.312 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000580804313 1185367578 /nfs/dbraw/zinc/36/75/78/1185367578.db2.gz SBARFDMKSDYVCM-DOTOQJQBSA-N 0 3 378.521 0.235 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000580804313 1185367584 /nfs/dbraw/zinc/36/75/84/1185367584.db2.gz SBARFDMKSDYVCM-DOTOQJQBSA-N 0 3 378.521 0.235 20 0 GCADHN Cc1cc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc(S(=O)(=O)N(C)C)c1C ZINC000580849229 1185395028 /nfs/dbraw/zinc/39/50/28/1185395028.db2.gz DOIUKQYZHNBRHZ-LJQANCHMSA-N 0 3 395.525 0.740 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656314639 1185396545 /nfs/dbraw/zinc/39/65/45/1185396545.db2.gz ADDRAEUOHGRXHH-WNRNVDISSA-N 0 3 382.549 0.981 20 0 GCADHN COC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000580861974 1185397858 /nfs/dbraw/zinc/39/78/58/1185397858.db2.gz CLUKNZIUPVVDGB-HNNXBMFYSA-N 0 3 399.488 0.627 20 0 GCADHN CN(C)C(=O)C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCC1 ZINC000656315928 1185400278 /nfs/dbraw/zinc/40/02/78/1185400278.db2.gz NJQAGAQCKAVGGP-HOTGVXAUSA-N 0 3 378.517 0.884 20 0 GCADHN CN(C)c1nc(C(=O)N(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc(=O)[n-]1 ZINC000580894928 1185406372 /nfs/dbraw/zinc/40/63/72/1185406372.db2.gz RLUDGUNSIHUEJU-CQSZACIVSA-N 0 3 385.472 0.766 20 0 GCADHN Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC[C@@H]1COCCO1 ZINC001707887000 1185406780 /nfs/dbraw/zinc/40/67/80/1185406780.db2.gz LUDVZRUFWHNMFL-RBUKOAKNSA-N 0 3 392.548 0.997 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000275998663 1185408744 /nfs/dbraw/zinc/40/87/44/1185408744.db2.gz YNWJZYPVHWWNFW-KGLIPLIRSA-N 0 3 398.460 0.497 20 0 GCADHN O=C(NCc1nc2c(s1)COCC2)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000932997765 1185408751 /nfs/dbraw/zinc/40/87/51/1185408751.db2.gz FWUFTCCEQPTUCP-CYBMUJFWSA-N 0 3 378.498 0.919 20 0 GCADHN CN(C)[C@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)Cc1ccccc1 ZINC000471628645 1185414534 /nfs/dbraw/zinc/41/45/34/1185414534.db2.gz NDZPQUTUFUNLDJ-YSIASYRMSA-N 0 3 399.495 0.608 20 0 GCADHN O=C(NC1CCN(c2cccnn2)CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656324464 1185418786 /nfs/dbraw/zinc/41/87/86/1185418786.db2.gz USSJICANBOIDRT-SJORKVTESA-N 0 3 386.500 0.695 20 0 GCADHN C[C@@H](O)CN(C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000656325300 1185419232 /nfs/dbraw/zinc/41/92/32/1185419232.db2.gz OABFJJQFADRMEN-OAHLLOKOSA-N 0 3 389.496 0.631 20 0 GCADHN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650300461 1185420006 /nfs/dbraw/zinc/42/00/06/1185420006.db2.gz DQHXBAMFHVBWKM-FQEVSTJZSA-N 0 3 388.512 0.602 20 0 GCADHN C[C@@H](O)CN(C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000656331256 1185425640 /nfs/dbraw/zinc/42/56/40/1185425640.db2.gz MYTHHRYCDXXNEE-VQIMIIECSA-N 0 3 389.496 0.766 20 0 GCADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656336111 1185430565 /nfs/dbraw/zinc/43/05/65/1185430565.db2.gz VIVALVXFTYFDFK-HOTGVXAUSA-N 0 3 377.489 0.740 20 0 GCADHN Cn1ccnc1[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000656338787 1185435404 /nfs/dbraw/zinc/43/54/04/1185435404.db2.gz XSBMTYAHGUUDTA-NCOADZHNSA-N 0 3 389.500 0.890 20 0 GCADHN O=C(NCc1cc(=O)n2ccccc2n1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656342215 1185436415 /nfs/dbraw/zinc/43/64/15/1185436415.db2.gz VSENQIKSCWTXGI-JKSUJKDBSA-N 0 3 383.452 0.444 20 0 GCADHN COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000891350759 1185445049 /nfs/dbraw/zinc/44/50/49/1185445049.db2.gz PJPMHLPUEHXDHK-HOTGVXAUSA-N 0 3 382.505 0.471 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N(CCO)CCN2CCOCC2)CN1Cc1ccccc1 ZINC000123351468 1185445223 /nfs/dbraw/zinc/44/52/23/1185445223.db2.gz CHWKSOYWQBPZDR-AZUAARDMSA-N 0 3 390.528 0.986 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000656354066 1185450505 /nfs/dbraw/zinc/45/05/05/1185450505.db2.gz DYQWPWMPXZKBHF-DLBZAZTESA-N 0 3 379.501 0.775 20 0 GCADHN COCCc1noc(CN(C)C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000656355075 1185450563 /nfs/dbraw/zinc/45/05/63/1185450563.db2.gz IWIPXLAWDNSWKI-ZIAGYGMSSA-N 0 3 379.461 0.350 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC001687235575 1185450961 /nfs/dbraw/zinc/45/09/61/1185450961.db2.gz IWJBUGOGNWLGBN-HEHGZKQESA-N 0 3 394.472 0.663 20 0 GCADHN CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656354838 1185452064 /nfs/dbraw/zinc/45/20/64/1185452064.db2.gz DUJPJJIRAUCCIG-JKSUJKDBSA-N 0 3 378.517 0.836 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000656356156 1185452179 /nfs/dbraw/zinc/45/21/79/1185452179.db2.gz RFRWQOHPCRDQHZ-KURKYZTESA-N 0 3 378.517 0.443 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCN1CC(C)(C)O ZINC000656355727 1185455007 /nfs/dbraw/zinc/45/50/07/1185455007.db2.gz NLAXBGAVWUCLSV-BRWVUGGUSA-N 0 3 380.533 0.423 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000656356828 1185455817 /nfs/dbraw/zinc/45/58/17/1185455817.db2.gz XHHVVNUNGLZBEZ-IAGOWNOFSA-N 0 3 376.501 0.590 20 0 GCADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356739 1185455955 /nfs/dbraw/zinc/45/59/55/1185455955.db2.gz WCCLKBMDLWCCJM-FGTMMUONSA-N 0 3 399.532 0.380 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000656355624 1185456005 /nfs/dbraw/zinc/45/60/05/1185456005.db2.gz MCSRHLGMRAKKIH-HOTGVXAUSA-N 0 3 390.463 0.397 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356458 1185457355 /nfs/dbraw/zinc/45/73/55/1185457355.db2.gz DMTIKFPNOMEVQD-QRQLOZEOSA-N 0 3 392.544 0.831 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCOC2(CCOCC2)CC1 ZINC000656356361 1185458552 /nfs/dbraw/zinc/45/85/52/1185458552.db2.gz SNROCSFUARYYJQ-IRXDYDNUSA-N 0 3 379.501 0.918 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)C[C@H]2CO)cn1 ZINC000656358712 1185459822 /nfs/dbraw/zinc/45/98/22/1185459822.db2.gz UBYNSKMYFMXJAU-WNRNVDISSA-N 0 3 389.500 0.088 20 0 GCADHN Cc1nccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656359251 1185460812 /nfs/dbraw/zinc/46/08/12/1185460812.db2.gz XGUBRDLHXCMGEL-IRXDYDNUSA-N 0 3 386.500 0.567 20 0 GCADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@H]13)C[C@@H](C)O2 ZINC000656358975 1185461484 /nfs/dbraw/zinc/46/14/84/1185461484.db2.gz WBWZPERXFMQQOA-FLXNRXMOSA-N 0 3 379.501 0.914 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)CC2)no1 ZINC000656361133 1185464710 /nfs/dbraw/zinc/46/47/10/1185464710.db2.gz YREVLJCGXCMGKQ-MSOLQXFVSA-N 0 3 389.500 0.760 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)[C@@H]2C1 ZINC000581007519 1185467809 /nfs/dbraw/zinc/46/78/09/1185467809.db2.gz MFVLKSZJECQOSP-IYOUNJFTSA-N 0 3 378.473 0.155 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000933078113 1185477027 /nfs/dbraw/zinc/47/70/27/1185477027.db2.gz IZFRCQXHCZCUHO-GOSISDBHSA-N 0 3 380.533 0.357 20 0 GCADHN C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc2cncn2c1 ZINC000656367258 1185478158 /nfs/dbraw/zinc/47/81/58/1185478158.db2.gz MPYYSUKSDAHBHZ-LPHOPBHVSA-N 0 3 386.500 0.881 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000581066908 1185482616 /nfs/dbraw/zinc/48/26/16/1185482616.db2.gz ZWGJOSLTOOLDPS-BBWFWOEESA-N 0 3 385.530 0.333 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000581066910 1185482736 /nfs/dbraw/zinc/48/27/36/1185482736.db2.gz ZWGJOSLTOOLDPS-IXDOHACOSA-N 0 3 385.530 0.333 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c2ccccc2O1 ZINC000276019065 1185483785 /nfs/dbraw/zinc/48/37/85/1185483785.db2.gz HRTCYPKWWOKZBO-SUMWQHHRSA-N 0 3 386.452 0.293 20 0 GCADHN CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000581090749 1185493919 /nfs/dbraw/zinc/49/39/19/1185493919.db2.gz USCRDVDRMPRGAG-CVEARBPZSA-N 0 3 376.505 1.062 20 0 GCADHN CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000581090749 1185493924 /nfs/dbraw/zinc/49/39/24/1185493924.db2.gz USCRDVDRMPRGAG-CVEARBPZSA-N 0 3 376.505 1.062 20 0 GCADHN CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000581090753 1185494030 /nfs/dbraw/zinc/49/40/30/1185494030.db2.gz USCRDVDRMPRGAG-JKSUJKDBSA-N 0 3 376.505 1.062 20 0 GCADHN CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000581090753 1185494033 /nfs/dbraw/zinc/49/40/33/1185494033.db2.gz USCRDVDRMPRGAG-JKSUJKDBSA-N 0 3 376.505 1.062 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)c(OC)c1 ZINC000276028732 1185499980 /nfs/dbraw/zinc/49/99/80/1185499980.db2.gz LMKFYXDHQFSOLA-UHFFFAOYSA-N 0 3 386.470 0.871 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000581139812 1185510941 /nfs/dbraw/zinc/51/09/41/1185510941.db2.gz HPKXEVWCYFJDCX-OAHLLOKOSA-N 0 3 385.468 0.547 20 0 GCADHN CN(C)C1(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CCC1 ZINC000891361518 1185524519 /nfs/dbraw/zinc/52/45/19/1185524519.db2.gz SZRDMQRVLQCKOA-CYBMUJFWSA-N 0 3 380.489 0.807 20 0 GCADHN CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000276055594 1185534845 /nfs/dbraw/zinc/53/48/45/1185534845.db2.gz ULGKCEUQIKDBQZ-UHFFFAOYSA-N 0 3 389.500 0.988 20 0 GCADHN CCN1CCN(CCCNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1 ZINC000066916351 1185555104 /nfs/dbraw/zinc/55/51/04/1185555104.db2.gz MXDKBTMKZIPSJW-UHFFFAOYSA-N 0 3 393.513 0.495 20 0 GCADHN CSc1ccc([C@@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000581262538 1185562062 /nfs/dbraw/zinc/56/20/62/1185562062.db2.gz XRAVPOHYTAHSGK-OSAQELSMSA-N 0 3 376.482 0.356 20 0 GCADHN CC(C)CN1C[C@@H]2CN(C(=O)NCCCCN3CCN(C)CC3)CCN2C1=O ZINC000581286780 1185570691 /nfs/dbraw/zinc/57/06/91/1185570691.db2.gz IMCFUMUOMXPDHG-SFHVURJKSA-N 0 3 394.564 0.801 20 0 GCADHN CC(C)n1cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000581284853 1185571354 /nfs/dbraw/zinc/57/13/54/1185571354.db2.gz AZTQZCIJDIYYPM-HNNXBMFYSA-N 0 3 378.477 0.461 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000276112614 1185578501 /nfs/dbraw/zinc/57/85/01/1185578501.db2.gz RNNCSWCSRROFLV-KRWDZBQOSA-N 0 3 392.500 0.147 20 0 GCADHN O=c1cc(CN2CCN(C[C@H]3CNc4ccnn4C3)CC2)nc2sccn21 ZINC000684193864 1185588219 /nfs/dbraw/zinc/58/82/19/1185588219.db2.gz AIMZYAXBEOJDFL-CQSZACIVSA-N 0 3 385.497 0.812 20 0 GCADHN CCn1ncc(CNCC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104347132 1185620945 /nfs/dbraw/zinc/62/09/45/1185620945.db2.gz QNSQYVDPFHTHCD-YFHUEUNASA-N 0 3 378.521 0.591 20 0 GCADHN N[C@@H]1C[C@@H]2CN(c3cnn(-c4ccc(F)cc4F)c(=O)c3Cl)CCN2C1=O ZINC000581380667 1185627764 /nfs/dbraw/zinc/62/77/64/1185627764.db2.gz BQLXNYVTIMOHPA-ZYHUDNBSSA-N 0 3 395.797 0.912 20 0 GCADHN N[C@H]1C[C@H]2CN(c3cnn(-c4ccc(F)cc4F)c(=O)c3Cl)CCN2C1=O ZINC000581380665 1185628039 /nfs/dbraw/zinc/62/80/39/1185628039.db2.gz BQLXNYVTIMOHPA-JQWIXIFHSA-N 0 3 395.797 0.912 20 0 GCADHN O=C(NCc1nnc(C2CCOCC2)[nH]1)NC[C@@H]1CCN1C1CCOCC1 ZINC001687278390 1185648940 /nfs/dbraw/zinc/64/89/40/1185648940.db2.gz HHHBHDACZLLVHR-HNNXBMFYSA-N 0 3 378.477 0.751 20 0 GCADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000581419121 1185668441 /nfs/dbraw/zinc/66/84/41/1185668441.db2.gz GDLCDVCQLXTAPB-KXBFYZLASA-N 0 3 385.512 0.868 20 0 GCADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000581419120 1185668731 /nfs/dbraw/zinc/66/87/31/1185668731.db2.gz GDLCDVCQLXTAPB-HNAYVOBHSA-N 0 3 385.512 0.868 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccc(Cl)c1Cl ZINC000581440470 1185691522 /nfs/dbraw/zinc/69/15/22/1185691522.db2.gz HOZMDJSYBXHNCO-OUJBWJOFSA-N 0 3 399.278 0.941 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000072067274 1185699230 /nfs/dbraw/zinc/69/92/30/1185699230.db2.gz PZTZCJCUKPURAD-MRXNPFEDSA-N 0 3 382.530 0.822 20 0 GCADHN COCCOCCOCCN(C)C[C@H](O)COc1ccc(C(=O)OC)cc1 ZINC000276236124 1185704420 /nfs/dbraw/zinc/70/44/20/1185704420.db2.gz LKGNKJOMYAHETP-KRWDZBQOSA-N 0 3 385.457 0.824 20 0 GCADHN COCCOCCOCCN(C)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000276301892 1185724614 /nfs/dbraw/zinc/72/46/14/1185724614.db2.gz VYSLOLADIQFPGQ-SFHVURJKSA-N 0 3 384.473 0.996 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)ccc2oc1=O ZINC001125510002 1185733674 /nfs/dbraw/zinc/73/36/74/1185733674.db2.gz LPWAKLBFSGMNOD-CJNGLKHVSA-N 0 3 390.440 0.908 20 0 GCADHN COCCN1C(=O)C[C@@H](CNCN2CCC(=O)CC2)[C@@H]1c1cnn(C)c1C ZINC000276322718 1185735666 /nfs/dbraw/zinc/73/56/66/1185735666.db2.gz WVYHZKYEFBGIHX-HNAYVOBHSA-N 0 3 377.489 0.477 20 0 GCADHN CO[C@@]1(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CCS(=O)(=O)C1 ZINC001125510530 1185736143 /nfs/dbraw/zinc/73/61/43/1185736143.db2.gz VJPODGUAMZOIJL-KRWDZBQOSA-N 0 3 397.453 0.298 20 0 GCADHN CC(C)NC(=S)N1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001279108649 1185773280 /nfs/dbraw/zinc/77/32/80/1185773280.db2.gz UVOSIVDYKUZIAZ-IAGOWNOFSA-N 0 3 381.590 0.972 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)CN[C@@H]3COC[C@H]3OC)CC2)cc1 ZINC000581605939 1185784122 /nfs/dbraw/zinc/78/41/22/1185784122.db2.gz ICUCLTZMPPPFPT-RTBURBONSA-N 0 3 377.485 0.733 20 0 GCADHN C[C@@H](CCNC(=O)N(CCN(C)C)CC(=O)N(C)C)NC(=O)OC(C)(C)C ZINC001687344205 1185793405 /nfs/dbraw/zinc/79/34/05/1185793405.db2.gz WCQVSGLGNPDGJT-AWEZNQCLSA-N 0 3 387.525 0.951 20 0 GCADHN CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(=O)N1CCNCC1 ZINC000430622038 1185797809 /nfs/dbraw/zinc/79/78/09/1185797809.db2.gz FCVNLUGSPPSCHU-UHFFFAOYSA-N 0 3 391.491 0.228 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000276422447 1185810290 /nfs/dbraw/zinc/81/02/90/1185810290.db2.gz MPWPYZQRNCUJDH-UHFFFAOYSA-N 0 3 391.428 0.719 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NCc1cc(F)cc(F)c1 ZINC000430626618 1185811061 /nfs/dbraw/zinc/81/10/61/1185811061.db2.gz RTBPEAIKRLMXFM-OAHLLOKOSA-N 0 3 380.439 0.725 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000276434612 1185816398 /nfs/dbraw/zinc/81/63/98/1185816398.db2.gz NYQLTBZORSKNRS-CYBMUJFWSA-N 0 3 379.461 0.916 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000276450102 1185826609 /nfs/dbraw/zinc/82/66/09/1185826609.db2.gz PNOVAFFWTLGKBR-CYBMUJFWSA-N 0 3 379.461 0.772 20 0 GCADHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430641129 1185852343 /nfs/dbraw/zinc/85/23/43/1185852343.db2.gz SJECBNUCJOZRJN-CVEARBPZSA-N 0 3 376.505 0.508 20 0 GCADHN O=C(CNC1([C@@H]2CCCCO2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000933377116 1185854758 /nfs/dbraw/zinc/85/47/58/1185854758.db2.gz DVACMGMMUOLRJU-CVEARBPZSA-N 0 3 385.530 0.009 20 0 GCADHN O=C([C@@H]1CCCN(CCCS(=O)(=O)c2ccccc2)C1)N1CCNCC1 ZINC000430644834 1185857857 /nfs/dbraw/zinc/85/78/57/1185857857.db2.gz ZIFDNYANNDCWCU-QGZVFWFLSA-N 0 3 379.526 0.994 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000078780597 1185862284 /nfs/dbraw/zinc/86/22/84/1185862284.db2.gz LEEPYVBGOKFDJH-UHFFFAOYSA-N 0 3 394.541 0.837 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(=O)n(CCN(C)C)c2)s1 ZINC000581726167 1185865825 /nfs/dbraw/zinc/86/58/25/1185865825.db2.gz BZICFEHQTFAWFN-UHFFFAOYSA-N 0 3 398.510 0.908 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@](C)(O)CN2c3ccccc3C(C)(C)C2=O)C[C@@H]1O ZINC000581735118 1185872360 /nfs/dbraw/zinc/87/23/60/1185872360.db2.gz HSDONEPNUDFLPA-FTRWYGJKSA-N 0 3 375.469 0.195 20 0 GCADHN O=C(CN[C@]12C[C@H]1COC21CCC1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000933393829 1185872869 /nfs/dbraw/zinc/87/28/69/1185872869.db2.gz KZEXJKHRZNUHME-CYJAXWMASA-N 0 3 398.525 0.482 20 0 GCADHN CC(=O)Nc1cccc(NC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000430653343 1185877516 /nfs/dbraw/zinc/87/75/16/1185877516.db2.gz YWVNBRNHRAOVLO-MRXNPFEDSA-N 0 3 387.484 0.727 20 0 GCADHN CC(C)N1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000933413587 1185882425 /nfs/dbraw/zinc/88/24/25/1185882425.db2.gz YPFPUIAVBHJGSW-INIZCTEOSA-N 0 3 383.518 0.562 20 0 GCADHN CN(CCCNC(=O)CN[C@](C)(CO)Cc1ccccc1F)S(C)(=O)=O ZINC000933436429 1185891798 /nfs/dbraw/zinc/89/17/98/1185891798.db2.gz YPBPUXIWZUOXKP-KRWDZBQOSA-N 0 3 389.493 0.107 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccnn2-c2ccccc2)CC1(C)C ZINC000282064814 1185895732 /nfs/dbraw/zinc/89/57/32/1185895732.db2.gz QMMLSKISDLWFJR-UHFFFAOYSA-N 0 3 384.484 0.953 20 0 GCADHN COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000276562338 1185901667 /nfs/dbraw/zinc/90/16/67/1185901667.db2.gz HLMGQEVZFZPXJO-OALUTQOASA-N 0 3 389.496 0.638 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@H](CO)CC2)CC1 ZINC000292996676 1185903071 /nfs/dbraw/zinc/90/30/71/1185903071.db2.gz CPJNDBYAPIVNHU-HNNXBMFYSA-N 0 3 387.488 0.106 20 0 GCADHN CC1(C)CCCC[C@@H]1NC(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000581842564 1185911135 /nfs/dbraw/zinc/91/11/35/1185911135.db2.gz QNXVWXRQJKQJCK-KRWDZBQOSA-N 0 3 382.549 0.578 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ncc(C)s2)CC1 ZINC000581843812 1185913315 /nfs/dbraw/zinc/91/33/15/1185913315.db2.gz IJZLIQQMRKOICH-UHFFFAOYSA-N 0 3 381.502 0.080 20 0 GCADHN NS(=O)(=O)C1(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CC1 ZINC000581888776 1185947886 /nfs/dbraw/zinc/94/78/86/1185947886.db2.gz TYFSRGYSGLGZOQ-UHFFFAOYSA-N 0 3 385.461 0.606 20 0 GCADHN CCOc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1OCC(=O)OC ZINC000581895529 1185954107 /nfs/dbraw/zinc/95/41/07/1185954107.db2.gz HZMQKFONYNGEEW-UONOGXRCSA-N 0 3 391.424 0.021 20 0 GCADHN CCC1CCN(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000657011430 1185967884 /nfs/dbraw/zinc/96/78/84/1185967884.db2.gz CRVFSYPYSULOFL-UHFFFAOYSA-N 0 3 388.578 0.739 20 0 GCADHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCCNS(=O)(=O)c1cnn(C)c1 ZINC000548337016 1185981587 /nfs/dbraw/zinc/98/15/87/1185981587.db2.gz ZIKCYGDIWXSARB-HOCLYGCPSA-N 0 3 382.490 0.169 20 0 GCADHN C[C@@H](O)CN(C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H](C)CO ZINC000276717161 1185983961 /nfs/dbraw/zinc/98/39/61/1185983961.db2.gz HNNHVYYLWKIANE-HZPDHXFCSA-N 0 3 379.501 0.917 20 0 GCADHN CN1CCN(c2ccc(CNC(=O)N3CCN(C)CCN(C)CC3)cn2)CC1 ZINC000891714863 1185993638 /nfs/dbraw/zinc/99/36/38/1185993638.db2.gz YDNKFJBRJCCHRP-UHFFFAOYSA-N 0 3 389.548 0.222 20 0 GCADHN CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000559299764 1186001447 /nfs/dbraw/zinc/00/14/47/1186001447.db2.gz NDEASIDPPVKBDF-UHFFFAOYSA-N 0 3 386.496 0.802 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)cn1 ZINC000668514664 1186003304 /nfs/dbraw/zinc/00/33/04/1186003304.db2.gz FRJWDYAXENECPM-INIZCTEOSA-N 0 3 392.500 0.960 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c2ccccc12 ZINC000581955362 1186005250 /nfs/dbraw/zinc/00/52/50/1186005250.db2.gz DKWLIJZCXWTBQS-MAUKXSAKSA-N 0 3 380.448 0.535 20 0 GCADHN CCS(=O)(=O)N1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000891756410 1186012023 /nfs/dbraw/zinc/01/20/23/1186012023.db2.gz OGJJGVYWHKCRJZ-HOTGVXAUSA-N 0 3 388.534 0.041 20 0 GCADHN CCS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000891756411 1186012358 /nfs/dbraw/zinc/01/23/58/1186012358.db2.gz OGJJGVYWHKCRJZ-HZPDHXFCSA-N 0 3 388.534 0.041 20 0 GCADHN CN(C(=O)NCCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCN(C)C1 ZINC000891762004 1186014854 /nfs/dbraw/zinc/01/48/54/1186014854.db2.gz KRDCGFJWUYQQRK-QGZVFWFLSA-N 0 3 375.521 0.724 20 0 GCADHN CS(=O)(=O)c1cccc(Oc2ncccc2CNC(=O)COC2CNC2)c1 ZINC000430788521 1186030154 /nfs/dbraw/zinc/03/01/54/1186030154.db2.gz CDXIYTMIZPTFHL-UHFFFAOYSA-N 0 3 391.449 0.882 20 0 GCADHN COCCNCC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000430859008 1186042411 /nfs/dbraw/zinc/04/24/11/1186042411.db2.gz TVHYTHMMTACMDL-UHFFFAOYSA-N 0 3 381.473 0.593 20 0 GCADHN O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000328956943 1186053311 /nfs/dbraw/zinc/05/33/11/1186053311.db2.gz NWAGCZKTDMVBEC-UHFFFAOYSA-N 0 3 398.463 0.439 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2c(c1)COC2 ZINC000510683133 1186054343 /nfs/dbraw/zinc/05/43/43/1186054343.db2.gz PUVIQZNTYTVOPL-KRWDZBQOSA-N 0 3 388.468 0.714 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 ZINC000276795083 1186065775 /nfs/dbraw/zinc/06/57/75/1186065775.db2.gz BYJGYFSVDRSUDH-UHFFFAOYSA-N 0 3 395.412 0.225 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C[C@H]1CO ZINC000276798910 1186070511 /nfs/dbraw/zinc/07/05/11/1186070511.db2.gz LOMJAEKJFQTZCM-OLZOCXBDSA-N 0 3 390.440 0.181 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(S(=O)(=O)NC)cn2)CC1 ZINC000276802770 1186073614 /nfs/dbraw/zinc/07/36/14/1186073614.db2.gz MCIBIWXBNMRKAO-AWEZNQCLSA-N 0 3 398.533 0.385 20 0 GCADHN C[S@@](=O)c1ccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000610647348 1186093201 /nfs/dbraw/zinc/09/32/01/1186093201.db2.gz YGOUHIMIFBMNOE-HHHXNRCGSA-N 0 3 392.525 0.874 20 0 GCADHN CO[C@@H](C)c1noc(CN2CCCN(C(=O)CNC[C@H]3CCCO3)CC2)n1 ZINC000431001813 1186097672 /nfs/dbraw/zinc/09/76/72/1186097672.db2.gz LHUPNASMKLPDSV-LSDHHAIUSA-N 0 3 381.477 0.580 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)CC1=O ZINC000156553143 1186102814 /nfs/dbraw/zinc/10/28/14/1186102814.db2.gz LMLXQPXXURMQOY-GDBMZVCRSA-N 0 3 375.473 0.394 20 0 GCADHN COc1ccccc1CCNC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000510766427 1186104873 /nfs/dbraw/zinc/10/48/73/1186104873.db2.gz PDZQPOPAGSRDLQ-JKSUJKDBSA-N 0 3 383.514 0.804 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC2)n1 ZINC000933846912 1186109211 /nfs/dbraw/zinc/10/92/11/1186109211.db2.gz LFMOZSDNLVAIPM-UHFFFAOYSA-N 0 3 394.545 0.597 20 0 GCADHN C[C@H](N[C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NC(=O)NC1CCCCC1 ZINC000510795734 1186112681 /nfs/dbraw/zinc/11/26/81/1186112681.db2.gz KUQAXZBVQPIJGN-QEJZJMRPSA-N 0 3 388.534 0.983 20 0 GCADHN COC(=O)C1(NC(=O)CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)CCCCC1 ZINC000510793659 1186112770 /nfs/dbraw/zinc/11/27/70/1186112770.db2.gz CXLMKBGBSNAPHS-UONOGXRCSA-N 0 3 389.518 0.429 20 0 GCADHN COCCN1CC[C@H](NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)C1 ZINC000471918797 1186115187 /nfs/dbraw/zinc/11/51/87/1186115187.db2.gz NHNDYKNTGAIGIO-ULQDDVLXSA-N 0 3 382.484 0.352 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891887457 1186134048 /nfs/dbraw/zinc/13/40/48/1186134048.db2.gz KUFDTQVCRGSADT-BBWFWOEESA-N 0 3 380.514 0.718 20 0 GCADHN CS(=O)(=O)C[C@H]1CN(C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC000891893513 1186139030 /nfs/dbraw/zinc/13/90/30/1186139030.db2.gz WLOZDOSOKIOJKR-GOSISDBHSA-N 0 3 395.525 0.890 20 0 GCADHN COC[C@H](NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)C1CC1 ZINC000510866801 1186140992 /nfs/dbraw/zinc/14/09/92/1186140992.db2.gz MRJDFUQHEUDBGZ-RKVPGOIHSA-N 0 3 381.517 0.875 20 0 GCADHN CCCN(C)CC(=O)N1CC[C@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H]1C ZINC001719632559 1186150089 /nfs/dbraw/zinc/15/00/89/1186150089.db2.gz AQAZTMTWNBXHNH-WCVJEAGWSA-N 0 3 382.505 0.247 20 0 GCADHN CC(=O)N1CCN(C(=O)CNCCN(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001691327495 1186173212 /nfs/dbraw/zinc/17/32/12/1186173212.db2.gz SWSPZNICSSXBBZ-FGTMMUONSA-N 0 3 376.501 0.327 20 0 GCADHN O=C(CN1C[C@@H]2COC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000634783122 1186191176 /nfs/dbraw/zinc/19/11/76/1186191176.db2.gz OFJXAUXEVCDQNH-GASCZTMLSA-N 0 3 397.472 0.237 20 0 GCADHN C[C@@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000535727375 1186205259 /nfs/dbraw/zinc/20/52/59/1186205259.db2.gz IQKURBWYMCXDCP-CVEARBPZSA-N 0 3 386.562 0.479 20 0 GCADHN C[C@@H]1CN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC[C@H]1N1CCN(C)CC1 ZINC000535731618 1186207701 /nfs/dbraw/zinc/20/77/01/1186207701.db2.gz AOHCHFVFIDFKSL-NVXWUHKLSA-N 0 3 390.532 0.991 20 0 GCADHN COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN(C)CCN(C)CC1 ZINC000933999304 1186212906 /nfs/dbraw/zinc/21/29/06/1186212906.db2.gz YFYALQNKTWAINP-UHFFFAOYSA-N 0 3 391.516 0.083 20 0 GCADHN CCc1cnc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000277026881 1186230142 /nfs/dbraw/zinc/23/01/42/1186230142.db2.gz MGBYCNLTDRARMY-ZDUSSCGKSA-N 0 3 379.486 0.409 20 0 GCADHN COC(=O)COc1c(C)cc(CNCCNS(=O)(=O)NC(C)C)cc1C ZINC000277059354 1186233638 /nfs/dbraw/zinc/23/36/38/1186233638.db2.gz RDPRRUVCCQVLHV-UHFFFAOYSA-N 0 3 387.502 0.777 20 0 GCADHN O=C(CN1CCCS1(=O)=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277083477 1186236926 /nfs/dbraw/zinc/23/69/26/1186236926.db2.gz UQQIPCRGVUQRPO-QGZVFWFLSA-N 0 3 381.498 0.429 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(CCO)CCO)cc(N2CCN(C(C)C)CC2)c1 ZINC000277093014 1186238632 /nfs/dbraw/zinc/23/86/32/1186238632.db2.gz ZGTYVCXVVITJLZ-UHFFFAOYSA-N 0 3 392.500 0.277 20 0 GCADHN CC(C)c1cnc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000277090426 1186240593 /nfs/dbraw/zinc/24/05/93/1186240593.db2.gz UCINMYNZGCPVJV-ZDUSSCGKSA-N 0 3 393.513 0.970 20 0 GCADHN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)C1 ZINC000182962359 1186245896 /nfs/dbraw/zinc/24/58/96/1186245896.db2.gz FQTAESLXMDJSNL-GOSISDBHSA-N 0 3 380.533 0.535 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000891965379 1186250594 /nfs/dbraw/zinc/25/05/94/1186250594.db2.gz PRMSNZSDJYHTEV-IRXDYDNUSA-N 0 3 381.498 0.831 20 0 GCADHN CC[C@H]1CN(Cc2nnc3n2c2ccccc2c(=O)n3C)CCN1C[C@H](C)O ZINC000247769407 1186271522 /nfs/dbraw/zinc/27/15/22/1186271522.db2.gz ORUCXDJTKDHHRG-GJZGRUSLSA-N 0 3 384.484 0.858 20 0 GCADHN Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001707915063 1186272114 /nfs/dbraw/zinc/27/21/14/1186272114.db2.gz FWKBOBLFUUZJLN-AEFFLSMTSA-N 0 3 378.521 0.466 20 0 GCADHN Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001707915140 1186272341 /nfs/dbraw/zinc/27/23/41/1186272341.db2.gz HXQOSLREMHIMSV-UHFFFAOYSA-N 0 3 399.499 0.677 20 0 GCADHN CC(C)Cn1c(N)c(C(=O)CN[C@@H](CCO)C2CCCCC2)c(=O)[nH]c1=O ZINC000181507214 1186274977 /nfs/dbraw/zinc/27/49/77/1186274977.db2.gz FAJYNUJUGDPWCO-AWEZNQCLSA-N 0 3 380.489 0.878 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000097543410 1186279249 /nfs/dbraw/zinc/27/92/49/1186279249.db2.gz YXTNDDXIVSSBCM-INIZCTEOSA-N 0 3 396.438 0.754 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)C1 ZINC000611021357 1186282732 /nfs/dbraw/zinc/28/27/32/1186282732.db2.gz DAPIKDRSKPODMZ-CVEARBPZSA-N 0 3 391.534 0.189 20 0 GCADHN NC1(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)Cc2ccccc2C1 ZINC000151243123 1186285123 /nfs/dbraw/zinc/28/51/23/1186285123.db2.gz UNALAODBKWQJBA-UHFFFAOYSA-N 0 3 392.459 0.371 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000156617239 1186294423 /nfs/dbraw/zinc/29/44/23/1186294423.db2.gz HQSMJOLQMNMCEZ-YOEHRIQHSA-N 0 3 380.514 0.539 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000472016103 1186303892 /nfs/dbraw/zinc/30/38/92/1186303892.db2.gz CHHCVBLSOHIPHH-CQSZACIVSA-N 0 3 376.423 0.637 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000047882649 1186309532 /nfs/dbraw/zinc/30/95/32/1186309532.db2.gz ULHALMDZQMUDPN-MRXNPFEDSA-N 0 3 377.489 0.926 20 0 GCADHN CSc1nnnn1-c1cccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000531044443 1186318863 /nfs/dbraw/zinc/31/88/63/1186318863.db2.gz QAJYHRQIDRPUCA-LBPRGKRZSA-N 0 3 389.485 0.781 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CCO)CC1 ZINC000668584547 1186336612 /nfs/dbraw/zinc/33/66/12/1186336612.db2.gz YZYXNSIHYWUTRL-SQNIBIBYSA-N 0 3 382.549 0.386 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472099840 1186350145 /nfs/dbraw/zinc/35/01/45/1186350145.db2.gz KYISMPQNCFMZMM-IAGOWNOFSA-N 0 3 388.578 0.723 20 0 GCADHN COc1ccc(Cn2ccc(NC(=O)C(=O)NCCN3CC[C@@H](C)C3)n2)cc1 ZINC000548631362 1186358920 /nfs/dbraw/zinc/35/89/20/1186358920.db2.gz UIZNNOXPFIQUTB-OAHLLOKOSA-N 0 3 385.468 1.337 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000277391788 1186360408 /nfs/dbraw/zinc/36/04/08/1186360408.db2.gz ANZJRSVYEYUOAJ-ROUUACIJSA-N 0 3 390.484 0.028 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000375656907 1186361120 /nfs/dbraw/zinc/36/11/20/1186361120.db2.gz SSJQRDPHGFHFBE-DAWZGUTISA-N 0 3 390.528 0.836 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000277400280 1186365445 /nfs/dbraw/zinc/36/54/45/1186365445.db2.gz BJDKYUVWLXCCKU-CQSZACIVSA-N 0 3 384.502 0.686 20 0 GCADHN O=C(NCCN1C(=O)CNC1=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277406929 1186367304 /nfs/dbraw/zinc/36/73/04/1186367304.db2.gz FJPFKASEPGJDEA-MRXNPFEDSA-N 0 3 389.456 0.129 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000472130144 1186367772 /nfs/dbraw/zinc/36/77/72/1186367772.db2.gz KHXWAEMTFHNHNZ-UHFFFAOYSA-N 0 3 383.518 0.872 20 0 GCADHN NC(=O)N[C@@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000277421083 1186375387 /nfs/dbraw/zinc/37/53/87/1186375387.db2.gz HKBVMRZBKCDYGG-SJORKVTESA-N 0 3 375.473 0.730 20 0 GCADHN C[C@H]1CN(C(=O)Nc2cc(OC(F)F)n(C)n2)CC[C@H]1N1CCN(C)CC1 ZINC000548655647 1186382859 /nfs/dbraw/zinc/38/28/59/1186382859.db2.gz UPYBKTQGZWUQBH-QWHCGFSZSA-N 0 3 386.447 1.511 20 0 GCADHN Cn1c2nnc(CN3CC[C@H]4[C@H]3CCCN4CCO)n2c2ccccc2c1=O ZINC000934256066 1186383510 /nfs/dbraw/zinc/38/35/10/1186383510.db2.gz ZXOMOMBTTXQVOY-SJORKVTESA-N 0 3 382.468 0.612 20 0 GCADHN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000934262667 1186389951 /nfs/dbraw/zinc/38/99/51/1186389951.db2.gz LNOWALBAIIUFMZ-DLBZAZTESA-N 0 3 399.488 0.699 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](NCc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000582067306 1186391861 /nfs/dbraw/zinc/39/18/61/1186391861.db2.gz NXCRBEPTBMBFGE-CQSZACIVSA-N 0 3 378.454 0.971 20 0 GCADHN Cc1c([C@H]2OCC[C@@H]2C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cnn1C ZINC000548663595 1186392866 /nfs/dbraw/zinc/39/28/66/1186392866.db2.gz SAISDCPCYJRWLW-LPHOPBHVSA-N 0 3 389.500 0.573 20 0 GCADHN CCOC(=O)Cc1csc(NC(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)n1 ZINC000934264140 1186393218 /nfs/dbraw/zinc/39/32/18/1186393218.db2.gz GCIWCLWDSRFINW-GJZGRUSLSA-N 0 3 396.513 0.718 20 0 GCADHN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934265846 1186393529 /nfs/dbraw/zinc/39/35/29/1186393529.db2.gz XESDHGRTZNPNQX-BDXSIMOUSA-N 0 3 389.496 0.862 20 0 GCADHN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934265847 1186394076 /nfs/dbraw/zinc/39/40/76/1186394076.db2.gz XESDHGRTZNPNQX-BRSBDYLESA-N 0 3 389.496 0.862 20 0 GCADHN O=C(CN1CC[C@@H]2[C@@H]1CCCN2CCO)N1CCN(Cc2ccco2)CC1 ZINC000934267204 1186396241 /nfs/dbraw/zinc/39/62/41/1186396241.db2.gz IZBRCLFURXALNF-RBUKOAKNSA-N 0 3 376.501 0.455 20 0 GCADHN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582074077 1186397482 /nfs/dbraw/zinc/39/74/82/1186397482.db2.gz ZMXKHWAUHLESIT-OBJOEFQTSA-N 0 3 394.497 0.804 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000582081070 1186401429 /nfs/dbraw/zinc/40/14/29/1186401429.db2.gz JHQWOUIPUMGBLN-HUUCEWRRSA-N 0 3 382.505 0.071 20 0 GCADHN CCN1CCN(C(=O)NCCCCN2CCN(C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000548672142 1186407169 /nfs/dbraw/zinc/40/71/69/1186407169.db2.gz USDLVFZTDPCSLY-QGZVFWFLSA-N 0 3 377.537 0.826 20 0 GCADHN COC(=O)c1cnc(CC2CCN(C(=O)NC[C@@H]3CNCCO3)CC2)s1 ZINC000892183570 1186410070 /nfs/dbraw/zinc/41/00/70/1186410070.db2.gz ISEFYDMDNNTLPZ-ZDUSSCGKSA-N 0 3 382.486 0.882 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCCCn1cc(C(N)=O)nn1 ZINC000413447760 1186421441 /nfs/dbraw/zinc/42/14/41/1186421441.db2.gz IQGMQVAEDKHJRH-RDJZCZTQSA-N 0 3 399.499 0.977 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3nc(Cc4ccccc4)cs3)CCN2C1=O ZINC000582133572 1186429560 /nfs/dbraw/zinc/42/95/60/1186429560.db2.gz BTRIMZZWSLLGAX-CABCVRRESA-N 0 3 399.476 0.443 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CCN2C1=O ZINC000582133845 1186430481 /nfs/dbraw/zinc/43/04/81/1186430481.db2.gz PAICGYWXYKPIGR-RRFJBIMHSA-N 0 3 393.513 0.075 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NCCN(C)CCO)C[C@@H](C)O1 ZINC000892221170 1186464067 /nfs/dbraw/zinc/46/40/67/1186464067.db2.gz PAJHRWGECOUMPL-HZPDHXFCSA-N 0 3 392.500 0.275 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccnn1-c1nc(C)cc(C)n1 ZINC000277528768 1186479399 /nfs/dbraw/zinc/47/93/99/1186479399.db2.gz QKDLNHQIBKPNQZ-UHFFFAOYSA-N 0 3 389.460 0.302 20 0 GCADHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582312933 1186493445 /nfs/dbraw/zinc/49/34/45/1186493445.db2.gz QGRBWJSTCZGUIX-HOTGVXAUSA-N 0 3 385.468 0.304 20 0 GCADHN COC(=O)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(C(=O)OC)c1 ZINC000582313122 1186494312 /nfs/dbraw/zinc/49/43/12/1186494312.db2.gz ZDSVBXZOAFYGDX-UONOGXRCSA-N 0 3 390.396 0.036 20 0 GCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000119755774 1186498050 /nfs/dbraw/zinc/49/80/50/1186498050.db2.gz DKSNYNSYYHEMGC-SJLPKXTDSA-N 0 3 383.452 0.298 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3c(Cl)cccc3Cl)CCN2C1=O ZINC000582371738 1186507309 /nfs/dbraw/zinc/50/73/09/1186507309.db2.gz KUQYHVRGULISTF-YGRLFVJLSA-N 0 3 399.278 0.423 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@@H]2C1 ZINC001022723140 1186508900 /nfs/dbraw/zinc/50/89/00/1186508900.db2.gz JYGNUPAEFQGCNK-CUSZFKRNSA-N 0 3 379.501 0.582 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)O1 ZINC001022723336 1186509548 /nfs/dbraw/zinc/50/95/48/1186509548.db2.gz QNTXDUSUYNBYEH-XMTFNYHQSA-N 0 3 392.544 0.497 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CCC(N3CCCS3(=O)=O)CC2)n1 ZINC000413478281 1186513963 /nfs/dbraw/zinc/51/39/63/1186513963.db2.gz RGOXBCXKXWMOQM-UHFFFAOYSA-N 0 3 397.549 0.940 20 0 GCADHN O=C(CCN1CCCS1(=O)=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277578242 1186517600 /nfs/dbraw/zinc/51/76/00/1186517600.db2.gz YSPGBFRQXNPJGW-SFHVURJKSA-N 0 3 395.525 0.819 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000110865192 1186520933 /nfs/dbraw/zinc/52/09/33/1186520933.db2.gz VDCUHWVGCJAUQI-UHFFFAOYSA-N 0 3 386.493 0.907 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000511116747 1186522668 /nfs/dbraw/zinc/52/26/68/1186522668.db2.gz SDPFFZTVWQQCMG-GOSISDBHSA-N 0 3 386.496 0.614 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCS[C@H](C(C)C)C2)CC1 ZINC000560016413 1186529456 /nfs/dbraw/zinc/52/94/56/1186529456.db2.gz OTUHWTGAZYLNEB-SJORKVTESA-N 0 3 384.590 0.976 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)O1 ZINC000277643984 1186549369 /nfs/dbraw/zinc/54/93/69/1186549369.db2.gz MCFWDXOGTRWUFW-SQNIBIBYSA-N 0 3 390.484 0.610 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000375712039 1186551892 /nfs/dbraw/zinc/55/18/92/1186551892.db2.gz VBEBOUGKXKWRGT-PMPSAXMXSA-N 0 3 383.489 0.992 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000375712037 1186552032 /nfs/dbraw/zinc/55/20/32/1186552032.db2.gz VBEBOUGKXKWRGT-JYJNAYRXSA-N 0 3 383.489 0.992 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000375712036 1186552339 /nfs/dbraw/zinc/55/23/39/1186552339.db2.gz VBEBOUGKXKWRGT-HRCADAONSA-N 0 3 383.489 0.992 20 0 GCADHN CC(C)CN1C[C@H]2CN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)CCN2C1=O ZINC000582523191 1186557165 /nfs/dbraw/zinc/55/71/65/1186557165.db2.gz DGSAHKQAGFJGCP-ZWKOTPCHSA-N 0 3 394.564 0.800 20 0 GCADHN CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN(C)CCOC)CCO1 ZINC001709370431 1186562956 /nfs/dbraw/zinc/56/29/56/1186562956.db2.gz IUSOUEHEUFWPNZ-MRXNPFEDSA-N 0 3 394.520 0.594 20 0 GCADHN COC(=O)COc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000609405364 1186581162 /nfs/dbraw/zinc/58/11/62/1186581162.db2.gz ZWJHZXANKZPLHU-HNNXBMFYSA-N 0 3 375.425 0.777 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 ZINC000152804337 1186583671 /nfs/dbraw/zinc/58/36/71/1186583671.db2.gz CRPKGBNOBMJTDZ-INIZCTEOSA-N 0 3 398.467 0.829 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3ccc(Cl)c(N4CCNC4=O)c3)CCN2C1=O ZINC000582618381 1186587449 /nfs/dbraw/zinc/58/74/49/1186587449.db2.gz ZMHXHVRFMWQARJ-YPMHNXCESA-N 0 3 392.847 0.645 20 0 GCADHN CC(=O)NCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000564975715 1186593168 /nfs/dbraw/zinc/59/31/68/1186593168.db2.gz QAXSZHJOZCXOFM-UHFFFAOYSA-N 0 3 384.427 0.450 20 0 GCADHN CC(C)CCOc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)nn1 ZINC000657513378 1186597084 /nfs/dbraw/zinc/59/70/84/1186597084.db2.gz MXBZQHMPNUFPAO-UHFFFAOYSA-N 0 3 392.504 0.594 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCC(=O)N2CCN(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000582660279 1186601881 /nfs/dbraw/zinc/60/18/81/1186601881.db2.gz DEERJGFLJHWESC-QWFCFKBJSA-N 0 3 390.528 0.395 20 0 GCADHN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000116622093 1186609633 /nfs/dbraw/zinc/60/96/33/1186609633.db2.gz NGTVESFYKBNJGV-ZDUSSCGKSA-N 0 3 389.456 0.507 20 0 GCADHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1cnn(C[C@H](O)CO)c1 ZINC000611708686 1186611722 /nfs/dbraw/zinc/61/17/22/1186611722.db2.gz UIHHCAZTGTXTHY-IBGZPJMESA-N 0 3 388.468 0.123 20 0 GCADHN Cc1c(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000684984980 1186615169 /nfs/dbraw/zinc/61/51/69/1186615169.db2.gz OGHRJBLWKNWNEN-YJBOKZPZSA-N 0 3 385.468 0.379 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)CCn3c(=O)oc4cc(Cl)ccc43)CCN2C1=O ZINC000563440690 1186615358 /nfs/dbraw/zinc/61/53/58/1186615358.db2.gz JKHREXHWETVNQR-VXGBXAGGSA-N 0 3 378.816 0.408 20 0 GCADHN C[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(C)CC1 ZINC000892282500 1186615423 /nfs/dbraw/zinc/61/54/23/1186615423.db2.gz UBPYSWKTTQKLAO-MRXNPFEDSA-N 0 3 382.530 0.755 20 0 GCADHN C[C@H](CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000074657090 1186626449 /nfs/dbraw/zinc/62/64/49/1186626449.db2.gz YOYXLDSBALTDLS-MSOLQXFVSA-N 0 3 379.549 0.914 20 0 GCADHN CNC(=O)NC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001267171106 1186629049 /nfs/dbraw/zinc/62/90/49/1186629049.db2.gz CTHYAGMVRWBNCT-QBYUYEEZSA-N 0 3 380.489 0.618 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](CO)C1)c1ccccc1 ZINC000277843398 1186632926 /nfs/dbraw/zinc/63/29/26/1186632926.db2.gz SHQYANANJJVHCF-UFYCRDLUSA-N 0 3 385.512 0.847 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)CCN2C1=O ZINC000582736554 1186644781 /nfs/dbraw/zinc/64/47/81/1186644781.db2.gz AEZURDARTOULPT-UWVGGRQHSA-N 0 3 392.366 0.209 20 0 GCADHN CC(C)CC(=O)N[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC000153214434 1186658735 /nfs/dbraw/zinc/65/87/35/1186658735.db2.gz QVMQNEZFEVOPQC-AEFFLSMTSA-N 0 3 380.533 0.938 20 0 GCADHN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000472257157 1186664387 /nfs/dbraw/zinc/66/43/87/1186664387.db2.gz MADXZRFNULYEBJ-FUHIMQAGSA-N 0 3 379.501 0.913 20 0 GCADHN CC(C)n1ncc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc21 ZINC000582797219 1186680432 /nfs/dbraw/zinc/68/04/32/1186680432.db2.gz JXNMXLMEXARFJN-GJZGRUSLSA-N 0 3 384.440 0.326 20 0 GCADHN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000582804183 1186684761 /nfs/dbraw/zinc/68/47/61/1186684761.db2.gz KGHHGUZJOGVGSM-ZBFHGGJFSA-N 0 3 388.443 0.744 20 0 GCADHN CCOC(=O)c1nnc(C2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)[n-]1 ZINC000277920462 1186703679 /nfs/dbraw/zinc/70/36/79/1186703679.db2.gz XZNBUAVCWIUKES-UHFFFAOYSA-N 0 3 392.460 0.881 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H](C)S1 ZINC000582831533 1186705706 /nfs/dbraw/zinc/70/57/06/1186705706.db2.gz XQEXBLOGMSOMOU-GASCZTMLSA-N 0 3 382.530 0.105 20 0 GCADHN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611726358 1186709103 /nfs/dbraw/zinc/70/91/03/1186709103.db2.gz WCJQPKAWTAURRZ-TVFCKZIOSA-N 0 3 391.512 0.820 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccc(N2CCCC2)c1 ZINC000582856683 1186713821 /nfs/dbraw/zinc/71/38/21/1186713821.db2.gz PVSQVNSOGZWGOI-QGTPRVQTSA-N 0 3 399.495 0.234 20 0 GCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCN2CCN(CC)CC2)c1 ZINC000120472629 1186714262 /nfs/dbraw/zinc/71/42/62/1186714262.db2.gz FNIGJNUHWSBEIC-UHFFFAOYSA-N 0 3 382.530 0.661 20 0 GCADHN COC(=O)c1ccnc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000277953654 1186719384 /nfs/dbraw/zinc/71/93/84/1186719384.db2.gz CWPMJEKJWZWMEN-AWEZNQCLSA-N 0 3 377.445 0.932 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cncc(OCC(F)(F)F)n2)C1 ZINC000657693880 1186724909 /nfs/dbraw/zinc/72/49/09/1186724909.db2.gz UNKDGEINBORTHI-SNVBAGLBSA-N 0 3 375.351 0.814 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000582892989 1186725437 /nfs/dbraw/zinc/72/54/37/1186725437.db2.gz DWEFRCDBRIOFMI-FZMZJTMJSA-N 0 3 376.413 0.811 20 0 GCADHN CCc1ccnc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000511214444 1186728712 /nfs/dbraw/zinc/72/87/12/1186728712.db2.gz KRDNIJWBOOXDOW-KRWDZBQOSA-N 0 3 387.484 0.025 20 0 GCADHN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582915662 1186729136 /nfs/dbraw/zinc/72/91/36/1186729136.db2.gz INJMPOBLZPCYOU-KBAYOESNSA-N 0 3 386.496 0.910 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H](CO)C3)cc2)CC1 ZINC000078887461 1186733116 /nfs/dbraw/zinc/73/31/16/1186733116.db2.gz NBQIBVHSNPQGSH-LJQANCHMSA-N 0 3 376.501 0.727 20 0 GCADHN O=S1(=O)CC[C@](O)(CNCc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631148183 1186736956 /nfs/dbraw/zinc/73/69/56/1186736956.db2.gz KQBIQHWISVBXQF-SFHVURJKSA-N 0 3 384.498 0.037 20 0 GCADHN CCNC(=O)CN1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000583047539 1186756972 /nfs/dbraw/zinc/75/69/72/1186756972.db2.gz OYSICOYMOLECTC-QGZVFWFLSA-N 0 3 375.517 0.970 20 0 GCADHN Cc1nccn1-c1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1F ZINC000583095962 1186768963 /nfs/dbraw/zinc/76/89/63/1186768963.db2.gz XAKMZKQUCHJCAE-ZBFHGGJFSA-N 0 3 386.431 0.773 20 0 GCADHN COCCn1cc(CNC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cn1 ZINC000685078368 1186769292 /nfs/dbraw/zinc/76/92/92/1186769292.db2.gz CHRBPFSOHLWHFI-LJQANCHMSA-N 0 3 399.495 0.879 20 0 GCADHN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000583095462 1186769543 /nfs/dbraw/zinc/76/95/43/1186769543.db2.gz KNEHWDKAHQBDHB-FZMZJTMJSA-N 0 3 379.848 0.818 20 0 GCADHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583095222 1186769659 /nfs/dbraw/zinc/76/96/59/1186769659.db2.gz BHAGBRGIIDQANG-KGLIPLIRSA-N 0 3 383.408 0.359 20 0 GCADHN COCC(COC)N1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000413521877 1186774665 /nfs/dbraw/zinc/77/46/65/1186774665.db2.gz ZTDFYAFCJZFMDE-UHFFFAOYSA-N 0 3 385.553 0.001 20 0 GCADHN COC[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)c1ccco1 ZINC000548788446 1186776060 /nfs/dbraw/zinc/77/60/60/1186776060.db2.gz DTQWUJSBOJZFMS-DLBZAZTESA-N 0 3 392.500 0.710 20 0 GCADHN CO[C@H]1C[C@@H](N(C)C(=O)NCCCCN2CCN(CCO)CC2)C12CCC2 ZINC000458400312 1186779754 /nfs/dbraw/zinc/77/97/54/1186779754.db2.gz QYEQSSLWODCOQW-MSOLQXFVSA-N 0 3 382.549 0.976 20 0 GCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000583157823 1186784103 /nfs/dbraw/zinc/78/41/03/1186784103.db2.gz CWPLHJRTXWOEKA-MOPGFXCFSA-N 0 3 398.507 0.821 20 0 GCADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000583157831 1186784256 /nfs/dbraw/zinc/78/42/56/1186784256.db2.gz CWPLHJRTXWOEKA-RTBURBONSA-N 0 3 398.507 0.821 20 0 GCADHN COC(=O)c1ccnc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000278116012 1186788761 /nfs/dbraw/zinc/78/87/61/1186788761.db2.gz SFWFKGRRHBMGOT-AWEZNQCLSA-N 0 3 375.429 0.639 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000728551755 1186792128 /nfs/dbraw/zinc/79/21/28/1186792128.db2.gz MQVHNVRSBBDEDB-UHFFFAOYSA-N 0 3 387.484 0.298 20 0 GCADHN COc1ccccc1CNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000162661843 1186793104 /nfs/dbraw/zinc/79/31/04/1186793104.db2.gz YJXDRBQJHZOBFR-SJLPKXTDSA-N 0 3 388.512 0.938 20 0 GCADHN C[C@H](CN[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)S(C)(=O)=O ZINC000583199440 1186793746 /nfs/dbraw/zinc/79/37/46/1186793746.db2.gz OUZKYVGDETULAR-CABCVRRESA-N 0 3 383.518 0.305 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3cccc(CN4CCCCC4=O)c3)CCN2C1=O ZINC000583215841 1186797592 /nfs/dbraw/zinc/79/75/92/1186797592.db2.gz ZXDRUQZYPXABIA-DLBZAZTESA-N 0 3 385.468 0.975 20 0 GCADHN COc1ccc(-c2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)[nH]n2)cc1OC ZINC000583214599 1186798175 /nfs/dbraw/zinc/79/81/75/1186798175.db2.gz HJGVUXJTRLUUBM-CHWSQXEVSA-N 0 3 385.424 0.478 20 0 GCADHN COc1ccc([C@H](CO)CNC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000458438994 1186801827 /nfs/dbraw/zinc/80/18/27/1186801827.db2.gz LSOAINZNIFZFDI-WMZOPIPTSA-N 0 3 378.517 0.954 20 0 GCADHN COc1ccc([C@@H](CO)CNC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000458438990 1186802013 /nfs/dbraw/zinc/80/20/13/1186802013.db2.gz LSOAINZNIFZFDI-FUHWJXTLSA-N 0 3 378.517 0.954 20 0 GCADHN CCOc1cccc(CNC(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000162762130 1186807154 /nfs/dbraw/zinc/80/71/54/1186807154.db2.gz LHQXRMFHQQHENH-LJQANCHMSA-N 0 3 388.512 0.940 20 0 GCADHN CO[C@@H](CN)C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc32)CC1 ZINC000583258303 1186810026 /nfs/dbraw/zinc/81/00/26/1186810026.db2.gz WDCLZUBRKDIYQR-HNNXBMFYSA-N 0 3 392.481 0.350 20 0 GCADHN CN(C)CCn1cc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1=O ZINC000535983758 1186814100 /nfs/dbraw/zinc/81/41/00/1186814100.db2.gz QSEWLTQLYVYUAV-HOTGVXAUSA-N 0 3 388.468 0.914 20 0 GCADHN CO[C@@]1(C)CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000583279795 1186816198 /nfs/dbraw/zinc/81/61/98/1186816198.db2.gz PWVYVZLVBKZXSP-KXBFYZLASA-N 0 3 382.505 0.073 20 0 GCADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@@H]1COCCO1 ZINC001709091401 1186820694 /nfs/dbraw/zinc/82/06/94/1186820694.db2.gz RGNDSCZIGBZRLS-ZWKOTPCHSA-N 0 3 392.548 0.861 20 0 GCADHN CCN1CCN([C@@H]2CCN(CC(=O)NC3(C(=O)OC)CCCCC3)C2)CC1 ZINC000155679268 1186822458 /nfs/dbraw/zinc/82/24/58/1186822458.db2.gz MIAFADKIGDEPOK-QGZVFWFLSA-N 0 3 380.533 0.690 20 0 GCADHN CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@]1(C)COCCO1 ZINC001709091769 1186822557 /nfs/dbraw/zinc/82/25/57/1186822557.db2.gz DRUUUCCGRIWIRZ-YLJYHZDGSA-N 0 3 392.548 0.862 20 0 GCADHN CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@@]1(C)COCCO1 ZINC001709091768 1186822707 /nfs/dbraw/zinc/82/27/07/1186822707.db2.gz DRUUUCCGRIWIRZ-XLIONFOSSA-N 0 3 392.548 0.862 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000583324730 1186825494 /nfs/dbraw/zinc/82/54/94/1186825494.db2.gz IRVMAHPUENWSRT-WDYCEAGBSA-N 0 3 376.501 0.492 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3C)[C@H]2C1 ZINC000583340614 1186830995 /nfs/dbraw/zinc/83/09/95/1186830995.db2.gz JJJOUSLVGOOBDW-NOCIGQNYSA-N 0 3 389.500 0.570 20 0 GCADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156326486 1186851775 /nfs/dbraw/zinc/85/17/75/1186851775.db2.gz AWPZYMBWASMBRD-QGZVFWFLSA-N 0 3 388.512 0.753 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000583441007 1186855790 /nfs/dbraw/zinc/85/57/90/1186855790.db2.gz IGUARVYXQAAGCK-SFHVURJKSA-N 0 3 388.512 0.640 20 0 GCADHN CC[C@H](C(=O)N(CCO)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)N(C)C ZINC001719656954 1186856373 /nfs/dbraw/zinc/85/63/73/1186856373.db2.gz OGZPDDNFIQURDK-LHIBYTEYSA-N 0 3 393.528 0.562 20 0 GCADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n(-c2ccc(F)cc2)n1 ZINC000583451719 1186857465 /nfs/dbraw/zinc/85/74/65/1186857465.db2.gz FENALEHCJMSMKC-CVEARBPZSA-N 0 3 386.431 0.502 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000278262738 1186859298 /nfs/dbraw/zinc/85/92/98/1186859298.db2.gz WSLZWDURJMLFEY-SJLPKXTDSA-N 0 3 393.484 0.559 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC001211582539 1186862176 /nfs/dbraw/zinc/86/21/76/1186862176.db2.gz JBUMOXIWOVPVCV-SNVBAGLBSA-N 0 3 383.348 0.754 20 0 GCADHN COCC[C@H](Cc1ccco1)NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611769987 1186862882 /nfs/dbraw/zinc/86/28/82/1186862882.db2.gz BBNBLUYAWAIVDC-IAGOWNOFSA-N 0 3 393.484 0.713 20 0 GCADHN NC(=O)NC1(C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CC1 ZINC000163102918 1186869836 /nfs/dbraw/zinc/86/98/36/1186869836.db2.gz LYLNGKURVMKGDP-MRXNPFEDSA-N 0 3 386.500 0.643 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000156675507 1186870179 /nfs/dbraw/zinc/87/01/79/1186870179.db2.gz NSGOJHJZLUOVPU-PBHICJAKSA-N 0 3 391.497 0.335 20 0 GCADHN CSC1(CNS(=O)(=O)c2cccc(-c3nnnn3C)c2)CCN(C)CC1 ZINC000583534150 1186880171 /nfs/dbraw/zinc/88/01/71/1186880171.db2.gz AEQCAQMHLBKWMI-UHFFFAOYSA-N 0 3 396.542 0.983 20 0 GCADHN COCc1cc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1OC ZINC000635055090 1186886735 /nfs/dbraw/zinc/88/67/35/1186886735.db2.gz QEXAFVKAZKUFPI-OAHLLOKOSA-N 0 3 392.500 0.780 20 0 GCADHN CN1CCN(CCNC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)CC1(C)C ZINC000583611736 1186900544 /nfs/dbraw/zinc/90/05/44/1186900544.db2.gz MRNWYGRRRSRHCY-OAQYLSRUSA-N 0 3 387.528 0.851 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000892345906 1186901125 /nfs/dbraw/zinc/90/11/25/1186901125.db2.gz MODZUOMSIRKYOC-LSDHHAIUSA-N 0 3 388.468 0.917 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)c1ccc(Cl)cc1 ZINC000583621688 1186902378 /nfs/dbraw/zinc/90/23/78/1186902378.db2.gz VWDUMCHJLRBYJR-IAGOWNOFSA-N 0 3 395.935 0.421 20 0 GCADHN COc1cc(OC)c(OC)cc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583642659 1186906491 /nfs/dbraw/zinc/90/64/91/1186906491.db2.gz PRRUCXFKGOVFDC-CHWSQXEVSA-N 0 3 378.429 0.166 20 0 GCADHN CN1CCN(S(=O)(=O)c2ccccc2CNC2CCN(C=O)CC2)CC1 ZINC000278356441 1186906539 /nfs/dbraw/zinc/90/65/39/1186906539.db2.gz BCPLDXAYWSQVJQ-UHFFFAOYSA-N 0 3 380.514 0.333 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685175330 1186911690 /nfs/dbraw/zinc/91/16/90/1186911690.db2.gz ZLVSKXUFCQTPRY-FMKPAKJESA-N 0 3 390.488 0.021 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c2ccccc2O1 ZINC000583676047 1186915669 /nfs/dbraw/zinc/91/56/69/1186915669.db2.gz RWUKZSJEXVDLBT-YOEHRIQHSA-N 0 3 389.452 0.895 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000583685575 1186918495 /nfs/dbraw/zinc/91/84/95/1186918495.db2.gz JMHHMRISRRUGED-LBPRGKRZSA-N 0 3 380.411 0.455 20 0 GCADHN CCOc1ccc(C(=O)NCC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000583692999 1186918592 /nfs/dbraw/zinc/91/85/92/1186918592.db2.gz TZWBDLHVAZGERL-INIZCTEOSA-N 0 3 386.456 0.729 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000583696438 1186919616 /nfs/dbraw/zinc/91/96/16/1186919616.db2.gz VTZSCQLTLBOPKT-INIZCTEOSA-N 0 3 375.429 0.702 20 0 GCADHN CN(CCCOc1ccc(F)cc1)C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583704950 1186923814 /nfs/dbraw/zinc/92/38/14/1186923814.db2.gz WZTYRFVOBSVNDZ-NVXWUHKLSA-N 0 3 378.448 0.297 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3cc(F)c(Cl)cc3F)CCN2C1=O ZINC000583705080 1186923882 /nfs/dbraw/zinc/92/38/82/1186923882.db2.gz CHDZVJYVVLAYQQ-RNCFNFMXSA-N 0 3 386.786 0.005 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCCS2)CC1 ZINC000685191935 1186928524 /nfs/dbraw/zinc/92/85/24/1186928524.db2.gz BQVIVDURNPPUJY-HUUCEWRRSA-N 0 3 382.530 0.153 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCc2sc(C)nc2C)CC1 ZINC000583767733 1186936087 /nfs/dbraw/zinc/93/60/87/1186936087.db2.gz SBUNSOZGOBLTCN-CQSZACIVSA-N 0 3 395.573 0.808 20 0 GCADHN NC(=O)c1ccccc1NCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000278413538 1186936248 /nfs/dbraw/zinc/93/62/48/1186936248.db2.gz PWNZDGQXTZVBLL-QGZVFWFLSA-N 0 3 382.464 0.733 20 0 GCADHN CCN(CC)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@]2(C)C1 ZINC001719683506 1186936666 /nfs/dbraw/zinc/93/66/66/1186936666.db2.gz QGQGKYUPYVKRNH-QFFBRLJFSA-N 0 3 393.528 0.687 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C(=O)N4CCOCC4)cc3)C[C@@H]2C1 ZINC000278418141 1186937718 /nfs/dbraw/zinc/93/77/18/1186937718.db2.gz QEGTYZISPZMTCO-IYBDPMFKSA-N 0 3 379.482 0.341 20 0 GCADHN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(C2CCCC2)CC1 ZINC000329430553 1186937996 /nfs/dbraw/zinc/93/79/96/1186937996.db2.gz HOWGEVZIEBGUKM-IBGZPJMESA-N 0 3 392.544 0.787 20 0 GCADHN C[C@@H]1[C@H](NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)CCCN1C ZINC000458673421 1186938437 /nfs/dbraw/zinc/93/84/37/1186938437.db2.gz YCPJUJYHCXLTMW-FVQBIDKESA-N 0 3 389.566 0.723 20 0 GCADHN Cc1ccc(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(=O)n1C ZINC000278423104 1186939141 /nfs/dbraw/zinc/93/91/41/1186939141.db2.gz IWZFDYFJWDKMEL-INIZCTEOSA-N 0 3 377.489 0.436 20 0 GCADHN CCCN(C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@]2(C)C1 ZINC001719689364 1186944372 /nfs/dbraw/zinc/94/43/72/1186944372.db2.gz OGBLCVNDKMIERR-QFFBRLJFSA-N 0 3 393.528 0.687 20 0 GCADHN CCN1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000583886730 1186956768 /nfs/dbraw/zinc/95/67/68/1186956768.db2.gz ZGPFAMQTFAPYDA-MRXNPFEDSA-N 0 3 376.505 0.463 20 0 GCADHN Cc1nc(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cs1 ZINC000583883668 1186957637 /nfs/dbraw/zinc/95/76/37/1186957637.db2.gz XZLIYDCBNXBBRU-TZMCWYRMSA-N 0 3 399.476 0.827 20 0 GCADHN Cc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCC[C@H](n3cc(CN)nn3)C1)CO2 ZINC000583921856 1186963004 /nfs/dbraw/zinc/96/30/04/1186963004.db2.gz DGYJNOIWWIKEAW-GOEBONIOSA-N 0 3 384.440 0.459 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000583949128 1186967208 /nfs/dbraw/zinc/96/72/08/1186967208.db2.gz NAFPEXSAVUAIPO-GDBMZVCRSA-N 0 3 377.489 0.483 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1=O ZINC000132112762 1186968876 /nfs/dbraw/zinc/96/88/76/1186968876.db2.gz ONTNIXKCMBPWAP-SWLSCSKDSA-N 0 3 394.422 0.596 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000278523543 1186968962 /nfs/dbraw/zinc/96/89/62/1186968962.db2.gz YMRLCYPNCSFOND-PBHICJAKSA-N 0 3 390.488 0.420 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cn(Cc2cccs2)nn1 ZINC000536176309 1186971959 /nfs/dbraw/zinc/97/19/59/1186971959.db2.gz FSGRCPGHEQPDHT-UHFFFAOYSA-N 0 3 392.529 0.508 20 0 GCADHN COc1ccc([C@@H](CNC(=O)CN2C[C@@H](O)[C@@H](O)C2)N2CCCCC2)cc1 ZINC000278543353 1186973601 /nfs/dbraw/zinc/97/36/01/1186973601.db2.gz AIWROIRHBJBJCL-QRVBRYPASA-N 0 3 377.485 0.376 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000584015773 1186981717 /nfs/dbraw/zinc/98/17/17/1186981717.db2.gz WPULFNMNCRICHD-QGZVFWFLSA-N 0 3 387.484 0.243 20 0 GCADHN O=C(NC[C@H]1CCCN(CCN2CCCC2=O)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001023505407 1186983888 /nfs/dbraw/zinc/98/38/88/1186983888.db2.gz XBLJYRQOYPTQFO-VUHPKUFZSA-N 0 3 379.501 0.489 20 0 GCADHN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000458776757 1186985404 /nfs/dbraw/zinc/98/54/04/1186985404.db2.gz NZJOBXRPUHARFI-LSDHHAIUSA-N 0 3 388.534 0.089 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000569639179 1186985478 /nfs/dbraw/zinc/98/54/78/1186985478.db2.gz FMDKINYVVPRKCZ-INIZCTEOSA-N 0 3 376.505 0.435 20 0 GCADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)C[C@@H](C)O2 ZINC000584039275 1186987868 /nfs/dbraw/zinc/98/78/68/1186987868.db2.gz YRRVCEIXWHUZNJ-YLAKUSLOSA-N 0 3 379.501 0.868 20 0 GCADHN CC[C@@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1CCOCC1 ZINC000584118068 1187001828 /nfs/dbraw/zinc/00/18/28/1187001828.db2.gz GKQCCZGTWILOOV-SJORKVTESA-N 0 3 396.532 0.367 20 0 GCADHN CN(C(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C1CCN(C)CC1 ZINC000329701675 1187010652 /nfs/dbraw/zinc/01/06/52/1187010652.db2.gz HPDCJNBATUJCDQ-UHFFFAOYSA-N 0 3 381.498 0.874 20 0 GCADHN CCN(C)C(=O)CNC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000584196293 1187013169 /nfs/dbraw/zinc/01/31/69/1187013169.db2.gz MIGXLGNNYXUAMU-CQSZACIVSA-N 0 3 375.473 0.318 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)n1 ZINC000584214434 1187016265 /nfs/dbraw/zinc/01/62/65/1187016265.db2.gz YIHGYGGUVNPJGY-UHFFFAOYSA-N 0 3 379.505 1.499 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)C[C@@H]1O ZINC000584241684 1187019967 /nfs/dbraw/zinc/01/99/67/1187019967.db2.gz RQKUBRKOGNWUEV-IKGGRYGDSA-N 0 3 377.489 0.151 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(-c4ccccc4)o3)CCN2C1=O ZINC000584243467 1187020438 /nfs/dbraw/zinc/02/04/38/1187020438.db2.gz BXQRJCINRMBPEH-ZBFHGGJFSA-N 0 3 382.420 0.333 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)[nH]c(=O)n4CC(F)(F)F)CCN2C1=O ZINC000584242680 1187020521 /nfs/dbraw/zinc/02/05/21/1187020521.db2.gz BWDXYMMMDZSACI-MNOVXSKESA-N 0 3 397.357 0.688 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)CCC(=O)N3CCc4sccc4C3)CCN2C1=O ZINC000584243334 1187020681 /nfs/dbraw/zinc/02/06/81/1187020681.db2.gz XHIILAXTJBFKPL-UONOGXRCSA-N 0 3 376.482 0.183 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)CCC(=O)N3CCc4sccc4C3)CCN2C1=O ZINC000584243335 1187020870 /nfs/dbraw/zinc/02/08/70/1187020870.db2.gz XHIILAXTJBFKPL-ZIAGYGMSSA-N 0 3 376.482 0.183 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)CN2CCCC2=O)o1 ZINC000584248037 1187021908 /nfs/dbraw/zinc/02/19/08/1187021908.db2.gz YNCMHDGQRKQABV-CQSZACIVSA-N 0 3 378.473 0.605 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)CC1 ZINC000584297725 1187027888 /nfs/dbraw/zinc/02/78/88/1187027888.db2.gz XBHBZCNJWFELFN-YWZLYKJASA-N 0 3 397.516 0.398 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(C(=O)Nc4ccccc4)C3)CCN2C1=O ZINC000584302696 1187028431 /nfs/dbraw/zinc/02/84/31/1187028431.db2.gz LLDSAVMGNGAJCP-BZUAXINKSA-N 0 3 386.456 0.246 20 0 GCADHN CN(C)c1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c2ccccc2n1 ZINC000584303343 1187028882 /nfs/dbraw/zinc/02/88/82/1187028882.db2.gz SQIDGQOCTUAFRH-HOCLYGCPSA-N 0 3 382.468 0.754 20 0 GCADHN COC(=O)C12CCC(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)(CC1)C2 ZINC000584325663 1187032911 /nfs/dbraw/zinc/03/29/11/1187032911.db2.gz JHKHEKPFGLXDBX-VMEOHVCESA-N 0 3 377.485 0.875 20 0 GCADHN COCCNCC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000584349800 1187036499 /nfs/dbraw/zinc/03/64/99/1187036499.db2.gz RDYURWCHIPIQAH-INIZCTEOSA-N 0 3 381.498 0.606 20 0 GCADHN COc1ccc(-c2noc(CCC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)n2)cc1 ZINC000584361819 1187040392 /nfs/dbraw/zinc/04/03/92/1187040392.db2.gz DWLKIAPYCVRUNU-ZFWWWQNUSA-N 0 3 385.424 0.448 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)CC(=O)N3C)CC1 ZINC000278739497 1187041173 /nfs/dbraw/zinc/04/11/73/1187041173.db2.gz MPPKNJVMSUFMRX-KRWDZBQOSA-N 0 3 385.468 0.976 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000278754889 1187048058 /nfs/dbraw/zinc/04/80/58/1187048058.db2.gz KHIOQCVFXSFZFY-UHFFFAOYSA-N 0 3 382.486 0.559 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCSc3ccc(Cl)cc3)CCN2C1=O ZINC000584422415 1187056907 /nfs/dbraw/zinc/05/69/07/1187056907.db2.gz WLDGLKRVTFLRFD-GXTWGEPZSA-N 0 3 396.900 0.319 20 0 GCADHN COCCN(C(=O)COc1ccc2c(c1)OCCNC2)[C@H]1CCS(=O)(=O)C1 ZINC000574982285 1187057802 /nfs/dbraw/zinc/05/78/02/1187057802.db2.gz VZPWIPYGNKTQAZ-HNNXBMFYSA-N 0 3 398.481 0.210 20 0 GCADHN CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)C[C@H]32)CCC1 ZINC000972639374 1187069053 /nfs/dbraw/zinc/06/90/53/1187069053.db2.gz ZJRWAQCMMNOEOG-QKPAOTATSA-N 0 3 376.501 0.432 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CCn2cnc3c2ncnc3N)CC1 ZINC000611868042 1187070823 /nfs/dbraw/zinc/07/08/23/1187070823.db2.gz YDQLPKWAYPEKKN-UHFFFAOYSA-N 0 3 375.477 0.804 20 0 GCADHN COCCN1CCC(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000141462807 1187080485 /nfs/dbraw/zinc/08/04/85/1187080485.db2.gz KOBFXIBIXVGTQR-IFXJQAMLSA-N 0 3 380.489 0.714 20 0 GCADHN CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000143039506 1187080578 /nfs/dbraw/zinc/08/05/78/1187080578.db2.gz WAUUPZBQFGQIPM-CQSZACIVSA-N 0 3 392.525 0.857 20 0 GCADHN COCCN1CCC(NC(=O)Nc2ccccc2CN2C(=O)CNC2=O)CC1 ZINC000144141290 1187082861 /nfs/dbraw/zinc/08/28/61/1187082861.db2.gz KQKPJNNBXMACMR-UHFFFAOYSA-N 0 3 389.456 0.971 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000147533403 1187083559 /nfs/dbraw/zinc/08/35/59/1187083559.db2.gz AJQOLODNDNTHDU-UHFFFAOYSA-N 0 3 384.502 0.100 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O)N1CCCC1 ZINC000145690468 1187084042 /nfs/dbraw/zinc/08/40/42/1187084042.db2.gz NVBVHNUHUQRELJ-AWEZNQCLSA-N 0 3 386.452 0.875 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000148624439 1187087614 /nfs/dbraw/zinc/08/76/14/1187087614.db2.gz QKMAMXXHYSEOPH-UHFFFAOYSA-N 0 3 375.473 0.847 20 0 GCADHN Cn1c(=O)ccn(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1=O ZINC000138686553 1187096934 /nfs/dbraw/zinc/09/69/34/1187096934.db2.gz JLUAKLGWBYQFHM-UHFFFAOYSA-N 0 3 388.493 0.777 20 0 GCADHN C[C@H](NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C1=CCN(C)CC1 ZINC000511271833 1187105720 /nfs/dbraw/zinc/10/57/20/1187105720.db2.gz XGQXKWXIPQEWFP-HOCLYGCPSA-N 0 3 388.534 0.425 20 0 GCADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F)[C@H]1CN(C)CCO1 ZINC000685342082 1187107960 /nfs/dbraw/zinc/10/79/60/1187107960.db2.gz VYQHBSXMANTQIW-MAUKXSAKSA-N 0 3 394.491 0.551 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000139320223 1187116540 /nfs/dbraw/zinc/11/65/40/1187116540.db2.gz KIPWWBVMRMIRFK-OAHLLOKOSA-N 0 3 384.477 0.936 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000685407415 1187124867 /nfs/dbraw/zinc/12/48/67/1187124867.db2.gz KQWWHHVIXABQCV-GVDBMIGSSA-N 0 3 378.517 0.156 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)N1CCCCC1 ZINC001719805601 1187130200 /nfs/dbraw/zinc/13/02/00/1187130200.db2.gz PWJQJOMERAQSAN-IKGGRYGDSA-N 0 3 378.517 0.977 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCCN1C(C)C ZINC001719805660 1187131129 /nfs/dbraw/zinc/13/11/29/1187131129.db2.gz SJEFZPKXLRNKMY-VSZNYVQBSA-N 0 3 378.517 0.976 20 0 GCADHN COCCN1CCC(NC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000140224958 1187132320 /nfs/dbraw/zinc/13/23/20/1187132320.db2.gz QLHVMDRYAPRELY-UHFFFAOYSA-N 0 3 395.504 0.651 20 0 GCADHN COCCN1CCC(NC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000140252854 1187133996 /nfs/dbraw/zinc/13/39/96/1187133996.db2.gz QYKZUWJAGOCRID-CYBMUJFWSA-N 0 3 384.502 0.805 20 0 GCADHN COCCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000140301973 1187134632 /nfs/dbraw/zinc/13/46/32/1187134632.db2.gz NNPMWDSFACWHNY-UHFFFAOYSA-N 0 3 398.529 0.683 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000685520030 1187142693 /nfs/dbraw/zinc/14/26/93/1187142693.db2.gz IPLJXWLAOFIHEK-MRXNPFEDSA-N 0 3 390.484 0.801 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000685521001 1187144497 /nfs/dbraw/zinc/14/44/97/1187144497.db2.gz QFRRIATYBQHXAP-HNNXBMFYSA-N 0 3 395.548 0.875 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)cn1 ZINC000611937258 1187145394 /nfs/dbraw/zinc/14/53/94/1187145394.db2.gz OYSHVKAAZBLMRY-UHFFFAOYSA-N 0 3 396.495 0.867 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)[C@@H](C)NS(C)(=O)=O)CC2)c1 ZINC000141661310 1187147330 /nfs/dbraw/zinc/14/73/30/1187147330.db2.gz PGNRBEGWYNHQFS-QGZVFWFLSA-N 0 3 396.557 0.951 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)N1CCN(c2ccc3nncn3n2)CC1 ZINC000564786311 1187149049 /nfs/dbraw/zinc/14/90/49/1187149049.db2.gz BYARMNNAQZJDSO-KRWDZBQOSA-N 0 3 392.467 0.843 20 0 GCADHN C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000143220841 1187159409 /nfs/dbraw/zinc/15/94/09/1187159409.db2.gz VROKVDIADDULSF-MRXNPFEDSA-N 0 3 384.484 0.774 20 0 GCADHN O=C(CNS(=O)(=O)c1ccccc1F)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000685602621 1187177717 /nfs/dbraw/zinc/17/77/17/1187177717.db2.gz HXRPQBKUMLVBQZ-HNNXBMFYSA-N 0 3 399.488 0.817 20 0 GCADHN CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000657990820 1187229145 /nfs/dbraw/zinc/22/91/45/1187229145.db2.gz OTSOHHSDMJJDDW-XJKSGUPXSA-N 0 3 394.497 0.574 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000612045570 1187245078 /nfs/dbraw/zinc/24/50/78/1187245078.db2.gz VDHBALJYRNXBJB-RBUKOAKNSA-N 0 3 392.544 0.690 20 0 GCADHN C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)[C@H]1CN(C)CCO1 ZINC000635710956 1187248195 /nfs/dbraw/zinc/24/81/95/1187248195.db2.gz AIPHQLDLZIUGHU-SUMWQHHRSA-N 0 3 375.473 0.752 20 0 GCADHN COCCNCC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000648203721 1187249884 /nfs/dbraw/zinc/24/98/84/1187249884.db2.gz BBNLKYPSQGZBJW-MRXNPFEDSA-N 0 3 381.448 0.195 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000658262645 1187262939 /nfs/dbraw/zinc/26/29/39/1187262939.db2.gz UBLYKSPFSVATRF-AWEZNQCLSA-N 0 3 376.457 0.739 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000658262770 1187262963 /nfs/dbraw/zinc/26/29/63/1187262963.db2.gz VLKUJWVXQVZDQM-HNNXBMFYSA-N 0 3 396.513 0.663 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N(C2CC2)C2CCCC2)CC1 ZINC000658302577 1187267423 /nfs/dbraw/zinc/26/74/23/1187267423.db2.gz VSRCQKZGXUEZRL-UHFFFAOYSA-N 0 3 376.501 0.687 20 0 GCADHN COc1ncncc1NC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000658481543 1187316536 /nfs/dbraw/zinc/31/65/36/1187316536.db2.gz LXWVDNNIMRWRLP-UHFFFAOYSA-N 0 3 384.440 0.847 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000658504353 1187319875 /nfs/dbraw/zinc/31/98/75/1187319875.db2.gz MEDMWNZNUVLGLC-KRWDZBQOSA-N 0 3 381.448 0.590 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(C(=O)OC)c(F)cc2F)CC1 ZINC000148587925 1187326506 /nfs/dbraw/zinc/32/65/06/1187326506.db2.gz AEMWBUKFIWBBNB-UHFFFAOYSA-N 0 3 399.394 0.917 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000658530002 1187326574 /nfs/dbraw/zinc/32/65/74/1187326574.db2.gz VUVOWGPJQNVWSZ-OAHLLOKOSA-N 0 3 399.438 0.729 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000658522156 1187328729 /nfs/dbraw/zinc/32/87/29/1187328729.db2.gz MITGMAVEGJQNSG-IRXDYDNUSA-N 0 3 394.516 0.027 20 0 GCADHN COc1cccc(OC)c1CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000658523374 1187329428 /nfs/dbraw/zinc/32/94/28/1187329428.db2.gz WSDMKAFPPFWRMS-OAHLLOKOSA-N 0 3 393.484 0.889 20 0 GCADHN NC(=O)c1csc(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)n1 ZINC000658522566 1187329441 /nfs/dbraw/zinc/32/94/41/1187329441.db2.gz FOUSSGWLCMLIDK-UHFFFAOYSA-N 0 3 379.486 0.335 20 0 GCADHN C[C@@H]1CC(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H](C)C1 ZINC000658534882 1187336595 /nfs/dbraw/zinc/33/65/95/1187336595.db2.gz FDLAQOSSPBXGBG-IRXDYDNUSA-N 0 3 392.544 0.942 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cc(C)cc(C)c2)CC1 ZINC000658535745 1187337145 /nfs/dbraw/zinc/33/71/45/1187337145.db2.gz JKODZDNKPVVIOZ-UHFFFAOYSA-N 0 3 388.512 0.932 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)C1 ZINC000685716183 1187343654 /nfs/dbraw/zinc/34/36/54/1187343654.db2.gz BOBSZLLSEGPWEV-MRXNPFEDSA-N 0 3 397.497 0.395 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CC(C)C)C1 ZINC000685716462 1187343673 /nfs/dbraw/zinc/34/36/73/1187343673.db2.gz PGMMJAZETZANOQ-NVXWUHKLSA-N 0 3 379.505 0.710 20 0 GCADHN COc1cccc(OC)c1CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000658570044 1187349947 /nfs/dbraw/zinc/34/99/47/1187349947.db2.gz IFGYHIFJUIURSL-UHFFFAOYSA-N 0 3 392.500 0.416 20 0 GCADHN COc1ccc(N2C[C@H](NC(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2=O)cc1 ZINC000612178648 1187359857 /nfs/dbraw/zinc/35/98/57/1187359857.db2.gz UDSJXBHIHDDSAJ-ZBFHGGJFSA-N 0 3 388.468 0.469 20 0 GCADHN COc1ccc(N2C[C@H](NC(=O)C(=O)N(C)CCN(C)C3CC3)CC2=O)cc1 ZINC000612178341 1187360824 /nfs/dbraw/zinc/36/08/24/1187360824.db2.gz QPFLVAKKFZWELS-CQSZACIVSA-N 0 3 388.468 0.469 20 0 GCADHN COc1ccc(N2C[C@@H](NC(=O)C(=O)N(CCN(C)C)C(C)C)CC2=O)cc1 ZINC000612180807 1187368074 /nfs/dbraw/zinc/36/80/74/1187368074.db2.gz YPKRYIWGFHPKEM-HNNXBMFYSA-N 0 3 390.484 0.715 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000658605933 1187379082 /nfs/dbraw/zinc/37/90/82/1187379082.db2.gz ICQPKDUXAHYOQZ-INIZCTEOSA-N 0 3 378.473 0.103 20 0 GCADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000658634983 1187394359 /nfs/dbraw/zinc/39/43/59/1187394359.db2.gz KIXGLIPBBJZLNU-ZWKOTPCHSA-N 0 3 375.469 0.593 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]2COCCO2)c1 ZINC000658676597 1187408247 /nfs/dbraw/zinc/40/82/47/1187408247.db2.gz SUYXCLAZCDDIBP-GOSISDBHSA-N 0 3 393.484 0.459 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)Cc3cn(C)nn3)c2)CC1 ZINC000658676878 1187408853 /nfs/dbraw/zinc/40/88/53/1187408853.db2.gz LWZAWOPQZSPHFZ-UHFFFAOYSA-N 0 3 399.499 0.943 20 0 GCADHN C[C@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@@H](C)C1 ZINC000658677667 1187409492 /nfs/dbraw/zinc/40/94/92/1187409492.db2.gz RYMAJNTXZJBXKI-VSZNYVQBSA-N 0 3 392.544 0.940 20 0 GCADHN C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000612221628 1187410803 /nfs/dbraw/zinc/41/08/03/1187410803.db2.gz VHJYRFBOSJGMDZ-QFBILLFUSA-N 0 3 388.512 0.887 20 0 GCADHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000612222145 1187410880 /nfs/dbraw/zinc/41/08/80/1187410880.db2.gz ZQRUQQCHBYZPSP-GOSISDBHSA-N 0 3 387.484 0.147 20 0 GCADHN C[C@H]1C[C@H](CO)CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000612221627 1187410886 /nfs/dbraw/zinc/41/08/86/1187410886.db2.gz VHJYRFBOSJGMDZ-LPHOPBHVSA-N 0 3 388.512 0.887 20 0 GCADHN CC(=O)N[C@H]1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000612222146 1187410940 /nfs/dbraw/zinc/41/09/40/1187410940.db2.gz ZQRUQQCHBYZPSP-SFHVURJKSA-N 0 3 387.484 0.147 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCN2C(C)(C)C)CCN1CCOC ZINC000658694213 1187413517 /nfs/dbraw/zinc/41/35/17/1187413517.db2.gz CHMUPYKRMAGIEN-DLBZAZTESA-N 0 3 382.549 0.935 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)cc1 ZINC000658706939 1187419451 /nfs/dbraw/zinc/41/94/51/1187419451.db2.gz MHUDHWKQPPDWNJ-CQSZACIVSA-N 0 3 396.513 0.770 20 0 GCADHN CN1CCCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000636036439 1187433019 /nfs/dbraw/zinc/43/30/19/1187433019.db2.gz IVEVBVKZUTVTGO-IRXDYDNUSA-N 0 3 380.533 0.425 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1 ZINC000151064141 1187448112 /nfs/dbraw/zinc/44/81/12/1187448112.db2.gz GNKBQWYOFUWWIV-MRXNPFEDSA-N 0 3 394.422 0.460 20 0 GCADHN CC(C)[C@@H](NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccccc1F ZINC000658775866 1187455719 /nfs/dbraw/zinc/45/57/19/1187455719.db2.gz NBIVPTXASQEMRO-GOSISDBHSA-N 0 3 392.475 0.871 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)C1 ZINC000658776831 1187456248 /nfs/dbraw/zinc/45/62/48/1187456248.db2.gz BFADNZPVTKIYSR-LLVKDONJSA-N 0 3 382.848 0.987 20 0 GCADHN Cc1cc(N2CC[C@@H](NC(=O)NC[C@H](C)CN3CCN(C)CC3)C2=O)n(C)n1 ZINC000175788374 1187456797 /nfs/dbraw/zinc/45/67/97/1187456797.db2.gz RGHAHFKORVYPAF-GOEBONIOSA-N 0 3 391.520 0.017 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1 ZINC000658777736 1187457433 /nfs/dbraw/zinc/45/74/33/1187457433.db2.gz IIRQMDPTXOLFPF-OAHLLOKOSA-N 0 3 396.513 0.912 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)C1 ZINC000658778711 1187459239 /nfs/dbraw/zinc/45/92/39/1187459239.db2.gz OXJQVXOFQBSGTK-CQSZACIVSA-N 0 3 382.486 0.906 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)C1 ZINC000658779140 1187460633 /nfs/dbraw/zinc/46/06/33/1187460633.db2.gz OMNQRLLYFOIPKJ-HNNXBMFYSA-N 0 3 397.497 0.646 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000658779731 1187461475 /nfs/dbraw/zinc/46/14/75/1187461475.db2.gz SWYPVSQZLOGLMZ-AWEZNQCLSA-N 0 3 383.452 0.882 20 0 GCADHN CC(C)[C@H](CNC(=O)N1CCN(C[C@H]2CCCO2)CC1)N1CCN(C)CC1 ZINC000612337293 1187465431 /nfs/dbraw/zinc/46/54/31/1187465431.db2.gz PRAWFGDQEMIOQZ-MOPGFXCFSA-N 0 3 381.565 0.765 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)Cn3c4ccccc4n(C)c3=O)C2)CC1 ZINC000375877965 1187465845 /nfs/dbraw/zinc/46/58/45/1187465845.db2.gz UNFUHLXKMTXUKG-QGZVFWFLSA-N 0 3 385.512 0.967 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCOC(C)(C)C)CC1 ZINC000612352560 1187470081 /nfs/dbraw/zinc/47/00/81/1187470081.db2.gz IYIYUUWSOMLZBB-HNNXBMFYSA-N 0 3 382.505 0.073 20 0 GCADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](CCCOC([O-])=NC(N)=O)C2)CC1 ZINC000375897567 1187476465 /nfs/dbraw/zinc/47/64/65/1187476465.db2.gz JFRCUZGZXZKDRZ-CQSZACIVSA-N 0 3 399.492 0.808 20 0 GCADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](CCCOC([O-])=NC(N)=O)C2)CC1 ZINC000375897567 1187476470 /nfs/dbraw/zinc/47/64/70/1187476470.db2.gz JFRCUZGZXZKDRZ-CQSZACIVSA-N 0 3 399.492 0.808 20 0 GCADHN CCOC(=O)[C@@](C)(O)CN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375898504 1187477342 /nfs/dbraw/zinc/47/73/42/1187477342.db2.gz UDPBUNMUUNQNIW-KXBFYZLASA-N 0 3 385.505 0.928 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c2ccccc2O1 ZINC000612399619 1187481667 /nfs/dbraw/zinc/48/16/67/1187481667.db2.gz DGKANAVGXMSDDJ-UONOGXRCSA-N 0 3 382.486 0.258 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccnc2)c2ccccc2O1 ZINC000612400595 1187482376 /nfs/dbraw/zinc/48/23/76/1187482376.db2.gz OSLBBWDDAXMSPE-AWEZNQCLSA-N 0 3 390.465 0.716 20 0 GCADHN C[C@@H](NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C1=CCN(C)CC1 ZINC000511351095 1187488266 /nfs/dbraw/zinc/48/82/66/1187488266.db2.gz NMXVXMOTXVFAPL-CXAGYDPISA-N 0 3 398.463 0.683 20 0 GCADHN COCCOc1cc(C)ccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584481176 1187492879 /nfs/dbraw/zinc/49/28/79/1187492879.db2.gz CWWGGQZLJITWKW-JKSUJKDBSA-N 0 3 376.457 0.474 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000570006215 1187499651 /nfs/dbraw/zinc/49/96/51/1187499651.db2.gz XIUJREAESOIQDK-GJZGRUSLSA-N 0 3 380.514 0.669 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612479510 1187503417 /nfs/dbraw/zinc/50/34/17/1187503417.db2.gz CPHRIQJLDULKRB-JKSUJKDBSA-N 0 3 380.533 0.986 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000612481046 1187504225 /nfs/dbraw/zinc/50/42/25/1187504225.db2.gz OMWBQTIYFNMUMP-OALUTQOASA-N 0 3 394.560 0.794 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000612481909 1187504278 /nfs/dbraw/zinc/50/42/78/1187504278.db2.gz GRXBCKDKPRORRX-MRXNPFEDSA-N 0 3 378.517 0.694 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000612482021 1187504631 /nfs/dbraw/zinc/50/46/31/1187504631.db2.gz IQLXNZLWXGALNR-RCCFBDPRSA-N 0 3 399.532 0.095 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000612484603 1187505660 /nfs/dbraw/zinc/50/56/60/1187505660.db2.gz CCOVYERNRJGDDZ-MRXNPFEDSA-N 0 3 376.505 0.305 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)CN3CCC(C)CC3)CC2)on1 ZINC000612487323 1187506333 /nfs/dbraw/zinc/50/63/33/1187506333.db2.gz RTFJPNRCUKMXIA-QGZVFWFLSA-N 0 3 391.516 0.864 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@H](C)CN3CCC(C)CC3)CC2)no1 ZINC000612488158 1187506720 /nfs/dbraw/zinc/50/67/20/1187506720.db2.gz XRDPEUFSHNRQPD-MRXNPFEDSA-N 0 3 391.516 0.864 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000612488149 1187507059 /nfs/dbraw/zinc/50/70/59/1187507059.db2.gz XOINTGCSIVITQF-AWEZNQCLSA-N 0 3 378.439 0.930 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CC1 ZINC000612524357 1187514257 /nfs/dbraw/zinc/51/42/57/1187514257.db2.gz VDCLROQCWAFGLT-SQNIBIBYSA-N 0 3 390.528 0.933 20 0 GCADHN CCC1(Cn2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)nn2)COC1 ZINC000612524039 1187514510 /nfs/dbraw/zinc/51/45/10/1187514510.db2.gz RSCWWLSXWOTILI-INIZCTEOSA-N 0 3 390.488 0.083 20 0 GCADHN O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000375967508 1187514778 /nfs/dbraw/zinc/51/47/78/1187514778.db2.gz CORUKEVTXYMBQW-UXLLHSPISA-N 0 3 391.493 0.025 20 0 GCADHN O=C(Nc1cccc(-n2ccnn2)c1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000658802818 1187516857 /nfs/dbraw/zinc/51/68/57/1187516857.db2.gz LYJYXMRYULUZQA-KRWDZBQOSA-N 0 3 384.440 0.575 20 0 GCADHN O=C(CCNS(=O)(=O)c1ccccc1F)N[C@H](CO)CN1CCCCC1 ZINC000413802153 1187517509 /nfs/dbraw/zinc/51/75/09/1187517509.db2.gz GRECOZILQLLTBE-AWEZNQCLSA-N 0 3 387.477 0.457 20 0 GCADHN COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)[C@H](CN)OC)CC2 ZINC000570089203 1187517950 /nfs/dbraw/zinc/51/79/50/1187517950.db2.gz YRBOIWAESPCLGY-KRWDZBQOSA-N 0 3 379.457 0.459 20 0 GCADHN NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413802682 1187518253 /nfs/dbraw/zinc/51/82/53/1187518253.db2.gz HVWFSZUIHKSSPY-MAUKXSAKSA-N 0 3 387.484 0.710 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC000612549230 1187519932 /nfs/dbraw/zinc/51/99/32/1187519932.db2.gz VYNMYUQNWUDMIV-GFCCVEGCSA-N 0 3 382.402 0.632 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)C1 ZINC000612543476 1187519945 /nfs/dbraw/zinc/51/99/45/1187519945.db2.gz PVQXMUFYFRCXGN-FUHWJXTLSA-N 0 3 375.469 0.893 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N(CCO)Cc2cc(OC)ccc2OC)C1 ZINC000612549050 1187519960 /nfs/dbraw/zinc/51/99/60/1187519960.db2.gz VMNRMJAWPBZBBK-MRXNPFEDSA-N 0 3 393.484 0.625 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1 ZINC000612549491 1187520211 /nfs/dbraw/zinc/52/02/11/1187520211.db2.gz ZOMJFKBGNDOKIB-HOTGVXAUSA-N 0 3 380.533 0.988 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3csc(CC)n3)CC2)C1 ZINC000612551635 1187520666 /nfs/dbraw/zinc/52/06/66/1187520666.db2.gz QIRRXRZMAQDTHT-OAHLLOKOSA-N 0 3 393.557 0.950 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3nc(CC)ns3)CC2)C1 ZINC000612548874 1187520767 /nfs/dbraw/zinc/52/07/67/1187520767.db2.gz SLDLKQISRBHULK-ZDUSSCGKSA-N 0 3 380.518 0.350 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000612553456 1187520907 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CCCN1CC[C@@H](NC(=O)C(=O)N2CCCN(c3nc(CC)ns3)CC2)C1 ZINC000612547378 1187523002 /nfs/dbraw/zinc/52/30/02/1187523002.db2.gz CEDBUHVZWRMQIB-CQSZACIVSA-N 0 3 394.545 0.740 20 0 GCADHN COc1ccccc1C(=O)NCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000375995879 1187533245 /nfs/dbraw/zinc/53/32/45/1187533245.db2.gz UVBMDOLSPIYXLK-INIZCTEOSA-N 0 3 388.468 0.366 20 0 GCADHN COCCN(Cc1ccc(C)o1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612595582 1187535013 /nfs/dbraw/zinc/53/50/13/1187535013.db2.gz IWXYUYKHEGXAGK-QGZVFWFLSA-N 0 3 393.484 0.933 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H](C(F)(F)F)O1 ZINC000612594887 1187535453 /nfs/dbraw/zinc/53/54/53/1187535453.db2.gz CZJMKBARXHCLRH-KWCYVHTRSA-N 0 3 393.406 0.534 20 0 GCADHN COCCO[C@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000612595174 1187535478 /nfs/dbraw/zinc/53/54/78/1187535478.db2.gz JYBZDZHIWNYDMF-SJORKVTESA-N 0 3 383.489 0.010 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000612595163 1187535538 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0.685 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000612599113 1187538676 /nfs/dbraw/zinc/53/86/76/1187538676.db2.gz PJMZAPITBHUXCC-HZPDHXFCSA-N 0 3 377.441 0.549 20 0 GCADHN Cc1ccc([C@@H]2COCCN2C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)o1 ZINC000612598308 1187538908 /nfs/dbraw/zinc/53/89/08/1187538908.db2.gz BQXOTPZGIDPQPQ-SJORKVTESA-N 0 3 391.468 0.857 20 0 GCADHN CN(CCN(C)c1ccccc1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612599092 1187538962 /nfs/dbraw/zinc/53/89/62/1187538962.db2.gz OQOZPTQVTYRCCJ-LJQANCHMSA-N 0 3 388.512 0.951 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000612600422 1187539283 /nfs/dbraw/zinc/53/92/83/1187539283.db2.gz HUKPYDMFPOARGN-KRWDZBQOSA-N 0 3 390.484 0.293 20 0 GCADHN CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612601656 1187540108 /nfs/dbraw/zinc/54/01/08/1187540108.db2.gz RXIZCHKOOMYOQH-INIZCTEOSA-N 0 3 389.452 0.743 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612613202 1187540769 /nfs/dbraw/zinc/54/07/69/1187540769.db2.gz NAMLJTZIYUPHLK-CVEARBPZSA-N 0 3 396.532 0.319 20 0 GCADHN C[C@@H](O)C1(NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000658813120 1187541411 /nfs/dbraw/zinc/54/14/11/1187541411.db2.gz MDGZVQSEEZGGBJ-LLVKDONJSA-N 0 3 376.413 0.124 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1)N1CCC[C@@H](C)C1 ZINC000612614346 1187541598 /nfs/dbraw/zinc/54/15/98/1187541598.db2.gz OOJWFTBCOJDRMQ-OWCLPIDISA-N 0 3 380.533 0.986 20 0 GCADHN Cn1cc(-c2ncc(CNCCN3CCN(c4ncccn4)CC3)cn2)cn1 ZINC000376018593 1187547969 /nfs/dbraw/zinc/54/79/69/1187547969.db2.gz JUSLASPEOQNERV-UHFFFAOYSA-N 0 3 379.472 0.579 20 0 GCADHN CCN1CC[C@@H](NC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)NCCOC)C2)C1 ZINC000413869962 1187553036 /nfs/dbraw/zinc/55/30/36/1187553036.db2.gz ZKQOUUNZOGNFOX-LSDHHAIUSA-N 0 3 392.504 0.769 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CCN(CC)C2)CCN1CCOC ZINC000658821213 1187553617 /nfs/dbraw/zinc/55/36/17/1187553617.db2.gz KDECBVSFKPRFIS-MSOLQXFVSA-N 0 3 382.549 0.888 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)C1 ZINC000413904692 1187576845 /nfs/dbraw/zinc/57/68/45/1187576845.db2.gz PWCVMCAADBUMGE-PKOBYXMFSA-N 0 3 389.496 0.748 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000612784095 1187583486 /nfs/dbraw/zinc/58/34/86/1187583486.db2.gz JJWFPZSUMYQWJE-ZBFHGGJFSA-N 0 3 395.529 0.639 20 0 GCADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1CC1 ZINC000612844511 1187603706 /nfs/dbraw/zinc/60/37/06/1187603706.db2.gz YMZCTDAYIRBLAN-INIZCTEOSA-N 0 3 376.505 0.967 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)CC1 ZINC000376125729 1187620291 /nfs/dbraw/zinc/62/02/91/1187620291.db2.gz DJUUQPWMTKHNBK-DLBZAZTESA-N 0 3 380.514 0.377 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000685830489 1187637474 /nfs/dbraw/zinc/63/74/74/1187637474.db2.gz KVCPCUVOTWLUTH-NVXWUHKLSA-N 0 3 393.532 0.787 20 0 GCADHN O=C(CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)NCC[NH+]1CCCCCC1 ZINC000431720207 1187642460 /nfs/dbraw/zinc/64/24/60/1187642460.db2.gz VYFGGWODNRLBBQ-UHFFFAOYSA-N 0 3 387.440 0.684 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000601142194 1187643028 /nfs/dbraw/zinc/64/30/28/1187643028.db2.gz NEZJAIQFJZOSCT-UHFFFAOYSA-N 0 3 380.493 0.329 20 0 GCADHN NC(=O)c1cc(N2CCN(C3CCC3)CC2)nc(N2CCN(C3CCC3)CC2)n1 ZINC000892517410 1187650935 /nfs/dbraw/zinc/65/09/35/1187650935.db2.gz JNPMQBAYEYJJFZ-UHFFFAOYSA-N 0 3 399.543 0.925 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]2C2CCCC2)CC1 ZINC000658865691 1187666240 /nfs/dbraw/zinc/66/62/40/1187666240.db2.gz NZJDYMUBFUETHJ-SFHVURJKSA-N 0 3 390.528 0.934 20 0 GCADHN C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644914424 1187666943 /nfs/dbraw/zinc/66/69/43/1187666943.db2.gz WYJUWBYWHDYKAK-RYQLBKOJSA-N 0 3 384.480 0.456 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000670786434 1187677769 /nfs/dbraw/zinc/67/77/69/1187677769.db2.gz BJBDRTSPFUHFCU-MRXNPFEDSA-N 0 3 388.516 0.002 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)c2)CC1 ZINC000613178983 1187692415 /nfs/dbraw/zinc/69/24/15/1187692415.db2.gz YILPDHARRUNQPB-GUDVDZBRSA-N 0 3 375.469 0.568 20 0 GCADHN C[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000472533984 1187713708 /nfs/dbraw/zinc/71/37/08/1187713708.db2.gz GELHRTXOYDTSJE-SUMWQHHRSA-N 0 3 388.468 0.304 20 0 GCADHN COCCN1CCC(NC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000376255519 1187726473 /nfs/dbraw/zinc/72/64/73/1187726473.db2.gz QHMZVEXVOCRSRK-OAHLLOKOSA-N 0 3 388.534 0.353 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1O)N1CCCC1 ZINC001025000206 1187741662 /nfs/dbraw/zinc/74/16/62/1187741662.db2.gz CFUHZUDRWJKPFD-RRCSTGOVSA-N 0 3 375.473 0.076 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1O)N1CCCC1 ZINC001024999386 1187743251 /nfs/dbraw/zinc/74/32/51/1187743251.db2.gz QPPYOXHSJVPZDD-BSDSXHPESA-N 0 3 393.528 0.611 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000174141791 1187749920 /nfs/dbraw/zinc/74/99/20/1187749920.db2.gz PHTKPMHQACSQMW-MRXNPFEDSA-N 0 3 391.516 0.790 20 0 GCADHN O=C(Cn1nc2ccccn2c1=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159359136 1187753483 /nfs/dbraw/zinc/75/34/83/1187753483.db2.gz WRRZGBYNWOMHGM-QGZVFWFLSA-N 0 3 381.436 0.031 20 0 GCADHN C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@@H](C)N1CCOCC1 ZINC000376314714 1187758792 /nfs/dbraw/zinc/75/87/92/1187758792.db2.gz CVFRQPMTCNYWSY-VUCRHFMTSA-N 0 3 395.548 0.478 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000376325741 1187763769 /nfs/dbraw/zinc/76/37/69/1187763769.db2.gz SNIUATYLWVTWEU-RZQQEMMASA-N 0 3 393.532 0.629 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCn3cccn3)cc21 ZINC000174775584 1187763964 /nfs/dbraw/zinc/76/39/64/1187763964.db2.gz HPYIMXQBVWDIQD-UHFFFAOYSA-N 0 3 386.412 0.108 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000376325742 1187763987 /nfs/dbraw/zinc/76/39/87/1187763987.db2.gz SNIUATYLWVTWEU-YRNRMSPPSA-N 0 3 393.532 0.629 20 0 GCADHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1n[nH]c(=O)n1CCc1ccccc1 ZINC000414221290 1187770700 /nfs/dbraw/zinc/77/07/00/1187770700.db2.gz KKURQQZBMLRWAN-LLVKDONJSA-N 0 3 395.441 0.234 20 0 GCADHN CN1CCN(CCNC(=O)N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)CC1(C)C ZINC000332783335 1187772066 /nfs/dbraw/zinc/77/20/66/1187772066.db2.gz KQBLYDBUAHVGPK-MBOZVWFJSA-N 0 3 382.549 0.974 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]3CCC[C@H]32)CC1 ZINC000658930539 1187795318 /nfs/dbraw/zinc/79/53/18/1187795318.db2.gz HJPCCNQSUCXYPK-IAGOWNOFSA-N 0 3 376.501 0.544 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)n1 ZINC000376391532 1187809251 /nfs/dbraw/zinc/80/92/51/1187809251.db2.gz LRBPPCBUDQBPBP-UGUYLWEFSA-N 0 3 378.521 0.706 20 0 GCADHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)Nc1cc(-n2cnnn2)ccc1F ZINC000472576904 1187809796 /nfs/dbraw/zinc/80/97/96/1187809796.db2.gz AQAYQPYYTVNHQQ-CQSZACIVSA-N 0 3 389.435 0.394 20 0 GCADHN C[C@H](O)CN(C)C(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000658953266 1187814156 /nfs/dbraw/zinc/81/41/56/1187814156.db2.gz IJTARBUSBSPKMP-KRWDZBQOSA-N 0 3 376.501 0.102 20 0 GCADHN CN1CCN(S(=O)(=O)c2cccnc2-n2nc(CN)c3ccccc32)CC1 ZINC001167696785 1187822123 /nfs/dbraw/zinc/82/21/23/1187822123.db2.gz KQGOARWYXOGGFP-UHFFFAOYSA-N 0 3 386.481 0.815 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1 ZINC000376420597 1187829689 /nfs/dbraw/zinc/82/96/89/1187829689.db2.gz LMXLWOFPGVEYJB-OAHLLOKOSA-N 0 3 394.426 0.796 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)CC2)C[C@@H](C)O1 ZINC000658987291 1187831303 /nfs/dbraw/zinc/83/13/03/1187831303.db2.gz VVCVPELKYSDRRK-PTGCCPEKSA-N 0 3 393.528 0.564 20 0 GCADHN COc1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1-n1nnnc1C ZINC000658991981 1187832792 /nfs/dbraw/zinc/83/27/92/1187832792.db2.gz YOHXDFMGFRXHKZ-UHFFFAOYSA-N 0 3 385.388 0.255 20 0 GCADHN N[C@@H]1CN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC[C@H]1F ZINC000658997015 1187836840 /nfs/dbraw/zinc/83/68/40/1187836840.db2.gz DODVJYLCDGEJAN-ZIAGYGMSSA-N 0 3 380.420 0.827 20 0 GCADHN CS(=O)(=O)N1CCc2c1cccc2NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659008377 1187840194 /nfs/dbraw/zinc/84/01/94/1187840194.db2.gz FEIJQFIMTVBOBQ-UHFFFAOYSA-N 0 3 392.441 0.285 20 0 GCADHN NC(=O)c1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(OCC(F)F)c1 ZINC000659015005 1187843399 /nfs/dbraw/zinc/84/33/99/1187843399.db2.gz ZWCAGPFSQJWGDF-UHFFFAOYSA-N 0 3 396.354 0.705 20 0 GCADHN CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000659038122 1187848716 /nfs/dbraw/zinc/84/87/16/1187848716.db2.gz LEZWWVSLWDRYCI-UHFFFAOYSA-N 0 3 395.548 0.972 20 0 GCADHN Cc1nccnc1N1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000659038098 1187848875 /nfs/dbraw/zinc/84/88/75/1187848875.db2.gz GOHFDSOKQSZSRO-UHFFFAOYSA-N 0 3 388.516 0.766 20 0 GCADHN CN1CCN(CCNC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1(C)C ZINC000376457053 1187850766 /nfs/dbraw/zinc/85/07/66/1187850766.db2.gz ZLIARNHQPHHSOK-KRWDZBQOSA-N 0 3 394.564 0.992 20 0 GCADHN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659079913 1187869911 /nfs/dbraw/zinc/86/99/11/1187869911.db2.gz OYRVDFQWTCOHKE-IRXDYDNUSA-N 0 3 388.468 0.803 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCO[C@H](c2ccnn2C)C1 ZINC000892648141 1187876192 /nfs/dbraw/zinc/87/61/92/1187876192.db2.gz COPXHWBVSLZCBF-IRXDYDNUSA-N 0 3 392.504 0.446 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2=O)n1 ZINC000376482639 1187876797 /nfs/dbraw/zinc/87/67/97/1187876797.db2.gz CBPKHQXDTPANBT-ILXRZTDVSA-N 0 3 376.461 0.078 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCOC12CCOCC2 ZINC000892649423 1187879384 /nfs/dbraw/zinc/87/93/84/1187879384.db2.gz PAASMTXRYXALFT-JKSUJKDBSA-N 0 3 382.505 0.566 20 0 GCADHN O=C(NCCCN1C(=O)COc2ccccc21)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000376485057 1187879725 /nfs/dbraw/zinc/87/97/25/1187879725.db2.gz PLAVLEYJIJAMOR-JKSUJKDBSA-N 0 3 388.468 0.965 20 0 GCADHN O=C(NCCCN1C(=O)COc2ccccc21)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000376485056 1187879988 /nfs/dbraw/zinc/87/99/88/1187879988.db2.gz PLAVLEYJIJAMOR-HZPDHXFCSA-N 0 3 388.468 0.965 20 0 GCADHN COc1cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc(OC)c1C ZINC000659111017 1187885432 /nfs/dbraw/zinc/88/54/32/1187885432.db2.gz WWGSSOZPJGOZNJ-UHFFFAOYSA-N 0 3 375.385 0.221 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccc(OC3CCC3)c(F)c2)n1 ZINC000659110372 1187887404 /nfs/dbraw/zinc/88/74/04/1187887404.db2.gz DOPBHQWBDAQGAR-UHFFFAOYSA-N 0 3 389.387 0.966 20 0 GCADHN COc1cc(Cl)c(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1C ZINC000659110334 1187887541 /nfs/dbraw/zinc/88/75/41/1187887541.db2.gz BWBNQGBQMJFNLN-UHFFFAOYSA-N 0 3 379.804 0.866 20 0 GCADHN COc1ccc(OC(C)C)c(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659110349 1187887591 /nfs/dbraw/zinc/88/75/91/1187887591.db2.gz COXLAXIQHKMSTO-UHFFFAOYSA-N 0 3 389.412 0.692 20 0 GCADHN CN(C)Cc1cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccc1Cl ZINC000659110384 1187887730 /nfs/dbraw/zinc/88/77/30/1187887730.db2.gz FQXWONDKGIOMEX-UHFFFAOYSA-N 0 3 392.847 0.611 20 0 GCADHN CCOc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC2)nn1 ZINC000659111827 1187888361 /nfs/dbraw/zinc/88/83/61/1187888361.db2.gz KCDOPVTZBJRVJX-UHFFFAOYSA-N 0 3 396.451 0.766 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@H]2CCN(C)C2)CCN1CCOC ZINC000647567480 1187895086 /nfs/dbraw/zinc/89/50/86/1187895086.db2.gz VZMHUUXRBDQYHF-MSOLQXFVSA-N 0 3 382.549 0.888 20 0 GCADHN CN(C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCc3n[nH]nc32)c1 ZINC000613539529 1187895426 /nfs/dbraw/zinc/89/54/26/1187895426.db2.gz ZOWYEBZCKKAGTF-AWEZNQCLSA-N 0 3 392.485 0.703 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)oc1C ZINC000431831286 1187898869 /nfs/dbraw/zinc/89/88/69/1187898869.db2.gz FRIXDUANWMEVBH-LBPRGKRZSA-N 0 3 387.458 0.240 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-]CCC[N@H+]2CCC[C@H](C(N)=O)C2)oc1C ZINC000431831286 1187898874 /nfs/dbraw/zinc/89/88/74/1187898874.db2.gz FRIXDUANWMEVBH-LBPRGKRZSA-N 0 3 387.458 0.240 20 0 GCADHN CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)n1 ZINC000659159730 1187904280 /nfs/dbraw/zinc/90/42/80/1187904280.db2.gz YYFXVOITIKORGB-HUUCEWRRSA-N 0 3 390.488 0.538 20 0 GCADHN O=C(C(=O)N1CCn2c(nnc2-c2ccccc2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000659159199 1187904300 /nfs/dbraw/zinc/90/43/00/1187904300.db2.gz BAJGOQUCFUIWEG-QGZVFWFLSA-N 0 3 394.479 0.984 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C2CCC2)CC1 ZINC000659168883 1187906126 /nfs/dbraw/zinc/90/61/26/1187906126.db2.gz IHQWKYXEKZKTRF-SJORKVTESA-N 0 3 376.501 0.543 20 0 GCADHN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000376539906 1187915667 /nfs/dbraw/zinc/91/56/67/1187915667.db2.gz MYSQDRYVAGFXOD-INIZCTEOSA-N 0 3 388.468 0.635 20 0 GCADHN CCn1c(N)c(C(=O)CN2CCN(C3CCC(C)CC3)CC2)c(=O)[nH]c1=O ZINC000115566283 1187922619 /nfs/dbraw/zinc/92/26/19/1187922619.db2.gz LGYLWEDEJUGRJB-UHFFFAOYSA-N 0 3 377.489 0.518 20 0 GCADHN CS(=O)(=O)NCCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000659270745 1187923234 /nfs/dbraw/zinc/92/32/34/1187923234.db2.gz MYWMKAMYHAUCTH-SFHVURJKSA-N 0 3 391.493 0.801 20 0 GCADHN O=C(CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)N1CCc2ccccc2C1 ZINC000892674783 1187923745 /nfs/dbraw/zinc/92/37/45/1187923745.db2.gz YIFSHSCOHCYEHM-OALUTQOASA-N 0 3 386.496 0.812 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCCO[C@H](C)C3)CC2)C[C@@H](C)O1 ZINC000659299527 1187927629 /nfs/dbraw/zinc/92/76/29/1187927629.db2.gz WBUKIKPXFPDYAV-BRWVUGGUSA-N 0 3 381.517 0.972 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCN(Cc4cscn4)CC3)C[C@@H]21 ZINC000659316099 1187943426 /nfs/dbraw/zinc/94/34/26/1187943426.db2.gz VECDQSMDOQOGQJ-ZBFHGGJFSA-N 0 3 377.514 0.340 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)n1 ZINC000659466333 1187961491 /nfs/dbraw/zinc/96/14/91/1187961491.db2.gz XYEHMXAHXRJQNE-INIZCTEOSA-N 0 3 398.467 0.674 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)n1 ZINC000659461286 1187961701 /nfs/dbraw/zinc/96/17/01/1187961701.db2.gz GUJOJNGTVLPAQY-OWCLPIDISA-N 0 3 396.451 0.597 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659473905 1187963538 /nfs/dbraw/zinc/96/35/38/1187963538.db2.gz WYQTZMJDCBQMNS-GFCCVEGCSA-N 0 3 393.469 0.693 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)n1 ZINC000659492013 1187965506 /nfs/dbraw/zinc/96/55/06/1187965506.db2.gz PWOTXHUNXHZQNE-CYBMUJFWSA-N 0 3 385.428 0.747 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@]3(C2)OCc2ccccc23)CCO1 ZINC000659521477 1187968162 /nfs/dbraw/zinc/96/81/62/1187968162.db2.gz MUAHTIJAUIQDAJ-LAUBAEHRSA-N 0 3 387.480 0.824 20 0 GCADHN CCn1ccnc1CNCC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001104673396 1187975401 /nfs/dbraw/zinc/97/54/01/1187975401.db2.gz XBFJGWKDIFLEEA-LVQVYYBASA-N 0 3 377.489 0.510 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cncc(N3CCOCC3)c2)CC1 ZINC000408005473 1187976101 /nfs/dbraw/zinc/97/61/01/1187976101.db2.gz SNJKYBZQLSZRKI-SFHVURJKSA-N 0 3 387.484 0.297 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CCNCc1nccn1C ZINC001104675415 1187976113 /nfs/dbraw/zinc/97/61/13/1187976113.db2.gz VOPFUTBZASVLLS-WCXIOVBPSA-N 0 3 391.516 0.630 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@H](Oc3ncccc3F)C2)n1 ZINC000659629390 1187977711 /nfs/dbraw/zinc/97/77/11/1187977711.db2.gz GDVDZOOOJIGIQK-LBPRGKRZSA-N 0 3 376.392 0.928 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)n1 ZINC000659629138 1187977805 /nfs/dbraw/zinc/97/78/05/1187977805.db2.gz NHPDJFGYSYPZHS-TXEJJXNPSA-N 0 3 393.350 0.653 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)n1 ZINC000659629979 1187978512 /nfs/dbraw/zinc/97/85/12/1187978512.db2.gz KBECDNJMOPQXHC-JTQLQIEISA-N 0 3 399.373 0.709 20 0 GCADHN Cc1nc(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)sc1C ZINC000659631296 1187978559 /nfs/dbraw/zinc/97/85/59/1187978559.db2.gz UMLXBNZTRDWRHD-UHFFFAOYSA-N 0 3 377.474 0.746 20 0 GCADHN NC(=O)c1ccc(CN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C2CC2)c(F)c1 ZINC000659630276 1187978630 /nfs/dbraw/zinc/97/86/30/1187978630.db2.gz NNGRHGDGRBHRNH-UHFFFAOYSA-N 0 3 388.403 0.753 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)n1 ZINC000659633770 1187979803 /nfs/dbraw/zinc/97/98/03/1187979803.db2.gz YAUDSEJBIDAOOK-UHFFFAOYSA-N 0 3 390.488 0.965 20 0 GCADHN COc1cncc(CNCC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2C)n1 ZINC001104685671 1187983772 /nfs/dbraw/zinc/98/37/72/1187983772.db2.gz OONODUOUGPAMGD-LVQVYYBASA-N 0 3 389.500 0.961 20 0 GCADHN Cc1cc(NC(=O)CNCC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C)no1 ZINC001104686533 1187984236 /nfs/dbraw/zinc/98/42/36/1187984236.db2.gz HEXGTXFXZIISST-ZRJCITRHSA-N 0 3 377.445 0.117 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1CCNCC(=O)Nc1ccon1 ZINC001104690098 1187991271 /nfs/dbraw/zinc/99/12/71/1187991271.db2.gz KORZDRBIJKQKTL-TUVASFSCSA-N 0 3 391.472 0.412 20 0 GCADHN COCCC1(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCCCC1 ZINC000659672799 1187991513 /nfs/dbraw/zinc/99/15/13/1187991513.db2.gz BYNXEZPCVJNBHK-UHFFFAOYSA-N 0 3 379.461 0.360 20 0 GCADHN CC[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1ccccc1F ZINC000659678965 1187992578 /nfs/dbraw/zinc/99/25/78/1187992578.db2.gz AZJIRDZYNJDKIN-GFCCVEGCSA-N 0 3 391.403 0.370 20 0 GCADHN Cc1ccc(OC(F)F)c(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659679495 1187992731 /nfs/dbraw/zinc/99/27/31/1187992731.db2.gz JPNNZCUOOSUJEX-UHFFFAOYSA-N 0 3 395.366 0.483 20 0 GCADHN CN(CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1F ZINC000659679770 1187993064 /nfs/dbraw/zinc/99/30/64/1187993064.db2.gz CZYDTCWLSJLBRV-UHFFFAOYSA-N 0 3 390.419 0.039 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000659674224 1187993626 /nfs/dbraw/zinc/99/36/26/1187993626.db2.gz RDWFQDNKQKOHTJ-XJKSGUPXSA-N 0 3 399.451 0.541 20 0 GCADHN Cc1[nH]c2ccc(CNC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)cc2c1C ZINC000659687332 1187997556 /nfs/dbraw/zinc/99/75/56/1187997556.db2.gz TZLOZYPBFAPUPI-UHFFFAOYSA-N 0 3 382.424 0.672 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccccc2C(F)(F)F)n1 ZINC000659688387 1187998052 /nfs/dbraw/zinc/99/80/52/1187998052.db2.gz WFVDETKXQMINDT-UHFFFAOYSA-N 0 3 383.330 0.592 20 0 GCADHN COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659682169 1187998686 /nfs/dbraw/zinc/99/86/86/1187998686.db2.gz UUKVXWPOIOLSBV-SNVBAGLBSA-N 0 3 389.412 0.152 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccc(C(F)(F)F)cc2)n1 ZINC000659683520 1187998746 /nfs/dbraw/zinc/99/87/46/1187998746.db2.gz TWWFFUOVEJYLSZ-UHFFFAOYSA-N 0 3 383.330 0.592 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000659690953 1187999955 /nfs/dbraw/zinc/99/99/55/1187999955.db2.gz KUZIKSMGSCIUPF-PBHICJAKSA-N 0 3 385.424 0.294 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2c(F)cccc2OC(F)F)n1 ZINC000659691164 1188000389 /nfs/dbraw/zinc/00/03/89/1188000389.db2.gz TWGLPZXBSGJKCV-UHFFFAOYSA-N 0 3 399.329 0.314 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H]2CCCN(c3ccccc3)C2)n1 ZINC000659706164 1188002433 /nfs/dbraw/zinc/00/24/33/1188002433.db2.gz FFMFLPLRFGWTGB-CQSZACIVSA-N 0 3 398.467 0.290 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Sc1ccccc1 ZINC000659701416 1188004933 /nfs/dbraw/zinc/00/49/33/1188004933.db2.gz GENWLHLMXNYXPF-NSHDSACASA-N 0 3 375.454 0.554 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)[C@H]1OC ZINC000659701012 1188005259 /nfs/dbraw/zinc/00/52/59/1188005259.db2.gz BADRBKAJFLLKKU-VCTAVGKDSA-N 0 3 379.461 0.213 20 0 GCADHN Cc1ccc(SC[C@@H](C)NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659703590 1188005589 /nfs/dbraw/zinc/00/55/89/1188005589.db2.gz APKOIGGVTGHQBE-GFCCVEGCSA-N 0 3 389.481 0.863 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1cccc(OC)c1 ZINC000659717184 1188006860 /nfs/dbraw/zinc/00/68/60/1188006860.db2.gz FRGSSNLHIZENSQ-MAZHCROVSA-N 0 3 379.457 0.728 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000659719261 1188007202 /nfs/dbraw/zinc/00/72/02/1188007202.db2.gz GIJFEUUXTRLDRT-PMACEKPBSA-N 0 3 396.491 0.889 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)n1 ZINC000659709160 1188007580 /nfs/dbraw/zinc/00/75/80/1188007580.db2.gz GCPFXXLQRGTGBE-UHFFFAOYSA-N 0 3 397.357 0.635 20 0 GCADHN O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000659728396 1188011688 /nfs/dbraw/zinc/01/16/88/1188011688.db2.gz NQGYVVWAQMSABE-KBPBESRZSA-N 0 3 380.876 0.387 20 0 GCADHN O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)C(=O)NC[C@H]1CNCCO1 ZINC000659728402 1188011999 /nfs/dbraw/zinc/01/19/99/1188011999.db2.gz NQGYVVWAQMSABE-ZIAGYGMSSA-N 0 3 380.876 0.387 20 0 GCADHN CCOc1ncccc1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000376694726 1188017514 /nfs/dbraw/zinc/01/75/14/1188017514.db2.gz OBZUHFGBMXAZCS-MRXNPFEDSA-N 0 3 375.473 0.928 20 0 GCADHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415312197 1188029223 /nfs/dbraw/zinc/02/92/23/1188029223.db2.gz CBLGIWAEMMGUTJ-ZDUSSCGKSA-N 0 3 382.486 0.524 20 0 GCADHN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCNCC2)cc1 ZINC000415315248 1188031332 /nfs/dbraw/zinc/03/13/32/1188031332.db2.gz YXCGBSGYUAGXAE-UHFFFAOYSA-N 0 3 396.513 0.868 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCCNCC2)ccc1C ZINC000415317943 1188033197 /nfs/dbraw/zinc/03/31/97/1188033197.db2.gz MFKACFLZKPSHRU-UHFFFAOYSA-N 0 3 396.513 0.786 20 0 GCADHN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCNCC2)cc1 ZINC000415320958 1188036823 /nfs/dbraw/zinc/03/68/23/1188036823.db2.gz QRLLTOALMKVMIJ-UHFFFAOYSA-N 0 3 380.470 0.230 20 0 GCADHN Cc1oc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1S(=O)(=O)N1CCCC1 ZINC000377482313 1188037805 /nfs/dbraw/zinc/03/78/05/1188037805.db2.gz VBRMERLAIKFTFG-CABCVRRESA-N 0 3 397.497 0.966 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000377481309 1188037920 /nfs/dbraw/zinc/03/79/20/1188037920.db2.gz IRENZOFJOFHSMN-HZPDHXFCSA-N 0 3 397.497 0.204 20 0 GCADHN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CNCCO1 ZINC000415342303 1188056399 /nfs/dbraw/zinc/05/63/99/1188056399.db2.gz QJZGILBOWVQATQ-AWEZNQCLSA-N 0 3 378.429 0.420 20 0 GCADHN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909323055 1188057850 /nfs/dbraw/zinc/05/78/50/1188057850.db2.gz HHNWHZCYQHQNAD-UBYXTUIOSA-N 0 3 396.557 0.963 20 0 GCADHN Cc1c(CC(=O)NCC(=O)NCCN2CCCCC2)nnn1-c1ccccc1 ZINC000909323090 1188058336 /nfs/dbraw/zinc/05/83/36/1188058336.db2.gz IHWWXHMBKPYCCJ-UHFFFAOYSA-N 0 3 384.484 0.837 20 0 GCADHN C[C@@H](CNC(=O)NCCc1nnnn1-c1ccccc1)CN1CCN(C)CC1 ZINC000511524984 1188067208 /nfs/dbraw/zinc/06/72/08/1188067208.db2.gz YMMWZEYIVGGUBH-INIZCTEOSA-N 0 3 386.504 0.388 20 0 GCADHN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000377552959 1188071499 /nfs/dbraw/zinc/07/14/99/1188071499.db2.gz LGCBSYNWAFZOPO-GUYCJALGSA-N 0 3 387.484 0.527 20 0 GCADHN Cn1c(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc(=O)n(C)c1=O ZINC000328604642 1188073110 /nfs/dbraw/zinc/07/31/10/1188073110.db2.gz KMLRGKGVBIBIRF-JLTOFOAXSA-N 0 3 385.468 0.973 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)CCN1 ZINC000415424053 1188075419 /nfs/dbraw/zinc/07/54/19/1188075419.db2.gz AETURBFTLDMATH-INIZCTEOSA-N 0 3 399.495 0.732 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)CCN1 ZINC000415424056 1188075605 /nfs/dbraw/zinc/07/56/05/1188075605.db2.gz AETURBFTLDMATH-MRXNPFEDSA-N 0 3 399.495 0.732 20 0 GCADHN COCCN1CC[C@H](NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1 ZINC000377586332 1188082100 /nfs/dbraw/zinc/08/21/00/1188082100.db2.gz UROPIUSOUOZHDO-SIFCLUCFSA-N 0 3 394.516 0.960 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)C1 ZINC000377587479 1188082556 /nfs/dbraw/zinc/08/25/56/1188082556.db2.gz XLVAQVAKLIDGNT-OAHLLOKOSA-N 0 3 384.436 0.461 20 0 GCADHN CC(=O)Nc1ccc(OC[C@H](O)CN[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000644582079 1188089730 /nfs/dbraw/zinc/08/97/30/1188089730.db2.gz WBNZORZXPLCIGI-MJGOQNOKSA-N 0 3 391.468 0.754 20 0 GCADHN COc1nccc(CNC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1F ZINC000893033048 1188109205 /nfs/dbraw/zinc/10/92/05/1188109205.db2.gz ZCXLFIBHPVQFQP-UHFFFAOYSA-N 0 3 383.449 0.906 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000377728372 1188118557 /nfs/dbraw/zinc/11/85/57/1188118557.db2.gz NMQLCXINFDNBAK-OLZOCXBDSA-N 0 3 390.465 0.649 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)NCC1(N2CCOCC2)CC1 ZINC000460674431 1188128798 /nfs/dbraw/zinc/12/87/98/1188128798.db2.gz WBDOCOZGYAYYOH-UHFFFAOYSA-N 0 3 381.565 0.910 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377756172 1188132352 /nfs/dbraw/zinc/13/23/52/1188132352.db2.gz PGQOWKHKSDVERK-WFASDCNBSA-N 0 3 384.502 0.806 20 0 GCADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377769166 1188133240 /nfs/dbraw/zinc/13/32/40/1188133240.db2.gz AIDNDGXEZSOKGU-CVEARBPZSA-N 0 3 395.481 0.147 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000415679682 1188140955 /nfs/dbraw/zinc/14/09/55/1188140955.db2.gz QEADVENITFYWGM-SMDDNHRTSA-N 0 3 377.445 0.397 20 0 GCADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000415704191 1188144535 /nfs/dbraw/zinc/14/45/35/1188144535.db2.gz GIQKOMAXAYWSCV-SFHVURJKSA-N 0 3 391.435 0.912 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000415713655 1188147902 /nfs/dbraw/zinc/14/79/02/1188147902.db2.gz SJFPQDMVNGVPRD-CQSZACIVSA-N 0 3 384.440 0.493 20 0 GCADHN COC(=O)COc1ccc([C@@H](C)NCCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000467197319 1188161267 /nfs/dbraw/zinc/16/12/67/1188161267.db2.gz SLINHRQKSZEZNC-CYBMUJFWSA-N 0 3 396.469 0.601 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000472905422 1189373714 /nfs/dbraw/zinc/37/37/14/1189373714.db2.gz WBCUGACFUOWSRE-OAHLLOKOSA-N 0 3 397.545 0.883 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000377939616 1189379358 /nfs/dbraw/zinc/37/93/58/1189379358.db2.gz JWQZVIYIPCELJX-IBGZPJMESA-N 0 3 380.489 0.713 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000415863003 1189385826 /nfs/dbraw/zinc/38/58/26/1189385826.db2.gz LFIZCBUFJNVLMF-AWEZNQCLSA-N 0 3 377.832 0.628 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000415858405 1189387426 /nfs/dbraw/zinc/38/74/26/1189387426.db2.gz FDHOPYBUKOPVNT-CYBMUJFWSA-N 0 3 397.357 0.934 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000415857528 1189387468 /nfs/dbraw/zinc/38/74/68/1189387468.db2.gz CVXSPZDKROEYDV-JTQLQIEISA-N 0 3 379.310 0.810 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000415866639 1189388409 /nfs/dbraw/zinc/38/84/09/1189388409.db2.gz OHCLTTDXHQWUBA-SNVBAGLBSA-N 0 3 379.310 0.810 20 0 GCADHN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415868155 1189389284 /nfs/dbraw/zinc/38/92/84/1189389284.db2.gz QAIIEHURMGDMQE-YPMHNXCESA-N 0 3 385.848 0.797 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000415869990 1189389680 /nfs/dbraw/zinc/38/96/80/1189389680.db2.gz RWXSFTGUYZDWMX-LLVKDONJSA-N 0 3 398.250 1.222 20 0 GCADHN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)C(=O)N1CCOC2(CNC2)C1 ZINC000415876272 1189392360 /nfs/dbraw/zinc/39/23/60/1189392360.db2.gz CHZFMJAAPDHUPZ-OAHLLOKOSA-N 0 3 383.452 0.940 20 0 GCADHN CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415871487 1189393972 /nfs/dbraw/zinc/39/39/72/1189393972.db2.gz VEPJWYFCAKVWHP-LLVKDONJSA-N 0 3 381.454 0.845 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000247079903 1189401439 /nfs/dbraw/zinc/40/14/39/1189401439.db2.gz NMTVLKVVZPYSDC-QWHCGFSZSA-N 0 3 390.406 0.162 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCC1 ZINC000041307540 1189429269 /nfs/dbraw/zinc/42/92/69/1189429269.db2.gz PQCFKVCWVVFQQU-HNNXBMFYSA-N 0 3 381.498 0.922 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000378179496 1189435940 /nfs/dbraw/zinc/43/59/40/1189435940.db2.gz JKEZAFIOWULEMR-QGZVFWFLSA-N 0 3 387.484 0.353 20 0 GCADHN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000416116523 1189436486 /nfs/dbraw/zinc/43/64/86/1189436486.db2.gz WXNXGFZXKXXRQV-HNNXBMFYSA-N 0 3 381.473 0.302 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000511537826 1189437893 /nfs/dbraw/zinc/43/78/93/1189437893.db2.gz IGAZGYKTADYVRU-OAGGEKHMSA-N 0 3 379.505 0.382 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@@H]2CCCC[C@H]21 ZINC000659903267 1189439392 /nfs/dbraw/zinc/43/93/92/1189439392.db2.gz XBQXJJMVUWSBMX-FGTMMUONSA-N 0 3 390.528 0.790 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCCn3cncn3)cc2)CC1 ZINC000041416254 1189440309 /nfs/dbraw/zinc/44/03/09/1189440309.db2.gz YMAYEUZARQOTMG-UHFFFAOYSA-N 0 3 399.499 0.561 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@H]2CCCC[C@H]12 ZINC000659908518 1189444521 /nfs/dbraw/zinc/44/45/21/1189444521.db2.gz IZYMSBSKEAQGIT-BDXSIMOUSA-N 0 3 390.528 0.789 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)c1 ZINC000041598493 1189452576 /nfs/dbraw/zinc/45/25/76/1189452576.db2.gz BSFSBHILPWKRRM-AWEZNQCLSA-N 0 3 376.457 0.741 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(NC(C)=O)ccc2F)CC1 ZINC000041640702 1189455185 /nfs/dbraw/zinc/45/51/85/1189455185.db2.gz XJKLQYSLLJEURX-CYBMUJFWSA-N 0 3 393.463 0.865 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(C(=O)NC)c2C)CC1 ZINC000041640944 1189455496 /nfs/dbraw/zinc/45/54/96/1189455496.db2.gz FTHZJVFXIIQITA-CQSZACIVSA-N 0 3 389.500 0.435 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)NC)cc2)CC1 ZINC000041641106 1189455583 /nfs/dbraw/zinc/45/55/83/1189455583.db2.gz IEDCNIAAFHYFJU-CQSZACIVSA-N 0 3 375.473 0.127 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000041718348 1189457692 /nfs/dbraw/zinc/45/76/92/1189457692.db2.gz MMZTXORVQVUHPB-UHFFFAOYSA-N 0 3 394.472 0.405 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000041720778 1189457727 /nfs/dbraw/zinc/45/77/27/1189457727.db2.gz BVUXQYGNQBSRRM-UHFFFAOYSA-N 0 3 390.484 0.930 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 ZINC000041718925 1189457855 /nfs/dbraw/zinc/45/78/55/1189457855.db2.gz HMPJGNZSGCZFLS-UHFFFAOYSA-N 0 3 391.472 0.346 20 0 GCADHN O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)[C@H]1CN2CCN1CCC2 ZINC000378302990 1189469296 /nfs/dbraw/zinc/46/92/96/1189469296.db2.gz CXDYGDUEWYGNLG-OAHLLOKOSA-N 0 3 380.470 0.261 20 0 GCADHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)C1 ZINC000378304716 1189470404 /nfs/dbraw/zinc/47/04/04/1189470404.db2.gz ICADSIUWQNOMNQ-UONOGXRCSA-N 0 3 396.451 0.509 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000378309189 1189471817 /nfs/dbraw/zinc/47/18/17/1189471817.db2.gz DZNRTVDLOUZJFM-GOSISDBHSA-N 0 3 394.541 0.722 20 0 GCADHN COC(=O)C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(OC)c(OC)c1 ZINC000378318749 1189473578 /nfs/dbraw/zinc/47/35/78/1189473578.db2.gz ZDJMANFICVGQMP-HOTGVXAUSA-N 0 3 391.468 0.814 20 0 GCADHN COC(=O)C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1ccc(OC)c(OC)c1 ZINC000378318752 1189474149 /nfs/dbraw/zinc/47/41/49/1189474149.db2.gz ZDJMANFICVGQMP-HZPDHXFCSA-N 0 3 391.468 0.814 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)C1 ZINC000659964434 1189488690 /nfs/dbraw/zinc/48/86/90/1189488690.db2.gz PWGCMYAKATYHMG-RBUKOAKNSA-N 0 3 386.496 0.262 20 0 GCADHN Cn1cc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)C2)cn1 ZINC000893218446 1189493407 /nfs/dbraw/zinc/49/34/07/1189493407.db2.gz BXQFVQGNUJSPJR-CGTJXYLNSA-N 0 3 376.505 0.630 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCCC(N)=O)cc2)CC1 ZINC000042044322 1189505544 /nfs/dbraw/zinc/50/55/44/1189505544.db2.gz BFVHQXYADNODFA-UHFFFAOYSA-N 0 3 375.473 0.144 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCO[C@@H](c3ccnn3C)C2)CC1 ZINC000893238531 1189508014 /nfs/dbraw/zinc/50/80/14/1189508014.db2.gz NMYIRQZJXSPBPK-FUHWJXTLSA-N 0 3 378.521 0.777 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CC(n3cc(C(C)=O)nn3)C2)CC1 ZINC000893238998 1189509775 /nfs/dbraw/zinc/50/97/75/1189509775.db2.gz QDPHOSMKLCYFOE-CQSZACIVSA-N 0 3 377.493 0.321 20 0 GCADHN C[NH+](C)C1CCN(CC[N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1 ZINC000416419165 1189514753 /nfs/dbraw/zinc/51/47/53/1189514753.db2.gz UAGZPZKUIUGUDD-UHFFFAOYSA-N 0 3 386.449 0.565 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000416434102 1189517079 /nfs/dbraw/zinc/51/70/79/1189517079.db2.gz SLUFPDZWKXGUIS-AWEZNQCLSA-N 0 3 394.453 0.461 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(OC)cc2CC(=O)OC)CC1 ZINC000416470574 1189527123 /nfs/dbraw/zinc/52/71/23/1189527123.db2.gz HSSXVOJXHDROOX-UHFFFAOYSA-N 0 3 399.513 0.327 20 0 GCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000974125211 1189556824 /nfs/dbraw/zinc/55/68/24/1189556824.db2.gz DUUDGXBDWNTGIZ-KHHDSSOXSA-N 0 3 379.501 0.674 20 0 GCADHN Cn1c2ncn(CCN3CC[C@H](Oc4ccc(F)cc4)C3)c2c(=O)n(C)c1=O ZINC000378642569 1189559260 /nfs/dbraw/zinc/55/92/60/1189559260.db2.gz GOOFPKVMDKXWGC-HNNXBMFYSA-N 0 3 387.415 0.726 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c(N(C)C)c1 ZINC000584576091 1189560338 /nfs/dbraw/zinc/56/03/38/1189560338.db2.gz CNPWGADEXNGIST-CYBMUJFWSA-N 0 3 376.457 0.936 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CC2)C[C@@H](C)O1 ZINC000363914306 1189573361 /nfs/dbraw/zinc/57/33/61/1189573361.db2.gz QXUDUCACKYUHFU-LMSBXDPUSA-N 0 3 396.532 0.940 20 0 GCADHN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152992949 1189575083 /nfs/dbraw/zinc/57/50/83/1189575083.db2.gz IGIIIVDOBLLSNF-RDJZCZTQSA-N 0 3 378.517 0.836 20 0 GCADHN COC[C@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCO1 ZINC000660080696 1189578479 /nfs/dbraw/zinc/57/84/79/1189578479.db2.gz LKWZEWWZYJYVJO-ZWKOTPCHSA-N 0 3 375.469 0.593 20 0 GCADHN COc1ccc([C@H](CNC(=O)NC[C@@H]2CNCCO2)N2CCOCC2)cc1 ZINC000416809621 1189585688 /nfs/dbraw/zinc/58/56/88/1189585688.db2.gz JHCZZQLVEXWAOR-ROUUACIJSA-N 0 3 378.473 0.356 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000363951709 1189586975 /nfs/dbraw/zinc/58/69/75/1189586975.db2.gz ZFBUUUCDLCPVJD-HIFRSBDPSA-N 0 3 398.529 0.389 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000416858001 1189589998 /nfs/dbraw/zinc/58/99/98/1189589998.db2.gz FRXTUEYXUKLGMZ-OAHLLOKOSA-N 0 3 384.502 0.505 20 0 GCADHN CC(C)C[C@H](CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)N1CCOCC1 ZINC000416934036 1189594724 /nfs/dbraw/zinc/59/47/24/1189594724.db2.gz CLCDLFNJVIDRRI-QZTJIDSGSA-N 0 3 393.536 0.830 20 0 GCADHN CC(C)C[C@@H](CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)N1CCOCC1 ZINC000416934037 1189594955 /nfs/dbraw/zinc/59/49/55/1189594955.db2.gz CLCDLFNJVIDRRI-ROUUACIJSA-N 0 3 393.536 0.830 20 0 GCADHN CCN1CCN(CCCNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000363998121 1189609137 /nfs/dbraw/zinc/60/91/37/1189609137.db2.gz KHMMMKSDWLNOSI-MRXNPFEDSA-N 0 3 384.521 0.766 20 0 GCADHN O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCc2nnnn2CC1 ZINC000651418530 1189610033 /nfs/dbraw/zinc/61/00/33/1189610033.db2.gz SJBABIXLDDWNAC-OAHLLOKOSA-N 0 3 384.484 0.899 20 0 GCADHN CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](c1nc(-c2nc[n-]n2)no1)C(C)(C)C ZINC000584604188 1189610643 /nfs/dbraw/zinc/61/06/43/1189610643.db2.gz CJACOTUUGOYQTE-WDEREUQCSA-N 0 3 378.437 0.158 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000584604188 1189610646 /nfs/dbraw/zinc/61/06/46/1189610646.db2.gz CJACOTUUGOYQTE-WDEREUQCSA-N 0 3 378.437 0.158 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C)OC4(CCC4)C3)C2)CC1 ZINC000584599524 1189610911 /nfs/dbraw/zinc/61/09/11/1189610911.db2.gz ZUPKXAYPJXHNTJ-QZTJIDSGSA-N 0 3 392.544 0.783 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@H](C)OC4(CCC4)C3)C2)CC1 ZINC000584599527 1189611059 /nfs/dbraw/zinc/61/10/59/1189611059.db2.gz ZUPKXAYPJXHNTJ-ZWKOTPCHSA-N 0 3 392.544 0.783 20 0 GCADHN COCCn1cc(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cn1 ZINC000364006815 1189612215 /nfs/dbraw/zinc/61/22/15/1189612215.db2.gz ZPJBJCWDWMWHJF-UHFFFAOYSA-N 0 3 399.561 0.568 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)NCCOc3ccc4c(c3)OCO4)C2)nn1 ZINC000417121806 1189618777 /nfs/dbraw/zinc/61/87/77/1189618777.db2.gz PFAJCFJCKZXARM-CQSZACIVSA-N 0 3 388.428 0.891 20 0 GCADHN O=C(NCCCn1nc2n(c1=O)CCCC2)NC[C@@H]1NCCc2ccccc21 ZINC000417122665 1189619381 /nfs/dbraw/zinc/61/93/81/1189619381.db2.gz BFGKJNMUQIHAEW-KRWDZBQOSA-N 0 3 384.484 0.957 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCOC2CCCC2)CC1 ZINC000584670970 1189619561 /nfs/dbraw/zinc/61/95/61/1189619561.db2.gz AWYHBZLZJNUPNK-KRWDZBQOSA-N 0 3 394.516 0.217 20 0 GCADHN CC1(C)C[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C(C)(C)O1 ZINC000584673392 1189622815 /nfs/dbraw/zinc/62/28/15/1189622815.db2.gz ZXJHBLKUVJTYJD-OAHLLOKOSA-N 0 3 394.516 0.215 20 0 GCADHN CCN1C(=O)[C@H]2CN(C[C@@H](O)Cn3cnc4cc(C)c(C)cc43)CCN2C1=O ZINC000364043264 1189627920 /nfs/dbraw/zinc/62/79/20/1189627920.db2.gz TZBFFVZCOPWHAV-CRAIPNDOSA-N 0 3 385.468 0.982 20 0 GCADHN CCN1C(=O)[C@@H]2CN(C[C@H](O)Cn3cnc4cc(C)c(C)cc43)CCN2C1=O ZINC000364043267 1189628092 /nfs/dbraw/zinc/62/80/92/1189628092.db2.gz TZBFFVZCOPWHAV-YJBOKZPZSA-N 0 3 385.468 0.982 20 0 GCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@H]1CN3CCC[C@@H]3CO1)C2=O ZINC000364057547 1189635014 /nfs/dbraw/zinc/63/50/14/1189635014.db2.gz HDUMWTOTADKDEN-CUYVQJCZSA-N 0 3 378.473 0.467 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000584711421 1189635465 /nfs/dbraw/zinc/63/54/65/1189635465.db2.gz NTLUPALXGWVFSU-SQNIBIBYSA-N 0 3 380.533 0.737 20 0 GCADHN CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000473024061 1189638774 /nfs/dbraw/zinc/63/87/74/1189638774.db2.gz OUQKTANNEDKBER-RYQLBKOJSA-N 0 3 378.496 0.181 20 0 GCADHN Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584733222 1189641296 /nfs/dbraw/zinc/64/12/96/1189641296.db2.gz ZXRDHEKRDLVLLC-KGLIPLIRSA-N 0 3 388.472 0.177 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584731170 1189642758 /nfs/dbraw/zinc/64/27/58/1189642758.db2.gz HSVGTICLXIQAEF-YCPHGPKFSA-N 0 3 394.497 0.192 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000511618989 1189649163 /nfs/dbraw/zinc/64/91/63/1189649163.db2.gz VDDKKKMTFVITDZ-HNNXBMFYSA-N 0 3 395.470 0.528 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CN1Cc1ccccc1 ZINC000584785553 1189665304 /nfs/dbraw/zinc/66/53/04/1189665304.db2.gz UDJAGDFSZOFXSB-PVAVHDDUSA-N 0 3 380.514 0.983 20 0 GCADHN COC(=O)C(C)(C)c1csc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000584792673 1189669724 /nfs/dbraw/zinc/66/97/24/1189669724.db2.gz OUIXFHWGFRNRMX-NXEZZACHSA-N 0 3 381.458 0.369 20 0 GCADHN CCOC(=O)c1ccc(N2CCCN(C(=O)C[C@H]3CNCCO3)CC2)nc1 ZINC000563064165 1189671661 /nfs/dbraw/zinc/67/16/61/1189671661.db2.gz VWUYGJQKDOQIJV-INIZCTEOSA-N 0 3 376.457 0.676 20 0 GCADHN CC[C@H](CN1CCOCC1)NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000925608666 1189679674 /nfs/dbraw/zinc/67/96/74/1189679674.db2.gz HFHBLMFUFYTSPW-QGZVFWFLSA-N 0 3 395.548 0.613 20 0 GCADHN O=C(N[C@@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000974343018 1189683136 /nfs/dbraw/zinc/68/31/36/1189683136.db2.gz AOUXBDSPFMGHDR-ANGCRQQBSA-N 0 3 375.469 0.181 20 0 GCADHN C[C@]1(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCOC1 ZINC000584841679 1189688493 /nfs/dbraw/zinc/68/84/93/1189688493.db2.gz JXRCEAKBDDPAMK-GHTZIAJQSA-N 0 3 389.496 0.937 20 0 GCADHN C[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCN1 ZINC000417626822 1189692875 /nfs/dbraw/zinc/69/28/75/1189692875.db2.gz RRAAGVOFGQFXMU-HOTGVXAUSA-N 0 3 389.504 0.285 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000417625909 1189692885 /nfs/dbraw/zinc/69/28/85/1189692885.db2.gz QHTJRWDLIDMRCJ-UONOGXRCSA-N 0 3 384.502 0.191 20 0 GCADHN O=C(CN1CC[C@@H]2OCCN[C@@H]2C1)NCC1(N2CCOCC2)CCCCC1 ZINC000579015765 1189718681 /nfs/dbraw/zinc/71/86/81/1189718681.db2.gz AKMSRSCAJVOXPY-MSOLQXFVSA-N 0 3 380.533 0.200 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)nn1 ZINC000500137817 1189723418 /nfs/dbraw/zinc/72/34/18/1189723418.db2.gz VYUNKEISVIQRHE-OAHLLOKOSA-N 0 3 378.408 0.692 20 0 GCADHN O=C(N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C1(O)CCOCC1 ZINC000330030868 1189744752 /nfs/dbraw/zinc/74/47/52/1189744752.db2.gz SEPUUSPHUWQYKP-GOSISDBHSA-N 0 3 388.512 0.984 20 0 GCADHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)NC[C@H]2CCCN2C)C1 ZINC000500248714 1189745715 /nfs/dbraw/zinc/74/57/15/1189745715.db2.gz RDELGSLSKJYEQQ-HUUCEWRRSA-N 0 3 392.504 0.769 20 0 GCADHN Cc1nnc2n1C[C@@H](C(=O)NCC1CCN(Cc3ccncc3)CC1)N(C)C2 ZINC000617974266 1189750249 /nfs/dbraw/zinc/75/02/49/1189750249.db2.gz GWNAVDJPHITGNH-SFHVURJKSA-N 0 3 383.500 0.824 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@H](O)C[C@@H]3COC)c2)CC1 ZINC000652031581 1189767340 /nfs/dbraw/zinc/76/73/40/1189767340.db2.gz PKHHYKDSQASUOC-QZTJIDSGSA-N 0 3 390.484 0.375 20 0 GCADHN O=C(CCNC(=O)c1ccc(F)cc1)NCC(=O)NCCN1CCCCC1 ZINC000909326258 1189792238 /nfs/dbraw/zinc/79/22/38/1189792238.db2.gz SYMGURLOCREDKL-UHFFFAOYSA-N 0 3 378.448 0.664 20 0 GCADHN O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)NCCN1CCCCC1 ZINC000909326989 1189794482 /nfs/dbraw/zinc/79/44/82/1189794482.db2.gz JHMJQEFNTUZXSA-HNNXBMFYSA-N 0 3 390.459 0.897 20 0 GCADHN O=C(CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)NCCN1CCCCC1 ZINC000909327944 1189797121 /nfs/dbraw/zinc/79/71/21/1189797121.db2.gz QKFFGTUOYYUUPY-UHFFFAOYSA-N 0 3 397.479 0.675 20 0 GCADHN COc1ccccc1C(=O)NCC(=O)NCC(=O)NCCN1CCCCC1 ZINC000909328606 1189797935 /nfs/dbraw/zinc/79/79/35/1189797935.db2.gz ZODMIIJPEUHVGA-UHFFFAOYSA-N 0 3 376.457 0.143 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)cc1S(N)(=O)=O ZINC000429801638 1189805932 /nfs/dbraw/zinc/80/59/32/1189805932.db2.gz WBCOILNCZRJPCM-UHFFFAOYSA-N 0 3 384.502 0.627 20 0 GCADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(CCC(C)(C)C)CC2)cn1C ZINC000511682768 1189832676 /nfs/dbraw/zinc/83/26/76/1189832676.db2.gz TZJAZKCUBWPLBL-UHFFFAOYSA-N 0 3 399.561 0.977 20 0 GCADHN OCCN1CCN(CCCCNc2cc(C(F)(F)F)nc3ncnn32)CC1 ZINC000511718477 1189837992 /nfs/dbraw/zinc/83/79/92/1189837992.db2.gz BEVQKVGWTHUASI-UHFFFAOYSA-N 0 3 387.410 0.945 20 0 GCADHN COC[C@]1(CO)CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000660470362 1189843211 /nfs/dbraw/zinc/84/32/11/1189843211.db2.gz OOTMGTKOICWXFF-WIYYLYMNSA-N 0 3 389.496 0.577 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C[C@H](CO)O1 ZINC000660469727 1189843460 /nfs/dbraw/zinc/84/34/60/1189843460.db2.gz BQBAEQOGGDUJGP-KBAYOESNSA-N 0 3 375.469 0.328 20 0 GCADHN COc1ccc(F)c(C(=O)NCCCCN2CCN(CCO)CC2)c1OC ZINC000473068928 1189856228 /nfs/dbraw/zinc/85/62/28/1189856228.db2.gz BVETWSMOYQVIHG-UHFFFAOYSA-N 0 3 383.464 0.963 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)N4CCCC4)[C@@H]3C2)C1 ZINC000974717654 1189880070 /nfs/dbraw/zinc/88/00/70/1189880070.db2.gz BPZJCTMPVZHXEB-QBPKDAKJSA-N 0 3 390.528 0.835 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCc4c(ncn4-c4ccccc4)C3)C[C@@H]21 ZINC000660543027 1189895522 /nfs/dbraw/zinc/89/55/22/1189895522.db2.gz XFJASRBHKNHSHJ-BEFAXECRSA-N 0 3 379.464 0.920 20 0 GCADHN CN(CCN1CCCS1(=O)=O)CCN1CCN(Cc2ccccc2)CC1 ZINC000511825686 1189900595 /nfs/dbraw/zinc/90/05/95/1189900595.db2.gz PVMQYPWFNBLVLQ-UHFFFAOYSA-N 0 3 380.558 0.772 20 0 GCADHN CC1(C)CN(CCCN2C(=O)CNC2=O)C[C@@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000975077030 1189917042 /nfs/dbraw/zinc/91/70/42/1189917042.db2.gz DBPSKRIUOGMZIR-KBXIAJHMSA-N 0 3 378.473 0.322 20 0 GCADHN O=C(NCCS(=O)(=O)NCC1CCC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000660628263 1189917846 /nfs/dbraw/zinc/91/78/46/1189917846.db2.gz RSCMDGVIYUWEGS-INIZCTEOSA-N 0 3 388.534 0.258 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)CNC2(COC)CCOCC2)ccc1C ZINC000660634703 1189919902 /nfs/dbraw/zinc/91/99/02/1189919902.db2.gz SWRMISZEIYJNSU-UHFFFAOYSA-N 0 3 385.486 0.627 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660713384 1189939624 /nfs/dbraw/zinc/93/96/24/1189939624.db2.gz RQSJMTKVBLASPP-CHWSQXEVSA-N 0 3 378.395 0.702 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)NC3CC3)cc2)CC1 ZINC000049272222 1189943588 /nfs/dbraw/zinc/94/35/88/1189943588.db2.gz ZZROSIFPSNNOSU-UHFFFAOYSA-N 0 3 387.484 0.157 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC000975737511 1189969928 /nfs/dbraw/zinc/96/99/28/1189969928.db2.gz VKPLNKPHUQGVSP-QXSJWSMHSA-N 0 3 387.484 0.894 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC000975737511 1189969930 /nfs/dbraw/zinc/96/99/30/1189969930.db2.gz VKPLNKPHUQGVSP-QXSJWSMHSA-N 0 3 387.484 0.894 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCN(C(=O)N3CCCCC3)CC2)CC1 ZINC000605846605 1190002658 /nfs/dbraw/zinc/00/26/58/1190002658.db2.gz XXIJGPKCGFRXED-UHFFFAOYSA-N 0 3 394.564 0.947 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N(CCO)C2CCOCC2)C1 ZINC000661161998 1190004598 /nfs/dbraw/zinc/00/45/98/1190004598.db2.gz CFJUSQFMBZUNRS-IBGZPJMESA-N 0 3 389.496 0.719 20 0 GCADHN CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000473098563 1190013449 /nfs/dbraw/zinc/01/34/49/1190013449.db2.gz NDCCEOIQIWWBPD-JYJNAYRXSA-N 0 3 381.521 0.904 20 0 GCADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1C ZINC000662751644 1190017147 /nfs/dbraw/zinc/01/71/47/1190017147.db2.gz AZJJXAVAGYFDFD-UHFFFAOYSA-N 0 3 393.469 0.195 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)n1 ZINC000662749901 1190017197 /nfs/dbraw/zinc/01/71/97/1190017197.db2.gz HZFRNRLHQVXZHC-UHFFFAOYSA-N 0 3 387.444 0.216 20 0 GCADHN CS(=O)(=O)c1ccc(OCCCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662750808 1190017433 /nfs/dbraw/zinc/01/74/33/1190017433.db2.gz HCBQAHDZGRUQLL-UHFFFAOYSA-N 0 3 394.453 0.520 20 0 GCADHN C[C@H](C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000662751817 1190017989 /nfs/dbraw/zinc/01/79/89/1190017989.db2.gz DPMNRLRPWZGFEQ-CYBMUJFWSA-N 0 3 388.447 0.607 20 0 GCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000662753275 1190018994 /nfs/dbraw/zinc/01/89/94/1190018994.db2.gz RHTDUVHDLBOQFU-UHFFFAOYSA-N 0 3 379.442 0.178 20 0 GCADHN Cc1oc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1S(=O)(=O)N1CCCC1 ZINC000662753242 1190019236 /nfs/dbraw/zinc/01/92/36/1190019236.db2.gz XKNMSMVSDHIVIK-UHFFFAOYSA-N 0 3 395.441 0.257 20 0 GCADHN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662753226 1190019265 /nfs/dbraw/zinc/01/92/65/1190019265.db2.gz QCOYCJBVKDGEKF-UHFFFAOYSA-N 0 3 396.455 0.709 20 0 GCADHN COc1ccc(C)cc1N1C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662754463 1190020593 /nfs/dbraw/zinc/02/05/93/1190020593.db2.gz OLUPVAFPXWMJLP-GFCCVEGCSA-N 0 3 385.424 0.627 20 0 GCADHN NC(=O)COc1ccc(CNCCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000066874993 1190022964 /nfs/dbraw/zinc/02/29/64/1190022964.db2.gz AWPLMAMCAJGSLW-UHFFFAOYSA-N 0 3 377.466 0.760 20 0 GCADHN CS(=O)(=O)c1ccc(OCCCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000647707999 1190024921 /nfs/dbraw/zinc/02/49/21/1190024921.db2.gz HFLKUGSRIJIJFO-JKSUJKDBSA-N 0 3 396.509 0.917 20 0 GCADHN CCN1CCCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1=O ZINC000661277153 1190025070 /nfs/dbraw/zinc/02/50/70/1190025070.db2.gz HZEYJHZLDXPJSL-GOSISDBHSA-N 0 3 386.496 0.800 20 0 GCADHN O=C(NCC1(N2CCOCC2)CCOCC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000661305120 1190027898 /nfs/dbraw/zinc/02/78/98/1190027898.db2.gz NJXNELKRNKPWMV-SFHVURJKSA-N 0 3 396.532 0.420 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)c(C)c1 ZINC000668982712 1190034623 /nfs/dbraw/zinc/03/46/23/1190034623.db2.gz KMLIKVUPZSAYQL-KRWDZBQOSA-N 0 3 375.469 0.989 20 0 GCADHN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000662813868 1190039510 /nfs/dbraw/zinc/03/95/10/1190039510.db2.gz MYUXYTZSCDIQNR-DZGCQCFKSA-N 0 3 384.506 0.007 20 0 GCADHN Cc1c(CN)c(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)nn1C ZINC000662841351 1190048569 /nfs/dbraw/zinc/04/85/69/1190048569.db2.gz JFIGWPADUHHPLP-ZDUSSCGKSA-N 0 3 385.424 0.950 20 0 GCADHN Cc1c(CN)c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)nn1C ZINC000662838048 1190049084 /nfs/dbraw/zinc/04/90/84/1190049084.db2.gz JJVORBSIBSHOCU-UHFFFAOYSA-N 0 3 382.424 0.198 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCOCC2(CCCC2)C1 ZINC000661460824 1190051851 /nfs/dbraw/zinc/05/18/51/1190051851.db2.gz LNTANQUMGVPZAF-UHFFFAOYSA-N 0 3 380.533 0.502 20 0 GCADHN COC[C@H]1CCCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000411023490 1193723001 /nfs/dbraw/zinc/72/30/01/1193723001.db2.gz YLWBDBGTKUIDOE-KRWDZBQOSA-N 0 3 394.516 0.028 20 0 GCADHN CCCCNC(=O)CNCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCC1 ZINC001481902905 1193728326 /nfs/dbraw/zinc/72/83/26/1193728326.db2.gz XLSTVASRFIBGDM-XYJFISCASA-N 0 3 381.517 0.973 20 0 GCADHN Cn1c2ccc(S(=O)(=O)N3CC[C@H]4[C@@H](CCCN4C)C3)cc2n(C)c1=O ZINC000246977255 1193730561 /nfs/dbraw/zinc/73/05/61/1193730561.db2.gz JLBOGWRBKJABPD-ZFWWWQNUSA-N 0 3 378.498 0.982 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000663930047 1193731243 /nfs/dbraw/zinc/73/12/43/1193731243.db2.gz QROLPKBNDRIQNX-UHFFFAOYSA-N 0 3 389.500 0.233 20 0 GCADHN COc1cccc(N2CC[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C2)c1 ZINC000663963492 1193740740 /nfs/dbraw/zinc/74/07/40/1193740740.db2.gz KWUOTAXUWWETGV-MRXNPFEDSA-N 0 3 391.516 0.935 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000433097982 1193750587 /nfs/dbraw/zinc/75/05/87/1193750587.db2.gz QSEALGIMIGAQFR-SFHVURJKSA-N 0 3 396.557 0.969 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc3c(cc2C)OCO3)CC1 ZINC000512746962 1193751756 /nfs/dbraw/zinc/75/17/56/1193751756.db2.gz AECFWHHMARRYQV-CQSZACIVSA-N 0 3 376.457 0.804 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(C)c2C(=O)OC)CC1 ZINC000512760393 1193753532 /nfs/dbraw/zinc/75/35/32/1193753532.db2.gz MFEBKWKBTWAZBU-UHFFFAOYSA-N 0 3 376.457 0.474 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000473479649 1193764834 /nfs/dbraw/zinc/76/48/34/1193764834.db2.gz PRBKUOGTVLNGDB-CQSZACIVSA-N 0 3 375.473 0.726 20 0 GCADHN COC(=O)C[C@@]1(NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCOC1 ZINC000419254161 1193770491 /nfs/dbraw/zinc/77/04/91/1193770491.db2.gz XLKUHPLQTLOLTN-KUHUBIRLSA-N 0 3 378.425 0.623 20 0 GCADHN COC(=O)[C@H](C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC000411571071 1193773835 /nfs/dbraw/zinc/77/38/35/1193773835.db2.gz PHUAUUOWTXEKRE-PBHICJAKSA-N 0 3 391.468 0.865 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000419263252 1193773989 /nfs/dbraw/zinc/77/39/89/1193773989.db2.gz YDVVQWBSRFKLRK-GWCFXTLKSA-N 0 3 393.831 0.672 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)C(=O)N1c1cnn(C)c1 ZINC000669330841 1193775178 /nfs/dbraw/zinc/77/51/78/1193775178.db2.gz CEYBSBCOAICGIW-VNHYZAJKSA-N 0 3 390.488 0.019 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1ccc(-n2cnnn2)cc1 ZINC000512814149 1193777985 /nfs/dbraw/zinc/77/79/85/1193777985.db2.gz LOWMEHPGDFHBFZ-UHFFFAOYSA-N 0 3 388.476 0.174 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000419270066 1193778043 /nfs/dbraw/zinc/77/80/43/1193778043.db2.gz COXAQKQGEDPNGA-YOEHRIQHSA-N 0 3 385.468 0.777 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCCc1ccc2c(c1)CCO2 ZINC000512820539 1193779446 /nfs/dbraw/zinc/77/94/46/1193779446.db2.gz MIKNOBTWESAHHS-UHFFFAOYSA-N 0 3 390.528 0.853 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000473481011 1193781577 /nfs/dbraw/zinc/78/15/77/1193781577.db2.gz HLOGURHTRCRILS-MRXNPFEDSA-N 0 3 399.499 0.407 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCNC(=O)c2cccs2)CC1 ZINC000509810712 1193783665 /nfs/dbraw/zinc/78/36/65/1193783665.db2.gz XMXFUBQEFJKLKX-UHFFFAOYSA-N 0 3 395.529 0.674 20 0 GCADHN COCCOc1cccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000473484805 1193785511 /nfs/dbraw/zinc/78/55/11/1193785511.db2.gz SMYOAZKMFLIQOF-INIZCTEOSA-N 0 3 392.500 0.793 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419283855 1193786352 /nfs/dbraw/zinc/78/63/52/1193786352.db2.gz ZQFOBKKNLNSAMN-SQNIBIBYSA-N 0 3 382.464 0.987 20 0 GCADHN CN(Cc1ccc2c(c1)OCO2)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512837067 1193786421 /nfs/dbraw/zinc/78/64/21/1193786421.db2.gz GBBQWDXZUIHJQI-UHFFFAOYSA-N 0 3 392.500 0.947 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000419288046 1193786763 /nfs/dbraw/zinc/78/67/63/1193786763.db2.gz SFSZLXYJIPDVCD-IMJJTQAJSA-N 0 3 388.468 0.133 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000419288045 1193786993 /nfs/dbraw/zinc/78/69/93/1193786993.db2.gz SFSZLXYJIPDVCD-CWRNSKLLSA-N 0 3 388.468 0.133 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000419290719 1193787684 /nfs/dbraw/zinc/78/76/84/1193787684.db2.gz VWEFCMHTTHLREQ-CVEARBPZSA-N 0 3 391.468 0.348 20 0 GCADHN Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)nc1 ZINC000419302239 1193795995 /nfs/dbraw/zinc/79/59/95/1193795995.db2.gz POAFLFSLXOUAOK-GDBMZVCRSA-N 0 3 389.500 0.704 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCNCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419303777 1193797107 /nfs/dbraw/zinc/79/71/07/1193797107.db2.gz SOUOFIUBOILRJS-CQSZACIVSA-N 0 3 377.464 0.187 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000263227974 1193799930 /nfs/dbraw/zinc/79/99/30/1193799930.db2.gz HCVSXRZSULSNOZ-APWZRJJASA-N 0 3 375.517 0.413 20 0 GCADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000419317728 1193808020 /nfs/dbraw/zinc/80/80/20/1193808020.db2.gz NBVXTAHWBHVRQS-IAGOWNOFSA-N 0 3 389.500 0.846 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000614333268 1193809021 /nfs/dbraw/zinc/80/90/21/1193809021.db2.gz CBWKVFQXDHUODF-OAHLLOKOSA-N 0 3 398.529 0.602 20 0 GCADHN C[C@]12CN(CCN3CCNC3=O)C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 ZINC000982584573 1193813756 /nfs/dbraw/zinc/81/37/56/1193813756.db2.gz YWDMVMQFIAMOJE-WVPQZDDBSA-N 0 3 376.501 0.750 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000614334830 1193814787 /nfs/dbraw/zinc/81/47/87/1193814787.db2.gz KDHLAACPFYPUDC-CQSZACIVSA-N 0 3 399.513 0.925 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(OC)c(C(=O)OC)c2)CC1 ZINC000433360718 1193815303 /nfs/dbraw/zinc/81/53/03/1193815303.db2.gz FZCIPLVFXZWNAZ-UHFFFAOYSA-N 0 3 385.486 0.398 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000433359348 1193815338 /nfs/dbraw/zinc/81/53/38/1193815338.db2.gz HPPVAINBXXRJLC-DLBZAZTESA-N 0 3 386.514 0.783 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000419330984 1193823208 /nfs/dbraw/zinc/82/32/08/1193823208.db2.gz RFBQOFWGBATGJZ-ZFWWWQNUSA-N 0 3 391.468 0.736 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCCc1cccc(C(=O)N(C)C)c1)C1=CCN(C)CC1 ZINC000513039682 1193831009 /nfs/dbraw/zinc/83/10/09/1193831009.db2.gz BQJJXJVDRBNPJY-OAHLLOKOSA-N 0 3 386.496 0.814 20 0 GCADHN CC(C)(C)CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001482060285 1193834342 /nfs/dbraw/zinc/83/43/42/1193834342.db2.gz OOPIVCQCNUPHLH-UIBIWLFHSA-N 0 3 381.517 0.781 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000664102480 1193849538 /nfs/dbraw/zinc/84/95/38/1193849538.db2.gz VPVVRXMGPNNMAN-UHFFFAOYSA-N 0 3 399.442 0.356 20 0 GCADHN Cc1nnc2n1C[C@@H](C(=O)N1CC3(CCCC3)OC[C@H]1CN(C)C)N(C)C2 ZINC000620918361 1193860539 /nfs/dbraw/zinc/86/05/39/1193860539.db2.gz VIWORTFNQRDCSS-CVEARBPZSA-N 0 3 376.505 0.502 20 0 GCADHN CCO[C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000982697069 1193876692 /nfs/dbraw/zinc/87/66/92/1193876692.db2.gz GOXWZYBHYNHIQB-VMUDFCTBSA-N 0 3 386.456 0.838 20 0 GCADHN COc1cccc(OCCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419376118 1193877742 /nfs/dbraw/zinc/87/77/42/1193877742.db2.gz RPMXEEZNOQVFAS-BBRMVZONSA-N 0 3 379.457 0.810 20 0 GCADHN CCO[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000982735896 1193886245 /nfs/dbraw/zinc/88/62/45/1193886245.db2.gz KOXQQOLLZBRULV-ODVANORSSA-N 0 3 393.488 0.031 20 0 GCADHN Cc1ccccc1CN1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000030153744 1193895044 /nfs/dbraw/zinc/89/50/44/1193895044.db2.gz OJLWQGQPXOOAOY-UHFFFAOYSA-N 0 3 399.495 0.365 20 0 GCADHN COc1ccccc1CNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000549923288 1193900741 /nfs/dbraw/zinc/90/07/41/1193900741.db2.gz HIRDWHIJEUZQQZ-SFHVURJKSA-N 0 3 388.512 0.938 20 0 GCADHN CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419390184 1193901654 /nfs/dbraw/zinc/90/16/54/1193901654.db2.gz LVQBUUNWNKFVGA-HRCADAONSA-N 0 3 392.504 0.609 20 0 GCADHN CCCC1N=NC(=S)N1CC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000728980432 1193902409 /nfs/dbraw/zinc/90/24/09/1193902409.db2.gz FSVSDUHLMINSCC-UHFFFAOYSA-N 0 3 382.534 0.532 20 0 GCADHN C[C@@H]1CCC[C@H](NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@@H]1C ZINC000549928011 1193906286 /nfs/dbraw/zinc/90/62/86/1193906286.db2.gz JBFRWKJXRXMPOJ-WCXIOVBPSA-N 0 3 380.533 0.986 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000729266136 1193910509 /nfs/dbraw/zinc/91/05/09/1193910509.db2.gz WSRYTYARJGMNHU-QRQLOZEOSA-N 0 3 378.469 0.744 20 0 GCADHN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000729266297 1193910582 /nfs/dbraw/zinc/91/05/82/1193910582.db2.gz VWOYCRVEDVUHTD-FZMZJTMJSA-N 0 3 393.513 0.588 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000729266133 1193910714 /nfs/dbraw/zinc/91/07/14/1193910714.db2.gz WSRYTYARJGMNHU-BHIYHBOVSA-N 0 3 378.469 0.744 20 0 GCADHN COC(=O)N1CCC[C@@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000726711954 1193912370 /nfs/dbraw/zinc/91/23/70/1193912370.db2.gz CTTVIFQSVZLSDS-HUUCEWRRSA-N 0 3 383.493 0.459 20 0 GCADHN CN(C)S(=O)(=O)NCC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000614444055 1193915230 /nfs/dbraw/zinc/91/52/30/1193915230.db2.gz URSRWDGDRFWFGD-HNNXBMFYSA-N 0 3 392.566 0.102 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C2(CC(=O)N3CCOCC3)CCCC2)CC1 ZINC000513207108 1193921590 /nfs/dbraw/zinc/92/15/90/1193921590.db2.gz UBTQIVWQHOYXPB-SFHVURJKSA-N 0 3 394.560 0.938 20 0 GCADHN N[C@@H](C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCOCC1 ZINC000261685253 1193923261 /nfs/dbraw/zinc/92/32/61/1193923261.db2.gz HDTIFNZFDJHXMY-GOSISDBHSA-N 0 3 395.525 0.957 20 0 GCADHN COc1ccc([C@H](CNC(=O)[C@@H](N)C2CCOCC2)N2CCOCC2)cc1 ZINC000261747367 1193924667 /nfs/dbraw/zinc/92/46/67/1193924667.db2.gz KYUVESZGIZSRHT-OALUTQOASA-N 0 3 377.485 0.939 20 0 GCADHN N[C@H](C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261798840 1193926874 /nfs/dbraw/zinc/92/68/74/1193926874.db2.gz OAYDTBKGVJLDFP-SFHVURJKSA-N 0 3 379.432 0.629 20 0 GCADHN N[C@@H](C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCOCC1 ZINC000261872798 1193929418 /nfs/dbraw/zinc/92/94/18/1193929418.db2.gz TWBDIUFIDGYUNA-QGZVFWFLSA-N 0 3 381.498 0.415 20 0 GCADHN CCN1CCN(CCNC(=O)C2(CC(=O)N3CCOCC3)CCCC2)CC1 ZINC000513271144 1193930821 /nfs/dbraw/zinc/93/08/21/1193930821.db2.gz HKZRQWIIMLLRDZ-UHFFFAOYSA-N 0 3 380.533 0.549 20 0 GCADHN N[C@H](C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C1CCOCC1 ZINC000261928262 1193931887 /nfs/dbraw/zinc/93/18/87/1193931887.db2.gz ZPCGLFQXAZURMY-SFHVURJKSA-N 0 3 390.484 0.441 20 0 GCADHN COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@@H](N)C2CCOCC2)C1=O ZINC000261945588 1193932391 /nfs/dbraw/zinc/93/23/91/1193932391.db2.gz JRGNGXHDFZNZEN-STQMWFEESA-N 0 3 381.454 0.510 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000261990699 1193935225 /nfs/dbraw/zinc/93/52/25/1193935225.db2.gz CUXZGKURVUBXQQ-FQEVSTJZSA-N 0 3 388.512 0.683 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000262026507 1193936319 /nfs/dbraw/zinc/93/63/19/1193936319.db2.gz GMJJLBUSKDXVIA-HNNXBMFYSA-N 0 3 378.454 0.920 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000262107916 1193939438 /nfs/dbraw/zinc/93/94/38/1193939438.db2.gz MMMMLZNBUPTLMW-DEYYWGMASA-N 0 3 390.484 0.974 20 0 GCADHN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262118811 1193939755 /nfs/dbraw/zinc/93/97/55/1193939755.db2.gz NDFYMCXTQMSUIG-SFHVURJKSA-N 0 3 392.456 0.344 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000643372300 1193941743 /nfs/dbraw/zinc/94/17/43/1193941743.db2.gz CSJBBBAXRSCAPR-QGZVFWFLSA-N 0 3 396.495 0.764 20 0 GCADHN CCCN(CC(=O)Nc1ccccc1OC)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262205509 1193941845 /nfs/dbraw/zinc/94/18/45/1193941845.db2.gz SQNZPAYVLAWDOK-SFHVURJKSA-N 0 3 378.473 0.972 20 0 GCADHN COc1ccc(F)cc1CN1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000262280389 1193943865 /nfs/dbraw/zinc/94/38/65/1193943865.db2.gz ZDGXGTDSNVMUBY-SFHVURJKSA-N 0 3 380.464 0.578 20 0 GCADHN COc1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1-n1nnnc1C1CC1 ZINC000262286704 1193944008 /nfs/dbraw/zinc/94/40/08/1193944008.db2.gz ZTGCHMBBWBGKLI-INIZCTEOSA-N 0 3 387.444 0.586 20 0 GCADHN COC(C)(C)C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000513377923 1193944054 /nfs/dbraw/zinc/94/40/54/1193944054.db2.gz NGHXPHBWFXPJCR-HNNXBMFYSA-N 0 3 382.505 0.073 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)NCc2n[nH]c(C3CCOCC3)n2)CC1 ZINC000637641793 1193946274 /nfs/dbraw/zinc/94/62/74/1193946274.db2.gz WDYQIEHZIWTCRU-UHFFFAOYSA-N 0 3 380.493 0.951 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cnc2sccn2c1=O ZINC000513435083 1193951007 /nfs/dbraw/zinc/95/10/07/1193951007.db2.gz RPNPIWQVFSPVBX-CYBMUJFWSA-N 0 3 377.470 0.429 20 0 GCADHN Cn1ccnc1[C@@H](NC(=O)NCCCCN1CCN(C)CC1)C(C)(C)CO ZINC000664176777 1193951231 /nfs/dbraw/zinc/95/12/31/1193951231.db2.gz WZRLYXFSZJBCJF-MRXNPFEDSA-N 0 3 380.537 0.807 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000513439520 1193951761 /nfs/dbraw/zinc/95/17/61/1193951761.db2.gz NWIUVYLZOSIUDB-FRRDWIJNSA-N 0 3 392.422 0.502 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000433860713 1193954480 /nfs/dbraw/zinc/95/44/80/1193954480.db2.gz VDJQTEVSRJXXRU-INIZCTEOSA-N 0 3 377.470 0.566 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000513587139 1193964456 /nfs/dbraw/zinc/96/44/56/1193964456.db2.gz VCGHRHXBHDFRMT-ZACQAIPSSA-N 0 3 380.533 0.402 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@H](CN3CCCC3=O)C2)CC1 ZINC000664218983 1193970274 /nfs/dbraw/zinc/97/02/74/1193970274.db2.gz GHNLYOSXCHOTOX-ZWKOTPCHSA-N 0 3 379.549 0.914 20 0 GCADHN C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)CN1CCO ZINC000894234952 1193970440 /nfs/dbraw/zinc/97/04/40/1193970440.db2.gz YPGSBOISWFJAEX-HZPDHXFCSA-N 0 3 383.514 0.599 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCCNC(=O)c1cccc(F)c1 ZINC000888242998 1193970757 /nfs/dbraw/zinc/97/07/57/1193970757.db2.gz BGUROZJVBLDSAZ-AWEZNQCLSA-N 0 3 393.463 0.707 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(OC)cc(-n2cccn2)c1 ZINC000280266049 1193982374 /nfs/dbraw/zinc/98/23/74/1193982374.db2.gz JWXWZNHQPKMZDF-UHFFFAOYSA-N 0 3 389.456 0.856 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC(CC(N)=O)C3)cc2)CC1 ZINC000280294573 1193984299 /nfs/dbraw/zinc/98/42/99/1193984299.db2.gz ANWMETJMRBLUHB-UHFFFAOYSA-N 0 3 387.484 0.096 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cn(Cc3noc(C)n3)nn2)C[C@@H]1N1CCCC1 ZINC000280274200 1193984496 /nfs/dbraw/zinc/98/44/96/1193984496.db2.gz OSYIPYSWSGXUQH-UONOGXRCSA-N 0 3 377.474 0.670 20 0 GCADHN COC[C@H](CO)NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000280426579 1193994606 /nfs/dbraw/zinc/99/46/06/1193994606.db2.gz ZKQIALYWWPAJLB-IBGZPJMESA-N 0 3 378.517 0.891 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1=O ZINC000280503121 1193999785 /nfs/dbraw/zinc/99/97/85/1193999785.db2.gz ACXAOKVGJXXMSB-IAGOWNOFSA-N 0 3 386.496 0.908 20 0 GCADHN NC(=O)CC1CN(C(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000280576657 1194005206 /nfs/dbraw/zinc/00/52/06/1194005206.db2.gz YESUOUNUAOTBLP-UHFFFAOYSA-N 0 3 390.509 0.550 20 0 GCADHN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@@](C)(C(N)=O)C1 ZINC000280693587 1194013306 /nfs/dbraw/zinc/01/33/06/1194013306.db2.gz HVSZVPVUZXWKKC-ADLMAVQZSA-N 0 3 376.413 0.692 20 0 GCADHN COc1cc(OC)cc(OCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419406974 1194021854 /nfs/dbraw/zinc/02/18/54/1194021854.db2.gz VYCNAGKWNLAZQN-MLGOLLRUSA-N 0 3 395.456 0.428 20 0 GCADHN NCC(F)(F)CNC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000419423528 1194024660 /nfs/dbraw/zinc/02/46/60/1194024660.db2.gz RZMWUCDBWIABEZ-UHFFFAOYSA-N 0 3 383.443 0.025 20 0 GCADHN COc1cc([C@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)ccc1OC(C)C ZINC000419427063 1194027500 /nfs/dbraw/zinc/02/75/00/1194027500.db2.gz OBDRFMVPJFSHIZ-ZFWWWQNUSA-N 0 3 379.457 0.764 20 0 GCADHN COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)C2)c1 ZINC000419454194 1194032380 /nfs/dbraw/zinc/03/23/80/1194032380.db2.gz ZBHDFINPQABGJH-KEYYUXOJSA-N 0 3 390.484 0.619 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1cn(-c2ccccc2)nn1 ZINC000419417807 1194032611 /nfs/dbraw/zinc/03/26/11/1194032611.db2.gz QEGULFVHDAFSOI-YDHLFZDLSA-N 0 3 386.456 0.674 20 0 GCADHN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419437120 1194034528 /nfs/dbraw/zinc/03/45/28/1194034528.db2.gz FCNPFMCCTMTZNQ-ZBFHGGJFSA-N 0 3 394.903 0.696 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000419440876 1194035052 /nfs/dbraw/zinc/03/50/52/1194035052.db2.gz IZSMTTNRVNYIIQ-ZDUSSCGKSA-N 0 3 381.423 0.997 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000419445557 1194035776 /nfs/dbraw/zinc/03/57/76/1194035776.db2.gz UVHPFGWOSFSHLC-WMLDXEAASA-N 0 3 385.468 0.760 20 0 GCADHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419443869 1194035870 /nfs/dbraw/zinc/03/58/70/1194035870.db2.gz XIKSHEKSKRKZAP-KGLIPLIRSA-N 0 3 396.875 0.148 20 0 GCADHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419443870 1194035963 /nfs/dbraw/zinc/03/59/63/1194035963.db2.gz XIKSHEKSKRKZAP-UONOGXRCSA-N 0 3 396.875 0.148 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N(CCN(C)C)Cc2cccs2)C1=O ZINC000501041976 1194038976 /nfs/dbraw/zinc/03/89/76/1194038976.db2.gz UEYGXWWIZDJWDF-OAHLLOKOSA-N 0 3 396.513 0.985 20 0 GCADHN COc1cccc(COCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419471884 1194039052 /nfs/dbraw/zinc/03/90/52/1194039052.db2.gz GKPYHAGMNHLCGB-CJNGLKHVSA-N 0 3 379.457 0.557 20 0 GCADHN COC(=O)c1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000419476007 1194040091 /nfs/dbraw/zinc/04/00/91/1194040091.db2.gz NTZQNWFVTXPYMM-RISCZKNCSA-N 0 3 393.440 0.327 20 0 GCADHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419497494 1194045694 /nfs/dbraw/zinc/04/56/94/1194045694.db2.gz NDJFLPRXZHMKPZ-LZLYRXPVSA-N 0 3 375.469 0.906 20 0 GCADHN Cc1cccc(N2CCN(CCCNC(=O)C(=O)N3CCNC[C@@H]3C)CC2)c1 ZINC000419499239 1194046151 /nfs/dbraw/zinc/04/61/51/1194046151.db2.gz BIMAGSLCKXABTR-SFHVURJKSA-N 0 3 387.528 0.444 20 0 GCADHN CCC(CC)C(=O)N1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419508101 1194048310 /nfs/dbraw/zinc/04/83/10/1194048310.db2.gz QRGDFRXRUAWEOK-BBRMVZONSA-N 0 3 396.532 0.759 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@H]2CNCCO2)cc1OC(F)F ZINC000419530814 1194050229 /nfs/dbraw/zinc/05/02/29/1194050229.db2.gz ZPWDFVXMOKCBKS-GFCCVEGCSA-N 0 3 387.383 0.060 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)c(OC2CCCC2)c1 ZINC000419555933 1194058736 /nfs/dbraw/zinc/05/87/36/1194058736.db2.gz IBTNGHGCBFTFBR-QGZVFWFLSA-N 0 3 391.468 0.737 20 0 GCADHN CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419623299 1194071148 /nfs/dbraw/zinc/07/11/48/1194071148.db2.gz FJAHIGNRXXDNSB-NMFUWQPSSA-N 0 3 378.477 0.076 20 0 GCADHN COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419609681 1194073473 /nfs/dbraw/zinc/07/34/73/1194073473.db2.gz JGKWXDJMVRKEDS-IOASZLSFSA-N 0 3 379.457 0.808 20 0 GCADHN COC(=O)c1ccc(CNC(=O)[C@@H](C)NC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000501149268 1194073683 /nfs/dbraw/zinc/07/36/83/1194073683.db2.gz OVURTVRAFNZEMM-KDOFPFPSSA-N 0 3 375.469 0.931 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000419640514 1194075173 /nfs/dbraw/zinc/07/51/73/1194075173.db2.gz KMZCDBRIOMOVKX-RHSMWYFYSA-N 0 3 385.468 0.777 20 0 GCADHN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419646933 1194076250 /nfs/dbraw/zinc/07/62/50/1194076250.db2.gz JMYAWJWMNXHHKK-WBVHZDCISA-N 0 3 398.467 0.767 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000419647875 1194076466 /nfs/dbraw/zinc/07/64/66/1194076466.db2.gz RUVXNCDSJPQHCR-YOEHRIQHSA-N 0 3 385.468 0.777 20 0 GCADHN CCc1ccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)s1 ZINC000419651346 1194077110 /nfs/dbraw/zinc/07/71/10/1194077110.db2.gz PDPCPHZGSGMIBB-CYBMUJFWSA-N 0 3 376.486 0.841 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCc2nnnn2CC2CC2)cc1 ZINC000419674982 1194080219 /nfs/dbraw/zinc/08/02/19/1194080219.db2.gz JRVZBZWXUXYMLY-MRXNPFEDSA-N 0 3 385.472 0.639 20 0 GCADHN COc1ccccc1SC[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419681651 1194081409 /nfs/dbraw/zinc/08/14/09/1194081409.db2.gz IROCPGOQFANCGI-KBPBESRZSA-N 0 3 381.498 0.644 20 0 GCADHN CCC[C@@H]1CNCCN1C(=O)C(=O)NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000419693222 1194086172 /nfs/dbraw/zinc/08/61/72/1194086172.db2.gz ZXSZIYSEDWCCHZ-CQSZACIVSA-N 0 3 386.456 0.697 20 0 GCADHN CCC[C@@H]1CNCCN1C(=O)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000419693222 1194086174 /nfs/dbraw/zinc/08/61/74/1194086174.db2.gz ZXSZIYSEDWCCHZ-CQSZACIVSA-N 0 3 386.456 0.697 20 0 GCADHN CCOC(=O)c1csc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)n1 ZINC000419731463 1194090116 /nfs/dbraw/zinc/09/01/16/1194090116.db2.gz LJWLTZJGYUKSJO-QWRGUYRKSA-N 0 3 398.485 0.208 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCCCN1CCOCC1)c1ccc2ccccc2c1 ZINC000419718262 1194092243 /nfs/dbraw/zinc/09/22/43/1194092243.db2.gz CXUZZZSUPSJQOX-LJQANCHMSA-N 0 3 384.480 0.794 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCCCN2CCOCC2)cc1 ZINC000419726015 1194094237 /nfs/dbraw/zinc/09/42/37/1194094237.db2.gz TYSFYPDOJHKODE-GOSISDBHSA-N 0 3 376.501 0.765 20 0 GCADHN CCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)cc1OCC ZINC000419739040 1194099501 /nfs/dbraw/zinc/09/95/01/1194099501.db2.gz JEZGLHFFCJOEPR-DZGCQCFKSA-N 0 3 379.457 0.766 20 0 GCADHN COc1cc(OC)c(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c(OC)c1 ZINC000419737779 1194099685 /nfs/dbraw/zinc/09/96/85/1194099685.db2.gz DEYJTDWRUSXSNT-BXUZGUMPSA-N 0 3 395.456 0.558 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NCC2(N(C)C)CC2)c(OC)c(OC)c1 ZINC000419793484 1194105079 /nfs/dbraw/zinc/10/50/79/1194105079.db2.gz CADYGXJBLQNQQH-UHFFFAOYSA-N 0 3 379.413 0.639 20 0 GCADHN CN(C)C(=O)COc1ccc(NC(=O)C(=O)NCC2(N(C)C)CC2)cc1Cl ZINC000419797479 1194105606 /nfs/dbraw/zinc/10/56/06/1194105606.db2.gz SXLZXWIHXQJFDF-UHFFFAOYSA-N 0 3 396.875 0.956 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000419812299 1194112582 /nfs/dbraw/zinc/11/25/82/1194112582.db2.gz ZIYPPYWWGMBCLP-BLLLJJGKSA-N 0 3 388.468 0.424 20 0 GCADHN CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(N(C)C)CC2)c1 ZINC000419813979 1194112977 /nfs/dbraw/zinc/11/29/77/1194112977.db2.gz OBWRMYRHWBFWHL-UHFFFAOYSA-N 0 3 396.513 0.914 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1)c1ccccc1 ZINC000419914384 1194138027 /nfs/dbraw/zinc/13/80/27/1194138027.db2.gz BUXMXZNPKIXLPO-STQMWFEESA-N 0 3 386.374 0.330 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)c(C)o1 ZINC000419914187 1194138139 /nfs/dbraw/zinc/13/81/39/1194138139.db2.gz BMYZKOQDFGBPAJ-GOSISDBHSA-N 0 3 398.463 0.997 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419916964 1194138581 /nfs/dbraw/zinc/13/85/81/1194138581.db2.gz FNJPSAMGQLDXIW-QGZVFWFLSA-N 0 3 376.501 0.619 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCCN(Cc2cscn2)CC1)c1ccccc1 ZINC000419929592 1194140404 /nfs/dbraw/zinc/14/04/04/1194140404.db2.gz MTDXIVCMDQCDTE-QGZVFWFLSA-N 0 3 387.509 0.994 20 0 GCADHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419937159 1194145113 /nfs/dbraw/zinc/14/51/13/1194145113.db2.gz VOZSNNUCSKZDJG-XHSDSOJGSA-N 0 3 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C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420028833 1194159398 /nfs/dbraw/zinc/15/93/98/1194159398.db2.gz DPAWQJYBZPWKON-VYDXJSESSA-N 0 3 389.500 0.516 20 0 GCADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420028835 1194159679 /nfs/dbraw/zinc/15/96/79/1194159679.db2.gz DPAWQJYBZPWKON-YQQAZPJKSA-N 0 3 389.500 0.516 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000420028152 1194159686 /nfs/dbraw/zinc/15/96/86/1194159686.db2.gz DLNZLTPQWOXAQV-HIFRSBDPSA-N 0 3 378.448 0.704 20 0 GCADHN COc1cc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc(OC)c1 ZINC000420028236 1194159835 /nfs/dbraw/zinc/15/98/35/1194159835.db2.gz DBUIYZKZQFGMRS-MLGOLLRUSA-N 0 3 379.457 0.891 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000420028289 1194159879 /nfs/dbraw/zinc/15/98/79/1194159879.db2.gz DDMCISIDDVFHAZ-NUJGCVRESA-N 0 3 388.512 0.949 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000420029998 1194160136 /nfs/dbraw/zinc/16/01/36/1194160136.db2.gz GDVQXKVKJJZBGU-BXUZGUMPSA-N 0 3 383.880 0.929 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000420030324 1194160477 /nfs/dbraw/zinc/16/04/77/1194160477.db2.gz GIJRGUUQZVHCHU-UAGQMJEPSA-N 0 3 375.469 0.686 20 0 GCADHN COc1ccc2c(c1)CCN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000420033824 1194160855 /nfs/dbraw/zinc/16/08/55/1194160855.db2.gz IXCAUXZELCXINE-GUYCJALGSA-N 0 3 375.469 0.852 20 0 GCADHN CCCCN(C)C(=O)C1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420032742 1194160884 /nfs/dbraw/zinc/16/08/84/1194160884.db2.gz ICDZODZQFCDXPV-HOCLYGCPSA-N 0 3 396.532 0.713 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000420033791 1194161369 /nfs/dbraw/zinc/16/13/69/1194161369.db2.gz IVUWHQJWEMNHPO-NEPJUHHUSA-N 0 3 380.411 0.312 20 0 GCADHN CNC(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000420060327 1194164500 /nfs/dbraw/zinc/16/45/00/1194164500.db2.gz PWPILIIATZVRGH-QZTJIDSGSA-N 0 3 382.464 0.940 20 0 GCADHN COc1cccc2c1CCN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)CC2 ZINC000420039415 1194165508 /nfs/dbraw/zinc/16/55/08/1194165508.db2.gz NXKINLQTTUKLRA-CJNGLKHVSA-N 0 3 375.469 0.852 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000420039517 1194165670 /nfs/dbraw/zinc/16/56/70/1194165670.db2.gz ODNRJJAZVZBVCF-RRFJBIMHSA-N 0 3 380.489 0.077 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000420039519 1194165692 /nfs/dbraw/zinc/16/56/92/1194165692.db2.gz ODNRJJAZVZBVCF-ZNMIVQPWSA-N 0 3 380.489 0.077 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000420040216 1194166427 /nfs/dbraw/zinc/16/64/27/1194166427.db2.gz ONOADGKJDRHTKU-FZMZJTMJSA-N 0 3 391.472 0.882 20 0 GCADHN Cc1csc([C@@H]2COCCN2C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)n1 ZINC000420040947 1194166612 /nfs/dbraw/zinc/16/66/12/1194166612.db2.gz PMTILQTYECLERH-AGIUHOORSA-N 0 3 382.486 0.581 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)n1 ZINC000420042489 1194166773 /nfs/dbraw/zinc/16/67/73/1194166773.db2.gz QVACXUKUGFASRM-AAEUAGOBSA-N 0 3 396.517 0.114 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CCN1CC(F)F ZINC000420042383 1194166880 /nfs/dbraw/zinc/16/68/80/1194166880.db2.gz QMRZNWHSVBBPCL-UPJWGTAASA-N 0 3 376.448 0.404 20 0 GCADHN Cc1csc([C@@H]2COCCN2C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)n1 ZINC000420040948 1194166969 /nfs/dbraw/zinc/16/69/69/1194166969.db2.gz PMTILQTYECLERH-AVGNSLFASA-N 0 3 382.486 0.581 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)n1 ZINC000420042498 1194166978 /nfs/dbraw/zinc/16/69/78/1194166978.db2.gz QVACXUKUGFASRM-YPMHNXCESA-N 0 3 396.517 0.114 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000420041870 1194166993 /nfs/dbraw/zinc/16/69/93/1194166993.db2.gz QFJIYAMKWXGGDT-GDBMZVCRSA-N 0 3 394.541 0.664 20 0 GCADHN Cc1noc(C2(C)CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)n1 ZINC000420040980 1194167001 /nfs/dbraw/zinc/16/70/01/1194167001.db2.gz POOCWBJFUNBGCM-WCQYABFASA-N 0 3 379.461 0.487 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000420045527 1194168070 /nfs/dbraw/zinc/16/80/70/1194168070.db2.gz UVZIDIGLUFRASX-HIFRSBDPSA-N 0 3 380.514 0.622 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)[C@H](CC)CN1C(C)=O ZINC000420045077 1194168165 /nfs/dbraw/zinc/16/81/65/1194168165.db2.gz UJOWAPDXNPXTOM-XZDPQHSOSA-N 0 3 382.505 0.464 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)[C@@H](CC)CN1C(C)=O ZINC000420045075 1194168285 /nfs/dbraw/zinc/16/82/85/1194168285.db2.gz UJOWAPDXNPXTOM-OJLVUWQFSA-N 0 3 382.505 0.464 20 0 GCADHN COC(=O)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000420047969 1194168724 /nfs/dbraw/zinc/16/87/24/1194168724.db2.gz WSQHXLQWHPPYMY-DOMZBBRYSA-N 0 3 377.441 0.661 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000420047926 1194168747 /nfs/dbraw/zinc/16/87/47/1194168747.db2.gz WOFSFHKAVSLKPI-IUODEOHRSA-N 0 3 392.431 0.230 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCCCN1C(=O)CCC1=O)c1ccc2ccccc2c1 ZINC000420047415 1194168768 /nfs/dbraw/zinc/16/87/68/1194168768.db2.gz CPJTYWPDNMLGHS-KRWDZBQOSA-N 0 3 396.447 0.611 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000420047530 1194168824 /nfs/dbraw/zinc/16/88/24/1194168824.db2.gz WEQNOBUGTSZPPT-AVGNSLFASA-N 0 3 394.476 0.071 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000420047925 1194168831 /nfs/dbraw/zinc/16/88/31/1194168831.db2.gz WOFSFHKAVSLKPI-DOMZBBRYSA-N 0 3 392.431 0.230 20 0 GCADHN CC(=O)NCCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420047182 1194168979 /nfs/dbraw/zinc/16/89/79/1194168979.db2.gz WCGKCYHJNDIFKM-DOMZBBRYSA-N 0 3 396.513 0.442 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000420046531 1194169118 /nfs/dbraw/zinc/16/91/18/1194169118.db2.gz AUBNCRVFLSLQSJ-IAGOWNOFSA-N 0 3 381.436 0.192 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCSC[C@H]1c1cnn(C)c1 ZINC000420053064 1194170234 /nfs/dbraw/zinc/17/02/34/1194170234.db2.gz GBUZUDXYOLSLMD-UBHSHLNASA-N 0 3 381.502 0.266 20 0 GCADHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420069312 1194171385 /nfs/dbraw/zinc/17/13/85/1194171385.db2.gz UPJODDQVAXTOEP-JJXSEGSLSA-N 0 3 396.532 0.759 20 0 GCADHN COCCN1CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420069157 1194171461 /nfs/dbraw/zinc/17/14/61/1194171461.db2.gz BFWVJSGJPSJVPL-LJQANCHMSA-N 0 3 384.480 0.746 20 0 GCADHN CNC(=O)NC1CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420068457 1194171637 /nfs/dbraw/zinc/17/16/37/1194171637.db2.gz ZNHFHVJTEWFSDW-SFHVURJKSA-N 0 3 397.479 0.876 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000420070794 1194172011 /nfs/dbraw/zinc/17/20/11/1194172011.db2.gz VUWINPPEEJTXFJ-RHSMWYFYSA-N 0 3 392.475 0.699 20 0 GCADHN COC(=O)c1cc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)oc1C ZINC000420069809 1194172023 /nfs/dbraw/zinc/17/20/23/1194172023.db2.gz UXJXESCCGIKHGM-BXUZGUMPSA-N 0 3 381.429 0.562 20 0 GCADHN CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420072566 1194172533 /nfs/dbraw/zinc/17/25/33/1194172533.db2.gz XMNLUXHXZAMSIC-SOUVJXGZSA-N 0 3 382.505 0.371 20 0 GCADHN CNC(=O)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000420073748 1194172684 /nfs/dbraw/zinc/17/26/84/1194172684.db2.gz YOHVPFVUYLSJQN-IUODEOHRSA-N 0 3 376.457 0.234 20 0 GCADHN CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420079107 1194173856 /nfs/dbraw/zinc/17/38/56/1194173856.db2.gz GZWVQNAPPUFGAV-UHFFFAOYSA-N 0 3 376.457 0.310 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000420066463 1194176156 /nfs/dbraw/zinc/17/61/56/1194176156.db2.gz QSGIUEFTTPWRHR-UAGQMJEPSA-N 0 3 397.516 0.792 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)cs1 ZINC000420065729 1194176397 /nfs/dbraw/zinc/17/63/97/1194176397.db2.gz PXSSKIHWUPWEGE-IUODEOHRSA-N 0 3 395.529 0.325 20 0 GCADHN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000501531981 1194186119 /nfs/dbraw/zinc/18/61/19/1194186119.db2.gz LIZFYSNBMCXNQG-RTBURBONSA-N 0 3 389.544 0.660 20 0 GCADHN CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000420133152 1194190490 /nfs/dbraw/zinc/19/04/90/1194190490.db2.gz ZBRLWKQOGAMVKK-CYBMUJFWSA-N 0 3 394.476 0.321 20 0 GCADHN CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000420133152 1194190495 /nfs/dbraw/zinc/19/04/95/1194190495.db2.gz ZBRLWKQOGAMVKK-CYBMUJFWSA-N 0 3 394.476 0.321 20 0 GCADHN COC[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)CC(C)(C)O1 ZINC000501581251 1194201163 /nfs/dbraw/zinc/20/11/63/1194201163.db2.gz QZCGUCYAMWXWCU-QGZVFWFLSA-N 0 3 386.537 0.212 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000420197567 1194201768 /nfs/dbraw/zinc/20/17/68/1194201768.db2.gz MECMVHHMFKYDIC-INIZCTEOSA-N 0 3 380.876 0.089 20 0 GCADHN CN(CCOc1ccccc1C(C)(C)C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420198368 1194202167 /nfs/dbraw/zinc/20/21/67/1194202167.db2.gz MPYWGPGKFXSEPR-OAHLLOKOSA-N 0 3 377.485 0.926 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000420201417 1194203397 /nfs/dbraw/zinc/20/33/97/1194203397.db2.gz OPAUYFSYIRDEQP-CQSZACIVSA-N 0 3 381.860 0.814 20 0 GCADHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420205194 1194204785 /nfs/dbraw/zinc/20/47/85/1194204785.db2.gz RSKNXINIXFTXFE-KRWDZBQOSA-N 0 3 399.495 0.861 20 0 GCADHN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420205792 1194205580 /nfs/dbraw/zinc/20/55/80/1194205580.db2.gz SGVCUTNADORQRT-YOEHRIQHSA-N 0 3 394.903 0.650 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000420188012 1194206682 /nfs/dbraw/zinc/20/66/82/1194206682.db2.gz CCJIJKZNKUNYSG-KGLIPLIRSA-N 0 3 392.525 0.833 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000420188797 1194206753 /nfs/dbraw/zinc/20/67/53/1194206753.db2.gz CXNJQGGDMFPDFZ-SFHVURJKSA-N 0 3 387.480 0.997 20 0 GCADHN COc1ccc([C@H]2CCCN2C(=O)C(=O)NC[C@H]2CNCCO2)cc1OC ZINC000420190015 1194207072 /nfs/dbraw/zinc/20/70/72/1194207072.db2.gz FKYOIFQBRRIBET-HUUCEWRRSA-N 0 3 377.441 0.472 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000420191764 1194207468 /nfs/dbraw/zinc/20/74/68/1194207468.db2.gz HNHVFYAMBFTWFY-JKSUJKDBSA-N 0 3 399.451 0.895 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC000420210506 1194212133 /nfs/dbraw/zinc/21/21/33/1194212133.db2.gz WJHWQVAZCMNLJD-LJQANCHMSA-N 0 3 382.464 0.758 20 0 GCADHN COc1cccc(C2(F)CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000420211005 1194212740 /nfs/dbraw/zinc/21/27/40/1194212740.db2.gz WUUUUCDSJUOXER-INIZCTEOSA-N 0 3 379.432 0.587 20 0 GCADHN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420213147 1194213391 /nfs/dbraw/zinc/21/33/91/1194213391.db2.gz YLXHKBRFDQIZNZ-HIFRSBDPSA-N 0 3 396.438 0.275 20 0 GCADHN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420214929 1194213829 /nfs/dbraw/zinc/21/38/29/1194213829.db2.gz ZZULJDALSGPAEY-WBVHZDCISA-N 0 3 397.479 0.377 20 0 GCADHN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420214586 1194214265 /nfs/dbraw/zinc/21/42/65/1194214265.db2.gz ZMZSMUZWCVYTMN-IOASZLSFSA-N 0 3 381.860 0.733 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000501745708 1194225177 /nfs/dbraw/zinc/22/51/77/1194225177.db2.gz VRHVKWAYOQAAHY-MSOLQXFVSA-N 0 3 390.484 0.378 20 0 GCADHN COCCN(C(=O)CN1CCNC[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000420391269 1194226430 /nfs/dbraw/zinc/22/64/30/1194226430.db2.gz AMKKKROGWMGAER-QZTJIDSGSA-N 0 3 395.525 0.295 20 0 GCADHN COc1ccc(NC(=O)NC(=O)CN2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420390215 1194226608 /nfs/dbraw/zinc/22/66/08/1194226608.db2.gz ZARDKNMVWYZCEX-HNNXBMFYSA-N 0 3 387.444 0.731 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000420639397 1194252833 /nfs/dbraw/zinc/25/28/33/1194252833.db2.gz QAVSENMNXOKLOD-ZIAGYGMSSA-N 0 3 394.520 0.744 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000501973823 1194254516 /nfs/dbraw/zinc/25/45/16/1194254516.db2.gz HEMUSLQFMWHGNY-UHFFFAOYSA-N 0 3 379.490 0.264 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000420705126 1194256077 /nfs/dbraw/zinc/25/60/77/1194256077.db2.gz JTXWLHMZRPCBCI-HZPDHXFCSA-N 0 3 394.541 0.790 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000420769496 1194263872 /nfs/dbraw/zinc/26/38/72/1194263872.db2.gz JADMYQAKQZCBBD-RBUKOAKNSA-N 0 3 388.512 0.556 20 0 GCADHN COC1([C@@H](C)NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCOCC1 ZINC000420811590 1194265453 /nfs/dbraw/zinc/26/54/53/1194265453.db2.gz UFMNQBDRTZTDFO-HZPDHXFCSA-N 0 3 384.521 0.812 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420918745 1194274881 /nfs/dbraw/zinc/27/48/81/1194274881.db2.gz XOBKAIPQXVDZEE-GOSISDBHSA-N 0 3 382.530 0.524 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(CCC(N)=O)CC1 ZINC000502158589 1194276455 /nfs/dbraw/zinc/27/64/55/1194276455.db2.gz HXQVDQCDQFMCQA-INIZCTEOSA-N 0 3 381.521 0.616 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)N2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)CCCN1C ZINC000502157801 1194276509 /nfs/dbraw/zinc/27/65/09/1194276509.db2.gz DYMASVXLPGATBR-OAGGEKHMSA-N 0 3 384.521 0.763 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)o1 ZINC000502228287 1194282676 /nfs/dbraw/zinc/28/26/76/1194282676.db2.gz CMCONWBHYNWBGF-DLBZAZTESA-N 0 3 390.484 0.748 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000502232613 1194285468 /nfs/dbraw/zinc/28/54/68/1194285468.db2.gz OPHPBLPNVYWXNT-JKSUJKDBSA-N 0 3 392.525 0.908 20 0 GCADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000502266628 1194287468 /nfs/dbraw/zinc/28/74/68/1194287468.db2.gz BUPBIJRTNPUMIL-JKSUJKDBSA-N 0 3 383.514 0.949 20 0 GCADHN Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1S(C)(=O)=O ZINC000268982594 1194288452 /nfs/dbraw/zinc/28/84/52/1194288452.db2.gz PGERUDAJDIHRCO-MRXNPFEDSA-N 0 3 393.509 0.777 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1)c1cccc(OC)c1 ZINC000421064815 1194290908 /nfs/dbraw/zinc/29/09/08/1194290908.db2.gz PMCZQNYCTMWIPJ-CGTJXYLNSA-N 0 3 393.484 0.006 20 0 GCADHN CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983012150 1194292694 /nfs/dbraw/zinc/29/26/94/1194292694.db2.gz HDOUCHTZEUNOHG-IXYNUQLISA-N 0 3 391.472 0.116 20 0 GCADHN CCO[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983012150 1194292698 /nfs/dbraw/zinc/29/26/98/1194292698.db2.gz HDOUCHTZEUNOHG-IXYNUQLISA-N 0 3 391.472 0.116 20 0 GCADHN NS(=O)(=O)N1CCC(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000617978804 1194299286 /nfs/dbraw/zinc/29/92/86/1194299286.db2.gz SAGFUJGEGLWDPT-UHFFFAOYSA-N 0 3 395.529 0.325 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000421168042 1194300834 /nfs/dbraw/zinc/30/08/34/1194300834.db2.gz MBABQZYKCNCINP-QGZVFWFLSA-N 0 3 388.516 0.002 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccccc1O[C@@H]1CC(=O)N1 ZINC000421205726 1194304892 /nfs/dbraw/zinc/30/48/92/1194304892.db2.gz TXMUJXVWDNEYSC-QGZVFWFLSA-N 0 3 376.457 0.896 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](NC(C)=O)C3)c2)CC1 ZINC000421263365 1194317063 /nfs/dbraw/zinc/31/70/63/1194317063.db2.gz PACAKMGDEYLOIQ-KRWDZBQOSA-N 0 3 387.484 0.504 20 0 GCADHN COc1ccc(Cn2ccc(NC(=O)C(=O)N(C)C[C@@H]3CCCN3C)n2)cc1 ZINC000421305058 1194321445 /nfs/dbraw/zinc/32/14/45/1194321445.db2.gz UKESYQUMRZZGDS-INIZCTEOSA-N 0 3 385.468 1.431 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)C1 ZINC000421290207 1194322917 /nfs/dbraw/zinc/32/29/17/1194322917.db2.gz SEKNGVXKOPJWBC-OAHLLOKOSA-N 0 3 396.513 0.022 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C[C@@H](O)CO)C(C)C)c2)CC1 ZINC000421295564 1194324765 /nfs/dbraw/zinc/32/47/65/1194324765.db2.gz BBKJWSPHOUSMAE-GOSISDBHSA-N 0 3 392.500 0.357 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC(CCC(N)=O)CC2)CC1 ZINC000502522922 1194329159 /nfs/dbraw/zinc/32/91/59/1194329159.db2.gz NADACJBAHQIQSY-UHFFFAOYSA-N 0 3 395.548 0.023 20 0 GCADHN COc1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c(OC)c1OC ZINC000421417113 1194338801 /nfs/dbraw/zinc/33/88/01/1194338801.db2.gz OFYAFIFFWACMLA-AWEZNQCLSA-N 0 3 379.457 0.881 20 0 GCADHN NS(=O)(=O)CCOCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000655550595 1194344462 /nfs/dbraw/zinc/34/44/62/1194344462.db2.gz OHKKQKVCTDKADL-KRWDZBQOSA-N 0 3 398.529 0.818 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000421527308 1194345675 /nfs/dbraw/zinc/34/56/75/1194345675.db2.gz YLODXAGYQLNQDC-UHFFFAOYSA-N 0 3 393.532 0.860 20 0 GCADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000421534006 1194346575 /nfs/dbraw/zinc/34/65/75/1194346575.db2.gz AWVQEGMVXLJNLY-HNNXBMFYSA-N 0 3 382.530 0.475 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)NC[C@]1(O)CCN(Cc3ccccc3)C1)CC2 ZINC000607411456 1194349927 /nfs/dbraw/zinc/34/99/27/1194349927.db2.gz NRHZJHILFUKQMT-YLJYHZDGSA-N 0 3 384.484 0.838 20 0 GCADHN COCCOc1ncccc1CNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000421675945 1194355958 /nfs/dbraw/zinc/35/59/58/1194355958.db2.gz MRAONTDZPCPIGX-INIZCTEOSA-N 0 3 378.473 0.664 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000502841373 1194360160 /nfs/dbraw/zinc/36/01/60/1194360160.db2.gz NCNPDYUNCQLXTI-YPMHNXCESA-N 0 3 377.836 0.759 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000502832680 1194361224 /nfs/dbraw/zinc/36/12/24/1194361224.db2.gz ISLHLNUURRRBGA-HUUCEWRRSA-N 0 3 382.486 0.380 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000502866048 1194364370 /nfs/dbraw/zinc/36/43/70/1194364370.db2.gz LCHFZBDXQCMJAX-ZIAGYGMSSA-N 0 3 382.486 0.346 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000502866045 1194364408 /nfs/dbraw/zinc/36/44/08/1194364408.db2.gz LCHFZBDXQCMJAX-KBPBESRZSA-N 0 3 382.486 0.346 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000502926984 1194368028 /nfs/dbraw/zinc/36/80/28/1194368028.db2.gz VHXSJBLWKYYJLB-HOCLYGCPSA-N 0 3 385.534 0.809 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN3CC[C@@H]4OCCN[C@H]4C3)CC2)cc1 ZINC000584236667 1194370456 /nfs/dbraw/zinc/37/04/56/1194370456.db2.gz RQOSGCWURVXWPA-PMACEKPBSA-N 0 3 388.512 0.402 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000422101533 1194385383 /nfs/dbraw/zinc/38/53/83/1194385383.db2.gz FBWIPDWYRCOSOH-INIZCTEOSA-N 0 3 382.468 0.840 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@](C)(C(=O)OC)C2)CC1 ZINC000422084854 1194387679 /nfs/dbraw/zinc/38/76/79/1194387679.db2.gz LJJIWJYUHDMCRW-OXQOHEQNSA-N 0 3 396.532 0.178 20 0 GCADHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000422088216 1194388289 /nfs/dbraw/zinc/38/82/89/1194388289.db2.gz RXTCHRUMTGCJCZ-RCCFBDPRSA-N 0 3 382.549 0.840 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2(COC)CCCC2)CC1 ZINC000422091055 1194388834 /nfs/dbraw/zinc/38/88/34/1194388834.db2.gz WCYGNIBAWXMOLS-KRWDZBQOSA-N 0 3 382.549 0.699 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000422111506 1194392872 /nfs/dbraw/zinc/39/28/72/1194392872.db2.gz DFRDZFKHSUPGAS-AEFFLSMTSA-N 0 3 375.469 0.845 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000422118906 1194394941 /nfs/dbraw/zinc/39/49/41/1194394941.db2.gz RIOQCVASRNRMAV-FOIQADDNSA-N 0 3 396.532 0.461 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)oc1C ZINC000422134003 1194397356 /nfs/dbraw/zinc/39/73/56/1194397356.db2.gz JDVBQLJHVPPZNC-INIZCTEOSA-N 0 3 377.489 0.488 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000422140911 1194398128 /nfs/dbraw/zinc/39/81/28/1194398128.db2.gz OTSWEDXGIDKIKI-HZPDHXFCSA-N 0 3 399.532 0.849 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000422140905 1194398214 /nfs/dbraw/zinc/39/82/14/1194398214.db2.gz OTSWEDXGIDKIKI-CVEARBPZSA-N 0 3 399.532 0.849 20 0 GCADHN CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422140089 1194398336 /nfs/dbraw/zinc/39/83/36/1194398336.db2.gz OBLWTNHXYPOFGX-ROUUACIJSA-N 0 3 377.485 0.575 20 0 GCADHN CC(C)N(C[C@H](O)CO)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000422140795 1194398691 /nfs/dbraw/zinc/39/86/91/1194398691.db2.gz CWYWUQQZTVSIMM-FQEVSTJZSA-N 0 3 392.544 0.968 20 0 GCADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCC(N)=O ZINC000271705035 1194405532 /nfs/dbraw/zinc/40/55/32/1194405532.db2.gz MDVDEBDUZXQDGF-MRXNPFEDSA-N 0 3 398.467 0.569 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000271723673 1194407260 /nfs/dbraw/zinc/40/72/60/1194407260.db2.gz YJQIVFKITIUNCB-CYBMUJFWSA-N 0 3 378.477 0.726 20 0 GCADHN COC(=O)CNC(=O)[C@H](C)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000271759905 1194410709 /nfs/dbraw/zinc/41/07/09/1194410709.db2.gz MFYONZVFIGXAAE-OLZOCXBDSA-N 0 3 377.441 0.672 20 0 GCADHN COC(=O)CCN1CCN(C[C@H](O)COc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000271785987 1194412083 /nfs/dbraw/zinc/41/20/83/1194412083.db2.gz SYVVPTKJMBUCQW-QAPCUYQASA-N 0 3 393.484 0.954 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnc3scc(C)n3c2=O)CC1 ZINC000271821283 1194415677 /nfs/dbraw/zinc/41/56/77/1194415677.db2.gz CVYPIBDKHZDBFK-UHFFFAOYSA-N 0 3 391.497 0.691 20 0 GCADHN CS[C@H]1CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C[C@H]1N(C)C ZINC000271850476 1194417815 /nfs/dbraw/zinc/41/78/15/1194417815.db2.gz VZUTXDVQLVDGHK-CABCVRRESA-N 0 3 376.482 0.856 20 0 GCADHN O=C(NCC(=O)N1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000271889306 1194421141 /nfs/dbraw/zinc/42/11/41/1194421141.db2.gz CAAPLLUXDJMWRA-MSOLQXFVSA-N 0 3 390.484 0.027 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272267718 1194445765 /nfs/dbraw/zinc/44/57/65/1194445765.db2.gz BHYPITJQWITIHF-VBQJREDUSA-N 0 3 381.498 0.915 20 0 GCADHN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272274771 1194445875 /nfs/dbraw/zinc/44/58/75/1194445875.db2.gz BZWNFNPCMOIKTB-PBHICJAKSA-N 0 3 387.484 0.678 20 0 GCADHN COc1ccc(C(=O)NCCN2CCN(C(=O)[C@H](N)CCSC)CC2)cc1 ZINC000272407268 1194457499 /nfs/dbraw/zinc/45/74/99/1194457499.db2.gz DXKJWMOCYNYOOH-QGZVFWFLSA-N 0 3 394.541 0.650 20 0 GCADHN CCN1CCCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000272482467 1194465698 /nfs/dbraw/zinc/46/56/98/1194465698.db2.gz QSLIMOVPQMFQIA-WBVHZDCISA-N 0 3 383.514 0.577 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C(=O)OC)ccc2F)CC1 ZINC000041640095 1194466884 /nfs/dbraw/zinc/46/68/84/1194466884.db2.gz JGPZRGNOBPPKRN-CYBMUJFWSA-N 0 3 394.447 0.693 20 0 GCADHN COc1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1OC ZINC000272558441 1194473226 /nfs/dbraw/zinc/47/32/26/1194473226.db2.gz LKJRJQCTDICFRM-OLZOCXBDSA-N 0 3 385.486 0.581 20 0 GCADHN COc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000272563741 1194473787 /nfs/dbraw/zinc/47/37/87/1194473787.db2.gz MADNNLCNMKDJCR-ZIAGYGMSSA-N 0 3 397.497 0.539 20 0 GCADHN Cc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000272587043 1194476400 /nfs/dbraw/zinc/47/64/00/1194476400.db2.gz OVMZOBHCZZGAMC-CABCVRRESA-N 0 3 381.498 0.838 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000272713751 1194490432 /nfs/dbraw/zinc/49/04/32/1194490432.db2.gz VXSUROGICHSWKV-UHFFFAOYSA-N 0 3 376.457 0.556 20 0 GCADHN O=C(NCCN1CCNC(=O)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000272727950 1194492695 /nfs/dbraw/zinc/49/26/95/1194492695.db2.gz YZJOVRDUTRBHID-SFHVURJKSA-N 0 3 398.429 0.989 20 0 GCADHN CC(C)[C@@H](CO)NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000272752810 1194496397 /nfs/dbraw/zinc/49/63/97/1194496397.db2.gz MOZZASOPFGHHBN-MRXNPFEDSA-N 0 3 385.486 0.253 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)OC ZINC000272821707 1194506232 /nfs/dbraw/zinc/50/62/32/1194506232.db2.gz GRLLYSXQIZYPQB-UHFFFAOYSA-N 0 3 387.383 0.727 20 0 GCADHN COC[C@@H](CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)OC ZINC000272983918 1194526892 /nfs/dbraw/zinc/52/68/92/1194526892.db2.gz RUUMIVNJZVEBLA-QGZVFWFLSA-N 0 3 395.525 0.994 20 0 GCADHN C[C@H](CN1CCOCC1)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000273042092 1194533365 /nfs/dbraw/zinc/53/33/65/1194533365.db2.gz GIOGTPNMJZHLNB-RLLQIKCJSA-N 0 3 375.513 0.954 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)c2cccc(OC)c2)CC1 ZINC000273047162 1194533663 /nfs/dbraw/zinc/53/36/63/1194533663.db2.gz IWIPZDJDAXIJOY-UHFFFAOYSA-N 0 3 390.484 0.438 20 0 GCADHN COc1cccc(C(=O)NCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000273049950 1194534455 /nfs/dbraw/zinc/53/44/55/1194534455.db2.gz JOAWQOYTKBHRDL-QGZVFWFLSA-N 0 3 388.468 0.190 20 0 GCADHN C[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)C1=CCN(C)CC1 ZINC000273069339 1194535917 /nfs/dbraw/zinc/53/59/17/1194535917.db2.gz ZIRKPWWAVZEESF-HNNXBMFYSA-N 0 3 377.489 0.113 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000273085379 1194537888 /nfs/dbraw/zinc/53/78/88/1194537888.db2.gz RMUIJIDDFVDYHY-DLBZAZTESA-N 0 3 383.470 0.828 20 0 GCADHN C[C@@]1(NCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CCO[C@H]1C1CC1 ZINC000273101418 1194539183 /nfs/dbraw/zinc/53/91/83/1194539183.db2.gz VTJUOKDHCUMZLR-ZWKOTPCHSA-N 0 3 379.482 0.770 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000273217616 1194547257 /nfs/dbraw/zinc/54/72/57/1194547257.db2.gz CNPCVEYUZSRKKT-SJORKVTESA-N 0 3 390.484 0.922 20 0 GCADHN CNS(=O)(=O)CCCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000637671756 1194549691 /nfs/dbraw/zinc/54/96/91/1194549691.db2.gz SSKVKJXAVWEBKY-UHFFFAOYSA-N 0 3 392.472 0.977 20 0 GCADHN Cc1ccc(NC(=O)CN[C@@H](CC(N)=O)C2CCCCC2)cc1S(N)(=O)=O ZINC000273271018 1194551136 /nfs/dbraw/zinc/55/11/36/1194551136.db2.gz JLOLAQLCQSWOFK-HNNXBMFYSA-N 0 3 396.513 0.995 20 0 GCADHN Cc1ccc(NC(=O)CN[C@H](CC(N)=O)C2CCCCC2)cc1S(N)(=O)=O ZINC000273271019 1194551401 /nfs/dbraw/zinc/55/14/01/1194551401.db2.gz JLOLAQLCQSWOFK-OAHLLOKOSA-N 0 3 396.513 0.995 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000273318015 1194554412 /nfs/dbraw/zinc/55/44/12/1194554412.db2.gz OTURKCXMJPFATO-HNNXBMFYSA-N 0 3 394.497 0.666 20 0 GCADHN COC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000273332244 1194555538 /nfs/dbraw/zinc/55/55/38/1194555538.db2.gz PMWSGZCUVIBLBK-LLVKDONJSA-N 0 3 392.412 0.162 20 0 GCADHN C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 ZINC000273370470 1194558617 /nfs/dbraw/zinc/55/86/17/1194558617.db2.gz FADGCGSWEQHDHO-PBHICJAKSA-N 0 3 397.497 0.803 20 0 GCADHN CN1CCN(CCCNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000273401592 1194561058 /nfs/dbraw/zinc/56/10/58/1194561058.db2.gz KOPBOPPCPUANQZ-HXUWFJFHSA-N 0 3 387.484 0.207 20 0 GCADHN COC[C@@H](NCC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)C1CC1 ZINC000273437479 1194563878 /nfs/dbraw/zinc/56/38/78/1194563878.db2.gz VMBPFLNGYGZZEJ-BEFAXECRSA-N 0 3 390.440 0.508 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000422255485 1194594566 /nfs/dbraw/zinc/59/45/66/1194594566.db2.gz DEDBPOQDJFQKHT-CABCVRRESA-N 0 3 395.525 0.943 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000422270789 1194597348 /nfs/dbraw/zinc/59/73/48/1194597348.db2.gz PAWMGKZVISHPLH-HNNXBMFYSA-N 0 3 381.498 0.519 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000422290362 1194604321 /nfs/dbraw/zinc/60/43/21/1194604321.db2.gz DGTLGQQWHSQNIF-IAGOWNOFSA-N 0 3 378.517 0.740 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H](CC)O1 ZINC000422294362 1194606290 /nfs/dbraw/zinc/60/62/90/1194606290.db2.gz MKPXVXGIONBBCP-IXDOHACOSA-N 0 3 396.532 0.461 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(OC)cn2)CC1 ZINC000422298765 1194608002 /nfs/dbraw/zinc/60/80/02/1194608002.db2.gz AURUSAFVVISBMB-INIZCTEOSA-N 0 3 389.500 0.729 20 0 GCADHN CCCN1C[C@H](CNC(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1=O ZINC000422320634 1194612657 /nfs/dbraw/zinc/61/26/57/1194612657.db2.gz VXZZVUANJHNVRC-AEFFLSMTSA-N 0 3 388.512 0.998 20 0 GCADHN CCc1cc(N2CCC[C@H](NC(=O)C(=O)N(C)C[C@H]3CCCN3C)C2)ncn1 ZINC000422325025 1194614516 /nfs/dbraw/zinc/61/45/16/1194614516.db2.gz JGUPBDFITKZRQG-DLBZAZTESA-N 0 3 388.516 0.677 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000422308215 1194616475 /nfs/dbraw/zinc/61/64/75/1194616475.db2.gz IIQKVXLPOUJBDL-MRXNPFEDSA-N 0 3 390.484 0.808 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000422308213 1194616582 /nfs/dbraw/zinc/61/65/82/1194616582.db2.gz IIQKVXLPOUJBDL-INIZCTEOSA-N 0 3 390.484 0.808 20 0 GCADHN CC(C)(C)C[C@@H]1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000422329879 1194617758 /nfs/dbraw/zinc/61/77/58/1194617758.db2.gz UXSTUZDHBXKAGC-SFHVURJKSA-N 0 3 396.576 0.777 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000422336653 1194619566 /nfs/dbraw/zinc/61/95/66/1194619566.db2.gz HNBBCUVHQIOSNN-HOCLYGCPSA-N 0 3 385.472 0.781 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000422389881 1194633104 /nfs/dbraw/zinc/63/31/04/1194633104.db2.gz ZRLHQTWFLBNRGJ-IRXDYDNUSA-N 0 3 378.517 0.836 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C1 ZINC000422391021 1194633495 /nfs/dbraw/zinc/63/34/95/1194633495.db2.gz SVXHEKBXXJAPHK-HOTGVXAUSA-N 0 3 376.505 0.446 20 0 GCADHN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(C)C[C@H]3CCCN3C)C2=O)cc1 ZINC000422393309 1194634873 /nfs/dbraw/zinc/63/48/73/1194634873.db2.gz CSHDUCWNOOFUBL-MSOLQXFVSA-N 0 3 386.496 0.765 20 0 GCADHN CC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000422395195 1194635186 /nfs/dbraw/zinc/63/51/86/1194635186.db2.gz FNSFIOTYOXEXEM-RBUKOAKNSA-N 0 3 388.512 0.996 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCCN2C)C1=O ZINC000422426565 1194638170 /nfs/dbraw/zinc/63/81/70/1194638170.db2.gz BRTSAXZXBULXBS-CABCVRRESA-N 0 3 390.488 0.067 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000422443280 1194641831 /nfs/dbraw/zinc/64/18/31/1194641831.db2.gz XEMDXUXESGENET-HNNXBMFYSA-N 0 3 392.525 0.956 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C2CC2)C2CCC2)CC1 ZINC000422466089 1194645701 /nfs/dbraw/zinc/64/57/01/1194645701.db2.gz OASZZSSAPUEARQ-IAGOWNOFSA-N 0 3 376.501 0.446 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc1C ZINC000422469792 1194647115 /nfs/dbraw/zinc/64/71/15/1194647115.db2.gz DUYIYEDBDVTSKK-UHFFFAOYSA-N 0 3 387.484 0.081 20 0 GCADHN CCn1ccc(CNC(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000422496269 1194652447 /nfs/dbraw/zinc/65/24/47/1194652447.db2.gz QYYPUFILWHQGNR-HZPDHXFCSA-N 0 3 391.516 0.867 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000422522063 1194660328 /nfs/dbraw/zinc/66/03/28/1194660328.db2.gz VETYNIPRDWZKLV-IAGOWNOFSA-N 0 3 390.459 0.988 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)NCc2ccccc2S(C)(=O)=O)CC1 ZINC000422531808 1194663381 /nfs/dbraw/zinc/66/33/81/1194663381.db2.gz PILBEXMZHBLQGU-UHFFFAOYSA-N 0 3 381.498 0.649 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@](C)(OC)C2CC2)CC1 ZINC000422535583 1194664190 /nfs/dbraw/zinc/66/41/90/1194664190.db2.gz WGGQKECZAWURAV-YWZLYKJASA-N 0 3 396.532 0.319 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCCOC[C@@H]2CCCO2)CC1 ZINC000503439980 1194667954 /nfs/dbraw/zinc/66/79/54/1194667954.db2.gz XDFSYWYLRCDOLS-KRWDZBQOSA-N 0 3 382.505 0.522 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H](CC(C)C)OC)CC1 ZINC000422578155 1194671046 /nfs/dbraw/zinc/67/10/46/1194671046.db2.gz VRWYMNFTVQJTMK-HNNXBMFYSA-N 0 3 378.473 0.916 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)o1 ZINC000422583747 1194672140 /nfs/dbraw/zinc/67/21/40/1194672140.db2.gz CYQNUJMFNNWDIS-CQSZACIVSA-N 0 3 386.443 0.934 20 0 GCADHN CCCN1C[C@@H](CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1=O ZINC000422609115 1194674602 /nfs/dbraw/zinc/67/46/02/1194674602.db2.gz WFLYGSBFNWYRIA-SJORKVTESA-N 0 3 378.517 0.838 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccccc1CS(C)(=O)=O ZINC000664323487 1194688802 /nfs/dbraw/zinc/68/88/02/1194688802.db2.gz YWJNAYUSLMPXMC-UHFFFAOYSA-N 0 3 398.529 0.393 20 0 GCADHN NC(=O)c1cnn2c1nccc2C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000503555641 1194694667 /nfs/dbraw/zinc/69/46/67/1194694667.db2.gz JXCBRWDAEMQUIF-FQEVSTJZSA-N 0 3 394.435 0.195 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(C(=O)OC)ccc2F)CC1 ZINC000041718023 1194697493 /nfs/dbraw/zinc/69/74/93/1194697493.db2.gz ZQMFOSXMABPVPR-UHFFFAOYSA-N 0 3 380.420 0.305 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1N ZINC000414695278 1194701019 /nfs/dbraw/zinc/70/10/19/1194701019.db2.gz FEDJCQIVLQMMCH-QGZVFWFLSA-N 0 3 398.463 0.751 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)OC)c(C)c2)CC1 ZINC000503645249 1194703769 /nfs/dbraw/zinc/70/37/69/1194703769.db2.gz VIRKAZMALXVGSE-OAHLLOKOSA-N 0 3 390.484 0.862 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](N)C3CCC3)CC2)cc1 ZINC000422936479 1194709981 /nfs/dbraw/zinc/70/99/81/1194709981.db2.gz IGTHNOLAAURVFI-KRWDZBQOSA-N 0 3 379.482 0.850 20 0 GCADHN COc1ccc(NC(=O)[C@@H](N)C2CCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000422921197 1194710828 /nfs/dbraw/zinc/71/08/28/1194710828.db2.gz NQTJWJFUFBIWLX-INIZCTEOSA-N 0 3 383.470 0.782 20 0 GCADHN CCO[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C12CCCC2 ZINC000503702035 1194711447 /nfs/dbraw/zinc/71/14/47/1194711447.db2.gz HSNJDIRKFGWXOL-MSOLQXFVSA-N 0 3 394.560 0.936 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000414707496 1194711467 /nfs/dbraw/zinc/71/14/67/1194711467.db2.gz MPUBVTNYDXVEJK-UHFFFAOYSA-N 0 3 375.425 0.909 20 0 GCADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000549963629 1194714800 /nfs/dbraw/zinc/71/48/00/1194714800.db2.gz IHYRFLHOTDZOSZ-UHFFFAOYSA-N 0 3 379.505 0.988 20 0 GCADHN N[C@H](C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CCC1 ZINC000423039816 1194721295 /nfs/dbraw/zinc/72/12/95/1194721295.db2.gz RTOJNYBHHAOGRY-WBVHZDCISA-N 0 3 381.498 0.888 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CC[C@@H](Cc4ccccc4)C3)C2)nn1 ZINC000423105873 1194730153 /nfs/dbraw/zinc/73/01/53/1194730153.db2.gz CPNYNLHWGLPTDG-HKUYNNGSSA-N 0 3 396.495 0.992 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](N)CC2CCCCC2)c1 ZINC000423145794 1194730770 /nfs/dbraw/zinc/73/07/70/1194730770.db2.gz MMAMNCSTZLIASF-INIZCTEOSA-N 0 3 396.513 0.947 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000141546342 1194732109 /nfs/dbraw/zinc/73/21/09/1194732109.db2.gz DIFULHHMRUXUNR-AWEZNQCLSA-N 0 3 377.514 0.809 20 0 GCADHN Cc1noc([C@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C2CCOCC2)n1 ZINC000503946003 1194736069 /nfs/dbraw/zinc/73/60/69/1194736069.db2.gz KTSFZMDEFBDZMP-GOEBONIOSA-N 0 3 379.461 0.372 20 0 GCADHN COc1ccc2c(c1)CN(C(=O)C(=O)N1CCC[C@H](n3cc(CN)nn3)C1)CC2 ZINC000423193325 1194738240 /nfs/dbraw/zinc/73/82/40/1194738240.db2.gz XCYUVBGQFXFLGX-KRWDZBQOSA-N 0 3 398.467 0.494 20 0 GCADHN CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000414735805 1194751745 /nfs/dbraw/zinc/75/17/45/1194751745.db2.gz HBVLYZYMWFDFHM-UHFFFAOYSA-N 0 3 396.447 0.882 20 0 GCADHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)NCCCc2nnc[nH]2)CC1 ZINC000664347648 1194752111 /nfs/dbraw/zinc/75/21/11/1194752111.db2.gz JKGYTRBXBWSUTQ-UHFFFAOYSA-N 0 3 379.509 0.663 20 0 GCADHN CCOC(=O)Cn1cc(CN[C@H]2CC(=O)N(C(C)C)C2)c(-c2cnn(C)c2)n1 ZINC000894281722 1194757132 /nfs/dbraw/zinc/75/71/32/1194757132.db2.gz ZLWGDBICGQKGBX-INIZCTEOSA-N 0 3 388.472 0.946 20 0 GCADHN NCC(=O)N1CCC[C@H](CN2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC000414746640 1194758580 /nfs/dbraw/zinc/75/85/80/1194758580.db2.gz LVPNOQFZBKADES-CQSZACIVSA-N 0 3 380.439 0.920 20 0 GCADHN COCCN(C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[C@H]1CC[C@@H](C)C1 ZINC000423523940 1194763083 /nfs/dbraw/zinc/76/30/83/1194763083.db2.gz JACORGYBTQAOOG-PVAVHDDUSA-N 0 3 392.504 0.564 20 0 GCADHN CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)N1CCCNCC1 ZINC000423606437 1194772351 /nfs/dbraw/zinc/77/23/51/1194772351.db2.gz IGMYTLMCCHHGPK-UHFFFAOYSA-N 0 3 397.497 0.139 20 0 GCADHN CC(C)(C)c1nc(CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)cs1 ZINC000423616087 1194773870 /nfs/dbraw/zinc/77/38/70/1194773870.db2.gz VNPDACMVNRYFJO-UHFFFAOYSA-N 0 3 393.557 0.907 20 0 GCADHN C[C@H]1CNCCN1C(=O)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000423615731 1194773978 /nfs/dbraw/zinc/77/39/78/1194773978.db2.gz ZGULPRXIQWDMPD-AWEZNQCLSA-N 0 3 382.468 0.998 20 0 GCADHN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423618873 1194774356 /nfs/dbraw/zinc/77/43/56/1194774356.db2.gz ZGRQLNHKKKLUAL-UHFFFAOYSA-N 0 3 391.447 0.760 20 0 GCADHN Cc1ccc(CNC(=O)C2CCN(C(=O)C(=O)N3CCCNCC3)CC2)cc1 ZINC000423617892 1194774374 /nfs/dbraw/zinc/77/43/74/1194774374.db2.gz YCSSOHMGJOQRJR-UHFFFAOYSA-N 0 3 386.496 0.672 20 0 GCADHN CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H](N)C2)C[C@@H](C)S1(=O)=O ZINC000423650659 1194779303 /nfs/dbraw/zinc/77/93/03/1194779303.db2.gz LPENVIDTTBJCPA-BSWAZPDLSA-N 0 3 393.509 0.364 20 0 GCADHN C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000423664551 1194781525 /nfs/dbraw/zinc/78/15/25/1194781525.db2.gz IPKPJNHXOZOPCS-AWEZNQCLSA-N 0 3 388.468 0.262 20 0 GCADHN CCC[C@H]1CNCCN1C(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000423724505 1194789321 /nfs/dbraw/zinc/78/93/21/1194789321.db2.gz RLXNNXSRESUXCH-IBGZPJMESA-N 0 3 394.560 0.938 20 0 GCADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)[C@H]1CN ZINC000423744107 1194791160 /nfs/dbraw/zinc/79/11/60/1194791160.db2.gz WALHSFCGGIRCTJ-CABCVRRESA-N 0 3 385.530 0.532 20 0 GCADHN C[C@H]1CCCN(C(=O)C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)[C@@H]1CN ZINC000423744122 1194791259 /nfs/dbraw/zinc/79/12/59/1194791259.db2.gz WALHSFCGGIRCTJ-LSDHHAIUSA-N 0 3 385.530 0.532 20 0 GCADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000423749262 1194791893 /nfs/dbraw/zinc/79/18/93/1194791893.db2.gz SHIOVNMATITAEP-GOSISDBHSA-N 0 3 380.533 0.548 20 0 GCADHN O=C(CN1CSCC1=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000504519346 1194796809 /nfs/dbraw/zinc/79/68/09/1194796809.db2.gz PCTAYUVOSPJQJG-UHFFFAOYSA-N 0 3 390.509 0.661 20 0 GCADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000504527185 1194797057 /nfs/dbraw/zinc/79/70/57/1194797057.db2.gz XFWYPDCWSZALOO-KRWDZBQOSA-N 0 3 393.509 0.563 20 0 GCADHN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NC[C@H]1CNCCO1 ZINC000423991707 1194797438 /nfs/dbraw/zinc/79/74/38/1194797438.db2.gz MVVNGRNXSRNKQP-HZPDHXFCSA-N 0 3 381.498 0.408 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000423995021 1194797705 /nfs/dbraw/zinc/79/77/05/1194797705.db2.gz UBOFEZRJHRISME-INIZCTEOSA-N 0 3 381.498 0.500 20 0 GCADHN CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000414768867 1194798464 /nfs/dbraw/zinc/79/84/64/1194798464.db2.gz IYEOFRJYAMSTNW-CQSZACIVSA-N 0 3 388.468 0.872 20 0 GCADHN CCNC(=O)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504643321 1194802626 /nfs/dbraw/zinc/80/26/26/1194802626.db2.gz XVYCOOGWYUJENM-UHFFFAOYSA-N 0 3 375.473 0.408 20 0 GCADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000504776010 1194805518 /nfs/dbraw/zinc/80/55/18/1194805518.db2.gz PHMZPUMTGHAXSQ-HFSMHLIXSA-N 0 3 386.496 0.980 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000664388003 1194811097 /nfs/dbraw/zinc/81/10/97/1194811097.db2.gz XNCPNUBCHZCQQX-AWEZNQCLSA-N 0 3 380.468 0.461 20 0 GCADHN COc1cc(OC)cc(N2CC[C@H](CNC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)C2)c1 ZINC000664394269 1194823334 /nfs/dbraw/zinc/82/33/34/1194823334.db2.gz MNSANPZPLMGART-CCKFTAQKSA-N 0 3 392.500 0.846 20 0 GCADHN COC(=O)c1cn(CCNC(=O)N(CCN(C)C)Cc2ccccc2F)nn1 ZINC000505018400 1194824390 /nfs/dbraw/zinc/82/43/90/1194824390.db2.gz JZPXNGMKLCKSBI-UHFFFAOYSA-N 0 3 392.435 0.977 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC)c(N)c2)CC1 ZINC000414802166 1194826964 /nfs/dbraw/zinc/82/69/64/1194826964.db2.gz BGFIBRGDJDLSCC-UHFFFAOYSA-N 0 3 391.472 0.229 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCCc3ncn(C)n3)c2)CC1 ZINC000505087893 1194827080 /nfs/dbraw/zinc/82/70/80/1194827080.db2.gz SOXGRWZBHZNZFC-UHFFFAOYSA-N 0 3 399.499 0.643 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCCCOCCO)c2)CC1 ZINC000505323281 1194833924 /nfs/dbraw/zinc/83/39/24/1194833924.db2.gz RNBNGXCSKZFHEV-UHFFFAOYSA-N 0 3 392.500 0.671 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccc(OCC(=O)OC)c2)CC1 ZINC000505361991 1194835938 /nfs/dbraw/zinc/83/59/38/1194835938.db2.gz JOPRMOYWOMKCEE-UHFFFAOYSA-N 0 3 391.468 0.865 20 0 GCADHN CN(CC(=O)Nc1ccc(OC2CCN(C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000434359497 1194841537 /nfs/dbraw/zinc/84/15/37/1194841537.db2.gz LNGFMVIPZVOODO-OAHLLOKOSA-N 0 3 396.513 0.612 20 0 GCADHN CN(C[C@H](O)CN1CCOCC1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000434481244 1194847414 /nfs/dbraw/zinc/84/74/14/1194847414.db2.gz CSVUDGWEGLOQLM-FQEVSTJZSA-N 0 3 390.528 0.350 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000332933610 1194861591 /nfs/dbraw/zinc/86/15/91/1194861591.db2.gz UQTAGYSPZTWSFI-XJKSGUPXSA-N 0 3 397.501 0.314 20 0 GCADHN COc1cccc(COC[C@H](O)CN2CCC([C@H](O)C(=O)NC3CC3)CC2)c1 ZINC000434718224 1194863491 /nfs/dbraw/zinc/86/34/91/1194863491.db2.gz OSRUDOXECXRQII-QUCCMNQESA-N 0 3 392.496 0.924 20 0 GCADHN COCCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000430112308 1194866074 /nfs/dbraw/zinc/86/60/74/1194866074.db2.gz CHNDBRUOANYQRA-KRWDZBQOSA-N 0 3 381.498 0.113 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000664448343 1194869767 /nfs/dbraw/zinc/86/97/67/1194869767.db2.gz PGJNAWCGAUHJQY-INIZCTEOSA-N 0 3 381.521 0.439 20 0 GCADHN C=C(Cl)C(=O)N1CCn2c(nnc2C(=O)NC2CCN(C)CC2)C[C@@H]1C ZINC001269881465 1194878311 /nfs/dbraw/zinc/87/83/11/1194878311.db2.gz CDDARFIWMPSCFY-NSHDSACASA-N 0 3 380.880 0.628 20 0 GCADHN CNc1nc(N2CCC[C@@H]2CC(=O)OC)nc(N2CCC[C@H]2CC(=O)OC)n1 ZINC000434953060 1194879532 /nfs/dbraw/zinc/87/95/32/1194879532.db2.gz YOQDSPUIRQSGNF-BETUJISGSA-N 0 3 392.460 0.399 20 0 GCADHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCNC(=O)c2cnccn2)C1 ZINC000434997852 1194882340 /nfs/dbraw/zinc/88/23/40/1194882340.db2.gz XWIMLWPJJCVNQR-QGZVFWFLSA-N 0 3 397.483 0.765 20 0 GCADHN COc1cc(CN(C)[C@H](C)CN2CCOCC2)cc(OC)c1OCC(N)=O ZINC000435058269 1194885694 /nfs/dbraw/zinc/88/56/94/1194885694.db2.gz LZNFAYNTFNNBAB-CQSZACIVSA-N 0 3 381.473 0.720 20 0 GCADHN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)CC1 ZINC000435105017 1194889822 /nfs/dbraw/zinc/88/98/22/1194889822.db2.gz IWVUSISKGCPSIK-PBHICJAKSA-N 0 3 390.484 0.535 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000514684651 1194892640 /nfs/dbraw/zinc/89/26/40/1194892640.db2.gz YNLLRTWKDDZOHN-KBPBESRZSA-N 0 3 388.459 0.597 20 0 GCADHN CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000435187036 1194896280 /nfs/dbraw/zinc/89/62/80/1194896280.db2.gz HFDYOGXROBGQOF-XJKSGUPXSA-N 0 3 380.489 0.570 20 0 GCADHN CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000435187033 1194896347 /nfs/dbraw/zinc/89/63/47/1194896347.db2.gz HFDYOGXROBGQOF-BBRMVZONSA-N 0 3 380.489 0.570 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CCCC(=O)N3)cn2)CC1 ZINC000435206280 1194901046 /nfs/dbraw/zinc/90/10/46/1194901046.db2.gz GYTQIJPCUVGMCW-ZDUSSCGKSA-N 0 3 389.456 0.278 20 0 GCADHN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000514748010 1194902956 /nfs/dbraw/zinc/90/29/56/1194902956.db2.gz VAINCYACQYKIEW-NVXWUHKLSA-N 0 3 376.501 0.590 20 0 GCADHN COc1ccc(-c2nnc(SCC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)o2)cc1 ZINC000514758185 1194904224 /nfs/dbraw/zinc/90/42/24/1194904224.db2.gz HLVQUOGCUFRRSE-KBPBESRZSA-N 0 3 378.454 0.971 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C(C)=O)c(O)c2)CC1=O ZINC000425308391 1194904667 /nfs/dbraw/zinc/90/46/67/1194904667.db2.gz BSQREOKWOLNZOR-HNNXBMFYSA-N 0 3 377.441 0.504 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000505634134 1194904743 /nfs/dbraw/zinc/90/47/43/1194904743.db2.gz RAJPMTYAPJUOCG-GRDNDAEWSA-N 0 3 393.513 0.895 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccccc2NC(C)=O)CC1=O ZINC000425308544 1194904929 /nfs/dbraw/zinc/90/49/29/1194904929.db2.gz CGSZKJFWMZZWOQ-KRWDZBQOSA-N 0 3 390.484 0.483 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2noc3c2CCCCC3)CC1=O ZINC000425309061 1194905270 /nfs/dbraw/zinc/90/52/70/1194905270.db2.gz CJRQMPHMQIDGCL-CQSZACIVSA-N 0 3 378.473 0.852 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)CC1=O ZINC000425312348 1194906272 /nfs/dbraw/zinc/90/62/72/1194906272.db2.gz GTHLEIZTXQKCKD-XJKSGUPXSA-N 0 3 379.505 0.436 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCN(CC(F)(F)F)C2)CC1=O ZINC000425311882 1194906345 /nfs/dbraw/zinc/90/63/45/1194906345.db2.gz GATOGMCBLGVWOO-ZIAGYGMSSA-N 0 3 394.438 0.166 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccnc(OC(C)C)c2)CC1=O ZINC000425312879 1194906829 /nfs/dbraw/zinc/90/68/29/1194906829.db2.gz HOAUJSKUXODFNP-MRXNPFEDSA-N 0 3 378.473 0.778 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2c(C)[nH]c(C(=O)OC)c2C)CC1=O ZINC000425311825 1194906875 /nfs/dbraw/zinc/90/68/75/1194906875.db2.gz FYXDUGBOJFLFSS-CQSZACIVSA-N 0 3 394.472 0.327 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)CC1=O ZINC000425314342 1194907410 /nfs/dbraw/zinc/90/74/10/1194907410.db2.gz JEJUCQTYBHLQBQ-KRWDZBQOSA-N 0 3 375.469 0.459 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCc3ccccc3O2)CC1=O ZINC000425314918 1194908231 /nfs/dbraw/zinc/90/82/31/1194908231.db2.gz JSSNMFHRRCJXCU-FUHWJXTLSA-N 0 3 375.469 0.676 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2cc(C)ccc2OC)CC1=O ZINC000425315006 1194908395 /nfs/dbraw/zinc/90/83/95/1194908395.db2.gz KEWNFJLTHOEWDI-QGZVFWFLSA-N 0 3 377.485 0.841 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000514789283 1194908784 /nfs/dbraw/zinc/90/87/84/1194908784.db2.gz JNYNGPJMMYIWQC-UNEWFSDZSA-N 0 3 381.498 0.492 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cn(C)nc2C2CCC2)CC1=O ZINC000425317963 1194909972 /nfs/dbraw/zinc/90/99/72/1194909972.db2.gz NUJQSWTVZGCDPF-OAHLLOKOSA-N 0 3 377.489 0.597 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2noc3c2C[C@H](C)CC3)CC1=O ZINC000425317990 1194910104 /nfs/dbraw/zinc/91/01/04/1194910104.db2.gz NZYQOWYBSKKBIL-ZIAGYGMSSA-N 0 3 378.473 0.708 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@H]2COc3ccccc3O2)CC1=O ZINC000425320571 1194910793 /nfs/dbraw/zinc/91/07/93/1194910793.db2.gz RAVMHGBSIHAZQZ-HOTGVXAUSA-N 0 3 391.468 0.512 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2coc3c2C(=O)CCC3)CC1=O ZINC000425315658 1194911383 /nfs/dbraw/zinc/91/13/83/1194911383.db2.gz KOFORJWOCHVLKE-CYBMUJFWSA-N 0 3 377.441 0.708 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2nn(C)c3ccccc23)CC1=O ZINC000425315652 1194911414 /nfs/dbraw/zinc/91/14/14/1194911414.db2.gz KNIGBKNXZNIPPX-OAHLLOKOSA-N 0 3 387.484 0.411 20 0 GCADHN CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)N[C@H]2CCCN(C)[C@H]2C)C[C@H]1O ZINC000435283802 1194912444 /nfs/dbraw/zinc/91/24/44/1194912444.db2.gz BICUTBAWGSYSDX-ARLBYUKCSA-N 0 3 380.493 0.437 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(Cn3cccn3)cc2)CC1=O ZINC000425321772 1194912730 /nfs/dbraw/zinc/91/27/30/1194912730.db2.gz RWHSKVQLZRYEMT-IBGZPJMESA-N 0 3 399.495 0.840 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)Cc1ccccc1 ZINC000514877798 1194922334 /nfs/dbraw/zinc/92/23/34/1194922334.db2.gz RAXLDJYODMZCFL-SFHVURJKSA-N 0 3 397.479 0.217 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)c3nc(N)nc(N(C)C)n3)cc2)CC1 ZINC000514880193 1194924399 /nfs/dbraw/zinc/92/43/99/1194924399.db2.gz GCYGJYSVZUTXSY-UHFFFAOYSA-N 0 3 398.515 0.587 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc2c1ccn(C)c2=O ZINC000505680322 1194924971 /nfs/dbraw/zinc/92/49/71/1194924971.db2.gz ZYIGEQWAQBPQFE-OAHLLOKOSA-N 0 3 399.495 0.619 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCCCN1CCOCC1 ZINC000283617548 1194926536 /nfs/dbraw/zinc/92/65/36/1194926536.db2.gz QOZZTNAUMXUCPF-UHFFFAOYSA-N 0 3 382.530 0.477 20 0 GCADHN CN(Cc1ccc([S@](C)=O)cc1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425378717 1194931040 /nfs/dbraw/zinc/93/10/40/1194931040.db2.gz CAKWPWNENIIQAR-PXJNRBPISA-N 0 3 377.510 0.935 20 0 GCADHN CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000514962670 1194932006 /nfs/dbraw/zinc/93/20/06/1194932006.db2.gz QGAAJMJXNBQPHB-OLMNPRSZSA-N 0 3 397.541 0.486 20 0 GCADHN N[C@@H]1C[C@H]2CN(CC(=O)NCC3(c4ccccc4)CCOCC3)CCN2C1=O ZINC000514949299 1194932977 /nfs/dbraw/zinc/93/29/77/1194932977.db2.gz DGZSKVULSZDOCK-ZWKOTPCHSA-N 0 3 386.496 0.095 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC000514959242 1194933475 /nfs/dbraw/zinc/93/34/75/1194933475.db2.gz SFXSHFTWGORCGS-OAHLLOKOSA-N 0 3 389.566 0.078 20 0 GCADHN Cc1nc2n(n1)CCN(C(=O)C(=O)N1C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C1)C2 ZINC000425382784 1194934060 /nfs/dbraw/zinc/93/40/60/1194934060.db2.gz HXDPLCLGFGXENI-ZWKOTPCHSA-N 0 3 394.479 0.662 20 0 GCADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](CC)N[C@@H](C)C2)cc1 ZINC001167959228 1194935552 /nfs/dbraw/zinc/93/55/52/1194935552.db2.gz UPYVJDLPHZQUJB-DZGCQCFKSA-N 0 3 397.497 0.741 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)[C@@H]2C1 ZINC000425387337 1194938796 /nfs/dbraw/zinc/93/87/96/1194938796.db2.gz NIANOPOIRSJEBV-HRCADAONSA-N 0 3 386.500 0.941 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000425388844 1194939567 /nfs/dbraw/zinc/93/95/67/1194939567.db2.gz PIJVLYAVYKAFLE-JKSUJKDBSA-N 0 3 378.477 0.011 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(C)CC(N)=O)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435503319 1194939584 /nfs/dbraw/zinc/93/95/84/1194939584.db2.gz XHHJBMUXYPTTHF-INIZCTEOSA-N 0 3 398.467 0.521 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000425388841 1194939786 /nfs/dbraw/zinc/93/97/86/1194939786.db2.gz PIJVLYAVYKAFLE-CVEARBPZSA-N 0 3 378.477 0.011 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000425391735 1194940187 /nfs/dbraw/zinc/94/01/87/1194940187.db2.gz SGYLTANIBLTCIZ-QGZVFWFLSA-N 0 3 398.548 0.125 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425392820 1194941797 /nfs/dbraw/zinc/94/17/97/1194941797.db2.gz CPBYUGFPCIMMCK-SVMVAKDDSA-N 0 3 398.507 0.704 20 0 GCADHN CC(C)OCCOC1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425393259 1194942603 /nfs/dbraw/zinc/94/26/03/1194942603.db2.gz DCCGXIMTXFNNFD-FUHWJXTLSA-N 0 3 381.517 0.972 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)[C@@H]2C1 ZINC000425393083 1194943265 /nfs/dbraw/zinc/94/32/65/1194943265.db2.gz ULKULRVLNLSFCZ-LSDHHAIUSA-N 0 3 379.505 0.191 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(CC4CCOCC4)CC3)[C@@H]2C1 ZINC000425394712 1194944808 /nfs/dbraw/zinc/94/48/08/1194944808.db2.gz WRBJCNDSWLVIFU-ZWKOTPCHSA-N 0 3 378.517 0.110 20 0 GCADHN CC1(C)[C@H](O)C[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000515069484 1194945250 /nfs/dbraw/zinc/94/52/50/1194945250.db2.gz JBDCHEUNWAUTNL-HZPDHXFCSA-N 0 3 399.488 0.408 20 0 GCADHN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCO1 ZINC000366629910 1194946107 /nfs/dbraw/zinc/94/61/07/1194946107.db2.gz KWPVGLWJRJIBEO-XHSDSOJGSA-N 0 3 398.504 0.785 20 0 GCADHN COCCOCCN(C)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425398031 1194951986 /nfs/dbraw/zinc/95/19/86/1194951986.db2.gz HLAXDCLBNNWRGE-RBUKOAKNSA-N 0 3 389.496 0.841 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000515173335 1194953677 /nfs/dbraw/zinc/95/36/77/1194953677.db2.gz XJGTWLCYRPJUME-ZDUSSCGKSA-N 0 3 382.486 0.476 20 0 GCADHN O=C(C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)N(CCO)CC(F)F ZINC000425404718 1194956375 /nfs/dbraw/zinc/95/63/75/1194956375.db2.gz PVHBZYZKMQGNKY-JKSUJKDBSA-N 0 3 381.423 0.805 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C[C@H](CO)O1 ZINC000425406939 1194963331 /nfs/dbraw/zinc/96/33/31/1194963331.db2.gz UQZQHEMAXUABCQ-GDAAHCPNSA-N 0 3 387.480 0.328 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425410151 1194965387 /nfs/dbraw/zinc/96/53/87/1194965387.db2.gz ZMWVAWXOFSAZLM-FUHWJXTLSA-N 0 3 391.516 0.565 20 0 GCADHN C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435834047 1194966871 /nfs/dbraw/zinc/96/68/71/1194966871.db2.gz IAWBPCJUQWKWJC-GDBMZVCRSA-N 0 3 398.467 0.649 20 0 GCADHN O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C(=O)N1CC[C@@H](O)C1 ZINC000435836021 1194967480 /nfs/dbraw/zinc/96/74/80/1194967480.db2.gz PQFXKUKANAGJGH-DLBZAZTESA-N 0 3 383.452 0.862 20 0 GCADHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1CC[C@@H](O)C1 ZINC000435836022 1194967563 /nfs/dbraw/zinc/96/75/63/1194967563.db2.gz PQFXKUKANAGJGH-IAGOWNOFSA-N 0 3 383.452 0.862 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)CN[C@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000425446723 1194979479 /nfs/dbraw/zinc/97/94/79/1194979479.db2.gz QGBLWCNSBYPILE-YJBOKZPZSA-N 0 3 379.482 0.353 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000515535351 1194981757 /nfs/dbraw/zinc/98/17/57/1194981757.db2.gz PUUINXOEGSWJMS-JKSUJKDBSA-N 0 3 385.505 0.256 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000425455925 1194983960 /nfs/dbraw/zinc/98/39/60/1194983960.db2.gz VJFLUNCBNVBPTN-UHFFFAOYSA-N 0 3 383.537 0.291 20 0 GCADHN COCC(C)(C)NCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000436093980 1194985456 /nfs/dbraw/zinc/98/54/56/1194985456.db2.gz WREQHTYUWLYEII-UHFFFAOYSA-N 0 3 383.514 0.675 20 0 GCADHN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000515617810 1194987554 /nfs/dbraw/zinc/98/75/54/1194987554.db2.gz WCJTYISHXNSMKX-DLBZAZTESA-N 0 3 388.468 0.574 20 0 GCADHN Cc1ccc(-n2cnnc2)c(C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000436198246 1194990717 /nfs/dbraw/zinc/99/07/17/1194990717.db2.gz MSAIAJXHDUSQTQ-UHFFFAOYSA-N 0 3 386.500 0.696 20 0 GCADHN CN1CCN(CCC(=O)N2CC3(C2)SCC[C@@H]3C(=O)NCC(F)F)CC1 ZINC001270067594 1194992905 /nfs/dbraw/zinc/99/29/05/1194992905.db2.gz PAAGJKNJEHPPHW-CYBMUJFWSA-N 0 3 390.500 0.339 20 0 GCADHN CN1CCN(CCCCNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 ZINC000515715045 1194993498 /nfs/dbraw/zinc/99/34/98/1194993498.db2.gz CKJFWAPCNQVJRC-UHFFFAOYSA-N 0 3 394.541 0.885 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCOCC4(CC4)C3)CC2)C[C@H](C)O1 ZINC000515795617 1194997597 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Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H]2CCN(C)C(=O)C2)c1 ZINC000425905625 1195162828 /nfs/dbraw/zinc/16/28/28/1195162828.db2.gz QTICCLAMVPQTBP-QGZVFWFLSA-N 0 3 388.512 0.870 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000517263454 1195166876 /nfs/dbraw/zinc/16/68/76/1195166876.db2.gz MEFSUUKAQBGKIT-MRXNPFEDSA-N 0 3 388.516 0.752 20 0 GCADHN CCOCCN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000414915338 1195167392 /nfs/dbraw/zinc/16/73/92/1195167392.db2.gz MFCOOICQDOUSQS-UHFFFAOYSA-N 0 3 376.457 0.288 20 0 GCADHN COC(=O)[C@@H](O)C1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000437998236 1195180197 /nfs/dbraw/zinc/18/01/97/1195180197.db2.gz VYSRBLGOANBJRA-KRWDZBQOSA-N 0 3 385.505 0.831 20 0 GCADHN CC(=O)N1CSC[C@@H]1C(=O)N1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001270311547 1195190731 /nfs/dbraw/zinc/19/07/31/1195190731.db2.gz BKKFZVVOTHBQHZ-OAHLLOKOSA-N 0 3 382.530 0.311 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)Cc3ccc(Cl)cn3)C2)OCC1=O ZINC001270319329 1195197710 /nfs/dbraw/zinc/19/77/10/1195197710.db2.gz SUBBWWOZOZGJCF-SFHVURJKSA-N 0 3 380.876 0.669 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000517706074 1195209162 /nfs/dbraw/zinc/20/91/62/1195209162.db2.gz WWURYRLKVDTECH-YESZJQIVSA-N 0 3 376.501 0.543 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1nc(N)nc(C(F)(F)C(F)(F)F)n1 ZINC000894353201 1195211001 /nfs/dbraw/zinc/21/10/01/1195211001.db2.gz FLGRWYSBDQEFPM-SSDOTTSWSA-N 0 3 383.325 0.664 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000438444871 1195218515 /nfs/dbraw/zinc/21/85/15/1195218515.db2.gz KGAOBINGYFOTTR-INIZCTEOSA-N 0 3 381.498 0.813 20 0 GCADHN CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC000517814130 1195220212 /nfs/dbraw/zinc/22/02/12/1195220212.db2.gz KLPCINBFNNUXLH-JYJNAYRXSA-N 0 3 387.546 0.553 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000729431010 1195222296 /nfs/dbraw/zinc/22/22/96/1195222296.db2.gz DVHFKXZHQXRBCV-OAHLLOKOSA-N 0 3 382.486 0.053 20 0 GCADHN C[C@@]1(CO)CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000546102004 1195229459 /nfs/dbraw/zinc/22/94/59/1195229459.db2.gz KXKVOEOETJGQMZ-SFHVURJKSA-N 0 3 399.488 0.505 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CCN(C2CCC2)C1 ZINC000293739616 1195235190 /nfs/dbraw/zinc/23/51/90/1195235190.db2.gz RDCXOEVZTSRMDC-ZDUSSCGKSA-N 0 3 385.468 0.579 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426108826 1195235985 /nfs/dbraw/zinc/23/59/85/1195235985.db2.gz JIEBROTYOXPPBY-WOPDTQHZSA-N 0 3 378.395 0.099 20 0 GCADHN CCc1cc(N2CCC(NC(=O)C(=O)N(C)CCN3CCCC3)CC2)ncn1 ZINC000517999717 1195237107 /nfs/dbraw/zinc/23/71/07/1195237107.db2.gz YNVZUSLMOPBGHP-UHFFFAOYSA-N 0 3 388.516 0.678 20 0 GCADHN C[NH+](C)CCn1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000438708848 1195240189 /nfs/dbraw/zinc/24/01/89/1195240189.db2.gz IVDXMAMPNGCXPF-UHFFFAOYSA-N 0 3 386.456 1.140 20 0 GCADHN CCCNC(=O)C1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000518106791 1195249694 /nfs/dbraw/zinc/24/96/94/1195249694.db2.gz MZQUSXYXKGPZDR-QGZVFWFLSA-N 0 3 395.548 0.877 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000426166076 1195251666 /nfs/dbraw/zinc/25/16/66/1195251666.db2.gz BOHPNIVPFRQOLH-GOSISDBHSA-N 0 3 392.548 0.779 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000426166077 1195251880 /nfs/dbraw/zinc/25/18/80/1195251880.db2.gz BOHPNIVPFRQOLH-SFHVURJKSA-N 0 3 392.548 0.779 20 0 GCADHN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCCC[C@H]1O ZINC000426197311 1195259220 /nfs/dbraw/zinc/25/92/20/1195259220.db2.gz BNNXIDWPAGXAFM-QZTJIDSGSA-N 0 3 395.525 0.755 20 0 GCADHN CCn1cc(CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)C(C)C)cn1 ZINC000653371832 1195259877 /nfs/dbraw/zinc/25/98/77/1195259877.db2.gz UYGXQBJJNCEGCD-UHFFFAOYSA-N 0 3 392.548 0.784 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)nc1 ZINC000506410033 1195260979 /nfs/dbraw/zinc/26/09/79/1195260979.db2.gz QJKKQWSKWMYZAU-UHFFFAOYSA-N 0 3 381.480 0.659 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)C(F)(F)C(F)(F)Cl)C2)OCC1=O ZINC001270404533 1195261142 /nfs/dbraw/zinc/26/11/42/1195261142.db2.gz GGBRMIGVJWVOTD-LBPRGKRZSA-N 0 3 389.777 0.845 20 0 GCADHN COc1ncncc1NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000438875746 1195263860 /nfs/dbraw/zinc/26/38/60/1195263860.db2.gz JXYRBOFJAAIBOA-UHFFFAOYSA-N 0 3 398.467 0.984 20 0 GCADHN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000438887999 1195265846 /nfs/dbraw/zinc/26/58/46/1195265846.db2.gz SLERAOUWTNCBJN-WMZOPIPTSA-N 0 3 399.495 0.087 20 0 GCADHN COC(=O)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OC)c(OC)c1 ZINC000518218528 1195266789 /nfs/dbraw/zinc/26/67/89/1195266789.db2.gz NEXXXABFFAFOTM-NWDGAFQWSA-N 0 3 392.412 0.266 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)Cc2ccccc2C1 ZINC000506438628 1195269492 /nfs/dbraw/zinc/26/94/92/1195269492.db2.gz MZVQLORVMBALPC-CQSZACIVSA-N 0 3 387.402 0.583 20 0 GCADHN CCOCCCN1CC[C@@H](NS(=O)(=O)c2cnn(CCOC)c2)[C@H](C)C1 ZINC000438986513 1195274611 /nfs/dbraw/zinc/27/46/11/1195274611.db2.gz QXENTRFGALOJNC-NVXWUHKLSA-N 0 3 388.534 0.945 20 0 GCADHN CC(=O)Nc1ccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000518292799 1195276630 /nfs/dbraw/zinc/27/66/30/1195276630.db2.gz GSKINQMJIIJUQO-UHFFFAOYSA-N 0 3 388.472 0.490 20 0 GCADHN COc1ccc(Cn2ccc(NC(=O)C(=O)N(C)CCN3CCCC3)n2)cc1 ZINC000439210800 1195297368 /nfs/dbraw/zinc/29/73/68/1195297368.db2.gz PKRBRCBENNDJNK-UHFFFAOYSA-N 0 3 385.468 1.433 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000439214967 1195298028 /nfs/dbraw/zinc/29/80/28/1195298028.db2.gz LEOGOAMAKIHPIR-UHFFFAOYSA-N 0 3 376.457 0.694 20 0 GCADHN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC000439224239 1195298518 /nfs/dbraw/zinc/29/85/18/1195298518.db2.gz PNTIIJLZIXSIIC-UHFFFAOYSA-N 0 3 398.467 0.772 20 0 GCADHN CC[C@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCOCC1 ZINC000518519608 1195300778 /nfs/dbraw/zinc/30/07/78/1195300778.db2.gz YYCHROWLOBQZDY-RDJZCZTQSA-N 0 3 391.468 0.538 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3cc4c(cc3OC(F)F)OCO4)CCN2C1=O ZINC000518565884 1195302477 /nfs/dbraw/zinc/30/24/77/1195302477.db2.gz QTQXFROXRKOMNX-WDEREUQCSA-N 0 3 398.366 0.470 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H](O)Cc1cccc(F)c1 ZINC000296430726 1195306740 /nfs/dbraw/zinc/30/67/40/1195306740.db2.gz MFOCMPVAYYZTNY-MSOLQXFVSA-N 0 3 394.491 0.971 20 0 GCADHN CN(C)CCN1CC[C@]2(CCCN(C(=O)[C@@H]3CSCC(=O)N3)CC2)C1=O ZINC001270476044 1195309983 /nfs/dbraw/zinc/30/99/83/1195309983.db2.gz UPGIRDZIMKFNRZ-KBXCAEBGSA-N 0 3 382.530 0.011 20 0 GCADHN C[C@H](c1cccnc1)N1C(=O)C[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000518712849 1195321903 /nfs/dbraw/zinc/32/19/03/1195321903.db2.gz DNBBQVLTFZJAFF-AEFFLSMTSA-N 0 3 399.495 0.510 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCn4ncnc4C3)c2)CC1 ZINC000473603784 1195322358 /nfs/dbraw/zinc/32/23/58/1195322358.db2.gz DUFPUVUBNRKOOM-UHFFFAOYSA-N 0 3 383.456 0.401 20 0 GCADHN Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)nn1C ZINC000439454208 1195323036 /nfs/dbraw/zinc/32/30/36/1195323036.db2.gz QXBZSTONRZPGCV-DLBZAZTESA-N 0 3 385.468 0.666 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000518717557 1195324354 /nfs/dbraw/zinc/32/43/54/1195324354.db2.gz SMBWAZAJLAEGFV-QGZVFWFLSA-N 0 3 391.516 0.709 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000518717556 1195324495 /nfs/dbraw/zinc/32/44/95/1195324495.db2.gz SMBWAZAJLAEGFV-KRWDZBQOSA-N 0 3 391.516 0.709 20 0 GCADHN CN1CCN(CCCCNC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000518749388 1195327151 /nfs/dbraw/zinc/32/71/51/1195327151.db2.gz NWPQLEPJUNWIGC-IAGOWNOFSA-N 0 3 378.517 0.696 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000439645002 1195338519 /nfs/dbraw/zinc/33/85/19/1195338519.db2.gz TUGGZTCVWCLBKD-UHFFFAOYSA-N 0 3 395.456 0.532 20 0 GCADHN COC(=O)[C@@H]1CC12CCN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000506643090 1195340184 /nfs/dbraw/zinc/34/01/84/1195340184.db2.gz NYOCSFCGPJJOAW-JKSUJKDBSA-N 0 3 394.516 0.914 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000518870714 1195340822 /nfs/dbraw/zinc/34/08/22/1195340822.db2.gz FXPOBLHJHCUXOQ-GFCCVEGCSA-N 0 3 390.440 0.572 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000518880318 1195342006 /nfs/dbraw/zinc/34/20/06/1195342006.db2.gz SCENGQCYEDGYTR-OAHLLOKOSA-N 0 3 381.502 0.260 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000297822222 1195347588 /nfs/dbraw/zinc/34/75/88/1195347588.db2.gz LGVPOQAJSGEVTG-HZPDHXFCSA-N 0 3 379.505 0.491 20 0 GCADHN COC(=O)c1ccc(OCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000518945972 1195351052 /nfs/dbraw/zinc/35/10/52/1195351052.db2.gz XULBARBRVOPFOU-DOMZBBRYSA-N 0 3 393.440 0.197 20 0 GCADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc1 ZINC000519001004 1195356447 /nfs/dbraw/zinc/35/64/47/1195356447.db2.gz MJBJMRRKQWVIRY-HIFRSBDPSA-N 0 3 381.502 0.297 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000415005293 1195360759 /nfs/dbraw/zinc/36/07/59/1195360759.db2.gz AMXINWPTDNCDLQ-UHFFFAOYSA-N 0 3 394.431 0.936 20 0 GCADHN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000439874972 1195362258 /nfs/dbraw/zinc/36/22/58/1195362258.db2.gz CJBPMYREGVUYSU-APWZRJJASA-N 0 3 376.457 0.793 20 0 GCADHN C[C@@H]1Cc2cc(S(=O)(=O)N3CCN(C(=O)CN4CCCC4)CC3)ccc2O1 ZINC000519282892 1195389760 /nfs/dbraw/zinc/38/97/60/1195389760.db2.gz XIGURLWFQMEWIY-OAHLLOKOSA-N 0 3 393.509 0.939 20 0 GCADHN CC(C)(O)CN1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000519284104 1195390311 /nfs/dbraw/zinc/39/03/11/1195390311.db2.gz ADGMGCMORPHEGQ-UHFFFAOYSA-N 0 3 386.452 0.173 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1F ZINC000440273918 1195399924 /nfs/dbraw/zinc/39/99/24/1195399924.db2.gz SHQMDMYDSBHZDV-UHFFFAOYSA-N 0 3 394.447 0.647 20 0 GCADHN COC(=O)c1sccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000440278669 1195400406 /nfs/dbraw/zinc/40/04/06/1195400406.db2.gz FDNZDCAMGBIKKF-UHFFFAOYSA-N 0 3 382.486 0.569 20 0 GCADHN Cc1c(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cnn1CC(C)C ZINC000440277455 1195400556 /nfs/dbraw/zinc/40/05/56/1195400556.db2.gz BNNANCFZHFVCDX-UHFFFAOYSA-N 0 3 378.521 0.882 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000440280952 1195400934 /nfs/dbraw/zinc/40/09/34/1195400934.db2.gz WSCQSXFHBDIMDS-UHFFFAOYSA-N 0 3 390.410 0.473 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C)N1CCOCC1)N(C)C ZINC001719862236 1195406937 /nfs/dbraw/zinc/40/69/37/1195406937.db2.gz HWBDAEMTQMVWBV-FLXSYLCISA-N 0 3 380.533 0.541 20 0 GCADHN COc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1S(=O)(=O)N(C)C ZINC000519457134 1195408975 /nfs/dbraw/zinc/40/89/75/1195408975.db2.gz KITSWYVUKIVDHV-UHFFFAOYSA-N 0 3 395.485 0.956 20 0 GCADHN Cc1noc(C)c1C[C@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000506828880 1195412253 /nfs/dbraw/zinc/41/22/53/1195412253.db2.gz YXDPOJRNACHWCK-XJKSGUPXSA-N 0 3 380.489 0.908 20 0 GCADHN CCCN1CCCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1=O ZINC000550035707 1195418617 /nfs/dbraw/zinc/41/86/17/1195418617.db2.gz WBIMMEVQUOIHFD-SFHVURJKSA-N 0 3 388.512 0.746 20 0 GCADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000550037562 1195421999 /nfs/dbraw/zinc/42/19/99/1195421999.db2.gz WABLTKWAIUKIRF-KZNAEPCWSA-N 0 3 377.485 0.586 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NCCN1CCOC(C)(C)C1)Cc1ccccc1 ZINC000550037056 1195422131 /nfs/dbraw/zinc/42/21/31/1195422131.db2.gz SOFHOGQEMNJINW-GOSISDBHSA-N 0 3 390.528 0.503 20 0 GCADHN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000469492799 1195429127 /nfs/dbraw/zinc/42/91/27/1195429127.db2.gz XSDWSSZKEAUUME-SOUVJXGZSA-N 0 3 384.546 0.459 20 0 GCADHN CCNC(=O)CN1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000111505120 1195446372 /nfs/dbraw/zinc/44/63/72/1195446372.db2.gz LBQMOBAUVPVEOP-KRWDZBQOSA-N 0 3 375.517 0.970 20 0 GCADHN CN(CC(=O)N1CCOCC1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111546081 1195448728 /nfs/dbraw/zinc/44/87/28/1195448728.db2.gz RRRZZDIXKLKOLW-UHFFFAOYSA-N 0 3 388.512 0.906 20 0 GCADHN Cn1cc([C@@]2(CNC(=O)NCCN3CCN(C)C(C)(C)C3)CCCO2)cn1 ZINC000894601884 1195449966 /nfs/dbraw/zinc/44/99/66/1195449966.db2.gz NKHOWPUJNANYCM-IBGZPJMESA-N 0 3 378.521 0.751 20 0 GCADHN C[C@@H]1CC[N@H+](CCNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000894600041 1195450735 /nfs/dbraw/zinc/45/07/35/1195450735.db2.gz YOKUGKWYZVEDAJ-GFCCVEGCSA-N 0 3 390.456 0.884 20 0 GCADHN C[C@@H]1CC[N@@H+](CCNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000894600041 1195450736 /nfs/dbraw/zinc/45/07/36/1195450736.db2.gz YOKUGKWYZVEDAJ-GFCCVEGCSA-N 0 3 390.456 0.884 20 0 GCADHN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000550178941 1195454224 /nfs/dbraw/zinc/45/42/24/1195454224.db2.gz VRLLZHQRJBGEDU-CGTJXYLNSA-N 0 3 377.485 0.274 20 0 GCADHN C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000519566363 1195459207 /nfs/dbraw/zinc/45/92/07/1195459207.db2.gz UBYOVRFLWCDTIT-NQGZKBNKSA-N 0 3 395.525 0.277 20 0 GCADHN CN(C)[C@@H](CNC(=O)NC1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000049794970 1195461328 /nfs/dbraw/zinc/46/13/28/1195461328.db2.gz LUDIQMKXOIYQOX-QGZVFWFLSA-N 0 3 382.530 0.883 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000101858725 1195462039 /nfs/dbraw/zinc/46/20/39/1195462039.db2.gz RORIRTWCVBGGTD-UHFFFAOYSA-N 0 3 397.476 0.650 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCNC(=O)[C@@H]1C)c1cccc(OC)c1 ZINC000550237758 1195466631 /nfs/dbraw/zinc/46/66/31/1195466631.db2.gz XVIHSRAFJYEMEF-WMLDXEAASA-N 0 3 390.484 0.541 20 0 GCADHN O=C(NCCCN1CCOCC1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000550269882 1195473997 /nfs/dbraw/zinc/47/39/97/1195473997.db2.gz UCYZVZGYEUNAPR-UHFFFAOYSA-N 0 3 398.573 0.303 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)N1CCOCC1 ZINC000550278164 1195475488 /nfs/dbraw/zinc/47/54/88/1195475488.db2.gz FPEJZCSSRKUPAG-QGZVFWFLSA-N 0 3 382.549 0.792 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)c1scnc1C(F)(F)F)C2 ZINC001270683153 1195481290 /nfs/dbraw/zinc/48/12/90/1195481290.db2.gz JXRVUAPUDPUAQX-UHFFFAOYSA-N 0 3 392.403 0.777 20 0 GCADHN C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000519590397 1195498356 /nfs/dbraw/zinc/49/83/56/1195498356.db2.gz ATSWCAZQDMARDG-NKKGCODLSA-N 0 3 383.489 0.586 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000427086445 1195505470 /nfs/dbraw/zinc/50/54/70/1195505470.db2.gz UOIOHEKXDUHDFJ-HUUCEWRRSA-N 0 3 376.505 0.935 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1)CN1CCN(C)CC1 ZINC000427086618 1195506468 /nfs/dbraw/zinc/50/64/68/1195506468.db2.gz KKICNXZLNRDJKI-HNNXBMFYSA-N 0 3 399.495 0.477 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000664865834 1195511359 /nfs/dbraw/zinc/51/13/59/1195511359.db2.gz MGGQLRXWBOZQKB-HOCLYGCPSA-N 0 3 383.518 0.469 20 0 GCADHN NC(=O)COc1ccccc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000440499887 1195517826 /nfs/dbraw/zinc/51/78/26/1195517826.db2.gz AULQPHXATKHTOH-OAQYLSRUSA-N 0 3 383.448 0.918 20 0 GCADHN CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000427337848 1195527254 /nfs/dbraw/zinc/52/72/54/1195527254.db2.gz WQZYESMXEFUQBO-IIDMSEBBSA-N 0 3 396.532 0.495 20 0 GCADHN Cc1nc(CCNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)sc1C ZINC000507525603 1195529743 /nfs/dbraw/zinc/52/97/43/1195529743.db2.gz GDZQQMJDTGHOML-HNNXBMFYSA-N 0 3 382.530 0.988 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000507553291 1195530209 /nfs/dbraw/zinc/53/02/09/1195530209.db2.gz RKVMPDLEDLIGPR-CYBMUJFWSA-N 0 3 384.502 0.618 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2nc(C)c(C)s2)CC1 ZINC000507557923 1195530952 /nfs/dbraw/zinc/53/09/52/1195530952.db2.gz KWFWOYXUYZNMIA-UHFFFAOYSA-N 0 3 395.529 0.389 20 0 GCADHN CCOC(CNC(=O)[C@H]1CCCN1C1CC1)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000427465066 1195543144 /nfs/dbraw/zinc/54/31/44/1195543144.db2.gz GFOIDIVEEOWEOL-RTBURBONSA-N 0 3 392.544 0.878 20 0 GCADHN COC[C@H](CNC(=O)[C@@H]1CCCN1C1CC1)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000427496243 1195546049 /nfs/dbraw/zinc/54/60/49/1195546049.db2.gz VELUTEDSDBBYIP-WBAXXEDZSA-N 0 3 378.517 0.487 20 0 GCADHN Cc1csc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c2)n1 ZINC000519616268 1195547659 /nfs/dbraw/zinc/54/76/59/1195547659.db2.gz NWZOKCXBVIPDJP-CABCVRRESA-N 0 3 399.476 0.827 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CN(CC)CC)CC1 ZINC000507724706 1195550466 /nfs/dbraw/zinc/55/04/66/1195550466.db2.gz LEVJANXOKFBSEM-KRWDZBQOSA-N 0 3 396.532 0.417 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000664880096 1195550570 /nfs/dbraw/zinc/55/05/70/1195550570.db2.gz VOQOOXFPTVBPNY-MRXNPFEDSA-N 0 3 396.536 0.328 20 0 GCADHN CC(=O)Nc1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000550305657 1195556597 /nfs/dbraw/zinc/55/65/97/1195556597.db2.gz JVQJQYDDFFCBTI-GOSISDBHSA-N 0 3 390.484 0.830 20 0 GCADHN CC(=O)Nc1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000550305658 1195556892 /nfs/dbraw/zinc/55/68/92/1195556892.db2.gz JVQJQYDDFFCBTI-SFHVURJKSA-N 0 3 390.484 0.830 20 0 GCADHN NC(=O)COc1cccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000440513273 1195558467 /nfs/dbraw/zinc/55/84/67/1195558467.db2.gz LZQKERILZYNHJF-NRFANRHFSA-N 0 3 383.448 0.918 20 0 GCADHN CSCC[C@@H](C)N(C)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000440617792 1195567975 /nfs/dbraw/zinc/56/79/75/1195567975.db2.gz XOPVDZWWGNFGBD-MRXNPFEDSA-N 0 3 386.562 0.063 20 0 GCADHN Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000519781551 1195570802 /nfs/dbraw/zinc/57/08/02/1195570802.db2.gz SEYNPTKJZULRCK-KBPBESRZSA-N 0 3 398.419 0.740 20 0 GCADHN NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000519821348 1195575949 /nfs/dbraw/zinc/57/59/49/1195575949.db2.gz DBAUZNJISVEQEN-NVXWUHKLSA-N 0 3 380.876 0.389 20 0 GCADHN NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000519821346 1195576074 /nfs/dbraw/zinc/57/60/74/1195576074.db2.gz DBAUZNJISVEQEN-DOTOQJQBSA-N 0 3 380.876 0.389 20 0 GCADHN Cn1cc(-n2cc(C(=O)N3CCC(N4CCN(C)CC4)CC3)ccc2=O)cn1 ZINC001648956519 1195578537 /nfs/dbraw/zinc/57/85/37/1195578537.db2.gz NSKJONPPTKHXCC-UHFFFAOYSA-N 0 3 384.484 0.423 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)cn1 ZINC000519941620 1195585103 /nfs/dbraw/zinc/58/51/03/1195585103.db2.gz KOLJMRVSIMTRAG-UHFFFAOYSA-N 0 3 380.445 0.272 20 0 GCADHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)[C@H]2C1 ZINC000894892596 1195586905 /nfs/dbraw/zinc/58/69/05/1195586905.db2.gz ATLHUZHIPSJTEY-FKSLSLAPSA-N 0 3 378.517 0.874 20 0 GCADHN CCN(CC)CC(=O)N1CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000507731121 1195587829 /nfs/dbraw/zinc/58/78/29/1195587829.db2.gz HWDPDUPMGKLQIM-GFCCVEGCSA-N 0 3 395.426 0.249 20 0 GCADHN CN1CCN(CCNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1(C)C ZINC000440988603 1195593754 /nfs/dbraw/zinc/59/37/54/1195593754.db2.gz ZJUGYSYXWGYZSJ-UHFFFAOYSA-N 0 3 393.536 0.096 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000550319011 1195597475 /nfs/dbraw/zinc/59/74/75/1195597475.db2.gz YJQPCJRSBNOXPC-UHFFFAOYSA-N 0 3 396.513 0.107 20 0 GCADHN CN(CC(=O)NCc1ccccc1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441042087 1195597908 /nfs/dbraw/zinc/59/79/08/1195597908.db2.gz UCAQRRAJTPGTLK-UHFFFAOYSA-N 0 3 375.517 0.970 20 0 GCADHN COc1ccc(NC(=O)CNC2(CO)CCCC2)cc1S(=O)(=O)N(C)C ZINC000441041008 1195598001 /nfs/dbraw/zinc/59/80/01/1195598001.db2.gz MVNKBBBZDCAVRL-UHFFFAOYSA-N 0 3 385.486 0.779 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[S@@](=O)C3)c2)CC1 ZINC000441193073 1195608811 /nfs/dbraw/zinc/60/88/11/1195608811.db2.gz FXDIZURCFGKZKS-CHAGWJKLSA-N 0 3 392.525 0.793 20 0 GCADHN COC(=O)[C@@H](O)C1CCN(C[C@H](O)COc2c(OC)cccc2OC)CC1 ZINC000441232089 1195615010 /nfs/dbraw/zinc/61/50/10/1195615010.db2.gz XPYDINAHHDJWBL-YOEHRIQHSA-N 0 3 383.441 0.689 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000520316758 1195620973 /nfs/dbraw/zinc/62/09/73/1195620973.db2.gz RHWDLTDCGBVJEQ-CYBMUJFWSA-N 0 3 397.497 0.731 20 0 GCADHN COCC[C@]1(NCC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)CCOC1 ZINC000520332208 1195621408 /nfs/dbraw/zinc/62/14/08/1195621408.db2.gz IACHVNAPGLKZNL-PXNSSMCTSA-N 0 3 376.453 0.898 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCCCC1 ZINC000520367381 1195625283 /nfs/dbraw/zinc/62/52/83/1195625283.db2.gz SYQJFCPVUABZEX-GOSISDBHSA-N 0 3 394.560 0.890 20 0 GCADHN CN(C)CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCCCC1 ZINC000520367382 1195625356 /nfs/dbraw/zinc/62/53/56/1195625356.db2.gz SYQJFCPVUABZEX-SFHVURJKSA-N 0 3 394.560 0.890 20 0 GCADHN CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000520366688 1195627761 /nfs/dbraw/zinc/62/77/61/1195627761.db2.gz YCDGHCQDNOMQJW-AWEZNQCLSA-N 0 3 382.486 0.344 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(OC(C)C)nc2)CC1=O ZINC000520381566 1195628739 /nfs/dbraw/zinc/62/87/39/1195628739.db2.gz WRUFFBKAKYGCPD-MRXNPFEDSA-N 0 3 378.473 0.778 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(OC(C)C)nc2)CC1=O ZINC000520381565 1195628860 /nfs/dbraw/zinc/62/88/60/1195628860.db2.gz WRUFFBKAKYGCPD-INIZCTEOSA-N 0 3 378.473 0.778 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 ZINC000188416028 1195632548 /nfs/dbraw/zinc/63/25/48/1195632548.db2.gz XFRHVYWQBCRYJF-CABCVRRESA-N 0 3 376.505 0.935 20 0 GCADHN CCOC(=O)Cn1cc(CN2CC[C@@](CO)(COC)C2)c(-c2cnn(C)c2)n1 ZINC000894930361 1195635814 /nfs/dbraw/zinc/63/58/14/1195635814.db2.gz TUYIVGYGRXRECK-LJQANCHMSA-N 0 3 391.472 0.678 20 0 GCADHN Cc1nnc2n1C[C@@H](CNC(=O)C(=O)NCC(C)(C)N1CCCCC1)CC2 ZINC000550349478 1195639886 /nfs/dbraw/zinc/63/98/86/1195639886.db2.gz RAYAGLKTMCXMAK-OAHLLOKOSA-N 0 3 376.505 0.646 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc3c(c2)[nH]c(=O)n(CC)c3=O)CC1 ZINC000112917643 1195645800 /nfs/dbraw/zinc/64/58/00/1195645800.db2.gz GXJFPZVDFQHFQI-AWEZNQCLSA-N 0 3 387.484 0.466 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCC(Cn2cncn2)CC1)N1CCCCC1 ZINC000550363108 1195646229 /nfs/dbraw/zinc/64/62/29/1195646229.db2.gz FERPJPDQQGHXFN-UHFFFAOYSA-N 0 3 376.505 0.897 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N1CCN(C2CCCC2)CC1)N1CCN(C)CC1 ZINC000550382019 1195650106 /nfs/dbraw/zinc/65/01/06/1195650106.db2.gz PQTWTUQIDJCBMS-IBGZPJMESA-N 0 3 393.576 0.461 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)n1 ZINC000550386133 1195653479 /nfs/dbraw/zinc/65/34/79/1195653479.db2.gz BUHHMMAQZSBNKT-GJZGRUSLSA-N 0 3 392.891 0.957 20 0 GCADHN Cc1n[nH]c(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)c1C ZINC000328844206 1195670237 /nfs/dbraw/zinc/67/02/37/1195670237.db2.gz PUYNCXFWWQRKRA-HNNXBMFYSA-N 0 3 399.499 0.603 20 0 GCADHN CSc1nc2nc(C)c(CC(=O)N3CCO[C@H]4CCN(C)C[C@H]43)c(C)n2n1 ZINC000328934332 1195676380 /nfs/dbraw/zinc/67/63/80/1195676380.db2.gz CEBUBRKYDPVROL-CABCVRRESA-N 0 3 390.513 0.937 20 0 GCADHN CS[C@H]1CN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C[C@@H]1N(C)C ZINC000328991083 1195684686 /nfs/dbraw/zinc/68/46/86/1195684686.db2.gz DDKIOPVBBQMMKX-BBWFWOEESA-N 0 3 377.510 0.918 20 0 GCADHN COc1cc(OC)c(C[C@@H](C)NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(OC)c1 ZINC000665000134 1195694263 /nfs/dbraw/zinc/69/42/63/1195694263.db2.gz JTNCXJDTIMCWDK-KCXAZCMYSA-N 0 3 381.473 0.960 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000330714599 1195704610 /nfs/dbraw/zinc/70/46/10/1195704610.db2.gz SIBWUSVHNXTWCP-UHFFFAOYSA-N 0 3 382.530 0.646 20 0 GCADHN COCCOc1ncccc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331155580 1195721531 /nfs/dbraw/zinc/72/15/31/1195721531.db2.gz JEJNHBVOGSXDIC-MRXNPFEDSA-N 0 3 376.457 0.485 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000331173197 1195721967 /nfs/dbraw/zinc/72/19/67/1195721967.db2.gz OSFQWSSNRGIAHY-MRXNPFEDSA-N 0 3 394.497 0.437 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000550405768 1195729753 /nfs/dbraw/zinc/72/97/53/1195729753.db2.gz JSBWPDMAVXJHRN-HNNXBMFYSA-N 0 3 379.482 0.403 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000665036847 1195741840 /nfs/dbraw/zinc/74/18/40/1195741840.db2.gz TXWSJKBJVHTFAO-IAGOWNOFSA-N 0 3 377.489 0.963 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCOC2(CCOCC2)C1)Cc1ccccc1 ZINC000550410016 1195742362 /nfs/dbraw/zinc/74/23/62/1195742362.db2.gz JNKIXFWMBRYHRB-GOSISDBHSA-N 0 3 389.496 0.684 20 0 GCADHN CCN1C(=O)C(=CNC[C@@H]2CN(CC(C)C)CCO2)C(=O)N(CC)C1=S ZINC000028966604 1195743575 /nfs/dbraw/zinc/74/35/75/1195743575.db2.gz YXTSCFUHXBYJPV-CQSZACIVSA-N 0 3 382.530 0.812 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729497168 1195745122 /nfs/dbraw/zinc/74/51/22/1195745122.db2.gz MGCLTHSQYRVGSG-JKSUJKDBSA-N 0 3 388.534 0.353 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729497154 1195745229 /nfs/dbraw/zinc/74/52/29/1195745229.db2.gz MGCLTHSQYRVGSG-CVEARBPZSA-N 0 3 388.534 0.353 20 0 GCADHN Cc1cc(CN2CCN(C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)no1 ZINC000074655441 1195750120 /nfs/dbraw/zinc/75/01/20/1195750120.db2.gz NPKYLYGGZCQYQF-INIZCTEOSA-N 0 3 378.521 0.694 20 0 GCADHN CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H](C)CN1CCN(C)CC1)CC2 ZINC000181608550 1195776342 /nfs/dbraw/zinc/77/63/42/1195776342.db2.gz YWVIQZZARWARMU-HZPDHXFCSA-N 0 3 377.537 0.899 20 0 GCADHN C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(S(N)(=O)=O)c1 ZINC000729506203 1195776803 /nfs/dbraw/zinc/77/68/03/1195776803.db2.gz NYLPBJDCCFCWFE-NWANDNLSSA-N 0 3 382.486 0.557 20 0 GCADHN O=C(Cc1cccc(F)c1)NCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729506092 1195777021 /nfs/dbraw/zinc/77/70/21/1195777021.db2.gz RTFPMZATAKLJBJ-DLBZAZTESA-N 0 3 378.448 0.647 20 0 GCADHN C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc(S(N)(=O)=O)c1 ZINC000729506201 1195777063 /nfs/dbraw/zinc/77/70/63/1195777063.db2.gz NYLPBJDCCFCWFE-AEGPPILISA-N 0 3 382.486 0.557 20 0 GCADHN C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000441546067 1195781912 /nfs/dbraw/zinc/78/19/12/1195781912.db2.gz MNRDJKDMGYUQDE-CJNGLKHVSA-N 0 3 376.457 0.288 20 0 GCADHN COCCN1CCC(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000332939271 1195783093 /nfs/dbraw/zinc/78/30/93/1195783093.db2.gz FRAKRUFXZXPXSD-ZWKOTPCHSA-N 0 3 379.501 0.655 20 0 GCADHN CCO[C@H]1C[C@](N)(C(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)C1(C)C ZINC000520576421 1195791002 /nfs/dbraw/zinc/79/10/02/1195791002.db2.gz CEOWAYGSXLBHHG-YJBOKZPZSA-N 0 3 399.513 0.534 20 0 GCADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000520582996 1195791852 /nfs/dbraw/zinc/79/18/52/1195791852.db2.gz GKJYPRWQLHAKLS-SFHVURJKSA-N 0 3 398.438 0.756 20 0 GCADHN COC(=O)CCc1nnc(NC(=O)NCCN2CCN(C)C(C)(C)C2)s1 ZINC000441670293 1195813786 /nfs/dbraw/zinc/81/37/86/1195813786.db2.gz USNSYWOCPSYPQO-UHFFFAOYSA-N 0 3 384.506 0.791 20 0 GCADHN Cc1nn[nH]c1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000983961054 1195814791 /nfs/dbraw/zinc/81/47/91/1195814791.db2.gz GUAABQUVDXXTHF-RJZRQDKASA-N 0 3 378.477 0.189 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ccnn1)C2)CC(C)(C)C ZINC001719888910 1195815978 /nfs/dbraw/zinc/81/59/78/1195815978.db2.gz KGWXMCSLRGLJMF-OAGGEKHMSA-N 0 3 376.505 0.894 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC1 ZINC000474002989 1195817388 /nfs/dbraw/zinc/81/73/88/1195817388.db2.gz YSVOCQCAPZARPU-UHFFFAOYSA-N 0 3 397.564 0.729 20 0 GCADHN CN1CCN(Cc2ccccc2-c2ccc(C(=O)NC[C@H](O)CO)nc2)CC1 ZINC000665191010 1195843783 /nfs/dbraw/zinc/84/37/83/1195843783.db2.gz ZPAXLXSAIJKXBZ-SFHVURJKSA-N 0 3 384.480 0.579 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)c2nnn(-c3ccn(C)n3)c2C)CC1 ZINC000550442315 1195849670 /nfs/dbraw/zinc/84/96/70/1195849670.db2.gz XEQPDTIEUWQGEE-UHFFFAOYSA-N 0 3 375.477 0.928 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000027768203 1195856505 /nfs/dbraw/zinc/85/65/05/1195856505.db2.gz QIOLGFWSQFUPQN-AWEZNQCLSA-N 0 3 385.486 0.905 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000186123468 1195859140 /nfs/dbraw/zinc/85/91/40/1195859140.db2.gz CGFMVANDNLCHSF-SJORKVTESA-N 0 3 377.537 0.714 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1 ZINC000427846298 1195883520 /nfs/dbraw/zinc/88/35/20/1195883520.db2.gz RSJIFBWGVCGLFD-HRAATJIYSA-N 0 3 388.512 0.536 20 0 GCADHN CC[C@@H](C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)N(C)C ZINC000508031832 1195886451 /nfs/dbraw/zinc/88/64/51/1195886451.db2.gz HZLNNSPGGNLQOW-DLBZAZTESA-N 0 3 390.532 0.708 20 0 GCADHN C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000427864023 1195888942 /nfs/dbraw/zinc/88/89/42/1195888942.db2.gz KWFMBAQPUYTJGX-UONOGXRCSA-N 0 3 376.457 0.722 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](CO)[C@H]3C)cc2)CC1 ZINC000427865439 1195889131 /nfs/dbraw/zinc/88/91/31/1195889131.db2.gz HXKDPOMFQBTCQU-SJLPKXTDSA-N 0 3 388.512 0.992 20 0 GCADHN CN(CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)S(C)(=O)=O ZINC000371006869 1195900400 /nfs/dbraw/zinc/90/04/00/1195900400.db2.gz HMSPWPAEDQPAPC-MRXNPFEDSA-N 0 3 396.513 0.683 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000262150632 1195903661 /nfs/dbraw/zinc/90/36/61/1195903661.db2.gz PEJBNCKNKLYPDQ-WFASDCNBSA-N 0 3 385.848 0.360 20 0 GCADHN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)C2)c1 ZINC000520839491 1195926913 /nfs/dbraw/zinc/92/69/13/1195926913.db2.gz GYAFLLPQXZSXHX-UHOSZYNNSA-N 0 3 398.507 0.926 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000520847772 1195927765 /nfs/dbraw/zinc/92/77/65/1195927765.db2.gz RSRIIQQSJFYTOP-BBWFWOEESA-N 0 3 382.549 0.981 20 0 GCADHN CC(C)[C@H](O)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000442013306 1195941842 /nfs/dbraw/zinc/94/18/42/1195941842.db2.gz JJSSDEIDTJTRDY-OAHLLOKOSA-N 0 3 392.456 0.618 20 0 GCADHN C[C@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000442023282 1195943835 /nfs/dbraw/zinc/94/38/35/1195943835.db2.gz KFCLALVHQROXMM-QWVSSGJLSA-N 0 3 396.513 0.719 20 0 GCADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CCN(C)CC[C@H]1C ZINC000442034053 1195945776 /nfs/dbraw/zinc/94/57/76/1195945776.db2.gz YPONLFJATKAAKI-GFCCVEGCSA-N 0 3 383.460 0.417 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H](CC(N)=O)C2CCOCC2)c1 ZINC000442147569 1195958287 /nfs/dbraw/zinc/95/82/87/1195958287.db2.gz BISZBQHVNKXPJD-INIZCTEOSA-N 0 3 376.457 0.474 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000442173082 1195959713 /nfs/dbraw/zinc/95/97/13/1195959713.db2.gz OEMVAVDDLUBFQV-UHFFFAOYSA-N 0 3 380.420 0.733 20 0 GCADHN C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C(=O)N1CCOCC1 ZINC000521061499 1195960582 /nfs/dbraw/zinc/96/05/82/1195960582.db2.gz BMGLKPJOQQNTMO-SFHVURJKSA-N 0 3 388.512 0.952 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000442177469 1195961489 /nfs/dbraw/zinc/96/14/89/1195961489.db2.gz UFESZGVZRFCXEB-UHFFFAOYSA-N 0 3 390.484 0.946 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000521143613 1195965782 /nfs/dbraw/zinc/96/57/82/1195965782.db2.gz LBITWRGWXLQWBV-UHFFFAOYSA-N 0 3 382.530 0.613 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H]3CCNC3=O)c(C)c2)CC1 ZINC000442265992 1195968522 /nfs/dbraw/zinc/96/85/22/1195968522.db2.gz YJFNPIUJKSRANJ-QGZVFWFLSA-N 0 3 387.484 0.422 20 0 GCADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)n(-c2ccc(C)nn2)n1 ZINC000442341103 1195979459 /nfs/dbraw/zinc/97/94/59/1195979459.db2.gz NFQFNINPHQDYLK-AWEZNQCLSA-N 0 3 383.456 0.984 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCc3cc4ccccc4o3)C2)nn1 ZINC000521217988 1195979527 /nfs/dbraw/zinc/97/95/27/1195979527.db2.gz RSARFDJVJYAFLZ-OAHLLOKOSA-N 0 3 382.424 0.963 20 0 GCADHN COc1ccc([C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C(C)C)cc1 ZINC000521272874 1195984025 /nfs/dbraw/zinc/98/40/25/1195984025.db2.gz HCYWJHSHCQMZDT-USXIJHARSA-N 0 3 388.468 0.279 20 0 GCADHN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000442429333 1195985559 /nfs/dbraw/zinc/98/55/59/1195985559.db2.gz DCACKRLWBIPTBZ-IBGZPJMESA-N 0 3 391.472 0.587 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000521321004 1195987958 /nfs/dbraw/zinc/98/79/58/1195987958.db2.gz WYECUTSBHKESMN-UHFFFAOYSA-N 0 3 388.490 0.139 20 0 GCADHN COc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000521371922 1195992145 /nfs/dbraw/zinc/99/21/45/1195992145.db2.gz QETMUROTNWIXGY-ZWNOBZJWSA-N 0 3 393.387 0.647 20 0 GCADHN C[C@H](CNCC(=O)N1CCCCCC1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001271043665 1195992825 /nfs/dbraw/zinc/99/28/25/1195992825.db2.gz LSXSJJUXDSLZAK-VUHPKUFZSA-N 0 3 381.517 0.877 20 0 GCADHN Cn1nccc1CNC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCOCC1 ZINC001271050618 1195994845 /nfs/dbraw/zinc/99/48/45/1195994845.db2.gz VNCSNJSCXPCWTB-BHYGNILZSA-N 0 3 378.473 0.227 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000521415955 1195995284 /nfs/dbraw/zinc/99/52/84/1195995284.db2.gz HOGMMHCGPVDSJM-UHFFFAOYSA-N 0 3 385.468 0.891 20 0 GCADHN CN(CC[NH+]1CCCC1)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442614717 1195995436 /nfs/dbraw/zinc/99/54/36/1195995436.db2.gz ZMESPYPWALFCRJ-UHFFFAOYSA-N 0 3 390.456 0.980 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(SC)nc2)CC1 ZINC000521425406 1195996275 /nfs/dbraw/zinc/99/62/75/1195996275.db2.gz CNPQFWXYSWCSPQ-UHFFFAOYSA-N 0 3 393.513 0.755 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000442624528 1195997591 /nfs/dbraw/zinc/99/75/91/1195997591.db2.gz NZJQWEQAOQMEMY-DLBZAZTESA-N 0 3 386.537 0.068 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C(=O)N1CCCC[C@@H]1C ZINC000521472863 1195998460 /nfs/dbraw/zinc/99/84/60/1195998460.db2.gz KUAWZOZRRBMQEM-SUNYJGFJSA-N 0 3 384.546 0.446 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000521552983 1196001411 /nfs/dbraw/zinc/00/14/11/1196001411.db2.gz UFSMYZUAXJEOQZ-UHFFFAOYSA-N 0 3 380.420 0.686 20 0 GCADHN CC[C@@H](CO)Nc1cc(N[C@@H]2CCCN(CCN3CCOCC3)C2)ncn1 ZINC000895164771 1196001814 /nfs/dbraw/zinc/00/18/14/1196001814.db2.gz DBZSVYBXWRJYJS-DLBZAZTESA-N 0 3 378.521 0.868 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000521546441 1196002458 /nfs/dbraw/zinc/00/24/58/1196002458.db2.gz SNRMRDDXPZTTBN-AWEZNQCLSA-N 0 3 376.457 0.741 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000521546442 1196002560 /nfs/dbraw/zinc/00/25/60/1196002560.db2.gz SNRMRDDXPZTTBN-CQSZACIVSA-N 0 3 376.457 0.741 20 0 GCADHN CS(=O)(=O)c1cccc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000895165251 1196002908 /nfs/dbraw/zinc/00/29/08/1196002908.db2.gz FRGNSJHDWBKSQD-IRXDYDNUSA-N 0 3 381.498 0.831 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000442788648 1196004044 /nfs/dbraw/zinc/00/40/44/1196004044.db2.gz XBNHGPYMWMHYKT-GVDBMIGSSA-N 0 3 399.532 0.236 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC3(CCOCC3)[C@@H]2C)CC1 ZINC000521596859 1196006055 /nfs/dbraw/zinc/00/60/55/1196006055.db2.gz LTWPSYSAQYRQBM-MSOLQXFVSA-N 0 3 394.560 0.794 20 0 GCADHN COc1cccc(CN(C)C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000521650822 1196009143 /nfs/dbraw/zinc/00/91/43/1196009143.db2.gz DLYXCUDMTVJBQW-INIZCTEOSA-N 0 3 376.501 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C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC12CCC2 ZINC000521979720 1196031097 /nfs/dbraw/zinc/03/10/97/1196031097.db2.gz NTJSSUHTNQVEER-QGZVFWFLSA-N 0 3 390.528 0.792 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(OCCN2CCNC2=O)cc1C ZINC000443283733 1196035318 /nfs/dbraw/zinc/03/53/18/1196035318.db2.gz NOTXKKCEZQIPKS-UHFFFAOYSA-N 0 3 391.472 0.405 20 0 GCADHN CCOC(=O)C1CCN(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)CC1 ZINC000443298293 1196035627 /nfs/dbraw/zinc/03/56/27/1196035627.db2.gz OZAIYDYRZMVBML-INIZCTEOSA-N 0 3 391.534 0.189 20 0 GCADHN COc1ccc(NC(C)=O)cc1S(=O)(=O)NCC1CCN(CCO)CC1 ZINC000443299724 1196035908 /nfs/dbraw/zinc/03/59/08/1196035908.db2.gz XKNGACALXIUFCG-UHFFFAOYSA-N 0 3 385.486 0.636 20 0 GCADHN N[C@@H]1C[C@H]2CN(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)CCN2C1=O ZINC000522014449 1196035936 /nfs/dbraw/zinc/03/59/36/1196035936.db2.gz NCUPBKYXWLKTID-DLBZAZTESA-N 0 3 391.903 0.232 20 0 GCADHN N[C@H]1C[C@H]2CN(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)CCN2C1=O ZINC000522014454 1196035981 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Cc1nn(C)c(N2CCOCC2)c1CNCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000895207104 1196054370 /nfs/dbraw/zinc/05/43/70/1196054370.db2.gz ILPAJSKFDDSITI-UHFFFAOYSA-N 0 3 395.504 0.637 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000522188519 1196057835 /nfs/dbraw/zinc/05/78/35/1196057835.db2.gz CUUTWGOHTFGCFX-ZDUSSCGKSA-N 0 3 397.545 0.980 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN1CCCN1C(=O)CNC1=O ZINC001087665021 1196058375 /nfs/dbraw/zinc/05/83/75/1196058375.db2.gz RURBZZIBKPBPOZ-BCHHIPDFSA-N 0 3 390.484 0.321 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCN1Cc1ccc(C(N)=O)cc1 ZINC001087727158 1196067757 /nfs/dbraw/zinc/06/77/57/1196067757.db2.gz JFWGZPZEEQMGGZ-XWTMOSNGSA-N 0 3 386.496 0.979 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)CCN1CCN1C(=O)CNC1=O ZINC001087730070 1196068831 /nfs/dbraw/zinc/06/88/31/1196068831.db2.gz MYUUYAZOFFWXQX-APIJFGDWSA-N 0 3 388.472 0.045 20 0 GCADHN CCOc1ncccc1CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000550540989 1196081175 /nfs/dbraw/zinc/08/11/75/1196081175.db2.gz OPWDLHZYOCZIDE-INIZCTEOSA-N 0 3 378.473 0.666 20 0 GCADHN COc1cc(CN2C[C@H](O)C[C@]2(C)CO)ccc1OCC(=O)N1CCOCC1 ZINC000895327689 1196082763 /nfs/dbraw/zinc/08/27/63/1196082763.db2.gz PHBOPBCCWFDKDR-OXQOHEQNSA-N 0 3 394.468 0.250 20 0 GCADHN COc1ccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC000984415552 1196085065 /nfs/dbraw/zinc/08/50/65/1196085065.db2.gz LUQJSDFUVQEELB-WSLKZVHASA-N 0 3 376.457 0.521 20 0 GCADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000522373765 1196087022 /nfs/dbraw/zinc/08/70/22/1196087022.db2.gz QEVLLIMMJGUEFZ-HOCLYGCPSA-N 0 3 391.497 0.872 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccc(OC)nc2)CC1 ZINC000550569482 1196089119 /nfs/dbraw/zinc/08/91/19/1196089119.db2.gz NZQRGCMRORXGHI-OAHLLOKOSA-N 0 3 377.489 0.096 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000550581440 1196092745 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382.505 0.839 20 0 GCADHN CN1CCN([C@@H](CNC(=O)C2CN([C@@H]3CCOC3)C2)c2cccs2)CC1 ZINC000895468852 1196097320 /nfs/dbraw/zinc/09/73/20/1196097320.db2.gz WIJMIRPFBIODJL-SJORKVTESA-N 0 3 378.542 0.874 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1COc2ccccc2C1 ZINC000114589498 1196106186 /nfs/dbraw/zinc/10/61/86/1196106186.db2.gz UFVFRERHEAEAFG-SFHVURJKSA-N 0 3 376.501 0.679 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1COc2ccccc2C1 ZINC000114589500 1196106878 /nfs/dbraw/zinc/10/68/78/1196106878.db2.gz UFVFRERHEAEAFG-GOSISDBHSA-N 0 3 376.501 0.679 20 0 GCADHN CC(C)N1C(=S)N=NC1CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000895674274 1196106960 /nfs/dbraw/zinc/10/69/60/1196106960.db2.gz DZLQVRUVRPVOKD-UONOGXRCSA-N 0 3 382.534 0.931 20 0 GCADHN CN(C)S(=O)(=O)N[C@H](CNC(=O)N(C)[C@@H]1CCCN(C)C1)C1CCCC1 ZINC000895692665 1196107708 /nfs/dbraw/zinc/10/77/08/1196107708.db2.gz OHTNESIOZAIBHH-HZPDHXFCSA-N 0 3 389.566 0.677 20 0 GCADHN CCN1CCN([C@@H]2CCN(CC(=O)NC[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000107370916 1196108470 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0.790 20 0 GCADHN CN(CCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000054281503 1196131254 /nfs/dbraw/zinc/13/12/54/1196131254.db2.gz XUXFWMORWDJRPC-UHFFFAOYSA-N 0 3 381.436 0.494 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000443764299 1196141937 /nfs/dbraw/zinc/14/19/37/1196141937.db2.gz MMWQPMBZSHUDPJ-SJORKVTESA-N 0 3 399.561 0.881 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000474720444 1196146020 /nfs/dbraw/zinc/14/60/20/1196146020.db2.gz BVUIZLUIGOOGLD-MSOLQXFVSA-N 0 3 380.533 0.546 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2nc(C(F)(F)F)no2)CC1 ZINC000896405902 1196146817 /nfs/dbraw/zinc/14/68/17/1196146817.db2.gz QKEFZAZMGFIBRZ-UHFFFAOYSA-N 0 3 390.366 0.538 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)c2cccc(CS(N)(=O)=O)c2)CC1 ZINC000474803015 1196151227 /nfs/dbraw/zinc/15/12/27/1196151227.db2.gz WSCDSGGZZQVWBN-UHFFFAOYSA-N 0 3 382.530 0.621 20 0 GCADHN COc1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)ccc1OCC(N)=O ZINC000474820040 1196153087 /nfs/dbraw/zinc/15/30/87/1196153087.db2.gz YSEJYJROZWYQDE-UHFFFAOYSA-N 0 3 392.500 0.705 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000474820596 1196153152 /nfs/dbraw/zinc/15/31/52/1196153152.db2.gz HGTPAXGOLFJUQY-ZDUSSCGKSA-N 0 3 378.439 0.930 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[C@@H]3[C@@H]1CCCN3CCO)CCO2 ZINC000896537178 1196154581 /nfs/dbraw/zinc/15/45/81/1196154581.db2.gz KTUYEAJAVAQCQL-ARLDDLHVSA-N 0 3 395.500 0.728 20 0 GCADHN CN1CC[C@@H]2OCCN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)[C@@H]2C1 ZINC000329000355 1196155397 /nfs/dbraw/zinc/15/53/97/1196155397.db2.gz XIUSKIWOJCFZNX-MSOLQXFVSA-N 0 3 396.447 0.555 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1 ZINC000329030536 1196157774 /nfs/dbraw/zinc/15/77/74/1196157774.db2.gz PMUNBZRTFKCBBX-SJORKVTESA-N 0 3 395.525 0.903 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1 ZINC000329030532 1196157872 /nfs/dbraw/zinc/15/78/72/1196157872.db2.gz PMUNBZRTFKCBBX-IAGOWNOFSA-N 0 3 395.525 0.903 20 0 GCADHN CCN1CCN(c2ccc(C(=O)NC[C@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000329034386 1196158118 /nfs/dbraw/zinc/15/81/18/1196158118.db2.gz BWDXDAIWTCVGDF-KRWDZBQOSA-N 0 3 381.498 0.372 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cc1C ZINC000329049325 1196159608 /nfs/dbraw/zinc/15/96/08/1196159608.db2.gz WAELMRALRFBTCL-MSOLQXFVSA-N 0 3 395.525 0.903 20 0 GCADHN O=S(=O)(NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cnn([C@@H]2CCOC2)c1 ZINC000443781099 1196160053 /nfs/dbraw/zinc/16/00/53/1196160053.db2.gz UMBZOQQICVWPFJ-NXHRZFHOSA-N 0 3 398.529 0.891 20 0 GCADHN CCCN1CCN(c2ccccc2CN2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000329090079 1196162517 /nfs/dbraw/zinc/16/25/17/1196162517.db2.gz IVSKYXVREAYUMH-SFHVURJKSA-N 0 3 385.512 0.361 20 0 GCADHN CS(=O)(=O)C1CCC(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000896562000 1196164631 /nfs/dbraw/zinc/16/46/31/1196164631.db2.gz RWXHVAAUHCNNON-BACDZXNISA-N 0 3 387.546 0.830 20 0 GCADHN CCN1CCN(C(=O)CC2CCN([C@H]3CC(=O)N(C4CC4)C3=O)CC2)CC1 ZINC000329184651 1196173908 /nfs/dbraw/zinc/17/39/08/1196173908.db2.gz GAKAHUCERICFKF-KRWDZBQOSA-N 0 3 376.501 0.543 20 0 GCADHN O=C(CSc1nnc2ccccn21)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000329293091 1196183497 /nfs/dbraw/zinc/18/34/97/1196183497.db2.gz BDDFIPIXYHJECD-UHFFFAOYSA-N 0 3 388.497 0.588 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CN(C)S(=O)(=O)c2cccnc2)CC1 ZINC000474881457 1196186411 /nfs/dbraw/zinc/18/64/11/1196186411.db2.gz RHDHWWWKWMZZDF-UHFFFAOYSA-N 0 3 398.529 0.708 20 0 GCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC000896689608 1196196717 /nfs/dbraw/zinc/19/67/17/1196196717.db2.gz YLSDSJMPZZAVIL-DLBZAZTESA-N 0 3 387.484 0.297 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCOCC1)N1CCC(CN2CCNC2=O)CC1 ZINC000896746549 1196202976 /nfs/dbraw/zinc/20/29/76/1196202976.db2.gz ARSWZIJRQDDRHG-KRWDZBQOSA-N 0 3 379.505 0.687 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 ZINC000665470380 1196205731 /nfs/dbraw/zinc/20/57/31/1196205731.db2.gz IPLUXOASYHECEM-UHFFFAOYSA-N 0 3 393.488 0.637 20 0 GCADHN O=C(CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]2C1)N1CCOCC1 ZINC001088000437 1196212350 /nfs/dbraw/zinc/21/23/50/1196212350.db2.gz HCUKODMHWCTIGS-YYIAUSFCSA-N 0 3 387.484 0.152 20 0 GCADHN CO[C@H](C)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000443811471 1196214699 /nfs/dbraw/zinc/21/46/99/1196214699.db2.gz OYZPGXFVQSZKQL-CYBMUJFWSA-N 0 3 376.457 0.474 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(CC(=O)N4CCCC4)C[C@H]3C2)O1 ZINC001088011422 1196216397 /nfs/dbraw/zinc/21/63/97/1196216397.db2.gz MNFHXOCPHSXMJB-ZJPYXAASSA-N 0 3 378.517 0.108 20 0 GCADHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1cnn(CC(N)=O)c1)N(C)C ZINC000443833820 1196220285 /nfs/dbraw/zinc/22/02/85/1196220285.db2.gz CRGBAVOLPOMFPE-GUYCJALGSA-N 0 3 386.456 0.423 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCCNc2ccc(-c3ccccc3)nn2)CC1=O ZINC000443840822 1196220789 /nfs/dbraw/zinc/22/07/89/1196220789.db2.gz NLISDCUWHZXKLP-KRWDZBQOSA-N 0 3 396.495 1.082 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCN(Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000475029764 1196226229 /nfs/dbraw/zinc/22/62/29/1196226229.db2.gz PZPHRVYZCNQPHL-HXUWFJFHSA-N 0 3 384.528 0.957 20 0 GCADHN CCN1CCN(CCNC(=O)[C@H](C)CS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000522638321 1196226553 /nfs/dbraw/zinc/22/65/53/1196226553.db2.gz LSKVRSQTYOZRRQ-MRXNPFEDSA-N 0 3 397.541 0.859 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC000522665247 1196228140 /nfs/dbraw/zinc/22/81/40/1196228140.db2.gz VKUMVEWMDXZNJW-INIZCTEOSA-N 0 3 391.520 0.345 20 0 GCADHN C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)n1nnnc1C(C)(C)C ZINC000329852138 1196234657 /nfs/dbraw/zinc/23/46/57/1196234657.db2.gz RGVRSEWCOACMKX-ZIAGYGMSSA-N 0 3 377.493 0.297 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c([C@@H]2CCOC2)n1 ZINC000329865024 1196235055 /nfs/dbraw/zinc/23/50/55/1196235055.db2.gz TWGZAKWRRBADCJ-ZBFHGGJFSA-N 0 3 375.473 0.303 20 0 GCADHN Cn1cc(CN2CC[C@@H]3CN(C(=O)CC[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)cn1 ZINC001088044922 1196239045 /nfs/dbraw/zinc/23/90/45/1196239045.db2.gz QHHVLNHPFUYTSK-XDNAFOTISA-N 0 3 389.500 0.514 20 0 GCADHN Cc1cc(NC(=O)CN[C@@H]2CCC[C@@]2(C)CO)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000329952411 1196241819 /nfs/dbraw/zinc/24/18/19/1196241819.db2.gz NEBNALJLHVIBPJ-VBQJREDUSA-N 0 3 384.502 0.630 20 0 GCADHN O=C([C@@H]1CCO[C@H]1C1CC1)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001088047975 1196244525 /nfs/dbraw/zinc/24/45/25/1196244525.db2.gz DRABDKWMZZZLRJ-YZLZLFLDSA-N 0 3 389.496 0.731 20 0 GCADHN CN1CCc2ccc(S(=O)(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cc21 ZINC000330054981 1196249031 /nfs/dbraw/zinc/24/90/31/1196249031.db2.gz SWVPUTFSJLJRJJ-KRWDZBQOSA-N 0 3 392.525 0.606 20 0 GCADHN CN1CCc2ccc(S(=O)(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)cc21 ZINC000330054982 1196249106 /nfs/dbraw/zinc/24/91/06/1196249106.db2.gz SWVPUTFSJLJRJJ-QGZVFWFLSA-N 0 3 392.525 0.606 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000280883141 1196263918 /nfs/dbraw/zinc/26/39/18/1196263918.db2.gz BEXZWZYIFBOLMO-YOEHRIQHSA-N 0 3 381.498 0.466 20 0 GCADHN C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1)CN1CCN(C)CC1 ZINC000281017788 1196270872 /nfs/dbraw/zinc/27/08/72/1196270872.db2.gz MHOBRIPWFPYGAR-CQSZACIVSA-N 0 3 398.533 0.337 20 0 GCADHN Cn1c2ncn(CCN3CC[C@H](OCc4ccncc4)C3)c2c(=O)n(C)c1=O ZINC000281125660 1196278776 /nfs/dbraw/zinc/27/87/76/1196278776.db2.gz XXDSBBXWWZTCMW-HNNXBMFYSA-N 0 3 384.440 0.120 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000281153207 1196281520 /nfs/dbraw/zinc/28/15/20/1196281520.db2.gz WMKLLBRWKAJBQQ-AWEZNQCLSA-N 0 3 398.533 0.479 20 0 GCADHN CN1CCC(NC(=O)c2noc3c2CN(C(=O)c2csnn2)CC3)CC1 ZINC001271231193 1196282013 /nfs/dbraw/zinc/28/20/13/1196282013.db2.gz OQSLADMSTADCCR-UHFFFAOYSA-N 0 3 376.442 0.549 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000487454667 1196291673 /nfs/dbraw/zinc/29/16/73/1196291673.db2.gz WTWJBTGYPGNHNW-YQQAZPJKSA-N 0 3 379.505 0.397 20 0 GCADHN CN(C)CCN1CCC2(CCN(C(=S)NCCC[S@@](C)=O)CC2)C1=O ZINC001279142233 1196301296 /nfs/dbraw/zinc/30/12/96/1196301296.db2.gz QWSGBYOBDRBJFD-RUZDIDTESA-N 0 3 388.603 0.506 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000167555968 1196303097 /nfs/dbraw/zinc/30/30/97/1196303097.db2.gz DLPQLHHOARTOSI-WMZOPIPTSA-N 0 3 376.501 0.242 20 0 GCADHN CCc1ccc([C@H](CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)N(C)C)cc1 ZINC000665536373 1196307197 /nfs/dbraw/zinc/30/71/97/1196307197.db2.gz PGVBRAJJUSAYQI-SJORKVTESA-N 0 3 382.530 0.883 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000522772190 1196307768 /nfs/dbraw/zinc/30/77/68/1196307768.db2.gz PSPNHVHIDZKEHV-HNNXBMFYSA-N 0 3 397.497 0.646 20 0 GCADHN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N(C)CCN(C)C ZINC000281561109 1196308890 /nfs/dbraw/zinc/30/88/90/1196308890.db2.gz WNWUAROLANTWGH-MRXNPFEDSA-N 0 3 376.457 0.563 20 0 GCADHN CN1CCN(CCNC(=O)NCc2cccnc2N2CCOCC2)CC1(C)C ZINC000281578014 1196309851 /nfs/dbraw/zinc/30/98/51/1196309851.db2.gz DSJOQGJUUXGGTP-UHFFFAOYSA-N 0 3 390.532 0.743 20 0 GCADHN CC(C)N1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)C1 ZINC000281582473 1196310442 /nfs/dbraw/zinc/31/04/42/1196310442.db2.gz MZFTZKHONCCJJR-MRXNPFEDSA-N 0 3 383.514 0.902 20 0 GCADHN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000281609551 1196315040 /nfs/dbraw/zinc/31/50/40/1196315040.db2.gz CBRQYASUKPTCSV-CJNGLKHVSA-N 0 3 376.457 0.609 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1(C)C ZINC000281869559 1196342672 /nfs/dbraw/zinc/34/26/72/1196342672.db2.gz HBBLYJHURGSGKN-UHFFFAOYSA-N 0 3 387.484 0.652 20 0 GCADHN COc1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)ccc1OCC(N)=O ZINC000281892758 1196344490 /nfs/dbraw/zinc/34/44/90/1196344490.db2.gz YJKXFMZLDVYWIG-UHFFFAOYSA-N 0 3 378.473 0.315 20 0 GCADHN Cc1nc(CC(=O)N2CCOC[C@]3(CC(=O)N(CCN(C)C)C3)C2)cs1 ZINC001271389895 1196348686 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/nfs/dbraw/zinc/59/02/65/1196590265.db2.gz DJRUWVBAISJSOY-UONOGXRCSA-N 0 3 382.486 0.475 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000445787876 1196591305 /nfs/dbraw/zinc/59/13/05/1196591305.db2.gz VCNZAPLFDXZWSZ-GJZGRUSLSA-N 0 3 382.486 0.509 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)CN1CCN(C)CC1 ZINC000524416922 1196593743 /nfs/dbraw/zinc/59/37/43/1196593743.db2.gz WIBVOPWBJQRGIY-VQHPVUNQSA-N 0 3 378.517 0.550 20 0 GCADHN CC(C)[C@H](CC(F)(F)F)NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000445892926 1196597772 /nfs/dbraw/zinc/59/77/72/1196597772.db2.gz GHLLFQVEXCDEQE-KGLIPLIRSA-N 0 3 399.479 0.884 20 0 GCADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000524467918 1196597977 /nfs/dbraw/zinc/59/79/77/1196597977.db2.gz YOEBFRHVJKIAHI-SJORKVTESA-N 0 3 377.533 0.951 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000524473625 1196598438 /nfs/dbraw/zinc/59/84/38/1196598438.db2.gz XZULUZOJQKNDII-IKGGRYGDSA-N 0 3 395.548 0.875 20 0 GCADHN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000445923596 1196599567 /nfs/dbraw/zinc/59/95/67/1196599567.db2.gz CAKAHIRYUFZLPG-UHFFFAOYSA-N 0 3 398.529 0.982 20 0 GCADHN O=C(CN1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1)NCc1ccccc1 ZINC000524492238 1196599769 /nfs/dbraw/zinc/59/97/69/1196599769.db2.gz KYJDTRRDBZFICN-GOSISDBHSA-N 0 3 385.512 0.867 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000508553595 1196611247 /nfs/dbraw/zinc/61/12/47/1196611247.db2.gz ASXKQTBRWBPDRQ-GDBMZVCRSA-N 0 3 379.505 0.239 20 0 GCADHN CCN1CC[C@@H]1CNC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000897346680 1196613282 /nfs/dbraw/zinc/61/32/82/1196613282.db2.gz XUAMHIIYPUVHOC-LJQANCHMSA-N 0 3 387.528 0.131 20 0 GCADHN O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000524719034 1196619268 /nfs/dbraw/zinc/61/92/68/1196619268.db2.gz QFTOGORJOUTRJA-GQIGUUNPSA-N 0 3 385.468 0.788 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000446189246 1196620918 /nfs/dbraw/zinc/62/09/18/1196620918.db2.gz PSXJPHFEIQTKAT-JZKQVHKSSA-N 0 3 392.500 0.890 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000446189248 1196621053 /nfs/dbraw/zinc/62/10/53/1196621053.db2.gz PSXJPHFEIQTKAT-MNVSYLFESA-N 0 3 392.500 0.890 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000446270431 1196629958 /nfs/dbraw/zinc/62/99/58/1196629958.db2.gz SHKBPNQZQXKSKX-BXTJHSDWSA-N 0 3 387.484 0.362 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000446279928 1196630549 /nfs/dbraw/zinc/63/05/49/1196630549.db2.gz GCZGTBKEFNPCLX-BLIXFSHQSA-N 0 3 392.544 0.676 20 0 GCADHN COc1cc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)ccc1OCC(N)=O ZINC000446383156 1196639189 /nfs/dbraw/zinc/63/91/89/1196639189.db2.gz SJXUZRCKTKGXFP-WSXQUGQNSA-N 0 3 391.468 0.708 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000446378259 1196639229 /nfs/dbraw/zinc/63/92/29/1196639229.db2.gz ZXFIOWYXKBXTHO-JCKWVBRZSA-N 0 3 394.497 0.724 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000446386838 1196639729 /nfs/dbraw/zinc/63/97/29/1196639729.db2.gz SGJWZZIWNZSBNN-DAYGRLMNSA-N 0 3 381.498 0.614 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cn(C)nc2C(F)(F)F)CC1 ZINC000446466481 1196643092 /nfs/dbraw/zinc/64/30/92/1196643092.db2.gz LFKHVNMBEFVBQB-LLVKDONJSA-N 0 3 390.410 0.520 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000524990839 1196643393 /nfs/dbraw/zinc/64/33/93/1196643393.db2.gz CPCIAKHKEIRXDX-YLJYHZDGSA-N 0 3 376.501 0.643 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000525196495 1196655926 /nfs/dbraw/zinc/65/59/26/1196655926.db2.gz NNKDDBZTGCYNJC-GASCZTMLSA-N 0 3 395.500 0.894 20 0 GCADHN CCc1nsc(N2CCN(C(=O)NCCCCN3CCN(C)CC3)CC2)n1 ZINC000525249029 1196659539 /nfs/dbraw/zinc/65/95/39/1196659539.db2.gz QCQMVZLQQXSNFH-UHFFFAOYSA-N 0 3 395.577 0.960 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCc2cc[nH]n2)cc1)[C@H]1CCCN(C)C1 ZINC000525268460 1196662513 /nfs/dbraw/zinc/66/25/13/1196662513.db2.gz HPUFKKYGHINKJH-KRWDZBQOSA-N 0 3 398.467 0.831 20 0 GCADHN CN(C)C(=O)c1cc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccn1 ZINC000525420840 1196681763 /nfs/dbraw/zinc/68/17/63/1196681763.db2.gz VECIBRVKNDHHAE-UHFFFAOYSA-N 0 3 388.472 0.555 20 0 GCADHN COc1ccc(CN(C(=O)C[C@H]2CNCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000429695822 1196693280 /nfs/dbraw/zinc/69/32/80/1196693280.db2.gz ISUWYZAKFHNCID-WBVHZDCISA-N 0 3 382.482 0.589 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(F)c(OC)cc2OC)CC1 ZINC000447244467 1196701873 /nfs/dbraw/zinc/70/18/73/1196701873.db2.gz APJPQAOSUPKFKY-UHFFFAOYSA-N 0 3 382.436 0.535 20 0 GCADHN C[C@@H]1CN(Cc2nnnn2CCOCC(F)(F)F)CCN1CC(C)(C)O ZINC000447270788 1196704320 /nfs/dbraw/zinc/70/43/20/1196704320.db2.gz KDIGXEHUXCNFQP-GFCCVEGCSA-N 0 3 380.415 0.529 20 0 GCADHN C[C@H](CNC(=O)Nc1nc(CN2CCOCC2)cs1)CN1CCN(C)CC1 ZINC000525736005 1196705481 /nfs/dbraw/zinc/70/54/81/1196705481.db2.gz BBSXPZFABAGRMC-OAHLLOKOSA-N 0 3 396.561 0.980 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000525779750 1196709345 /nfs/dbraw/zinc/70/93/45/1196709345.db2.gz BOXXWWSOEPBSKV-IBGZPJMESA-N 0 3 394.560 0.888 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000525806905 1196711787 /nfs/dbraw/zinc/71/17/87/1196711787.db2.gz HJYQTRAZXXYGCR-OAHLLOKOSA-N 0 3 391.582 0.277 20 0 GCADHN COCC[C@@]1(NCC(=O)NCC(=O)Nc2cc(C)ccc2OC)CCOC1 ZINC000447404975 1196717353 /nfs/dbraw/zinc/71/73/53/1196717353.db2.gz VQXSCHWHOQRKPE-LJQANCHMSA-N 0 3 379.457 0.844 20 0 GCADHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C1 ZINC000447427601 1196718083 /nfs/dbraw/zinc/71/80/83/1196718083.db2.gz SMVKIWGNQFTIOS-UHFFFAOYSA-N 0 3 384.484 1.503 20 0 GCADHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1 ZINC000447418901 1196719121 /nfs/dbraw/zinc/71/91/21/1196719121.db2.gz PXPAMKXRWDRJGS-UHFFFAOYSA-N 0 3 382.486 0.662 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000525885191 1196721162 /nfs/dbraw/zinc/72/11/62/1196721162.db2.gz WPOSKPBFQNEZTQ-ZBFHGGJFSA-N 0 3 388.468 0.965 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000525906007 1196723473 /nfs/dbraw/zinc/72/34/73/1196723473.db2.gz LWBFOSCFGWRAKR-UHFFFAOYSA-N 0 3 383.452 0.834 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000525896590 1196724648 /nfs/dbraw/zinc/72/46/48/1196724648.db2.gz BENFKJGZQYNWRZ-UHFFFAOYSA-N 0 3 388.472 0.811 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)NC(=O)NCc1ccccc1 ZINC000429720453 1196736186 /nfs/dbraw/zinc/73/61/86/1196736186.db2.gz QDVMGUYAODJCJY-CABCVRRESA-N 0 3 382.486 0.462 20 0 GCADHN CCN1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)[C@H](C)C1=O ZINC000526595284 1196746291 /nfs/dbraw/zinc/74/62/91/1196746291.db2.gz UBTOEVXDBLKUEG-CYBMUJFWSA-N 0 3 376.457 0.775 20 0 GCADHN CCN1CCCN(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)CC1 ZINC000665940032 1196748526 /nfs/dbraw/zinc/74/85/26/1196748526.db2.gz ZHBJTUKQPSFTBZ-INIZCTEOSA-N 0 3 389.566 0.678 20 0 GCADHN CCOC(=O)c1nc(C2CCN(C(=O)NCCOCC[NH+](C)C)CC2)n[n-]1 ZINC000447819030 1196750249 /nfs/dbraw/zinc/75/02/49/1196750249.db2.gz WAQPCNVRFYGRFF-UHFFFAOYSA-N 0 3 382.465 0.449 20 0 GCADHN CCOC(=O)c1nnc(C2CCN(C(=O)NCCOCC[NH+](C)C)CC2)[n-]1 ZINC000447819030 1196750251 /nfs/dbraw/zinc/75/02/51/1196750251.db2.gz WAQPCNVRFYGRFF-UHFFFAOYSA-N 0 3 382.465 0.449 20 0 GCADHN C[C@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)C[C@@H](CO)O1 ZINC000527039092 1196757489 /nfs/dbraw/zinc/75/74/89/1196757489.db2.gz SBCCVGIZCOGQFG-KXBFYZLASA-N 0 3 377.485 0.935 20 0 GCADHN C[C@H](N[C@@H](CO)[C@@H]1CCCO1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000447900410 1196759787 /nfs/dbraw/zinc/75/97/87/1196759787.db2.gz BXXXBHWKEATFOE-UBHSHLNASA-N 0 3 379.413 0.624 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N[C@H](CO)[C@@H]3CCCO3)cc2)CC1 ZINC000447968649 1196762441 /nfs/dbraw/zinc/76/24/41/1196762441.db2.gz QZYGZYYIKNDCIR-MOPGFXCFSA-N 0 3 376.501 0.773 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC000665943482 1196765654 /nfs/dbraw/zinc/76/56/54/1196765654.db2.gz VXPUDFLWAAYDDT-MRXNPFEDSA-N 0 3 391.582 0.923 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000448223416 1196782147 /nfs/dbraw/zinc/78/21/47/1196782147.db2.gz DHIFHAORNIPTTH-QGZVFWFLSA-N 0 3 388.468 0.931 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448323940 1196792624 /nfs/dbraw/zinc/79/26/24/1196792624.db2.gz ZVRXAUMKLOJZOG-GFCCVEGCSA-N 0 3 378.477 0.726 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000448323900 1196792947 /nfs/dbraw/zinc/79/29/47/1196792947.db2.gz ZWIWILFAMIEVAD-CQSZACIVSA-N 0 3 382.486 0.509 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCC2=O)c1)CN1CCN(C)CC1 ZINC000448360287 1196794083 /nfs/dbraw/zinc/79/40/83/1196794083.db2.gz SIWISDPUCKGHFS-HNNXBMFYSA-N 0 3 387.484 0.362 20 0 GCADHN COc1ccc(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)cc1Cl ZINC001271950878 1196798821 /nfs/dbraw/zinc/79/88/21/1196798821.db2.gz VIVNOKBQDNWAJB-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN CNC(=O)Cn1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)cn1 ZINC000448472524 1196804825 /nfs/dbraw/zinc/80/48/25/1196804825.db2.gz INLJFERIXJHCRH-UHFFFAOYSA-N 0 3 386.456 0.158 20 0 GCADHN CCn1nccc1NC(=O)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000448493770 1196807421 /nfs/dbraw/zinc/80/74/21/1196807421.db2.gz ZMUIODMFPDNZMJ-UHFFFAOYSA-N 0 3 384.484 0.905 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)Cn2cc(C(C)=O)nn2)CC1 ZINC000448693308 1196824280 /nfs/dbraw/zinc/82/42/80/1196824280.db2.gz BISVFNGLYXBVNG-UHFFFAOYSA-N 0 3 384.484 0.935 20 0 GCADHN CNS(=O)(=O)NCC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000448735115 1196827648 /nfs/dbraw/zinc/82/76/48/1196827648.db2.gz IDQYGZYUZYRRHI-MRXNPFEDSA-N 0 3 382.530 0.629 20 0 GCADHN CC(=O)NC[C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)CC(C)C ZINC000448902984 1196838469 /nfs/dbraw/zinc/83/84/69/1196838469.db2.gz DZBLLEVZGNNYEX-SFHVURJKSA-N 0 3 380.533 0.942 20 0 GCADHN COc1cccc(-n2cc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)nn2)c1 ZINC000448904801 1196838832 /nfs/dbraw/zinc/83/88/32/1196838832.db2.gz URXBBJYGDWZBMV-UHFFFAOYSA-N 0 3 398.467 0.656 20 0 GCADHN CCN1CCCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000118826096 1196867140 /nfs/dbraw/zinc/86/71/40/1196867140.db2.gz CZGOJSUKPSMIHU-HNNXBMFYSA-N 0 3 382.530 0.409 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000528562119 1196868117 /nfs/dbraw/zinc/86/81/17/1196868117.db2.gz XLNTULBMQFIKMC-KRWDZBQOSA-N 0 3 388.512 0.915 20 0 GCADHN O=C(CN1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1)N1CCCC1 ZINC000528716682 1196879857 /nfs/dbraw/zinc/87/98/57/1196879857.db2.gz UVVDCKQAXBHISG-UHFFFAOYSA-N 0 3 387.484 0.941 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528707927 1196880610 /nfs/dbraw/zinc/88/06/10/1196880610.db2.gz HNXHFSGRDGHMSD-UHFFFAOYSA-N 0 3 397.501 0.561 20 0 GCADHN CC1(N2CCOCC2)CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000528729378 1196882064 /nfs/dbraw/zinc/88/20/64/1196882064.db2.gz SEWVWDFVRJYHES-UHFFFAOYSA-N 0 3 378.517 0.254 20 0 GCADHN CC1(N2CCOCC2)CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000528727508 1196882111 /nfs/dbraw/zinc/88/21/11/1196882111.db2.gz SVFFMBUBVLBIGD-UHFFFAOYSA-N 0 3 388.516 0.312 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000528738812 1196886308 /nfs/dbraw/zinc/88/63/08/1196886308.db2.gz QXYLNHXUXYWCJI-GOSISDBHSA-N 0 3 386.496 0.819 20 0 GCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCCN1CCN(C)CC1)C2=O ZINC000041362859 1196896031 /nfs/dbraw/zinc/89/60/31/1196896031.db2.gz OKVLZFLNLFHPNL-UZLBHIALSA-N 0 3 393.532 0.631 20 0 GCADHN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCCN1CCN(C)CC1)C2=O ZINC000041362861 1196896073 /nfs/dbraw/zinc/89/60/73/1196896073.db2.gz OKVLZFLNLFHPNL-JXFKEZNVSA-N 0 3 393.532 0.631 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CN(C)c2ncnc3[nH]cnc32)C[C@H](C)O1 ZINC000119563630 1196896195 /nfs/dbraw/zinc/89/61/95/1196896195.db2.gz ZCABUOGQZDENPM-ZNMIVQPWSA-N 0 3 387.488 0.889 20 0 GCADHN Cc1ncc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)CC[C@@H]3C2)[nH]1 ZINC000985828005 1196909389 /nfs/dbraw/zinc/90/93/89/1196909389.db2.gz LRSDZBKWAXQMTI-JJAZEVLHSA-N 0 3 375.473 0.358 20 0 GCADHN CCOC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000371583689 1196910088 /nfs/dbraw/zinc/91/00/88/1196910088.db2.gz ZYLYWYIDXRGLQI-ZIAGYGMSSA-N 0 3 375.425 0.781 20 0 GCADHN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000529409096 1196921205 /nfs/dbraw/zinc/92/12/05/1196921205.db2.gz HFLRXONWBFJTBJ-DOTOQJQBSA-N 0 3 381.498 0.863 20 0 GCADHN O=C(NC[C@H]1CCCCN1CCO)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529441770 1196922038 /nfs/dbraw/zinc/92/20/38/1196922038.db2.gz IROBHMBBDLAZNZ-GOSISDBHSA-N 0 3 375.469 0.736 20 0 GCADHN COCCc1noc(CC2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)n1 ZINC000529731789 1196932706 /nfs/dbraw/zinc/93/27/06/1196932706.db2.gz BBUORNIJTQOZMU-INIZCTEOSA-N 0 3 377.489 0.430 20 0 GCADHN COC[C@]1(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)COc2ccccc2C1 ZINC000529960648 1196954540 /nfs/dbraw/zinc/95/45/40/1196954540.db2.gz MROQGGXAAKBMBL-JXFKEZNVSA-N 0 3 375.469 0.533 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000530326468 1196978731 /nfs/dbraw/zinc/97/87/31/1196978731.db2.gz RBUWQHJSQNPSTL-UHFFFAOYSA-N 0 3 395.467 0.417 20 0 GCADHN CCOC(=O)c1ccc(CS(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000451227062 1196981377 /nfs/dbraw/zinc/98/13/77/1196981377.db2.gz KKPNKMGCHATYED-UHFFFAOYSA-N 0 3 384.498 0.987 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)[N-]CCN2CCC([NH+](C)C)CC2)c(F)c1 ZINC000530378595 1196983798 /nfs/dbraw/zinc/98/37/98/1196983798.db2.gz ZNRUVTCJECBXKP-UHFFFAOYSA-N 0 3 387.477 0.917 20 0 GCADHN COCn1nccc1S(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000530430945 1196986744 /nfs/dbraw/zinc/98/67/44/1196986744.db2.gz RYZBCQVFEHSRJW-UHFFFAOYSA-N 0 3 385.534 0.525 20 0 GCADHN CCO[C@@H]1C[C@H](NCC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C12CCC2 ZINC000451477567 1196994118 /nfs/dbraw/zinc/99/41/18/1196994118.db2.gz XIOLDDBBJZEHOM-HRCADAONSA-N 0 3 388.530 0.586 20 0 GCADHN CO[C@@H]1C[C@H](NCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000451498747 1196995887 /nfs/dbraw/zinc/99/58/87/1196995887.db2.gz NECBZGGQRYBNLN-FXUDXRNXSA-N 0 3 388.530 0.584 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c(OC)c(OC)c1 ZINC000530567381 1196996737 /nfs/dbraw/zinc/99/67/37/1196996737.db2.gz XTNAJKMWVNZIJU-LBPRGKRZSA-N 0 3 393.440 0.887 20 0 GCADHN CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000530591109 1196998374 /nfs/dbraw/zinc/99/83/74/1196998374.db2.gz GUIGTMPMOLHDRP-MRXNPFEDSA-N 0 3 380.514 0.834 20 0 GCADHN CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CCOCC1 ZINC000530627195 1197000562 /nfs/dbraw/zinc/00/05/62/1197000562.db2.gz JWVKHTVCCAKALA-UHFFFAOYSA-N 0 3 399.488 0.769 20 0 GCADHN c1ccc(N2CCN(C[C@@H]3CCCN(c4nccn5nnnc45)C3)CC2)nc1 ZINC000530663840 1197003522 /nfs/dbraw/zinc/00/35/22/1197003522.db2.gz DFLOZIVQSLALLC-INIZCTEOSA-N 0 3 379.472 0.953 20 0 GCADHN C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000530674138 1197007327 /nfs/dbraw/zinc/00/73/27/1197007327.db2.gz TWUIKYIPADGHKQ-UHFFFAOYSA-N 0 3 387.440 0.492 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)S(C)(=O)=O ZINC000451695016 1197009099 /nfs/dbraw/zinc/00/90/99/1197009099.db2.gz MIUBQJXSUJSWFM-IKGGRYGDSA-N 0 3 389.562 0.646 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CC1 ZINC000451719255 1197012264 /nfs/dbraw/zinc/01/22/64/1197012264.db2.gz WWDFQPVHSOZRSY-KURKYZTESA-N 0 3 394.560 0.528 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000530735142 1197014280 /nfs/dbraw/zinc/01/42/80/1197014280.db2.gz MMXDXHLGSUBDCI-QZTJIDSGSA-N 0 3 398.573 0.983 20 0 GCADHN CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)c2)C1=O ZINC000530809046 1197018256 /nfs/dbraw/zinc/01/82/56/1197018256.db2.gz UOSJZJDWDIZTDP-ZBFHGGJFSA-N 0 3 399.451 0.719 20 0 GCADHN O=C(NCc1nnc2n1CCC2)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000530869258 1197023636 /nfs/dbraw/zinc/02/36/36/1197023636.db2.gz FXDRZZLYHYWKMS-IRXDYDNUSA-N 0 3 384.484 0.907 20 0 GCADHN CN(CCNC(=O)C1CCN(c2nccn3nnnc23)CC1)Cc1ccccc1 ZINC000530903409 1197025517 /nfs/dbraw/zinc/02/55/17/1197025517.db2.gz XMVJZUMJIOXAMG-UHFFFAOYSA-N 0 3 394.483 0.984 20 0 GCADHN CCN(CC)CC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001059689518 1197027093 /nfs/dbraw/zinc/02/70/93/1197027093.db2.gz UCEZWHGSWLNAFR-VUHPKUFZSA-N 0 3 381.517 0.735 20 0 GCADHN C[C@H](CNC(=O)N[C@@H]1CCN(c2ncccc2F)C1)CN1CCN(C)CC1 ZINC000122491179 1197038219 /nfs/dbraw/zinc/03/82/19/1197038219.db2.gz HQAZMLVCCBNIIH-HZPDHXFCSA-N 0 3 378.496 0.982 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000531014128 1197039184 /nfs/dbraw/zinc/03/91/84/1197039184.db2.gz GNJGDAJPDKBMOA-GOSISDBHSA-N 0 3 381.477 0.117 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000531045073 1197041808 /nfs/dbraw/zinc/04/18/08/1197041808.db2.gz OKCQEXORIWTKRG-HNNXBMFYSA-N 0 3 388.468 0.556 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000531045206 1197042248 /nfs/dbraw/zinc/04/22/48/1197042248.db2.gz QOPOXCWCTUWPFV-AWEZNQCLSA-N 0 3 376.457 0.598 20 0 GCADHN CO[C@H](CNC(=O)[C@H]1CCN1C(C)(C)C)CNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897366041 1197049647 /nfs/dbraw/zinc/04/96/47/1197049647.db2.gz HVRHYCLDEPSTDC-PHZGNYQRSA-N 0 3 382.549 0.979 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000531167328 1197050476 /nfs/dbraw/zinc/05/04/76/1197050476.db2.gz NVVSVKKGUZLOKQ-CYBMUJFWSA-N 0 3 383.470 0.389 20 0 GCADHN CC(C)(C)N1C[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000531182362 1197052312 /nfs/dbraw/zinc/05/23/12/1197052312.db2.gz MBXYLLYNWGAAHH-OAHLLOKOSA-N 0 3 379.505 0.335 20 0 GCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000452345304 1197052818 /nfs/dbraw/zinc/05/28/18/1197052818.db2.gz DVMIYJYEECSALP-OAHLLOKOSA-N 0 3 383.514 0.870 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000452347349 1197053691 /nfs/dbraw/zinc/05/36/91/1197053691.db2.gz IKJWRHCEOFPYFN-INIZCTEOSA-N 0 3 381.498 0.704 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCN(CCCO)C2)cc1C ZINC000452374140 1197057848 /nfs/dbraw/zinc/05/78/48/1197057848.db2.gz JHMKXQJGCPIAPQ-KRWDZBQOSA-N 0 3 397.541 0.935 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CC[C@H](C)C2)c2ccccc2O1 ZINC000531283577 1197062463 /nfs/dbraw/zinc/06/24/63/1197062463.db2.gz VEFNGWOKTJUWAX-BBRMVZONSA-N 0 3 375.425 0.412 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000531283392 1197062530 /nfs/dbraw/zinc/06/25/30/1197062530.db2.gz LLFXXPLFFHBOLO-ZDUSSCGKSA-N 0 3 396.513 0.642 20 0 GCADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(CN(C)C)c1 ZINC000531282874 1197062593 /nfs/dbraw/zinc/06/25/93/1197062593.db2.gz VBFDWUZRFQFPBD-INIZCTEOSA-N 0 3 381.498 0.514 20 0 GCADHN COCCN1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1 ZINC000531398450 1197073574 /nfs/dbraw/zinc/07/35/74/1197073574.db2.gz YWIJTJLJWLQTHY-UHFFFAOYSA-N 0 3 378.473 0.486 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000123034666 1197076986 /nfs/dbraw/zinc/07/69/86/1197076986.db2.gz XHDWBPJVYZPRAM-JQHSSLGASA-N 0 3 376.501 0.894 20 0 GCADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000531484966 1197079226 /nfs/dbraw/zinc/07/92/26/1197079226.db2.gz DXZKXFDESDHZOC-ZACQAIPSSA-N 0 3 393.532 0.186 20 0 GCADHN C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452781821 1197081170 /nfs/dbraw/zinc/08/11/70/1197081170.db2.gz IQSAPBOESCMFTA-OXJNMPFZSA-N 0 3 375.469 0.356 20 0 GCADHN NS(=O)(=O)c1cccc2c1ccnc2C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452793662 1197082277 /nfs/dbraw/zinc/08/22/77/1197082277.db2.gz DRBYSMVOGQCWHC-ZDUSSCGKSA-N 0 3 392.481 0.459 20 0 GCADHN Cn1cnc(S(=O)(=O)NCC(=O)N(CCN2CCCC2)c2ccccc2)c1 ZINC000531534187 1197082320 /nfs/dbraw/zinc/08/23/20/1197082320.db2.gz GDIWMCRNSCCJOM-UHFFFAOYSA-N 0 3 391.497 0.827 20 0 GCADHN O=C(CC1(C(=O)NC[C@H]2CCCCN2CCO)CCCC1)N1CCOCC1 ZINC000452800593 1197083168 /nfs/dbraw/zinc/08/31/68/1197083168.db2.gz RVQDPPHOMCFTDD-QGZVFWFLSA-N 0 3 381.517 0.759 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)CN1Cc1ccccc1 ZINC000531597798 1197087098 /nfs/dbraw/zinc/08/70/98/1197087098.db2.gz PAIVRZCEZGCMCW-SJLPKXTDSA-N 0 3 394.541 0.343 20 0 GCADHN C[C@H](NCCNC(=O)c1cnccn1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000531708547 1197093475 /nfs/dbraw/zinc/09/34/75/1197093475.db2.gz HIZPWOOIOXZCSS-ZDUSSCGKSA-N 0 3 377.470 0.808 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000531722854 1197095347 /nfs/dbraw/zinc/09/53/47/1197095347.db2.gz XBGQYQQDNICIQU-OAHLLOKOSA-N 0 3 376.457 0.775 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C1 ZINC000531811012 1197098013 /nfs/dbraw/zinc/09/80/13/1197098013.db2.gz JOMHHEBPFQTPFO-ZDUSSCGKSA-N 0 3 382.486 0.479 20 0 GCADHN C[C@H](CNC(=O)NCc1ccc2c(c1)CCS2(=O)=O)CN1CCN(C)CC1 ZINC000531806780 1197098954 /nfs/dbraw/zinc/09/89/54/1197098954.db2.gz RCXIUYMQCRFDLP-OAHLLOKOSA-N 0 3 394.541 0.699 20 0 GCADHN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000375490214 1197100035 /nfs/dbraw/zinc/10/00/35/1197100035.db2.gz HTMHUZGZBRPOMT-BFYDXBDKSA-N 0 3 394.516 0.960 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000666012002 1197101220 /nfs/dbraw/zinc/10/12/20/1197101220.db2.gz REFPRBAAWWQETF-UHFFFAOYSA-N 0 3 379.461 0.295 20 0 GCADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000453574244 1197111376 /nfs/dbraw/zinc/11/13/76/1197111376.db2.gz LBUQCNBMCBGTFY-UHFFFAOYSA-N 0 3 394.859 0.710 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000532077793 1197112104 /nfs/dbraw/zinc/11/21/04/1197112104.db2.gz HNZTXTSVKULZHG-SWLSCSKDSA-N 0 3 399.538 0.982 20 0 GCADHN CCOc1ncc(C)cc1NC(=O)C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000453589538 1197112561 /nfs/dbraw/zinc/11/25/61/1197112561.db2.gz FJSSXTJREUHGOW-HNNXBMFYSA-N 0 3 377.489 0.869 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000532094674 1197113188 /nfs/dbraw/zinc/11/31/88/1197113188.db2.gz AJLPLRUYNBQARK-SJORKVTESA-N 0 3 375.521 0.711 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(n2)CCC3)CC1 ZINC000453634566 1197115139 /nfs/dbraw/zinc/11/51/39/1197115139.db2.gz KHTOXCVIEVBAOZ-UHFFFAOYSA-N 0 3 385.468 0.275 20 0 GCADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000532170875 1197123151 /nfs/dbraw/zinc/12/31/51/1197123151.db2.gz KQHOHOMRAZTKMN-ULQDDVLXSA-N 0 3 381.521 0.269 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000453751129 1197130368 /nfs/dbraw/zinc/13/03/68/1197130368.db2.gz JQULWCHZQCZPEY-VKJFTORMSA-N 0 3 386.452 0.935 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c(F)c1 ZINC000453802616 1197137850 /nfs/dbraw/zinc/13/78/50/1197137850.db2.gz DGRBCNLYLIEAOZ-CYBMUJFWSA-N 0 3 381.404 0.514 20 0 GCADHN CC(C)(C)CCN1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000064037702 1197138493 /nfs/dbraw/zinc/13/84/93/1197138493.db2.gz CZDOTRFGMWZWKN-GOSISDBHSA-N 0 3 394.560 0.748 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c(C)cc1C ZINC000453805859 1197138993 /nfs/dbraw/zinc/13/89/93/1197138993.db2.gz MDKMLRFKTDCDMN-HNNXBMFYSA-N 0 3 391.468 0.992 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000453805906 1197139215 /nfs/dbraw/zinc/13/92/15/1197139215.db2.gz MLXZYXSTGYHGCR-KRWDZBQOSA-N 0 3 388.468 0.715 20 0 GCADHN COC(=O)c1scc(C)c1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453808737 1197139478 /nfs/dbraw/zinc/13/94/78/1197139478.db2.gz SOTJFUMSHOFJMQ-LBPRGKRZSA-N 0 3 383.470 0.745 20 0 GCADHN CN(C)c1nc2ccc(NC(=O)C(=O)NC[C@H]3CCCN3CCCO)cc2o1 ZINC000453809741 1197139897 /nfs/dbraw/zinc/13/98/97/1197139897.db2.gz VSCSBKQXPTXGJI-CQSZACIVSA-N 0 3 389.456 0.795 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000532323296 1197144069 /nfs/dbraw/zinc/14/40/69/1197144069.db2.gz GDELDSSHHJRGNC-SFHVURJKSA-N 0 3 397.541 0.895 20 0 GCADHN C[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000453897928 1197146620 /nfs/dbraw/zinc/14/66/20/1197146620.db2.gz LLYBGPPQEBBYBX-XJKSGUPXSA-N 0 3 376.457 0.865 20 0 GCADHN CC(C)(C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2C1)N1CCCCC1 ZINC000986150993 1197149426 /nfs/dbraw/zinc/14/94/26/1197149426.db2.gz JBJKTGQHUUELAL-TWMKSMIVSA-N 0 3 390.528 0.679 20 0 GCADHN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000453912099 1197149989 /nfs/dbraw/zinc/14/99/89/1197149989.db2.gz CRUPYNJYHKOOTI-PBHICJAKSA-N 0 3 396.451 0.381 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C4(N(C)C)CCC4)CC[C@@H]3C2)C1 ZINC000986186117 1197152823 /nfs/dbraw/zinc/15/28/23/1197152823.db2.gz LLYMYCKGOGLUGP-WCXIOVBPSA-N 0 3 390.528 0.692 20 0 GCADHN COCCN(C)CCNC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)OC)C1 ZINC000454442336 1197154731 /nfs/dbraw/zinc/15/47/31/1197154731.db2.gz QRHOIOGGQTUZPG-DLBZAZTESA-N 0 3 379.457 0.868 20 0 GCADHN CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N3C[C@H]4CCN(C)[C@H]4C3)c2)CC1 ZINC000453917282 1197155191 /nfs/dbraw/zinc/15/51/91/1197155191.db2.gz MARZFDQSVOCBGM-APWZRJJASA-N 0 3 399.495 0.456 20 0 GCADHN COc1c(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc(Cl)cc1C(N)=O ZINC000453917008 1197155536 /nfs/dbraw/zinc/15/55/36/1197155536.db2.gz LQUGMHXEMXVVDM-TVQRCGJNSA-N 0 3 380.832 0.549 20 0 GCADHN CC(C)(O)CN1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000171147287 1197157425 /nfs/dbraw/zinc/15/74/25/1197157425.db2.gz IQXBPQPGXCXVBW-UHFFFAOYSA-N 0 3 396.576 0.526 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN3C[C@@H](C(N)=O)CC[C@H]3C)CC2)cc1 ZINC000171925277 1197159167 /nfs/dbraw/zinc/15/91/67/1197159167.db2.gz KEGDWMJYGLHHHI-AEFFLSMTSA-N 0 3 388.512 0.925 20 0 GCADHN CC(=O)N[C@@](C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1)C(C)C ZINC001719906693 1197160216 /nfs/dbraw/zinc/16/02/16/1197160216.db2.gz TVUYDSTUWXNBDC-PDOICOKGSA-N 0 3 378.517 0.881 20 0 GCADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cn1 ZINC000453918766 1197160807 /nfs/dbraw/zinc/16/08/07/1197160807.db2.gz OIXIBHVLMDNVPD-GXTWGEPZSA-N 0 3 377.445 0.282 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)C[C@@H]21 ZINC000453918799 1197161553 /nfs/dbraw/zinc/16/15/53/1197161553.db2.gz OLCBTGNQVAOFIQ-CJNGLKHVSA-N 0 3 399.451 0.765 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)C1 ZINC000986257788 1197161823 /nfs/dbraw/zinc/16/18/23/1197161823.db2.gz CJFQXLMFSDPIJF-WCXIOVBPSA-N 0 3 390.528 0.692 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@@H]3C2)O1 ZINC000986261001 1197161918 /nfs/dbraw/zinc/16/19/18/1197161918.db2.gz XFPPEEZZNNDSIY-ZJPYXAASSA-N 0 3 392.544 0.497 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1(C)C ZINC000262818598 1197168181 /nfs/dbraw/zinc/16/81/81/1197168181.db2.gz XKLYYWOWIWFVDE-QINHECLXSA-N 0 3 380.533 0.674 20 0 GCADHN CCN1CCN([C@H]2CCN(c3ccc(S(=O)(=O)NCC4CC4)cn3)C2)CC1 ZINC000172757827 1197174060 /nfs/dbraw/zinc/17/40/60/1197174060.db2.gz ZXLNBYLCOBEERL-KRWDZBQOSA-N 0 3 393.557 0.986 20 0 GCADHN CCN1CCN(c2ccc(C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000173651124 1197177781 /nfs/dbraw/zinc/17/77/81/1197177781.db2.gz CYPKVSDUXQVEPC-MRXNPFEDSA-N 0 3 380.514 0.592 20 0 GCADHN CC(C)[C@H](CNC(=O)N1CCC[C@@H]1CN1CCOCC1)N1CCN(C)CC1 ZINC000173684116 1197178281 /nfs/dbraw/zinc/17/82/81/1197178281.db2.gz CDTKJOJPZZYIPO-MOPGFXCFSA-N 0 3 381.565 0.765 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)c(N4CCOCC4)cc3F)C[C@@H]21 ZINC000453921837 1197179027 /nfs/dbraw/zinc/17/90/27/1197179027.db2.gz TWHBPZSPBPCBGC-PXAZEXFGSA-N 0 3 394.422 0.902 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1 ZINC000175408799 1197183682 /nfs/dbraw/zinc/18/36/82/1197183682.db2.gz HAUVVZGRWPQPSF-CYBMUJFWSA-N 0 3 386.518 0.594 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)n1 ZINC000175771199 1197185747 /nfs/dbraw/zinc/18/57/47/1197185747.db2.gz ILCTVYDUWLMLEK-HNNXBMFYSA-N 0 3 395.577 0.952 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC(=O)N[C@@H](C)C3)c2)CC1 ZINC000453924438 1197188530 /nfs/dbraw/zinc/18/85/30/1197188530.db2.gz UBPFCUDOTVGSGD-HNNXBMFYSA-N 0 3 387.484 0.502 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)cc2)CC1 ZINC000177669278 1197191428 /nfs/dbraw/zinc/19/14/28/1197191428.db2.gz WHVOQHZVCPXZJJ-GOSISDBHSA-N 0 3 396.495 0.826 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000178066724 1197192739 /nfs/dbraw/zinc/19/27/39/1197192739.db2.gz OTYGDXSLTIXDFE-NVXWUHKLSA-N 0 3 399.499 0.513 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000652989541 1197194980 /nfs/dbraw/zinc/19/49/80/1197194980.db2.gz LAGKTEHTTHUATE-AWEZNQCLSA-N 0 3 385.534 0.648 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000666102617 1197198670 /nfs/dbraw/zinc/19/86/70/1197198670.db2.gz DEGRPZHOSZZWAN-UHFFFAOYSA-N 0 3 399.517 0.220 20 0 GCADHN O=C(CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000179514849 1197198703 /nfs/dbraw/zinc/19/87/03/1197198703.db2.gz QPWPMLVYGLDPFM-INIZCTEOSA-N 0 3 386.500 0.942 20 0 GCADHN O=C(CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000179514849 1197198705 /nfs/dbraw/zinc/19/87/05/1197198705.db2.gz QPWPMLVYGLDPFM-INIZCTEOSA-N 0 3 386.500 0.942 20 0 GCADHN CC(C)CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001719913642 1197207265 /nfs/dbraw/zinc/20/72/65/1197207265.db2.gz BISYKPAGNHYDGK-ZACQAIPSSA-N 0 3 378.517 0.883 20 0 GCADHN CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2C1)C1CCC1 ZINC000986688866 1197218553 /nfs/dbraw/zinc/21/85/53/1197218553.db2.gz DYVSLJQLCIAUBT-TWMKSMIVSA-N 0 3 390.528 0.679 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C[C@@H]1N(C)C ZINC000760208684 1197225078 /nfs/dbraw/zinc/22/50/78/1197225078.db2.gz RAVGDIPGOFGAEO-OWCLPIDISA-N 0 3 375.498 0.611 20 0 GCADHN CC(=O)NCCNC(=O)CCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000653031366 1197226067 /nfs/dbraw/zinc/22/60/67/1197226067.db2.gz ZNBWHZDEXMSAPS-UHFFFAOYSA-N 0 3 397.479 0.916 20 0 GCADHN C[C@@H](NC[C@H]1CCCNC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000666187083 1197234554 /nfs/dbraw/zinc/23/45/54/1197234554.db2.gz HGGSUCAVLLUCPG-GDBMZVCRSA-N 0 3 381.498 0.884 20 0 GCADHN CCn1cc([C@H]2CN(C(=O)NC[C@H](C)CN3CCN(C)CC3)CCO2)cn1 ZINC000189288327 1197235457 /nfs/dbraw/zinc/23/54/57/1197235457.db2.gz KKUNICXLHUPZIN-FUHWJXTLSA-N 0 3 378.521 0.869 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(S(C)(=O)=O)CC1 ZINC000193330064 1197249719 /nfs/dbraw/zinc/24/97/19/1197249719.db2.gz NZBBAFPYEJGMQR-FUHWJXTLSA-N 0 3 394.541 0.343 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2nncn2-c2ccccc2)CC1 ZINC000103268399 1197269937 /nfs/dbraw/zinc/26/99/37/1197269937.db2.gz DCWRNMPRAFEKME-UHFFFAOYSA-N 0 3 397.483 0.717 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000103325726 1197271366 /nfs/dbraw/zinc/27/13/66/1197271366.db2.gz PWUVKLODJGTQTK-UHFFFAOYSA-N 0 3 398.385 0.809 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCCC1 ZINC000053152896 1197277319 /nfs/dbraw/zinc/27/73/19/1197277319.db2.gz LUKZFUINAZMMCV-ZBFHGGJFSA-N 0 3 385.530 0.355 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C3CCC3)C2)CC1 ZINC000666493822 1197283015 /nfs/dbraw/zinc/28/30/15/1197283015.db2.gz GQQLTMLZQMSRQB-QGZVFWFLSA-N 0 3 378.517 0.648 20 0 GCADHN COCCCOc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000487541088 1197286703 /nfs/dbraw/zinc/28/67/03/1197286703.db2.gz YAFUUUMOAXXYBY-UHFFFAOYSA-N 0 3 390.484 0.877 20 0 GCADHN CCN1CCN(CCNC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)CC1 ZINC000042591673 1197302510 /nfs/dbraw/zinc/30/25/10/1197302510.db2.gz RDUDUTQGTWSOEL-FQEVSTJZSA-N 0 3 390.528 0.960 20 0 GCADHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000104752056 1197305474 /nfs/dbraw/zinc/30/54/74/1197305474.db2.gz BZANMGADIRXXHB-UHFFFAOYSA-N 0 3 398.529 0.856 20 0 GCADHN C[C@@H](O)[C@H]1CCCCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956750 1197308564 /nfs/dbraw/zinc/30/85/64/1197308564.db2.gz BZHUPIXMTUNWQV-GDBMZVCRSA-N 0 3 387.488 0.247 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 ZINC000193577949 1197311321 /nfs/dbraw/zinc/31/13/21/1197311321.db2.gz ITWOPBRKCFGLBE-MGPQQGTHSA-N 0 3 378.439 0.833 20 0 GCADHN CC(C)CN1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000171120777 1197312750 /nfs/dbraw/zinc/31/27/50/1197312750.db2.gz VYWVTWPKYVLANN-UHFFFAOYSA-N 0 3 382.530 0.266 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000171211596 1197315527 /nfs/dbraw/zinc/31/55/27/1197315527.db2.gz XFFQWCGGRSFBGH-UHFFFAOYSA-N 0 3 380.464 0.800 20 0 GCADHN C[C@H](NCCNC(=O)c1cnccn1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000532494154 1197319288 /nfs/dbraw/zinc/31/92/88/1197319288.db2.gz SKVSQQSTRLZIBO-ZDUSSCGKSA-N 0 3 377.470 0.808 20 0 GCADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cn1 ZINC000532530500 1197320882 /nfs/dbraw/zinc/32/08/82/1197320882.db2.gz RXGNJNBQDXYQFX-ZDUSSCGKSA-N 0 3 379.461 0.720 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000532515821 1197322192 /nfs/dbraw/zinc/32/21/92/1197322192.db2.gz RNUPWKFGDQGHGX-FUHWJXTLSA-N 0 3 384.480 0.805 20 0 GCADHN COc1cccc(COCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000532515848 1197322230 /nfs/dbraw/zinc/32/22/30/1197322230.db2.gz WXRKELHNJWUIGM-GOSISDBHSA-N 0 3 375.469 0.977 20 0 GCADHN Cn1ccc2c1cccc2NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000532520177 1197322412 /nfs/dbraw/zinc/32/24/12/1197322412.db2.gz VGJROMPSKMZUPS-GOSISDBHSA-N 0 3 397.479 0.882 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c2ccccc2O1 ZINC000454087651 1197322990 /nfs/dbraw/zinc/32/29/90/1197322990.db2.gz GSBHPNQSRZGRLR-YOEHRIQHSA-N 0 3 388.468 0.468 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000103449367 1197325788 /nfs/dbraw/zinc/32/57/88/1197325788.db2.gz QLPQQBHMJNKAAP-INIZCTEOSA-N 0 3 378.517 0.790 20 0 GCADHN CCn1nc(C)c(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1C ZINC000532553659 1197326992 /nfs/dbraw/zinc/32/69/92/1197326992.db2.gz DJMVHMSQZFSTSS-QGZVFWFLSA-N 0 3 376.505 0.968 20 0 GCADHN CCn1nc(C)c(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1C ZINC000532553658 1197327172 /nfs/dbraw/zinc/32/71/72/1197327172.db2.gz DJMVHMSQZFSTSS-KRWDZBQOSA-N 0 3 376.505 0.968 20 0 GCADHN Cc1nc(COc2ccc(CNCCNS(=O)(=O)NC(C)C)cc2)no1 ZINC000428564356 1197327617 /nfs/dbraw/zinc/32/76/17/1197327617.db2.gz WXQRUBUBNJEQLH-UHFFFAOYSA-N 0 3 383.474 0.879 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@H](N3CCN(CC)CC3)C2)C1 ZINC000107372275 1197327633 /nfs/dbraw/zinc/32/76/33/1197327633.db2.gz QOJFPBPLVAZJDO-ROUUACIJSA-N 0 3 380.533 0.500 20 0 GCADHN CCN1CCN(C(=O)CC2CC[NH+](Cc3cc(=O)n4[n-]ccc4n3)CC2)CC1 ZINC000108873234 1197328668 /nfs/dbraw/zinc/32/86/68/1197328668.db2.gz PIHCNDUMPAUWBA-UHFFFAOYSA-N 0 3 386.500 0.789 20 0 GCADHN Cc1nn(C)c(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1C ZINC000532597698 1197336260 /nfs/dbraw/zinc/33/62/60/1197336260.db2.gz NISIVKFCIIVMST-AWEZNQCLSA-N 0 3 378.477 0.034 20 0 GCADHN NS(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000114694367 1197336592 /nfs/dbraw/zinc/33/65/92/1197336592.db2.gz FOZPRAMWQPIILW-KRWDZBQOSA-N 0 3 380.514 0.683 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000118096552 1197339062 /nfs/dbraw/zinc/33/90/62/1197339062.db2.gz QNOZFHZZUFMNGW-ZDUSSCGKSA-N 0 3 375.408 0.649 20 0 GCADHN COCCN1CC[C@H](NC(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)C1 ZINC000332764386 1197343340 /nfs/dbraw/zinc/34/33/40/1197343340.db2.gz XTDGKVLXEGCXGT-KKUMJFAQSA-N 0 3 380.489 0.570 20 0 GCADHN C[C@H](NC(=O)CN1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O)C(=O)N1CCCCC1 ZINC000332772831 1197343425 /nfs/dbraw/zinc/34/34/25/1197343425.db2.gz FRZDQKOVOYGDED-TVKQPGBESA-N 0 3 381.517 0.756 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000729618521 1197353771 /nfs/dbraw/zinc/35/37/71/1197353771.db2.gz CKRRGWVEVPYZPM-IRXDYDNUSA-N 0 3 379.505 0.783 20 0 GCADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729619706 1197354795 /nfs/dbraw/zinc/35/47/95/1197354795.db2.gz SGZXQZRVBYWSGZ-FVQBIDKESA-N 0 3 396.513 0.900 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000171224988 1197355633 /nfs/dbraw/zinc/35/56/33/1197355633.db2.gz LAIPSNYVDUHDON-UHFFFAOYSA-N 0 3 386.456 0.819 20 0 GCADHN CC(C)n1cc([C@@]2(O)CCN(C(=O)NCCN3CCN(C)C(C)(C)C3)C2)nn1 ZINC000375672994 1197357194 /nfs/dbraw/zinc/35/71/94/1197357194.db2.gz DOLUNGQDJAXGFJ-LJQANCHMSA-N 0 3 393.536 0.488 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000128168594 1197363233 /nfs/dbraw/zinc/36/32/33/1197363233.db2.gz ZPWPOCHZWBMYEY-QGZVFWFLSA-N 0 3 386.500 0.610 20 0 GCADHN Cn1cc([C@H]2[C@H](CNC(=O)N3CC[C@H]4CCN(C)C[C@@H]43)OCCN2C)cn1 ZINC000666674763 1197364433 /nfs/dbraw/zinc/36/44/33/1197364433.db2.gz GCDVHUSBCKJFBU-UBDQQSCGSA-N 0 3 376.505 0.527 20 0 GCADHN Cn1cc([C@H]2[C@H](CNC(=O)N3CC[C@H]4CCN(C)C[C@H]43)OCCN2C)cn1 ZINC000666674760 1197364521 /nfs/dbraw/zinc/36/45/21/1197364521.db2.gz GCDVHUSBCKJFBU-BGTYHANMSA-N 0 3 376.505 0.527 20 0 GCADHN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)C(=O)NC[C@@]3(N(C)C)CCSC3)O2)CO1 ZINC000897475526 1197368101 /nfs/dbraw/zinc/36/81/01/1197368101.db2.gz VRGQVOUQAQDYAW-IDCJVQTKSA-N 0 3 385.530 0.383 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC(=O)N1C)C2 ZINC001719926086 1197372245 /nfs/dbraw/zinc/37/22/45/1197372245.db2.gz OOIJMRQRDANZJM-WCVJEAGWSA-N 0 3 378.517 0.976 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(=O)N1CCCC[C@@H]1C ZINC000521472860 1197380180 /nfs/dbraw/zinc/38/01/80/1197380180.db2.gz KUAWZOZRRBMQEM-DEYYWGMASA-N 0 3 384.546 0.446 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000133372669 1197382757 /nfs/dbraw/zinc/38/27/57/1197382757.db2.gz ROLXEMYBXHVQTQ-XHSDSOJGSA-N 0 3 375.473 0.943 20 0 GCADHN O=C(CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)N1CCNC1=O ZINC000133471747 1197382910 /nfs/dbraw/zinc/38/29/10/1197382910.db2.gz PQEZHTIUIPBHET-KRWDZBQOSA-N 0 3 386.500 0.467 20 0 GCADHN O=C(CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)N1CCNC1=O ZINC000133471939 1197383214 /nfs/dbraw/zinc/38/32/14/1197383214.db2.gz PQEZHTIUIPBHET-QGZVFWFLSA-N 0 3 386.500 0.467 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCN([C@@H](C)CO)CC2)cc1 ZINC000470079531 1197385988 /nfs/dbraw/zinc/38/59/88/1197385988.db2.gz QECGNVAXUPSKRQ-INIZCTEOSA-N 0 3 383.514 0.579 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(C)C)cc1 ZINC000614856761 1197389874 /nfs/dbraw/zinc/38/98/74/1197389874.db2.gz BDSZNLMZNZYHPD-WBVHZDCISA-N 0 3 385.530 0.727 20 0 GCADHN COc1cccc(-n2c(C)nnc2SCC(=O)N[C@H](CO)CN(C)C)c1 ZINC000614857483 1197390814 /nfs/dbraw/zinc/39/08/14/1197390814.db2.gz BPKIEUXMTIJSJI-ZDUSSCGKSA-N 0 3 379.486 0.715 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000137700413 1197392555 /nfs/dbraw/zinc/39/25/55/1197392555.db2.gz LNZIENLDXATBTO-QGZVFWFLSA-N 0 3 380.514 0.768 20 0 GCADHN O=c1[nH]c2ccccc2n1CCCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000532711600 1197395727 /nfs/dbraw/zinc/39/57/27/1197395727.db2.gz QCLXLXZFVDAINZ-DOTOQJQBSA-N 0 3 394.497 0.219 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000532713780 1197397048 /nfs/dbraw/zinc/39/70/48/1197397048.db2.gz IFJFEULTKWOUPG-CQSZACIVSA-N 0 3 375.473 0.766 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)N1CCN(C)CC1 ZINC000193915717 1197397734 /nfs/dbraw/zinc/39/77/34/1197397734.db2.gz MBDOYKTZBUTEJH-LJQANCHMSA-N 0 3 387.528 0.959 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3OC)c2)CC1 ZINC000666735730 1197398945 /nfs/dbraw/zinc/39/89/45/1197398945.db2.gz DZUGBAXGXWVOPA-SJORKVTESA-N 0 3 396.513 0.762 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CC(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000475933057 1197401918 /nfs/dbraw/zinc/40/19/18/1197401918.db2.gz LERIYBKBQCGUEC-UHFFFAOYSA-N 0 3 396.557 0.575 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000897495180 1197402365 /nfs/dbraw/zinc/40/23/65/1197402365.db2.gz XGDPLGXLAALRHW-SQNIBIBYSA-N 0 3 380.533 0.404 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@]3(CO)CCC[C@@H]23)CC1 ZINC000897493905 1197402738 /nfs/dbraw/zinc/40/27/38/1197402738.db2.gz IRPLWUORFVQKIV-MBOZVWFJSA-N 0 3 380.533 0.140 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC[C@@H]2CC(C)(C)CO2)CC1 ZINC000897494610 1197402875 /nfs/dbraw/zinc/40/28/75/1197402875.db2.gz QFIQKJLFXHUQGY-DLBZAZTESA-N 0 3 382.549 0.698 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCc2cc(F)c(F)cc2C1)CN1CCN(C)CC1 ZINC000897494908 1197403059 /nfs/dbraw/zinc/40/30/59/1197403059.db2.gz UAEMHVCPDBMMDQ-AWEZNQCLSA-N 0 3 394.466 0.849 20 0 GCADHN CCOC(=O)CSc1nnc([N-]C(=O)c2cn(C3CC[NH2+]CC3)nn2)s1 ZINC000429740678 1197404596 /nfs/dbraw/zinc/40/45/96/1197404596.db2.gz UDNOPNGBFCJEFW-UHFFFAOYSA-N 0 3 397.486 0.962 20 0 GCADHN O=C(C[C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000429733260 1197405038 /nfs/dbraw/zinc/40/50/38/1197405038.db2.gz BXVKVGPFWNUIRC-GFCCVEGCSA-N 0 3 389.424 0.176 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN2CCN(c3ccnc(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000532731931 1197406417 /nfs/dbraw/zinc/40/64/17/1197406417.db2.gz GCTSCIDTHISPRI-IXDOHACOSA-N 0 3 378.521 0.135 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN2CCN(c3ccnc(N(C)C)n3)CC2)C[C@H](C)O1 ZINC000532731929 1197406562 /nfs/dbraw/zinc/40/65/62/1197406562.db2.gz GCTSCIDTHISPRI-BBWFWOEESA-N 0 3 378.521 0.135 20 0 GCADHN CN(C)S(=O)(=O)c1c[n-]c(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1 ZINC000532783099 1197410582 /nfs/dbraw/zinc/41/05/82/1197410582.db2.gz BNFKVJJAOVCJIY-AWEZNQCLSA-N 0 3 384.502 0.592 20 0 GCADHN COC[C@H](CNC(=O)[C@@H]1CCN1C(C)(C)C)NC(=O)[C@H]1CCN1C(C)(C)C ZINC000897499533 1197413512 /nfs/dbraw/zinc/41/35/12/1197413512.db2.gz IULKDRSJKDDPHJ-HRCADAONSA-N 0 3 382.549 0.979 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(C)o1 ZINC000532855568 1197416045 /nfs/dbraw/zinc/41/60/45/1197416045.db2.gz USWRYDIGWLEXJF-UHFFFAOYSA-N 0 3 399.469 0.303 20 0 GCADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000245711689 1197422622 /nfs/dbraw/zinc/42/26/22/1197422622.db2.gz FKLNATPYYPAPNV-AOIWGVFYSA-N 0 3 388.512 0.291 20 0 GCADHN C[C@H](O)C(=O)N1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000245711693 1197423216 /nfs/dbraw/zinc/42/32/16/1197423216.db2.gz FKLNATPYYPAPNV-JENIJYKNSA-N 0 3 388.512 0.291 20 0 GCADHN C[C@H](O)C(=O)N1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000245711696 1197423421 /nfs/dbraw/zinc/42/34/21/1197423421.db2.gz FKLNATPYYPAPNV-LNLFQRSKSA-N 0 3 388.512 0.291 20 0 GCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NC[C@H]1CCCN1C ZINC000454634454 1197424841 /nfs/dbraw/zinc/42/48/41/1197424841.db2.gz SMQVUUFNIQCLHP-GFCCVEGCSA-N 0 3 388.465 0.588 20 0 GCADHN CC(C)n1cc([C@]2(O)CCCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)C2)nn1 ZINC000375723228 1197426239 /nfs/dbraw/zinc/42/62/39/1197426239.db2.gz OPIDRPHWXFIRLA-BEFAXECRSA-N 0 3 392.504 0.079 20 0 GCADHN NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000532992856 1197426524 /nfs/dbraw/zinc/42/65/24/1197426524.db2.gz KNZRPLSYYLXRAY-CXAGYDPISA-N 0 3 399.538 0.971 20 0 GCADHN CC(C)(O)CN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)C1CCOCC1 ZINC000533023450 1197426849 /nfs/dbraw/zinc/42/68/49/1197426849.db2.gz XNOMBVWQNWXVHN-UHFFFAOYSA-N 0 3 392.435 0.992 20 0 GCADHN C[C@@H]1[C@H](NC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)CCCN1C ZINC000454782495 1197431696 /nfs/dbraw/zinc/43/16/96/1197431696.db2.gz KMUIHKLNUJECDY-RHSMWYFYSA-N 0 3 397.545 0.894 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000533091256 1197432273 /nfs/dbraw/zinc/43/22/73/1197432273.db2.gz COZFQPHWELBXDJ-UHFFFAOYSA-N 0 3 381.498 0.486 20 0 GCADHN COC[C@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)[C@H]1CCCOC1 ZINC000897512809 1197445532 /nfs/dbraw/zinc/44/55/32/1197445532.db2.gz BBORXPHRSXDVHO-OTWHNJEPSA-N 0 3 391.512 0.833 20 0 GCADHN CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000897512890 1197445534 /nfs/dbraw/zinc/44/55/34/1197445534.db2.gz CJWOEQFVTQXVKJ-RCCFBDPRSA-N 0 3 377.485 0.538 20 0 GCADHN CC(C)(O)CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCOCC1 ZINC000533345005 1197445599 /nfs/dbraw/zinc/44/55/99/1197445599.db2.gz MILSUOXKHRTMSB-UHFFFAOYSA-N 0 3 385.486 0.524 20 0 GCADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000897514285 1197447618 /nfs/dbraw/zinc/44/76/18/1197447618.db2.gz YJXQVJNMUSEQMJ-ZWKOTPCHSA-N 0 3 386.496 0.403 20 0 GCADHN CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000533650372 1197464944 /nfs/dbraw/zinc/46/49/44/1197464944.db2.gz YSKJEWHWGKRIIV-UONOGXRCSA-N 0 3 392.504 0.879 20 0 GCADHN CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000533650372 1197464945 /nfs/dbraw/zinc/46/49/45/1197464945.db2.gz YSKJEWHWGKRIIV-UONOGXRCSA-N 0 3 392.504 0.879 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(-n3cccn3)cc2)no1)C(N)=O ZINC001211998165 1197465342 /nfs/dbraw/zinc/46/53/42/1197465342.db2.gz FXISSZYDSHOYPL-SMDDNHRTSA-N 0 3 383.412 0.172 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(-n3ccnc3)cc2)no1)C(N)=O ZINC001211998547 1197465875 /nfs/dbraw/zinc/46/58/75/1197465875.db2.gz UQXWXARTDARKIV-SMDDNHRTSA-N 0 3 383.412 0.172 20 0 GCADHN CN(CCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000069294458 1197468695 /nfs/dbraw/zinc/46/86/95/1197468695.db2.gz YEEXRQJWELWTBB-IBGZPJMESA-N 0 3 388.512 0.415 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)ccc1F ZINC000069925342 1197468891 /nfs/dbraw/zinc/46/88/91/1197468891.db2.gz FDUIBHJUFRDCKT-LBPRGKRZSA-N 0 3 389.435 0.896 20 0 GCADHN CC(C)(CNC(=O)CN1CCC[C@H](CN2CCOCC2)C1)N1CCOCC1 ZINC000069803447 1197469161 /nfs/dbraw/zinc/46/91/61/1197469161.db2.gz QKVDQCHECRTYPD-GOSISDBHSA-N 0 3 382.549 0.258 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)N1CCC[C@@H](C)C1 ZINC000246783166 1197473818 /nfs/dbraw/zinc/47/38/18/1197473818.db2.gz PAQWEVKRTCRAKG-CHWSQXEVSA-N 0 3 389.435 0.977 20 0 GCADHN CCOc1ccc(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)c(F)c1F ZINC001212020462 1197474356 /nfs/dbraw/zinc/47/43/56/1197474356.db2.gz JEGIYQQELACEPA-CBAPKCEASA-N 0 3 383.355 0.793 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CCN1Cc1ccccc1 ZINC000614903046 1197486274 /nfs/dbraw/zinc/48/62/74/1197486274.db2.gz OSXSLISJOQZIQW-PVAVHDDUSA-N 0 3 380.514 0.681 20 0 GCADHN CN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC001482751610 1197487364 /nfs/dbraw/zinc/48/73/64/1197487364.db2.gz QEOFEJPXPNWULB-LKCYJCQHSA-N 0 3 381.517 0.659 20 0 GCADHN CC(C)(C)NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001482753381 1197487387 /nfs/dbraw/zinc/48/73/87/1197487387.db2.gz TZUJVGVZKHNXEW-LJISPDSOSA-N 0 3 382.505 0.504 20 0 GCADHN CN(Cc1cccs1)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001482771067 1197489021 /nfs/dbraw/zinc/48/90/21/1197489021.db2.gz ZLXIHYVYMPYINS-XOUADPBQSA-N 0 3 381.498 0.341 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N(C)CCc2ccc3c(c2)OCO3)CC1 ZINC000897529531 1197492142 /nfs/dbraw/zinc/49/21/42/1197492142.db2.gz NZKTVBHMGJPVNP-UHFFFAOYSA-N 0 3 391.468 0.643 20 0 GCADHN Cc1cc(NC(=O)CNCC[C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n(C)n1 ZINC001482855292 1197494747 /nfs/dbraw/zinc/49/47/47/1197494747.db2.gz CGQFOCCPGYAWTD-BVWOBERRSA-N 0 3 375.473 0.575 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000533718641 1197495178 /nfs/dbraw/zinc/49/51/78/1197495178.db2.gz KBEDNASUPARNEZ-HZPDHXFCSA-N 0 3 376.505 0.862 20 0 GCADHN CC(=O)c1cc(-c2noc([C@@H]3CCCN3C(=O)[C@@H](N)CCC(N)=O)n2)ccn1 ZINC001212076817 1197502648 /nfs/dbraw/zinc/50/26/48/1197502648.db2.gz VCBNCCUAMHFTSD-JSGCOSHPSA-N 0 3 386.412 0.591 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000261726397 1197512701 /nfs/dbraw/zinc/51/27/01/1197512701.db2.gz IXGJSGRYTKHSLH-OAHLLOKOSA-N 0 3 387.440 0.290 20 0 GCADHN COc1ccc(CCNC(=O)CN2CCNC[C@@H]2c2nccn2C)cc1OC ZINC000261739475 1197512993 /nfs/dbraw/zinc/51/29/93/1197512993.db2.gz KMLIMFHGDNGTPD-MRXNPFEDSA-N 0 3 387.484 0.743 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000261799467 1197515004 /nfs/dbraw/zinc/51/50/04/1197515004.db2.gz RHYOKMHCOMUFOU-HNNXBMFYSA-N 0 3 382.424 0.231 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000261815340 1197516005 /nfs/dbraw/zinc/51/60/05/1197516005.db2.gz TVGIQAGHNUIPMF-GOSISDBHSA-N 0 3 386.475 0.854 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000261815344 1197516013 /nfs/dbraw/zinc/51/60/13/1197516013.db2.gz TVGIQAGHNUIPMF-SFHVURJKSA-N 0 3 386.475 0.854 20 0 GCADHN COc1ccc(C(=O)N2CCN(CCC(=O)N3CCNCC3)CC2)cc1OC ZINC000261981824 1197521490 /nfs/dbraw/zinc/52/14/90/1197521490.db2.gz CCWZMSUNPXYUSF-UHFFFAOYSA-N 0 3 390.484 0.284 20 0 GCADHN O=C(CCN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)N1CCNCC1 ZINC000262003473 1197522290 /nfs/dbraw/zinc/52/22/90/1197522290.db2.gz DURKYLCHPBHHST-UHFFFAOYSA-N 0 3 378.904 0.849 20 0 GCADHN O=C(CCN1CCN(C(=O)Cc2cccc(Cl)c2)CC1)N1CCNCC1 ZINC000262021019 1197522524 /nfs/dbraw/zinc/52/25/24/1197522524.db2.gz GCONFNQYAFQUFQ-UHFFFAOYSA-N 0 3 378.904 0.849 20 0 GCADHN CC1CCC(NC(=O)CN2CCN(CCC(=O)N3CCNCC3)CC2)CC1 ZINC000262246325 1197527601 /nfs/dbraw/zinc/52/76/01/1197527601.db2.gz WOFQYWQOHNAWQL-UHFFFAOYSA-N 0 3 379.549 0.121 20 0 GCADHN Cc1ccc(C(=O)NC2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)s1 ZINC000262247812 1197527951 /nfs/dbraw/zinc/52/79/51/1197527951.db2.gz WSFGMGBYWXUFAO-INIZCTEOSA-N 0 3 380.514 0.877 20 0 GCADHN CC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)c1ccccc1OCC(=O)N(C)C ZINC000262202194 1197528487 /nfs/dbraw/zinc/52/84/87/1197528487.db2.gz SIDMWZGYLUUMOX-BEFAXECRSA-N 0 3 392.500 0.820 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000262464885 1197532692 /nfs/dbraw/zinc/53/26/92/1197532692.db2.gz XRNKWXMILJKWBA-WBMJQRKESA-N 0 3 377.470 0.090 20 0 GCADHN O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1 ZINC000262766314 1197536819 /nfs/dbraw/zinc/53/68/19/1197536819.db2.gz HIXYXTJBFSFRJQ-UHFFFAOYSA-N 0 3 384.440 0.578 20 0 GCADHN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000508697256 1197551853 /nfs/dbraw/zinc/55/18/53/1197551853.db2.gz LYDHYBQHKJCIRU-UWJYYQICSA-N 0 3 386.496 0.934 20 0 GCADHN CCC(CC)[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)N1CCOCC1 ZINC000428615236 1197554749 /nfs/dbraw/zinc/55/47/49/1197554749.db2.gz XZJGNKDSLMFLFA-MOPGFXCFSA-N 0 3 394.560 0.794 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000508720459 1197558305 /nfs/dbraw/zinc/55/83/05/1197558305.db2.gz RYQGUEPAEPTRPQ-HNNXBMFYSA-N 0 3 379.505 0.193 20 0 GCADHN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)C(=O)NCCN1CCCCC1 ZINC000508720219 1197558442 /nfs/dbraw/zinc/55/84/42/1197558442.db2.gz QIOPFTCVBJCPFQ-BFYDXBDKSA-N 0 3 377.489 0.605 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NCCN1C(=O)NC2(CCCC2)C1=O ZINC000455658816 1197560914 /nfs/dbraw/zinc/56/09/14/1197560914.db2.gz OWKSBAGOWPNWTL-UHFFFAOYSA-N 0 3 377.449 0.431 20 0 GCADHN C[C@@H](NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)[C@@H]1CCOC1 ZINC000162800294 1197573129 /nfs/dbraw/zinc/57/31/29/1197573129.db2.gz OCFBQVKRWHXTNR-UKRRQHHQSA-N 0 3 386.452 0.375 20 0 GCADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)NCC(=O)Nc1cc(C)ccc1OC ZINC000429768449 1197576218 /nfs/dbraw/zinc/57/62/18/1197576218.db2.gz GZTNRTSEHCFDJI-KBPBESRZSA-N 0 3 376.457 0.563 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCN1CCN1C(=O)NC(C)(C)C1=O ZINC001088636047 1197581113 /nfs/dbraw/zinc/58/11/13/1197581113.db2.gz DVFFQIFHNCPNDV-SYQHCUMBSA-N 0 3 388.472 0.423 20 0 GCADHN CC(C)N1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC000999562387 1198948969 /nfs/dbraw/zinc/94/89/69/1198948969.db2.gz UNGBNTQYLSXBIW-OWSLCNJRSA-N 0 3 378.517 0.440 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc4ncccn4n2)C3)C1 ZINC000999634389 1198959439 /nfs/dbraw/zinc/95/94/39/1198959439.db2.gz OVDMOEWOQXMSSE-IVSAIRAKSA-N 0 3 382.468 0.933 20 0 GCADHN CCn1nnc(C)c1CN[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000999790922 1198972694 /nfs/dbraw/zinc/97/26/94/1198972694.db2.gz LTNHEEDZVKGPLK-NBOOPKSLSA-N 0 3 377.489 0.739 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)NC2CCN(C(=O)COC)CC2)CC1 ZINC000465655336 1199010826 /nfs/dbraw/zinc/01/08/26/1199010826.db2.gz DZIYPQISCYEOHC-MRXNPFEDSA-N 0 3 383.537 0.197 20 0 GCADHN C[C@H](CNC(=O)NCc1cccc(S(N)(=O)=O)c1)CN1CCN(C)CC1 ZINC000465655892 1199011182 /nfs/dbraw/zinc/01/11/82/1199011182.db2.gz JGXAKYBRXDDVKY-CQSZACIVSA-N 0 3 383.518 0.017 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC3(CCN(CC(F)(F)F)C3=O)CC2)CC1 ZINC001272835199 1199019059 /nfs/dbraw/zinc/01/90/59/1199019059.db2.gz DHXKWEFLTZAIBH-UHFFFAOYSA-N 0 3 377.407 0.847 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)[C@]3(C)CC3(Cl)Cl)C2)OCC1=O ZINC001272879746 1199052856 /nfs/dbraw/zinc/05/28/56/1199052856.db2.gz UCVVWGHLPNCERE-LSDHHAIUSA-N 0 3 378.300 0.962 20 0 GCADHN C[C@@H](CNC(=O)NCc1cccc(CS(C)(=O)=O)c1)CN1CCN(C)CC1 ZINC000465790121 1199066722 /nfs/dbraw/zinc/06/67/22/1199066722.db2.gz RWPQCCQYXHJODG-INIZCTEOSA-N 0 3 396.557 0.914 20 0 GCADHN COCCOC[C@H]1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000465834651 1199079730 /nfs/dbraw/zinc/07/97/30/1199079730.db2.gz LIZCKIUXOWEEDZ-IRXDYDNUSA-N 0 3 384.521 0.624 20 0 GCADHN COCCOC[C@@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000465834648 1199079805 /nfs/dbraw/zinc/07/98/05/1199079805.db2.gz LIZCKIUXOWEEDZ-IAGOWNOFSA-N 0 3 384.521 0.624 20 0 GCADHN COC(=O)CC(C)(C)C(=O)N1C[C@@]2(F)C(=O)N(CCN(C)C)C[C@@]2(F)C1 ZINC001272917796 1199082378 /nfs/dbraw/zinc/08/23/78/1199082378.db2.gz DRQFTYZLKKCFOB-IAGOWNOFSA-N 0 3 375.416 0.238 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000656080077 1199094310 /nfs/dbraw/zinc/09/43/10/1199094310.db2.gz XEQXMADDCAKYIJ-QGZVFWFLSA-N 0 3 380.533 0.500 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000465853547 1199101682 /nfs/dbraw/zinc/10/16/82/1199101682.db2.gz ZPXMRPLHBHBKFK-KXBFYZLASA-N 0 3 379.505 0.241 20 0 GCADHN COC[C@@H]1CCCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000672111299 1199109432 /nfs/dbraw/zinc/10/94/32/1199109432.db2.gz FEBGGYCIACVAFF-SJORKVTESA-N 0 3 396.532 0.320 20 0 GCADHN O=C(CN1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1)N1CCCC1 ZINC000624787540 1199109988 /nfs/dbraw/zinc/10/99/88/1199109988.db2.gz ZKZXLNVJTSNZRR-SFHVURJKSA-N 0 3 377.533 0.953 20 0 GCADHN Cc1noc(C)c1[C@H](C)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672111393 1199112290 /nfs/dbraw/zinc/11/22/90/1199112290.db2.gz DKBPHDNPGYUJPG-SWLSCSKDSA-N 0 3 393.488 0.528 20 0 GCADHN CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000110018749 1199116664 /nfs/dbraw/zinc/11/66/64/1199116664.db2.gz JHWNXDFJTGLRET-UHFFFAOYSA-N 0 3 382.530 0.694 20 0 GCADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)N(CCOC)CCN(C)C)c1 ZINC000265750187 1199117115 /nfs/dbraw/zinc/11/71/15/1199117115.db2.gz FZQMUNBGEOXILI-UHFFFAOYSA-N 0 3 379.457 0.767 20 0 GCADHN CC[C@@H](CNC(=O)CCC(=O)NCCNC(C)=O)N1CCc2ccccc2C1 ZINC000110051312 1199117741 /nfs/dbraw/zinc/11/77/41/1199117741.db2.gz MZSVSYMYMRHQQO-IBGZPJMESA-N 0 3 388.512 0.972 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000265750331 1199118289 /nfs/dbraw/zinc/11/82/89/1199118289.db2.gz PBQQCVSXEZAVJU-KRWDZBQOSA-N 0 3 389.500 0.355 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](O)C(C)C)cc2)CC1 ZINC000172656318 1199123989 /nfs/dbraw/zinc/12/39/89/1199123989.db2.gz BDBKVTKQVCXDQX-GOSISDBHSA-N 0 3 376.501 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)N(C)Cc1ccccc1 ZINC000110350592 1199127338 /nfs/dbraw/zinc/12/73/38/1199127338.db2.gz CRKVAPKUEOJJAX-AWEZNQCLSA-N 0 3 395.463 0.883 20 0 GCADHN Cc1cccc(OCCN[C@H](CO)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1 ZINC001486020187 1199147751 /nfs/dbraw/zinc/14/77/51/1199147751.db2.gz SWDJRKCMOHPACK-PBWTXFEYSA-N 0 3 378.469 0.492 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1=O ZINC000499482801 1199153987 /nfs/dbraw/zinc/15/39/87/1199153987.db2.gz FCZJIJUIPGIPMD-XYJFISCASA-N 0 3 388.468 0.895 20 0 GCADHN CN(C[C@H](O)CNCC(=O)N1CCCCCCC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001486300521 1199159050 /nfs/dbraw/zinc/15/90/50/1199159050.db2.gz DICQBHNDOMPLTO-TVFCKZIOSA-N 0 3 381.517 0.756 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)n1 ZINC000672226098 1199163132 /nfs/dbraw/zinc/16/31/32/1199163132.db2.gz ZCRFTUWMWRZDIS-WCQYABFASA-N 0 3 389.464 0.436 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc3c2OCC3)CC1 ZINC000627310558 1199165242 /nfs/dbraw/zinc/16/52/42/1199165242.db2.gz VTEQCVUVZGKNOR-UHFFFAOYSA-N 0 3 386.452 0.327 20 0 GCADHN NC(=O)C1(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CCOCC1 ZINC000111564494 1199170279 /nfs/dbraw/zinc/17/02/79/1199170279.db2.gz WMFNRQVKRDCWPQ-UHFFFAOYSA-N 0 3 388.512 0.987 20 0 GCADHN Cc1c(C(=O)N2CC3(C2)CCNC(=O)O3)nnn1-c1cccc2c1CCN(C)C2 ZINC000888407479 1199174935 /nfs/dbraw/zinc/17/49/35/1199174935.db2.gz HOEOXWRXRGILBL-UHFFFAOYSA-N 0 3 396.451 0.888 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)ccc1C ZINC000265779929 1199178722 /nfs/dbraw/zinc/17/87/22/1199178722.db2.gz GOODASGQEZCPMO-ZDUSSCGKSA-N 0 3 382.486 0.252 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375.517 0.586 20 0 GCADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCc2nn(C)c(=O)cc2C1 ZINC000172794753 1199218867 /nfs/dbraw/zinc/21/88/67/1199218867.db2.gz AOBBEGZEHYLYLC-LPHOPBHVSA-N 0 3 395.507 0.918 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCCc2nc3ccc(F)cc3n2C)CC1=O ZINC000172800416 1199227880 /nfs/dbraw/zinc/22/78/80/1199227880.db2.gz UQRXIPJBVATJGY-ZDUSSCGKSA-N 0 3 375.448 0.781 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000672442470 1199234557 /nfs/dbraw/zinc/23/45/57/1199234557.db2.gz XNBWOFPROHZNQJ-IRXDYDNUSA-N 0 3 397.516 0.398 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCn3cnnc3[C@H]2C)CC1 ZINC000672442198 1199234845 /nfs/dbraw/zinc/23/48/45/1199234845.db2.gz DWLGOBYBXUPOIT-CYBMUJFWSA-N 0 3 378.477 0.187 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C1=CCN(C)CC1 ZINC000672459807 1199237165 /nfs/dbraw/zinc/23/71/65/1199237165.db2.gz FDKJZDZDSFERAW-ZBFHGGJFSA-N 0 3 399.495 0.247 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)c1cn(C)cn1)C(=O)c1cn(C)cn1 ZINC000672466516 1199241056 /nfs/dbraw/zinc/24/10/56/1199241056.db2.gz JJKWMFNTRYNABA-UHFFFAOYSA-N 0 3 387.488 0.464 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)c1ccncn1)C(=O)c1ccncn1 ZINC000672466583 1199241562 /nfs/dbraw/zinc/24/15/62/1199241562.db2.gz QRVYASCTKISZBI-UHFFFAOYSA-N 0 3 383.456 0.577 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc4cccnn42)C3)C1 ZINC001002748981 1199256102 /nfs/dbraw/zinc/25/61/02/1199256102.db2.gz OWLAMEOGEYCDAA-FPCVCCKLSA-N 0 3 382.468 0.933 20 0 GCADHN Cc1cc(CNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)[nH]n1 ZINC000672538344 1199264228 /nfs/dbraw/zinc/26/42/28/1199264228.db2.gz KANGJPQIXBFPGI-UHFFFAOYSA-N 0 3 385.468 0.607 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1nn(C)c2ccccc12 ZINC000672548412 1199267040 /nfs/dbraw/zinc/26/70/40/1199267040.db2.gz HAYRRGSLENRSOW-HNNXBMFYSA-N 0 3 387.484 0.759 20 0 GCADHN C[C@]1(CNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CCOC1 ZINC000672592247 1199276019 /nfs/dbraw/zinc/27/60/19/1199276019.db2.gz CXGRQYVCPQUGNB-OAQYLSRUSA-N 0 3 389.496 0.802 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000672625789 1199283485 /nfs/dbraw/zinc/28/34/85/1199283485.db2.gz XFKPZBNBGKOACX-NWDGAFQWSA-N 0 3 378.395 0.256 20 0 GCADHN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000672625837 1199283695 /nfs/dbraw/zinc/28/36/95/1199283695.db2.gz FKLBZUOGCGEDHV-OLZOCXBDSA-N 0 3 390.406 0.353 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC(C(=O)NCCOC)CC1 ZINC000672655073 1199309727 /nfs/dbraw/zinc/30/97/27/1199309727.db2.gz XRJLEDGPCHVSHX-QGZVFWFLSA-N 0 3 396.532 0.368 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCOC[C@H]1OCCOC ZINC000672655040 1199310232 /nfs/dbraw/zinc/31/02/32/1199310232.db2.gz PTCJLYSOLIVGCV-IXDOHACOSA-N 0 3 385.505 0.304 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000672693722 1199315017 /nfs/dbraw/zinc/31/50/17/1199315017.db2.gz ZKMXPGYLYUOTNN-CABCVRRESA-N 0 3 377.464 0.906 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(Cc2cc(C)on2)CC1 ZINC000672696114 1199316109 /nfs/dbraw/zinc/31/61/09/1199316109.db2.gz NNBQWKBFYOZCPX-MRXNPFEDSA-N 0 3 377.489 0.618 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000672697210 1199318418 /nfs/dbraw/zinc/31/84/18/1199318418.db2.gz PYPKFFIPTXQCSA-KRWDZBQOSA-N 0 3 391.516 0.926 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000672698582 1199318991 /nfs/dbraw/zinc/31/89/91/1199318991.db2.gz GSTUGECHVJLTQD-OAHLLOKOSA-N 0 3 378.452 0.255 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc2c1OCO2 ZINC000542996310 1199329816 /nfs/dbraw/zinc/32/98/16/1199329816.db2.gz BHWNMMMJTIGXPD-CQSZACIVSA-N 0 3 390.440 0.413 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)NCCN2CCC(OC)CC2)ccc1F ZINC000672770664 1199331572 /nfs/dbraw/zinc/33/15/72/1199331572.db2.gz BREVPJAJVHDJPF-UHFFFAOYSA-N 0 3 388.465 0.966 20 0 GCADHN Cc1nn2cccnc2c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001002888986 1199332899 /nfs/dbraw/zinc/33/28/99/1199332899.db2.gz VWEYFWKSVPVVBD-OAGGEKHMSA-N 0 3 382.468 0.995 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1COC(=O)N1)N1CCCCC1 ZINC001002909688 1199340664 /nfs/dbraw/zinc/34/06/64/1199340664.db2.gz JGLXUSCZAZHYFJ-KBXIAJHMSA-N 0 3 378.473 0.607 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC(=O)N1)N1CCCCC1 ZINC001002909032 1199340768 /nfs/dbraw/zinc/34/07/68/1199340768.db2.gz DKWMONFBBSNQBT-FPCVCCKLSA-N 0 3 376.501 0.778 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[C@H]1C(N)=O)N1CCCCC1 ZINC001002923078 1199342925 /nfs/dbraw/zinc/34/29/25/1199342925.db2.gz YJSDQINPJVHAGU-LJIZCISZSA-N 0 3 376.501 0.620 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCOc2cc(OC)ccc21 ZINC000672857500 1199349523 /nfs/dbraw/zinc/34/95/23/1199349523.db2.gz ANHYPCJCBNTINS-MRXNPFEDSA-N 0 3 379.457 0.720 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC000672854558 1199352728 /nfs/dbraw/zinc/35/27/28/1199352728.db2.gz WEEZZSGIAHWFFH-OLZOCXBDSA-N 0 3 394.438 0.307 20 0 GCADHN CN(C)Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2nccn2)C3)c1 ZINC001003015207 1199387619 /nfs/dbraw/zinc/38/76/19/1199387619.db2.gz XYDLUUSQVPFNLE-KURKYZTESA-N 0 3 382.468 0.902 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c2ccccc2O1 ZINC000066223171 1199391370 /nfs/dbraw/zinc/39/13/70/1199391370.db2.gz VNULXTGROXVYQF-RHSMWYFYSA-N 0 3 386.452 0.223 20 0 GCADHN COc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1OCCCN1CCN(C)CC1 ZINC001143130439 1199458326 /nfs/dbraw/zinc/45/83/26/1199458326.db2.gz UQKACZFBZPXWLO-INIZCTEOSA-N 0 3 390.484 0.929 20 0 GCADHN CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001272982285 1199458377 /nfs/dbraw/zinc/45/83/77/1199458377.db2.gz PUIJKHMTTVZVAC-MWDXBVQZSA-N 0 3 387.546 0.806 20 0 GCADHN CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001272982293 1199458548 /nfs/dbraw/zinc/45/85/48/1199458548.db2.gz PUIJKHMTTVZVAC-NXOAAHMSSA-N 0 3 387.546 0.806 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CN(C)CCO1 ZINC000673174330 1199463706 /nfs/dbraw/zinc/46/37/06/1199463706.db2.gz FHRXMQNPAUFOBB-KCITZHQASA-N 0 3 388.512 0.458 20 0 GCADHN O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001272982721 1199465886 /nfs/dbraw/zinc/46/58/86/1199465886.db2.gz YQJOFPCUODGTRB-FUHWJXTLSA-N 0 3 380.514 0.911 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2cnccc2C)CC1 ZINC000673195223 1199471753 /nfs/dbraw/zinc/47/17/53/1199471753.db2.gz VXLVUKBQNBEDGM-MRXNPFEDSA-N 0 3 389.500 0.580 20 0 GCADHN CN(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3ccnn31)C2)C1CC1 ZINC001003284273 1199482668 /nfs/dbraw/zinc/48/26/68/1199482668.db2.gz SCYBBUGRNQAJKM-ZXFNITATSA-N 0 3 382.468 0.931 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1 ZINC000466145352 1199495659 /nfs/dbraw/zinc/49/56/59/1199495659.db2.gz ZHRGOKQMIMCTMC-GOSISDBHSA-N 0 3 391.564 0.521 20 0 GCADHN CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)CC1=O ZINC001003342580 1199500222 /nfs/dbraw/zinc/50/02/22/1199500222.db2.gz JQNFVUBVMRYFRE-JJXSEGSLSA-N 0 3 376.501 0.445 20 0 GCADHN CCN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(N(C)C)CCC2)CC1=O ZINC001003345949 1199503034 /nfs/dbraw/zinc/50/30/34/1199503034.db2.gz KFKWAEWLWASJQY-FPCVCCKLSA-N 0 3 376.501 0.587 20 0 GCADHN CCN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2(N(C)C)CCC2)CC1=O ZINC001003345950 1199503079 /nfs/dbraw/zinc/50/30/79/1199503079.db2.gz KFKWAEWLWASJQY-JJXSEGSLSA-N 0 3 376.501 0.587 20 0 GCADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CN=NC1=O ZINC001003354514 1199506867 /nfs/dbraw/zinc/50/68/67/1199506867.db2.gz HJPDOZMGOFKHLH-KBXIAJHMSA-N 0 3 376.461 0.106 20 0 GCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CN(C(C)=O)C1 ZINC001003355072 1199506888 /nfs/dbraw/zinc/50/68/88/1199506888.db2.gz LBYRIAPDFHNPQX-ZJPYXAASSA-N 0 3 376.501 0.587 20 0 GCADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(=O)n1C ZINC001003354700 1199506972 /nfs/dbraw/zinc/50/69/72/1199506972.db2.gz JTSCCEDOXRKYNV-KBXIAJHMSA-N 0 3 375.473 0.862 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nccn1 ZINC001003368351 1199512137 /nfs/dbraw/zinc/51/21/37/1199512137.db2.gz NPQAOSIOLVPOJJ-NXHRZFHOSA-N 0 3 382.468 0.902 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000673288312 1199518855 /nfs/dbraw/zinc/51/88/55/1199518855.db2.gz JUUYJCGKRFBMPI-PKOBYXMFSA-N 0 3 388.512 0.859 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000673306289 1199531143 /nfs/dbraw/zinc/53/11/43/1199531143.db2.gz KGWFFTWSDNNNLS-INIZCTEOSA-N 0 3 378.517 0.836 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cn1 ZINC000265831608 1199541804 /nfs/dbraw/zinc/54/18/04/1199541804.db2.gz OKZADRYTNWAQEQ-OAHLLOKOSA-N 0 3 377.489 0.807 20 0 GCADHN COC[C@H]1CCCN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000673330223 1199547032 /nfs/dbraw/zinc/54/70/32/1199547032.db2.gz WZCQPWCIXSANPC-GOSISDBHSA-N 0 3 389.496 0.897 20 0 GCADHN COC1(CNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CCC1 ZINC000673330214 1199547518 /nfs/dbraw/zinc/54/75/18/1199547518.db2.gz VZPDLEVDCIXAGX-UHFFFAOYSA-N 0 3 389.496 0.945 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@]2(C)CCCS2)CC1 ZINC000673335943 1199548345 /nfs/dbraw/zinc/54/83/45/1199548345.db2.gz GKALIRGAMMNVPH-KBXCAEBGSA-N 0 3 382.530 0.153 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673354099 1199568681 /nfs/dbraw/zinc/56/86/81/1199568681.db2.gz MLLGZZFPENGPAH-KURKYZTESA-N 0 3 390.528 0.979 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000080068333 1199569768 /nfs/dbraw/zinc/56/97/68/1199569768.db2.gz DSASPSTUQPUURQ-UHFFFAOYSA-N 0 3 377.537 0.828 20 0 GCADHN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000673354578 1199572393 /nfs/dbraw/zinc/57/23/93/1199572393.db2.gz NQVMFKOOTWOSQS-DLBZAZTESA-N 0 3 376.501 0.590 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn4ncccc24)C3)C1 ZINC001003522538 1199581729 /nfs/dbraw/zinc/58/17/29/1199581729.db2.gz SJMDRFACEUTCOV-SZXPJGKVSA-N 0 3 382.468 0.933 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000116649787 1199617594 /nfs/dbraw/zinc/61/75/94/1199617594.db2.gz WQTSQYQLDOETLT-KRWDZBQOSA-N 0 3 392.475 0.543 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C(F)F)[nH]n2)O1 ZINC001003706557 1199640914 /nfs/dbraw/zinc/64/09/14/1199640914.db2.gz QYAHYKWFWFIUAL-VIDBKGRSSA-N 0 3 397.426 0.928 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc3cncn3c2)O1 ZINC001003707584 1199642406 /nfs/dbraw/zinc/64/24/06/1199642406.db2.gz HPIBVXUKPRSDPA-NPIHVYMDSA-N 0 3 397.479 0.915 20 0 GCADHN CC[C@H]1CN(C)CCCN1C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000673437741 1199645438 /nfs/dbraw/zinc/64/54/38/1199645438.db2.gz HRFUOOGBZTXDEB-KBXCAEBGSA-N 0 3 380.489 0.545 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3c(n1)COCC3)C2)N(C)C ZINC001003724784 1199646182 /nfs/dbraw/zinc/64/61/82/1199646182.db2.gz AAMKZFXDWSQIKZ-XOUADPBQSA-N 0 3 375.473 0.615 20 0 GCADHN CN(C)S(=O)(=O)CCCN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466366660 1199651801 /nfs/dbraw/zinc/65/18/01/1199651801.db2.gz KJNOQPXUMZAKLP-SFHVURJKSA-N 0 3 394.497 0.464 20 0 GCADHN COC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000265850393 1199678075 /nfs/dbraw/zinc/67/80/75/1199678075.db2.gz YNOJYCXFOISWML-OAHLLOKOSA-N 0 3 399.488 0.627 20 0 GCADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000673485106 1199701378 /nfs/dbraw/zinc/70/13/78/1199701378.db2.gz WWTNPUDPVCOSDK-YWZLYKJASA-N 0 3 378.517 0.924 20 0 GCADHN C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673505014 1199716745 /nfs/dbraw/zinc/71/67/45/1199716745.db2.gz SQWBPZJHXKZHMI-MELADBBJSA-N 0 3 391.472 0.277 20 0 GCADHN C[C@@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCCC1=O)C2 ZINC001003941954 1199717730 /nfs/dbraw/zinc/71/77/30/1199717730.db2.gz YJECHNGWJOOPRK-VQHPVUNQSA-N 0 3 376.501 0.731 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2)N(C)C ZINC001003949413 1199720840 /nfs/dbraw/zinc/72/08/40/1199720840.db2.gz CKKWLAQQUYYIIL-PNBKFKSVSA-N 0 3 379.505 0.236 20 0 GCADHN O=C([C@H](c1ccccc1F)N1CCOCC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673513184 1199724916 /nfs/dbraw/zinc/72/49/16/1199724916.db2.gz LTZLJTNOASGZJW-MDZRGWNJSA-N 0 3 377.460 0.867 20 0 GCADHN O=C([C@H](c1ccccc1F)N1CCOCC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673513181 1199725080 /nfs/dbraw/zinc/72/50/80/1199725080.db2.gz LTZLJTNOASGZJW-FCEWJHQRSA-N 0 3 377.460 0.867 20 0 GCADHN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673519066 1199727048 /nfs/dbraw/zinc/72/70/48/1199727048.db2.gz WDNIUMJHVSVXGS-UONOGXRCSA-N 0 3 382.420 0.810 20 0 GCADHN O=C(NCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)NCc1ccc(Cl)cc1 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/nfs/dbraw/zinc/72/90/80/1199729080.db2.gz RNJLBOCEXNBFAC-RLFYNMQTSA-N 0 3 385.464 0.975 20 0 GCADHN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673514644 1199729459 /nfs/dbraw/zinc/72/94/59/1199729459.db2.gz ZOXCGNRTVAITPN-HUUCEWRRSA-N 0 3 376.848 0.661 20 0 GCADHN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1S(N)(=O)=O ZINC000265855861 1199731325 /nfs/dbraw/zinc/73/13/25/1199731325.db2.gz VNNOTHWBMNBPPG-CYBMUJFWSA-N 0 3 382.486 0.245 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](CO)CN1CCCC1)C2=O ZINC000673531657 1199735046 /nfs/dbraw/zinc/73/50/46/1199735046.db2.gz OUMWNWNGSXLUBS-XAUUPUKJSA-N 0 3 380.489 0.450 20 0 GCADHN CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000265856042 1199739535 /nfs/dbraw/zinc/73/95/35/1199739535.db2.gz SDPPSXOZMFNOGK-CQSZACIVSA-N 0 3 389.500 0.892 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C3)CC1 ZINC001004008735 1199746960 /nfs/dbraw/zinc/74/69/60/1199746960.db2.gz DPYZTHXQGLFILS-HZMVEIRTSA-N 0 3 376.501 0.635 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)[C@H]2C1 ZINC000272519202 1199774371 /nfs/dbraw/zinc/77/43/71/1199774371.db2.gz YDDIXFIDAJCLFQ-CABCVRRESA-N 0 3 376.461 0.300 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(-c3ccco3)on2)CC1=O ZINC000673549494 1199780226 /nfs/dbraw/zinc/78/02/26/1199780226.db2.gz DUGXXTCUHKIZCN-ZDUSSCGKSA-N 0 3 376.413 0.844 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccnc2N2CCCC2)CC1=O ZINC000673550400 1199781297 /nfs/dbraw/zinc/78/12/97/1199781297.db2.gz VJKXONOEZGMULY-MRXNPFEDSA-N 0 3 389.500 0.591 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)C1=O ZINC000499819389 1199781597 /nfs/dbraw/zinc/78/15/97/1199781597.db2.gz JWVQZPAWWXSQRR-HZPDHXFCSA-N 0 3 376.457 0.753 20 0 GCADHN NC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)s1 ZINC001004120098 1199782613 /nfs/dbraw/zinc/78/26/13/1199782613.db2.gz GVGNQNCWOPRETC-UPJWGTAASA-N 0 3 376.482 0.805 20 0 GCADHN CC[C@@H](CN1CCOCC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000922447544 1199790676 /nfs/dbraw/zinc/79/06/76/1199790676.db2.gz IOXCBDPOJRNAIX-OOKSDGMUSA-N 0 3 395.548 0.480 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000041641267 1199798937 /nfs/dbraw/zinc/79/89/37/1199798937.db2.gz JQWXGEBAFJEIGX-CQSZACIVSA-N 0 3 396.513 0.171 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C3)CC1 ZINC001004251618 1199825045 /nfs/dbraw/zinc/82/50/45/1199825045.db2.gz IGDSYOFRIQHAGE-IHSNIMORSA-N 0 3 376.501 0.493 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCN(C(=O)CC3CCS(=O)(=O)CC3)C2)C1=O ZINC001273039442 1199850529 /nfs/dbraw/zinc/85/05/29/1199850529.db2.gz XLXHCUQNIVYKSG-SFHVURJKSA-N 0 3 385.530 0.214 20 0 GCADHN CN(C)CCNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000124989626 1199865119 /nfs/dbraw/zinc/86/51/19/1199865119.db2.gz AURMEQZIIOCWJA-UHFFFAOYSA-N 0 3 387.484 0.590 20 0 GCADHN CN1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C3)C1 ZINC001004371016 1199870986 /nfs/dbraw/zinc/87/09/86/1199870986.db2.gz LQEILZCVBZAXBO-APIJFGDWSA-N 0 3 375.473 0.266 20 0 GCADHN CN1CCN(CCNC(=O)NC2CCN(c3cccnn3)CC2)CC1(C)C ZINC000282374400 1199872649 /nfs/dbraw/zinc/87/26/49/1199872649.db2.gz VUNNFTKSKSRHLB-UHFFFAOYSA-N 0 3 375.521 0.771 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000429005054 1199882152 /nfs/dbraw/zinc/88/21/52/1199882152.db2.gz JWWFXCANVXPCEE-NVXWUHKLSA-N 0 3 397.545 0.639 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cnnn2-c2ccccc2)CC1 ZINC000625016918 1199890145 /nfs/dbraw/zinc/89/01/45/1199890145.db2.gz HJYCCHAKSRDSFI-MRXNPFEDSA-N 0 3 392.529 0.819 20 0 GCADHN O=C(NC[C@H](O)[C@H]1CCOC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429039377 1199895985 /nfs/dbraw/zinc/89/59/85/1199895985.db2.gz HVJCZAFVCKBEGG-OTWHNJEPSA-N 0 3 377.485 0.974 20 0 GCADHN CCS(=O)(=O)N1CCC(NC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000673634004 1199897970 /nfs/dbraw/zinc/89/79/70/1199897970.db2.gz XSJWKWNYQXFLDZ-UHFFFAOYSA-N 0 3 387.546 0.952 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cccc(Cn3cncn3)c2)CC1 ZINC000625110188 1199907103 /nfs/dbraw/zinc/90/71/03/1199907103.db2.gz XCTJQLBRNNZGTC-GOSISDBHSA-N 0 3 382.468 0.881 20 0 GCADHN COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C(C)C)N(C)C)nn1C ZINC001004620405 1199907145 /nfs/dbraw/zinc/90/71/45/1199907145.db2.gz BGBUUMINOPWSIP-LGWLGOQQSA-N 0 3 377.489 0.877 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3n(n1)CCCO3)C2)N(C)C ZINC001004649928 1199910038 /nfs/dbraw/zinc/91/00/38/1199910038.db2.gz ARABLYOCOKUWTF-XOUADPBQSA-N 0 3 375.473 0.868 20 0 GCADHN c1n[nH]cc1-c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H]1CCOC1 ZINC000625167481 1199913784 /nfs/dbraw/zinc/91/37/84/1199913784.db2.gz MVPCSOVSDZLWTA-HZPDHXFCSA-N 0 3 387.488 0.863 20 0 GCADHN c1n[nH]cc1-c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H]1CCOC1 ZINC000625167509 1199913878 /nfs/dbraw/zinc/91/38/78/1199913878.db2.gz MVPCSOVSDZLWTA-JKSUJKDBSA-N 0 3 387.488 0.863 20 0 GCADHN CC(C)(O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN3CC4CC3(C4)CO1)C2 ZINC001004727978 1199918715 /nfs/dbraw/zinc/91/87/15/1199918715.db2.gz SREXHKBVXBUKBS-NBVQCTAOSA-N 0 3 377.485 0.259 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000625240247 1199922914 /nfs/dbraw/zinc/92/29/14/1199922914.db2.gz DKXSDYXNVBCRNY-LJQANCHMSA-N 0 3 398.507 0.915 20 0 GCADHN COC(=O)[C@]1(C)CN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C[C@H]1C ZINC000282428516 1199925984 /nfs/dbraw/zinc/92/59/84/1199925984.db2.gz CZJSBTDWMCOJDY-SPYBWZPUSA-N 0 3 375.473 0.645 20 0 GCADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCCN1Cc1ccccn1 ZINC000673672123 1199926750 /nfs/dbraw/zinc/92/67/50/1199926750.db2.gz BWYKPAYMEQJCSN-PMACEKPBSA-N 0 3 387.528 0.569 20 0 GCADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCCN1Cc1ccccn1 ZINC000673672125 1199926891 /nfs/dbraw/zinc/92/68/91/1199926891.db2.gz BWYKPAYMEQJCSN-VQTJNVASSA-N 0 3 387.528 0.569 20 0 GCADHN CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C(C)C)N(C)C ZINC001004756143 1199930952 /nfs/dbraw/zinc/93/09/52/1199930952.db2.gz LVAYHELCYLREGC-ZBRFXRBCSA-N 0 3 378.517 0.832 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nc(C)ccc1=O)C2)N(C)C ZINC001004781177 1199956945 /nfs/dbraw/zinc/95/69/45/1199956945.db2.gz FYZYTHTYWSLWBL-FPCVCCKLSA-N 0 3 375.473 0.140 20 0 GCADHN CCn1nncc1CNC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000625443636 1199956968 /nfs/dbraw/zinc/95/69/68/1199956968.db2.gz PTJDCXJMFOHKSA-UHFFFAOYSA-N 0 3 376.436 0.644 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCCCC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000625451338 1199958013 /nfs/dbraw/zinc/95/80/13/1199958013.db2.gz JWKRDOGMNSPXCR-GVDBMIGSSA-N 0 3 376.501 0.779 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC(CCOC)CC2)CC1 ZINC000625464185 1199963538 /nfs/dbraw/zinc/96/35/38/1199963538.db2.gz DQAJEZABLZCGBE-UHFFFAOYSA-N 0 3 396.532 0.274 20 0 GCADHN CCC[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)OCC ZINC000625465833 1199964578 /nfs/dbraw/zinc/96/45/78/1199964578.db2.gz ULDVUHYYPGBOQE-MRXNPFEDSA-N 0 3 382.505 0.074 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccnc2ccnn21 ZINC001004813724 1199966874 /nfs/dbraw/zinc/96/68/74/1199966874.db2.gz CVQVUPPPINXYPB-YUELXQCFSA-N 0 3 379.424 0.865 20 0 GCADHN O=C(C[C@H]1CCCCC(=O)N1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001004810240 1199967504 /nfs/dbraw/zinc/96/75/04/1199967504.db2.gz RRCZGWADDDFQHU-VQHPVUNQSA-N 0 3 376.501 0.779 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCc2cncn2C1 ZINC001004814325 1199969816 /nfs/dbraw/zinc/96/98/16/1199969816.db2.gz IBAHOYPYPFNJAS-DTDBQYNISA-N 0 3 382.468 0.968 20 0 GCADHN COc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C2CC2)N(C)C)cnn1C ZINC001004831431 1199972870 /nfs/dbraw/zinc/97/28/70/1199972870.db2.gz VFPQVFNFADXFOL-DMRZNYOFSA-N 0 3 375.473 0.631 20 0 GCADHN COc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C(C)C)N(C)C)cnn1C ZINC001004830200 1199973149 /nfs/dbraw/zinc/97/31/49/1199973149.db2.gz MNOHXTNULNSUSJ-OJLVUWQFSA-N 0 3 377.489 0.877 20 0 GCADHN COc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C2CC2)N(C)C)cnn1C ZINC001004831433 1199973388 /nfs/dbraw/zinc/97/33/88/1199973388.db2.gz VFPQVFNFADXFOL-OJLVUWQFSA-N 0 3 375.473 0.631 20 0 GCADHN CC(C)N1C(=O)CN(C(=O)C(=O)NC[C@H]2CCN2C2CCCC2)CC1(C)C ZINC000625511468 1199986137 /nfs/dbraw/zinc/98/61/37/1199986137.db2.gz DPMIHRDIEJEJJO-MRXNPFEDSA-N 0 3 378.517 0.977 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@@H](C)O1 ZINC000670429500 1199991889 /nfs/dbraw/zinc/99/18/89/1199991889.db2.gz JOTRISQXVKZWTA-VQHPVUNQSA-N 0 3 380.533 0.686 20 0 GCADHN CN1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)N2CCCC2)C3)C1 ZINC001004906144 1200003817 /nfs/dbraw/zinc/00/38/17/1200003817.db2.gz JYLAACHOOLREQO-WCXIOVBPSA-N 0 3 378.517 0.440 20 0 GCADHN COc1nn(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC[C@@H](C)C1 ZINC001004906113 1200004265 /nfs/dbraw/zinc/00/42/65/1200004265.db2.gz ISVWWCWAVWZISJ-XOUADPBQSA-N 0 3 375.473 0.632 20 0 GCADHN CN1CC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)N2CCCC2)C3)C1=O ZINC001004911564 1200007620 /nfs/dbraw/zinc/00/76/20/1200007620.db2.gz CVHJGPCWFHBQRG-FPCVCCKLSA-N 0 3 376.501 0.587 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@H]1CCNC1=O)N1CCCC1 ZINC001004913896 1200009622 /nfs/dbraw/zinc/00/96/22/1200009622.db2.gz OQIZWUULJQTKKC-FPCVCCKLSA-N 0 3 376.501 0.635 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCNC1=O)N1CCCC1 ZINC001004914752 1200011267 /nfs/dbraw/zinc/01/12/67/1200011267.db2.gz TTYRALTZHBIPIN-QXSJWSMHSA-N 0 3 376.501 0.635 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CCC(=O)N1)N1CCCC1 ZINC001004915178 1200011412 /nfs/dbraw/zinc/01/14/12/1200011412.db2.gz XKBXDSHPJDXOSN-JJXSEGSLSA-N 0 3 376.501 0.778 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(=O)n1C)C2 ZINC001004946879 1200024122 /nfs/dbraw/zinc/02/41/22/1200024122.db2.gz WZTGUMDUQPCSQS-APIJFGDWSA-N 0 3 375.473 0.862 20 0 GCADHN C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC(N2CCOCC2)CC1 ZINC000625545786 1200026491 /nfs/dbraw/zinc/02/64/91/1200026491.db2.gz YPLLCAJZQNOLOR-SFHVURJKSA-N 0 3 387.528 0.915 20 0 GCADHN CN(C)CCN1CC2(CCC1=O)CCN(C(=O)[C@H](CO)C(F)(F)F)CC2 ZINC001273116927 1200033774 /nfs/dbraw/zinc/03/37/74/1200033774.db2.gz FCSFDSATONSAMP-ZDUSSCGKSA-N 0 3 379.423 0.950 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC000625560635 1200037715 /nfs/dbraw/zinc/03/77/15/1200037715.db2.gz FILWUOXWYBOVIX-HOTGVXAUSA-N 0 3 376.505 0.163 20 0 GCADHN CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625561787 1200039259 /nfs/dbraw/zinc/03/92/59/1200039259.db2.gz WAGTWRJJQDPGQI-UHFFFAOYSA-N 0 3 383.518 0.551 20 0 GCADHN CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625561787 1200039262 /nfs/dbraw/zinc/03/92/62/1200039262.db2.gz WAGTWRJJQDPGQI-UHFFFAOYSA-N 0 3 383.518 0.551 20 0 GCADHN CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625561787 1200039265 /nfs/dbraw/zinc/03/92/65/1200039265.db2.gz WAGTWRJJQDPGQI-UHFFFAOYSA-N 0 3 383.518 0.551 20 0 GCADHN NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000466575815 1200059646 /nfs/dbraw/zinc/05/96/46/1200059646.db2.gz SWFNWCQHJDRHSC-IRXDYDNUSA-N 0 3 383.537 0.110 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 ZINC000543536098 1200080436 /nfs/dbraw/zinc/08/04/36/1200080436.db2.gz UPIOKXHITVDTEQ-HNNXBMFYSA-N 0 3 398.467 0.819 20 0 GCADHN CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001033275039 1200092911 /nfs/dbraw/zinc/09/29/11/1200092911.db2.gz CTRHFZCUFPGNNV-QBYUYEEZSA-N 0 3 378.473 0.276 20 0 GCADHN C[C@H](c1ccccc1)N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000670454574 1200112124 /nfs/dbraw/zinc/11/21/24/1200112124.db2.gz YVEUJAQOWNWMDT-QGZVFWFLSA-N 0 3 386.496 0.973 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000543552231 1200114062 /nfs/dbraw/zinc/11/40/62/1200114062.db2.gz PEUFTMVBZKWJGY-CYBMUJFWSA-N 0 3 394.497 0.405 20 0 GCADHN CN(C)[C@@H](CNC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)Cc1ccccc1 ZINC000429201786 1200117519 /nfs/dbraw/zinc/11/75/19/1200117519.db2.gz STRKFWXRWFNBQV-QGZVFWFLSA-N 0 3 384.484 0.951 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC(=O)N1C)C2)C1CCC1 ZINC001005087104 1200121076 /nfs/dbraw/zinc/12/10/76/1200121076.db2.gz YVTAMNDWFGUBDY-WCXIOVBPSA-N 0 3 376.501 0.730 20 0 GCADHN O=C(N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001083853901 1200182699 /nfs/dbraw/zinc/18/26/99/1200182699.db2.gz VPZOAHOJXXQHAE-AKHDSKFASA-N 0 3 392.500 0.266 20 0 GCADHN CN(C)C1(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCC1 ZINC001061655618 1200191728 /nfs/dbraw/zinc/19/17/28/1200191728.db2.gz SHIGIHDNIDHYPI-VVLHAWIVSA-N 0 3 379.501 0.629 20 0 GCADHN CSc1ccncc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000674269463 1200209445 /nfs/dbraw/zinc/20/94/45/1200209445.db2.gz BACARXCUJSNYLG-AWEZNQCLSA-N 0 3 393.513 0.801 20 0 GCADHN O=C(CN1CCCC1)N1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000171437210 1200215738 /nfs/dbraw/zinc/21/57/38/1200215738.db2.gz MWJICJODURXKBO-SFHVURJKSA-N 0 3 384.480 0.554 20 0 GCADHN COC1CCN(CCNC(=O)NCc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000674326325 1200221544 /nfs/dbraw/zinc/22/15/44/1200221544.db2.gz FGQLAQJPHZONSC-UHFFFAOYSA-N 0 3 398.529 0.847 20 0 GCADHN COc1cc(CNC(=O)NCCN2CCC(OC)CC2)ccc1OCC(N)=O ZINC000674329252 1200222376 /nfs/dbraw/zinc/22/23/76/1200222376.db2.gz XXXJPHVTAHBSIE-UHFFFAOYSA-N 0 3 394.472 0.469 20 0 GCADHN COC1CCN(CCNC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000674331489 1200226020 /nfs/dbraw/zinc/22/60/20/1200226020.db2.gz HLLXBOGYRNZIBP-CZUORRHYSA-N 0 3 378.477 0.324 20 0 GCADHN CCN(C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001061675105 1200226454 /nfs/dbraw/zinc/22/64/54/1200226454.db2.gz OATBHTGPESOPSE-LUKYLMHMSA-N 0 3 381.517 0.875 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C3)CCC1 ZINC001005271715 1200235607 /nfs/dbraw/zinc/23/56/07/1200235607.db2.gz LKYSHNFLMHMWDB-BKEDOTJMSA-N 0 3 376.501 0.635 20 0 GCADHN Cc1ncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C3)[nH]1 ZINC001005337566 1200259290 /nfs/dbraw/zinc/25/92/90/1200259290.db2.gz GBEKPDDVDOCDPR-JHNDHUHGSA-N 0 3 375.473 0.689 20 0 GCADHN CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CCN2C1=O ZINC000674594280 1200283231 /nfs/dbraw/zinc/28/32/31/1200283231.db2.gz HTDSHMCQMNWSOT-IAGOWNOFSA-N 0 3 385.468 0.789 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CN1C1CC1 ZINC000674701218 1200308033 /nfs/dbraw/zinc/30/80/33/1200308033.db2.gz JDUXKBQFDBLVMO-GJZGRUSLSA-N 0 3 377.489 0.088 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCN(S(=O)(=O)C2CC2)CC1)c1ccccc1 ZINC000625730859 1200313785 /nfs/dbraw/zinc/31/37/85/1200313785.db2.gz QCCCTDANSAHNCV-SFHVURJKSA-N 0 3 394.541 0.515 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H]1Cc2cccc(O)c2C1 ZINC000429240852 1200335101 /nfs/dbraw/zinc/33/51/01/1200335101.db2.gz ZABQULGKCVDDDN-LBPRGKRZSA-N 0 3 391.449 0.744 20 0 GCADHN O=C(Nc1cccn(CC(F)(F)F)c1=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000674992312 1200341946 /nfs/dbraw/zinc/34/19/46/1200341946.db2.gz BSBIKIBMHYQCHY-LBPRGKRZSA-N 0 3 386.374 0.950 20 0 GCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000658265838 1200378579 /nfs/dbraw/zinc/37/85/79/1200378579.db2.gz VHHBPCAAVZSWNC-MRXNPFEDSA-N 0 3 390.484 0.990 20 0 GCADHN CN1CCCC[C@@H]1C(=O)N1CC2(C1)SCC[C@H]2C(=O)NCc1cnc[nH]1 ZINC001273137150 1200412088 /nfs/dbraw/zinc/41/20/88/1200412088.db2.gz GWNLSSABFFYIDI-LSDHHAIUSA-N 0 3 377.514 0.844 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000675541513 1200428735 /nfs/dbraw/zinc/42/87/35/1200428735.db2.gz UYGNGZKDTGSDLZ-AEFFLSMTSA-N 0 3 385.464 0.875 20 0 GCADHN NC(=O)c1csc(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)n1 ZINC000658505330 1200430192 /nfs/dbraw/zinc/43/01/92/1200430192.db2.gz ABBXTLMYMOQCJZ-GFCCVEGCSA-N 0 3 379.486 0.335 20 0 GCADHN Cc1cccc(C)c1OC[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000675581193 1200435233 /nfs/dbraw/zinc/43/52/33/1200435233.db2.gz ZKQKVISGJUMIJN-IRXDYDNUSA-N 0 3 377.485 0.569 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cnn(CC2CC2)c1 ZINC000675592149 1200440070 /nfs/dbraw/zinc/44/00/70/1200440070.db2.gz GILOBUJWYLPWSZ-MRXNPFEDSA-N 0 3 390.488 0.291 20 0 GCADHN COc1ccc(NC(=O)C[C@@H](C)NCC(=O)N2CCN(C)CC2)c(OC)c1 ZINC000675781826 1200458777 /nfs/dbraw/zinc/45/87/77/1200458777.db2.gz CNAKEDTVXWGJKJ-CQSZACIVSA-N 0 3 378.473 0.785 20 0 GCADHN CC/C=C\CCN1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064503 1200458999 /nfs/dbraw/zinc/45/89/99/1200458999.db2.gz IASMSFLCRJZBPD-OZZPGMFRSA-N 0 3 376.505 0.695 20 0 GCADHN COc1ccc(OC)c(NC(=O)C[C@H](C)NCC(=O)N2CCN(C)CC2)c1 ZINC000675781834 1200459167 /nfs/dbraw/zinc/45/91/67/1200459167.db2.gz DAUYZLYCOQXYOJ-AWEZNQCLSA-N 0 3 378.473 0.785 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)CC1 ZINC000675916784 1200467845 /nfs/dbraw/zinc/46/78/45/1200467845.db2.gz NPROUPAKSOKQSR-HZPDHXFCSA-N 0 3 378.517 0.789 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000675916582 1200468142 /nfs/dbraw/zinc/46/81/42/1200468142.db2.gz KJRYNAIDGYUFQW-SJLPKXTDSA-N 0 3 399.495 0.195 20 0 GCADHN CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CC2 ZINC001035210049 1200469585 /nfs/dbraw/zinc/46/95/85/1200469585.db2.gz SEHJEYZHQHVMRO-XYJFISCASA-N 0 3 379.501 0.441 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCN2CCCCC2=O)CC1 ZINC000675981232 1200475225 /nfs/dbraw/zinc/47/52/25/1200475225.db2.gz JDNVWISPLQCMQI-INIZCTEOSA-N 0 3 379.505 0.337 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nnnn2-c2ccccc2)CC1 ZINC000675981601 1200475536 /nfs/dbraw/zinc/47/55/36/1200475536.db2.gz CJVONVRMWOMATB-MRXNPFEDSA-N 0 3 398.471 0.110 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000675968690 1200475587 /nfs/dbraw/zinc/47/55/87/1200475587.db2.gz UTRNQHVSAUGGHG-IBGZPJMESA-N 0 3 385.512 0.950 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000676270614 1200524599 /nfs/dbraw/zinc/52/45/99/1200524599.db2.gz UQBFMMRLWSVPIV-MRXNPFEDSA-N 0 3 387.484 0.766 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000676279930 1200527953 /nfs/dbraw/zinc/52/79/53/1200527953.db2.gz RAJXBJOXSIUERC-CXAGYDPISA-N 0 3 378.473 0.531 20 0 GCADHN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)[C@H]1CN(C)CCO1 ZINC000676305704 1200541203 /nfs/dbraw/zinc/54/12/03/1200541203.db2.gz IKYQXLXBZKHDPB-IJXRJRJASA-N 0 3 390.528 0.888 20 0 GCADHN CNc1nc(N[C@H](C)[C@@H]2CN(C)CCO2)nc(N[C@H](C)[C@@H]2CN(C)CCO2)n1 ZINC000676314474 1200544549 /nfs/dbraw/zinc/54/45/49/1200544549.db2.gz AWLFTQXMIRCJKB-KBXIAJHMSA-N 0 3 394.524 0.175 20 0 GCADHN C[C@]1(c2cccc(C(=O)NC3CCN([C@@H]4CCOC4)CC3)c2)NC(=O)NC1=O ZINC000676345250 1200545546 /nfs/dbraw/zinc/54/55/46/1200545546.db2.gz NBHPHEMLOWXXSC-OXQOHEQNSA-N 0 3 386.452 0.724 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000676345439 1200545942 /nfs/dbraw/zinc/54/59/42/1200545942.db2.gz NJBMRLBZXNHDJP-SFHVURJKSA-N 0 3 395.525 0.761 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000676343917 1200546090 /nfs/dbraw/zinc/54/60/90/1200546090.db2.gz ZJEDVFXJNTUJRP-HNNXBMFYSA-N 0 3 381.498 0.886 20 0 GCADHN CCNS(=O)(=O)c1cccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000676345692 1200546433 /nfs/dbraw/zinc/54/64/33/1200546433.db2.gz XPYZMZCWKIJWQZ-INIZCTEOSA-N 0 3 381.498 0.968 20 0 GCADHN CN(CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(C)(C)C ZINC001061909295 1200548603 /nfs/dbraw/zinc/54/86/03/1200548603.db2.gz STJYSIQETUHBCL-PITCONLNSA-N 0 3 393.528 0.731 20 0 GCADHN NCc1nc(=O)[n-]n1-c1cc(N2CCC[C@@H]([NH3+])C2)nc(Oc2ccccc2)n1 ZINC001168760387 1200564811 /nfs/dbraw/zinc/56/48/11/1200564811.db2.gz JMVFAVJDTUPHFF-GFCCVEGCSA-N 0 3 382.428 0.941 20 0 GCADHN CCN(CC)CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001062300604 1200596011 /nfs/dbraw/zinc/59/60/11/1200596011.db2.gz OOXCQBZZDTVJFT-MJQMVNBJSA-N 0 3 381.517 0.877 20 0 GCADHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@@H](C)C1 ZINC000560146993 1200629977 /nfs/dbraw/zinc/62/99/77/1200629977.db2.gz GPBWWPVLWJXYRR-YNEHKIRRSA-N 0 3 387.406 1.573 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(C(=O)NC)cc2)CC1 ZINC000509277194 1200694307 /nfs/dbraw/zinc/69/43/07/1200694307.db2.gz ARAXGUCBLATAMG-UHFFFAOYSA-N 0 3 389.500 0.742 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)C2)CC1 ZINC000543275723 1200734042 /nfs/dbraw/zinc/73/40/42/1200734042.db2.gz WFEXWRWWAHECBN-OAHLLOKOSA-N 0 3 391.520 0.599 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000429298602 1200735219 /nfs/dbraw/zinc/73/52/19/1200735219.db2.gz FBHPMJZHZXMQMP-KFWWJZLASA-N 0 3 398.504 0.337 20 0 GCADHN Cc1cc(CNC(=O)NCCN2CCN(C)C(C)(C)C2)ccc1S(N)(=O)=O ZINC000282532773 1200751878 /nfs/dbraw/zinc/75/18/78/1200751878.db2.gz WLWVWYVBZIIOCP-UHFFFAOYSA-N 0 3 397.545 0.468 20 0 GCADHN COCCN(C(=O)CN[C@H]1Cc2cccc(O)c2C1)[C@H]1CCS(=O)(=O)C1 ZINC000429301824 1200753979 /nfs/dbraw/zinc/75/39/79/1200753979.db2.gz OPXMGHFBSDVCFK-GJZGRUSLSA-N 0 3 382.482 0.111 20 0 GCADHN COC(=O)CCCc1nnc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)s1 ZINC000364720858 1200780615 /nfs/dbraw/zinc/78/06/15/1200780615.db2.gz FJQDEJBFULWPCG-NWDGAFQWSA-N 0 3 383.474 1.019 20 0 GCADHN COC(=O)CCCc1nnc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000364720852 1200780635 /nfs/dbraw/zinc/78/06/35/1200780635.db2.gz FJQDEJBFULWPCG-NEPJUHHUSA-N 0 3 383.474 1.019 20 0 GCADHN CC(C)N1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001487033408 1200806914 /nfs/dbraw/zinc/80/69/14/1200806914.db2.gz NBFSODHBGKYNTA-UFYUIRFASA-N 0 3 391.512 0.362 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000579921287 1200818001 /nfs/dbraw/zinc/81/80/01/1200818001.db2.gz LZMYITVKPNKXDS-KRWDZBQOSA-N 0 3 385.468 0.833 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1ccn(CCC(F)(F)F)n1 ZINC000425783065 1200823826 /nfs/dbraw/zinc/82/38/26/1200823826.db2.gz PNOCEOMLBHYEMG-GFCCVEGCSA-N 0 3 391.394 0.737 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNCCC(=O)Nc2cc(C)on2)cc1 ZINC000568618409 1200869708 /nfs/dbraw/zinc/86/97/08/1200869708.db2.gz MOMRFKBJIXKGLK-UHFFFAOYSA-N 0 3 396.469 1.026 20 0 GCADHN CN(CCN1CCN(C(=O)NCCCS(N)(=O)=O)CC1)Cc1ccccc1 ZINC000923209392 1200876074 /nfs/dbraw/zinc/87/60/74/1200876074.db2.gz JSASBGUSSFIGKJ-UHFFFAOYSA-N 0 3 397.545 0.124 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1 ZINC000498633113 1200901426 /nfs/dbraw/zinc/90/14/26/1200901426.db2.gz FLYJPVQZRHDKCS-MRXNPFEDSA-N 0 3 384.484 0.953 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(-c3ccnn3C)nn2)CC1 ZINC000417336663 1200901525 /nfs/dbraw/zinc/90/15/25/1200901525.db2.gz HYYFQSDLBXMMHO-OAHLLOKOSA-N 0 3 386.504 1.272 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCOC[C@H]2CCCO2)CC1 ZINC000509360442 1200912787 /nfs/dbraw/zinc/91/27/87/1200912787.db2.gz WNFMXYTVSUFHGN-QGZVFWFLSA-N 0 3 384.521 0.768 20 0 GCADHN Cn1cnc2c1nccc2C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCN1C ZINC001006006359 1200914776 /nfs/dbraw/zinc/91/47/76/1200914776.db2.gz XGJYPJFIZWQSFC-DMRZNYOFSA-N 0 3 382.468 0.924 20 0 GCADHN Cc1ccc(NCCCNC(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)nc1 ZINC000417073619 1200938505 /nfs/dbraw/zinc/93/85/05/1200938505.db2.gz YHJHMVQCERQJDQ-QGZVFWFLSA-N 0 3 388.516 1.045 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 ZINC000625974960 1200974349 /nfs/dbraw/zinc/97/43/49/1200974349.db2.gz KOQKXBDDPBDXCV-OAHLLOKOSA-N 0 3 377.489 0.779 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000560180492 1200979530 /nfs/dbraw/zinc/97/95/30/1200979530.db2.gz KTECNFQICWSFHR-OKILXGFUSA-N 0 3 391.472 0.772 20 0 GCADHN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000368790691 1200983894 /nfs/dbraw/zinc/98/38/94/1200983894.db2.gz NCAIQEFIQLHNJR-ZDUSSCGKSA-N 0 3 386.431 1.420 20 0 GCADHN CC[C@H](C)n1nc(NC(=O)C(=O)NC[C@H](C)N2CCN(CC)CC2)cc1C ZINC000553315867 1201010812 /nfs/dbraw/zinc/01/08/12/1201010812.db2.gz FIVZRFJSPJIBSV-HOCLYGCPSA-N 0 3 378.521 1.243 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000372124715 1201051930 /nfs/dbraw/zinc/05/19/30/1201051930.db2.gz SJMMCQBDXUVNAB-AWEZNQCLSA-N 0 3 375.452 1.554 20 0 GCADHN Cc1onc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1C ZINC000559667974 1201059117 /nfs/dbraw/zinc/05/91/17/1201059117.db2.gz BTSOSFRKIBZSNK-IRXDYDNUSA-N 0 3 386.452 1.229 20 0 GCADHN CO[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000946912539 1201068951 /nfs/dbraw/zinc/06/89/51/1201068951.db2.gz RRGLHUFGIQRKAD-BSDSXHPESA-N 0 3 389.500 0.350 20 0 GCADHN C[C@@H]1CN(C(=O)Nc2cc(OC(F)F)n(C)n2)CC[C@H]1N1CCN(C)CC1 ZINC000548655645 1201077324 /nfs/dbraw/zinc/07/73/24/1201077324.db2.gz UPYBKTQGZWUQBH-CHWSQXEVSA-N 0 3 386.447 1.511 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)c3nc(N)nc(N(C)C)n3)CC2)C[C@@H](C)O1 ZINC000561270602 1201131271 /nfs/dbraw/zinc/13/12/71/1201131271.db2.gz UKEHQZMOWWTUQY-ZIAGYGMSSA-N 0 3 391.520 0.871 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000566363845 1201132649 /nfs/dbraw/zinc/13/26/49/1201132649.db2.gz CTPQTEAVMHXZCQ-UHFFFAOYSA-N 0 3 391.501 0.556 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000583941343 1201163469 /nfs/dbraw/zinc/16/34/69/1201163469.db2.gz BSZRYKOQPMWYOA-UHFFFAOYSA-N 0 3 388.520 0.398 20 0 GCADHN Nc1nc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000568633231 1201179802 /nfs/dbraw/zinc/17/98/02/1201179802.db2.gz FXWIFSPYGZKBSA-MRXNPFEDSA-N 0 3 397.483 0.857 20 0 GCADHN COCCN1CCC(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000142456786 1201183926 /nfs/dbraw/zinc/18/39/26/1201183926.db2.gz OBJODLNXLWNSFK-UHFFFAOYSA-N 0 3 381.454 0.058 20 0 GCADHN CCC1(N2CCOCC2)CCN([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000626087579 1201191713 /nfs/dbraw/zinc/19/17/13/1201191713.db2.gz SOVPNEDHCCFCLK-CVEARBPZSA-N 0 3 387.546 0.255 20 0 GCADHN CCC1(N2CCOCC2)CCN([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000626087581 1201191793 /nfs/dbraw/zinc/19/17/93/1201191793.db2.gz SOVPNEDHCCFCLK-HZPDHXFCSA-N 0 3 387.546 0.255 20 0 GCADHN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000495474823 1201194157 /nfs/dbraw/zinc/19/41/57/1201194157.db2.gz SMWAIVTZYLFIQG-HSMRXVHUSA-N 0 3 379.505 0.914 20 0 GCADHN Cc1[nH]cnc1CC(=O)NCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1 ZINC001063863839 1201204946 /nfs/dbraw/zinc/20/49/46/1201204946.db2.gz MKOGHHODFRCHMQ-GRDNDAEWSA-N 0 3 376.457 0.467 20 0 GCADHN C[C@H]1CCCN1CC(=O)NC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1 ZINC001063969271 1201205325 /nfs/dbraw/zinc/20/53/25/1201205325.db2.gz SAHSEKAZZMMGDW-NBOOPKSLSA-N 0 3 379.501 0.677 20 0 GCADHN C[C@@H]1CCN(CC(=O)NC2(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCC2)C1 ZINC001063969112 1201205454 /nfs/dbraw/zinc/20/54/54/1201205454.db2.gz OBEPJGSBSAHLNI-MUQADHOPSA-N 0 3 379.501 0.535 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C[C@H](C)O1 ZINC000500420773 1201222017 /nfs/dbraw/zinc/22/20/17/1201222017.db2.gz FZYPMUZYARAQOG-TXCQNJFZSA-N 0 3 388.512 0.946 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cnc(C4CC4)nc3)C2)CC1 ZINC000611367695 1201233160 /nfs/dbraw/zinc/23/31/60/1201233160.db2.gz ODTUDERFFJOMFX-QGZVFWFLSA-N 0 3 386.500 0.919 20 0 GCADHN CN(C)[C@H](CNC(=O)N(CCO)CCN1CCOCC1)Cc1ccccc1 ZINC000489832741 1201237932 /nfs/dbraw/zinc/23/79/32/1201237932.db2.gz AYNUQJQBRRRSHA-IBGZPJMESA-N 0 3 378.517 0.495 20 0 GCADHN CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001079715121 1201256124 /nfs/dbraw/zinc/25/61/24/1201256124.db2.gz RZQUWXOLNMEAFC-DLTWYDFYSA-N 0 3 380.489 0.426 20 0 GCADHN C[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001079890786 1201260457 /nfs/dbraw/zinc/26/04/57/1201260457.db2.gz KITDCNIOWMPCEY-DNNBLBMLSA-N 0 3 380.514 0.775 20 0 GCADHN 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CC(C)N(C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001080926107 1201287381 /nfs/dbraw/zinc/28/73/81/1201287381.db2.gz BBVUZDKZHNMKRF-XYJFISCASA-N 0 3 381.517 0.611 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)N(C)C ZINC001080926441 1201287595 /nfs/dbraw/zinc/28/75/95/1201287595.db2.gz PUJLDEAQBSYWPG-UFYUIRFASA-N 0 3 393.528 0.466 20 0 GCADHN C[C@H]1CCN(CC(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC001081022860 1201293885 /nfs/dbraw/zinc/29/38/85/1201293885.db2.gz PUAVPJUPLXKRMZ-HZMVEIRTSA-N 0 3 379.501 0.365 20 0 GCADHN CO[C@@H]1CN(CCn2nc(C)cc2C)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001081848042 1201306075 /nfs/dbraw/zinc/30/60/75/1201306075.db2.gz JEJBEHSTNNVFEH-BRSBDYLESA-N 0 3 379.505 0.034 20 0 GCADHN CCN(CC)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001082211366 1201326651 /nfs/dbraw/zinc/32/66/51/1201326651.db2.gz OOXCQBZZDTVJFT-LSTDLKDCSA-N 0 3 381.517 0.877 20 0 GCADHN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CNC[C@@H]1CCCO1 ZINC000727057350 1201332031 /nfs/dbraw/zinc/33/20/31/1201332031.db2.gz XYPLRFVROLVCHZ-SFHVURJKSA-N 0 3 390.484 0.689 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1NCc1n[nH]c(C(C)(C)C)n1 ZINC001082518614 1201336054 /nfs/dbraw/zinc/33/60/54/1201336054.db2.gz VQXYBZWBADJXLC-AAVRWANBSA-N 0 3 376.505 0.953 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082523385 1201337050 /nfs/dbraw/zinc/33/70/50/1201337050.db2.gz OCKHTQIOMDJLHH-DMHIMHRUSA-N 0 3 386.496 0.623 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1NCC(=O)N1CCc2ccccc21 ZINC001082569076 1201338182 /nfs/dbraw/zinc/33/81/82/1201338182.db2.gz JQSPMQPBGNTTBL-MJEZEWASSA-N 0 3 387.480 0.816 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082637727 1201341180 /nfs/dbraw/zinc/34/11/80/1201341180.db2.gz ZZTMHWQEVIAPQC-DTZQCDIJSA-N 0 3 376.501 0.703 20 0 GCADHN C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1NCc1cc(=O)n2nccc2[nH]1 ZINC001082637953 1201341755 /nfs/dbraw/zinc/34/17/55/1201341755.db2.gz NHMUFTHBSLYMBK-CQNRTFJUSA-N 0 3 385.468 0.918 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NCc1cccc(C(N)=O)c1 ZINC001082658116 1201343940 /nfs/dbraw/zinc/34/39/40/1201343940.db2.gz MVJPAEJJULMEAL-CAEUUNHDSA-N 0 3 387.480 0.774 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082658557 1201344319 /nfs/dbraw/zinc/34/43/19/1201344319.db2.gz KMLKZZNIMPIHCR-ZMIKWESLSA-N 0 3 393.528 0.733 20 0 GCADHN Cc1nn(C(C)C)cc1CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001082739105 1201345826 /nfs/dbraw/zinc/34/58/26/1201345826.db2.gz YGCKWVFAMPVSRC-VDNDLQMASA-N 0 3 377.489 0.742 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1NCC(=O)N1CCC(C)CC1 ZINC001082744865 1201347275 /nfs/dbraw/zinc/34/72/75/1201347275.db2.gz MEVNZPVYGXTODZ-WCXIOVBPSA-N 0 3 378.517 0.406 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001082755248 1201348301 /nfs/dbraw/zinc/34/83/01/1201348301.db2.gz WCIUXVAEPOHEFA-DTZQCDIJSA-N 0 3 386.452 0.417 20 0 GCADHN CC(C)NC(=O)CNC(=S)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000727278697 1201353966 /nfs/dbraw/zinc/35/39/66/1201353966.db2.gz WUPACLDYNRTZFE-UHFFFAOYSA-N 0 3 379.486 0.967 20 0 GCADHN COC(=O)Nc1cc(NC(=O)C(=O)NCCCN2CCN(C)CC2)ccc1F ZINC000727608675 1201360191 /nfs/dbraw/zinc/36/01/91/1201360191.db2.gz NAMDRQPNSOAYGS-UHFFFAOYSA-N 0 3 395.435 0.696 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1 ZINC000727611634 1201360743 /nfs/dbraw/zinc/36/07/43/1201360743.db2.gz YRWLDXNPYNQOIF-UHFFFAOYSA-N 0 3 395.435 0.696 20 0 GCADHN CC(C)(C)n1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000532998503 1201368683 /nfs/dbraw/zinc/36/86/83/1201368683.db2.gz WAFMMELCOSOPGZ-UHFFFAOYSA-N 0 3 390.488 0.343 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCc3cncn3C)cc2)CC1 ZINC000290170991 1201401640 /nfs/dbraw/zinc/40/16/40/1201401640.db2.gz XZEUPLHRBQMFDX-UHFFFAOYSA-N 0 3 384.484 0.813 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 ZINC000173457509 1201406216 /nfs/dbraw/zinc/40/62/16/1201406216.db2.gz ROUZRDPVHRIYLV-AWEZNQCLSA-N 0 3 394.545 0.829 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 ZINC000173457523 1201406604 /nfs/dbraw/zinc/40/66/04/1201406604.db2.gz ROUZRDPVHRIYLV-CQSZACIVSA-N 0 3 394.545 0.829 20 0 GCADHN CCn1cc(CCN2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001084447291 1201413058 /nfs/dbraw/zinc/41/30/58/1201413058.db2.gz HRQBEIQIGYQPSU-NXWXRZEISA-N 0 3 375.517 0.697 20 0 GCADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@H]2CCN(CCCN3CCCC3=O)C[C@H]21 ZINC001084540724 1201416435 /nfs/dbraw/zinc/41/64/35/1201416435.db2.gz UOMNQLUCYIKGMV-ZMIKWESLSA-N 0 3 391.512 0.583 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)C1 ZINC000729981469 1201423016 /nfs/dbraw/zinc/42/30/16/1201423016.db2.gz XQIZGYZSZSUWPI-IUODEOHRSA-N 0 3 378.395 0.787 20 0 GCADHN CC[C@H]1C(=O)NCCN1CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000730256301 1201440451 /nfs/dbraw/zinc/44/04/51/1201440451.db2.gz AYEIIJXULPYFSH-UWJYYQICSA-N 0 3 399.495 0.741 20 0 GCADHN CC[C@@H]1C(=O)NCCN1CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000730256298 1201440590 /nfs/dbraw/zinc/44/05/90/1201440590.db2.gz AYEIIJXULPYFSH-DYESRHJHSA-N 0 3 399.495 0.741 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)C2=O ZINC000730257084 1201440794 /nfs/dbraw/zinc/44/07/94/1201440794.db2.gz FGVHFQFRPPYKIZ-CYBMUJFWSA-N 0 3 381.477 0.559 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)COc2ccc(C=O)cc2OC)CC1 ZINC000731630616 1201491670 /nfs/dbraw/zinc/49/16/70/1201491670.db2.gz JJLDDSWNWWBKNT-UHFFFAOYSA-N 0 3 391.468 0.899 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(N)=O)co1)C2)N(C)C ZINC001006220147 1201511645 /nfs/dbraw/zinc/51/16/45/1201511645.db2.gz QSWPUMATDMNOJE-HGTKMLMNSA-N 0 3 376.457 0.826 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CCN(CC(=O)N4CCCC4)[C@H]3C2)O1 ZINC001084970024 1201513793 /nfs/dbraw/zinc/51/37/93/1201513793.db2.gz KELMWHWFQUMRDE-ZJPYXAASSA-N 0 3 378.517 0.251 20 0 GCADHN O=C(CNC(=O)OCC(F)(F)F)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000732072218 1201517298 /nfs/dbraw/zinc/51/72/98/1201517298.db2.gz DPQLZFWZODJTMX-UHFFFAOYSA-N 0 3 380.367 0.042 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000732073768 1201517479 /nfs/dbraw/zinc/51/74/79/1201517479.db2.gz LHXMJMROANLIBP-UHFFFAOYSA-N 0 3 382.383 0.288 20 0 GCADHN CCNS(=O)(=O)CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000732290848 1201533307 /nfs/dbraw/zinc/53/33/07/1201533307.db2.gz FBQWQWBUHATNHJ-UHFFFAOYSA-N 0 3 382.530 0.644 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCCN2C(=O)C2(C)CCS(=O)(=O)CC2)C1=O ZINC001273256102 1201552346 /nfs/dbraw/zinc/55/23/46/1201552346.db2.gz CYHWUNDCURNZSU-SFHVURJKSA-N 0 3 385.530 0.356 20 0 GCADHN Cc1c(C(=O)N2CC(n3cncn3)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000732759846 1201559319 /nfs/dbraw/zinc/55/93/19/1201559319.db2.gz DXGJUBUJGZZMFI-UHFFFAOYSA-N 0 3 378.440 0.852 20 0 GCADHN CCN1CCN(CCNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733161045 1201578507 /nfs/dbraw/zinc/57/85/07/1201578507.db2.gz GYBSFLLVGVRJIS-NBVRZTHBSA-N 0 3 387.463 0.872 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)cc2)CC1 ZINC000733674218 1201602168 /nfs/dbraw/zinc/60/21/68/1201602168.db2.gz PUPQEBICJRHNGS-AWEZNQCLSA-N 0 3 396.513 0.316 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)C1 ZINC000282599788 1201616113 /nfs/dbraw/zinc/61/61/13/1201616113.db2.gz BEJHNFWCORJZOC-IRXDYDNUSA-N 0 3 390.484 0.686 20 0 GCADHN CNC(=O)NC1CN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000282700469 1201621731 /nfs/dbraw/zinc/62/17/31/1201621731.db2.gz FVHWACMFOZTJKN-SFHVURJKSA-N 0 3 388.516 0.688 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC000733889225 1201625059 /nfs/dbraw/zinc/62/50/59/1201625059.db2.gz BNULKHBFCXHOGA-AWEZNQCLSA-N 0 3 382.505 0.912 20 0 GCADHN CCN(CC)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001066196171 1201633037 /nfs/dbraw/zinc/63/30/37/1201633037.db2.gz LWNVYKFDTSMSRZ-LSTDLKDCSA-N 0 3 381.517 0.877 20 0 GCADHN C[C@H](CNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)CN1CCN(C)CC1 ZINC000733976182 1201636155 /nfs/dbraw/zinc/63/61/55/1201636155.db2.gz IXBXZYFBGAICRP-CZUORRHYSA-N 0 3 391.438 0.560 20 0 GCADHN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000734269690 1201648716 /nfs/dbraw/zinc/64/87/16/1201648716.db2.gz MORUTGLGIKDLTI-AWEZNQCLSA-N 0 3 395.504 0.602 20 0 GCADHN COc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)sn1 ZINC001085329984 1201668251 /nfs/dbraw/zinc/66/82/51/1201668251.db2.gz NRLSHHZVESQEBG-YIYPIFLZSA-N 0 3 382.486 0.702 20 0 GCADHN COc1coc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1=O ZINC001085330699 1201669629 /nfs/dbraw/zinc/66/96/29/1201669629.db2.gz XIDRQHXQHALDOK-LUYZLQTOSA-N 0 3 393.440 0.198 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)c3cn(C)c(=O)n(C)c3=O)cc2)CC1 ZINC000735036381 1201673498 /nfs/dbraw/zinc/67/34/98/1201673498.db2.gz SQLKCSVTUFHCOS-UHFFFAOYSA-N 0 3 385.468 0.474 20 0 GCADHN NC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)cc1 ZINC000735512987 1201690450 /nfs/dbraw/zinc/69/04/50/1201690450.db2.gz LZHBFMQZSUKTRW-QZTJIDSGSA-N 0 3 387.484 0.480 20 0 GCADHN NC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)cc1 ZINC000735512985 1201690859 /nfs/dbraw/zinc/69/08/59/1201690859.db2.gz LZHBFMQZSUKTRW-MSOLQXFVSA-N 0 3 387.484 0.480 20 0 GCADHN CS(=O)(=O)NCc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735578227 1201692618 /nfs/dbraw/zinc/69/26/18/1201692618.db2.gz WWXVZQPWOHGLEB-HZPDHXFCSA-N 0 3 382.486 0.721 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1NC(C)=O ZINC000735590501 1201694546 /nfs/dbraw/zinc/69/45/46/1201694546.db2.gz RAPDRENJSCIRII-CABCVRRESA-N 0 3 390.440 0.572 20 0 GCADHN COCCN(C)CCNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000735590763 1201694764 /nfs/dbraw/zinc/69/47/64/1201694764.db2.gz SRJDHXZEUNATQK-UHFFFAOYSA-N 0 3 377.489 0.071 20 0 GCADHN COCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735592150 1201694767 /nfs/dbraw/zinc/69/47/67/1201694767.db2.gz CEOXXIKAHDWAPW-HZPDHXFCSA-N 0 3 390.440 0.189 20 0 GCADHN NC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000735590752 1201695026 /nfs/dbraw/zinc/69/50/26/1201695026.db2.gz SPXKZLUXTYNAAG-NWDGAFQWSA-N 0 3 380.832 0.357 20 0 GCADHN COCCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000735596434 1201695448 /nfs/dbraw/zinc/69/54/48/1201695448.db2.gz SMFDFSPDYAQTII-HUUCEWRRSA-N 0 3 377.441 0.630 20 0 GCADHN COC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000735594417 1201695518 /nfs/dbraw/zinc/69/55/18/1201695518.db2.gz LXOVZWMXADIIRO-GJZGRUSLSA-N 0 3 376.413 0.783 20 0 GCADHN COCCOCc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735595908 1201695596 /nfs/dbraw/zinc/69/55/96/1201695596.db2.gz QIGSOIUNUDWITB-QZTJIDSGSA-N 0 3 391.468 0.768 20 0 GCADHN NC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1Cl ZINC000735596318 1201695793 /nfs/dbraw/zinc/69/57/93/1201695793.db2.gz RGVQTWPFMBSMHH-NWDGAFQWSA-N 0 3 380.832 0.357 20 0 GCADHN CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000735597863 1201696155 /nfs/dbraw/zinc/69/61/55/1201696155.db2.gz ZXZMGVKUYNBVOZ-QWHCGFSZSA-N 0 3 394.859 0.618 20 0 GCADHN CNC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1Cl ZINC000735597734 1201696196 /nfs/dbraw/zinc/69/61/96/1201696196.db2.gz YCAOPHPMKJAKBB-QWHCGFSZSA-N 0 3 394.859 0.618 20 0 GCADHN Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cn1 ZINC000735597339 1201696264 /nfs/dbraw/zinc/69/62/64/1201696264.db2.gz WIGIEIRIKPIJTA-JKSUJKDBSA-N 0 3 384.440 0.494 20 0 GCADHN CNC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1Cl ZINC000735597735 1201696558 /nfs/dbraw/zinc/69/65/58/1201696558.db2.gz YCAOPHPMKJAKBB-STQMWFEESA-N 0 3 394.859 0.618 20 0 GCADHN CCn1ccnc1CN[C@@]12CC[C@@](NC(=O)CNS(C)(=O)=O)(C1)CCC2 ZINC001273326046 1201696932 /nfs/dbraw/zinc/69/69/32/1201696932.db2.gz VTCXRKYFXIQPDP-DLBZAZTESA-N 0 3 383.518 0.503 20 0 GCADHN O=S(=O)(c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)cc1)N1CCOCC1 ZINC000828388887 1201717014 /nfs/dbraw/zinc/71/70/14/1201717014.db2.gz AAYFOHNJZRCWHN-KRWDZBQOSA-N 0 3 395.525 0.866 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC000737092111 1201720513 /nfs/dbraw/zinc/72/05/13/1201720513.db2.gz UAOVHQPGFMZTGD-UHFFFAOYSA-N 0 3 396.875 0.819 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c1C ZINC000737137901 1201721328 /nfs/dbraw/zinc/72/13/28/1201721328.db2.gz DVFIHMKNLSHCIX-CYBMUJFWSA-N 0 3 396.513 0.880 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000738162023 1201734669 /nfs/dbraw/zinc/73/46/69/1201734669.db2.gz WKEGCKCNRKSCQY-UHFFFAOYSA-N 0 3 385.468 0.653 20 0 GCADHN CN(Cc1nccn1CC(F)(F)F)CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000738156303 1201734686 /nfs/dbraw/zinc/73/46/86/1201734686.db2.gz LSZMAAZHUPVKIK-UHFFFAOYSA-N 0 3 388.394 0.851 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 ZINC000738161749 1201735008 /nfs/dbraw/zinc/73/50/08/1201735008.db2.gz UFXZXQSXVNSVBT-GOSISDBHSA-N 0 3 380.514 0.066 20 0 GCADHN CN(CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O)[C@@H]1CCN(C)C1=O ZINC000738273582 1201736156 /nfs/dbraw/zinc/73/61/56/1201736156.db2.gz OERGNKKHGNYWJK-UTKZUKDTSA-N 0 3 399.495 0.693 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000740423964 1201747360 /nfs/dbraw/zinc/74/73/60/1201747360.db2.gz XLHXZINZKHQEGA-VDZJLULYSA-N 0 3 397.541 0.947 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NCCCN2CCN(C)CC2)ccc1F ZINC000740492128 1201747588 /nfs/dbraw/zinc/74/75/88/1201747588.db2.gz RXQJLYHUGXMZJC-UHFFFAOYSA-N 0 3 380.420 0.305 20 0 GCADHN Cc1ncc(CCNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)s1 ZINC000804260843 1201773316 /nfs/dbraw/zinc/77/33/16/1201773316.db2.gz LOFUJAKKNHGCMF-HNNXBMFYSA-N 0 3 395.529 0.169 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001066358326 1201774667 /nfs/dbraw/zinc/77/46/67/1201774667.db2.gz CUBYQNKUBZPYAE-LSTDLKDCSA-N 0 3 381.517 0.877 20 0 GCADHN CCCN(C)CC(=O)N1CCC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001066383207 1201789696 /nfs/dbraw/zinc/78/96/96/1201789696.db2.gz VKGOOASCCYLUOG-LSTDLKDCSA-N 0 3 381.517 0.877 20 0 GCADHN CCn1c(N2CCOCC2)nn(CN2CCN(CC(C)(C)O)CC2)c1=S ZINC000742151284 1201790662 /nfs/dbraw/zinc/79/06/62/1201790662.db2.gz RNGLSVNVSGNTJW-UHFFFAOYSA-N 0 3 384.550 0.617 20 0 GCADHN O=C(NC[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001086157601 1201808207 /nfs/dbraw/zinc/80/82/07/1201808207.db2.gz XDENWCODFOFCCM-FUAJKEFHSA-N 0 3 375.473 0.718 20 0 GCADHN C[C@H](CNC(=O)NC[C@@H](O)COc1cccc(F)c1)CN1CCN(C)CC1 ZINC000743119152 1201813041 /nfs/dbraw/zinc/81/30/41/1201813041.db2.gz WMIJVBNRMBFIBZ-NVXWUHKLSA-N 0 3 382.480 0.748 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743208604 1201814560 /nfs/dbraw/zinc/81/45/60/1201814560.db2.gz OTXFMDKYOXJIBU-UHFFFAOYSA-N 0 3 394.501 0.918 20 0 GCADHN Cc1nnc(-c2cccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)c2)o1 ZINC000743913997 1201826174 /nfs/dbraw/zinc/82/61/74/1201826174.db2.gz JNQMXFCYAKQKOL-JKSUJKDBSA-N 0 3 385.424 0.963 20 0 GCADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1 ZINC000743979426 1201831761 /nfs/dbraw/zinc/83/17/61/1201831761.db2.gz BFEJIDKPVBNUBH-AWEZNQCLSA-N 0 3 376.457 0.741 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1C(=O)OC ZINC000743978908 1201831891 /nfs/dbraw/zinc/83/18/91/1201831891.db2.gz BHJXMDPXJAZNSV-LBPRGKRZSA-N 0 3 391.424 0.799 20 0 GCADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1 ZINC000743979428 1201831956 /nfs/dbraw/zinc/83/19/56/1201831956.db2.gz BFEJIDKPVBNUBH-CQSZACIVSA-N 0 3 376.457 0.741 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c1C ZINC000743981530 1201832784 /nfs/dbraw/zinc/83/27/84/1201832784.db2.gz JPUCFBAUPGBFIS-LBPRGKRZSA-N 0 3 382.486 0.490 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000745470535 1201878616 /nfs/dbraw/zinc/87/86/16/1201878616.db2.gz UVYMSQILBQXSNM-INIZCTEOSA-N 0 3 386.504 0.735 20 0 GCADHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000745800673 1201890776 /nfs/dbraw/zinc/89/07/76/1201890776.db2.gz CQVFGARWVKXCIL-FCEWJHQRSA-N 0 3 399.495 0.987 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2nn(C)c(=O)c3ccccc32)CC1 ZINC000766335666 1201891454 /nfs/dbraw/zinc/89/14/54/1201891454.db2.gz LJNGTUJUAZFSBS-MRXNPFEDSA-N 0 3 383.452 0.312 20 0 GCADHN Cc1sc2ncn(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)c(=O)c2c1C ZINC000746106492 1201899906 /nfs/dbraw/zinc/89/99/06/1201899906.db2.gz MPEDMVUWAJWICU-GFCCVEGCSA-N 0 3 377.470 0.555 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1=O ZINC000746237962 1201904584 /nfs/dbraw/zinc/90/45/84/1201904584.db2.gz VDMCDFZELSOUEY-LSDHHAIUSA-N 0 3 382.505 0.912 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1=O ZINC000746253259 1201904858 /nfs/dbraw/zinc/90/48/58/1201904858.db2.gz JLLRVOCDALYUTK-VXGBXAGGSA-N 0 3 378.395 0.018 20 0 GCADHN CS(=O)(=O)CCn1ccc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000746291770 1201905826 /nfs/dbraw/zinc/90/58/26/1201905826.db2.gz DADJMPNXBUMSMU-GOSISDBHSA-N 0 3 392.481 0.503 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)CC1=O ZINC000746309170 1201906701 /nfs/dbraw/zinc/90/67/01/1201906701.db2.gz HVGYVXPIXHGEQY-ZDUSSCGKSA-N 0 3 392.422 0.314 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000766339997 1201907128 /nfs/dbraw/zinc/90/71/28/1201907128.db2.gz OENQPTXZZRTCBL-GOSISDBHSA-N 0 3 382.468 0.575 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000048842124 1201912266 /nfs/dbraw/zinc/91/22/66/1201912266.db2.gz CXUYXZPKAGHDSB-GOSISDBHSA-N 0 3 379.526 0.875 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000103123092 1201917600 /nfs/dbraw/zinc/91/76/00/1201917600.db2.gz YVGIKQWVBOEYHI-UHFFFAOYSA-N 0 3 383.452 0.163 20 0 GCADHN O=C(CCn1cnc2ccccc2c1=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103122894 1201917669 /nfs/dbraw/zinc/91/76/69/1201917669.db2.gz GJXNPFRUDZCMKO-UHFFFAOYSA-N 0 3 397.479 0.553 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccnn1Cc1ccccn1 ZINC000746407276 1201918979 /nfs/dbraw/zinc/91/89/79/1201918979.db2.gz QQAYNLKMQJTNLT-HOTGVXAUSA-N 0 3 384.440 0.244 20 0 GCADHN C[C@H](NCCC(=O)NC(=O)NCC(F)(F)F)c1cccc(S(N)(=O)=O)c1 ZINC001168785598 1201923966 /nfs/dbraw/zinc/92/39/66/1201923966.db2.gz OKQJLCVRXISIGT-VIFPVBQESA-N 0 3 396.391 0.763 20 0 GCADHN CN(CCCN1CCN(C)CC1)CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000746464730 1201925806 /nfs/dbraw/zinc/92/58/06/1201925806.db2.gz YEXCGXIYOAHLHB-UHFFFAOYSA-N 0 3 382.530 0.598 20 0 GCADHN COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NCCn1cnnc1 ZINC001168871845 1201927726 /nfs/dbraw/zinc/92/77/26/1201927726.db2.gz QQQFQTLSNLFUKH-AWEZNQCLSA-N 0 3 376.461 0.891 20 0 GCADHN COc1ccc(CN2CC[C@@H](N(C)CC(=O)N3CCOCC3)CC2=O)cc1 ZINC001168919597 1201928595 /nfs/dbraw/zinc/92/85/95/1201928595.db2.gz GGWVATGICGFWMU-QGZVFWFLSA-N 0 3 375.469 0.977 20 0 GCADHN CN(c1ncc(C(=O)Nc2nncs2)cc1Cl)S(=O)(=O)CCN ZINC001156239537 1201929911 /nfs/dbraw/zinc/92/99/11/1201929911.db2.gz UHBZRLPCLVDKSQ-UHFFFAOYSA-N 0 3 376.851 0.564 20 0 GCADHN CNC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC001169079329 1201932527 /nfs/dbraw/zinc/93/25/27/1201932527.db2.gz NCYHHKQJDQFHLO-INIZCTEOSA-N 0 3 375.473 0.855 20 0 GCADHN COC(=O)C1CN([C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC001169190077 1201934939 /nfs/dbraw/zinc/93/49/39/1201934939.db2.gz DHWKSBLWWCMGAG-GFCCVEGCSA-N 0 3 377.445 0.097 20 0 GCADHN COC(=O)C1CN([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC001169190078 1201935197 /nfs/dbraw/zinc/93/51/97/1201935197.db2.gz DHWKSBLWWCMGAG-LBPRGKRZSA-N 0 3 377.445 0.097 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCc2ncncc2C1 ZINC001169201534 1201936574 /nfs/dbraw/zinc/93/65/74/1201936574.db2.gz JGMYQTSGQFOQNP-CQSZACIVSA-N 0 3 397.483 0.841 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCC(=O)c1cccnc1 ZINC001169178568 1201937407 /nfs/dbraw/zinc/93/74/07/1201937407.db2.gz ZFZUPIFSEPJEIV-AWEZNQCLSA-N 0 3 398.467 0.860 20 0 GCADHN CC(C)S(=O)(=O)N[C@@H]1CCOC[C@H]1c1ccc(-n2nncc2CN)cc1 ZINC001169311247 1201942208 /nfs/dbraw/zinc/94/22/08/1201942208.db2.gz TXEWPQMDMJSWRS-DLBZAZTESA-N 0 3 379.486 0.926 20 0 GCADHN CCOC(=O)[C@H]1CC[C@@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CO1 ZINC001169388921 1201944870 /nfs/dbraw/zinc/94/48/70/1201944870.db2.gz QYMFFPVBZNTPDU-DISONHOPSA-N 0 3 396.484 0.293 20 0 GCADHN CCOC(=O)[C@H]1CC[C@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCCO3)C2)CO1 ZINC001169389443 1201944953 /nfs/dbraw/zinc/94/49/53/1201944953.db2.gz RWTTYMBONZDKHS-NNPSNHGLSA-N 0 3 396.484 0.988 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)CO1 ZINC001169397455 1201946137 /nfs/dbraw/zinc/94/61/37/1201946137.db2.gz NSCGZILTIREMPZ-BBWFWOEESA-N 0 3 390.484 0.969 20 0 GCADHN C[C@H](O)CN1CCN(C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)[C@@H](C)C1 ZINC001169536739 1201950582 /nfs/dbraw/zinc/95/05/82/1201950582.db2.gz CMVMKCPRGUJQPB-ZOBUZTSGSA-N 0 3 377.485 0.698 20 0 GCADHN COc1ccc(OC)c([C@H](O)CNC(=O)CN[C@H]2CCCN(C(C)=O)C2)c1 ZINC001169576763 1201951514 /nfs/dbraw/zinc/95/15/14/1201951514.db2.gz BOTCKESVBDXAFG-WMLDXEAASA-N 0 3 379.457 0.454 20 0 GCADHN CC(=O)N1CCC[C@@H](N2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)C1 ZINC001169606848 1201952099 /nfs/dbraw/zinc/95/20/99/1201952099.db2.gz XQZLRPZLNIICCW-ISARSNTHSA-N 0 3 387.484 0.697 20 0 GCADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@H]1CCCN(C(C)=O)C1)C(N)=O ZINC001169598836 1201952206 /nfs/dbraw/zinc/95/22/06/1201952206.db2.gz ZDVMIOAZPTYIEC-JYJNAYRXSA-N 0 3 386.562 0.725 20 0 GCADHN COC(=O)c1cc(N2CCCc3ccc(CN)nc32)nc(S(C)(=O)=O)n1 ZINC001169584158 1201952795 /nfs/dbraw/zinc/95/27/95/1201952795.db2.gz KMHAPMOTGYVTMY-UHFFFAOYSA-N 0 3 377.426 0.605 20 0 GCADHN CC(=O)N1CCC[C@@H](N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)C1 ZINC001169614810 1201953237 /nfs/dbraw/zinc/95/32/37/1201953237.db2.gz JRHAMFSIYRPMIA-XMTFNYHQSA-N 0 3 375.473 0.393 20 0 GCADHN CC(=O)N1CCC[C@H](N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)C1 ZINC001169616742 1201953450 /nfs/dbraw/zinc/95/34/50/1201953450.db2.gz YLHZKYCYELKVEU-MWDXBVQZSA-N 0 3 375.473 0.393 20 0 GCADHN COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NC[C@@H]1COCCN1C ZINC001169650947 1201953895 /nfs/dbraw/zinc/95/38/95/1201953895.db2.gz INCRAVCZHIHKLV-DOTOQJQBSA-N 0 3 394.516 0.930 20 0 GCADHN COC(=O)N1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000766892045 1201960303 /nfs/dbraw/zinc/96/03/03/1201960303.db2.gz GYWGLOQEBVSHJP-OAHLLOKOSA-N 0 3 381.477 0.165 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCOCC1)N1CCN(C2CCCCC2)CC1 ZINC000766914819 1201960824 /nfs/dbraw/zinc/96/08/24/1201960824.db2.gz YGRFZLKSKJZWET-UHFFFAOYSA-N 0 3 388.534 0.308 20 0 GCADHN COC(=O)N1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000766941408 1201962177 /nfs/dbraw/zinc/96/21/77/1201962177.db2.gz VCVBOXXEORLYJE-HUUCEWRRSA-N 0 3 381.477 0.165 20 0 GCADHN C[C@@H]1CN(C(=O)CN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)CCO1 ZINC000767154625 1201967334 /nfs/dbraw/zinc/96/73/34/1201967334.db2.gz SUEOYQXZBONMLG-QRWLVFNGSA-N 0 3 386.452 0.430 20 0 GCADHN COc1ccc(OCCCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(N)=O)C3)cc1 ZINC001108906834 1201980496 /nfs/dbraw/zinc/98/04/96/1201980496.db2.gz UZOAQNLHHWBLPI-COXVUDFISA-N 0 3 376.457 0.854 20 0 GCADHN CC(C)C(=O)NCCN(C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000767775236 1201987027 /nfs/dbraw/zinc/98/70/27/1201987027.db2.gz MRFQEMZYYPCORB-UHFFFAOYSA-N 0 3 381.477 0.366 20 0 GCADHN COC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccco1 ZINC001108996292 1201988342 /nfs/dbraw/zinc/98/83/42/1201988342.db2.gz OVLMURBYNOPULB-VDERGJSUSA-N 0 3 381.429 0.235 20 0 GCADHN CCOC1CC(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)(N2CCOCC2)C1 ZINC000767802681 1201988758 /nfs/dbraw/zinc/98/87/58/1201988758.db2.gz XJFJFUIDHFSQSB-FFEBTUMSSA-N 0 3 396.532 0.419 20 0 GCADHN CCC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cc1ccc(F)cc1 ZINC001109082028 1201993800 /nfs/dbraw/zinc/99/38/00/1201993800.db2.gz MCBUSIPCVOSDAN-OWSLCNJRSA-N 0 3 377.460 0.977 20 0 GCADHN O=C(Cc1ccon1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001109098729 1201993905 /nfs/dbraw/zinc/99/39/05/1201993905.db2.gz HNXZHTZVNFQCBH-FZCLSBEQSA-N 0 3 379.457 0.495 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1C)C2 ZINC001109096709 1201993929 /nfs/dbraw/zinc/99/39/29/1201993929.db2.gz DFUNWBFGSZBPFI-WCVJEAGWSA-N 0 3 377.489 0.903 20 0 GCADHN O=C(Cc1cc[nH]n1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001109104764 1201994795 /nfs/dbraw/zinc/99/47/95/1201994795.db2.gz NCKSVTZGVLFIKP-RFGFWPKPSA-N 0 3 376.379 0.614 20 0 GCADHN CCS(=O)(=O)NCCN[C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768204120 1202005814 /nfs/dbraw/zinc/00/58/14/1202005814.db2.gz YCZRDIGTZMZBGJ-DOTOQJQBSA-N 0 3 399.513 0.941 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CCCC2(C1)OCCO2 ZINC000768320741 1202009853 /nfs/dbraw/zinc/00/98/53/1202009853.db2.gz OIYADGZCJGRNMP-JKSUJKDBSA-N 0 3 382.505 0.914 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCCC2(C1)OCCO2 ZINC000768320737 1202010009 /nfs/dbraw/zinc/01/00/09/1202010009.db2.gz OIYADGZCJGRNMP-CVEARBPZSA-N 0 3 382.505 0.914 20 0 GCADHN COCCOc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)COC)ccn1 ZINC001109273136 1202010976 /nfs/dbraw/zinc/01/09/76/1202010976.db2.gz XYBHOCRAXSOHRA-QZWWFDLISA-N 0 3 379.457 0.449 20 0 GCADHN CS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH]ncc31)C2 ZINC001109289842 1202013132 /nfs/dbraw/zinc/01/31/32/1202013132.db2.gz OOFRIICWADNJDF-KNPMLCFXSA-N 0 3 381.502 0.100 20 0 GCADHN CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCCC1)C2 ZINC001109289971 1202014112 /nfs/dbraw/zinc/01/41/12/1202014112.db2.gz SUKKXPCZADHGBU-ILXRZTDVSA-N 0 3 379.505 0.428 20 0 GCADHN CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCS(C)(=O)=O ZINC001109360758 1202024866 /nfs/dbraw/zinc/02/48/66/1202024866.db2.gz DHHPNQNJOUPJMF-WCVJEAGWSA-N 0 3 377.526 0.823 20 0 GCADHN CCn1cc(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN(C)C(=O)COC)C3)cn1 ZINC001109368176 1202028030 /nfs/dbraw/zinc/02/80/30/1202028030.db2.gz HIJBKPNGOMCYFW-IKGGRYGDSA-N 0 3 377.489 0.272 20 0 GCADHN O=C(CCn1ccccc1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCc2ncnn21 ZINC001109372553 1202032089 /nfs/dbraw/zinc/03/20/89/1202032089.db2.gz DKRGSUKJXBSBBI-NCOADZHNSA-N 0 3 382.468 0.739 20 0 GCADHN CN(C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC[C@@H]2CCOC2)CCC1 ZINC001109400677 1202038363 /nfs/dbraw/zinc/03/83/63/1202038363.db2.gz QESUWMYDEHPSEU-YVSFHVDLSA-N 0 3 378.517 0.345 20 0 GCADHN CCCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N(C)C)C2 ZINC001109401720 1202038574 /nfs/dbraw/zinc/03/85/74/1202038574.db2.gz CZTOFEXMFQZVKK-AESZEHBQSA-N 0 3 379.505 0.284 20 0 GCADHN CN(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(F)(F)F)C1CC1 ZINC001109401634 1202038594 /nfs/dbraw/zinc/03/85/94/1202038594.db2.gz BVKUVYWMTSAEFB-UKTARXLSSA-N 0 3 376.423 0.727 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)OCC(=O)N3)C2 ZINC001109404915 1202038949 /nfs/dbraw/zinc/03/89/49/1202038949.db2.gz RFPZAPVYVACVJX-VRKREXBASA-N 0 3 375.425 0.360 20 0 GCADHN CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(N(C)C)CCC1)C2 ZINC001109402437 1202039148 /nfs/dbraw/zinc/03/91/48/1202039148.db2.gz QNRAASWGGVOLER-XGUBFFRZSA-N 0 3 379.505 0.426 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC(F)(F)F)c1)C2 ZINC001109407387 1202039211 /nfs/dbraw/zinc/03/92/11/1202039211.db2.gz VJUWLGWXYDUXBH-RFGFWPKPSA-N 0 3 376.379 0.788 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnccc1C)C2 ZINC001109414809 1202042700 /nfs/dbraw/zinc/04/27/00/1202042700.db2.gz MHUMCSVRAAIHDV-YRXWBPOGSA-N 0 3 377.485 0.678 20 0 GCADHN CC[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCN2CCCC2=O)CCNC1=O ZINC001109422120 1202045871 /nfs/dbraw/zinc/04/58/71/1202045871.db2.gz YYQJMAKIAFXREY-NARAOEGZSA-N 0 3 376.501 0.637 20 0 GCADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(F)(F)F)N(C)C ZINC001109427071 1202046362 /nfs/dbraw/zinc/04/63/62/1202046362.db2.gz MOEOCGYMMBXRLK-OSFYFWSMSA-N 0 3 378.439 0.973 20 0 GCADHN CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)Nc1nnc(C)s1)N(C)C ZINC001109446488 1202053001 /nfs/dbraw/zinc/05/30/01/1202053001.db2.gz RHQSWKNDLPIQDM-RQJABVFESA-N 0 3 380.518 0.847 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1ccc(OC)nc1)C2 ZINC001109447613 1202053523 /nfs/dbraw/zinc/05/35/23/1202053523.db2.gz WPYGWIDLIWZOKQ-QZWWFDLISA-N 0 3 379.457 0.336 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C)c(=O)c1)C2 ZINC001109454951 1202055015 /nfs/dbraw/zinc/05/50/15/1202055015.db2.gz AGUQBIHCINDPMQ-BDXSIMOUSA-N 0 3 377.485 0.754 20 0 GCADHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCO[C@@H](C)C1 ZINC001109464374 1202057122 /nfs/dbraw/zinc/05/71/22/1202057122.db2.gz XVCHYQQWCXXNKQ-YVSFHVDLSA-N 0 3 380.533 0.686 20 0 GCADHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCOCC1 ZINC001109466213 1202057183 /nfs/dbraw/zinc/05/71/83/1202057183.db2.gz PJURKPOUHWLOBC-IKGGRYGDSA-N 0 3 380.533 0.733 20 0 GCADHN O=C(NCC(F)F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO[C@@H]1CCOC1 ZINC001109476490 1202059421 /nfs/dbraw/zinc/05/94/21/1202059421.db2.gz VNWGLFRYIBXVKX-MQYQWHSLSA-N 0 3 375.416 0.285 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCOc1ccccc1)C2 ZINC001109478196 1202059937 /nfs/dbraw/zinc/05/99/37/1202059937.db2.gz CPAHLNCAHCFUDJ-FPAYPSAMSA-N 0 3 378.469 0.811 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCOc1ccccc1)C2 ZINC001109478197 1202060291 /nfs/dbraw/zinc/06/02/91/1202060291.db2.gz CPAHLNCAHCFUDJ-NEPXVJNWSA-N 0 3 378.469 0.811 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1cccc(OC)c1)C2 ZINC001109481386 1202060620 /nfs/dbraw/zinc/06/06/20/1202060620.db2.gz CVOIJQKCNPOLIU-FPAYPSAMSA-N 0 3 378.469 0.941 20 0 GCADHN CC(C)NC(=O)CN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCCO1 ZINC001109486041 1202062021 /nfs/dbraw/zinc/06/20/21/1202062021.db2.gz DFQYNWPUVGRZKS-BDXSIMOUSA-N 0 3 380.533 0.733 20 0 GCADHN NC(=O)NCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCc2ncnn21 ZINC001109498040 1202065449 /nfs/dbraw/zinc/06/54/49/1202065449.db2.gz URCLRDWFZNJWLH-QPSCCSFWSA-N 0 3 375.477 0.326 20 0 GCADHN NC(=O)NCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001109495680 1202066039 /nfs/dbraw/zinc/06/60/39/1202066039.db2.gz HRVONIWGSBPNSK-PMPSAXMXSA-N 0 3 379.505 0.559 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)CC1 ZINC000770108500 1202085562 /nfs/dbraw/zinc/08/55/62/1202085562.db2.gz AFTXDAQFSPKBKC-HNNXBMFYSA-N 0 3 391.534 0.483 20 0 GCADHN COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C2 ZINC001109587719 1202086156 /nfs/dbraw/zinc/08/61/56/1202086156.db2.gz WLJDBCKTQCNCFG-QPSCCSFWSA-N 0 3 378.473 0.956 20 0 GCADHN COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C2 ZINC001109587719 1202086161 /nfs/dbraw/zinc/08/61/61/1202086161.db2.gz WLJDBCKTQCNCFG-QPSCCSFWSA-N 0 3 378.473 0.956 20 0 GCADHN CNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001109590034 1202087117 /nfs/dbraw/zinc/08/71/17/1202087117.db2.gz PDOCLWLEKJEYTF-XGUBFFRZSA-N 0 3 379.505 0.426 20 0 GCADHN CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001109590149 1202087130 /nfs/dbraw/zinc/08/71/30/1202087130.db2.gz UZQOXWQAJWSWDY-ILXRZTDVSA-N 0 3 379.505 0.428 20 0 GCADHN NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)OCCN3CCCCC3)CC2=O)c1 ZINC000770372333 1202095000 /nfs/dbraw/zinc/09/50/00/1202095000.db2.gz DJGFMXRHMMEKTG-AWEZNQCLSA-N 0 3 395.481 0.716 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCN(CC(F)F)CC1)C2 ZINC001109645007 1202097027 /nfs/dbraw/zinc/09/70/27/1202097027.db2.gz MADDIFIPGTVUMZ-UGUYLWEFSA-N 0 3 375.460 0.692 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cnn(C)c1)C2 ZINC001109647666 1202097675 /nfs/dbraw/zinc/09/76/75/1202097675.db2.gz VZSJQCJHSPQITD-FZCLSBEQSA-N 0 3 380.489 0.554 20 0 GCADHN CCOC(=O)N1CC[C@H](NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000770433265 1202098518 /nfs/dbraw/zinc/09/85/18/1202098518.db2.gz PNZHXZLXDYJLSK-LSDHHAIUSA-N 0 3 383.493 0.459 20 0 GCADHN CN1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCNC(=O)NC(C)(C)C)=NC1=O ZINC001109672873 1202103256 /nfs/dbraw/zinc/10/32/56/1202103256.db2.gz XAMIISLCFUXZCJ-DYEKYZERSA-N 0 3 378.477 0.559 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000770590372 1202104264 /nfs/dbraw/zinc/10/42/64/1202104264.db2.gz MNWRXTBDUMWZJI-FGTMMUONSA-N 0 3 392.548 0.901 20 0 GCADHN CC(C)NC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001109688619 1202104657 /nfs/dbraw/zinc/10/46/57/1202104657.db2.gz YMVXOKHTIAMMBI-AAXDQBDMSA-N 0 3 380.424 0.507 20 0 GCADHN CC(C)NC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001109688620 1202104752 /nfs/dbraw/zinc/10/47/52/1202104752.db2.gz YMVXOKHTIAMMBI-LFSVMHDDSA-N 0 3 380.424 0.507 20 0 GCADHN C[C@H](C(=O)NC(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001109688559 1202104818 /nfs/dbraw/zinc/10/48/18/1202104818.db2.gz VTXUMLITGDSAJP-JBYGLJPXSA-N 0 3 378.408 0.261 20 0 GCADHN CC(C)OCCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001109688557 1202104839 /nfs/dbraw/zinc/10/48/39/1202104839.db2.gz VPFCYYITKVMQTR-SNPRPXQTSA-N 0 3 381.452 0.815 20 0 GCADHN CS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH]cnc31)C2 ZINC001109705083 1202106577 /nfs/dbraw/zinc/10/65/77/1202106577.db2.gz PWLOFLKFXLWJFL-UXOAXIEHSA-N 0 3 381.502 0.100 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CCC1=O)CC(C)(C)C ZINC001109728864 1202113307 /nfs/dbraw/zinc/11/33/07/1202113307.db2.gz HPVRPFQJLUCTBK-PMPSAXMXSA-N 0 3 378.517 0.835 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c(N(C)C)n1 ZINC000770803012 1202114081 /nfs/dbraw/zinc/11/40/81/1202114081.db2.gz SJEJYRFTVLCNBP-OAHLLOKOSA-N 0 3 376.505 0.537 20 0 GCADHN COC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000770800452 1202114089 /nfs/dbraw/zinc/11/40/89/1202114089.db2.gz JLXIAXBHSYIAHT-CQSZACIVSA-N 0 3 391.472 0.946 20 0 GCADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC(C)(C)C)N(C)C ZINC001109733041 1202114803 /nfs/dbraw/zinc/11/48/03/1202114803.db2.gz DTPFBPQXOAARDC-QPSCCSFWSA-N 0 3 381.521 0.672 20 0 GCADHN O=C(CCc1cnn[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CCS(=O)(=O)CC1 ZINC001109740695 1202115937 /nfs/dbraw/zinc/11/59/37/1202115937.db2.gz ZBLISIGYQYBLLJ-PMPSAXMXSA-N 0 3 381.502 0.284 20 0 GCADHN Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C3)c1 ZINC001109771200 1202120788 /nfs/dbraw/zinc/12/07/88/1202120788.db2.gz RCLHLZQPQHNISJ-IKGGRYGDSA-N 0 3 380.514 0.613 20 0 GCADHN Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C2 ZINC001109772875 1202120851 /nfs/dbraw/zinc/12/08/51/1202120851.db2.gz WOEUAPCHUQNUCU-IKGGRYGDSA-N 0 3 380.514 0.613 20 0 GCADHN O=C(COC1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001109788189 1202123463 /nfs/dbraw/zinc/12/34/63/1202123463.db2.gz BHNWCWIRMOHKND-LMSBXDPUSA-N 0 3 378.473 0.161 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cn1 ZINC000771113560 1202125628 /nfs/dbraw/zinc/12/56/28/1202125628.db2.gz FCQHLYWCVKNPNS-MRXNPFEDSA-N 0 3 396.513 0.705 20 0 GCADHN CN(C)C(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001109812604 1202128677 /nfs/dbraw/zinc/12/86/77/1202128677.db2.gz GPLAHMBFFBHSMT-VOAKCMCISA-N 0 3 381.395 0.126 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1C1CCOCC1)C2 ZINC001109825191 1202129625 /nfs/dbraw/zinc/12/96/25/1202129625.db2.gz ZDTYBZXLUBWFQQ-NCOADZHNSA-N 0 3 378.473 0.577 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001109825148 1202129875 /nfs/dbraw/zinc/12/98/75/1202129875.db2.gz XRZIPGUQXSVYGN-ZSGPHXLJSA-N 0 3 377.489 0.463 20 0 GCADHN Cc1nc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCCN2CCOCC2)C3)n[nH]1 ZINC001109843461 1202133976 /nfs/dbraw/zinc/13/39/76/1202133976.db2.gz LFUZGEWOULYFCO-IKGGRYGDSA-N 0 3 376.505 0.837 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cccnc1)C2 ZINC001109850874 1202136174 /nfs/dbraw/zinc/13/61/74/1202136174.db2.gz UOASZWOCYBJPMM-LMSBXDPUSA-N 0 3 379.457 0.206 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000771343140 1202137205 /nfs/dbraw/zinc/13/72/05/1202137205.db2.gz SRTLLHMVNGJEGP-MRXNPFEDSA-N 0 3 384.521 0.624 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@@H](N[C@H]2CNC(=O)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170025308 1202137824 /nfs/dbraw/zinc/13/78/24/1202137824.db2.gz HSOFDBZSPDFTOK-AGIUHOORSA-N 0 3 384.502 0.375 20 0 GCADHN O=C(Cc1ncc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001109882789 1202141576 /nfs/dbraw/zinc/14/15/76/1202141576.db2.gz PXBSBWOQKVXFKL-VOAKCMCISA-N 0 3 376.379 0.614 20 0 GCADHN COCCCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCc2ncnn21 ZINC001109948429 1202156359 /nfs/dbraw/zinc/15/63/59/1202156359.db2.gz QQVOGJPRHVEXQF-QZWWFDLISA-N 0 3 377.489 0.930 20 0 GCADHN CC(C)CN(C(=O)CN[C@H](CO)C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000771800978 1202160435 /nfs/dbraw/zinc/16/04/35/1202160435.db2.gz HNUHQKQCOBMBNZ-CQSZACIVSA-N 0 3 395.504 0.537 20 0 GCADHN CNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001109977752 1202165446 /nfs/dbraw/zinc/16/54/46/1202165446.db2.gz XXKDZRICPRAJMZ-RNJOBUHISA-N 0 3 376.461 0.253 20 0 GCADHN CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC(=O)N(C)C1=O)C2 ZINC001109971900 1202166851 /nfs/dbraw/zinc/16/68/51/1202166851.db2.gz OVPILVOMDRUTDU-PMPSAXMXSA-N 0 3 380.489 0.665 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C(=O)N(C)C)C2 ZINC001109988003 1202167763 /nfs/dbraw/zinc/16/77/63/1202167763.db2.gz SNRMOJZRNFSVSF-BODMPHMZSA-N 0 3 375.469 0.731 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NCCCOCC ZINC001110021889 1202175724 /nfs/dbraw/zinc/17/57/24/1202175724.db2.gz MAHKTIKINIDFAE-MHORFTMASA-N 0 3 382.549 0.981 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccsc1 ZINC000787652303 1205397423 /nfs/dbraw/zinc/39/74/23/1205397423.db2.gz ILCKNDGIQKJHRY-ARFHVFGLSA-N 0 3 380.514 0.446 20 0 GCADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000787664007 1205398248 /nfs/dbraw/zinc/39/82/48/1205398248.db2.gz LWFKTJRTADNZLN-INIZCTEOSA-N 0 3 382.505 0.771 20 0 GCADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000787664008 1205398347 /nfs/dbraw/zinc/39/83/47/1205398347.db2.gz LWFKTJRTADNZLN-MRXNPFEDSA-N 0 3 382.505 0.771 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000787751236 1205399714 /nfs/dbraw/zinc/39/97/14/1205399714.db2.gz LNXJCTANWCPUJN-OLZOCXBDSA-N 0 3 392.422 0.599 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCCCCN1CCN(C)CC1)CC1(C)OCCO1 ZINC000787903993 1205406313 /nfs/dbraw/zinc/40/63/13/1205406313.db2.gz PQWVVFJVXQBYLW-MRXNPFEDSA-N 0 3 384.521 0.036 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC1 ZINC000787903461 1205406358 /nfs/dbraw/zinc/40/63/58/1205406358.db2.gz LPRHHRRYONPOKW-NRFANRHFSA-N 0 3 390.528 0.544 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H](C)O[C@@H](CO)C3)cc2)CC1 ZINC000787910039 1205407109 /nfs/dbraw/zinc/40/71/09/1205407109.db2.gz UXZXDHQQQQWSDH-CRAIPNDOSA-N 0 3 390.484 0.375 20 0 GCADHN C[C@@H](Cc1ccco1)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000787959586 1205409803 /nfs/dbraw/zinc/40/98/03/1205409803.db2.gz GGACJHSUHUOUNH-HOCLYGCPSA-N 0 3 378.473 0.386 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000787992412 1205410602 /nfs/dbraw/zinc/41/06/02/1205410602.db2.gz LSBNDWRJNUATTE-SJLPKXTDSA-N 0 3 391.468 0.307 20 0 GCADHN CC(C)Oc1ncccc1CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000787989816 1205410718 /nfs/dbraw/zinc/41/07/18/1205410718.db2.gz RIIFWQCMRIAYPD-CVEARBPZSA-N 0 3 376.457 0.464 20 0 GCADHN CC(C)(C)OC(=O)NC1(CO)CCN(C[C@H](O)COC2CCOCC2)CC1 ZINC000788002303 1205410982 /nfs/dbraw/zinc/41/09/82/1205410982.db2.gz AVAWVECRTSIBSL-HNNXBMFYSA-N 0 3 388.505 0.895 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CCSC1 ZINC000788241221 1205417130 /nfs/dbraw/zinc/41/71/30/1205417130.db2.gz CWLQANMEHLTZJH-RHSMWYFYSA-N 0 3 385.530 0.732 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000788244309 1205417373 /nfs/dbraw/zinc/41/73/73/1205417373.db2.gz NOJBUQQHTAJGMM-QGZVFWFLSA-N 0 3 386.518 0.277 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H](c3nccn3C)C2)CCSC1 ZINC000788245364 1205417470 /nfs/dbraw/zinc/41/74/70/1205417470.db2.gz PSWMOPSNLYYODB-KSSFIOAISA-N 0 3 379.530 0.680 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)CCSC1 ZINC000788245377 1205417482 /nfs/dbraw/zinc/41/74/82/1205417482.db2.gz PTRGFIFQZSFAQQ-KRWDZBQOSA-N 0 3 388.534 0.523 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H](c3nccn3C)C2)CCSC1 ZINC000788245359 1205417522 /nfs/dbraw/zinc/41/75/22/1205417522.db2.gz PSWMOPSNLYYODB-KDOFPFPSSA-N 0 3 379.530 0.680 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCSC(C)(C)C ZINC000788381651 1205421361 /nfs/dbraw/zinc/42/13/61/1205421361.db2.gz YCOBZDHBZRZFFK-AWEZNQCLSA-N 0 3 386.562 0.693 20 0 GCADHN O=C(NCCCc1nc2ccccc2[nH]1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000788458789 1205423124 /nfs/dbraw/zinc/42/31/24/1205423124.db2.gz HMEAEQVNHNSVMP-CABCVRRESA-N 0 3 385.468 0.591 20 0 GCADHN NC(=NOC[C@H]1CCS(=O)(=O)C1)c1ccccc1CN1CCC(O)CC1 ZINC000788501148 1205424354 /nfs/dbraw/zinc/42/43/54/1205424354.db2.gz AQPPWEMVZNUCGZ-CQSZACIVSA-N 0 3 381.498 0.925 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCSC(F)(F)F ZINC000788557343 1205425141 /nfs/dbraw/zinc/42/51/41/1205425141.db2.gz LQZYXYARZRPCRB-NSHDSACASA-N 0 3 398.451 0.415 20 0 GCADHN COc1ccc(CCS(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000788612876 1205426889 /nfs/dbraw/zinc/42/68/89/1205426889.db2.gz KQYJKYLAXQMSQM-MRXNPFEDSA-N 0 3 383.514 0.745 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)N1CCCCC1 ZINC000788786074 1205430640 /nfs/dbraw/zinc/43/06/40/1205430640.db2.gz VRIITNMSUXZQRC-UONOGXRCSA-N 0 3 378.439 0.977 20 0 GCADHN CNCc1cc(NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)ncn1 ZINC001170106724 1205440202 /nfs/dbraw/zinc/44/02/02/1205440202.db2.gz FHBRTRZVRMYBIG-UHFFFAOYSA-N 0 3 390.513 0.614 20 0 GCADHN O=C(NCc1cccc(N2CCOC2=O)c1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000789542339 1205442391 /nfs/dbraw/zinc/44/23/91/1205442391.db2.gz SCUCWLXXERWQRH-QGZVFWFLSA-N 0 3 386.452 0.956 20 0 GCADHN COCC(C)(C)NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000772740001 1205443030 /nfs/dbraw/zinc/44/30/30/1205443030.db2.gz GXKNBVFQNJKKKQ-IBGZPJMESA-N 0 3 376.457 0.976 20 0 GCADHN CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000789618837 1205444072 /nfs/dbraw/zinc/44/40/72/1205444072.db2.gz KGNQGQOMWJZQHG-HNNXBMFYSA-N 0 3 389.500 0.750 20 0 GCADHN CCOC(=O)N[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)CC(C)C ZINC000789937643 1205452415 /nfs/dbraw/zinc/45/24/15/1205452415.db2.gz XNCQQGPEJRAMST-JYJNAYRXSA-N 0 3 398.504 0.243 20 0 GCADHN CS(=O)(=O)N1CCN(c2cccc(NC3CN(c4ncccn4)C3)n2)CC1 ZINC001170126580 1205455015 /nfs/dbraw/zinc/45/50/15/1205455015.db2.gz CJINFWFDLFYANF-UHFFFAOYSA-N 0 3 389.485 0.254 20 0 GCADHN CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000790193937 1205458344 /nfs/dbraw/zinc/45/83/44/1205458344.db2.gz DJVFFOWVSOUBHL-KRWDZBQOSA-N 0 3 389.544 0.759 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCc2cnc(C)s2)CC1 ZINC000790192084 1205458420 /nfs/dbraw/zinc/45/84/20/1205458420.db2.gz RCMGGDLYWUTOJW-CQSZACIVSA-N 0 3 381.546 0.500 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000790208459 1205458871 /nfs/dbraw/zinc/45/88/71/1205458871.db2.gz ISFDIJDVNNESOM-SJORKVTESA-N 0 3 396.532 0.178 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1)CN1CCN(C)CC1 ZINC000790194931 1205458881 /nfs/dbraw/zinc/45/88/81/1205458881.db2.gz KNLLQBFVAIJOMU-DLBZAZTESA-N 0 3 396.532 0.178 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCc2ccccc2OC1)CN1CCN(C)CC1 ZINC000790193980 1205458903 /nfs/dbraw/zinc/45/89/03/1205458903.db2.gz FEUGBLUGOJIFBH-WMZOPIPTSA-N 0 3 388.512 0.496 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC(c3cn[nH]c3)CC2)CC1 ZINC000790209107 1205458914 /nfs/dbraw/zinc/45/89/14/1205458914.db2.gz LEKVDMRURWORKA-INIZCTEOSA-N 0 3 390.532 0.506 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)CC2(C)OCCO2)CC1 ZINC000790207640 1205458964 /nfs/dbraw/zinc/45/89/64/1205458964.db2.gz BPJNVSDCZPHEGI-DLBZAZTESA-N 0 3 398.548 0.282 20 0 GCADHN Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000790183647 1205459504 /nfs/dbraw/zinc/45/95/04/1205459504.db2.gz GQSGZPZZMOMJKP-ROUUACIJSA-N 0 3 390.528 0.878 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790298139 1205462005 /nfs/dbraw/zinc/46/20/05/1205462005.db2.gz XAVDWHMUCHDICA-UHFFFAOYSA-N 0 3 399.536 0.065 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000790483042 1205465585 /nfs/dbraw/zinc/46/55/85/1205465585.db2.gz PZCYDAMRLAGEGK-LSDHHAIUSA-N 0 3 380.489 0.713 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000792378569 1205487314 /nfs/dbraw/zinc/48/73/14/1205487314.db2.gz WQBGDIGRJWQSFK-CQSZACIVSA-N 0 3 388.390 0.806 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000793675404 1205502409 /nfs/dbraw/zinc/50/24/09/1205502409.db2.gz OGSXXADIYULAKG-QDIHITRGSA-N 0 3 381.473 0.204 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1)N1CCCCC1 ZINC000793709716 1205503003 /nfs/dbraw/zinc/50/30/03/1205503003.db2.gz PNEZAELMKSGHHG-MRXNPFEDSA-N 0 3 389.500 0.189 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)NC[C@@H](C)N3CCCCC3)CC2)n1 ZINC000793714374 1205503215 /nfs/dbraw/zinc/50/32/15/1205503215.db2.gz QTOMDBZXFHXOOU-CQSZACIVSA-N 0 3 394.545 0.740 20 0 GCADHN COc1cc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)ccc1OCCO ZINC000793719003 1205503465 /nfs/dbraw/zinc/50/34/65/1205503465.db2.gz OJPJPPBACYDHQM-HNNXBMFYSA-N 0 3 393.484 0.673 20 0 GCADHN O=C(NCCCOCCc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793715945 1205503582 /nfs/dbraw/zinc/50/35/82/1205503582.db2.gz BDMLSWTXQGODNI-MOPGFXCFSA-N 0 3 389.496 0.731 20 0 GCADHN C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1)N1CCCCC1 ZINC000793725139 1205503810 /nfs/dbraw/zinc/50/38/10/1205503810.db2.gz PUGZLFWMRFWAQS-QGZVFWFLSA-N 0 3 382.549 0.794 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1)N1CCCCC1 ZINC000793695453 1205504001 /nfs/dbraw/zinc/50/40/01/1205504001.db2.gz DDSSYEJDLFWAGE-CQSZACIVSA-N 0 3 376.457 0.158 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@@H](C)N3CCCCC3)CC2)n1 ZINC000793694879 1205504031 /nfs/dbraw/zinc/50/40/31/1205504031.db2.gz CJKJVUWGUIDADB-QGZVFWFLSA-N 0 3 388.516 0.733 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)N1CCCCC1 ZINC000793701306 1205504237 /nfs/dbraw/zinc/50/42/37/1205504237.db2.gz PJRPWADIEROVCW-LSDHHAIUSA-N 0 3 390.488 0.022 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCCCC1 ZINC000793697597 1205504280 /nfs/dbraw/zinc/50/42/80/1205504280.db2.gz CEZXYZDNUCESDO-OAHLLOKOSA-N 0 3 376.457 0.555 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)NC[C@H](C)N3CCCCC3)CC2)n1 ZINC000793699997 1205504292 /nfs/dbraw/zinc/50/42/92/1205504292.db2.gz OBDBAFSKTJTWOS-AWEZNQCLSA-N 0 3 394.545 0.876 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC([C@H](O)c2nccn2C)CC1)N1CCCCC1 ZINC000793707262 1205504501 /nfs/dbraw/zinc/50/45/01/1205504501.db2.gz GHIPCGHFEJKLAH-WBVHZDCISA-N 0 3 391.516 0.683 20 0 GCADHN CN(CCCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000793844917 1205506991 /nfs/dbraw/zinc/50/69/91/1205506991.db2.gz OGMNZUATULLRHS-MOPGFXCFSA-N 0 3 388.512 0.999 20 0 GCADHN O=C(NCc1cccc(Cn2cccn2)c1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793809669 1205507276 /nfs/dbraw/zinc/50/72/76/1205507276.db2.gz GALULWFFNDCKIB-MOPGFXCFSA-N 0 3 397.479 0.527 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N(CCO)Cc2cccnc2Cl)CC1 ZINC000793817290 1205507500 /nfs/dbraw/zinc/50/75/00/1205507500.db2.gz PCVUAWVUNPHAKX-UHFFFAOYSA-N 0 3 398.891 0.283 20 0 GCADHN CN(CCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1F ZINC000793828722 1205507895 /nfs/dbraw/zinc/50/78/95/1205507895.db2.gz RHUPJAPSGSMKMB-HOTGVXAUSA-N 0 3 392.475 0.748 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c(OC)c1 ZINC000793865434 1205508142 /nfs/dbraw/zinc/50/81/42/1205508142.db2.gz SPAVMYFINBGJAM-RDJZCZTQSA-N 0 3 391.468 0.342 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000793934731 1205510031 /nfs/dbraw/zinc/51/00/31/1205510031.db2.gz CCCPXYNFXVMARW-HIFRSBDPSA-N 0 3 382.505 0.959 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)COCc1ccccc1 ZINC000793954551 1205510560 /nfs/dbraw/zinc/51/05/60/1205510560.db2.gz HVGDWUDPMMTRCA-NEWSRXKRSA-N 0 3 389.496 0.935 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000804424200 1205515463 /nfs/dbraw/zinc/51/54/63/1205515463.db2.gz HDLUJGFMEGARPQ-CHWSQXEVSA-N 0 3 392.422 0.599 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000804416491 1205515862 /nfs/dbraw/zinc/51/58/62/1205515862.db2.gz RVVIJVYPNHCIMV-KSZLIROESA-N 0 3 391.516 0.825 20 0 GCADHN Cc1c(C(=O)Nc2cn(C)nc2C(N)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC001129699348 1205518941 /nfs/dbraw/zinc/51/89/41/1205518941.db2.gz AMWFRUSSRXDKRM-UHFFFAOYSA-N 0 3 394.439 0.648 20 0 GCADHN CCCCOCCN[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129850072 1205520925 /nfs/dbraw/zinc/52/09/25/1205520925.db2.gz PPJNNCPFLNWKDP-VQHPVUNQSA-N 0 3 392.504 0.351 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000804750244 1205523167 /nfs/dbraw/zinc/52/31/67/1205523167.db2.gz LDNOHTBBVHRKRI-OAHLLOKOSA-N 0 3 398.504 0.291 20 0 GCADHN CN(CCN(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(=O)OC(C)(C)C ZINC000804732438 1205524165 /nfs/dbraw/zinc/52/41/65/1205524165.db2.gz NYICBFKCVPSWHP-HNNXBMFYSA-N 0 3 382.505 0.912 20 0 GCADHN CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804732862 1205524428 /nfs/dbraw/zinc/52/44/28/1205524428.db2.gz ZHJPLQZAMRIXQQ-HNNXBMFYSA-N 0 3 380.489 0.570 20 0 GCADHN CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000804732881 1205524447 /nfs/dbraw/zinc/52/44/47/1205524447.db2.gz ZPFIQLPVLBQWTN-YOEHRIQHSA-N 0 3 394.516 0.960 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000804734152 1205524516 /nfs/dbraw/zinc/52/45/16/1205524516.db2.gz XLPPWUMLGGLELQ-IDYZSHNDSA-N 0 3 386.496 0.929 20 0 GCADHN CN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000804732781 1205524524 /nfs/dbraw/zinc/52/45/24/1205524524.db2.gz ZAZPMKLGZPYWRI-RBUKOAKNSA-N 0 3 398.507 0.846 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NC/C=C\c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001130009384 1205529110 /nfs/dbraw/zinc/52/91/10/1205529110.db2.gz LZMMWAMQTRVLGD-IVSKJGBLSA-N 0 3 380.452 0.454 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000805073885 1205532153 /nfs/dbraw/zinc/53/21/53/1205532153.db2.gz AIOJBUMLYAVXEZ-IXDOHACOSA-N 0 3 379.505 0.829 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000747231925 1205532736 /nfs/dbraw/zinc/53/27/36/1205532736.db2.gz OXOYAEVHHFLJCJ-DLBZAZTESA-N 0 3 381.498 0.371 20 0 GCADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1C ZINC000747237617 1205534501 /nfs/dbraw/zinc/53/45/01/1205534501.db2.gz XCNZOAFWWMBRAM-IRXDYDNUSA-N 0 3 395.525 0.903 20 0 GCADHN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130213084 1205536856 /nfs/dbraw/zinc/53/68/56/1205536856.db2.gz SSAIDCANIOSLCR-FQUUOJAGSA-N 0 3 392.504 0.441 20 0 GCADHN CCc1cc(CNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)[nH]n1 ZINC000805849429 1205544814 /nfs/dbraw/zinc/54/48/14/1205544814.db2.gz IHLSLUXFTKIFES-UHFFFAOYSA-N 0 3 399.495 0.861 20 0 GCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000806235871 1205552359 /nfs/dbraw/zinc/55/23/59/1205552359.db2.gz DVUISCZERWODDF-QGZVFWFLSA-N 0 3 388.516 0.421 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806254376 1205552784 /nfs/dbraw/zinc/55/27/84/1205552784.db2.gz LCDUALZFDUMCEE-HOTGVXAUSA-N 0 3 383.489 0.405 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000806327267 1205554308 /nfs/dbraw/zinc/55/43/08/1205554308.db2.gz GRXYIQOGCCOJFN-IAGOWNOFSA-N 0 3 391.516 0.683 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000806327269 1205554401 /nfs/dbraw/zinc/55/44/01/1205554401.db2.gz GRXYIQOGCCOJFN-SJORKVTESA-N 0 3 391.516 0.683 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(=O)OCC(C)C)CC1 ZINC000806328688 1205554433 /nfs/dbraw/zinc/55/44/33/1205554433.db2.gz NKMMTYGYUZBQCP-INIZCTEOSA-N 0 3 382.505 0.914 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCCC1(C)OCCO1 ZINC000806377566 1205555241 /nfs/dbraw/zinc/55/52/41/1205555241.db2.gz OJCBIVQFORIZAD-UHFFFAOYSA-N 0 3 381.448 0.985 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)NC2COC(C)(C)OC2)Cc2ccccc2C1 ZINC000806656197 1205560857 /nfs/dbraw/zinc/56/08/57/1205560857.db2.gz UQFCAJOCHSSQLE-UHFFFAOYSA-N 0 3 375.469 0.470 20 0 GCADHN CN(C)CCN1CCN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)CC1=O ZINC001130706752 1205561056 /nfs/dbraw/zinc/56/10/56/1205561056.db2.gz ASUXWEGMZIZRCK-UHFFFAOYSA-N 0 3 390.459 0.727 20 0 GCADHN C[C@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CCO1 ZINC000806665586 1205563587 /nfs/dbraw/zinc/56/35/87/1205563587.db2.gz AFBHXNGGWRPFOW-XYTVBORESA-N 0 3 381.521 0.090 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)NC[C@H]1COC2(CCC(C)CC2)O1 ZINC000806704135 1205563684 /nfs/dbraw/zinc/56/36/84/1205563684.db2.gz PRVPKEMLJMAXDG-WUJZJPHMSA-N 0 3 385.505 0.509 20 0 GCADHN O=C(NC[C@H]1COC2(CCOCC2)O1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000806712142 1205564639 /nfs/dbraw/zinc/56/46/39/1205564639.db2.gz BJGXKIKINDBIOZ-HOTGVXAUSA-N 0 3 381.473 0.112 20 0 GCADHN O=C(NC[C@@H]1COC2(CCOCC2)O1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000806712143 1205564709 /nfs/dbraw/zinc/56/47/09/1205564709.db2.gz BJGXKIKINDBIOZ-HZPDHXFCSA-N 0 3 381.473 0.112 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000806718644 1205565392 /nfs/dbraw/zinc/56/53/92/1205565392.db2.gz XNWAMZKNGUMMNO-GJZGRUSLSA-N 0 3 383.489 0.261 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000806718415 1205565644 /nfs/dbraw/zinc/56/56/44/1205565644.db2.gz VPHXSUDQCQWXTE-OAHLLOKOSA-N 0 3 383.489 0.358 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cnc(C3OCCO3)s2)CC1 ZINC000806788712 1205567325 /nfs/dbraw/zinc/56/73/25/1205567325.db2.gz HFFNQRLEZNDKMK-UHFFFAOYSA-N 0 3 380.470 0.569 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)CC1(C)OCCO1 ZINC000806788278 1205567436 /nfs/dbraw/zinc/56/74/36/1205567436.db2.gz UAJOQVNEAUCGQA-HNNXBMFYSA-N 0 3 384.521 0.034 20 0 GCADHN CSCCCCCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000806884448 1205568933 /nfs/dbraw/zinc/56/89/33/1205568933.db2.gz MPNJXFAZEBGYAK-MRXNPFEDSA-N 0 3 398.573 0.791 20 0 GCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)c1 ZINC000806918955 1205569232 /nfs/dbraw/zinc/56/92/32/1205569232.db2.gz KCYYGWVFZQUPOQ-CQSZACIVSA-N 0 3 376.457 0.602 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000806904093 1205569811 /nfs/dbraw/zinc/56/98/11/1205569811.db2.gz WPLYGSJASZWVAI-KGLIPLIRSA-N 0 3 394.497 0.955 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000807461150 1205582181 /nfs/dbraw/zinc/58/21/81/1205582181.db2.gz QREZDZRFYIPVDA-ZDUSSCGKSA-N 0 3 375.473 0.393 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000807639694 1205587157 /nfs/dbraw/zinc/58/71/57/1205587157.db2.gz YCVFUZDBFOYPQU-UHFFFAOYSA-N 0 3 375.517 0.858 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000807834242 1205592772 /nfs/dbraw/zinc/59/27/72/1205592772.db2.gz JRVVTPMVIVXJOF-OAHLLOKOSA-N 0 3 382.505 0.912 20 0 GCADHN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N(C)CCN(C)C2CC2)C1 ZINC000808036152 1205595674 /nfs/dbraw/zinc/59/56/74/1205595674.db2.gz FLTWBHNXPFLYTB-LSDHHAIUSA-N 0 3 382.505 0.912 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCCc1ccnn1C ZINC000808018827 1205596832 /nfs/dbraw/zinc/59/68/32/1205596832.db2.gz OXLNVMBDACBRCS-UHFFFAOYSA-N 0 3 375.448 0.808 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCc1ccnn1C ZINC000808020762 1205596984 /nfs/dbraw/zinc/59/69/84/1205596984.db2.gz MVZBJHSXADSCMB-UHFFFAOYSA-N 0 3 375.448 0.808 20 0 GCADHN CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N(C)CCN2CCCC2)C1 ZINC000808042083 1205598576 /nfs/dbraw/zinc/59/85/76/1205598576.db2.gz FMZQDSFDEYMCRX-CVEARBPZSA-N 0 3 382.505 0.914 20 0 GCADHN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000808156104 1205600668 /nfs/dbraw/zinc/60/06/68/1205600668.db2.gz ACGCSINYPAMHMF-XFQAVAEZSA-N 0 3 398.463 0.047 20 0 GCADHN O=C(OCC(F)(F)F)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000808161761 1205601141 /nfs/dbraw/zinc/60/11/41/1205601141.db2.gz YPFPQXBLPVJOBL-UPJWGTAASA-N 0 3 379.379 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/nfs/dbraw/zinc/61/60/21/1205616021.db2.gz QKURCHGCVIIOOE-ALYAQQCSSA-N 0 3 379.482 0.224 20 0 GCADHN CNC(=O)NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001131533410 1205616906 /nfs/dbraw/zinc/61/69/06/1205616906.db2.gz CBMTZURIUJZSSY-RNKNFESXSA-N 0 3 392.500 0.618 20 0 GCADHN C[C@@H](NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)NCc1ccccc1F ZINC001131522212 1205616924 /nfs/dbraw/zinc/61/69/24/1205616924.db2.gz XEQWRAVTDHJZDC-YGGMAOAASA-N 0 3 375.444 0.960 20 0 GCADHN CC(C)N(CC(F)(F)F)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131524980 1205617025 /nfs/dbraw/zinc/61/70/25/1205617025.db2.gz ZDRZKCBDOFVRAS-JYKNGBAOSA-N 0 3 377.407 0.915 20 0 GCADHN COc1ccccc1CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131524889 1205617143 /nfs/dbraw/zinc/61/71/43/1205617143.db2.gz WAIFKJCXFFTQTG-IQVDAOPISA-N 0 3 387.480 0.829 20 0 GCADHN CN(Cc1cccc(F)c1)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131525691 1205617423 /nfs/dbraw/zinc/61/74/23/1205617423.db2.gz GQXKOUBBMMLPNI-BCDMZGRMSA-N 0 3 375.444 0.913 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC2CC2)CC1 ZINC001131567654 1205618576 /nfs/dbraw/zinc/61/85/76/1205618576.db2.gz MOEMLJVFGJYABB-JBCDFXQESA-N 0 3 393.528 0.923 20 0 GCADHN NC(=O)NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001131578034 1205618870 /nfs/dbraw/zinc/61/88/70/1205618870.db2.gz LDKIKADALZTAGT-HWMZRRJGSA-N 0 3 378.473 0.213 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000809240103 1205620189 /nfs/dbraw/zinc/62/01/89/1205620189.db2.gz SKHSPJXIVQSWDF-QZTJIDSGSA-N 0 3 388.512 0.650 20 0 GCADHN C[C@H](Nc1ncc(C(=O)N2CCC[C@@H]2C(N)=O)cc1Cl)[C@H]1CNCCO1 ZINC001170574472 1205620589 /nfs/dbraw/zinc/62/05/89/1205620589.db2.gz WFYXHTGNCNVYCM-ZLKJLUDKSA-N 0 3 381.864 0.614 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCc1ccccc1F ZINC001131648365 1205622712 /nfs/dbraw/zinc/62/27/12/1205622712.db2.gz 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CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000809868145 1205630910 /nfs/dbraw/zinc/63/09/10/1205630910.db2.gz ZIISZQGCMQGXQY-HUUCEWRRSA-N 0 3 382.505 0.960 20 0 GCADHN COC(=O)c1cn([C@H]2CCCN(C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)nn1 ZINC000809977566 1205632224 /nfs/dbraw/zinc/63/22/24/1205632224.db2.gz JWZKLFFMIVILGE-UGSOOPFHSA-N 0 3 397.476 0.977 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000810269303 1205635116 /nfs/dbraw/zinc/63/51/16/1205635116.db2.gz DWADIPKAICCFTI-GVDBMIGSSA-N 0 3 377.489 0.463 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](N[C@H]2CCC(=O)NC2=O)CN1C(=O)OC(C)(C)C ZINC001170616995 1205642974 /nfs/dbraw/zinc/64/29/74/1205642974.db2.gz MPXJSRNDCNSINE-AGIUHOORSA-N 0 3 383.445 0.712 20 0 GCADHN COC[C@]1(CN(C)C)COCCN1C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001132762002 1205650601 /nfs/dbraw/zinc/65/06/01/1205650601.db2.gz UYUIWQSYTNMMRH-OXJNMPFZSA-N 0 3 381.517 0.973 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)C3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000811749603 1205655319 /nfs/dbraw/zinc/65/53/19/1205655319.db2.gz KCAUKMRSSONISA-IEBWSBKVSA-N 0 3 390.528 0.744 20 0 GCADHN COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000812119455 1205661362 /nfs/dbraw/zinc/66/13/62/1205661362.db2.gz YGEGSBAFQOFXDO-HOTGVXAUSA-N 0 3 392.504 0.171 20 0 GCADHN COCC(=O)NC1CCN(CCCN2C(=O)CS/C2=C\C(=O)OC)CC1 ZINC000747811565 1205667879 /nfs/dbraw/zinc/66/78/79/1205667879.db2.gz IONYGKXRCVQZDS-YBEGLDIGSA-N 0 3 385.486 0.193 20 0 GCADHN CCOc1cccc(CNC(=O)CNCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001134102441 1205687237 /nfs/dbraw/zinc/68/72/37/1205687237.db2.gz MAUWNRCZLDQZGF-KURKYZTESA-N 0 3 375.469 0.975 20 0 GCADHN COCc1cccc(CNC(=O)CNCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001134102506 1205687279 /nfs/dbraw/zinc/68/72/79/1205687279.db2.gz OGQHCKQIAPPJHF-KURKYZTESA-N 0 3 375.469 0.723 20 0 GCADHN COc1cccc(CN(C)C(=O)CNCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001134117083 1205687669 /nfs/dbraw/zinc/68/76/69/1205687669.db2.gz DFXFUVTXPAXCJN-KURKYZTESA-N 0 3 375.469 0.927 20 0 GCADHN CS(=O)(=O)c1ccc([C@@H](O)CNCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC001134121145 1205687855 /nfs/dbraw/zinc/68/78/55/1205687855.db2.gz PAZHMNJRARKVSO-SIXLDLHFSA-N 0 3 382.482 0.397 20 0 GCADHN O=C(NC[C@H]1CC[C@@H](NCc2nnc3n2CCOC3)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001086722278 1205692152 /nfs/dbraw/zinc/69/21/52/1205692152.db2.gz UMYYYKYZYAGQRI-GBJTYRQASA-N 0 3 385.472 0.710 20 0 GCADHN O=C(NC[C@H]1CC[C@@H](NCc2nnc3n2CCOC3)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001086722278 1205692154 /nfs/dbraw/zinc/69/21/54/1205692154.db2.gz UMYYYKYZYAGQRI-GBJTYRQASA-N 0 3 385.472 0.710 20 0 GCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(OCC(N)=O)cc1 ZINC000814649791 1205694354 /nfs/dbraw/zinc/69/43/54/1205694354.db2.gz CMKJFURSXBTRFE-UHFFFAOYSA-N 0 3 393.465 0.709 20 0 GCADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2CCC3(CCNC(=O)O3)CC2)cn1 ZINC001134598283 1205695309 /nfs/dbraw/zinc/69/53/09/1205695309.db2.gz FDCOXPCMOYOBML-CVEARBPZSA-N 0 3 375.473 0.947 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CN[C@@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000815290964 1205702304 /nfs/dbraw/zinc/70/23/04/1205702304.db2.gz ZBVHROSQPMBFQS-PKOBYXMFSA-N 0 3 383.489 0.633 20 0 GCADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001171836642 1205710057 /nfs/dbraw/zinc/71/00/57/1205710057.db2.gz WMQYRXHDTANPAE-WBVHZDCISA-N 0 3 385.472 0.349 20 0 GCADHN CN(C)C(=O)COCc1noc2c1CN(C1C[C@@H]3COC[C@H](C1)N3C)CC2 ZINC001172136123 1205712813 /nfs/dbraw/zinc/71/28/13/1205712813.db2.gz AMZMIQDOLHBZBS-GOOCMWNKSA-N 0 3 378.473 0.499 20 0 GCADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN([C@H]1CCN3C(=O)CC[C@@H]3C1)C2 ZINC001172176569 1205714080 /nfs/dbraw/zinc/71/40/80/1205714080.db2.gz GVEUYUJKWQTUAN-QKLQHJQFSA-N 0 3 379.501 0.726 20 0 GCADHN COC(=O)[C@H]1CCC[C@H](N(Cc2ncn3c2CNCCC3)S(C)(=O)=O)C1 ZINC001172628727 1205716313 /nfs/dbraw/zinc/71/63/13/1205716313.db2.gz XTBIPUNYLSYIJM-KBPBESRZSA-N 0 3 384.502 0.870 20 0 GCADHN COC(=O)[C@@H]1CCC[C@@H](N(Cc2ncn3c2CNCCC3)S(C)(=O)=O)C1 ZINC001172628730 1205716418 /nfs/dbraw/zinc/71/64/18/1205716418.db2.gz XTBIPUNYLSYIJM-ZIAGYGMSSA-N 0 3 384.502 0.870 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172711538 1205717283 /nfs/dbraw/zinc/71/72/83/1205717283.db2.gz BGWFSVNQFKTZOC-YWDSYVAPSA-N 0 3 395.887 0.968 20 0 GCADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@H](C)Cc1c(F)cccc1Cl ZINC001172852497 1205717542 /nfs/dbraw/zinc/71/75/42/1205717542.db2.gz STJGQFMDKLHWMA-LLVKDONJSA-N 0 3 387.839 0.795 20 0 GCADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@H](C)Cc1ccc(F)cc1Cl ZINC001172860564 1205717643 /nfs/dbraw/zinc/71/76/43/1205717643.db2.gz MFUPIQNQZGKIOZ-LLVKDONJSA-N 0 3 387.839 0.795 20 0 GCADHN COC(=O)[C@H]1C[C@@H](N(C)S(=O)(=O)CCN)CCN1C(=O)c1ccccc1 ZINC001173484757 1205721224 /nfs/dbraw/zinc/72/12/24/1205721224.db2.gz BHHKBFMPWOUTNW-LSDHHAIUSA-N 0 3 383.470 0.053 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N(C)S(=O)(=O)CCN)CCN1C(=O)c1ccccc1 ZINC001173484755 1205721284 /nfs/dbraw/zinc/72/12/84/1205721284.db2.gz BHHKBFMPWOUTNW-GJZGRUSLSA-N 0 3 383.470 0.053 20 0 GCADHN CN(CC(=O)N1CCOCC1)C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173470246 1205721387 /nfs/dbraw/zinc/72/13/87/1205721387.db2.gz QYPLQIWUVIILGS-UHFFFAOYSA-N 0 3 389.496 0.985 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](NCCS(=O)(=O)N(C)C)CCN1C(=O)c1ccccc1 ZINC001173502116 1205721808 /nfs/dbraw/zinc/72/18/08/1205721808.db2.gz NDCJNXNPNFFSTJ-HOTGVXAUSA-N 0 3 397.497 0.314 20 0 GCADHN C[C@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001173539560 1205722522 /nfs/dbraw/zinc/72/25/22/1205722522.db2.gz PUUMEZMLKPLAAL-ILBACIQZSA-N 0 3 380.268 0.704 20 0 GCADHN C[C@@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001173539558 1205722525 /nfs/dbraw/zinc/72/25/25/1205722525.db2.gz PUUMEZMLKPLAAL-FSJRPERPSA-N 0 3 380.268 0.704 20 0 GCADHN CC[C@]1(C(=O)OC)C[C@H](NCCN2CCNC2=O)CN1C(=O)OC(C)(C)C ZINC001173511248 1205722925 /nfs/dbraw/zinc/72/29/25/1205722925.db2.gz HKIAPPNJECFMED-SCLBCKFNSA-N 0 3 384.477 0.932 20 0 GCADHN COC(=O)[C@@H]1C[C@H](NCc2ccc(N3CCOCC3=O)cc2)C[C@@H]1C(=O)OC ZINC001173566949 1205723743 /nfs/dbraw/zinc/72/37/43/1205723743.db2.gz AVJVOFBESRKZQR-ACHSLPGTSA-N 0 3 390.436 0.880 20 0 GCADHN CCOC(=O)[C@@]12CCO[C@@H]1CCN([C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)C2 ZINC001173573052 1205723881 /nfs/dbraw/zinc/72/38/81/1205723881.db2.gz FWYZRAQZUWZZAL-ULPMNANESA-N 0 3 383.441 0.771 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N2CC[C@H]3OCCN(C(C)=O)[C@@H]3CC2)C[C@@H]1C(=O)OC ZINC001173574522 1205724303 /nfs/dbraw/zinc/72/43/03/1205724303.db2.gz GKCSMVBMSARXMR-NQNKBUKLSA-N 0 3 382.457 0.439 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3OCCN(C(C)=O)[C@H]3CC2)C[C@@H]1C(=O)OC ZINC001173574521 1205724396 /nfs/dbraw/zinc/72/43/96/1205724396.db2.gz GKCSMVBMSARXMR-KSWRQPAISA-N 0 3 382.457 0.439 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)C[C@@H]1C(=O)OC ZINC001173577419 1205724515 /nfs/dbraw/zinc/72/45/15/1205724515.db2.gz SELCRSUDBOAJHT-JKJDWNRSSA-N 0 3 390.440 0.107 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)C[C@@H]1C(=O)OC ZINC001173577421 1205724523 /nfs/dbraw/zinc/72/45/23/1205724523.db2.gz SELCRSUDBOAJHT-LJIZCISZSA-N 0 3 390.440 0.107 20 0 GCADHN COCCN1CCC2(CCN([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC2)C1=O ZINC001173580016 1205724753 /nfs/dbraw/zinc/72/47/53/1205724753.db2.gz UTEYXUNMIFUREA-MUJYYYPQSA-N 0 3 396.484 0.688 20 0 GCADHN COCCN1C(=O)CCC12CCN([C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)CC2 ZINC001173581458 1205724861 /nfs/dbraw/zinc/72/48/61/1205724861.db2.gz YRSBYZBDIBFUHW-PHZGNYQRSA-N 0 3 396.484 0.831 20 0 GCADHN NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC1CCN(CC(F)(F)F)CC1 ZINC001173667768 1205726151 /nfs/dbraw/zinc/72/61/51/1205726151.db2.gz KJUQDLDUUBPCLB-HNNXBMFYSA-N 0 3 386.418 0.816 20 0 GCADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN([C@@H]1CCC[C@@H](n3ncnn3)C1)C2 ZINC001173757720 1205727578 /nfs/dbraw/zinc/72/75/78/1205727578.db2.gz AVPPECXXUQVAEQ-LMMKCTJWSA-N 0 3 392.504 0.743 20 0 GCADHN COc1cc(OC)nc(CN2CCN([C@H]3CCC[C@H](n4ncnn4)C3)CC2)n1 ZINC001173759042 1205727997 /nfs/dbraw/zinc/72/79/97/1205727997.db2.gz IGRCMCXJMUTZIW-GJZGRUSLSA-N 0 3 388.476 0.782 20 0 GCADHN COc1ccc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)cc1-n1cnnn1 ZINC001175180751 1205735987 /nfs/dbraw/zinc/73/59/87/1205735987.db2.gz QVDQZJJQWNJCBC-HZPDHXFCSA-N 0 3 386.456 0.779 20 0 GCADHN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)ccc1S(N)(=O)=O ZINC001175179566 1205736018 /nfs/dbraw/zinc/73/60/18/1205736018.db2.gz KAJVYDRVRKRCAY-HOTGVXAUSA-N 0 3 381.498 0.750 20 0 GCADHN O=C(N[C@@H]1CCC[C@H]1N1CCC(O)CC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001175181112 1205736028 /nfs/dbraw/zinc/73/60/28/1205736028.db2.gz RVLRWGWEZJDXAI-MKXGPGLRSA-N 0 3 381.517 0.360 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCN(C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001175955189 1205743269 /nfs/dbraw/zinc/74/32/69/1205743269.db2.gz IRLIVVMDLLPVRF-HIFRSBDPSA-N 0 3 397.497 0.182 20 0 GCADHN COCCn1c(N)c(C(=O)CN2CCN(C3CCCC3)[C@H](C)C2)c(=O)[nH]c1=O ZINC001176152923 1205744697 /nfs/dbraw/zinc/74/46/97/1205744697.db2.gz ATRQBGKCJAXPJT-CYBMUJFWSA-N 0 3 393.488 0.309 20 0 GCADHN CC(C)(C)OC(=O)NCCn1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)nn1 ZINC001176542669 1205748477 /nfs/dbraw/zinc/74/84/77/1205748477.db2.gz NYBLMTJDTCQWCR-UONOGXRCSA-N 0 3 394.476 0.084 20 0 GCADHN CC(C)(CNS(N)(=O)=O)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC001176780122 1205753212 /nfs/dbraw/zinc/75/32/12/1205753212.db2.gz IRWQQNUPULMHHD-UHFFFAOYSA-N 0 3 397.545 0.277 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)Cc1ccc(-n3cnnn3)cc1)CC2 ZINC001176862324 1205756928 /nfs/dbraw/zinc/75/69/28/1205756928.db2.gz DICPOVFJMQGSIN-UHFFFAOYSA-N 0 3 397.483 0.408 20 0 GCADHN CN(C)CCn1nccc1C(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001178179270 1205783447 /nfs/dbraw/zinc/78/34/47/1205783447.db2.gz NDQFLUHRLPQTPV-UHFFFAOYSA-N 0 3 388.350 0.199 20 0 GCADHN N[C@@H]1NCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)[C@H]2NCN[C@H]21 ZINC001178592952 1205789695 /nfs/dbraw/zinc/78/96/95/1205789695.db2.gz ANSATRMJIKDMSK-CEWLAPEOSA-N 0 3 392.507 0.227 20 0 GCADHN C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008407 1205799226 /nfs/dbraw/zinc/79/92/26/1205799226.db2.gz KEXLOYLPECQLOV-SPLOXXLWSA-N 0 3 387.480 0.651 20 0 GCADHN COc1ccc(C(=O)CNC(=O)CCC(=O)N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC001179008908 1205799459 /nfs/dbraw/zinc/79/94/59/1205799459.db2.gz UQAUSHJNQXPNIS-OAHLLOKOSA-N 0 3 389.452 0.364 20 0 GCADHN CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cn1 ZINC001179008732 1205799467 /nfs/dbraw/zinc/79/94/67/1205799467.db2.gz QROOTXNYHILOSR-CYBMUJFWSA-N 0 3 377.445 0.704 20 0 GCADHN CC(=O)N1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@H](C3)C4=O)CC2)CC1 ZINC001179012760 1205799714 /nfs/dbraw/zinc/79/97/14/1205799714.db2.gz SOEFTGSLYIWBTP-CALCHBBNSA-N 0 3 377.485 0.383 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC001179074808 1205802190 /nfs/dbraw/zinc/80/21/90/1205802190.db2.gz ZGAYPLQSWCQZLN-RDTXWAMCSA-N 0 3 385.505 0.567 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001179134002 1205803159 /nfs/dbraw/zinc/80/31/59/1205803159.db2.gz QFFOIPXIERJAMW-CABCVRRESA-N 0 3 383.489 0.944 20 0 GCADHN C[C@H]1[C@@H](NCC(=O)NCC(F)(F)F)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001179179273 1205803356 /nfs/dbraw/zinc/80/33/56/1205803356.db2.gz OVSGFACIZZEMDK-CRMAGSECSA-N 0 3 375.391 0.667 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 ZINC001179139363 1205803448 /nfs/dbraw/zinc/80/34/48/1205803448.db2.gz IYSNCRYNFRPYMN-CQSZACIVSA-N 0 3 383.489 0.728 20 0 GCADHN CN1CCC[C@@H]2CN(C(=O)[C@H]3NC(=O)CC34CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 ZINC001179216509 1205805591 /nfs/dbraw/zinc/80/55/91/1205805591.db2.gz HTPFWQMWYFBWGU-IJEWVQPXSA-N 0 3 392.500 0.665 20 0 GCADHN Cc1cc(NC(=O)CN[C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C)n(C)n1 ZINC001179585327 1205812696 /nfs/dbraw/zinc/81/26/96/1205812696.db2.gz QTNNGFGBIFAHPL-OTJKEOIZSA-N 0 3 375.473 0.814 20 0 GCADHN Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001180027049 1205816849 /nfs/dbraw/zinc/81/68/49/1205816849.db2.gz BNHQALUIFSXEAN-PMPSAXMXSA-N 0 3 385.472 0.346 20 0 GCADHN Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001180027049 1205816850 /nfs/dbraw/zinc/81/68/50/1205816850.db2.gz BNHQALUIFSXEAN-PMPSAXMXSA-N 0 3 385.472 0.346 20 0 GCADHN CN1N=C(C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)CCC1=O ZINC001180443814 1205824315 /nfs/dbraw/zinc/82/43/15/1205824315.db2.gz MKWRBZBTIMULTP-KGLIPLIRSA-N 0 3 393.488 0.652 20 0 GCADHN C[C@@H](C(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21)N1CCCC1 ZINC001180579345 1205826150 /nfs/dbraw/zinc/82/61/50/1205826150.db2.gz OMFWMOTVPKWURR-QMCVQRASSA-N 0 3 375.473 0.393 20 0 GCADHN C[C@@H](C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1)N1CCCC1 ZINC001180579595 1205826154 /nfs/dbraw/zinc/82/61/54/1205826154.db2.gz OFCFKUITQUBHSC-HNNXBMFYSA-N 0 3 384.484 0.978 20 0 GCADHN C[C@H](C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1)N1CCCC1 ZINC001180577773 1205826192 /nfs/dbraw/zinc/82/61/92/1205826192.db2.gz DCYNTQQWKZKOQG-IAGOWNOFSA-N 0 3 379.501 0.727 20 0 GCADHN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)CN(C)C3CCCC3)C2)C1=O ZINC001180627965 1205828862 /nfs/dbraw/zinc/82/88/62/1205828862.db2.gz NNJZTWHNUWYDMR-HXUWFJFHSA-N 0 3 378.517 0.790 20 0 GCADHN CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000773882473 1205832969 /nfs/dbraw/zinc/83/29/69/1205832969.db2.gz KLDOIRFKDUKNAM-UHFFFAOYSA-N 0 3 375.473 0.362 20 0 GCADHN CC(C)(C)OC(=O)N1CCN2C[C@@H](CNC(=O)CCNC(=O)C3CC3)C[C@H]2C1 ZINC001180853063 1205834359 /nfs/dbraw/zinc/83/43/59/1205834359.db2.gz TZBXZZVGKGKPDE-ZBFHGGJFSA-N 0 3 394.516 0.960 20 0 GCADHN COCCN1C[C@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)CC1=O ZINC001180895247 1205835797 /nfs/dbraw/zinc/83/57/97/1205835797.db2.gz RGDLPNSJHOHKOL-MRXNPFEDSA-N 0 3 394.516 0.074 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1C[C@H]2[C@H](C1)CCCN2C ZINC001181402999 1205843779 /nfs/dbraw/zinc/84/37/79/1205843779.db2.gz YUUXLXIYAKSBJP-AJNGGQMLSA-N 0 3 382.505 0.957 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1cccs1 ZINC001110244953 1205843844 /nfs/dbraw/zinc/84/38/44/1205843844.db2.gz VWVYHKPTCHAPQQ-SRABZTEZSA-N 0 3 381.498 0.483 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC3(CCN(C)C3=O)CC2)CC1 ZINC000773921779 1205843953 /nfs/dbraw/zinc/84/39/53/1205843953.db2.gz IWUCRRSJDUPOCP-HNNXBMFYSA-N 0 3 380.489 0.620 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccccc1 ZINC001110244753 1205844098 /nfs/dbraw/zinc/84/40/98/1205844098.db2.gz NXVOPMYLCIQNLH-HCXYKTFWSA-N 0 3 375.469 0.422 20 0 GCADHN NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC001181474170 1205845168 /nfs/dbraw/zinc/84/51/68/1205845168.db2.gz VWQRDRYGVRXVQJ-BHYGNILZSA-N 0 3 380.514 0.867 20 0 GCADHN COCC[C@@]1(NCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CCOC1 ZINC000773955738 1205851935 /nfs/dbraw/zinc/85/19/35/1205851935.db2.gz UKGVSLGDOKMIQW-LKGZKJKYSA-N 0 3 382.461 0.304 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001181992388 1205852801 /nfs/dbraw/zinc/85/28/01/1205852801.db2.gz CCSOOVQFJQYUHW-YRXWBPOGSA-N 0 3 393.528 0.831 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001181997721 1205852874 /nfs/dbraw/zinc/85/28/74/1205852874.db2.gz SQBYFKGBGDOGLH-LQWHRVPQSA-N 0 3 393.528 0.975 20 0 GCADHN CN1CCC(O)(C(=O)N2C[C@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)CC1 ZINC001182030475 1205853693 /nfs/dbraw/zinc/85/36/93/1205853693.db2.gz DCWRPROLQLDCCV-DJIMGWMZSA-N 0 3 388.468 0.483 20 0 GCADHN C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001182033839 1205854195 /nfs/dbraw/zinc/85/41/95/1205854195.db2.gz ZXAWLZLEZYLAHB-CYBMUJFWSA-N 0 3 375.473 0.376 20 0 GCADHN C[S@](=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1F ZINC000774253928 1205867311 /nfs/dbraw/zinc/86/73/11/1205867311.db2.gz QWMBQMOLWCXMMX-CXHCJZKCSA-N 0 3 383.445 0.481 20 0 GCADHN Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)cc2)o1 ZINC000774254772 1205867353 /nfs/dbraw/zinc/86/73/53/1205867353.db2.gz UOSOBDHKIBMIDV-CVEARBPZSA-N 0 3 385.424 0.963 20 0 GCADHN CN(C)C(=O)CN1CCCC2(CCN(C(=O)[C@@H]3CSCC(=O)N3)CC2)C1 ZINC001273474866 1205867985 /nfs/dbraw/zinc/86/79/85/1205867985.db2.gz UGHPZVYBLYTCIN-AWEZNQCLSA-N 0 3 382.530 0.011 20 0 GCADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]1CCCN1CC1CC1)C2 ZINC001182555894 1205875641 /nfs/dbraw/zinc/87/56/41/1205875641.db2.gz DVRCZFPNPSPXIG-GHTZIAJQSA-N 0 3 393.528 0.973 20 0 GCADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H]1CCCN1CC1CC1 ZINC001182553472 1205875709 /nfs/dbraw/zinc/87/57/09/1205875709.db2.gz OCPNYWXSNDVVHV-HNNXBMFYSA-N 0 3 382.486 0.483 20 0 GCADHN CC(C)N(CC(=O)N1CCOC[C@H]1CN(C)C)S(=O)(=O)c1ccccc1 ZINC001182600247 1205877723 /nfs/dbraw/zinc/87/77/23/1205877723.db2.gz AXLGRHOKQXDGOR-MRXNPFEDSA-N 0 3 383.514 0.875 20 0 GCADHN NC1(C(=O)NCc2ccccc2)CCN(C(=O)Cc2cn3cccnc3n2)CC1 ZINC001182751572 1205879097 /nfs/dbraw/zinc/87/90/97/1205879097.db2.gz ULFLZIQZOHDMFX-UHFFFAOYSA-N 0 3 392.463 0.908 20 0 GCADHN CN(C[C@@H](O)CO)C(=O)C1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183130805 1205886887 /nfs/dbraw/zinc/88/68/87/1205886887.db2.gz ACWYWHWDXMIOQU-HZPDHXFCSA-N 0 3 385.505 0.519 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCCCCCC2)CC1 ZINC000774594224 1205887857 /nfs/dbraw/zinc/88/78/57/1205887857.db2.gz YTNMVZIAOLSNGZ-QGZVFWFLSA-N 0 3 378.517 0.981 20 0 GCADHN CCC(CO)(CO)NC(=O)C1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183157452 1205888853 /nfs/dbraw/zinc/88/88/53/1205888853.db2.gz LSMPYRLGCKVAPV-MRXNPFEDSA-N 0 3 399.532 0.957 20 0 GCADHN CC(C)[C@H](C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1)N(C)C ZINC001183362913 1205891320 /nfs/dbraw/zinc/89/13/20/1205891320.db2.gz PSFNNWLXCWUBBG-CRAIPNDOSA-N 0 3 399.499 0.648 20 0 GCADHN CC(C)[C@H](C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1)N(C)C ZINC001183359136 1205891344 /nfs/dbraw/zinc/89/13/44/1205891344.db2.gz AJFAZJOCVALVLH-DZOHQFGASA-N 0 3 389.500 0.799 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2)N(C)C ZINC001183362821 1205891367 /nfs/dbraw/zinc/89/13/67/1205891367.db2.gz PFZZDOGRCWHWCP-QGZVFWFLSA-N 0 3 389.500 0.896 20 0 GCADHN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)N[C@@]3(C)CCCN(C)C3)=C([C@H]3CCCO3)S[C@H]12 ZINC001183463385 1205893286 /nfs/dbraw/zinc/89/32/86/1205893286.db2.gz IRINGPMFVMBVEF-AXSVFMRZSA-N 0 3 395.525 0.890 20 0 GCADHN C[C@]1(O)C=C[C@H](O)C(C(=O)N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)=C1 ZINC001183541726 1205894528 /nfs/dbraw/zinc/89/45/28/1205894528.db2.gz VHNLBBNNTZEROU-IGGJEDBVSA-N 0 3 385.464 0.491 20 0 GCADHN C[C@@]1(O)C=C[C@@H](O)C(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)=C1 ZINC001183543807 1205894716 /nfs/dbraw/zinc/89/47/16/1205894716.db2.gz JLFSDYFICSJRPA-YLJYHZDGSA-N 0 3 377.485 0.188 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CNC(=O)CN2C(=O)C12CCCN1CCC2 ZINC001183557064 1205895039 /nfs/dbraw/zinc/89/50/39/1205895039.db2.gz MCBRKVFELMBFAC-LJQANCHMSA-N 0 3 392.500 0.953 20 0 GCADHN COC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cc1ccc(F)cc1 ZINC001110335677 1205895650 /nfs/dbraw/zinc/89/56/50/1205895650.db2.gz COVYNHMFALRXCA-VQHPVUNQSA-N 0 3 379.432 0.807 20 0 GCADHN CC[C@H](C)C(=O)C(=O)N1CCc2c(nnn2C)[C@@H]1COCCN1CCCC1 ZINC001184318040 1205907764 /nfs/dbraw/zinc/90/77/64/1205907764.db2.gz DHIJQEQFSVBJNM-HOCLYGCPSA-N 0 3 377.489 0.969 20 0 GCADHN CCN1CCC(N(C)C(=O)[C@@H](O)[C@H](NC(C)=O)C(=O)c2ccccc2)CC1 ZINC001184419757 1205910048 /nfs/dbraw/zinc/91/00/48/1205910048.db2.gz RSHJDYCSBZANEQ-MJGOQNOKSA-N 0 3 375.469 0.678 20 0 GCADHN CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)N[C@H]1CCCC[C@@H]1N(C)C ZINC001184420889 1205910317 /nfs/dbraw/zinc/91/03/17/1205910317.db2.gz IUUXACGXPFRUKD-BMFAXAFESA-N 0 3 375.469 0.724 20 0 GCADHN CC(C)CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184424867 1205910481 /nfs/dbraw/zinc/91/04/81/1205910481.db2.gz OQWDAXWDDCSKGV-HLUFSKSISA-N 0 3 378.473 0.082 20 0 GCADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NCc1cccs1 ZINC001184423748 1205910585 /nfs/dbraw/zinc/91/05/85/1205910585.db2.gz DDKGIABFIBLYDG-OWGXSOMWSA-N 0 3 375.494 0.978 20 0 GCADHN CN(C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)c1cccnc1Cl)CCC2 ZINC001184850620 1205914049 /nfs/dbraw/zinc/91/40/49/1205914049.db2.gz OSKJCOCBPGELOB-UHFFFAOYSA-N 0 3 397.888 0.948 20 0 GCADHN C[C@@H]1C[C@H]1c1ncc(C(=O)n2ccc(=NCCN3CCOCC3)c(N)c2)cn1 ZINC001185114260 1205917133 /nfs/dbraw/zinc/91/71/33/1205917133.db2.gz GBLYMEHYWTWNKD-GDBMZVCRSA-N 0 3 382.468 0.905 20 0 GCADHN CN(CC(=O)N1CCCN2CCC[C@H]2C1)C1=NS(=O)(=O)c2ccccc21 ZINC000142159402 1205917384 /nfs/dbraw/zinc/91/73/84/1205917384.db2.gz CWYDIZYSMRRERT-AWEZNQCLSA-N 0 3 376.482 0.764 20 0 GCADHN O=C(NC[C@H](c1ccco1)N1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000774865220 1205921848 /nfs/dbraw/zinc/92/18/48/1205921848.db2.gz HNQCGWXNFIGLRD-GVDBMIGSSA-N 0 3 390.484 0.512 20 0 GCADHN CC(C)CCOCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001185784284 1205928975 /nfs/dbraw/zinc/92/89/75/1205928975.db2.gz RXRXKDVLHMPXIN-TVFCKZIOSA-N 0 3 381.517 0.923 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1)Cc1ccccc1 ZINC000774926891 1205929168 /nfs/dbraw/zinc/92/91/68/1205929168.db2.gz XUBLMKNSXHOQIJ-MSOLQXFVSA-N 0 3 389.496 0.887 20 0 GCADHN O=C(CN1CC[C@H](O)C1)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001186038177 1205933489 /nfs/dbraw/zinc/93/34/89/1205933489.db2.gz NPHJOWHGBNJKLW-HNNXBMFYSA-N 0 3 386.500 0.285 20 0 GCADHN CN1c2ccc(S(=O)(=O)NCCCN3CCC[C@@H](C(N)=O)C3)cc2CC1=O ZINC001186277031 1205937312 /nfs/dbraw/zinc/93/73/12/1205937312.db2.gz ABSOEHYHNGTWGO-CYBMUJFWSA-N 0 3 394.497 0.071 20 0 GCADHN CC(C)Oc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cn1 ZINC001186278532 1205937329 /nfs/dbraw/zinc/93/73/29/1205937329.db2.gz NPGACAQIMUTYPD-AWEZNQCLSA-N 0 3 384.502 0.735 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000775009994 1205938789 /nfs/dbraw/zinc/93/87/89/1205938789.db2.gz YLTTTZUQOARADI-MRXNPFEDSA-N 0 3 398.504 0.293 20 0 GCADHN CCN(CCN[C@@H](C)C(=O)NCC(F)(F)F)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001273522536 1205941431 /nfs/dbraw/zinc/94/14/31/1205941431.db2.gz XIKIPMXEMZLXGF-IIEFLBBWSA-N 0 3 377.407 0.915 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000775027080 1205941462 /nfs/dbraw/zinc/94/14/62/1205941462.db2.gz LXHUYEPXTUFIEH-INIZCTEOSA-N 0 3 380.489 0.810 20 0 GCADHN CCOC(=O)C12CC(C(=O)N3CCC4(CCCN4CC(=O)NC)CC3)(C1)C2 ZINC001186557985 1205941811 /nfs/dbraw/zinc/94/18/11/1205941811.db2.gz UGZSJJIRSGRSDV-UHFFFAOYSA-N 0 3 377.485 0.923 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc(C)c1 ZINC000775036980 1205943714 /nfs/dbraw/zinc/94/37/14/1205943714.db2.gz ZEGDJXZVKFREDF-RBUKOAKNSA-N 0 3 388.512 0.917 20 0 GCADHN CN(C)CCn1c(=O)ccc2c1CCN(C(=O)NCC1CCOCC1)CC2 ZINC001186919465 1205951819 /nfs/dbraw/zinc/95/18/19/1205951819.db2.gz MGYDWCZQBMWZIO-UHFFFAOYSA-N 0 3 376.501 0.947 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)CNC(=O)[C@@H]3CCC(=O)N3)cc2)CC1 ZINC001187519194 1205964353 /nfs/dbraw/zinc/96/43/53/1205964353.db2.gz KSTMSMQCHKGFEI-KRWDZBQOSA-N 0 3 387.484 0.157 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC2CCN([C@@H]3CCOC3=O)CC2)cc1 ZINC001188254854 1205978091 /nfs/dbraw/zinc/97/80/91/1205978091.db2.gz PVFAIKQPZPOICA-QGZVFWFLSA-N 0 3 381.498 0.806 20 0 GCADHN CCCCOC(=O)CNC(=O)N1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001188259393 1205978558 /nfs/dbraw/zinc/97/85/58/1205978558.db2.gz TWWFOBLXKIXAEZ-UHFFFAOYSA-N 0 3 392.500 0.863 20 0 GCADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@@H]2C1 ZINC001188601567 1205987794 /nfs/dbraw/zinc/98/77/94/1205987794.db2.gz ATHIJEQHASTSHS-LTFXXXRZSA-N 0 3 379.501 0.487 20 0 GCADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(CCOCC4CCC4)C[C@H]32)O1 ZINC001189117859 1205995558 /nfs/dbraw/zinc/99/55/58/1205995558.db2.gz PGVGJPAGIUUQDK-ZSYWTGECSA-N 0 3 393.528 0.972 20 0 GCADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H]2C1 ZINC001189167380 1205999419 /nfs/dbraw/zinc/99/94/19/1205999419.db2.gz LFMGQENJKHHWGJ-DODZYUBVSA-N 0 3 389.500 0.209 20 0 GCADHN O=C(Cc1ccon1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001110407887 1206004952 /nfs/dbraw/zinc/00/49/52/1206004952.db2.gz HNXZHTZVNFQCBH-ATLSCFEFSA-N 0 3 379.457 0.495 20 0 GCADHN Cc1ncsc1CN1CC[C@@]2(C1)CCCN(C(=O)CCS(N)(=O)=O)C2 ZINC001273581262 1206006309 /nfs/dbraw/zinc/00/63/09/1206006309.db2.gz ZFUFSYSUFUWLTR-MRXNPFEDSA-N 0 3 386.543 0.945 20 0 GCADHN Cn1nc(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)ccc1=O ZINC001189487986 1206007920 /nfs/dbraw/zinc/00/79/20/1206007920.db2.gz NVYREMVXIIEOFR-UHFFFAOYSA-N 0 3 380.412 0.107 20 0 GCADHN Nc1cn(C(=O)c2cc(C(F)(F)F)n[nH]2)ccc1=NCCN1CCOCC1 ZINC001189519764 1206009002 /nfs/dbraw/zinc/00/90/02/1206009002.db2.gz NOHRDXJJIUOAQA-UHFFFAOYSA-N 0 3 384.362 0.734 20 0 GCADHN O=C(Cc1cc[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001110409814 1206009312 /nfs/dbraw/zinc/00/93/12/1206009312.db2.gz NCKSVTZGVLFIKP-SYQHCUMBSA-N 0 3 376.379 0.614 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)c3occc3Br)C2)OCC1=O ZINC001273585979 1206014711 /nfs/dbraw/zinc/01/47/11/1206014711.db2.gz MSMVXTHMTVWHJX-UHFFFAOYSA-N 0 3 386.246 0.657 20 0 GCADHN C[C@H](C(=O)NC[C@@]1(CO)COCCN1)N1CCC(Cc2ccccc2)CC1 ZINC001151817787 1206018644 /nfs/dbraw/zinc/01/86/44/1206018644.db2.gz UBQMAGZLQHUQIO-DYESRHJHSA-N 0 3 375.513 0.797 20 0 GCADHN CN(C)c1ncc(C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)cn1 ZINC001189856903 1206020152 /nfs/dbraw/zinc/02/01/52/1206020152.db2.gz LMYNIAYXHQQIGH-UHFFFAOYSA-N 0 3 382.468 0.793 20 0 GCADHN CN1[C@H](Cn2cncn2)C[C@@H]2CN(S(=O)(=O)c3ncc(F)cc3F)CC[C@@H]21 ZINC001190153498 1206028136 /nfs/dbraw/zinc/02/81/36/1206028136.db2.gz RDBASGJZOLPHIO-ZLDLUXBVSA-N 0 3 398.439 0.735 20 0 GCADHN CCOC(=O)CC[C@H](NC(=O)NCCCN1CCN(C)CC1)C(=O)OCC ZINC001190435590 1206034862 /nfs/dbraw/zinc/03/48/62/1206034862.db2.gz SQQNVFIMEOEZEI-HNNXBMFYSA-N 0 3 386.493 0.198 20 0 GCADHN CN1CCC(CO)(NC(=O)c2cc(I)c[nH]c2=O)CC1 ZINC001190617570 1206039098 /nfs/dbraw/zinc/03/90/98/1206039098.db2.gz GQWWBWHSWXJQGZ-UHFFFAOYSA-N 0 3 391.209 0.578 20 0 GCADHN CC(C)(C)NC(=O)NCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc[nH]n1)C2 ZINC001110430511 1206045480 /nfs/dbraw/zinc/04/54/80/1206045480.db2.gz FYIGEASORKKQQA-MCIONIFRSA-N 0 3 377.493 0.557 20 0 GCADHN Cc1csc(=O)n1CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nc[nH]n1)C2 ZINC001110434333 1206054751 /nfs/dbraw/zinc/05/47/51/1206054751.db2.gz PLCQNYSMTWTDEL-MCIONIFRSA-N 0 3 376.486 0.691 20 0 GCADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001164621585 719132553 /nfs/dbraw/zinc/13/25/53/719132553.db2.gz MUCUOXMEVQQXRC-JTQLQIEISA-N 0 3 391.806 0.463 20 0 GCADHN CNC(=O)CN1CCCC12CCN(c1ncc3c(n1)N(C)[C@H](C)C(=O)N3)CC2 ZINC001164685533 719721554 /nfs/dbraw/zinc/72/15/54/719721554.db2.gz MCCKCAJBYLTIFK-CYBMUJFWSA-N 0 3 387.488 0.434 20 0 GCADHN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncc2c(n1)CCNC2 ZINC001164703917 719844273 /nfs/dbraw/zinc/84/42/73/719844273.db2.gz REQUWYYBSCIQHM-HNAYVOBHSA-N 0 3 375.473 0.355 20 0 GCADHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ncc2c(n1)CCNC2 ZINC001164703915 719844320 /nfs/dbraw/zinc/84/43/20/719844320.db2.gz REQUWYYBSCIQHM-BEFAXECRSA-N 0 3 375.473 0.355 20 0 GCADHN Cc1nc(N(C)C)cc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)n1 ZINC001164704776 719935804 /nfs/dbraw/zinc/93/58/04/719935804.db2.gz RKFKLTDGXAECGC-UHFFFAOYSA-N 0 3 398.515 0.535 20 0 GCADHN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(N(C)C)nc(C)n3)C2)C1 ZINC001164720350 720218378 /nfs/dbraw/zinc/21/83/78/720218378.db2.gz YYDJGERSKAZLHW-IBGZPJMESA-N 0 3 376.505 0.516 20 0 GCADHN c1ncn(Cc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2)n1 ZINC001164739930 720763471 /nfs/dbraw/zinc/76/34/71/720763471.db2.gz JYIFPYFBCAMQQJ-DLBZAZTESA-N 0 3 378.440 0.853 20 0 GCADHN Cc1nc(-n2cncn2)cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164744029 720796450 /nfs/dbraw/zinc/79/64/50/720796450.db2.gz HECPPXFRQYERNN-HUUCEWRRSA-N 0 3 379.428 0.498 20 0 GCADHN CN1CC(=O)Nc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164862867 721105540 /nfs/dbraw/zinc/10/55/40/721105540.db2.gz BIRGMURIGHPGHU-CVEARBPZSA-N 0 3 395.467 0.740 20 0 GCADHN NS(=O)(=O)c1cccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870013 721189934 /nfs/dbraw/zinc/18/99/34/721189934.db2.gz SFTDGOGSJHOOLE-CVEARBPZSA-N 0 3 389.481 0.604 20 0 GCADHN NS(=O)(=O)c1cccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870020 721191002 /nfs/dbraw/zinc/19/10/02/721191002.db2.gz SFTDGOGSJHOOLE-HZPDHXFCSA-N 0 3 389.481 0.604 20 0 GCADHN Cn1ccc(CN2CCOCC23CCN(c2cc4c(nn2)CCNC4)CC3)n1 ZINC001164935194 721906619 /nfs/dbraw/zinc/90/66/19/721906619.db2.gz BWKAJEAMDBWFRP-UHFFFAOYSA-N 0 3 383.500 0.727 20 0 GCADHN O=C(c1cccnc1N1CCN(CCc2ccccn2)CC1)N1CCNCC1 ZINC001165055112 722014761 /nfs/dbraw/zinc/01/47/61/722014761.db2.gz DLOPAIPAODSFKS-UHFFFAOYSA-N 0 3 380.496 0.887 20 0 GCADHN O=C(Cn1cncn1)N1CC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001571258422 945354393 /nfs/dbraw/zinc/35/43/93/945354393.db2.gz QLDBDXQHGVVRCS-GFCCVEGCSA-N 0 3 385.407 0.236 20 0 GCADHN O=C(Cn1cncn1)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571258422 945354405 /nfs/dbraw/zinc/35/44/05/945354405.db2.gz QLDBDXQHGVVRCS-GFCCVEGCSA-N 0 3 385.407 0.236 20 0 GCADHN O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)[C@@H]1COC(=O)N1 ZINC001571260218 945410614 /nfs/dbraw/zinc/41/06/14/945410614.db2.gz YGZCVNNKCGZBID-KKUMJFAQSA-N 0 3 385.428 0.492 20 0 GCADHN O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)[C@@H]1COC(=O)N1 ZINC001571260218 945410619 /nfs/dbraw/zinc/41/06/19/945410619.db2.gz YGZCVNNKCGZBID-KKUMJFAQSA-N 0 3 385.428 0.492 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571263805 945467170 /nfs/dbraw/zinc/46/71/70/945467170.db2.gz BIELABMGGNBPRB-ZBFHGGJFSA-N 0 3 385.472 0.518 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571263805 945467181 /nfs/dbraw/zinc/46/71/81/945467181.db2.gz BIELABMGGNBPRB-ZBFHGGJFSA-N 0 3 385.472 0.518 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571263802 945467299 /nfs/dbraw/zinc/46/72/99/945467299.db2.gz BIELABMGGNBPRB-GDBMZVCRSA-N 0 3 385.472 0.518 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571263802 945467303 /nfs/dbraw/zinc/46/73/03/945467303.db2.gz BIELABMGGNBPRB-GDBMZVCRSA-N 0 3 385.472 0.518 20 0 GCADHN CN1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571264245 945479734 /nfs/dbraw/zinc/47/97/34/945479734.db2.gz JPKLGFNAJSEGKH-XIRDDKMYSA-N 0 3 385.472 0.182 20 0 GCADHN C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571264382 945482152 /nfs/dbraw/zinc/48/21/52/945482152.db2.gz NEBRLRMHOURALF-PBHICJAKSA-N 0 3 385.472 0.135 20 0 GCADHN C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571264382 945482156 /nfs/dbraw/zinc/48/21/56/945482156.db2.gz NEBRLRMHOURALF-PBHICJAKSA-N 0 3 385.472 0.135 20 0 GCADHN CCc1nc(NC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc(-c2nnn[n-]2)n1 ZINC001571265249 945504279 /nfs/dbraw/zinc/50/42/79/945504279.db2.gz DSDLHFPAMUXKGW-AWEZNQCLSA-N 0 3 385.476 0.716 20 0 GCADHN CCc1nc(NC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc(-c2nnn[n-]2)n1 ZINC001571265249 945504282 /nfs/dbraw/zinc/50/42/82/945504282.db2.gz DSDLHFPAMUXKGW-AWEZNQCLSA-N 0 3 385.476 0.716 20 0 GCADHN CCc1nc(NC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc(-c2nnn[n-]2)n1 ZINC001571265250 945504627 /nfs/dbraw/zinc/50/46/27/945504627.db2.gz DSDLHFPAMUXKGW-CQSZACIVSA-N 0 3 385.476 0.716 20 0 GCADHN CCc1nc(NC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc(-c2nnn[n-]2)n1 ZINC001571265250 945504630 /nfs/dbraw/zinc/50/46/30/945504630.db2.gz DSDLHFPAMUXKGW-CQSZACIVSA-N 0 3 385.476 0.716 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C[N@@H+]1C1CC1 ZINC000820657818 945511342 /nfs/dbraw/zinc/51/13/42/945511342.db2.gz MZOPJBLDEDKTCM-ZIAGYGMSSA-N 0 3 397.487 0.719 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C[N@H+]1C1CC1 ZINC000820657818 945511351 /nfs/dbraw/zinc/51/13/51/945511351.db2.gz MZOPJBLDEDKTCM-ZIAGYGMSSA-N 0 3 397.487 0.719 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265775 945521104 /nfs/dbraw/zinc/52/11/04/945521104.db2.gz JXENXIMMVNVOBT-DZGCQCFKSA-N 0 3 385.476 0.934 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265775 945521110 /nfs/dbraw/zinc/52/11/10/945521110.db2.gz JXENXIMMVNVOBT-DZGCQCFKSA-N 0 3 385.476 0.934 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265956 945526375 /nfs/dbraw/zinc/52/63/75/945526375.db2.gz LRZCMPCZQPSOOY-BBRMVZONSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265956 945526382 /nfs/dbraw/zinc/52/63/82/945526382.db2.gz LRZCMPCZQPSOOY-BBRMVZONSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265956 945526389 /nfs/dbraw/zinc/52/63/89/945526389.db2.gz LRZCMPCZQPSOOY-BBRMVZONSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265956 945526397 /nfs/dbraw/zinc/52/63/97/945526397.db2.gz LRZCMPCZQPSOOY-BBRMVZONSA-N 0 3 385.472 0.940 20 0 GCADHN C[N@H+](CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001571265997 945527425 /nfs/dbraw/zinc/52/74/25/945527425.db2.gz MMSKVOALDLTKRH-CQSZACIVSA-N 0 3 385.476 0.934 20 0 GCADHN C[N@@H+](CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001571265997 945527431 /nfs/dbraw/zinc/52/74/31/945527431.db2.gz MMSKVOALDLTKRH-CQSZACIVSA-N 0 3 385.476 0.934 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571266040 945529436 /nfs/dbraw/zinc/52/94/36/945529436.db2.gz UMOHSMKPUSAGQC-DZGCQCFKSA-N 0 3 385.476 0.934 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571266040 945529443 /nfs/dbraw/zinc/52/94/43/945529443.db2.gz UMOHSMKPUSAGQC-DZGCQCFKSA-N 0 3 385.476 0.934 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266470 945542969 /nfs/dbraw/zinc/54/29/69/945542969.db2.gz RKCBYZMDFQSPDE-DZGCQCFKSA-N 0 3 385.476 0.615 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266470 945542976 /nfs/dbraw/zinc/54/29/76/945542976.db2.gz RKCBYZMDFQSPDE-DZGCQCFKSA-N 0 3 385.476 0.615 20 0 GCADHN CCc1nc(N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571266742 945552346 /nfs/dbraw/zinc/55/23/46/945552346.db2.gz YKCUXUQZUSGCED-AVGNSLFASA-N 0 3 385.476 0.620 20 0 GCADHN CCc1nc(N[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571266742 945552356 /nfs/dbraw/zinc/55/23/56/945552356.db2.gz YKCUXUQZUSGCED-AVGNSLFASA-N 0 3 385.476 0.620 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571266730 945552661 /nfs/dbraw/zinc/55/26/61/945552661.db2.gz YBRXZFKDCMKVDW-UONOGXRCSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571266730 945552662 /nfs/dbraw/zinc/55/26/62/945552662.db2.gz YBRXZFKDCMKVDW-UONOGXRCSA-N 0 3 385.476 0.649 20 0 GCADHN Cc1nonc1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571267992 945584600 /nfs/dbraw/zinc/58/46/00/945584600.db2.gz KRSOAYQZUCEBCJ-GFCCVEGCSA-N 0 3 386.391 0.949 20 0 GCADHN Cc1nonc1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571267992 945584605 /nfs/dbraw/zinc/58/46/05/945584605.db2.gz KRSOAYQZUCEBCJ-GFCCVEGCSA-N 0 3 386.391 0.949 20 0 GCADHN Cn1c(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)c[nH]c1=O ZINC001571268002 945585962 /nfs/dbraw/zinc/58/59/62/945585962.db2.gz KZPLYIOUVJGSDV-LLVKDONJSA-N 0 3 386.391 0.449 20 0 GCADHN Cn1c(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)c[nH]c1=O ZINC001571268002 945585966 /nfs/dbraw/zinc/58/59/66/945585966.db2.gz KZPLYIOUVJGSDV-LLVKDONJSA-N 0 3 386.391 0.449 20 0 GCADHN Cc1nonc1C(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001571268507 945597882 /nfs/dbraw/zinc/59/78/82/945597882.db2.gz UQQOJFONEJSNQR-LLVKDONJSA-N 0 3 386.391 0.949 20 0 GCADHN Cc1nonc1C(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571268507 945597887 /nfs/dbraw/zinc/59/78/87/945597887.db2.gz UQQOJFONEJSNQR-LLVKDONJSA-N 0 3 386.391 0.949 20 0 GCADHN O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571269219 945615676 /nfs/dbraw/zinc/61/56/76/945615676.db2.gz SMSWGFLLKKOXRJ-UONOGXRCSA-N 0 3 386.435 0.755 20 0 GCADHN O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571269219 945615680 /nfs/dbraw/zinc/61/56/80/945615680.db2.gz SMSWGFLLKKOXRJ-UONOGXRCSA-N 0 3 386.435 0.755 20 0 GCADHN O=C(N[C@H]1CCC[N@H+](C[C@H]2CCNC(=O)CC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272861 945673997 /nfs/dbraw/zinc/67/39/97/945673997.db2.gz JOMFMSABVCANAI-OCCSQVGLSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@H]1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272861 945674000 /nfs/dbraw/zinc/67/40/00/945674000.db2.gz JOMFMSABVCANAI-OCCSQVGLSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@H]1CCC[N@H+](C[C@H]2CCNC(=O)CC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272861 945674004 /nfs/dbraw/zinc/67/40/04/945674004.db2.gz JOMFMSABVCANAI-OCCSQVGLSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(N[C@H]1CCC[N@@H+](C[C@H]2CCNC(=O)CC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272861 945674010 /nfs/dbraw/zinc/67/40/10/945674010.db2.gz JOMFMSABVCANAI-OCCSQVGLSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+]1C[C@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272979 945676405 /nfs/dbraw/zinc/67/64/05/945676405.db2.gz MCPBCHHEZZVPDS-OCCSQVGLSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+]1C[C@H]1CCNC(=O)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571272979 945676410 /nfs/dbraw/zinc/67/64/10/945676410.db2.gz MCPBCHHEZZVPDS-OCCSQVGLSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@@H+]1C[C@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272979 945676415 /nfs/dbraw/zinc/67/64/15/945676415.db2.gz MCPBCHHEZZVPDS-OCCSQVGLSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(NC[C@@H]1CCC[N@H+]1C[C@H]1CCNC(=O)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571272979 945676418 /nfs/dbraw/zinc/67/64/18/945676418.db2.gz MCPBCHHEZZVPDS-OCCSQVGLSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(C[NH2+][C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)N1CCCC1 ZINC001571273015 945676953 /nfs/dbraw/zinc/67/69/53/945676953.db2.gz NAHPAGJLQJSVET-JOCQHMNTSA-N 0 3 386.460 0.448 20 0 GCADHN C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571273281 945683293 /nfs/dbraw/zinc/68/32/93/945683293.db2.gz UQRKSJSQROXQMY-CQSZACIVSA-N 0 3 386.460 0.354 20 0 GCADHN C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571273281 945683300 /nfs/dbraw/zinc/68/33/00/945683300.db2.gz UQRKSJSQROXQMY-CQSZACIVSA-N 0 3 386.460 0.354 20 0 GCADHN C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571273281 945683309 /nfs/dbraw/zinc/68/33/09/945683309.db2.gz UQRKSJSQROXQMY-CQSZACIVSA-N 0 3 386.460 0.354 20 0 GCADHN C[N@H+]1CCC[C@@H]1CCC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571273281 945683314 /nfs/dbraw/zinc/68/33/14/945683314.db2.gz UQRKSJSQROXQMY-CQSZACIVSA-N 0 3 386.460 0.354 20 0 GCADHN C[N@H+](C[C@@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273328 945685692 /nfs/dbraw/zinc/68/56/92/945685692.db2.gz VNYRYUPQQDYESH-STQMWFEESA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273328 945685697 /nfs/dbraw/zinc/68/56/97/945685697.db2.gz VNYRYUPQQDYESH-STQMWFEESA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+](C[C@@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273328 945685703 /nfs/dbraw/zinc/68/57/03/945685703.db2.gz VNYRYUPQQDYESH-STQMWFEESA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273328 945685711 /nfs/dbraw/zinc/68/57/11/945685711.db2.gz VNYRYUPQQDYESH-STQMWFEESA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+](C[C@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273326 945686348 /nfs/dbraw/zinc/68/63/48/945686348.db2.gz VNYRYUPQQDYESH-OLZOCXBDSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273326 945686356 /nfs/dbraw/zinc/68/63/56/945686356.db2.gz VNYRYUPQQDYESH-OLZOCXBDSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+](C[C@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273326 945686362 /nfs/dbraw/zinc/68/63/62/945686362.db2.gz VNYRYUPQQDYESH-OLZOCXBDSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273326 945686371 /nfs/dbraw/zinc/68/63/71/945686371.db2.gz VNYRYUPQQDYESH-OLZOCXBDSA-N 0 3 386.460 0.257 20 0 GCADHN COCC(=O)N1CCC[C@H]2C[N@H+](Cc3ccc(OC)c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571275726 945713534 /nfs/dbraw/zinc/71/35/34/945713534.db2.gz BKRMRQXFWSCSGK-GOEBONIOSA-N 0 3 386.456 0.945 20 0 GCADHN COCC(=O)N1CCC[C@H]2C[N@@H+](Cc3ccc(OC)c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571275726 945713538 /nfs/dbraw/zinc/71/35/38/945713538.db2.gz BKRMRQXFWSCSGK-GOEBONIOSA-N 0 3 386.456 0.945 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)C2CC(OC)C2)C1 ZINC001571275702 945714640 /nfs/dbraw/zinc/71/46/40/945714640.db2.gz BBPAPOHCLOYYTN-SIWZUTFBSA-N 0 3 386.456 0.991 20 0 GCADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1COCCO1 ZINC001571275903 945718334 /nfs/dbraw/zinc/71/83/34/945718334.db2.gz FGHJLDPLKPGYDP-UAGQMJEPSA-N 0 3 386.456 0.657 20 0 GCADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1COCCO1 ZINC001571275903 945718344 /nfs/dbraw/zinc/71/83/44/945718344.db2.gz FGHJLDPLKPGYDP-UAGQMJEPSA-N 0 3 386.456 0.657 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571276322 945729216 /nfs/dbraw/zinc/72/92/16/945729216.db2.gz HNXYBAMLZYAXPR-MCIONIFRSA-N 0 3 387.419 0.208 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571278359 945750760 /nfs/dbraw/zinc/75/07/60/945750760.db2.gz YMUYIVRKSBEXBY-JHJVBQTASA-N 0 3 387.419 0.411 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571278359 945750769 /nfs/dbraw/zinc/75/07/69/945750769.db2.gz YMUYIVRKSBEXBY-JHJVBQTASA-N 0 3 387.419 0.411 20 0 GCADHN O=C(C[C@H]1CCOC1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571278527 945755955 /nfs/dbraw/zinc/75/59/55/945755955.db2.gz OZHFVDCKHGJQKU-WBVHZDCISA-N 0 3 386.456 0.610 20 0 GCADHN CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H](C)C2)C1=O ZINC001571278955 945765640 /nfs/dbraw/zinc/76/56/40/945765640.db2.gz SPUMGKNJLNQODM-KYOSRNDESA-N 0 3 386.460 0.113 20 0 GCADHN CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H](C)C2)C1=O ZINC001571278955 945765648 /nfs/dbraw/zinc/76/56/48/945765648.db2.gz SPUMGKNJLNQODM-KYOSRNDESA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1CN(C(=O)Cc2nnc[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571281595 945806942 /nfs/dbraw/zinc/80/69/42/945806942.db2.gz JNKJSQYSGYGHAR-QWRGUYRKSA-N 0 3 387.473 0.473 20 0 GCADHN CC[C@@H](C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)[NH+](C)C ZINC001571283181 945880007 /nfs/dbraw/zinc/88/00/07/945880007.db2.gz AZPAQUHQOIRCEV-ZFWWWQNUSA-N 0 3 387.492 0.672 20 0 GCADHN CC(C)[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)[NH+](C)C ZINC001571283338 945884061 /nfs/dbraw/zinc/88/40/61/945884061.db2.gz CUUQFDIDKJPMRN-MAUKXSAKSA-N 0 3 387.492 0.893 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573456305 945886902 /nfs/dbraw/zinc/88/69/02/945886902.db2.gz IMTCAAPBRZVHRZ-NSHDSACASA-N 0 3 391.451 0.857 20 0 GCADHN CCc1nc(N[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571284351 945900023 /nfs/dbraw/zinc/90/00/23/945900023.db2.gz ODMUBFFWVJPACS-OCCSQVGLSA-N 0 3 387.492 0.962 20 0 GCADHN CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)n1 ZINC001571284629 945902362 /nfs/dbraw/zinc/90/23/62/945902362.db2.gz RRUCCENYHWPTQU-CQSZACIVSA-N 0 3 387.492 0.598 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573457200 945903749 /nfs/dbraw/zinc/90/37/49/945903749.db2.gz SUEZUHRKFQQAPD-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573457200 945903754 /nfs/dbraw/zinc/90/37/54/945903754.db2.gz SUEZUHRKFQQAPD-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573461884 945924551 /nfs/dbraw/zinc/92/45/51/945924551.db2.gz SULBMEXBAHGQPJ-GHMZBOCLSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573461865 945924726 /nfs/dbraw/zinc/92/47/26/945924726.db2.gz SCUHTIADJWFZCZ-MRXNPFEDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573461865 945924729 /nfs/dbraw/zinc/92/47/29/945924729.db2.gz SCUHTIADJWFZCZ-MRXNPFEDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573461837 945925144 /nfs/dbraw/zinc/92/51/44/945925144.db2.gz RESXTTZPDUMDTF-MRXNPFEDSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573461837 945925147 /nfs/dbraw/zinc/92/51/47/945925147.db2.gz RESXTTZPDUMDTF-MRXNPFEDSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573462175 945932614 /nfs/dbraw/zinc/93/26/14/945932614.db2.gz BLPRQLDZYZGWIU-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573462175 945932621 /nfs/dbraw/zinc/93/26/21/945932621.db2.gz BLPRQLDZYZGWIU-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573462213 945933613 /nfs/dbraw/zinc/93/36/13/945933613.db2.gz CPXVFIGIGIRDAS-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573462213 945933624 /nfs/dbraw/zinc/93/36/24/945933624.db2.gz CPXVFIGIGIRDAS-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573462213 945933641 /nfs/dbraw/zinc/93/36/41/945933641.db2.gz CPXVFIGIGIRDAS-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573462213 945933647 /nfs/dbraw/zinc/93/36/47/945933647.db2.gz CPXVFIGIGIRDAS-HNNXBMFYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573462391 945939170 /nfs/dbraw/zinc/93/91/70/945939170.db2.gz IBMMJNBOMMFFMS-MRXNPFEDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573462391 945939180 /nfs/dbraw/zinc/93/91/80/945939180.db2.gz IBMMJNBOMMFFMS-MRXNPFEDSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573462650 945944975 /nfs/dbraw/zinc/94/49/75/945944975.db2.gz LQHYNGYQPJPEFO-UHFFFAOYSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC1CC(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573462650 945944988 /nfs/dbraw/zinc/94/49/88/945944988.db2.gz LQHYNGYQPJPEFO-UHFFFAOYSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573464198 945963646 /nfs/dbraw/zinc/96/36/46/945963646.db2.gz HNTHXPMLQAKRJO-ZWNOBZJWSA-N 0 3 391.501 0.779 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573464198 945963657 /nfs/dbraw/zinc/96/36/57/945963657.db2.gz HNTHXPMLQAKRJO-ZWNOBZJWSA-N 0 3 391.501 0.779 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573464591 945968347 /nfs/dbraw/zinc/96/83/47/945968347.db2.gz OHMAIGYSIXCOQD-SNVBAGLBSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573465246 945975090 /nfs/dbraw/zinc/97/50/90/945975090.db2.gz WXRKLGIHGQXFPA-JTQLQIEISA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573465246 945975096 /nfs/dbraw/zinc/97/50/96/945975096.db2.gz WXRKLGIHGQXFPA-JTQLQIEISA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573467924 945986187 /nfs/dbraw/zinc/98/61/87/945986187.db2.gz JHFKVLREVMFDKI-SJCJKPOMSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573467924 945986199 /nfs/dbraw/zinc/98/61/99/945986199.db2.gz JHFKVLREVMFDKI-SJCJKPOMSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC001573468178 945990181 /nfs/dbraw/zinc/99/01/81/945990181.db2.gz LMPNEBSCQLYIQS-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC001573468178 945990190 /nfs/dbraw/zinc/99/01/90/945990190.db2.gz LMPNEBSCQLYIQS-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573468149 945990258 /nfs/dbraw/zinc/99/02/58/945990258.db2.gz LDWKOYWOMUWNTO-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573468149 945990266 /nfs/dbraw/zinc/99/02/66/945990266.db2.gz LDWKOYWOMUWNTO-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573468330 945992817 /nfs/dbraw/zinc/99/28/17/945992817.db2.gz MKNKIXLLOFFWFL-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573468920 946000715 /nfs/dbraw/zinc/00/07/15/946000715.db2.gz RNESMLKPPJTFRR-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573468920 946000726 /nfs/dbraw/zinc/00/07/26/946000726.db2.gz RNESMLKPPJTFRR-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573469834 946010625 /nfs/dbraw/zinc/01/06/25/946010625.db2.gz XUTAPJBIGNUMJZ-GFCCVEGCSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573469834 946010639 /nfs/dbraw/zinc/01/06/39/946010639.db2.gz XUTAPJBIGNUMJZ-GFCCVEGCSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573469834 946010649 /nfs/dbraw/zinc/01/06/49/946010649.db2.gz XUTAPJBIGNUMJZ-GFCCVEGCSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573469834 946010664 /nfs/dbraw/zinc/01/06/64/946010664.db2.gz XUTAPJBIGNUMJZ-GFCCVEGCSA-N 0 3 391.451 0.811 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573469943 946015128 /nfs/dbraw/zinc/01/51/28/946015128.db2.gz YPQVLNLKDYGTNC-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573469943 946015139 /nfs/dbraw/zinc/01/51/39/946015139.db2.gz YPQVLNLKDYGTNC-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470380 946021268 /nfs/dbraw/zinc/02/12/68/946021268.db2.gz DJKVSMYSCARDHO-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470380 946021281 /nfs/dbraw/zinc/02/12/81/946021281.db2.gz DJKVSMYSCARDHO-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470421 946024723 /nfs/dbraw/zinc/02/47/23/946024723.db2.gz FCPNGFPBXFHPMF-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573470421 946024734 /nfs/dbraw/zinc/02/47/34/946024734.db2.gz FCPNGFPBXFHPMF-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470432 946026088 /nfs/dbraw/zinc/02/60/88/946026088.db2.gz FDKONHVMFGOYDO-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470432 946026097 /nfs/dbraw/zinc/02/60/97/946026097.db2.gz FDKONHVMFGOYDO-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470558 946027858 /nfs/dbraw/zinc/02/78/58/946027858.db2.gz GXCJVFWQIIAQGV-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470558 946027873 /nfs/dbraw/zinc/02/78/73/946027873.db2.gz GXCJVFWQIIAQGV-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470652 946034375 /nfs/dbraw/zinc/03/43/75/946034375.db2.gz IJKVXJSCZAFGSM-NHYWBVRUSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573470652 946034386 /nfs/dbraw/zinc/03/43/86/946034386.db2.gz IJKVXJSCZAFGSM-NHYWBVRUSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573470691 946034798 /nfs/dbraw/zinc/03/47/98/946034798.db2.gz ISSSFYUNEVOQJI-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573470691 946034812 /nfs/dbraw/zinc/03/48/12/946034812.db2.gz ISSSFYUNEVOQJI-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573470799 946036584 /nfs/dbraw/zinc/03/65/84/946036584.db2.gz JQZQGGVIXDSBFM-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573470799 946036595 /nfs/dbraw/zinc/03/65/95/946036595.db2.gz JQZQGGVIXDSBFM-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573470913 946039981 /nfs/dbraw/zinc/03/99/81/946039981.db2.gz KYZLVSKNXZPRTP-SMDDNHRTSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573470913 946039992 /nfs/dbraw/zinc/03/99/92/946039992.db2.gz KYZLVSKNXZPRTP-SMDDNHRTSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@H+](C)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573471083 946042200 /nfs/dbraw/zinc/04/22/00/946042200.db2.gz MAPGXELOJLUZKF-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573471083 946042213 /nfs/dbraw/zinc/04/22/13/946042213.db2.gz MAPGXELOJLUZKF-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@H+](C)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573471083 946042226 /nfs/dbraw/zinc/04/22/26/946042226.db2.gz MAPGXELOJLUZKF-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573471083 946042239 /nfs/dbraw/zinc/04/22/39/946042239.db2.gz MAPGXELOJLUZKF-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573471228 946045462 /nfs/dbraw/zinc/04/54/62/946045462.db2.gz NHSREHHXWAOKKM-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573471228 946045476 /nfs/dbraw/zinc/04/54/76/946045476.db2.gz NHSREHHXWAOKKM-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573471379 946049592 /nfs/dbraw/zinc/04/95/92/946049592.db2.gz OJBHUUJIPMSMCA-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573471379 946049607 /nfs/dbraw/zinc/04/96/07/946049607.db2.gz OJBHUUJIPMSMCA-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573471700 946056436 /nfs/dbraw/zinc/05/64/36/946056436.db2.gz QKCAQCYZCIIGRY-ZWNOBZJWSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573472632 946068370 /nfs/dbraw/zinc/06/83/70/946068370.db2.gz WSHCIGILTMRWLM-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573472632 946068381 /nfs/dbraw/zinc/06/83/81/946068381.db2.gz WSHCIGILTMRWLM-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573472945 946071734 /nfs/dbraw/zinc/07/17/34/946071734.db2.gz YCWMGSFBJMDPJW-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573472934 946072174 /nfs/dbraw/zinc/07/21/74/946072174.db2.gz XZELEDSNQNRGJR-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573472934 946072182 /nfs/dbraw/zinc/07/21/82/946072182.db2.gz XZELEDSNQNRGJR-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573472997 946074972 /nfs/dbraw/zinc/07/49/72/946074972.db2.gz YUQYLAHIGFFKHS-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573472997 946074986 /nfs/dbraw/zinc/07/49/86/946074986.db2.gz YUQYLAHIGFFKHS-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573473171 946077385 /nfs/dbraw/zinc/07/73/85/946077385.db2.gz ZZHPLAUPMJDINX-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573473171 946077396 /nfs/dbraw/zinc/07/73/96/946077396.db2.gz ZZHPLAUPMJDINX-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573473179 946078145 /nfs/dbraw/zinc/07/81/45/946078145.db2.gz ZZYAUKFVUTZHLJ-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573473179 946078157 /nfs/dbraw/zinc/07/81/57/946078157.db2.gz ZZYAUKFVUTZHLJ-NSHDSACASA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573473684 946082021 /nfs/dbraw/zinc/08/20/21/946082021.db2.gz FDGLFARLYHATAE-PBFPGSCMSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573473684 946082032 /nfs/dbraw/zinc/08/20/32/946082032.db2.gz FDGLFARLYHATAE-PBFPGSCMSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573473950 946085952 /nfs/dbraw/zinc/08/59/52/946085952.db2.gz HIFMJKXIRSQFOY-GLKRBJQHSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573475804 946105970 /nfs/dbraw/zinc/10/59/70/946105970.db2.gz AZOGNMPKUYMFFU-XJKSGUPXSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573475804 946105974 /nfs/dbraw/zinc/10/59/74/946105974.db2.gz AZOGNMPKUYMFFU-XJKSGUPXSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573475804 946105981 /nfs/dbraw/zinc/10/59/81/946105981.db2.gz AZOGNMPKUYMFFU-XJKSGUPXSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573475804 946105992 /nfs/dbraw/zinc/10/59/92/946105992.db2.gz AZOGNMPKUYMFFU-XJKSGUPXSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573476394 946118474 /nfs/dbraw/zinc/11/84/74/946118474.db2.gz GHSZQFQGXXSDNN-VLRKGOCCSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573477039 946127385 /nfs/dbraw/zinc/12/73/85/946127385.db2.gz LOACNRMEBOTHOW-QWRGUYRKSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573477039 946127395 /nfs/dbraw/zinc/12/73/95/946127395.db2.gz LOACNRMEBOTHOW-QWRGUYRKSA-N 0 3 377.424 0.372 20 0 GCADHN Cn1cc(C[C@@H]2CC[N@H+](C[C@H](O)COc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822673876 946152274 /nfs/dbraw/zinc/15/22/74/946152274.db2.gz FHDIGRORWLWFLH-YOEHRIQHSA-N 0 3 383.456 0.905 20 0 GCADHN Cn1cc(C[C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822673876 946152282 /nfs/dbraw/zinc/15/22/82/946152282.db2.gz FHDIGRORWLWFLH-YOEHRIQHSA-N 0 3 383.456 0.905 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573479376 946158361 /nfs/dbraw/zinc/15/83/61/946158361.db2.gz CDPOOCCCGLWWHX-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573479404 946159421 /nfs/dbraw/zinc/15/94/21/946159421.db2.gz CMRKQAKCMVDQRW-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573479404 946159428 /nfs/dbraw/zinc/15/94/28/946159428.db2.gz CMRKQAKCMVDQRW-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573479827 946167539 /nfs/dbraw/zinc/16/75/39/946167539.db2.gz HTDVGYITOYAKHF-BZNIZROVSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573479827 946167544 /nfs/dbraw/zinc/16/75/44/946167544.db2.gz HTDVGYITOYAKHF-BZNIZROVSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573480603 946175567 /nfs/dbraw/zinc/17/55/67/946175567.db2.gz LHMOSOMDYWBJGR-ZDUSSCGKSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573480603 946175571 /nfs/dbraw/zinc/17/55/71/946175571.db2.gz LHMOSOMDYWBJGR-ZDUSSCGKSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573480717 946178424 /nfs/dbraw/zinc/17/84/24/946178424.db2.gz MCYFWERZOWEQQN-CYBMUJFWSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCCC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573480717 946178432 /nfs/dbraw/zinc/17/84/32/946178432.db2.gz MCYFWERZOWEQQN-CYBMUJFWSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573481379 946181728 /nfs/dbraw/zinc/18/17/28/946181728.db2.gz OPAJKZPNNREGJE-JTQLQIEISA-N 0 3 375.408 0.269 20 0 GCADHN O=C([C@@H]1COCCO1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571296250 946189663 /nfs/dbraw/zinc/18/96/63/946189663.db2.gz RVQFZWBQPOHSGI-CJNGLKHVSA-N 0 3 390.419 0.502 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573482647 946201863 /nfs/dbraw/zinc/20/18/63/946201863.db2.gz ZKKLODIPDANTLR-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573482647 946201871 /nfs/dbraw/zinc/20/18/71/946201871.db2.gz ZKKLODIPDANTLR-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573482854 946203795 /nfs/dbraw/zinc/20/37/95/946203795.db2.gz AUWPHPFYJIAFLT-JCURWCKSSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573482854 946203803 /nfs/dbraw/zinc/20/38/03/946203803.db2.gz AUWPHPFYJIAFLT-JCURWCKSSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573484519 946218749 /nfs/dbraw/zinc/21/87/49/946218749.db2.gz MHGXRWSXYLWDHV-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573484519 946218757 /nfs/dbraw/zinc/21/87/57/946218757.db2.gz MHGXRWSXYLWDHV-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573484519 946218767 /nfs/dbraw/zinc/21/87/67/946218767.db2.gz MHGXRWSXYLWDHV-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573484519 946218779 /nfs/dbraw/zinc/21/87/79/946218779.db2.gz MHGXRWSXYLWDHV-DZGCQCFKSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573484975 946221297 /nfs/dbraw/zinc/22/12/97/946221297.db2.gz OPEYILOWKDUUCA-PBFPGSCMSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573484975 946221308 /nfs/dbraw/zinc/22/13/08/946221308.db2.gz OPEYILOWKDUUCA-PBFPGSCMSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573484975 946221316 /nfs/dbraw/zinc/22/13/16/946221316.db2.gz OPEYILOWKDUUCA-PBFPGSCMSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573484975 946221324 /nfs/dbraw/zinc/22/13/24/946221324.db2.gz OPEYILOWKDUUCA-PBFPGSCMSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573484966 946221692 /nfs/dbraw/zinc/22/16/92/946221692.db2.gz OKOODEUQUDWOCV-JCURWCKSSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573484966 946221705 /nfs/dbraw/zinc/22/17/05/946221705.db2.gz OKOODEUQUDWOCV-JCURWCKSSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573486672 946244389 /nfs/dbraw/zinc/24/43/89/946244389.db2.gz IGNFLGLDTGHWHG-HERUPUMHSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573486672 946244397 /nfs/dbraw/zinc/24/43/97/946244397.db2.gz IGNFLGLDTGHWHG-HERUPUMHSA-N 0 3 375.408 0.267 20 0 GCADHN NC(=O)[C@H]1C[NH+](Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C[C@@H]1C(N)=O ZINC001571303567 946338524 /nfs/dbraw/zinc/33/85/24/946338524.db2.gz NPVLBVUVSGFWOI-IRXDYDNUSA-N 0 3 391.435 0.552 20 0 GCADHN NC(=O)[C@H]1C[NH+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C[C@@H]1C(N)=O ZINC001571303567 946338538 /nfs/dbraw/zinc/33/85/38/946338538.db2.gz NPVLBVUVSGFWOI-IRXDYDNUSA-N 0 3 391.435 0.552 20 0 GCADHN CC(=O)NCC(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573497598 946353027 /nfs/dbraw/zinc/35/30/27/946353027.db2.gz SZHNNTRYBXSAKZ-UHFFFAOYSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573497598 946353032 /nfs/dbraw/zinc/35/30/32/946353032.db2.gz SZHNNTRYBXSAKZ-UHFFFAOYSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573498901 946362873 /nfs/dbraw/zinc/36/28/73/946362873.db2.gz AJUOUCCRQIFCPD-XHDPSFHLSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573498901 946362879 /nfs/dbraw/zinc/36/28/79/946362879.db2.gz AJUOUCCRQIFCPD-XHDPSFHLSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C(C)(C)C1 ZINC001573498925 946364682 /nfs/dbraw/zinc/36/46/82/946364682.db2.gz AVQVUYARCMOREN-OAHLLOKOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573499717 946369849 /nfs/dbraw/zinc/36/98/49/946369849.db2.gz FWNYMVDQUYOGAZ-BMIGLBTASA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573500478 946375436 /nfs/dbraw/zinc/37/54/36/946375436.db2.gz KJBXPRMKMPCGNJ-OAHLLOKOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573500478 946375447 /nfs/dbraw/zinc/37/54/47/946375447.db2.gz KJBXPRMKMPCGNJ-OAHLLOKOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573501966 946383734 /nfs/dbraw/zinc/38/37/34/946383734.db2.gz TTZMGPABZTYIHJ-BONVTDFDSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573501966 946383744 /nfs/dbraw/zinc/38/37/44/946383744.db2.gz TTZMGPABZTYIHJ-BONVTDFDSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573502069 946384209 /nfs/dbraw/zinc/38/42/09/946384209.db2.gz UYDXUVXPKMKSJK-BONVTDFDSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573502069 946384220 /nfs/dbraw/zinc/38/42/20/946384220.db2.gz UYDXUVXPKMKSJK-BONVTDFDSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573503621 946393001 /nfs/dbraw/zinc/39/30/01/946393001.db2.gz AQMYAPMAXFFNLT-NVXWUHKLSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573503621 946393010 /nfs/dbraw/zinc/39/30/10/946393010.db2.gz AQMYAPMAXFFNLT-NVXWUHKLSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573503621 946393021 /nfs/dbraw/zinc/39/30/21/946393021.db2.gz AQMYAPMAXFFNLT-NVXWUHKLSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573503621 946393031 /nfs/dbraw/zinc/39/30/31/946393031.db2.gz AQMYAPMAXFFNLT-NVXWUHKLSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573503594 946394551 /nfs/dbraw/zinc/39/45/51/946394551.db2.gz AOFMHXLPGBAHGP-UHFFFAOYSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573503594 946394562 /nfs/dbraw/zinc/39/45/62/946394562.db2.gz AOFMHXLPGBAHGP-UHFFFAOYSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573503684 946396276 /nfs/dbraw/zinc/39/62/76/946396276.db2.gz BCBCKMUXQKEBDX-ZDUSSCGKSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573504255 946409104 /nfs/dbraw/zinc/40/91/04/946409104.db2.gz GHRVXJZPQIYGPV-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573504255 946409109 /nfs/dbraw/zinc/40/91/09/946409109.db2.gz GHRVXJZPQIYGPV-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573505618 946421184 /nfs/dbraw/zinc/42/11/84/946421184.db2.gz LZFXTLVJIGSIOZ-AWEZNQCLSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573505618 946421188 /nfs/dbraw/zinc/42/11/88/946421188.db2.gz LZFXTLVJIGSIOZ-AWEZNQCLSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573505619 946421662 /nfs/dbraw/zinc/42/16/62/946421662.db2.gz LZFXTLVJIGSIOZ-CQSZACIVSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573505619 946421673 /nfs/dbraw/zinc/42/16/73/946421673.db2.gz LZFXTLVJIGSIOZ-CQSZACIVSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](CN(C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573505815 946423349 /nfs/dbraw/zinc/42/33/49/946423349.db2.gz OKULBZQVQXSRGX-ZDUSSCGKSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573505665 946423478 /nfs/dbraw/zinc/42/34/78/946423478.db2.gz MTADPDFEEHHHHL-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573505665 946423486 /nfs/dbraw/zinc/42/34/86/946423486.db2.gz MTADPDFEEHHHHL-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573505663 946424624 /nfs/dbraw/zinc/42/46/24/946424624.db2.gz MTADPDFEEHHHHL-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573505663 946424634 /nfs/dbraw/zinc/42/46/34/946424634.db2.gz MTADPDFEEHHHHL-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573506022 946428053 /nfs/dbraw/zinc/42/80/53/946428053.db2.gz NVWAGGXMQVFJNA-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573506022 946428054 /nfs/dbraw/zinc/42/80/54/946428054.db2.gz NVWAGGXMQVFJNA-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573506022 946428056 /nfs/dbraw/zinc/42/80/56/946428056.db2.gz NVWAGGXMQVFJNA-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573506022 946428058 /nfs/dbraw/zinc/42/80/58/946428058.db2.gz NVWAGGXMQVFJNA-SJORKVTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573506019 946428114 /nfs/dbraw/zinc/42/81/14/946428114.db2.gz NVWAGGXMQVFJNA-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001573506019 946428118 /nfs/dbraw/zinc/42/81/18/946428118.db2.gz NVWAGGXMQVFJNA-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573506019 946428121 /nfs/dbraw/zinc/42/81/21/946428121.db2.gz NVWAGGXMQVFJNA-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573506019 946428124 /nfs/dbraw/zinc/42/81/24/946428124.db2.gz NVWAGGXMQVFJNA-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573506765 946437236 /nfs/dbraw/zinc/43/72/36/946437236.db2.gz SZXYGISDWKFXNM-GOSISDBHSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573506765 946437244 /nfs/dbraw/zinc/43/72/44/946437244.db2.gz SZXYGISDWKFXNM-GOSISDBHSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)[C@@H](C)C1 ZINC001573507093 946443910 /nfs/dbraw/zinc/44/39/10/946443910.db2.gz WOLMUNQNUSFXRH-MEDUHNTESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)[C@@H](C)C1 ZINC001573507093 946443913 /nfs/dbraw/zinc/44/39/13/946443913.db2.gz WOLMUNQNUSFXRH-MEDUHNTESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573507409 946445444 /nfs/dbraw/zinc/44/54/44/946445444.db2.gz XSQSTUAUDFMKLW-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573507409 946445454 /nfs/dbraw/zinc/44/54/54/946445454.db2.gz XSQSTUAUDFMKLW-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C)([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573507209 946446004 /nfs/dbraw/zinc/44/60/04/946446004.db2.gz XFZITHVGVPKYPH-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C)([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573507209 946446015 /nfs/dbraw/zinc/44/60/15/946446015.db2.gz XFZITHVGVPKYPH-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573507490 946446965 /nfs/dbraw/zinc/44/69/65/946446965.db2.gz YLQGMRZYUZAANU-CJNGLKHVSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573507490 946446970 /nfs/dbraw/zinc/44/69/70/946446970.db2.gz YLQGMRZYUZAANU-CJNGLKHVSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573507495 946447940 /nfs/dbraw/zinc/44/79/40/946447940.db2.gz YLQGMRZYUZAANU-XJKSGUPXSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573507495 946447944 /nfs/dbraw/zinc/44/79/44/946447944.db2.gz YLQGMRZYUZAANU-XJKSGUPXSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573507604 946447985 /nfs/dbraw/zinc/44/79/85/946447985.db2.gz ZSAIMSQOALPJOP-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573507604 946447988 /nfs/dbraw/zinc/44/79/88/946447988.db2.gz ZSAIMSQOALPJOP-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573507731 946450699 /nfs/dbraw/zinc/45/06/99/946450699.db2.gz XIZNKSUSIFEWQZ-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573507731 946450705 /nfs/dbraw/zinc/45/07/05/946450705.db2.gz XIZNKSUSIFEWQZ-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573510072 946472162 /nfs/dbraw/zinc/47/21/62/946472162.db2.gz XWTLRMAGEKHXIJ-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573510072 946472167 /nfs/dbraw/zinc/47/21/67/946472167.db2.gz XWTLRMAGEKHXIJ-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573510072 946472172 /nfs/dbraw/zinc/47/21/72/946472172.db2.gz XWTLRMAGEKHXIJ-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573510072 946472178 /nfs/dbraw/zinc/47/21/78/946472178.db2.gz XWTLRMAGEKHXIJ-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573510713 946479257 /nfs/dbraw/zinc/47/92/57/946479257.db2.gz JYUSGCJRCJKVFZ-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573510713 946479263 /nfs/dbraw/zinc/47/92/63/946479263.db2.gz JYUSGCJRCJKVFZ-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573510502 946480149 /nfs/dbraw/zinc/48/01/49/946480149.db2.gz IUEKYVWXZJNEGD-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573510502 946480153 /nfs/dbraw/zinc/48/01/53/946480153.db2.gz IUEKYVWXZJNEGD-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573510502 946480155 /nfs/dbraw/zinc/48/01/55/946480155.db2.gz IUEKYVWXZJNEGD-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573510502 946480159 /nfs/dbraw/zinc/48/01/59/946480159.db2.gz IUEKYVWXZJNEGD-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573511040 946481703 /nfs/dbraw/zinc/48/17/03/946481703.db2.gz MCEIRVYMCQVJLD-LLVKDONJSA-N 0 3 377.424 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573511498 946486840 /nfs/dbraw/zinc/48/68/40/946486840.db2.gz AWGNEQJCNXIPAR-DOMZBBRYSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573511498 946486845 /nfs/dbraw/zinc/48/68/45/946486845.db2.gz AWGNEQJCNXIPAR-DOMZBBRYSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573512101 946493343 /nfs/dbraw/zinc/49/33/43/946493343.db2.gz DZEAUSAFROFIER-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573512101 946493348 /nfs/dbraw/zinc/49/33/48/946493348.db2.gz DZEAUSAFROFIER-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573512101 946493355 /nfs/dbraw/zinc/49/33/55/946493355.db2.gz DZEAUSAFROFIER-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573512101 946493364 /nfs/dbraw/zinc/49/33/64/946493364.db2.gz DZEAUSAFROFIER-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573512142 946493480 /nfs/dbraw/zinc/49/34/80/946493480.db2.gz UVIJRCXXRQXTKO-BEFAXECRSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573512142 946493485 /nfs/dbraw/zinc/49/34/85/946493485.db2.gz UVIJRCXXRQXTKO-BEFAXECRSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573512142 946493493 /nfs/dbraw/zinc/49/34/93/946493493.db2.gz UVIJRCXXRQXTKO-BEFAXECRSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573512142 946493501 /nfs/dbraw/zinc/49/35/01/946493501.db2.gz UVIJRCXXRQXTKO-BEFAXECRSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573512206 946496247 /nfs/dbraw/zinc/49/62/47/946496247.db2.gz WDYHOZUZQJKDCF-GOSISDBHSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001573512206 946496257 /nfs/dbraw/zinc/49/62/57/946496257.db2.gz WDYHOZUZQJKDCF-GOSISDBHSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@]2(C)C1 ZINC001573512491 946501686 /nfs/dbraw/zinc/50/16/86/946501686.db2.gz XGGHROMTTJASHZ-APWZRJJASA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@]2(C)C1 ZINC001573512491 946501691 /nfs/dbraw/zinc/50/16/91/946501691.db2.gz XGGHROMTTJASHZ-APWZRJJASA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@]2(C)C1 ZINC001573512491 946501698 /nfs/dbraw/zinc/50/16/98/946501698.db2.gz XGGHROMTTJASHZ-APWZRJJASA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@]2(C)C1 ZINC001573512491 946501703 /nfs/dbraw/zinc/50/17/03/946501703.db2.gz XGGHROMTTJASHZ-APWZRJJASA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C12CCC2 ZINC001573513050 946507589 /nfs/dbraw/zinc/50/75/89/946507589.db2.gz KGNCCZMZRMOAAV-JKSUJKDBSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C12CCC2 ZINC001573513050 946507599 /nfs/dbraw/zinc/50/75/99/946507599.db2.gz KGNCCZMZRMOAAV-JKSUJKDBSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573513628 946512431 /nfs/dbraw/zinc/51/24/31/946512431.db2.gz OSBLAKSXUPIYCP-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC1CC(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573513628 946512441 /nfs/dbraw/zinc/51/24/41/946512441.db2.gz OSBLAKSXUPIYCP-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573514179 946521258 /nfs/dbraw/zinc/52/12/58/946521258.db2.gz UNABCYOVHABEBJ-KGLIPLIRSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573514179 946521266 /nfs/dbraw/zinc/52/12/66/946521266.db2.gz UNABCYOVHABEBJ-KGLIPLIRSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC12CC[NH+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573514227 946524051 /nfs/dbraw/zinc/52/40/51/946524051.db2.gz VPINNFBXXZBMST-INIZCTEOSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC12CC[NH+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573514227 946524065 /nfs/dbraw/zinc/52/40/65/946524065.db2.gz VPINNFBXXZBMST-INIZCTEOSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)NC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573514307 946524823 /nfs/dbraw/zinc/52/48/23/946524823.db2.gz WYOMRYSCAFDXCE-UHFFFAOYSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)NC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573514307 946524833 /nfs/dbraw/zinc/52/48/33/946524833.db2.gz WYOMRYSCAFDXCE-UHFFFAOYSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573514298 946526407 /nfs/dbraw/zinc/52/64/07/946526407.db2.gz WUCLPBLPZVJUMT-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573514298 946526411 /nfs/dbraw/zinc/52/64/11/946526411.db2.gz WUCLPBLPZVJUMT-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573514298 946526415 /nfs/dbraw/zinc/52/64/15/946526415.db2.gz WUCLPBLPZVJUMT-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573514298 946526416 /nfs/dbraw/zinc/52/64/16/946526416.db2.gz WUCLPBLPZVJUMT-VQIMIIECSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001573517720 946579688 /nfs/dbraw/zinc/57/96/88/946579688.db2.gz QBCIFIWTCWXMRN-UHFFFAOYSA-N 0 3 385.472 0.912 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001573517720 946579692 /nfs/dbraw/zinc/57/96/92/946579692.db2.gz QBCIFIWTCWXMRN-UHFFFAOYSA-N 0 3 385.472 0.912 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001573518010 946584832 /nfs/dbraw/zinc/58/48/32/946584832.db2.gz VHGATOXVHAFXCV-MRXNPFEDSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001573518010 946584842 /nfs/dbraw/zinc/58/48/42/946584842.db2.gz VHGATOXVHAFXCV-MRXNPFEDSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001573518010 946584848 /nfs/dbraw/zinc/58/48/48/946584848.db2.gz VHGATOXVHAFXCV-MRXNPFEDSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001573518010 946584857 /nfs/dbraw/zinc/58/48/57/946584857.db2.gz VHGATOXVHAFXCV-MRXNPFEDSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573520241 946592247 /nfs/dbraw/zinc/59/22/47/946592247.db2.gz FJCHOTJHFJDHFN-YEORSEQZSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573520241 946592258 /nfs/dbraw/zinc/59/22/58/946592258.db2.gz FJCHOTJHFJDHFN-YEORSEQZSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573521193 946605603 /nfs/dbraw/zinc/60/56/03/946605603.db2.gz TYQCNNYKHNFBQB-JOCQHMNTSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573521193 946605606 /nfs/dbraw/zinc/60/56/06/946605606.db2.gz TYQCNNYKHNFBQB-JOCQHMNTSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573521499 946608980 /nfs/dbraw/zinc/60/89/80/946608980.db2.gz YDCJSUBQZKHTQD-SWLSCSKDSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573521499 946608985 /nfs/dbraw/zinc/60/89/85/946608985.db2.gz YDCJSUBQZKHTQD-SWLSCSKDSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573521786 946613732 /nfs/dbraw/zinc/61/37/32/946613732.db2.gz GLVPANYUPDBBPB-HDJSIYSDSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573521786 946613738 /nfs/dbraw/zinc/61/37/38/946613738.db2.gz GLVPANYUPDBBPB-HDJSIYSDSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573523921 946640647 /nfs/dbraw/zinc/64/06/47/946640647.db2.gz YCCVKQRZVWPXBY-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573523921 946640655 /nfs/dbraw/zinc/64/06/55/946640655.db2.gz YCCVKQRZVWPXBY-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573527949 946652557 /nfs/dbraw/zinc/65/25/57/946652557.db2.gz MVRIYQIVNLOJAX-WKILWMFISA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573527949 946652563 /nfs/dbraw/zinc/65/25/63/946652563.db2.gz MVRIYQIVNLOJAX-WKILWMFISA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573528072 946655616 /nfs/dbraw/zinc/65/56/16/946655616.db2.gz SNJLFGJALIJMMM-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573535721 946725512 /nfs/dbraw/zinc/72/55/12/946725512.db2.gz HLOSKBVKTZTXFB-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573537413 946746856 /nfs/dbraw/zinc/74/68/56/946746856.db2.gz NSNHQDRSIRGPKU-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824591649 946841977 /nfs/dbraw/zinc/84/19/77/946841977.db2.gz JNNQRLZUUNRIGI-ZDUSSCGKSA-N 0 3 379.490 0.095 20 0 GCADHN C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824591649 946841989 /nfs/dbraw/zinc/84/19/89/946841989.db2.gz JNNQRLZUUNRIGI-ZDUSSCGKSA-N 0 3 379.490 0.095 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000824753934 946925493 /nfs/dbraw/zinc/92/54/93/946925493.db2.gz GBEIMGMYJKCECR-CYBMUJFWSA-N 0 3 397.439 0.996 20 0 GCADHN C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000824753935 946927096 /nfs/dbraw/zinc/92/70/96/946927096.db2.gz GBEIMGMYJKCECR-ZDUSSCGKSA-N 0 3 397.439 0.996 20 0 GCADHN C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826018268 947404305 /nfs/dbraw/zinc/40/43/05/947404305.db2.gz UFDYZVAOBAJODI-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826018268 947404310 /nfs/dbraw/zinc/40/43/10/947404310.db2.gz UFDYZVAOBAJODI-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826018268 947404316 /nfs/dbraw/zinc/40/43/16/947404316.db2.gz UFDYZVAOBAJODI-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826018268 947404323 /nfs/dbraw/zinc/40/43/23/947404323.db2.gz UFDYZVAOBAJODI-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[C@@H](C(=O)N(C)C)[N@H+](C)CC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573594935 947410486 /nfs/dbraw/zinc/41/04/86/947410486.db2.gz UWSCIQYTGICABA-LBPRGKRZSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@@H](C(=O)N(C)C)[N@@H+](C)CC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573594935 947410491 /nfs/dbraw/zinc/41/04/91/947410491.db2.gz UWSCIQYTGICABA-LBPRGKRZSA-N 0 3 388.476 0.456 20 0 GCADHN C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573595710 947424825 /nfs/dbraw/zinc/42/48/25/947424825.db2.gz ZZARVHHZPKPCQP-JHJVBQTASA-N 0 3 388.476 0.359 20 0 GCADHN C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573595710 947424830 /nfs/dbraw/zinc/42/48/30/947424830.db2.gz ZZARVHHZPKPCQP-JHJVBQTASA-N 0 3 388.476 0.359 20 0 GCADHN C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573595710 947424836 /nfs/dbraw/zinc/42/48/36/947424836.db2.gz ZZARVHHZPKPCQP-JHJVBQTASA-N 0 3 388.476 0.359 20 0 GCADHN C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573595710 947424843 /nfs/dbraw/zinc/42/48/43/947424843.db2.gz ZZARVHHZPKPCQP-JHJVBQTASA-N 0 3 388.476 0.359 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccn1 ZINC001573596806 947432410 /nfs/dbraw/zinc/43/24/10/947432410.db2.gz LFZPUIYMBQWGPO-BBRMVZONSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC001573596806 947432414 /nfs/dbraw/zinc/43/24/14/947432414.db2.gz LFZPUIYMBQWGPO-BBRMVZONSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC001573597285 947433953 /nfs/dbraw/zinc/43/39/53/947433953.db2.gz MRZPHQMQAAJTEG-RHSMWYFYSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC001573597285 947433959 /nfs/dbraw/zinc/43/39/59/947433959.db2.gz MRZPHQMQAAJTEG-RHSMWYFYSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC001573603209 947482512 /nfs/dbraw/zinc/48/25/12/947482512.db2.gz DWJFIYHICPIJNN-NSHDSACASA-N 0 3 386.378 0.976 20 0 GCADHN C[C@@H](C(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC001573603209 947482524 /nfs/dbraw/zinc/48/25/24/947482524.db2.gz DWJFIYHICPIJNN-NSHDSACASA-N 0 3 386.378 0.976 20 0 GCADHN C[C@@H](C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCCCC1 ZINC001573607310 947545202 /nfs/dbraw/zinc/54/52/02/947545202.db2.gz JIHZUBWXXSUZDZ-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[NH+]1CCCCCC1 ZINC001573607874 947554274 /nfs/dbraw/zinc/55/42/74/947554274.db2.gz SYKRLGQBVIORBJ-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573616743 947627393 /nfs/dbraw/zinc/62/73/93/947627393.db2.gz NGFVRHLGUHFUQF-OCCSQVGLSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573616743 947627395 /nfs/dbraw/zinc/62/73/95/947627395.db2.gz NGFVRHLGUHFUQF-OCCSQVGLSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573622608 947680504 /nfs/dbraw/zinc/68/05/04/947680504.db2.gz BKXPBUKSNVTIFY-GFCCVEGCSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573622608 947680508 /nfs/dbraw/zinc/68/05/08/947680508.db2.gz BKXPBUKSNVTIFY-GFCCVEGCSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCCC1 ZINC001573625234 947698821 /nfs/dbraw/zinc/69/88/21/947698821.db2.gz OOYJGUIDEHYFNB-KGLIPLIRSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573627088 947716348 /nfs/dbraw/zinc/71/63/48/947716348.db2.gz YNROIMGIHQIKSC-CYBMUJFWSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573627088 947716357 /nfs/dbraw/zinc/71/63/57/947716357.db2.gz YNROIMGIHQIKSC-CYBMUJFWSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573627089 947716828 /nfs/dbraw/zinc/71/68/28/947716828.db2.gz YNROIMGIHQIKSC-ZDUSSCGKSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573627089 947716833 /nfs/dbraw/zinc/71/68/33/947716833.db2.gz YNROIMGIHQIKSC-ZDUSSCGKSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573632050 947806868 /nfs/dbraw/zinc/80/68/68/947806868.db2.gz YHQLUKPTLAMDDJ-ZFWWWQNUSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573632050 947806878 /nfs/dbraw/zinc/80/68/78/947806878.db2.gz YHQLUKPTLAMDDJ-ZFWWWQNUSA-N 0 3 381.444 0.800 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC001573387837 947912795 /nfs/dbraw/zinc/91/27/95/947912795.db2.gz FABGCRQKGGJLBV-INIZCTEOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC001573387837 947912801 /nfs/dbraw/zinc/91/28/01/947912801.db2.gz FABGCRQKGGJLBV-INIZCTEOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573388117 947914363 /nfs/dbraw/zinc/91/43/63/947914363.db2.gz IDKWMKFWSYVKLV-BZNIZROVSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573388117 947914369 /nfs/dbraw/zinc/91/43/69/947914369.db2.gz IDKWMKFWSYVKLV-BZNIZROVSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1C ZINC001573388086 947915191 /nfs/dbraw/zinc/91/51/91/947915191.db2.gz HUOPYFAWQWCLAI-BXUZGUMPSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573388122 947915229 /nfs/dbraw/zinc/91/52/29/947915229.db2.gz IDKWMKFWSYVKLV-ZBEGNZNMSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573388122 947915238 /nfs/dbraw/zinc/91/52/38/947915238.db2.gz IDKWMKFWSYVKLV-ZBEGNZNMSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573389444 947924620 /nfs/dbraw/zinc/92/46/20/947924620.db2.gz RAAFHRXMRFUKDB-UHFFFAOYSA-N 0 3 387.488 0.919 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573389444 947924622 /nfs/dbraw/zinc/92/46/22/947924622.db2.gz RAAFHRXMRFUKDB-UHFFFAOYSA-N 0 3 387.488 0.919 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573389596 947925562 /nfs/dbraw/zinc/92/55/62/947925562.db2.gz UMGSGNHEWBPYEF-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573389596 947925573 /nfs/dbraw/zinc/92/55/73/947925573.db2.gz UMGSGNHEWBPYEF-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573390207 947927336 /nfs/dbraw/zinc/92/73/36/947927336.db2.gz XHBFEJWMYQCMMV-KRWDZBQOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573390207 947927342 /nfs/dbraw/zinc/92/73/42/947927342.db2.gz XHBFEJWMYQCMMV-KRWDZBQOSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573390650 947930250 /nfs/dbraw/zinc/93/02/50/947930250.db2.gz ZSQWYBZYWNWZLT-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573390673 947931270 /nfs/dbraw/zinc/93/12/70/947931270.db2.gz ZWUGSNQOJGFVOF-GUYCJALGSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573390673 947931274 /nfs/dbraw/zinc/93/12/74/947931274.db2.gz ZWUGSNQOJGFVOF-GUYCJALGSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573390674 947932019 /nfs/dbraw/zinc/93/20/19/947932019.db2.gz ZWUGSNQOJGFVOF-SUMWQHHRSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573390674 947932024 /nfs/dbraw/zinc/93/20/24/947932024.db2.gz ZWUGSNQOJGFVOF-SUMWQHHRSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573391374 947933143 /nfs/dbraw/zinc/93/31/43/947933143.db2.gz GTRPFHKONJVOFH-MRXNPFEDSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573391374 947933154 /nfs/dbraw/zinc/93/31/54/947933154.db2.gz GTRPFHKONJVOFH-MRXNPFEDSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573391374 947933158 /nfs/dbraw/zinc/93/31/58/947933158.db2.gz GTRPFHKONJVOFH-MRXNPFEDSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573391374 947933165 /nfs/dbraw/zinc/93/31/65/947933165.db2.gz GTRPFHKONJVOFH-MRXNPFEDSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573392074 947941469 /nfs/dbraw/zinc/94/14/69/947941469.db2.gz RDSYLMBUDMGZCR-KRWDZBQOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573392074 947941474 /nfs/dbraw/zinc/94/14/74/947941474.db2.gz RDSYLMBUDMGZCR-KRWDZBQOSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573392120 947942195 /nfs/dbraw/zinc/94/21/95/947942195.db2.gz SSFAZNYKPISGQV-CQSZACIVSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573392218 947943786 /nfs/dbraw/zinc/94/37/86/947943786.db2.gz XDHUHSVNCZXSQI-INIZCTEOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573392218 947943792 /nfs/dbraw/zinc/94/37/92/947943792.db2.gz XDHUHSVNCZXSQI-INIZCTEOSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573652630 947944061 /nfs/dbraw/zinc/94/40/61/947944061.db2.gz FOOSJUNJUOMQAX-NHYWBVRUSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573652794 947946185 /nfs/dbraw/zinc/94/61/85/947946185.db2.gz HJARWRUXBVEDJF-LRDDRELGSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573652794 947946193 /nfs/dbraw/zinc/94/61/93/947946193.db2.gz HJARWRUXBVEDJF-LRDDRELGSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC001573392864 947952401 /nfs/dbraw/zinc/95/24/01/947952401.db2.gz GVUXLDPUFANPDB-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC001573392864 947952409 /nfs/dbraw/zinc/95/24/09/947952409.db2.gz GVUXLDPUFANPDB-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573393428 947956342 /nfs/dbraw/zinc/95/63/42/947956342.db2.gz MHRISXUPEWPTBO-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573393428 947956352 /nfs/dbraw/zinc/95/63/52/947956352.db2.gz MHRISXUPEWPTBO-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573394385 947962894 /nfs/dbraw/zinc/96/28/94/947962894.db2.gz SQGHEXUSOTTYCA-IBGZPJMESA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573394385 947962900 /nfs/dbraw/zinc/96/29/00/947962900.db2.gz SQGHEXUSOTTYCA-IBGZPJMESA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573395231 947968497 /nfs/dbraw/zinc/96/84/97/947968497.db2.gz XNASOHULVDYUPB-UHFFFAOYSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573395231 947968504 /nfs/dbraw/zinc/96/85/04/947968504.db2.gz XNASOHULVDYUPB-UHFFFAOYSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573397591 947974885 /nfs/dbraw/zinc/97/48/85/947974885.db2.gz CJJNXRLQQDWDSP-MRXNPFEDSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573397591 947974888 /nfs/dbraw/zinc/97/48/88/947974888.db2.gz CJJNXRLQQDWDSP-MRXNPFEDSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573398101 947976216 /nfs/dbraw/zinc/97/62/16/947976216.db2.gz GPQFLNCCUFXNCA-IBGZPJMESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573398101 947976223 /nfs/dbraw/zinc/97/62/23/947976223.db2.gz GPQFLNCCUFXNCA-IBGZPJMESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001573398207 947978401 /nfs/dbraw/zinc/97/84/01/947978401.db2.gz ININDSUZFWEDAC-MRXNPFEDSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001573398207 947978408 /nfs/dbraw/zinc/97/84/08/947978408.db2.gz ININDSUZFWEDAC-MRXNPFEDSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573398322 947979910 /nfs/dbraw/zinc/97/99/10/947979910.db2.gz JJNOIJAYHGWQPZ-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573398322 947979917 /nfs/dbraw/zinc/97/99/17/947979917.db2.gz JJNOIJAYHGWQPZ-NSHDSACASA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573398311 947980055 /nfs/dbraw/zinc/98/00/55/947980055.db2.gz JEOUHUKPFQWXML-NEPJUHHUSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573398311 947980062 /nfs/dbraw/zinc/98/00/62/947980062.db2.gz JEOUHUKPFQWXML-NEPJUHHUSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573398321 947980759 /nfs/dbraw/zinc/98/07/59/947980759.db2.gz JJNOIJAYHGWQPZ-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573398321 947980763 /nfs/dbraw/zinc/98/07/63/947980763.db2.gz JJNOIJAYHGWQPZ-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001573398580 947984525 /nfs/dbraw/zinc/98/45/25/947984525.db2.gz NLVDHYZIWNNRQZ-MRXNPFEDSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001573398580 947984529 /nfs/dbraw/zinc/98/45/29/947984529.db2.gz NLVDHYZIWNNRQZ-MRXNPFEDSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)CC(C)C ZINC001573398915 947987911 /nfs/dbraw/zinc/98/79/11/947987911.db2.gz QQINDBPFRVWJNN-INIZCTEOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)CC(C)C ZINC001573398915 947987916 /nfs/dbraw/zinc/98/79/16/947987916.db2.gz QQINDBPFRVWJNN-INIZCTEOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573401881 948000005 /nfs/dbraw/zinc/00/00/05/948000005.db2.gz FBLUPXGWKFZCBB-INIZCTEOSA-N 0 3 391.451 0.715 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573401881 948000014 /nfs/dbraw/zinc/00/00/14/948000014.db2.gz FBLUPXGWKFZCBB-INIZCTEOSA-N 0 3 391.451 0.715 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573402842 948006517 /nfs/dbraw/zinc/00/65/17/948006517.db2.gz JLJNHGUZNXAVPQ-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573402842 948006523 /nfs/dbraw/zinc/00/65/23/948006523.db2.gz JLJNHGUZNXAVPQ-GUYCJALGSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573403123 948009276 /nfs/dbraw/zinc/00/92/76/948009276.db2.gz LMMNCDUMVSJHIT-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)NC1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573403123 948009281 /nfs/dbraw/zinc/00/92/81/948009281.db2.gz LMMNCDUMVSJHIT-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573404307 948019286 /nfs/dbraw/zinc/01/92/86/948019286.db2.gz RPFGBAJWHQBLFU-DLBZAZTESA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573404307 948019292 /nfs/dbraw/zinc/01/92/92/948019292.db2.gz RPFGBAJWHQBLFU-DLBZAZTESA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573405719 948046094 /nfs/dbraw/zinc/04/60/94/948046094.db2.gz UZGLADYWLZGKSL-CQSZACIVSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573405719 948046103 /nfs/dbraw/zinc/04/61/03/948046103.db2.gz UZGLADYWLZGKSL-CQSZACIVSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573405717 948046412 /nfs/dbraw/zinc/04/64/12/948046412.db2.gz UZGLADYWLZGKSL-AWEZNQCLSA-N 0 3 389.435 0.422 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573405717 948046420 /nfs/dbraw/zinc/04/64/20/948046420.db2.gz UZGLADYWLZGKSL-AWEZNQCLSA-N 0 3 389.435 0.422 20 0 GCADHN Cc1onc(CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347278 948051097 /nfs/dbraw/zinc/05/10/97/948051097.db2.gz LPPYTKZODXKOKH-LJQANCHMSA-N 0 3 397.439 0.459 20 0 GCADHN Cc1onc(CC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826347278 948051105 /nfs/dbraw/zinc/05/11/05/948051105.db2.gz LPPYTKZODXKOKH-LJQANCHMSA-N 0 3 397.439 0.459 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573406397 948051921 /nfs/dbraw/zinc/05/19/21/948051921.db2.gz DXVJAFQTRYAZOM-NNUKFRKNSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573406397 948051934 /nfs/dbraw/zinc/05/19/34/948051934.db2.gz DXVJAFQTRYAZOM-NNUKFRKNSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573406760 948058094 /nfs/dbraw/zinc/05/80/94/948058094.db2.gz RHJZMQLULSRAOM-IAGOWNOFSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573406760 948058101 /nfs/dbraw/zinc/05/81/01/948058101.db2.gz RHJZMQLULSRAOM-IAGOWNOFSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573409878 948077240 /nfs/dbraw/zinc/07/72/40/948077240.db2.gz XSXDAVCJFXNUKZ-HDJSIYSDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573409878 948077251 /nfs/dbraw/zinc/07/72/51/948077251.db2.gz XSXDAVCJFXNUKZ-HDJSIYSDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573413415 948081368 /nfs/dbraw/zinc/08/13/68/948081368.db2.gz DMTQTFNYWJDNLN-PXAZEXFGSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573413415 948081381 /nfs/dbraw/zinc/08/13/81/948081381.db2.gz DMTQTFNYWJDNLN-PXAZEXFGSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)[C@@H]2C)C1 ZINC001573413654 948082954 /nfs/dbraw/zinc/08/29/54/948082954.db2.gz DWRBFLCWEPBWNY-YVEFUNNKSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)[C@@H]2C)C1 ZINC001573413654 948082963 /nfs/dbraw/zinc/08/29/63/948082963.db2.gz DWRBFLCWEPBWNY-YVEFUNNKSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)CCC[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573415280 948105711 /nfs/dbraw/zinc/10/57/11/948105711.db2.gz RBWBWWLXTNILSO-UHFFFAOYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)CCC[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573415280 948105716 /nfs/dbraw/zinc/10/57/16/948105716.db2.gz RBWBWWLXTNILSO-UHFFFAOYSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573418516 948118146 /nfs/dbraw/zinc/11/81/46/948118146.db2.gz GIJSRXKOQITDHS-QWHCGFSZSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573418516 948118152 /nfs/dbraw/zinc/11/81/52/948118152.db2.gz GIJSRXKOQITDHS-QWHCGFSZSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573419009 948119171 /nfs/dbraw/zinc/11/91/71/948119171.db2.gz IVXMNAOCWZNEPP-QWHCGFSZSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573419009 948119180 /nfs/dbraw/zinc/11/91/80/948119180.db2.gz IVXMNAOCWZNEPP-QWHCGFSZSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573419093 948121449 /nfs/dbraw/zinc/12/14/49/948121449.db2.gz JQFHFXDSWFJZCY-QWRGUYRKSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573419093 948121453 /nfs/dbraw/zinc/12/14/53/948121453.db2.gz JQFHFXDSWFJZCY-QWRGUYRKSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573419613 948125147 /nfs/dbraw/zinc/12/51/47/948125147.db2.gz NPGURTWZVZCWCK-LLVKDONJSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573419613 948125153 /nfs/dbraw/zinc/12/51/53/948125153.db2.gz NPGURTWZVZCWCK-LLVKDONJSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573419883 948131514 /nfs/dbraw/zinc/13/15/14/948131514.db2.gz UUFPYBPZTNPDPA-JTQLQIEISA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573419883 948131523 /nfs/dbraw/zinc/13/15/23/948131523.db2.gz UUFPYBPZTNPDPA-JTQLQIEISA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573419946 948132481 /nfs/dbraw/zinc/13/24/81/948132481.db2.gz WKBUDRIGBUVZBB-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573419946 948132486 /nfs/dbraw/zinc/13/24/86/948132486.db2.gz WKBUDRIGBUVZBB-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573419933 948132941 /nfs/dbraw/zinc/13/29/41/948132941.db2.gz VYHYROPYIKARAP-GHMZBOCLSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573419971 948133060 /nfs/dbraw/zinc/13/30/60/948133060.db2.gz WZNISUBVOAOIIM-SNVBAGLBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573419971 948133065 /nfs/dbraw/zinc/13/30/65/948133065.db2.gz WZNISUBVOAOIIM-SNVBAGLBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)NC2CC(C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573420151 948134741 /nfs/dbraw/zinc/13/47/41/948134741.db2.gz YENCGRASWAVOHR-UHFFFAOYSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC2CC(C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573420151 948134746 /nfs/dbraw/zinc/13/47/46/948134746.db2.gz YENCGRASWAVOHR-UHFFFAOYSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573421450 948138078 /nfs/dbraw/zinc/13/80/78/948138078.db2.gz FYLYCEJNFBUFTL-OAHLLOKOSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573421450 948138087 /nfs/dbraw/zinc/13/80/87/948138087.db2.gz FYLYCEJNFBUFTL-OAHLLOKOSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573421450 948138092 /nfs/dbraw/zinc/13/80/92/948138092.db2.gz FYLYCEJNFBUFTL-OAHLLOKOSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573421450 948138101 /nfs/dbraw/zinc/13/81/01/948138101.db2.gz FYLYCEJNFBUFTL-OAHLLOKOSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573421438 948138530 /nfs/dbraw/zinc/13/85/30/948138530.db2.gz FTPBHFLGKVJLKN-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573422252 948141727 /nfs/dbraw/zinc/14/17/27/948141727.db2.gz JGMCGTIHLNJJQQ-JTQLQIEISA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573422252 948141734 /nfs/dbraw/zinc/14/17/34/948141734.db2.gz JGMCGTIHLNJJQQ-JTQLQIEISA-N 0 3 375.408 0.078 20 0 GCADHN C[C@@H](C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[NH+]1CCCCCC1 ZINC001573677774 948141945 /nfs/dbraw/zinc/14/19/45/948141945.db2.gz DXFZEBGSVPMNJT-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)[NH+]1CCCCCC1 ZINC001573678267 948147230 /nfs/dbraw/zinc/14/72/30/948147230.db2.gz CGSCYBSZLYAFAJ-HIFRSBDPSA-N 0 3 388.476 0.415 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CCC2)C1 ZINC001573424001 948147424 /nfs/dbraw/zinc/14/74/24/948147424.db2.gz SOLMZHFBBRTPSF-UHFFFAOYSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CCC2)C1 ZINC001573424001 948147428 /nfs/dbraw/zinc/14/74/28/948147428.db2.gz SOLMZHFBBRTPSF-UHFFFAOYSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573423998 948147476 /nfs/dbraw/zinc/14/74/76/948147476.db2.gz SMVFFXOUUPJBNB-AWEZNQCLSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573423998 948147479 /nfs/dbraw/zinc/14/74/79/948147479.db2.gz SMVFFXOUUPJBNB-AWEZNQCLSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573423998 948147483 /nfs/dbraw/zinc/14/74/83/948147483.db2.gz SMVFFXOUUPJBNB-AWEZNQCLSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573423998 948147487 /nfs/dbraw/zinc/14/74/87/948147487.db2.gz SMVFFXOUUPJBNB-AWEZNQCLSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001573424370 948149519 /nfs/dbraw/zinc/14/95/19/948149519.db2.gz YYAXWPYKMBZKMF-UHFFFAOYSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C2CC2)C1 ZINC001573424370 948149522 /nfs/dbraw/zinc/14/95/22/948149522.db2.gz YYAXWPYKMBZKMF-UHFFFAOYSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)C1 ZINC001573424280 948149826 /nfs/dbraw/zinc/14/98/26/948149826.db2.gz XIOYKQQCEPWMGM-KRWDZBQOSA-N 0 3 383.456 0.329 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC001573424280 948149832 /nfs/dbraw/zinc/14/98/32/948149832.db2.gz XIOYKQQCEPWMGM-KRWDZBQOSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573679961 948169037 /nfs/dbraw/zinc/16/90/37/948169037.db2.gz KPINAWPBVMNYNX-GXTWGEPZSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573680212 948175691 /nfs/dbraw/zinc/17/56/91/948175691.db2.gz MSFQBRBMRWHLEL-NHYWBVRUSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573680212 948175700 /nfs/dbraw/zinc/17/57/00/948175700.db2.gz MSFQBRBMRWHLEL-NHYWBVRUSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573433214 948197753 /nfs/dbraw/zinc/19/77/53/948197753.db2.gz JTOYVOGGWSHEAQ-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573433214 948197759 /nfs/dbraw/zinc/19/77/59/948197759.db2.gz JTOYVOGGWSHEAQ-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573434640 948216746 /nfs/dbraw/zinc/21/67/46/948216746.db2.gz RUSFTUAMXYNXTP-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cccn1 ZINC001573693891 948289070 /nfs/dbraw/zinc/28/90/70/948289070.db2.gz UYZQSAMXACCIMX-DGCLKSJQSA-N 0 3 388.407 0.030 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)c1ccco1 ZINC001573693841 948290499 /nfs/dbraw/zinc/29/04/99/948290499.db2.gz UKUOFPVDOJQDAR-RISCZKNCSA-N 0 3 388.403 0.969 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)c1ccco1 ZINC001573693841 948290505 /nfs/dbraw/zinc/29/05/05/948290505.db2.gz UKUOFPVDOJQDAR-RISCZKNCSA-N 0 3 388.403 0.969 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573444422 948314236 /nfs/dbraw/zinc/31/42/36/948314236.db2.gz UMHCJZFZLFIKAK-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573444422 948314244 /nfs/dbraw/zinc/31/42/44/948314244.db2.gz UMHCJZFZLFIKAK-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573444419 948314500 /nfs/dbraw/zinc/31/45/00/948314500.db2.gz UMHCJZFZLFIKAK-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573444419 948314513 /nfs/dbraw/zinc/31/45/13/948314513.db2.gz UMHCJZFZLFIKAK-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573446645 948334440 /nfs/dbraw/zinc/33/44/40/948334440.db2.gz LBZXYPGEWTUWFC-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573446645 948334450 /nfs/dbraw/zinc/33/44/50/948334450.db2.gz LBZXYPGEWTUWFC-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000826496654 948409894 /nfs/dbraw/zinc/40/98/94/948409894.db2.gz CWHASZDICQKTHJ-CZUORRHYSA-N 0 3 381.433 0.832 20 0 GCADHN C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573714540 948474901 /nfs/dbraw/zinc/47/49/01/948474901.db2.gz HXMQMAWDOJGDBX-LBPRGKRZSA-N 0 3 387.423 0.797 20 0 GCADHN C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573714540 948474904 /nfs/dbraw/zinc/47/49/04/948474904.db2.gz HXMQMAWDOJGDBX-LBPRGKRZSA-N 0 3 387.423 0.797 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573716861 948500074 /nfs/dbraw/zinc/50/00/74/948500074.db2.gz INTWMQLUWMDSCJ-RYUDHWBXSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@H](C(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCC(=O)N1 ZINC001573718701 948517345 /nfs/dbraw/zinc/51/73/45/948517345.db2.gz JIETUYRKUJKCDO-IINYFYTJSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573720005 948531001 /nfs/dbraw/zinc/53/10/01/948531001.db2.gz ZRXKEVYOJPXJMO-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573730173 948577737 /nfs/dbraw/zinc/57/77/37/948577737.db2.gz ZEFQUEKRHKDNLI-KYOSRNDESA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573731797 948595947 /nfs/dbraw/zinc/59/59/47/948595947.db2.gz ZEFQUEKRHKDNLI-WHOFXGATSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001573741100 948650053 /nfs/dbraw/zinc/65/00/53/948650053.db2.gz XTRWEXCJECGROB-NXEZZACHSA-N 0 3 384.437 0.033 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCCC1 ZINC001573747410 948691680 /nfs/dbraw/zinc/69/16/80/948691680.db2.gz OXAQSZKWTSTGPM-MCIONIFRSA-N 0 3 385.476 0.980 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573752354 948711795 /nfs/dbraw/zinc/71/17/95/948711795.db2.gz NCHUOFPLWDXEJG-PCBIJLKTSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573752354 948711799 /nfs/dbraw/zinc/71/17/99/948711799.db2.gz NCHUOFPLWDXEJG-PCBIJLKTSA-N 0 3 383.456 0.518 20 0 GCADHN CC(C)(C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[NH+]1CCCCC1 ZINC001573762383 948854109 /nfs/dbraw/zinc/85/41/09/948854109.db2.gz VMHSNFHNXRVNSB-UHFFFAOYSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](CNC(=O)CCCn1cncn1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574918974 948863909 /nfs/dbraw/zinc/86/39/09/948863909.db2.gz SMIITOUJWGZNED-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](CNC(=O)CCCn1cncn1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574918974 948863924 /nfs/dbraw/zinc/86/39/24/948863924.db2.gz SMIITOUJWGZNED-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](CNC(=O)CCCn1cncn1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574918974 948863941 /nfs/dbraw/zinc/86/39/41/948863941.db2.gz SMIITOUJWGZNED-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](CNC(=O)CCCn1cncn1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574918974 948863956 /nfs/dbraw/zinc/86/39/56/948863956.db2.gz SMIITOUJWGZNED-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573763931 948876232 /nfs/dbraw/zinc/87/62/32/948876232.db2.gz IUPPHBZJAPTEGU-CYBMUJFWSA-N 0 3 392.485 0.380 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573763931 948876242 /nfs/dbraw/zinc/87/62/42/948876242.db2.gz IUPPHBZJAPTEGU-CYBMUJFWSA-N 0 3 392.485 0.380 20 0 GCADHN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1)[NH+]1CCCC1 ZINC001573766014 948929005 /nfs/dbraw/zinc/92/90/05/948929005.db2.gz TVBXOZZVJFETHA-GJZGRUSLSA-N 0 3 382.472 0.926 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574923286 948943456 /nfs/dbraw/zinc/94/34/56/948943456.db2.gz IZSGRAYXDMEJSM-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574687173 948949870 /nfs/dbraw/zinc/94/98/70/948949870.db2.gz OAXUKDIPMGABOG-CYBMUJFWSA-N 0 3 388.476 0.679 20 0 GCADHN C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574687173 948949882 /nfs/dbraw/zinc/94/98/82/948949882.db2.gz OAXUKDIPMGABOG-CYBMUJFWSA-N 0 3 388.476 0.679 20 0 GCADHN C[C@H](CNC(=O)CCn1cncn1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574923543 948954021 /nfs/dbraw/zinc/95/40/21/948954021.db2.gz PJMZUTHCSDBZJP-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CNC(=O)CCn1cncn1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574923543 948954023 /nfs/dbraw/zinc/95/40/23/948954023.db2.gz PJMZUTHCSDBZJP-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574923860 948959623 /nfs/dbraw/zinc/95/96/23/948959623.db2.gz SQUONKPATCDKCN-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574923860 948959640 /nfs/dbraw/zinc/95/96/40/948959640.db2.gz SQUONKPATCDKCN-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN CC(C)(C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[NH+]1CCCC1 ZINC001573772883 948971151 /nfs/dbraw/zinc/97/11/51/948971151.db2.gz XUWBXBDQAMVABX-UHFFFAOYSA-N 0 3 386.460 0.448 20 0 GCADHN CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[NH+]1CCCCC1 ZINC001573773752 948992701 /nfs/dbraw/zinc/99/27/01/948992701.db2.gz GUUCDWHHYHBKPH-UHFFFAOYSA-N 0 3 385.476 0.982 20 0 GCADHN C[C@H](F)CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575243119 948992912 /nfs/dbraw/zinc/99/29/12/948992912.db2.gz NJLNTHPZJLMRBK-JSGCOSHPSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](F)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575243119 948992919 /nfs/dbraw/zinc/99/29/19/948992919.db2.gz NJLNTHPZJLMRBK-JSGCOSHPSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574928307 949059959 /nfs/dbraw/zinc/05/99/59/949059959.db2.gz OPIYLPBHAIUNQA-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574928307 949059996 /nfs/dbraw/zinc/05/99/96/949059996.db2.gz OPIYLPBHAIUNQA-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574928307 949059942 /nfs/dbraw/zinc/05/99/42/949059942.db2.gz OPIYLPBHAIUNQA-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574928307 949059980 /nfs/dbraw/zinc/05/99/80/949059980.db2.gz OPIYLPBHAIUNQA-ZDUSSCGKSA-N 0 3 387.488 0.966 20 0 GCADHN CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001573780208 949080319 /nfs/dbraw/zinc/08/03/19/949080319.db2.gz SNJUWMJDKGRSSD-ZDUSSCGKSA-N 0 3 385.476 0.616 20 0 GCADHN CC(C)(C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001573780429 949095931 /nfs/dbraw/zinc/09/59/31/949095931.db2.gz ZAAFDSQENFBHGB-ZDUSSCGKSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574929849 949103705 /nfs/dbraw/zinc/10/37/05/949103705.db2.gz IIYVMFCNAGAUBD-RISCZKNCSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574929849 949103716 /nfs/dbraw/zinc/10/37/16/949103716.db2.gz IIYVMFCNAGAUBD-RISCZKNCSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574929847 949103778 /nfs/dbraw/zinc/10/37/78/949103778.db2.gz IIYVMFCNAGAUBD-BXUZGUMPSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574929847 949103785 /nfs/dbraw/zinc/10/37/85/949103785.db2.gz IIYVMFCNAGAUBD-BXUZGUMPSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574931404 949118267 /nfs/dbraw/zinc/11/82/67/949118267.db2.gz OXVGEOHPBNKELD-DGCLKSJQSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574931404 949118277 /nfs/dbraw/zinc/11/82/77/949118277.db2.gz OXVGEOHPBNKELD-DGCLKSJQSA-N 0 3 378.408 0.406 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574932002 949125299 /nfs/dbraw/zinc/12/52/99/949125299.db2.gz SSWXZNJAMTVJNT-TZMCWYRMSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574932002 949125317 /nfs/dbraw/zinc/12/53/17/949125317.db2.gz SSWXZNJAMTVJNT-TZMCWYRMSA-N 0 3 392.435 0.748 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574446910 949146372 /nfs/dbraw/zinc/14/63/72/949146372.db2.gz AQQWEFUEGQCPDM-AWEZNQCLSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574446910 949146384 /nfs/dbraw/zinc/14/63/84/949146384.db2.gz AQQWEFUEGQCPDM-AWEZNQCLSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCC1 ZINC001573786848 949149976 /nfs/dbraw/zinc/14/99/76/949149976.db2.gz FXAKAEBYEHOJMM-JOCQHMNTSA-N 0 3 386.460 0.446 20 0 GCADHN C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574697780 949158957 /nfs/dbraw/zinc/15/89/57/949158957.db2.gz BWRBPQPIJPAENR-MNOVXSKESA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574697780 949158973 /nfs/dbraw/zinc/15/89/73/949158973.db2.gz BWRBPQPIJPAENR-MNOVXSKESA-N 0 3 377.424 0.454 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574447458 949161775 /nfs/dbraw/zinc/16/17/75/949161775.db2.gz OEQPXHIIYICIET-CQSZACIVSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1ocnc1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574447458 949161784 /nfs/dbraw/zinc/16/17/84/949161784.db2.gz OEQPXHIIYICIET-CQSZACIVSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)[NH+]1CCCC1 ZINC001573787280 949176195 /nfs/dbraw/zinc/17/61/95/949176195.db2.gz RGYQALPJSICCMR-FOLVSLTJSA-N 0 3 382.472 0.687 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)n1cncn1 ZINC001574698162 949177607 /nfs/dbraw/zinc/17/76/07/949177607.db2.gz GTBWCAMDXJEALU-NWDGAFQWSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)n1cncn1 ZINC001574698162 949177618 /nfs/dbraw/zinc/17/76/18/949177618.db2.gz GTBWCAMDXJEALU-NWDGAFQWSA-N 0 3 387.423 0.795 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573787781 949186305 /nfs/dbraw/zinc/18/63/05/949186305.db2.gz AMTPGMGPYFJPGO-CQSZACIVSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573787781 949186320 /nfs/dbraw/zinc/18/63/20/949186320.db2.gz AMTPGMGPYFJPGO-CQSZACIVSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573787781 949186335 /nfs/dbraw/zinc/18/63/35/949186335.db2.gz AMTPGMGPYFJPGO-CQSZACIVSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573787781 949186355 /nfs/dbraw/zinc/18/63/55/949186355.db2.gz AMTPGMGPYFJPGO-CQSZACIVSA-N 0 3 385.472 0.706 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574698369 949186635 /nfs/dbraw/zinc/18/66/35/949186635.db2.gz JUMZVDJGVSTSBF-RYUDHWBXSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574698369 949186646 /nfs/dbraw/zinc/18/66/46/949186646.db2.gz JUMZVDJGVSTSBF-RYUDHWBXSA-N 0 3 387.423 0.795 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573787842 949187551 /nfs/dbraw/zinc/18/75/51/949187551.db2.gz BUVMGAJSKMVROK-UHFFFAOYSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573787842 949187561 /nfs/dbraw/zinc/18/75/61/949187561.db2.gz BUVMGAJSKMVROK-UHFFFAOYSA-N 0 3 385.472 0.706 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573788602 949200462 /nfs/dbraw/zinc/20/04/62/949200462.db2.gz OQRXBMQHGGMIQW-ZDUSSCGKSA-N 0 3 389.435 0.598 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573788602 949200475 /nfs/dbraw/zinc/20/04/75/949200475.db2.gz OQRXBMQHGGMIQW-ZDUSSCGKSA-N 0 3 389.435 0.598 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001574453012 949278173 /nfs/dbraw/zinc/27/81/73/949278173.db2.gz VRFBFSOCTCKEPH-INIZCTEOSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001574453012 949278186 /nfs/dbraw/zinc/27/81/86/949278186.db2.gz VRFBFSOCTCKEPH-INIZCTEOSA-N 0 3 384.444 0.525 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574703244 949318753 /nfs/dbraw/zinc/31/87/53/949318753.db2.gz AKUNGQUQEQCYHS-DGCLKSJQSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574703244 949318770 /nfs/dbraw/zinc/31/87/70/949318770.db2.gz AKUNGQUQEQCYHS-DGCLKSJQSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574703552 949336516 /nfs/dbraw/zinc/33/65/16/949336516.db2.gz WHANTDKDJJWXQA-BBATYDOGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574703552 949336540 /nfs/dbraw/zinc/33/65/40/949336540.db2.gz WHANTDKDJJWXQA-BBATYDOGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574703553 949337301 /nfs/dbraw/zinc/33/73/01/949337301.db2.gz WHANTDKDJJWXQA-VOJFVSQTSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574703553 949337322 /nfs/dbraw/zinc/33/73/22/949337322.db2.gz WHANTDKDJJWXQA-VOJFVSQTSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574704431 949388785 /nfs/dbraw/zinc/38/87/85/949388785.db2.gz CHPBHFOCIJLWID-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574704432 949389640 /nfs/dbraw/zinc/38/96/40/949389640.db2.gz CHPBHFOCIJLWID-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574704430 949389810 /nfs/dbraw/zinc/38/98/10/949389810.db2.gz CHPBHFOCIJLWID-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(C)n1cnc(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001574464334 949408670 /nfs/dbraw/zinc/40/86/70/949408670.db2.gz LDMOUEYNCZZQHW-NSHDSACASA-N 0 3 390.473 0.586 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574705284 949422624 /nfs/dbraw/zinc/42/26/24/949422624.db2.gz HBIIDGBMPMWZKY-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574705284 949422632 /nfs/dbraw/zinc/42/26/32/949422632.db2.gz HBIIDGBMPMWZKY-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574705592 949430466 /nfs/dbraw/zinc/43/04/66/949430466.db2.gz JAMWTCPNAYRZKV-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574705592 949430479 /nfs/dbraw/zinc/43/04/79/949430479.db2.gz JAMWTCPNAYRZKV-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCC(=O)NC1 ZINC001575535730 949452794 /nfs/dbraw/zinc/45/27/94/949452794.db2.gz AETUXBRQIOTFGB-BEFAXECRSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@H]1CCCC[C@@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576156721 949457994 /nfs/dbraw/zinc/45/79/94/949457994.db2.gz OJNZJEGWMONNLX-XIKOKIGWSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574708247 949488452 /nfs/dbraw/zinc/48/84/52/949488452.db2.gz UTLBVXSYNXKPOC-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574708247 949488472 /nfs/dbraw/zinc/48/84/72/949488472.db2.gz UTLBVXSYNXKPOC-CJNGLKHVSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H]1CCCC[C@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576158173 949495606 /nfs/dbraw/zinc/49/56/06/949495606.db2.gz SMYNHSNOZHFGJC-KZULUSFZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H]1CCCCN1C(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163320 949531402 /nfs/dbraw/zinc/53/14/02/949531402.db2.gz AHPFZELGUXTVKN-AVGNSLFASA-N 0 3 386.460 0.446 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711226 949532949 /nfs/dbraw/zinc/53/29/49/949532949.db2.gz FGVZMSZMSPFAKH-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711226 949532966 /nfs/dbraw/zinc/53/29/66/949532966.db2.gz FGVZMSZMSPFAKH-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574711394 949537613 /nfs/dbraw/zinc/53/76/13/949537613.db2.gz GRKNTZUNYBBIRY-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711806 949555685 /nfs/dbraw/zinc/55/56/85/949555685.db2.gz MLDMSBQELMJGBO-STQMWFEESA-N 0 3 381.444 0.402 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711866 949561112 /nfs/dbraw/zinc/56/11/12/949561112.db2.gz NJIGDPPLIFXFRP-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574711866 949561126 /nfs/dbraw/zinc/56/11/26/949561126.db2.gz NJIGDPPLIFXFRP-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574711932 949566070 /nfs/dbraw/zinc/56/60/70/949566070.db2.gz OFKBBQPDFFYHRX-JSGCOSHPSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574711932 949566083 /nfs/dbraw/zinc/56/60/83/949566083.db2.gz OFKBBQPDFFYHRX-JSGCOSHPSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575270056 949572897 /nfs/dbraw/zinc/57/28/97/949572897.db2.gz AMMBSPSIYXICSE-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575270056 949572922 /nfs/dbraw/zinc/57/29/22/949572922.db2.gz AMMBSPSIYXICSE-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)Cn1ncnn1 ZINC001573810573 949573900 /nfs/dbraw/zinc/57/39/00/949573900.db2.gz ACPUOTUYVWMUHQ-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)Cn1ncnn1 ZINC001573810573 949573917 /nfs/dbraw/zinc/57/39/17/949573917.db2.gz ACPUOTUYVWMUHQ-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1COCCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574712370 949574026 /nfs/dbraw/zinc/57/40/26/949574026.db2.gz RLGKGWLPIDMWIY-NHYWBVRUSA-N 0 3 378.408 0.358 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CCNC(N)=O ZINC001573810666 949578150 /nfs/dbraw/zinc/57/81/50/949578150.db2.gz BQYDOKMXJATVKU-CQSZACIVSA-N 0 3 388.476 0.546 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CCNC(N)=O ZINC001573810666 949578166 /nfs/dbraw/zinc/57/81/66/949578166.db2.gz BQYDOKMXJATVKU-CQSZACIVSA-N 0 3 388.476 0.546 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574712443 949580733 /nfs/dbraw/zinc/58/07/33/949580733.db2.gz SKORCFMOPYWKJI-ZANVPECISA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574712443 949580747 /nfs/dbraw/zinc/58/07/47/949580747.db2.gz SKORCFMOPYWKJI-ZANVPECISA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574956539 949583390 /nfs/dbraw/zinc/58/33/90/949583390.db2.gz KFOZJKSTZMJBNU-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574956539 949583398 /nfs/dbraw/zinc/58/33/98/949583398.db2.gz KFOZJKSTZMJBNU-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575270329 949586007 /nfs/dbraw/zinc/58/60/07/949586007.db2.gz CEYMPGUKALQOGO-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575270329 949586025 /nfs/dbraw/zinc/58/60/25/949586025.db2.gz CEYMPGUKALQOGO-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574125864 949594684 /nfs/dbraw/zinc/59/46/84/949594684.db2.gz USYNNCBZIDEZMV-XJKSGUPXSA-N 0 3 387.488 0.951 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N(C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574125891 949595120 /nfs/dbraw/zinc/59/51/20/949595120.db2.gz VOYMRMQRKATZJI-CQSZACIVSA-N 0 3 391.451 0.701 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N(C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574125890 949595447 /nfs/dbraw/zinc/59/54/47/949595447.db2.gz VOYMRMQRKATZJI-AWEZNQCLSA-N 0 3 391.451 0.701 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574125861 949596983 /nfs/dbraw/zinc/59/69/83/949596983.db2.gz USYNNCBZIDEZMV-BBRMVZONSA-N 0 3 387.488 0.951 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1COCCO1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574713572 949602888 /nfs/dbraw/zinc/60/28/88/949602888.db2.gz YBXJGHCQRFLURA-NHYWBVRUSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574957377 949610454 /nfs/dbraw/zinc/61/04/54/949610454.db2.gz WKUFZJPWRRLFNJ-DMDPSCGWSA-N 0 3 376.440 0.905 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574957377 949610472 /nfs/dbraw/zinc/61/04/72/949610472.db2.gz WKUFZJPWRRLFNJ-DMDPSCGWSA-N 0 3 376.440 0.905 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574957377 949610490 /nfs/dbraw/zinc/61/04/90/949610490.db2.gz WKUFZJPWRRLFNJ-DMDPSCGWSA-N 0 3 376.440 0.905 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574957377 949610505 /nfs/dbraw/zinc/61/05/05/949610505.db2.gz WKUFZJPWRRLFNJ-DMDPSCGWSA-N 0 3 376.440 0.905 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574957459 949611916 /nfs/dbraw/zinc/61/19/16/949611916.db2.gz YKAWILOUFBMKLA-DMDPSCGWSA-N 0 3 376.440 0.682 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574957459 949611926 /nfs/dbraw/zinc/61/19/26/949611926.db2.gz YKAWILOUFBMKLA-DMDPSCGWSA-N 0 3 376.440 0.682 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574957459 949611939 /nfs/dbraw/zinc/61/19/39/949611939.db2.gz YKAWILOUFBMKLA-DMDPSCGWSA-N 0 3 376.440 0.682 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574957459 949611953 /nfs/dbraw/zinc/61/19/53/949611953.db2.gz YKAWILOUFBMKLA-DMDPSCGWSA-N 0 3 376.440 0.682 20 0 GCADHN C[C@H](CC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574476883 949623755 /nfs/dbraw/zinc/62/37/55/949623755.db2.gz IGZCWSZJRYWCEM-SNVBAGLBSA-N 0 3 378.412 0.001 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CCNC(N)=O ZINC001573813531 949633142 /nfs/dbraw/zinc/63/31/42/949633142.db2.gz ZUJLYERZYVTBLS-AWEZNQCLSA-N 0 3 388.476 0.546 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CCNC(N)=O ZINC001573813531 949633153 /nfs/dbraw/zinc/63/31/53/949633153.db2.gz ZUJLYERZYVTBLS-AWEZNQCLSA-N 0 3 388.476 0.546 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574714552 949633900 /nfs/dbraw/zinc/63/39/00/949633900.db2.gz FHHZMMPXAXQVQP-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574714834 949637390 /nfs/dbraw/zinc/63/73/90/949637390.db2.gz GSKHFSJDUFYWEC-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574714834 949637398 /nfs/dbraw/zinc/63/73/98/949637398.db2.gz GSKHFSJDUFYWEC-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575875849 949637650 /nfs/dbraw/zinc/63/76/50/949637650.db2.gz WIIZXSKYHKBLKI-OLZOCXBDSA-N 0 3 385.476 0.615 20 0 GCADHN C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876878 949657223 /nfs/dbraw/zinc/65/72/23/949657223.db2.gz YWBSWAFQLLNOLW-WCQYABFASA-N 0 3 384.444 0.010 20 0 GCADHN C[C@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576168958 949659082 /nfs/dbraw/zinc/65/90/82/949659082.db2.gz DCAGKOPKHXGISO-UBHSHLNASA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574715758 949666094 /nfs/dbraw/zinc/66/60/94/949666094.db2.gz GFKAXRSRLWFXDG-RYUDHWBXSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574715758 949666112 /nfs/dbraw/zinc/66/61/12/949666112.db2.gz GFKAXRSRLWFXDG-RYUDHWBXSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574715820 949668477 /nfs/dbraw/zinc/66/84/77/949668477.db2.gz KTDMPANTEHSBFX-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574715821 949670512 /nfs/dbraw/zinc/67/05/12/949670512.db2.gz KTDMPANTEHSBFX-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574716009 949674217 /nfs/dbraw/zinc/67/42/17/949674217.db2.gz GZTNLAPMLAUCPI-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574716009 949674230 /nfs/dbraw/zinc/67/42/30/949674230.db2.gz GZTNLAPMLAUCPI-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574716007 949675800 /nfs/dbraw/zinc/67/58/00/949675800.db2.gz GZTNLAPMLAUCPI-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574716007 949675811 /nfs/dbraw/zinc/67/58/11/949675811.db2.gz GZTNLAPMLAUCPI-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575553642 949687404 /nfs/dbraw/zinc/68/74/04/949687404.db2.gz NZFBMHWOHSGGNH-IFXJQAMLSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575553642 949687419 /nfs/dbraw/zinc/68/74/19/949687419.db2.gz NZFBMHWOHSGGNH-IFXJQAMLSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H](CN(C)C(=O)CCCC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574717009 949724062 /nfs/dbraw/zinc/72/40/62/949724062.db2.gz NQUSKECTHOKYDU-LLVKDONJSA-N 0 3 377.424 0.598 20 0 GCADHN C[C@H](CN(C)C(=O)CCCC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574717009 949724083 /nfs/dbraw/zinc/72/40/83/949724083.db2.gz NQUSKECTHOKYDU-LLVKDONJSA-N 0 3 377.424 0.598 20 0 GCADHN C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574717350 949732867 /nfs/dbraw/zinc/73/28/67/949732867.db2.gz PFKZHTMXRKTKQT-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574717350 949732886 /nfs/dbraw/zinc/73/28/86/949732886.db2.gz PFKZHTMXRKTKQT-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1ccnc1 ZINC001573819014 949746761 /nfs/dbraw/zinc/74/67/61/949746761.db2.gz QYOVBPKJNUGTRL-OAHLLOKOSA-N 0 3 383.460 0.913 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574963727 949754888 /nfs/dbraw/zinc/75/48/88/949754888.db2.gz LQTHMDUCQHUCPA-UTUOFQBUSA-N 0 3 389.435 0.502 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574963727 949754905 /nfs/dbraw/zinc/75/49/05/949754905.db2.gz LQTHMDUCQHUCPA-UTUOFQBUSA-N 0 3 389.435 0.502 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481123 949767209 /nfs/dbraw/zinc/76/72/09/949767209.db2.gz MPSGGMNIBAMGHS-MFKMUULPSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481123 949767225 /nfs/dbraw/zinc/76/72/25/949767225.db2.gz MPSGGMNIBAMGHS-MFKMUULPSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](CC(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1)NC(N)=O ZINC001574481188 949769436 /nfs/dbraw/zinc/76/94/36/949769436.db2.gz NDOCYARGKNPBSQ-GFCCVEGCSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1)NC(N)=O ZINC001574481188 949769448 /nfs/dbraw/zinc/76/94/48/949769448.db2.gz NDOCYARGKNPBSQ-GFCCVEGCSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574964883 949792348 /nfs/dbraw/zinc/79/23/48/949792348.db2.gz BGJWSEOFERNOMK-QGHHPUGFSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574964883 949792362 /nfs/dbraw/zinc/79/23/62/949792362.db2.gz BGJWSEOFERNOMK-QGHHPUGFSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574720611 949798323 /nfs/dbraw/zinc/79/83/23/949798323.db2.gz DUIJRNVVZVKJPB-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574720611 949798339 /nfs/dbraw/zinc/79/83/39/949798339.db2.gz DUIJRNVVZVKJPB-CQSZACIVSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@H](NC(=O)C[NH2+]CC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281034 949798926 /nfs/dbraw/zinc/79/89/26/949798926.db2.gz BVIFHOBZIQHSRV-IFQILLTASA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482003 949812658 /nfs/dbraw/zinc/81/26/58/949812658.db2.gz YMUXJTRNKZVUKF-JQWIXIFHSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574482003 949812675 /nfs/dbraw/zinc/81/26/75/949812675.db2.gz YMUXJTRNKZVUKF-JQWIXIFHSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575883567 949819465 /nfs/dbraw/zinc/81/94/65/949819465.db2.gz RLGAAOJFIKSJNR-AAEUAGOBSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575883567 949819479 /nfs/dbraw/zinc/81/94/79/949819479.db2.gz RLGAAOJFIKSJNR-AAEUAGOBSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574721815 949828250 /nfs/dbraw/zinc/82/82/50/949828250.db2.gz OHUOCOSPNFMAHW-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574721815 949828266 /nfs/dbraw/zinc/82/82/66/949828266.db2.gz OHUOCOSPNFMAHW-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1CCc1cnn(C)c1 ZINC001575884669 949847169 /nfs/dbraw/zinc/84/71/69/949847169.db2.gz VJVVQILAXNTAOM-IUODEOHRSA-N 0 3 383.460 0.754 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574483992 949852407 /nfs/dbraw/zinc/85/24/07/949852407.db2.gz BMNYGOPONZOUPZ-IUODEOHRSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574483992 949852430 /nfs/dbraw/zinc/85/24/30/949852430.db2.gz BMNYGOPONZOUPZ-IUODEOHRSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574723686 949854649 /nfs/dbraw/zinc/85/46/49/949854649.db2.gz BOIUVRGCMJKYRP-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574723686 949854675 /nfs/dbraw/zinc/85/46/75/949854675.db2.gz BOIUVRGCMJKYRP-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574724650 949876124 /nfs/dbraw/zinc/87/61/24/949876124.db2.gz INRDSMZGNUXTKX-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574724650 949876146 /nfs/dbraw/zinc/87/61/46/949876146.db2.gz INRDSMZGNUXTKX-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143320 949889421 /nfs/dbraw/zinc/88/94/21/949889421.db2.gz GIWUVPNAECUJDB-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143320 949889430 /nfs/dbraw/zinc/88/94/30/949889430.db2.gz GIWUVPNAECUJDB-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143320 949889447 /nfs/dbraw/zinc/88/94/47/949889447.db2.gz GIWUVPNAECUJDB-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143320 949889465 /nfs/dbraw/zinc/88/94/65/949889465.db2.gz GIWUVPNAECUJDB-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001574968125 949889934 /nfs/dbraw/zinc/88/99/34/949889934.db2.gz LTNSFLFDFHGWLV-DGCLKSJQSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(N)=O ZINC001574484805 949903383 /nfs/dbraw/zinc/90/33/83/949903383.db2.gz OSKMGKJKCSBJCC-DOMZBBRYSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(N)=O ZINC001574484805 949903401 /nfs/dbraw/zinc/90/34/01/949903401.db2.gz OSKMGKJKCSBJCC-DOMZBBRYSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](C[NH2+][C@@H](C)C(=O)N1CCC(C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576179349 949911461 /nfs/dbraw/zinc/91/14/61/949911461.db2.gz KZYUMZLVHROXLI-OLZOCXBDSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574725998 949917667 /nfs/dbraw/zinc/91/76/67/949917667.db2.gz WPRULSKBHPFCCW-LLVKDONJSA-N 0 3 388.411 0.019 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574725998 949917681 /nfs/dbraw/zinc/91/76/81/949917681.db2.gz WPRULSKBHPFCCW-LLVKDONJSA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H](CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574487624 949932277 /nfs/dbraw/zinc/93/22/77/949932277.db2.gz AMMZMUHMTMNLSW-SGTLLEGYSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574487624 949932287 /nfs/dbraw/zinc/93/22/87/949932287.db2.gz AMMZMUHMTMNLSW-SGTLLEGYSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574726924 949949537 /nfs/dbraw/zinc/94/95/37/949949537.db2.gz MMWNKGIVTQKLIH-RHSMWYFYSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574726924 949949556 /nfs/dbraw/zinc/94/95/56/949949556.db2.gz MMWNKGIVTQKLIH-RHSMWYFYSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)NC(N)=O ZINC001574488853 949954273 /nfs/dbraw/zinc/95/42/73/949954273.db2.gz GSFBJBUWRMLPCY-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)NC(N)=O ZINC001574488853 949954293 /nfs/dbraw/zinc/95/42/93/949954293.db2.gz GSFBJBUWRMLPCY-NHYWBVRUSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727128 949954407 /nfs/dbraw/zinc/95/44/07/949954407.db2.gz PRGBFAWZQMXMRL-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727128 949954428 /nfs/dbraw/zinc/95/44/28/949954428.db2.gz PRGBFAWZQMXMRL-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727741 949981126 /nfs/dbraw/zinc/98/11/26/949981126.db2.gz YSPRPIURZAOMBI-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727741 949981147 /nfs/dbraw/zinc/98/11/47/949981147.db2.gz YSPRPIURZAOMBI-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574727706 949982207 /nfs/dbraw/zinc/98/22/07/949982207.db2.gz XXILPTFHZBFQMP-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574727706 949982214 /nfs/dbraw/zinc/98/22/14/949982214.db2.gz XXILPTFHZBFQMP-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575572877 949982887 /nfs/dbraw/zinc/98/28/87/949982887.db2.gz IVLIDWRBAQSEEB-ACJLOTCBSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576180999 949984842 /nfs/dbraw/zinc/98/48/42/949984842.db2.gz GJMUHRFIULQYCD-TZMCWYRMSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576180999 949984860 /nfs/dbraw/zinc/98/48/60/949984860.db2.gz GJMUHRFIULQYCD-TZMCWYRMSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H](CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)C[C@H](C)NC(N)=O ZINC001574490463 949997369 /nfs/dbraw/zinc/99/73/69/949997369.db2.gz SFNZOYRCHDTOFN-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](CC[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)C[C@H](C)NC(N)=O ZINC001574490463 949997378 /nfs/dbraw/zinc/99/73/78/949997378.db2.gz SFNZOYRCHDTOFN-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150406 950030536 /nfs/dbraw/zinc/03/05/36/950030536.db2.gz ZOAQLXSFRUKLCI-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150406 950030560 /nfs/dbraw/zinc/03/05/60/950030560.db2.gz ZOAQLXSFRUKLCI-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150406 950030582 /nfs/dbraw/zinc/03/05/82/950030582.db2.gz ZOAQLXSFRUKLCI-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150406 950030607 /nfs/dbraw/zinc/03/06/07/950030607.db2.gz ZOAQLXSFRUKLCI-GXTWGEPZSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574151032 950052736 /nfs/dbraw/zinc/05/27/36/950052736.db2.gz JUIIGQPCERLHIJ-OAGGEKHMSA-N 0 3 385.472 0.609 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574151032 950052760 /nfs/dbraw/zinc/05/27/60/950052760.db2.gz JUIIGQPCERLHIJ-OAGGEKHMSA-N 0 3 385.472 0.609 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575892144 950055636 /nfs/dbraw/zinc/05/56/36/950055636.db2.gz SBPVIMZZWSWOCX-YPMHNXCESA-N 0 3 386.460 0.256 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1COC(=O)N1 ZINC001574151307 950069135 /nfs/dbraw/zinc/06/91/35/950069135.db2.gz OZTWDNZNWLKROJ-LSDHHAIUSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1COC(=O)N1 ZINC001574151307 950069151 /nfs/dbraw/zinc/06/91/51/950069151.db2.gz OZTWDNZNWLKROJ-LSDHHAIUSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576182985 950075112 /nfs/dbraw/zinc/07/51/12/950075112.db2.gz OFQZIQWXQPBWSE-ZDUSSCGKSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574151482 950080685 /nfs/dbraw/zinc/08/06/85/950080685.db2.gz SOFFTTFKYNOGGY-HZPDHXFCSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574151482 950080709 /nfs/dbraw/zinc/08/07/09/950080709.db2.gz SOFFTTFKYNOGGY-HZPDHXFCSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574152357 950098068 /nfs/dbraw/zinc/09/80/68/950098068.db2.gz AOSTUSDUSMVQLJ-CVEARBPZSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574152357 950098093 /nfs/dbraw/zinc/09/80/93/950098093.db2.gz AOSTUSDUSMVQLJ-CVEARBPZSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574733220 950101876 /nfs/dbraw/zinc/10/18/76/950101876.db2.gz WBDFSNOPYDOUEB-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574733220 950101882 /nfs/dbraw/zinc/10/18/82/950101882.db2.gz WBDFSNOPYDOUEB-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574152597 950111547 /nfs/dbraw/zinc/11/15/47/950111547.db2.gz HECDDUUILUTZHS-HOCLYGCPSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574152597 950111559 /nfs/dbraw/zinc/11/15/59/950111559.db2.gz HECDDUUILUTZHS-HOCLYGCPSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1cnnn1C ZINC001574153104 950125572 /nfs/dbraw/zinc/12/55/72/950125572.db2.gz MRXGJYDGNNQLEK-AWEZNQCLSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1cnnn1C ZINC001574153104 950125586 /nfs/dbraw/zinc/12/55/86/950125586.db2.gz MRXGJYDGNNQLEK-AWEZNQCLSA-N 0 3 383.460 0.930 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001574979162 950145558 /nfs/dbraw/zinc/14/55/58/950145558.db2.gz WYKRWLPHPZRLCU-BBRMVZONSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001574979162 950145572 /nfs/dbraw/zinc/14/55/72/950145572.db2.gz WYKRWLPHPZRLCU-BBRMVZONSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574734935 950151934 /nfs/dbraw/zinc/15/19/34/950151934.db2.gz VMZGRZNOQPSNIR-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)NC(N)=O ZINC001574494826 950182028 /nfs/dbraw/zinc/18/20/28/950182028.db2.gz OYGATAGRGZZBMD-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)NC(N)=O ZINC001574494826 950182038 /nfs/dbraw/zinc/18/20/38/950182038.db2.gz OYGATAGRGZZBMD-XHDPSFHLSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576191423 950197408 /nfs/dbraw/zinc/19/74/08/950197408.db2.gz HUVKGUQSBWJGNL-AAEUAGOBSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576191423 950197421 /nfs/dbraw/zinc/19/74/21/950197421.db2.gz HUVKGUQSBWJGNL-AAEUAGOBSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)Cn1cccn1 ZINC001575900472 950199545 /nfs/dbraw/zinc/19/95/45/950199545.db2.gz FVXFQPYZJZEUTK-LRDDRELGSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)Cn1cccn1 ZINC001575900472 950199554 /nfs/dbraw/zinc/19/95/54/950199554.db2.gz FVXFQPYZJZEUTK-LRDDRELGSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191856 950212435 /nfs/dbraw/zinc/21/24/35/950212435.db2.gz KOGYBTNCZPKCKQ-JSGCOSHPSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576191980 950219622 /nfs/dbraw/zinc/21/96/22/950219622.db2.gz JHFIZPVIVRDPPQ-CYBMUJFWSA-N 0 3 388.476 0.457 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576191980 950219640 /nfs/dbraw/zinc/21/96/40/950219640.db2.gz JHFIZPVIVRDPPQ-CYBMUJFWSA-N 0 3 388.476 0.457 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC001574983549 950230258 /nfs/dbraw/zinc/23/02/58/950230258.db2.gz PHRYVYORXOUTTC-QWHCGFSZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC001574983549 950230270 /nfs/dbraw/zinc/23/02/70/950230270.db2.gz PHRYVYORXOUTTC-QWHCGFSZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H]1[C@H]([NH2+]CC(=O)NCC2CCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575901449 950232809 /nfs/dbraw/zinc/23/28/09/950232809.db2.gz NPMPSVWHWFCWKR-SMDDNHRTSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)c1cnnn1C ZINC001575901634 950238309 /nfs/dbraw/zinc/23/83/09/950238309.db2.gz PGOHAHKXUNBLPC-HZMBPMFUSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576192396 950242074 /nfs/dbraw/zinc/24/20/74/950242074.db2.gz NRTXOFOOOJBYQQ-CHWSQXEVSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576192396 950242093 /nfs/dbraw/zinc/24/20/93/950242093.db2.gz NRTXOFOOOJBYQQ-CHWSQXEVSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001574741680 950252411 /nfs/dbraw/zinc/25/24/11/950252411.db2.gz KSSZNWXMMGMVHI-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576192605 950256926 /nfs/dbraw/zinc/25/69/26/950256926.db2.gz NZLCAJJOKIODJH-GXTWGEPZSA-N 0 3 381.444 0.873 20 0 GCADHN C[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576192605 950256945 /nfs/dbraw/zinc/25/69/45/950256945.db2.gz NZLCAJJOKIODJH-GXTWGEPZSA-N 0 3 381.444 0.873 20 0 GCADHN C[C@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cncn1 ZINC001575902643 950265751 /nfs/dbraw/zinc/26/57/51/950265751.db2.gz WEZXNZSVEMEJBU-NHYWBVRUSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@H]1[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)CCNC(N)=O ZINC001575902917 950271712 /nfs/dbraw/zinc/27/17/12/950271712.db2.gz YIQBNELBUDNSDX-IINYFYTJSA-N 0 3 390.423 0.143 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573851140 950289128 /nfs/dbraw/zinc/28/91/28/950289128.db2.gz SKQWBOGQNLHSQO-RYUDHWBXSA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573851190 950290084 /nfs/dbraw/zinc/29/00/84/950290084.db2.gz UOHVUTCYGHPQCL-HAQNSBGRSA-N 0 3 388.476 0.740 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576193253 950290771 /nfs/dbraw/zinc/29/07/71/950290771.db2.gz TZQQRORXPDWAKJ-JSGCOSHPSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576193253 950290785 /nfs/dbraw/zinc/29/07/85/950290785.db2.gz TZQQRORXPDWAKJ-JSGCOSHPSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCNC(N)=O ZINC001575905743 950299805 /nfs/dbraw/zinc/29/98/05/950299805.db2.gz DYODNQNZYQBBHW-QMTHXVAHSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCNC(N)=O ZINC001575905743 950299824 /nfs/dbraw/zinc/29/98/24/950299824.db2.gz DYODNQNZYQBBHW-QMTHXVAHSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575906020 950302149 /nfs/dbraw/zinc/30/21/49/950302149.db2.gz FYXZDYGBIIGKAU-ZCUWHYQZSA-N 0 3 386.431 0.977 20 0 GCADHN C[C@@H](CC(=O)NCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCC1)NC(N)=O ZINC001574499888 950310541 /nfs/dbraw/zinc/31/05/41/950310541.db2.gz XLNXRBLSHJSZDA-LBPRGKRZSA-N 0 3 386.460 0.442 20 0 GCADHN C[C@@H](CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCC1)NC(N)=O ZINC001574499888 950310562 /nfs/dbraw/zinc/31/05/62/950310562.db2.gz XLNXRBLSHJSZDA-LBPRGKRZSA-N 0 3 386.460 0.442 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cccn1 ZINC001575906510 950310570 /nfs/dbraw/zinc/31/05/70/950310570.db2.gz IKEOFPBHFDKWFX-WBMJQRKESA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1cccn1 ZINC001575906507 950310715 /nfs/dbraw/zinc/31/07/15/950310715.db2.gz IKEOFPBHFDKWFX-BLLLJJGKSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC1CC[NH+](C)CC1 ZINC001574743051 950311789 /nfs/dbraw/zinc/31/17/89/950311789.db2.gz RNLWKFLJPACQGH-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC1CC[NH+](C)CC1 ZINC001574743051 950311811 /nfs/dbraw/zinc/31/18/11/950311811.db2.gz RNLWKFLJPACQGH-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@]1(C(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCS1(=O)=O ZINC001575593308 950313818 /nfs/dbraw/zinc/31/38/18/950313818.db2.gz NIUYDRBXQYZSJC-QGZVFWFLSA-N 0 3 392.485 0.430 20 0 GCADHN C[C@]1(C(=O)NCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCS1(=O)=O ZINC001575593308 950313839 /nfs/dbraw/zinc/31/38/39/950313839.db2.gz NIUYDRBXQYZSJC-QGZVFWFLSA-N 0 3 392.485 0.430 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574743111 950314921 /nfs/dbraw/zinc/31/49/21/950314921.db2.gz RRIQFYIYEHAEHC-WCQGTBRESA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574743111 950314944 /nfs/dbraw/zinc/31/49/44/950314944.db2.gz RRIQFYIYEHAEHC-WCQGTBRESA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCCC(N)=O ZINC001575906522 950316857 /nfs/dbraw/zinc/31/68/57/950316857.db2.gz ISDBRDJUDFKTCP-XHDPSFHLSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCCC(N)=O ZINC001575906522 950316876 /nfs/dbraw/zinc/31/68/76/950316876.db2.gz ISDBRDJUDFKTCP-XHDPSFHLSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)Cc1cncn1C ZINC001575906963 950321107 /nfs/dbraw/zinc/32/11/07/950321107.db2.gz LFDJZFWHNNPYCJ-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574501281 950324227 /nfs/dbraw/zinc/32/42/27/950324227.db2.gz CKZWCDMIWBDZBS-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574501281 950324250 /nfs/dbraw/zinc/32/42/50/950324250.db2.gz CKZWCDMIWBDZBS-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574501281 950324272 /nfs/dbraw/zinc/32/42/72/950324272.db2.gz CKZWCDMIWBDZBS-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574501281 950324294 /nfs/dbraw/zinc/32/42/94/950324294.db2.gz CKZWCDMIWBDZBS-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574743596 950328428 /nfs/dbraw/zinc/32/84/28/950328428.db2.gz UWLZWCCAEGJXAE-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574743596 950328448 /nfs/dbraw/zinc/32/84/48/950328448.db2.gz UWLZWCCAEGJXAE-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574743596 950328471 /nfs/dbraw/zinc/32/84/71/950328471.db2.gz UWLZWCCAEGJXAE-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574743596 950328493 /nfs/dbraw/zinc/32/84/93/950328493.db2.gz UWLZWCCAEGJXAE-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575907601 950338297 /nfs/dbraw/zinc/33/82/97/950338297.db2.gz PJPMKSXCLMASIX-FZMZJTMJSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575907601 950338319 /nfs/dbraw/zinc/33/83/19/950338319.db2.gz PJPMKSXCLMASIX-FZMZJTMJSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H](CC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574501703 950341945 /nfs/dbraw/zinc/34/19/45/950341945.db2.gz GNUUDPRGYYCHJC-JTQLQIEISA-N 0 3 378.412 0.049 20 0 GCADHN C[C@@H](CC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574501703 950341964 /nfs/dbraw/zinc/34/19/64/950341964.db2.gz GNUUDPRGYYCHJC-JTQLQIEISA-N 0 3 378.412 0.049 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCNC(N)=O ZINC001575907772 950344228 /nfs/dbraw/zinc/34/42/28/950344228.db2.gz QJQFBCBBZFZRAQ-HZMBPMFUSA-N 0 3 390.423 0.143 20 0 GCADHN CC(C)(C)N1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001573854710 950348906 /nfs/dbraw/zinc/34/89/06/950348906.db2.gz CUULXCJAASLSNS-AVGNSLFASA-N 0 3 386.460 0.445 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575908248 950357410 /nfs/dbraw/zinc/35/74/10/950357410.db2.gz SZWMNUDEJDWVIH-BXUZGUMPSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575908248 950357432 /nfs/dbraw/zinc/35/74/32/950357432.db2.gz SZWMNUDEJDWVIH-BXUZGUMPSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001576196429 950357815 /nfs/dbraw/zinc/35/78/15/950357815.db2.gz DGVWRNCFBMTHNV-LSDHHAIUSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001576196429 950357839 /nfs/dbraw/zinc/35/78/39/950357839.db2.gz DGVWRNCFBMTHNV-LSDHHAIUSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001576196427 950357899 /nfs/dbraw/zinc/35/78/99/950357899.db2.gz DGVWRNCFBMTHNV-GJZGRUSLSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001576196427 950357921 /nfs/dbraw/zinc/35/79/21/950357921.db2.gz DGVWRNCFBMTHNV-GJZGRUSLSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)C1 ZINC001576196659 950363939 /nfs/dbraw/zinc/36/39/39/950363939.db2.gz FPVLUUHSIAAVCN-JSGCOSHPSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)C1 ZINC001576196659 950363957 /nfs/dbraw/zinc/36/39/57/950363957.db2.gz FPVLUUHSIAAVCN-JSGCOSHPSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196716 950369598 /nfs/dbraw/zinc/36/95/98/950369598.db2.gz GGRPGXNXODJXLQ-UONOGXRCSA-N 0 3 385.476 0.790 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573855427 950374098 /nfs/dbraw/zinc/37/40/98/950374098.db2.gz UIQNBQITLOBSTA-STQMWFEESA-N 0 3 388.476 0.740 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)C1=COCCO1 ZINC001575908845 950380245 /nfs/dbraw/zinc/38/02/45/950380245.db2.gz WEEAHVCIMNOIJT-IAQYHMDHSA-N 0 3 388.403 0.973 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573855510 950381364 /nfs/dbraw/zinc/38/13/64/950381364.db2.gz WLVNNLCFDFPQPQ-UHFFFAOYSA-N 0 3 388.476 0.694 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573855510 950381385 /nfs/dbraw/zinc/38/13/85/950381385.db2.gz WLVNNLCFDFPQPQ-UHFFFAOYSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cn(C)nn1 ZINC001575908894 950382199 /nfs/dbraw/zinc/38/21/99/950382199.db2.gz WXHYUDBTRKGQIA-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575909292 950390302 /nfs/dbraw/zinc/39/03/02/950390302.db2.gz YPESPMMZPBHQNX-LRDDRELGSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575909292 950390321 /nfs/dbraw/zinc/39/03/21/950390321.db2.gz YPESPMMZPBHQNX-LRDDRELGSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197411 950391557 /nfs/dbraw/zinc/39/15/57/950391557.db2.gz NHWXSSDZTROFLI-KBPBESRZSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576197411 950391576 /nfs/dbraw/zinc/39/15/76/950391576.db2.gz NHWXSSDZTROFLI-KBPBESRZSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576197405 950392342 /nfs/dbraw/zinc/39/23/42/950392342.db2.gz NERWYMSGHKQUQW-UONOGXRCSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576197405 950392362 /nfs/dbraw/zinc/39/23/62/950392362.db2.gz NERWYMSGHKQUQW-UONOGXRCSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]CCn1cc(Cl)cn1 ZINC001574746748 950397424 /nfs/dbraw/zinc/39/74/24/950397424.db2.gz OUTFRAVBIBYWIM-SNVBAGLBSA-N 0 3 377.840 0.795 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]CCn1cc(Cl)cn1 ZINC001574746748 950397445 /nfs/dbraw/zinc/39/74/45/950397445.db2.gz OUTFRAVBIBYWIM-SNVBAGLBSA-N 0 3 377.840 0.795 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575910120 950413132 /nfs/dbraw/zinc/41/31/32/950413132.db2.gz JZUHJJLERMEKPR-FZMZJTMJSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575910120 950413156 /nfs/dbraw/zinc/41/31/56/950413156.db2.gz JZUHJJLERMEKPR-FZMZJTMJSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1ccnc(N(C)C)c1 ZINC001574747834 950416156 /nfs/dbraw/zinc/41/61/56/950416156.db2.gz YQUJILZGFUWNHX-GFCCVEGCSA-N 0 3 383.460 0.906 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1ccnc(N(C)C)c1 ZINC001574747834 950416166 /nfs/dbraw/zinc/41/61/66/950416166.db2.gz YQUJILZGFUWNHX-GFCCVEGCSA-N 0 3 383.460 0.906 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cnn(C)c1N ZINC001575910437 950416694 /nfs/dbraw/zinc/41/66/94/950416694.db2.gz LALAURDVFPWJEH-NHYWBVRUSA-N 0 3 381.444 0.575 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cnn(C)c1N ZINC001575910437 950416708 /nfs/dbraw/zinc/41/67/08/950416708.db2.gz LALAURDVFPWJEH-NHYWBVRUSA-N 0 3 381.444 0.575 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1ccnc(N(C)C)c1 ZINC001574747835 950416826 /nfs/dbraw/zinc/41/68/26/950416826.db2.gz YQUJILZGFUWNHX-LBPRGKRZSA-N 0 3 383.460 0.906 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1ccnc(N(C)C)c1 ZINC001574747835 950416842 /nfs/dbraw/zinc/41/68/42/950416842.db2.gz YQUJILZGFUWNHX-LBPRGKRZSA-N 0 3 383.460 0.906 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198916 950416994 /nfs/dbraw/zinc/41/69/94/950416994.db2.gz WQCCYTVUOVASSJ-ZIAGYGMSSA-N 0 3 385.476 0.283 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198916 950417005 /nfs/dbraw/zinc/41/70/05/950417005.db2.gz WQCCYTVUOVASSJ-ZIAGYGMSSA-N 0 3 385.476 0.283 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198915 950418400 /nfs/dbraw/zinc/41/84/00/950418400.db2.gz WQCCYTVUOVASSJ-UONOGXRCSA-N 0 3 385.476 0.283 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576198915 950418413 /nfs/dbraw/zinc/41/84/13/950418413.db2.gz WQCCYTVUOVASSJ-UONOGXRCSA-N 0 3 385.476 0.283 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199505 950427414 /nfs/dbraw/zinc/42/74/14/950427414.db2.gz ZVIZQGSGIDHUQB-SCLBCKFNSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199505 950427427 /nfs/dbraw/zinc/42/74/27/950427427.db2.gz ZVIZQGSGIDHUQB-SCLBCKFNSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc2n(n1)CCO2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574750930 950447506 /nfs/dbraw/zinc/44/75/06/950447506.db2.gz JFHSIJVFWWCTFW-LBPRGKRZSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc2n(n1)CCO2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574750930 950447513 /nfs/dbraw/zinc/44/75/13/950447513.db2.gz JFHSIJVFWWCTFW-LBPRGKRZSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)C1 ZINC001576203679 950451129 /nfs/dbraw/zinc/45/11/29/950451129.db2.gz IIASWORRGDFDLX-MGPQQGTHSA-N 0 3 385.476 0.505 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)C1 ZINC001576203679 950451142 /nfs/dbraw/zinc/45/11/42/950451142.db2.gz IIASWORRGDFDLX-MGPQQGTHSA-N 0 3 385.476 0.505 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)C1 ZINC001576204043 950453280 /nfs/dbraw/zinc/45/32/80/950453280.db2.gz KENZQORGEVEWTK-DCDXPUDHSA-N 0 3 398.471 0.398 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)C1 ZINC001576204043 950453294 /nfs/dbraw/zinc/45/32/94/950453294.db2.gz KENZQORGEVEWTK-DCDXPUDHSA-N 0 3 398.471 0.398 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575912198 950459700 /nfs/dbraw/zinc/45/97/00/950459700.db2.gz QJPDFECVIKJZQQ-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575912198 950459715 /nfs/dbraw/zinc/45/97/15/950459715.db2.gz QJPDFECVIKJZQQ-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001574751631 950460778 /nfs/dbraw/zinc/46/07/78/950460778.db2.gz PKYBATZGGQTSHW-GFCCVEGCSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574507922 950461536 /nfs/dbraw/zinc/46/15/36/950461536.db2.gz KVCXIKZTMHUILZ-ZJUUUORDSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574507922 950461545 /nfs/dbraw/zinc/46/15/45/950461545.db2.gz KVCXIKZTMHUILZ-ZJUUUORDSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC001574994463 950481602 /nfs/dbraw/zinc/48/16/02/950481602.db2.gz RNEGZBQALQUUJY-VFZGTOFNSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC001574994463 950481614 /nfs/dbraw/zinc/48/16/14/950481614.db2.gz RNEGZBQALQUUJY-VFZGTOFNSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574752417 950483343 /nfs/dbraw/zinc/48/33/43/950483343.db2.gz CAQPHZWVPIURRJ-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574752417 950483359 /nfs/dbraw/zinc/48/33/59/950483359.db2.gz CAQPHZWVPIURRJ-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576205063 950492619 /nfs/dbraw/zinc/49/26/19/950492619.db2.gz GDFHVTCJTDFUJN-HUUCEWRRSA-N 0 3 384.488 0.936 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576205063 950492628 /nfs/dbraw/zinc/49/26/28/950492628.db2.gz GDFHVTCJTDFUJN-HUUCEWRRSA-N 0 3 384.488 0.936 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CN1CCCC1=O ZINC001575914492 950495015 /nfs/dbraw/zinc/49/50/15/950495015.db2.gz UWEBQVASFSCICC-CZUORRHYSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CN1CCCC1=O ZINC001575914492 950495028 /nfs/dbraw/zinc/49/50/28/950495028.db2.gz UWEBQVASFSCICC-CZUORRHYSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@H](CC(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574509317 950504573 /nfs/dbraw/zinc/50/45/73/950504573.db2.gz QNMIJTAVTFZSFG-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](CC(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574509317 950504578 /nfs/dbraw/zinc/50/45/78/950504578.db2.gz QNMIJTAVTFZSFG-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCNC(=O)C1 ZINC001575607599 950509639 /nfs/dbraw/zinc/50/96/39/950509639.db2.gz KREIZRXMCPXORJ-SPYBWZPUSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CCNC(=O)C1 ZINC001575607599 950509649 /nfs/dbraw/zinc/50/96/49/950509649.db2.gz KREIZRXMCPXORJ-SPYBWZPUSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574995405 950511449 /nfs/dbraw/zinc/51/14/49/950511449.db2.gz FPTZCFRPQVPVPD-SNVBAGLBSA-N 0 3 386.391 0.008 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574995405 950511471 /nfs/dbraw/zinc/51/14/71/950511471.db2.gz FPTZCFRPQVPVPD-SNVBAGLBSA-N 0 3 386.391 0.008 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001575608784 950518291 /nfs/dbraw/zinc/51/82/91/950518291.db2.gz RRHFYTCAZWGJFS-ZRGWGRIASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001575608784 950518313 /nfs/dbraw/zinc/51/83/13/950518313.db2.gz RRHFYTCAZWGJFS-ZRGWGRIASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575915931 950524554 /nfs/dbraw/zinc/52/45/54/950524554.db2.gz YEHNYHDWWWVUNQ-BLLLJJGKSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575915931 950524565 /nfs/dbraw/zinc/52/45/65/950524565.db2.gz YEHNYHDWWWVUNQ-BLLLJJGKSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCC(=O)NC1 ZINC001575609595 950530831 /nfs/dbraw/zinc/53/08/31/950530831.db2.gz ZHCNHSMIYGWAHW-SPYBWZPUSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CCC(=O)NC1 ZINC001575609595 950530850 /nfs/dbraw/zinc/53/08/50/950530850.db2.gz ZHCNHSMIYGWAHW-SPYBWZPUSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916441 950538018 /nfs/dbraw/zinc/53/80/18/950538018.db2.gz ZUYOYJJZJBTFCG-RISCZKNCSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916441 950538037 /nfs/dbraw/zinc/53/80/37/950538037.db2.gz ZUYOYJJZJBTFCG-RISCZKNCSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916442 950540308 /nfs/dbraw/zinc/54/03/08/950540308.db2.gz ZUYOYJJZJBTFCG-SMDDNHRTSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916442 950540332 /nfs/dbraw/zinc/54/03/32/950540332.db2.gz ZUYOYJJZJBTFCG-SMDDNHRTSA-N 0 3 382.428 0.286 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573869606 950570387 /nfs/dbraw/zinc/57/03/87/950570387.db2.gz AFWWLYULAVVUCR-IBGZPJMESA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573869606 950570406 /nfs/dbraw/zinc/57/04/06/950570406.db2.gz AFWWLYULAVVUCR-IBGZPJMESA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573869606 950570426 /nfs/dbraw/zinc/57/04/26/950570426.db2.gz AFWWLYULAVVUCR-IBGZPJMESA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573869606 950570440 /nfs/dbraw/zinc/57/04/40/950570440.db2.gz AFWWLYULAVVUCR-IBGZPJMESA-N 0 3 388.472 0.735 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573870104 950586292 /nfs/dbraw/zinc/58/62/92/950586292.db2.gz DQZRTBOZKOPEBG-GFCCVEGCSA-N 0 3 380.424 0.388 20 0 GCADHN CC(C)(C)OCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573870104 950586302 /nfs/dbraw/zinc/58/63/02/950586302.db2.gz DQZRTBOZKOPEBG-GFCCVEGCSA-N 0 3 380.424 0.388 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])CC2)CC1 ZINC001589741282 950594656 /nfs/dbraw/zinc/59/46/56/950594656.db2.gz JILYWMKOSQASTG-INIZCTEOSA-N 0 3 383.489 0.705 20 0 GCADHN CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576208074 950605554 /nfs/dbraw/zinc/60/55/54/950605554.db2.gz MHUFJGFDHBNQFQ-UONOGXRCSA-N 0 3 387.492 0.941 20 0 GCADHN CC(C)[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576208074 950605573 /nfs/dbraw/zinc/60/55/73/950605573.db2.gz MHUFJGFDHBNQFQ-UONOGXRCSA-N 0 3 387.492 0.941 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1(C(N)=O)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574520339 950725162 /nfs/dbraw/zinc/72/51/62/950725162.db2.gz QCOXQMOBEPNOGL-MNOVXSKESA-N 0 3 389.435 0.644 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1(C(N)=O)CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574520339 950725175 /nfs/dbraw/zinc/72/51/75/950725175.db2.gz QCOXQMOBEPNOGL-MNOVXSKESA-N 0 3 389.435 0.644 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)C1(C(N)=O)CC1 ZINC001574520341 950726522 /nfs/dbraw/zinc/72/65/22/950726522.db2.gz QCOXQMOBEPNOGL-WDEREUQCSA-N 0 3 389.435 0.644 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)C1(C(N)=O)CC1 ZINC001574520341 950726538 /nfs/dbraw/zinc/72/65/38/950726538.db2.gz QCOXQMOBEPNOGL-WDEREUQCSA-N 0 3 389.435 0.644 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574763763 950728969 /nfs/dbraw/zinc/72/89/69/950728969.db2.gz KCALDUBAJYOBFH-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574763763 950728972 /nfs/dbraw/zinc/72/89/72/950728972.db2.gz KCALDUBAJYOBFH-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CN1CCOCC1 ZINC001574520897 950756932 /nfs/dbraw/zinc/75/69/32/950756932.db2.gz AWLRSOXGXIDJEY-GJZGRUSLSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CN1CCOCC1 ZINC001574520897 950756946 /nfs/dbraw/zinc/75/69/46/950756946.db2.gz AWLRSOXGXIDJEY-GJZGRUSLSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)CCNC(N)=O ZINC001574520987 950761220 /nfs/dbraw/zinc/76/12/20/950761220.db2.gz CAQICTIHMCMDQL-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)CCNC(N)=O ZINC001574520987 950761233 /nfs/dbraw/zinc/76/12/33/950761233.db2.gz CAQICTIHMCMDQL-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CN(C)C(=O)c1nccnc1N)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574765131 950776780 /nfs/dbraw/zinc/77/67/80/950776780.db2.gz FQYNXXVGXROMRT-SNVBAGLBSA-N 0 3 385.407 0.628 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001575009222 950777748 /nfs/dbraw/zinc/77/77/48/950777748.db2.gz PZSNFHCLGUMIHA-LBPRGKRZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575009240 950780480 /nfs/dbraw/zinc/78/04/80/950780480.db2.gz QQUVGNLPRGABSG-DGCLKSJQSA-N 0 3 386.460 0.019 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575009240 950780499 /nfs/dbraw/zinc/78/04/99/950780499.db2.gz QQUVGNLPRGABSG-DGCLKSJQSA-N 0 3 386.460 0.019 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)CCNC(N)=O ZINC001574522126 950787574 /nfs/dbraw/zinc/78/75/74/950787574.db2.gz IJFJEPCOAJDEOC-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)CCNC(N)=O ZINC001574522126 950787589 /nfs/dbraw/zinc/78/75/89/950787589.db2.gz IJFJEPCOAJDEOC-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574522125 950789878 /nfs/dbraw/zinc/78/98/78/950789878.db2.gz IJFJEPCOAJDEOC-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001574522125 950789894 /nfs/dbraw/zinc/78/98/94/950789894.db2.gz IJFJEPCOAJDEOC-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574522878 950802076 /nfs/dbraw/zinc/80/20/76/950802076.db2.gz LOLCRWHGOAVOOM-NEPJUHHUSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574522878 950802095 /nfs/dbraw/zinc/80/20/95/950802095.db2.gz LOLCRWHGOAVOOM-NEPJUHHUSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574523437 950813373 /nfs/dbraw/zinc/81/33/73/950813373.db2.gz NOQATIKHHUAXBX-VXGBXAGGSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CCn1ccnn1 ZINC001574523694 950823159 /nfs/dbraw/zinc/82/31/59/950823159.db2.gz PMNRMVFHLJFEMX-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CCn1ccnn1 ZINC001574523694 950823183 /nfs/dbraw/zinc/82/31/83/950823183.db2.gz PMNRMVFHLJFEMX-UONOGXRCSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)CCn1ccnn1 ZINC001574523695 950825300 /nfs/dbraw/zinc/82/53/00/950825300.db2.gz PMNRMVFHLJFEMX-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)CCn1ccnn1 ZINC001574523695 950825320 /nfs/dbraw/zinc/82/53/20/950825320.db2.gz PMNRMVFHLJFEMX-ZIAGYGMSSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)NC(=O)CCNC(N)=O ZINC001574524700 950866635 /nfs/dbraw/zinc/86/66/35/950866635.db2.gz YPNNMBIFGOGEBJ-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)CCNC(N)=O ZINC001574524700 950866646 /nfs/dbraw/zinc/86/66/46/950866646.db2.gz YPNNMBIFGOGEBJ-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CN1CCCC1=O ZINC001574524868 950875808 /nfs/dbraw/zinc/87/58/08/950875808.db2.gz ZVVAZPIINIYFCM-KBPBESRZSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CN1CCCC1=O ZINC001574524868 950875823 /nfs/dbraw/zinc/87/58/23/950875823.db2.gz ZVVAZPIINIYFCM-KBPBESRZSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CN1CCCC1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574524869 950877353 /nfs/dbraw/zinc/87/73/53/950877353.db2.gz ZVVAZPIINIYFCM-KGLIPLIRSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CN1CCCC1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574524869 950877372 /nfs/dbraw/zinc/87/73/72/950877372.db2.gz ZVVAZPIINIYFCM-KGLIPLIRSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575935346 950877807 /nfs/dbraw/zinc/87/78/07/950877807.db2.gz VPGIVIVBFIJJOZ-BXUZGUMPSA-N 0 3 386.435 0.898 20 0 GCADHN C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575935346 950877822 /nfs/dbraw/zinc/87/78/22/950877822.db2.gz VPGIVIVBFIJJOZ-BXUZGUMPSA-N 0 3 386.435 0.898 20 0 GCADHN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576227090 950903218 /nfs/dbraw/zinc/90/32/18/950903218.db2.gz BITNPRTXVGLYDX-STQMWFEESA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@@H](O)Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768926 950903248 /nfs/dbraw/zinc/90/32/48/950903248.db2.gz XUWAJNYRXWIFQL-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@@H](O)Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768926 950903266 /nfs/dbraw/zinc/90/32/66/950903266.db2.gz XUWAJNYRXWIFQL-BBRMVZONSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CCCN1CCCC1=O ZINC001574527769 950907076 /nfs/dbraw/zinc/90/70/76/950907076.db2.gz GXJNKCHBLLVMAA-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CCCN1CCCC1=O ZINC001574527769 950907086 /nfs/dbraw/zinc/90/70/86/950907086.db2.gz GXJNKCHBLLVMAA-OLZOCXBDSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnnn1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574528001 950918535 /nfs/dbraw/zinc/91/85/35/950918535.db2.gz JRRFGCLXZHVENI-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnnn1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574528001 950918547 /nfs/dbraw/zinc/91/85/47/950918547.db2.gz JRRFGCLXZHVENI-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575015170 950924608 /nfs/dbraw/zinc/92/46/08/950924608.db2.gz NCBFIUWIQREFBN-QWHCGFSZSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575015170 950924626 /nfs/dbraw/zinc/92/46/26/950924626.db2.gz NCBFIUWIQREFBN-QWHCGFSZSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575015170 950924638 /nfs/dbraw/zinc/92/46/38/950924638.db2.gz NCBFIUWIQREFBN-QWHCGFSZSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575015170 950924652 /nfs/dbraw/zinc/92/46/52/950924652.db2.gz NCBFIUWIQREFBN-QWHCGFSZSA-N 0 3 388.476 0.692 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575017361 950989605 /nfs/dbraw/zinc/98/96/05/950989605.db2.gz DPAJBFDPOXYCGA-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575017361 950989625 /nfs/dbraw/zinc/98/96/25/950989625.db2.gz DPAJBFDPOXYCGA-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575017361 950989646 /nfs/dbraw/zinc/98/96/46/950989646.db2.gz DPAJBFDPOXYCGA-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575017361 950989666 /nfs/dbraw/zinc/98/96/66/950989666.db2.gz DPAJBFDPOXYCGA-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001574530650 950991766 /nfs/dbraw/zinc/99/17/66/950991766.db2.gz DCNKMHADQXPVQW-NEPJUHHUSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001574530650 950991783 /nfs/dbraw/zinc/99/17/83/950991783.db2.gz DCNKMHADQXPVQW-NEPJUHHUSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574530651 950992480 /nfs/dbraw/zinc/99/24/80/950992480.db2.gz DCNKMHADQXPVQW-NWDGAFQWSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530651 950992502 /nfs/dbraw/zinc/99/25/02/950992502.db2.gz DCNKMHADQXPVQW-NWDGAFQWSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)c1cn(C)nn1 ZINC001574530861 951002007 /nfs/dbraw/zinc/00/20/07/951002007.db2.gz YBUDQDRKHHATHE-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)c1cn(C)nn1 ZINC001574530861 951002026 /nfs/dbraw/zinc/00/20/26/951002026.db2.gz YBUDQDRKHHATHE-WDEREUQCSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575017697 951008317 /nfs/dbraw/zinc/00/83/17/951008317.db2.gz IYPMAOOTRVWXAC-VIFPVBQESA-N 0 3 386.391 0.341 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575017697 951008333 /nfs/dbraw/zinc/00/83/33/951008333.db2.gz IYPMAOOTRVWXAC-VIFPVBQESA-N 0 3 386.391 0.341 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575020135 951049892 /nfs/dbraw/zinc/04/98/92/951049892.db2.gz YVLXAAXJDWQUMA-SNVBAGLBSA-N 0 3 386.391 0.008 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575020135 951049903 /nfs/dbraw/zinc/04/99/03/951049903.db2.gz YVLXAAXJDWQUMA-SNVBAGLBSA-N 0 3 386.391 0.008 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025817 951133283 /nfs/dbraw/zinc/13/32/83/951133283.db2.gz BFBRRXDYZBGMSN-LBPRGKRZSA-N 0 3 381.444 0.949 20 0 GCADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575031785 951204557 /nfs/dbraw/zinc/20/45/57/951204557.db2.gz IRLPJKZCMWFCFC-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575031785 951204564 /nfs/dbraw/zinc/20/45/64/951204564.db2.gz IRLPJKZCMWFCFC-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575031785 951204570 /nfs/dbraw/zinc/20/45/70/951204570.db2.gz IRLPJKZCMWFCFC-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575031785 951204578 /nfs/dbraw/zinc/20/45/78/951204578.db2.gz IRLPJKZCMWFCFC-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575034709 951252898 /nfs/dbraw/zinc/25/28/98/951252898.db2.gz CGBCGXNBBGIJCV-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575034709 951252906 /nfs/dbraw/zinc/25/29/06/951252906.db2.gz CGBCGXNBBGIJCV-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575034709 951252912 /nfs/dbraw/zinc/25/29/12/951252912.db2.gz CGBCGXNBBGIJCV-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575034709 951252923 /nfs/dbraw/zinc/25/29/23/951252923.db2.gz CGBCGXNBBGIJCV-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575036259 951291672 /nfs/dbraw/zinc/29/16/72/951291672.db2.gz QFPSTWCXDWUXLC-LBPRGKRZSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575036259 951291679 /nfs/dbraw/zinc/29/16/79/951291679.db2.gz QFPSTWCXDWUXLC-LBPRGKRZSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575040352 951338501 /nfs/dbraw/zinc/33/85/01/951338501.db2.gz VIQBTXGAJARANV-LLVKDONJSA-N 0 3 383.412 0.396 20 0 GCADHN C[C@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575040352 951338515 /nfs/dbraw/zinc/33/85/15/951338515.db2.gz VIQBTXGAJARANV-LLVKDONJSA-N 0 3 383.412 0.396 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575042182 951354812 /nfs/dbraw/zinc/35/48/12/951354812.db2.gz GVXUHZLGABKZGK-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575042182 951354823 /nfs/dbraw/zinc/35/48/23/951354823.db2.gz GVXUHZLGABKZGK-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cnc2n[nH]nc2c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575044967 951422390 /nfs/dbraw/zinc/42/23/90/951422390.db2.gz YHFOGTTYTAYFQU-SNVBAGLBSA-N 0 3 378.400 0.441 20 0 GCADHN C[C@H](CNC(=O)c1cnc2n[nH]nc2c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575044967 951422396 /nfs/dbraw/zinc/42/23/96/951422396.db2.gz YHFOGTTYTAYFQU-SNVBAGLBSA-N 0 3 378.400 0.441 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575058848 951535396 /nfs/dbraw/zinc/53/53/96/951535396.db2.gz VYFYOEBQMHMRHS-SECBINFHSA-N 0 3 387.375 0.606 20 0 GCADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575058848 951535406 /nfs/dbraw/zinc/53/54/06/951535406.db2.gz VYFYOEBQMHMRHS-SECBINFHSA-N 0 3 387.375 0.606 20 0 GCADHN C[C@@H](CNC(=O)c1nccn2ccnc12)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575066066 951591767 /nfs/dbraw/zinc/59/17/67/951591767.db2.gz DMXKXFOWVRYJNB-LBPRGKRZSA-N 0 3 377.412 0.818 20 0 GCADHN C[C@@H](CNC(=O)c1nccn2ccnc12)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575066066 951591774 /nfs/dbraw/zinc/59/17/74/951591774.db2.gz DMXKXFOWVRYJNB-LBPRGKRZSA-N 0 3 377.412 0.818 20 0 GCADHN C[C@H](CNC(=O)c1ncnc2[nH]ccc21)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575068296 951633524 /nfs/dbraw/zinc/63/35/24/951633524.db2.gz ZPMMJBDLJBWMDG-LLVKDONJSA-N 0 3 377.412 0.998 20 0 GCADHN C[C@H](CNC(=O)c1ncnc2[nH]ccc21)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575068296 951633529 /nfs/dbraw/zinc/63/35/29/951633529.db2.gz ZPMMJBDLJBWMDG-LLVKDONJSA-N 0 3 377.412 0.998 20 0 GCADHN C[C@@H](CNC(=O)c1ncnc2[nH]ccc21)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575068297 951634427 /nfs/dbraw/zinc/63/44/27/951634427.db2.gz ZPMMJBDLJBWMDG-NSHDSACASA-N 0 3 377.412 0.998 20 0 GCADHN C[C@@H](CNC(=O)c1ncnc2[nH]ccc21)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575068297 951634434 /nfs/dbraw/zinc/63/44/34/951634434.db2.gz ZPMMJBDLJBWMDG-NSHDSACASA-N 0 3 377.412 0.998 20 0 GCADHN CC(C)N(C(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001575068600 951636247 /nfs/dbraw/zinc/63/62/47/951636247.db2.gz BUNRRFSWOCELBQ-CYBMUJFWSA-N 0 3 390.492 0.796 20 0 GCADHN CC(C)N(C(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001575068600 951636250 /nfs/dbraw/zinc/63/62/50/951636250.db2.gz BUNRRFSWOCELBQ-CYBMUJFWSA-N 0 3 390.492 0.796 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001575068882 951638474 /nfs/dbraw/zinc/63/84/74/951638474.db2.gz DMABJAVVIAUXEQ-CHWSQXEVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001575068882 951638480 /nfs/dbraw/zinc/63/84/80/951638480.db2.gz DMABJAVVIAUXEQ-CHWSQXEVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001575069656 951645756 /nfs/dbraw/zinc/64/57/56/951645756.db2.gz LKGNNYOWGYRNMU-OLZOCXBDSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001575069656 951645760 /nfs/dbraw/zinc/64/57/60/951645760.db2.gz LKGNNYOWGYRNMU-OLZOCXBDSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCCCCC1 ZINC001575070659 951653530 /nfs/dbraw/zinc/65/35/30/951653530.db2.gz TVHAWYOJKYBUSA-CYBMUJFWSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@@H](C[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575070913 951655228 /nfs/dbraw/zinc/65/52/28/951655228.db2.gz VRPXCRUSFVWYQO-FZMZJTMJSA-N 0 3 386.460 0.398 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077044 951660557 /nfs/dbraw/zinc/66/05/57/951660557.db2.gz BBQZPTYYNWGLNX-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077044 951660563 /nfs/dbraw/zinc/66/05/63/951660563.db2.gz BBQZPTYYNWGLNX-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)Nc1nccs1 ZINC001575077077 951660899 /nfs/dbraw/zinc/66/08/99/951660899.db2.gz BUDWVLGYSPJWRX-VIFPVBQESA-N 0 3 389.445 0.246 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077224 951664244 /nfs/dbraw/zinc/66/42/44/951664244.db2.gz ATVJUGQXSCYGQM-ABAIWWIYSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077224 951664250 /nfs/dbraw/zinc/66/42/50/951664250.db2.gz ATVJUGQXSCYGQM-ABAIWWIYSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077272 951666657 /nfs/dbraw/zinc/66/66/57/951666657.db2.gz BRPXCORDOABOCE-JTQLQIEISA-N 0 3 385.407 0.534 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575077309 951666753 /nfs/dbraw/zinc/66/67/53/951666753.db2.gz FNVGUVIETUKABQ-XJKSGUPXSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575077309 951666758 /nfs/dbraw/zinc/66/67/58/951666758.db2.gz FNVGUVIETUKABQ-XJKSGUPXSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575077495 951669726 /nfs/dbraw/zinc/66/97/26/951669726.db2.gz FJTSVJWDMTTWMA-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575077664 951673512 /nfs/dbraw/zinc/67/35/12/951673512.db2.gz HWNSRRJRGKLBOK-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575077664 951673520 /nfs/dbraw/zinc/67/35/20/951673520.db2.gz HWNSRRJRGKLBOK-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)C(C)(C)C(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077883 951676277 /nfs/dbraw/zinc/67/62/77/951676277.db2.gz JEMKKUHNRYPDJV-SNVBAGLBSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNC(=O)C(C)(C)C(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077883 951676280 /nfs/dbraw/zinc/67/62/80/951676280.db2.gz JEMKKUHNRYPDJV-SNVBAGLBSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)n1cncn1 ZINC001575077954 951676392 /nfs/dbraw/zinc/67/63/92/951676392.db2.gz IMOWRYGLJIYFLK-VXGBXAGGSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575078211 951679296 /nfs/dbraw/zinc/67/92/96/951679296.db2.gz JSPXXLRRPLKLNT-SWLSCSKDSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078562 951682954 /nfs/dbraw/zinc/68/29/54/951682954.db2.gz NJUWCKOVENXMMM-ZMZPIMSZSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078562 951682956 /nfs/dbraw/zinc/68/29/56/951682956.db2.gz NJUWCKOVENXMMM-ZMZPIMSZSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575078809 951684574 /nfs/dbraw/zinc/68/45/74/951684574.db2.gz ADIYAHMDKOJRGP-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575078809 951684579 /nfs/dbraw/zinc/68/45/79/951684579.db2.gz ADIYAHMDKOJRGP-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078658 951684884 /nfs/dbraw/zinc/68/48/84/951684884.db2.gz LIMIFZGIMPRAEG-RISCZKNCSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078658 951684888 /nfs/dbraw/zinc/68/48/88/951684888.db2.gz LIMIFZGIMPRAEG-RISCZKNCSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575078990 951685492 /nfs/dbraw/zinc/68/54/92/951685492.db2.gz OKMRFTPGYSBSTO-RISCZKNCSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575078994 951687174 /nfs/dbraw/zinc/68/71/74/951687174.db2.gz OKMRFTPGYSBSTO-SMDDNHRTSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CNC(=O)C1CC1 ZINC001575079525 951692461 /nfs/dbraw/zinc/69/24/61/951692461.db2.gz QLDYAOFAOKJCOZ-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079567 951695085 /nfs/dbraw/zinc/69/50/85/951695085.db2.gz RJJACCHEIPFGNP-WDEREUQCSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079567 951695089 /nfs/dbraw/zinc/69/50/89/951695089.db2.gz RJJACCHEIPFGNP-WDEREUQCSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)Cc1cnn(C)c1 ZINC001575079743 951696613 /nfs/dbraw/zinc/69/66/13/951696613.db2.gz GDSQLMJIJVOIAU-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)Cc1cnn(C)c1 ZINC001575079743 951696621 /nfs/dbraw/zinc/69/66/21/951696621.db2.gz GDSQLMJIJVOIAU-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080439 951709655 /nfs/dbraw/zinc/70/96/55/951709655.db2.gz LXBLNVXZXBBDEF-QMTHXVAHSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080439 951709661 /nfs/dbraw/zinc/70/96/61/951709661.db2.gz LXBLNVXZXBBDEF-QMTHXVAHSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575080677 951711862 /nfs/dbraw/zinc/71/18/62/951711862.db2.gz MPDCQBPTINJIRI-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575080677 951711868 /nfs/dbraw/zinc/71/18/68/951711868.db2.gz MPDCQBPTINJIRI-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575080676 951712596 /nfs/dbraw/zinc/71/25/96/951712596.db2.gz MPDCQBPTINJIRI-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575080676 951712602 /nfs/dbraw/zinc/71/26/02/951712602.db2.gz MPDCQBPTINJIRI-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575080761 951714659 /nfs/dbraw/zinc/71/46/59/951714659.db2.gz NMRSOOYPAANOHM-RNCFNFMXSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575080761 951714663 /nfs/dbraw/zinc/71/46/63/951714663.db2.gz NMRSOOYPAANOHM-RNCFNFMXSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575080758 951714775 /nfs/dbraw/zinc/71/47/75/951714775.db2.gz NMRSOOYPAANOHM-NOZJJQNGSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575080758 951714777 /nfs/dbraw/zinc/71/47/77/951714777.db2.gz NMRSOOYPAANOHM-NOZJJQNGSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575080789 951716273 /nfs/dbraw/zinc/71/62/73/951716273.db2.gz NQTQOKGVEAKHKY-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575080789 951716278 /nfs/dbraw/zinc/71/62/78/951716278.db2.gz NQTQOKGVEAKHKY-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575080826 951716402 /nfs/dbraw/zinc/71/64/02/951716402.db2.gz ZSMSITSLLAZCQH-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575080826 951716404 /nfs/dbraw/zinc/71/64/04/951716404.db2.gz ZSMSITSLLAZCQH-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081149 951720349 /nfs/dbraw/zinc/72/03/49/951720349.db2.gz OWKQTDLRWRFHTC-ZMZPIMSZSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081149 951720358 /nfs/dbraw/zinc/72/03/58/951720358.db2.gz OWKQTDLRWRFHTC-ZMZPIMSZSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575082571 951734297 /nfs/dbraw/zinc/73/42/97/951734297.db2.gz XIAIHOLAXDBJDX-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575082571 951734302 /nfs/dbraw/zinc/73/43/02/951734302.db2.gz XIAIHOLAXDBJDX-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575082548 951734352 /nfs/dbraw/zinc/73/43/52/951734352.db2.gz XBVNMOZYRAGGEQ-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575082548 951734359 /nfs/dbraw/zinc/73/43/59/951734359.db2.gz XBVNMOZYRAGGEQ-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCn1ccnn1 ZINC001575082603 951735309 /nfs/dbraw/zinc/73/53/09/951735309.db2.gz XQCSJBBLNRPOBB-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCn1ccnn1 ZINC001575082603 951735316 /nfs/dbraw/zinc/73/53/16/951735316.db2.gz XQCSJBBLNRPOBB-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CC(N)=O)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082897 951738319 /nfs/dbraw/zinc/73/83/19/951738319.db2.gz ZIYHISOCMBKNDB-GHMZBOCLSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CC(N)=O)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082897 951738326 /nfs/dbraw/zinc/73/83/26/951738326.db2.gz ZIYHISOCMBKNDB-GHMZBOCLSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575088697 951741009 /nfs/dbraw/zinc/74/10/09/951741009.db2.gz AWNYFUBYQATYIJ-JTQLQIEISA-N 0 3 387.423 0.477 20 0 GCADHN C[C@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575088697 951741015 /nfs/dbraw/zinc/74/10/15/951741015.db2.gz AWNYFUBYQATYIJ-JTQLQIEISA-N 0 3 387.423 0.477 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089095 951746030 /nfs/dbraw/zinc/74/60/30/951746030.db2.gz DFYXZMJIEWUQJG-XHDPSFHLSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089095 951746035 /nfs/dbraw/zinc/74/60/35/951746035.db2.gz DFYXZMJIEWUQJG-XHDPSFHLSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089434 951749947 /nfs/dbraw/zinc/74/99/47/951749947.db2.gz FONXKDZWAJOYAX-NSHDSACASA-N 0 3 376.392 0.736 20 0 GCADHN C[C@H](CNC(=O)C1=COCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089434 951749952 /nfs/dbraw/zinc/74/99/52/951749952.db2.gz FONXKDZWAJOYAX-NSHDSACASA-N 0 3 376.392 0.736 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089560 951750732 /nfs/dbraw/zinc/75/07/32/951750732.db2.gz GOOWEWCYGUFYSB-NEPJUHHUSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089560 951750740 /nfs/dbraw/zinc/75/07/40/951750740.db2.gz GOOWEWCYGUFYSB-NEPJUHHUSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089685 951754066 /nfs/dbraw/zinc/75/40/66/951754066.db2.gz HMIXSRYDRACZLI-RYUDHWBXSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089685 951754070 /nfs/dbraw/zinc/75/40/70/951754070.db2.gz HMIXSRYDRACZLI-RYUDHWBXSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CCn1cnnn1 ZINC001575090097 951757235 /nfs/dbraw/zinc/75/72/35/951757235.db2.gz JBUPRCXKASZYIJ-LLVKDONJSA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090295 951760967 /nfs/dbraw/zinc/76/09/67/951760967.db2.gz KIPXXLGJGFSPHP-CYBMUJFWSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090295 951760974 /nfs/dbraw/zinc/76/09/74/951760974.db2.gz KIPXXLGJGFSPHP-CYBMUJFWSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575091226 951772248 /nfs/dbraw/zinc/77/22/48/951772248.db2.gz ONSRUPJJGDXXDL-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091957 951787626 /nfs/dbraw/zinc/78/76/26/951787626.db2.gz ZWMIOXBUZCVASM-NEPJUHHUSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091957 951787640 /nfs/dbraw/zinc/78/76/40/951787640.db2.gz ZWMIOXBUZCVASM-NEPJUHHUSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575092041 951788745 /nfs/dbraw/zinc/78/87/45/951788745.db2.gz YLDDDZVELBOSGI-VCBZYWHSSA-N 0 3 383.456 0.363 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575092041 951788750 /nfs/dbraw/zinc/78/87/50/951788750.db2.gz YLDDDZVELBOSGI-VCBZYWHSSA-N 0 3 383.456 0.363 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575092042 951789488 /nfs/dbraw/zinc/78/94/88/951789488.db2.gz YLDDDZVELBOSGI-ZRGWGRIASA-N 0 3 383.456 0.363 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575092042 951789494 /nfs/dbraw/zinc/78/94/94/951789494.db2.gz YLDDDZVELBOSGI-ZRGWGRIASA-N 0 3 383.456 0.363 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575092068 951789621 /nfs/dbraw/zinc/78/96/21/951789621.db2.gz YTACNQWTPMEFEU-ZDUSSCGKSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575092068 951789628 /nfs/dbraw/zinc/78/96/28/951789628.db2.gz YTACNQWTPMEFEU-ZDUSSCGKSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575092494 951793285 /nfs/dbraw/zinc/79/32/85/951793285.db2.gz CCXWLSBPQXBZJS-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575092494 951793289 /nfs/dbraw/zinc/79/32/89/951793289.db2.gz CCXWLSBPQXBZJS-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575093353 951797820 /nfs/dbraw/zinc/79/78/20/951797820.db2.gz IBHVQJYYCZUSHW-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575093353 951797826 /nfs/dbraw/zinc/79/78/26/951797826.db2.gz IBHVQJYYCZUSHW-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575093348 951798464 /nfs/dbraw/zinc/79/84/64/951798464.db2.gz IBHVQJYYCZUSHW-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575093348 951798472 /nfs/dbraw/zinc/79/84/72/951798472.db2.gz IBHVQJYYCZUSHW-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575093396 951798488 /nfs/dbraw/zinc/79/84/88/951798488.db2.gz ILJBIBBRKAWHJH-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575093396 951798495 /nfs/dbraw/zinc/79/84/95/951798495.db2.gz ILJBIBBRKAWHJH-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575093769 951800873 /nfs/dbraw/zinc/80/08/73/951800873.db2.gz KHENKIPSPIYNNH-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575093769 951800875 /nfs/dbraw/zinc/80/08/75/951800875.db2.gz KHENKIPSPIYNNH-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575093770 951800905 /nfs/dbraw/zinc/80/09/05/951800905.db2.gz KHENKIPSPIYNNH-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575093770 951800909 /nfs/dbraw/zinc/80/09/09/951800909.db2.gz KHENKIPSPIYNNH-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575093449 951801107 /nfs/dbraw/zinc/80/11/07/951801107.db2.gz JXPADRCIYFHXCS-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575093449 951801112 /nfs/dbraw/zinc/80/11/12/951801112.db2.gz JXPADRCIYFHXCS-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575093828 951801794 /nfs/dbraw/zinc/80/17/94/951801794.db2.gz KZVWAENEVYMJHK-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575093828 951801798 /nfs/dbraw/zinc/80/17/98/951801798.db2.gz KZVWAENEVYMJHK-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575093865 951802564 /nfs/dbraw/zinc/80/25/64/951802564.db2.gz LFPXEQGAAKQDJC-CYBMUJFWSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575093865 951802569 /nfs/dbraw/zinc/80/25/69/951802569.db2.gz LFPXEQGAAKQDJC-CYBMUJFWSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575095120 951809192 /nfs/dbraw/zinc/80/91/92/951809192.db2.gz RWLGEMAKNUPCGY-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575095120 951809199 /nfs/dbraw/zinc/80/91/99/951809199.db2.gz RWLGEMAKNUPCGY-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575095480 951813587 /nfs/dbraw/zinc/81/35/87/951813587.db2.gz USYUYWMJRCLYGV-RHSMWYFYSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575095480 951813593 /nfs/dbraw/zinc/81/35/93/951813593.db2.gz USYUYWMJRCLYGV-RHSMWYFYSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575095569 951814026 /nfs/dbraw/zinc/81/40/26/951814026.db2.gz VJKFVPJIPSSTLE-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575095569 951814036 /nfs/dbraw/zinc/81/40/36/951814036.db2.gz VJKFVPJIPSSTLE-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H](C)n1cncn1 ZINC001575101491 951860040 /nfs/dbraw/zinc/86/00/40/951860040.db2.gz FSXHRFDFDZQSQR-VXGBXAGGSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H](C)n1cncn1 ZINC001575101491 951860045 /nfs/dbraw/zinc/86/00/45/951860045.db2.gz FSXHRFDFDZQSQR-VXGBXAGGSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101561 951861417 /nfs/dbraw/zinc/86/14/17/951861417.db2.gz HOJAPQXUWGIKOW-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101561 951861427 /nfs/dbraw/zinc/86/14/27/951861427.db2.gz HOJAPQXUWGIKOW-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101900 951865141 /nfs/dbraw/zinc/86/51/41/951865141.db2.gz JRSXBFLLWWGPCH-JTQLQIEISA-N 0 3 388.407 0.601 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101900 951865150 /nfs/dbraw/zinc/86/51/50/951865150.db2.gz JRSXBFLLWWGPCH-JTQLQIEISA-N 0 3 388.407 0.601 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102396 951867524 /nfs/dbraw/zinc/86/75/24/951867524.db2.gz MNAZJWOPUQGJJZ-XHDPSFHLSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102396 951867536 /nfs/dbraw/zinc/86/75/36/951867536.db2.gz MNAZJWOPUQGJJZ-XHDPSFHLSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575102359 951868448 /nfs/dbraw/zinc/86/84/48/951868448.db2.gz LPBDDPHCEFEPNE-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575102359 951868454 /nfs/dbraw/zinc/86/84/54/951868454.db2.gz LPBDDPHCEFEPNE-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102707 951869792 /nfs/dbraw/zinc/86/97/92/951869792.db2.gz OWDDNXBOUVMXFZ-WCQYABFASA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102707 951869800 /nfs/dbraw/zinc/86/98/00/951869800.db2.gz OWDDNXBOUVMXFZ-WCQYABFASA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575103027 951873231 /nfs/dbraw/zinc/87/32/31/951873231.db2.gz RCBMJYKGAVWNIY-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575103026 951873775 /nfs/dbraw/zinc/87/37/75/951873775.db2.gz RCBMJYKGAVWNIY-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104848 951888752 /nfs/dbraw/zinc/88/87/52/951888752.db2.gz FGLZMDYEQRXEPC-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104848 951888756 /nfs/dbraw/zinc/88/87/56/951888756.db2.gz FGLZMDYEQRXEPC-YJYMSZOUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104902 951890297 /nfs/dbraw/zinc/89/02/97/951890297.db2.gz GQRUJNNRUOMLKT-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104902 951890303 /nfs/dbraw/zinc/89/03/03/951890303.db2.gz GQRUJNNRUOMLKT-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001575105226 951892637 /nfs/dbraw/zinc/89/26/37/951892637.db2.gz IBTGHVKPJQWAHU-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575105594 951895288 /nfs/dbraw/zinc/89/52/88/951895288.db2.gz KXFQPIUHHQNNDM-APWZRJJASA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575105594 951895295 /nfs/dbraw/zinc/89/52/95/951895295.db2.gz KXFQPIUHHQNNDM-APWZRJJASA-N 0 3 386.456 0.657 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105634 951895880 /nfs/dbraw/zinc/89/58/80/951895880.db2.gz LWZXMELJUUPVMB-SWLSCSKDSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105634 951895889 /nfs/dbraw/zinc/89/58/89/951895889.db2.gz LWZXMELJUUPVMB-SWLSCSKDSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105828 951900940 /nfs/dbraw/zinc/90/09/40/951900940.db2.gz OHAQTLGFJNSTOV-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105828 951900947 /nfs/dbraw/zinc/90/09/47/951900947.db2.gz OHAQTLGFJNSTOV-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575106761 951908053 /nfs/dbraw/zinc/90/80/53/951908053.db2.gz UJCVAQGJZRBRLQ-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575106761 951908058 /nfs/dbraw/zinc/90/80/58/951908058.db2.gz UJCVAQGJZRBRLQ-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107168 951914589 /nfs/dbraw/zinc/91/45/89/951914589.db2.gz AIXDKUDORLQSRK-WFASDCNBSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107168 951914596 /nfs/dbraw/zinc/91/45/96/951914596.db2.gz AIXDKUDORLQSRK-WFASDCNBSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575107944 951922776 /nfs/dbraw/zinc/92/27/76/951922776.db2.gz JKWALCQKYRSNOC-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575107944 951922782 /nfs/dbraw/zinc/92/27/82/951922782.db2.gz JKWALCQKYRSNOC-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575108848 951925895 /nfs/dbraw/zinc/92/58/95/951925895.db2.gz OEIYJXZCXRHAOZ-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575108848 951925899 /nfs/dbraw/zinc/92/58/99/951925899.db2.gz OEIYJXZCXRHAOZ-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575109209 951927791 /nfs/dbraw/zinc/92/77/91/951927791.db2.gz PISIWGMKLCPTNM-XPKDYRNWSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575109209 951927798 /nfs/dbraw/zinc/92/77/98/951927798.db2.gz PISIWGMKLCPTNM-XPKDYRNWSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575109248 951928093 /nfs/dbraw/zinc/92/80/93/951928093.db2.gz QIGYUWGANPJZCJ-CZUORRHYSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575109248 951928096 /nfs/dbraw/zinc/92/80/96/951928096.db2.gz QIGYUWGANPJZCJ-CZUORRHYSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575109515 951929971 /nfs/dbraw/zinc/92/99/71/951929971.db2.gz RVJAXOODLRXLMX-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575109515 951929979 /nfs/dbraw/zinc/92/99/79/951929979.db2.gz RVJAXOODLRXLMX-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575109937 951935609 /nfs/dbraw/zinc/93/56/09/951935609.db2.gz WHDRYGIURBDRII-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575109937 951935612 /nfs/dbraw/zinc/93/56/12/951935612.db2.gz WHDRYGIURBDRII-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575110007 951935842 /nfs/dbraw/zinc/93/58/42/951935842.db2.gz XFNGIBSXIBCSBC-PBHICJAKSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575110007 951935846 /nfs/dbraw/zinc/93/58/46/951935846.db2.gz XFNGIBSXIBCSBC-PBHICJAKSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575110412 951939253 /nfs/dbraw/zinc/93/92/53/951939253.db2.gz ZYRSOLNSJXGCBH-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575110412 951939256 /nfs/dbraw/zinc/93/92/56/951939256.db2.gz ZYRSOLNSJXGCBH-CZUORRHYSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575110410 951939998 /nfs/dbraw/zinc/93/99/98/951939998.db2.gz ZYRSOLNSJXGCBH-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575110410 951940006 /nfs/dbraw/zinc/94/00/06/951940006.db2.gz ZYRSOLNSJXGCBH-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001575113605 951943376 /nfs/dbraw/zinc/94/33/76/951943376.db2.gz CAHSTIUJMGPFSL-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001575113605 951943380 /nfs/dbraw/zinc/94/33/80/951943380.db2.gz CAHSTIUJMGPFSL-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575113945 951949523 /nfs/dbraw/zinc/94/95/23/951949523.db2.gz IWYLIAZFEMJIIY-GOSISDBHSA-N 0 3 386.460 0.300 20 0 GCADHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575113945 951949530 /nfs/dbraw/zinc/94/95/30/951949530.db2.gz IWYLIAZFEMJIIY-GOSISDBHSA-N 0 3 386.460 0.300 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114083 951952438 /nfs/dbraw/zinc/95/24/38/951952438.db2.gz MHAMBQGZZDEBIR-CYBMUJFWSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114083 951952445 /nfs/dbraw/zinc/95/24/45/951952445.db2.gz MHAMBQGZZDEBIR-CYBMUJFWSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575114049 951952562 /nfs/dbraw/zinc/95/25/62/951952562.db2.gz LGLVRWDCMYKZPJ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575114049 951952568 /nfs/dbraw/zinc/95/25/68/951952568.db2.gz LGLVRWDCMYKZPJ-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114759 951960846 /nfs/dbraw/zinc/96/08/46/951960846.db2.gz SJBOUSSCRNPWGK-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114759 951960854 /nfs/dbraw/zinc/96/08/54/951960854.db2.gz SJBOUSSCRNPWGK-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115790 951967069 /nfs/dbraw/zinc/96/70/69/951967069.db2.gz YVJOAIHNBLBNRK-ZIAGYGMSSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115790 951967075 /nfs/dbraw/zinc/96/70/75/951967075.db2.gz YVJOAIHNBLBNRK-ZIAGYGMSSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115852 951968227 /nfs/dbraw/zinc/96/82/27/951968227.db2.gz ZVTHEERQRLTCDE-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115852 951968230 /nfs/dbraw/zinc/96/82/30/951968230.db2.gz ZVTHEERQRLTCDE-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575145987 952189966 /nfs/dbraw/zinc/18/99/66/952189966.db2.gz FGRMBVZQUGYGQX-NSHDSACASA-N 0 3 385.432 0.306 20 0 GCADHN Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC001571121721 952521490 /nfs/dbraw/zinc/52/14/90/952521490.db2.gz CDAYDJYJWSNANS-GRYCIOLGSA-N 0 3 376.490 0.667 20 0 GCADHN Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC001571121721 952521495 /nfs/dbraw/zinc/52/14/95/952521495.db2.gz CDAYDJYJWSNANS-GRYCIOLGSA-N 0 3 376.490 0.667 20 0 GCADHN C[C@H](Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCOCC1)[NH+](C)C ZINC001575206232 952527802 /nfs/dbraw/zinc/52/78/02/952527802.db2.gz INKHYSMBMLQKNB-CYBMUJFWSA-N 0 3 383.460 0.912 20 0 GCADHN C[C@H](Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCOCC1)[NH+](C)C ZINC001575206232 952527806 /nfs/dbraw/zinc/52/78/06/952527806.db2.gz INKHYSMBMLQKNB-CYBMUJFWSA-N 0 3 383.460 0.912 20 0 GCADHN C[C@@H](Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCOCC1)[NH+](C)C ZINC001575206236 952528173 /nfs/dbraw/zinc/52/81/73/952528173.db2.gz INKHYSMBMLQKNB-ZDUSSCGKSA-N 0 3 383.460 0.912 20 0 GCADHN C[C@@H](Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCOCC1)[NH+](C)C ZINC001575206236 952528179 /nfs/dbraw/zinc/52/81/79/952528179.db2.gz INKHYSMBMLQKNB-ZDUSSCGKSA-N 0 3 383.460 0.912 20 0 GCADHN C[C@H](Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCOCC1)[NH+](C)C ZINC001575207240 952533107 /nfs/dbraw/zinc/53/31/07/952533107.db2.gz PJRJZWMQXFABGU-CYBMUJFWSA-N 0 3 383.460 0.912 20 0 GCADHN C[C@H](Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCOCC1)[NH+](C)C ZINC001575207240 952533110 /nfs/dbraw/zinc/53/31/10/952533110.db2.gz PJRJZWMQXFABGU-CYBMUJFWSA-N 0 3 383.460 0.912 20 0 GCADHN Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571142618 952644162 /nfs/dbraw/zinc/64/41/62/952644162.db2.gz YMGLGEUSLOWOBZ-SHTZXODSSA-N 0 3 379.424 0.616 20 0 GCADHN Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571142618 952644164 /nfs/dbraw/zinc/64/41/64/952644164.db2.gz YMGLGEUSLOWOBZ-SHTZXODSSA-N 0 3 379.424 0.616 20 0 GCADHN C[C@]12CN(C(=O)Cc3cnc[nH]3)C[C@H]1CN(c1ccncc1-c1nn[nH]n1)C2 ZINC001571147334 952659811 /nfs/dbraw/zinc/65/98/11/952659811.db2.gz JXUCRICHLGSLGP-XIKOKIGWSA-N 0 3 379.428 0.512 20 0 GCADHN Nc1nccnc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571147412 952660499 /nfs/dbraw/zinc/66/04/99/952660499.db2.gz XENHSYSQZIQGLO-CQSZACIVSA-N 0 3 379.428 0.633 20 0 GCADHN Nc1nccnc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571147412 952660501 /nfs/dbraw/zinc/66/05/01/952660501.db2.gz XENHSYSQZIQGLO-CQSZACIVSA-N 0 3 379.428 0.633 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571155139 952692453 /nfs/dbraw/zinc/69/24/53/952692453.db2.gz IVVXRGZMESSLJV-NHYWBVRUSA-N 0 3 380.412 0.200 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571155139 952692457 /nfs/dbraw/zinc/69/24/57/952692457.db2.gz IVVXRGZMESSLJV-NHYWBVRUSA-N 0 3 380.412 0.200 20 0 GCADHN Cc1nn[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571162211 952740979 /nfs/dbraw/zinc/74/09/79/952740979.db2.gz NWLUJHNPANWBJA-RTXFEEFZSA-N 0 3 380.416 0.536 20 0 GCADHN Cn1ccc(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)n1 ZINC001571171697 952796178 /nfs/dbraw/zinc/79/61/78/952796178.db2.gz DDUJEFQGGGQDCZ-MRXNPFEDSA-N 0 3 380.456 0.924 20 0 GCADHN Cn1ccc(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)n1 ZINC001571171697 952796183 /nfs/dbraw/zinc/79/61/83/952796183.db2.gz DDUJEFQGGGQDCZ-MRXNPFEDSA-N 0 3 380.456 0.924 20 0 GCADHN Cn1ccnc1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571172354 952805438 /nfs/dbraw/zinc/80/54/38/952805438.db2.gz TUPULNORYQZBQT-OAHLLOKOSA-N 0 3 380.456 0.924 20 0 GCADHN Cn1ccnc1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571172354 952805443 /nfs/dbraw/zinc/80/54/43/952805443.db2.gz TUPULNORYQZBQT-OAHLLOKOSA-N 0 3 380.456 0.924 20 0 GCADHN Cc1cc(N[C@@H]2CN(C(=O)c3cnc[nH]c3=O)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571175359 952820423 /nfs/dbraw/zinc/82/04/23/952820423.db2.gz UGCGHPCLTGHQTB-YMTOWFKASA-N 0 3 381.400 0.060 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC001571183012 952871530 /nfs/dbraw/zinc/87/15/30/952871530.db2.gz LYYYQZSPHBDSKQ-YVEFUNNKSA-N 0 3 381.440 0.937 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC001571183011 952871690 /nfs/dbraw/zinc/87/16/90/952871690.db2.gz LYYYQZSPHBDSKQ-SJKOYZFVSA-N 0 3 381.440 0.937 20 0 GCADHN C[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001571183549 952880163 /nfs/dbraw/zinc/88/01/63/952880163.db2.gz DHIORQKTSNGMHM-UKRRQHHQSA-N 0 3 381.444 0.485 20 0 GCADHN C[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001571183549 952880167 /nfs/dbraw/zinc/88/01/67/952880167.db2.gz DHIORQKTSNGMHM-UKRRQHHQSA-N 0 3 381.444 0.485 20 0 GCADHN C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571183984 952885680 /nfs/dbraw/zinc/88/56/80/952885680.db2.gz OCELMNGUAWHJHF-SWLSCSKDSA-N 0 3 381.444 0.493 20 0 GCADHN C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571183984 952885684 /nfs/dbraw/zinc/88/56/84/952885684.db2.gz OCELMNGUAWHJHF-SWLSCSKDSA-N 0 3 381.444 0.493 20 0 GCADHN CCn1nncc1C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001571185061 952900275 /nfs/dbraw/zinc/90/02/75/952900275.db2.gz IBSJPIRJTQOLJH-SWLSCSKDSA-N 0 3 381.444 0.871 20 0 GCADHN CCn1nncc1C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001571185061 952900277 /nfs/dbraw/zinc/90/02/77/952900277.db2.gz IBSJPIRJTQOLJH-SWLSCSKDSA-N 0 3 381.444 0.871 20 0 GCADHN CCn1nncc1C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571185684 952903344 /nfs/dbraw/zinc/90/33/44/952903344.db2.gz OGMISMVVOWPFNQ-UHFFFAOYSA-N 0 3 381.444 0.873 20 0 GCADHN CCn1nncc1C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571185684 952903347 /nfs/dbraw/zinc/90/33/47/952903347.db2.gz OGMISMVVOWPFNQ-UHFFFAOYSA-N 0 3 381.444 0.873 20 0 GCADHN CCn1nncc1C(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571185715 952903540 /nfs/dbraw/zinc/90/35/40/952903540.db2.gz OTPQVPJSDPWVSA-UHFFFAOYSA-N 0 3 381.444 0.873 20 0 GCADHN CCn1nncc1C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571185715 952903544 /nfs/dbraw/zinc/90/35/44/952903544.db2.gz OTPQVPJSDPWVSA-UHFFFAOYSA-N 0 3 381.444 0.873 20 0 GCADHN CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571185593 952903601 /nfs/dbraw/zinc/90/36/01/952903601.db2.gz NTRYPCKFHNMIGK-IUODEOHRSA-N 0 3 381.444 0.728 20 0 GCADHN CCn1nncc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571185593 952903605 /nfs/dbraw/zinc/90/36/05/952903605.db2.gz NTRYPCKFHNMIGK-IUODEOHRSA-N 0 3 381.444 0.728 20 0 GCADHN Cc1cc(N(C)C[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188008 952911657 /nfs/dbraw/zinc/91/16/57/952911657.db2.gz FODWVEAZPVADAA-ZDUSSCGKSA-N 0 3 381.444 0.821 20 0 GCADHN Cc1cc(N(C)C[C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188007 952911689 /nfs/dbraw/zinc/91/16/89/952911689.db2.gz FODWVEAZPVADAA-CYBMUJFWSA-N 0 3 381.444 0.821 20 0 GCADHN Cc1nnc(CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)[nH]1 ZINC001571188200 952912554 /nfs/dbraw/zinc/91/25/54/952912554.db2.gz IBEBQIPTKQZDEA-CQSZACIVSA-N 0 3 381.444 0.474 20 0 GCADHN Cn1cncc1C[NH2+]C1CC2(CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571188919 952921545 /nfs/dbraw/zinc/92/15/45/952921545.db2.gz KCKZREXFKMMOMD-UHFFFAOYSA-N 0 3 381.444 0.759 20 0 GCADHN Cn1cncc1C[NH2+]C1CC2(CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571188919 952921546 /nfs/dbraw/zinc/92/15/46/952921546.db2.gz KCKZREXFKMMOMD-UHFFFAOYSA-N 0 3 381.444 0.759 20 0 GCADHN Cn1nncc1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571189710 952932960 /nfs/dbraw/zinc/93/29/60/952932960.db2.gz SDJLLLGBJIWQPZ-ZFWWWQNUSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1nncc1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571189710 952932969 /nfs/dbraw/zinc/93/29/69/952932969.db2.gz SDJLLLGBJIWQPZ-ZFWWWQNUSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1nncc1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571189707 952933370 /nfs/dbraw/zinc/93/33/70/952933370.db2.gz SDJLLLGBJIWQPZ-DZGCQCFKSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1nncc1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571189707 952933376 /nfs/dbraw/zinc/93/33/76/952933376.db2.gz SDJLLLGBJIWQPZ-DZGCQCFKSA-N 0 3 381.444 0.684 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001571198742 952992888 /nfs/dbraw/zinc/99/28/88/952992888.db2.gz FINPTMMHDKMCAF-CQSZACIVSA-N 0 3 382.428 0.613 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001571199091 952996747 /nfs/dbraw/zinc/99/67/47/952996747.db2.gz LKCXXNVQQNMROG-ZDUSSCGKSA-N 0 3 382.428 0.850 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ncc[nH]2)cc1-c1nnn[n-]1 ZINC001571199086 952996969 /nfs/dbraw/zinc/99/69/69/952996969.db2.gz LJYSPQNUVIMCEY-CYBMUJFWSA-N 0 3 382.428 0.993 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2ncc[nH]2)cc1-c1nn[n-]n1 ZINC001571199086 952996978 /nfs/dbraw/zinc/99/69/78/952996978.db2.gz LJYSPQNUVIMCEY-CYBMUJFWSA-N 0 3 382.428 0.993 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC001571199248 952998385 /nfs/dbraw/zinc/99/83/85/952998385.db2.gz OIWGGHQPOSOXLP-CQSZACIVSA-N 0 3 382.428 0.911 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571199513 953000972 /nfs/dbraw/zinc/00/09/72/953000972.db2.gz TWQYMCXQFSNIFD-MQMHXKEQSA-N 0 3 382.428 0.902 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571199513 953000975 /nfs/dbraw/zinc/00/09/75/953000975.db2.gz TWQYMCXQFSNIFD-MQMHXKEQSA-N 0 3 382.428 0.902 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571202087 953022758 /nfs/dbraw/zinc/02/27/58/953022758.db2.gz UZQWUJXYSKAJGH-FZMZJTMJSA-N 0 3 382.428 0.556 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571202087 953022759 /nfs/dbraw/zinc/02/27/59/953022759.db2.gz UZQWUJXYSKAJGH-FZMZJTMJSA-N 0 3 382.428 0.556 20 0 GCADHN Cc1cncc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)c1 ZINC001571202409 953024888 /nfs/dbraw/zinc/02/48/88/953024888.db2.gz UMEMAGJDLJIIJW-OAHLLOKOSA-N 0 3 382.428 0.529 20 0 GCADHN Cc1nonc1CC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571205067 953034628 /nfs/dbraw/zinc/03/46/28/953034628.db2.gz GCHPGAARRXNSDS-UHFFFAOYSA-N 0 3 382.428 0.785 20 0 GCADHN Cc1nonc1CC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571205067 953034633 /nfs/dbraw/zinc/03/46/33/953034633.db2.gz GCHPGAARRXNSDS-UHFFFAOYSA-N 0 3 382.428 0.785 20 0 GCADHN Cc1nonc1CC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC001571205755 953042845 /nfs/dbraw/zinc/04/28/45/953042845.db2.gz LNMAOCDNXJBLOK-NHYWBVRUSA-N 0 3 382.428 0.880 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CCn1cnnn1 ZINC001571206246 953048962 /nfs/dbraw/zinc/04/89/62/953048962.db2.gz SOVZQWQIBDTQEE-SWLSCSKDSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CCn1cnnn1 ZINC001571206246 953048967 /nfs/dbraw/zinc/04/89/67/953048967.db2.gz SOVZQWQIBDTQEE-SWLSCSKDSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cncn1)C2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571209863 953068650 /nfs/dbraw/zinc/06/86/50/953068650.db2.gz HCSJAZSIAUEIDP-XQQFMLRXSA-N 0 3 382.432 0.069 20 0 GCADHN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cncn1)C2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571209863 953068654 /nfs/dbraw/zinc/06/86/54/953068654.db2.gz HCSJAZSIAUEIDP-XQQFMLRXSA-N 0 3 382.432 0.069 20 0 GCADHN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cncn1)C2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571209863 953068655 /nfs/dbraw/zinc/06/86/55/953068655.db2.gz HCSJAZSIAUEIDP-XQQFMLRXSA-N 0 3 382.432 0.069 20 0 GCADHN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cncn1)C2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571209863 953068659 /nfs/dbraw/zinc/06/86/59/953068659.db2.gz HCSJAZSIAUEIDP-XQQFMLRXSA-N 0 3 382.432 0.069 20 0 GCADHN O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cncn1)C2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571209862 953068794 /nfs/dbraw/zinc/06/87/94/953068794.db2.gz HCSJAZSIAUEIDP-AVGNSLFASA-N 0 3 382.432 0.069 20 0 GCADHN O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cncn1)C2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571209862 953068798 /nfs/dbraw/zinc/06/87/98/953068798.db2.gz HCSJAZSIAUEIDP-AVGNSLFASA-N 0 3 382.432 0.069 20 0 GCADHN O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cncn1)C2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571209862 953068801 /nfs/dbraw/zinc/06/88/01/953068801.db2.gz HCSJAZSIAUEIDP-AVGNSLFASA-N 0 3 382.432 0.069 20 0 GCADHN O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cncn1)C2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571209862 953068805 /nfs/dbraw/zinc/06/88/05/953068805.db2.gz HCSJAZSIAUEIDP-AVGNSLFASA-N 0 3 382.432 0.069 20 0 GCADHN CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571211576 953078813 /nfs/dbraw/zinc/07/88/13/953078813.db2.gz BYVICKUFLLEUIV-CQSZACIVSA-N 0 3 382.472 0.927 20 0 GCADHN CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571211576 953078817 /nfs/dbraw/zinc/07/88/17/953078817.db2.gz BYVICKUFLLEUIV-CQSZACIVSA-N 0 3 382.472 0.927 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571211992 953082786 /nfs/dbraw/zinc/08/27/86/953082786.db2.gz GZTTYMQGQOGBCI-DAXOMENPSA-N 0 3 382.472 0.862 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571211992 953082792 /nfs/dbraw/zinc/08/27/92/953082792.db2.gz GZTTYMQGQOGBCI-DAXOMENPSA-N 0 3 382.472 0.862 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001571212476 953089301 /nfs/dbraw/zinc/08/93/01/953089301.db2.gz MJEVXVANHCRSFV-CQSZACIVSA-N 0 3 382.472 0.703 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001571212476 953089305 /nfs/dbraw/zinc/08/93/05/953089305.db2.gz MJEVXVANHCRSFV-CQSZACIVSA-N 0 3 382.472 0.703 20 0 GCADHN CN(c1ncccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001571212473 953089627 /nfs/dbraw/zinc/08/96/27/953089627.db2.gz MGWUDNNSYJKRPE-CQSZACIVSA-N 0 3 382.472 0.927 20 0 GCADHN CN(c1ncccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001571212473 953089630 /nfs/dbraw/zinc/08/96/30/953089630.db2.gz MGWUDNNSYJKRPE-CQSZACIVSA-N 0 3 382.472 0.927 20 0 GCADHN CN(c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571213300 953094454 /nfs/dbraw/zinc/09/44/54/953094454.db2.gz RCNKSTMNXKYVMJ-HNNXBMFYSA-N 0 3 382.472 0.785 20 0 GCADHN CN(c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571213300 953094457 /nfs/dbraw/zinc/09/44/57/953094457.db2.gz RCNKSTMNXKYVMJ-HNNXBMFYSA-N 0 3 382.472 0.785 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571231174 953183197 /nfs/dbraw/zinc/18/31/97/953183197.db2.gz UUROZBTXRDUVFJ-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC001571231452 953185003 /nfs/dbraw/zinc/18/50/03/953185003.db2.gz XEFSNODDDMLEKN-JKSUJKDBSA-N 0 3 383.456 0.426 20 0 GCADHN CN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC001571231452 953185006 /nfs/dbraw/zinc/18/50/06/953185006.db2.gz XEFSNODDDMLEKN-JKSUJKDBSA-N 0 3 383.456 0.426 20 0 GCADHN CN1C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1=O ZINC001571231559 953185344 /nfs/dbraw/zinc/18/53/44/953185344.db2.gz ZUSDYFGNPRTJKE-BPLDGKMQSA-N 0 3 383.456 0.329 20 0 GCADHN CN1C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1=O ZINC001571231559 953185346 /nfs/dbraw/zinc/18/53/46/953185346.db2.gz ZUSDYFGNPRTJKE-BPLDGKMQSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571232222 953186117 /nfs/dbraw/zinc/18/61/17/953186117.db2.gz CFCHOHKTVAHNBT-CHWSQXEVSA-N 0 3 383.460 0.959 20 0 GCADHN C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571232222 953186120 /nfs/dbraw/zinc/18/61/20/953186120.db2.gz CFCHOHKTVAHNBT-CHWSQXEVSA-N 0 3 383.460 0.959 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571232307 953186706 /nfs/dbraw/zinc/18/67/06/953186706.db2.gz DLFGVVVPGDJUPK-GJZGRUSLSA-N 0 3 383.456 0.616 20 0 GCADHN O=C(C[C@@H]1CCC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571232307 953186709 /nfs/dbraw/zinc/18/67/09/953186709.db2.gz DLFGVVVPGDJUPK-GJZGRUSLSA-N 0 3 383.456 0.616 20 0 GCADHN O=C(NC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1)[C@@H]1CCNC(=O)C1 ZINC001571232710 953188579 /nfs/dbraw/zinc/18/85/79/953188579.db2.gz JOTRLADZDXFGJI-CYBMUJFWSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 ZINC001571232874 953189476 /nfs/dbraw/zinc/18/94/76/953189476.db2.gz LPOKDCQKGWUJJW-XJKCOSOUSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 ZINC001571232874 953189479 /nfs/dbraw/zinc/18/94/79/953189479.db2.gz LPOKDCQKGWUJJW-XJKCOSOUSA-N 0 3 383.456 0.329 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571232917 953189977 /nfs/dbraw/zinc/18/99/77/953189977.db2.gz MFUWSKUWSFARJY-BVUBDWEXSA-N 0 3 383.456 0.505 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571232917 953189979 /nfs/dbraw/zinc/18/99/79/953189979.db2.gz MFUWSKUWSFARJY-BVUBDWEXSA-N 0 3 383.456 0.505 20 0 GCADHN O=C([C@H]1CCNC(=O)C1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571233422 953192129 /nfs/dbraw/zinc/19/21/29/953192129.db2.gz UXPKQDJTBSDCEX-ZFWWWQNUSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@H]1CCNC(=O)C1)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571233422 953192132 /nfs/dbraw/zinc/19/21/32/953192132.db2.gz UXPKQDJTBSDCEX-ZFWWWQNUSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H]([NH2+]Cc1cnn(C)c1)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571233365 953192262 /nfs/dbraw/zinc/19/22/62/953192262.db2.gz SXRYWWIYADCYRL-LBPRGKRZSA-N 0 3 383.460 0.959 20 0 GCADHN O=C([C@H]1CCNC(=O)C1)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571233375 953192453 /nfs/dbraw/zinc/19/24/53/953192453.db2.gz TVVNCBYUTFJIAY-HNNXBMFYSA-N 0 3 383.456 0.474 20 0 GCADHN O=C([C@H]1CCNC(=O)C1)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571233375 953192456 /nfs/dbraw/zinc/19/24/56/953192456.db2.gz TVVNCBYUTFJIAY-HNNXBMFYSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C[NH2+]Cc1cncn1C ZINC001571233425 953192510 /nfs/dbraw/zinc/19/25/10/953192510.db2.gz UYXSSUXRECEOJJ-OLZOCXBDSA-N 0 3 383.460 0.816 20 0 GCADHN CCn1cc(CC[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571233448 953193043 /nfs/dbraw/zinc/19/30/43/953193043.db2.gz VNFJETIRVXUCBO-TZMCWYRMSA-N 0 3 383.460 0.847 20 0 GCADHN CCn1cc(CC[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571233448 953193046 /nfs/dbraw/zinc/19/30/46/953193046.db2.gz VNFJETIRVXUCBO-TZMCWYRMSA-N 0 3 383.460 0.847 20 0 GCADHN O=C([C@@H]1CCNC(=O)CC1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571233566 953193650 /nfs/dbraw/zinc/19/36/50/953193650.db2.gz YADLKCGEPHODOT-HOTGVXAUSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C[NH2+]Cc1cncn1C ZINC001571233613 953194682 /nfs/dbraw/zinc/19/46/82/953194682.db2.gz YLFFGWMSFPMQQP-JSGCOSHPSA-N 0 3 383.460 0.816 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001571234420 953202245 /nfs/dbraw/zinc/20/22/45/953202245.db2.gz WZEVZMQMKPYQHL-VNHYZAJKSA-N 0 3 383.460 0.239 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001571234420 953202247 /nfs/dbraw/zinc/20/22/47/953202247.db2.gz WZEVZMQMKPYQHL-VNHYZAJKSA-N 0 3 383.460 0.239 20 0 GCADHN O=C(Cn1ccnc1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571241839 953250297 /nfs/dbraw/zinc/25/02/97/953250297.db2.gz MUBXOABZQLPBFA-AWEZNQCLSA-N 0 3 384.419 0.841 20 0 GCADHN O=C(Cn1ccnc1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571241839 953250301 /nfs/dbraw/zinc/25/03/01/953250301.db2.gz MUBXOABZQLPBFA-AWEZNQCLSA-N 0 3 384.419 0.841 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3=CCOCC3)C2)cc1-c1nnn[n-]1 ZINC001571241895 953250922 /nfs/dbraw/zinc/25/09/22/953250922.db2.gz OYIJIVWBYOKWBJ-SHTZXODSSA-N 0 3 384.440 0.959 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3=CCOCC3)C2)cc1-c1nn[n-]n1 ZINC001571241895 953250925 /nfs/dbraw/zinc/25/09/25/953250925.db2.gz OYIJIVWBYOKWBJ-SHTZXODSSA-N 0 3 384.440 0.959 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571242252 953254591 /nfs/dbraw/zinc/25/45/91/953254591.db2.gz XXRCVFNKISRPRB-QCEMKRCNSA-N 0 3 384.440 0.660 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571242252 953254592 /nfs/dbraw/zinc/25/45/92/953254592.db2.gz XXRCVFNKISRPRB-QCEMKRCNSA-N 0 3 384.440 0.660 20 0 GCADHN CC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001571246371 953282476 /nfs/dbraw/zinc/28/24/76/953282476.db2.gz ZJHMNDTXTDAXEW-OLZOCXBDSA-N 0 3 384.448 0.317 20 0 GCADHN CC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1[NH2+]CCn1cncn1 ZINC001571246371 953282479 /nfs/dbraw/zinc/28/24/79/953282479.db2.gz ZJHMNDTXTDAXEW-OLZOCXBDSA-N 0 3 384.448 0.317 20 0 GCADHN O=C(N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571248530 953294115 /nfs/dbraw/zinc/29/41/15/953294115.db2.gz FSLOKLBIKLSRCG-ZDUSSCGKSA-N 0 3 384.444 0.154 20 0 GCADHN O=C(N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571248530 953294113 /nfs/dbraw/zinc/29/41/13/953294113.db2.gz FSLOKLBIKLSRCG-ZDUSSCGKSA-N 0 3 384.444 0.154 20 0 GCADHN O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2)N1CCC1 ZINC001571250352 953310500 /nfs/dbraw/zinc/31/05/00/953310500.db2.gz QXSIGTKJSOSIAI-ZIAGYGMSSA-N 0 3 384.444 0.058 20 0 GCADHN Cc1nc(N2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571252244 953325076 /nfs/dbraw/zinc/32/50/76/953325076.db2.gz IPPBVQDUQYHUHQ-GJZGRUSLSA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571252244 953325078 /nfs/dbraw/zinc/32/50/78/953325078.db2.gz IPPBVQDUQYHUHQ-GJZGRUSLSA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571252244 953325080 /nfs/dbraw/zinc/32/50/80/953325080.db2.gz IPPBVQDUQYHUHQ-GJZGRUSLSA-N 0 3 384.488 0.997 20 0 GCADHN Cc1nc(N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571252244 953325082 /nfs/dbraw/zinc/32/50/82/953325082.db2.gz IPPBVQDUQYHUHQ-GJZGRUSLSA-N 0 3 384.488 0.997 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571252902 953334220 /nfs/dbraw/zinc/33/42/20/953334220.db2.gz YODJTBYAJIEVQJ-HUUCEWRRSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571252902 953334222 /nfs/dbraw/zinc/33/42/22/953334222.db2.gz YODJTBYAJIEVQJ-HUUCEWRRSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571252902 953334224 /nfs/dbraw/zinc/33/42/24/953334224.db2.gz YODJTBYAJIEVQJ-HUUCEWRRSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571252902 953334225 /nfs/dbraw/zinc/33/42/25/953334225.db2.gz YODJTBYAJIEVQJ-HUUCEWRRSA-N 0 3 384.488 0.949 20 0 GCADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)NC3CC[NH+](CC(=O)[O-])CC3)cc21 ZINC001593702397 954133121 /nfs/dbraw/zinc/13/31/21/954133121.db2.gz QUMSYJGPMVPCLW-UHFFFAOYSA-N 0 3 389.456 0.582 20 0 GCADHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594199306 959228340 /nfs/dbraw/zinc/22/83/40/959228340.db2.gz KDVURWUYQZPDBY-GJZGRUSLSA-N 0 3 385.509 0.023 20 0 GCADHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594199306 959228352 /nfs/dbraw/zinc/22/83/52/959228352.db2.gz KDVURWUYQZPDBY-GJZGRUSLSA-N 0 3 385.509 0.023 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCC3OCCO3)C(=O)[O-])CC2)CC1 ZINC001596408540 983984592 /nfs/dbraw/zinc/98/45/92/983984592.db2.gz OCVDTAAFFIMWFH-KRWDZBQOSA-N 0 3 397.516 0.905 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC2)CC1 ZINC001596409239 983990241 /nfs/dbraw/zinc/99/02/41/983990241.db2.gz MFJCOSSZEVZYEN-KBPBESRZSA-N 0 3 382.505 0.277 20 0 GCADHN CN1CCN(C(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C(=O)[O-])C1 ZINC001598604644 993625327 /nfs/dbraw/zinc/62/53/27/993625327.db2.gz VXAJECPLSBBTKP-PXNSSMCTSA-N 0 3 375.469 0.488 20 0 GCADHN CN1CCN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C(=O)[O-])C1 ZINC001598604644 993625333 /nfs/dbraw/zinc/62/53/33/993625333.db2.gz VXAJECPLSBBTKP-PXNSSMCTSA-N 0 3 375.469 0.488 20 0 GCADHN C[N@@H+]1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@H](C(=O)[O-])C1 ZINC001598608491 993720146 /nfs/dbraw/zinc/72/01/46/993720146.db2.gz YWHYPZZIHXGGFU-GOSISDBHSA-N 0 3 389.500 0.951 20 0 GCADHN C[N@H+]1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@H](C(=O)[O-])C1 ZINC001598608491 993720155 /nfs/dbraw/zinc/72/01/55/993720155.db2.gz YWHYPZZIHXGGFU-GOSISDBHSA-N 0 3 389.500 0.951 20 0 GCADHN C[C@@H](N[C@H]1CCO[C@H]1C(=O)[O-])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001593356441 995001821 /nfs/dbraw/zinc/00/18/21/995001821.db2.gz GOQWVFLSJCZPJC-FHLIZLRMSA-N 0 3 375.469 0.987 20 0 GCADHN Cn1c2[n-]c(C[NH2+][C@](C)(CO)Cc3ccccc3F)nc2c(=O)n(C)c1=O ZINC001198218736 1126154846 /nfs/dbraw/zinc/15/48/46/1126154846.db2.gz JSMSQIUZUINXOB-SFHVURJKSA-N 0 3 375.404 0.183 20 0 GCADHN O=C(CS(=O)(=O)c1cccc(Br)c1)NC[C@H]1CNCCO1 ZINC000643603415 530152494 /nfs/dbraw/zinc/15/24/94/530152494.db2.gz SVRFVNPBGBQTEP-LLVKDONJSA-N 0 3 377.260 0.327 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1Br ZINC000124361138 530156100 /nfs/dbraw/zinc/15/61/00/530156100.db2.gz VGCAWOXBMLIZJT-SNVBAGLBSA-N 0 3 378.292 0.721 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CCO1 ZINC000116796815 530115174 /nfs/dbraw/zinc/11/51/74/530115174.db2.gz IBFCHWZYYBOANS-LLVKDONJSA-N 0 3 388.262 0.903 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000583922124 530116241 /nfs/dbraw/zinc/11/62/41/530116241.db2.gz WPSCSMXOHJLAIN-ZDUSSCGKSA-N 0 3 386.221 0.576 20 0 GCADHN C[C@@H]1[C@H](C)NCCN1C(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000648127944 530118579 /nfs/dbraw/zinc/11/85/79/530118579.db2.gz SAOUZYKMNIHGFZ-WDEREUQCSA-N 0 3 390.303 0.936 20 0 GCADHN CN(C)c1ncc(CNC2CCN(S(=O)(=O)N3CCOCC3)CC2)s1 ZINC000605322604 530118989 /nfs/dbraw/zinc/11/89/89/530118989.db2.gz LYIKEKQJGVYIFI-UHFFFAOYSA-N 0 3 389.547 0.340 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H]3CNCCO3)C2)s1 ZINC000333308796 530123395 /nfs/dbraw/zinc/12/33/95/530123395.db2.gz RIBNCPRZRQZVEC-KBPBESRZSA-N 0 3 387.527 0.562 20 0 GCADHN O=S(=O)(N[C@H]1CNCC[C@H]1c1ccc(F)c(F)c1)N1CCCOCC1 ZINC000658391452 530156782 /nfs/dbraw/zinc/15/67/82/530156782.db2.gz HTIDMDIDGBGYSJ-BBRMVZONSA-N 0 3 375.441 0.967 20 0 GCADHN COCCNc1nc(N[C@H]2CS[C@H](C)C2)nc(N[C@@H]2CS[C@H](C)C2)n1 ZINC000413519146 530132975 /nfs/dbraw/zinc/13/29/75/530132975.db2.gz OHIASLRHXXJWJR-LPWJVIDDSA-N 0 3 384.575 0.807 20 0 GCADHN C[C@@H](CNC(=O)C1(S(C)(=O)=O)CCNCC1)N1CCc2sccc2C1 ZINC000262323552 530133471 /nfs/dbraw/zinc/13/34/71/530133471.db2.gz FOTKRZXTLAIDPA-ZDUSSCGKSA-N 0 3 385.555 0.778 20 0 GCADHN CC(C)CN1CCC[C@H](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000533444358 530134181 /nfs/dbraw/zinc/13/41/81/530134181.db2.gz OZVWFRBGIMXDEH-CQSZACIVSA-N 0 3 389.543 0.980 20 0 GCADHN CS(=O)(=O)C1(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCNCC1 ZINC000262386334 530134405 /nfs/dbraw/zinc/13/44/05/530134405.db2.gz NRTBKYAPXXEWLA-UHFFFAOYSA-N 0 3 386.905 0.550 20 0 GCADHN Cn1cc(Br)c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)n1 ZINC000645252728 530135633 /nfs/dbraw/zinc/13/56/33/530135633.db2.gz CVDZPTFWIXPRRO-LBPRGKRZSA-N 0 3 384.278 0.737 20 0 GCADHN COC[C@@H](O)CNCCNS(=O)(=O)c1cc(C)ccc1Br ZINC000571637058 530137111 /nfs/dbraw/zinc/13/71/11/530137111.db2.gz ZCSJZOGNCLPFJF-NSHDSACASA-N 0 3 381.292 0.633 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413808320 530137527 /nfs/dbraw/zinc/13/75/27/530137527.db2.gz HSQCEMRICFCPGC-UONOGXRCSA-N 0 3 381.564 0.010 20 0 GCADHN CC[C@H](NC[C@H](O)Cn1ccnn1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414171843 530140470 /nfs/dbraw/zinc/14/04/70/530140470.db2.gz DDMZDXHYAGNGDA-JSGCOSHPSA-N 0 3 387.893 0.941 20 0 GCADHN CN(C)CCOCCNC(=O)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000584014236 530140742 /nfs/dbraw/zinc/14/07/42/530140742.db2.gz GOQCPAOJVJFSFW-UHFFFAOYSA-N 0 3 382.408 0.815 20 0 GCADHN COCCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000263708428 530144619 /nfs/dbraw/zinc/14/46/19/530144619.db2.gz DANSWHXDVKLEIF-AWEZNQCLSA-N 0 3 389.543 0.904 20 0 GCADHN COCCN(C)CCNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000263777408 530145752 /nfs/dbraw/zinc/14/57/52/530145752.db2.gz OBYPDCNRGXQVIL-UHFFFAOYSA-N 0 3 394.291 0.405 20 0 GCADHN COCCN(C)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000263788243 530146353 /nfs/dbraw/zinc/14/63/53/530146353.db2.gz QCVUIMZNSLIASP-UHFFFAOYSA-N 0 3 389.543 0.770 20 0 GCADHN COCCN(C)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000263785408 530146527 /nfs/dbraw/zinc/14/65/27/530146527.db2.gz PLMSHTWBARUGEJ-CYBMUJFWSA-N 0 3 375.516 0.596 20 0 GCADHN CC(C(=O)N(C)CC(=O)Nc1ccc(Br)cn1)S(C)(=O)=O ZINC000263923445 530148652 /nfs/dbraw/zinc/14/86/52/530148652.db2.gz QPSWLIMYZLWSAC-QMMMGPOBSA-N 0 3 378.248 0.674 20 0 GCADHN CCc1nc(S(=O)(=O)C(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)sc1C ZINC000650194505 530150187 /nfs/dbraw/zinc/15/01/87/530150187.db2.gz JQGJNKFNUNOJED-GHMZBOCLSA-N 0 3 394.540 0.822 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655346892 530188903 /nfs/dbraw/zinc/18/89/03/530188903.db2.gz LIPHOHRKHOCFRM-RYUDHWBXSA-N 0 3 385.262 0.845 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655346892 530188905 /nfs/dbraw/zinc/18/89/05/530188905.db2.gz LIPHOHRKHOCFRM-RYUDHWBXSA-N 0 3 385.262 0.845 20 0 GCADHN Cc1nc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)sc1SCC(N)=O ZINC000265878623 530191833 /nfs/dbraw/zinc/19/18/33/530191833.db2.gz IJWJRVRDISPDLS-JTQLQIEISA-N 0 3 385.515 0.378 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)c1ccsc1 ZINC000557524749 530196853 /nfs/dbraw/zinc/19/68/53/530196853.db2.gz LKTZMOCKNWOTSL-AWEZNQCLSA-N 0 3 376.548 0.985 20 0 GCADHN CS[C@H]1CN(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@H]1N(C)C ZINC000516897140 530197385 /nfs/dbraw/zinc/19/73/85/530197385.db2.gz CRGMKUFGTIACRV-OLZOCXBDSA-N 0 3 376.479 0.982 20 0 GCADHN CS[C@@H]1CN(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@@H]1N(C)C ZINC000516897141 530197553 /nfs/dbraw/zinc/19/75/53/530197553.db2.gz CRGMKUFGTIACRV-QWHCGFSZSA-N 0 3 376.479 0.982 20 0 GCADHN C[C@H](C[S@](C)=O)Nc1nc(N[C@H](C)C[S@@](C)=O)nc(NC(C)(C)C)n1 ZINC000557632440 530198784 /nfs/dbraw/zinc/19/87/84/530198784.db2.gz TYXOWJRNTDWKKW-PCRWKLSXSA-N 0 3 390.579 0.284 20 0 GCADHN O=S(=O)([N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2c1OCO2 ZINC000517759110 530199458 /nfs/dbraw/zinc/19/94/58/530199458.db2.gz ISFUBPUDTHENPH-LBPRGKRZSA-N 0 3 381.376 0.530 20 0 GCADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000266335410 530199976 /nfs/dbraw/zinc/19/99/76/530199976.db2.gz UKJBMRRKKMKTJM-CYBMUJFWSA-N 0 3 375.516 0.700 20 0 GCADHN CCN(CC[NH3+])S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000624381639 530201472 /nfs/dbraw/zinc/20/14/72/530201472.db2.gz YLLRRQABPJBZEW-UHFFFAOYSA-N 0 3 389.421 0.497 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1F ZINC000624408199 530203938 /nfs/dbraw/zinc/20/39/38/530203938.db2.gz JBPKAIKNZFOKDF-UHFFFAOYSA-N 0 3 397.494 0.620 20 0 GCADHN CN(C)S(=O)(=O)c1cc(C(=O)NCC2(O)CCN(C)CC2)ccc1Cl ZINC000266787807 530204442 /nfs/dbraw/zinc/20/44/42/530204442.db2.gz VANBASSQJKPWCB-UHFFFAOYSA-N 0 3 389.905 0.777 20 0 GCADHN C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000530827025 530162256 /nfs/dbraw/zinc/16/22/56/530162256.db2.gz RYBVDYHUMOTIKM-GFCCVEGCSA-N 0 3 399.289 0.902 20 0 GCADHN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000530827025 530162259 /nfs/dbraw/zinc/16/22/59/530162259.db2.gz RYBVDYHUMOTIKM-GFCCVEGCSA-N 0 3 399.289 0.902 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000530869479 530165055 /nfs/dbraw/zinc/16/50/55/530165055.db2.gz LLZWURNSLYDTBO-OAHLLOKOSA-N 0 3 376.523 0.163 20 0 GCADHN CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H](C)C[NH3+] ZINC000521046264 530167997 /nfs/dbraw/zinc/16/79/97/530167997.db2.gz HMVXKOKUKGACSP-YPMHNXCESA-N 0 3 377.507 0.937 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000539026228 530176110 /nfs/dbraw/zinc/17/61/10/530176110.db2.gz HZUXZOCCIYHCGS-AGIUHOORSA-N 0 3 383.605 0.551 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CCO1 ZINC000265340835 530179806 /nfs/dbraw/zinc/17/98/06/530179806.db2.gz HZGWWPQVOYKMFH-ZIAGYGMSSA-N 0 3 387.527 0.690 20 0 GCADHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000584099478 530184684 /nfs/dbraw/zinc/18/46/84/530184684.db2.gz IGVNCEFLZLFTBB-RWMBFGLXSA-N 0 3 377.532 0.653 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cccs1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000265568679 530185718 /nfs/dbraw/zinc/18/57/18/530185718.db2.gz GXBGUICTOYGQBI-ZDUSSCGKSA-N 0 3 387.527 0.644 20 0 GCADHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000408433657 530187190 /nfs/dbraw/zinc/18/71/90/530187190.db2.gz NETLOGYMDHENEH-OAHLLOKOSA-N 0 3 396.579 0.053 20 0 GCADHN Cc1ccc(I)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000564472075 530251148 /nfs/dbraw/zinc/25/11/48/530251148.db2.gz WIYJWUYNQQENEN-GWCFXTLKSA-N 0 3 399.232 0.984 20 0 GCADHN COCC[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000517938353 530223073 /nfs/dbraw/zinc/22/30/73/530223073.db2.gz OSMVFMNWLKCSOS-UHFFFAOYSA-N 0 3 383.392 0.336 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1nn(C)cc1Br ZINC000293167349 530224711 /nfs/dbraw/zinc/22/47/11/530224711.db2.gz VEBPYCUUZZDVJV-GFCCVEGCSA-N 0 3 386.294 0.855 20 0 GCADHN CN(CCNS(=O)(=O)c1ccccc1)C1CCN(S(C)(=O)=O)CC1 ZINC000268390677 530226425 /nfs/dbraw/zinc/22/64/25/530226425.db2.gz QJXFMLHUDLHWAR-UHFFFAOYSA-N 0 3 375.516 0.321 20 0 GCADHN COC(=O)C(C)(C)CS(=O)(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000588896017 530226820 /nfs/dbraw/zinc/22/68/20/530226820.db2.gz HVTMZVWCTDGFAO-LSDHHAIUSA-N 0 3 376.519 0.873 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c(OC)c1 ZINC000647201493 530227003 /nfs/dbraw/zinc/22/70/03/530227003.db2.gz PXICTONQNHNAMX-CYBMUJFWSA-N 0 3 391.515 0.877 20 0 GCADHN O=C(CNC[C@@H](O)COc1ccc(Cl)cc1Br)NCCO ZINC000518376064 530228079 /nfs/dbraw/zinc/22/80/79/530228079.db2.gz WPEJFWRPWVHXFY-SNVBAGLBSA-N 0 3 381.654 0.540 20 0 GCADHN O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCCN1CCCCCC1 ZINC000268582028 530229571 /nfs/dbraw/zinc/22/95/71/530229571.db2.gz FGPQHTMQUMAKBH-UHFFFAOYSA-N 0 3 389.543 0.760 20 0 GCADHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268642601 530230666 /nfs/dbraw/zinc/23/06/66/530230666.db2.gz RTOIWYDUQLVWHU-GDBMZVCRSA-N 0 3 389.543 0.567 20 0 GCADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000268628046 530230678 /nfs/dbraw/zinc/23/06/78/530230678.db2.gz NYMSMDQLCKMUHJ-OAHLLOKOSA-N 0 3 389.543 0.711 20 0 GCADHN CCCN(CC)CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268664995 530231249 /nfs/dbraw/zinc/23/12/49/530231249.db2.gz YEVVIJQQMLSWBR-UHFFFAOYSA-N 0 3 377.532 0.616 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)c(F)c1 ZINC000518546582 530233737 /nfs/dbraw/zinc/23/37/37/530233737.db2.gz MPIJORNNRGQFGY-UHFFFAOYSA-N 0 3 376.454 0.443 20 0 GCADHN N[C@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000269061124 530234951 /nfs/dbraw/zinc/23/49/51/530234951.db2.gz KKDFWPDDNHPEKN-CYBMUJFWSA-N 0 3 379.404 0.987 20 0 GCADHN CC(C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000269145306 530235624 /nfs/dbraw/zinc/23/56/24/530235624.db2.gz NWZWQWAKIUGPKW-LBPRGKRZSA-N 0 3 387.889 0.856 20 0 GCADHN COCCNCCNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000569459537 530235770 /nfs/dbraw/zinc/23/57/70/530235770.db2.gz UIZJCGWMDDBYOF-UHFFFAOYSA-N 0 3 379.276 0.575 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)CC[N-]S(=O)(=O)c3cccs3)C[C@H]2[NH3+])cn1 ZINC000569487329 530236811 /nfs/dbraw/zinc/23/68/11/530236811.db2.gz BVBJISCEKSFZNF-QWHCGFSZSA-N 0 3 383.499 0.103 20 0 GCADHN O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)NC1CCN(C2CC2)CC1 ZINC000269843346 530251876 /nfs/dbraw/zinc/25/18/76/530251876.db2.gz WAQHVQZFQLUOQS-AWEZNQCLSA-N 0 3 387.527 0.809 20 0 GCADHN CSC1(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCN(C)CC1 ZINC000569511816 530237680 /nfs/dbraw/zinc/23/76/80/530237680.db2.gz BEHHGJTXWRFKIR-UHFFFAOYSA-N 0 3 393.556 0.440 20 0 GCADHN CSc1nnc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)s1 ZINC000569532426 530237934 /nfs/dbraw/zinc/23/79/34/530237934.db2.gz UWNMONXDJNXRSF-LLVKDONJSA-N 0 3 387.531 0.445 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(C)s2)C1 ZINC000269387134 530240170 /nfs/dbraw/zinc/24/01/70/530240170.db2.gz ZVXXTUARGSSCTN-ZDUSSCGKSA-N 0 3 390.531 0.355 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cccs1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000269434925 530240887 /nfs/dbraw/zinc/24/08/87/530240887.db2.gz ROBNUHCFFCBTQM-ZDUSSCGKSA-N 0 3 375.516 0.380 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cccs1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000269434925 530240889 /nfs/dbraw/zinc/24/08/89/530240889.db2.gz ROBNUHCFFCBTQM-ZDUSSCGKSA-N 0 3 375.516 0.380 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000269447248 530241317 /nfs/dbraw/zinc/24/13/17/530241317.db2.gz UFTWENNGNKPLKP-KBPBESRZSA-N 0 3 389.543 0.768 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000269447248 530241318 /nfs/dbraw/zinc/24/13/18/530241318.db2.gz UFTWENNGNKPLKP-KBPBESRZSA-N 0 3 389.543 0.768 20 0 GCADHN N[C@@H]1C[C@@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)CCN2C1=O ZINC000600707504 530241642 /nfs/dbraw/zinc/24/16/42/530241642.db2.gz BGNNBRUZVNLZPE-NFAWXSAZSA-N 0 3 393.285 0.946 20 0 GCADHN COCCN(CCN(C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000269482027 530241759 /nfs/dbraw/zinc/24/17/59/530241759.db2.gz QVIJNCPABJRXKY-UHFFFAOYSA-N 0 3 392.547 0.554 20 0 GCADHN CN(C)CCSCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000531032776 530246419 /nfs/dbraw/zinc/24/64/19/530246419.db2.gz YDVVMSVABNRMRF-UHFFFAOYSA-N 0 3 385.555 0.955 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000269747475 530247113 /nfs/dbraw/zinc/24/71/13/530247113.db2.gz AXRNMJQWSOEFLJ-UHFFFAOYSA-N 0 3 389.909 0.492 20 0 GCADHN CN(C)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ncc1Br ZINC000584302773 530248045 /nfs/dbraw/zinc/24/80/45/530248045.db2.gz NNWSNKCWCQGSPR-ONGXEEELSA-N 0 3 397.277 0.686 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CCN2CCC([NH+](C)C)CC2)s1 ZINC000267237058 530210680 /nfs/dbraw/zinc/21/06/80/530210680.db2.gz WWOQGANYKGVYPU-UHFFFAOYSA-N 0 3 388.559 0.689 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCSC1 ZINC000267419777 530212491 /nfs/dbraw/zinc/21/24/91/530212491.db2.gz ZITXPUURQSEPSC-INIZCTEOSA-N 0 3 384.889 0.931 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000066382189 530213660 /nfs/dbraw/zinc/21/36/60/530213660.db2.gz FOABHSXVUTZKNI-CYBMUJFWSA-N 0 3 377.536 0.444 20 0 GCADHN CC(C)(CCS(=O)(=O)NCCCCN1CCC[C@H]1CO)S(C)(=O)=O ZINC000566020455 530213953 /nfs/dbraw/zinc/21/39/53/530213953.db2.gz QIAIKFDOPSDFCH-AWEZNQCLSA-N 0 3 384.564 0.356 20 0 GCADHN O=S1(=O)CCO[C@@H](CNC[C@H](O)COc2cccc(Br)c2)C1 ZINC000566112188 530221676 /nfs/dbraw/zinc/22/16/76/530221676.db2.gz RRIYMFVEAGRIBE-JSGCOSHPSA-N 0 3 394.287 0.592 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000269827502 530251138 /nfs/dbraw/zinc/25/11/38/530251138.db2.gz ZKYSEYYZARFKCA-GFCCVEGCSA-N 0 3 387.893 0.244 20 0 GCADHN CCN1CCN(CCNC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000271307680 530271293 /nfs/dbraw/zinc/27/12/93/530271293.db2.gz RYYXIZIATNRCFG-UHFFFAOYSA-N 0 3 381.278 0.859 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)NCCNS(=O)(=O)c3cccc(Cl)c3)C[C@@H]21 ZINC000562582558 530294091 /nfs/dbraw/zinc/29/40/91/530294091.db2.gz UIJXNOKSOWNBQO-DOMZBBRYSA-N 0 3 386.905 0.964 20 0 GCADHN CC[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC[C@H]1[NH3+] ZINC000647269304 530272143 /nfs/dbraw/zinc/27/21/43/530272143.db2.gz QAJOLADNBGEKEL-GXFFZTMASA-N 0 3 379.479 0.945 20 0 GCADHN CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@H](CN)C1 ZINC000572600429 530276854 /nfs/dbraw/zinc/27/68/54/530276854.db2.gz UYTLDSGUMJJJDS-SWLSCSKDSA-N 0 3 395.301 0.903 20 0 GCADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000124977651 530276934 /nfs/dbraw/zinc/27/69/34/530276934.db2.gz XFPZYKFVHQPYMS-SNVBAGLBSA-N 0 3 387.278 0.933 20 0 GCADHN CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000125572842 530277580 /nfs/dbraw/zinc/27/75/80/530277580.db2.gz XIUJKXAOSMVOAG-NSHDSACASA-N 0 3 385.262 0.639 20 0 GCADHN CS[C@H]1CN(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C[C@H]1N(C)C ZINC000272005181 530277896 /nfs/dbraw/zinc/27/78/96/530277896.db2.gz IYBBBAJOKDXUHV-KGLIPLIRSA-N 0 3 386.543 0.558 20 0 GCADHN CS[C@@H]1CN(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C[C@H]1N(C)C ZINC000272005187 530277986 /nfs/dbraw/zinc/27/79/86/530277986.db2.gz IYBBBAJOKDXUHV-ZIAGYGMSSA-N 0 3 386.543 0.558 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCCN1CCN(C)CC1 ZINC000125998095 530278873 /nfs/dbraw/zinc/27/88/73/530278873.db2.gz WGAZIPYCBAGGHJ-AWEZNQCLSA-N 0 3 388.559 0.559 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561553554 530280711 /nfs/dbraw/zinc/28/07/11/530280711.db2.gz VHHFGMCKUMJENX-NWDGAFQWSA-N 0 3 388.456 0.982 20 0 GCADHN CCNC(=O)NC(=O)[C@@H](C)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000561788386 530284210 /nfs/dbraw/zinc/28/42/10/530284210.db2.gz YHHYHYDCRKLXEX-CHWSQXEVSA-N 0 3 376.523 0.603 20 0 GCADHN CCN(C)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000273007571 530284780 /nfs/dbraw/zinc/28/47/80/530284780.db2.gz QNZIKVPTYLWACK-ZFWWWQNUSA-N 0 3 389.905 0.532 20 0 GCADHN O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCN(c2ccncc2)CC1 ZINC000635133251 530285264 /nfs/dbraw/zinc/28/52/64/530285264.db2.gz RSKKWPDCUUHJDR-OLZOCXBDSA-N 0 3 377.388 0.953 20 0 GCADHN CN1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)[C@H](CN)C1 ZINC000658372848 530288619 /nfs/dbraw/zinc/28/86/19/530288619.db2.gz OUGCIVRKRQNGBE-GFCCVEGCSA-N 0 3 380.283 0.993 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000273604709 530289616 /nfs/dbraw/zinc/28/96/16/530289616.db2.gz KCZKAKSQFLHZKF-LBPRGKRZSA-N 0 3 384.278 0.561 20 0 GCADHN Cc1cc(S(=O)(=O)NCCNC(=O)NC[C@](C)(O)CN(C)C)c(C)s1 ZINC000269951136 530254831 /nfs/dbraw/zinc/25/48/31/530254831.db2.gz YEQGBAGIKNICEA-HNNXBMFYSA-N 0 3 392.547 0.255 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)CCNS(=O)(=O)c1cccs1 ZINC000110867719 530258601 /nfs/dbraw/zinc/25/86/01/530258601.db2.gz LSAAMSVOLYVYGN-UHFFFAOYSA-N 0 3 388.559 0.512 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)ccc1OC ZINC000270425262 530259610 /nfs/dbraw/zinc/25/96/10/530259610.db2.gz DXQYKBSSMOQNPI-TZMCWYRMSA-N 0 3 387.527 0.721 20 0 GCADHN COCCN(C)CCNC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000588932416 530261581 /nfs/dbraw/zinc/26/15/81/530261581.db2.gz FOAAANPHHJZFKI-UHFFFAOYSA-N 0 3 391.515 0.077 20 0 GCADHN O=C(CC[N-]S(=O)(=O)c1cccs1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000270626945 530262197 /nfs/dbraw/zinc/26/21/97/530262197.db2.gz ILBMZOGJUHDSPW-CQSZACIVSA-N 0 3 389.543 0.770 20 0 GCADHN O=C(CC[N-]S(=O)(=O)c1cccs1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000270626945 530262200 /nfs/dbraw/zinc/26/22/00/530262200.db2.gz ILBMZOGJUHDSPW-CQSZACIVSA-N 0 3 389.543 0.770 20 0 GCADHN CN1CCN(CCCNC(=O)c2cc(I)c[nH]2)CC1 ZINC000115320222 530263337 /nfs/dbraw/zinc/26/33/37/530263337.db2.gz ALQKNVGUGPSDLE-UHFFFAOYSA-N 0 3 376.242 0.987 20 0 GCADHN C[NH+](C)CC[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(C)(C)C ZINC000116231132 530264832 /nfs/dbraw/zinc/26/48/32/530264832.db2.gz ZUNYDUNDDPIXBX-NSHDSACASA-N 0 3 389.294 0.782 20 0 GCADHN COCCN(C)CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000588934962 530266943 /nfs/dbraw/zinc/26/69/43/530266943.db2.gz XYKIYMLDENTSET-UHFFFAOYSA-N 0 3 398.257 0.740 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCCN(C(C)C)CC1)S(C)(=O)=O ZINC000075938846 530267207 /nfs/dbraw/zinc/26/72/07/530267207.db2.gz QLVDULSQQBOICE-UHFFFAOYSA-N 0 3 376.567 0.579 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccncc2Br)CC1=O ZINC000560587218 530267616 /nfs/dbraw/zinc/26/76/16/530267616.db2.gz WTHFXMJYYUDPOB-GFCCVEGCSA-N 0 3 399.289 0.753 20 0 GCADHN COCCNCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000271134068 530268265 /nfs/dbraw/zinc/26/82/65/530268265.db2.gz MNRPFZXBMWKTHD-UHFFFAOYSA-N 0 3 379.866 0.488 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(Br)cc1 ZINC000562821382 530295729 /nfs/dbraw/zinc/29/57/29/530295729.db2.gz VPDNMAANJLCKPR-RISCZKNCSA-N 0 3 383.290 0.728 20 0 GCADHN CCN(CCO)CCNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000274502948 530297176 /nfs/dbraw/zinc/29/71/76/530297176.db2.gz FLEPNVRCTHRQEM-UHFFFAOYSA-N 0 3 375.466 0.315 20 0 GCADHN CC(C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)S(C)(=O)=O ZINC000147431799 530298236 /nfs/dbraw/zinc/29/82/36/530298236.db2.gz CDDRIWJUBHUPTI-ZDUSSCGKSA-N 0 3 388.511 0.637 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc(OC)c(I)n1 ZINC000274581042 530298363 /nfs/dbraw/zinc/29/83/63/530298363.db2.gz SMCIBTPGXMZADR-UHFFFAOYSA-N 0 3 393.225 0.739 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)NC1CCN(CCCOC)CC1 ZINC000588969736 530300877 /nfs/dbraw/zinc/30/08/77/530300877.db2.gz CWXUDSCEZICYEV-UHFFFAOYSA-N 0 3 378.539 0.458 20 0 GCADHN CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@@H](CN)C2)c1 ZINC000274859055 530300957 /nfs/dbraw/zinc/30/09/57/530300957.db2.gz ZTMJQINJBLXCFR-VIFPVBQESA-N 0 3 377.260 0.652 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)NCCCN1CCC(O)CC1 ZINC000136130112 530302377 /nfs/dbraw/zinc/30/23/77/530302377.db2.gz DDXADWFPWYXTQG-UHFFFAOYSA-N 0 3 386.290 0.964 20 0 GCADHN CN(C)CCn1cc(NS(=O)(=O)c2cnn(CC(F)F)c2)ccc1=O ZINC000274999483 530303784 /nfs/dbraw/zinc/30/37/84/530303784.db2.gz GKZBJIOXDRJHAA-UHFFFAOYSA-N 0 3 375.401 0.672 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000298491414 530307076 /nfs/dbraw/zinc/30/70/76/530307076.db2.gz MGDVLAPFCJWWSE-HOTGVXAUSA-N 0 3 387.527 0.842 20 0 GCADHN CN(C)CCN(C)CCCN(C)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC000635934395 530308356 /nfs/dbraw/zinc/30/83/56/530308356.db2.gz PVCHRZHVFGTUKR-CHWSQXEVSA-N 0 3 387.468 0.551 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCC1 ZINC000275443583 530311958 /nfs/dbraw/zinc/31/19/58/530311958.db2.gz HLOLQLYSHFTGDG-UHFFFAOYSA-N 0 3 375.878 0.967 20 0 GCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000632368130 530312197 /nfs/dbraw/zinc/31/21/97/530312197.db2.gz CKBIWHLMYHBUPD-GXTWGEPZSA-N 0 3 387.527 0.840 20 0 GCADHN C[C@@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)CN1CCCC1 ZINC000275486355 530312251 /nfs/dbraw/zinc/31/22/51/530312251.db2.gz KBMMLVQDFXFTHH-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](N(C)C)[C@@H]2C)cc1C ZINC000632369995 530312457 /nfs/dbraw/zinc/31/24/57/530312457.db2.gz TZYKPHQTFZGWHR-JSGCOSHPSA-N 0 3 375.516 0.616 20 0 GCADHN COCCO[C@H]1COCC[C@H]1NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631115055 530312508 /nfs/dbraw/zinc/31/25/08/530312508.db2.gz NARYGNCGWLXVRR-KGLIPLIRSA-N 0 3 378.878 0.898 20 0 GCADHN COCCO[C@@H]1COCC[C@H]1NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631115057 530312631 /nfs/dbraw/zinc/31/26/31/530312631.db2.gz NARYGNCGWLXVRR-ZIAGYGMSSA-N 0 3 378.878 0.898 20 0 GCADHN CSc1nnc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000275610250 530313561 /nfs/dbraw/zinc/31/35/61/530313561.db2.gz GSOOMWVZKVXGTB-LLVKDONJSA-N 0 3 384.531 0.708 20 0 GCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275750879 530315729 /nfs/dbraw/zinc/31/57/29/530315729.db2.gz JCLHPUAUAUSTME-KGLIPLIRSA-N 0 3 389.543 0.898 20 0 GCADHN O=C(C[C@H]1CSCCN1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000570443692 530319841 /nfs/dbraw/zinc/31/98/41/530319841.db2.gz QBRAPTKAMDDQME-GJZGRUSLSA-N 0 3 375.560 0.935 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)CCOc3ccccc3Br)CCN2C1=O ZINC000570463934 530320075 /nfs/dbraw/zinc/32/00/75/530320075.db2.gz IIKJHOIBOMPBES-YPMHNXCESA-N 0 3 382.258 0.988 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000570608962 530322126 /nfs/dbraw/zinc/32/21/26/530322126.db2.gz PVWQAOHUMLCOKZ-CYBMUJFWSA-N 0 3 377.532 0.992 20 0 GCADHN CS(=O)(=O)Cc1nc(CN2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC000173646226 530327098 /nfs/dbraw/zinc/32/70/98/530327098.db2.gz NLWHDLCRYBFYLN-UHFFFAOYSA-N 0 3 386.543 0.428 20 0 GCADHN CC(C)NS(=O)(=O)NCCN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000277017176 530328495 /nfs/dbraw/zinc/32/84/95/530328495.db2.gz CTDSODZWAFARFD-LBPRGKRZSA-N 0 3 378.520 0.541 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000282269440 530369120 /nfs/dbraw/zinc/36/91/20/530369120.db2.gz UMKHRQRFEUVIPZ-CQSZACIVSA-N 0 3 387.527 0.844 20 0 GCADHN COCCN1CCC(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000281321901 530358238 /nfs/dbraw/zinc/35/82/38/530358238.db2.gz SUFOPUPMYBXPNE-UHFFFAOYSA-N 0 3 375.878 0.828 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000282264927 530369215 /nfs/dbraw/zinc/36/92/15/530369215.db2.gz UEAIFEJPFCPRFS-STQMWFEESA-N 0 3 375.516 0.555 20 0 GCADHN CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1 ZINC000281993975 530365290 /nfs/dbraw/zinc/36/52/90/530365290.db2.gz QYZUCQJZIUXDRV-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1 ZINC000281993975 530365292 /nfs/dbraw/zinc/36/52/92/530365292.db2.gz QYZUCQJZIUXDRV-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1 ZINC000281995756 530365568 /nfs/dbraw/zinc/36/55/68/530365568.db2.gz RFHYVOSEXWDJJH-ZDUSSCGKSA-N 0 3 375.516 0.557 20 0 GCADHN CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1 ZINC000281995756 530365570 /nfs/dbraw/zinc/36/55/70/530365570.db2.gz RFHYVOSEXWDJJH-ZDUSSCGKSA-N 0 3 375.516 0.557 20 0 GCADHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000179659461 530367036 /nfs/dbraw/zinc/36/70/36/530367036.db2.gz DTLPSCVSNJRGKW-UHFFFAOYSA-N 0 3 399.289 0.887 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000282116770 530367321 /nfs/dbraw/zinc/36/73/21/530367321.db2.gz HGXUPHKVIYWDPK-CYBMUJFWSA-N 0 3 375.516 0.557 20 0 GCADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000277436497 530332198 /nfs/dbraw/zinc/33/21/98/530332198.db2.gz CZIUUSXKYMWJDJ-DTWKUNHWSA-N 0 3 376.276 0.919 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000176257850 530333517 /nfs/dbraw/zinc/33/35/17/530333517.db2.gz YBUVBAVYUBWWNR-UHFFFAOYSA-N 0 3 385.515 0.350 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](CN2CCCC2)C1 ZINC000282200552 530368211 /nfs/dbraw/zinc/36/82/11/530368211.db2.gz OPGIBJWBLITJHL-CQSZACIVSA-N 0 3 387.527 0.701 20 0 GCADHN COc1cc(C(=O)NC[C@@H](N)c2ccccc2OC)sc1S(N)(=O)=O ZINC000647634205 530336557 /nfs/dbraw/zinc/33/65/57/530336557.db2.gz QLKIJRQOTGEPKS-SNVBAGLBSA-N 0 3 385.467 0.843 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCCC[C@H]1[C@H](C)CO)S(C)(=O)=O ZINC000661432800 530337166 /nfs/dbraw/zinc/33/71/66/530337166.db2.gz CLIQQWMPYVHLEQ-CVEARBPZSA-N 0 3 377.551 0.646 20 0 GCADHN Cc1nc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)ccc1Br ZINC000278091281 530337328 /nfs/dbraw/zinc/33/73/28/530337328.db2.gz NKYZMAFEDVMBDK-UHFFFAOYSA-N 0 3 385.262 0.664 20 0 GCADHN O=C(CN1CCNCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000637881277 530337734 /nfs/dbraw/zinc/33/77/34/530337734.db2.gz IUPQRAXLYFEPQV-UHFFFAOYSA-N 0 3 386.905 0.968 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](CN2CCCC2)C1 ZINC000282200548 530368292 /nfs/dbraw/zinc/36/82/92/530368292.db2.gz OPGIBJWBLITJHL-AWEZNQCLSA-N 0 3 387.527 0.701 20 0 GCADHN N[C@H]1C[C@@H]2CN(Cc3cc(=O)n4cc(Br)ccc4n3)CCN2C1=O ZINC000582132902 530368355 /nfs/dbraw/zinc/36/83/55/530368355.db2.gz BTOATMMTWOBWGB-OLZOCXBDSA-N 0 3 392.257 0.201 20 0 GCADHN CCN[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000637887654 530339858 /nfs/dbraw/zinc/33/98/58/530339858.db2.gz XRUMRXZWYVACDI-LLVKDONJSA-N 0 3 383.499 0.522 20 0 GCADHN COCCN1CC[C@H](NC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623018520 530342280 /nfs/dbraw/zinc/34/22/80/530342280.db2.gz KZWAIFKHAFDWOD-LBPRGKRZSA-N 0 3 395.261 0.875 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCCS(=O)(=O)N(C)C)CC1 ZINC000589354331 530344546 /nfs/dbraw/zinc/34/45/46/530344546.db2.gz SFGQJXWRAANAKY-CYBMUJFWSA-N 0 3 377.507 0.048 20 0 GCADHN CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000637927439 530346056 /nfs/dbraw/zinc/34/60/56/530346056.db2.gz OQEGGDLLOBOYDQ-BBRMVZONSA-N 0 3 387.527 0.784 20 0 GCADHN Cn1nc(Br)c2c1ncn(CC(=O)NC[C@H]1CCCN1C)c2=O ZINC000170727578 530348624 /nfs/dbraw/zinc/34/86/24/530348624.db2.gz GMKGFBLKRMRPFZ-SECBINFHSA-N 0 3 383.250 0.103 20 0 GCADHN CN(C)S(=O)(=O)CCNC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000563012480 530349867 /nfs/dbraw/zinc/34/98/67/530349867.db2.gz UKCIVMUOFRZKGH-GFCCVEGCSA-N 0 3 399.282 0.809 20 0 GCADHN CNS(=O)(=O)CCNCCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000563013160 530350196 /nfs/dbraw/zinc/35/01/96/530350196.db2.gz GWVWGKIUTCNIEH-UHFFFAOYSA-N 0 3 375.447 0.180 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N(C)C ZINC000643071490 530351189 /nfs/dbraw/zinc/35/11/89/530351189.db2.gz SKYAGYVIUQDQSA-SNVBAGLBSA-N 0 3 390.893 0.595 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N(C)CCN1CCCC1 ZINC000643078437 530351496 /nfs/dbraw/zinc/35/14/96/530351496.db2.gz DPXZJGSNNSMKEW-OAHLLOKOSA-N 0 3 375.539 0.385 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000172706241 530351575 /nfs/dbraw/zinc/35/15/75/530351575.db2.gz HDMUYXOMSXLQFA-GFCCVEGCSA-N 0 3 399.289 0.634 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccs1)NC1CCN([C@H]2CCOC2)CC1 ZINC000366584137 530351815 /nfs/dbraw/zinc/35/18/15/530351815.db2.gz MJDVYWMPBFFWJF-AWEZNQCLSA-N 0 3 387.527 0.786 20 0 GCADHN O=C(CN1CCNCC1)NCCCNC(=O)c1cccc(Br)c1 ZINC000637970575 530352681 /nfs/dbraw/zinc/35/26/81/530352681.db2.gz RZBOJISJQJEYAQ-UHFFFAOYSA-N 0 3 383.290 0.590 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000623023588 530353012 /nfs/dbraw/zinc/35/30/12/530353012.db2.gz OLNAMFVPHRMZSQ-UHFFFAOYSA-N 0 3 383.250 0.469 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000282422128 530371493 /nfs/dbraw/zinc/37/14/93/530371493.db2.gz FONDADVBCNSYEH-ZDUSSCGKSA-N 0 3 389.543 0.946 20 0 GCADHN CN1CCN(CCNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1(C)C ZINC000282483083 530372371 /nfs/dbraw/zinc/37/23/71/530372371.db2.gz JFVWRZVNINCKCL-UHFFFAOYSA-N 0 3 389.543 0.394 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)cs1 ZINC000282711272 530374253 /nfs/dbraw/zinc/37/42/53/530374253.db2.gz YPZZCXWTMMUNCZ-UHFFFAOYSA-N 0 3 375.516 0.839 20 0 GCADHN CCN(CCO)CCNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000183965740 530374814 /nfs/dbraw/zinc/37/48/14/530374814.db2.gz JOQWKGFWZCRDIK-UHFFFAOYSA-N 0 3 386.250 0.726 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1nc2ncc(Br)cn2n1 ZINC000184408493 530375698 /nfs/dbraw/zinc/37/56/98/530375698.db2.gz KXZNFBCIIBVHMK-NSHDSACASA-N 0 3 396.293 0.643 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)CCCN(C)C)C1 ZINC000601334000 530378251 /nfs/dbraw/zinc/37/82/51/530378251.db2.gz XSQPVLAHIJENBR-AWEZNQCLSA-N 0 3 377.507 0.001 20 0 GCADHN COc1ccc(Cl)cc1CNC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000283667319 530380751 /nfs/dbraw/zinc/38/07/51/530380751.db2.gz ZQCDLWRVVCNWCR-VIFPVBQESA-N 0 3 375.834 0.372 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000364072186 530381041 /nfs/dbraw/zinc/38/10/41/530381041.db2.gz ZEKLBZKLAAWXNV-RYUDHWBXSA-N 0 3 387.889 0.841 20 0 GCADHN CCOCCCNC(=O)C(C)S(=O)(=O)CC(=O)Nc1nc(C)cs1 ZINC000283758257 530381856 /nfs/dbraw/zinc/38/18/56/530381856.db2.gz HGSPQNLNADLGSZ-NSHDSACASA-N 0 3 377.488 0.736 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000497357252 530381913 /nfs/dbraw/zinc/38/19/13/530381913.db2.gz GJZQEDSMLWWZHU-GFCCVEGCSA-N 0 3 379.504 0.718 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)cc1F ZINC000497353194 530381944 /nfs/dbraw/zinc/38/19/44/530381944.db2.gz ZXGGZILERHKUAV-UHFFFAOYSA-N 0 3 379.479 0.947 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(OC)c1 ZINC000497362517 530382126 /nfs/dbraw/zinc/38/21/26/530382126.db2.gz HTCPJGXNRNBVAY-YPMHNXCESA-N 0 3 391.515 0.815 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H]([NH3+])C(C)C)s1 ZINC000497369171 530382736 /nfs/dbraw/zinc/38/27/36/530382736.db2.gz VCSLKBSINGQKKV-GFCCVEGCSA-N 0 3 383.561 0.492 20 0 GCADHN CNS(=O)(=O)CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000188157471 530382739 /nfs/dbraw/zinc/38/27/39/530382739.db2.gz WRTGTQCSZKQGMJ-UHFFFAOYSA-N 0 3 378.445 0.587 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(I)cn1 ZINC000193710347 530393930 /nfs/dbraw/zinc/39/39/30/530393930.db2.gz SJNOOMGRHUBYAX-UHFFFAOYSA-N 0 3 376.198 0.645 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(Br)c(C)n2)CC1 ZINC000192924075 530391984 /nfs/dbraw/zinc/39/19/84/530391984.db2.gz HJNQJYAEDBXDOX-UHFFFAOYSA-N 0 3 398.305 0.845 20 0 GCADHN COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(S(=O)(=O)CCCN2CCCC2)C1 ZINC000601472995 530393106 /nfs/dbraw/zinc/39/31/06/530393106.db2.gz AJDUBQXOFUQUHU-KGLIPLIRSA-N 0 3 376.475 0.229 20 0 GCADHN COC[C@@]1(C[N-]S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)CCC[NH2+]1 ZINC000658378918 530369684 /nfs/dbraw/zinc/36/96/84/530369684.db2.gz CNLAATJJWRECSM-INIZCTEOSA-N 0 3 387.527 0.700 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106791584 530369986 /nfs/dbraw/zinc/36/99/86/530369986.db2.gz UQPKMDBSSKQFMT-JTQLQIEISA-N 0 3 385.262 0.432 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106791584 530369988 /nfs/dbraw/zinc/36/99/88/530369988.db2.gz UQPKMDBSSKQFMT-JTQLQIEISA-N 0 3 385.262 0.432 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCCN2CC(F)F)CCSC1 ZINC000636556623 530395536 /nfs/dbraw/zinc/39/55/36/530395536.db2.gz BIWKFTQLMNEPJI-BLLLJJGKSA-N 0 3 378.489 0.386 20 0 GCADHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3cnn(CC(F)F)c3)CC2)C1 ZINC000364415137 530395566 /nfs/dbraw/zinc/39/55/66/530395566.db2.gz KQANLYFXZOQDEW-ZDUSSCGKSA-N 0 3 377.461 0.549 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(CCO)C(C)(C)C1 ZINC000590755570 530401158 /nfs/dbraw/zinc/40/11/58/530401158.db2.gz KRECYTCGPXYSBZ-LLVKDONJSA-N 0 3 390.424 0.589 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1 ZINC000286591766 530401987 /nfs/dbraw/zinc/40/19/87/530401987.db2.gz GJFOCCCAWIRSQR-CJNGLKHVSA-N 0 3 387.527 0.842 20 0 GCADHN CS(=O)(=O)NC1CN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000636587767 530402145 /nfs/dbraw/zinc/40/21/45/530402145.db2.gz LJENVNFUPRKNOO-UHFFFAOYSA-N 0 3 376.548 0.291 20 0 GCADHN Cc1nc2sccn2c(=O)c1CCN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000286561420 530402307 /nfs/dbraw/zinc/40/23/07/530402307.db2.gz VKXZXMMWEGNLLN-LBPRGKRZSA-N 0 3 385.515 0.112 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1 ZINC000286831980 530404073 /nfs/dbraw/zinc/40/40/73/530404073.db2.gz VZWGCPZXISKZDF-BBRMVZONSA-N 0 3 387.527 0.842 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000286809936 530404172 /nfs/dbraw/zinc/40/41/72/530404172.db2.gz UJDLKRHEQOEJAO-UONOGXRCSA-N 0 3 387.527 0.842 20 0 GCADHN C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000287083723 530406096 /nfs/dbraw/zinc/40/60/96/530406096.db2.gz NLPCPQLKMWDUAH-IEBYYPBYSA-N 0 3 385.555 0.960 20 0 GCADHN CN(C[C@@H]1CCN(C)C1)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000591261418 530407056 /nfs/dbraw/zinc/40/70/56/530407056.db2.gz FMQRLTCZTPDCJP-CYBMUJFWSA-N 0 3 387.527 0.793 20 0 GCADHN CN1CCN(CCNC(=O)NCCn2cc(Br)cn2)CC1(C)C ZINC000287288089 530407182 /nfs/dbraw/zinc/40/71/82/530407182.db2.gz UJZJWUNKMBNNCW-UHFFFAOYSA-N 0 3 387.326 0.971 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000591286126 530407400 /nfs/dbraw/zinc/40/74/00/530407400.db2.gz QNSLELDOMOTHTQ-UONOGXRCSA-N 0 3 389.543 0.984 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000497917362 530395160 /nfs/dbraw/zinc/39/51/60/530395160.db2.gz OOQNZZRFRXOPQJ-LBPRGKRZSA-N 0 3 395.257 0.975 20 0 GCADHN CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)N(C)C)c1Br ZINC000287618493 530410381 /nfs/dbraw/zinc/41/03/81/530410381.db2.gz YQCYFFZETSJOMT-VIFPVBQESA-N 0 3 385.262 0.814 20 0 GCADHN O=C(CN1CCNCC1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000638300281 530411118 /nfs/dbraw/zinc/41/11/18/530411118.db2.gz SOKSQLPOXJKVSW-OAHLLOKOSA-N 0 3 381.274 0.354 20 0 GCADHN Cc1nc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000287704110 530411139 /nfs/dbraw/zinc/41/11/39/530411139.db2.gz FVFDMVMVLNZSEC-CYBMUJFWSA-N 0 3 386.905 0.971 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000592312789 530415010 /nfs/dbraw/zinc/41/50/10/530415010.db2.gz JSWSJBYSYMKJTC-NSHDSACASA-N 0 3 388.262 0.999 20 0 GCADHN CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000592464585 530417184 /nfs/dbraw/zinc/41/71/84/530417184.db2.gz NRAHKVZIIIJAIK-YPMHNXCESA-N 0 3 375.491 0.704 20 0 GCADHN CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CC[NH2+]C1 ZINC000592464584 530417203 /nfs/dbraw/zinc/41/72/03/530417203.db2.gz NRAHKVZIIIJAIK-WCQYABFASA-N 0 3 375.491 0.704 20 0 GCADHN CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000592554181 530417681 /nfs/dbraw/zinc/41/76/81/530417681.db2.gz GLRMDFZIKHDDQE-OICBVUGWSA-N 0 3 387.502 0.560 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000288646169 530419849 /nfs/dbraw/zinc/41/98/49/530419849.db2.gz XUCDSDIPBRGSLE-QWHCGFSZSA-N 0 3 375.516 0.378 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592118146 530414023 /nfs/dbraw/zinc/41/40/23/530414023.db2.gz QXTNWZLNTMLZGO-KXUCPTDWSA-N 0 3 391.364 0.056 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000605846082 530420758 /nfs/dbraw/zinc/42/07/58/530420758.db2.gz GVXXALXEKOPULY-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN COC(=O)CC[C@@H](N)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000289704102 530427143 /nfs/dbraw/zinc/42/71/43/530427143.db2.gz FMGOEKYDVQPZJH-SNVBAGLBSA-N 0 3 387.234 0.522 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1ccc(I)cn1 ZINC000594357441 530427569 /nfs/dbraw/zinc/42/75/69/530427569.db2.gz CCUPSYFBQPESGH-CQSZACIVSA-N 0 3 387.221 0.873 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000594313470 530427689 /nfs/dbraw/zinc/42/76/89/530427689.db2.gz JPAMEPHJBFIJHO-UHFFFAOYSA-N 0 3 376.523 0.163 20 0 GCADHN CCS(=O)(=O)N(C)CCCN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289547633 530425787 /nfs/dbraw/zinc/42/57/87/530425787.db2.gz BZNJZTQQUPJZGB-MRXNPFEDSA-N 0 3 389.543 0.973 20 0 GCADHN CCOC(=O)C[C@@H](CNC(=O)C1(S(C)(=O)=O)CCNCC1)CC(C)C ZINC000593914948 530426049 /nfs/dbraw/zinc/42/60/49/530426049.db2.gz QPDBZVKUPUBCJH-AWEZNQCLSA-N 0 3 376.519 0.885 20 0 GCADHN CN(C)CCN(C)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000290442189 530432995 /nfs/dbraw/zinc/43/29/95/530432995.db2.gz WXIKAMIVZMZCAC-UHFFFAOYSA-N 0 3 378.292 0.747 20 0 GCADHN CN(C[C@@H](O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)C1CC1 ZINC000290501160 530433469 /nfs/dbraw/zinc/43/34/69/530433469.db2.gz ASIMVNARCMXSDG-CQSZACIVSA-N 0 3 387.527 0.650 20 0 GCADHN CCN(CCCN[C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)S(C)(=O)=O ZINC000289934713 530428905 /nfs/dbraw/zinc/42/89/05/530428905.db2.gz VTXKACYJHBOORV-MRXNPFEDSA-N 0 3 389.543 0.973 20 0 GCADHN CO[C@@H](CN)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000290097329 530430295 /nfs/dbraw/zinc/43/02/95/530430295.db2.gz XHFZUOSAZWUDNF-PWSUYJOCSA-N 0 3 385.262 0.995 20 0 GCADHN CS(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000594702018 530437858 /nfs/dbraw/zinc/43/78/58/530437858.db2.gz SOFKNGIUQYPKBY-SKDRFNHKSA-N 0 3 377.388 0.857 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)NCCc1ccc(F)cc1 ZINC000291000034 530438111 /nfs/dbraw/zinc/43/81/11/530438111.db2.gz SVFUCACZSMZLSV-LBPRGKRZSA-N 0 3 379.475 0.722 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000594875777 530442546 /nfs/dbraw/zinc/44/25/46/530442546.db2.gz PHIAJHHPAXQQDA-DGCLKSJQSA-N 0 3 387.845 0.059 20 0 GCADHN CO[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1Br ZINC000594878409 530442750 /nfs/dbraw/zinc/44/27/50/530442750.db2.gz IBILQZFEHVZTDP-GDLCADMTSA-N 0 3 382.258 0.907 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)Cc3ccccc3C(F)(F)F)CCN2C1=O ZINC000594875529 530442760 /nfs/dbraw/zinc/44/27/60/530442760.db2.gz IGVFNWDQLHYISH-AAEUAGOBSA-N 0 3 377.388 0.779 20 0 GCADHN CN(C)c1ncc(Br)cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594880555 530442799 /nfs/dbraw/zinc/44/27/99/530442799.db2.gz SHVIOSHFJGIHNZ-PWSUYJOCSA-N 0 3 382.262 0.294 20 0 GCADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2F)C[C@H]1N(C)C ZINC000291412046 530440408 /nfs/dbraw/zinc/44/04/08/530440408.db2.gz JSXSDCZMBNCFMD-OLZOCXBDSA-N 0 3 375.491 0.608 20 0 GCADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2F)C[C@@H]1N(C)C ZINC000291412048 530440625 /nfs/dbraw/zinc/44/06/25/530440625.db2.gz JSXSDCZMBNCFMD-QWHCGFSZSA-N 0 3 375.491 0.608 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000594851658 530441497 /nfs/dbraw/zinc/44/14/97/530441497.db2.gz QVRBQQMPXLFQRO-OUAUKWLOSA-N 0 3 386.392 0.801 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCCCn2cc(Br)cn2)CC1=O ZINC000291681839 530442256 /nfs/dbraw/zinc/44/22/56/530442256.db2.gz HVZYWTBHSNVGLB-LBPRGKRZSA-N 0 3 386.294 0.562 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000595279003 530445648 /nfs/dbraw/zinc/44/56/48/530445648.db2.gz WLGDUKLXZHZPJW-MFKMUULPSA-N 0 3 385.251 0.380 20 0 GCADHN CN1CC[C@@]2(CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)C2)C1 ZINC000292079389 530444571 /nfs/dbraw/zinc/44/45/71/530444571.db2.gz QTYMQVRTEYKNDK-OAHLLOKOSA-N 0 3 376.475 0.946 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(Br)ccc3F)CCN2C1=O ZINC000595242274 530445116 /nfs/dbraw/zinc/44/51/16/530445116.db2.gz PDCARWXUIGDVTJ-MWLCHTKSSA-N 0 3 399.220 0.297 20 0 GCADHN COCCCN(C)CCNC(=O)c1c(I)cnn1C ZINC000292903212 530450650 /nfs/dbraw/zinc/45/06/50/530450650.db2.gz VDZRGRZPZKHOTJ-UHFFFAOYSA-N 0 3 380.230 0.723 20 0 GCADHN COc1cc(I)ccc1NC(=O)C(=O)NCCN(C)C ZINC000296195320 530468428 /nfs/dbraw/zinc/46/84/28/530468428.db2.gz CNYMOGKSESQLDC-UHFFFAOYSA-N 0 3 391.209 0.916 20 0 GCADHN NS(=O)(=O)CCOCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000294298625 530458465 /nfs/dbraw/zinc/45/84/65/530458465.db2.gz UAYOCISXHOGAGN-ZDUSSCGKSA-N 0 3 390.531 0.489 20 0 GCADHN O=C(CNC(=O)c1ccccc1I)N1CCN2CC[C@H]1C2 ZINC000597710031 530459339 /nfs/dbraw/zinc/45/93/39/530459339.db2.gz PKMVABFQSDNEQU-NSHDSACASA-N 0 3 399.232 0.938 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000295062785 530460941 /nfs/dbraw/zinc/46/09/41/530460941.db2.gz VJYGXPADPIBRGS-GFCCVEGCSA-N 0 3 384.278 0.561 20 0 GCADHN CCOC(=O)C[C@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)C(F)(F)F ZINC000598048053 530461913 /nfs/dbraw/zinc/46/19/13/530461913.db2.gz SEYXMQZBPVQUGT-ONGXEEELSA-N 0 3 389.392 0.969 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Cc1ccc(Br)cc1 ZINC000295335507 530462633 /nfs/dbraw/zinc/46/26/33/530462633.db2.gz MQUPGHNDZGIXGQ-VIFPVBQESA-N 0 3 375.244 0.968 20 0 GCADHN C[NH2+]CCOCCNC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000638582275 530463526 /nfs/dbraw/zinc/46/35/26/530463526.db2.gz LSVYXBMFCOINID-HNNXBMFYSA-N 0 3 375.466 0.481 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000298473557 530481168 /nfs/dbraw/zinc/48/11/68/530481168.db2.gz RCGJZBGRMWRSFA-ZDUSSCGKSA-N 0 3 375.466 0.577 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000298473557 530481169 /nfs/dbraw/zinc/48/11/69/530481169.db2.gz RCGJZBGRMWRSFA-ZDUSSCGKSA-N 0 3 375.466 0.577 20 0 GCADHN CC(C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000298687475 530482685 /nfs/dbraw/zinc/48/26/85/530482685.db2.gz CAXBBTPHLWHSAD-RISCZKNCSA-N 0 3 387.889 0.444 20 0 GCADHN O=C(CN1CCNCC1)NCCOc1ccc(I)cc1 ZINC000602504083 530484081 /nfs/dbraw/zinc/48/40/81/530484081.db2.gz RUUXHCRPCXJRJG-UHFFFAOYSA-N 0 3 389.237 0.691 20 0 GCADHN CCN[C@H](C)C(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000602586015 530484538 /nfs/dbraw/zinc/48/45/38/530484538.db2.gz NACAQLRFJVHRHS-SNVBAGLBSA-N 0 3 389.241 0.728 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCN1C ZINC000408223081 530484950 /nfs/dbraw/zinc/48/49/50/530484950.db2.gz CRFDTRXALQCCFO-OLZOCXBDSA-N 0 3 387.527 0.982 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccs1)N[C@@H]1CCCN(CCCO)C1 ZINC000297229804 530473567 /nfs/dbraw/zinc/47/35/67/530473567.db2.gz IAGVLGXRUSQHON-CYBMUJFWSA-N 0 3 390.531 0.172 20 0 GCADHN Cn1ncc(I)c1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599941508 530475717 /nfs/dbraw/zinc/47/57/17/530475717.db2.gz WPZFNVRTTYJUEN-NXEZZACHSA-N 0 3 390.225 0.306 20 0 GCADHN Cn1ncc(I)c1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599941511 530475744 /nfs/dbraw/zinc/47/57/44/530475744.db2.gz WPZFNVRTTYJUEN-ZJUUUORDSA-N 0 3 390.225 0.306 20 0 GCADHN O=C(c1ccc(I)cn1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599941504 530475764 /nfs/dbraw/zinc/47/57/64/530475764.db2.gz WPCHJQVLMPOOSV-NEPJUHHUSA-N 0 3 387.221 0.967 20 0 GCADHN Cn1ncc(I)c1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599941509 530475770 /nfs/dbraw/zinc/47/57/70/530475770.db2.gz WPZFNVRTTYJUEN-UWVGGRQHSA-N 0 3 390.225 0.306 20 0 GCADHN COc1ncc(Br)cc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000599935950 530475987 /nfs/dbraw/zinc/47/59/87/530475987.db2.gz UAKYRAAKFJUFAF-VXGBXAGGSA-N 0 3 398.261 0.306 20 0 GCADHN CN(C)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000298064742 530477036 /nfs/dbraw/zinc/47/70/36/530477036.db2.gz BVDBBRPDPHKYDV-JSGCOSHPSA-N 0 3 375.878 0.142 20 0 GCADHN CN(C)S(=O)(=O)NCCNCc1cc(Br)c2c(c1)OCCO2 ZINC000298097540 530477210 /nfs/dbraw/zinc/47/72/10/530477210.db2.gz NGLNFZDUETXDJN-UHFFFAOYSA-N 0 3 394.291 0.706 20 0 GCADHN COC(=O)CNC(=O)CCN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602880062 530485756 /nfs/dbraw/zinc/48/57/56/530485756.db2.gz DDBCHMKIUKAERD-LBPRGKRZSA-N 0 3 386.246 0.977 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)c1nn(C)cc1I ZINC000603011044 530486784 /nfs/dbraw/zinc/48/67/84/530486784.db2.gz QMNILXVPIVXJRS-GFCCVEGCSA-N 0 3 380.230 0.457 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc(I)cn1 ZINC000603052579 530487373 /nfs/dbraw/zinc/48/73/73/530487373.db2.gz JDEMQOWTMNKINK-LLVKDONJSA-N 0 3 375.210 0.873 20 0 GCADHN Cn1cc(I)c(C(=O)NC[C@@H]2CCCN2CCCO)n1 ZINC000603060318 530487382 /nfs/dbraw/zinc/48/73/82/530487382.db2.gz LCVNSHVDIWDNNF-JTQLQIEISA-N 0 3 392.241 0.601 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)NC2CCN(CCOC)CC2)s1 ZINC000299251304 530488830 /nfs/dbraw/zinc/48/88/30/530488830.db2.gz OXIATCASLZGGKU-UHFFFAOYSA-N 0 3 390.531 0.566 20 0 GCADHN COCCNc1nnc(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)s1 ZINC000299388943 530490047 /nfs/dbraw/zinc/49/00/47/530490047.db2.gz CVBKDLOBLUCIJM-LURJTMIESA-N 0 3 376.382 0.437 20 0 GCADHN [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C[N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000563114101 530494186 /nfs/dbraw/zinc/49/41/86/530494186.db2.gz ZIDBCMALYRWZIP-UONOGXRCSA-N 0 3 387.527 0.771 20 0 GCADHN CN1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000623073457 530495244 /nfs/dbraw/zinc/49/52/44/530495244.db2.gz OIWBMPIFIOQOKS-UHFFFAOYSA-N 0 3 390.303 0.892 20 0 GCADHN COCCNCCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000415537019 530503251 /nfs/dbraw/zinc/50/32/51/530503251.db2.gz FYZUJUZECNJMEM-UHFFFAOYSA-N 0 3 391.209 0.582 20 0 GCADHN COc1ccc(I)c(NC(=O)C(=O)N[C@H](C)CN)c1 ZINC000415602650 530503417 /nfs/dbraw/zinc/50/34/17/530503417.db2.gz SEYKQXGMXUEBHY-SSDOTTSWSA-N 0 3 377.182 0.702 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415862749 530505231 /nfs/dbraw/zinc/50/52/31/530505231.db2.gz KTASCNBORZHGGG-SSDOTTSWSA-N 0 3 378.173 0.770 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000415870992 530505332 /nfs/dbraw/zinc/50/53/32/530505332.db2.gz UGYKQSKVSPJWKW-LBPRGKRZSA-N 0 3 382.258 0.981 20 0 GCADHN COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)N(C)CCN ZINC000415882772 530505390 /nfs/dbraw/zinc/50/53/90/530505390.db2.gz YLHDKMZYVZWIMI-UHFFFAOYSA-N 0 3 388.218 0.600 20 0 GCADHN CO[C@@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[C@@H](CN)C1 ZINC000440842013 530505583 /nfs/dbraw/zinc/50/55/83/530505583.db2.gz DCQFXHPFSZUNPU-GHMZBOCLSA-N 0 3 380.463 0.356 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000606633276 530508496 /nfs/dbraw/zinc/50/84/96/530508496.db2.gz NGVCUDBUBJHNBB-AWEZNQCLSA-N 0 3 376.523 0.258 20 0 GCADHN CN(C)CC(C)(C)NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000416511596 530509905 /nfs/dbraw/zinc/50/99/05/530509905.db2.gz YFYVVQOPCHTVFS-UHFFFAOYSA-N 0 3 375.516 0.845 20 0 GCADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000366773737 530501274 /nfs/dbraw/zinc/50/12/74/530501274.db2.gz IESNDYPRFRTNPC-HUUCEWRRSA-N 0 3 376.523 0.211 20 0 GCADHN COCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CNCCC2(F)F)c1 ZINC000638796344 530501731 /nfs/dbraw/zinc/50/17/31/530501731.db2.gz FLVWHWCBAUCSBY-ZDUSSCGKSA-N 0 3 377.413 0.795 20 0 GCADHN CN1CCC[C@@H](N2CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000365326357 530502046 /nfs/dbraw/zinc/50/20/46/530502046.db2.gz KNNRJYSHWQDJLS-HUUCEWRRSA-N 0 3 375.560 0.145 20 0 GCADHN C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000638934691 530502149 /nfs/dbraw/zinc/50/21/49/530502149.db2.gz ANVZGJMFZHOQSO-HTQZYQBOSA-N 0 3 382.305 0.737 20 0 GCADHN CC(C)N(CCCNC(=O)CN(C)C1CCC(CO)CC1)S(C)(=O)=O ZINC000534106564 530522714 /nfs/dbraw/zinc/52/27/14/530522714.db2.gz GFSQDAQVPUWLLK-UHFFFAOYSA-N 0 3 377.551 0.646 20 0 GCADHN CN(CCO)C1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000330663124 530522860 /nfs/dbraw/zinc/52/28/60/530522860.db2.gz UVRMHMVHWOKCLC-UHFFFAOYSA-N 0 3 376.500 0.167 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)cc1C ZINC000416548217 530512124 /nfs/dbraw/zinc/51/21/24/530512124.db2.gz BEVNRRZEAKVKPV-AWEZNQCLSA-N 0 3 389.543 0.913 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[C@@H]1CCCN(C)C1 ZINC000416563376 530512774 /nfs/dbraw/zinc/51/27/74/530512774.db2.gz YDQLHQGSMOUKNE-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000416672927 530514986 /nfs/dbraw/zinc/51/49/86/530514986.db2.gz SFUNCFGZDMQQPL-ZDUSSCGKSA-N 0 3 379.477 0.679 20 0 GCADHN CO[C@@H](CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CCOCC1 ZINC000638942160 530515536 /nfs/dbraw/zinc/51/55/36/530515536.db2.gz SAWXXDWGPSSICX-IRXDYDNUSA-N 0 3 376.519 0.554 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)NC[C@]2(COC)CCC[NH2+]2)s1 ZINC000416912379 530515614 /nfs/dbraw/zinc/51/56/14/530515614.db2.gz JEKWVMYYQDOBKI-AWEZNQCLSA-N 0 3 376.504 0.224 20 0 GCADHN CN(C)c1ccc(Br)c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000571049980 530516348 /nfs/dbraw/zinc/51/63/48/530516348.db2.gz NNBSVPTZPNUZDJ-LBPRGKRZSA-N 0 3 391.335 0.779 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000112916790 530516683 /nfs/dbraw/zinc/51/66/83/530516683.db2.gz LOAPUKHHDQVRAC-ZIAGYGMSSA-N 0 3 388.559 0.557 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000112916792 530516766 /nfs/dbraw/zinc/51/67/66/530516766.db2.gz LOAPUKHHDQVRAC-KGLIPLIRSA-N 0 3 388.559 0.557 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673512112 530517477 /nfs/dbraw/zinc/51/74/77/530517477.db2.gz YBHBYCVEBASSPY-GHMZBOCLSA-N 0 3 386.246 0.439 20 0 GCADHN O=C(c1csc(S(=O)(=O)N2CCOCC2)c1)N1CCN2CCC[C@@H]2C1 ZINC000328770040 530517704 /nfs/dbraw/zinc/51/77/04/530517704.db2.gz GOMAHQCOWHAGME-CQSZACIVSA-N 0 3 385.511 0.689 20 0 GCADHN O=C(c1csc(S(=O)(=O)N2CCOCC2)c1)N1CCN2CCC[C@H]2C1 ZINC000328770039 530517785 /nfs/dbraw/zinc/51/77/85/530517785.db2.gz GOMAHQCOWHAGME-AWEZNQCLSA-N 0 3 385.511 0.689 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CN(C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000330370982 530519083 /nfs/dbraw/zinc/51/90/83/530519083.db2.gz HFECPCPVKDSJLK-UHFFFAOYSA-N 0 3 389.543 0.793 20 0 GCADHN COCCNCCNC(=O)c1ccc2ncc(I)n2c1 ZINC000237339292 530519530 /nfs/dbraw/zinc/51/95/30/530519530.db2.gz MHPYRCDDKFZKMD-UHFFFAOYSA-N 0 3 388.209 0.905 20 0 GCADHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000440068904 530519707 /nfs/dbraw/zinc/51/97/07/530519707.db2.gz FJCRWSHTRGWIKT-ZDUSSCGKSA-N 0 3 377.532 0.946 20 0 GCADHN NC1(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1 ZINC000237896896 530520132 /nfs/dbraw/zinc/52/01/32/530520132.db2.gz SKGBTOWKXNUVKL-UHFFFAOYSA-N 0 3 394.316 0.835 20 0 GCADHN [NH3+]C[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000238036133 530520436 /nfs/dbraw/zinc/52/04/36/530520436.db2.gz HSRUYEFZOYDZEZ-MRVPVSSYSA-N 0 3 382.305 0.739 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[C@]2(CCN(C)C2)C1)C(F)(F)F ZINC000366381613 530520467 /nfs/dbraw/zinc/52/04/67/530520467.db2.gz VZMPSAXRXSXRIS-YPMHNXCESA-N 0 3 386.440 0.546 20 0 GCADHN N[C@@H](Cc1ccccc1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000238078923 530520473 /nfs/dbraw/zinc/52/04/73/530520473.db2.gz KKDFWPDDNHPEKN-ZDUSSCGKSA-N 0 3 379.404 0.987 20 0 GCADHN O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366464935 530520901 /nfs/dbraw/zinc/52/09/01/530520901.db2.gz WTBGSKCFHYZWFL-WOFXILAISA-N 0 3 378.281 0.996 20 0 GCADHN O=C(NC[C@@H]1C[C@H](F)CN1)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000366459529 530520992 /nfs/dbraw/zinc/52/09/92/530520992.db2.gz GMOTXFWDTGKUND-QWRGUYRKSA-N 0 3 393.531 0.915 20 0 GCADHN COc1ccsc1CNC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000531701518 530521720 /nfs/dbraw/zinc/52/17/20/530521720.db2.gz NEGWAQKYGASLFA-UHFFFAOYSA-N 0 3 375.516 0.888 20 0 GCADHN CC(C(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)C1CCOCC1 ZINC000531707465 530521910 /nfs/dbraw/zinc/52/19/10/530521910.db2.gz FVRZKTWRPIFDHX-VHDGCEQUSA-N 0 3 395.543 0.783 20 0 GCADHN O=S(=O)(Cc1ccon1)NCCNC[C@H](O)COc1ccccc1Cl ZINC000567682909 530546923 /nfs/dbraw/zinc/54/69/23/530546923.db2.gz BPPCNYOSTVVFFP-ZDUSSCGKSA-N 0 3 389.861 0.777 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CCN1C ZINC000444655895 530547218 /nfs/dbraw/zinc/54/72/18/530547218.db2.gz BRWDCBLDFHSEFX-ONGXEEELSA-N 0 3 385.262 0.685 20 0 GCADHN CN(C)CCN(CCN(C)C)C(=O)NCCn1cc(Br)cn1 ZINC000567779206 530548363 /nfs/dbraw/zinc/54/83/63/530548363.db2.gz FKCLMQXFTWCWBV-UHFFFAOYSA-N 0 3 375.315 0.780 20 0 GCADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1 ZINC000567846624 530548610 /nfs/dbraw/zinc/54/86/10/530548610.db2.gz JIGWWDUZZVLVMM-UHFFFAOYSA-N 0 3 384.487 0.261 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000563439408 530526120 /nfs/dbraw/zinc/52/61/20/530526120.db2.gz GDPNBILQFWNTRH-JOYOIKCWSA-N 0 3 379.360 0.518 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000563439406 530526172 /nfs/dbraw/zinc/52/61/72/530526172.db2.gz GDPNBILQFWNTRH-CABZTGNLSA-N 0 3 379.360 0.518 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Br ZINC000563450663 530526230 /nfs/dbraw/zinc/52/62/30/530526230.db2.gz WZGINJWMEZWLNF-DGCLKSJQSA-N 0 3 395.257 0.466 20 0 GCADHN CN1CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)[C@@H](CN)C1 ZINC000563521576 530526690 /nfs/dbraw/zinc/52/66/90/530526690.db2.gz YDQXZSWRUVKMLG-AWEZNQCLSA-N 0 3 398.305 0.463 20 0 GCADHN CN1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)[C@@H](CN)C1 ZINC000567899768 530550026 /nfs/dbraw/zinc/55/00/26/530550026.db2.gz UNPWHHVKXMNSIF-LBPRGKRZSA-N 0 3 384.274 0.864 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H]1CCC[C@@H]1CO ZINC000563626283 530527349 /nfs/dbraw/zinc/52/73/49/530527349.db2.gz WOHUHQZJDLLLHL-ZIAGYGMSSA-N 0 3 390.527 0.461 20 0 GCADHN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000571202433 530528567 /nfs/dbraw/zinc/52/85/67/530528567.db2.gz FZBJVHFKNOGHQQ-AYNSBQOLSA-N 0 3 375.535 0.219 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)s1 ZINC000571223756 530528580 /nfs/dbraw/zinc/52/85/80/530528580.db2.gz IKULRLWTOPPFPJ-INIZCTEOSA-N 0 3 387.527 0.026 20 0 GCADHN CN1CC[NH2+]C[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000567913646 530550123 /nfs/dbraw/zinc/55/01/23/530550123.db2.gz LYJCBXHGXIJUKM-NSHDSACASA-N 0 3 379.258 0.924 20 0 GCADHN CNS(=O)(=O)NC1CCN(CCC(=O)NCc2ccccc2Cl)CC1 ZINC000411659315 530529217 /nfs/dbraw/zinc/52/92/17/530529217.db2.gz PAAOCYUURSCFPN-UHFFFAOYSA-N 0 3 388.921 0.865 20 0 GCADHN CN(C)CCSCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000571309694 530529790 /nfs/dbraw/zinc/52/97/90/530529790.db2.gz LWGCDZCNPNMTKI-UHFFFAOYSA-N 0 3 387.527 0.941 20 0 GCADHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000408450998 530529877 /nfs/dbraw/zinc/52/98/77/530529877.db2.gz JHZIFCYLYDUGOU-OAGGEKHMSA-N 0 3 395.591 0.935 20 0 GCADHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000408451002 530529915 /nfs/dbraw/zinc/52/99/15/530529915.db2.gz JHZIFCYLYDUGOU-XHSDSOJGSA-N 0 3 395.591 0.935 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(CC(F)(F)F)cc3)CCN2C1=O ZINC000566497358 530531460 /nfs/dbraw/zinc/53/14/60/530531460.db2.gz ZBAQMZOLIYAEMT-AAEUAGOBSA-N 0 3 377.388 0.724 20 0 GCADHN CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000567913645 530550240 /nfs/dbraw/zinc/55/02/40/530550240.db2.gz LYJCBXHGXIJUKM-LLVKDONJSA-N 0 3 379.258 0.924 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCc2ccccc2Br)[C@H](CN)C1 ZINC000566551807 530531940 /nfs/dbraw/zinc/53/19/40/530531940.db2.gz YHJIPTJEAADJKG-CYBMUJFWSA-N 0 3 383.290 0.209 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)s1 ZINC000443297364 530532762 /nfs/dbraw/zinc/53/27/62/530532762.db2.gz RVEIHEFTANYJKA-GFCCVEGCSA-N 0 3 376.500 0.906 20 0 GCADHN C[N@H+](C[C@@H](O)CNCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000566968893 530535853 /nfs/dbraw/zinc/53/58/53/530535853.db2.gz LEDFBVCSNRCBGY-ZDUSSCGKSA-N 0 3 379.885 0.802 20 0 GCADHN C[N@@H+](C[C@@H](O)CNCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000566968893 530535855 /nfs/dbraw/zinc/53/58/55/530535855.db2.gz LEDFBVCSNRCBGY-ZDUSSCGKSA-N 0 3 379.885 0.802 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)[N-]CC1(O)CC[NH+](C(C)C)CC1 ZINC000443504201 530536075 /nfs/dbraw/zinc/53/60/75/530536075.db2.gz UUHRRWCIXCENST-UHFFFAOYSA-N 0 3 377.488 0.443 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3Br)CCN2C1=O ZINC000567180729 530538913 /nfs/dbraw/zinc/53/89/13/530538913.db2.gz RWHSKAQOWNRNEP-KOLCDFICSA-N 0 3 381.230 0.158 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000331187428 530541099 /nfs/dbraw/zinc/54/10/99/530541099.db2.gz JUYSDHVBASXYJM-HNNXBMFYSA-N 0 3 389.543 0.698 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2ccc(Br)cc2-n2cncn2)C[C@@H]1O ZINC000567366239 530541401 /nfs/dbraw/zinc/54/14/01/530541401.db2.gz YGMHHHXGPGNSGF-KBPBESRZSA-N 0 3 380.246 0.777 20 0 GCADHN CCN(CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(C)C ZINC000444162524 530542585 /nfs/dbraw/zinc/54/25/85/530542585.db2.gz BBRHIAWBTGSQEX-UHFFFAOYSA-N 0 3 377.532 0.946 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCCN(C)C(C)C)s1 ZINC000444174855 530542915 /nfs/dbraw/zinc/54/29/15/530542915.db2.gz HVHMWBYUCVJVQK-UHFFFAOYSA-N 0 3 397.588 0.848 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000331326465 530545759 /nfs/dbraw/zinc/54/57/59/530545759.db2.gz MVGRXARSDAXDKT-OPRDCNLKSA-N 0 3 395.421 0.708 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(I)cn1)N(C)C ZINC000446432953 530552748 /nfs/dbraw/zinc/55/27/48/530552748.db2.gz MORAFCVRCLRJMT-QMMMGPOBSA-N 0 3 376.198 0.691 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000568154140 530553612 /nfs/dbraw/zinc/55/36/12/530553612.db2.gz VHFZMZQZMXPBMK-UONOGXRCSA-N 0 3 382.258 0.907 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000673519930 530554513 /nfs/dbraw/zinc/55/45/13/530554513.db2.gz GOMZRJWQXFKVCK-SECBINFHSA-N 0 3 378.292 0.621 20 0 GCADHN C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCN(C)C ZINC000568222604 530554907 /nfs/dbraw/zinc/55/49/07/530554907.db2.gz VVEPXXHVYXDBTD-SNVBAGLBSA-N 0 3 389.283 0.906 20 0 GCADHN Cc1cccc(I)c1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568267397 530557654 /nfs/dbraw/zinc/55/76/54/530557654.db2.gz FWSWBDTTXOMAAV-PWSUYJOCSA-N 0 3 399.232 0.984 20 0 GCADHN CSc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Cl ZINC000568283313 530557704 /nfs/dbraw/zinc/55/77/04/530557704.db2.gz KFUYLOBHQDJYOA-CMPLNLGQSA-N 0 3 382.873 0.771 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)CCN2C1=O ZINC000568268446 530557907 /nfs/dbraw/zinc/55/79/07/530557907.db2.gz XLRRWCCZHGTWTF-PRHODGIISA-N 0 3 392.250 0.521 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(OC)c1 ZINC000447245830 530559594 /nfs/dbraw/zinc/55/95/94/530559594.db2.gz GDYDIUODTUPHNP-PWSUYJOCSA-N 0 3 377.488 0.425 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(OC)c1 ZINC000447248157 530560059 /nfs/dbraw/zinc/56/00/59/530560059.db2.gz SSTFWGPFFZNNSD-VXGBXAGGSA-N 0 3 391.515 0.815 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1C(F)(F)F ZINC000563821896 530561565 /nfs/dbraw/zinc/56/15/65/530561565.db2.gz MBLQMCUFPLHWKN-GXFFZTMASA-N 0 3 377.388 0.946 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CCNC(=O)N(C)C ZINC000451530459 530583214 /nfs/dbraw/zinc/58/32/14/530583214.db2.gz PIVAYCSLNAGVJX-SECBINFHSA-N 0 3 377.385 0.403 20 0 GCADHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447758677 530562842 /nfs/dbraw/zinc/56/28/42/530562842.db2.gz MSJFSTVDHOFNEM-OAHLLOKOSA-N 0 3 383.580 0.842 20 0 GCADHN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000366819063 530564396 /nfs/dbraw/zinc/56/43/96/530564396.db2.gz CLPOQHSYUWASIE-NXEZZACHSA-N 0 3 391.852 0.720 20 0 GCADHN C[C@H](O)C[C@H](C)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000568983469 530565459 /nfs/dbraw/zinc/56/54/59/530565459.db2.gz KCMOUULZMREIRO-STQMWFEESA-N 0 3 378.516 0.460 20 0 GCADHN COc1ccc(Br)cc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569021933 530566119 /nfs/dbraw/zinc/56/61/19/530566119.db2.gz NWHUOGYHVARXQE-QWHCGFSZSA-N 0 3 397.273 0.911 20 0 GCADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1Br ZINC000569120938 530567228 /nfs/dbraw/zinc/56/72/28/530567228.db2.gz WIGCKMVDJWQREH-OCCSQVGLSA-N 0 3 381.274 0.940 20 0 GCADHN CSC1(CNC(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)CCN(C)CC1 ZINC000569165222 530567652 /nfs/dbraw/zinc/56/76/52/530567652.db2.gz LBLUEGHARKMHDK-AWEZNQCLSA-N 0 3 392.591 0.926 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000449840907 530567737 /nfs/dbraw/zinc/56/77/37/530567737.db2.gz JDJZJAFVGSFGSE-UHFFFAOYSA-N 0 3 386.294 0.809 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@@]1(C)CCCO1 ZINC000569214556 530568296 /nfs/dbraw/zinc/56/82/96/530568296.db2.gz WCGJPDMLHANKNK-MRXNPFEDSA-N 0 3 390.527 0.869 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3c(F)cccc3Br)CCN2C1=O ZINC000569259682 530569662 /nfs/dbraw/zinc/56/96/62/530569662.db2.gz IPOXOXDEBGLLKA-KWQFWETISA-N 0 3 399.220 0.297 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)CCN2C1=O ZINC000572618381 530570345 /nfs/dbraw/zinc/57/03/45/530570345.db2.gz WZPDMSJNXUOZED-WCQYABFASA-N 0 3 382.251 0.954 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000451517750 530583757 /nfs/dbraw/zinc/58/37/57/530583757.db2.gz ODLQNPOFCXULMF-OPRDCNLKSA-N 0 3 391.364 0.463 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CCN1CCOCC1 ZINC000451168059 530574065 /nfs/dbraw/zinc/57/40/65/530574065.db2.gz WAAIOJRSUDCACJ-NSHDSACASA-N 0 3 376.397 0.464 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000582160367 530575211 /nfs/dbraw/zinc/57/52/11/530575211.db2.gz NBYGSSVNIAYUPJ-SPSFWMDKSA-N 0 3 376.548 0.451 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000582160364 530575388 /nfs/dbraw/zinc/57/53/88/530575388.db2.gz NBYGSSVNIAYUPJ-DAOPMYJZSA-N 0 3 376.548 0.451 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1C(=O)OC ZINC000451268633 530576539 /nfs/dbraw/zinc/57/65/39/530576539.db2.gz MTYBETNNQNTHLA-IUCAKERBSA-N 0 3 377.337 0.074 20 0 GCADHN CSC1(CNC(=O)NCCS(=O)(=O)NCC2CCC2)CCN(C)CC1 ZINC000573146658 530576575 /nfs/dbraw/zinc/57/65/75/530576575.db2.gz RFIKNCDZQCANFM-UHFFFAOYSA-N 0 3 392.591 0.833 20 0 GCADHN CCOC(=O)CC(C)(C)CCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000573229869 530576908 /nfs/dbraw/zinc/57/69/08/530576908.db2.gz IAIRTUGWUUAHGH-GJZGRUSLSA-N 0 3 376.519 0.443 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(Cl)cc3F)CCN2C1=O ZINC000573221444 530577088 /nfs/dbraw/zinc/57/70/88/530577088.db2.gz CZKCMJUWYHGXLX-RDDDGLTNSA-N 0 3 389.214 0.841 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000583513043 530577100 /nfs/dbraw/zinc/57/71/00/530577100.db2.gz MHMFCDGGXAIEPE-MRXNPFEDSA-N 0 3 387.527 0.701 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000573255451 530577728 /nfs/dbraw/zinc/57/77/28/530577728.db2.gz VPBMKJQMUFZICO-ZDUSSCGKSA-N 0 3 376.523 0.209 20 0 GCADHN COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000327755001 530578542 /nfs/dbraw/zinc/57/85/42/530578542.db2.gz HBSXUDYKNNGZBF-JKSUJKDBSA-N 0 3 375.535 0.616 20 0 GCADHN COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N(C)CCN(C)C1CCN(C)CC1 ZINC000327771818 530578854 /nfs/dbraw/zinc/57/88/54/530578854.db2.gz LSYDXCHIEBBZMW-HOTGVXAUSA-N 0 3 375.535 0.616 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1CC(C)=O ZINC000451389073 530578825 /nfs/dbraw/zinc/57/88/25/530578825.db2.gz PIYCXDCGMLEWCQ-GHMZBOCLSA-N 0 3 375.365 0.880 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](OCCOC)C1 ZINC000451430936 530580108 /nfs/dbraw/zinc/58/01/08/530580108.db2.gz JLSMUGJJJDJWJA-QWRGUYRKSA-N 0 3 377.381 0.938 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CC1(O)CCOCC1 ZINC000451434495 530580645 /nfs/dbraw/zinc/58/06/45/530580645.db2.gz OTHDSSLTJVAKGU-JTQLQIEISA-N 0 3 377.381 0.674 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@H](COC)O[C@@H](C)C1 ZINC000451447960 530580756 /nfs/dbraw/zinc/58/07/56/530580756.db2.gz SBVJEFAVWFVGOP-HBNTYKKESA-N 0 3 377.381 0.936 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCN([C@H](C)CO)CC1 ZINC000451447309 530580953 /nfs/dbraw/zinc/58/09/53/530580953.db2.gz SDLLNPWAHIGTMP-NEPJUHHUSA-N 0 3 390.424 0.589 20 0 GCADHN O=C1[C@H](NC[C@@H](O)COc2cccc(Br)c2)CCCN1CCO ZINC000583565267 530581268 /nfs/dbraw/zinc/58/12/68/530581268.db2.gz XUCAOAIZBMTZGG-UKRRQHHQSA-N 0 3 387.274 0.762 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC000451459298 530581416 /nfs/dbraw/zinc/58/14/16/530581416.db2.gz NNXKSBAZLPVQOT-QWRGUYRKSA-N 0 3 386.392 0.897 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3csc(I)c3)CCN2C1=O ZINC000583575793 530582043 /nfs/dbraw/zinc/58/20/43/530582043.db2.gz SNHRACGNTFBZGQ-RKDXNWHRSA-N 0 3 391.234 0.737 20 0 GCADHN COCCN(C(=O)CN[C@@H]1[C@H](C)[C@@H](OC)C1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000451499383 530582662 /nfs/dbraw/zinc/58/26/62/530582662.db2.gz FGOZEWNFRLQWNS-WMHQRMGPSA-N 0 3 376.519 0.298 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1C(F)(F)F ZINC000574173676 530588718 /nfs/dbraw/zinc/58/87/18/530588718.db2.gz PKWKQYSRMKNTKQ-GXFFZTMASA-N 0 3 377.388 0.946 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)c1 ZINC000536009361 530589288 /nfs/dbraw/zinc/58/92/88/530589288.db2.gz OIDAQSDWLVCDNP-UHFFFAOYSA-N 0 3 384.483 0.632 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ncc(Br)cn1 ZINC000574771909 530594432 /nfs/dbraw/zinc/59/44/32/530594432.db2.gz XXAXRFZEHFJKBD-JMJZKYOTSA-N 0 3 383.250 0.254 20 0 GCADHN C[C@H]1COCCN1CCN(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451989919 530595103 /nfs/dbraw/zinc/59/51/03/530595103.db2.gz PQVDSBJSEIXJSM-ZDUSSCGKSA-N 0 3 375.466 0.504 20 0 GCADHN CN1CCC(O)(CNC(=O)c2ccc(I)cn2)CC1 ZINC000455817328 530615123 /nfs/dbraw/zinc/61/51/23/530615123.db2.gz GONNGJKUCLSXBB-UHFFFAOYSA-N 0 3 375.210 0.873 20 0 GCADHN CC1(C)CCCN1CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000452086638 530599088 /nfs/dbraw/zinc/59/90/88/530599088.db2.gz LOGADZUYAMVJSU-UHFFFAOYSA-N 0 3 389.543 0.759 20 0 GCADHN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)C(=O)NC1CNC1 ZINC000642417796 530601529 /nfs/dbraw/zinc/60/15/29/530601529.db2.gz CAZYIWLVCLZLDS-NSHDSACASA-N 0 3 381.274 0.480 20 0 GCADHN C[C@H]1CCN(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000532165429 530602988 /nfs/dbraw/zinc/60/29/88/530602988.db2.gz IQWGVYTXWGYNNY-AWEZNQCLSA-N 0 3 375.516 0.226 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccs1)NC[C@H]1CCCN1CCCO ZINC000452355217 530603201 /nfs/dbraw/zinc/60/32/01/530603201.db2.gz XKEYUQWEAKWMIX-CYBMUJFWSA-N 0 3 375.516 0.380 20 0 GCADHN C[C@@H]1CCN(CCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000532165430 530603143 /nfs/dbraw/zinc/60/31/43/530603143.db2.gz IQWGVYTXWGYNNY-CQSZACIVSA-N 0 3 375.516 0.226 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)c1nc2ncc(Br)cn2n1 ZINC000452352389 530603451 /nfs/dbraw/zinc/60/34/51/530603451.db2.gz SBLHCMZMZCSVLN-LLVKDONJSA-N 0 3 383.250 0.463 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)NC[C@@H]1CCCN1CCCO ZINC000452353232 530603465 /nfs/dbraw/zinc/60/34/65/530603465.db2.gz UBGVHQKEDAQKMK-NSHDSACASA-N 0 3 388.262 0.735 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452347120 530603471 /nfs/dbraw/zinc/60/34/71/530603471.db2.gz IFYYBOQGZXEHDS-JKSUJKDBSA-N 0 3 375.535 0.544 20 0 GCADHN CC(C(=O)N1CSC[C@H]1C(=O)N(C)C1CC1)S(=O)(=O)C1CCOCC1 ZINC000532211052 530603677 /nfs/dbraw/zinc/60/36/77/530603677.db2.gz FUGCNNCGHREQRX-RISCZKNCSA-N 0 3 390.527 0.491 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669541356 530604390 /nfs/dbraw/zinc/60/43/90/530604390.db2.gz WJCZXJIFDMUWDP-GHMZBOCLSA-N 0 3 392.934 0.931 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCCn2cc(Br)ccc2=O)CC1=O ZINC000452731581 530605777 /nfs/dbraw/zinc/60/57/77/530605777.db2.gz ONJNZPSZWKXCPN-LBPRGKRZSA-N 0 3 399.289 0.137 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000453297269 530607329 /nfs/dbraw/zinc/60/73/29/530607329.db2.gz ZHSJVQLWIWDLRP-TZMCWYRMSA-N 0 3 377.532 0.915 20 0 GCADHN CN(C)CCn1nccc1NC(=O)CSc1nnnn1CC(F)(F)F ZINC000520640748 530615704 /nfs/dbraw/zinc/61/57/04/530615704.db2.gz KOXCKQVHOMUTJD-UHFFFAOYSA-N 0 3 378.384 0.724 20 0 GCADHN COCCN(C)CCNC(=O)NCc1nn(C)cc1I ZINC000454435751 530610768 /nfs/dbraw/zinc/61/07/68/530610768.db2.gz MWNCHKWQZYQOQD-UHFFFAOYSA-N 0 3 395.245 0.402 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3ccc(I)cc3)CCN2C1=O ZINC000576836704 530612117 /nfs/dbraw/zinc/61/21/17/530612117.db2.gz AABNOZCXXGLDKO-RYUDHWBXSA-N 0 3 385.205 0.675 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000266239529 530612496 /nfs/dbraw/zinc/61/24/96/530612496.db2.gz VWMHALBEGXVOLI-SWLSCSKDSA-N 0 3 375.516 0.555 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1 ZINC000329457911 530612873 /nfs/dbraw/zinc/61/28/73/530612873.db2.gz QTRWNPMHTTXSNY-IINYFYTJSA-N 0 3 390.531 0.202 20 0 GCADHN CC[C@H](CCO)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000576875657 530612986 /nfs/dbraw/zinc/61/29/86/530612986.db2.gz MEYAMMSKPOIDIZ-CYBMUJFWSA-N 0 3 378.516 0.461 20 0 GCADHN C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCCN(C)C ZINC000520459770 530613172 /nfs/dbraw/zinc/61/31/72/530613172.db2.gz HZQSSDUJMQDZFP-SNVBAGLBSA-N 0 3 389.283 0.906 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC1CCN(C)CC1 ZINC000580543662 530614431 /nfs/dbraw/zinc/61/44/31/530614431.db2.gz NCVWCGNJWOMQGD-UHFFFAOYSA-N 0 3 389.543 0.394 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCCNS(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000574071934 530587150 /nfs/dbraw/zinc/58/71/50/530587150.db2.gz OHRMDRFJNIVVPA-MGPQQGTHSA-N 0 3 377.532 0.086 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)CCN1C ZINC000574072971 530587176 /nfs/dbraw/zinc/58/71/76/530587176.db2.gz DZSMQWGMSGTBGO-RBSFLKMASA-N 0 3 375.539 0.429 20 0 GCADHN Cc1c(Br)cccc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000520609837 530614823 /nfs/dbraw/zinc/61/48/23/530614823.db2.gz MLTGDGQPCRJAPE-ZDUSSCGKSA-N 0 3 383.290 0.475 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCC[C@@H]1CCC[NH2+]1 ZINC000574203250 530588480 /nfs/dbraw/zinc/58/84/80/530588480.db2.gz YEFWWFHGCNADHI-ZDUSSCGKSA-N 0 3 375.516 0.747 20 0 GCADHN C[C@@H](CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)N(C)C ZINC000577602720 530622675 /nfs/dbraw/zinc/62/26/75/530622675.db2.gz KSKOXWCUVWKPCC-ZDUSSCGKSA-N 0 3 377.532 0.250 20 0 GCADHN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000577651295 530623380 /nfs/dbraw/zinc/62/33/80/530623380.db2.gz FUYPRDATUJYXKE-QWRGUYRKSA-N 0 3 382.873 0.771 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CCN2C1=O ZINC000577747029 530624542 /nfs/dbraw/zinc/62/45/42/530624542.db2.gz OUTZFAIYUVQGDU-BXKDBHETSA-N 0 3 379.360 0.518 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CCCN2CCCO)s1 ZINC000457583693 530624694 /nfs/dbraw/zinc/62/46/94/530624694.db2.gz RIOMUNHJEWLGTA-LBPRGKRZSA-N 0 3 390.531 0.302 20 0 GCADHN CS(=O)(=O)N1CCC(CS(=O)(=O)NC2CCN(CC3CC3)CC2)CC1 ZINC000330047082 530624872 /nfs/dbraw/zinc/62/48/72/530624872.db2.gz HJIJXVSCFQTHGG-UHFFFAOYSA-N 0 3 393.575 0.452 20 0 GCADHN CN(C(=O)NC[C@@H]1CNCCN1C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000577832725 530625024 /nfs/dbraw/zinc/62/50/24/530625024.db2.gz DHPZFIWIMCFIPZ-JSGCOSHPSA-N 0 3 386.905 0.713 20 0 GCADHN C[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)N1CCC[C@H](C)C1 ZINC000330088046 530625969 /nfs/dbraw/zinc/62/59/69/530625969.db2.gz NSLFTDIOTNDCID-LSDHHAIUSA-N 0 3 395.591 0.698 20 0 GCADHN C[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)N1CCC[C@@H](C)C1 ZINC000330088045 530626046 /nfs/dbraw/zinc/62/60/46/530626046.db2.gz NSLFTDIOTNDCID-HUUCEWRRSA-N 0 3 395.591 0.698 20 0 GCADHN C[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)N1CCC[C@@H](C)C1 ZINC000330088043 530626179 /nfs/dbraw/zinc/62/61/79/530626179.db2.gz NSLFTDIOTNDCID-CABCVRRESA-N 0 3 395.591 0.698 20 0 GCADHN C[C@@H]1CN(CCC2CCN(S(=O)(=O)N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000330210994 530629780 /nfs/dbraw/zinc/62/97/80/530629780.db2.gz CRVMPROAJJMDBV-HZPDHXFCSA-N 0 3 375.535 0.775 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)Cc1cc(S(N)(=O)=O)cn1C ZINC000458222671 530629949 /nfs/dbraw/zinc/62/99/49/530629949.db2.gz LXNJBUYDBHQVQD-UHFFFAOYSA-N 0 3 384.527 0.867 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000458199967 530630235 /nfs/dbraw/zinc/63/02/35/530630235.db2.gz KGHBCUPHIGLAGW-UHFFFAOYSA-N 0 3 385.515 0.350 20 0 GCADHN CCC1(CC)CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CCS1(=O)=O ZINC000330257075 530630454 /nfs/dbraw/zinc/63/04/54/530630454.db2.gz QNAPMDMHIMNBAS-ZDUSSCGKSA-N 0 3 395.543 0.785 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000458482359 530631622 /nfs/dbraw/zinc/63/16/22/530631622.db2.gz CGQGCPAEFNYOIO-AWEZNQCLSA-N 0 3 378.539 0.503 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@]12CCOC2 ZINC000331589130 530634830 /nfs/dbraw/zinc/63/48/30/530634830.db2.gz IRSPLCHUPJHXKU-CMPLNLGQSA-N 0 3 375.365 0.692 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[S@](=O)C[C@@H](C)C1 ZINC000331829545 530636723 /nfs/dbraw/zinc/63/67/23/530636723.db2.gz DGNDQTKRURUJJG-QKESZYPNSA-N 0 3 379.422 0.901 20 0 GCADHN CN(C)CC(C)(C)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000459557222 530636922 /nfs/dbraw/zinc/63/69/22/530636922.db2.gz IXQDIRUPLYNZNZ-UHFFFAOYSA-N 0 3 391.559 0.640 20 0 GCADHN CO[C@H]1C[C@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C12CCC2 ZINC000459752350 530638809 /nfs/dbraw/zinc/63/88/09/530638809.db2.gz ILCVLVLEJCRQCY-GJZGRUSLSA-N 0 3 375.535 0.710 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000332021911 530639294 /nfs/dbraw/zinc/63/92/94/530639294.db2.gz ZJVWYGJREMLVAO-NSHDSACASA-N 0 3 396.293 0.643 20 0 GCADHN Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000349460638 530639757 /nfs/dbraw/zinc/63/97/57/530639757.db2.gz IZKYXCNQXOOORT-ZDUSSCGKSA-N 0 3 393.535 0.063 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(OCC(F)F)cc3)CCN2C1=O ZINC000583642254 530616952 /nfs/dbraw/zinc/61/69/52/530616952.db2.gz ULVYPOKULTVRRB-MFKMUULPSA-N 0 3 375.397 0.263 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCOc3ncc(Cl)cc3Cl)CCN2C1=O ZINC000577389852 530619923 /nfs/dbraw/zinc/61/99/23/530619923.db2.gz WUKYVTYCFIPYGB-ZYHUDNBSSA-N 0 3 388.255 0.721 20 0 GCADHN CSC1(CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCN(C)CC1 ZINC000577493361 530621065 /nfs/dbraw/zinc/62/10/65/530621065.db2.gz AGQRGUOLQHJIQE-CQSZACIVSA-N 0 3 392.591 0.785 20 0 GCADHN CCN1CCN(CC(C)(C)NC(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000456895638 530621076 /nfs/dbraw/zinc/62/10/76/530621076.db2.gz IMTGBAJEBCJJIX-UHFFFAOYSA-N 0 3 388.559 0.559 20 0 GCADHN O=S(=O)(CCCCS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[N-]c1c[nH]cn1 ZINC000577530081 530621694 /nfs/dbraw/zinc/62/16/94/530621694.db2.gz AJRXJKJFJXYSPD-CYBMUJFWSA-N 0 3 391.519 0.041 20 0 GCADHN O=S(=O)(CCCCS(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1)[N-]c1c[nH]cn1 ZINC000577530081 530621695 /nfs/dbraw/zinc/62/16/95/530621695.db2.gz AJRXJKJFJXYSPD-CYBMUJFWSA-N 0 3 391.519 0.041 20 0 GCADHN CCN1C[C@@H](C)N(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H]1C ZINC000498930479 530644794 /nfs/dbraw/zinc/64/47/94/530644794.db2.gz UTMBUUAGLWOGKD-HZPDHXFCSA-N 0 3 376.567 0.577 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C[C@@H]1N1CCCC1 ZINC000332370180 530644999 /nfs/dbraw/zinc/64/49/99/530644999.db2.gz DAMQHHVMJDZCQN-BFHYXJOUSA-N 0 3 377.576 0.989 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C[C@H]1N1CCCC1 ZINC000332371070 530645361 /nfs/dbraw/zinc/64/53/61/530645361.db2.gz DAMQHHVMJDZCQN-MGPQQGTHSA-N 0 3 377.576 0.989 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000461901957 530646464 /nfs/dbraw/zinc/64/64/64/530646464.db2.gz PGPJNSIJAALIRR-GXTWGEPZSA-N 0 3 376.475 0.896 20 0 GCADHN CCS(=O)(=O)N1CC(CN[C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000332509725 530647248 /nfs/dbraw/zinc/64/72/48/530647248.db2.gz YXTCXVYIYXDQFE-GFCCVEGCSA-N 0 3 375.516 0.527 20 0 GCADHN N[C@H](CC(F)F)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000498196397 530647766 /nfs/dbraw/zinc/64/77/66/530647766.db2.gz QMIQKLFGPFQXCD-LLVKDONJSA-N 0 3 381.376 0.768 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000462409672 530651096 /nfs/dbraw/zinc/65/10/96/530651096.db2.gz MMXBJOZVCPKDEB-AWEZNQCLSA-N 0 3 377.463 0.571 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000332683783 530651863 /nfs/dbraw/zinc/65/18/63/530651863.db2.gz NOJXWQALJARLAU-GRYCIOLGSA-N 0 3 388.408 0.605 20 0 GCADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](N)CC(F)F)CC1 ZINC000498206877 530652940 /nfs/dbraw/zinc/65/29/40/530652940.db2.gz PPTPVTODEXMZJE-NSHDSACASA-N 0 3 376.429 0.226 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CCSC1 ZINC000333099731 530654947 /nfs/dbraw/zinc/65/49/47/530654947.db2.gz COAIRZJAGXDRCA-GOEBONIOSA-N 0 3 390.575 0.633 20 0 GCADHN CC(C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(F)(F)F ZINC000463104363 530655744 /nfs/dbraw/zinc/65/57/44/530655744.db2.gz CODRDXMFTXDIMJ-SECBINFHSA-N 0 3 379.360 0.944 20 0 GCADHN CCCCN(C)CCNC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000463369510 530657538 /nfs/dbraw/zinc/65/75/38/530657538.db2.gz SWAZZLYKUSGBRU-CQSZACIVSA-N 0 3 376.523 0.053 20 0 GCADHN O=C(CN1CCNCC1)NCc1cn(Cc2ccc(Br)cc2)nn1 ZINC000640753602 530659012 /nfs/dbraw/zinc/65/90/12/530659012.db2.gz GZJIPJCQVLOXIC-UHFFFAOYSA-N 0 3 393.289 0.610 20 0 GCADHN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H](N)CC(F)F)CC1 ZINC000498217872 530659292 /nfs/dbraw/zinc/65/92/92/530659292.db2.gz XSRQKGNCFFXRSB-ZDUSSCGKSA-N 0 3 382.477 0.622 20 0 GCADHN CC(C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)S(=O)(=O)C1CCOCC1 ZINC000333503907 530659968 /nfs/dbraw/zinc/65/99/68/530659968.db2.gz OGQQKLKIXGULOK-UONOGXRCSA-N 0 3 376.519 0.272 20 0 GCADHN C[C@H]1CC2(CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O)CC[NH2+]CC2 ZINC000333622233 530661095 /nfs/dbraw/zinc/66/10/95/530661095.db2.gz UNHFSRIOPGHKNY-JTQLQIEISA-N 0 3 385.262 0.702 20 0 GCADHN CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000468782724 530683129 /nfs/dbraw/zinc/68/31/29/530683129.db2.gz BAWPYFWCOBQURO-HIFRSBDPSA-N 0 3 377.551 0.956 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000333708641 530661981 /nfs/dbraw/zinc/66/19/81/530661981.db2.gz GBOFYDWPMVANIY-AWEZNQCLSA-N 0 3 378.564 0.489 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000333708643 530662341 /nfs/dbraw/zinc/66/23/41/530662341.db2.gz GBOFYDWPMVANIY-CQSZACIVSA-N 0 3 378.564 0.489 20 0 GCADHN O=S(=O)(NC[C@H]1CNCCO1)c1cc2c(cc1Br)OCCO2 ZINC000333833058 530662729 /nfs/dbraw/zinc/66/27/29/530662729.db2.gz JSJKYYQEHRBXIH-SECBINFHSA-N 0 3 393.259 0.487 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC[C@@H](C)[NH+](C)C)s1 ZINC000617753879 530663136 /nfs/dbraw/zinc/66/31/36/530663136.db2.gz LKVPCZDARLWAPJ-LLVKDONJSA-N 0 3 390.531 0.119 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCN(C)CCC[NH+](C)C ZINC000617768188 530664411 /nfs/dbraw/zinc/66/44/11/530664411.db2.gz SRXWDIDWTOLREX-CYBMUJFWSA-N 0 3 376.548 0.415 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000465471394 530666589 /nfs/dbraw/zinc/66/65/89/530666589.db2.gz FTOBPSXVFUPRTA-LBPRGKRZSA-N 0 3 390.531 0.648 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000465892976 530667826 /nfs/dbraw/zinc/66/78/26/530667826.db2.gz SAYNKOKGFGLDAL-HUUCEWRRSA-N 0 3 376.523 0.258 20 0 GCADHN CCC(CC)[C@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)N(C)C ZINC000526334982 530668196 /nfs/dbraw/zinc/66/81/96/530668196.db2.gz OKPVJFRMMQCGRD-HNNXBMFYSA-N 0 3 377.532 0.979 20 0 GCADHN CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)N(C)C ZINC000526334983 530668398 /nfs/dbraw/zinc/66/83/98/530668398.db2.gz OKPVJFRMMQCGRD-OAHLLOKOSA-N 0 3 377.532 0.979 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)NCCN(C)CCCOC)CC1 ZINC000466077563 530668540 /nfs/dbraw/zinc/66/85/40/530668540.db2.gz RJHKRUVJBVGUST-UHFFFAOYSA-N 0 3 378.539 0.458 20 0 GCADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000532740363 530671981 /nfs/dbraw/zinc/67/19/81/530671981.db2.gz NYXAITARLGOXJH-AWEZNQCLSA-N 0 3 390.575 0.681 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@@H]([NH3+])C(C)C)s1 ZINC000658406843 530673160 /nfs/dbraw/zinc/67/31/60/530673160.db2.gz SHOJVXPMAGZHRT-CYBMUJFWSA-N 0 3 397.588 0.882 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)NCCCCN1CCN(C)CC1 ZINC000532775699 530673518 /nfs/dbraw/zinc/67/35/18/530673518.db2.gz OCNSYYPHSHWUKD-UHFFFAOYSA-N 0 3 376.504 0.236 20 0 GCADHN CCN1CCC(N(C)S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000467500432 530674280 /nfs/dbraw/zinc/67/42/80/530674280.db2.gz DXBUCDNHTXWXQE-UHFFFAOYSA-N 0 3 389.543 0.711 20 0 GCADHN Cc1nc(SCC(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)n[nH]1 ZINC000467647438 530676237 /nfs/dbraw/zinc/67/62/37/530676237.db2.gz VDPCZKNKFXDQEF-GFCCVEGCSA-N 0 3 375.520 0.173 20 0 GCADHN Cc1nnc(SCC(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000467647438 530676241 /nfs/dbraw/zinc/67/62/41/530676241.db2.gz VDPCZKNKFXDQEF-GFCCVEGCSA-N 0 3 375.520 0.173 20 0 GCADHN CCCN(CCN(CC)CC)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639585967 530678602 /nfs/dbraw/zinc/67/86/02/530678602.db2.gz ADTBMQHWFHOMTM-UHFFFAOYSA-N 0 3 376.567 0.580 20 0 GCADHN CC(C)C[C@@]1(CO)CCCN1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639609242 530679001 /nfs/dbraw/zinc/67/90/01/530679001.db2.gz FYJDKDTWHJHMQD-QGZVFWFLSA-N 0 3 375.535 0.400 20 0 GCADHN CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639613036 530679389 /nfs/dbraw/zinc/67/93/89/530679389.db2.gz PMKKWWOPRFTQIU-LSDHHAIUSA-N 0 3 375.535 0.710 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000514591934 530685640 /nfs/dbraw/zinc/68/56/40/530685640.db2.gz KLZYHDWDGYQQBO-UHFFFAOYSA-N 0 3 399.264 0.320 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000469184543 530687028 /nfs/dbraw/zinc/68/70/28/530687028.db2.gz GWBHRNBEEXGRGI-LLVKDONJSA-N 0 3 376.504 0.426 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000469184543 530687030 /nfs/dbraw/zinc/68/70/30/530687030.db2.gz GWBHRNBEEXGRGI-LLVKDONJSA-N 0 3 376.504 0.426 20 0 GCADHN COC(=O)[C@@H](CC(C)C)NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1 ZINC000469444568 530689633 /nfs/dbraw/zinc/68/96/33/530689633.db2.gz NLFKJOXERYXTMP-CQSZACIVSA-N 0 3 377.507 0.046 20 0 GCADHN CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000470103702 530692600 /nfs/dbraw/zinc/69/26/00/530692600.db2.gz FIGWTQQBKDVFCF-HNNXBMFYSA-N 0 3 375.535 0.665 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)CCCS(=O)(=O)N2CCCC2)CCCO1 ZINC000470100692 530692696 /nfs/dbraw/zinc/69/26/96/530692696.db2.gz OYOZGHROXHLJSB-MRXNPFEDSA-N 0 3 375.535 0.809 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N(C)CCC(=O)OC ZINC000470764005 530696488 /nfs/dbraw/zinc/69/64/88/530696488.db2.gz DUAWMDTYCCHJDL-HNNXBMFYSA-N 0 3 378.539 0.074 20 0 GCADHN CSc1ccccc1Cn1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000641048749 530699406 /nfs/dbraw/zinc/69/94/06/530699406.db2.gz BGXBOMTWQOKEAD-UHFFFAOYSA-N 0 3 382.515 0.288 20 0 GCADHN CN(C)CCOCCNC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000471660030 530700748 /nfs/dbraw/zinc/70/07/48/530700748.db2.gz VGDRMYAOJJBFNW-UHFFFAOYSA-N 0 3 378.520 0.246 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOCC[NH+](C)C)cc1F ZINC000471648246 530700856 /nfs/dbraw/zinc/70/08/56/530700856.db2.gz UFTBRRHVPIOEJW-UHFFFAOYSA-N 0 3 397.494 0.444 20 0 GCADHN CC(C)CNS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349578293 530703029 /nfs/dbraw/zinc/70/30/29/530703029.db2.gz WPGRRKBNXJMTKO-UHFFFAOYSA-N 0 3 390.531 0.633 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000362474078 530706296 /nfs/dbraw/zinc/70/62/96/530706296.db2.gz QKAKNQGMCQNYMD-ZDUSSCGKSA-N 0 3 390.527 0.871 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000472866644 530708548 /nfs/dbraw/zinc/70/85/48/530708548.db2.gz WUGZAJZDYLSZGU-UHFFFAOYSA-N 0 3 391.877 0.112 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000473921484 530713783 /nfs/dbraw/zinc/71/37/83/530713783.db2.gz VVKZZUYZEVFJSG-HNNXBMFYSA-N 0 3 376.523 0.211 20 0 GCADHN COC(=O)C1CCN(S(=O)(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000474117233 530714961 /nfs/dbraw/zinc/71/49/61/530714961.db2.gz ODLJJBVRATZZDE-UHFFFAOYSA-N 0 3 377.507 0.159 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000367771999 530715838 /nfs/dbraw/zinc/71/58/38/530715838.db2.gz NLOVUOJCBVHLBF-STQMWFEESA-N 0 3 393.506 0.695 20 0 GCADHN O=S(=O)(NC[C@@H]1C[C@H](F)CN1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000367832676 530717147 /nfs/dbraw/zinc/71/71/47/530717147.db2.gz ORCSMPWUDUXGGI-IUCAKERBSA-N 0 3 390.380 0.958 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000578767533 530735545 /nfs/dbraw/zinc/73/55/45/530735545.db2.gz OUCHEXMPYALABI-UHFFFAOYSA-N 0 3 396.249 0.167 20 0 GCADHN CN(C)C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000578875337 530735975 /nfs/dbraw/zinc/73/59/75/530735975.db2.gz PEABBXRKXZBQSZ-CQSZACIVSA-N 0 3 376.910 0.797 20 0 GCADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)[C@H](C)CN1 ZINC000579007829 530738094 /nfs/dbraw/zinc/73/80/94/530738094.db2.gz BAFICXYLONDPKR-GHMZBOCLSA-N 0 3 390.303 0.936 20 0 GCADHN C[C@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)N(C)C1CC1 ZINC000477050100 530739968 /nfs/dbraw/zinc/73/99/68/530739968.db2.gz ULYMUUMZLJYNKG-HIFRSBDPSA-N 0 3 376.523 0.257 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000579249899 530740639 /nfs/dbraw/zinc/74/06/39/530740639.db2.gz RSDCWSWZIYZUIJ-UHFFFAOYSA-N 0 3 378.564 0.202 20 0 GCADHN CCCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000498382935 530741039 /nfs/dbraw/zinc/74/10/39/530741039.db2.gz NPFKBCWPJVHRPB-LBPRGKRZSA-N 0 3 376.500 0.766 20 0 GCADHN CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000370427650 530742638 /nfs/dbraw/zinc/74/26/38/530742638.db2.gz HOHCQJNXFDNYOI-CQSZACIVSA-N 0 3 391.515 0.577 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N(C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000477474953 530743445 /nfs/dbraw/zinc/74/34/45/530743445.db2.gz LMNYBNFXYAJEDL-UHFFFAOYSA-N 0 3 389.543 0.793 20 0 GCADHN C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000477451958 530743817 /nfs/dbraw/zinc/74/38/17/530743817.db2.gz LKZYKKYOYZIVAV-LSDHHAIUSA-N 0 3 395.591 0.840 20 0 GCADHN CN1CCC(O)(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000474986533 530721976 /nfs/dbraw/zinc/72/19/76/530721976.db2.gz FIFLIIYWQPAOBD-UHFFFAOYSA-N 0 3 375.516 0.026 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CCN2C1=O ZINC000578144447 530726995 /nfs/dbraw/zinc/72/69/95/530726995.db2.gz UHDKAARZIBDZNL-QWHCGFSZSA-N 0 3 377.388 0.779 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000416623122 530727766 /nfs/dbraw/zinc/72/77/66/530727766.db2.gz LYMLQTBIVDPHJA-OCCSQVGLSA-N 0 3 380.461 0.889 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@@H](C(F)(F)F)O1 ZINC000671071707 530744483 /nfs/dbraw/zinc/74/44/83/530744483.db2.gz KUGMSUGREQRXQE-UHIISALHSA-N 0 3 383.436 0.718 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000369322696 530732272 /nfs/dbraw/zinc/73/22/72/530732272.db2.gz SGZANEJEHHJZGV-ZKYQVNSYSA-N 0 3 391.490 0.945 20 0 GCADHN O=C(NCCN1CCCCC1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000476459168 530733196 /nfs/dbraw/zinc/73/31/96/530733196.db2.gz NNHMOGWLMMBKSN-HNNXBMFYSA-N 0 3 376.523 0.260 20 0 GCADHN O=S(=O)(NCCNC[C@@H](O)COC1CCOCC1)c1cccc(Cl)c1 ZINC000578640050 530733706 /nfs/dbraw/zinc/73/37/06/530733706.db2.gz MGQXRBCBNUGNHR-CQSZACIVSA-N 0 3 392.905 0.764 20 0 GCADHN CCN1CCC[C@@H](NC(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)C1 ZINC000578671043 530734423 /nfs/dbraw/zinc/73/44/23/530734423.db2.gz PDGSLEJLJIUDCS-HUUCEWRRSA-N 0 3 375.539 0.431 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654432864 530749949 /nfs/dbraw/zinc/74/99/49/530749949.db2.gz KFLZBLRSABELAN-CABCVRRESA-N 0 3 390.575 0.681 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654432866 530750045 /nfs/dbraw/zinc/75/00/45/530750045.db2.gz KFLZBLRSABELAN-HUUCEWRRSA-N 0 3 390.575 0.681 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418169211 530750371 /nfs/dbraw/zinc/75/03/71/530750371.db2.gz PNBIQEUARZYJFS-WOFXILAISA-N 0 3 393.296 0.789 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1Br ZINC000580785076 530750720 /nfs/dbraw/zinc/75/07/20/530750720.db2.gz NLPAXDAFNKBGTN-MFKMUULPSA-N 0 3 388.287 0.690 20 0 GCADHN C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418164331 530750885 /nfs/dbraw/zinc/75/08/85/530750885.db2.gz HKVJHWRBXQVVAS-MNOVXSKESA-N 0 3 376.429 0.622 20 0 GCADHN CN(C)CCn1nnnc1SCCN(Cc1ccccc1)S(C)(=O)=O ZINC000478561273 530750903 /nfs/dbraw/zinc/75/09/03/530750903.db2.gz YZYNABFUMMSHIH-UHFFFAOYSA-N 0 3 384.531 0.789 20 0 GCADHN C[C@@H](C[N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C[NH+](C)C ZINC000641509302 530751159 /nfs/dbraw/zinc/75/11/59/530751159.db2.gz YPCBLIWWMWFWCD-VIFPVBQESA-N 0 3 376.280 0.968 20 0 GCADHN C[NH2+]C[C@H]1CCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418174376 530751505 /nfs/dbraw/zinc/75/15/05/530751505.db2.gz RGXOWEAMWHOUPZ-GFCCVEGCSA-N 0 3 376.429 0.637 20 0 GCADHN C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000418172674 530751642 /nfs/dbraw/zinc/75/16/42/530751642.db2.gz PLRKMKYSACMDLL-QWRGUYRKSA-N 0 3 376.429 0.622 20 0 GCADHN CC(=O)N1CCN(C(=O)C(C)S(=O)(=O)Cc2ncc(Cl)s2)CC1 ZINC000478713704 530752290 /nfs/dbraw/zinc/75/22/90/530752290.db2.gz VEMHCINXOKHIQN-VIFPVBQESA-N 0 3 379.891 0.791 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC[C@H](O)COCc1cccs1 ZINC000581126973 530754057 /nfs/dbraw/zinc/75/40/57/530754057.db2.gz IBHMMCNOBQDCEO-CABCVRRESA-N 0 3 391.559 0.876 20 0 GCADHN CCS(=O)(=O)CCNC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000371496443 530754190 /nfs/dbraw/zinc/75/41/90/530754190.db2.gz JFXJSYQEJRPHNH-UHFFFAOYSA-N 0 3 390.527 0.873 20 0 GCADHN CN1CC[C@H]2[C@@H](CCCN2C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000371561241 530755158 /nfs/dbraw/zinc/75/51/58/530755158.db2.gz HYQRRAOSUVMMNY-GJZGRUSLSA-N 0 3 390.575 0.491 20 0 GCADHN O=C(CN[C@H]1CCCC[C@H]1C(F)(F)F)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000581189011 530755457 /nfs/dbraw/zinc/75/54/57/530755457.db2.gz QVBXBONJKMATRD-AXFHLTTASA-N 0 3 385.408 0.710 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1nn(C)cc1I ZINC000418243567 530755995 /nfs/dbraw/zinc/75/59/95/530755995.db2.gz AJQJOYNMPXQRBR-DTWKUNHWSA-N 0 3 377.230 0.917 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC(O)(C(F)F)CC1 ZINC000479316075 530757086 /nfs/dbraw/zinc/75/70/86/530757086.db2.gz NFUTYHCDOJSUQA-UHFFFAOYSA-N 0 3 380.461 0.842 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cccc(I)c3)CCN2C1=O ZINC000582312473 530758449 /nfs/dbraw/zinc/75/84/49/530758449.db2.gz ZGKRFOFLHAFCAR-VXGBXAGGSA-N 0 3 385.205 0.675 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3cccc(I)c3)CCN2C1=O ZINC000582312470 530758816 /nfs/dbraw/zinc/75/88/16/530758816.db2.gz ZGKRFOFLHAFCAR-NEPJUHHUSA-N 0 3 385.205 0.675 20 0 GCADHN CN(C)CCOCCNC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000581509027 530759516 /nfs/dbraw/zinc/75/95/16/530759516.db2.gz LGJNMKDHVMAWAA-UHFFFAOYSA-N 0 3 389.294 0.440 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)CN(C)S(=O)(=O)N(C)C)cc1F ZINC000581829752 530763451 /nfs/dbraw/zinc/76/34/51/530763451.db2.gz JEYQAPXWSJEFBL-UHFFFAOYSA-N 0 3 376.454 0.443 20 0 GCADHN O=C(C[C@H]1CSCC[NH2+]1)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000579581575 530745252 /nfs/dbraw/zinc/74/52/52/530745252.db2.gz FJGRBAQJIVDNHB-NSHDSACASA-N 0 3 395.909 0.969 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000477585289 530745417 /nfs/dbraw/zinc/74/54/17/530745417.db2.gz DGPJQUVNTUBUKR-GFCCVEGCSA-N 0 3 394.563 0.505 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000370672460 530745719 /nfs/dbraw/zinc/74/57/19/530745719.db2.gz FDNWAJURYFJWTP-NWDGAFQWSA-N 0 3 391.490 0.817 20 0 GCADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000641439726 530746108 /nfs/dbraw/zinc/74/61/08/530746108.db2.gz BZHFRIBXCRYKBA-ZIAGYGMSSA-N 0 3 387.527 0.888 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1Cl ZINC000579853148 530747857 /nfs/dbraw/zinc/74/78/57/530747857.db2.gz DRABNKPFOFPIEJ-JQWIXIFHSA-N 0 3 386.861 0.096 20 0 GCADHN C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000418157152 530749109 /nfs/dbraw/zinc/74/91/09/530749109.db2.gz BAGUKVCIYADILP-GWCFXTLKSA-N 0 3 376.429 0.622 20 0 GCADHN [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418156027 530749170 /nfs/dbraw/zinc/74/91/70/530749170.db2.gz AGTZCAOJIQWCJH-JQWIXIFHSA-N 0 3 376.429 0.670 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)NC[C@H]1CCC[NH2+]1 ZINC000418157532 530749409 /nfs/dbraw/zinc/74/94/09/530749409.db2.gz OMNOXAIMUCHPTR-LLVKDONJSA-N 0 3 378.857 0.809 20 0 GCADHN CNS(=O)(=O)CCNC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000372673933 530771264 /nfs/dbraw/zinc/77/12/64/530771264.db2.gz KDRKTWPWBIUNHO-UHFFFAOYSA-N 0 3 375.516 0.287 20 0 GCADHN CC(=O)Nc1nc(CS(=O)(=O)C(C)C(=O)NC[C@@H]2CCCO2)cs1 ZINC000642533337 530772172 /nfs/dbraw/zinc/77/21/72/530772172.db2.gz FGUANNLDBDXGOH-CABZTGNLSA-N 0 3 375.472 0.700 20 0 GCADHN CS[C@H]1CN(S(=O)(=O)c2c(C)nn(CCN(C)C)c2C)C[C@@H]1N(C)C ZINC000480938113 530773842 /nfs/dbraw/zinc/77/38/42/530773842.db2.gz XJMZXMVRDARNQU-GJZGRUSLSA-N 0 3 389.591 0.728 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481193496 530776205 /nfs/dbraw/zinc/77/62/05/530776205.db2.gz TYRNVBSZZDFTKS-JSGCOSHPSA-N 0 3 383.605 0.601 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CCCCN1CCCCC1 ZINC000641698636 530776441 /nfs/dbraw/zinc/77/64/41/530776441.db2.gz YKZLCPSFDOFFAH-UHFFFAOYSA-N 0 3 383.580 0.796 20 0 GCADHN CCOCCCNC(=O)C(C)S(=O)(=O)c1nnc(N2CCCC2)s1 ZINC000481408605 530778087 /nfs/dbraw/zinc/77/80/87/530778087.db2.gz DHWCOGPRSXBCGT-NSHDSACASA-N 0 3 376.504 0.843 20 0 GCADHN CCC(CC)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481477805 530778252 /nfs/dbraw/zinc/77/82/52/530778252.db2.gz HPEAKZXMVXQIEE-SNVBAGLBSA-N 0 3 376.504 0.842 20 0 GCADHN CC(C(=O)NCC(F)(F)F)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481485117 530778699 /nfs/dbraw/zinc/77/86/99/530778699.db2.gz WZZDEJDYIXZZJM-SSDOTTSWSA-N 0 3 388.393 0.215 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1Cl ZINC000045295466 530779335 /nfs/dbraw/zinc/77/93/35/530779335.db2.gz IXOGMRQJYDCECX-CMPLNLGQSA-N 0 3 379.887 0.947 20 0 GCADHN COCCCNC(=O)C(C)S(=O)(=O)c1nnc(NC[C@@H]2CCCO2)s1 ZINC000061064867 530785345 /nfs/dbraw/zinc/78/53/45/530785345.db2.gz HQJAAFZPSTWBED-MNOVXSKESA-N 0 3 392.503 0.444 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(S(=O)(=O)c3c(Cl)cnn3C)C2)CC1 ZINC000373781420 530785585 /nfs/dbraw/zinc/78/55/85/530785585.db2.gz HUBDBXANYMQLNJ-ZDUSSCGKSA-N 0 3 375.926 0.863 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000061649763 530786227 /nfs/dbraw/zinc/78/62/27/530786227.db2.gz ZEKLBZKLAAWXNV-NWDGAFQWSA-N 0 3 387.889 0.841 20 0 GCADHN CC(C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000480453626 530765872 /nfs/dbraw/zinc/76/58/72/530765872.db2.gz MCTYCQRXLGGZGJ-QLFBSQMISA-N 0 3 376.519 0.584 20 0 GCADHN CN1CCCN(CCCNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000641650507 530767556 /nfs/dbraw/zinc/76/75/56/530767556.db2.gz OUSKDCHQXUURKB-UHFFFAOYSA-N 0 3 388.921 0.745 20 0 GCADHN COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N(C)CC1CCN(C[C@@H](C)O)CC1 ZINC000480633390 530767616 /nfs/dbraw/zinc/76/76/16/530767616.db2.gz FFICSSWQMUXALM-BMFZPTHFSA-N 0 3 376.519 0.683 20 0 GCADHN CN1CCCN(CCCNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC1 ZINC000641650966 530767624 /nfs/dbraw/zinc/76/76/24/530767624.db2.gz YFHDXLXGVXPWII-UHFFFAOYSA-N 0 3 383.580 0.147 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000480637187 530767632 /nfs/dbraw/zinc/76/76/32/530767632.db2.gz BBMYZSMSYSNXQX-TZMCWYRMSA-N 0 3 392.547 0.258 20 0 GCADHN CC(C)O[C@]1(CS(=O)(=O)NCCCN2CCCN(C)CC2)CCOC1 ZINC000641651044 530767652 /nfs/dbraw/zinc/76/76/52/530767652.db2.gz ZIRJVJPBQTYONH-QGZVFWFLSA-N 0 3 377.551 0.518 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000641650789 530767687 /nfs/dbraw/zinc/76/76/87/530767687.db2.gz VNFMMJNHAUHPSU-UHFFFAOYSA-N 0 3 375.520 0.407 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCN2CCC[N@H+](C)CC2)s1 ZINC000641650789 530767688 /nfs/dbraw/zinc/76/76/88/530767688.db2.gz VNFMMJNHAUHPSU-UHFFFAOYSA-N 0 3 375.520 0.407 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1C ZINC000480669301 530768685 /nfs/dbraw/zinc/76/86/85/530768685.db2.gz MXANBMFHXHQGPW-AWEZNQCLSA-N 0 3 389.543 0.865 20 0 GCADHN CC(C(=O)N1CCO[C@H](COCC2CC2)C1)S(=O)(=O)C1CCOCC1 ZINC000485554184 530799221 /nfs/dbraw/zinc/79/92/21/530799221.db2.gz ZHEATUJQUXQRPG-ZFWWWQNUSA-N 0 3 375.487 0.623 20 0 GCADHN [NH3+][C@@H]1CCC[C@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418175334 530802063 /nfs/dbraw/zinc/80/20/63/530802063.db2.gz SVRPACPMPXCXGO-NEPJUHHUSA-N 0 3 376.429 0.812 20 0 GCADHN Cc1ccc(F)c(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1Br ZINC000483580888 530790031 /nfs/dbraw/zinc/79/00/31/530790031.db2.gz IECJMPMILYERLP-VIFPVBQESA-N 0 3 376.226 0.874 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1Cl ZINC000654899424 530791884 /nfs/dbraw/zinc/79/18/84/530791884.db2.gz KSXATZVNBFIRLR-ZDUSSCGKSA-N 0 3 387.889 0.971 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(C)S(C)(=O)=O)cc1 ZINC000067501979 530792058 /nfs/dbraw/zinc/79/20/58/530792058.db2.gz ACSGITVFAGMIIY-GFCCVEGCSA-N 0 3 376.500 0.765 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCCN(CC)C1 ZINC000490738937 530830401 /nfs/dbraw/zinc/83/04/01/530830401.db2.gz GILBUAMHFNMEBS-AWEZNQCLSA-N 0 3 389.543 0.995 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000378011011 530832954 /nfs/dbraw/zinc/83/29/54/530832954.db2.gz WZZRESFOFIUTMK-QWRGUYRKSA-N 0 3 377.463 0.427 20 0 GCADHN Cc1ccccc1CCNC(=O)C(C)S(=O)(=O)CCCS(C)(=O)=O ZINC000492125762 530835582 /nfs/dbraw/zinc/83/55/82/530835582.db2.gz GBTPTYGLCOYZLG-AWEZNQCLSA-N 0 3 375.512 0.892 20 0 GCADHN CCC[C@@H](C)NC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000492102550 530836168 /nfs/dbraw/zinc/83/61/68/530836168.db2.gz ZPBATFIORSQLHQ-MNOVXSKESA-N 0 3 376.504 0.842 20 0 GCADHN CCOCCCN1CC[C@H](NS(=O)(=O)N(C)CCC(=O)OC)[C@H](C)C1 ZINC000486989665 530810567 /nfs/dbraw/zinc/81/05/67/530810567.db2.gz UUGAKXGOHUWMDB-CABCVRRESA-N 0 3 379.523 0.453 20 0 GCADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H]2CCCN2C)C1 ZINC000487359234 530812586 /nfs/dbraw/zinc/81/25/86/530812586.db2.gz QHQFOXKMPHHLDY-CABCVRRESA-N 0 3 376.523 0.163 20 0 GCADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCN(C)C2CC2)C1 ZINC000376453339 530815458 /nfs/dbraw/zinc/81/54/58/530815458.db2.gz DOGFNBSTONHOON-HNNXBMFYSA-N 0 3 376.523 0.163 20 0 GCADHN COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000619504926 530818071 /nfs/dbraw/zinc/81/80/71/530818071.db2.gz HRFHOBZSNQTXLY-STQMWFEESA-N 0 3 376.454 0.336 20 0 GCADHN COCCCN1CCC(NC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000488635211 530818543 /nfs/dbraw/zinc/81/85/43/530818543.db2.gz XIFRQOFYISYHMX-OAHLLOKOSA-N 0 3 376.523 0.163 20 0 GCADHN COC(=O)c1ccc(Cl)c(CNCCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000619509059 530818681 /nfs/dbraw/zinc/81/86/81/530818681.db2.gz UFLGKCQTNGBXAJ-UHFFFAOYSA-N 0 3 389.905 0.793 20 0 GCADHN CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000488814558 530819240 /nfs/dbraw/zinc/81/92/40/530819240.db2.gz ALMCULVDJDIJGO-FMKPAKJESA-N 0 3 375.535 0.662 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000269127507 530821246 /nfs/dbraw/zinc/82/12/46/530821246.db2.gz KESDJLJWIAUKNY-CZUORRHYSA-N 0 3 387.527 0.700 20 0 GCADHN CN1C[C@@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)C[C@@H]2C1 ZINC000377199498 530823599 /nfs/dbraw/zinc/82/35/99/530823599.db2.gz WZSVANIJFKJWAT-BETUJISGSA-N 0 3 385.511 0.309 20 0 GCADHN CSCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000489878476 530825187 /nfs/dbraw/zinc/82/51/87/530825187.db2.gz IZIHDRKSYRPMJA-CYBMUJFWSA-N 0 3 393.481 0.878 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)C(F)(F)F ZINC000377349932 530825447 /nfs/dbraw/zinc/82/54/47/530825447.db2.gz ZYTHNWKIIVLTDV-VXGBXAGGSA-N 0 3 386.440 0.688 20 0 GCADHN CC[C@@H](O)[C@@H](CC)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000582666199 530846482 /nfs/dbraw/zinc/84/64/82/530846482.db2.gz KXCACAZDIVPRNH-ZIAGYGMSSA-N 0 3 392.543 0.850 20 0 GCADHN O=S(=O)(CCNC[C@H](O)COc1ccccc1F)N1CCSCC1 ZINC000582660395 530846851 /nfs/dbraw/zinc/84/68/51/530846851.db2.gz BNUJVYNUOAUYGL-ZDUSSCGKSA-N 0 3 378.491 0.534 20 0 GCADHN CCC[C@](C)(N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000496409871 530849856 /nfs/dbraw/zinc/84/98/56/530849856.db2.gz DVUXSRLWPHIZAO-HNNXBMFYSA-N 0 3 375.516 0.903 20 0 GCADHN Cn1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc(Br)c1=O ZINC000179644529 530852977 /nfs/dbraw/zinc/85/29/77/530852977.db2.gz AILNYKWEFWFIAH-LBPRGKRZSA-N 0 3 397.273 0.783 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1(CCO)CCN(C)CC1 ZINC000499131945 530854001 /nfs/dbraw/zinc/85/40/01/530854001.db2.gz WIVYBRAKMWPJAJ-GFCCVEGCSA-N 0 3 375.516 0.378 20 0 GCADHN CCCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@@H]1CCN(C)C1 ZINC000646397629 530855070 /nfs/dbraw/zinc/85/50/70/530855070.db2.gz LVWLLBCNJMJYPS-NEPJUHHUSA-N 0 3 388.456 0.934 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000499893416 530856941 /nfs/dbraw/zinc/85/69/41/530856941.db2.gz CJOWVRZYUFVZLH-HOTGVXAUSA-N 0 3 375.535 0.617 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)C1 ZINC000584368295 530857372 /nfs/dbraw/zinc/85/73/72/530857372.db2.gz HXOOTLVAWMTYFZ-NEPJUHHUSA-N 0 3 388.456 0.840 20 0 GCADHN CC1(C)CN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCN1 ZINC000500173239 530859385 /nfs/dbraw/zinc/85/93/85/530859385.db2.gz PKEYRQJQHIHENQ-UHFFFAOYSA-N 0 3 387.527 0.522 20 0 GCADHN COc1nc(C)c(Br)cc1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000583213350 530864956 /nfs/dbraw/zinc/86/49/56/530864956.db2.gz DTILKYGELZHFLG-JTQLQIEISA-N 0 3 387.278 0.957 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000657035261 530869090 /nfs/dbraw/zinc/86/90/90/530869090.db2.gz VJRYYMFWXIFELO-CYBMUJFWSA-N 0 3 389.543 0.993 20 0 GCADHN CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000501710432 530869822 /nfs/dbraw/zinc/86/98/22/530869822.db2.gz OVUKLLACLDHYSC-LLVKDONJSA-N 0 3 391.877 0.111 20 0 GCADHN CC[C@H](C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C)[NH+](CC)CC ZINC000501989122 530872272 /nfs/dbraw/zinc/87/22/72/530872272.db2.gz FSUUOFQFPHJUKQ-LLVKDONJSA-N 0 3 378.520 0.672 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)C(F)F)cc1Cl ZINC000494231651 530842273 /nfs/dbraw/zinc/84/22/73/530842273.db2.gz UKKAAQZIABIQKZ-LLVKDONJSA-N 0 3 379.791 0.961 20 0 GCADHN C[NH+]1CCC2(CCCN2C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000360077224 530842890 /nfs/dbraw/zinc/84/28/90/530842890.db2.gz SDSHRMDSIHBHEB-UHFFFAOYSA-N 0 3 385.262 0.798 20 0 GCADHN Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)C2CCCS2(=O)=O)s1 ZINC000582555009 530845347 /nfs/dbraw/zinc/84/53/47/530845347.db2.gz FZUNGCUUJDKGDT-VHSXEESVSA-N 0 3 375.497 0.869 20 0 GCADHN CC1(C)CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CCN1 ZINC000582536151 530845523 /nfs/dbraw/zinc/84/55/23/530845523.db2.gz DRUIVXPBRPZOET-UHFFFAOYSA-N 0 3 376.429 0.637 20 0 GCADHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000657790469 530902407 /nfs/dbraw/zinc/90/24/07/530902407.db2.gz RBUFVVFYSXUDDZ-AWEZNQCLSA-N 0 3 392.200 0.849 20 0 GCADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000627336443 530879132 /nfs/dbraw/zinc/87/91/32/530879132.db2.gz ZZOWBUFQVCFRCP-CYBMUJFWSA-N 0 3 383.290 0.951 20 0 GCADHN COCCN(C(=O)CN[C@@H]1CCC[C@H]1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000503525554 530882156 /nfs/dbraw/zinc/88/21/56/530882156.db2.gz HEDYIBHQXRNTPA-YNEHKIRRSA-N 0 3 384.445 0.398 20 0 GCADHN COCCN(C(=O)CN[C@@H]1CCC[C@H]1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000503525553 530882184 /nfs/dbraw/zinc/88/21/84/530882184.db2.gz HEDYIBHQXRNTPA-JHJVBQTASA-N 0 3 384.445 0.398 20 0 GCADHN C[N@H+](CCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000504044452 530886463 /nfs/dbraw/zinc/88/64/63/530886463.db2.gz PNQBYBQFKGBONK-UHFFFAOYSA-N 0 3 396.332 0.999 20 0 GCADHN C[N@@H+](CCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000504044452 530886465 /nfs/dbraw/zinc/88/64/65/530886465.db2.gz PNQBYBQFKGBONK-UHFFFAOYSA-N 0 3 396.332 0.999 20 0 GCADHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000479319594 530893196 /nfs/dbraw/zinc/89/31/96/530893196.db2.gz MLECGBRCMKFURU-CYBMUJFWSA-N 0 3 377.532 0.912 20 0 GCADHN COc1ncc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c(C)c1Br ZINC000657519011 530896309 /nfs/dbraw/zinc/89/63/09/530896309.db2.gz WBGPQXLMJOQSJH-VIFPVBQESA-N 0 3 389.250 0.138 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCCOc1ccc(S(N)(=O)=O)cc1 ZINC000510794828 530930309 /nfs/dbraw/zinc/93/03/09/530930309.db2.gz FIMUSKWAHRGRRK-LSDHHAIUSA-N 0 3 391.515 0.163 20 0 GCADHN C[C@H]1CN(CCOC2CCN(CCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000508968170 530915154 /nfs/dbraw/zinc/91/51/54/530915154.db2.gz VILRMFIVIKHNDH-HOTGVXAUSA-N 0 3 377.551 0.468 20 0 GCADHN C[C@@H](CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)N(C)C ZINC000623976045 530916054 /nfs/dbraw/zinc/91/60/54/530916054.db2.gz WVJJHBZHEABWKB-NSHDSACASA-N 0 3 375.516 0.573 20 0 GCADHN CC(C(=O)NCC(F)(F)F)S(=O)(=O)Cc1nnnn1-c1ccccc1 ZINC000122991427 530916449 /nfs/dbraw/zinc/91/64/49/530916449.db2.gz IMOVYOVKSCBCNT-SECBINFHSA-N 0 3 377.348 0.644 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCCN(C)S(=O)(=O)c2cccs2)C[C@@H](C)O1 ZINC000584716959 530922396 /nfs/dbraw/zinc/92/23/96/530922396.db2.gz PZDZTORAPVGBRL-KFWWJZLASA-N 0 3 391.559 0.428 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)COc3ccc(Br)cc3F)CCN2C1=O ZINC000584851116 530925483 /nfs/dbraw/zinc/92/54/83/530925483.db2.gz SYJQGQPSALTNDH-CMPLNLGQSA-N 0 3 386.221 0.737 20 0 GCADHN CCN(CCN)C(=O)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000627353434 530927265 /nfs/dbraw/zinc/92/72/65/530927265.db2.gz CIVHKJUGCLNZAW-UHFFFAOYSA-N 0 3 399.289 0.492 20 0 GCADHN COC[C@H](CC1CCOCC1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000657915772 530927738 /nfs/dbraw/zinc/92/77/38/530927738.db2.gz NUVROZNMKZLWBB-IRXDYDNUSA-N 0 3 378.535 0.896 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1Br ZINC000226608713 530928400 /nfs/dbraw/zinc/92/84/00/530928400.db2.gz VGCAWOXBMLIZJT-JTQLQIEISA-N 0 3 378.292 0.721 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000419363088 530957762 /nfs/dbraw/zinc/95/77/62/530957762.db2.gz QJTUQWPGZIZRHV-SNVBAGLBSA-N 0 3 385.262 0.149 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1Br ZINC000419434123 530957886 /nfs/dbraw/zinc/95/78/86/530957886.db2.gz AKLVSYDXTQTASQ-LLVKDONJSA-N 0 3 386.246 0.179 20 0 GCADHN O=C(NCc1ccc([O-])c(Br)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419404481 530957971 /nfs/dbraw/zinc/95/79/71/530957971.db2.gz GASNAWWUZLUXHC-NWDGAFQWSA-N 0 3 382.258 0.839 20 0 GCADHN CCN(C)C[C@H](O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000520837634 530958321 /nfs/dbraw/zinc/95/83/21/530958321.db2.gz CICFRXZGMGJHEF-ZDUSSCGKSA-N 0 3 375.516 0.507 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000419367153 530958485 /nfs/dbraw/zinc/95/84/85/530958485.db2.gz WSGOLYBOVKYXQQ-LLVKDONJSA-N 0 3 399.289 0.491 20 0 GCADHN CCNS(=O)(=O)c1ccc(CNS(=O)(=O)CCCN2CCCC2)cc1 ZINC000632108189 530958716 /nfs/dbraw/zinc/95/87/16/530958716.db2.gz MNURIYOPHBNRSA-UHFFFAOYSA-N 0 3 389.543 0.890 20 0 GCADHN CCN(CC)[C@H](CNS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)CC(C)C ZINC000632098070 530959066 /nfs/dbraw/zinc/95/90/66/530959066.db2.gz RSGDTEJQUQGMAH-CVEARBPZSA-N 0 3 397.607 0.944 20 0 GCADHN COCCNCCNC(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000419465763 530959133 /nfs/dbraw/zinc/95/91/33/530959133.db2.gz UMKQIHHBCORUDE-UHFFFAOYSA-N 0 3 398.301 0.949 20 0 GCADHN CC(C)[C@H](N)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419571352 530959657 /nfs/dbraw/zinc/95/96/57/530959657.db2.gz OVTREWKGEJLROD-CYBMUJFWSA-N 0 3 375.878 0.329 20 0 GCADHN CCCC[C@H](CN)NC(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419574512 530959752 /nfs/dbraw/zinc/95/97/52/530959752.db2.gz UPAKSFDRWSRLIM-CYBMUJFWSA-N 0 3 389.905 0.864 20 0 GCADHN COc1cc(Br)c(CNC(=O)C(=O)N(C)[C@H](C)CN)cc1OC ZINC000419581928 530960179 /nfs/dbraw/zinc/96/01/79/530960179.db2.gz IUGJWULRDZQCEF-SECBINFHSA-N 0 3 388.262 0.888 20 0 GCADHN Cc1cc(Br)cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000520841421 530960352 /nfs/dbraw/zinc/96/03/52/530960352.db2.gz RAWJKWRKFDMJBG-CHWSQXEVSA-N 0 3 395.257 0.466 20 0 GCADHN NC[C@H]1CCCN1C(=O)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000419684148 530960938 /nfs/dbraw/zinc/96/09/38/530960938.db2.gz YOPJWCJSVVJMFM-CYBMUJFWSA-N 0 3 382.258 0.950 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000517460811 530961061 /nfs/dbraw/zinc/96/10/61/530961061.db2.gz XHBQAMRHCXLEPB-ZDUSSCGKSA-N 0 3 375.516 0.557 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCc1cc(Br)cc2c1OCC2)C1CC1 ZINC000419683615 530961212 /nfs/dbraw/zinc/96/12/12/530961212.db2.gz XLLNAWALAAEZJT-ZDUSSCGKSA-N 0 3 382.258 0.854 20 0 GCADHN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)NCCN ZINC000419812396 530962535 /nfs/dbraw/zinc/96/25/35/530962535.db2.gz DZQUDCGCXLUBDS-UHFFFAOYSA-N 0 3 375.256 0.533 20 0 GCADHN NCCNC(=O)C(=O)NCc1ccc(Cl)cc1I ZINC000419782495 530962603 /nfs/dbraw/zinc/96/26/03/530962603.db2.gz PVHIJRHOWRJMJA-UHFFFAOYSA-N 0 3 381.601 0.636 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(I)cn2)CC1 ZINC000419831278 530962924 /nfs/dbraw/zinc/96/29/24/530962924.db2.gz WWKSIRQZMKYVEG-UHFFFAOYSA-N 0 3 388.209 0.835 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCOc3cccc(Br)c3)CCN2C1=O ZINC000521070887 530963661 /nfs/dbraw/zinc/96/36/61/530963661.db2.gz QOEYTRBXCRGJRJ-GXTWGEPZSA-N 0 3 397.273 0.781 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000521163449 530963880 /nfs/dbraw/zinc/96/38/80/530963880.db2.gz PYQVOSVHKPJEGC-CQSZACIVSA-N 0 3 378.564 0.539 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000420012459 530964358 /nfs/dbraw/zinc/96/43/58/530964358.db2.gz JEHXAGHDGXWIPZ-NOZJJQNGSA-N 0 3 388.237 0.952 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000420001941 530964658 /nfs/dbraw/zinc/96/46/58/530964658.db2.gz VWQRMARVJILKHE-HNNXBMFYSA-N 0 3 377.894 0.437 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000418811663 530936174 /nfs/dbraw/zinc/93/61/74/530936174.db2.gz HZEAMFRQLCGVSV-IUCAKERBSA-N 0 3 386.246 0.861 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000418834551 530938326 /nfs/dbraw/zinc/93/83/26/530938326.db2.gz OOXOOXDZMOCEDL-MELADBBJSA-N 0 3 382.258 0.526 20 0 GCADHN O=S(=O)(CCCN1CCCC1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000632288359 530964798 /nfs/dbraw/zinc/96/47/98/530964798.db2.gz DULGFLIKOFWVNE-HNNXBMFYSA-N 0 3 379.548 0.302 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)C(F)(F)F ZINC000425672849 530940403 /nfs/dbraw/zinc/94/04/03/530940403.db2.gz LTFTVZQXKYXMBC-TUAOUCFPSA-N 0 3 386.440 0.544 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCCCS(C)(=O)=O ZINC000425180174 530942039 /nfs/dbraw/zinc/94/20/39/530942039.db2.gz RNRNVVYEPQGZEI-UHFFFAOYSA-N 0 3 380.536 0.165 20 0 GCADHN CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000512437912 530943125 /nfs/dbraw/zinc/94/31/25/530943125.db2.gz YIPDUVIHDJQMIU-HNNXBMFYSA-N 0 3 377.555 0.631 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000512565206 530944071 /nfs/dbraw/zinc/94/40/71/530944071.db2.gz ORCUBZDTHDVKGB-MNOVXSKESA-N 0 3 397.544 0.381 20 0 GCADHN O=C(NCCc1ccc(F)c(Br)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000418852068 530944608 /nfs/dbraw/zinc/94/46/08/530944608.db2.gz UNULXLHSTJQFDG-NSHDSACASA-N 0 3 388.237 0.352 20 0 GCADHN O=C(N[C@H]1CCN(c2ccccc2Br)C1)C(=O)N1CCCNCC1 ZINC000418866556 530946458 /nfs/dbraw/zinc/94/64/58/530946458.db2.gz NXWBXJMKJYSORU-ZDUSSCGKSA-N 0 3 395.301 0.966 20 0 GCADHN CS(=O)(=O)Nc1ccc(CNS(=O)(=O)CCCN2CCCC2)cc1 ZINC000631759968 530946843 /nfs/dbraw/zinc/94/68/43/530946843.db2.gz LZJHOJIMRFNVNX-UHFFFAOYSA-N 0 3 375.516 0.963 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1Br ZINC000564100926 530947649 /nfs/dbraw/zinc/94/76/49/530947649.db2.gz OEGNETWSHHLMCW-AAEUAGOBSA-N 0 3 395.257 0.466 20 0 GCADHN C[C@H](NS(=O)(=O)CCCN(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000631777395 530947923 /nfs/dbraw/zinc/94/79/23/530947923.db2.gz IAHRGZPOFAZXEF-ZDUSSCGKSA-N 0 3 377.532 0.869 20 0 GCADHN CN(C)CCCS(=O)(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000631837538 530948719 /nfs/dbraw/zinc/94/87/19/530948719.db2.gz COXZULZBTRFKEY-GFCCVEGCSA-N 0 3 378.292 0.847 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC1 ZINC000420024497 530965233 /nfs/dbraw/zinc/96/52/33/530965233.db2.gz ALKZDEKFEKUWLM-CYBMUJFWSA-N 0 3 386.283 0.891 20 0 GCADHN O=C(NCCc1cc(Br)ccc1F)C(=O)NC[C@@H]1CNCCO1 ZINC000418924791 530951357 /nfs/dbraw/zinc/95/13/57/530951357.db2.gz PXWCAHQXZMDEHJ-LBPRGKRZSA-N 0 3 388.237 0.352 20 0 GCADHN O=C(NCCc1cc(Br)ccc1F)C(=O)NC[C@H]1CNCCO1 ZINC000418924790 530951501 /nfs/dbraw/zinc/95/15/01/530951501.db2.gz PXWCAHQXZMDEHJ-GFCCVEGCSA-N 0 3 388.237 0.352 20 0 GCADHN C[C@@H]1C[C@H](N)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000631973245 530965352 /nfs/dbraw/zinc/96/53/52/530965352.db2.gz LPIUPRCJWUDULQ-BDAKNGLRSA-N 0 3 397.316 0.963 20 0 GCADHN Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)[C@H](C)CN)nc12 ZINC000419043952 530953599 /nfs/dbraw/zinc/95/35/99/530953599.db2.gz ORDMAOOSUAIUCO-SNVBAGLBSA-N 0 3 382.262 0.827 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)NCCN)C2=O)ccc1Br ZINC000419051776 530954310 /nfs/dbraw/zinc/95/43/10/530954310.db2.gz GEMMNXMURMYQHQ-LBPRGKRZSA-N 0 3 383.246 0.054 20 0 GCADHN CN(CCN)C(=O)C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000419071431 530954557 /nfs/dbraw/zinc/95/45/57/530954557.db2.gz LEXYOXGYFZUGIQ-GFCCVEGCSA-N 0 3 383.290 0.809 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCc1cccc(Br)c1Cl ZINC000419060678 530954824 /nfs/dbraw/zinc/95/48/24/530954824.db2.gz ZTYRMIYXVAIAEI-UHFFFAOYSA-N 0 3 378.654 0.498 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)CCN)C2=O)ccc1Br ZINC000419064697 530954830 /nfs/dbraw/zinc/95/48/30/530954830.db2.gz PDPIKMOHVCETQH-ZDUSSCGKSA-N 0 3 397.273 0.396 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419074895 530954961 /nfs/dbraw/zinc/95/49/61/530954961.db2.gz ZYDVAOFDECLQJX-GWCFXTLKSA-N 0 3 397.273 0.476 20 0 GCADHN O=C(NCCOCc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CNCCO1 ZINC000419162089 530955708 /nfs/dbraw/zinc/95/57/08/530955708.db2.gz FTRGNDWIEULRCR-CYBMUJFWSA-N 0 3 390.267 0.731 20 0 GCADHN C[C@H](CC(=O)Nc1nc(N2CCNCC2)n[nH]1)n1cc(Br)cn1 ZINC000646802176 530955791 /nfs/dbraw/zinc/95/57/91/530955791.db2.gz XVMKDSQUSJHASG-SECBINFHSA-N 0 3 383.254 0.763 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NCCOc1ccc(I)cc1 ZINC000419167897 530956054 /nfs/dbraw/zinc/95/60/54/530956054.db2.gz DPFMCDWIIDZKDB-VIFPVBQESA-N 0 3 391.209 0.250 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000419174287 530956395 /nfs/dbraw/zinc/95/63/95/530956395.db2.gz NDRXYAQJRTZWHK-UHFFFAOYSA-N 0 3 390.253 0.417 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000419187921 530956793 /nfs/dbraw/zinc/95/67/93/530956793.db2.gz NSWUJCSRYMYDGT-DZGCQCFKSA-N 0 3 395.301 0.998 20 0 GCADHN C[C@@H](C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)N1[C@H](C)CC[C@@H]1C ZINC000522064826 530972528 /nfs/dbraw/zinc/97/25/28/530972528.db2.gz UYPNJZDSKDWEGQ-XUWVNRHRSA-N 0 3 375.535 0.852 20 0 GCADHN COCCCN(CCCN1CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000192767506 530972584 /nfs/dbraw/zinc/97/25/84/530972584.db2.gz NJARSYAAOLWXIY-SFHVURJKSA-N 0 3 375.579 0.928 20 0 GCADHN CCN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000192909197 530973599 /nfs/dbraw/zinc/97/35/99/530973599.db2.gz AHVPVHBOUVXMHC-LBPRGKRZSA-N 0 3 386.440 0.995 20 0 GCADHN CO[C@H](CC(C)C)CS(=O)(=O)NCC(=O)NCCN1CCCCCC1 ZINC000420738986 530975163 /nfs/dbraw/zinc/97/51/63/530975163.db2.gz XXXPHJBWWCYBEW-MRXNPFEDSA-N 0 3 377.551 0.959 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(Br)c1 ZINC000572136340 530985387 /nfs/dbraw/zinc/98/53/87/530985387.db2.gz XUEUKQGSXXXJPC-PWSUYJOCSA-N 0 3 395.257 0.466 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(Br)c1 ZINC000572136339 530985449 /nfs/dbraw/zinc/98/54/49/530985449.db2.gz XUEUKQGSXXXJPC-JQWIXIFHSA-N 0 3 395.257 0.466 20 0 GCADHN CCc1ncc(S(=O)(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)s1 ZINC000632727269 530980122 /nfs/dbraw/zinc/98/01/22/530980122.db2.gz XLXVGBMEHCGEJC-GFCCVEGCSA-N 0 3 390.531 0.163 20 0 GCADHN CCc1ncc(S(=O)(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)s1 ZINC000632727273 530980260 /nfs/dbraw/zinc/98/02/60/530980260.db2.gz XLXVGBMEHCGEJC-LBPRGKRZSA-N 0 3 390.531 0.163 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cc(C)cs2)CC1=O ZINC000632727179 530980483 /nfs/dbraw/zinc/98/04/83/530980483.db2.gz VBHGARXTOXIKDW-CYBMUJFWSA-N 0 3 375.516 0.514 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000523736596 530983030 /nfs/dbraw/zinc/98/30/30/530983030.db2.gz LXVGHDMHXAYIPU-ZDUSSCGKSA-N 0 3 375.516 0.557 20 0 GCADHN CN(C)CCn1cc(C(=O)NCCn2cc(Br)ccc2=O)cn1 ZINC000633248287 530983134 /nfs/dbraw/zinc/98/31/34/530983134.db2.gz FFKXFIYKWNKXOB-UHFFFAOYSA-N 0 3 382.262 0.799 20 0 GCADHN COCCNCCNC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000420183911 530966095 /nfs/dbraw/zinc/96/60/95/530966095.db2.gz MRWVLRDFMAXTCX-UHFFFAOYSA-N 0 3 388.921 0.398 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000185602837 530966247 /nfs/dbraw/zinc/96/62/47/530966247.db2.gz NNRWFXKPLCYCDW-UHFFFAOYSA-N 0 3 376.226 0.957 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000420213179 530966581 /nfs/dbraw/zinc/96/65/81/530966581.db2.gz YPMDFHBHGJPBMT-GXTWGEPZSA-N 0 3 397.273 0.612 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCc2cc(Br)ccc2C1 ZINC000420210921 530966945 /nfs/dbraw/zinc/96/69/45/530966945.db2.gz WNTPZWVULPAYQR-CQSZACIVSA-N 0 3 382.258 0.438 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNS(=O)(=O)CCCN1CCCC1 ZINC000632331125 530967120 /nfs/dbraw/zinc/96/71/20/530967120.db2.gz GBBBDWNVNJUAEL-LSDHHAIUSA-N 0 3 381.564 0.500 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C[NH3+])C(C)(C)C)s1 ZINC000420453048 530967838 /nfs/dbraw/zinc/96/78/38/530967838.db2.gz UDAQFWIDYDFCAE-GFCCVEGCSA-N 0 3 397.588 0.882 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)c(OC)c1 ZINC000420449889 530968339 /nfs/dbraw/zinc/96/83/39/530968339.db2.gz OKEJFCWWASMNEN-UHFFFAOYSA-N 0 3 391.515 0.877 20 0 GCADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000632370362 530968860 /nfs/dbraw/zinc/96/88/60/530968860.db2.gz YTXNBWOZORQEHJ-UKRRQHHQSA-N 0 3 375.516 0.319 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)o2)C1 ZINC000521676571 530968948 /nfs/dbraw/zinc/96/89/48/530968948.db2.gz BTKUGKHDCQDRFI-LLVKDONJSA-N 0 3 388.262 0.951 20 0 GCADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000632370130 530969063 /nfs/dbraw/zinc/96/90/63/530969063.db2.gz VVHNPKMJUBOBFU-IUODEOHRSA-N 0 3 375.516 0.650 20 0 GCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000632367985 530969147 /nfs/dbraw/zinc/96/91/47/530969147.db2.gz AOROAYWELWCPHL-BBRMVZONSA-N 0 3 387.527 0.940 20 0 GCADHN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000420485296 530969380 /nfs/dbraw/zinc/96/93/80/530969380.db2.gz ZOKMKIHSNGXLHS-JTQLQIEISA-N 0 3 382.360 0.759 20 0 GCADHN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)s1 ZINC000420482679 530969424 /nfs/dbraw/zinc/96/94/24/530969424.db2.gz UQGSGTWYHSOECN-GFCCVEGCSA-N 0 3 389.543 0.720 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(C[NH+](C)C)C2)c(OC)c1 ZINC000632382570 530969680 /nfs/dbraw/zinc/96/96/80/530969680.db2.gz WZLZBWUEIJEDJL-UHFFFAOYSA-N 0 3 391.515 0.639 20 0 GCADHN CSCC[C@H](N)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000262439749 530985048 /nfs/dbraw/zinc/98/50/48/530985048.db2.gz NCHCNTHDNLJPKC-ZDUSSCGKSA-N 0 3 391.490 0.866 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]([NH2+]C)C2)c(OC)c1 ZINC000261923304 530991308 /nfs/dbraw/zinc/99/13/08/530991308.db2.gz BVTHHPYCXOWYKA-ZDUSSCGKSA-N 0 3 391.515 0.829 20 0 GCADHN C[C@@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C[C@H]1N ZINC000262075594 530993040 /nfs/dbraw/zinc/99/30/40/530993040.db2.gz PVCRSBOXEHJWNZ-LDYMZIIASA-N 0 3 397.316 0.820 20 0 GCADHN C[C@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C[C@H]1N ZINC000262075590 530993286 /nfs/dbraw/zinc/99/32/86/530993286.db2.gz PVCRSBOXEHJWNZ-GZMMTYOYSA-N 0 3 397.316 0.820 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)cc1F ZINC000262131922 530993724 /nfs/dbraw/zinc/99/37/24/530993724.db2.gz MQLOCSJTZJWOKX-NSHDSACASA-N 0 3 379.479 0.958 20 0 GCADHN CC(C)(C[NH3+])[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000262125364 530993997 /nfs/dbraw/zinc/99/39/97/530993997.db2.gz WFYQGBIYUBXMBR-UHFFFAOYSA-N 0 3 385.305 0.868 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000262162659 530994680 /nfs/dbraw/zinc/99/46/80/530994680.db2.gz VKBIKLAWJBDOGZ-ZYHUDNBSSA-N 0 3 375.878 1.000 20 0 GCADHN O=C(NCCNC(=O)[C@@H]1CNCCC1(F)F)c1ccc(Br)cn1 ZINC000659337473 530994904 /nfs/dbraw/zinc/99/49/04/530994904.db2.gz WFNZIXVFQKEIOB-JTQLQIEISA-N 0 3 391.216 0.935 20 0 GCADHN CNCCN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000262268988 530995793 /nfs/dbraw/zinc/99/57/93/530995793.db2.gz KCZYVIAYRSOXKG-UHFFFAOYSA-N 0 3 385.305 0.693 20 0 GCADHN [NH3+]C1(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCCC1 ZINC000659491075 530995869 /nfs/dbraw/zinc/99/58/69/530995869.db2.gz ONYHWHOIKGORMQ-UHFFFAOYSA-N 0 3 376.429 0.814 20 0 GCADHN COC[C@]1(C[N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)CCC[NH2+]1 ZINC000262289195 530996077 /nfs/dbraw/zinc/99/60/77/530996077.db2.gz MTZOUEHBHCAFKH-OAHLLOKOSA-N 0 3 375.516 0.474 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C2(S(C)(=O)=O)CCNCC2)C[C@H](C)O1 ZINC000262354209 530996622 /nfs/dbraw/zinc/99/66/22/530996622.db2.gz JMGCATQHZVVSJB-OKILXGFUSA-N 0 3 375.535 0.157 20 0 GCADHN NCC(=O)NCC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000262422959 530997186 /nfs/dbraw/zinc/99/71/86/530997186.db2.gz RFNHPGKPVWNRPR-UHFFFAOYSA-N 0 3 383.290 0.605 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(Br)c1 ZINC000572136331 530985725 /nfs/dbraw/zinc/98/57/25/530985725.db2.gz XUEUKQGSXXXJPC-CMPLNLGQSA-N 0 3 395.257 0.466 20 0 GCADHN C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000261783976 530990512 /nfs/dbraw/zinc/99/05/12/530990512.db2.gz KHPBELOFRIDSOC-RKDXNWHRSA-N 0 3 396.332 0.985 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)c(OC)c1 ZINC000261809629 530990526 /nfs/dbraw/zinc/99/05/26/530990526.db2.gz ORQOFVMBFLITQZ-OAHLLOKOSA-N 0 3 391.515 0.816 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000524814904 530990690 /nfs/dbraw/zinc/99/06/90/530990690.db2.gz ZSPPZRDJZLQTGV-HRCADAONSA-N 0 3 376.567 0.340 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN(CC3CC3)C2)cn1 ZINC000660180772 531005643 /nfs/dbraw/zinc/00/56/43/531005643.db2.gz VNTQPHWPMDCRAC-CQSZACIVSA-N 0 3 387.527 0.885 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660415896 531007271 /nfs/dbraw/zinc/00/72/71/531007271.db2.gz ADXSQFWGKYFOBF-HNNXBMFYSA-N 0 3 376.523 0.211 20 0 GCADHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000614443719 531008163 /nfs/dbraw/zinc/00/81/63/531008163.db2.gz YLAJCSHAICRCLY-HUUCEWRRSA-N 0 3 375.535 0.398 20 0 GCADHN [NH3+]C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000580432794 531010842 /nfs/dbraw/zinc/01/08/42/531010842.db2.gz ZTFHTXOLONPIJO-VIFPVBQESA-N 0 3 382.269 0.458 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CCN2C1=O ZINC000580452521 531011417 /nfs/dbraw/zinc/01/14/17/531011417.db2.gz XQCPZWPEHUMZSW-GXSJLCMTSA-N 0 3 381.351 0.777 20 0 GCADHN COCCN1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000528474074 531011556 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O=C(CS(=O)(=O)Cc1cccc(Br)c1)NC[C@@H]1CNCCO1 ZINC000423987351 531019275 /nfs/dbraw/zinc/01/92/75/531019275.db2.gz HOYIEZOBGYPWHS-ZDUSSCGKSA-N 0 3 391.287 0.469 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCOCCN(C)C)s1 ZINC000538648747 531034754 /nfs/dbraw/zinc/03/47/54/531034754.db2.gz YPRTXYNFPWIUPK-AWEZNQCLSA-N 0 3 389.543 0.904 20 0 GCADHN CN(C)CCNC(=O)CNC(=O)c1ccccc1I ZINC000192519887 531020944 /nfs/dbraw/zinc/02/09/44/531020944.db2.gz JYKRGBLSEYTSHN-UHFFFAOYSA-N 0 3 375.210 0.699 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)cs1 ZINC000527473458 531023057 /nfs/dbraw/zinc/02/30/57/531023057.db2.gz OCNVILKHRXOMCC-AWEZNQCLSA-N 0 3 384.527 0.911 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000580484665 531031828 /nfs/dbraw/zinc/03/18/28/531031828.db2.gz WWGZORZPUJNBSY-UHFFFAOYSA-N 0 3 387.424 0.135 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)c3cc(I)c[nH]3)C[C@H]2N)cn1 ZINC000424222851 531032194 /nfs/dbraw/zinc/03/21/94/531032194.db2.gz FXIZAIXDBVXMOJ-WDEREUQCSA-N 0 3 385.209 0.920 20 0 GCADHN CNS(=O)(=O)c1ccc(CS(=O)(=O)C(C)C(=O)N(C)C(C)C)cc1 ZINC000663296931 531032325 /nfs/dbraw/zinc/03/23/25/531032325.db2.gz VXIXBPIAEFYWAF-LBPRGKRZSA-N 0 3 376.500 0.765 20 0 GCADHN CNS(=O)(=O)c1ccc(CS(=O)(=O)C(C)C(=O)NCC(C)C)cc1 ZINC000663296179 531032359 /nfs/dbraw/zinc/03/23/59/531032359.db2.gz GKVKNOSIUNUSMY-LBPRGKRZSA-N 0 3 376.500 0.670 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@]2(C)CC[NH2+]C2)s1 ZINC000663313212 531032663 /nfs/dbraw/zinc/03/26/63/531032663.db2.gz UTZRAGXSPJLDQM-CYBMUJFWSA-N 0 3 381.545 0.260 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@]2(C)CC[NH2+]C2)s1 ZINC000663313213 531033104 /nfs/dbraw/zinc/03/31/04/531033104.db2.gz UTZRAGXSPJLDQM-ZDUSSCGKSA-N 0 3 381.545 0.260 20 0 GCADHN CC(C)O[C@@]1(CS(=O)(=O)NCC2(O)CCN(C(C)C)CC2)CCOC1 ZINC000659927487 530998812 /nfs/dbraw/zinc/99/88/12/530998812.db2.gz JSSCQYYNNOTSEN-KRWDZBQOSA-N 0 3 378.535 0.725 20 0 GCADHN O=S1(=O)C[C@H](NCCc2nsc3ccccc23)[C@@H](N2CCOCC2)C1 ZINC000660073437 531002986 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20 0 GCADHN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Br)o3)C[C@H]2N)cn1 ZINC000424391280 531036610 /nfs/dbraw/zinc/03/66/10/531036610.db2.gz MKUJIUDWHQLENJ-VHSXEESVSA-N 0 3 375.248 0.891 20 0 GCADHN CN(C)C(=O)N1CCC(NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000539261052 531040375 /nfs/dbraw/zinc/04/03/75/531040375.db2.gz VRFKLKGRMYAARM-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000614850889 531041075 /nfs/dbraw/zinc/04/10/75/531041075.db2.gz CIOWTLABDRDSTG-GJZGRUSLSA-N 0 3 398.301 0.979 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCCSCC(F)(F)F)C[C@H]2N)cn1 ZINC000424525566 531041391 /nfs/dbraw/zinc/04/13/91/531041391.db2.gz QVBMBPDJXKLDFF-WDEREUQCSA-N 0 3 379.408 0.085 20 0 GCADHN CN(C)CCN1CCC(NC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000612403041 531041694 /nfs/dbraw/zinc/04/16/94/531041694.db2.gz DKGPAPMHXDEDMX-UHFFFAOYSA-N 0 3 377.555 0.030 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000614852017 531042295 /nfs/dbraw/zinc/04/22/95/531042295.db2.gz FLAJFOVYCCNTIW-OLZOCXBDSA-N 0 3 375.516 0.330 20 0 GCADHN CCCC[NH+]1CCC(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000068443537 531045063 /nfs/dbraw/zinc/04/50/63/531045063.db2.gz XYVIXZBEUWKJGR-UHFFFAOYSA-N 0 3 387.278 0.680 20 0 GCADHN CC(C)C[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[NH+](C)C ZINC000120424731 531045430 /nfs/dbraw/zinc/04/54/30/531045430.db2.gz OWRJHKYTMZKLOF-JTQLQIEISA-N 0 3 375.267 0.392 20 0 GCADHN CN(C)C[C@H](NC(=O)NCCNS(=O)(=O)N(C)C)c1ccc(Cl)cc1 ZINC000665009097 531046694 /nfs/dbraw/zinc/04/66/94/531046694.db2.gz DLTGETBGRKYHLY-AWEZNQCLSA-N 0 3 391.925 0.638 20 0 GCADHN CN(C)C[C@@H](NC(=O)NCCNS(=O)(=O)N(C)C)c1ccc(F)cc1 ZINC000665008994 531046722 /nfs/dbraw/zinc/04/67/22/531046722.db2.gz DCIHDTHUIXWPEH-CQSZACIVSA-N 0 3 375.470 0.124 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)N1CCCC1 ZINC000540273424 531048423 /nfs/dbraw/zinc/04/84/23/531048423.db2.gz HDPBCDFADAWHKI-JTQLQIEISA-N 0 3 385.262 0.687 20 0 GCADHN CC(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)S(=O)(=O)C1CCOCC1 ZINC000540456756 531049608 /nfs/dbraw/zinc/04/96/08/531049608.db2.gz ZQPSJNHKYABYPI-QWRGUYRKSA-N 0 3 391.408 0.103 20 0 GCADHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2cc(Br)ccn2)n1 ZINC000645782728 531051164 /nfs/dbraw/zinc/05/11/64/531051164.db2.gz KJTXPDNPFNDVOE-UHFFFAOYSA-N 0 3 395.261 0.857 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCC[C@@]1(C)CCCO)S(C)(=O)=O ZINC000540712079 531052062 /nfs/dbraw/zinc/05/20/62/531052062.db2.gz BHZJSNSLJFAYGH-KRWDZBQOSA-N 0 3 377.551 0.790 20 0 GCADHN C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000262722261 531055343 /nfs/dbraw/zinc/05/53/43/531055343.db2.gz GAJFJOUTIJTIEE-RKDXNWHRSA-N 0 3 396.332 0.903 20 0 GCADHN O=C(C[C@@H]1CSCCN1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000262740890 531058352 /nfs/dbraw/zinc/05/83/52/531058352.db2.gz DSQHFPIREPYAIC-GFCCVEGCSA-N 0 3 377.919 0.830 20 0 GCADHN COCCOc1ccc(F)cc1S(=O)(=O)[N-]CCCN1CC[NH2+]CC1 ZINC000262741420 531058395 /nfs/dbraw/zinc/05/83/95/531058395.db2.gz CEZGEGJGYOEXSW-UHFFFAOYSA-N 0 3 375.466 0.425 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]C1 ZINC000262748251 531059942 /nfs/dbraw/zinc/05/99/42/531059942.db2.gz FMLSLGWOTUTKOA-CYBMUJFWSA-N 0 3 375.516 0.605 20 0 GCADHN CC(C)[C@@H](C(=O)NC[C@H](O)CN1CCC(C)CC1)N1CCCS1(=O)=O ZINC000541786855 531060404 /nfs/dbraw/zinc/06/04/04/531060404.db2.gz JIRDIESVDDYASV-HOTGVXAUSA-N 0 3 375.535 0.256 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](N)c1ccccc1 ZINC000262750800 531060520 /nfs/dbraw/zinc/06/05/20/531060520.db2.gz GGISOHJSBAXJMG-CQSZACIVSA-N 0 3 383.495 0.915 20 0 GCADHN C[C@H](CCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)N1CCCCC1 ZINC000544189097 531078771 /nfs/dbraw/zinc/07/87/71/531078771.db2.gz KLMIGJKPOLHVDU-CYBMUJFWSA-N 0 3 375.516 0.877 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000515087509 531086156 /nfs/dbraw/zinc/08/61/56/531086156.db2.gz PNJGOMZDVWDKET-GJZGRUSLSA-N 0 3 375.539 0.288 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000515162748 531086670 /nfs/dbraw/zinc/08/66/70/531086670.db2.gz NTRQXTOTKVNFMY-QWRGUYRKSA-N 0 3 386.392 0.943 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)C(C)S(=O)(=O)C2CCOCC2)[C@@]12CCCO2 ZINC000546055713 531089144 /nfs/dbraw/zinc/08/91/44/531089144.db2.gz OEQGVCNHDCDESL-JWDQPFGJSA-N 0 3 375.487 0.812 20 0 GCADHN CSC1(CNC(=O)C(=O)Nc2ccn(CC(F)F)n2)CCN(C)CC1 ZINC000576627524 531090210 /nfs/dbraw/zinc/09/02/10/531090210.db2.gz ADCSPXLMCSIDBV-UHFFFAOYSA-N 0 3 375.445 1.030 20 0 GCADHN COCCN1CC[C@@H](NC(=O)Nc2ccncc2I)C1 ZINC000546131705 531090762 /nfs/dbraw/zinc/09/07/62/531090762.db2.gz GLVSZINELFLANV-SNVBAGLBSA-N 0 3 390.225 0.950 20 0 GCADHN CN1CC[C@](O)(CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000546577623 531092205 /nfs/dbraw/zinc/09/22/05/531092205.db2.gz OLBJYHQATBTRDD-AWEZNQCLSA-N 0 3 376.866 0.900 20 0 GCADHN COc1cc(Br)cc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000546587509 531092452 /nfs/dbraw/zinc/09/24/52/531092452.db2.gz 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531096187 /nfs/dbraw/zinc/09/61/87/531096187.db2.gz XDZFOYNSRFBENO-MRXNPFEDSA-N 0 3 395.257 0.342 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000547714756 531102646 /nfs/dbraw/zinc/10/26/46/531102646.db2.gz DFHITEJJBXJRDC-CQSZACIVSA-N 0 3 387.527 0.842 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000547714755 531102868 /nfs/dbraw/zinc/10/28/68/531102868.db2.gz DFHITEJJBXJRDC-AWEZNQCLSA-N 0 3 387.527 0.842 20 0 GCADHN CN(C)CCOCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000537545352 531072007 /nfs/dbraw/zinc/07/20/07/531072007.db2.gz OEDFCEXQBUSRPF-CYBMUJFWSA-N 0 3 375.516 0.596 20 0 GCADHN CN(C)CCOCCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000543392265 531072728 /nfs/dbraw/zinc/07/27/28/531072728.db2.gz KRLWJSZZSMKKSL-UHFFFAOYSA-N 0 3 397.273 0.853 20 0 GCADHN O=C(C[C@@H]1CSCCN1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000262835776 531072973 /nfs/dbraw/zinc/07/29/73/531072973.db2.gz WGJSXZPYJCXTFG-CQSZACIVSA-N 0 3 387.502 0.754 20 0 GCADHN CS[C@H]1CN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C[C@H]1N1CCCC1 ZINC000547949905 531108117 /nfs/dbraw/zinc/10/81/17/531108117.db2.gz REYLQTUSLBBJDR-OLZOCXBDSA-N 0 3 389.568 0.976 20 0 GCADHN CCCC[C@@H](C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000429622035 531109020 /nfs/dbraw/zinc/10/90/20/531109020.db2.gz MOFCZFIRLCBOMC-LBPRGKRZSA-N 0 3 390.531 0.296 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCCOc1cccc(S(C)(=O)=O)c1 ZINC000429714843 531109136 /nfs/dbraw/zinc/10/91/36/531109136.db2.gz HIXFWKZORHOFHU-JKSUJKDBSA-N 0 3 390.527 0.919 20 0 GCADHN CCCC[C@H](C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000429622034 531109168 /nfs/dbraw/zinc/10/91/68/531109168.db2.gz MOFCZFIRLCBOMC-GFCCVEGCSA-N 0 3 390.531 0.296 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CNCCO2)s1 ZINC000429817932 531110125 /nfs/dbraw/zinc/11/01/25/531110125.db2.gz FRIIKODJFRCQRN-GFCCVEGCSA-N 0 3 375.516 0.773 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000263254817 531110828 /nfs/dbraw/zinc/11/08/28/531110828.db2.gz QGWJWTHRYBABGU-AWEZNQCLSA-N 0 3 386.294 0.909 20 0 GCADHN COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000430324903 531111916 /nfs/dbraw/zinc/11/19/16/531111916.db2.gz VYZOJGBOIOPMLB-MRVPVSSYSA-N 0 3 392.239 0.757 20 0 GCADHN COC1(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC[NH2+]CC1 ZINC000430189628 531112084 /nfs/dbraw/zinc/11/20/84/531112084.db2.gz XUBAALLXTVSOCZ-UHFFFAOYSA-N 0 3 387.527 0.786 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N[C@@H]1CCN(CC2CC2)C1)C(F)(F)F ZINC000672426761 531112355 /nfs/dbraw/zinc/11/23/55/531112355.db2.gz MDYCQBXGXMSFEG-VXGBXAGGSA-N 0 3 386.440 0.592 20 0 GCADHN C[C@@H]1CN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C[C@H](C)N1 ZINC000430966494 531114314 /nfs/dbraw/zinc/11/43/14/531114314.db2.gz NZYGOXGNKIEKQN-ZNMIVQPWSA-N 0 3 385.555 0.946 20 0 GCADHN C[C@@H]1CN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C[C@H](C)N1 ZINC000430966492 531114411 /nfs/dbraw/zinc/11/44/11/531114411.db2.gz NZYGOXGNKIEKQN-QLFBSQMISA-N 0 3 385.555 0.946 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000431278656 531114695 /nfs/dbraw/zinc/11/46/95/531114695.db2.gz BEOKBFZLFDBINL-CQSZACIVSA-N 0 3 376.523 0.101 20 0 GCADHN C[C@@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)N1CCCC1 ZINC000548370055 531115184 /nfs/dbraw/zinc/11/51/84/531115184.db2.gz RJJTWWGRHUAQGL-AWEZNQCLSA-N 0 3 375.516 0.369 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)s1 ZINC000673306943 531116750 /nfs/dbraw/zinc/11/67/50/531116750.db2.gz CUTXULXTCLUCJT-GFCCVEGCSA-N 0 3 385.511 0.465 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000673523712 531118127 /nfs/dbraw/zinc/11/81/27/531118127.db2.gz ZGBFFMMGEUSJFI-DGCLKSJQSA-N 0 3 384.274 0.841 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000673530537 531118415 /nfs/dbraw/zinc/11/84/15/531118415.db2.gz JJJMXDGOTYNKAG-ZIAGYGMSSA-N 0 3 387.527 0.474 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000432716528 531125118 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C[C@@H]1CN(CCCCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C[C@H](C)O1 ZINC000433095343 531127372 /nfs/dbraw/zinc/12/73/72/531127372.db2.gz XSGRGOFYADRKBB-ZNMIVQPWSA-N 0 3 377.551 0.956 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)c1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000549628357 531127901 /nfs/dbraw/zinc/12/79/01/531127901.db2.gz MPCLSPGVLNFEKQ-VXGBXAGGSA-N 0 3 394.540 0.958 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)c1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000549628355 531127929 /nfs/dbraw/zinc/12/79/29/531127929.db2.gz MPCLSPGVLNFEKQ-NWDGAFQWSA-N 0 3 394.540 0.958 20 0 GCADHN C[C@H]1CN(CCCNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCCO1 ZINC000433337072 531127943 /nfs/dbraw/zinc/12/79/43/531127943.db2.gz XSEINPJXEWZIMX-LSDHHAIUSA-N 0 3 376.523 0.211 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CCCO1 ZINC000433337069 531128137 /nfs/dbraw/zinc/12/81/37/531128137.db2.gz XSEINPJXEWZIMX-CABCVRRESA-N 0 3 376.523 0.211 20 0 GCADHN C[C@H]1CN(CCCNC(=O)NC2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC000433281278 531128375 /nfs/dbraw/zinc/12/83/75/531128375.db2.gz ICISVRSGKRTOFF-AWEZNQCLSA-N 0 3 376.523 0.211 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CCCO1 ZINC000433400762 531129534 /nfs/dbraw/zinc/12/95/34/531129534.db2.gz UWGGUPODYZBFNI-HUUCEWRRSA-N 0 3 376.523 0.068 20 0 GCADHN C[C@H](NCCN1CCN(S(C)(=O)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000675819739 531132957 /nfs/dbraw/zinc/13/29/57/531132957.db2.gz SAEXWWYLWHFSGX-AWEZNQCLSA-N 0 3 389.543 0.318 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000675917914 531134107 /nfs/dbraw/zinc/13/41/07/531134107.db2.gz JRGDAELNNKXTRT-AWEZNQCLSA-N 0 3 398.305 0.801 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000434420745 531135866 /nfs/dbraw/zinc/13/58/66/531135866.db2.gz SBWGCMRJJASWGE-ZIAGYGMSSA-N 0 3 381.564 0.010 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCOCC[NH+](C)C)c1OC ZINC000551213874 531136089 /nfs/dbraw/zinc/13/60/89/531136089.db2.gz CSGMARDGGBXKDZ-UHFFFAOYSA-N 0 3 394.877 0.992 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 ZINC000154930302 531143861 /nfs/dbraw/zinc/14/38/61/531143861.db2.gz XCQVJZZMCPEDEG-GJZGRUSLSA-N 0 3 376.567 0.340 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(Br)c(F)c2)n1 ZINC000553008570 531147352 /nfs/dbraw/zinc/14/73/52/531147352.db2.gz MQHVXFCEMPRULT-UHFFFAOYSA-N 0 3 399.268 0.876 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cncc(Br)c2)CC1=O ZINC000552107842 531142117 /nfs/dbraw/zinc/14/21/17/531142117.db2.gz VOYIVRJITVPHPH-AWEZNQCLSA-N 0 3 399.289 0.753 20 0 GCADHN CN(CCNC(=O)CN(C)[C@H]1CCSC1)C(=O)CN(C)[C@@H]1CCSC1 ZINC000438363843 531153983 /nfs/dbraw/zinc/15/39/83/531153983.db2.gz MBRUIYHZXSVBOQ-LSDHHAIUSA-N 0 3 388.603 0.436 20 0 GCADHN CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@H](C)C1 ZINC000553577146 531154298 /nfs/dbraw/zinc/15/42/98/531154298.db2.gz RTBWAOJVHVHQMU-CQSZACIVSA-N 0 3 389.543 0.793 20 0 GCADHN COCCNc1nc(N[C@@H]2CSC[C@@H]2C)nc(N[C@@H]2CSC[C@H]2C)n1 ZINC000553675034 531155544 /nfs/dbraw/zinc/15/55/44/531155544.db2.gz SYHCJAZFHCXIKZ-YVECIDJPSA-N 0 3 384.575 0.522 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000511090434 531159036 /nfs/dbraw/zinc/15/90/36/531159036.db2.gz MOXXNZIVMPQKSP-VVLHAWIVSA-N 0 3 377.551 0.060 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000554867639 531165416 /nfs/dbraw/zinc/16/54/16/531165416.db2.gz WDLVGTNPRYQRAD-CQSZACIVSA-N 0 3 393.918 0.253 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000681187099 531164519 /nfs/dbraw/zinc/16/45/19/531164519.db2.gz QEFVZZUOBXEMCE-UHFFFAOYSA-N 0 3 377.555 0.030 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000440334270 531171239 /nfs/dbraw/zinc/17/12/39/531171239.db2.gz CIXHSRRODGTIGP-GHMZBOCLSA-N 0 3 379.479 0.864 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCNCC2)cc1 ZINC000440354384 531171312 /nfs/dbraw/zinc/17/13/12/531171312.db2.gz KJXSOCSZFBHMHL-UHFFFAOYSA-N 0 3 375.516 0.701 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531177764 /nfs/dbraw/zinc/17/77/64/531177764.db2.gz SRRPHHNTAJWSFT-KOLCDFICSA-N 0 3 382.408 0.594 20 0 GCADHN CN(C)CCn1ccc(C(=O)NCCN(C)S(=O)(=O)c2cccs2)n1 ZINC000565180555 531179977 /nfs/dbraw/zinc/17/99/77/531179977.db2.gz CZFQFWBWTHYZSO-UHFFFAOYSA-N 0 3 385.515 0.557 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)C(=O)N[C@H]2CC[S@](=O)C2)cc1Cl ZINC000441221720 531180596 /nfs/dbraw/zinc/18/05/96/531180596.db2.gz WNGXEOFNUICQGX-VDBVYFBLSA-N 0 3 387.889 0.856 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000683834539 531181769 /nfs/dbraw/zinc/18/17/69/531181769.db2.gz OFCKPPPVAJQRFY-CYBMUJFWSA-N 0 3 376.523 0.209 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000683883176 531181882 /nfs/dbraw/zinc/18/18/82/531181882.db2.gz CHULJGHRTZOJJX-LBPRGKRZSA-N 0 3 387.527 0.650 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1Br ZINC000565240284 531182865 /nfs/dbraw/zinc/18/28/65/531182865.db2.gz UMAOJXRXSNFLNW-QWRGUYRKSA-N 0 3 388.287 0.690 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)c(F)c3)CCN2C1=O ZINC000565240450 531182970 /nfs/dbraw/zinc/18/29/70/531182970.db2.gz WTRXCFHZIQCXNO-QPUJVOFHSA-N 0 3 392.250 0.521 20 0 GCADHN CN(C)CCOCCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000441884554 531183678 /nfs/dbraw/zinc/18/36/78/531183678.db2.gz XENMKWXVFZFNEV-UHFFFAOYSA-N 0 3 391.877 0.376 20 0 GCADHN O=C(C[C@H]1CSCC[NH2+]1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000565357891 531184691 /nfs/dbraw/zinc/18/46/91/531184691.db2.gz HQZNCYZBXVDEKS-NSHDSACASA-N 0 3 379.454 0.454 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)C1=CCN(C)CC1 ZINC000442333587 531186018 /nfs/dbraw/zinc/18/60/18/531186018.db2.gz KVCKQNFGXZODFF-JTQLQIEISA-N 0 3 397.273 0.853 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000153156951 531185715 /nfs/dbraw/zinc/18/57/15/531185715.db2.gz VOWWQPPUEUWHFU-MRXNPFEDSA-N 0 3 397.273 0.588 20 0 GCADHN CC[NH+](CC)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442450730 531186928 /nfs/dbraw/zinc/18/69/28/531186928.db2.gz XBMISDMTZSQBND-UHFFFAOYSA-N 0 3 378.445 0.884 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NCCCS(C)(=O)=O)C1=O ZINC000442781872 531189757 /nfs/dbraw/zinc/18/97/57/531189757.db2.gz OXAYCBQFUCUINB-UONOGXRCSA-N 0 3 376.519 0.978 20 0 GCADHN CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](NCCCS(C)(=O)=O)C1=O ZINC000442781868 531190209 /nfs/dbraw/zinc/19/02/09/531190209.db2.gz OXAYCBQFUCUINB-KBPBESRZSA-N 0 3 376.519 0.978 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000685499455 531190479 /nfs/dbraw/zinc/19/04/79/531190479.db2.gz YHKVYYKWLPKFLI-CYBMUJFWSA-N 0 3 375.457 0.758 20 0 GCADHN C[C@@H](O)C[C@@H](C)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000565833481 531190833 /nfs/dbraw/zinc/19/08/33/531190833.db2.gz FVPMBWRVYIWSTF-ZIAGYGMSSA-N 0 3 392.543 0.707 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000264600216 531192434 /nfs/dbraw/zinc/19/24/34/531192434.db2.gz DRIBOCWYCVHIGK-ZDUSSCGKSA-N 0 3 375.516 0.652 20 0 GCADHN CN(C)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)C[C@@H]1O ZINC000565901489 531191544 /nfs/dbraw/zinc/19/15/44/531191544.db2.gz PWGPJAOOYTYSGM-STQMWFEESA-N 0 3 375.878 0.142 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CCSC1 ZINC000565906751 531191566 /nfs/dbraw/zinc/19/15/66/531191566.db2.gz WMPSVCIKBVVXFB-XOKHGSTOSA-N 0 3 387.571 0.711 20 0 GCADHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000685516127 531191616 /nfs/dbraw/zinc/19/16/16/531191616.db2.gz WZQUWZIXKBBNAZ-ZDUSSCGKSA-N 0 3 377.532 0.944 20 0 GCADHN CCN1CCC(Nc2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)CC1 ZINC000566014263 531193250 /nfs/dbraw/zinc/19/32/50/531193250.db2.gz XJJVAKHHFPUJIR-UHFFFAOYSA-N 0 3 390.531 0.481 20 0 GCADHN CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)cc1Cl ZINC000566224585 531195740 /nfs/dbraw/zinc/19/57/40/531195740.db2.gz TZLSADNHHKPNHB-SNVBAGLBSA-N 0 3 378.857 0.619 20 0 GCADHN O=C(CN1CCNCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000566298407 531196016 /nfs/dbraw/zinc/19/60/16/531196016.db2.gz YJRVFTSJNIZBAG-UHFFFAOYSA-N 0 3 386.905 0.078 20 0 GCADHN CN1CCN(CCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1(C)C ZINC000443089583 531196729 /nfs/dbraw/zinc/19/67/29/531196729.db2.gz POCFDPQEJMPZBD-UHFFFAOYSA-N 0 3 383.440 0.750 20 0 GCADHN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443101325 531197116 /nfs/dbraw/zinc/19/71/16/531197116.db2.gz HZSLMPULVLUKEE-GJZGRUSLSA-N 0 3 375.535 0.664 20 0 GCADHN Cc1ccccc1CN1CCCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000359954274 206272893 /nfs/dbraw/zinc/27/28/93/206272893.db2.gz AANNTJSPSWEXFA-UHFFFAOYSA-N 0 3 396.495 0.977 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]C1CCN(C[C@@H]3CCCO3)CC1)C2 ZINC000738450097 598837846 /nfs/dbraw/zinc/83/78/46/598837846.db2.gz OBNVWRRPPLXVSX-HIFRSBDPSA-N 0 3 387.492 0.338 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]C1CCN(C[C@@H]3CCCO3)CC1)C2 ZINC000738450097 598837848 /nfs/dbraw/zinc/83/78/48/598837848.db2.gz OBNVWRRPPLXVSX-HIFRSBDPSA-N 0 3 387.492 0.338 20 0 GCADHN C[NH+](C)C1(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC000736755977 598879686 /nfs/dbraw/zinc/87/96/86/598879686.db2.gz DSITUVBERRDSLW-UHFFFAOYSA-N 0 3 377.424 0.916 20 0 GCADHN C[NH+](C)C1(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000736755977 598879687 /nfs/dbraw/zinc/87/96/87/598879687.db2.gz DSITUVBERRDSLW-UHFFFAOYSA-N 0 3 377.424 0.916 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737766378 598916249 /nfs/dbraw/zinc/91/62/49/598916249.db2.gz ZVVQBTSKCKIGIX-LBPRGKRZSA-N 0 3 393.473 0.196 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737766378 598916251 /nfs/dbraw/zinc/91/62/51/598916251.db2.gz ZVVQBTSKCKIGIX-LBPRGKRZSA-N 0 3 393.473 0.196 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737161933 599010693 /nfs/dbraw/zinc/01/06/93/599010693.db2.gz ODIBKDKNBOSDBO-GRYCIOLGSA-N 0 3 380.478 0.050 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737161933 599010695 /nfs/dbraw/zinc/01/06/95/599010695.db2.gz ODIBKDKNBOSDBO-GRYCIOLGSA-N 0 3 380.478 0.050 20 0 GCADHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000821598973 599060749 /nfs/dbraw/zinc/06/07/49/599060749.db2.gz AOLMKMMCQOIXPB-LBPRGKRZSA-N 0 3 379.490 0.825 20 0 GCADHN CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000821598973 599060752 /nfs/dbraw/zinc/06/07/52/599060752.db2.gz AOLMKMMCQOIXPB-LBPRGKRZSA-N 0 3 379.490 0.825 20 0 GCADHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000821598973 599060757 /nfs/dbraw/zinc/06/07/57/599060757.db2.gz AOLMKMMCQOIXPB-LBPRGKRZSA-N 0 3 379.490 0.825 20 0 GCADHN CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000821598973 599060759 /nfs/dbraw/zinc/06/07/59/599060759.db2.gz AOLMKMMCQOIXPB-LBPRGKRZSA-N 0 3 379.490 0.825 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000735560633 599078840 /nfs/dbraw/zinc/07/88/40/599078840.db2.gz DVUSLOGEYUKUJB-QAPCUYQASA-N 0 3 398.515 0.906 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560633 599078843 /nfs/dbraw/zinc/07/88/43/599078843.db2.gz DVUSLOGEYUKUJB-QAPCUYQASA-N 0 3 398.515 0.906 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736855341 599079604 /nfs/dbraw/zinc/07/96/04/599079604.db2.gz GEWKJDKCNRZBHT-SFHVURJKSA-N 0 3 398.515 0.195 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736855341 599079607 /nfs/dbraw/zinc/07/96/07/599079607.db2.gz GEWKJDKCNRZBHT-SFHVURJKSA-N 0 3 398.515 0.195 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736859250 599080170 /nfs/dbraw/zinc/08/01/70/599080170.db2.gz XZLDXCZVHZNJAA-KRWDZBQOSA-N 0 3 384.488 0.517 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000736859250 599080173 /nfs/dbraw/zinc/08/01/73/599080173.db2.gz XZLDXCZVHZNJAA-KRWDZBQOSA-N 0 3 384.488 0.517 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736855336 599080715 /nfs/dbraw/zinc/08/07/15/599080715.db2.gz GEWKJDKCNRZBHT-GOSISDBHSA-N 0 3 398.515 0.195 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736855336 599080718 /nfs/dbraw/zinc/08/07/18/599080718.db2.gz GEWKJDKCNRZBHT-GOSISDBHSA-N 0 3 398.515 0.195 20 0 GCADHN COC(=O)COc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736931669 599101574 /nfs/dbraw/zinc/10/15/74/599101574.db2.gz SHBXFQWIGAFISO-CYBMUJFWSA-N 0 3 398.427 0.447 20 0 GCADHN COC(=O)COc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736931669 599101576 /nfs/dbraw/zinc/10/15/76/599101576.db2.gz SHBXFQWIGAFISO-CYBMUJFWSA-N 0 3 398.427 0.447 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC[N@@H+]1C ZINC000736232397 599105757 /nfs/dbraw/zinc/10/57/57/599105757.db2.gz CTYJSJXVXGBBDR-YPMHNXCESA-N 0 3 381.444 0.847 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC[N@H+]1C ZINC000736232397 599105759 /nfs/dbraw/zinc/10/57/59/599105759.db2.gz CTYJSJXVXGBBDR-YPMHNXCESA-N 0 3 381.444 0.847 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC[N@@H+]1C ZINC000736232397 599105761 /nfs/dbraw/zinc/10/57/61/599105761.db2.gz CTYJSJXVXGBBDR-YPMHNXCESA-N 0 3 381.444 0.847 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC[N@H+]1C ZINC000736232397 599105763 /nfs/dbraw/zinc/10/57/63/599105763.db2.gz CTYJSJXVXGBBDR-YPMHNXCESA-N 0 3 381.444 0.847 20 0 GCADHN O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737838242 599144983 /nfs/dbraw/zinc/14/49/83/599144983.db2.gz KWRRZKAKQJKFIX-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737838242 599144985 /nfs/dbraw/zinc/14/49/85/599144985.db2.gz KWRRZKAKQJKFIX-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737838242 599144989 /nfs/dbraw/zinc/14/49/89/599144989.db2.gz KWRRZKAKQJKFIX-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737838242 599144993 /nfs/dbraw/zinc/14/49/93/599144993.db2.gz KWRRZKAKQJKFIX-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736854652 599148069 /nfs/dbraw/zinc/14/80/69/599148069.db2.gz FANYHHHYEKMKNQ-KRWDZBQOSA-N 0 3 384.488 0.788 20 0 GCADHN C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736854652 599148070 /nfs/dbraw/zinc/14/80/70/599148070.db2.gz FANYHHHYEKMKNQ-KRWDZBQOSA-N 0 3 384.488 0.788 20 0 GCADHN C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736758690 599210127 /nfs/dbraw/zinc/21/01/27/599210127.db2.gz IIEGDSAPEPOVOJ-SNVBAGLBSA-N 0 3 386.865 0.471 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000737769829 599260170 /nfs/dbraw/zinc/26/01/70/599260170.db2.gz OEARMKDPZTUZHX-UHFFFAOYSA-N 0 3 386.441 0.236 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000737769829 599260172 /nfs/dbraw/zinc/26/01/72/599260172.db2.gz OEARMKDPZTUZHX-UHFFFAOYSA-N 0 3 386.441 0.236 20 0 GCADHN C[NH+](C)Cc1ccc(C(N)=O)cc1NC[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821586986 607317656 /nfs/dbraw/zinc/31/76/56/607317656.db2.gz AMTBJJDMSCECEO-NSHDSACASA-N 0 3 396.459 0.378 20 0 GCADHN C[NH+]1CCC2(CCN2C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736855875 599275994 /nfs/dbraw/zinc/27/59/94/599275994.db2.gz IKICHTBRELSIPQ-UHFFFAOYSA-N 0 3 393.455 0.945 20 0 GCADHN C[NH+]1CCC2(CCN2C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000736855875 599275996 /nfs/dbraw/zinc/27/59/96/599275996.db2.gz IKICHTBRELSIPQ-UHFFFAOYSA-N 0 3 393.455 0.945 20 0 GCADHN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC[C@@H]1CCCN1C ZINC000735904854 599282652 /nfs/dbraw/zinc/28/26/52/599282652.db2.gz UIPAZCKEQNJFML-ZDUSSCGKSA-N 0 3 387.444 0.803 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC ZINC000736569327 599283413 /nfs/dbraw/zinc/28/34/13/599283413.db2.gz FZGRVVIRGSOPDL-CYBMUJFWSA-N 0 3 387.444 0.804 20 0 GCADHN CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821182000 607342067 /nfs/dbraw/zinc/34/20/67/607342067.db2.gz RQOBRWBDBXIAAG-LBPRGKRZSA-N 0 3 375.408 0.887 20 0 GCADHN CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821182000 607342070 /nfs/dbraw/zinc/34/20/70/607342070.db2.gz RQOBRWBDBXIAAG-LBPRGKRZSA-N 0 3 375.408 0.887 20 0 GCADHN CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736846769 598239621 /nfs/dbraw/zinc/23/96/21/598239621.db2.gz BODWTPDMNCXHGI-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736846769 598239622 /nfs/dbraw/zinc/23/96/22/598239622.db2.gz BODWTPDMNCXHGI-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736846769 598239624 /nfs/dbraw/zinc/23/96/24/598239624.db2.gz BODWTPDMNCXHGI-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736846769 598239626 /nfs/dbraw/zinc/23/96/26/598239626.db2.gz BODWTPDMNCXHGI-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737746921 598255906 /nfs/dbraw/zinc/25/59/06/598255906.db2.gz UJSDMRRBRXPNSO-HNNXBMFYSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737746921 598255908 /nfs/dbraw/zinc/25/59/08/598255908.db2.gz UJSDMRRBRXPNSO-HNNXBMFYSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737746921 598255910 /nfs/dbraw/zinc/25/59/10/598255910.db2.gz UJSDMRRBRXPNSO-HNNXBMFYSA-N 0 3 386.460 0.253 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737746921 598255912 /nfs/dbraw/zinc/25/59/12/598255912.db2.gz UJSDMRRBRXPNSO-HNNXBMFYSA-N 0 3 386.460 0.253 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC000736536136 598305617 /nfs/dbraw/zinc/30/56/17/598305617.db2.gz DSKJIZKMHLTHEX-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC000736536136 598305618 /nfs/dbraw/zinc/30/56/18/598305618.db2.gz DSKJIZKMHLTHEX-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC000736536136 598305620 /nfs/dbraw/zinc/30/56/20/598305620.db2.gz DSKJIZKMHLTHEX-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC000736536136 598305622 /nfs/dbraw/zinc/30/56/22/598305622.db2.gz DSKJIZKMHLTHEX-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000738384360 598313715 /nfs/dbraw/zinc/31/37/15/598313715.db2.gz DNKVYOAZQGKIQM-HUUCEWRRSA-N 0 3 375.429 0.691 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000738384360 598313716 /nfs/dbraw/zinc/31/37/16/598313716.db2.gz DNKVYOAZQGKIQM-HUUCEWRRSA-N 0 3 375.429 0.691 20 0 GCADHN COCCN1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000737006094 598344145 /nfs/dbraw/zinc/34/41/45/598344145.db2.gz VRODYDRXOKQISC-GOEBONIOSA-N 0 3 376.461 0.259 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736144607 598348109 /nfs/dbraw/zinc/34/81/09/598348109.db2.gz PLBJYSAAJQSYEA-PBHICJAKSA-N 0 3 390.488 0.383 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736144607 598348114 /nfs/dbraw/zinc/34/81/14/598348114.db2.gz PLBJYSAAJQSYEA-PBHICJAKSA-N 0 3 390.488 0.383 20 0 GCADHN C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000736289624 598352175 /nfs/dbraw/zinc/35/21/75/598352175.db2.gz WJARVRPQXLBXAT-RHSMWYFYSA-N 0 3 389.479 0.843 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000736289623 598352500 /nfs/dbraw/zinc/35/25/00/598352500.db2.gz WJARVRPQXLBXAT-PBHICJAKSA-N 0 3 389.479 0.843 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736145308 598375107 /nfs/dbraw/zinc/37/51/07/598375107.db2.gz SNLGMOOUINMBIX-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736145308 598375109 /nfs/dbraw/zinc/37/51/09/598375109.db2.gz SNLGMOOUINMBIX-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736145308 598375111 /nfs/dbraw/zinc/37/51/11/598375111.db2.gz SNLGMOOUINMBIX-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736145308 598375113 /nfs/dbraw/zinc/37/51/13/598375113.db2.gz SNLGMOOUINMBIX-LBPRGKRZSA-N 0 3 380.474 0.332 20 0 GCADHN C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736756448 598376193 /nfs/dbraw/zinc/37/61/93/598376193.db2.gz IOSZRXJHAJGUPP-CQSZACIVSA-N 0 3 381.444 0.801 20 0 GCADHN C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736756448 598376195 /nfs/dbraw/zinc/37/61/95/598376195.db2.gz IOSZRXJHAJGUPP-CQSZACIVSA-N 0 3 381.444 0.801 20 0 GCADHN C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736266813 598397936 /nfs/dbraw/zinc/39/79/36/598397936.db2.gz KLKFSKQPZMITOJ-CQSZACIVSA-N 0 3 385.472 0.977 20 0 GCADHN C[C@@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736266813 598397938 /nfs/dbraw/zinc/39/79/38/598397938.db2.gz KLKFSKQPZMITOJ-CQSZACIVSA-N 0 3 385.472 0.977 20 0 GCADHN C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736266813 598397939 /nfs/dbraw/zinc/39/79/39/598397939.db2.gz KLKFSKQPZMITOJ-CQSZACIVSA-N 0 3 385.472 0.977 20 0 GCADHN C[C@@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736266813 598397942 /nfs/dbraw/zinc/39/79/42/598397942.db2.gz KLKFSKQPZMITOJ-CQSZACIVSA-N 0 3 385.472 0.977 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000736266890 598402978 /nfs/dbraw/zinc/40/29/78/598402978.db2.gz KTJCAOPTRAUMKC-UONOGXRCSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000736266890 598402980 /nfs/dbraw/zinc/40/29/80/598402980.db2.gz KTJCAOPTRAUMKC-UONOGXRCSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000736266890 598402982 /nfs/dbraw/zinc/40/29/82/598402982.db2.gz KTJCAOPTRAUMKC-UONOGXRCSA-N 0 3 385.472 0.976 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000736266890 598402984 /nfs/dbraw/zinc/40/29/84/598402984.db2.gz KTJCAOPTRAUMKC-UONOGXRCSA-N 0 3 385.472 0.976 20 0 GCADHN CC(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735831005 598405581 /nfs/dbraw/zinc/40/55/81/598405581.db2.gz LKZWAFNZOCBGSB-UHFFFAOYSA-N 0 3 385.472 0.833 20 0 GCADHN CC(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735831005 598405583 /nfs/dbraw/zinc/40/55/83/598405583.db2.gz LKZWAFNZOCBGSB-UHFFFAOYSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C)CC1 ZINC000736275939 598405762 /nfs/dbraw/zinc/40/57/62/598405762.db2.gz FNFNTUWPWARNAG-AWEZNQCLSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C)CC1 ZINC000736275939 598405764 /nfs/dbraw/zinc/40/57/64/598405764.db2.gz FNFNTUWPWARNAG-AWEZNQCLSA-N 0 3 385.472 0.833 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859963 598425758 /nfs/dbraw/zinc/42/57/58/598425758.db2.gz KRBMSZRXEVKUDQ-QGZVFWFLSA-N 0 3 399.499 0.874 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859963 598425760 /nfs/dbraw/zinc/42/57/60/598425760.db2.gz KRBMSZRXEVKUDQ-QGZVFWFLSA-N 0 3 399.499 0.874 20 0 GCADHN CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736323238 598431079 /nfs/dbraw/zinc/43/10/79/598431079.db2.gz WELYTBAUSHVAEA-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736323238 598431081 /nfs/dbraw/zinc/43/10/81/598431081.db2.gz WELYTBAUSHVAEA-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736323238 598431083 /nfs/dbraw/zinc/43/10/83/598431083.db2.gz WELYTBAUSHVAEA-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736323238 598431085 /nfs/dbraw/zinc/43/10/85/598431085.db2.gz WELYTBAUSHVAEA-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000737775596 598435351 /nfs/dbraw/zinc/43/53/51/598435351.db2.gz CYTBBGKQFOJKMY-HOTGVXAUSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000737775596 598435353 /nfs/dbraw/zinc/43/53/53/598435353.db2.gz CYTBBGKQFOJKMY-HOTGVXAUSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000737775596 598435356 /nfs/dbraw/zinc/43/53/56/598435356.db2.gz CYTBBGKQFOJKMY-HOTGVXAUSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000737775596 598435357 /nfs/dbraw/zinc/43/53/57/598435357.db2.gz CYTBBGKQFOJKMY-HOTGVXAUSA-N 0 3 393.455 0.991 20 0 GCADHN COCCN1CC[C@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737007582 598466406 /nfs/dbraw/zinc/46/64/06/598466406.db2.gz NFYWFBQNQHKQHC-DOTOQJQBSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[N@H+](C)C1CC1 ZINC000736020402 598502176 /nfs/dbraw/zinc/50/21/76/598502176.db2.gz PNVAVLRHFFFUGY-NSHDSACASA-N 0 3 381.444 0.847 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[N@@H+](C)C1CC1 ZINC000736020402 598502177 /nfs/dbraw/zinc/50/21/77/598502177.db2.gz PNVAVLRHFFFUGY-NSHDSACASA-N 0 3 381.444 0.847 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[N@H+](C)C1CC1 ZINC000736020402 598502178 /nfs/dbraw/zinc/50/21/78/598502178.db2.gz PNVAVLRHFFFUGY-NSHDSACASA-N 0 3 381.444 0.847 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[N@@H+](C)C1CC1 ZINC000736020402 598502179 /nfs/dbraw/zinc/50/21/79/598502179.db2.gz PNVAVLRHFFFUGY-NSHDSACASA-N 0 3 381.444 0.847 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736144136 598510046 /nfs/dbraw/zinc/51/00/46/598510046.db2.gz OAHPFURQTNGHOJ-ZDUSSCGKSA-N 0 3 394.501 0.474 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736144136 598510048 /nfs/dbraw/zinc/51/00/48/598510048.db2.gz OAHPFURQTNGHOJ-ZDUSSCGKSA-N 0 3 394.501 0.474 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736144136 598510050 /nfs/dbraw/zinc/51/00/50/598510050.db2.gz OAHPFURQTNGHOJ-ZDUSSCGKSA-N 0 3 394.501 0.474 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736144136 598510052 /nfs/dbraw/zinc/51/00/52/598510052.db2.gz OAHPFURQTNGHOJ-ZDUSSCGKSA-N 0 3 394.501 0.474 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736856691 598516661 /nfs/dbraw/zinc/51/66/61/598516661.db2.gz LWUGTLAXOIGEBO-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736856691 598516662 /nfs/dbraw/zinc/51/66/62/598516662.db2.gz LWUGTLAXOIGEBO-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736856691 598516663 /nfs/dbraw/zinc/51/66/63/598516663.db2.gz LWUGTLAXOIGEBO-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736856691 598516664 /nfs/dbraw/zinc/51/66/64/598516664.db2.gz LWUGTLAXOIGEBO-AWEZNQCLSA-N 0 3 385.476 0.435 20 0 GCADHN CCOC(=O)N1CCC([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736600263 598520238 /nfs/dbraw/zinc/52/02/38/598520238.db2.gz SBFHMBOCUCTXOJ-NSHDSACASA-N 0 3 375.437 0.315 20 0 GCADHN CCOC(=O)N1CCC([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736600263 598520240 /nfs/dbraw/zinc/52/02/40/598520240.db2.gz SBFHMBOCUCTXOJ-NSHDSACASA-N 0 3 375.437 0.315 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CCN1CCc3ccccc3C1)C2 ZINC000738443592 598520473 /nfs/dbraw/zinc/52/04/73/598520473.db2.gz YLMNGBKCWGNROT-AWEZNQCLSA-N 0 3 379.472 0.753 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CCN1CCc3ccccc3C1)C2 ZINC000738443592 598520475 /nfs/dbraw/zinc/52/04/75/598520475.db2.gz YLMNGBKCWGNROT-AWEZNQCLSA-N 0 3 379.472 0.753 20 0 GCADHN Cc1ccc(C(=O)NCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1F ZINC000737312373 598521831 /nfs/dbraw/zinc/52/18/31/598521831.db2.gz IVKXVOYAKWFNFU-GFCCVEGCSA-N 0 3 399.434 0.572 20 0 GCADHN Cc1ccc(C(=O)NCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1F ZINC000737312373 598521832 /nfs/dbraw/zinc/52/18/32/598521832.db2.gz IVKXVOYAKWFNFU-GFCCVEGCSA-N 0 3 399.434 0.572 20 0 GCADHN c1cnn(-c2cc(C[NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)ccn2)c1 ZINC000738448247 598522377 /nfs/dbraw/zinc/52/23/77/598522377.db2.gz NAWHTNWWJWWKAC-CYBMUJFWSA-N 0 3 377.416 0.475 20 0 GCADHN c1cnn(-c2cc(C[NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)ccn2)c1 ZINC000738448247 598522378 /nfs/dbraw/zinc/52/23/78/598522378.db2.gz NAWHTNWWJWWKAC-CYBMUJFWSA-N 0 3 377.416 0.475 20 0 GCADHN c1ncn(Cc2ccccc2C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000738437126 598522542 /nfs/dbraw/zinc/52/25/42/598522542.db2.gz ZGMRGWULKSFOCY-CYBMUJFWSA-N 0 3 391.443 0.535 20 0 GCADHN c1ncn(Cc2ccccc2C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000738437126 598522544 /nfs/dbraw/zinc/52/25/44/598522544.db2.gz ZGMRGWULKSFOCY-CYBMUJFWSA-N 0 3 391.443 0.535 20 0 GCADHN COCCOc1ncccc1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737014404 598523030 /nfs/dbraw/zinc/52/30/30/598523030.db2.gz OTBZXWDZICAFGL-LBPRGKRZSA-N 0 3 385.432 0.315 20 0 GCADHN COCCOc1ncccc1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737014404 598523031 /nfs/dbraw/zinc/52/30/31/598523031.db2.gz OTBZXWDZICAFGL-LBPRGKRZSA-N 0 3 385.432 0.315 20 0 GCADHN CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736762713 598524557 /nfs/dbraw/zinc/52/45/57/598524557.db2.gz JVRSJCIWCNKKIR-JKSUJKDBSA-N 0 3 381.488 0.867 20 0 GCADHN CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736762713 598524558 /nfs/dbraw/zinc/52/45/58/598524558.db2.gz JVRSJCIWCNKKIR-JKSUJKDBSA-N 0 3 381.488 0.867 20 0 GCADHN COCCOc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737013868 598525054 /nfs/dbraw/zinc/52/50/54/598525054.db2.gz MHMUKGXFDXRFSQ-CYBMUJFWSA-N 0 3 384.444 0.920 20 0 GCADHN COCCOc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737013868 598525056 /nfs/dbraw/zinc/52/50/56/598525056.db2.gz MHMUKGXFDXRFSQ-CYBMUJFWSA-N 0 3 384.444 0.920 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CCOc1ccc3c(c1)OCO3)C2 ZINC000738421179 598525779 /nfs/dbraw/zinc/52/57/79/598525779.db2.gz PWXCJEBJUWZIER-LLVKDONJSA-N 0 3 384.400 0.502 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CCOc1ccc3c(c1)OCO3)C2 ZINC000738421179 598525780 /nfs/dbraw/zinc/52/57/80/598525780.db2.gz PWXCJEBJUWZIER-LLVKDONJSA-N 0 3 384.400 0.502 20 0 GCADHN Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737390989 598526482 /nfs/dbraw/zinc/52/64/82/598526482.db2.gz VPTSYFQWGJGPFK-LSDHHAIUSA-N 0 3 398.471 0.751 20 0 GCADHN Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737390989 598526483 /nfs/dbraw/zinc/52/64/83/598526483.db2.gz VPTSYFQWGJGPFK-LSDHHAIUSA-N 0 3 398.471 0.751 20 0 GCADHN O=C(C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCCc2ccccc21 ZINC000737894718 598526958 /nfs/dbraw/zinc/52/69/58/598526958.db2.gz JKNXVKFLLFSUIB-CYBMUJFWSA-N 0 3 393.455 0.674 20 0 GCADHN CN(CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)OC(C)(C)C ZINC000736801545 598529009 /nfs/dbraw/zinc/52/90/09/598529009.db2.gz YDQTZGKQJSKOBQ-NSHDSACASA-N 0 3 377.453 0.561 20 0 GCADHN CN(CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(=O)OC(C)(C)C ZINC000736801545 598529011 /nfs/dbraw/zinc/52/90/11/598529011.db2.gz YDQTZGKQJSKOBQ-NSHDSACASA-N 0 3 377.453 0.561 20 0 GCADHN CN(CC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)OC(C)(C)C ZINC000736801543 598529035 /nfs/dbraw/zinc/52/90/35/598529035.db2.gz YDQTZGKQJSKOBQ-LLVKDONJSA-N 0 3 377.453 0.561 20 0 GCADHN CN(CC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(=O)OC(C)(C)C ZINC000736801543 598529037 /nfs/dbraw/zinc/52/90/37/598529037.db2.gz YDQTZGKQJSKOBQ-LLVKDONJSA-N 0 3 377.453 0.561 20 0 GCADHN CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000735942027 598530165 /nfs/dbraw/zinc/53/01/65/598530165.db2.gz AUVQYPQBQWVUFM-NWDGAFQWSA-N 0 3 383.464 0.424 20 0 GCADHN CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000735942027 598530167 /nfs/dbraw/zinc/53/01/67/598530167.db2.gz AUVQYPQBQWVUFM-NWDGAFQWSA-N 0 3 383.464 0.424 20 0 GCADHN CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000735942029 598530223 /nfs/dbraw/zinc/53/02/23/598530223.db2.gz AUVQYPQBQWVUFM-VXGBXAGGSA-N 0 3 383.464 0.424 20 0 GCADHN CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000735942029 598530225 /nfs/dbraw/zinc/53/02/25/598530225.db2.gz AUVQYPQBQWVUFM-VXGBXAGGSA-N 0 3 383.464 0.424 20 0 GCADHN c1cc2c(s1)CCN(CC[NH2+]C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000738420747 598532463 /nfs/dbraw/zinc/53/24/63/598532463.db2.gz JZMUYBHOVWLXPE-GFCCVEGCSA-N 0 3 385.501 0.814 20 0 GCADHN c1cc2c(s1)CCN(CC[NH2+]C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000738420747 598532465 /nfs/dbraw/zinc/53/24/65/598532465.db2.gz JZMUYBHOVWLXPE-GFCCVEGCSA-N 0 3 385.501 0.814 20 0 GCADHN O=C1CCCN1[C@@H]1CCCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000738302305 598708809 /nfs/dbraw/zinc/70/88/09/598708809.db2.gz ISTFXLBZCBQQFA-HZPDHXFCSA-N 0 3 386.456 0.693 20 0 GCADHN O=C1CCCN1C[C@H](O)C[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738301935 598728408 /nfs/dbraw/zinc/72/84/08/598728408.db2.gz GNBRZORPFZTHDR-OAHLLOKOSA-N 0 3 385.472 0.362 20 0 GCADHN O=C1CCCN1C[C@H](O)C[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738301935 598728409 /nfs/dbraw/zinc/72/84/09/598728409.db2.gz GNBRZORPFZTHDR-OAHLLOKOSA-N 0 3 385.472 0.362 20 0 GCADHN CC[NH+](CC)CC(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736534812 598755791 /nfs/dbraw/zinc/75/57/91/598755791.db2.gz RNNZUNYSRWIMOO-UHFFFAOYSA-N 0 3 384.897 0.967 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736861094 598759462 /nfs/dbraw/zinc/75/94/62/598759462.db2.gz YIUWNCVHPDUFQJ-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736861094 598759464 /nfs/dbraw/zinc/75/94/64/598759464.db2.gz YIUWNCVHPDUFQJ-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736861094 598759466 /nfs/dbraw/zinc/75/94/66/598759466.db2.gz YIUWNCVHPDUFQJ-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736861094 598759468 /nfs/dbraw/zinc/75/94/68/598759468.db2.gz YIUWNCVHPDUFQJ-HUUCEWRRSA-N 0 3 385.476 0.942 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737844290 598761347 /nfs/dbraw/zinc/76/13/47/598761347.db2.gz ROOPPGPTVPCSKE-CYBMUJFWSA-N 0 3 384.444 0.685 20 0 GCADHN O=C(CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737844290 598761349 /nfs/dbraw/zinc/76/13/49/598761349.db2.gz ROOPPGPTVPCSKE-CYBMUJFWSA-N 0 3 384.444 0.685 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737844290 598761351 /nfs/dbraw/zinc/76/13/51/598761351.db2.gz ROOPPGPTVPCSKE-CYBMUJFWSA-N 0 3 384.444 0.685 20 0 GCADHN O=C(CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737844290 598761353 /nfs/dbraw/zinc/76/13/53/598761353.db2.gz ROOPPGPTVPCSKE-CYBMUJFWSA-N 0 3 384.444 0.685 20 0 GCADHN CNC(=O)CC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736871382 598763362 /nfs/dbraw/zinc/76/33/62/598763362.db2.gz RJYBJJRXWNUAIZ-UHFFFAOYSA-N 0 3 377.474 0.813 20 0 GCADHN CNC(=O)CC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736871382 598763363 /nfs/dbraw/zinc/76/33/63/598763363.db2.gz RJYBJJRXWNUAIZ-UHFFFAOYSA-N 0 3 377.474 0.813 20 0 GCADHN CNC(=O)CC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736871382 598763364 /nfs/dbraw/zinc/76/33/64/598763364.db2.gz RJYBJJRXWNUAIZ-UHFFFAOYSA-N 0 3 377.474 0.813 20 0 GCADHN CNC(=O)CC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736871382 598763365 /nfs/dbraw/zinc/76/33/65/598763365.db2.gz RJYBJJRXWNUAIZ-UHFFFAOYSA-N 0 3 377.474 0.813 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1c1ccccc1F ZINC000738294967 598778640 /nfs/dbraw/zinc/77/86/40/598778640.db2.gz GRLTXGPAQNLFIT-FZMZJTMJSA-N 0 3 397.418 0.639 20 0 GCADHN O=C1[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1c1ccccc1F ZINC000738294964 598778894 /nfs/dbraw/zinc/77/88/94/598778894.db2.gz GRLTXGPAQNLFIT-BXUZGUMPSA-N 0 3 397.418 0.639 20 0 GCADHN O=C(CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737843287 598781726 /nfs/dbraw/zinc/78/17/26/598781726.db2.gz KBGOFDRSQPWKHT-UONOGXRCSA-N 0 3 391.501 0.788 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[C@@H]1[NH+](C)C ZINC000736290405 599297731 /nfs/dbraw/zinc/29/77/31/599297731.db2.gz IZIVCKKBNMUKQM-NHYWBVRUSA-N 0 3 381.444 0.657 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C[C@@H]1[NH+](C)C ZINC000736290405 599297733 /nfs/dbraw/zinc/29/77/33/599297733.db2.gz IZIVCKKBNMUKQM-NHYWBVRUSA-N 0 3 381.444 0.657 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](CCOc3ccccc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000735465774 599297766 /nfs/dbraw/zinc/29/77/66/599297766.db2.gz NJFJVUBNQZSHOI-MAUKXSAKSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](CCOc3ccccc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000735465774 599297768 /nfs/dbraw/zinc/29/77/68/599297768.db2.gz NJFJVUBNQZSHOI-MAUKXSAKSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](CCOc3ccccc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000735465774 599297770 /nfs/dbraw/zinc/29/77/70/599297770.db2.gz NJFJVUBNQZSHOI-MAUKXSAKSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](CCOc3ccccc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000735465774 599297772 /nfs/dbraw/zinc/29/77/72/599297772.db2.gz NJFJVUBNQZSHOI-MAUKXSAKSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@@H+](CCOc3ccc(-c4nn[n-]n4)cc3)C[C@H]2C)CC1 ZINC000735465208 599298373 /nfs/dbraw/zinc/29/83/73/599298373.db2.gz HDKFDGKTCWCOJL-BEFAXECRSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@H]2C[N@H+](CCOc3ccc(-c4nn[n-]n4)cc3)C[C@H]2C)CC1 ZINC000735465208 599298374 /nfs/dbraw/zinc/29/83/74/599298374.db2.gz HDKFDGKTCWCOJL-BEFAXECRSA-N 0 3 399.499 0.730 20 0 GCADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736409591 599300592 /nfs/dbraw/zinc/30/05/92/599300592.db2.gz MINMAGAYRZVYMR-ZENOOKHLSA-N 0 3 399.503 0.732 20 0 GCADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736409591 599300595 /nfs/dbraw/zinc/30/05/95/599300595.db2.gz MINMAGAYRZVYMR-ZENOOKHLSA-N 0 3 399.503 0.732 20 0 GCADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736409582 599301216 /nfs/dbraw/zinc/30/12/16/599301216.db2.gz MINMAGAYRZVYMR-IOASZLSFSA-N 0 3 399.503 0.732 20 0 GCADHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736409582 599301217 /nfs/dbraw/zinc/30/12/17/599301217.db2.gz MINMAGAYRZVYMR-IOASZLSFSA-N 0 3 399.503 0.732 20 0 GCADHN CCCNC(=O)CN1CCC([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000821114020 599403259 /nfs/dbraw/zinc/40/32/59/599403259.db2.gz IXYPEKVGUGZIDH-UHFFFAOYSA-N 0 3 387.488 0.956 20 0 GCADHN CCCNC(=O)CN1CCC([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000821114020 599403260 /nfs/dbraw/zinc/40/32/60/599403260.db2.gz IXYPEKVGUGZIDH-UHFFFAOYSA-N 0 3 387.488 0.956 20 0 GCADHN COc1ccc(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)cc1-c1nnn[n-]1 ZINC000821813462 599422199 /nfs/dbraw/zinc/42/21/99/599422199.db2.gz HTCRJNNSNGZZFK-MRXNPFEDSA-N 0 3 387.488 0.908 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1-c1nnn[n-]1 ZINC000821804058 599439501 /nfs/dbraw/zinc/43/95/01/599439501.db2.gz JHSCDHDBGDKYCK-INIZCTEOSA-N 0 3 387.488 0.371 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000821804058 599439505 /nfs/dbraw/zinc/43/95/05/599439505.db2.gz JHSCDHDBGDKYCK-INIZCTEOSA-N 0 3 387.488 0.371 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1-c1nnn[n-]1 ZINC000821804059 599439770 /nfs/dbraw/zinc/43/97/70/599439770.db2.gz JHSCDHDBGDKYCK-MRXNPFEDSA-N 0 3 387.488 0.371 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000821804059 599439772 /nfs/dbraw/zinc/43/97/72/599439772.db2.gz JHSCDHDBGDKYCK-MRXNPFEDSA-N 0 3 387.488 0.371 20 0 GCADHN Cc1ccc(N2CC[C@@H]([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)cc1 ZINC000822241025 599448353 /nfs/dbraw/zinc/44/83/53/599448353.db2.gz JBGAZCJXEDWPKF-XJKSGUPXSA-N 0 3 393.455 0.808 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895852 599481934 /nfs/dbraw/zinc/48/19/34/599481934.db2.gz ZJVZSQMNVHFRKG-UHFFFAOYSA-N 0 3 391.501 0.826 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895852 599481936 /nfs/dbraw/zinc/48/19/36/599481936.db2.gz ZJVZSQMNVHFRKG-UHFFFAOYSA-N 0 3 391.501 0.826 20 0 GCADHN CCN(CCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12)S(C)(=O)=O ZINC000736538624 599486806 /nfs/dbraw/zinc/48/68/06/599486806.db2.gz ZEZDPXGVWQFBFZ-UHFFFAOYSA-N 0 3 378.462 0.276 20 0 GCADHN CCN(CCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12)S(C)(=O)=O ZINC000736538624 599486808 /nfs/dbraw/zinc/48/68/08/599486808.db2.gz ZEZDPXGVWQFBFZ-UHFFFAOYSA-N 0 3 378.462 0.276 20 0 GCADHN C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736848418 599511143 /nfs/dbraw/zinc/51/11/43/599511143.db2.gz MKJSAVLICMZMIW-SECBINFHSA-N 0 3 395.370 0.475 20 0 GCADHN C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736848418 599511145 /nfs/dbraw/zinc/51/11/45/599511145.db2.gz MKJSAVLICMZMIW-SECBINFHSA-N 0 3 395.370 0.475 20 0 GCADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738077162 599512025 /nfs/dbraw/zinc/51/20/25/599512025.db2.gz ANRLTFGJNWWIDH-UHFFFAOYSA-N 0 3 386.803 0.504 20 0 GCADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738077162 599512027 /nfs/dbraw/zinc/51/20/27/599512027.db2.gz ANRLTFGJNWWIDH-UHFFFAOYSA-N 0 3 386.803 0.504 20 0 GCADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738078550 599512067 /nfs/dbraw/zinc/51/20/67/599512067.db2.gz RVVBUAWQYWPAEU-UHFFFAOYSA-N 0 3 386.803 0.504 20 0 GCADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738078550 599512070 /nfs/dbraw/zinc/51/20/70/599512070.db2.gz RVVBUAWQYWPAEU-UHFFFAOYSA-N 0 3 386.803 0.504 20 0 GCADHN C[NH+](C)C[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C1 ZINC000736759473 599581001 /nfs/dbraw/zinc/58/10/01/599581001.db2.gz RVDDIUCPBWLHPZ-YJYMSZOUSA-N 0 3 398.471 0.475 20 0 GCADHN C[NH+](C)C[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736759473 599581003 /nfs/dbraw/zinc/58/10/03/599581003.db2.gz RVDDIUCPBWLHPZ-YJYMSZOUSA-N 0 3 398.471 0.475 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1-c1nn[n-]n1 ZINC000822319596 599608226 /nfs/dbraw/zinc/60/82/26/599608226.db2.gz UJASBNZYBSPQLK-OLZOCXBDSA-N 0 3 385.428 0.093 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1-c1nn[n-]n1 ZINC000822319596 599608228 /nfs/dbraw/zinc/60/82/28/599608228.db2.gz UJASBNZYBSPQLK-OLZOCXBDSA-N 0 3 385.428 0.093 20 0 GCADHN O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823359183 599613534 /nfs/dbraw/zinc/61/35/34/599613534.db2.gz JUFFICZXMOFAND-INIZCTEOSA-N 0 3 399.455 0.565 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822964086 599643059 /nfs/dbraw/zinc/64/30/59/599643059.db2.gz CPQIUQWICKELBQ-KRWDZBQOSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822964086 599643060 /nfs/dbraw/zinc/64/30/60/599643060.db2.gz CPQIUQWICKELBQ-KRWDZBQOSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822964086 599643061 /nfs/dbraw/zinc/64/30/61/599643061.db2.gz CPQIUQWICKELBQ-KRWDZBQOSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822964086 599643062 /nfs/dbraw/zinc/64/30/62/599643062.db2.gz CPQIUQWICKELBQ-KRWDZBQOSA-N 0 3 385.472 0.992 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000821267331 599675671 /nfs/dbraw/zinc/67/56/71/599675671.db2.gz MNNKQGLDYGJPKR-OAHLLOKOSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000821267331 599675672 /nfs/dbraw/zinc/67/56/72/599675672.db2.gz MNNKQGLDYGJPKR-OAHLLOKOSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000821267331 599675673 /nfs/dbraw/zinc/67/56/73/599675673.db2.gz MNNKQGLDYGJPKR-OAHLLOKOSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000821267331 599675674 /nfs/dbraw/zinc/67/56/74/599675674.db2.gz MNNKQGLDYGJPKR-OAHLLOKOSA-N 0 3 385.476 0.578 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821655796 607443186 /nfs/dbraw/zinc/44/31/86/607443186.db2.gz RSOVLHKNUIIDNH-JURCDPSOSA-N 0 3 386.460 0.911 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821655796 607443188 /nfs/dbraw/zinc/44/31/88/607443188.db2.gz RSOVLHKNUIIDNH-JURCDPSOSA-N 0 3 386.460 0.911 20 0 GCADHN Cc1cnc(CN(C)[C@@H]2CC[N@H+](C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)o1 ZINC000822388917 607444913 /nfs/dbraw/zinc/44/49/13/607444913.db2.gz GEPLQLDVHPXGKH-ZIAGYGMSSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@@H]2CC[N@@H+](C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)o1 ZINC000822388917 607444915 /nfs/dbraw/zinc/44/49/15/607444915.db2.gz GEPLQLDVHPXGKH-ZIAGYGMSSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@@H]2CC[N@H+](C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)o1 ZINC000822388917 607444917 /nfs/dbraw/zinc/44/49/17/607444917.db2.gz GEPLQLDVHPXGKH-ZIAGYGMSSA-N 0 3 398.475 0.608 20 0 GCADHN Cc1cnc(CN(C)[C@@H]2CC[N@@H+](C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)o1 ZINC000822388917 607444919 /nfs/dbraw/zinc/44/49/19/607444919.db2.gz GEPLQLDVHPXGKH-ZIAGYGMSSA-N 0 3 398.475 0.608 20 0 GCADHN CC(C)(C)CNC(=O)C(C)(C)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000819914544 607495423 /nfs/dbraw/zinc/49/54/23/607495423.db2.gz WFJFDJDHWAXNEU-NSHDSACASA-N 0 3 375.481 0.635 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1-c1nnn[n-]1 ZINC000826194727 607513189 /nfs/dbraw/zinc/51/31/89/607513189.db2.gz UOSBWQJAPBSASG-KPZWWZAWSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1-c1nnn[n-]1 ZINC000826194727 607513191 /nfs/dbraw/zinc/51/31/91/607513191.db2.gz UOSBWQJAPBSASG-KPZWWZAWSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1-c1nn[n-]n1 ZINC000826194727 607513193 /nfs/dbraw/zinc/51/31/93/607513193.db2.gz UOSBWQJAPBSASG-KPZWWZAWSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[N@H+]2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1-c1nn[n-]n1 ZINC000826194727 607513195 /nfs/dbraw/zinc/51/31/95/607513195.db2.gz UOSBWQJAPBSASG-KPZWWZAWSA-N 0 3 385.428 0.685 20 0 GCADHN COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000826111638 607525587 /nfs/dbraw/zinc/52/55/87/607525587.db2.gz IVNNXBSSQBICOL-INIZCTEOSA-N 0 3 388.428 0.441 20 0 GCADHN COC(=O)[C@@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000826111638 607525589 /nfs/dbraw/zinc/52/55/89/607525589.db2.gz IVNNXBSSQBICOL-INIZCTEOSA-N 0 3 388.428 0.441 20 0 GCADHN COC(=O)[C@H](O)C1CC[NH+](CCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000826111770 607526073 /nfs/dbraw/zinc/52/60/73/607526073.db2.gz LVGSJHJSMRIVFE-CYBMUJFWSA-N 0 3 394.457 0.503 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825855913 607556076 /nfs/dbraw/zinc/55/60/76/607556076.db2.gz LZOAZQQTDLWXCR-FVQBIDKESA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825855913 607556078 /nfs/dbraw/zinc/55/60/78/607556078.db2.gz LZOAZQQTDLWXCR-FVQBIDKESA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825849794 607614997 /nfs/dbraw/zinc/61/49/97/607614997.db2.gz MSSIAYYDCJPXPT-KMFMINBZSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825849794 607614999 /nfs/dbraw/zinc/61/49/99/607614999.db2.gz MSSIAYYDCJPXPT-KMFMINBZSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000825850309 607615128 /nfs/dbraw/zinc/61/51/28/607615128.db2.gz OWAWAIDPTJLXIS-HYVNUMGLSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000825850309 607615129 /nfs/dbraw/zinc/61/51/29/607615129.db2.gz OWAWAIDPTJLXIS-HYVNUMGLSA-N 0 3 386.456 0.956 20 0 GCADHN C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC000825860295 607618338 /nfs/dbraw/zinc/61/83/38/607618338.db2.gz PBFQZXQPBMHDJK-JTQLQIEISA-N 0 3 386.865 0.471 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000825848414 607633734 /nfs/dbraw/zinc/63/37/34/607633734.db2.gz COBRPFCOCLACOL-IKGGRYGDSA-N 0 3 385.472 0.989 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1-c1nnn[n-]1 ZINC000826491150 607634252 /nfs/dbraw/zinc/63/42/52/607634252.db2.gz WCRPIAJKNGEWAR-CYBMUJFWSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1-c1nnn[n-]1 ZINC000826491150 607634254 /nfs/dbraw/zinc/63/42/54/607634254.db2.gz WCRPIAJKNGEWAR-CYBMUJFWSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1-c1nn[n-]n1 ZINC000826491150 607634256 /nfs/dbraw/zinc/63/42/56/607634256.db2.gz WCRPIAJKNGEWAR-CYBMUJFWSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1-c1nn[n-]n1 ZINC000826491150 607634258 /nfs/dbraw/zinc/63/42/58/607634258.db2.gz WCRPIAJKNGEWAR-CYBMUJFWSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1-c1nnn[n-]1 ZINC000826491151 607634369 /nfs/dbraw/zinc/63/43/69/607634369.db2.gz WCRPIAJKNGEWAR-ZDUSSCGKSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1-c1nnn[n-]1 ZINC000826491151 607634370 /nfs/dbraw/zinc/63/43/70/607634370.db2.gz WCRPIAJKNGEWAR-ZDUSSCGKSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1-c1nn[n-]n1 ZINC000826491151 607634373 /nfs/dbraw/zinc/63/43/73/607634373.db2.gz WCRPIAJKNGEWAR-ZDUSSCGKSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1-c1nn[n-]n1 ZINC000826491151 607634375 /nfs/dbraw/zinc/63/43/75/607634375.db2.gz WCRPIAJKNGEWAR-ZDUSSCGKSA-N 0 3 380.474 0.382 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825577119 607667928 /nfs/dbraw/zinc/66/79/28/607667928.db2.gz TVCBLKGVQGIMHZ-ZDUSSCGKSA-N 0 3 382.490 0.810 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825577119 607667929 /nfs/dbraw/zinc/66/79/29/607667929.db2.gz TVCBLKGVQGIMHZ-ZDUSSCGKSA-N 0 3 382.490 0.810 20 0 GCADHN CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000824207146 607776365 /nfs/dbraw/zinc/77/63/65/607776365.db2.gz QLCFEDXMKPYHSP-CRAIPNDOSA-N 0 3 376.461 0.699 20 0 GCADHN CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000824207146 607776366 /nfs/dbraw/zinc/77/63/66/607776366.db2.gz QLCFEDXMKPYHSP-CRAIPNDOSA-N 0 3 376.461 0.699 20 0 GCADHN COc1cc(NCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc(OC)c1 ZINC000826180374 607751752 /nfs/dbraw/zinc/75/17/52/607751752.db2.gz DZFJVZXIGKELIN-GFCCVEGCSA-N 0 3 399.459 0.824 20 0 GCADHN COc1cc(NCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc(OC)c1 ZINC000826180374 607751753 /nfs/dbraw/zinc/75/17/53/607751753.db2.gz DZFJVZXIGKELIN-GFCCVEGCSA-N 0 3 399.459 0.824 20 0 GCADHN CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821095163 606120126 /nfs/dbraw/zinc/12/01/26/606120126.db2.gz ZRMMJZZOUSWIIA-UHFFFAOYSA-N 0 3 375.433 0.662 20 0 GCADHN CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821095163 606120127 /nfs/dbraw/zinc/12/01/27/606120127.db2.gz ZRMMJZZOUSWIIA-UHFFFAOYSA-N 0 3 375.433 0.662 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(C2CCOCC2)CC1 ZINC000821650818 606178650 /nfs/dbraw/zinc/17/86/50/606178650.db2.gz ZHSKTQCMRZREGR-KRWDZBQOSA-N 0 3 386.456 0.877 20 0 GCADHN CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)[C@@H](C)C1 ZINC000819789618 606308982 /nfs/dbraw/zinc/30/89/82/606308982.db2.gz VVNMBQDQJAIJQY-LEWSCRJBSA-N 0 3 389.485 0.880 20 0 GCADHN COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000821652681 606333095 /nfs/dbraw/zinc/33/30/95/606333095.db2.gz XVQUQEXMCIGFDJ-WMLDXEAASA-N 0 3 386.456 0.735 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820760338 606333460 /nfs/dbraw/zinc/33/34/60/606333460.db2.gz QDHLQSBKGATJEM-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820760338 606333461 /nfs/dbraw/zinc/33/34/61/606333461.db2.gz QDHLQSBKGATJEM-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820760338 606333463 /nfs/dbraw/zinc/33/34/63/606333463.db2.gz QDHLQSBKGATJEM-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820760338 606333466 /nfs/dbraw/zinc/33/34/66/606333466.db2.gz QDHLQSBKGATJEM-WMLDXEAASA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000820752889 606333571 /nfs/dbraw/zinc/33/35/71/606333571.db2.gz TXGVDBZUXCWIOH-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000820752889 606333572 /nfs/dbraw/zinc/33/35/72/606333572.db2.gz TXGVDBZUXCWIOH-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820752889 606333573 /nfs/dbraw/zinc/33/35/73/606333573.db2.gz TXGVDBZUXCWIOH-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820752889 606333574 /nfs/dbraw/zinc/33/35/74/606333574.db2.gz TXGVDBZUXCWIOH-YOEHRIQHSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820760332 606333593 /nfs/dbraw/zinc/33/35/93/606333593.db2.gz QDHLQSBKGATJEM-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820760332 606333594 /nfs/dbraw/zinc/33/35/94/606333594.db2.gz QDHLQSBKGATJEM-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000820760332 606333595 /nfs/dbraw/zinc/33/35/95/606333595.db2.gz QDHLQSBKGATJEM-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000820760332 606333596 /nfs/dbraw/zinc/33/35/96/606333596.db2.gz QDHLQSBKGATJEM-PBHICJAKSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820753655 606333834 /nfs/dbraw/zinc/33/38/34/606333834.db2.gz ZXVBDTMPEXEMAJ-KYJSFNMBSA-N 0 3 388.472 0.259 20 0 GCADHN C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820753655 606333836 /nfs/dbraw/zinc/33/38/36/606333836.db2.gz ZXVBDTMPEXEMAJ-KYJSFNMBSA-N 0 3 388.472 0.259 20 0 GCADHN C[N@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821600464 606336442 /nfs/dbraw/zinc/33/64/42/606336442.db2.gz NMIVHGKNQPDROA-MRXNPFEDSA-N 0 3 376.461 0.261 20 0 GCADHN C[N@@H+](CCCOc1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000821600464 606336444 /nfs/dbraw/zinc/33/64/44/606336444.db2.gz NMIVHGKNQPDROA-MRXNPFEDSA-N 0 3 376.461 0.261 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000822223661 606405146 /nfs/dbraw/zinc/40/51/46/606405146.db2.gz GECDKKXRDFKWEO-UHFFFAOYSA-N 0 3 393.517 0.479 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000822223661 606405148 /nfs/dbraw/zinc/40/51/48/606405148.db2.gz GECDKKXRDFKWEO-UHFFFAOYSA-N 0 3 393.517 0.479 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821581743 606405463 /nfs/dbraw/zinc/40/54/63/606405463.db2.gz UNDXSIORUQIGQT-NWDGAFQWSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821581743 606405464 /nfs/dbraw/zinc/40/54/64/606405464.db2.gz UNDXSIORUQIGQT-NWDGAFQWSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821581744 606405511 /nfs/dbraw/zinc/40/55/11/606405511.db2.gz UNDXSIORUQIGQT-RYUDHWBXSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821581744 606405513 /nfs/dbraw/zinc/40/55/13/606405513.db2.gz UNDXSIORUQIGQT-RYUDHWBXSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000821587415 606538908 /nfs/dbraw/zinc/53/89/08/606538908.db2.gz WILDPFHFJKDOCM-UHFFFAOYSA-N 0 3 377.474 0.458 20 0 GCADHN C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000821587415 606538910 /nfs/dbraw/zinc/53/89/10/606538910.db2.gz WILDPFHFJKDOCM-UHFFFAOYSA-N 0 3 377.474 0.458 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000821400352 606609806 /nfs/dbraw/zinc/60/98/06/606609806.db2.gz HZBGBSIKRFPQQX-CYBMUJFWSA-N 0 3 387.444 0.757 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821352140 606634499 /nfs/dbraw/zinc/63/44/99/606634499.db2.gz XTFHLTPZSUAKFR-HNNXBMFYSA-N 0 3 382.490 0.643 20 0 GCADHN O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000823460193 606664043 /nfs/dbraw/zinc/66/40/43/606664043.db2.gz JRWRNYBWUXQYNN-UHFFFAOYSA-N 0 3 391.426 0.999 20 0 GCADHN O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000823460193 606664044 /nfs/dbraw/zinc/66/40/44/606664044.db2.gz JRWRNYBWUXQYNN-UHFFFAOYSA-N 0 3 391.426 0.999 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821240944 606668615 /nfs/dbraw/zinc/66/86/15/606668615.db2.gz KCSLLNHQWIBFQS-CJNGLKHVSA-N 0 3 399.503 0.870 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821240944 606668616 /nfs/dbraw/zinc/66/86/16/606668616.db2.gz KCSLLNHQWIBFQS-CJNGLKHVSA-N 0 3 399.503 0.870 20 0 GCADHN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000821239443 606694841 /nfs/dbraw/zinc/69/48/41/606694841.db2.gz BLGGVHNVMWCQBX-XHDPSFHLSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000821239443 606694842 /nfs/dbraw/zinc/69/48/42/606694842.db2.gz BLGGVHNVMWCQBX-XHDPSFHLSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000821239443 606694843 /nfs/dbraw/zinc/69/48/43/606694843.db2.gz BLGGVHNVMWCQBX-XHDPSFHLSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000821239443 606694844 /nfs/dbraw/zinc/69/48/44/606694844.db2.gz BLGGVHNVMWCQBX-XHDPSFHLSA-N 0 3 381.444 0.705 20 0 GCADHN C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819856373 606699080 /nfs/dbraw/zinc/69/90/80/606699080.db2.gz JMROAMWJNXNAQV-NSHDSACASA-N 0 3 375.481 0.874 20 0 GCADHN C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819856373 606699082 /nfs/dbraw/zinc/69/90/82/606699082.db2.gz JMROAMWJNXNAQV-NSHDSACASA-N 0 3 375.481 0.874 20 0 GCADHN Fc1cccnc1N1CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000822796270 606734163 /nfs/dbraw/zinc/73/41/63/606734163.db2.gz ONBMVKFKQYSPFJ-NWDGAFQWSA-N 0 3 384.423 0.508 20 0 GCADHN Fc1cccnc1N1CC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000822796270 606734164 /nfs/dbraw/zinc/73/41/64/606734164.db2.gz ONBMVKFKQYSPFJ-NWDGAFQWSA-N 0 3 384.423 0.508 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000821582893 606739828 /nfs/dbraw/zinc/73/98/28/606739828.db2.gz BCOLJMAIRNIFCU-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000821582893 606739829 /nfs/dbraw/zinc/73/98/29/606739829.db2.gz BCOLJMAIRNIFCU-JTQLQIEISA-N 0 3 377.836 0.869 20 0 GCADHN C[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C[C@H]1[NH+](C)C ZINC000820760949 606769076 /nfs/dbraw/zinc/76/90/76/606769076.db2.gz UNDIKDZNCNEXST-KPAZRMRSSA-N 0 3 398.471 0.473 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000820752970 606810492 /nfs/dbraw/zinc/81/04/92/606810492.db2.gz VCAPCJRNKYBQOM-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000820752970 606810493 /nfs/dbraw/zinc/81/04/93/606810493.db2.gz VCAPCJRNKYBQOM-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000820752970 606810494 /nfs/dbraw/zinc/81/04/94/606810494.db2.gz VCAPCJRNKYBQOM-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000820752970 606810495 /nfs/dbraw/zinc/81/04/95/606810495.db2.gz VCAPCJRNKYBQOM-GDBMZVCRSA-N 0 3 399.503 0.822 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000822216588 606819067 /nfs/dbraw/zinc/81/90/67/606819067.db2.gz TWUNZNCTFFSTGA-UHFFFAOYSA-N 0 3 383.416 0.510 20 0 GCADHN O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000823009495 606820832 /nfs/dbraw/zinc/82/08/32/606820832.db2.gz KUNFVCZQCFZDEI-KRWDZBQOSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(COc1ccccc1-c1nnn[n-]1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000823049748 606821572 /nfs/dbraw/zinc/82/15/72/606821572.db2.gz JYBUTBNEXHECID-OAHLLOKOSA-N 0 3 386.456 0.959 20 0 GCADHN O=C(COc1ccccc1-c1nn[n-]n1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000823049748 606821573 /nfs/dbraw/zinc/82/15/73/606821573.db2.gz JYBUTBNEXHECID-OAHLLOKOSA-N 0 3 386.456 0.959 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C[C@@H]1[NH+](C)C ZINC000820734340 606837381 /nfs/dbraw/zinc/83/73/81/606837381.db2.gz LUSDKPJWSVWGQF-ZANVPECISA-N 0 3 377.836 0.867 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C[C@@H]1[NH+](C)C ZINC000820734340 606837384 /nfs/dbraw/zinc/83/73/84/606837384.db2.gz LUSDKPJWSVWGQF-ZANVPECISA-N 0 3 377.836 0.867 20 0 GCADHN CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000820750376 606838374 /nfs/dbraw/zinc/83/83/74/606838374.db2.gz BDRIZLJCSXDKQN-HZMBPMFUSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000820750376 606838375 /nfs/dbraw/zinc/83/83/75/606838375.db2.gz BDRIZLJCSXDKQN-HZMBPMFUSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000820750376 606838376 /nfs/dbraw/zinc/83/83/76/606838376.db2.gz BDRIZLJCSXDKQN-HZMBPMFUSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000820750376 606838377 /nfs/dbraw/zinc/83/83/77/606838377.db2.gz BDRIZLJCSXDKQN-HZMBPMFUSA-N 0 3 375.408 0.789 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000821755328 606884596 /nfs/dbraw/zinc/88/45/96/606884596.db2.gz DXZOEOJVKREYCY-HZMBPMFUSA-N 0 3 385.428 0.413 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000821400222 606884860 /nfs/dbraw/zinc/88/48/60/606884860.db2.gz HJRMGWQUVRUHKO-NHYWBVRUSA-N 0 3 399.455 0.803 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000821755332 606884911 /nfs/dbraw/zinc/88/49/11/606884911.db2.gz DXZOEOJVKREYCY-YGRLFVJLSA-N 0 3 385.428 0.413 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821691537 606887978 /nfs/dbraw/zinc/88/79/78/606887978.db2.gz YAYVKKXUZXRMOL-KBRIMQKVSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821691537 606887979 /nfs/dbraw/zinc/88/79/79/606887979.db2.gz YAYVKKXUZXRMOL-KBRIMQKVSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691537 606887980 /nfs/dbraw/zinc/88/79/80/606887980.db2.gz YAYVKKXUZXRMOL-KBRIMQKVSA-N 0 3 388.472 0.763 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691537 606887981 /nfs/dbraw/zinc/88/79/81/606887981.db2.gz YAYVKKXUZXRMOL-KBRIMQKVSA-N 0 3 388.472 0.763 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821937209 606919797 /nfs/dbraw/zinc/91/97/97/606919797.db2.gz KGLRRKYQCQRPMR-IUODEOHRSA-N 0 3 380.474 0.161 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@H]2C)CC1 ZINC000819797015 606975094 /nfs/dbraw/zinc/97/50/94/606975094.db2.gz RNUKBWQVDXCHCQ-FZKQIMNGSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@H]2C)CC1 ZINC000819797015 606975096 /nfs/dbraw/zinc/97/50/96/606975096.db2.gz RNUKBWQVDXCHCQ-FZKQIMNGSA-N 0 3 387.463 0.990 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CC[C@H]1COc3ccccc3O1)C2 ZINC000823801957 607008271 /nfs/dbraw/zinc/00/82/71/607008271.db2.gz DLCJHOSYTOUEMC-STQMWFEESA-N 0 3 382.428 0.925 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CC[C@H]1COc3ccccc3O1)C2 ZINC000823801957 607008272 /nfs/dbraw/zinc/00/82/72/607008272.db2.gz DLCJHOSYTOUEMC-STQMWFEESA-N 0 3 382.428 0.925 20 0 GCADHN O=C1[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1C1CCCCC1 ZINC000823513563 607008467 /nfs/dbraw/zinc/00/84/67/607008467.db2.gz VBWBTISHFMWJAS-IUODEOHRSA-N 0 3 385.476 0.628 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820314408 607179741 /nfs/dbraw/zinc/17/97/41/607179741.db2.gz ILLBJJJJAOTQMI-LBPRGKRZSA-N 0 3 397.443 0.441 20 0 GCADHN C[NH+](C)C[C@](C)(O)CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825856148 607776681 /nfs/dbraw/zinc/77/66/81/607776681.db2.gz PFXXBDMUSSPVFL-GOSISDBHSA-N 0 3 389.460 0.404 20 0 GCADHN C[NH+](C)C[C@](C)(O)CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825856148 607776682 /nfs/dbraw/zinc/77/66/82/607776682.db2.gz PFXXBDMUSSPVFL-GOSISDBHSA-N 0 3 389.460 0.404 20 0 GCADHN CC(C)C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)C(=O)NCC[NH+](C)C ZINC000824276022 607976027 /nfs/dbraw/zinc/97/60/27/607976027.db2.gz WZIIYCYPELBDSZ-ZDUSSCGKSA-N 0 3 376.465 0.028 20 0 GCADHN CC(C)C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)C(=O)NCC[NH+](C)C ZINC000824276022 607976028 /nfs/dbraw/zinc/97/60/28/607976028.db2.gz WZIIYCYPELBDSZ-ZDUSSCGKSA-N 0 3 376.465 0.028 20 0 GCADHN COc1ccc([C@@H](CCO)[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000826188785 608112305 /nfs/dbraw/zinc/11/23/05/608112305.db2.gz GODIXJABUPZNSN-BLLLJJGKSA-N 0 3 384.444 0.827 20 0 GCADHN COc1ccc([C@@H](CCO)[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000826188785 608112306 /nfs/dbraw/zinc/11/23/06/608112306.db2.gz GODIXJABUPZNSN-BLLLJJGKSA-N 0 3 384.444 0.827 20 0 GCADHN CC(=O)NC1CCC([N@H+](C)C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823989274 608131092 /nfs/dbraw/zinc/13/10/92/608131092.db2.gz RUAWEWTZTPFGCJ-JCYILVPMSA-N 0 3 388.472 0.986 20 0 GCADHN CC(=O)NC1CCC([N@@H+](C)C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823989274 608131093 /nfs/dbraw/zinc/13/10/93/608131093.db2.gz RUAWEWTZTPFGCJ-JCYILVPMSA-N 0 3 388.472 0.986 20 0 GCADHN O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826479267 608170242 /nfs/dbraw/zinc/17/02/42/608170242.db2.gz VAYXRZNSZXTDMZ-CVEARBPZSA-N 0 3 383.456 0.474 20 0 GCADHN O=C(C[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826479267 608170244 /nfs/dbraw/zinc/17/02/44/608170244.db2.gz VAYXRZNSZXTDMZ-CVEARBPZSA-N 0 3 383.456 0.474 20 0 GCADHN CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1nc2c(cnn2C)c(=O)[nH]1 ZINC000825866023 608190299 /nfs/dbraw/zinc/19/02/99/608190299.db2.gz PGSQYIVIHJHJLJ-UHFFFAOYSA-N 0 3 394.443 0.817 20 0 GCADHN C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[NH+]1CCCCCC1 ZINC000824039183 608212120 /nfs/dbraw/zinc/21/21/20/608212120.db2.gz CODKTUSGMJOGKX-GFCCVEGCSA-N 0 3 375.481 0.828 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826033565 608223515 /nfs/dbraw/zinc/22/35/15/608223515.db2.gz HDQGCHKVQSMQMK-MRXNPFEDSA-N 0 3 399.503 0.302 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826033565 608223517 /nfs/dbraw/zinc/22/35/17/608223517.db2.gz HDQGCHKVQSMQMK-MRXNPFEDSA-N 0 3 399.503 0.302 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826033565 608223521 /nfs/dbraw/zinc/22/35/21/608223521.db2.gz HDQGCHKVQSMQMK-MRXNPFEDSA-N 0 3 399.503 0.302 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826033565 608223523 /nfs/dbraw/zinc/22/35/23/608223523.db2.gz HDQGCHKVQSMQMK-MRXNPFEDSA-N 0 3 399.503 0.302 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000826168639 608367149 /nfs/dbraw/zinc/36/71/49/608367149.db2.gz UCPPJMUUEPPWLC-RDTXWAMCSA-N 0 3 399.499 0.860 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC000826168639 608367150 /nfs/dbraw/zinc/36/71/50/608367150.db2.gz UCPPJMUUEPPWLC-RDTXWAMCSA-N 0 3 399.499 0.860 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826389860 608453896 /nfs/dbraw/zinc/45/38/96/608453896.db2.gz KGDIMZMDGZXXBI-INIZCTEOSA-N 0 3 398.471 0.219 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826389860 608453897 /nfs/dbraw/zinc/45/38/97/608453897.db2.gz KGDIMZMDGZXXBI-INIZCTEOSA-N 0 3 398.471 0.219 20 0 GCADHN O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC000826497168 608515267 /nfs/dbraw/zinc/51/52/67/608515267.db2.gz WSEJOPSGJKQKRU-OAHLLOKOSA-N 0 3 377.470 0.773 20 0 GCADHN O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC000826497168 608515268 /nfs/dbraw/zinc/51/52/68/608515268.db2.gz WSEJOPSGJKQKRU-OAHLLOKOSA-N 0 3 377.470 0.773 20 0 GCADHN COc1ccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1-c1nnn[n-]1 ZINC000826204692 608568881 /nfs/dbraw/zinc/56/88/81/608568881.db2.gz WBGSEZNIRJVYFR-UHFFFAOYSA-N 0 3 399.459 0.362 20 0 GCADHN COc1ccc(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1-c1nn[n-]n1 ZINC000826204692 608568883 /nfs/dbraw/zinc/56/88/83/608568883.db2.gz WBGSEZNIRJVYFR-UHFFFAOYSA-N 0 3 399.459 0.362 20 0 GCADHN Cn1cc(CN2CCCN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)cn1 ZINC000826360657 608688638 /nfs/dbraw/zinc/68/86/38/608688638.db2.gz SRUCBQHJVBYBKU-UHFFFAOYSA-N 0 3 392.471 0.956 20 0 GCADHN CC[NH+]1CCN(c2ccc(NC(=O)Cn3ccnc3-c3nnn[n-]3)cc2)CC1 ZINC000825466295 608895030 /nfs/dbraw/zinc/89/50/30/608895030.db2.gz YUMIFHSVXPTVEW-UHFFFAOYSA-N 0 3 381.444 0.844 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826033461 609226873 /nfs/dbraw/zinc/22/68/73/609226873.db2.gz DOPPCZGOTGIJIG-MSOLQXFVSA-N 0 3 399.499 0.529 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826033461 609226874 /nfs/dbraw/zinc/22/68/74/609226874.db2.gz DOPPCZGOTGIJIG-MSOLQXFVSA-N 0 3 399.499 0.529 20 0 GCADHN O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431332 609230162 /nfs/dbraw/zinc/23/01/62/609230162.db2.gz YMYFZCVTAWGIJM-SJORKVTESA-N 0 3 386.456 0.660 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825412462 609242416 /nfs/dbraw/zinc/24/24/16/609242416.db2.gz PKPFDCIZJOVHOY-SJORKVTESA-N 0 3 388.472 0.859 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825412462 609242418 /nfs/dbraw/zinc/24/24/18/609242418.db2.gz PKPFDCIZJOVHOY-SJORKVTESA-N 0 3 388.472 0.859 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824705817 609243540 /nfs/dbraw/zinc/24/35/40/609243540.db2.gz FIDNYLGSIAUPAM-DYVFJYSZSA-N 0 3 388.472 0.451 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824705817 609243541 /nfs/dbraw/zinc/24/35/41/609243541.db2.gz FIDNYLGSIAUPAM-DYVFJYSZSA-N 0 3 388.472 0.451 20 0 GCADHN C[C@@H](NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1=CC[N@H+](C)CC1 ZINC000824492444 609316230 /nfs/dbraw/zinc/31/62/30/609316230.db2.gz ZACUSZNPYUTDJW-CQSZACIVSA-N 0 3 397.487 0.744 20 0 GCADHN C[C@@H](NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000824492444 609316232 /nfs/dbraw/zinc/31/62/32/609316232.db2.gz ZACUSZNPYUTDJW-CQSZACIVSA-N 0 3 397.487 0.744 20 0 GCADHN C[C@@H](NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1=CC[N@H+](C)CC1 ZINC000824492444 609316235 /nfs/dbraw/zinc/31/62/35/609316235.db2.gz ZACUSZNPYUTDJW-CQSZACIVSA-N 0 3 397.487 0.744 20 0 GCADHN C[C@@H](NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1=CC[N@@H+](C)CC1 ZINC000824492444 609316237 /nfs/dbraw/zinc/31/62/37/609316237.db2.gz ZACUSZNPYUTDJW-CQSZACIVSA-N 0 3 397.487 0.744 20 0 GCADHN C[C@H](NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1=CC[N@H+](C)CC1 ZINC000824492443 609316530 /nfs/dbraw/zinc/31/65/30/609316530.db2.gz ZACUSZNPYUTDJW-AWEZNQCLSA-N 0 3 397.487 0.744 20 0 GCADHN C[C@H](NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000824492443 609316532 /nfs/dbraw/zinc/31/65/32/609316532.db2.gz ZACUSZNPYUTDJW-AWEZNQCLSA-N 0 3 397.487 0.744 20 0 GCADHN C[C@H](NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1=CC[N@H+](C)CC1 ZINC000824492443 609316534 /nfs/dbraw/zinc/31/65/34/609316534.db2.gz ZACUSZNPYUTDJW-AWEZNQCLSA-N 0 3 397.487 0.744 20 0 GCADHN C[C@H](NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1=CC[N@@H+](C)CC1 ZINC000824492443 609316537 /nfs/dbraw/zinc/31/65/37/609316537.db2.gz ZACUSZNPYUTDJW-AWEZNQCLSA-N 0 3 397.487 0.744 20 0 GCADHN Cn1cc(C[NH2+]CC2(C(N)=O)CCOCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361387 609337602 /nfs/dbraw/zinc/33/76/02/609337602.db2.gz VMBQPYQXTIWOJD-UHFFFAOYSA-N 0 3 396.455 0.639 20 0 GCADHN Cn1cc(C[NH2+]CC2(C(N)=O)CCOCC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361387 609337604 /nfs/dbraw/zinc/33/76/04/609337604.db2.gz VMBQPYQXTIWOJD-UHFFFAOYSA-N 0 3 396.455 0.639 20 0 GCADHN C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825942129 609392875 /nfs/dbraw/zinc/39/28/75/609392875.db2.gz XZOQTNJWVXUBOA-SFHVURJKSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825942129 609392877 /nfs/dbraw/zinc/39/28/77/609392877.db2.gz XZOQTNJWVXUBOA-SFHVURJKSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825942128 609393505 /nfs/dbraw/zinc/39/35/05/609393505.db2.gz XZOQTNJWVXUBOA-GOSISDBHSA-N 0 3 399.499 0.751 20 0 GCADHN C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825942128 609393507 /nfs/dbraw/zinc/39/35/07/609393507.db2.gz XZOQTNJWVXUBOA-GOSISDBHSA-N 0 3 399.499 0.751 20 0 GCADHN Cc1onc(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1-c1nnn[n-]1 ZINC000826348192 609424723 /nfs/dbraw/zinc/42/47/23/609424723.db2.gz ZOOONOLYNXUZRR-OAHLLOKOSA-N 0 3 397.439 0.589 20 0 GCADHN Cc1onc(CC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1-c1nnn[n-]1 ZINC000826348192 609424726 /nfs/dbraw/zinc/42/47/26/609424726.db2.gz ZOOONOLYNXUZRR-OAHLLOKOSA-N 0 3 397.439 0.589 20 0 GCADHN COc1cccc([C@H](CO)NC[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826214326 609426788 /nfs/dbraw/zinc/42/67/88/609426788.db2.gz IDHDCHLMVHIPQK-YJBOKZPZSA-N 0 3 385.424 0.938 20 0 GCADHN CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nccc(C)c3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000823980442 609576079 /nfs/dbraw/zinc/57/60/79/609576079.db2.gz CSALALGCOFIGQD-ZBFHGGJFSA-N 0 3 384.488 0.949 20 0 GCADHN CC(=O)N1CCC[N@H+]([C@H]2CN(c3nccc(C)c3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000823980442 609576082 /nfs/dbraw/zinc/57/60/82/609576082.db2.gz CSALALGCOFIGQD-ZBFHGGJFSA-N 0 3 384.488 0.949 20 0 GCADHN Cn1ncc(S(=O)(=O)N2CCOC3(CCN(C)CC3)C2)c1C(F)(F)F ZINC000867453468 638432449 /nfs/dbraw/zinc/43/24/49/638432449.db2.gz RJKJVAJYNCHJFH-UHFFFAOYSA-N 0 3 382.408 0.924 20 0 GCADHN C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)C[C@H](C)N1 ZINC000843344399 638447918 /nfs/dbraw/zinc/44/79/18/638447918.db2.gz YYTZOTXVNDIFBU-BQBZGAKWSA-N 0 3 382.305 0.980 20 0 GCADHN C[C@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC000893046636 638607823 /nfs/dbraw/zinc/60/78/23/638607823.db2.gz HBUPJUBZYDHBIX-STQMWFEESA-N 0 3 387.937 0.845 20 0 GCADHN COCCN(C)CCNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 ZINC000067273825 638668294 /nfs/dbraw/zinc/66/82/94/638668294.db2.gz IBRVDKMOINPEST-UHFFFAOYSA-N 0 3 375.466 0.820 20 0 GCADHN COc1ccc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1 ZINC000261813115 638686325 /nfs/dbraw/zinc/68/63/25/638686325.db2.gz WZZSMGDAMKJFFD-ZDUSSCGKSA-N 0 3 385.383 0.949 20 0 GCADHN Cc1ncc(I)c(N2CCN(CCN(C)C)C(=O)C2)n1 ZINC000894384065 638698218 /nfs/dbraw/zinc/69/82/18/638698218.db2.gz YKKQEMMNRUJUQR-UHFFFAOYSA-N 0 3 389.241 0.600 20 0 GCADHN CS(=O)(=O)N1CC(CNCc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894502707 638702475 /nfs/dbraw/zinc/70/24/75/638702475.db2.gz FNCSWZQWSNSKAJ-UHFFFAOYSA-N 0 3 380.923 0.614 20 0 GCADHN O=C(NCCn1cc(Br)cn1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894801215 638712110 /nfs/dbraw/zinc/71/21/10/638712110.db2.gz WJDHYYBYNVBGMU-ZIAGYGMSSA-N 0 3 386.294 0.886 20 0 GCADHN Cn1cc(CN[C@H]2CCCN(CCCO)C2)c(I)n1 ZINC000894875191 638715029 /nfs/dbraw/zinc/71/50/29/638715029.db2.gz XGFZKZBLFRAGDA-LBPRGKRZSA-N 0 3 378.258 0.961 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000262116565 638726442 /nfs/dbraw/zinc/72/64/42/638726442.db2.gz INSOYQBDFWNCBL-GFCCVEGCSA-N 0 3 391.515 0.735 20 0 GCADHN CC[C@H](CNC(=S)NCCNS(C)(=O)=O)N1CCc2ccccc2C1 ZINC000727074080 638733904 /nfs/dbraw/zinc/73/39/04/638733904.db2.gz QVJDNJYBHXPIKW-MRXNPFEDSA-N 0 3 384.571 0.837 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c(OC)c1 ZINC000262162349 638734409 /nfs/dbraw/zinc/73/44/09/638734409.db2.gz VCLUKLOWDVOMHQ-AAEUAGOBSA-N 0 3 391.515 0.863 20 0 GCADHN OCCO[C@@]1(CNCc2sc(N3CCOCC3)nc2Cl)CCOC1 ZINC000895250137 638744270 /nfs/dbraw/zinc/74/42/70/638744270.db2.gz COZFOFGEZMSTJL-OAHLLOKOSA-N 0 3 377.894 0.891 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)Cc1cn(C)nc1I ZINC000895258075 638745334 /nfs/dbraw/zinc/74/53/34/638745334.db2.gz BCQXPMZOAACUQU-UHFFFAOYSA-N 0 3 393.273 0.477 20 0 GCADHN Cn1cc(CN[C@H]2CCN(CC(C)(C)O)C2)c(I)n1 ZINC000895417418 638750773 /nfs/dbraw/zinc/75/07/73/638750773.db2.gz AERQDSNAJUZSRJ-NSHDSACASA-N 0 3 378.258 0.960 20 0 GCADHN Cn1ncc(I)c1CN[C@H]1CCN(CC(C)(C)O)C1 ZINC000895417747 638750819 /nfs/dbraw/zinc/75/08/19/638750819.db2.gz GKTPNUIALVHMBR-JTQLQIEISA-N 0 3 378.258 0.960 20 0 GCADHN COCCN1CCC(NC(=O)c2c[nH]nc2I)CC1 ZINC000895888109 639033492 /nfs/dbraw/zinc/03/34/92/639033492.db2.gz IQFKNPWZQABKNT-UHFFFAOYSA-N 0 3 378.214 0.855 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cn(C)nc1Br ZINC000896073031 639037911 /nfs/dbraw/zinc/03/79/11/639037911.db2.gz MCJXYVVXKQXTPZ-LBPRGKRZSA-N 0 3 386.294 0.855 20 0 GCADHN CS[C@@H]1CN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)C[C@H]1N(C)C ZINC000897237335 639090115 /nfs/dbraw/zinc/09/01/15/639090115.db2.gz HKARFZQKPKFJBC-ZIAGYGMSSA-N 0 3 390.506 0.389 20 0 GCADHN CS[C@@H]1CN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)C[C@@H]1N(C)C ZINC000897237334 639090220 /nfs/dbraw/zinc/09/02/20/639090220.db2.gz HKARFZQKPKFJBC-UONOGXRCSA-N 0 3 390.506 0.389 20 0 GCADHN C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000262733051 639133921 /nfs/dbraw/zinc/13/39/21/639133921.db2.gz FCCPPGVVUPBZRT-SNVBAGLBSA-N 0 3 379.479 0.945 20 0 GCADHN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000866940482 639141656 /nfs/dbraw/zinc/14/16/56/639141656.db2.gz ONZIAWOXZCZWCV-SNVBAGLBSA-N 0 3 383.312 0.818 20 0 GCADHN CC(C)[NH+]1CCC(O)(C[N-]S(=O)(=O)c2cnn(C)c2Br)CC1 ZINC000866960868 639163276 /nfs/dbraw/zinc/16/32/76/639163276.db2.gz VJMCSPYWDLLIED-UHFFFAOYSA-N 0 3 395.323 0.696 20 0 GCADHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)CCCN(C)C)CCO1 ZINC000866961498 639163922 /nfs/dbraw/zinc/16/39/22/639163922.db2.gz DCIXFZKOVBCLBV-ZIAGYGMSSA-N 0 3 379.523 0.882 20 0 GCADHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)CCCN(C)C)CCO1 ZINC000866961496 639164081 /nfs/dbraw/zinc/16/40/81/639164081.db2.gz DCIXFZKOVBCLBV-KGLIPLIRSA-N 0 3 379.523 0.882 20 0 GCADHN CCN1CCN(CCNC(=O)c2c(C)[nH]nc2I)CC1 ZINC000897598151 639196832 /nfs/dbraw/zinc/19/68/32/639196832.db2.gz JXSCVRZZJFPYNM-UHFFFAOYSA-N 0 3 391.257 0.690 20 0 GCADHN O=C(CSc1nnnn1CC(F)(F)F)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729972351 639204298 /nfs/dbraw/zinc/20/42/98/639204298.db2.gz XOAZTNLFMBBJJO-ZJUUUORDSA-N 0 3 380.396 0.307 20 0 GCADHN CN(CCO)CCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000899729475 639272620 /nfs/dbraw/zinc/27/26/20/639272620.db2.gz HPVLXPZSCVHWGF-UHFFFAOYSA-N 0 3 375.516 0.577 20 0 GCADHN COc1cc(I)ccc1C(=O)NCCN(C)CCO ZINC000899741613 639274663 /nfs/dbraw/zinc/27/46/63/639274663.db2.gz RYULSXNQWDORMS-UHFFFAOYSA-N 0 3 378.210 0.954 20 0 GCADHN CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCN(C)CCO)s2)CC1 ZINC000899733801 639274857 /nfs/dbraw/zinc/27/48/57/639274857.db2.gz JJISROIDKMKYPJ-UHFFFAOYSA-N 0 3 389.543 0.823 20 0 GCADHN C[C@@](O)(CNCc1ccccc1CS(=O)(=O)N1CCOCC1)C(F)F ZINC000905023289 639290090 /nfs/dbraw/zinc/29/00/90/639290090.db2.gz FTTVULBWMCDWFY-MRXNPFEDSA-N 0 3 378.441 0.954 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@H]1CCN1C ZINC000905547540 639302891 /nfs/dbraw/zinc/30/28/91/639302891.db2.gz YFSFLSMZNAWLNR-CYBMUJFWSA-N 0 3 375.516 0.004 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@@H]1CCN1C ZINC000905547541 639303060 /nfs/dbraw/zinc/30/30/60/639303060.db2.gz YFSFLSMZNAWLNR-ZDUSSCGKSA-N 0 3 375.516 0.004 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1cnn(C(C)(C)C)c1I ZINC000908200263 639443660 /nfs/dbraw/zinc/44/36/60/639443660.db2.gz IDAAZUAVERAKHB-SECBINFHSA-N 0 3 394.257 0.895 20 0 GCADHN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N[C@@H](CO)CN1CCCC1 ZINC000908207906 639445333 /nfs/dbraw/zinc/44/53/33/639445333.db2.gz LANJMYBJBSKZPI-LLVKDONJSA-N 0 3 375.256 0.691 20 0 GCADHN O=C(CNC(=O)Cc1cc[nH]c(=O)c1Br)NCCN1CCCCC1 ZINC000909316637 639476561 /nfs/dbraw/zinc/47/65/61/639476561.db2.gz KLYHQWZILGNCGZ-UHFFFAOYSA-N 0 3 399.289 0.811 20 0 GCADHN CN1CCC(N(CCO)C(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000911938348 639525228 /nfs/dbraw/zinc/52/52/28/639525228.db2.gz XGSLAMGRJBEWFS-UHFFFAOYSA-N 0 3 388.262 0.687 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCO)C2CCN(C)CC2)c1 ZINC000911938191 639525528 /nfs/dbraw/zinc/52/55/28/639525528.db2.gz SUUCPTKOGGKSKM-UHFFFAOYSA-N 0 3 389.905 0.777 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@@H](N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000924845882 639537734 /nfs/dbraw/zinc/53/77/34/639537734.db2.gz OQFMKMXKAYMAOR-KGLIPLIRSA-N 0 3 377.507 0.636 20 0 GCADHN O=S1(=O)CC[C@@H](NNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063149239 639636847 /nfs/dbraw/zinc/63/68/47/639636847.db2.gz NAWJSJJFHDAHSP-MRXNPFEDSA-N 0 3 382.555 0.807 20 0 GCADHN NS(=O)(=O)C[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000914192897 639706903 /nfs/dbraw/zinc/70/69/03/639706903.db2.gz KDKXMXZEUHIMAY-AWEZNQCLSA-N 0 3 390.575 0.668 20 0 GCADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000914408207 639727783 /nfs/dbraw/zinc/72/77/83/639727783.db2.gz IKXDXFSWYWGEHI-ZIAGYGMSSA-N 0 3 376.523 0.856 20 0 GCADHN COCCN1CC[C@H](NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000730733461 639736719 /nfs/dbraw/zinc/73/67/19/639736719.db2.gz KJNBZCDLWZQNFX-AWEZNQCLSA-N 0 3 386.543 0.944 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)cc1C ZINC000916661769 639831925 /nfs/dbraw/zinc/83/19/25/639831925.db2.gz DHNPCGFQXZRDQA-UONOGXRCSA-N 0 3 387.527 0.475 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000918698974 639881078 /nfs/dbraw/zinc/88/10/78/639881078.db2.gz LCHXLVIOAPRFGW-CABCVRRESA-N 0 3 377.576 0.297 20 0 GCADHN CCCN1CCC(N(C)S(=O)(=O)N2CCN(C(=O)OCC)CC2)CC1 ZINC000920258279 639917214 /nfs/dbraw/zinc/91/72/14/639917214.db2.gz ZZCVOEOKKUPUNW-UHFFFAOYSA-N 0 3 376.523 0.812 20 0 GCADHN CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C2 ZINC000920276235 639918109 /nfs/dbraw/zinc/91/81/09/639918109.db2.gz VRWDIFGOIFBWLF-AIANPOQGSA-N 0 3 375.535 0.411 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000921141924 639932719 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CS(=O)(=O)NCCc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000747232596 640306293 /nfs/dbraw/zinc/30/62/93/640306293.db2.gz ZYORBAYQXJOFJZ-OLZOCXBDSA-N 0 3 387.527 0.433 20 0 GCADHN COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000751066587 640374223 /nfs/dbraw/zinc/37/42/23/640374223.db2.gz GPIBGHGLPMOFQY-UHFFFAOYSA-N 0 3 392.909 0.636 20 0 GCADHN CN1CC[C@](O)(CNC(=O)c2cn(-c3ccccc3Br)nn2)C1 ZINC000762716227 640614656 /nfs/dbraw/zinc/61/46/56/640614656.db2.gz JLFJLFNAGUJWBU-HNNXBMFYSA-N 0 3 380.246 0.826 20 0 GCADHN CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CCN(C)C2)ccc1Cl ZINC000762721861 640614889 /nfs/dbraw/zinc/61/48/89/640614889.db2.gz OWRBNVFLVGAULD-HNNXBMFYSA-N 0 3 375.878 0.387 20 0 GCADHN C[C@H](CC(N)=O)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000763398718 640627803 /nfs/dbraw/zinc/62/78/03/640627803.db2.gz QPJFFXKYIQNQMJ-MNOVXSKESA-N 0 3 377.488 0.327 20 0 GCADHN C[C@@H](NC[C@H]1COCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765252666 640666086 /nfs/dbraw/zinc/66/60/86/640666086.db2.gz UGDGKJRGPSTRPV-DOMZBBRYSA-N 0 3 392.499 0.478 20 0 GCADHN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765364420 640667654 /nfs/dbraw/zinc/66/76/54/640667654.db2.gz PHMAREYTODDDJF-KCQAQPDRSA-N 0 3 388.511 1.000 20 0 GCADHN Cn1nc(Br)c2c1ncn(CC(=O)OCCN1CCCCC1)c2=O ZINC000770370291 640804164 /nfs/dbraw/zinc/80/41/64/640804164.db2.gz LYASKNBAQSYYRT-UHFFFAOYSA-N 0 3 398.261 0.922 20 0 GCADHN NS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000771036653 640819364 /nfs/dbraw/zinc/81/93/64/640819364.db2.gz AJFYEFKBRKSDBY-LBPRGKRZSA-N 0 3 387.889 0.971 20 0 GCADHN C[C@@H](CC(=O)Nc1cccnc1Cl)NCCS(=O)(=O)N1CCOCC1 ZINC000772948687 640853263 /nfs/dbraw/zinc/85/32/63/640853263.db2.gz XVYBBZZWRNVLEB-LBPRGKRZSA-N 0 3 390.893 0.704 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NCc2cnc(Br)s2)CC1=O ZINC000773527343 640867354 /nfs/dbraw/zinc/86/73/54/640867354.db2.gz CFINCCFJCORNES-SECBINFHSA-N 0 3 375.292 0.932 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1CC1(Cl)Cl ZINC000775191171 641072378 /nfs/dbraw/zinc/07/23/78/641072378.db2.gz FJXJRMQNQDSXLJ-NEPJUHHUSA-N 0 3 393.315 0.355 20 0 GCADHN O=C(c1cc(I)c[nH]1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861712857 641162368 /nfs/dbraw/zinc/16/23/68/641162368.db2.gz VCLJLONDXICHNU-MNOVXSKESA-N 0 3 375.210 0.900 20 0 GCADHN O=S(=O)(NCc1cn(CC[C@@H]2CC2(Cl)Cl)nn1)N1CCNCC1 ZINC000864633323 641268051 /nfs/dbraw/zinc/26/80/51/641268051.db2.gz FXTUKXHAHJCGFI-SNVBAGLBSA-N 0 3 383.305 0.102 20 0 GCADHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866743195 641322828 /nfs/dbraw/zinc/32/28/28/641322828.db2.gz YZYNOSYTZAUUEX-QMMMGPOBSA-N 0 3 386.259 0.821 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]([NH3+])C2)c1I ZINC000866757107 641324936 /nfs/dbraw/zinc/32/49/36/641324936.db2.gz JITBKWLBRHJLEK-HTQZYQBOSA-N 0 3 384.243 0.573 20 0 GCADHN C[C@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866761326 641326273 /nfs/dbraw/zinc/32/62/73/641326273.db2.gz 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ZINC000868056759 641395075 /nfs/dbraw/zinc/39/50/75/641395075.db2.gz WCIUGXKBSJHFNK-UHFFFAOYSA-N 0 3 385.306 0.753 20 0 GCADHN CC(C)n1ncc(C(=O)N[C@@H](CO)CN(C)C)c1I ZINC000868345283 641402406 /nfs/dbraw/zinc/40/24/06/641402406.db2.gz FIWQSCNDUDZPIE-SECBINFHSA-N 0 3 380.230 0.721 20 0 GCADHN Cn1nc(I)cc1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000868344018 641402508 /nfs/dbraw/zinc/40/25/08/641402508.db2.gz NMZQLEZOIWBVIA-VHSXEESVSA-N 0 3 390.225 0.306 20 0 GCADHN Cn1ncc(I)c1CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000868362644 641402931 /nfs/dbraw/zinc/40/29/31/641402931.db2.gz CXSINOWZZTVYHA-SECBINFHSA-N 0 3 377.230 0.918 20 0 GCADHN C[C@H](CS(=O)(=O)c1ccccc1)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000122404857 641416371 /nfs/dbraw/zinc/41/63/71/641416371.db2.gz HBBLJNYYXMESNT-OAHLLOKOSA-N 0 3 388.555 0.947 20 0 GCADHN O=S(=O)(N[C@H]1CCN(c2ccccc2OC(F)F)C1)N1CCNCC1 ZINC000923611225 641424727 /nfs/dbraw/zinc/42/47/27/641424727.db2.gz AROLVTNNQOPFEH-LBPRGKRZSA-N 0 3 376.429 0.606 20 0 GCADHN Cn1ncc(I)c1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869778004 641428711 /nfs/dbraw/zinc/42/87/11/641428711.db2.gz SUBVXJUMSKVWPB-VIFPVBQESA-N 0 3 392.241 0.600 20 0 GCADHN CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000869781567 641429465 /nfs/dbraw/zinc/42/94/65/641429465.db2.gz RPHGYLOVSYXYKG-JTQLQIEISA-N 0 3 395.934 0.641 20 0 GCADHN CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000869781567 641429471 /nfs/dbraw/zinc/42/94/71/641429471.db2.gz RPHGYLOVSYXYKG-JTQLQIEISA-N 0 3 395.934 0.641 20 0 GCADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=S)NC2CCN(C)CC2)C1 ZINC000792688176 641452686 /nfs/dbraw/zinc/45/26/86/641452686.db2.gz JLJWEACPZQZXAU-HNNXBMFYSA-N 0 3 392.591 0.328 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000792953607 641458376 /nfs/dbraw/zinc/45/83/76/641458376.db2.gz RYFLFYULOCSXIY-LBPRGKRZSA-N 0 3 398.305 0.925 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(Br)n1 ZINC000793030059 641461903 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LUGRKPYQXHSVHZ-CGTJXYLNSA-N 0 3 380.510 0.869 20 0 GCADHN O=C(NC[C@H](n1cncn1)C(F)(F)F)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000637004512 1192363126 /nfs/dbraw/zinc/36/31/26/1192363126.db2.gz CBAZRTHOUKGXCN-UPJWGTAASA-N 0 3 388.394 0.631 20 0 GCADHN C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000663506215 1192366094 /nfs/dbraw/zinc/36/60/94/1192366094.db2.gz JYMPLZDYKWUFKJ-CYBMUJFWSA-N 0 3 399.517 0.056 20 0 GCADHN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663528860 1192375986 /nfs/dbraw/zinc/37/59/86/1192375986.db2.gz BIEFIOWYNKMGOT-IRXDYDNUSA-N 0 3 398.529 0.331 20 0 GCADHN C[C@@H]1c2ccccc2OCCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000663574422 1192394548 /nfs/dbraw/zinc/39/45/48/1192394548.db2.gz GNRFEGQLHOZXLT-OAHLLOKOSA-N 0 3 388.468 0.201 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000585719096 1192397192 /nfs/dbraw/zinc/39/71/92/1192397192.db2.gz REXDKIJBHQORIW-LSDHHAIUSA-N 0 3 383.489 0.546 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000663589457 1192406230 /nfs/dbraw/zinc/40/62/30/1192406230.db2.gz UHZSFCQXMDRXKX-UHFFFAOYSA-N 0 3 392.504 0.080 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000585769079 1192408044 /nfs/dbraw/zinc/40/80/44/1192408044.db2.gz CWVRWCBAIMTQJO-OFLPRAFFSA-N 0 3 397.516 0.794 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000585777656 1192408590 /nfs/dbraw/zinc/40/85/90/1192408590.db2.gz URQRTRYDAPPAMY-BZUAXINKSA-N 0 3 397.516 0.792 20 0 GCADHN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)n2)c1 ZINC000278989538 1192429811 /nfs/dbraw/zinc/42/98/11/1192429811.db2.gz QDKVPVAKJPIWLZ-ZIAGYGMSSA-N 0 3 385.472 0.762 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 ZINC000637203174 1192433557 /nfs/dbraw/zinc/43/35/57/1192433557.db2.gz PGUGEKLZDUCKSM-MNOVXSKESA-N 0 3 376.383 0.487 20 0 GCADHN CN1CCN(CCCNC(=O)N2CCC(O)(CO)CC2)[C@H](c2ccccc2)C1 ZINC000663647373 1192446253 /nfs/dbraw/zinc/44/62/53/1192446253.db2.gz UILNXSGYSQVYBJ-IBGZPJMESA-N 0 3 390.528 0.894 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cnc[n-]c3=O)C2)CC[N@@H+]1C ZINC000981607518 1192449772 /nfs/dbraw/zinc/44/97/72/1192449772.db2.gz WZBPDRHRHKURIV-KNCOVGOOSA-N 0 3 375.473 0.927 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cnc[n-]c3=O)C2)CC[N@H+]1C ZINC000981607518 1192449774 /nfs/dbraw/zinc/44/97/74/1192449774.db2.gz WZBPDRHRHKURIV-KNCOVGOOSA-N 0 3 375.473 0.927 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000432469556 1192467984 /nfs/dbraw/zinc/46/79/84/1192467984.db2.gz PBHAIFSVSZUUDR-HUUCEWRRSA-N 0 3 388.534 0.305 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000663681675 1192482386 /nfs/dbraw/zinc/48/23/86/1192482386.db2.gz CJUIOZSSZSOPMH-CYBMUJFWSA-N 0 3 381.443 0.532 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001745421943 1192483934 /nfs/dbraw/zinc/48/39/34/1192483934.db2.gz YDNFQDPQCKRYNP-VVLHAWIVSA-N 0 3 381.517 0.875 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3C)CCSC1 ZINC000279219911 1192488608 /nfs/dbraw/zinc/48/86/08/1192488608.db2.gz NDQZHVZCHFKTHC-SFHVURJKSA-N 0 3 376.482 0.698 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000467035093 1192497684 /nfs/dbraw/zinc/49/76/84/1192497684.db2.gz GSGGYRHFYDUPGZ-MLGOLLRUSA-N 0 3 382.486 0.248 20 0 GCADHN CCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1 ZINC001745432448 1192509334 /nfs/dbraw/zinc/50/93/34/1192509334.db2.gz CMCKZIFBCKJFJQ-AWEZNQCLSA-N 0 3 382.534 0.530 20 0 GCADHN CCC[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(N)=O)CCN1CCOC ZINC000637375748 1192518729 /nfs/dbraw/zinc/51/87/29/1192518729.db2.gz RRMXQPPTRPGMRI-SJORKVTESA-N 0 3 383.537 0.469 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc2c(c1)NC(=O)CS2 ZINC000432528534 1192523216 /nfs/dbraw/zinc/52/32/16/1192523216.db2.gz AGQNZIKJFJVEAE-UHFFFAOYSA-N 0 3 392.525 0.851 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N(C)CCCCCO)cc21 ZINC000279355447 1192529688 /nfs/dbraw/zinc/52/96/88/1192529688.db2.gz DBIIJQVDDDTUCX-UHFFFAOYSA-N 0 3 392.456 0.716 20 0 GCADHN CO[C@@]1(C)CCCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000279382821 1192533464 /nfs/dbraw/zinc/53/34/64/1192533464.db2.gz SXAYADSCOIOMKZ-KSSFIOAISA-N 0 3 383.514 0.882 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000432548316 1192551484 /nfs/dbraw/zinc/55/14/84/1192551484.db2.gz XFGZRCRXQQXTFG-QGZVFWFLSA-N 0 3 380.533 0.284 20 0 GCADHN CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000154251639 1192590913 /nfs/dbraw/zinc/59/09/13/1192590913.db2.gz YHZDDMNLPUVSHP-MRXNPFEDSA-N 0 3 397.545 0.472 20 0 GCADHN O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893700675 1192595578 /nfs/dbraw/zinc/59/55/78/1192595578.db2.gz ZSXAUAFXTLYUOI-XWSJACJDSA-N 0 3 380.533 0.870 20 0 GCADHN CNC(=O)C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccccc1 ZINC000888939428 1192603656 /nfs/dbraw/zinc/60/36/56/1192603656.db2.gz OETMQOQIMRLSDK-ZBFHGGJFSA-N 0 3 375.473 0.625 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000509739024 1192609840 /nfs/dbraw/zinc/60/98/40/1192609840.db2.gz SKJXTYJJCQGDJM-FJIDUMEYSA-N 0 3 383.533 0.859 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(NC(C)=O)nc2)CC1 ZINC000279855288 1192612114 /nfs/dbraw/zinc/61/21/14/1192612114.db2.gz BFFUPPKLOUQQPZ-UHFFFAOYSA-N 0 3 390.488 0.736 20 0 GCADHN COC(=O)c1cn([C@H]2CCN(C(=O)NC[C@H]3NCCc4ccccc43)C2)nn1 ZINC000418642214 1192623584 /nfs/dbraw/zinc/62/35/84/1192623584.db2.gz SWKJLSGNWIXCFY-GOEBONIOSA-N 0 3 384.440 0.908 20 0 GCADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1ccccc1 ZINC001268313993 1192626547 /nfs/dbraw/zinc/62/65/47/1192626547.db2.gz HONMMPNBVWFBIB-MJQMVNBJSA-N 0 3 375.469 0.185 20 0 GCADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCc1ccccc1 ZINC001268313990 1192626676 /nfs/dbraw/zinc/62/66/76/1192626676.db2.gz HONMMPNBVWFBIB-LSTDLKDCSA-N 0 3 375.469 0.185 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000432718190 1192637417 /nfs/dbraw/zinc/63/74/17/1192637417.db2.gz OIAFBXGOLVPOAL-KBPBESRZSA-N 0 3 390.550 0.009 20 0 GCADHN O=C(NCCc1ccc(OC(F)(F)F)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000418760091 1192640921 /nfs/dbraw/zinc/64/09/21/1192640921.db2.gz IUJKKFZHZATYEX-CYBMUJFWSA-N 0 3 375.347 0.349 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cnn(CC(C)C)c2C)CC1 ZINC000500537729 1192641137 /nfs/dbraw/zinc/64/11/37/1192641137.db2.gz YSXVLLUJFCTBKD-UHFFFAOYSA-N 0 3 378.521 0.930 20 0 GCADHN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@H]1CNCCO1 ZINC000418774334 1192641819 /nfs/dbraw/zinc/64/18/19/1192641819.db2.gz VDZDSBJNHTZGJT-IEBWSBKVSA-N 0 3 376.501 0.907 20 0 GCADHN COC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CNCCO3)[C@@H](C)C2)cc1 ZINC000418776547 1192643115 /nfs/dbraw/zinc/64/31/15/1192643115.db2.gz XOWKOXCQQXMMIG-YOEHRIQHSA-N 0 3 376.457 0.682 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000418783566 1192644561 /nfs/dbraw/zinc/64/45/61/1192644561.db2.gz OQVAIEMBPKMPGV-KRWDZBQOSA-N 0 3 384.436 0.357 20 0 GCADHN O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)C(=O)NC[C@H]1CNCCO1 ZINC000418793528 1192645588 /nfs/dbraw/zinc/64/55/88/1192645588.db2.gz OLGXRCSFLDHCSF-QGZVFWFLSA-N 0 3 388.399 0.734 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2C[C@H](C)NC[C@H]2C)N(C)C)cc1OC ZINC000418827316 1192657469 /nfs/dbraw/zinc/65/74/69/1192657469.db2.gz GRDSERIGRRTSRK-LZWOXQAQSA-N 0 3 392.500 0.632 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C[C@@H](C)N1 ZINC000418837592 1192662690 /nfs/dbraw/zinc/66/26/90/1192662690.db2.gz AWMXPPMXZIEUNO-QZTJIDSGSA-N 0 3 387.528 0.129 20 0 GCADHN COCCOc1cc(C)ccc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000418830335 1192659283 /nfs/dbraw/zinc/65/92/83/1192659283.db2.gz UBKARUWXYKNDFZ-HOCLYGCPSA-N 0 3 393.484 0.866 20 0 GCADHN COc1ccc([C@H](CNC(=O)C(=O)N2C[C@@H](C)N[C@H](C)C2)N(C)C)cc1OC ZINC000418841978 1192663032 /nfs/dbraw/zinc/66/30/32/1192663032.db2.gz ZKQVKTKVDOSVQB-FMKPAKJESA-N 0 3 392.500 0.632 20 0 GCADHN Cc1nc(CN2CCC(CNC(=O)C(=O)N3C[C@H](C)NC[C@@H]3C)CC2)oc1C ZINC000418851926 1192665623 /nfs/dbraw/zinc/66/56/23/1192665623.db2.gz GIGRSCLLZWGTHZ-KBPBESRZSA-N 0 3 391.516 0.828 20 0 GCADHN COc1cccc([C@H](CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)N(C)C)c1 ZINC000418862283 1192671043 /nfs/dbraw/zinc/67/10/43/1192671043.db2.gz OAHNTHGCUNVVBW-COXVUDFISA-N 0 3 392.500 0.643 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)[C@@H](C)CN1 ZINC000418865342 1192672188 /nfs/dbraw/zinc/67/21/88/1192672188.db2.gz RLOVGWJJMVARRG-ROUUACIJSA-N 0 3 387.528 0.129 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000418865343 1192672425 /nfs/dbraw/zinc/67/24/25/1192672425.db2.gz RLOVGWJJMVARRG-ZWKOTPCHSA-N 0 3 387.528 0.129 20 0 GCADHN C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418911290 1192687736 /nfs/dbraw/zinc/68/77/36/1192687736.db2.gz CPRJOFRQSILHTG-PBHICJAKSA-N 0 3 377.485 0.972 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)C[C@@H]1O ZINC000663828903 1192691838 /nfs/dbraw/zinc/69/18/38/1192691838.db2.gz AXMOEXVQGDBKJA-SQNIBIBYSA-N 0 3 380.464 0.515 20 0 GCADHN COCCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000418921714 1192691998 /nfs/dbraw/zinc/69/19/98/1192691998.db2.gz JRCSYRGRIWHMAL-HIFRSBDPSA-N 0 3 379.457 0.557 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000418939285 1192697868 /nfs/dbraw/zinc/69/78/68/1192697868.db2.gz FNBLNVKCUQABHH-IUODEOHRSA-N 0 3 394.447 0.291 20 0 GCADHN O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)N1CCCNCC1 ZINC000418947758 1192699216 /nfs/dbraw/zinc/69/92/16/1192699216.db2.gz SWRKUTPXDJZRBX-UHFFFAOYSA-N 0 3 377.832 0.871 20 0 GCADHN CCOc1cc2c(cc1CNC(=O)C(=O)NC[C@H]1CNCCO1)O[C@@H](C)C2 ZINC000418999697 1192713125 /nfs/dbraw/zinc/71/31/25/1192713125.db2.gz QVQWLHQFGMSMJT-SWLSCSKDSA-N 0 3 377.441 0.130 20 0 GCADHN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C(=O)NC[C@H]1CNCCO1 ZINC000419006566 1192715444 /nfs/dbraw/zinc/71/54/44/1192715444.db2.gz SQCKAKZNPIGJPW-GFCCVEGCSA-N 0 3 383.832 0.222 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000419012670 1192719158 /nfs/dbraw/zinc/71/91/58/1192719158.db2.gz FXQDIJLYOIANDZ-ZQIUZPCESA-N 0 3 392.475 0.997 20 0 GCADHN CCOC(=O)c1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419018658 1192722108 /nfs/dbraw/zinc/72/21/08/1192722108.db2.gz HWCOXQHKXSRFDV-SWLSCSKDSA-N 0 3 377.441 0.709 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(OCC(F)(F)F)cc1 ZINC000419022811 1192725049 /nfs/dbraw/zinc/72/50/49/1192725049.db2.gz ISPSIAYEFVXDLF-SMDDNHRTSA-N 0 3 389.374 0.910 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCCOc3ccccc3)C2)nn1 ZINC000419023940 1192725647 /nfs/dbraw/zinc/72/56/47/1192725647.db2.gz WXZINOLBLGWLDU-MRXNPFEDSA-N 0 3 386.456 0.486 20 0 GCADHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419021128 1192725951 /nfs/dbraw/zinc/72/59/51/1192725951.db2.gz SMJGMSIQASQTQN-KRWDZBQOSA-N 0 3 385.468 0.269 20 0 GCADHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419021129 1192726283 /nfs/dbraw/zinc/72/62/83/1192726283.db2.gz SMJGMSIQASQTQN-QGZVFWFLSA-N 0 3 385.468 0.269 20 0 GCADHN CCN(CC(C)(C)O)C(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000410584092 1192729054 /nfs/dbraw/zinc/72/90/54/1192729054.db2.gz KSOHEMNRBNWTEZ-HZPDHXFCSA-N 0 3 383.533 0.954 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000419030766 1192732730 /nfs/dbraw/zinc/73/27/30/1192732730.db2.gz HYBCBIQGQPMAAH-IRXDYDNUSA-N 0 3 389.477 0.649 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000419033617 1192733773 /nfs/dbraw/zinc/73/37/73/1192733773.db2.gz LSZBIGIHUJINEU-YUTCNCBUSA-N 0 3 392.431 0.276 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CSc4ccccc43)C2)nn1 ZINC000419038134 1192736045 /nfs/dbraw/zinc/73/60/45/1192736045.db2.gz SWXXTVRTQXONTI-HIFRSBDPSA-N 0 3 386.481 0.864 20 0 GCADHN COCCOC(=O)c1sc2[n-]c(CN3C[C@H]4C[NH2+]C[C@H]4C3)nc(=O)c2c1C ZINC000728914006 1192737566 /nfs/dbraw/zinc/73/75/66/1192737566.db2.gz KYYRTSOTZLUNKP-TXEJJXNPSA-N 0 3 392.481 0.747 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCCCO2)CC1 ZINC000500746372 1192737600 /nfs/dbraw/zinc/73/76/00/1192737600.db2.gz HNZLPAPWWGQYDK-CVEARBPZSA-N 0 3 382.505 0.073 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1N1CCOCC1 ZINC000419044020 1192738214 /nfs/dbraw/zinc/73/82/14/1192738214.db2.gz KZPRLQCLZGOOLJ-HOCLYGCPSA-N 0 3 390.484 0.369 20 0 GCADHN CS(=O)(=O)CC[C@@H](N)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000237321349 1192738851 /nfs/dbraw/zinc/73/88/51/1192738851.db2.gz ROCSXEGAESNJGC-GOSISDBHSA-N 0 3 396.557 0.073 20 0 GCADHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000439954241 1192759297 /nfs/dbraw/zinc/75/92/97/1192759297.db2.gz ZUPULCJGXAXVOF-KCYZZUKISA-N 0 3 385.530 0.797 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)C[C@@H](N)c3ccccc3)CC2)cn1 ZINC000237701547 1192759543 /nfs/dbraw/zinc/75/95/43/1192759543.db2.gz BDZUPESVLSQGDR-QGZVFWFLSA-N 0 3 391.497 0.780 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000237729588 1192760724 /nfs/dbraw/zinc/76/07/24/1192760724.db2.gz KIALVGJIENWLLV-QGZVFWFLSA-N 0 3 394.903 0.873 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000237825344 1192764607 /nfs/dbraw/zinc/76/46/07/1192764607.db2.gz DDHXDXGKAWBQST-GOSISDBHSA-N 0 3 392.475 0.749 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC3(CCCC3)C2)CC1 ZINC000410624895 1192766310 /nfs/dbraw/zinc/76/63/10/1192766310.db2.gz MBLMCDWKBKZSLF-KRWDZBQOSA-N 0 3 390.528 0.934 20 0 GCADHN CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CCCNCC1 ZINC000419076293 1192773849 /nfs/dbraw/zinc/77/38/49/1192773849.db2.gz PQQJPLYLCUKEKB-UHFFFAOYSA-N 0 3 396.513 0.202 20 0 GCADHN Cc1nc(-c2ccc(CCNC(=O)C(=O)NC[C@H]3CNCCO3)s2)cs1 ZINC000419070992 1192768413 /nfs/dbraw/zinc/76/84/13/1192768413.db2.gz HZWGAJPUYSAUHU-GFCCVEGCSA-N 0 3 394.522 0.943 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)CC1=O ZINC000644895008 1192775893 /nfs/dbraw/zinc/77/58/93/1192775893.db2.gz SZCXAAPDJALHLC-INIZCTEOSA-N 0 3 388.468 0.019 20 0 GCADHN O=C(NCCCO[C@@H]1CCCc2ccccc21)C(=O)NC[C@@H]1CNCCO1 ZINC000419087921 1192779798 /nfs/dbraw/zinc/77/97/98/1192779798.db2.gz KAOMLFLYDDCFDG-FUHWJXTLSA-N 0 3 375.469 0.692 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2cc(C)ccn2)CC1 ZINC000509723173 1192780025 /nfs/dbraw/zinc/78/00/25/1192780025.db2.gz WHVZSGCXUUFYPY-UHFFFAOYSA-N 0 3 377.489 0.123 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N(CC2CC2)CC2CC2)CC1 ZINC000410641825 1192780610 /nfs/dbraw/zinc/78/06/10/1192780610.db2.gz XBGCRKVBFJKDEA-UHFFFAOYSA-N 0 3 376.501 0.402 20 0 GCADHN CCOc1cc(CCCNC(=O)C(=O)NC[C@@H]2CNCCO2)ccc1OC ZINC000419088844 1192781317 /nfs/dbraw/zinc/78/13/17/1192781317.db2.gz CAYVZWWVUJUZPN-HNNXBMFYSA-N 0 3 379.457 0.247 20 0 GCADHN CCOc1cc(CCCNC(=O)C(=O)NC[C@H]2CNCCO2)ccc1OC ZINC000419088850 1192781420 /nfs/dbraw/zinc/78/14/20/1192781420.db2.gz CAYVZWWVUJUZPN-OAHLLOKOSA-N 0 3 379.457 0.247 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCCS(=O)(=O)c1ccc(F)cc1)C1CCCC1 ZINC000419098919 1192785514 /nfs/dbraw/zinc/78/55/14/1192785514.db2.gz SBHNKNLJGAYENQ-HNNXBMFYSA-N 0 3 385.461 0.349 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCCNCC2)c(-n2cc(Cl)cn2)n1 ZINC000419100475 1192785861 /nfs/dbraw/zinc/78/58/61/1192785861.db2.gz FYAFVHCMRSLWRJ-UHFFFAOYSA-N 0 3 376.848 0.667 20 0 GCADHN NC(=O)[C@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000051685609 1192788349 /nfs/dbraw/zinc/78/83/49/1192788349.db2.gz WYXPUMRCEJYKAS-GOSISDBHSA-N 0 3 389.500 0.090 20 0 GCADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)C1 ZINC000410661609 1192794172 /nfs/dbraw/zinc/79/41/72/1192794172.db2.gz JMOFBIXLSJGUIL-OAHLLOKOSA-N 0 3 395.548 0.875 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000419120654 1192794769 /nfs/dbraw/zinc/79/47/69/1192794769.db2.gz QZWDBPLVEIHINK-DZGCQCFKSA-N 0 3 375.473 0.527 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1=O ZINC000500804293 1192795493 /nfs/dbraw/zinc/79/54/93/1192795493.db2.gz JBOLGRSNIXYYCT-IRXDYDNUSA-N 0 3 390.484 0.623 20 0 GCADHN O=C(NCc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419112955 1192799552 /nfs/dbraw/zinc/79/95/52/1192799552.db2.gz GHIHEAJTZDWJCI-ZDUSSCGKSA-N 0 3 375.347 0.349 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1nccn1Cc1ccccc1 ZINC000419129819 1192805177 /nfs/dbraw/zinc/80/51/77/1192805177.db2.gz YPLWUCWQMSJJOC-DOTOQJQBSA-N 0 3 399.495 0.819 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)C1=O ZINC000500814651 1192808708 /nfs/dbraw/zinc/80/87/08/1192808708.db2.gz RJCOXFVXRDDQFY-HZPDHXFCSA-N 0 3 376.457 0.753 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCc3ccccc3Cl)C2)nn1 ZINC000419137043 1192809457 /nfs/dbraw/zinc/80/94/57/1192809457.db2.gz DCCMVFCNYQQGOB-HNNXBMFYSA-N 0 3 390.875 0.913 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000419154245 1192812087 /nfs/dbraw/zinc/81/20/87/1192812087.db2.gz QBCDPLVQJHBICU-RDJZCZTQSA-N 0 3 399.495 0.971 20 0 GCADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)n2C ZINC000419165110 1192822878 /nfs/dbraw/zinc/82/28/78/1192822878.db2.gz FTNAABQOFHRVLF-BXUZGUMPSA-N 0 3 389.456 0.427 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000419176853 1192828392 /nfs/dbraw/zinc/82/83/92/1192828392.db2.gz CHFRQCQDKBZQIZ-BBRMVZONSA-N 0 3 385.468 0.933 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCCc3cc(N)ccc32)CC1(C)C ZINC000419193083 1192831792 /nfs/dbraw/zinc/83/17/92/1192831792.db2.gz YTEYPAAJCJULGW-SFHVURJKSA-N 0 3 387.528 0.905 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000419195633 1192831909 /nfs/dbraw/zinc/83/19/09/1192831909.db2.gz YHRBVYURCBYAEW-AAEUAGOBSA-N 0 3 384.839 0.279 20 0 GCADHN NC(=O)[C@H]1CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000051710345 1192838582 /nfs/dbraw/zinc/83/85/82/1192838582.db2.gz ZUOPGIYMKCGKDN-GOSISDBHSA-N 0 3 389.500 0.485 20 0 GCADHN CCC1(CC)[C@H](N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H](C)[C@@H]1OC ZINC000245580238 1192844083 /nfs/dbraw/zinc/84/40/83/1192844083.db2.gz BDCSFDYDHUXOJK-DRABBMOASA-N 0 3 380.489 0.667 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000663850776 1192851600 /nfs/dbraw/zinc/85/16/00/1192851600.db2.gz JYNCKKKTMYSZMZ-KRWDZBQOSA-N 0 3 389.500 0.449 20 0 GCADHN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893775977 1192852997 /nfs/dbraw/zinc/85/29/97/1192852997.db2.gz UHMQHZNMDNKPFY-MCIONIFRSA-N 0 3 392.422 0.780 20 0 GCADHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cn1 ZINC000419206591 1192858858 /nfs/dbraw/zinc/85/88/58/1192858858.db2.gz NANAREJROFMWMO-HIFRSBDPSA-N 0 3 377.489 0.773 20 0 GCADHN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000549726725 1192863921 /nfs/dbraw/zinc/86/39/21/1192863921.db2.gz MGNSWOHDCCHXTL-ZIAGYGMSSA-N 0 3 380.514 0.973 20 0 GCADHN CCN1CC[C@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H]1CCN1CC ZINC000893873871 1192870425 /nfs/dbraw/zinc/87/04/25/1192870425.db2.gz RNARCXDRFXQTEK-HOTGVXAUSA-N 0 3 382.549 0.981 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccc3c2COC3=O)CC1 ZINC000728934654 1192878400 /nfs/dbraw/zinc/87/84/00/1192878400.db2.gz QKSJUEAYWFKFOW-UHFFFAOYSA-N 0 3 395.481 0.532 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)[C@H]3CCOC3)c2)CC1 ZINC000473371278 1192879767 /nfs/dbraw/zinc/87/97/67/1192879767.db2.gz SSLWFGDPOVBSHJ-MAUKXSAKSA-N 0 3 390.484 0.281 20 0 GCADHN C[C@H](O)CN1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)[C@@H](C)C1 ZINC000473374330 1192880272 /nfs/dbraw/zinc/88/02/72/1192880272.db2.gz AEWRMZKIKOELAS-KBPBESRZSA-N 0 3 386.452 0.171 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)Cn3cccn3)C2)CC1 ZINC000549808551 1192888857 /nfs/dbraw/zinc/88/88/57/1192888857.db2.gz GPLKIWBWBHJIHH-SJORKVTESA-N 0 3 376.505 0.015 20 0 GCADHN Cc1nnc(CNC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)s1 ZINC000894018200 1192891785 /nfs/dbraw/zinc/89/17/85/1192891785.db2.gz OJMLYLZQOIVVML-AWEZNQCLSA-N 0 3 389.529 0.783 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@H]4C3)c2)CC1 ZINC000473413578 1192892247 /nfs/dbraw/zinc/89/22/47/1192892247.db2.gz KCQHCGJXOHJQFT-SFHVURJKSA-N 0 3 399.495 0.600 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](CO)CCSC)c2)CC1 ZINC000473427547 1192896064 /nfs/dbraw/zinc/89/60/64/1192896064.db2.gz KGQIUTZYPMSZQW-MRXNPFEDSA-N 0 3 394.541 0.997 20 0 GCADHN CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CCN(CCOCCNC(C)=O)C1 ZINC001481770835 1192900246 /nfs/dbraw/zinc/90/02/46/1192900246.db2.gz MWYXWUOCOXQUAY-WXJALIKYSA-N 0 3 379.501 0.485 20 0 GCADHN CC[C@H](CSC)N(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410849332 1192909931 /nfs/dbraw/zinc/90/99/31/1192909931.db2.gz VTIARKBCKVCYJV-HUUCEWRRSA-N 0 3 384.546 0.351 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000410886491 1192913637 /nfs/dbraw/zinc/91/36/37/1192913637.db2.gz OCHULWGIBBTHMW-HXUWFJFHSA-N 0 3 398.548 0.707 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000410876042 1192910647 /nfs/dbraw/zinc/91/06/47/1192910647.db2.gz FMKBLNGTQXNMIR-CRAIPNDOSA-N 0 3 393.484 0.194 20 0 GCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000245941876 1192914035 /nfs/dbraw/zinc/91/40/35/1192914035.db2.gz VAMGUPHNRIBRSB-IEBWSBKVSA-N 0 3 378.517 0.841 20 0 GCADHN C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)NCC(F)(F)CN)cc2)C[C@H](C)O1 ZINC000419217290 1192915536 /nfs/dbraw/zinc/91/55/36/1192915536.db2.gz QIIYTVCHGFEHGM-OKILXGFUSA-N 0 3 398.454 0.622 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000410916105 1192916382 /nfs/dbraw/zinc/91/63/82/1192916382.db2.gz PHPBSUMNALAIHP-HXUWFJFHSA-N 0 3 396.532 0.461 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@]2(CO)Cc2ccccc2)CCO1 ZINC000410971743 1192921009 /nfs/dbraw/zinc/92/10/09/1192921009.db2.gz RAYGPSBBSIRIMA-GHTZIAJQSA-N 0 3 389.496 0.372 20 0 GCADHN CN(CC(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1)S(C)(=O)=O ZINC000049395246 1184075187 /nfs/dbraw/zinc/07/51/87/1184075187.db2.gz KMJMJSVHGGZKLA-LLVKDONJSA-N 0 3 375.414 0.265 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCCOCCOC)c2)CC1 ZINC000274491780 1184075475 /nfs/dbraw/zinc/07/54/75/1184075475.db2.gz HIQIUGCKNFVNQU-UHFFFAOYSA-N 0 3 392.500 0.936 20 0 GCADHN COc1ccccc1C(=O)NCC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000274500392 1184078491 /nfs/dbraw/zinc/07/84/91/1184078491.db2.gz HZJNCMCJAXNJQX-MRXNPFEDSA-N 0 3 390.484 0.484 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000274501710 1184078916 /nfs/dbraw/zinc/07/89/16/1184078916.db2.gz FAJSGGWYHYONRF-JKSUJKDBSA-N 0 3 383.489 0.399 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(Cl)c1OCCOC ZINC000274505135 1184079883 /nfs/dbraw/zinc/07/98/83/1184079883.db2.gz VQENEDKWIGKSNG-UHFFFAOYSA-N 0 3 387.864 0.734 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000274512519 1184082852 /nfs/dbraw/zinc/08/28/52/1184082852.db2.gz WZNLXUDNNLXJQG-UHFFFAOYSA-N 0 3 399.451 0.703 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1 ZINC000274512978 1184083675 /nfs/dbraw/zinc/08/36/75/1184083675.db2.gz HLZPPTVGOQEMKG-UHFFFAOYSA-N 0 3 381.473 0.643 20 0 GCADHN COC(=O)c1c(F)cccc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000274524057 1184086285 /nfs/dbraw/zinc/08/62/85/1184086285.db2.gz OAZBERWZEPLRHS-CYBMUJFWSA-N 0 3 394.447 0.693 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cncnc3)cc2)CC1 ZINC000274522398 1184086353 /nfs/dbraw/zinc/08/63/53/1184086353.db2.gz XADPIHWNCNPBSY-UHFFFAOYSA-N 0 3 382.468 0.869 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000274522418 1184086562 /nfs/dbraw/zinc/08/65/62/1184086562.db2.gz YNJAXPFSFUUJJT-UHFFFAOYSA-N 0 3 386.456 0.718 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1C ZINC000274540536 1184092208 /nfs/dbraw/zinc/09/22/08/1184092208.db2.gz RQOIBETUEIGVPY-HNNXBMFYSA-N 0 3 390.484 0.862 20 0 GCADHN Cc1c(C(=O)NCC(=O)NCCN2CCCCC2)cnn1C1CCOCC1 ZINC000909320211 1184093818 /nfs/dbraw/zinc/09/38/18/1184093818.db2.gz GHVQNGPWEPWKKH-UHFFFAOYSA-N 0 3 377.489 0.875 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000274548368 1184093920 /nfs/dbraw/zinc/09/39/20/1184093920.db2.gz HYJDAGCOJWACRF-BHIYHBOVSA-N 0 3 378.517 0.796 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)n(-c2ncccn2)n1 ZINC000274551580 1184095910 /nfs/dbraw/zinc/09/59/10/1184095910.db2.gz DONSXGYXPXGABO-QGZVFWFLSA-N 0 3 389.485 0.463 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000274567120 1184102034 /nfs/dbraw/zinc/10/20/34/1184102034.db2.gz YKKXSCNHMSKIFU-MRXNPFEDSA-N 0 3 392.500 0.793 20 0 GCADHN Cc1nn(CC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)c(=O)n1C ZINC000654724024 1184102966 /nfs/dbraw/zinc/10/29/66/1184102966.db2.gz XRYCPAHWDPGLGU-UHFFFAOYSA-N 0 3 386.500 0.166 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000274576157 1184108029 /nfs/dbraw/zinc/10/80/29/1184108029.db2.gz ZXRIVPHWCYUQRS-CQSZACIVSA-N 0 3 376.457 0.554 20 0 GCADHN CCN(CCO)CCNC(=O)CSc1nncn1-c1ccc(OC)cc1 ZINC000274589235 1184111425 /nfs/dbraw/zinc/11/14/25/1184111425.db2.gz USOSAMOZKJLMFR-UHFFFAOYSA-N 0 3 379.486 0.798 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000274601156 1184114912 /nfs/dbraw/zinc/11/49/12/1184114912.db2.gz WZQDPTGTLQJRDJ-QGZVFWFLSA-N 0 3 397.541 0.826 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000274605875 1184117740 /nfs/dbraw/zinc/11/77/40/1184117740.db2.gz MJSPBMJIZGKUKQ-JLTOFOAXSA-N 0 3 387.484 0.497 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3OC(F)F)CCN2C1=O ZINC000579734131 1184119970 /nfs/dbraw/zinc/11/99/70/1184119970.db2.gz JKJYWBQJNAPHGV-NXEZZACHSA-N 0 3 386.330 0.136 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3Cc3ccccc3)CCN2C1=O ZINC000579735409 1184122324 /nfs/dbraw/zinc/12/23/24/1184122324.db2.gz AIZOIWHLLNLZNE-WJFTUGDTSA-N 0 3 398.507 0.675 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)[C@@H]2C1 ZINC000579744219 1184126082 /nfs/dbraw/zinc/12/60/82/1184126082.db2.gz YCOAURZORDYXKJ-GXTWGEPZSA-N 0 3 377.470 0.394 20 0 GCADHN CC(C)[C@H](CNC(=O)CC1CCN(S(C)(=O)=O)CC1)N1CCN(C)CC1 ZINC000654778881 1184139232 /nfs/dbraw/zinc/13/92/32/1184139232.db2.gz NHXDVCHNLOJPIB-KRWDZBQOSA-N 0 3 388.578 0.436 20 0 GCADHN CN(CCCN(C)C(=O)CNS(=O)(=O)c1cn(C)cn1)Cc1ccncc1 ZINC000579764016 1184143213 /nfs/dbraw/zinc/14/32/13/1184143213.db2.gz OBVIHALIVDYERZ-UHFFFAOYSA-N 0 3 394.501 0.074 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000274660909 1184166401 /nfs/dbraw/zinc/16/64/01/1184166401.db2.gz NGBGNKJGCJPYSV-INIZCTEOSA-N 0 3 378.473 0.280 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000274665832 1184172977 /nfs/dbraw/zinc/17/29/77/1184172977.db2.gz QEGIONIFYJVKPQ-OAHLLOKOSA-N 0 3 397.545 0.883 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000547633444 1184174775 /nfs/dbraw/zinc/17/47/75/1184174775.db2.gz GEUCCYIREFLSAK-QGZVFWFLSA-N 0 3 393.532 0.629 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCCC[C@H]1CNS(C)(=O)=O)c1ccccc1 ZINC000274680317 1184182168 /nfs/dbraw/zinc/18/21/68/1184182168.db2.gz WRHXZCXOYJIEIH-ZWKOTPCHSA-N 0 3 396.557 0.809 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000274686088 1184182773 /nfs/dbraw/zinc/18/27/73/1184182773.db2.gz SWLXTIKSHBAZOC-CYBMUJFWSA-N 0 3 398.485 0.253 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCC[C@@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688738 1184186149 /nfs/dbraw/zinc/18/61/49/1184186149.db2.gz ZKETVMLRGCYSIK-WMZOPIPTSA-N 0 3 396.557 0.667 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)CN2C(=O)CCc3ccccc32)CC1 ZINC000110710592 1184192332 /nfs/dbraw/zinc/19/23/32/1184192332.db2.gz ITQBDHKZMPXBSQ-UHFFFAOYSA-N 0 3 384.480 0.732 20 0 GCADHN O=C(Nc1cccnc1N1CCOCC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654947163 1184218944 /nfs/dbraw/zinc/21/89/44/1184218944.db2.gz QTNUAVSTYWKGIM-WBVHZDCISA-N 0 3 387.484 0.990 20 0 GCADHN CN1C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)cc2C1=O ZINC000654946980 1184219315 /nfs/dbraw/zinc/21/93/15/1184219315.db2.gz PUKMSTXJHFPDOZ-JKSUJKDBSA-N 0 3 384.436 0.984 20 0 GCADHN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1C ZINC000654948274 1184219645 /nfs/dbraw/zinc/21/96/45/1184219645.db2.gz AIOXRHSDSRBYMC-ZIAGYGMSSA-N 0 3 376.461 0.009 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1S(N)(=O)=O ZINC000654946957 1184219939 /nfs/dbraw/zinc/21/99/39/1184219939.db2.gz OFMOENUBOSLCMI-LSDHHAIUSA-N 0 3 394.497 0.714 20 0 GCADHN O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654949523 1184220378 /nfs/dbraw/zinc/22/03/78/1184220378.db2.gz VZBNIHHJOCINIB-BQFCYCMXSA-N 0 3 386.452 0.983 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](O)C1)N1CCCC1 ZINC000969291078 1184241949 /nfs/dbraw/zinc/24/19/49/1184241949.db2.gz WZZKAPHQRUDWKZ-ASKKUZCQSA-N 0 3 379.501 0.508 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000041922212 1184260071 /nfs/dbraw/zinc/26/00/71/1184260071.db2.gz MANCDRBHSNYCEV-UHFFFAOYSA-N 0 3 384.502 0.475 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H]1C ZINC001020469670 1184267164 /nfs/dbraw/zinc/26/71/64/1184267164.db2.gz LDGMCESRABZNKZ-QHLBIMPKSA-N 0 3 376.457 0.418 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000655073691 1184276025 /nfs/dbraw/zinc/27/60/25/1184276025.db2.gz BBXXQSLPQBGCRZ-CWTRNNRKSA-N 0 3 379.407 0.891 20 0 GCADHN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC[C@]1(O)CN3CCC1CC3)C2=O ZINC000655073444 1184276833 /nfs/dbraw/zinc/27/68/33/1184276833.db2.gz BQXKGSWTUWHFGF-JZKQVHKSSA-N 0 3 392.500 0.306 20 0 GCADHN O=C(NCc1nnc(C2CCOCC2)[nH]1)NC1CCN([C@@H]2CCOC2)CC1 ZINC001687117891 1184277728 /nfs/dbraw/zinc/27/77/28/1184277728.db2.gz UDAZNNMSVNGRDA-OAHLLOKOSA-N 0 3 378.477 0.751 20 0 GCADHN COc1ccc(NC(=O)NC(=O)CSc2nnnn2CCN(C)C)cc1 ZINC000510090325 1184281607 /nfs/dbraw/zinc/28/16/07/1184281607.db2.gz ZYQZBGOWMCTULW-UHFFFAOYSA-N 0 3 379.446 0.684 20 0 GCADHN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)n(C)c2)C1 ZINC000655094431 1184282467 /nfs/dbraw/zinc/28/24/67/1184282467.db2.gz BIQSIENBXYHWHV-JQFCIGGWSA-N 0 3 398.529 0.193 20 0 GCADHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000510099599 1184300632 /nfs/dbraw/zinc/30/06/32/1184300632.db2.gz PDXFTZHSQOJCMD-JTQLQIEISA-N 0 3 399.502 0.001 20 0 GCADHN O=C([C@@H]1CNCc2ccccc21)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000579827585 1184302183 /nfs/dbraw/zinc/30/21/83/1184302183.db2.gz MGOGDRZUCAFSAH-GOSISDBHSA-N 0 3 386.477 0.802 20 0 GCADHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C[C@@H]3CNCCO3)C2)cc1 ZINC000430226338 1184304031 /nfs/dbraw/zinc/30/40/31/1184304031.db2.gz MFYWIMMGVUYTCS-DLBZAZTESA-N 0 3 395.525 0.890 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCOC[C@@H]2C2CCC2)cc1 ZINC000579829422 1184304083 /nfs/dbraw/zinc/30/40/83/1184304083.db2.gz JCCMQJMHRJWRBA-GOSISDBHSA-N 0 3 395.525 0.884 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)CN3CCCS3(=O)=O)cc2)CC1 ZINC000097492947 1184304919 /nfs/dbraw/zinc/30/49/19/1184304919.db2.gz FETNOKULHOYDBP-UHFFFAOYSA-N 0 3 380.514 0.086 20 0 GCADHN Cn1nccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC000969508322 1184330903 /nfs/dbraw/zinc/33/09/03/1184330903.db2.gz IGGLERPQINDJOG-ANQUJSFKSA-N 0 3 389.500 0.086 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@@H]1O)N1CCCC1 ZINC000969509317 1184332549 /nfs/dbraw/zinc/33/25/49/1184332549.db2.gz YELRTNIASLWYPC-ASKKUZCQSA-N 0 3 379.501 0.508 20 0 GCADHN Cn1cc([C@@H]2C[C@H]2C(=O)N2C[C@@H](NC(=O)C(C)(C)N3CCCC3)[C@@H](O)C2)cn1 ZINC000969509345 1184332619 /nfs/dbraw/zinc/33/26/19/1184332619.db2.gz YTMUDVYJFFMYHG-HZMVEIRTSA-N 0 3 389.500 0.086 20 0 GCADHN CSc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579853826 1184341807 /nfs/dbraw/zinc/34/18/07/1184341807.db2.gz CNSLNPFMVYDGBF-ZIAGYGMSSA-N 0 3 376.482 0.104 20 0 GCADHN CSc1cc(C)ccc1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579853824 1184342554 /nfs/dbraw/zinc/34/25/54/1184342554.db2.gz CNSLNPFMVYDGBF-KGLIPLIRSA-N 0 3 376.482 0.104 20 0 GCADHN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cs1 ZINC000579853651 1184342961 /nfs/dbraw/zinc/34/29/61/1184342961.db2.gz YAJHIPAMONRVLI-VXGBXAGGSA-N 0 3 379.486 0.441 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](O)C1)N1CCCC1 ZINC000969608962 1184356269 /nfs/dbraw/zinc/35/62/69/1184356269.db2.gz SLVPWMMBXRKLSI-NCOADZHNSA-N 0 3 379.501 0.364 20 0 GCADHN CC(=O)N[C@H](CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000579860352 1184379709 /nfs/dbraw/zinc/37/97/09/1184379709.db2.gz DLHCMMOWWUQKNN-BZUAXINKSA-N 0 3 378.860 0.678 20 0 GCADHN COCc1noc(CN2CCN(C(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)CC2)n1 ZINC000547707018 1184380456 /nfs/dbraw/zinc/38/04/56/1184380456.db2.gz NEAFBPJZHKIXSP-ZFWWWQNUSA-N 0 3 378.477 0.526 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000154355764 1184388295 /nfs/dbraw/zinc/38/82/95/1184388295.db2.gz IAYMCPNPJLQURH-PBHICJAKSA-N 0 3 379.480 0.925 20 0 GCADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CC4CC(C)(C)C4)C[C@@H]32)O1 ZINC001083191775 1184390171 /nfs/dbraw/zinc/39/01/71/1184390171.db2.gz QMNREKXKIMGMFU-WNRNVDISSA-N 0 3 393.528 0.970 20 0 GCADHN O=C(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC001772506123 1184392254 /nfs/dbraw/zinc/39/22/54/1184392254.db2.gz FYIMZFNRHIXSAL-FQEVSTJZSA-N 0 3 386.452 0.031 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2)CC1 ZINC000274823553 1184395505 /nfs/dbraw/zinc/39/55/05/1184395505.db2.gz PHZKSOPITMGJFO-MRXNPFEDSA-N 0 3 395.529 0.984 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccnn1Cc1ccccc1)CN1CCN(C)CC1 ZINC000154444335 1184399631 /nfs/dbraw/zinc/39/96/31/1184399631.db2.gz LIMRBHBFIFJONH-QGZVFWFLSA-N 0 3 398.511 0.870 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)NCCNS(=O)(=O)CC)c2)CC1 ZINC000274846889 1184402025 /nfs/dbraw/zinc/40/20/25/1184402025.db2.gz VMYUNEWFGQXSES-UHFFFAOYSA-N 0 3 383.518 0.889 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1Cc2ccccc2N(C)C[C@@H]1C ZINC000509710753 1184418094 /nfs/dbraw/zinc/41/80/94/1184418094.db2.gz DMTWGLCARUWWSS-INIZCTEOSA-N 0 3 376.501 0.938 20 0 GCADHN C[C@@H](CNC(=O)NCc1cccc(N2CCOCC2)n1)CN1CCN(C)CC1 ZINC000274955612 1184438367 /nfs/dbraw/zinc/43/83/67/1184438367.db2.gz PPLUEVORECFUCQ-KRWDZBQOSA-N 0 3 390.532 0.601 20 0 GCADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000246116825 1184466129 /nfs/dbraw/zinc/46/61/29/1184466129.db2.gz ACRGXMVHSOTVES-BBWFWOEESA-N 0 3 377.533 0.950 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000471222771 1184470333 /nfs/dbraw/zinc/47/03/33/1184470333.db2.gz LZUAVPRHICOZSU-OWCLPIDISA-N 0 3 390.550 0.071 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000246214474 1184478412 /nfs/dbraw/zinc/47/84/12/1184478412.db2.gz FEXFFWSXKXKFOX-QBPKDAKJSA-N 0 3 376.501 0.892 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000430295613 1184483999 /nfs/dbraw/zinc/48/39/99/1184483999.db2.gz HJJDBMGKPBXPCR-MSOLQXFVSA-N 0 3 375.469 0.980 20 0 GCADHN O=C(Cc1nc2ncccn2n1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000535630202 1184484725 /nfs/dbraw/zinc/48/47/25/1184484725.db2.gz IKVIJHWLYRYFEX-SJORKVTESA-N 0 3 380.452 0.666 20 0 GCADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000547759515 1184488322 /nfs/dbraw/zinc/48/83/22/1184488322.db2.gz UMCISYKLUVUAFY-HOCLYGCPSA-N 0 3 393.440 0.220 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(CC(C)C)nn2C)CC1 ZINC000077697563 1184492553 /nfs/dbraw/zinc/49/25/53/1184492553.db2.gz FTIJSBGTXWGHLJ-HNNXBMFYSA-N 0 3 378.521 0.699 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)N(C)C ZINC000275085396 1184501981 /nfs/dbraw/zinc/50/19/81/1184501981.db2.gz AXERLWBIZIDKED-GFCCVEGCSA-N 0 3 380.420 0.303 20 0 GCADHN COCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@H](C)N(C)C)ccc21 ZINC000275091032 1184505800 /nfs/dbraw/zinc/50/58/00/1184505800.db2.gz CIFSHSFLOIDXHG-ZDUSSCGKSA-N 0 3 376.457 0.617 20 0 GCADHN CC[C@@H]1CN(CCN2C(=O)CCC2=O)[C@H](CC)CN1CCN1C(=O)CCC1=O ZINC000533533118 1184513715 /nfs/dbraw/zinc/51/37/15/1184513715.db2.gz RSTVASLGGBZWPO-HZPDHXFCSA-N 0 3 392.500 0.459 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2CN(CCCC3CCOCC3)C[C@@H]21 ZINC001083194381 1184514973 /nfs/dbraw/zinc/51/49/73/1184514973.db2.gz LMXALISIZHMARU-YDZRNGNQSA-N 0 3 393.528 0.829 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1OC(C)C ZINC000651957757 1184522536 /nfs/dbraw/zinc/52/25/36/1184522536.db2.gz KSSUELKOFQYCPR-UHFFFAOYSA-N 0 3 390.484 0.953 20 0 GCADHN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651957867 1184523374 /nfs/dbraw/zinc/52/33/74/1184523374.db2.gz PNPHYNBFLAEMJT-UHFFFAOYSA-N 0 3 389.500 0.540 20 0 GCADHN CCn1cc(-c2nn(C)cc2C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000275165186 1184537646 /nfs/dbraw/zinc/53/76/46/1184537646.db2.gz QOUNZOBZLAPLPS-QGZVFWFLSA-N 0 3 399.499 0.682 20 0 GCADHN CCn1cc(-c2nn(C)cc2C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000275165185 1184537732 /nfs/dbraw/zinc/53/77/32/1184537732.db2.gz QOUNZOBZLAPLPS-KRWDZBQOSA-N 0 3 399.499 0.682 20 0 GCADHN C[C@@H](O)CN1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)C1 ZINC000275182325 1184542413 /nfs/dbraw/zinc/54/24/13/1184542413.db2.gz BAIBVGGVLPDVGJ-HZPDHXFCSA-N 0 3 385.530 0.703 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N(CCO)CCO ZINC000275215613 1184554795 /nfs/dbraw/zinc/55/47/95/1184554795.db2.gz ISHUSCVGDQBGNL-UHFFFAOYSA-N 0 3 381.498 0.030 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccccc2-n2nc(C)nc2C)CC1 ZINC000155226045 1184588064 /nfs/dbraw/zinc/58/80/64/1184588064.db2.gz DCSNJQNNUWZJCS-UHFFFAOYSA-N 0 3 399.499 0.576 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3nccnc3c2)CC1 ZINC000510195939 1184605564 /nfs/dbraw/zinc/60/55/64/1184605564.db2.gz YJGVFFQWTLOTFF-UHFFFAOYSA-N 0 3 398.467 0.581 20 0 GCADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2C1 ZINC001719581114 1184617100 /nfs/dbraw/zinc/61/71/00/1184617100.db2.gz VJAXEINCNLLTSL-AISVETHESA-N 0 3 393.528 0.687 20 0 GCADHN COc1ccc(OC)c(CN2CCN(CCC(=O)N3CCN(C)CC3)CC2)c1 ZINC000275345165 1184618113 /nfs/dbraw/zinc/61/81/13/1184618113.db2.gz YKFJGSXNZPYBJU-UHFFFAOYSA-N 0 3 390.528 0.986 20 0 GCADHN COCCNCC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000430390442 1184639719 /nfs/dbraw/zinc/63/97/19/1184639719.db2.gz DVTDTUPZXWQXQZ-UHFFFAOYSA-N 0 3 379.457 0.661 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1(C)C ZINC000275384347 1184646658 /nfs/dbraw/zinc/64/66/58/1184646658.db2.gz AEMSHIXAFASGDT-OXQOHEQNSA-N 0 3 375.517 0.982 20 0 GCADHN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CCN(C)C ZINC000275390967 1184650160 /nfs/dbraw/zinc/65/01/60/1184650160.db2.gz GNFCEGFYVFWBCN-UHFFFAOYSA-N 0 3 392.456 0.268 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000275393049 1184651300 /nfs/dbraw/zinc/65/13/00/1184651300.db2.gz GZDBFJHGRUMNAS-UHFFFAOYSA-N 0 3 384.502 0.722 20 0 GCADHN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CCNC(=O)C2CC2)C1 ZINC001167251814 1184666802 /nfs/dbraw/zinc/66/68/02/1184666802.db2.gz KVQJVEGOHFMYIM-OAHLLOKOSA-N 0 3 382.505 0.866 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000275439451 1184669961 /nfs/dbraw/zinc/66/99/61/1184669961.db2.gz QCMISKLEVGWQQK-UHFFFAOYSA-N 0 3 384.502 0.674 20 0 GCADHN CCNC(=O)CN1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000049794866 1184672333 /nfs/dbraw/zinc/67/23/33/1184672333.db2.gz FXSDMLFVPXFUCS-GOSISDBHSA-N 0 3 375.517 0.623 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 ZINC000275456756 1184676348 /nfs/dbraw/zinc/67/63/48/1184676348.db2.gz MMYJGECTBYFGQV-UHFFFAOYSA-N 0 3 377.489 0.791 20 0 GCADHN COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000275478745 1184683329 /nfs/dbraw/zinc/68/33/29/1184683329.db2.gz JBNSSPXZVLEJPL-LBPRGKRZSA-N 0 3 385.486 0.402 20 0 GCADHN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000430412528 1184687355 /nfs/dbraw/zinc/68/73/55/1184687355.db2.gz DUNLCWTYDWSGHZ-SJORKVTESA-N 0 3 375.469 0.812 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000547849343 1184717271 /nfs/dbraw/zinc/71/72/71/1184717271.db2.gz VUFUKMIEEDPVKT-UHFFFAOYSA-N 0 3 398.514 0.484 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)c(OC)c1OC ZINC000275576844 1184727655 /nfs/dbraw/zinc/72/76/55/1184727655.db2.gz CLIRXSPKNMHIDE-GXTWGEPZSA-N 0 3 395.431 0.697 20 0 GCADHN O=C(CNCC1(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)Nc1nncs1 ZINC001167285405 1184731410 /nfs/dbraw/zinc/73/14/10/1184731410.db2.gz VOFHIMQZTTVTSD-UPJWGTAASA-N 0 3 379.486 0.920 20 0 GCADHN CCN1CCN(CCC(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)CC1 ZINC000890858791 1184732269 /nfs/dbraw/zinc/73/22/69/1184732269.db2.gz GPYYGFLBOHTLFJ-UHFFFAOYSA-N 0 3 382.530 0.726 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@@H](C)C1 ZINC000579925593 1184735693 /nfs/dbraw/zinc/73/56/93/1184735693.db2.gz KAMUAQLANVSHFX-IKGGRYGDSA-N 0 3 378.517 0.646 20 0 GCADHN Cn1nccc1N1CCC[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1=O ZINC000332955437 1184748049 /nfs/dbraw/zinc/74/80/49/1184748049.db2.gz GIVXSSGEZDPUHM-HZPDHXFCSA-N 0 3 375.473 0.675 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000333004478 1184750006 /nfs/dbraw/zinc/75/00/06/1184750006.db2.gz MOSDOWBSQMJANO-IRXDYDNUSA-N 0 3 394.516 0.663 20 0 GCADHN COc1ccccc1CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668374828 1184779794 /nfs/dbraw/zinc/77/97/94/1184779794.db2.gz PAYHDPMDWBRMML-KRWDZBQOSA-N 0 3 375.469 0.723 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CC1(C)C ZINC000289196245 1184794974 /nfs/dbraw/zinc/79/49/74/1184794974.db2.gz RUIWAYXQVOKYTM-MSOLQXFVSA-N 0 3 388.512 0.775 20 0 GCADHN Cc1cccc(C[NH+]2CCN(Cc3nc4c([n-]3)n(C)c(=O)n(C)c4=O)CC2)c1 ZINC000025922601 1184798938 /nfs/dbraw/zinc/79/89/38/1184798938.db2.gz GNCYACKUGUAFRY-UHFFFAOYSA-N 0 3 382.468 0.587 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NC[C@H]3CCCN3C)CC2)C1 ZINC000332750451 1184803873 /nfs/dbraw/zinc/80/38/73/1184803873.db2.gz TXQJZGPXFVVFRL-KZNAEPCWSA-N 0 3 379.549 0.912 20 0 GCADHN CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000647087376 1184812517 /nfs/dbraw/zinc/81/25/17/1184812517.db2.gz QUGNBRJBSROYQN-HNNXBMFYSA-N 0 3 392.485 0.512 20 0 GCADHN CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C[C@@H]1COc2ccccc2O1 ZINC000155445124 1184817927 /nfs/dbraw/zinc/81/79/27/1184817927.db2.gz QOUXKNQEDCUVLA-CQSZACIVSA-N 0 3 399.451 0.596 20 0 GCADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000275611889 1184820138 /nfs/dbraw/zinc/82/01/38/1184820138.db2.gz ITIYAZVCZPGBPX-CVEARBPZSA-N 0 3 377.441 0.520 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CC3(C2)OC(=O)Nc2ccc(F)cc23)CC1=O ZINC000891013151 1184834544 /nfs/dbraw/zinc/83/45/44/1184834544.db2.gz WLXMOXIMTGDRDX-LBPRGKRZSA-N 0 3 390.415 0.835 20 0 GCADHN Cc1csc(CNC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1 ZINC000579983979 1184888132 /nfs/dbraw/zinc/88/81/32/1184888132.db2.gz LABORZMFYUSKAU-HNNXBMFYSA-N 0 3 379.530 0.695 20 0 GCADHN Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1O ZINC000970594383 1184894777 /nfs/dbraw/zinc/89/47/77/1184894777.db2.gz XYZQQVMUKKOVFF-GBOPCIDUSA-N 0 3 386.456 0.670 20 0 GCADHN NCc1cn([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(=O)CC4)C2)nn1 ZINC000655954321 1184895554 /nfs/dbraw/zinc/89/55/54/1184895554.db2.gz SRGBHXDNEBHCEK-AWEZNQCLSA-N 0 3 375.454 0.892 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000047119645 1184908114 /nfs/dbraw/zinc/90/81/14/1184908114.db2.gz LFYVPBLBDPFXAO-UHFFFAOYSA-N 0 3 391.516 0.696 20 0 GCADHN Cc1nn(Cc2nc(-c3ccc(N4CCCN(C)CC4)nc3)no2)c(=O)n1C ZINC000655976000 1184912395 /nfs/dbraw/zinc/91/23/95/1184912395.db2.gz UZIYWFRWJYAGJM-UHFFFAOYSA-N 0 3 384.444 0.525 20 0 GCADHN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000891081446 1184914511 /nfs/dbraw/zinc/91/45/11/1184914511.db2.gz DEPUGLJYORPRPP-JSGCOSHPSA-N 0 3 381.404 0.807 20 0 GCADHN COc1ccc([C@@H](CNC(=O)c2[nH]nc3c2CNCC3)N2CCOCC2)cc1 ZINC000188691424 1184920315 /nfs/dbraw/zinc/92/03/15/1184920315.db2.gz ZREYKGCBAIAYJI-GOSISDBHSA-N 0 3 385.468 0.867 20 0 GCADHN CC(C)(CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)N1CCCCC1 ZINC000642760474 1184922679 /nfs/dbraw/zinc/92/26/79/1184922679.db2.gz MSZDDYDPQISKSD-UHFFFAOYSA-N 0 3 376.457 0.870 20 0 GCADHN CCOC1CC(CNC(=O)NCCN2CCC(OC)CC2)(N2CCOCC2)C1 ZINC000683720610 1184930792 /nfs/dbraw/zinc/93/07/92/1184930792.db2.gz XQVNJMRYVSEMNJ-UHFFFAOYSA-N 0 3 398.548 0.666 20 0 GCADHN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)C1 ZINC000188700680 1184942037 /nfs/dbraw/zinc/94/20/37/1184942037.db2.gz YLIICNLNWQRMAO-GJZGRUSLSA-N 0 3 388.516 0.318 20 0 GCADHN COC1CCN(CCNC(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)CC1 ZINC000683726730 1184942722 /nfs/dbraw/zinc/94/27/22/1184942722.db2.gz LQFFMCOWWLDTMW-UHFFFAOYSA-N 0 3 384.502 0.552 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CCSC1 ZINC000275707027 1184944815 /nfs/dbraw/zinc/94/48/15/1184944815.db2.gz SBITZTBAAAURMK-GOSISDBHSA-N 0 3 379.482 0.956 20 0 GCADHN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)O2)CO1 ZINC000891109673 1184957762 /nfs/dbraw/zinc/95/77/62/1184957762.db2.gz KPCRLVDMDDLDDI-PDOICOKGSA-N 0 3 394.516 0.661 20 0 GCADHN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)O2)CO1 ZINC000891109680 1184957852 /nfs/dbraw/zinc/95/78/52/1184957852.db2.gz KPCRLVDMDDLDDI-WOCWXWTJSA-N 0 3 394.516 0.661 20 0 GCADHN Cn1c2ncn(CCC(=O)C(C#N)c3nc4ccccc4o3)c2c(=O)n(C)c1=O ZINC000041543077 1184961210 /nfs/dbraw/zinc/96/12/10/1184961210.db2.gz DFJKNOYIXQPADT-LLVKDONJSA-N 0 3 392.375 0.841 20 0 GCADHN O=C(CN1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1)N1CCc2ccccc21 ZINC000188731883 1184970135 /nfs/dbraw/zinc/97/01/35/1184970135.db2.gz VRLOCEXZAOKUPQ-UHFFFAOYSA-N 0 3 394.479 0.403 20 0 GCADHN COc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1F ZINC000275731979 1184989298 /nfs/dbraw/zinc/98/92/98/1184989298.db2.gz VNIBSQAVAVLEGM-OAHLLOKOSA-N 0 3 392.431 0.538 20 0 GCADHN O=S(=O)(NC[C@H]1CCN(C2CC2)C1)c1ccccc1S(=O)(=O)NC1CC1 ZINC000548043442 1185012336 /nfs/dbraw/zinc/01/23/36/1185012336.db2.gz HICIFEUBVBZVTB-CYBMUJFWSA-N 0 3 399.538 0.890 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](COC)[C@@H]2CCCOC2)CC1 ZINC000891182147 1185019013 /nfs/dbraw/zinc/01/90/13/1185019013.db2.gz CJJKBCFMMYZSDX-IAGOWNOFSA-N 0 3 384.521 0.624 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)CC2(CCCCC2)O1 ZINC000656087290 1185025514 /nfs/dbraw/zinc/02/55/14/1185025514.db2.gz ROCGYEKKNFGFDB-INIZCTEOSA-N 0 3 394.516 0.169 20 0 GCADHN CN(C)CCn1nccc1NC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001670516908 1185031165 /nfs/dbraw/zinc/03/11/65/1185031165.db2.gz HCWAFCZIWBAKGP-LSDHHAIUSA-N 0 3 399.517 0.645 20 0 GCADHN O=C(NCCCOc1ccccc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000668407321 1185078561 /nfs/dbraw/zinc/07/85/61/1185078561.db2.gz SAYNWMYBIMOXHF-QGZVFWFLSA-N 0 3 375.469 0.941 20 0 GCADHN Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CCN1CC=CCC1 ZINC001707879835 1185112540 /nfs/dbraw/zinc/11/25/40/1185112540.db2.gz SWNGDFVLFYOMOI-LJQANCHMSA-N 0 3 387.488 0.663 20 0 GCADHN C#CCN1CCC(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1 ZINC000050025989 1185117278 /nfs/dbraw/zinc/11/72/78/1185117278.db2.gz XJRPDVCMJHQDNH-UHFFFAOYSA-N 0 3 391.497 0.394 20 0 GCADHN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580218083 1185122701 /nfs/dbraw/zinc/12/27/01/1185122701.db2.gz QAELZSPHYRWPMT-OAGGEKHMSA-N 0 3 392.887 0.548 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)CCn3cnc4sccc4c3=O)C2)nn1 ZINC000580310918 1185151298 /nfs/dbraw/zinc/15/12/98/1185151298.db2.gz NVJYINKTGLQDJY-CYBMUJFWSA-N 0 3 387.469 0.762 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCN(CC)CC2)cc1 ZINC000071004231 1185153871 /nfs/dbraw/zinc/15/38/71/1185153871.db2.gz OVSCBBWMCQLSIB-HNNXBMFYSA-N 0 3 389.500 0.517 20 0 GCADHN CCOC(=O)[C@]1(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CCc2ccccc21 ZINC000610427812 1185171322 /nfs/dbraw/zinc/17/13/22/1185171322.db2.gz DSDBEVOCYQWWAM-KKSFZXQISA-N 0 3 387.480 0.918 20 0 GCADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)CCO2 ZINC000891245681 1185176272 /nfs/dbraw/zinc/17/62/72/1185176272.db2.gz FMNMQWQXNBZGEH-RQMAVPSVSA-N 0 3 396.488 0.249 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000510323145 1185180373 /nfs/dbraw/zinc/18/03/73/1185180373.db2.gz NDHLJYUSZLLCKA-OAHLLOKOSA-N 0 3 390.550 0.457 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000510323130 1185180694 /nfs/dbraw/zinc/18/06/94/1185180694.db2.gz NDHLJYUSZLLCKA-HNNXBMFYSA-N 0 3 390.550 0.457 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000275859010 1185188652 /nfs/dbraw/zinc/18/86/52/1185188652.db2.gz MHYXLIGYQIXGIT-UHFFFAOYSA-N 0 3 390.419 0.036 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@H]1OC ZINC000580362226 1185202566 /nfs/dbraw/zinc/20/25/66/1185202566.db2.gz HLXYSQZPLGELNS-IAGOWNOFSA-N 0 3 382.549 0.792 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000580405828 1185221021 /nfs/dbraw/zinc/22/10/21/1185221021.db2.gz ZTZFOEHATPIQMD-MRXNPFEDSA-N 0 3 390.484 0.783 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000580413201 1185223549 /nfs/dbraw/zinc/22/35/49/1185223549.db2.gz PEIDERAVGQQNBH-PDOICOKGSA-N 0 3 379.501 0.868 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCOC3(CCC3)C2)CC1 ZINC000580422899 1185228322 /nfs/dbraw/zinc/22/83/22/1185228322.db2.gz UHQCRJISAUOGIP-SJORKVTESA-N 0 3 380.533 0.594 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1 ZINC000275889068 1185236947 /nfs/dbraw/zinc/23/69/47/1185236947.db2.gz HHZSLOSDGJQADJ-CVEARBPZSA-N 0 3 388.468 0.835 20 0 GCADHN O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000580464678 1185239041 /nfs/dbraw/zinc/23/90/41/1185239041.db2.gz USBCZKOVDMZYLF-GOSISDBHSA-N 0 3 399.488 0.457 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000580467485 1185240418 /nfs/dbraw/zinc/24/04/18/1185240418.db2.gz QVZFTUUTSOMFHM-QGZVFWFLSA-N 0 3 376.505 0.897 20 0 GCADHN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CN(C)C)cc2)C(=O)N1c1cnn(C)c1 ZINC000683944586 1185240586 /nfs/dbraw/zinc/24/05/86/1185240586.db2.gz BJLIJNRCPWIGCW-DYVFJYSZSA-N 0 3 391.497 0.954 20 0 GCADHN CC(C)Oc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000580467395 1185240859 /nfs/dbraw/zinc/24/08/59/1185240859.db2.gz XSEYNZSXHIKFMF-LXZKKBNFSA-N 0 3 388.468 0.421 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000275899017 1185253566 /nfs/dbraw/zinc/25/35/66/1185253566.db2.gz IYHQHPGLSLTCIW-UHFFFAOYSA-N 0 3 375.473 0.718 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cn1 ZINC000275911022 1185269938 /nfs/dbraw/zinc/26/99/38/1185269938.db2.gz GNOKTFCHDMGLAF-UHFFFAOYSA-N 0 3 377.489 0.903 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)CCC(=O)NC)c(C)c2)CC1 ZINC000275911954 1185270645 /nfs/dbraw/zinc/27/06/45/1185270645.db2.gz XNDGQXQYDQBVPB-UHFFFAOYSA-N 0 3 389.500 0.670 20 0 GCADHN COC(=O)c1cccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000275916202 1185271172 /nfs/dbraw/zinc/27/11/72/1185271172.db2.gz GZNYCNUEYVUYPP-UHFFFAOYSA-N 0 3 376.457 0.508 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000275917818 1185275514 /nfs/dbraw/zinc/27/55/14/1185275514.db2.gz VHPKEBYJQWDDOQ-UHFFFAOYSA-N 0 3 396.513 0.522 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCc1nnc2n1CCCCC2 ZINC000580562143 1185276555 /nfs/dbraw/zinc/27/65/55/1185276555.db2.gz OOCKTDCSPCTMNL-CVEARBPZSA-N 0 3 388.516 0.748 20 0 GCADHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OC)c1OC ZINC000580572367 1185277601 /nfs/dbraw/zinc/27/76/01/1185277601.db2.gz UFPDLQZJOBORSE-QWHCGFSZSA-N 0 3 378.429 0.166 20 0 GCADHN COc1ccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC(F)F ZINC000580571989 1185278608 /nfs/dbraw/zinc/27/86/08/1185278608.db2.gz KKJVTBOFGIJEJC-QWHCGFSZSA-N 0 3 398.410 0.793 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3(Cc4ccc(F)cc4)CC3)CCN2C1=O ZINC000580571966 1185278767 /nfs/dbraw/zinc/27/87/67/1185278767.db2.gz JXXSZIGKURKJQF-JKSUJKDBSA-N 0 3 388.443 0.035 20 0 GCADHN CCOCCOCc1cccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000580580083 1185279543 /nfs/dbraw/zinc/27/95/43/1185279543.db2.gz ABKQBERQDZVUIU-ZWKOTPCHSA-N 0 3 390.484 0.693 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)CC1 ZINC000580582237 1185281139 /nfs/dbraw/zinc/28/11/39/1185281139.db2.gz PANNREOGALVOJI-JOCHJYFZSA-N 0 3 398.507 0.601 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1C ZINC000275922905 1185286179 /nfs/dbraw/zinc/28/61/79/1185286179.db2.gz MLZLOMJVDLBILK-UHFFFAOYSA-N 0 3 382.486 0.394 20 0 GCADHN CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(O)CN3CCC2CC3)cc1 ZINC000580665479 1185301093 /nfs/dbraw/zinc/30/10/93/1185301093.db2.gz JQKDBBXPVSOEMK-SFHVURJKSA-N 0 3 381.498 0.100 20 0 GCADHN COc1cccc([C@@H](CNC(=O)NCCNS(C)(=O)=O)N2CCCC2)c1 ZINC000047986434 1185303959 /nfs/dbraw/zinc/30/39/59/1185303959.db2.gz UXAYNAIQLIIPDX-MRXNPFEDSA-N 0 3 384.502 0.681 20 0 GCADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cn1 ZINC000275934846 1185318254 /nfs/dbraw/zinc/31/82/54/1185318254.db2.gz WONRVVXEGVSGIX-GUYCJALGSA-N 0 3 386.456 0.375 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC000275943224 1185328866 /nfs/dbraw/zinc/32/88/66/1185328866.db2.gz PNTHAOVTOBQUHP-UHFFFAOYSA-N 0 3 382.486 0.428 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000610461425 1185330636 /nfs/dbraw/zinc/33/06/36/1185330636.db2.gz UWGLGOOSKFNRNL-MRXNPFEDSA-N 0 3 384.521 0.766 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000580752140 1185340213 /nfs/dbraw/zinc/34/02/13/1185340213.db2.gz SXTXHLCXKCJGJH-QGZVFWFLSA-N 0 3 397.564 0.681 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000275967845 1185343085 /nfs/dbraw/zinc/34/30/85/1185343085.db2.gz UIQRWDGVKMHBPO-CQSZACIVSA-N 0 3 386.452 0.383 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)NCCS(=O)(=O)NC)cc2)CC1 ZINC000275967720 1185343293 /nfs/dbraw/zinc/34/32/93/1185343293.db2.gz WSEDGZVRIGAVPW-UHFFFAOYSA-N 0 3 397.545 0.173 20 0 GCADHN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000275973368 1185346280 /nfs/dbraw/zinc/34/62/80/1185346280.db2.gz VADVQTLZAZJVSI-UHFFFAOYSA-N 0 3 375.473 0.678 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000580776759 1185351753 /nfs/dbraw/zinc/35/17/53/1185351753.db2.gz XIGVHWHZUQUZAH-MRXNPFEDSA-N 0 3 382.530 0.416 20 0 GCADHN CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656295813 1185353198 /nfs/dbraw/zinc/35/31/98/1185353198.db2.gz NBTODQZVLIKZFK-MSOLQXFVSA-N 0 3 386.496 0.894 20 0 GCADHN O=C(C[C@H]1CNCCO1)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000430514508 1185364264 /nfs/dbraw/zinc/36/42/64/1185364264.db2.gz KNBSUWLZAZHASK-MAUKXSAKSA-N 0 3 389.452 0.312 20 0 GCADHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000548136031 1185373474 /nfs/dbraw/zinc/37/34/74/1185373474.db2.gz MRKLHFBZENCVNO-UHFFFAOYSA-N 0 3 396.513 0.664 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)N1CCC(C)CC1 ZINC000656304619 1185378718 /nfs/dbraw/zinc/37/87/18/1185378718.db2.gz CWQBDNPFXIATTO-XDNAFOTISA-N 0 3 382.549 0.837 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656314640 1185396910 /nfs/dbraw/zinc/39/69/10/1185396910.db2.gz ADDRAEUOHGRXHH-ZJPYXAASSA-N 0 3 382.549 0.981 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656314798 1185398227 /nfs/dbraw/zinc/39/82/27/1185398227.db2.gz DBDUNTMRXAZNDH-XQQFMLRXSA-N 0 3 390.406 0.399 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)s1 ZINC000656324674 1185416927 /nfs/dbraw/zinc/41/69/27/1185416927.db2.gz XMZKCLJDKUTTEZ-KGLIPLIRSA-N 0 3 399.538 0.901 20 0 GCADHN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650300462 1185419769 /nfs/dbraw/zinc/41/97/69/1185419769.db2.gz DQHXBAMFHVBWKM-HXUWFJFHSA-N 0 3 388.512 0.602 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N[C@@H](C)C3=CCN(C)CC3)CC2)nc1 ZINC000656336207 1185430808 /nfs/dbraw/zinc/43/08/08/1185430808.db2.gz XLHZKPAHBKFZCW-HNNXBMFYSA-N 0 3 387.484 0.921 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)n[nH]1 ZINC000656335233 1185432108 /nfs/dbraw/zinc/43/21/08/1185432108.db2.gz LITSSCJMSWOGFW-DLBZAZTESA-N 0 3 388.516 0.936 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337539 1185434314 /nfs/dbraw/zinc/43/43/14/1185434314.db2.gz UNMGXNQVTGSWPL-WCXIOVBPSA-N 0 3 382.549 0.837 20 0 GCADHN CS(=O)(=O)c1ccccc1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656338334 1185435278 /nfs/dbraw/zinc/43/52/78/1185435278.db2.gz GLOLBFYKADNDQL-HZPDHXFCSA-N 0 3 393.509 0.839 20 0 GCADHN COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000891350757 1185445149 /nfs/dbraw/zinc/44/51/49/1185445149.db2.gz PJPMHLPUEHXDHK-CVEARBPZSA-N 0 3 382.505 0.471 20 0 GCADHN O=C1NCC2(CCOCC2)[C@@H]1NCCOCCN1C(=O)c2ccccc2C1=O ZINC000933035443 1185446063 /nfs/dbraw/zinc/44/60/63/1185446063.db2.gz LAVPXAKTOJULGF-MRXNPFEDSA-N 0 3 387.436 0.184 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000610472454 1185446111 /nfs/dbraw/zinc/44/61/11/1185446111.db2.gz DCAUETMTVNQXHA-MRXNPFEDSA-N 0 3 375.473 0.837 20 0 GCADHN Cn1c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2nc1C1CC1 ZINC000580962190 1185446637 /nfs/dbraw/zinc/44/66/37/1185446637.db2.gz BOGLGDGNUQZNJJ-ZIAGYGMSSA-N 0 3 396.451 0.160 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000656354411 1185452169 /nfs/dbraw/zinc/45/21/69/1185452169.db2.gz CHEDSEZUOOZDSY-KGLIPLIRSA-N 0 3 376.423 0.826 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCOc2c(OC)cccc21 ZINC000656356680 1185457276 /nfs/dbraw/zinc/45/72/76/1185457276.db2.gz GNDRUSWPVHTUIL-OAHLLOKOSA-N 0 3 379.457 0.672 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000656356829 1185457474 /nfs/dbraw/zinc/45/74/74/1185457474.db2.gz XHHVVNUNGLZBEZ-IRXDYDNUSA-N 0 3 376.501 0.590 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000580979967 1185460970 /nfs/dbraw/zinc/46/09/70/1185460970.db2.gz RMNZKOJUZNVDAJ-STQMWFEESA-N 0 3 397.438 0.357 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)on1 ZINC000656359163 1185461159 /nfs/dbraw/zinc/46/11/59/1185461159.db2.gz OFLSVRIKZIOUDH-QZTJIDSGSA-N 0 3 389.500 0.760 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC2(CCOCC2)O1 ZINC000656358472 1185462004 /nfs/dbraw/zinc/46/20/04/1185462004.db2.gz RHZXJZDYNZRJQJ-ZACQAIPSSA-N 0 3 379.501 0.916 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC2(CCOCC2)O1 ZINC000656358468 1185462148 /nfs/dbraw/zinc/46/21/48/1185462148.db2.gz RHZXJZDYNZRJQJ-BRWVUGGUSA-N 0 3 379.501 0.916 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@H]34)CC2)no1 ZINC000656361136 1185464256 /nfs/dbraw/zinc/46/42/56/1185464256.db2.gz YREVLJCGXCMGKQ-QZTJIDSGSA-N 0 3 389.500 0.760 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC(OCCOC)C3)cc2)CC1 ZINC000785032594 1185465998 /nfs/dbraw/zinc/46/59/98/1185465998.db2.gz BQUWMLYUBGOBFN-UHFFFAOYSA-N 0 3 390.484 0.641 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCNC2(CCCCC2)C1 ZINC000656364070 1185471044 /nfs/dbraw/zinc/47/10/44/1185471044.db2.gz BYQDHLPHEFXZPY-CQSZACIVSA-N 0 3 397.545 0.838 20 0 GCADHN CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000581029841 1185471959 /nfs/dbraw/zinc/47/19/59/1185471959.db2.gz TWTJBZHDVSVHGP-CVEARBPZSA-N 0 3 385.505 0.302 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2nnc(COc3ccccc3)[n-]2)C[C@@H](C)O1 ZINC000581067653 1185482672 /nfs/dbraw/zinc/48/26/72/1185482672.db2.gz MJFGXKJVWWIGPH-OAGGEKHMSA-N 0 3 375.473 0.943 20 0 GCADHN C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2nnc(COc3ccccc3)[n-]2)C[C@H](C)O1 ZINC000581067654 1185482684 /nfs/dbraw/zinc/48/26/84/1185482684.db2.gz MJFGXKJVWWIGPH-OWCLPIDISA-N 0 3 375.473 0.943 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C3CC3)CCN2C1=O ZINC000581082386 1185489062 /nfs/dbraw/zinc/48/90/62/1185489062.db2.gz JGYQBGFQWRMHJS-DAYGRLMNSA-N 0 3 386.452 0.862 20 0 GCADHN Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000684144739 1185496654 /nfs/dbraw/zinc/49/66/54/1185496654.db2.gz LUQXYFSOULZPAB-GJZGRUSLSA-N 0 3 375.473 0.853 20 0 GCADHN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000684144738 1185497154 /nfs/dbraw/zinc/49/71/54/1185497154.db2.gz LUQXYFSOULZPAB-CABCVRRESA-N 0 3 375.473 0.853 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c1C ZINC000276029909 1185506040 /nfs/dbraw/zinc/50/60/40/1185506040.db2.gz IJWBFMLADZQUIA-ZDUSSCGKSA-N 0 3 394.497 0.608 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1 ZINC000156010233 1185510817 /nfs/dbraw/zinc/51/08/17/1185510817.db2.gz FVINXSKXNXGPND-CQSZACIVSA-N 0 3 396.557 0.954 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000581185159 1185524215 /nfs/dbraw/zinc/52/42/15/1185524215.db2.gz CPBZZOBIRQEPSR-RLFYNMQTSA-N 0 3 379.457 0.821 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000581185158 1185524542 /nfs/dbraw/zinc/52/45/42/1185524542.db2.gz CPBZZOBIRQEPSR-MPGHIAIKSA-N 0 3 379.457 0.821 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)CCN2C1=O ZINC000581202307 1185528674 /nfs/dbraw/zinc/52/86/74/1185528674.db2.gz LXOGUAUPVUZZOK-OTWHNJEPSA-N 0 3 392.459 0.928 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)CCN2C1=O ZINC000581202308 1185528824 /nfs/dbraw/zinc/52/88/24/1185528824.db2.gz LXOGUAUPVUZZOK-QRVBRYPASA-N 0 3 392.459 0.928 20 0 GCADHN CCc1ccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1S(N)(=O)=O ZINC000276077856 1185550292 /nfs/dbraw/zinc/55/02/92/1185550292.db2.gz LYVXWFWGNUOFBL-GFCCVEGCSA-N 0 3 394.497 0.602 20 0 GCADHN CCNS(=O)(=O)c1cccc(CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581247227 1185553555 /nfs/dbraw/zinc/55/35/55/1185553555.db2.gz QTWZSLJPMCNQAR-UXLLHSPISA-N 0 3 385.530 0.545 20 0 GCADHN C[C@H](CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)CN1CCOCC1 ZINC000156091646 1185560733 /nfs/dbraw/zinc/56/07/33/1185560733.db2.gz IWBGWCPATKONHQ-QGZVFWFLSA-N 0 3 390.532 0.601 20 0 GCADHN CSc1ccc([C@@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000581262535 1185560902 /nfs/dbraw/zinc/56/09/02/1185560902.db2.gz XRAVPOHYTAHSGK-KYOSRNDESA-N 0 3 376.482 0.356 20 0 GCADHN C[C@@H](CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)CN1CCOCC1 ZINC000156091533 1185561041 /nfs/dbraw/zinc/56/10/41/1185561041.db2.gz IWBGWCPATKONHQ-KRWDZBQOSA-N 0 3 390.532 0.601 20 0 GCADHN CSc1ccc([C@@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000581262539 1185561825 /nfs/dbraw/zinc/56/18/25/1185561825.db2.gz XRAVPOHYTAHSGK-UXIGCNINSA-N 0 3 376.482 0.356 20 0 GCADHN NC(=O)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000581269564 1185564020 /nfs/dbraw/zinc/56/40/20/1185564020.db2.gz WJIIJBNPTYTVMO-KRWDZBQOSA-N 0 3 388.468 0.874 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1=O ZINC000510380792 1185576819 /nfs/dbraw/zinc/57/68/19/1185576819.db2.gz OPIWPHJBRIPSIC-AWEZNQCLSA-N 0 3 387.440 0.087 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1=O ZINC000510380793 1185577082 /nfs/dbraw/zinc/57/70/82/1185577082.db2.gz OPIWPHJBRIPSIC-CQSZACIVSA-N 0 3 387.440 0.087 20 0 GCADHN NS(=O)(=O)c1ccc(N2CCN(C[C@@H]3CNc4ccnn4C3)CC2)cc1 ZINC000684195207 1185590800 /nfs/dbraw/zinc/59/08/00/1185590800.db2.gz MWJLHYVKYABOIP-AWEZNQCLSA-N 0 3 376.486 0.394 20 0 GCADHN CO[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000276133184 1185593129 /nfs/dbraw/zinc/59/31/29/1185593129.db2.gz LXKHHIBHAQEYGR-RYUDHWBXSA-N 0 3 378.429 0.634 20 0 GCADHN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[C@H]1CO ZINC000276144959 1185607544 /nfs/dbraw/zinc/60/75/44/1185607544.db2.gz CVUFQQURMBDCLE-YOEHRIQHSA-N 0 3 399.488 0.361 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CCNCc1nnc(C2CC2)[nH]1 ZINC001104346921 1185620203 /nfs/dbraw/zinc/62/02/03/1185620203.db2.gz KYBBJYIRLLRMSJ-MUIFIZLQSA-N 0 3 390.532 0.975 20 0 GCADHN COc1ccc(CNCC[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001104347194 1185621020 /nfs/dbraw/zinc/62/10/20/1185621020.db2.gz SEZOXLHRXUKJTF-YFHUEUNASA-N 0 3 391.516 0.779 20 0 GCADHN CC(C)NC(=S)N1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001279108394 1185672013 /nfs/dbraw/zinc/67/20/13/1185672013.db2.gz SNJZZEHISMAUTO-IBGZPJMESA-N 0 3 381.590 0.831 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C[C@H]1N1CCCC1 ZINC000276248820 1185708110 /nfs/dbraw/zinc/70/81/10/1185708110.db2.gz PJPYMWRAALHZSQ-IAGOWNOFSA-N 0 3 389.525 0.670 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c(C)cc1C ZINC000276249729 1185708393 /nfs/dbraw/zinc/70/83/93/1185708393.db2.gz CYYTWYFOSJEZOE-UHFFFAOYSA-N 0 3 390.484 0.782 20 0 GCADHN O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CCn2c(nnc2C2CC2)C1 ZINC000581474604 1185710601 /nfs/dbraw/zinc/71/06/01/1185710601.db2.gz RIUCLLJDVMTRJS-UHFFFAOYSA-N 0 3 386.500 0.975 20 0 GCADHN Cc1cnc(Cl)c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000276299981 1185722359 /nfs/dbraw/zinc/72/23/59/1185722359.db2.gz DVFFZTMRNJQIOG-AWEZNQCLSA-N 0 3 393.875 0.747 20 0 GCADHN N[C@H](C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)C1CCC1 ZINC000581485308 1185724915 /nfs/dbraw/zinc/72/49/15/1185724915.db2.gz JPRXCQBADRZUGB-INIZCTEOSA-N 0 3 394.497 0.639 20 0 GCADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCCc1nnc2ccccn21 ZINC000581489178 1185726610 /nfs/dbraw/zinc/72/66/10/1185726610.db2.gz OQRCCBZQTBYXIE-QGZVFWFLSA-N 0 3 392.463 0.863 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccn(C3CCCC3)n2)CC1=O ZINC000581504615 1185731554 /nfs/dbraw/zinc/73/15/54/1185731554.db2.gz ZSNIAAWXRVBQEZ-HNNXBMFYSA-N 0 3 377.489 0.907 20 0 GCADHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3nnnn3CCOCC(F)(F)F)[C@@H]2C1 ZINC000581511838 1185733902 /nfs/dbraw/zinc/73/39/02/1185733902.db2.gz FFKXOORSSKIIMJ-BFHYXJOUSA-N 0 3 390.410 0.989 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1C(N)=O ZINC000581523812 1185742029 /nfs/dbraw/zinc/74/20/29/1185742029.db2.gz WTBUEVBARDIOGR-CYBMUJFWSA-N 0 3 376.457 0.969 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](CO)C3CC3)cc2)CC1 ZINC000581541373 1185751434 /nfs/dbraw/zinc/75/14/34/1185751434.db2.gz SBIPBGYKKNHWGS-GOSISDBHSA-N 0 3 388.512 0.897 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](CO)C3CC3)cc2)CC1 ZINC000581541374 1185751520 /nfs/dbraw/zinc/75/15/20/1185751520.db2.gz SBIPBGYKKNHWGS-SFHVURJKSA-N 0 3 388.512 0.897 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)N[C@H]1CCOc2ccccc21 ZINC000430611001 1185753180 /nfs/dbraw/zinc/75/31/80/1185753180.db2.gz NBNOWRJVQSLTPA-WMZOPIPTSA-N 0 3 386.496 0.770 20 0 GCADHN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430610290 1185755884 /nfs/dbraw/zinc/75/58/84/1185755884.db2.gz KEUPWICKKHZIPZ-IXDOHACOSA-N 0 3 393.532 0.535 20 0 GCADHN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430610154 1185758295 /nfs/dbraw/zinc/75/82/95/1185758295.db2.gz KEUPWICKKHZIPZ-BRWVUGGUSA-N 0 3 393.532 0.535 20 0 GCADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)CC2 ZINC000581573582 1185767199 /nfs/dbraw/zinc/76/71/99/1185767199.db2.gz DABVSWWCDLAAGV-AWEZNQCLSA-N 0 3 392.504 0.188 20 0 GCADHN C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430614940 1185769873 /nfs/dbraw/zinc/76/98/73/1185769873.db2.gz ANXDAKAQJYOEPZ-CEXWTWQISA-N 0 3 394.560 0.842 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000276375914 1185778526 /nfs/dbraw/zinc/77/85/26/1185778526.db2.gz HNUJGEIQAODLDG-INIZCTEOSA-N 0 3 383.474 0.089 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccn4ccnc4c3)C2)CC1 ZINC000581626128 1185792146 /nfs/dbraw/zinc/79/21/46/1185792146.db2.gz WKAIJVBVEKYZHJ-GOSISDBHSA-N 0 3 398.511 0.577 20 0 GCADHN CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000581629102 1185795125 /nfs/dbraw/zinc/79/51/25/1185795125.db2.gz FPRPNWUFBDPLBL-SJORKVTESA-N 0 3 394.516 0.073 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000430620686 1185797072 /nfs/dbraw/zinc/79/70/72/1185797072.db2.gz COLSEDINKHJCEU-QZTJIDSGSA-N 0 3 386.496 0.250 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)cnc2Cl)CC1 ZINC000276409262 1185801494 /nfs/dbraw/zinc/80/14/94/1185801494.db2.gz ROKLXVHHUYAKIV-UHFFFAOYSA-N 0 3 395.891 0.995 20 0 GCADHN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cc12 ZINC000581676039 1185835385 /nfs/dbraw/zinc/83/53/85/1185835385.db2.gz LQLJZGFVPBOLLF-WXHSDQCUSA-N 0 3 379.486 0.195 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)c3ncnn3C)c2)CC1 ZINC000276479961 1185835539 /nfs/dbraw/zinc/83/55/39/1185835539.db2.gz NYCQHKSGKDDLLD-AWEZNQCLSA-N 0 3 385.472 0.773 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NC(=O)NC1CCCCC1 ZINC000430637401 1185841231 /nfs/dbraw/zinc/84/12/31/1185841231.db2.gz BAXKNLHRZBDLSB-HNNXBMFYSA-N 0 3 379.505 0.289 20 0 GCADHN CO[C@@H]1CC[C@H](NC(=O)C(=O)N(C)C2CCN(CCn3cccn3)CC2)C1 ZINC000581692753 1185849749 /nfs/dbraw/zinc/84/97/49/1185849749.db2.gz PILZJZMDHNAYMY-DOTOQJQBSA-N 0 3 377.489 0.490 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CNC2([C@H]3CCCCO3)CC2)CC1 ZINC000933377155 1185854498 /nfs/dbraw/zinc/85/44/98/1185854498.db2.gz GEIIGMWGFQROGF-MRXNPFEDSA-N 0 3 380.533 0.737 20 0 GCADHN O=C(CNC1([C@H]2CCCCO2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000933377118 1185855015 /nfs/dbraw/zinc/85/50/15/1185855015.db2.gz DVACMGMMUOLRJU-HZPDHXFCSA-N 0 3 385.530 0.009 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000276517277 1185858509 /nfs/dbraw/zinc/85/85/09/1185858509.db2.gz YIZIRFLZRDBSRV-OLZOCXBDSA-N 0 3 379.461 0.772 20 0 GCADHN Cc1c(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cccc1S(=O)(=O)N(C)C ZINC000581708757 1185859683 /nfs/dbraw/zinc/85/96/83/1185859683.db2.gz ZOGBFBMFTPEPSR-CYBMUJFWSA-N 0 3 396.513 0.642 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H](CO)COC(C)C ZINC001211518070 1185866436 /nfs/dbraw/zinc/86/64/36/1185866436.db2.gz HOTPEDNZSKOANW-WDEREUQCSA-N 0 3 379.397 0.918 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000656890036 1185870665 /nfs/dbraw/zinc/87/06/65/1185870665.db2.gz DPRVWJCFENFCLH-KSZLIROESA-N 0 3 391.578 0.716 20 0 GCADHN O=C(CN[C@]12C[C@H]1COC21CCC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000933393832 1185872441 /nfs/dbraw/zinc/87/24/41/1185872441.db2.gz KZEXJKHRZNUHME-YIOZNXECSA-N 0 3 398.525 0.482 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NCCCN2CCCCCC2=O)CC1 ZINC000670638492 1185874783 /nfs/dbraw/zinc/87/47/83/1185874783.db2.gz WPESNIHRHAMRQX-UHFFFAOYSA-N 0 3 382.505 0.122 20 0 GCADHN CCN1CCN(CCNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CC(C)C)CC1 ZINC000581757670 1185882688 /nfs/dbraw/zinc/88/26/88/1185882688.db2.gz SKHRRTNNMZFLBB-KRWDZBQOSA-N 0 3 378.521 0.237 20 0 GCADHN COC(=O)C1CCN(C(=O)CN[C@](C)(CO)Cc2ccc(OC)cc2)CC1 ZINC000933424776 1185885791 /nfs/dbraw/zinc/88/57/91/1185885791.db2.gz SMGJCHHVHMEHJL-FQEVSTJZSA-N 0 3 378.469 0.990 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCc2sc(CN)nc2C1 ZINC000891481802 1185886964 /nfs/dbraw/zinc/88/69/64/1185886964.db2.gz HFACGNCUOOPMIY-AWEZNQCLSA-N 0 3 394.545 0.612 20 0 GCADHN CN1CCN(CCCNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 ZINC000097028079 1185888043 /nfs/dbraw/zinc/88/80/43/1185888043.db2.gz LCTSEFKAZBWRPN-UHFFFAOYSA-N 0 3 377.880 0.747 20 0 GCADHN CC(C)(CNC(=O)CN[C@](C)(CO)Cc1ccc(F)cc1)N1CCOCC1 ZINC000933442009 1185894692 /nfs/dbraw/zinc/89/46/92/1185894692.db2.gz QUBIOJZALRHUNT-FQEVSTJZSA-N 0 3 381.492 0.936 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)c2ccccc2O1 ZINC000581774903 1185894936 /nfs/dbraw/zinc/89/49/36/1185894936.db2.gz ZTBZIIAPVFGOBA-RHSMWYFYSA-N 0 3 383.404 0.770 20 0 GCADHN CNc1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 ZINC000471708756 1185899096 /nfs/dbraw/zinc/89/90/96/1185899096.db2.gz GXLDAHUWIGUPEN-KPLDXPABSA-N 0 3 388.516 0.918 20 0 GCADHN COc1ccc([C@@H]2CNCCN2C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000891529242 1185906181 /nfs/dbraw/zinc/90/61/81/1185906181.db2.gz VONNPHYMWVCBST-LPHOPBHVSA-N 0 3 375.517 0.987 20 0 GCADHN CNC(=O)COc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1OC ZINC000581833530 1185906249 /nfs/dbraw/zinc/90/62/49/1185906249.db2.gz PCEVSCXNISVPNX-IBGZPJMESA-N 0 3 377.441 0.007 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)c2cc(S(N)(=O)=O)cnc2C)CC1 ZINC000581833261 1185906555 /nfs/dbraw/zinc/90/65/55/1185906555.db2.gz HNQPNDWHCIWPOH-UHFFFAOYSA-N 0 3 384.502 0.657 20 0 GCADHN CSc1ccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2=O)cc1 ZINC000581836018 1185908156 /nfs/dbraw/zinc/90/81/56/1185908156.db2.gz QSXBJJSLFJKZKI-INWMFGNUSA-N 0 3 388.493 0.532 20 0 GCADHN CCOC(=O)c1sc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)nc1C ZINC000610545039 1185925607 /nfs/dbraw/zinc/92/56/07/1185925607.db2.gz VURSKJXYAVHQMQ-LBPRGKRZSA-N 0 3 382.486 0.655 20 0 GCADHN COC1CCN(S(=O)(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000656955706 1185951952 /nfs/dbraw/zinc/95/19/52/1185951952.db2.gz FEPWXIYKSJXBLA-KRWDZBQOSA-N 0 3 383.514 0.698 20 0 GCADHN O=C(NC[C@@H]1Cc2ccccc2CN1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000891662228 1185962204 /nfs/dbraw/zinc/96/22/04/1185962204.db2.gz WHWQAEIOJZDIPU-KRWDZBQOSA-N 0 3 392.525 0.957 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCCn4nncc4C3)c2)CC1 ZINC000891672208 1185964703 /nfs/dbraw/zinc/96/47/03/1185964703.db2.gz MHELKQXCDRRWAJ-UHFFFAOYSA-N 0 3 397.483 0.791 20 0 GCADHN C[C@@H]1OCC[C@@]12CN(C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)CCO2 ZINC000471805992 1185969173 /nfs/dbraw/zinc/96/91/73/1185969173.db2.gz UQVZLYBEAQAKKD-TXPKVOOTSA-N 0 3 382.505 0.519 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)[C@H](CNCc2cc(=O)n3nccc3[nH]2)C1 ZINC001087168740 1185972849 /nfs/dbraw/zinc/97/28/49/1185972849.db2.gz FQDXYZGQTNSRLS-URYASSDKSA-N 0 3 385.468 0.776 20 0 GCADHN O=C(NCc1ccc(N2CCOCC2)nc1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000891696644 1185981978 /nfs/dbraw/zinc/98/19/78/1185981978.db2.gz UTSHSQKLLMTEHQ-QZTJIDSGSA-N 0 3 389.500 0.659 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)CCSC1 ZINC000581922786 1185986710 /nfs/dbraw/zinc/98/67/10/1185986710.db2.gz HCSLGOXHOVZGAU-GOSISDBHSA-N 0 3 392.481 0.534 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C[C@@H](C)O1 ZINC000581932906 1185994944 /nfs/dbraw/zinc/99/49/44/1185994944.db2.gz UZGHNFIZGCKWTI-BFYDXBDKSA-N 0 3 393.536 0.971 20 0 GCADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000548362568 1186003025 /nfs/dbraw/zinc/00/30/25/1186003025.db2.gz RRZYEXZENXVFAR-UNEWFSDZSA-N 0 3 397.472 0.303 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCO[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000933643000 1186006228 /nfs/dbraw/zinc/00/62/28/1186006228.db2.gz XTWCVMACGVJYMW-DLBZAZTESA-N 0 3 383.514 0.151 20 0 GCADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001691202626 1186028074 /nfs/dbraw/zinc/02/80/74/1186028074.db2.gz YIRPELNSPZGIBC-ZIAGYGMSSA-N 0 3 389.504 0.428 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)CN2CCNCC2=O)cc1)[C@@H]1CCCN(C)C1 ZINC000430796040 1186031260 /nfs/dbraw/zinc/03/12/60/1186031260.db2.gz JCXDOJFIMMKLTK-QGZVFWFLSA-N 0 3 387.484 0.223 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CNC[C@H]3CCCO3)CC2)C1 ZINC000430830582 1186036342 /nfs/dbraw/zinc/03/63/42/1186036342.db2.gz ORWCIPCABKKXNC-KZNAEPCWSA-N 0 3 380.533 0.404 20 0 GCADHN COc1ccc(CN2CCN(C(=O)COC3CNC3)CC2)c(OC)c1OC ZINC000430856081 1186041510 /nfs/dbraw/zinc/04/15/10/1186041510.db2.gz YLUPOCCSWFFQET-UHFFFAOYSA-N 0 3 379.457 0.345 20 0 GCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000891823219 1186066955 /nfs/dbraw/zinc/06/69/55/1186066955.db2.gz MXZNKNDQPXXOIK-QZTJIDSGSA-N 0 3 399.495 0.637 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)N[C@@H]2CCN(CCOC)C2)C1=O ZINC000276799398 1186070785 /nfs/dbraw/zinc/07/07/85/1186070785.db2.gz DRCOSMUSUSQNSU-CABCVRRESA-N 0 3 378.477 0.418 20 0 GCADHN CN(CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1)C1CCC1 ZINC001022377856 1186082348 /nfs/dbraw/zinc/08/23/48/1186082348.db2.gz WIYFZGGGTBVVPJ-NQHUSQPMSA-N 0 3 391.512 0.582 20 0 GCADHN COC(=O)C1(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCC1 ZINC000610641221 1186092052 /nfs/dbraw/zinc/09/20/52/1186092052.db2.gz DRSDKKOUYQDTHD-HNNXBMFYSA-N 0 3 382.505 0.962 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)NCCN1CCc2ccccc21 ZINC000510743992 1186096620 /nfs/dbraw/zinc/09/66/20/1186096620.db2.gz CJDCDVLWPZXGPO-IRXDYDNUSA-N 0 3 394.541 0.615 20 0 GCADHN COCc1ccc(CNC(=O)CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000510751220 1186097848 /nfs/dbraw/zinc/09/78/48/1186097848.db2.gz OPPZIAWGTMHXIH-SJORKVTESA-N 0 3 383.514 0.899 20 0 GCADHN COCc1ccc(CNC(=O)CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000510751218 1186097856 /nfs/dbraw/zinc/09/78/56/1186097856.db2.gz OPPZIAWGTMHXIH-IRXDYDNUSA-N 0 3 383.514 0.899 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000510748580 1186098450 /nfs/dbraw/zinc/09/84/50/1186098450.db2.gz QEPUMLMFYQWGSN-LSDHHAIUSA-N 0 3 389.518 0.238 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000510748579 1186098564 /nfs/dbraw/zinc/09/85/64/1186098564.db2.gz QEPUMLMFYQWGSN-HUUCEWRRSA-N 0 3 389.518 0.238 20 0 GCADHN COCc1cccc(CNC(=O)CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000510766528 1186104094 /nfs/dbraw/zinc/10/40/94/1186104094.db2.gz QLEIDYABHKHEES-SJORKVTESA-N 0 3 383.514 0.899 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891880990 1186122101 /nfs/dbraw/zinc/12/21/01/1186122101.db2.gz RHQAVGKXORDFBO-GOEBONIOSA-N 0 3 388.440 0.827 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891887460 1186133698 /nfs/dbraw/zinc/13/36/98/1186133698.db2.gz KUFDTQVCRGSADT-YESZJQIVSA-N 0 3 380.514 0.718 20 0 GCADHN COCCN(C(=O)CN[C@@H]1CCOC12CCCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000933879790 1186133710 /nfs/dbraw/zinc/13/37/10/1186133710.db2.gz SSCILMWYQUFHTD-JKSUJKDBSA-N 0 3 388.530 0.730 20 0 GCADHN COC[C@H](NC(=O)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000510866800 1186140652 /nfs/dbraw/zinc/14/06/52/1186140652.db2.gz MRJDFUQHEUDBGZ-MPGHIAIKSA-N 0 3 381.517 0.875 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)CC1 ZINC000933902443 1186145630 /nfs/dbraw/zinc/14/56/30/1186145630.db2.gz NJKCKADVZDKNHA-IBGZPJMESA-N 0 3 377.489 0.485 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)CC1 ZINC000276916403 1186146163 /nfs/dbraw/zinc/14/61/63/1186146163.db2.gz OCKHAOVNKUNAGA-KRWDZBQOSA-N 0 3 391.493 0.988 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)Nc3ccn(CC(=O)N(C)C)n3)C2)CC1 ZINC000610730535 1186153362 /nfs/dbraw/zinc/15/33/62/1186153362.db2.gz VAEDMHCKRCZSID-MRXNPFEDSA-N 0 3 391.520 0.604 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CCCN1c1nccs1 ZINC000548464611 1186154591 /nfs/dbraw/zinc/15/45/91/1186154591.db2.gz KCIQEGCSFRCGBA-MRXNPFEDSA-N 0 3 381.546 0.618 20 0 GCADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000891925929 1186162952 /nfs/dbraw/zinc/16/29/52/1186162952.db2.gz KPOWAVLZRMFFHK-SJORKVTESA-N 0 3 380.514 0.984 20 0 GCADHN COC(=O)COc1ccccc1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000891924659 1186164363 /nfs/dbraw/zinc/16/43/63/1186164363.db2.gz BMKHRWWRUZQATN-UHFFFAOYSA-N 0 3 375.469 0.978 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21)CN1CCN(C)CC1 ZINC000471959326 1186165643 /nfs/dbraw/zinc/16/56/43/1186165643.db2.gz UGDDIFFYJZXORE-GJZGRUSLSA-N 0 3 386.500 0.681 20 0 GCADHN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000471959328 1186165973 /nfs/dbraw/zinc/16/59/73/1186165973.db2.gz UGDDIFFYJZXORE-LSDHHAIUSA-N 0 3 386.500 0.681 20 0 GCADHN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC[C@@]1(O)CN2CCC1CC2 ZINC000581994457 1186169507 /nfs/dbraw/zinc/16/95/07/1186169507.db2.gz XUGOMNXPYSSFTH-OAQYLSRUSA-N 0 3 384.480 0.976 20 0 GCADHN O=C(NCCS(=O)(=O)C1CCOCC1)NC[C@@H]1Cc2ccccc2CN1 ZINC000891938190 1186171574 /nfs/dbraw/zinc/17/15/74/1186171574.db2.gz KGGBEKBPDJPEPH-INIZCTEOSA-N 0 3 381.498 0.594 20 0 GCADHN COC(=O)Cn1cc(S(=O)(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cn1 ZINC000610759589 1186173006 /nfs/dbraw/zinc/17/30/06/1186173006.db2.gz KJUMNNAQJBZUKD-CYBMUJFWSA-N 0 3 394.453 0.574 20 0 GCADHN CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1CNCC(=O)Nc1ccon1 ZINC001691330584 1186174153 /nfs/dbraw/zinc/17/41/53/1186174153.db2.gz XVPFXMHPARXHQU-DGXTUMSLSA-N 0 3 392.456 0.634 20 0 GCADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000933950909 1186178024 /nfs/dbraw/zinc/17/80/24/1186178024.db2.gz XWQDPHKPNUXWOC-WBVHZDCISA-N 0 3 385.472 0.301 20 0 GCADHN Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC[C@@H]1COCCO1 ZINC001707906523 1186181383 /nfs/dbraw/zinc/18/13/83/1186181383.db2.gz CDWFMECNLLGROH-IAGOWNOFSA-N 0 3 392.504 0.135 20 0 GCADHN COCCN1CCC(NC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1 ZINC000276981318 1186196633 /nfs/dbraw/zinc/19/66/33/1186196633.db2.gz BIQUVOMGTSQPHT-FQEVSTJZSA-N 0 3 375.469 0.620 20 0 GCADHN CS(=O)(=O)[N-]c1cncc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1 ZINC000535765617 1186211592 /nfs/dbraw/zinc/21/15/92/1186211592.db2.gz WFQJXAYKIMUQFM-INIZCTEOSA-N 0 3 382.486 0.780 20 0 GCADHN CS(=O)(=O)[N-]c1cncc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1 ZINC000535765621 1186211633 /nfs/dbraw/zinc/21/16/33/1186211633.db2.gz WFQJXAYKIMUQFM-MRXNPFEDSA-N 0 3 382.486 0.780 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000458195514 1186213975 /nfs/dbraw/zinc/21/39/75/1186213975.db2.gz HMQBOVWAQMMPDY-IXDOHACOSA-N 0 3 381.521 0.092 20 0 GCADHN COC(=O)[C@H]1CN(C[C@@H](O)C2(O)CCCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045965 1186225846 /nfs/dbraw/zinc/22/58/46/1186225846.db2.gz MNLMNCRBXHVPJQ-HUUCEWRRSA-N 0 3 398.500 0.994 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1 ZINC000277043923 1186231956 /nfs/dbraw/zinc/23/19/56/1186231956.db2.gz UGCVFGZXEGUVBI-UHFFFAOYSA-N 0 3 389.811 0.635 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1 ZINC000277050107 1186233242 /nfs/dbraw/zinc/23/32/42/1186233242.db2.gz FWPICGJTKORBJD-GOSISDBHSA-N 0 3 382.464 0.917 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)CC1=O ZINC000277110941 1186241274 /nfs/dbraw/zinc/24/12/74/1186241274.db2.gz DJXVRCRSKIAVKK-GFCCVEGCSA-N 0 3 399.417 0.558 20 0 GCADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[C@H]1CCOC1 ZINC001707907513 1186247552 /nfs/dbraw/zinc/24/75/52/1186247552.db2.gz YWAOUPZGQZVZPC-KRWDZBQOSA-N 0 3 376.505 0.758 20 0 GCADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ccncc4)c3)C2)CC1 ZINC000610869776 1186248622 /nfs/dbraw/zinc/24/86/22/1186248622.db2.gz QQJDNSVUDAREBR-GOSISDBHSA-N 0 3 397.483 0.444 20 0 GCADHN CCc1cnc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000277139986 1186248982 /nfs/dbraw/zinc/24/89/82/1186248982.db2.gz CRMWRKMHMOUUTA-CYBMUJFWSA-N 0 3 381.502 0.703 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000535847499 1186253878 /nfs/dbraw/zinc/25/38/78/1186253878.db2.gz QDMITVOBOHVDSF-KRWDZBQOSA-N 0 3 380.514 0.696 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H](CO)Cc2ccncc2Cl)CC1=O ZINC000535847345 1186254336 /nfs/dbraw/zinc/25/43/36/1186254336.db2.gz DMSHEJPVZVQPKN-ZFWWWQNUSA-N 0 3 382.892 0.412 20 0 GCADHN Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCN1CC=CCC1 ZINC001707909817 1186258983 /nfs/dbraw/zinc/25/89/83/1186258983.db2.gz DURWGAMTLZOAJF-UHFFFAOYSA-N 0 3 396.499 0.669 20 0 GCADHN CCN1CCN(C[C@@H](C)CNc2ccc(S(N)(=O)=O)cc2C(=O)OC)CC1 ZINC000277158886 1186264036 /nfs/dbraw/zinc/26/40/36/1186264036.db2.gz SKCCROCZFCKPBX-AWEZNQCLSA-N 0 3 398.529 0.806 20 0 GCADHN CCN1CCN(C[C@H](C)CNc2ccc(S(N)(=O)=O)cc2C(=O)OC)CC1 ZINC000277158888 1186264153 /nfs/dbraw/zinc/26/41/53/1186264153.db2.gz SKCCROCZFCKPBX-CQSZACIVSA-N 0 3 398.529 0.806 20 0 GCADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@H]1CC[C@H](CO)O1 ZINC001707913347 1186269342 /nfs/dbraw/zinc/26/93/42/1186269342.db2.gz YXBXSLWMGQGHKA-JCGIZDLHSA-N 0 3 379.505 0.816 20 0 GCADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@]1(O)CCO[C@@H]1C ZINC001707913289 1186269665 /nfs/dbraw/zinc/26/96/65/1186269665.db2.gz XCIQBBLOAXLTDJ-QMTMVMCOSA-N 0 3 379.505 0.816 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000097543411 1186279498 /nfs/dbraw/zinc/27/94/98/1186279498.db2.gz YXTNDDXIVSSBCM-MRXNPFEDSA-N 0 3 396.438 0.754 20 0 GCADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)C1 ZINC000611021358 1186283116 /nfs/dbraw/zinc/28/31/16/1186283116.db2.gz DAPIKDRSKPODMZ-HOTGVXAUSA-N 0 3 391.534 0.189 20 0 GCADHN CCN1CCN(CCCNC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1 ZINC000277222593 1186297492 /nfs/dbraw/zinc/29/74/92/1186297492.db2.gz WQILUMXLPNLXAN-NRFANRHFSA-N 0 3 388.512 0.537 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000472016102 1186303620 /nfs/dbraw/zinc/30/36/20/1186303620.db2.gz CHHCVBLSOHIPHH-AWEZNQCLSA-N 0 3 376.423 0.637 20 0 GCADHN CCS(=O)(=O)C1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CC1 ZINC000563144685 1186306223 /nfs/dbraw/zinc/30/62/23/1186306223.db2.gz XZXLDVJSIYYZEP-KRWDZBQOSA-N 0 3 393.509 0.497 20 0 GCADHN CCn1c(N)c(C(=O)CN2C[C@@H](SC)[C@@H](N3CCCC3)C2)c(=O)[nH]c1=O ZINC000548538983 1186306691 /nfs/dbraw/zinc/30/66/91/1186306691.db2.gz HJMZNKSDQRTQSU-WCQYABFASA-N 0 3 381.502 0.245 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccnn2[C@@H]2CCOC2)CC1 ZINC000934127509 1186307221 /nfs/dbraw/zinc/30/72/21/1186307221.db2.gz XRUJZENOIFNMGG-HUUCEWRRSA-N 0 3 376.461 0.615 20 0 GCADHN Cc1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1-n1nnnc1C(C)C ZINC000582014241 1186310074 /nfs/dbraw/zinc/31/00/74/1186310074.db2.gz LJSRLOGTFVQKCG-HUUCEWRRSA-N 0 3 398.471 0.870 20 0 GCADHN COCCN(C)CCNC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O ZINC000472027679 1186310120 /nfs/dbraw/zinc/31/01/20/1186310120.db2.gz QGMZDVWJBTVFKZ-HNNXBMFYSA-N 0 3 379.379 0.313 20 0 GCADHN COc1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3C)ccc1OCC(N)=O ZINC000892068419 1186327139 /nfs/dbraw/zinc/32/71/39/1186327139.db2.gz NINZABIGYROVKH-GJZGRUSLSA-N 0 3 376.457 0.937 20 0 GCADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000892084267 1186334010 /nfs/dbraw/zinc/33/40/10/1186334010.db2.gz MLKAYAWRYDJXFJ-IAGOWNOFSA-N 0 3 380.514 0.984 20 0 GCADHN O=C(CCCN1C(=O)CCC1=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000536433268 1186344233 /nfs/dbraw/zinc/34/42/33/1186344233.db2.gz YUWPJWRBPCLDFP-MSOLQXFVSA-N 0 3 387.480 0.915 20 0 GCADHN C[C@@H](CNC(=O)CSc1nnnn1CC(F)(F)F)CN1CCN(C)CC1 ZINC000511040001 1186346311 /nfs/dbraw/zinc/34/63/11/1186346311.db2.gz KFTUEPVYNBNDTJ-NSHDSACASA-N 0 3 395.455 0.327 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000892120905 1186355771 /nfs/dbraw/zinc/35/57/71/1186355771.db2.gz NQPIOOXFPCAESQ-ROUUACIJSA-N 0 3 390.484 0.666 20 0 GCADHN COc1cccc(C[C@@H](NC(C)=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000472114152 1186358653 /nfs/dbraw/zinc/35/86/53/1186358653.db2.gz BCGVWCJSEYWOSY-OXQOHEQNSA-N 0 3 390.528 0.885 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000472121273 1186363910 /nfs/dbraw/zinc/36/39/10/1186363910.db2.gz ZXYSWZXMQOZRFX-IKGGRYGDSA-N 0 3 378.517 0.694 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000472121272 1186364174 /nfs/dbraw/zinc/36/41/74/1186364174.db2.gz ZXYSWZXMQOZRFX-BRWVUGGUSA-N 0 3 378.517 0.694 20 0 GCADHN O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)[C@@H]1CN2CCN1CCC2 ZINC000548651746 1186375098 /nfs/dbraw/zinc/37/50/98/1186375098.db2.gz KWDVSVVVJMVGBI-KRWDZBQOSA-N 0 3 376.432 0.627 20 0 GCADHN NC(=O)N[C@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000277421074 1186375304 /nfs/dbraw/zinc/37/53/04/1186375304.db2.gz HKBVMRZBKCDYGG-DLBZAZTESA-N 0 3 375.473 0.730 20 0 GCADHN C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000559412999 1186376625 /nfs/dbraw/zinc/37/66/25/1186376625.db2.gz YUSIKEZTMWBPEE-MJGOQNOKSA-N 0 3 390.528 0.455 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC(C)C)c2ccccc2O1 ZINC000548654054 1186377592 /nfs/dbraw/zinc/37/75/92/1186377592.db2.gz LCALVHCCNGPQSK-KRWDZBQOSA-N 0 3 391.468 1.000 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3C[C@@H]3C(=O)OC)c2)CC1 ZINC000892158847 1186383670 /nfs/dbraw/zinc/38/36/70/1186383670.db2.gz LEXGMUZYSCUQFY-YOEHRIQHSA-N 0 3 388.468 0.692 20 0 GCADHN Cn1c2nnc(CN3CC[C@H]4[C@@H]3CCCN4CCO)n2c2ccccc2c1=O ZINC000934256065 1186383785 /nfs/dbraw/zinc/38/37/85/1186383785.db2.gz ZXOMOMBTTXQVOY-IRXDYDNUSA-N 0 3 382.468 0.612 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(S(N)(=O)=O)c(C)c2)CC1 ZINC000135491955 1186386932 /nfs/dbraw/zinc/38/69/32/1186386932.db2.gz IRLCYCDOZWRQMI-AWEZNQCLSA-N 0 3 382.530 0.646 20 0 GCADHN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000934262670 1186389676 /nfs/dbraw/zinc/38/96/76/1186389676.db2.gz LNOWALBAIIUFMZ-IAGOWNOFSA-N 0 3 399.488 0.699 20 0 GCADHN COCCOc1cccc(CNC(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000934262702 1186390216 /nfs/dbraw/zinc/39/02/16/1186390216.db2.gz YQUSYDBRURGOAE-VQTJNVASSA-N 0 3 391.512 0.859 20 0 GCADHN C[C@](O)(CN1CC[C@H]2[C@@H]1CCCN2CCO)c1ccc(S(C)(=O)=O)cc1 ZINC000934263915 1186392752 /nfs/dbraw/zinc/39/27/52/1186392752.db2.gz FBLABUWURJVLOY-FHWLQOOXSA-N 0 3 382.526 0.829 20 0 GCADHN O=C(CN1CC[C@H]2[C@@H]1CCCN2CCO)N1CCN(Cc2ccco2)CC1 ZINC000934267203 1186396278 /nfs/dbraw/zinc/39/62/78/1186396278.db2.gz IZBRCLFURXALNF-OALUTQOASA-N 0 3 376.501 0.455 20 0 GCADHN COC(=O)COc1ccccc1CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000892176238 1186402789 /nfs/dbraw/zinc/40/27/89/1186402789.db2.gz SLPQBJUTWZPGMQ-QGZVFWFLSA-N 0 3 375.469 0.977 20 0 GCADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NC(C)(CO)CO)CC2)cc1 ZINC000563241314 1186403686 /nfs/dbraw/zinc/40/36/86/1186403686.db2.gz YCYIODWPKYETHB-UHFFFAOYSA-N 0 3 378.473 0.652 20 0 GCADHN C[C@@H]1NCCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1C ZINC000277488055 1186427722 /nfs/dbraw/zinc/42/77/22/1186427722.db2.gz NIQIUWAFLLTREO-TWZSPHTKSA-N 0 3 393.509 0.930 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)C1 ZINC000582152499 1186442980 /nfs/dbraw/zinc/44/29/80/1186442980.db2.gz YNQYBYXVGVVKFZ-LLVKDONJSA-N 0 3 398.410 0.826 20 0 GCADHN Cc1c(Cl)cc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1F ZINC000582192153 1186459486 /nfs/dbraw/zinc/45/94/86/1186459486.db2.gz AAQJDRDWNCEUSF-GZMMTYOYSA-N 0 3 386.786 0.636 20 0 GCADHN O=C1C[C@@H](NCc2ccc(O[C@H]3CCOC3)cc2)CN1CCN1CCOCC1 ZINC000657368485 1186468378 /nfs/dbraw/zinc/46/83/78/1186468378.db2.gz XMNGTRHWEQOBFE-QUCCMNQESA-N 0 3 389.496 0.877 20 0 GCADHN CN1CCN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)[C@@H](CN)C1 ZINC000582240227 1186473186 /nfs/dbraw/zinc/47/31/86/1186473186.db2.gz XARJNTRYFDRDFL-INIZCTEOSA-N 0 3 389.481 0.019 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000582245203 1186473735 /nfs/dbraw/zinc/47/37/35/1186473735.db2.gz CNBPVJPQNHGYOG-INIZCTEOSA-N 0 3 398.529 0.802 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)CCCc3nc(-c4cccs4)no3)CCN2C1=O ZINC000582252647 1186477335 /nfs/dbraw/zinc/47/73/35/1186477335.db2.gz NOHVZUFORJTSCN-NEPJUHHUSA-N 0 3 375.454 0.891 20 0 GCADHN COC(=O)[C@H](C)Sc1ccccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582252570 1186478512 /nfs/dbraw/zinc/47/85/12/1186478512.db2.gz KYNNVRGMKAPMNI-SGMGOOAPSA-N 0 3 377.466 0.724 20 0 GCADHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000582316897 1186493630 /nfs/dbraw/zinc/49/36/30/1186493630.db2.gz LXEVFBOWCSAMGU-IBGZPJMESA-N 0 3 393.509 0.622 20 0 GCADHN COCCN1C[C@@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1=O ZINC000277556572 1186501699 /nfs/dbraw/zinc/50/16/99/1186501699.db2.gz WELCCMHBJBHBIE-OALUTQOASA-N 0 3 389.496 0.889 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCc2cccc(NS(C)(=O)=O)c2)CC1=O ZINC000468230603 1186503339 /nfs/dbraw/zinc/50/33/39/1186503339.db2.gz MXVVLBFFYOBYNX-AWEZNQCLSA-N 0 3 382.486 0.084 20 0 GCADHN COCCOc1ncccc1CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000582366692 1186505425 /nfs/dbraw/zinc/50/54/25/1186505425.db2.gz FSSJCEHGORQDPV-INIZCTEOSA-N 0 3 392.500 0.960 20 0 GCADHN CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN[C@H]1CCOC12CCOCC2 ZINC000934400737 1186508063 /nfs/dbraw/zinc/50/80/63/1186508063.db2.gz ZFEHEOFKSBRVDD-LBPRGKRZSA-N 0 3 381.395 0.393 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 ZINC000152416986 1186508099 /nfs/dbraw/zinc/50/80/99/1186508099.db2.gz KOJNGFFLEAZACV-MRXNPFEDSA-N 0 3 383.456 0.105 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccnn2-c2cc(C)ccn2)CC1 ZINC000277567573 1186509419 /nfs/dbraw/zinc/50/94/19/1186509419.db2.gz XBRJWGLDUUSFQR-UHFFFAOYSA-N 0 3 386.456 0.741 20 0 GCADHN O=C(NC[C@]1(N2CCOCC2)CCSC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892258814 1186514733 /nfs/dbraw/zinc/51/47/33/1186514733.db2.gz KCPORYHHMJDMFD-ZHALLVOQSA-N 0 3 398.573 0.435 20 0 GCADHN C[C@@H](CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)N(C)Cc1ccccc1 ZINC000110966287 1186523517 /nfs/dbraw/zinc/52/35/17/1186523517.db2.gz YFIBXCWTDHAYEU-ZDUSSCGKSA-N 0 3 398.467 0.519 20 0 GCADHN O=C(NCCN1C(=O)c2ccccc2C1=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892260003 1186524692 /nfs/dbraw/zinc/52/46/92/1186524692.db2.gz GEERQFMAXANELC-SJORKVTESA-N 0 3 386.452 0.523 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[C@H](OC)CN3C)CC2)CC1 ZINC000329056849 1186526700 /nfs/dbraw/zinc/52/67/00/1186526700.db2.gz YCUCMXFQGWOOQX-ROUUACIJSA-N 0 3 380.533 0.498 20 0 GCADHN O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000277605845 1186534857 /nfs/dbraw/zinc/53/48/57/1186534857.db2.gz UTKCPXVDGXHQID-NVXWUHKLSA-N 0 3 387.484 0.898 20 0 GCADHN CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000892262523 1186535197 /nfs/dbraw/zinc/53/51/97/1186535197.db2.gz KRJSSMCACKVYRF-DLBZAZTESA-N 0 3 378.473 0.867 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000582466529 1186541001 /nfs/dbraw/zinc/54/10/01/1186541001.db2.gz DLUINNVUEBFSOG-OAHLLOKOSA-N 0 3 379.505 0.239 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC(N3CCOC[C@H]3C)CC2)C1 ZINC000563365953 1186541360 /nfs/dbraw/zinc/54/13/60/1186541360.db2.gz WKAQUXBKBMMUEQ-SJORKVTESA-N 0 3 381.517 0.973 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](CNCc2cncc(F)c2)C1 ZINC001087211908 1186549569 /nfs/dbraw/zinc/54/95/69/1186549569.db2.gz GCJXMLNDKLIYBW-ISWURRPUSA-N 0 3 378.448 0.970 20 0 GCADHN Cc1nc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)n[nH]1 ZINC001087212264 1186550961 /nfs/dbraw/zinc/55/09/61/1186550961.db2.gz TZUAMSYGIZQKPM-SYAUCNOPSA-N 0 3 392.504 0.466 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(-n3cccn3)c2)CC1=O ZINC000582502552 1186553369 /nfs/dbraw/zinc/55/33/69/1186553369.db2.gz FVWXNYZQDLSUKQ-KRWDZBQOSA-N 0 3 385.468 0.781 20 0 GCADHN CC(C)CN1C[C@@H]2CN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)CCN2C1=O ZINC000582523190 1186557507 /nfs/dbraw/zinc/55/75/07/1186557507.db2.gz DGSAHKQAGFJGCP-ROUUACIJSA-N 0 3 394.564 0.800 20 0 GCADHN O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000159309279 1186567770 /nfs/dbraw/zinc/56/77/70/1186567770.db2.gz IMJPHSBVMRBYIF-HXUWFJFHSA-N 0 3 392.463 0.740 20 0 GCADHN COC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)cc1 ZINC000277714793 1186575597 /nfs/dbraw/zinc/57/55/97/1186575597.db2.gz XOXAVINQCNIPHT-GDBMZVCRSA-N 0 3 379.432 0.609 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnnn2Cc2ccccc2)CC1 ZINC000511170646 1186578022 /nfs/dbraw/zinc/57/80/22/1186578022.db2.gz LDGWNIOFRRCEOP-UHFFFAOYSA-N 0 3 384.484 0.953 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000548742914 1186582157 /nfs/dbraw/zinc/58/21/57/1186582157.db2.gz QJPYEUMHMITMJY-OAHLLOKOSA-N 0 3 379.457 0.695 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 ZINC000152804234 1186583503 /nfs/dbraw/zinc/58/35/03/1186583503.db2.gz CRPKGBNOBMJTDZ-MRXNPFEDSA-N 0 3 398.467 0.829 20 0 GCADHN COc1cc(OC)c(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OC)c1 ZINC000582617491 1186587047 /nfs/dbraw/zinc/58/70/47/1186587047.db2.gz PUSBFCWTUQIBOE-WFASDCNBSA-N 0 3 392.456 0.208 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1nc(-c2cnn(C)c2)ns1 ZINC000934559258 1186588554 /nfs/dbraw/zinc/58/85/54/1186588554.db2.gz WLZDPYCPJLPJAB-UHFFFAOYSA-N 0 3 380.478 0.422 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1nc(-c2cnn(C)c2)ns1 ZINC000934559368 1186588860 /nfs/dbraw/zinc/58/88/60/1186588860.db2.gz YSEQTZIFGVJLFL-JTQLQIEISA-N 0 3 378.462 0.522 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CCOCC1 ZINC000582626655 1186589202 /nfs/dbraw/zinc/58/92/02/1186589202.db2.gz CXQXGZBHALUGOX-IAGOWNOFSA-N 0 3 394.516 0.073 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000611678927 1186597369 /nfs/dbraw/zinc/59/73/69/1186597369.db2.gz UPDYDZWHNOEALE-IAGOWNOFSA-N 0 3 380.514 0.984 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)[C@H]1c1nccn1C ZINC000626077928 1186599594 /nfs/dbraw/zinc/59/95/94/1186599594.db2.gz UBEUFAVDLRVBHC-YVVXQTMVSA-N 0 3 375.473 0.307 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000128059340 1186603658 /nfs/dbraw/zinc/60/36/58/1186603658.db2.gz YDZVBPDGOBZRAM-UHFFFAOYSA-N 0 3 384.484 0.955 20 0 GCADHN Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(O[C@H]2CCOC2)c1 ZINC000582677529 1186606509 /nfs/dbraw/zinc/60/65/09/1186606509.db2.gz YYUBOCMRACBFPR-IXDOHACOSA-N 0 3 388.468 0.616 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NCCCCN2CCN(C)CC2)c(C)c1 ZINC000582680587 1186607959 /nfs/dbraw/zinc/60/79/59/1186607959.db2.gz SSAHRHHHGKYENQ-UHFFFAOYSA-N 0 3 376.501 0.764 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cncc(OCC(F)(F)F)n1)N1CCCC1 ZINC000657521138 1186610696 /nfs/dbraw/zinc/61/06/96/1186610696.db2.gz WSTGZYMARYEOSO-JTQLQIEISA-N 0 3 375.351 0.957 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNC(=O)c1ccc(F)cc1 ZINC000116649570 1186610731 /nfs/dbraw/zinc/61/07/31/1186610731.db2.gz VSRLMUBYJDNBNS-INIZCTEOSA-N 0 3 378.448 0.614 20 0 GCADHN CN(C)C(=O)COc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000363485121 1186611256 /nfs/dbraw/zinc/61/12/56/1186611256.db2.gz KSEFHUGAGHTZHM-AEFFLSMTSA-N 0 3 390.484 0.816 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3ccc(OCC(F)(F)C(F)F)nc3)CCN2C1=O ZINC000563439416 1186614907 /nfs/dbraw/zinc/61/49/07/1186614907.db2.gz GFBNUOOCVOYQEZ-QWRGUYRKSA-N 0 3 390.337 0.745 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)CCn3c(=O)oc4cc(Cl)ccc43)CCN2C1=O ZINC000563440688 1186615174 /nfs/dbraw/zinc/61/51/74/1186615174.db2.gz JKHREXHWETVNQR-NWDGAFQWSA-N 0 3 378.816 0.408 20 0 GCADHN Cc1c(C(=O)N2CC[C@@H](CO)[C@H](O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000684984975 1186615461 /nfs/dbraw/zinc/61/54/61/1186615461.db2.gz OGHRJBLWKNWNEN-MAUKXSAKSA-N 0 3 385.468 0.379 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)N2CCO[C@H](CN(C)C)C2)N2CCOCC2)o1 ZINC000117028478 1186616860 /nfs/dbraw/zinc/61/68/60/1186616860.db2.gz DNNGEKWNUYVAAG-IAGOWNOFSA-N 0 3 380.489 0.933 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nnn1-c1cccc2cccnc21 ZINC000563442308 1186617625 /nfs/dbraw/zinc/61/76/25/1186617625.db2.gz OSGQRAFHJMAJBY-HUUCEWRRSA-N 0 3 391.435 0.508 20 0 GCADHN COc1ccccc1N1C[C@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1=O ZINC000582719900 1186623750 /nfs/dbraw/zinc/62/37/50/1186623750.db2.gz HLPVMYATMWSWAQ-GDBMZVCRSA-N 0 3 398.467 0.962 20 0 GCADHN Cn1cc(-c2ncc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)s2)cn1 ZINC000152583343 1186628452 /nfs/dbraw/zinc/62/84/52/1186628452.db2.gz HOQMEYFFDXKAOP-AWEZNQCLSA-N 0 3 388.497 0.922 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000657613681 1186665742 /nfs/dbraw/zinc/66/57/42/1186665742.db2.gz YDKUQAFHFAVEPS-INIZCTEOSA-N 0 3 388.468 0.480 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000582793220 1186676818 /nfs/dbraw/zinc/67/68/18/1186676818.db2.gz DDSCUJQFJBJLJW-MRXNPFEDSA-N 0 3 394.541 0.792 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)C[C@H](C)O1 ZINC000560663567 1186680405 /nfs/dbraw/zinc/68/04/05/1186680405.db2.gz DNZNPXYWKAUORC-OKZBNKHCSA-N 0 3 380.533 0.639 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCC(C)(C)C(C)(C)O)C2)CC1 ZINC000582839275 1186709232 /nfs/dbraw/zinc/70/92/32/1186709232.db2.gz NIKRDGGZYUWIRH-INIZCTEOSA-N 0 3 382.549 0.527 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000582844833 1186711180 /nfs/dbraw/zinc/71/11/80/1186711180.db2.gz PGQAEUUAGQPHNT-AWEZNQCLSA-N 0 3 378.458 0.122 20 0 GCADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000582854672 1186712712 /nfs/dbraw/zinc/71/27/12/1186712712.db2.gz UIDWZMSJRWCZTQ-UHFFFAOYSA-N 0 3 392.481 0.947 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccc(N2CCCC2)c1 ZINC000582856681 1186713413 /nfs/dbraw/zinc/71/34/13/1186713413.db2.gz PVSQVNSOGZWGOI-JCGIZDLHSA-N 0 3 399.495 0.234 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000582892991 1186725314 /nfs/dbraw/zinc/72/53/14/1186725314.db2.gz DWEFRCDBRIOFMI-SMDDNHRTSA-N 0 3 376.413 0.811 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCc4c3cccc4C(F)(F)F)CCN2C1=O ZINC000582914748 1186727984 /nfs/dbraw/zinc/72/79/84/1186727984.db2.gz GCGPXZHYOOZVQU-ZWNOBZJWSA-N 0 3 396.369 0.365 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000582954611 1186735681 /nfs/dbraw/zinc/73/56/81/1186735681.db2.gz DZXOKJZTUMBHRQ-LBPRGKRZSA-N 0 3 378.454 0.950 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)CCC2CCN(C(C)=O)CC2)CC1=O ZINC000582980760 1186740862 /nfs/dbraw/zinc/74/08/62/1186740862.db2.gz GURHQHJDLMAEOI-GOSISDBHSA-N 0 3 396.532 0.320 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000561004110 1186744469 /nfs/dbraw/zinc/74/44/69/1186744469.db2.gz QBGUVCMWFQRCOG-BBRMVZONSA-N 0 3 390.488 0.704 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000162245923 1186746499 /nfs/dbraw/zinc/74/64/99/1186746499.db2.gz QWMOTOZPKAFAMB-SFHVURJKSA-N 0 3 392.475 0.559 20 0 GCADHN COCc1ccccc1CNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000162233506 1186746906 /nfs/dbraw/zinc/74/69/06/1186746906.db2.gz QNESYJWKTWEANB-IBGZPJMESA-N 0 3 388.512 0.688 20 0 GCADHN O=C(C[C@H]1CSCC[NH2+]1)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000583022656 1186750282 /nfs/dbraw/zinc/75/02/82/1186750282.db2.gz WEENPPCTUJKRAP-VIFPVBQESA-N 0 3 377.426 0.191 20 0 GCADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCc1cn2c(n1)SCC2 ZINC000583024427 1186751254 /nfs/dbraw/zinc/75/12/54/1186751254.db2.gz ANAWNZQCHGSSAY-MRXNPFEDSA-N 0 3 385.493 0.732 20 0 GCADHN CCn1ncc2ccc(NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)cc21 ZINC000122204575 1186751515 /nfs/dbraw/zinc/75/15/15/1186751515.db2.gz WUHGWVLRGQCEDR-OAHLLOKOSA-N 0 3 386.500 0.994 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1)CN1CCN(C)CC1 ZINC000122213025 1186751712 /nfs/dbraw/zinc/75/17/12/1186751712.db2.gz OGMNZSNFBPWRQF-INIZCTEOSA-N 0 3 384.484 0.811 20 0 GCADHN CN1CCN(c2ncc(CNCCNS(=O)(=O)c3cccs3)cn2)CC1 ZINC000122225289 1186752493 /nfs/dbraw/zinc/75/24/93/1186752493.db2.gz HHQIVRHPFBHJIH-UHFFFAOYSA-N 0 3 396.542 0.358 20 0 GCADHN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000583095461 1186769677 /nfs/dbraw/zinc/76/96/77/1186769677.db2.gz KNEHWDKAHQBDHB-BXUZGUMPSA-N 0 3 379.848 0.818 20 0 GCADHN C[C@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@@H](C)C1 ZINC000583098261 1186770393 /nfs/dbraw/zinc/77/03/93/1186770393.db2.gz SGPVFRGBTYKYDN-OFQRWUPVSA-N 0 3 383.456 0.790 20 0 GCADHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583154866 1186783802 /nfs/dbraw/zinc/78/38/02/1186783802.db2.gz KOIYGVMCCWLMNN-FCLUMBPUSA-N 0 3 388.443 0.336 20 0 GCADHN Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000126315205 1186787745 /nfs/dbraw/zinc/78/77/45/1186787745.db2.gz QSDPSTYDJSOJGZ-UHFFFAOYSA-N 0 3 384.484 0.873 20 0 GCADHN Cc1cn2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cc2n1 ZINC000657738854 1186790013 /nfs/dbraw/zinc/79/00/13/1186790013.db2.gz VGNYXFUWRCWAEQ-INIZCTEOSA-N 0 3 398.467 0.346 20 0 GCADHN C[C@@H](CN[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)S(C)(=O)=O ZINC000583199441 1186793939 /nfs/dbraw/zinc/79/39/39/1186793939.db2.gz OUZKYVGDETULAR-GJZGRUSLSA-N 0 3 383.518 0.305 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000511234665 1186797463 /nfs/dbraw/zinc/79/74/63/1186797463.db2.gz OWALJKMTMCCCHI-DLBZAZTESA-N 0 3 395.548 0.505 20 0 GCADHN COc1ccc(-c2cc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)[nH]n2)cc1OC ZINC000583214604 1186798103 /nfs/dbraw/zinc/79/81/03/1186798103.db2.gz HJGVUXJTRLUUBM-QWHCGFSZSA-N 0 3 385.424 0.478 20 0 GCADHN CCOC(=O)c1sc2ncn(C[C@H](O)CN(C)CCOC)c(=O)c2c1C ZINC000583215090 1186798360 /nfs/dbraw/zinc/79/83/60/1186798360.db2.gz ZCMNMWSYWZLXCV-GFCCVEGCSA-N 0 3 383.470 0.882 20 0 GCADHN COc1ccc([C@H](CO)CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000458438989 1186801991 /nfs/dbraw/zinc/80/19/91/1186801991.db2.gz LSOAINZNIFZFDI-AEFFLSMTSA-N 0 3 378.517 0.954 20 0 GCADHN O=C(C(=O)N1CCN(C[C@H]2CCCO2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000657745412 1186806031 /nfs/dbraw/zinc/80/60/31/1186806031.db2.gz PXBGZKOGPSZDEZ-ZWKOTPCHSA-N 0 3 378.517 0.396 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000583252542 1186809111 /nfs/dbraw/zinc/80/91/11/1186809111.db2.gz PPLFZJLUKNQMBN-DLBZAZTESA-N 0 3 379.509 0.440 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CC[C@H](Oc4ccccc4)C3)C2)nn1 ZINC000583263752 1186810201 /nfs/dbraw/zinc/81/02/01/1186810201.db2.gz PYCRGPIZTYBBCO-WMZOPIPTSA-N 0 3 398.467 0.580 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000569626787 1186818706 /nfs/dbraw/zinc/81/87/06/1186818706.db2.gz UPKMNHMYSCXUIB-OAHLLOKOSA-N 0 3 376.505 0.291 20 0 GCADHN CCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@@](C)(O)CCOC ZINC001709092006 1186821046 /nfs/dbraw/zinc/82/10/46/1186821046.db2.gz MKIIYCVIRJMARZ-XLIONFOSSA-N 0 3 394.564 0.844 20 0 GCADHN CCN1CCN([C@H]2CCN(CC(=O)N3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000155667171 1186822198 /nfs/dbraw/zinc/82/21/98/1186822198.db2.gz ZFISQPJNEBTTTH-IBGZPJMESA-N 0 3 389.544 0.636 20 0 GCADHN O=S(=O)(CCNC[C@H](O)COc1cccc2[nH]ccc21)N1CCSCC1 ZINC000583317243 1186825094 /nfs/dbraw/zinc/82/50/94/1186825094.db2.gz ATFHSGIKHYKEMY-AWEZNQCLSA-N 0 3 399.538 0.876 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000583324728 1186825814 /nfs/dbraw/zinc/82/58/14/1186825814.db2.gz IRVMAHPUENWSRT-IEZWGBDMSA-N 0 3 376.501 0.492 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000685122557 1186831769 /nfs/dbraw/zinc/83/17/69/1186831769.db2.gz FJSFLCGFUFPYSU-LSDHHAIUSA-N 0 3 387.484 0.460 20 0 GCADHN CN(C)[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)Cc1ccccc1 ZINC000536014376 1186848232 /nfs/dbraw/zinc/84/82/32/1186848232.db2.gz PRPCAGYGESZDCY-HNNXBMFYSA-N 0 3 397.479 0.478 20 0 GCADHN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000583420120 1186850285 /nfs/dbraw/zinc/85/02/85/1186850285.db2.gz MYHYUEMWTVXQJO-GOSISDBHSA-N 0 3 387.484 0.727 20 0 GCADHN CN1CCN(CCCCNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000531122796 1186859529 /nfs/dbraw/zinc/85/95/29/1186859529.db2.gz VGQZXMPDTQNMJL-HXUWFJFHSA-N 0 3 387.484 0.499 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000583458299 1186861575 /nfs/dbraw/zinc/86/15/75/1186861575.db2.gz ZCOYNWGMTXZSJO-UHFFFAOYSA-N 0 3 386.456 0.540 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCCCOC1CCCCC1)CN1CCN(C)CC1 ZINC000583514846 1186876857 /nfs/dbraw/zinc/87/68/57/1186876857.db2.gz UVOBUAPNUNPPCG-KRWDZBQOSA-N 0 3 382.549 0.842 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000583555822 1186884666 /nfs/dbraw/zinc/88/46/66/1186884666.db2.gz JORODUGZEUSMHK-ROUUACIJSA-N 0 3 397.541 0.783 20 0 GCADHN Cc1ccc(S(N)(=O)=O)c(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1 ZINC000536074346 1186889780 /nfs/dbraw/zinc/88/97/80/1186889780.db2.gz WWGWBTNYZUFOPW-UHFFFAOYSA-N 0 3 399.513 0.988 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)c1ccc(Cl)cc1 ZINC000583621690 1186902180 /nfs/dbraw/zinc/90/21/80/1186902180.db2.gz VWDUMCHJLRBYJR-SJORKVTESA-N 0 3 395.935 0.421 20 0 GCADHN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000545162976 1186902288 /nfs/dbraw/zinc/90/22/88/1186902288.db2.gz VIJJQOAYUBUDHX-QGZVFWFLSA-N 0 3 399.517 0.191 20 0 GCADHN C[C@H](CNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)CN1CCOCC1 ZINC000163321693 1186908751 /nfs/dbraw/zinc/90/87/51/1186908751.db2.gz GXPBXXQISINQTM-YLJYHZDGSA-N 0 3 390.528 0.673 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2c(F)ccc(OC)c2OC)CC1=O ZINC000583655883 1186912151 /nfs/dbraw/zinc/91/21/51/1186912151.db2.gz WWVYEZHBQPKMRE-CYBMUJFWSA-N 0 3 397.447 0.752 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000583655865 1186912278 /nfs/dbraw/zinc/91/22/78/1186912278.db2.gz WIRDWLLZHUQDCK-GFCCVEGCSA-N 0 3 378.395 0.210 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3cc(F)c(Cl)cc3F)CCN2C1=O ZINC000583705081 1186923624 /nfs/dbraw/zinc/92/36/24/1186923624.db2.gz CHDZVJYVVLAYQQ-TVQRCGJNSA-N 0 3 386.786 0.005 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C3CCN(C(=O)CCc4ccccc4)CC3)CCN2C1=O ZINC000583704744 1186923893 /nfs/dbraw/zinc/92/38/93/1186923893.db2.gz PHSJXQZCACWEGF-RTBURBONSA-N 0 3 398.507 0.628 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583711733 1186924286 /nfs/dbraw/zinc/92/42/86/1186924286.db2.gz ZITLIGCNJMKYLE-CVEARBPZSA-N 0 3 379.505 0.430 20 0 GCADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000246551027 1186927707 /nfs/dbraw/zinc/92/77/07/1186927707.db2.gz CTBWQTQKIGDUGV-OLZOCXBDSA-N 0 3 380.411 0.807 20 0 GCADHN CN1CCN(c2ccc(CNC(=O)C(C)(C)CN3CCOCC3)cn2)CC1 ZINC000635182373 1186930595 /nfs/dbraw/zinc/93/05/95/1186930595.db2.gz CYTADDQGVRJLGE-UHFFFAOYSA-N 0 3 375.517 0.808 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000458661657 1186931537 /nfs/dbraw/zinc/93/15/37/1186931537.db2.gz UHGCXYZORDRSRP-MRXNPFEDSA-N 0 3 398.529 0.583 20 0 GCADHN O=C(c1ccc(CNC[C@H](O)COc2ccccc2)cc1)N1CCNC(=O)C1 ZINC000583765211 1186935116 /nfs/dbraw/zinc/93/51/16/1186935116.db2.gz DWVYTMZRDVOOIR-SFHVURJKSA-N 0 3 383.448 0.788 20 0 GCADHN CC(C)(C)n1cc(C(=O)C(=O)NCC(=O)NCCN2CCCCCC2)cn1 ZINC000583769469 1186936621 /nfs/dbraw/zinc/93/66/21/1186936621.db2.gz HIRXDDKMBAEGEZ-UHFFFAOYSA-N 0 3 377.489 0.929 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)CCCN1C ZINC000458673425 1186938375 /nfs/dbraw/zinc/93/83/75/1186938375.db2.gz YCPJUJYHCXLTMW-VNQPRFMTSA-N 0 3 389.566 0.723 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)CCN2C1=O ZINC000583824000 1186946122 /nfs/dbraw/zinc/94/61/22/1186946122.db2.gz PMPLAZZKZDJGPK-RBSFLKMASA-N 0 3 376.844 0.463 20 0 GCADHN CCn1cccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1=O ZINC000583849956 1186951323 /nfs/dbraw/zinc/95/13/23/1186951323.db2.gz LJXJWIWHUGQQMD-INIZCTEOSA-N 0 3 375.473 0.316 20 0 GCADHN Cn1nccc1NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000151175543 1186951541 /nfs/dbraw/zinc/95/15/41/1186951541.db2.gz RYUOYLPTWUFAAE-UHFFFAOYSA-N 0 3 384.484 0.683 20 0 GCADHN Cc1nnnn1-c1ccc(F)c(NC(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)c1 ZINC000131248196 1186954927 /nfs/dbraw/zinc/95/49/27/1186954927.db2.gz CTFKWWWLQGYYQP-JSGCOSHPSA-N 0 3 375.408 0.682 20 0 GCADHN NC(=O)NC(=O)CCNCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000583866705 1186955246 /nfs/dbraw/zinc/95/52/46/1186955246.db2.gz DQXVQIFCUNVLON-AWEZNQCLSA-N 0 3 378.429 0.035 20 0 GCADHN Cc1nc(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cs1 ZINC000583883666 1186957202 /nfs/dbraw/zinc/95/72/02/1186957202.db2.gz XZLIYDCBNXBBRU-JSGCOSHPSA-N 0 3 399.476 0.827 20 0 GCADHN COc1cc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc(S(C)(=O)=O)c1 ZINC000548815649 1186961227 /nfs/dbraw/zinc/96/12/27/1186961227.db2.gz HXBFMSLUVWFEQU-LBPRGKRZSA-N 0 3 383.470 0.495 20 0 GCADHN CNC(=O)[C@@H]1CCCN([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000247579076 1186962575 /nfs/dbraw/zinc/96/25/75/1186962575.db2.gz KZLJQLQWUAIUFA-HUUCEWRRSA-N 0 3 376.457 0.411 20 0 GCADHN CCN1CCCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 ZINC000158183598 1186963675 /nfs/dbraw/zinc/96/36/75/1186963675.db2.gz KGOILHKMRWSMOV-UHFFFAOYSA-N 0 3 399.495 0.388 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000536176295 1186971872 /nfs/dbraw/zinc/97/18/72/1186971872.db2.gz GRCBOCDTMPAZCV-GOSISDBHSA-N 0 3 388.512 0.546 20 0 GCADHN CCCCS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000564739349 1186980044 /nfs/dbraw/zinc/98/00/44/1186980044.db2.gz GHEYAKFETUCMJH-GDBMZVCRSA-N 0 3 379.482 0.644 20 0 GCADHN O=C(NC[C@H]1CCCCN1CCO)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000584038691 1186986186 /nfs/dbraw/zinc/98/61/86/1186986186.db2.gz XZSLPVJEYHLRAO-DLBZAZTESA-N 0 3 381.521 0.813 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCc1ccccc1N1CCOCC1)C1=CCN(C)CC1 ZINC000584068047 1186993498 /nfs/dbraw/zinc/99/34/98/1186993498.db2.gz SKZILCIODBKWBN-MRXNPFEDSA-N 0 3 386.496 0.906 20 0 GCADHN CCN1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@H]1c1ncc[nH]1 ZINC000584081414 1186996658 /nfs/dbraw/zinc/99/66/58/1186996658.db2.gz VCKVIPUEZAAGTP-JKSUJKDBSA-N 0 3 390.532 0.852 20 0 GCADHN COC(=O)C[C@@H]1C(=O)NCCN1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278653883 1187008334 /nfs/dbraw/zinc/00/83/34/1187008334.db2.gz PYQOLUIFINJDMN-QZTJIDSGSA-N 0 3 375.469 0.641 20 0 GCADHN C[C@H](CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)NC(=O)C1CCCC1 ZINC000152704754 1187009009 /nfs/dbraw/zinc/00/90/09/1187009009.db2.gz LTKSLXBSIUPCTN-NVXWUHKLSA-N 0 3 378.517 0.836 20 0 GCADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000584193746 1187012919 /nfs/dbraw/zinc/01/29/19/1187012919.db2.gz CYIVKLMVEYUDNG-HKUYNNGSSA-N 0 3 388.447 0.477 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc(-c4ccccc4)o3)CCN2C1=O ZINC000584243465 1187020952 /nfs/dbraw/zinc/02/09/52/1187020952.db2.gz BXQRJCINRMBPEH-GOEBONIOSA-N 0 3 382.420 0.333 20 0 GCADHN COC(=O)c1cc(NC(=O)CN[C@H](CO)C2CCOCC2)cc(C(=O)OC)c1 ZINC000611809915 1187021626 /nfs/dbraw/zinc/02/16/26/1187021626.db2.gz VAVXAOMTHQEGFY-MRXNPFEDSA-N 0 3 394.424 0.575 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(C3(C)OCCO3)cc2)CC1 ZINC000278713788 1187027676 /nfs/dbraw/zinc/02/76/76/1187027676.db2.gz IGMGLLFZZIEXHL-UHFFFAOYSA-N 0 3 383.514 0.822 20 0 GCADHN CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000584302737 1187028623 /nfs/dbraw/zinc/02/86/23/1187028623.db2.gz MKONDJBEKYEJFI-SJORKVTESA-N 0 3 387.484 0.351 20 0 GCADHN CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000584302735 1187028967 /nfs/dbraw/zinc/02/89/67/1187028967.db2.gz MKONDJBEKYEJFI-IAGOWNOFSA-N 0 3 387.484 0.351 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000584335996 1187033880 /nfs/dbraw/zinc/03/38/80/1187033880.db2.gz OESGPDTXUXLCTC-KRWDZBQOSA-N 0 3 378.473 0.918 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)CC2CC2)cc1)NC[C@]1(O)CN2CCC1CC2 ZINC000584360266 1187040441 /nfs/dbraw/zinc/04/04/41/1187040441.db2.gz BOXUNCROPKCQHI-FQEVSTJZSA-N 0 3 392.521 0.986 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000611838517 1187046028 /nfs/dbraw/zinc/04/60/28/1187046028.db2.gz LCQMETISEFRZPK-GOSISDBHSA-N 0 3 394.560 0.794 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000611838162 1187046037 /nfs/dbraw/zinc/04/60/37/1187046037.db2.gz GRYZCYJOJFFHOT-HUUCEWRRSA-N 0 3 380.533 0.986 20 0 GCADHN CN1C(=O)CC[C@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000584406955 1187052704 /nfs/dbraw/zinc/05/27/04/1187052704.db2.gz CTOMMFHEWCHNAT-SJORKVTESA-N 0 3 388.468 0.724 20 0 GCADHN CN1C(=O)CC[C@@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000584406953 1187052930 /nfs/dbraw/zinc/05/29/30/1187052930.db2.gz CTOMMFHEWCHNAT-IAGOWNOFSA-N 0 3 388.468 0.724 20 0 GCADHN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584422106 1187056807 /nfs/dbraw/zinc/05/68/07/1187056807.db2.gz MDCKTEFBVOPLNO-ZWKOTPCHSA-N 0 3 396.495 0.980 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000685303346 1187059065 /nfs/dbraw/zinc/05/90/65/1187059065.db2.gz AKVCNUUDYUNANF-WMLDXEAASA-N 0 3 376.526 0.991 20 0 GCADHN CC[C@H](C)N[C@@H](CNC(=O)CNS(=O)(=O)c1cn(C)cn1)c1ccco1 ZINC000584442230 1187065742 /nfs/dbraw/zinc/06/57/42/1187065742.db2.gz APUFMVRWYABPER-STQMWFEESA-N 0 3 383.474 0.537 20 0 GCADHN O=C(NC[C@H]1COCCO1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000143143590 1187080321 /nfs/dbraw/zinc/08/03/21/1187080321.db2.gz RVYJORRHZWAMNO-KRWDZBQOSA-N 0 3 393.509 0.748 20 0 GCADHN COCCN1CCC(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000141462230 1187080681 /nfs/dbraw/zinc/08/06/81/1187080681.db2.gz KOBFXIBIXVGTQR-KUHUBIRLSA-N 0 3 380.489 0.714 20 0 GCADHN Cn1cnnc1CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000143071614 1187080707 /nfs/dbraw/zinc/08/07/07/1187080707.db2.gz JOWVHGSIEFLJGQ-UHFFFAOYSA-N 0 3 388.497 0.661 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(-c3csnn3)cc2)CC1 ZINC000141777702 1187080794 /nfs/dbraw/zinc/08/07/94/1187080794.db2.gz OKDRUQXKRDPVFK-UHFFFAOYSA-N 0 3 388.497 0.897 20 0 GCADHN COC[C@@H](C)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000142393739 1187081547 /nfs/dbraw/zinc/08/15/47/1187081547.db2.gz ZHTLUBQLQDYGTB-AWEZNQCLSA-N 0 3 390.484 0.721 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)CC1 ZINC000728592177 1187082390 /nfs/dbraw/zinc/08/23/90/1187082390.db2.gz VUKSSIQKASDACP-UHFFFAOYSA-N 0 3 393.465 0.286 20 0 GCADHN CN1CCN(CCCCNC(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000146533535 1187085483 /nfs/dbraw/zinc/08/54/83/1187085483.db2.gz SUJCAGRQRLKQOF-UHFFFAOYSA-N 0 3 390.532 0.745 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)o1 ZINC000685340168 1187104070 /nfs/dbraw/zinc/10/40/70/1187104070.db2.gz PKAQSBXKTPMGFD-RDJZCZTQSA-N 0 3 380.489 0.314 20 0 GCADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1ccccc1 ZINC001211623773 1187107455 /nfs/dbraw/zinc/10/74/55/1187107455.db2.gz SSBYGMVRGOGSDO-QXCFHYIPSA-N 0 3 388.512 0.426 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@H]1CN(C)CCO1 ZINC000685344482 1187110710 /nfs/dbraw/zinc/11/07/10/1187110710.db2.gz XLNMNEYCEYXDGS-CRAIPNDOSA-N 0 3 394.491 0.551 20 0 GCADHN CCOCCCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000070678851 1187120632 /nfs/dbraw/zinc/12/06/32/1187120632.db2.gz ZXSUFRXMLMDTQK-UHFFFAOYSA-N 0 3 390.484 0.865 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000511282973 1187121481 /nfs/dbraw/zinc/12/14/81/1187121481.db2.gz CFMYMQYCMHZGCR-HNNXBMFYSA-N 0 3 388.534 0.330 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000685407411 1187124909 /nfs/dbraw/zinc/12/49/09/1187124909.db2.gz KQWWHHVIXABQCV-BRWVUGGUSA-N 0 3 378.517 0.156 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1ccnn1C ZINC000685484272 1187134496 /nfs/dbraw/zinc/13/44/96/1187134496.db2.gz YOKYDORLMLYXOW-QGZVFWFLSA-N 0 3 392.548 0.372 20 0 GCADHN COCCN1CCC(NC(=O)NCc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000140310528 1187134558 /nfs/dbraw/zinc/13/45/58/1187134558.db2.gz SPDVOGZVSFEXDX-UHFFFAOYSA-N 0 3 384.502 0.968 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)CCN1CC(C)(C)O ZINC000685501643 1187137789 /nfs/dbraw/zinc/13/77/89/1187137789.db2.gz VRXRTLJCZPPSCT-DOTOQJQBSA-N 0 3 380.533 0.423 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)CCN1CC(C)(C)O ZINC000685501645 1187138044 /nfs/dbraw/zinc/13/80/44/1187138044.db2.gz VRXRTLJCZPPSCT-RDJZCZTQSA-N 0 3 380.533 0.423 20 0 GCADHN COCCN(CCN(C)C)C(=O)NCCN1Cc2ccccc2OCC1=O ZINC000924517117 1187144588 /nfs/dbraw/zinc/14/45/88/1187144588.db2.gz QUGYCZDVDGWLRW-UHFFFAOYSA-N 0 3 378.473 0.627 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000375777092 1187145422 /nfs/dbraw/zinc/14/54/22/1187145422.db2.gz PXGJCWKYOPCJEK-MRXNPFEDSA-N 0 3 376.432 0.496 20 0 GCADHN CCCNC(=O)CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000143035650 1187156819 /nfs/dbraw/zinc/15/68/19/1187156819.db2.gz ALTVZUINYIXJJP-UHFFFAOYSA-N 0 3 392.525 0.859 20 0 GCADHN CNC(=O)c1ccc(CNCCN(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1 ZINC001267407093 1187169627 /nfs/dbraw/zinc/16/96/27/1187169627.db2.gz FZKNUNSVGLMZNE-OKZBNKHCSA-N 0 3 375.469 0.646 20 0 GCADHN Cc1nc2ccccn2c(=O)c1CCN1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000685574334 1187171260 /nfs/dbraw/zinc/17/12/60/1187171260.db2.gz UQGLYFUUXCSORZ-LJQANCHMSA-N 0 3 384.480 0.897 20 0 GCADHN Cc1nc2ccccn2c(=O)c1CCN1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000685574333 1187171293 /nfs/dbraw/zinc/17/12/93/1187171293.db2.gz UQGLYFUUXCSORZ-IBGZPJMESA-N 0 3 384.480 0.897 20 0 GCADHN O=C(CNS(=O)(=O)c1cccnc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000685602585 1187177422 /nfs/dbraw/zinc/17/74/22/1187177422.db2.gz DVOHFLGMAONHKO-HNNXBMFYSA-N 0 3 382.486 0.073 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000287477302 1187190722 /nfs/dbraw/zinc/19/07/22/1187190722.db2.gz OKILUPSPOCFETK-HCXYKTFWSA-N 0 3 387.480 0.830 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cncc(OCC(F)(F)F)n3)[C@@H]2C1 ZINC000658027375 1187231354 /nfs/dbraw/zinc/23/13/54/1187231354.db2.gz MPBISJABZHONBM-WDEREUQCSA-N 0 3 387.362 0.909 20 0 GCADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1=O ZINC000612044318 1187245099 /nfs/dbraw/zinc/24/50/99/1187245099.db2.gz LHYCKJUSLGJLSI-HRCADAONSA-N 0 3 378.517 0.883 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000612045571 1187245521 /nfs/dbraw/zinc/24/55/21/1187245521.db2.gz VDHBALJYRNXBJB-RTBURBONSA-N 0 3 392.544 0.690 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2cccnc2)C[C@@H](C)O1 ZINC000612058220 1187246853 /nfs/dbraw/zinc/24/68/53/1187246853.db2.gz XJPYJTHKJFGAMW-HUUCEWRRSA-N 0 3 384.502 0.366 20 0 GCADHN COCCNCC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000648203720 1187249984 /nfs/dbraw/zinc/24/99/84/1187249984.db2.gz BBNLKYPSQGZBJW-INIZCTEOSA-N 0 3 381.448 0.195 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc(CN(C)C)c3)C2)O1 ZINC001024128579 1187258668 /nfs/dbraw/zinc/25/86/68/1187258668.db2.gz VQRNOIQUXCMTBU-BNEJOLLZSA-N 0 3 375.469 0.617 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001024131578 1187261157 /nfs/dbraw/zinc/26/11/57/1187261157.db2.gz KLTUHSMDRCQHKI-AXUOBQJMSA-N 0 3 389.496 0.865 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1O ZINC001024135055 1187262543 /nfs/dbraw/zinc/26/25/43/1187262543.db2.gz LAFXKURXABBMEC-SJQORLFUSA-N 0 3 387.480 0.617 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001024134937 1187262678 /nfs/dbraw/zinc/26/26/78/1187262678.db2.gz JTRHSYWURMEIQN-PILAGYSTSA-N 0 3 375.469 0.475 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000658262381 1187262692 /nfs/dbraw/zinc/26/26/92/1187262692.db2.gz SYTFIESJDGXTAL-AWEZNQCLSA-N 0 3 396.513 0.864 20 0 GCADHN COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1-n1cnnn1 ZINC000658262072 1187262765 /nfs/dbraw/zinc/26/27/65/1187262765.db2.gz RHOFHNKDISTPCQ-ZDUSSCGKSA-N 0 3 387.444 0.598 20 0 GCADHN COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1-n1cnnn1 ZINC000658262071 1187262953 /nfs/dbraw/zinc/26/29/53/1187262953.db2.gz RHOFHNKDISTPCQ-CYBMUJFWSA-N 0 3 387.444 0.598 20 0 GCADHN CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000647388246 1187266890 /nfs/dbraw/zinc/26/68/90/1187266890.db2.gz HZDXAGKDHXVEPL-OAGGEKHMSA-N 0 3 376.505 0.933 20 0 GCADHN CCn1ccc(NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)n1 ZINC000658496187 1187318110 /nfs/dbraw/zinc/31/81/10/1187318110.db2.gz LXGYOWJPNZTVQV-UHFFFAOYSA-N 0 3 386.412 0.950 20 0 GCADHN O=C(C(=O)N1CCC[C@@H]1CN1CCCCC1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000658507623 1187323014 /nfs/dbraw/zinc/32/30/14/1187323014.db2.gz WGHBWPBKBNMFDM-ZWKOTPCHSA-N 0 3 390.528 0.934 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000658570103 1187350038 /nfs/dbraw/zinc/35/00/38/1187350038.db2.gz KEGDUSJQAYWIAV-UHFFFAOYSA-N 0 3 392.544 0.500 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC000612177798 1187358497 /nfs/dbraw/zinc/35/84/97/1187358497.db2.gz MLNILRLFTGKKJY-LSDHHAIUSA-N 0 3 388.468 0.517 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1)N1CCCC1 ZINC001024378551 1187376302 /nfs/dbraw/zinc/37/63/02/1187376302.db2.gz RTBDIKHKBFYMQE-RRCSTGOVSA-N 0 3 375.473 0.076 20 0 GCADHN C[C@H]1CN(CCO)CCN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000636012946 1187387925 /nfs/dbraw/zinc/38/79/25/1187387925.db2.gz ZACJHKBJEGRDQT-AWEZNQCLSA-N 0 3 375.473 0.442 20 0 GCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)C(=O)NC2=O ZINC000647413798 1187394712 /nfs/dbraw/zinc/39/47/12/1187394712.db2.gz HTLXFNDUZHGIKG-MRXNPFEDSA-N 0 3 379.416 0.719 20 0 GCADHN CN(C[C@H]1COCCO1)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612221002 1187408315 /nfs/dbraw/zinc/40/83/15/1187408315.db2.gz NEGOHERGZLMGOQ-SFHVURJKSA-N 0 3 390.484 0.284 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)Cc3cn(C)nn3)cc2)CC1 ZINC000658677111 1187408891 /nfs/dbraw/zinc/40/88/91/1187408891.db2.gz ZMGJIHFUPURQAS-UHFFFAOYSA-N 0 3 399.499 0.550 20 0 GCADHN C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000612222155 1187410930 /nfs/dbraw/zinc/41/09/30/1187410930.db2.gz ZWBNGEQEBJNFFX-HXUWFJFHSA-N 0 3 387.484 0.134 20 0 GCADHN CN(CCn1cccn1)C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612225836 1187412440 /nfs/dbraw/zinc/41/24/40/1187412440.db2.gz IAJKSXPYCASIAV-UHFFFAOYSA-N 0 3 384.484 0.765 20 0 GCADHN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612225411 1187412946 /nfs/dbraw/zinc/41/29/46/1187412946.db2.gz ADJBRIXQKLNDRX-OAHLLOKOSA-N 0 3 387.484 0.147 20 0 GCADHN Cc1nc2n(n1)CCN(C(=O)C(=O)NCC1CCN(Cc3ccncc3)CC1)C2 ZINC000612227083 1187413400 /nfs/dbraw/zinc/41/34/00/1187413400.db2.gz RKYMAYOXBDGKEQ-UHFFFAOYSA-N 0 3 397.483 0.352 20 0 GCADHN O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N1CCc2c[nH]nc2C1 ZINC000612225266 1187413653 /nfs/dbraw/zinc/41/36/53/1187413653.db2.gz ZJHFUGOHXSLRDI-UHFFFAOYSA-N 0 3 382.468 0.718 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)[C@H](C)CN1CCO ZINC000636036184 1187430464 /nfs/dbraw/zinc/43/04/64/1187430464.db2.gz YLRGYQPWJSOBFD-HUUCEWRRSA-N 0 3 389.500 0.831 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000658751089 1187438109 /nfs/dbraw/zinc/43/81/09/1187438109.db2.gz GUDQHZZTVHVYEP-UHFFFAOYSA-N 0 3 395.510 0.510 20 0 GCADHN Cc1ccccc1-n1cc(C(=O)NCCCCN2CCN(CCO)CC2)nn1 ZINC000413622369 1187444006 /nfs/dbraw/zinc/44/40/06/1187444006.db2.gz FESXVEOTRHDTGU-UHFFFAOYSA-N 0 3 386.500 0.696 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000588982579 1187456021 /nfs/dbraw/zinc/45/60/21/1187456021.db2.gz OLQNCGRBJMKLDB-KRWDZBQOSA-N 0 3 383.537 0.293 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)C1 ZINC000658777611 1187456500 /nfs/dbraw/zinc/45/65/00/1187456500.db2.gz HYSDVJOEZVQJNV-AWEZNQCLSA-N 0 3 397.497 0.779 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)C1 ZINC000658779616 1187457063 /nfs/dbraw/zinc/45/70/63/1187457063.db2.gz SBRBMLVRZOCNSW-ZDUSSCGKSA-N 0 3 378.429 0.098 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1 ZINC000658777114 1187457857 /nfs/dbraw/zinc/45/78/57/1187457857.db2.gz DHPPOOBLRBKCPP-INIZCTEOSA-N 0 3 381.498 0.813 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCC(=O)NCC)cc2)C1 ZINC000658778180 1187458260 /nfs/dbraw/zinc/45/82/60/1187458260.db2.gz LBTCXILIUFUWGH-OAHLLOKOSA-N 0 3 376.457 0.741 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000658779936 1187459592 /nfs/dbraw/zinc/45/95/92/1187459592.db2.gz UPMXBLCCZVHMKN-OAHLLOKOSA-N 0 3 382.486 0.987 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000658778928 1187459835 /nfs/dbraw/zinc/45/98/35/1187459835.db2.gz OLYBHOLTHRILAA-OAHLLOKOSA-N 0 3 394.497 0.766 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC000375879044 1187465124 /nfs/dbraw/zinc/46/51/24/1187465124.db2.gz XKPJMLSTETXSFW-QGZVFWFLSA-N 0 3 394.541 0.835 20 0 GCADHN CC(C)[C@@H](CNC(=O)N1CCN(C[C@H]2CCCO2)CC1)N1CCN(C)CC1 ZINC000612337296 1187466369 /nfs/dbraw/zinc/46/63/69/1187466369.db2.gz PRAWFGDQEMIOQZ-RTBURBONSA-N 0 3 381.565 0.765 20 0 GCADHN CC(C)(C)OCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000612351796 1187470157 /nfs/dbraw/zinc/47/01/57/1187470157.db2.gz HQABWJQUIJNUOJ-UHFFFAOYSA-N 0 3 382.505 0.074 20 0 GCADHN COCCOc1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1OC ZINC000569867741 1187470799 /nfs/dbraw/zinc/47/07/99/1187470799.db2.gz MYOUKJTUPHHWFJ-KBPBESRZSA-N 0 3 378.429 0.496 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)n1cnc2c1ncnc2N ZINC000612414002 1187483799 /nfs/dbraw/zinc/48/37/99/1187483799.db2.gz ISGWGYQAONQWHG-XJKSGUPXSA-N 0 3 395.467 0.505 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000612482313 1187504236 /nfs/dbraw/zinc/50/42/36/1187504236.db2.gz LVPOPUGUGLUHHT-SFHVURJKSA-N 0 3 387.528 0.962 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000612482019 1187504607 /nfs/dbraw/zinc/50/46/07/1187504607.db2.gz IQLXNZLWXGALNR-KZNAEPCWSA-N 0 3 399.532 0.095 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000612483216 1187504888 /nfs/dbraw/zinc/50/48/88/1187504888.db2.gz YATGVYXDOCKUAO-INIZCTEOSA-N 0 3 376.505 0.753 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000612484457 1187505325 /nfs/dbraw/zinc/50/53/25/1187505325.db2.gz ALOQXUOLVUGWRJ-IRXDYDNUSA-N 0 3 394.516 0.073 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000612484953 1187505766 /nfs/dbraw/zinc/50/57/66/1187505766.db2.gz JQUZXDRCORLPEF-SJORKVTESA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000612487420 1187506167 /nfs/dbraw/zinc/50/61/67/1187506167.db2.gz VGSOFCXGVNMYGU-KRWDZBQOSA-N 0 3 380.533 0.546 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000612485756 1187506322 /nfs/dbraw/zinc/50/63/22/1187506322.db2.gz LGRXICPILBMGDA-QZTJIDSGSA-N 0 3 380.533 0.546 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000612488342 1187506633 /nfs/dbraw/zinc/50/66/33/1187506633.db2.gz ZKKQNFRKTHVICC-ZWKOTPCHSA-N 0 3 380.533 0.546 20 0 GCADHN O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000658800992 1187514327 /nfs/dbraw/zinc/51/43/27/1187514327.db2.gz DWPBRSOLFOWBKI-QGZVFWFLSA-N 0 3 384.440 0.575 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000612544000 1187518523 /nfs/dbraw/zinc/51/85/23/1187518523.db2.gz UZTQBVVDMKTITM-HIFRSBDPSA-N 0 3 396.513 0.454 20 0 GCADHN O=C(C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000658803474 1187519321 /nfs/dbraw/zinc/51/93/21/1187519321.db2.gz FFCMJMSSPPYNMT-KZNAEPCWSA-N 0 3 379.501 0.870 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3nc(CC)ns3)CC2)C1 ZINC000612548873 1187520623 /nfs/dbraw/zinc/52/06/23/1187520623.db2.gz SLDLKQISRBHULK-CYBMUJFWSA-N 0 3 380.518 0.350 20 0 GCADHN O=C(Nc1ccc(OC(F)F)nc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000658803869 1187521083 /nfs/dbraw/zinc/52/10/83/1187521083.db2.gz RBHHYPGJEGWKGW-CYBMUJFWSA-N 0 3 384.383 0.991 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)COCc2ccccc2)C1 ZINC000612548717 1187521200 /nfs/dbraw/zinc/52/12/00/1187521200.db2.gz QOZAATPFIAKIBT-MSOLQXFVSA-N 0 3 377.485 0.623 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCCN(c3nc(C)ns3)CC2)C1 ZINC000612548109 1187523177 /nfs/dbraw/zinc/52/31/77/1187523177.db2.gz KQQMRFCPOMSBKR-AWEZNQCLSA-N 0 3 380.518 0.486 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000685785098 1187529830 /nfs/dbraw/zinc/52/98/30/1187529830.db2.gz GYWVQAFWOZRIGO-KRWDZBQOSA-N 0 3 395.525 0.951 20 0 GCADHN O=C(Nc1ccc2c(c1)OCCO2)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000658806916 1187530659 /nfs/dbraw/zinc/53/06/59/1187530659.db2.gz LAFXVYBDAYEBEC-HNNXBMFYSA-N 0 3 375.425 0.766 20 0 GCADHN O=C(C(=O)N1CCN(C[C@@H]2CCCO2)CC1)N1CCC[C@@H]1CN1CCCCC1 ZINC000658810658 1187533397 /nfs/dbraw/zinc/53/33/97/1187533397.db2.gz NEKXLOYIYZHUIQ-MOPGFXCFSA-N 0 3 392.544 0.787 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000612591821 1187533772 /nfs/dbraw/zinc/53/37/72/1187533772.db2.gz JLDSOELZCHPZMB-SFHVURJKSA-N 0 3 391.512 0.774 20 0 GCADHN C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NC1CCN([C@@H]3CCOC3)CC1)C[C@@H](C)O2 ZINC000612595309 1187535487 /nfs/dbraw/zinc/53/54/87/1187535487.db2.gz VGJGAZHDOMGPJK-MXHNKVEKSA-N 0 3 395.500 0.151 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@@H](C(F)(F)F)O1 ZINC000612594889 1187535582 /nfs/dbraw/zinc/53/55/82/1187535582.db2.gz CZJMKBARXHCLRH-XBFCOCLRSA-N 0 3 393.406 0.534 20 0 GCADHN CC(C)OC[C@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCO1 ZINC000612595435 1187535645 /nfs/dbraw/zinc/53/56/45/1187535645.db2.gz WTHMPBSAISFYEM-IAGOWNOFSA-N 0 3 383.489 0.008 20 0 GCADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NC1CCN([C@@H]3CCOC3)CC1)C[C@@H](C)O2 ZINC000612595306 1187535664 /nfs/dbraw/zinc/53/56/64/1187535664.db2.gz VGJGAZHDOMGPJK-DOHHPOSVSA-N 0 3 395.500 0.151 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000612594631 1187535680 /nfs/dbraw/zinc/53/56/80/1187535680.db2.gz NZMQXTAMMSQDBC-MSOLQXFVSA-N 0 3 379.501 0.774 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H](C(F)(F)F)O1 ZINC000612594888 1187535828 /nfs/dbraw/zinc/53/58/28/1187535828.db2.gz CZJMKBARXHCLRH-MRVWCRGKSA-N 0 3 393.406 0.534 20 0 GCADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NC1CCN([C@@H]3CCOC3)CC1)C[C@@H](C)O2 ZINC000612595308 1187535905 /nfs/dbraw/zinc/53/59/05/1187535905.db2.gz VGJGAZHDOMGPJK-MJEZEWASSA-N 0 3 395.500 0.151 20 0 GCADHN COc1ccc2c(c1)CCN(C(=O)C(=O)NC1CCN([C@@H]3CCOC3)CC1)C2 ZINC000612592346 1187537367 /nfs/dbraw/zinc/53/73/67/1187537367.db2.gz OUSJHQHSDNIGHO-GOSISDBHSA-N 0 3 387.480 0.949 20 0 GCADHN Cc1ccc([C@H]2COCCN2C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)o1 ZINC000612598305 1187537827 /nfs/dbraw/zinc/53/78/27/1187537827.db2.gz BQXOTPZGIDPQPQ-DLBZAZTESA-N 0 3 391.468 0.857 20 0 GCADHN C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612599393 1187538478 /nfs/dbraw/zinc/53/84/78/1187538478.db2.gz VICUPOMJDTVHPV-LPHOPBHVSA-N 0 3 389.496 0.766 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCOC[C@@H]1c1ccco1 ZINC000612599114 1187538652 /nfs/dbraw/zinc/53/86/52/1187538652.db2.gz PJMZAPITBHUXCC-JKSUJKDBSA-N 0 3 377.441 0.549 20 0 GCADHN C[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612599395 1187538718 /nfs/dbraw/zinc/53/87/18/1187538718.db2.gz VICUPOMJDTVHPV-VQIMIIECSA-N 0 3 389.496 0.766 20 0 GCADHN COc1ccc2c(c1)CN(C(=O)C(=O)NC1CCN([C@H]3CCOC3)CC1)CC2 ZINC000612604030 1187540131 /nfs/dbraw/zinc/54/01/31/1187540131.db2.gz OUPMKLORMPDDLN-SFHVURJKSA-N 0 3 387.480 0.949 20 0 GCADHN CCOC(=O)c1sc(CNC(=O)C(=O)NC[C@@H]2CCCN2CC)nc1C ZINC000588995374 1187545738 /nfs/dbraw/zinc/54/57/38/1187545738.db2.gz FKSWHWKFRHKFLR-LBPRGKRZSA-N 0 3 382.486 0.845 20 0 GCADHN CCOC(=O)c1sc(CNC(=O)C(=O)N(C)CCN2CCCC2)nc1C ZINC000588996841 1187548651 /nfs/dbraw/zinc/54/86/51/1187548651.db2.gz OVUHZSACPZARCH-UHFFFAOYSA-N 0 3 382.486 0.799 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CC(C)C)C1 ZINC000413894910 1187569219 /nfs/dbraw/zinc/56/92/19/1187569219.db2.gz PUDSCOHLRHZHNW-GOEBONIOSA-N 0 3 393.488 0.046 20 0 GCADHN COCCN(C)CCOc1cccc(CNS(=O)(=O)c2ccn(C)n2)c1 ZINC000570327558 1187574744 /nfs/dbraw/zinc/57/47/44/1187574744.db2.gz YCBIHUNDQVJCSI-UHFFFAOYSA-N 0 3 382.486 0.856 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000612784093 1187583724 /nfs/dbraw/zinc/58/37/24/1187583724.db2.gz JJWFPZSUMYQWJE-GOEBONIOSA-N 0 3 395.529 0.639 20 0 GCADHN CC(C)[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000570429606 1187599862 /nfs/dbraw/zinc/59/98/62/1187599862.db2.gz SQVMPCHZVULNNA-UHFFFAOYSA-N 0 3 376.457 0.181 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cn1 ZINC000413945460 1187606066 /nfs/dbraw/zinc/60/60/66/1187606066.db2.gz MQTVUTNHIMCQJS-HDMKZQKVSA-N 0 3 377.489 0.507 20 0 GCADHN O=C(CO)N1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000376113268 1187612695 /nfs/dbraw/zinc/61/26/95/1187612695.db2.gz HNLDASJREDBFKC-MRXNPFEDSA-N 0 3 381.423 0.807 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2nnc(-c3ncccn3)n2CC2CC2)CC1 ZINC000612950996 1187625135 /nfs/dbraw/zinc/62/51/35/1187625135.db2.gz JZPLYXRNXJXXHX-UHFFFAOYSA-N 0 3 396.499 0.890 20 0 GCADHN CNC(=O)c1ccc(C)c(NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000148603708 1187628489 /nfs/dbraw/zinc/62/84/89/1187628489.db2.gz OMCLZLUQDSEXFI-UHFFFAOYSA-N 0 3 376.457 0.520 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000685830491 1187637238 /nfs/dbraw/zinc/63/72/38/1187637238.db2.gz KVCPCUVOTWLUTH-WBVHZDCISA-N 0 3 393.532 0.787 20 0 GCADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000613088855 1187662258 /nfs/dbraw/zinc/66/22/58/1187662258.db2.gz SVJQFYLOLSGDSE-OIISXLGYSA-N 0 3 383.514 0.313 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)N1CCCC1 ZINC001024912037 1187686151 /nfs/dbraw/zinc/68/61/51/1187686151.db2.gz YPQZKCUZBJSVIM-FIDHJVLJSA-N 0 3 379.501 0.364 20 0 GCADHN COc1ccc([C@H](CN2CCCC2)NC(=O)CNS(=O)(=O)N(C)C)cc1 ZINC000613172765 1187687550 /nfs/dbraw/zinc/68/75/50/1187687550.db2.gz ITTSOFFPPUSVCW-INIZCTEOSA-N 0 3 384.502 0.344 20 0 GCADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)CNS(=O)(=O)N(C)C)cc1 ZINC000613172767 1187687783 /nfs/dbraw/zinc/68/77/83/1187687783.db2.gz ITTSOFFPPUSVCW-MRXNPFEDSA-N 0 3 384.502 0.344 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)N1CCCCC1 ZINC001024910848 1187687827 /nfs/dbraw/zinc/68/78/27/1187687827.db2.gz DNGNICGKFKXBRW-QXDIGNSFSA-N 0 3 393.528 0.754 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)N(C)C[C@@H]3C)n[nH]2)[C@@H](C)CN1C ZINC000613189870 1187694582 /nfs/dbraw/zinc/69/45/82/1187694582.db2.gz ABSCTGCXNDFOIX-XGUBFFRZSA-N 0 3 376.505 0.739 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)N(C)C[C@@H]3C)[nH]n2)[C@@H](C)CN1C ZINC000613189870 1187694586 /nfs/dbraw/zinc/69/45/86/1187694586.db2.gz ABSCTGCXNDFOIX-XGUBFFRZSA-N 0 3 376.505 0.739 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001024917163 1187695549 /nfs/dbraw/zinc/69/55/49/1187695549.db2.gz KUOUIQPWIZDMFA-IRIQXGSBSA-N 0 3 399.491 0.473 20 0 GCADHN CC[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000658876326 1187703225 /nfs/dbraw/zinc/70/32/25/1187703225.db2.gz TZXBTHBUZPJHIS-IAGOWNOFSA-N 0 3 378.517 0.790 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N(CCN3CCOCC3)CC3CC3)[C@@H]2C1 ZINC000658879997 1187709453 /nfs/dbraw/zinc/70/94/53/1187709453.db2.gz UUDOLPWLYYHUIV-ZWKOTPCHSA-N 0 3 378.517 0.110 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@H]1O ZINC001024957155 1187715659 /nfs/dbraw/zinc/71/56/59/1187715659.db2.gz ASZRPZHHAAGTKE-MJSCVDMRSA-N 0 3 386.427 0.891 20 0 GCADHN Cc1cc(Cn2nnc(C(=O)Nc3ccc(=O)n(CCN(C)C)c3)c2C)on1 ZINC000292535341 1187732405 /nfs/dbraw/zinc/73/24/05/1187732405.db2.gz PKEZSAAIXUUEDQ-UHFFFAOYSA-N 0 3 385.428 0.907 20 0 GCADHN CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001025000651 1187741779 /nfs/dbraw/zinc/74/17/79/1187741779.db2.gz JRVMXZUFNZXSCE-HZMVEIRTSA-N 0 3 381.517 0.610 20 0 GCADHN C[C@H](NC(=O)CN1CCCN(C[C@@H]2CCCO2)CC1)C(=O)N1CCCCC1 ZINC000613421005 1187743496 /nfs/dbraw/zinc/74/34/96/1187743496.db2.gz MNWWWCHTFNSARZ-ROUUACIJSA-N 0 3 380.533 0.690 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCCC[C@@H]1CNCc1cc(=O)n2nccc2[nH]1 ZINC001025023899 1187757055 /nfs/dbraw/zinc/75/70/55/1187757055.db2.gz CAEPVBWYCLDBBH-UWGWQUPMSA-N 0 3 397.479 0.917 20 0 GCADHN C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@H](C)N1CCOCC1 ZINC000376314711 1187757961 /nfs/dbraw/zinc/75/79/61/1187757961.db2.gz CVFRQPMTCNYWSY-CIQAELJKSA-N 0 3 395.548 0.478 20 0 GCADHN NS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000332736988 1187759466 /nfs/dbraw/zinc/75/94/66/1187759466.db2.gz YUVCFERQZMNZRG-IRXDYDNUSA-N 0 3 396.513 0.350 20 0 GCADHN COCCn1c(C)c(C)nc1S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C ZINC000414212809 1187766239 /nfs/dbraw/zinc/76/62/39/1187766239.db2.gz SSIPWQAAYJDVHA-GFCCVEGCSA-N 0 3 388.490 0.933 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000332775745 1187769752 /nfs/dbraw/zinc/76/97/52/1187769752.db2.gz MXXNEYFIQHPHCD-SQNIBIBYSA-N 0 3 379.549 0.960 20 0 GCADHN COC(=O)c1cccnc1S(=O)(=O)C(C)C(=O)NC(=O)NCC(F)(F)F ZINC000414223200 1187773432 /nfs/dbraw/zinc/77/34/32/1187773432.db2.gz PMQFOXGFXQPIAN-SSDOTTSWSA-N 0 3 397.331 0.419 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)[C@H]2C1 ZINC000332835486 1187787898 /nfs/dbraw/zinc/78/78/98/1187787898.db2.gz DNCHJXCWATVJOF-WMZOPIPTSA-N 0 3 377.533 0.666 20 0 GCADHN C[C@@H](NC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C1=CCN(C)CC1 ZINC000332832098 1187788454 /nfs/dbraw/zinc/78/84/54/1187788454.db2.gz FZJONTKPZVISEU-SJORKVTESA-N 0 3 377.533 0.975 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1 ZINC000376408151 1187820940 /nfs/dbraw/zinc/82/09/40/1187820940.db2.gz OCGGUJKHVSVYAB-LLVKDONJSA-N 0 3 376.465 0.408 20 0 GCADHN CCCN(CCN1CCCCC1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000376409793 1187822659 /nfs/dbraw/zinc/82/26/59/1187822659.db2.gz UPJPKOOTUZHQJM-IAGOWNOFSA-N 0 3 399.557 0.747 20 0 GCADHN COC(=O)c1cc(F)ccc1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000533912061 1187828087 /nfs/dbraw/zinc/82/80/87/1187828087.db2.gz UKOYIZYQVAYUAT-AWEZNQCLSA-N 0 3 388.461 0.983 20 0 GCADHN CCOC1CC(CNC(=O)CCN2CCN(CC)CC2)(N2CCOCC2)C1 ZINC000376426586 1187832831 /nfs/dbraw/zinc/83/28/31/1187832831.db2.gz HNLIYFMITNNGIM-UHFFFAOYSA-N 0 3 382.549 0.400 20 0 GCADHN COCC(=O)N1CCc2cc(NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)ccc21 ZINC000659009579 1187840414 /nfs/dbraw/zinc/84/04/14/1187840414.db2.gz IXFZRYUFVFWNAT-UHFFFAOYSA-N 0 3 386.412 0.498 20 0 GCADHN CCN1CCN(CCC(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000376460999 1187853746 /nfs/dbraw/zinc/85/37/46/1187853746.db2.gz KMCQPZAETWWXSX-MSOLQXFVSA-N 0 3 396.532 0.910 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000659061760 1187855475 /nfs/dbraw/zinc/85/54/75/1187855475.db2.gz YJZMXFYKHCTICM-KRWDZBQOSA-N 0 3 380.533 0.642 20 0 GCADHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000659061763 1187855722 /nfs/dbraw/zinc/85/57/22/1187855722.db2.gz YJZMXFYKHCTICM-QGZVFWFLSA-N 0 3 380.533 0.642 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N1CC[C@@](O)(C2CC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000376468456 1187862247 /nfs/dbraw/zinc/86/22/47/1187862247.db2.gz KLJHBARWQAPOSH-LXIYXOSZSA-N 0 3 381.498 0.747 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccn(-c4ccccc4)n3)C2)nn1 ZINC000659088495 1187872955 /nfs/dbraw/zinc/87/29/55/1187872955.db2.gz XLNIQTXYEOHNQH-MRXNPFEDSA-N 0 3 394.439 0.725 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001267591347 1187874060 /nfs/dbraw/zinc/87/40/60/1187874060.db2.gz NOTUPZAOGFWKKU-BMFZPTHFSA-N 0 3 384.440 0.637 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001267591349 1187874200 /nfs/dbraw/zinc/87/42/00/1187874200.db2.gz NOTUPZAOGFWKKU-FVQBIDKESA-N 0 3 384.440 0.637 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000892649825 1187878201 /nfs/dbraw/zinc/87/82/01/1187878201.db2.gz NIDGXKCDRMBMKL-KSZLIROESA-N 0 3 396.532 0.909 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000892649824 1187878441 /nfs/dbraw/zinc/87/84/41/1187878441.db2.gz NIDGXKCDRMBMKL-BZSNNMDCSA-N 0 3 396.532 0.909 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCOC12CCOCC2 ZINC000892649420 1187879193 /nfs/dbraw/zinc/87/91/93/1187879193.db2.gz PAASMTXRYXALFT-HOTGVXAUSA-N 0 3 382.505 0.566 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1cnc2n1CCOC2 ZINC000892648658 1187879854 /nfs/dbraw/zinc/87/98/54/1187879854.db2.gz KRHHSGAMFNCQHY-OAHLLOKOSA-N 0 3 378.477 0.155 20 0 GCADHN CCc1nsc(N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)n1 ZINC000376487869 1187880661 /nfs/dbraw/zinc/88/06/61/1187880661.db2.gz YHUAOGBMNSUNFN-KBPBESRZSA-N 0 3 380.518 0.795 20 0 GCADHN COCCOc1cc(C)ccc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659110626 1187886369 /nfs/dbraw/zinc/88/63/69/1187886369.db2.gz NYRPXUHQEPOCJN-UHFFFAOYSA-N 0 3 389.412 0.229 20 0 GCADHN CC(C)(C)Cc1csc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)n1 ZINC000659110469 1187886481 /nfs/dbraw/zinc/88/64/81/1187886481.db2.gz JOLHTGYVCUYKBI-UHFFFAOYSA-N 0 3 378.458 0.941 20 0 GCADHN CCOc1cc(Cl)ccc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659110819 1187887010 /nfs/dbraw/zinc/88/70/10/1187887010.db2.gz VIEDHKWXGGJRKU-UHFFFAOYSA-N 0 3 379.804 0.948 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCCC3)n1 ZINC000659111076 1187887264 /nfs/dbraw/zinc/88/72/64/1187887264.db2.gz YWYUTWHAKFTRGQ-UHFFFAOYSA-N 0 3 383.408 0.805 20 0 GCADHN CCC[C@@H]1CN(c2nnc(C)n2CCS(=O)(=O)NC)CCN1CCOC ZINC001745331933 1187888744 /nfs/dbraw/zinc/88/87/44/1187888744.db2.gz MKNSNNONJRSZHL-OAHLLOKOSA-N 0 3 388.538 0.073 20 0 GCADHN CC(C)C(=O)N1CCC(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000103122492 1187891139 /nfs/dbraw/zinc/89/11/39/1187891139.db2.gz KRDMHTIJJBGGOD-UHFFFAOYSA-N 0 3 378.517 0.648 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)cc2)n1 ZINC000659111280 1187891193 /nfs/dbraw/zinc/89/11/93/1187891193.db2.gz FNZCZLZEAFJAEQ-UHFFFAOYSA-N 0 3 399.329 0.837 20 0 GCADHN CN(C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCc3n[nH]nc32)c1 ZINC000613539530 1187895343 /nfs/dbraw/zinc/89/53/43/1187895343.db2.gz ZOWYEBZCKKAGTF-CQSZACIVSA-N 0 3 392.485 0.703 20 0 GCADHN O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000659132795 1187900222 /nfs/dbraw/zinc/90/02/22/1187900222.db2.gz GSCHXHDNGVSHKT-QZTJIDSGSA-N 0 3 379.501 0.870 20 0 GCADHN CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000659159517 1187904155 /nfs/dbraw/zinc/90/41/55/1187904155.db2.gz RCSKVUAPLHLUNH-HNNXBMFYSA-N 0 3 379.505 0.335 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000636455450 1187905561 /nfs/dbraw/zinc/90/55/61/1187905561.db2.gz ABALQODSCAVNPW-SFHVURJKSA-N 0 3 389.500 0.669 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C2CCC2)CC1 ZINC000659168881 1187906351 /nfs/dbraw/zinc/90/63/51/1187906351.db2.gz IHQWKYXEKZKTRF-IAGOWNOFSA-N 0 3 376.501 0.543 20 0 GCADHN CCN(Cc1ccoc1)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659243626 1187919774 /nfs/dbraw/zinc/91/97/74/1187919774.db2.gz QJKFXOUYCLTJRH-UHFFFAOYSA-N 0 3 376.457 0.395 20 0 GCADHN CN(CCN1CCOCC1)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000659267916 1187923315 /nfs/dbraw/zinc/92/33/15/1187923315.db2.gz NKWISZPENOTBKH-IBGZPJMESA-N 0 3 388.512 0.510 20 0 GCADHN CCOCC(=O)NNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000066699731 1187949355 /nfs/dbraw/zinc/94/93/55/1187949355.db2.gz XMEOKEIELQUFDB-QGZVFWFLSA-N 0 3 377.489 0.732 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1)C1=CCN(C)CC1 ZINC000589190323 1187950500 /nfs/dbraw/zinc/95/05/00/1187950500.db2.gz YALKSDKYRLWFCA-UKRRQHHQSA-N 0 3 381.473 0.322 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000647651470 1187957899 /nfs/dbraw/zinc/95/78/99/1187957899.db2.gz NOBNBOQTRDJBSX-JFIYKMOQSA-N 0 3 397.541 0.965 20 0 GCADHN COc1ccccc1N1CC[C@@H](CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659447002 1187959075 /nfs/dbraw/zinc/95/90/75/1187959075.db2.gz ATTVCQSFQHGXOQ-ZDUSSCGKSA-N 0 3 386.456 0.975 20 0 GCADHN CCc1cc(N2CCC(NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)ncn1 ZINC000659463299 1187961893 /nfs/dbraw/zinc/96/18/93/1187961893.db2.gz RUOQQTWFEXGNFG-UHFFFAOYSA-N 0 3 386.460 0.462 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659480907 1187963763 /nfs/dbraw/zinc/96/37/63/1187963763.db2.gz CDSLZKXJIQXZAK-GFCCVEGCSA-N 0 3 393.469 0.611 20 0 GCADHN Cc1ccc(CN2CC[C@@H](NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2=O)cc1 ZINC000659484957 1187964993 /nfs/dbraw/zinc/96/49/93/1187964993.db2.gz CDNYSFYITHDHNZ-OAHLLOKOSA-N 0 3 384.440 0.550 20 0 GCADHN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659491927 1187965364 /nfs/dbraw/zinc/96/53/64/1187965364.db2.gz GCUPQVGUJLJONA-NSHDSACASA-N 0 3 393.469 0.995 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)n1 ZINC000659492014 1187965497 /nfs/dbraw/zinc/96/54/97/1187965497.db2.gz PWOTXHUNXHZQNE-ZDUSSCGKSA-N 0 3 385.428 0.747 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCN2C(=O)c3ccccc3C2=O)n1 ZINC000659495187 1187965624 /nfs/dbraw/zinc/96/56/24/1187965624.db2.gz ILDBUINRFMRKOM-UHFFFAOYSA-N 0 3 384.396 0.126 20 0 GCADHN COC[C@@]1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)OCCc2ccccc21 ZINC000659494694 1187966055 /nfs/dbraw/zinc/96/60/55/1187966055.db2.gz ZZTPQLPYCMDGJY-LJQANCHMSA-N 0 3 387.440 0.555 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)CCO1 ZINC000659521482 1187967891 /nfs/dbraw/zinc/96/78/91/1187967891.db2.gz MUAHTIJAUIQDAJ-UWJYYQICSA-N 0 3 387.480 0.824 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000376603560 1187968616 /nfs/dbraw/zinc/96/86/16/1187968616.db2.gz CKRDYLYRKDEGAJ-INIZCTEOSA-N 0 3 381.521 0.045 20 0 GCADHN CN(C)S(=O)(=O)CCCN1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001481103379 1187969454 /nfs/dbraw/zinc/96/94/54/1187969454.db2.gz GKWGNGUXXXNWOU-JHMPBIJASA-N 0 3 385.530 0.129 20 0 GCADHN O=C(N[C@@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000973486197 1187969998 /nfs/dbraw/zinc/96/99/98/1187969998.db2.gz AOUXBDSPFMGHDR-CULWEFFVSA-N 0 3 375.469 0.181 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)NCCN3C[C@H]4CCCCN4C3=O)C2)nn1 ZINC000659610502 1187976138 /nfs/dbraw/zinc/97/61/38/1187976138.db2.gz MZAHLJOESPBPIT-CVEARBPZSA-N 0 3 390.492 0.373 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)NCCN3C[C@H]4CCCCN4C3=O)C2)nn1 ZINC000659610507 1187976740 /nfs/dbraw/zinc/97/67/40/1187976740.db2.gz MZAHLJOESPBPIT-HZPDHXFCSA-N 0 3 390.492 0.373 20 0 GCADHN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659631058 1187978454 /nfs/dbraw/zinc/97/84/54/1187978454.db2.gz PMGYKDTYQZICCO-UHFFFAOYSA-N 0 3 384.396 0.079 20 0 GCADHN CC(C)c1ccnc(N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)n1 ZINC000659631278 1187978553 /nfs/dbraw/zinc/97/85/53/1187978553.db2.gz UCXYDBRUFWBCLO-UHFFFAOYSA-N 0 3 386.460 0.586 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)n1 ZINC000659631008 1187978710 /nfs/dbraw/zinc/97/87/10/1187978710.db2.gz YTWUJFROCHHDTH-LJQANCHMSA-N 0 3 389.431 0.917 20 0 GCADHN Cc1ccccc1CC(=O)N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000659633772 1187979673 /nfs/dbraw/zinc/97/96/73/1187979673.db2.gz YBDUJOOEHSEYFE-UHFFFAOYSA-N 0 3 398.467 0.546 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](C)[C@H](CCNCC(=O)Nc2cnccn2)C1 ZINC001104694937 1187992721 /nfs/dbraw/zinc/99/27/21/1187992721.db2.gz CKFVPYMICRMFGK-ADAWSYLGSA-N 0 3 375.473 0.914 20 0 GCADHN CCC(CC)[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCO1 ZINC000659676151 1187995069 /nfs/dbraw/zinc/99/50/69/1187995069.db2.gz FEFNMUIOJUNGGD-OCCSQVGLSA-N 0 3 379.461 0.357 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CCOc3ccc(F)cc32)n1 ZINC000659675944 1187995201 /nfs/dbraw/zinc/99/52/01/1187995201.db2.gz UKRZNHAKFBABOJ-GFCCVEGCSA-N 0 3 375.360 0.036 20 0 GCADHN COc1cccc(Cl)c1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659683691 1187995808 /nfs/dbraw/zinc/99/58/08/1187995808.db2.gz AGPKFBUEFUXTLD-UHFFFAOYSA-N 0 3 379.804 0.236 20 0 GCADHN COc1ccc([C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C(C)C)cc1 ZINC000659682146 1187998761 /nfs/dbraw/zinc/99/87/61/1187998761.db2.gz UGWQXRQASDIVJJ-KRWDZBQOSA-N 0 3 387.440 0.779 20 0 GCADHN COCC[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(C)o1 ZINC000659702155 1188004712 /nfs/dbraw/zinc/00/47/12/1188004712.db2.gz OABYZHIJTCKMRN-GFCCVEGCSA-N 0 3 377.401 0.053 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H](C)[C@@H]1OC ZINC000659701008 1188005145 /nfs/dbraw/zinc/00/51/45/1188005145.db2.gz BADRBKAJFLLKKU-KMUNFCNLSA-N 0 3 379.461 0.213 20 0 GCADHN CCC(CC)c1cc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)on1 ZINC000659703192 1188005626 /nfs/dbraw/zinc/00/56/26/1188005626.db2.gz XHTIMWVZWLYFBR-UHFFFAOYSA-N 0 3 376.417 0.465 20 0 GCADHN CCO[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C12CCCCC2 ZINC000659702779 1188005775 /nfs/dbraw/zinc/00/57/75/1188005775.db2.gz UNOVESHMJRONOS-KGLIPLIRSA-N 0 3 391.472 0.501 20 0 GCADHN O=C(NCc1cccc(COC[C@H]2CCCO2)c1)C(=O)NC[C@H]1CNCCO1 ZINC000659726061 1188010411 /nfs/dbraw/zinc/01/04/11/1188010411.db2.gz BDZBHPWOFZUHBA-QZTJIDSGSA-N 0 3 391.468 0.103 20 0 GCADHN CCN1CCN([C@H]2CCN(C(=O)NC[C@H](C(C)C)N3CCOCC3)C2)CC1 ZINC000106525014 1188012700 /nfs/dbraw/zinc/01/27/00/1188012700.db2.gz MBQGCTSDFVJMTD-RBUKOAKNSA-N 0 3 381.565 0.765 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1F ZINC000376690338 1188014100 /nfs/dbraw/zinc/01/41/00/1188014100.db2.gz VWHPXMYNJOUSRX-CYBMUJFWSA-N 0 3 398.460 0.369 20 0 GCADHN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415312837 1188028760 /nfs/dbraw/zinc/02/87/60/1188028760.db2.gz UHBGETUHAFMCOK-UHFFFAOYSA-N 0 3 382.486 0.524 20 0 GCADHN COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415313620 1188029037 /nfs/dbraw/zinc/02/90/37/1188029037.db2.gz VTHTUKDAFDYYAC-UHFFFAOYSA-N 0 3 385.424 0.728 20 0 GCADHN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C(=O)N1CCCNCC1 ZINC000415314202 1188029717 /nfs/dbraw/zinc/02/97/17/1188029717.db2.gz XGKCIBOYUPWMTA-UHFFFAOYSA-N 0 3 389.481 0.893 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)N2CCCNCC2)c2cccnc12 ZINC000415331009 1188046473 /nfs/dbraw/zinc/04/64/73/1188046473.db2.gz ZLOHGEFFGPLSEL-UHFFFAOYSA-N 0 3 386.408 0.547 20 0 GCADHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)N1CCCCC1 ZINC001025762969 1188047332 /nfs/dbraw/zinc/04/73/32/1188047332.db2.gz SSUMZPLIIUDVTN-HHARLNAUSA-N 0 3 379.501 0.506 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](N)c2ccccc2)c2ccccc2O1 ZINC000415386273 1188069807 /nfs/dbraw/zinc/06/98/07/1188069807.db2.gz GCFPUXANWBIEIS-YOEHRIQHSA-N 0 3 382.420 0.343 20 0 GCADHN CC(C)CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCN(C)CC1 ZINC000377575147 1188078164 /nfs/dbraw/zinc/07/81/64/1188078164.db2.gz LHWQZLVKDJCTMA-SFHVURJKSA-N 0 3 394.560 0.746 20 0 GCADHN COCCN1CC[C@H](NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)C1 ZINC000377586327 1188082347 /nfs/dbraw/zinc/08/23/47/1188082347.db2.gz UROPIUSOUOZHDO-AUSJPIAWSA-N 0 3 394.516 0.960 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](CC(N)=O)C1 ZINC000377598948 1188085086 /nfs/dbraw/zinc/08/50/86/1188085086.db2.gz CKFFHRGIUOCLAL-XQQFMLRXSA-N 0 3 382.486 0.097 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)cc1OC ZINC000415488392 1188090370 /nfs/dbraw/zinc/09/03/70/1188090370.db2.gz HYBKDPQPOFBXQG-CYBMUJFWSA-N 0 3 398.485 0.606 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000415518366 1188097365 /nfs/dbraw/zinc/09/73/65/1188097365.db2.gz IURQCZGPTMUMEH-RYUDHWBXSA-N 0 3 398.485 0.591 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)C1 ZINC000377759962 1188131501 /nfs/dbraw/zinc/13/15/01/1188131501.db2.gz JTNUZTPOHZLDJJ-HUUCEWRRSA-N 0 3 376.457 0.820 20 0 GCADHN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c2)n[nH]1 ZINC000377789574 1188137941 /nfs/dbraw/zinc/13/79/41/1188137941.db2.gz ZDZBXTFDYAYORU-CVEARBPZSA-N 0 3 384.440 0.698 20 0 GCADHN CC(=O)NC1CCC(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000549335432 1188141863 /nfs/dbraw/zinc/14/18/63/1188141863.db2.gz RUTZYRPNXLJZKS-OFLPRAFFSA-N 0 3 381.521 0.676 20 0 GCADHN COC(=O)N1CCC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000728715086 1188145119 /nfs/dbraw/zinc/14/51/19/1188145119.db2.gz GVOGTSJMFKYDLB-HNNXBMFYSA-N 0 3 381.477 0.167 20 0 GCADHN COC(=O)COc1ccc([C@H](C)NCCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000467197320 1188160852 /nfs/dbraw/zinc/16/08/52/1188160852.db2.gz SLINHRQKSZEZNC-ZDUSSCGKSA-N 0 3 396.469 0.601 20 0 GCADHN COC(=O)[C@H](CC(C)C)NC(=O)CN1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000377917355 1189370649 /nfs/dbraw/zinc/37/06/49/1189370649.db2.gz SWIAOGXUYVOZFU-ROUUACIJSA-N 0 3 382.549 0.791 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(CC(=O)NCC(C)(C)N3CCOCC3)C2)CC1 ZINC000377921204 1189372827 /nfs/dbraw/zinc/37/28/27/1189372827.db2.gz XNTGRKHOQFXBOJ-IBGZPJMESA-N 0 3 395.592 0.314 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1-n1cnnn1 ZINC000377922214 1189373686 /nfs/dbraw/zinc/37/36/86/1189373686.db2.gz YKLUTBRMNWUXLC-AWEZNQCLSA-N 0 3 385.428 0.306 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000472905417 1189373760 /nfs/dbraw/zinc/37/37/60/1189373760.db2.gz WBCUGACFUOWSRE-HNNXBMFYSA-N 0 3 397.545 0.883 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000472915011 1189384811 /nfs/dbraw/zinc/38/48/11/1189384811.db2.gz QNEPTFVKFZSCAY-INIZCTEOSA-N 0 3 393.507 0.810 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000415862472 1189385629 /nfs/dbraw/zinc/38/56/29/1189385629.db2.gz KIJCKESSGVXGCQ-JTQLQIEISA-N 0 3 379.310 0.810 20 0 GCADHN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415861723 1189385799 /nfs/dbraw/zinc/38/57/99/1189385799.db2.gz JLVLHNMXAWYKRH-CQSZACIVSA-N 0 3 377.832 0.877 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(OCCc2ccccc2)nc1 ZINC000415867401 1189388924 /nfs/dbraw/zinc/38/89/24/1189388924.db2.gz PAHNTICTGKVZLJ-KRWDZBQOSA-N 0 3 384.436 0.746 20 0 GCADHN CCCc1c(NC(=O)C(=O)NC[C@H]2CNCCO2)cnn1-c1cc(C)ccn1 ZINC000415863470 1189390740 /nfs/dbraw/zinc/39/07/40/1189390740.db2.gz LHXXOJQMRQDECB-CQSZACIVSA-N 0 3 386.456 0.571 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000415873842 1189391379 /nfs/dbraw/zinc/39/13/79/1189391379.db2.gz ZEDRBKOCJHCOOY-KRWDZBQOSA-N 0 3 388.468 0.792 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000415872817 1189393792 /nfs/dbraw/zinc/39/37/92/1189393792.db2.gz XPCYXEVHDIYAMO-GFCCVEGCSA-N 0 3 395.822 0.767 20 0 GCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000472925890 1189402509 /nfs/dbraw/zinc/40/25/09/1189402509.db2.gz MQHYPAYZGVMIHJ-ROUUACIJSA-N 0 3 396.580 0.254 20 0 GCADHN CCN1C(=O)[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CCN2C1=O ZINC000377999165 1189402881 /nfs/dbraw/zinc/40/28/81/1189402881.db2.gz ILIUEPAPWPPPKZ-GOSISDBHSA-N 0 3 399.495 0.694 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000377994594 1189403401 /nfs/dbraw/zinc/40/34/01/1189403401.db2.gz LCPZABVOLAHETL-OAHLLOKOSA-N 0 3 384.502 0.760 20 0 GCADHN CN(C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)[C@H]1CCCN(C)C1 ZINC000893168700 1189434606 /nfs/dbraw/zinc/43/46/06/1189434606.db2.gz VPJLOYVPAVPMDE-HNNXBMFYSA-N 0 3 398.533 0.309 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000378187010 1189440940 /nfs/dbraw/zinc/44/09/40/1189440940.db2.gz YJMZDWZBGMEVNM-INIZCTEOSA-N 0 3 388.468 0.635 20 0 GCADHN O=c1[nH]c2ccc(S(=O)(=O)N[C@@H]3CCN(C4CCCC4)C3)cc2c(=O)[nH]1 ZINC000106891515 1189445254 /nfs/dbraw/zinc/44/52/54/1189445254.db2.gz HKOBTSDGTHHLAX-LLVKDONJSA-N 0 3 378.454 0.512 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)N1CCCC1 ZINC000041598444 1189452314 /nfs/dbraw/zinc/45/23/14/1189452314.db2.gz IPRLPRACMLUACO-CQSZACIVSA-N 0 3 376.457 0.693 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)ccc1C ZINC000041599499 1189452644 /nfs/dbraw/zinc/45/26/44/1189452644.db2.gz HSHWEHNPFRQQMR-CYBMUJFWSA-N 0 3 382.486 0.442 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)ccc1C ZINC000041599503 1189453302 /nfs/dbraw/zinc/45/33/02/1189453302.db2.gz HSHWEHNPFRQQMR-ZDUSSCGKSA-N 0 3 382.486 0.442 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCCC1 ZINC000041597443 1189453929 /nfs/dbraw/zinc/45/39/29/1189453929.db2.gz BMFLEKUKHIEHMB-ZDUSSCGKSA-N 0 3 382.486 0.476 20 0 GCADHN CCNC(=O)c1cccc(NC(=O)C(=O)NCCCN2CCN(CC)CC2)c1 ZINC000041720888 1189457474 /nfs/dbraw/zinc/45/74/74/1189457474.db2.gz KRHJTXZFLKKBBK-UHFFFAOYSA-N 0 3 389.500 0.519 20 0 GCADHN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CC[C@H](N2CCN(CC)CC2)C1 ZINC000107368826 1189457532 /nfs/dbraw/zinc/45/75/32/1189457532.db2.gz UWGLOCDISNDNOG-ZWKOTPCHSA-N 0 3 380.533 0.642 20 0 GCADHN COC(=O)c1cc(S(N)(=O)=O)ccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000378296663 1189467549 /nfs/dbraw/zinc/46/75/49/1189467549.db2.gz VEKHSLSKIDOZSY-ZDUSSCGKSA-N 0 3 383.470 0.786 20 0 GCADHN O=C(COc1ccc(CCNC(=O)[C@@H]2CN3CCN2CCC3)cc1)NC1CC1 ZINC000378305839 1189468331 /nfs/dbraw/zinc/46/83/31/1189468331.db2.gz NCXWRPLILJMHKP-IBGZPJMESA-N 0 3 386.496 0.393 20 0 GCADHN CCNC(=O)COc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1OC ZINC000378303502 1189470386 /nfs/dbraw/zinc/47/03/86/1189470386.db2.gz DTXKQVHAHTXKPI-MRXNPFEDSA-N 0 3 390.484 0.216 20 0 GCADHN COC(=O)[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)Cc1ccccc1OC ZINC000378309487 1189471307 /nfs/dbraw/zinc/47/13/07/1189471307.db2.gz NUSXBJANKMOZKO-IRXDYDNUSA-N 0 3 375.469 0.533 20 0 GCADHN COC(=O)[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)Cc1ccccc1OC ZINC000378309488 1189471998 /nfs/dbraw/zinc/47/19/98/1189471998.db2.gz NUSXBJANKMOZKO-SJORKVTESA-N 0 3 375.469 0.533 20 0 GCADHN CCOc1ccc(C[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C(=O)OC)cc1 ZINC000378310544 1189472811 /nfs/dbraw/zinc/47/28/11/1189472811.db2.gz CTXZSFOIWHSEQG-IEBWSBKVSA-N 0 3 389.496 0.923 20 0 GCADHN C[C@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC[C@H]1N1CCN(C)CC1 ZINC000378314617 1189473804 /nfs/dbraw/zinc/47/38/04/1189473804.db2.gz HSALOJVUNAHISX-GOEBONIOSA-N 0 3 398.529 0.427 20 0 GCADHN CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)[C@H](C)C1 ZINC000659976491 1189497669 /nfs/dbraw/zinc/49/76/69/1189497669.db2.gz DQLNBHBQHBMDJT-VQIMIIECSA-N 0 3 386.496 0.799 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC(O)(CN2CCOCC2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000378409557 1189499627 /nfs/dbraw/zinc/49/96/27/1189499627.db2.gz MIFJLDRAONXBOA-CEXWTWQISA-N 0 3 397.560 0.806 20 0 GCADHN CCN1CCN(CCCNC(=O)[C@@H](C)NC(=O)COc2ccccc2)CC1 ZINC000042773382 1189504392 /nfs/dbraw/zinc/50/43/92/1189504392.db2.gz ZRJSTOLLNSAOAT-QGZVFWFLSA-N 0 3 376.501 0.714 20 0 GCADHN COc1cccc(CN(C)C(=O)CN2CCC(O)(CN3CCOCC3)CC2)c1 ZINC000378430211 1189504512 /nfs/dbraw/zinc/50/45/12/1189504512.db2.gz NPKAMFSOORRSCV-UHFFFAOYSA-N 0 3 391.512 0.813 20 0 GCADHN COC(=O)c1cc(C2CN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)C2)[nH]n1 ZINC000893236132 1189505120 /nfs/dbraw/zinc/50/51/20/1189505120.db2.gz DTZABEZDLJBQBR-CYBMUJFWSA-N 0 3 378.477 0.189 20 0 GCADHN C[C@@H](CNC(=O)NC[C@@]1(c2cnn(C)c2)CCCO1)CN1CCN(C)CC1 ZINC000893235992 1189505581 /nfs/dbraw/zinc/50/55/81/1189505581.db2.gz CPHLTUFTASHTAR-QFBILLFUSA-N 0 3 378.521 0.609 20 0 GCADHN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1 ZINC000893238311 1189509926 /nfs/dbraw/zinc/50/99/26/1189509926.db2.gz RGFCFPSCWGDLJI-BRWVUGGUSA-N 0 3 399.536 0.008 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)NCC(=O)N3CCOCC3)CC2)C[C@@H](C)O1 ZINC000378448614 1189510918 /nfs/dbraw/zinc/51/09/18/1189510918.db2.gz CYMDHKZSWLMPAK-IAGOWNOFSA-N 0 3 396.532 0.766 20 0 GCADHN CC(=O)NC1CCC(N(C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000544109338 1189515455 /nfs/dbraw/zinc/51/54/55/1189515455.db2.gz VTIIQLKGZMHDHB-UHFFFAOYSA-N 0 3 390.484 0.943 20 0 GCADHN Cc1c(C(=O)NCC(=O)NCC2CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000378482081 1189516153 /nfs/dbraw/zinc/51/61/53/1189516153.db2.gz FLCQSYGOMQSOKR-UHFFFAOYSA-N 0 3 382.468 0.820 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000416493153 1189533808 /nfs/dbraw/zinc/53/38/08/1189533808.db2.gz CUCOIUWZQYIEBM-CQSZACIVSA-N 0 3 379.482 0.934 20 0 GCADHN C[C@@H](O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C)C1 ZINC000893259642 1189551663 /nfs/dbraw/zinc/55/16/63/1189551663.db2.gz UBKVXSDLCJKQLV-HZPDHXFCSA-N 0 3 383.514 0.599 20 0 GCADHN COC(=O)CNC(=O)CCN1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2F)C1 ZINC000363910353 1189570106 /nfs/dbraw/zinc/57/01/06/1189570106.db2.gz VUSNEMKQJGTQLM-KGLIPLIRSA-N 0 3 384.379 0.833 20 0 GCADHN C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000152993266 1189574838 /nfs/dbraw/zinc/57/48/38/1189574838.db2.gz IGIIIVDOBLLSNF-NVXWUHKLSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152993050 1189574886 /nfs/dbraw/zinc/57/48/86/1189574886.db2.gz IGIIIVDOBLLSNF-WBVHZDCISA-N 0 3 378.517 0.836 20 0 GCADHN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000660093024 1189584829 /nfs/dbraw/zinc/58/48/29/1189584829.db2.gz VHAJWZNCPLJVHD-ROUUACIJSA-N 0 3 387.546 0.638 20 0 GCADHN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000660093021 1189585046 /nfs/dbraw/zinc/58/50/46/1189585046.db2.gz VHAJWZNCPLJVHD-MSOLQXFVSA-N 0 3 387.546 0.638 20 0 GCADHN COc1ccc([C@@H](CNC(=O)NC[C@@H]2CNCCO2)N2CCOCC2)cc1 ZINC000416809622 1189585886 /nfs/dbraw/zinc/58/58/86/1189585886.db2.gz JHCZZQLVEXWAOR-ZWKOTPCHSA-N 0 3 378.473 0.356 20 0 GCADHN CCN1CCN(C(=O)CC2CCN([C@H](C)C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000108919340 1189595537 /nfs/dbraw/zinc/59/55/37/1189595537.db2.gz QGSJNRNQTVWYAE-IEBWSBKVSA-N 0 3 394.560 0.936 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000363987269 1189602913 /nfs/dbraw/zinc/60/29/13/1189602913.db2.gz KMLVGMLFASOHSL-RDTXWAMCSA-N 0 3 381.498 0.494 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000364001006 1189609024 /nfs/dbraw/zinc/60/90/24/1189609024.db2.gz GHYKAPMQOBIQQC-INIZCTEOSA-N 0 3 392.504 0.984 20 0 GCADHN Cc1ncc(S(N)(=O)=O)cc1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000584663409 1189617313 /nfs/dbraw/zinc/61/73/13/1189617313.db2.gz BAPCRJSIESPYSU-BETUJISGSA-N 0 3 384.502 0.657 20 0 GCADHN CC[C@@H](C(=O)OC)N1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000511605227 1189620321 /nfs/dbraw/zinc/62/03/21/1189620321.db2.gz IXTFRZZUEAXCOZ-OALUTQOASA-N 0 3 390.528 0.975 20 0 GCADHN CCN1CCN(CCC(=O)N2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000364029067 1189622005 /nfs/dbraw/zinc/62/20/05/1189622005.db2.gz LPTNDLGPIKJDGA-OAHLLOKOSA-N 0 3 378.477 0.256 20 0 GCADHN CC[C@H](NC(=O)NC[C@H]1CNCCO1)c1ccccc1OCC(=O)N(C)C ZINC000417190374 1189631212 /nfs/dbraw/zinc/63/12/12/1189631212.db2.gz XGLZPISDAJGPCQ-ZBFHGGJFSA-N 0 3 378.473 0.892 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000584711420 1189635837 /nfs/dbraw/zinc/63/58/37/1189635837.db2.gz NTLUPALXGWVFSU-KZNAEPCWSA-N 0 3 380.533 0.737 20 0 GCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)CCC2 ZINC000584747245 1189651164 /nfs/dbraw/zinc/65/11/64/1189651164.db2.gz RNODLOQVFSYOIL-SJORKVTESA-N 0 3 389.500 0.720 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CN1Cc1ccccc1 ZINC000584785549 1189665023 /nfs/dbraw/zinc/66/50/23/1189665023.db2.gz UDJAGDFSZOFXSB-DJIMGWMZSA-N 0 3 380.514 0.983 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)OC)CC2)CC1=O ZINC000584806589 1189675237 /nfs/dbraw/zinc/67/52/37/1189675237.db2.gz FGSHHYQDOQIUSJ-JYJNAYRXSA-N 0 3 383.489 0.261 20 0 GCADHN C[C@]1(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCOC1 ZINC000584841685 1189688003 /nfs/dbraw/zinc/68/80/03/1189688003.db2.gz JXRCEAKBDDPAMK-WIYYLYMNSA-N 0 3 389.496 0.937 20 0 GCADHN COCCN(C)C[C@H](O)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000584849637 1189691589 /nfs/dbraw/zinc/69/15/89/1189691589.db2.gz IOOMKMMSFCEBDQ-XJKSGUPXSA-N 0 3 389.374 0.935 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1(c2ccccc2)CCCC1 ZINC000584850373 1189692295 /nfs/dbraw/zinc/69/22/95/1189692295.db2.gz UDWZJSJGKMXRDO-RYQLBKOJSA-N 0 3 398.507 0.774 20 0 GCADHN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000364175761 1189708933 /nfs/dbraw/zinc/70/89/33/1189708933.db2.gz WPQRBWYCDWYETQ-IPYPFGDCSA-N 0 3 385.411 0.867 20 0 GCADHN O=C(NCc1nc(C(F)(F)F)n[n-]1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418049412 1189715504 /nfs/dbraw/zinc/71/55/04/1189715504.db2.gz UDQFPWGCKGSAQR-ZETCQYMHSA-N 0 3 389.304 0.459 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC000364242635 1189720323 /nfs/dbraw/zinc/72/03/23/1189720323.db2.gz VWDHJRVODGCIQJ-QGZVFWFLSA-N 0 3 393.484 0.739 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NCC[C@H]1CCC[NH2+]C1 ZINC000418170814 1189731820 /nfs/dbraw/zinc/73/18/20/1189731820.db2.gz NMTGOHWDMVUVMI-GFCCVEGCSA-N 0 3 390.456 0.932 20 0 GCADHN C[C@@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)n1nnc(-c2ccccc2)n1 ZINC000364297506 1189736814 /nfs/dbraw/zinc/73/68/14/1189736814.db2.gz SJRUUUVJCFUIIS-WMLDXEAASA-N 0 3 397.483 0.842 20 0 GCADHN CC[C@H](NCc1ccc(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1)C(N)=O ZINC001267936692 1189738471 /nfs/dbraw/zinc/73/84/71/1189738471.db2.gz LJFICLHUAOVFGI-XLAORIBOSA-N 0 3 375.469 0.708 20 0 GCADHN COC1(CO)CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000660363353 1189741801 /nfs/dbraw/zinc/74/18/01/1189741801.db2.gz VWORTFGFLMIDHB-SFHVURJKSA-N 0 3 389.496 0.719 20 0 GCADHN Cn1ccnc(N2CCC[C@H](NC(=O)NC[C@H]3NCCc4ccccc43)C2)c1=O ZINC000581180770 1189762270 /nfs/dbraw/zinc/76/22/70/1189762270.db2.gz IDPCQKFFOBEWRM-FUHWJXTLSA-N 0 3 396.495 0.935 20 0 GCADHN C[C@@H]1CCCCN1CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000046858253 1189768855 /nfs/dbraw/zinc/76/88/55/1189768855.db2.gz GJPXDNSHVAQELR-CQSZACIVSA-N 0 3 384.502 0.640 20 0 GCADHN CCc1nc(S(=O)(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cn1CC1CC1 ZINC000658382597 1189771454 /nfs/dbraw/zinc/77/14/54/1189771454.db2.gz RLILVKGVODWJNN-OAHLLOKOSA-N 0 3 393.517 0.932 20 0 GCADHN COC(=O)c1c[nH]c(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1C1CC1 ZINC000893354326 1189773839 /nfs/dbraw/zinc/77/38/39/1189773839.db2.gz IRZJSMSWVLNOLI-OAHLLOKOSA-N 0 3 390.484 0.701 20 0 GCADHN Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000047046646 1189778736 /nfs/dbraw/zinc/77/87/36/1189778736.db2.gz QDNBGDVRECSQHG-HNNXBMFYSA-N 0 3 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C[C@H](CNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C)CN1CCN(C)CC1 ZINC000511692180 1189834194 /nfs/dbraw/zinc/83/41/94/1189834194.db2.gz ONVNLBFNPZGDIE-CYBMUJFWSA-N 0 3 389.456 0.070 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC(OCCO)CC2)C1 ZINC000660470356 1189842330 /nfs/dbraw/zinc/84/23/30/1189842330.db2.gz OJCZMROKSGLJHH-SFHVURJKSA-N 0 3 389.496 0.719 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC(OCCO)CC2)C1 ZINC000660470355 1189842776 /nfs/dbraw/zinc/84/27/76/1189842776.db2.gz OJCZMROKSGLJHH-GOSISDBHSA-N 0 3 389.496 0.719 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@H](C(F)(F)F)O1 ZINC000660477727 1189847676 /nfs/dbraw/zinc/84/76/76/1189847676.db2.gz IFGMUAQJQFATPG-UONOGXRCSA-N 0 3 394.438 0.261 20 0 GCADHN O=C(NCCN1CCCS1(=O)=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000660510477 1189873596 /nfs/dbraw/zinc/87/35/96/1189873596.db2.gz BDTFZIYQXYOMCN-UHFFFAOYSA-N 0 3 395.529 0.628 20 0 GCADHN CNC(=O)[C@H](CCSC)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000511808308 1189892889 /nfs/dbraw/zinc/89/28/89/1189892889.db2.gz MJDAPSDAIVDWEI-AWEZNQCLSA-N 0 3 380.514 0.979 20 0 GCADHN CN(CCc1ccccn1)C(=O)CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660552317 1189900603 /nfs/dbraw/zinc/90/06/03/1189900603.db2.gz PLCDKGSOJHBUON-SFHVURJKSA-N 0 3 389.500 0.635 20 0 GCADHN COCC1(NCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CCOCC1 ZINC000660633347 1189919289 /nfs/dbraw/zinc/91/92/89/1189919289.db2.gz FEXJPZLPAVOCMA-CYBMUJFWSA-N 0 3 397.497 0.397 20 0 GCADHN CN(C)C1(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@@H]3C2)CCC1 ZINC000975222271 1189925357 /nfs/dbraw/zinc/92/53/57/1189925357.db2.gz JUUFCLDBWVGWCQ-QKPAOTATSA-N 0 3 376.501 0.432 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)[C@@H]2C1 ZINC000975212587 1189926813 /nfs/dbraw/zinc/92/68/13/1189926813.db2.gz VZJOSOVQGSDRGV-LHHMISFZSA-N 0 3 379.501 0.582 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1)N1CCCCC1 ZINC000975221620 1189929688 /nfs/dbraw/zinc/92/96/88/1189929688.db2.gz 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CC(C)c1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)CC2)n1 ZINC000660861685 1189958282 /nfs/dbraw/zinc/95/82/82/1189958282.db2.gz RHFRCSLUXUIVLZ-DOTOQJQBSA-N 0 3 386.500 0.411 20 0 GCADHN O=C(Cn1cc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cn1)NCCO ZINC000651659127 1189961565 /nfs/dbraw/zinc/96/15/65/1189961565.db2.gz WYRLHKKKXDSPST-NWDGAFQWSA-N 0 3 378.351 0.678 20 0 GCADHN O=C(Cn1cc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cn1)NCCO ZINC000651659129 1189961682 /nfs/dbraw/zinc/96/16/82/1189961682.db2.gz WYRLHKKKXDSPST-VXGBXAGGSA-N 0 3 378.351 0.678 20 0 GCADHN NC(=O)[C@H]1CC[C@H](CNC(=O)NCC2CCN(Cc3ccncc3)CC2)O1 ZINC000660895072 1189964214 /nfs/dbraw/zinc/96/42/14/1189964214.db2.gz MUKAVJZXWRIQRN-IAGOWNOFSA-N 0 3 375.473 0.626 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000975762133 1189972323 /nfs/dbraw/zinc/97/23/23/1189972323.db2.gz VNWVNUPMRDGNCY-QAETUUGQSA-N 0 3 379.501 0.724 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000975769034 1189975328 /nfs/dbraw/zinc/97/53/28/1189975328.db2.gz UYEKCZAXSULZJS-MRHSLFKSSA-N 0 3 379.501 0.724 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C1 ZINC000975776380 1189976753 /nfs/dbraw/zinc/97/67/53/1189976753.db2.gz NPNBBKXKPZTGCP-MRHSLFKSSA-N 0 3 379.501 0.724 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000660993435 1189979543 /nfs/dbraw/zinc/97/95/43/1189979543.db2.gz GPACONGUTBANDY-IXDOHACOSA-N 0 3 376.501 0.400 20 0 GCADHN CCN(CCOCCO)C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000661126647 1189994324 /nfs/dbraw/zinc/99/43/24/1189994324.db2.gz OWYKDKGMPWYUDJ-GOSISDBHSA-N 0 3 377.485 0.577 20 0 GCADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@]2(c3ccccc3)CNC(=O)C2)CC1 ZINC000893424790 1189995345 /nfs/dbraw/zinc/99/53/45/1189995345.db2.gz MJORPBINHDWBJI-NRFANRHFSA-N 0 3 398.507 0.777 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC000976030586 1190001102 /nfs/dbraw/zinc/00/11/02/1190001102.db2.gz WUUSQSYAGOTCSF-DWRORGKVSA-N 0 3 393.528 0.972 20 0 GCADHN COc1ccc([C@H]2[C@H](C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CCC(=O)N2C)cc1 ZINC000662751429 1190017090 /nfs/dbraw/zinc/01/70/90/1190017090.db2.gz BNOWSLUFJIMKRY-BEFAXECRSA-N 0 3 399.451 0.875 20 0 GCADHN COc1ccc(CCC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(OC)c1OC ZINC000662750726 1190017409 /nfs/dbraw/zinc/01/74/09/1190017409.db2.gz FFFYGHQEAXJUAZ-UHFFFAOYSA-N 0 3 376.413 0.916 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662749620 1190018375 /nfs/dbraw/zinc/01/83/75/1190018375.db2.gz KBRXEBOGTCTQPU-VIFPVBQESA-N 0 3 399.860 0.278 20 0 GCADHN CCOc1ccccc1[C@@H](CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)NC(C)=O ZINC000662751838 1190019293 /nfs/dbraw/zinc/01/92/93/1190019293.db2.gz FDUBGPFMCHVREH-OAHLLOKOSA-N 0 3 387.440 0.923 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000661237374 1190019894 /nfs/dbraw/zinc/01/98/94/1190019894.db2.gz MLQPTQLNMPSDOQ-MOPGFXCFSA-N 0 3 392.544 0.642 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000661237509 1190020450 /nfs/dbraw/zinc/02/04/50/1190020450.db2.gz NKMONKSVGVLIFG-BBWFWOEESA-N 0 3 380.533 0.375 20 0 GCADHN O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(O)CNC1 ZINC000662757018 1190021273 /nfs/dbraw/zinc/02/12/73/1190021273.db2.gz JRGSHWODMDFSQT-UHFFFAOYSA-N 0 3 386.418 0.668 20 0 GCADHN CCN1CCCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1=O ZINC000661277154 1190024831 /nfs/dbraw/zinc/02/48/31/1190024831.db2.gz HZEYJHZLDXPJSL-SFHVURJKSA-N 0 3 386.496 0.800 20 0 GCADHN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H](CO)CN(C)C)cc(C3CC3)nc21 ZINC000647710520 1190041616 /nfs/dbraw/zinc/04/16/16/1190041616.db2.gz DJBPDHQAMPYKIH-GFCCVEGCSA-N 0 3 389.456 0.437 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](CN4CCOCC4)C3)[C@@H]2C1 ZINC000661403665 1190043724 /nfs/dbraw/zinc/04/37/24/1190043724.db2.gz YNPCGXPWVWUJHU-OKZBNKHCSA-N 0 3 378.517 0.110 20 0 GCADHN C[C@H](CO)[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000661435300 1190047960 /nfs/dbraw/zinc/04/79/60/1190047960.db2.gz RCRRUCINJFERKV-IAGOWNOFSA-N 0 3 382.549 0.528 20 0 GCADHN C[C@@H](CO)[C@@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000661442025 1190048907 /nfs/dbraw/zinc/04/89/07/1190048907.db2.gz JMZBAWKYBWOLBO-YOEHRIQHSA-N 0 3 383.514 0.476 20 0 GCADHN C[C@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000661462702 1190053734 /nfs/dbraw/zinc/05/37/34/1190053734.db2.gz INMGULPIYCKWFR-RDJZCZTQSA-N 0 3 382.468 0.914 20 0 GCADHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000595115066 1190064840 /nfs/dbraw/zinc/06/48/40/1190064840.db2.gz NRSPYRKMARXSAK-CQSZACIVSA-N 0 3 379.482 0.938 20 0 GCADHN CCN1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)C[C@H]1c1ncc[nH]1 ZINC000411034427 1193722428 /nfs/dbraw/zinc/72/24/28/1193722428.db2.gz XMZUGDJGGVPQJT-HOTGVXAUSA-N 0 3 376.505 0.556 20 0 GCADHN CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000411034854 1193722808 /nfs/dbraw/zinc/72/28/08/1193722808.db2.gz YFYUELJPRBKKDE-JKSUJKDBSA-N 0 3 382.505 0.023 20 0 GCADHN C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000411023955 1193723263 /nfs/dbraw/zinc/72/32/63/1193723263.db2.gz UGFFIVKFGOIYRI-QGZVFWFLSA-N 0 3 396.576 0.870 20 0 GCADHN COCCN1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000411026017 1193723805 /nfs/dbraw/zinc/72/38/05/1193723805.db2.gz BNFJZZVYIRBDOA-UHFFFAOYSA-N 0 3 382.530 0.429 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)CCN1CCOC ZINC000411029931 1193724012 /nfs/dbraw/zinc/72/40/12/1193724012.db2.gz QRUCTVFBOWNCFT-ZWKOTPCHSA-N 0 3 382.549 0.887 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(C)(C)[C@]1(O)CCCOC1 ZINC000663916981 1193727210 /nfs/dbraw/zinc/72/72/10/1193727210.db2.gz UBKXSPKWRIAGNW-UZLBHIALSA-N 0 3 398.548 0.796 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000759990202 1193727449 /nfs/dbraw/zinc/72/74/49/1193727449.db2.gz RTVHEIJQQKFACL-IAGOWNOFSA-N 0 3 375.473 0.983 20 0 GCADHN O=C(Nc1cccc(O[C@H]2CC(=O)N2)c1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000411230721 1193738871 /nfs/dbraw/zinc/73/88/71/1193738871.db2.gz VYQIQXDTBMCJCM-YJBOKZPZSA-N 0 3 386.452 0.937 20 0 GCADHN CCN1CCN(CCCNC(=O)C2(CC(=O)N3CCOCC3)CCCC2)CC1 ZINC000512733652 1193748038 /nfs/dbraw/zinc/74/80/38/1193748038.db2.gz MRSWFWDSOSBDCW-UHFFFAOYSA-N 0 3 394.560 0.940 20 0 GCADHN O=C(CN1CC[C@@]2(CNC(=O)C2)C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000333012159 1193767015 /nfs/dbraw/zinc/76/70/15/1193767015.db2.gz GASKHJAOAHVFRZ-OAQYLSRUSA-N 0 3 384.480 0.619 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c(OC)c1OC ZINC000419274277 1193781015 /nfs/dbraw/zinc/78/10/15/1193781015.db2.gz ILVDTUPAXJDHEH-DGCLKSJQSA-N 0 3 395.456 0.558 20 0 GCADHN N[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1 ZINC000419281963 1193784564 /nfs/dbraw/zinc/78/45/64/1193784564.db2.gz LLOLTDUMZQYGAU-MSOLQXFVSA-N 0 3 380.448 0.720 20 0 GCADHN CCCNC(=O)[C@H]1CCCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000250536119 1193784807 /nfs/dbraw/zinc/78/48/07/1193784807.db2.gz OVXQULKTCYUZGM-SJORKVTESA-N 0 3 388.516 0.752 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000419290721 1193787737 /nfs/dbraw/zinc/78/77/37/1193787737.db2.gz VWEFCMHTTHLREQ-HZPDHXFCSA-N 0 3 391.468 0.348 20 0 GCADHN CCOc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000419296228 1193791156 /nfs/dbraw/zinc/79/11/56/1193791156.db2.gz RNEXYWRQAGCLHC-OCCSQVGLSA-N 0 3 379.457 0.939 20 0 GCADHN CCOc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000419296227 1193791283 /nfs/dbraw/zinc/79/12/83/1193791283.db2.gz RNEXYWRQAGCLHC-JSGCOSHPSA-N 0 3 379.457 0.939 20 0 GCADHN CCCCOc1ccc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1OC ZINC000419299010 1193794594 /nfs/dbraw/zinc/79/45/94/1193794594.db2.gz XQBJIMKSAQHSEH-OAHLLOKOSA-N 0 3 379.457 0.595 20 0 GCADHN CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000473485977 1193794822 /nfs/dbraw/zinc/79/48/22/1193794822.db2.gz CNGSCRACGSNFDL-CQSZACIVSA-N 0 3 375.473 0.726 20 0 GCADHN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N2CCNCC2)CC1 ZINC000419303798 1193796771 /nfs/dbraw/zinc/79/67/71/1193796771.db2.gz SRTUSJQRPUTBGL-HNNXBMFYSA-N 0 3 391.491 0.577 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCNC[C@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419305337 1193797203 /nfs/dbraw/zinc/79/72/03/1193797203.db2.gz WMLJEXLGIUDXLD-CABCVRRESA-N 0 3 391.491 0.575 20 0 GCADHN CN1CCN(CCNC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1(C)C ZINC000333082946 1193802963 /nfs/dbraw/zinc/80/29/63/1193802963.db2.gz QWLRSFYCGUAWHA-UHFFFAOYSA-N 0 3 395.548 0.293 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000263241305 1193808195 /nfs/dbraw/zinc/80/81/95/1193808195.db2.gz LFTVCMKVHWCLMQ-XLIONFOSSA-N 0 3 390.528 0.835 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433353685 1193812459 /nfs/dbraw/zinc/81/24/59/1193812459.db2.gz MCLYYZMDTGWUEX-OLZOCXBDSA-N 0 3 385.486 0.483 20 0 GCADHN CN1CCN(c2ncc(CNC[C@H](N3CCOCC3)C(F)(F)F)cn2)CC1 ZINC000512977134 1193816007 /nfs/dbraw/zinc/81/60/07/1193816007.db2.gz GVQCSKFPCPBRIB-HNNXBMFYSA-N 0 3 388.438 0.581 20 0 GCADHN CCOC(=O)c1cc(F)cc(S(=O)(=O)NCCN2CCN(CC)CC2)c1 ZINC000433363833 1193816420 /nfs/dbraw/zinc/81/64/20/1193816420.db2.gz MJSYVPQPZAECEO-UHFFFAOYSA-N 0 3 387.477 0.918 20 0 GCADHN COC(=O)c1ccccc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000512988092 1193818013 /nfs/dbraw/zinc/81/80/13/1193818013.db2.gz UFRZTOFNRQZLSI-CQSZACIVSA-N 0 3 377.441 0.981 20 0 GCADHN CC[C@H]1CN(C)CCCN1C(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 ZINC000614343015 1193830034 /nfs/dbraw/zinc/83/00/34/1193830034.db2.gz ZKLIAJCJCNUEHE-HOTGVXAUSA-N 0 3 377.489 0.825 20 0 GCADHN O=C(NCCc1ccccc1OC(F)(F)F)C(=O)NC[C@H]1CNCCO1 ZINC000419338439 1193832951 /nfs/dbraw/zinc/83/29/51/1193832951.db2.gz SODGBKLMAITSEJ-GFCCVEGCSA-N 0 3 375.347 0.349 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cn1 ZINC000473493768 1193838151 /nfs/dbraw/zinc/83/81/51/1193838151.db2.gz YCQUVCQDPMMAJZ-HNNXBMFYSA-N 0 3 393.488 0.188 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000333192298 1193839297 /nfs/dbraw/zinc/83/92/97/1193839297.db2.gz VIVVAJGXMYVQFC-LSDHHAIUSA-N 0 3 395.529 0.837 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCC(F)(F)CN)cc2)CC1 ZINC000419347416 1193842958 /nfs/dbraw/zinc/84/29/58/1193842958.db2.gz WRTVISGLSIJBEQ-UHFFFAOYSA-N 0 3 397.470 0.151 20 0 GCADHN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)C(=O)NC[C@@H]1CNCCO1 ZINC000419350639 1193843627 /nfs/dbraw/zinc/84/36/27/1193843627.db2.gz WSACOAGYQUBKAO-INIZCTEOSA-N 0 3 388.399 0.734 20 0 GCADHN COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000419350915 1193846556 /nfs/dbraw/zinc/84/65/56/1193846556.db2.gz GMLULRAOXZQBCO-SJORKVTESA-N 0 3 390.484 0.159 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000576349807 1193859873 /nfs/dbraw/zinc/85/98/73/1193859873.db2.gz SRTZMTRDNIUWJQ-CYBMUJFWSA-N 0 3 379.482 0.934 20 0 GCADHN CN1CCC(N(Cc2ccccc2)C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000129031808 1193863227 /nfs/dbraw/zinc/86/32/27/1193863227.db2.gz SSCSYYQGDDBYOC-UHFFFAOYSA-N 0 3 379.526 0.840 20 0 GCADHN CCCNC(=O)CN(CCC)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000052247190 1193864156 /nfs/dbraw/zinc/86/41/56/1193864156.db2.gz GSYJYZIIVXWSAB-UHFFFAOYSA-N 0 3 376.505 0.754 20 0 GCADHN CN(C)CCN(CCCc1ccccc1)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000576403231 1193872224 /nfs/dbraw/zinc/87/22/24/1193872224.db2.gz IITSAIZQNNUOFT-UHFFFAOYSA-N 0 3 384.546 0.748 20 0 GCADHN COCCO[C@@H]1COCC[C@H]1NC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000576407850 1193875147 /nfs/dbraw/zinc/87/51/47/1193875147.db2.gz OUCZDSNBBZZFGW-GUDVDZBRSA-N 0 3 398.548 0.617 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000408461596 1193877574 /nfs/dbraw/zinc/87/75/74/1193877574.db2.gz ATIQPVNIHXLGQG-INIZCTEOSA-N 0 3 394.541 0.882 20 0 GCADHN C[C@H]1NC(=O)CC[C@H]1NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000333261362 1193879763 /nfs/dbraw/zinc/87/97/63/1193879763.db2.gz FULJBFRFGFSBGB-NVXWUHKLSA-N 0 3 378.517 0.884 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(C(=O)OC)cc2OC)CC1 ZINC000469061668 1193883263 /nfs/dbraw/zinc/88/32/63/1193883263.db2.gz WLQGPHHTIZDDEJ-CQSZACIVSA-N 0 3 399.513 0.786 20 0 GCADHN CC1(C)[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C[C@@H]1OCc1ccccc1 ZINC000419386255 1193895258 /nfs/dbraw/zinc/89/52/58/1193895258.db2.gz PPDZROMRSLXOOZ-BBWFWOEESA-N 0 3 375.469 0.591 20 0 GCADHN COC(=O)[C@@H]1[C@@H](CNC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1(F)F ZINC000894202007 1193902135 /nfs/dbraw/zinc/90/21/35/1193902135.db2.gz BAIAXZZUMCAGPV-GHJWDPDVSA-N 0 3 384.379 0.955 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCCN(CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000052694467 1193905738 /nfs/dbraw/zinc/90/57/38/1193905738.db2.gz WFHULHVRECGERR-MRXNPFEDSA-N 0 3 396.513 0.664 20 0 GCADHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000614441948 1193914317 /nfs/dbraw/zinc/91/43/17/1193914317.db2.gz FQIPSTDODAIDBO-AWEZNQCLSA-N 0 3 380.493 0.097 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000261693714 1193923629 /nfs/dbraw/zinc/92/36/29/1193923629.db2.gz IRIAOACFBAEQOH-QGZVFWFLSA-N 0 3 383.500 0.500 20 0 GCADHN COc1ccc([C@H](CNC(=O)[C@H](N)C2CCOCC2)N2CCOCC2)cc1 ZINC000261747372 1193924873 /nfs/dbraw/zinc/92/48/73/1193924873.db2.gz KYUVESZGIZSRHT-RBUKOAKNSA-N 0 3 377.485 0.939 20 0 GCADHN N[C@@H](C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)C1CCOCC1 ZINC000261845469 1193928895 /nfs/dbraw/zinc/92/88/95/1193928895.db2.gz QZYLBMUSHIZCKM-QGZVFWFLSA-N 0 3 381.498 0.664 20 0 GCADHN N[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 ZINC000261867263 1193929306 /nfs/dbraw/zinc/92/93/06/1193929306.db2.gz SRHYOBBSTUIJAE-INIZCTEOSA-N 0 3 383.470 0.400 20 0 GCADHN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262031232 1193936745 /nfs/dbraw/zinc/93/67/45/1193936745.db2.gz GXLPETWAKLNUFJ-KRWDZBQOSA-N 0 3 392.456 0.348 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)cc1OC ZINC000262110812 1193939496 /nfs/dbraw/zinc/93/94/96/1193939496.db2.gz VRECNJSASXOVQR-SFHVURJKSA-N 0 3 391.468 0.742 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000262115253 1193939510 /nfs/dbraw/zinc/93/95/10/1193939510.db2.gz MXLWGOHOYRVONS-SFHVURJKSA-N 0 3 393.463 0.008 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000513352729 1193941382 /nfs/dbraw/zinc/94/13/82/1193941382.db2.gz RIPIPRCKNPOXMQ-UHFFFAOYSA-N 0 3 387.546 0.542 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000262222740 1193942192 /nfs/dbraw/zinc/94/21/92/1193942192.db2.gz USOGNTKMXCNYTG-HNNXBMFYSA-N 0 3 384.502 0.801 20 0 GCADHN COCCCNc1c(=O)[nH]c(=O)n(Cc2ccccc2)c1NC(=O)[C@H](C)N ZINC000262408671 1193947622 /nfs/dbraw/zinc/94/76/22/1193947622.db2.gz CJAYTSCQIRZYHL-LBPRGKRZSA-N 0 3 375.429 0.731 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CN1C(=O)COc2ccccc21 ZINC000513438079 1193951224 /nfs/dbraw/zinc/95/12/24/1193951224.db2.gz GLUNFDZBBIYJPF-MRXNPFEDSA-N 0 3 388.468 0.471 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCNC(=O)c1ccsc1 ZINC000513439219 1193951752 /nfs/dbraw/zinc/95/17/52/1193951752.db2.gz MLFHGNCAYYKSKP-HNNXBMFYSA-N 0 3 380.514 0.927 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCNC(=O)c1ccsc1 ZINC000513439220 1193951923 /nfs/dbraw/zinc/95/19/23/1193951923.db2.gz MLFHGNCAYYKSKP-OAHLLOKOSA-N 0 3 380.514 0.927 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000513439519 1193951931 /nfs/dbraw/zinc/95/19/31/1193951931.db2.gz NWIUVYLZOSIUDB-AVGNSLFASA-N 0 3 392.422 0.502 20 0 GCADHN CN1CCN(c2ncc(CN[C@H]3CCCC[C@@H]3NS(C)(=O)=O)cn2)CC1 ZINC000430017739 1193959163 /nfs/dbraw/zinc/95/91/63/1193959163.db2.gz UDNSZRSAEZALMA-HOTGVXAUSA-N 0 3 382.534 0.178 20 0 GCADHN CN1CCN(c2ncc(CN[C@H]3CCCC[C@H]3NS(C)(=O)=O)cn2)CC1 ZINC000430017741 1193959383 /nfs/dbraw/zinc/95/93/83/1193959383.db2.gz UDNSZRSAEZALMA-JKSUJKDBSA-N 0 3 382.534 0.178 20 0 GCADHN CSCC[C@@H](NC(=O)COC1CNC1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000430022502 1193960127 /nfs/dbraw/zinc/96/01/27/1193960127.db2.gz OSMOMZXKZXOISD-GFCCVEGCSA-N 0 3 394.453 0.698 20 0 GCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433945653 1193961967 /nfs/dbraw/zinc/96/19/67/1193961967.db2.gz JGCBDGQQIHNPQS-MRXNPFEDSA-N 0 3 379.505 0.382 20 0 GCADHN COc1cccc([C@@H](C)N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)c1 ZINC000263109797 1193962108 /nfs/dbraw/zinc/96/21/08/1193962108.db2.gz DLKARQIXASQUJL-BEFAXECRSA-N 0 3 376.501 1.000 20 0 GCADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433950233 1193962437 /nfs/dbraw/zinc/96/24/37/1193962437.db2.gz WHGUJVUAOFMING-INIZCTEOSA-N 0 3 377.489 0.136 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000664218979 1193970319 /nfs/dbraw/zinc/97/03/19/1193970319.db2.gz GHNLYOSXCHOTOX-MSOLQXFVSA-N 0 3 379.549 0.914 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000419396394 1193970556 /nfs/dbraw/zinc/97/05/56/1193970556.db2.gz SGEMOFXPJGUJQF-ZFWWWQNUSA-N 0 3 383.395 0.886 20 0 GCADHN C[C@H](CNC(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)CN1CCN(C)CC1 ZINC000664221382 1193976608 /nfs/dbraw/zinc/97/66/08/1193976608.db2.gz PPJHBJWWDXUPKE-SQNIBIBYSA-N 0 3 382.549 0.879 20 0 GCADHN Cc1cccc(=O)n1C[C@](C)(O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000280144410 1193977508 /nfs/dbraw/zinc/97/75/08/1193977508.db2.gz BAGOZACVFDHLAG-FQEVSTJZSA-N 0 3 379.501 0.913 20 0 GCADHN Cc1c(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cccc1N1C(=O)CNC1=O ZINC000280265806 1193982317 /nfs/dbraw/zinc/98/23/17/1193982317.db2.gz QKYUQINSUZKSBV-ZDUSSCGKSA-N 0 3 387.440 0.400 20 0 GCADHN CN(C)C1(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CCC1 ZINC000982869998 1193983285 /nfs/dbraw/zinc/98/32/85/1193983285.db2.gz FONDSZPRVCLFLY-LUKYLMHMSA-N 0 3 379.501 0.487 20 0 GCADHN NS(=O)(=O)CCCN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000280292283 1193984136 /nfs/dbraw/zinc/98/41/36/1193984136.db2.gz URQYPMUZICDTBD-UHFFFAOYSA-N 0 3 377.466 0.983 20 0 GCADHN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1N1C(=O)CNC1=O ZINC000280348260 1193987314 /nfs/dbraw/zinc/98/73/14/1193987314.db2.gz WXKUMHXYJQNVAT-CYBMUJFWSA-N 0 3 387.440 0.400 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 ZINC000280347149 1193987358 /nfs/dbraw/zinc/98/73/58/1193987358.db2.gz MSTBWLURXMWEQP-UHFFFAOYSA-N 0 3 394.472 0.548 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000280334017 1193988205 /nfs/dbraw/zinc/98/82/05/1193988205.db2.gz LRGUCJXBWBBBSG-UHFFFAOYSA-N 0 3 396.419 0.805 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC000280363812 1193989100 /nfs/dbraw/zinc/98/91/00/1193989100.db2.gz OAWBWPMDHANHKZ-CABCVRRESA-N 0 3 388.468 0.753 20 0 GCADHN COC[C@@H](CO)NC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000280360101 1193990509 /nfs/dbraw/zinc/99/05/09/1193990509.db2.gz GDNKTUPHYIVOAC-QGZVFWFLSA-N 0 3 392.500 0.587 20 0 GCADHN CC(=O)N[C@@](C)(C(=O)NC[C@H]1CCCN1C)c1ccc(S(C)(=O)=O)cc1 ZINC000280432254 1193996667 /nfs/dbraw/zinc/99/66/67/1193996667.db2.gz CIHJKHMCZZWMNL-CRAIPNDOSA-N 0 3 381.498 0.652 20 0 GCADHN CC(=O)N[C@](C)(C(=O)NC[C@H]1CCCN1C)c1ccc(S(C)(=O)=O)cc1 ZINC000280432259 1193996711 /nfs/dbraw/zinc/99/67/11/1193996711.db2.gz CIHJKHMCZZWMNL-QAPCUYQASA-N 0 3 381.498 0.652 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)N(C)Cc1ccccc1 ZINC000280476945 1193998770 /nfs/dbraw/zinc/99/87/70/1193998770.db2.gz PHTBFJVNYWAQSS-RYGJVYDSSA-N 0 3 399.495 0.955 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@](C)(C(N)=O)C3)c2)CC1 ZINC000280573491 1194006895 /nfs/dbraw/zinc/00/68/95/1194006895.db2.gz XXBANLPDFUPPJR-FQEVSTJZSA-N 0 3 387.484 0.491 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1OC ZINC000280678697 1194013720 /nfs/dbraw/zinc/01/37/20/1194013720.db2.gz GLQJMJZYQPTNJR-UHFFFAOYSA-N 0 3 392.456 0.174 20 0 GCADHN CCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CNCCO2)cc1OC ZINC000419424692 1194025035 /nfs/dbraw/zinc/02/50/35/1194025035.db2.gz KNTGZDVKHLKVHU-DZGCQCFKSA-N 0 3 379.457 0.766 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCCNCC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000419426997 1194027454 /nfs/dbraw/zinc/02/74/54/1194027454.db2.gz NWTWTDJHNIRIOE-AWEZNQCLSA-N 0 3 388.468 0.343 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)N[C@H](C)CN2CCOCC2)cc1 ZINC000419427927 1194027555 /nfs/dbraw/zinc/02/75/55/1194027555.db2.gz HTHGQURWZSQRKZ-QAPCUYQASA-N 0 3 376.501 0.763 20 0 GCADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000419411311 1194029829 /nfs/dbraw/zinc/02/98/29/1194029829.db2.gz BMCSWEBHZGWTHD-KXBFYZLASA-N 0 3 384.480 0.793 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)N(C)c1ccccc1 ZINC000419411641 1194029978 /nfs/dbraw/zinc/02/99/78/1194029978.db2.gz QDTRBLAMPZLGJP-QAPCUYQASA-N 0 3 399.499 0.541 20 0 GCADHN NC[C@H](NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)c1ccc2ccccc2c1 ZINC000419416259 1194032079 /nfs/dbraw/zinc/03/20/79/1194032079.db2.gz OMLDLAVBEKLEDQ-ULQDDVLXSA-N 0 3 384.436 0.105 20 0 GCADHN COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)C2)c1 ZINC000419454193 1194032234 /nfs/dbraw/zinc/03/22/34/1194032234.db2.gz ZBHDFINPQABGJH-JKIFEVAISA-N 0 3 390.484 0.619 20 0 GCADHN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000419437114 1194034805 /nfs/dbraw/zinc/03/48/05/1194034805.db2.gz FCNPFMCCTMTZNQ-GOEBONIOSA-N 0 3 394.903 0.696 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000419445550 1194035728 /nfs/dbraw/zinc/03/57/28/1194035728.db2.gz UVHPFGWOSFSHLC-PBHICJAKSA-N 0 3 385.468 0.760 20 0 GCADHN COC(=O)c1ccc(CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)cc1OC ZINC000419473830 1194039435 /nfs/dbraw/zinc/03/94/35/1194039435.db2.gz KJJOKSMCSPLWFL-MRXNPFEDSA-N 0 3 385.420 0.914 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCCNCC1)c1ccccc1OCC(=O)N(C)C ZINC000419483874 1194041480 /nfs/dbraw/zinc/04/14/80/1194041480.db2.gz VOYKSXXZOHRHKQ-MRXNPFEDSA-N 0 3 390.484 0.543 20 0 GCADHN Cc1cccc(N2CCN(CCCNC(=O)C(=O)NCC(F)(F)CN)CC2)c1 ZINC000419499120 1194046355 /nfs/dbraw/zinc/04/63/55/1194046355.db2.gz ALTIWNKHGQENPE-UHFFFAOYSA-N 0 3 397.470 0.334 20 0 GCADHN Cc1nn(C)c(C)c1NC(=O)CNCCCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268808058 1194050974 /nfs/dbraw/zinc/05/09/74/1194050974.db2.gz NLPLAUKYRWKHST-LCEIHVTHSA-N 0 3 389.500 0.837 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCCN(CC(F)F)CC1 ZINC000501080112 1194053164 /nfs/dbraw/zinc/05/31/64/1194053164.db2.gz CIAZSCXQWRDBMR-UHFFFAOYSA-N 0 3 391.507 0.359 20 0 GCADHN C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419522058 1194054058 /nfs/dbraw/zinc/05/40/58/1194054058.db2.gz PBIGHFXBYHJDGB-DJIMGWMZSA-N 0 3 392.504 0.612 20 0 GCADHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419522060 1194054076 /nfs/dbraw/zinc/05/40/76/1194054076.db2.gz PBIGHFXBYHJDGB-OIISXLGYSA-N 0 3 392.504 0.612 20 0 GCADHN COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C2 ZINC000419538612 1194055822 /nfs/dbraw/zinc/05/58/22/1194055822.db2.gz AEEHAHHCQNPFDQ-UXIGCNINSA-N 0 3 377.441 0.344 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000419540898 1194055873 /nfs/dbraw/zinc/05/58/73/1194055873.db2.gz HPLMXAOELGJKBU-CJNGLKHVSA-N 0 3 390.484 0.276 20 0 GCADHN O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000419580226 1194060273 /nfs/dbraw/zinc/06/02/73/1194060273.db2.gz KVFDMTPTWVTNDH-QGZVFWFLSA-N 0 3 394.903 0.651 20 0 GCADHN COc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419566855 1194062555 /nfs/dbraw/zinc/06/25/55/1194062555.db2.gz HKMBPLKOEFOUKV-DVOMOZLQSA-N 0 3 379.457 0.808 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C(=O)N1c1ccccc1 ZINC000664233378 1194063680 /nfs/dbraw/zinc/06/36/80/1194063680.db2.gz MXQLMBCONDWVND-DOTOQJQBSA-N 0 3 389.500 0.842 20 0 GCADHN COc1ccc(C[C@H](C)NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000419603847 1194064863 /nfs/dbraw/zinc/06/48/63/1194064863.db2.gz MRYDAUBAAVPLIU-GUTXKFCHSA-N 0 3 393.484 0.980 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1nc(C2CC2)no1 ZINC000419591347 1194066597 /nfs/dbraw/zinc/06/65/97/1194066597.db2.gz UAXQQIJXLSCIAB-DRZSPHRISA-N 0 3 379.461 0.990 20 0 GCADHN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1)CC2 ZINC000419589165 1194066883 /nfs/dbraw/zinc/06/68/83/1194066883.db2.gz UXWNHACTZFEIQW-DLBZAZTESA-N 0 3 384.484 0.957 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)ccc1OC ZINC000419595840 1194067743 /nfs/dbraw/zinc/06/77/43/1194067743.db2.gz MKRWHVZIKSZNAY-BXUZGUMPSA-N 0 3 393.440 0.327 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000419600587 1194069267 /nfs/dbraw/zinc/06/92/67/1194069267.db2.gz VZRCGBYRFNHNNI-GXTWGEPZSA-N 0 3 377.441 0.346 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)n[nH]1 ZINC000419632347 1194073040 /nfs/dbraw/zinc/07/30/40/1194073040.db2.gz OIFPLGMUWQZEKC-TZMCWYRMSA-N 0 3 378.477 0.032 20 0 GCADHN COCCCOc1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419634825 1194074576 /nfs/dbraw/zinc/07/45/76/1194074576.db2.gz INHAFSHWXRXTSN-RHSMWYFYSA-N 0 3 393.484 0.947 20 0 GCADHN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419646929 1194076400 /nfs/dbraw/zinc/07/64/00/1194076400.db2.gz JMYAWJWMNXHHKK-RDJZCZTQSA-N 0 3 398.467 0.767 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCc1nnnn1CC1CC1)c1ccc2ccccc2c1 ZINC000419675436 1194080281 /nfs/dbraw/zinc/08/02/81/1194080281.db2.gz KNTFMEAIZOHZQE-QGZVFWFLSA-N 0 3 393.451 0.669 20 0 GCADHN CC(=O)Nc1cccc(OCCNC(=O)C(=O)NC[C@@H](N)c2ccccc2)c1 ZINC000419691984 1194086225 /nfs/dbraw/zinc/08/62/25/1194086225.db2.gz XNXPTSAIDSGWES-GOSISDBHSA-N 0 3 384.436 0.956 20 0 GCADHN COC(=O)c1ccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419719937 1194092465 /nfs/dbraw/zinc/09/24/65/1194092465.db2.gz GZQJTSYSTHYTAU-DOMZBBRYSA-N 0 3 377.441 0.361 20 0 GCADHN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCNCC1 ZINC000419741198 1194094316 /nfs/dbraw/zinc/09/43/16/1194094316.db2.gz IBLQGUDGZUIGEV-UHFFFAOYSA-N 0 3 393.919 0.400 20 0 GCADHN CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C(=O)N2CCC[C@@H]2CN)cc1 ZINC000419751575 1194097374 /nfs/dbraw/zinc/09/73/74/1194097374.db2.gz KNWMFZWLHLAEBQ-OAHLLOKOSA-N 0 3 395.525 0.824 20 0 GCADHN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419753009 1194097488 /nfs/dbraw/zinc/09/74/88/1194097488.db2.gz XSDOQSSLDPHNNF-ULQDDVLXSA-N 0 3 392.504 0.610 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000419764211 1194101439 /nfs/dbraw/zinc/10/14/39/1194101439.db2.gz VURHRHAISDDDRJ-XJKSGUPXSA-N 0 3 380.464 0.603 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCC1(N2CCOCC2)CC1)c1ccc2ccccc2c1 ZINC000419769938 1194102246 /nfs/dbraw/zinc/10/22/46/1194102246.db2.gz DYPSEJRWQYKNQS-IBGZPJMESA-N 0 3 396.491 0.937 20 0 GCADHN C[C@H](Cn1cccn1)NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000501276234 1194102961 /nfs/dbraw/zinc/10/29/61/1194102961.db2.gz ISJYNZOLNYKYDR-CHWSQXEVSA-N 0 3 377.470 0.486 20 0 GCADHN CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)CC2)c2ccccc2O1 ZINC000419794103 1194105177 /nfs/dbraw/zinc/10/51/77/1194105177.db2.gz DOXDQLDNUMVPBN-MRXNPFEDSA-N 0 3 388.468 0.517 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000419796592 1194105938 /nfs/dbraw/zinc/10/59/38/1194105938.db2.gz QKRSZGZCHUIJSB-TZMCWYRMSA-N 0 3 379.457 0.592 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCC2(N(C)C)CC2)cc1S(=O)(=O)N(C)C ZINC000419802939 1194106849 /nfs/dbraw/zinc/10/68/49/1194106849.db2.gz DKCFZCUAKLZCDV-UHFFFAOYSA-N 0 3 382.486 0.394 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(N(C)C)CC2)cc1 ZINC000419816837 1194109168 /nfs/dbraw/zinc/10/91/68/1194109168.db2.gz QYKVYYZQDIXETM-UHFFFAOYSA-N 0 3 396.513 0.864 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)N2CCNC[C@H]2C)C[C@H](C)O1 ZINC000419812031 1194112554 /nfs/dbraw/zinc/11/25/54/1194112554.db2.gz HTYFIXYQLDANGR-ZACQAIPSSA-N 0 3 388.512 0.732 20 0 GCADHN C[C@H]1CN(Cc2ccccc2CNC(=O)C(=O)N2CCNC[C@@H]2C)C[C@H](C)O1 ZINC000419812026 1194112756 /nfs/dbraw/zinc/11/27/56/1194112756.db2.gz HTYFIXYQLDANGR-ULQDDVLXSA-N 0 3 388.512 0.732 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(N(C)C)CC2)cc1 ZINC000419813333 1194113231 /nfs/dbraw/zinc/11/32/31/1194113231.db2.gz NPULXEAVHSLJAG-UHFFFAOYSA-N 0 3 396.513 0.866 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)c1ccccc1 ZINC000419914381 1194137886 /nfs/dbraw/zinc/13/78/86/1194137886.db2.gz BUXMXZNPKIXLPO-OLZOCXBDSA-N 0 3 386.374 0.330 20 0 GCADHN CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)NC[C@H](N)c2ccccc2)no1 ZINC000419924277 1194139802 /nfs/dbraw/zinc/13/98/02/1194139802.db2.gz HEOILKILZITUGU-GJZGRUSLSA-N 0 3 387.440 0.909 20 0 GCADHN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)NC[C@@H](N)c1ccccc1)CC2 ZINC000419924272 1194139865 /nfs/dbraw/zinc/13/98/65/1194139865.db2.gz HDZXDBHOKCCADB-IXDOHACOSA-N 0 3 375.469 0.581 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CCN1CCOC ZINC000419930661 1194140206 /nfs/dbraw/zinc/14/02/06/1194140206.db2.gz OKSGXJHUXHXEGL-QZTJIDSGSA-N 0 3 376.501 0.762 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)c1ccccc1 ZINC000419932663 1194144799 /nfs/dbraw/zinc/14/47/99/1194144799.db2.gz QCECXKFTXZKWDL-SFHVURJKSA-N 0 3 396.447 0.493 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)n1 ZINC000419935443 1194145304 /nfs/dbraw/zinc/14/53/04/1194145304.db2.gz RZHKIGGCFUYDKL-KRWDZBQOSA-N 0 3 382.468 0.558 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)cs1 ZINC000419940680 1194145752 /nfs/dbraw/zinc/14/57/52/1194145752.db2.gz ZYGFWGQSYFOYNU-QGZVFWFLSA-N 0 3 387.509 0.912 20 0 GCADHN O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000419977128 1194150864 /nfs/dbraw/zinc/15/08/64/1194150864.db2.gz MMOPBKCYMKTMSE-HNNXBMFYSA-N 0 3 388.468 0.183 20 0 GCADHN Cc1cnccc1OC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420023953 1194158406 /nfs/dbraw/zinc/15/84/06/1194158406.db2.gz AXVWYIPQJZRLJE-GOEBONIOSA-N 0 3 390.484 0.989 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000420024726 1194158784 /nfs/dbraw/zinc/15/87/84/1194158784.db2.gz BJZYATGISOOYDD-PBXWNFIWSA-N 0 3 397.422 0.828 20 0 GCADHN C[C@H](c1nccs1)N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420027571 1194159464 /nfs/dbraw/zinc/15/94/64/1194159464.db2.gz COGFZPCFOAJNFD-HZSPNIEDSA-N 0 3 395.529 0.578 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000420027148 1194159608 /nfs/dbraw/zinc/15/96/08/1194159608.db2.gz CEDIXQSDWUYCKQ-ZFWWWQNUSA-N 0 3 398.467 0.517 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000420027636 1194159750 /nfs/dbraw/zinc/15/97/50/1194159750.db2.gz DAOXRRODLODCRC-NRKLIOEPSA-N 0 3 396.532 0.316 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000420028300 1194159762 /nfs/dbraw/zinc/15/97/62/1194159762.db2.gz DDMCISIDDVFHAZ-XYJFISCASA-N 0 3 388.512 0.949 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000420028294 1194159775 /nfs/dbraw/zinc/15/97/75/1194159775.db2.gz DDMCISIDDVFHAZ-RYRKJORJSA-N 0 3 388.512 0.949 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000420031439 1194160168 /nfs/dbraw/zinc/16/01/68/1194160168.db2.gz HDITYKTXIVUBSS-MAZHCROVSA-N 0 3 379.432 0.955 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000420029535 1194160178 /nfs/dbraw/zinc/16/01/78/1194160178.db2.gz FLNKQINJVWRLTG-CJNGLKHVSA-N 0 3 376.457 0.270 20 0 GCADHN C[C@H](N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1)C(F)(F)F ZINC000420031918 1194160760 /nfs/dbraw/zinc/16/07/60/1194160760.db2.gz HMMIFKMDNTXSDV-SDDRHHMPSA-N 0 3 380.411 0.311 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000420055796 1194163360 /nfs/dbraw/zinc/16/33/60/1194163360.db2.gz IBBALRPVSZIXLK-HOCLYGCPSA-N 0 3 388.468 0.200 20 0 GCADHN CCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420055817 1194163374 /nfs/dbraw/zinc/16/33/74/1194163374.db2.gz ICXIVAHNARNCCK-HIFRSBDPSA-N 0 3 382.505 0.371 20 0 GCADHN CCCn1ccnc1CCCN(C)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420056679 1194163756 /nfs/dbraw/zinc/16/37/56/1194163756.db2.gz IUEOOQTUVABUKT-CABCVRRESA-N 0 3 379.505 0.913 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCC[C@H](OCCO)C1)c1ccc2ccccc2c1 ZINC000420058049 1194163836 /nfs/dbraw/zinc/16/38/36/1194163836.db2.gz NVZDEVDFGHYTGF-OALUTQOASA-N 0 3 385.464 0.956 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(Oc2ncccc2F)CC1 ZINC000420037162 1194164917 /nfs/dbraw/zinc/16/49/17/1194164917.db2.gz LUKLMDRQCGMGLJ-WFASDCNBSA-N 0 3 394.447 0.820 20 0 GCADHN CC(C)OCCOC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420038252 1194165378 /nfs/dbraw/zinc/16/53/78/1194165378.db2.gz MSULXJKDNCQPQM-HOCLYGCPSA-N 0 3 385.505 0.648 20 0 GCADHN COc1cccc([C@@H]2C[C@H](O)CN2C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000420039787 1194166079 /nfs/dbraw/zinc/16/60/79/1194166079.db2.gz ODSBTEAEMSSFDC-QCPWZWHMSA-N 0 3 391.468 0.559 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000420040213 1194166096 /nfs/dbraw/zinc/16/60/96/1194166096.db2.gz ONOADGKJDRHTKU-BXUZGUMPSA-N 0 3 391.472 0.882 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CCc2cccs2)CC1 ZINC000420041871 1194166812 /nfs/dbraw/zinc/16/68/12/1194166812.db2.gz QFJIYAMKWXGGDT-GOEBONIOSA-N 0 3 394.541 0.664 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)n1 ZINC000420042493 1194166853 /nfs/dbraw/zinc/16/68/53/1194166853.db2.gz QVACXUKUGFASRM-DGCLKSJQSA-N 0 3 396.517 0.114 20 0 GCADHN COC(=O)c1cccc2c1CCN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)C2 ZINC000420043073 1194167250 /nfs/dbraw/zinc/16/72/50/1194167250.db2.gz RGJGRGDGJJPISG-BLLLJJGKSA-N 0 3 389.452 0.587 20 0 GCADHN CCOC(=O)C1(COC)CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420043647 1194167294 /nfs/dbraw/zinc/16/72/94/1194167294.db2.gz SCUJPKUWHQCWIU-UONOGXRCSA-N 0 3 399.488 0.034 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000420044798 1194168182 /nfs/dbraw/zinc/16/81/82/1194168182.db2.gz UEUKTPDXDQTJIC-HIFRSBDPSA-N 0 3 377.489 0.430 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1)c1ccc2ccccc2c1 ZINC000420045201 1194168239 /nfs/dbraw/zinc/16/82/39/1194168239.db2.gz AHPYSJWSKOYFMH-SFHVURJKSA-N 0 3 380.448 0.693 20 0 GCADHN Cc1csc(N2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)n1 ZINC000420043891 1194168259 /nfs/dbraw/zinc/16/82/59/1194168259.db2.gz SIYQMGKYOWUHDO-OLZOCXBDSA-N 0 3 381.502 0.329 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000420047928 1194168902 /nfs/dbraw/zinc/16/89/02/1194168902.db2.gz WOFSFHKAVSLKPI-WFASDCNBSA-N 0 3 392.431 0.230 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000420048966 1194169766 /nfs/dbraw/zinc/16/97/66/1194169766.db2.gz XTXKBXBOWUNVGO-IRCOFANPSA-N 0 3 381.395 0.377 20 0 GCADHN 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/nfs/dbraw/zinc/59/34/98/1194593498.db2.gz SCXALYRDKHIQDX-HXUWFJFHSA-N 0 3 397.516 0.794 20 0 GCADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000422265189 1194595770 /nfs/dbraw/zinc/59/57/70/1194595770.db2.gz VENMGCXSQCDYID-ILXRZTDVSA-N 0 3 385.530 0.588 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C2(OC)CCOCC2)CC1 ZINC000422261735 1194601119 /nfs/dbraw/zinc/60/11/19/1194601119.db2.gz FNZAJYVZBILOEN-MRXNPFEDSA-N 0 3 384.521 0.766 20 0 GCADHN COc1cccc(N2C[C@H](NC(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2=O)c1 ZINC000422299724 1194607789 /nfs/dbraw/zinc/60/77/89/1194607789.db2.gz SPZPEUUELXHQAS-ZBFHGGJFSA-N 0 3 388.468 0.469 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000422298482 1194608023 /nfs/dbraw/zinc/60/80/23/1194608023.db2.gz KRULZMMCPKEADB-CQSZACIVSA-N 0 3 397.497 0.138 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)CC1 ZINC000422301533 1194608693 /nfs/dbraw/zinc/60/86/93/1194608693.db2.gz QEIZGTWTKVIRMC-ZDUSSCGKSA-N 0 3 390.475 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ZINC000422343381 1194620544 /nfs/dbraw/zinc/62/05/44/1194620544.db2.gz SPIBNFUZCODCQX-HOTGVXAUSA-N 0 3 383.514 0.949 20 0 GCADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000422343382 1194620643 /nfs/dbraw/zinc/62/06/43/1194620643.db2.gz SPIBNFUZCODCQX-HZPDHXFCSA-N 0 3 383.514 0.949 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2C[C@H](CO)OC(C)(C)C2)Cc2ccccc2C1 ZINC000422350299 1194622736 /nfs/dbraw/zinc/62/27/36/1194622736.db2.gz JRTSRJFIJVYQHK-QGZVFWFLSA-N 0 3 389.496 0.200 20 0 GCADHN COC[C@@]1(CO)CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000422359832 1194627472 /nfs/dbraw/zinc/62/74/72/1194627472.db2.gz YLTWNGUMJOXBOB-FQEVSTJZSA-N 0 3 389.496 0.059 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)N2CCOCC2)s1 ZINC000664312911 1194629277 /nfs/dbraw/zinc/62/92/77/1194629277.db2.gz FWRQHPUDMXDORE-PMPSAXMXSA-N 0 3 382.530 0.746 20 0 GCADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C1 ZINC000422383110 1194630903 /nfs/dbraw/zinc/63/09/03/1194630903.db2.gz VNFVLGQUNMLINP-HNNXBMFYSA-N 0 3 380.514 0.765 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000422388804 1194632424 /nfs/dbraw/zinc/63/24/24/1194632424.db2.gz MREUGANHIKMZEO-SJORKVTESA-N 0 3 387.484 0.241 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000422388733 1194632443 /nfs/dbraw/zinc/63/24/43/1194632443.db2.gz MOBWYIRLYUEFHS-QWHCGFSZSA-N 0 3 392.422 0.597 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000422389882 1194633026 /nfs/dbraw/zinc/63/30/26/1194633026.db2.gz ZRLHQTWFLBNRGJ-SJORKVTESA-N 0 3 378.517 0.836 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000422390685 1194633075 /nfs/dbraw/zinc/63/30/75/1194633075.db2.gz RPUYGVMHKFOBMM-GDBMZVCRSA-N 0 3 390.459 0.990 20 0 GCADHN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(C)C[C@@H]3CCCN3C)C2=O)cc1 ZINC000422393311 1194634720 /nfs/dbraw/zinc/63/47/20/1194634720.db2.gz CSHDUCWNOOFUBL-ROUUACIJSA-N 0 3 386.496 0.765 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccn(C)n1 ZINC000422491099 1194651181 /nfs/dbraw/zinc/65/11/81/1194651181.db2.gz NMDHOFIDYMHFHU-BZUAXINKSA-N 0 3 391.516 0.945 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000422522062 1194660432 /nfs/dbraw/zinc/66/04/32/1194660432.db2.gz VETYNIPRDWZKLV-DLBZAZTESA-N 0 3 390.459 0.988 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C2(OC)CCC2)CC1 ZINC000422524726 1194660821 /nfs/dbraw/zinc/66/08/21/1194660821.db2.gz GMNQILVEBDVIRE-HNNXBMFYSA-N 0 3 382.505 0.073 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)N(C)CCN(C)C2CC2)cn1 ZINC000422534076 1194664229 /nfs/dbraw/zinc/66/42/29/1194664229.db2.gz UJOSUUQXVUTNDW-WMLDXEAASA-N 0 3 377.489 0.649 20 0 GCADHN CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000422552303 1194668377 /nfs/dbraw/zinc/66/83/77/1194668377.db2.gz PYLFFEISGQKQHR-ZWKOTPCHSA-N 0 3 393.513 0.961 20 0 GCADHN CS(=O)(=O)[N-]c1cncc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000503443772 1194671023 /nfs/dbraw/zinc/67/10/23/1194671023.db2.gz QZDOSPQFBKHYIU-ZDUSSCGKSA-N 0 3 382.486 0.684 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[C@@H]1CC1(C)C ZINC000422583053 1194671592 /nfs/dbraw/zinc/67/15/92/1194671592.db2.gz WARNBMYEAGYXJH-HOTGVXAUSA-N 0 3 380.533 0.940 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000422581169 1194671721 /nfs/dbraw/zinc/67/17/21/1194671721.db2.gz ORQGQGDYJVTWMU-MRXNPFEDSA-N 0 3 399.532 0.240 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422627920 1194678084 /nfs/dbraw/zinc/67/80/84/1194678084.db2.gz RBTWOONZJQDYIJ-RISCZKNCSA-N 0 3 378.454 0.875 20 0 GCADHN COC1([C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CCOCC1 ZINC000422633209 1194679380 /nfs/dbraw/zinc/67/93/80/1194679380.db2.gz IPLMEAOJMGPEOO-HNNXBMFYSA-N 0 3 381.473 0.870 20 0 GCADHN CN1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NCCN2CCC2)CC1 ZINC000503584212 1194698759 /nfs/dbraw/zinc/69/87/59/1194698759.db2.gz ZYWXFAPUMIOWMW-UHFFFAOYSA-N 0 3 387.484 0.225 20 0 GCADHN CN(C)c1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503605988 1194699426 /nfs/dbraw/zinc/69/94/26/1194699426.db2.gz CWEDMOHOHIGRAK-UHFFFAOYSA-N 0 3 387.484 0.458 20 0 GCADHN CCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503624705 1194701221 /nfs/dbraw/zinc/70/12/21/1194701221.db2.gz DBIMWJBIEZLXCV-UHFFFAOYSA-N 0 3 388.468 0.790 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](N)C3CCC3)CC2)cc1 ZINC000422936480 1194709958 /nfs/dbraw/zinc/70/99/58/1194709958.db2.gz IGTHNOLAAURVFI-QGZVFWFLSA-N 0 3 379.482 0.850 20 0 GCADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H](N)C3CCC3)CC2)c1 ZINC000422942545 1194710331 /nfs/dbraw/zinc/71/03/31/1194710331.db2.gz WPHLVLDJWGQRHS-KRWDZBQOSA-N 0 3 397.497 0.664 20 0 GCADHN N[C@@H](C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CCC1 ZINC000422946846 1194712071 /nfs/dbraw/zinc/71/20/71/1194712071.db2.gz PLIXDMXDNXSLJO-QGZVFWFLSA-N 0 3 381.498 0.592 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCN(c4ccccc4)CC3)C2)nn1 ZINC000422982565 1194715551 /nfs/dbraw/zinc/71/55/51/1194715551.db2.gz WWVYEBYGWGAKQI-SFHVURJKSA-N 0 3 397.483 0.249 20 0 GCADHN [NH3+][C@@H](C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1)C1CCC1 ZINC000423059512 1194722489 /nfs/dbraw/zinc/72/24/89/1194722489.db2.gz MFKKTMBFCSLCKO-OAHLLOKOSA-N 0 3 377.470 0.523 20 0 GCADHN CCC[C@H](C)C(=O)NCCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000458848806 1194725413 /nfs/dbraw/zinc/72/54/13/1194725413.db2.gz SKBCWHMCTYHMCP-INIZCTEOSA-N 0 3 383.537 0.734 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414728991 1194745701 /nfs/dbraw/zinc/74/57/01/1194745701.db2.gz DRQCPEBCYJQECK-KRWDZBQOSA-N 0 3 394.541 0.499 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCCc4ccccc4C3)C2)nn1 ZINC000423275754 1194745890 /nfs/dbraw/zinc/74/58/90/1194745890.db2.gz NHVDMQMTFICOHE-SFHVURJKSA-N 0 3 382.468 0.875 20 0 GCADHN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423313082 1194746707 /nfs/dbraw/zinc/74/67/07/1194746707.db2.gz DZQISIWVIMTBNF-VNQPRFMTSA-N 0 3 381.498 0.221 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3Cc4ccccc4C4(CC4)C3)C2)nn1 ZINC000423381110 1194752424 /nfs/dbraw/zinc/75/24/24/1194752424.db2.gz HRKSTTZKOTYFHM-QGZVFWFLSA-N 0 3 394.479 0.974 20 0 GCADHN Cc1ccc(OCC(=O)N2CCN(C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414741711 1194754655 /nfs/dbraw/zinc/75/46/55/1194754655.db2.gz HPMKCLYGNUAMCD-SFHVURJKSA-N 0 3 388.512 0.715 20 0 GCADHN COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc1 ZINC000504111575 1194754841 /nfs/dbraw/zinc/75/48/41/1194754841.db2.gz QIMBMZJPBYFLHR-CYBMUJFWSA-N 0 3 385.486 0.502 20 0 GCADHN COCCOCCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504132822 1194756784 /nfs/dbraw/zinc/75/67/84/1194756784.db2.gz XOPNPZXLPVMHGV-UHFFFAOYSA-N 0 3 392.500 0.935 20 0 GCADHN CCC[C@]1(COC)CCCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423566377 1194767605 /nfs/dbraw/zinc/76/76/05/1194767605.db2.gz ZEIHURGDHZDVKQ-QFBILLFUSA-N 0 3 392.504 0.708 20 0 GCADHN O=C(CCCc1ccccc1)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423616717 1194773982 /nfs/dbraw/zinc/77/39/82/1194773982.db2.gz WYFVFMGSWBXWTF-UHFFFAOYSA-N 0 3 386.496 0.502 20 0 GCADHN COc1ccc(CN2CCN(C(=O)C(=O)N3CCCNCC3)CC2)cc1F ZINC000423617174 1194774311 /nfs/dbraw/zinc/77/43/11/1194774311.db2.gz XEXWUJCTBHEVRO-UHFFFAOYSA-N 0 3 378.448 0.300 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000423618867 1194774341 /nfs/dbraw/zinc/77/43/41/1194774341.db2.gz ZFGXHAAPRKEXEB-UHFFFAOYSA-N 0 3 394.903 0.685 20 0 GCADHN CC[C@H]1CN(C(=O)C(=O)N(CCN)Cc2ccccc2)C[C@@H](C)S1(=O)=O ZINC000423670801 1194782924 /nfs/dbraw/zinc/78/29/24/1194782924.db2.gz VNYIGCRSKUOAOS-ZBFHGGJFSA-N 0 3 381.498 0.398 20 0 GCADHN CCC[C@H]1CNCCN1C(=O)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000423749264 1194791748 /nfs/dbraw/zinc/79/17/48/1194791748.db2.gz SHIOVNMATITAEP-SFHVURJKSA-N 0 3 380.533 0.548 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H]1c1nncn1C ZINC000504446861 1194794656 /nfs/dbraw/zinc/79/46/56/1194794656.db2.gz UTAGNWZAOZYREH-GJZGRUSLSA-N 0 3 377.493 0.604 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](N)CC3CCCCC3)CC2)cn1C ZINC000423829354 1194794670 /nfs/dbraw/zinc/79/46/70/1194794670.db2.gz SPVRDRPPDVKCGC-MRXNPFEDSA-N 0 3 397.545 0.859 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000664369738 1194795510 /nfs/dbraw/zinc/79/55/10/1194795510.db2.gz VUIHODFUXASMJD-UHFFFAOYSA-N 0 3 376.461 0.700 20 0 GCADHN COc1cc(N2C[C@@H](C(=O)NC[C@H]3CNCCO3)CC2=O)cc(OC)c1OC ZINC000423994021 1194797695 /nfs/dbraw/zinc/79/76/95/1194797695.db2.gz RRLGEYZBTZAJSW-GXTWGEPZSA-N 0 3 393.440 0.170 20 0 GCADHN CSCC[C@@H](C(=O)NC[C@H]1CNCCO1)N1C(=O)c2ccccc2C1=O ZINC000423994768 1194797751 /nfs/dbraw/zinc/79/77/51/1194797751.db2.gz TVMMTIFLGZNICO-DOMZBBRYSA-N 0 3 377.466 0.509 20 0 GCADHN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CNCCO2)cc1 ZINC000423985937 1194798194 /nfs/dbraw/zinc/79/81/94/1194798194.db2.gz DZIBGSDACDLNCF-OAHLLOKOSA-N 0 3 383.514 0.757 20 0 GCADHN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000423985936 1194798375 /nfs/dbraw/zinc/79/83/75/1194798375.db2.gz DZIBGSDACDLNCF-HNNXBMFYSA-N 0 3 383.514 0.757 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H]2CNCCO2)C(C)C)cc1 ZINC000423997647 1194798751 /nfs/dbraw/zinc/79/87/51/1194798751.db2.gz YSWVVEGFXQZFGF-HOCLYGCPSA-N 0 3 385.486 0.103 20 0 GCADHN CCCNC(=O)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504642533 1194802084 /nfs/dbraw/zinc/80/20/84/1194802084.db2.gz PPQLHTJRKNFBIX-UHFFFAOYSA-N 0 3 389.500 0.798 20 0 GCADHN CCCC[C@@H](COC)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000504636350 1194802322 /nfs/dbraw/zinc/80/23/22/1194802322.db2.gz DKBJMZMBGAFSHE-HOTGVXAUSA-N 0 3 382.505 0.073 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCN(C)C3=O)c2)CC1 ZINC000504998157 1194819810 /nfs/dbraw/zinc/81/98/10/1194819810.db2.gz IINBHRJFEZXFHE-KRWDZBQOSA-N 0 3 387.484 0.502 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCCCCS(C)(=O)=O)cc1 ZINC000424538031 1194820304 /nfs/dbraw/zinc/82/03/04/1194820304.db2.gz DAKHDYMJNLZURS-INIZCTEOSA-N 0 3 383.514 0.867 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000414796154 1194822913 /nfs/dbraw/zinc/82/29/13/1194822913.db2.gz XIFDWSNURUJOHR-SFHVURJKSA-N 0 3 394.431 0.807 20 0 GCADHN C[C@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000505238455 1194831389 /nfs/dbraw/zinc/83/13/89/1194831389.db2.gz KPDUXVRYENWRSS-UONOGXRCSA-N 0 3 376.457 0.722 20 0 GCADHN C[C@H](O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000505238449 1194831449 /nfs/dbraw/zinc/83/14/49/1194831449.db2.gz KPDUXVRYENWRSS-KBPBESRZSA-N 0 3 376.457 0.722 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)NC2CCCCC2)CC1 ZINC000505362040 1194835855 /nfs/dbraw/zinc/83/58/55/1194835855.db2.gz KFLAUDVGQQGOKO-UHFFFAOYSA-N 0 3 381.521 0.631 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 ZINC000505408990 1194837284 /nfs/dbraw/zinc/83/72/84/1194837284.db2.gz MTJUGDLLEURLMH-UHFFFAOYSA-N 0 3 380.514 0.881 20 0 GCADHN O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112133499 1194838173 /nfs/dbraw/zinc/83/81/73/1194838173.db2.gz ODFRCBQPSNBBFG-VQJWOFKYSA-N 0 3 380.407 0.789 20 0 GCADHN CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)CCN1CCN(CC)CC1 ZINC000514040792 1194847095 /nfs/dbraw/zinc/84/70/95/1194847095.db2.gz FMUFVJGHJONHSO-HZPDHXFCSA-N 0 3 383.489 0.500 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC[C@H]2CCS(=O)(=O)C2)C1=O ZINC000434491326 1194847881 /nfs/dbraw/zinc/84/78/81/1194847881.db2.gz BFVZOGVMXVVEFI-RBSFLKMASA-N 0 3 388.530 0.978 20 0 GCADHN C[C@@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@]2(CCOC2)O1 ZINC000366585512 1194848222 /nfs/dbraw/zinc/84/82/22/1194848222.db2.gz GOXFGHOZWLGGEB-VQIMIIECSA-N 0 3 375.473 0.395 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(F)ccc2C(=O)OC)CC1 ZINC000514094805 1194850030 /nfs/dbraw/zinc/85/00/30/1194850030.db2.gz MJQCCMLACRYSON-UHFFFAOYSA-N 0 3 381.404 0.778 20 0 GCADHN COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1ccc3c(c1)CNCCO3)CC2 ZINC000414847836 1194852412 /nfs/dbraw/zinc/85/24/12/1194852412.db2.gz JXJZPQLJUAXDMK-OAHLLOKOSA-N 0 3 387.436 0.909 20 0 GCADHN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000425116734 1194857293 /nfs/dbraw/zinc/85/72/93/1194857293.db2.gz WBMPUXKNELZXNX-QZTJIDSGSA-N 0 3 386.496 0.486 20 0 GCADHN CN(CCN1CCOC(C)(C)C1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000434709927 1194861107 /nfs/dbraw/zinc/86/11/07/1194861107.db2.gz HVUXTSYPSVNIIT-KRWDZBQOSA-N 0 3 390.484 0.907 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN[C@@H](C)[C@H]2C)c1 ZINC000434710108 1194861252 /nfs/dbraw/zinc/86/12/52/1194861252.db2.gz ZHWMTOJWAPXDRJ-UONOGXRCSA-N 0 3 384.502 0.088 20 0 GCADHN COc1ccccc1COC[C@H](O)CN1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000434718246 1194863698 /nfs/dbraw/zinc/86/36/98/1194863698.db2.gz OZJASPGBSUXUMJ-QUCCMNQESA-N 0 3 392.496 0.924 20 0 GCADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000510000268 1194865619 /nfs/dbraw/zinc/86/56/19/1194865619.db2.gz ZUIWRWXWIOKKSX-OAHLLOKOSA-N 0 3 381.498 0.936 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000664448846 1194871082 /nfs/dbraw/zinc/87/10/82/1194871082.db2.gz UBZUWYXGAKYGDY-IRXDYDNUSA-N 0 3 383.537 0.291 20 0 GCADHN CCc1csc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000434829459 1194871725 /nfs/dbraw/zinc/87/17/25/1194871725.db2.gz XGDVPVZKOUBQNZ-CYBMUJFWSA-N 0 3 379.486 0.409 20 0 GCADHN COc1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc(OC)c1 ZINC000281869575 1194873409 /nfs/dbraw/zinc/87/34/09/1194873409.db2.gz HBMSNHYLBXPIKM-UHFFFAOYSA-N 0 3 378.473 0.785 20 0 GCADHN O=C(CCCNC(=O)c1cccnc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000435008744 1194883084 /nfs/dbraw/zinc/88/30/84/1194883084.db2.gz OMYZGDOTYALIAH-UHFFFAOYSA-N 0 3 387.484 0.358 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000514555987 1194883690 /nfs/dbraw/zinc/88/36/90/1194883690.db2.gz DSHDAIRVQSZWDD-UHFFFAOYSA-N 0 3 387.484 0.654 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3c[nH]cc3-c3ccc4c(c3)OCCO4)CCN2C1=O ZINC000514615183 1194888078 /nfs/dbraw/zinc/88/80/78/1194888078.db2.gz RSFJKHLCWAYBCI-BBRMVZONSA-N 0 3 382.420 0.837 20 0 GCADHN C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000435214196 1194898538 /nfs/dbraw/zinc/89/85/38/1194898538.db2.gz RBZHHFSPWXJAIX-YJYMSZOUSA-N 0 3 392.456 0.149 20 0 GCADHN C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000435214193 1194899008 /nfs/dbraw/zinc/89/90/08/1194899008.db2.gz RBZHHFSPWXJAIX-BFUOFWGJSA-N 0 3 392.456 0.149 20 0 GCADHN C[C@]1(NC(=O)CN2CCN(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 ZINC000514736513 1194902362 /nfs/dbraw/zinc/90/23/62/1194902362.db2.gz MAJCHPIYZZYKST-IBGZPJMESA-N 0 3 394.541 0.344 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)CC1=O ZINC000425306417 1194903833 /nfs/dbraw/zinc/90/38/33/1194903833.db2.gz AISQPCDMVGZKHA-ARFHVFGLSA-N 0 3 381.517 0.923 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2noc3c2CCCCC3)CC1=O ZINC000425309060 1194905359 /nfs/dbraw/zinc/90/53/59/1194905359.db2.gz CJRQMPHMQIDGCL-AWEZNQCLSA-N 0 3 378.473 0.852 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)CC1=O ZINC000425312346 1194906085 /nfs/dbraw/zinc/90/60/85/1194906085.db2.gz GTHLEIZTXQKCKD-CJNGLKHVSA-N 0 3 379.505 0.436 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2c(C)nn(C(C)C)c2C)CC1=O ZINC000425314356 1194907329 /nfs/dbraw/zinc/90/73/29/1194907329.db2.gz JFHMDOHIXNWBCW-QGZVFWFLSA-N 0 3 393.532 0.919 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCc3ccccc3O2)CC1=O ZINC000425314920 1194908205 /nfs/dbraw/zinc/90/82/05/1194908205.db2.gz JSSNMFHRRCJXCU-WMZOPIPTSA-N 0 3 375.469 0.676 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnc3cc(C)nn3c2C)CC1=O ZINC000425317618 1194908776 /nfs/dbraw/zinc/90/87/76/1194908776.db2.gz NGQQPCPPDBUHIQ-OAHLLOKOSA-N 0 3 388.472 0.255 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnc3cc(C)nn3c2C)CC1=O ZINC000425317615 1194908799 /nfs/dbraw/zinc/90/87/99/1194908799.db2.gz NGQQPCPPDBUHIQ-HNNXBMFYSA-N 0 3 388.472 0.255 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc3oc(=O)[nH]c3c2)CC1=O ZINC000425316287 1194908959 /nfs/dbraw/zinc/90/89/59/1194908959.db2.gz LLTUPIGKKHHVIB-ZDUSSCGKSA-N 0 3 376.413 0.442 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2[nH]nc3c2cccc3OC)CC1=O ZINC000425315617 1194911374 /nfs/dbraw/zinc/91/13/74/1194911374.db2.gz KJMXCBKLTHHNQJ-CYBMUJFWSA-N 0 3 389.456 0.480 20 0 GCADHN Cn1cc(-c2cccc(NC(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)c2)nn1 ZINC000514799329 1194911707 /nfs/dbraw/zinc/91/17/07/1194911707.db2.gz QZVQZTYLZCSVOH-UHFFFAOYSA-N 0 3 399.499 0.563 20 0 GCADHN Cc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OCC(=O)N(C)C)c1 ZINC000514799980 1194911962 /nfs/dbraw/zinc/91/19/62/1194911962.db2.gz ZJGAZRDXGPYNJL-ZIAGYGMSSA-N 0 3 389.456 0.238 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C(=O)OC)cc2F)CC1=O ZINC000425326121 1194916020 /nfs/dbraw/zinc/91/60/20/1194916020.db2.gz YAWNJFQROOQSSH-CQSZACIVSA-N 0 3 395.431 0.521 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)CC1=O ZINC000425327212 1194916574 /nfs/dbraw/zinc/91/65/74/1194916574.db2.gz ZFZBVQAVIALPQM-QZTJIDSGSA-N 0 3 388.512 0.808 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C2(Oc3ccccc3)CC2)CC1=O ZINC000425327226 1194916737 /nfs/dbraw/zinc/91/67/37/1194916737.db2.gz ZIOKIDYUBXWYIZ-MRXNPFEDSA-N 0 3 375.469 0.893 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C(C)=O)cc2F)CC1=O ZINC000425327235 1194916766 /nfs/dbraw/zinc/91/67/66/1194916766.db2.gz ZJWILJLJLCUIBK-OAHLLOKOSA-N 0 3 379.432 0.937 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(OC)c(OC)c2C)CC1=O ZINC000425327527 1194917214 /nfs/dbraw/zinc/91/72/14/1194917214.db2.gz ZUMDPUZAAXWWAC-HNNXBMFYSA-N 0 3 393.484 0.921 20 0 GCADHN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000514873235 1194923795 /nfs/dbraw/zinc/92/37/95/1194923795.db2.gz MAUJXCSLKXLUMD-KBMXLJTQSA-N 0 3 390.509 0.826 20 0 GCADHN O=C(NC[C@H]1CCOC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000283564955 1194925321 /nfs/dbraw/zinc/92/53/21/1194925321.db2.gz UADPRLOPBREJBG-MSOLQXFVSA-N 0 3 375.469 0.546 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(CCc4ccccc4)CC3)[C@@H]2C1 ZINC000425374689 1194926951 /nfs/dbraw/zinc/92/69/51/1194926951.db2.gz QMIJHSLMAPARTQ-VQTJNVASSA-N 0 3 384.524 0.926 20 0 GCADHN Cc1csc(N2CCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)n1 ZINC000425378128 1194929603 /nfs/dbraw/zinc/92/96/03/1194929603.db2.gz BJRIUDJIGIODBT-LSDHHAIUSA-N 0 3 377.514 0.653 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCC[C@@H]2CCCCO2)CC1 ZINC000514965028 1194931779 /nfs/dbraw/zinc/93/17/79/1194931779.db2.gz FXSIXHUFWAWFJC-KRWDZBQOSA-N 0 3 394.516 0.219 20 0 GCADHN C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N(C)CCN2CCCCC2)C[C@H](C)O1 ZINC000653360231 1194932239 /nfs/dbraw/zinc/93/22/39/1194932239.db2.gz IQUZKHPDWPREEE-IRXDYDNUSA-N 0 3 382.549 0.935 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCNC(=O)C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000425384144 1194935073 /nfs/dbraw/zinc/93/50/73/1194935073.db2.gz JCWGHMPTSREJKH-OKZBNKHCSA-N 0 3 384.480 0.629 20 0 GCADHN COc1cc(CN2CC[C@H](CO)[C@H](O)C2)cc(CN2CC[C@H](CO)[C@H](O)C2)c1 ZINC000514988574 1194937410 /nfs/dbraw/zinc/93/74/10/1194937410.db2.gz BFUITVAIQWISEN-VURPSTOHSA-N 0 3 394.512 0.045 20 0 GCADHN CN(CC(N)=O)C(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435500651 1194939219 /nfs/dbraw/zinc/93/92/19/1194939219.db2.gz LRNHXAYQLZVKIK-OAHLLOKOSA-N 0 3 384.440 0.212 20 0 GCADHN CNC(=O)CNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435526957 1194940592 /nfs/dbraw/zinc/94/05/92/1194940592.db2.gz JYMQNJAHYOCQTF-HNNXBMFYSA-N 0 3 384.440 0.131 20 0 GCADHN CC(=O)NCCNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435534037 1194941113 /nfs/dbraw/zinc/94/11/13/1194941113.db2.gz YTBBYXDXQCVKRV-KRWDZBQOSA-N 0 3 398.467 0.521 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCCN(CC(F)(F)F)CC3)[C@@H]2C1 ZINC000425390492 1194941143 /nfs/dbraw/zinc/94/11/43/1194941143.db2.gz QSWDNUCMOJAVIW-UONOGXRCSA-N 0 3 376.423 0.636 20 0 GCADHN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000515060534 1194943214 /nfs/dbraw/zinc/94/32/14/1194943214.db2.gz YDWPRGBJODFJCC-NVXWUHKLSA-N 0 3 391.520 0.978 20 0 GCADHN CN(C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21)[C@@H]1CCN(c2ccccc2)C1=O ZINC000425397020 1194948461 /nfs/dbraw/zinc/94/84/61/1194948461.db2.gz ZVGLXFIQMDDHQE-CGTJXYLNSA-N 0 3 384.480 0.803 20 0 GCADHN NC(=O)C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425399187 1194952463 /nfs/dbraw/zinc/95/24/63/1194952463.db2.gz IZUHWTAWVWXSPE-GBESFXJTSA-N 0 3 398.507 0.833 20 0 GCADHN COCCCN(CCO)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425405521 1194960454 /nfs/dbraw/zinc/96/04/54/1194960454.db2.gz RAIIMGAUWHUDOY-RBUKOAKNSA-N 0 3 389.496 0.577 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)N1CCCC[C@H]1C ZINC000515280029 1194964478 /nfs/dbraw/zinc/96/44/78/1194964478.db2.gz OKURIHUFCXLURN-KGLIPLIRSA-N 0 3 376.457 0.868 20 0 GCADHN C[C@]1(NC(=O)C2CCN(S(N)(=O)=O)CC2)CCN(Cc2ccccc2)C1 ZINC000515306835 1194965326 /nfs/dbraw/zinc/96/53/26/1194965326.db2.gz BULXAQLHDHBDKI-SFHVURJKSA-N 0 3 380.514 0.683 20 0 GCADHN COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000435837649 1194967472 /nfs/dbraw/zinc/96/74/72/1194967472.db2.gz VWEXQGKSJQDRCP-CQSZACIVSA-N 0 3 378.429 0.381 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000515371423 1194969807 /nfs/dbraw/zinc/96/98/07/1194969807.db2.gz SCUXMKOHMNEFMX-HDICACEKSA-N 0 3 399.495 0.238 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000515373363 1194969937 /nfs/dbraw/zinc/96/99/37/1194969937.db2.gz QPKBZPGNDLYXGY-OXJNMPFZSA-N 0 3 395.500 0.501 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1)N1CCC(C)CC1 ZINC000515390811 1194971130 /nfs/dbraw/zinc/97/11/30/1194971130.db2.gz SNGDVYYRPAOEML-KBPBESRZSA-N 0 3 378.439 0.976 20 0 GCADHN CN(C)C[C@H]1CN(Cc2ccccc2S(=O)(=O)N2CCOCC2)CCO1 ZINC000435888177 1194971614 /nfs/dbraw/zinc/97/16/14/1194971614.db2.gz GWKSQZQVVFVKJV-KRWDZBQOSA-N 0 3 383.514 0.470 20 0 GCADHN O=C(NCC(=O)N1CCNCC1)Nc1ccccc1CN1CCSCC1 ZINC000515404987 1194972880 /nfs/dbraw/zinc/97/28/80/1194972880.db2.gz PTTCAVSLULLWLM-UHFFFAOYSA-N 0 3 377.514 0.789 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)[C@H](O)c3ccc(Cl)cc3)C2)OCC1=O ZINC001270031638 1194975015 /nfs/dbraw/zinc/97/50/15/1194975015.db2.gz GPJVEWUDCBRCHN-MRXNPFEDSA-N 0 3 381.860 0.375 20 0 GCADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H]1CCCO1 ZINC000515447226 1194975585 /nfs/dbraw/zinc/97/55/85/1194975585.db2.gz GICJZWYFCCYYTI-HOTGVXAUSA-N 0 3 376.505 0.762 20 0 GCADHN CN1CCN(CCC(=O)N2CC3(C2)SCC[C@H]3C(=O)NCC(F)F)CC1 ZINC001270067607 1194992847 /nfs/dbraw/zinc/99/28/47/1194992847.db2.gz PAAGJKNJEHPPHW-ZDUSSCGKSA-N 0 3 390.500 0.339 20 0 GCADHN CN1CCN(CCC(=O)N2CC3(C2)SCC[C@@H]3C(=O)NC(C)(C)C)CC1 ZINC001270067908 1194993194 /nfs/dbraw/zinc/99/31/94/1194993194.db2.gz RHGRVEIFMCCLKO-OAHLLOKOSA-N 0 3 382.574 0.873 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCCN([C@@H](C)CO)CC2)c1 ZINC000505785809 1194994969 /nfs/dbraw/zinc/99/49/69/1194994969.db2.gz WYGIEYAWLDGELC-AWEZNQCLSA-N 0 3 391.472 0.083 20 0 GCADHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCN(c2nccn2C)CC1 ZINC000436435313 1195005316 /nfs/dbraw/zinc/00/53/16/1195005316.db2.gz GUFJJCDPKSKSHO-CYBMUJFWSA-N 0 3 381.440 0.764 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000286520904 1195005520 /nfs/dbraw/zinc/00/55/20/1195005520.db2.gz BRSVUQVAMVYPDZ-MQVJKMGUSA-N 0 3 388.468 0.834 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc3c2ccn(C)c3=O)CC1 ZINC000505825650 1195007166 /nfs/dbraw/zinc/00/71/66/1195007166.db2.gz PWKOAJAYTMMKRU-OAHLLOKOSA-N 0 3 399.495 0.619 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000505825259 1195008750 /nfs/dbraw/zinc/00/87/50/1195008750.db2.gz LKAMVEIDWXZSQZ-GJZGRUSLSA-N 0 3 381.498 0.838 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCS(=O)(=O)c3ccccc3C2)n1 ZINC000286690376 1195010644 /nfs/dbraw/zinc/01/06/44/1195010644.db2.gz CRCCTSMDSDSXLE-UHFFFAOYSA-N 0 3 392.485 0.890 20 0 GCADHN CN1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000515953659 1195011526 /nfs/dbraw/zinc/01/15/26/1195011526.db2.gz DNKZPTCUEXYZHV-UHFFFAOYSA-N 0 3 387.484 0.096 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000515947495 1195011883 /nfs/dbraw/zinc/01/18/83/1195011883.db2.gz JSMRVKYNZBAMMT-CYBMUJFWSA-N 0 3 383.470 0.341 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000505841817 1195012430 /nfs/dbraw/zinc/01/24/30/1195012430.db2.gz YOPLNQDSLPJHEP-JMSVASOKSA-N 0 3 384.502 0.901 20 0 GCADHN O=C(CNC[C@@H]1CCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCC1CCC1 ZINC001270098755 1195014074 /nfs/dbraw/zinc/01/40/74/1195014074.db2.gz VZVDSTQKMYKIQO-LSTDLKDCSA-N 0 3 379.501 0.535 20 0 GCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N(CCO)C3CC3)c2)CC1 ZINC000516026107 1195015538 /nfs/dbraw/zinc/01/55/38/1195015538.db2.gz MUAJIIJETSRIMS-UHFFFAOYSA-N 0 3 388.468 0.306 20 0 GCADHN O=C([C@@H]1CNCc2ccccc21)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000516058540 1195018787 /nfs/dbraw/zinc/01/87/87/1195018787.db2.gz GBOGQDXXOKEYIO-QGZVFWFLSA-N 0 3 390.465 0.536 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000664571065 1195019117 /nfs/dbraw/zinc/01/91/17/1195019117.db2.gz DQPWCOYRUYTBHA-HNNXBMFYSA-N 0 3 381.521 0.581 20 0 GCADHN CC(C)(C)c1nc2cc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)ccc2o1 ZINC000516091016 1195021628 /nfs/dbraw/zinc/02/16/28/1195021628.db2.gz ALONGWHDWUMLBC-QWHCGFSZSA-N 0 3 399.451 0.834 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)NC[C@@H]2C)c1 ZINC000505857874 1195023199 /nfs/dbraw/zinc/02/31/99/1195023199.db2.gz WMKSRWPNBUJJBH-KGLIPLIRSA-N 0 3 384.502 0.088 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)NC[C@H]2C)C1 ZINC000505858267 1195023441 /nfs/dbraw/zinc/02/34/41/1195023441.db2.gz ZFSCBOOVRZKIME-JMSVASOKSA-N 0 3 383.518 0.636 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000516207749 1195033452 /nfs/dbraw/zinc/03/34/52/1195033452.db2.gz TVVSTYBSCXXFCQ-UHFFFAOYSA-N 0 3 378.440 0.990 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(C(F)(F)F)nn2C)CC1 ZINC000664584657 1195040040 /nfs/dbraw/zinc/04/00/40/1195040040.db2.gz GKJRNBZBWWLHNM-UHFFFAOYSA-N 0 3 376.383 0.131 20 0 GCADHN COc1cc(CN2CCC(C(N)=O)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000505890556 1195042136 /nfs/dbraw/zinc/04/21/36/1195042136.db2.gz CGKRONHDGPZKPB-UHFFFAOYSA-N 0 3 391.468 0.630 20 0 GCADHN O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436858086 1195044213 /nfs/dbraw/zinc/04/42/13/1195044213.db2.gz SLZHIJNODMBOOD-UHFFFAOYSA-N 0 3 384.440 0.506 20 0 GCADHN Cc1c([C@@H]2CN(C(=O)NC[C@H]3CCN3C(C)(C)C)C[C@H]2C(N)=O)cnn1C ZINC000623107770 1195046770 /nfs/dbraw/zinc/04/67/70/1195046770.db2.gz ADABDZYPYAXGRA-VNQPRFMTSA-N 0 3 376.505 0.812 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)C(=O)NCC(C)(C)N3CCCCC3)C[C@H]2CO)cn1 ZINC000549985794 1195046935 /nfs/dbraw/zinc/04/69/35/1195046935.db2.gz OMLMHUVMGAZKJM-IRXDYDNUSA-N 0 3 391.516 0.335 20 0 GCADHN C[C@@H]1c2nncn2CCN1C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000288624665 1195066443 /nfs/dbraw/zinc/06/64/43/1195066443.db2.gz RXVHMKIJLRNRJV-CQSZACIVSA-N 0 3 382.468 0.397 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000516574424 1195069719 /nfs/dbraw/zinc/06/97/19/1195069719.db2.gz QHMGQCLQZVWWLE-HYVNUMGLSA-N 0 3 380.514 0.840 20 0 GCADHN C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)[C@H](c1ccccc1)N(C)C ZINC000516574284 1195069801 /nfs/dbraw/zinc/06/98/01/1195069801.db2.gz KBSBNPBQSJDTIL-UKRRQHHQSA-N 0 3 385.472 0.712 20 0 GCADHN CCOC(=O)c1cc(F)c(F)cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516665266 1195083194 /nfs/dbraw/zinc/08/31/94/1195083194.db2.gz XEMPYGFFJWULGP-NOZJJQNGSA-N 0 3 382.367 0.917 20 0 GCADHN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000289245053 1195089443 /nfs/dbraw/zinc/08/94/43/1195089443.db2.gz VICWJRLQQNIIQH-MRXNPFEDSA-N 0 3 390.532 0.832 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCNC(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000516787569 1195095831 /nfs/dbraw/zinc/09/58/31/1195095831.db2.gz ZBEODTIWPIJDHG-KBPBESRZSA-N 0 3 379.848 0.023 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCNC(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000516787571 1195096127 /nfs/dbraw/zinc/09/61/27/1195096127.db2.gz ZBEODTIWPIJDHG-UONOGXRCSA-N 0 3 379.848 0.023 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000516928923 1195111850 /nfs/dbraw/zinc/11/18/50/1195111850.db2.gz JZODNBWQMSCLTJ-CYBMUJFWSA-N 0 3 394.497 0.690 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000516924048 1195113222 /nfs/dbraw/zinc/11/32/22/1195113222.db2.gz DJRKKWSZNGGGAJ-QFBILLFUSA-N 0 3 388.512 0.559 20 0 GCADHN CCOC(=O)c1sc([C@H](C)NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc1C ZINC000516938916 1195115106 /nfs/dbraw/zinc/11/51/06/1195115106.db2.gz FKHBKSNDNVNKPP-QJPTWQEYSA-N 0 3 395.485 0.643 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)ccc1F ZINC000425814876 1195116152 /nfs/dbraw/zinc/11/61/52/1195116152.db2.gz CHDZPOUYVUBNAL-BLLLJJGKSA-N 0 3 387.419 0.601 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCCc2nnc(-c3ccccc3)o2)n1 ZINC000516962057 1195116682 /nfs/dbraw/zinc/11/66/82/1195116682.db2.gz KDIXCSWQJVOCKV-UHFFFAOYSA-N 0 3 384.444 0.066 20 0 GCADHN CCOC(=O)c1sc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1C ZINC000516980891 1195119440 /nfs/dbraw/zinc/11/94/40/1195119440.db2.gz DGJNQKWTINIHDA-NEPJUHHUSA-N 0 3 380.470 0.416 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cc([C@H]4CCCOC4)nn3C)[C@@H]2C1 ZINC000425822752 1195121362 /nfs/dbraw/zinc/12/13/62/1195121362.db2.gz UTNCKIDTPCFHPF-OFQRWUPVSA-N 0 3 375.473 0.805 20 0 GCADHN O=C(CNC[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCc1cccnc1 ZINC001270239579 1195128066 /nfs/dbraw/zinc/12/80/66/1195128066.db2.gz LSQKQOMMFLGLHA-SGTQZHETSA-N 0 3 384.480 0.702 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCC(=O)N(C)C2=O)c1 ZINC000425842941 1195135547 /nfs/dbraw/zinc/13/55/47/1195135547.db2.gz IRVATUQKOQLLRO-INIZCTEOSA-N 0 3 376.457 0.916 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000517136656 1195140802 /nfs/dbraw/zinc/14/08/02/1195140802.db2.gz PSPHYECHCFMICX-IAGOWNOFSA-N 0 3 383.537 0.291 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000549994858 1195142869 /nfs/dbraw/zinc/14/28/69/1195142869.db2.gz RLIMYSCFVUKNCQ-JKSUJKDBSA-N 0 3 396.557 0.940 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425879867 1195145785 /nfs/dbraw/zinc/14/57/85/1195145785.db2.gz BIKRXLQNQVVJGF-INDMIFKZSA-N 0 3 398.507 0.750 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1nc2ccccc2[nH]1 ZINC000517177331 1195147843 /nfs/dbraw/zinc/14/78/43/1195147843.db2.gz NWSCXPBOJFSIIQ-WWGRRREGSA-N 0 3 398.467 0.147 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cnn(-c2ccccn2)c1N ZINC000517184336 1195151230 /nfs/dbraw/zinc/15/12/30/1195151230.db2.gz GWGWVJAZPQVLOP-HNNXBMFYSA-N 0 3 385.472 0.522 20 0 GCADHN CC(C)N1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1=O ZINC000425894658 1195153710 /nfs/dbraw/zinc/15/37/10/1195153710.db2.gz ZDIJXNCGDVYLBL-GBESFXJTSA-N 0 3 398.507 0.845 20 0 GCADHN CN1CC[C@H](CNC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1=O ZINC000425900188 1195157378 /nfs/dbraw/zinc/15/73/78/1195157378.db2.gz DPXAMCCGPWIQID-GBESFXJTSA-N 0 3 398.507 0.704 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1 ZINC000425904965 1195161409 /nfs/dbraw/zinc/16/14/09/1195161409.db2.gz NHSNTHKNLAAPCV-CQSZACIVSA-N 0 3 380.514 0.623 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000425906155 1195162285 /nfs/dbraw/zinc/16/22/85/1195162285.db2.gz TXJKQXAHOZFDGW-INIZCTEOSA-N 0 3 392.475 0.701 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H]2CCN(C)C(=O)C2)c1 ZINC000425905624 1195163081 /nfs/dbraw/zinc/16/30/81/1195163081.db2.gz QTICCLAMVPQTBP-KRWDZBQOSA-N 0 3 388.512 0.870 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000425911023 1195165474 /nfs/dbraw/zinc/16/54/74/1195165474.db2.gz ZUGQJGSNEHONOG-QGZVFWFLSA-N 0 3 380.533 0.689 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1ccccc1OCCO)N1CCC[C@H](C)C1 ZINC000506154950 1195170254 /nfs/dbraw/zinc/17/02/54/1195170254.db2.gz DEMSHMYXOQJTSU-HOTGVXAUSA-N 0 3 377.485 0.911 20 0 GCADHN CC(C)Oc1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1C(N)=O ZINC000517395659 1195178409 /nfs/dbraw/zinc/17/84/09/1195178409.db2.gz MABKIRKIOIVECO-OCCSQVGLSA-N 0 3 375.429 0.348 20 0 GCADHN CCOC(=O)Cn1nc(C)c(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1C ZINC000438119581 1195186369 /nfs/dbraw/zinc/18/63/69/1195186369.db2.gz KASFRFZDLLSGMG-LJQANCHMSA-N 0 3 391.472 0.873 20 0 GCADHN CCOC(=O)Cn1nc(C)c(CN(C)C2CCN(S(C)(=O)=O)CC2)c1C ZINC000438112079 1195187472 /nfs/dbraw/zinc/18/74/72/1195187472.db2.gz DGWLDYJAFBWFAF-UHFFFAOYSA-N 0 3 386.518 0.919 20 0 GCADHN CS(=O)(=O)N1CCC(CNC(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000517538378 1195188939 /nfs/dbraw/zinc/18/89/39/1195188939.db2.gz IRPMVDMGEXZUID-QGZVFWFLSA-N 0 3 380.514 0.844 20 0 GCADHN CC(=O)N1CSC[C@@H]1C(=O)N1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001270312071 1195191157 /nfs/dbraw/zinc/19/11/57/1195191157.db2.gz JUKYVHSDEDYORJ-QAPCUYQASA-N 0 3 382.530 0.453 20 0 GCADHN COC(=O)[C@H](O)C1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000438215137 1195195868 /nfs/dbraw/zinc/19/58/68/1195195868.db2.gz LODXNIBADCPYIZ-HXUWFJFHSA-N 0 3 389.496 0.971 20 0 GCADHN COc1cc(CN2CCN(CC(C)(C)O)C[C@@H]2C)cc(OC)c1OCC(N)=O ZINC000438286220 1195204076 /nfs/dbraw/zinc/20/40/76/1195204076.db2.gz UVKLLQHIDUZJOL-AWEZNQCLSA-N 0 3 395.500 0.845 20 0 GCADHN COC(=O)CCc1nnc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)s1 ZINC000438330872 1195205996 /nfs/dbraw/zinc/20/59/96/1195205996.db2.gz MWXCHPXSLGTLLX-LBPRGKRZSA-N 0 3 384.506 0.649 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3CCC[C@H]32)CC1 ZINC000517706064 1195209036 /nfs/dbraw/zinc/20/90/36/1195209036.db2.gz WWURYRLKVDTECH-BRWVUGGUSA-N 0 3 376.501 0.543 20 0 GCADHN O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000517731213 1195212536 /nfs/dbraw/zinc/21/25/36/1195212536.db2.gz GYANHZXAIMRXBQ-HNNXBMFYSA-N 0 3 398.467 0.943 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3C[C@H]3c3cccc4ccccc43)CCN2C1=O ZINC000517759254 1195214663 /nfs/dbraw/zinc/21/46/63/1195214663.db2.gz RXRRNFGFDXQUQW-WQANXHIZSA-N 0 3 392.459 0.582 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCCN2C(=O)Cc2csc(NC=O)n2)C1=O ZINC001270349426 1195219602 /nfs/dbraw/zinc/21/96/02/1195219602.db2.gz HZJVXMIPLMPQRM-KRWDZBQOSA-N 0 3 379.486 0.409 20 0 GCADHN COCCN(CCN(C)C)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000729431184 1195220194 /nfs/dbraw/zinc/22/01/94/1195220194.db2.gz JBYCVGAJBMGCNG-MRXNPFEDSA-N 0 3 379.436 0.282 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000729431003 1195222331 /nfs/dbraw/zinc/22/23/31/1195222331.db2.gz DPAXDPFAGFGRSC-SJLPKXTDSA-N 0 3 387.484 0.676 20 0 GCADHN C[C@H]1NC(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)=NN(c2ccccc2)C1=O ZINC000729430921 1195222604 /nfs/dbraw/zinc/22/26/04/1195222604.db2.gz ABIVYCCNDIAQSZ-WBVHZDCISA-N 0 3 387.484 0.894 20 0 GCADHN Cc1nc(C(=O)N(C)C)ccc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000517851403 1195224615 /nfs/dbraw/zinc/22/46/15/1195224615.db2.gz OWVRRQWEISJCIA-QGZVFWFLSA-N 0 3 389.500 0.764 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426108821 1195235951 /nfs/dbraw/zinc/23/59/51/1195235951.db2.gz JIEBROTYOXPPBY-GRYCIOLGSA-N 0 3 378.395 0.099 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)c1cc(S(N)(=O)=O)oc1C ZINC000426160257 1195250630 /nfs/dbraw/zinc/25/06/30/1195250630.db2.gz JUWJDZRWSKSHQZ-UHFFFAOYSA-N 0 3 386.518 0.725 20 0 GCADHN COCCn1cc(CNC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)cn1 ZINC000506408449 1195260793 /nfs/dbraw/zinc/26/07/93/1195260793.db2.gz NLMDZOIVIHPTTH-UHFFFAOYSA-N 0 3 399.495 0.361 20 0 GCADHN COCCN(C)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000518199012 1195265859 /nfs/dbraw/zinc/26/58/59/1195265859.db2.gz DHEIJXUOZMKEBG-UHFFFAOYSA-N 0 3 376.457 0.427 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2CCN(C3CCC3)CC2)Cc2ccccc2C1 ZINC000506441174 1195269790 /nfs/dbraw/zinc/26/97/90/1195269790.db2.gz WZNYJPGEVISCRR-UHFFFAOYSA-N 0 3 384.524 0.899 20 0 GCADHN COCCn1cc(N2C[C@H](C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)CC2=O)cn1 ZINC000295108629 1195272649 /nfs/dbraw/zinc/27/26/49/1195272649.db2.gz LAIHAOMFGWRJPE-JJRVBVJISA-N 0 3 375.473 0.481 20 0 GCADHN CN(c1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCC1 ZINC000518398714 1195286836 /nfs/dbraw/zinc/28/68/36/1195286836.db2.gz ZBJXVBLTGHJYTO-HZPDHXFCSA-N 0 3 399.495 0.774 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)CCN2CCCC2)ccc1C ZINC000439206476 1195294665 /nfs/dbraw/zinc/29/46/65/1195294665.db2.gz ZCBLFZQSVFDCBG-UHFFFAOYSA-N 0 3 382.486 0.396 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC000439202278 1195296387 /nfs/dbraw/zinc/29/63/87/1195296387.db2.gz VUZOFOHUQDRUJP-UHFFFAOYSA-N 0 3 376.457 0.694 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN2CCCN(CC(=O)N3CCCC3)CC2)C[C@@H](C)O1 ZINC000518511717 1195299100 /nfs/dbraw/zinc/29/91/00/1195299100.db2.gz XONVEQYUGCWYFZ-QRVBRYPASA-N 0 3 382.549 0.087 20 0 GCADHN Cc1oc2ccccc2c1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000518565903 1195302446 /nfs/dbraw/zinc/30/24/46/1195302446.db2.gz RLTKWNFWNBEHHV-CJNGLKHVSA-N 0 3 384.436 0.170 20 0 GCADHN Cc1oc2ccccc2c1CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000518565904 1195302532 /nfs/dbraw/zinc/30/25/32/1195302532.db2.gz RLTKWNFWNBEHHV-CZUORRHYSA-N 0 3 384.436 0.170 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)[C@@H](CC)CO1 ZINC000653376741 1195305358 /nfs/dbraw/zinc/30/53/58/1195305358.db2.gz JEHKNDWWUYONDR-FGTMMUONSA-N 0 3 382.549 0.792 20 0 GCADHN CN(C)CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CSCC(=O)N1)CC2 ZINC001270475660 1195312003 /nfs/dbraw/zinc/31/20/03/1195312003.db2.gz PYQCXPBAEVKUAM-CQSZACIVSA-N 0 3 382.530 0.011 20 0 GCADHN C[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000518682332 1195318420 /nfs/dbraw/zinc/31/84/20/1195318420.db2.gz BQIWKDKPIKJKQX-LBPRGKRZSA-N 0 3 382.486 0.260 20 0 GCADHN CC[C@H](NC(=O)NC1CCN(CCOC(C)C)CC1)C(=O)N1CCOCC1 ZINC000439460411 1195321921 /nfs/dbraw/zinc/32/19/21/1195321921.db2.gz GZKLFEXJZJZNRL-KRWDZBQOSA-N 0 3 384.521 0.812 20 0 GCADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715731 1195324563 /nfs/dbraw/zinc/32/45/63/1195324563.db2.gz NRIUABVCHNWBOA-WNHJNPCNSA-N 0 3 386.496 0.355 20 0 GCADHN NC(=O)C1(O)CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000614517378 1195325433 /nfs/dbraw/zinc/32/54/33/1195325433.db2.gz IYMLERAZVLUUQV-OAHLLOKOSA-N 0 3 381.423 0.983 20 0 GCADHN NC(=O)C1(O)CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000614517377 1195325569 /nfs/dbraw/zinc/32/55/69/1195325569.db2.gz IYMLERAZVLUUQV-HNNXBMFYSA-N 0 3 381.423 0.983 20 0 GCADHN CN(C)CCN1CCN(c2nc(N)nc(C(F)(F)C(F)(F)F)n2)CC1=O ZINC000894384074 1195329272 /nfs/dbraw/zinc/32/92/72/1195329272.db2.gz YLTVLBBBIBJVET-UHFFFAOYSA-N 0 3 383.325 0.318 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000426427664 1195331929 /nfs/dbraw/zinc/33/19/29/1195331929.db2.gz OXIXYRLYHKTVKV-KRWDZBQOSA-N 0 3 384.521 0.766 20 0 GCADHN CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000518796868 1195334589 /nfs/dbraw/zinc/33/45/89/1195334589.db2.gz CCVRWCNRRHGXTH-RYUDHWBXSA-N 0 3 379.848 0.115 20 0 GCADHN CN1CCN(c2ncccc2CNC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000297421619 1195337914 /nfs/dbraw/zinc/33/79/14/1195337914.db2.gz ZBAMWMMRAHELIT-SFHVURJKSA-N 0 3 390.532 0.479 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000439625997 1195338318 /nfs/dbraw/zinc/33/83/18/1195338318.db2.gz PGLBKPNDYVPGOO-UHFFFAOYSA-N 0 3 393.484 0.738 20 0 GCADHN COCCN1CCC(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)CC1 ZINC000518861139 1195340934 /nfs/dbraw/zinc/34/09/34/1195340934.db2.gz RAJMEFFXEFHABG-UHFFFAOYSA-N 0 3 387.440 0.673 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2ncn(-c3ccccc3)n2)CC1 ZINC000297616698 1195341912 /nfs/dbraw/zinc/34/19/12/1195341912.db2.gz XEIZQKUTULXNCD-QGZVFWFLSA-N 0 3 397.483 0.715 20 0 GCADHN COC(=O)c1ccc(OCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000518945974 1195350796 /nfs/dbraw/zinc/35/07/96/1195350796.db2.gz XULBARBRVOPFOU-SWLSCSKDSA-N 0 3 393.440 0.197 20 0 GCADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc1 ZINC000519001005 1195356703 /nfs/dbraw/zinc/35/67/03/1195356703.db2.gz MJBJMRRKQWVIRY-UKRRQHHQSA-N 0 3 381.502 0.297 20 0 GCADHN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000519024640 1195361184 /nfs/dbraw/zinc/36/11/84/1195361184.db2.gz YOURFCYVJWGUNR-CHWSQXEVSA-N 0 3 390.406 0.353 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@@H](CC)CO1 ZINC000653389186 1195364105 /nfs/dbraw/zinc/36/41/05/1195364105.db2.gz WDKHKNCEENTLMV-BBWFWOEESA-N 0 3 396.532 0.461 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)CN3CCN(Cc4ccccc4)CC3)C2)nn1 ZINC000519153381 1195373846 /nfs/dbraw/zinc/37/38/46/1195373846.db2.gz RVILGXXDUPLBHB-FQEVSTJZSA-N 0 3 397.527 0.718 20 0 GCADHN CN(C)C(=O)COc1ccccc1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000519153440 1195374151 /nfs/dbraw/zinc/37/41/51/1195374151.db2.gz XFIHFZNNXQLYBA-OAHLLOKOSA-N 0 3 386.456 0.681 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000519162430 1195374881 /nfs/dbraw/zinc/37/48/81/1195374881.db2.gz LZJJZJKYIYUGTH-HZSPNIEDSA-N 0 3 396.513 0.911 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000664783371 1195380923 /nfs/dbraw/zinc/38/09/23/1195380923.db2.gz GPIBBDYIQNVUCO-HNNXBMFYSA-N 0 3 389.566 0.677 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](CO)CCOC)c2)CC1 ZINC000440089279 1195382019 /nfs/dbraw/zinc/38/20/19/1195382019.db2.gz QATXMAFRGQDLJJ-MRXNPFEDSA-N 0 3 378.473 0.281 20 0 GCADHN COCC[C@H](CO)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000440095005 1195384427 /nfs/dbraw/zinc/38/44/27/1195384427.db2.gz AQDNIVWNJNDSPK-QGZVFWFLSA-N 0 3 392.500 0.669 20 0 GCADHN CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)C(N)=O ZINC000440126679 1195386054 /nfs/dbraw/zinc/38/60/54/1195386054.db2.gz RADHMGRCVFRRPS-QGZVFWFLSA-N 0 3 389.500 0.782 20 0 GCADHN Cc1cc(NC(=O)CSCC(=O)NC[C@@H](C)CN2CCN(C)CC2)no1 ZINC000298972174 1195387077 /nfs/dbraw/zinc/38/70/77/1195387077.db2.gz DNRAIAXXNPQWGG-CYBMUJFWSA-N 0 3 383.518 0.654 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(OC)c(OC)cc2F)CC1 ZINC000519364183 1195397708 /nfs/dbraw/zinc/39/77/08/1195397708.db2.gz UWHPQKJRORSJRI-ZDUSSCGKSA-N 0 3 396.463 0.924 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCN(C)C(=O)[C@@H]3C)c2)CC1 ZINC000440291550 1195402646 /nfs/dbraw/zinc/40/26/46/1195402646.db2.gz ARHXHBBSFUPCHV-HNNXBMFYSA-N 0 3 387.484 0.456 20 0 GCADHN C[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000440293113 1195403144 /nfs/dbraw/zinc/40/31/44/1195403144.db2.gz LSHYGVLTFRKHDG-AWEZNQCLSA-N 0 3 375.473 0.656 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@H](C)O1 ZINC000550034925 1195416470 /nfs/dbraw/zinc/41/64/70/1195416470.db2.gz OHJHJQIQMBLEHC-JQHSSLGASA-N 0 3 377.485 0.538 20 0 GCADHN Cc1nnc2n1C[C@@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)CC2 ZINC000550035531 1195419218 /nfs/dbraw/zinc/41/92/18/1195419218.db2.gz SKAQGMBINXQIMY-QZTJIDSGSA-N 0 3 398.511 0.554 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](c2nncn2C)C(C)C)CC1 ZINC000509612619 1195420757 /nfs/dbraw/zinc/42/07/57/1195420757.db2.gz ZKOBHWLKADKDDY-INIZCTEOSA-N 0 3 379.509 0.708 20 0 GCADHN CCOC1CC(CNC(=O)N2CCN(C)CCN(C)CC2)(N2CCOCC2)C1 ZINC000894465275 1195429151 /nfs/dbraw/zinc/42/91/51/1195429151.db2.gz KHDYUXMMOFYYFF-UHFFFAOYSA-N 0 3 397.564 0.145 20 0 GCADHN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)C2)n(C)n1 ZINC000894461885 1195429604 /nfs/dbraw/zinc/42/96/04/1195429604.db2.gz DEZIIHYCKSSPKS-RCCFBDPRSA-N 0 3 390.532 0.938 20 0 GCADHN C[C@@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)NCCN1CCCCC1 ZINC000550117083 1195441503 /nfs/dbraw/zinc/44/15/03/1195441503.db2.gz SHINHQOBIDNWME-CQSZACIVSA-N 0 3 395.504 0.204 20 0 GCADHN Cn1cc(C[C@H](CO)CNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 ZINC000550132543 1195445585 /nfs/dbraw/zinc/44/55/85/1195445585.db2.gz HZJRMTSBKUGUPX-IBGZPJMESA-N 0 3 385.512 0.900 20 0 GCADHN Cc1ccc(OCCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000550133984 1195445621 /nfs/dbraw/zinc/44/56/21/1195445621.db2.gz XGWAKUSTODNWMA-UHFFFAOYSA-N 0 3 390.528 0.941 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000550141191 1195447486 /nfs/dbraw/zinc/44/74/86/1195447486.db2.gz RRMWENWHVOMOGD-CRAIPNDOSA-N 0 3 380.445 0.445 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000550141192 1195447649 /nfs/dbraw/zinc/44/76/49/1195447649.db2.gz RRMWENWHVOMOGD-MAUKXSAKSA-N 0 3 380.445 0.445 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000473714573 1195448740 /nfs/dbraw/zinc/44/87/40/1195448740.db2.gz JLSAMWXPRSYOQN-UHFFFAOYSA-N 0 3 391.497 0.931 20 0 GCADHN CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000894599855 1195450762 /nfs/dbraw/zinc/45/07/62/1195450762.db2.gz VEACUVSONPOCHT-CYBMUJFWSA-N 0 3 390.456 0.979 20 0 GCADHN CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C)C1 ZINC000894599855 1195450764 /nfs/dbraw/zinc/45/07/64/1195450764.db2.gz VEACUVSONPOCHT-CYBMUJFWSA-N 0 3 390.456 0.979 20 0 GCADHN CN(C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCCN(C)C1 ZINC000894599855 1195450765 /nfs/dbraw/zinc/45/07/65/1195450765.db2.gz VEACUVSONPOCHT-CYBMUJFWSA-N 0 3 390.456 0.979 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CC1 ZINC000111661015 1195457234 /nfs/dbraw/zinc/45/72/34/1195457234.db2.gz KSOFYQVOSRJSEK-IEBWSBKVSA-N 0 3 388.512 0.556 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cccc(C(=O)N3CCCC3)n2)CC1 ZINC000329702711 1195458653 /nfs/dbraw/zinc/45/86/53/1195458653.db2.gz HZOIGWZUBJXRIU-UHFFFAOYSA-N 0 3 399.495 0.698 20 0 GCADHN CCO[C@@H]1C[C@@](O)(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC000473810780 1195468287 /nfs/dbraw/zinc/46/82/87/1195468287.db2.gz OOUIEFITKSCTKX-RZQQEMMASA-N 0 3 398.548 0.794 20 0 GCADHN CCO[C@@H]1C[C@](O)(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC000473810779 1195468410 /nfs/dbraw/zinc/46/84/10/1195468410.db2.gz OOUIEFITKSCTKX-QINHECLXSA-N 0 3 398.548 0.794 20 0 GCADHN C[C@H](c1ccccc1)N(C)C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000550249992 1195470166 /nfs/dbraw/zinc/47/01/66/1195470166.db2.gz IDQAOVLVHIRXNQ-GOSISDBHSA-N 0 3 390.528 0.712 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)c3scnc3C(F)(F)F)C2)OCC1=O ZINC001270682458 1195481232 /nfs/dbraw/zinc/48/12/32/1195481232.db2.gz AYZLHDVWSXHRRX-UHFFFAOYSA-N 0 3 392.403 0.777 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@@H](O)CN1CCC(Cn2cncn2)CC1 ZINC000426769199 1195482272 /nfs/dbraw/zinc/48/22/72/1195482272.db2.gz GVVQMDUHYIHPCJ-KRWDZBQOSA-N 0 3 384.440 0.868 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1C ZINC000426921699 1195492291 /nfs/dbraw/zinc/49/22/91/1195492291.db2.gz TZKXZGVOFRCOQY-UHFFFAOYSA-N 0 3 391.472 0.500 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000664865831 1195511591 /nfs/dbraw/zinc/51/15/91/1195511591.db2.gz MGGQLRXWBOZQKB-GDBMZVCRSA-N 0 3 383.518 0.469 20 0 GCADHN COc1ccc(CCNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1S(N)(=O)=O ZINC000507409594 1195517803 /nfs/dbraw/zinc/51/78/03/1195517803.db2.gz ROAPUXPSMFWIAZ-GJZGRUSLSA-N 0 3 396.513 0.621 20 0 GCADHN COc1ccc(CCNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1S(N)(=O)=O ZINC000507412234 1195518029 /nfs/dbraw/zinc/51/80/29/1195518029.db2.gz FFNDXGJNHANUOM-CYBMUJFWSA-N 0 3 382.486 0.421 20 0 GCADHN CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427337851 1195527288 /nfs/dbraw/zinc/52/72/88/1195527288.db2.gz WQZYESMXEFUQBO-RVKKMQEKSA-N 0 3 396.532 0.495 20 0 GCADHN CN(C)CCn1nnnc1SCn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000427334674 1195528390 /nfs/dbraw/zinc/52/83/90/1195528390.db2.gz BATLSXUTAFDLCH-UHFFFAOYSA-N 0 3 398.456 0.275 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000507553296 1195530770 /nfs/dbraw/zinc/53/07/70/1195530770.db2.gz RKVMPDLEDLIGPR-ZDUSSCGKSA-N 0 3 384.502 0.618 20 0 GCADHN CC[C@@H](C)N[C@@H](CNC(=O)N1CCN(S(=O)(=O)NC)CC1)c1ccco1 ZINC000664874673 1195539364 /nfs/dbraw/zinc/53/93/64/1195539364.db2.gz OHCUYWVOQSMXLN-KGLIPLIRSA-N 0 3 387.506 0.500 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000507675599 1195545897 /nfs/dbraw/zinc/54/58/97/1195545897.db2.gz YQIPICBPVNLEFN-IAGOWNOFSA-N 0 3 395.548 0.877 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)[C@@H]3COC[C@H]3O)c2)CC1 ZINC000507675170 1195545974 /nfs/dbraw/zinc/54/59/74/1195545974.db2.gz JYGKAJPDSQROJI-QZTJIDSGSA-N 0 3 390.484 0.374 20 0 GCADHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H]2C1 ZINC000664914906 1195555239 /nfs/dbraw/zinc/55/52/39/1195555239.db2.gz IEFHLYHKKFFQQC-BBWFWOEESA-N 0 3 381.521 0.295 20 0 GCADHN CCCCOCCCNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000550308260 1195557147 /nfs/dbraw/zinc/55/71/47/1195557147.db2.gz REOQXSKLYADGHE-GOSISDBHSA-N 0 3 382.549 0.936 20 0 GCADHN CCCCOCCCNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000550308261 1195557421 /nfs/dbraw/zinc/55/74/21/1195557421.db2.gz REOQXSKLYADGHE-SFHVURJKSA-N 0 3 382.549 0.936 20 0 GCADHN Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000519617903 1195558212 /nfs/dbraw/zinc/55/82/12/1195558212.db2.gz QFWLYXOKJGWTOF-HUUCEWRRSA-N 0 3 396.451 0.198 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000519675870 1195562288 /nfs/dbraw/zinc/56/22/88/1195562288.db2.gz YWUYMYQMTKYKIK-WBVHZDCISA-N 0 3 393.532 0.787 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000519675870 1195562291 /nfs/dbraw/zinc/56/22/91/1195562291.db2.gz YWUYMYQMTKYKIK-WBVHZDCISA-N 0 3 393.532 0.787 20 0 GCADHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)CCN2C1=O ZINC000519702200 1195563924 /nfs/dbraw/zinc/56/39/24/1195563924.db2.gz DSTKKPRXJPBYLB-SJORKVTESA-N 0 3 394.479 0.932 20 0 GCADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000519704053 1195564211 /nfs/dbraw/zinc/56/42/11/1195564211.db2.gz GHSZHDBJYLYRTP-MJGOQNOKSA-N 0 3 398.507 0.836 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(C)o1 ZINC000519826177 1195573659 /nfs/dbraw/zinc/57/36/59/1195573659.db2.gz PAQXVPSDBRITFR-HIFRSBDPSA-N 0 3 385.486 0.855 20 0 GCADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H](C)CN1 ZINC000519829715 1195573967 /nfs/dbraw/zinc/57/39/67/1195573967.db2.gz YPZXNHFQWGZYKN-CHWSQXEVSA-N 0 3 383.470 0.335 20 0 GCADHN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)[C@@H]2C1 ZINC000894892595 1195586822 /nfs/dbraw/zinc/58/68/22/1195586822.db2.gz ATLHUZHIPSJTEY-APAFKAMOSA-N 0 3 378.517 0.874 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000440981776 1195592398 /nfs/dbraw/zinc/59/23/98/1195592398.db2.gz OPVLSYROMCKGOA-HNNXBMFYSA-N 0 3 380.489 0.666 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000188163130 1195594021 /nfs/dbraw/zinc/59/40/21/1195594021.db2.gz RKRDMCIEEHDADT-UHFFFAOYSA-N 0 3 386.493 0.790 20 0 GCADHN O=C(CNC1(CO)CCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000441040114 1195597871 /nfs/dbraw/zinc/59/78/71/1195597871.db2.gz LHESNKADGHRJHF-UHFFFAOYSA-N 0 3 397.497 0.541 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)[C@H]2C1 ZINC000520271624 1195613172 /nfs/dbraw/zinc/61/31/72/1195613172.db2.gz QCEHKSXOONSXSD-SCNOPHJPSA-N 0 3 375.473 0.261 20 0 GCADHN COC(=O)[C@H](O)C1CCN(C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000441232083 1195615029 /nfs/dbraw/zinc/61/50/29/1195615029.db2.gz XPYDINAHHDJWBL-RHSMWYFYSA-N 0 3 383.441 0.689 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3cnc4sccn34)C[C@@]2(F)C1=O ZINC001270843960 1195617244 /nfs/dbraw/zinc/61/72/44/1195617244.db2.gz LRMKEUFBAYKAFI-HZPDHXFCSA-N 0 3 383.424 0.672 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)c3cnc4sccn34)C2)OCC1=O ZINC001270843688 1195617314 /nfs/dbraw/zinc/61/73/14/1195617314.db2.gz IKPNFWPIJQUOGS-KRWDZBQOSA-N 0 3 377.470 0.401 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)c3cnc4sccn34)C2)OCC1=O ZINC001270843690 1195617422 /nfs/dbraw/zinc/61/74/22/1195617422.db2.gz IKPNFWPIJQUOGS-QGZVFWFLSA-N 0 3 377.470 0.401 20 0 GCADHN CCCS(=O)(=O)CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000520358411 1195623114 /nfs/dbraw/zinc/62/31/14/1195623114.db2.gz DIOYTYBZHUNVML-UHFFFAOYSA-N 0 3 395.525 0.953 20 0 GCADHN CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000520366690 1195627594 /nfs/dbraw/zinc/62/75/94/1195627594.db2.gz YCDGHCQDNOMQJW-CQSZACIVSA-N 0 3 382.486 0.344 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(Cn3cccn3)cc2)n1 ZINC000550345155 1195638497 /nfs/dbraw/zinc/63/84/97/1195638497.db2.gz DHKYCNPYYPUVKI-UHFFFAOYSA-N 0 3 382.472 0.219 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1)N1CCC[C@H](C)C1 ZINC000550358487 1195643441 /nfs/dbraw/zinc/64/34/41/1195643441.db2.gz UBHCRRBYWLRCJH-GJZGRUSLSA-N 0 3 378.517 0.740 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)N1CCOCC1 ZINC000550362271 1195645771 /nfs/dbraw/zinc/64/57/71/1195645771.db2.gz LDXRQAQFQNZTJP-XYJFISCASA-N 0 3 380.533 0.591 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)NCCCCn1ccnc1)N1CCN(C)CC1 ZINC000550383173 1195651555 /nfs/dbraw/zinc/65/15/55/1195651555.db2.gz DBEYMZMUWUPODJ-QGZVFWFLSA-N 0 3 378.521 0.168 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C(C)C)N1CCN(C)CC1 ZINC000550383749 1195651814 /nfs/dbraw/zinc/65/18/14/1195651814.db2.gz RYWHLHVYUJIJQI-ZWKOTPCHSA-N 0 3 381.565 0.173 20 0 GCADHN CC(C)(O)CN1CCN(c2cc(N3CCN(CC(C)(C)O)CC3)ncn2)CC1 ZINC000123479952 1195652334 /nfs/dbraw/zinc/65/23/34/1195652334.db2.gz CHEDJDBQDTZWQD-UHFFFAOYSA-N 0 3 392.548 0.262 20 0 GCADHN CC(C)[C@@H]1C[C@@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c2ccccc21 ZINC000520430705 1195656026 /nfs/dbraw/zinc/65/60/26/1195656026.db2.gz IRLBAKZDCADIEB-QGWWYQLQSA-N 0 3 398.507 0.800 20 0 GCADHN CCN1CCN(CCC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CC1 ZINC000328653217 1195657567 /nfs/dbraw/zinc/65/75/67/1195657567.db2.gz CCJCVPPLIAOVFC-UHFFFAOYSA-N 0 3 386.562 0.431 20 0 GCADHN CN1CCN(CCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1(C)C ZINC000328713595 1195662495 /nfs/dbraw/zinc/66/24/95/1195662495.db2.gz NWEBSUQRFBVLFY-UHFFFAOYSA-N 0 3 394.541 0.982 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2coc(C3CCOCC3)n2)CC1 ZINC000328740704 1195663045 /nfs/dbraw/zinc/66/30/45/1195663045.db2.gz LYIKUNOKDYYFLX-MRXNPFEDSA-N 0 3 376.457 0.947 20 0 GCADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCCO1 ZINC000520434411 1195669344 /nfs/dbraw/zinc/66/93/44/1195669344.db2.gz ZNHKUGGKYXEAGY-MRXNPFEDSA-N 0 3 376.505 0.764 20 0 GCADHN CSc1nc2nc(C)c(CC(=O)N3CCO[C@@H]4CCN(C)C[C@H]43)c(C)n2n1 ZINC000328934334 1195676647 /nfs/dbraw/zinc/67/66/47/1195676647.db2.gz CEBUBRKYDPVROL-HUUCEWRRSA-N 0 3 390.513 0.937 20 0 GCADHN COCc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330732908 1195707516 /nfs/dbraw/zinc/70/75/16/1195707516.db2.gz SHNBTZMCMJDRSZ-MRXNPFEDSA-N 0 3 381.498 0.760 20 0 GCADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@H](CN(C)C)C2)cc1C ZINC000330816834 1195709208 /nfs/dbraw/zinc/70/92/08/1195709208.db2.gz OWSMSLFZCJGNES-MRXNPFEDSA-N 0 3 383.514 0.713 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000665013934 1195716573 /nfs/dbraw/zinc/71/65/73/1195716573.db2.gz ACQJOEQAACIODB-QGZVFWFLSA-N 0 3 397.545 0.688 20 0 GCADHN CN(C)Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 ZINC000331177056 1195722821 /nfs/dbraw/zinc/72/28/21/1195722821.db2.gz LPNSCNLUVWCPJC-UHFFFAOYSA-N 0 3 377.470 0.618 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000334076654 1195733833 /nfs/dbraw/zinc/73/38/33/1195733833.db2.gz PZJUUYLCYBVGAO-NWDGAFQWSA-N 0 3 393.410 0.001 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N(CCO)C1CCOCC1)Cc1ccccc1 ZINC000550410168 1195741880 /nfs/dbraw/zinc/74/18/80/1195741880.db2.gz NZSKFEFLDBUKLQ-GOSISDBHSA-N 0 3 377.485 0.275 20 0 GCADHN CCN1CCN(CCCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000189023706 1195742512 /nfs/dbraw/zinc/74/25/12/1195742512.db2.gz AGTZYQOFVKXGFH-OALUTQOASA-N 0 3 392.544 0.571 20 0 GCADHN CCN1C(=O)C(=CNC[C@H]2CN(CC(C)C)CCO2)C(=O)N(CC)C1=S ZINC000028966610 1195743488 /nfs/dbraw/zinc/74/34/88/1195743488.db2.gz YXTSCFUHXBYJPV-AWEZNQCLSA-N 0 3 382.530 0.812 20 0 GCADHN CS(=O)(=O)Nc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000729497123 1195745222 /nfs/dbraw/zinc/74/52/22/1195745222.db2.gz LURCIYQSRUDHLQ-CVEARBPZSA-N 0 3 382.486 0.721 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000507756568 1195746037 /nfs/dbraw/zinc/74/60/37/1195746037.db2.gz HMHSDJVAQKXKIE-UHFFFAOYSA-N 0 3 375.473 0.821 20 0 GCADHN Cc1nn(C)c2ncc(S(=O)(=O)NC[C@H](O)CN3CCC(C)CC3)cc12 ZINC000161679671 1195746443 /nfs/dbraw/zinc/74/64/43/1195746443.db2.gz MAZNXWLLRFJZHT-AWEZNQCLSA-N 0 3 381.502 0.648 20 0 GCADHN C[C@H](O)CN1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C ZINC000252353178 1195747716 /nfs/dbraw/zinc/74/77/16/1195747716.db2.gz SBDHSUAWCSYEKI-MSOLQXFVSA-N 0 3 375.517 0.507 20 0 GCADHN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000550411668 1195752154 /nfs/dbraw/zinc/75/21/54/1195752154.db2.gz BFZOTPIOUPZXNP-NJAFHUGGSA-N 0 3 377.485 0.586 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1=O)CC(C)(C)C ZINC001719866313 1195752484 /nfs/dbraw/zinc/75/24/84/1195752484.db2.gz KWQOJZZBGGHNHI-PMPSAXMXSA-N 0 3 378.517 0.835 20 0 GCADHN CNC(=O)CC1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000550414894 1195757809 /nfs/dbraw/zinc/75/78/09/1195757809.db2.gz PUGIIDBCVAIFIR-SFHVURJKSA-N 0 3 388.512 0.650 20 0 GCADHN CNC(=O)C[C@@H](C)NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000459046478 1195760730 /nfs/dbraw/zinc/76/07/30/1195760730.db2.gz BKHCHTPXPODHGN-QGZVFWFLSA-N 0 3 375.517 0.970 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000132912980 1195767078 /nfs/dbraw/zinc/76/70/78/1195767078.db2.gz XJKHLSOIWLPCLA-CQSZACIVSA-N 0 3 382.530 0.707 20 0 GCADHN O=C(N[C@H]1CCN(C2CC2)C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000067283786 1195767767 /nfs/dbraw/zinc/76/77/67/1195767767.db2.gz VLLBGIYPIGMVMN-HNNXBMFYSA-N 0 3 378.498 0.835 20 0 GCADHN Cn1nnnc1SCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000536431787 1195770223 /nfs/dbraw/zinc/77/02/23/1195770223.db2.gz DWQDQMOXTPZKNK-CVEARBPZSA-N 0 3 390.513 0.692 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CC1)C2)CC(C)(C)C ZINC001719877294 1195771907 /nfs/dbraw/zinc/77/19/07/1195771907.db2.gz XDAYAYAHPNNTGN-OAGGEKHMSA-N 0 3 378.517 0.739 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000053052974 1195773031 /nfs/dbraw/zinc/77/30/31/1195773031.db2.gz JRWFXCSTJHTFDD-SJORKVTESA-N 0 3 388.578 0.723 20 0 GCADHN CCN(C(=O)NCCOCCS(N)(=O)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000665104014 1195777698 /nfs/dbraw/zinc/77/76/98/1195777698.db2.gz BYEQFKUGAVUONU-QGZVFWFLSA-N 0 3 398.529 0.598 20 0 GCADHN C[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000441546070 1195781789 /nfs/dbraw/zinc/78/17/89/1195781789.db2.gz MNRDJKDMGYUQDE-XJKSGUPXSA-N 0 3 376.457 0.288 20 0 GCADHN C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000441546069 1195781815 /nfs/dbraw/zinc/78/18/15/1195781815.db2.gz MNRDJKDMGYUQDE-CZUORRHYSA-N 0 3 376.457 0.288 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCCCO)cc1)[C@H]1CCCN(C)C1 ZINC000441568420 1195786733 /nfs/dbraw/zinc/78/67/33/1195786733.db2.gz GUHIGAXHOPHVGS-INIZCTEOSA-N 0 3 376.457 0.290 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCCCO)cc1)[C@@H]1CCCN(C)C1 ZINC000441568423 1195786844 /nfs/dbraw/zinc/78/68/44/1195786844.db2.gz GUHIGAXHOPHVGS-MRXNPFEDSA-N 0 3 376.457 0.290 20 0 GCADHN CNS(=O)(=O)c1cccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000184180451 1195815731 /nfs/dbraw/zinc/81/57/31/1195815731.db2.gz KIYUJRVKTVJKAJ-UHFFFAOYSA-N 0 3 382.530 0.741 20 0 GCADHN CSc1ncc(Cl)c(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)n1 ZINC001270890590 1195818762 /nfs/dbraw/zinc/81/87/62/1195818762.db2.gz KHMDYYBSUCXHTQ-UHFFFAOYSA-N 0 3 399.904 0.467 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cccc(C(=O)NC)c2)CC1 ZINC000441719143 1195824955 /nfs/dbraw/zinc/82/49/55/1195824955.db2.gz PMZRMROUSUPJRB-HNNXBMFYSA-N 0 3 389.500 0.375 20 0 GCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)NCCn3cccn3)c2)CC1 ZINC000441733637 1195829602 /nfs/dbraw/zinc/82/96/02/1195829602.db2.gz VSQJJYHLJPLERJ-UHFFFAOYSA-N 0 3 398.467 0.335 20 0 GCADHN CNC(=O)CN1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000195024502 1195829866 /nfs/dbraw/zinc/82/98/66/1195829866.db2.gz CCAFDSXFWUTBKG-UHFFFAOYSA-N 0 3 387.528 0.721 20 0 GCADHN CN(C)[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)c1ccccc1 ZINC000665201584 1195846294 /nfs/dbraw/zinc/84/62/94/1195846294.db2.gz FWOHRTHHWARMLV-INIZCTEOSA-N 0 3 376.482 0.966 20 0 GCADHN Cc1cnn(C[C@@H]2CN(C(=O)N[C@H](C)CCN3CCN(C)CC3)CCO2)c1 ZINC000186100898 1195859088 /nfs/dbraw/zinc/85/90/88/1195859088.db2.gz ZYKVRXQQQDRGEL-MSOLQXFVSA-N 0 3 378.521 0.628 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000427684371 1195865639 /nfs/dbraw/zinc/86/56/39/1195865639.db2.gz FKVVCQNDYNUWDC-CHWSQXEVSA-N 0 3 392.456 0.259 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000427684373 1195865808 /nfs/dbraw/zinc/86/58/08/1195865808.db2.gz FKVVCQNDYNUWDC-QWHCGFSZSA-N 0 3 392.456 0.259 20 0 GCADHN CN1CCN(CCNC(=O)CNC(=O)NCc2ccc(F)cc2)CC1(C)C ZINC000508298947 1195916377 /nfs/dbraw/zinc/91/63/77/1195916377.db2.gz BJJPAEBBGUJLAF-UHFFFAOYSA-N 0 3 379.480 0.767 20 0 GCADHN CN1CCN(CCNC(=O)Cc2cccc(NS(C)(=O)=O)c2)CC1(C)C ZINC000508317226 1195918310 /nfs/dbraw/zinc/91/83/10/1195918310.db2.gz OAYVVQTTXUAUPX-UHFFFAOYSA-N 0 3 382.530 0.743 20 0 GCADHN COC(=O)c1sc2[n-]c(CN3CCN([C@H]4CC[NH2+]C4)CC3)nc(=O)c2c1C ZINC000520813297 1195922925 /nfs/dbraw/zinc/92/29/25/1195922925.db2.gz ZBDUUSMXAPOPPR-LBPRGKRZSA-N 0 3 391.497 0.559 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000441839334 1195923889 /nfs/dbraw/zinc/92/38/89/1195923889.db2.gz NYFLIKABGYOMHI-MRXNPFEDSA-N 0 3 386.456 0.560 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000441951142 1195935134 /nfs/dbraw/zinc/93/51/34/1195935134.db2.gz BDZXCIXYJAGXRL-LJQANCHMSA-N 0 3 379.457 0.896 20 0 GCADHN CCN1CCCN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)CC1 ZINC000442028849 1195944746 /nfs/dbraw/zinc/94/47/46/1195944746.db2.gz QQESQNXIYLYINV-UHFFFAOYSA-N 0 3 383.460 0.419 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccc(CN4CCCC4=O)cc3)CCN2C1=O ZINC000521070916 1195959614 /nfs/dbraw/zinc/95/96/14/1195959614.db2.gz SCUQAVVFPLSOMX-IRXDYDNUSA-N 0 3 385.468 0.262 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000442178887 1195961412 /nfs/dbraw/zinc/96/14/12/1195961412.db2.gz WYIPLLDPRVZECY-UHFFFAOYSA-N 0 3 376.457 0.619 20 0 GCADHN CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000521131786 1195964410 /nfs/dbraw/zinc/96/44/10/1195964410.db2.gz CNFZGSQXJLODSG-CQSZACIVSA-N 0 3 377.493 0.179 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3C[C@H](F)C[C@@H]3CO)cn2)CC1 ZINC000442260350 1195967391 /nfs/dbraw/zinc/96/73/91/1195967391.db2.gz CPGWISSCWIBTPB-TZMCWYRMSA-N 0 3 380.420 0.424 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000442327155 1195976344 /nfs/dbraw/zinc/97/63/44/1195976344.db2.gz AHGSKVZXOKCFTP-CQSZACIVSA-N 0 3 388.468 0.907 20 0 GCADHN COc1ccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1-n1cnnn1 ZINC000442341353 1195979216 /nfs/dbraw/zinc/97/92/16/1195979216.db2.gz ONACMHFBSLQZAE-GFCCVEGCSA-N 0 3 385.428 0.376 20 0 GCADHN C[C@@H](NC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C1=CCN(C)CC1 ZINC000442340781 1195979419 /nfs/dbraw/zinc/97/94/19/1195979419.db2.gz HUYZPYFZUBZPDP-CJNGLKHVSA-N 0 3 398.463 0.597 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc(=O)[n-]1 ZINC000984134692 1195981004 /nfs/dbraw/zinc/98/10/04/1195981004.db2.gz DQTSMVOUZOYJPR-QHSBEEBCSA-N 0 3 375.473 0.801 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc(=O)[n-]1 ZINC000984134692 1195981005 /nfs/dbraw/zinc/98/10/05/1195981005.db2.gz DQTSMVOUZOYJPR-QHSBEEBCSA-N 0 3 375.473 0.801 20 0 GCADHN CC(C)(CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000521273696 1195984417 /nfs/dbraw/zinc/98/44/17/1195984417.db2.gz ATZARSYUYXVELQ-GJZGRUSLSA-N 0 3 388.468 0.689 20 0 GCADHN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000442429334 1195985497 /nfs/dbraw/zinc/98/54/97/1195985497.db2.gz DCACKRLWBIPTBZ-LJQANCHMSA-N 0 3 391.472 0.587 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000521371580 1195992001 /nfs/dbraw/zinc/99/20/01/1195992001.db2.gz HPPXPSSHEFYNDR-ZDUSSCGKSA-N 0 3 378.477 0.726 20 0 GCADHN COc1ccc([C@H](CO)N(C)C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000521392230 1195993972 /nfs/dbraw/zinc/99/39/72/1195993972.db2.gz MWKDMKBOBUHDRL-AEFFLSMTSA-N 0 3 375.469 0.884 20 0 GCADHN C[NH+](C)C[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000442591543 1195994749 /nfs/dbraw/zinc/99/47/49/1195994749.db2.gz AVDYIFRFLATZQC-GFCCVEGCSA-N 0 3 390.456 0.836 20 0 GCADHN CN(C(=O)NCCN1CCN(C)C(C)(C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000442596923 1195996192 /nfs/dbraw/zinc/99/61/92/1195996192.db2.gz WVHJAZCVJAGBCV-UHFFFAOYSA-N 0 3 389.566 0.078 20 0 GCADHN CN(CC[N@H+](C)C1CC1)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442620111 1195996885 /nfs/dbraw/zinc/99/68/85/1195996885.db2.gz IVMBBUCGTVDMEC-UHFFFAOYSA-N 0 3 390.456 0.979 20 0 GCADHN CN(CC[N@@H+](C)C1CC1)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442620111 1195996886 /nfs/dbraw/zinc/99/68/86/1195996886.db2.gz IVMBBUCGTVDMEC-UHFFFAOYSA-N 0 3 390.456 0.979 20 0 GCADHN COCCO[C@H]1C[C@@H](CO)CN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000442624531 1195997573 /nfs/dbraw/zinc/99/75/73/1195997573.db2.gz NZJQWEQAOQMEMY-SJORKVTESA-N 0 3 386.537 0.068 20 0 GCADHN CCN1CCN(CC(=O)N(C)CCCN(C)Cc2ccncc2)C(=O)C1=O ZINC000521514413 1195999660 /nfs/dbraw/zinc/99/96/60/1195999660.db2.gz XNORWKIQKZQYIN-UHFFFAOYSA-N 0 3 375.473 0.053 20 0 GCADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000521571357 1196003872 /nfs/dbraw/zinc/00/38/72/1196003872.db2.gz HPBDQZZTFDKURZ-HKUYNNGSSA-N 0 3 385.512 0.984 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@@](C)(NCC(=O)OC(C)(C)C)C2)CC1=O ZINC000442843598 1196006061 /nfs/dbraw/zinc/00/60/61/1196006061.db2.gz QHDFKUUECCCJQU-FOIQADDNSA-N 0 3 396.532 0.319 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@@](C)(NCC(=O)OC(C)(C)C)C2)CC1=O ZINC000442843600 1196006256 /nfs/dbraw/zinc/00/62/56/1196006256.db2.gz QHDFKUUECCCJQU-MGPUTAFESA-N 0 3 396.532 0.319 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000550463270 1196008915 /nfs/dbraw/zinc/00/89/15/1196008915.db2.gz JKYRXUJETDYWBO-CHWSQXEVSA-N 0 3 394.497 0.278 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000550463273 1196009012 /nfs/dbraw/zinc/00/90/12/1196009012.db2.gz JKYRXUJETDYWBO-STQMWFEESA-N 0 3 394.497 0.278 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)nc1 ZINC000521675292 1196011116 /nfs/dbraw/zinc/01/11/16/1196011116.db2.gz BYOIJKZKPYPTCG-SFHVURJKSA-N 0 3 396.495 0.819 20 0 GCADHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1nnc2n1CCC2 ZINC000521720338 1196013327 /nfs/dbraw/zinc/01/33/27/1196013327.db2.gz QFIBPEDVMMIXEX-CQSZACIVSA-N 0 3 375.477 0.235 20 0 GCADHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)N1CCC[C@H](C)C1)C2 ZINC001719895006 1196015812 /nfs/dbraw/zinc/01/58/12/1196015812.db2.gz GNHCUKVGQLVABI-HZMVEIRTSA-N 0 3 378.517 0.835 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000521934263 1196026590 /nfs/dbraw/zinc/02/65/90/1196026590.db2.gz ZXHDFBVJJJSFBE-MRXNPFEDSA-N 0 3 388.516 0.798 20 0 GCADHN C[C@H]1NC(=O)CC[C@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000443253925 1196031545 /nfs/dbraw/zinc/03/15/45/1196031545.db2.gz HGWZEDNTZJYLLB-IUODEOHRSA-N 0 3 389.456 0.276 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(C)CCN1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000550465862 1196032929 /nfs/dbraw/zinc/03/29/29/1196032929.db2.gz HFPXOCAPCSFQHJ-CYBMUJFWSA-N 0 3 382.486 0.065 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)c1 ZINC000522014126 1196035997 /nfs/dbraw/zinc/03/59/97/1196035997.db2.gz KNLFLJIXBHSSBT-AWEZNQCLSA-N 0 3 396.513 0.770 20 0 GCADHN COC(=O)c1ccc(CS(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000443289184 1196036033 /nfs/dbraw/zinc/03/60/33/1196036033.db2.gz YKSOFDKIAGRDIF-QGZVFWFLSA-N 0 3 384.498 0.985 20 0 GCADHN COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000443292915 1196036879 /nfs/dbraw/zinc/03/68/79/1196036879.db2.gz INKLXOJBCRCAPP-ZDUSSCGKSA-N 0 3 388.461 0.983 20 0 GCADHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000443335592 1196040872 /nfs/dbraw/zinc/04/08/72/1196040872.db2.gz PTIFHTHSESPFGQ-CKEIUWERSA-N 0 3 383.514 0.474 20 0 GCADHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000443335595 1196040916 /nfs/dbraw/zinc/04/09/16/1196040916.db2.gz PTIFHTHSESPFGQ-CPUCHLNUSA-N 0 3 383.514 0.474 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1Cc1n[nH]c(C2CC2)n1 ZINC001087622569 1196053079 /nfs/dbraw/zinc/05/30/79/1196053079.db2.gz UEOTYKRDDUORME-SLBVQIDZSA-N 0 3 376.505 0.870 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1Cc1ccc(C(N)=O)cc1 ZINC001087622524 1196053151 /nfs/dbraw/zinc/05/31/51/1196053151.db2.gz RHZIHIDASIRBBS-ZWQIFLOQSA-N 0 3 388.512 0.974 20 0 GCADHN CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522179903 1196053749 /nfs/dbraw/zinc/05/37/49/1196053749.db2.gz GSBRKUQCRXVEAL-LJQANCHMSA-N 0 3 387.528 0.964 20 0 GCADHN CN1CCN(c2ncc(CNCC3(O)CN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000895208298 1196054539 /nfs/dbraw/zinc/05/45/39/1196054539.db2.gz QOGLYJLETUXCRI-UHFFFAOYSA-N 0 3 392.504 0.300 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000550488855 1196054700 /nfs/dbraw/zinc/05/47/00/1196054700.db2.gz QKIGPBGCJKRXKZ-QGZVFWFLSA-N 0 3 388.468 0.584 20 0 GCADHN Cn1nccc1[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CCO1 ZINC000895214980 1196055106 /nfs/dbraw/zinc/05/51/06/1196055106.db2.gz JKPPYWKCWWIVKP-KONPQCLYSA-N 0 3 377.489 0.881 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCN1CCN1C(=O)CCC1=O ZINC001087665173 1196058474 /nfs/dbraw/zinc/05/84/74/1196058474.db2.gz AOMFBJWFJCVRNV-JYDQDUAZSA-N 0 3 375.469 0.528 20 0 GCADHN O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522203682 1196059112 /nfs/dbraw/zinc/05/91/12/1196059112.db2.gz YVQRRMXOSIMKRY-KRWDZBQOSA-N 0 3 380.514 0.140 20 0 GCADHN CCNC(=O)c1ccc(CNC(=O)C(=O)NC2CCN(CCOC)CC2)cc1 ZINC000550506422 1196063535 /nfs/dbraw/zinc/06/35/35/1196063535.db2.gz KLGUSMOWGTZURP-UHFFFAOYSA-N 0 3 390.484 0.280 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1Cc1ccc(C(=O)N(C)C)cc1 ZINC001087728944 1196068069 /nfs/dbraw/zinc/06/80/69/1196068069.db2.gz YVIBNLDWUKMLNU-VSZNYVQBSA-N 0 3 386.496 0.979 20 0 GCADHN CCOC(=O)Cn1cc(CN2CCC[C@@](CO)(OC)C2)c(-c2cnn(C)c2)n1 ZINC000895250306 1196068859 /nfs/dbraw/zinc/06/88/59/1196068859.db2.gz HTYWOVIMKQBXIV-LJQANCHMSA-N 0 3 391.472 0.820 20 0 GCADHN C[C@H]1CN(c2ccc(CNC(=O)C(=O)N(C)CCN3CCCC3)cn2)CCO1 ZINC000550512047 1196069258 /nfs/dbraw/zinc/06/92/58/1196069258.db2.gz YBJSOWSKFSANDS-INIZCTEOSA-N 0 3 389.500 0.477 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CCN1CCN1C(=O)CCC1=O ZINC001087735454 1196070843 /nfs/dbraw/zinc/07/08/43/1196070843.db2.gz MHXCGBBOWRKGOW-VVLHAWIVSA-N 0 3 387.484 0.642 20 0 GCADHN COc1ncccc1CNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000550529869 1196077999 /nfs/dbraw/zinc/07/79/99/1196077999.db2.gz XHOMWIOEMRRZRR-QGZVFWFLSA-N 0 3 389.500 0.333 20 0 GCADHN O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000895297301 1196079259 /nfs/dbraw/zinc/07/92/59/1196079259.db2.gz CDWPQQJZAXHAGA-MSOLQXFVSA-N 0 3 396.532 0.108 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000895343044 1196085319 /nfs/dbraw/zinc/08/53/19/1196085319.db2.gz DJIYWCYWJGIHNB-HUUCEWRRSA-N 0 3 391.534 0.377 20 0 GCADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000522373763 1196086876 /nfs/dbraw/zinc/08/68/76/1196086876.db2.gz QEVLLIMMJGUEFZ-GDBMZVCRSA-N 0 3 391.497 0.872 20 0 GCADHN COc1ccccc1C(=O)NNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000067483036 1196087934 /nfs/dbraw/zinc/08/79/34/1196087934.db2.gz DPDJJXSBURYNPS-UHFFFAOYSA-N 0 3 389.456 0.290 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000550567743 1196089262 /nfs/dbraw/zinc/08/92/62/1196089262.db2.gz ISSXDYAJGBCAAT-GOSISDBHSA-N 0 3 398.507 0.599 20 0 GCADHN CCN1CCN(C(=O)c2cc(C(=O)N3CCN(CC)C[C@@H]3C)[nH]n2)[C@H](C)C1 ZINC000614708754 1196091219 /nfs/dbraw/zinc/09/12/19/1196091219.db2.gz AWGIRMUZKZIABQ-GASCZTMLSA-N 0 3 376.505 0.742 20 0 GCADHN CCN1CCN(C(=O)c2cc(C(=O)N3CCN(CC)C[C@@H]3C)n[nH]2)[C@H](C)C1 ZINC000614708754 1196091222 /nfs/dbraw/zinc/09/12/22/1196091222.db2.gz AWGIRMUZKZIABQ-GASCZTMLSA-N 0 3 376.505 0.742 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000550581447 1196092726 /nfs/dbraw/zinc/09/27/26/1196092726.db2.gz IIMKDBQSUAFRIQ-IYBDPMFKSA-N 0 3 386.537 0.027 20 0 GCADHN CCN(C(=O)CN(C)CC1CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000053183879 1196096221 /nfs/dbraw/zinc/09/62/21/1196096221.db2.gz QOVKAMMCXUONON-UHFFFAOYSA-N 0 3 385.468 0.862 20 0 GCADHN OCCN1CCN(CCCCNc2cc(N3CCC[C@@H](CO)C3)ncn2)CC1 ZINC000114450921 1196099150 /nfs/dbraw/zinc/09/91/50/1196099150.db2.gz BZVJBCSFYZYCKB-GOSISDBHSA-N 0 3 392.548 0.487 20 0 GCADHN O=C(CCc1cccc2c1OCO2)NCCCCN1CCN(CCO)CC1 ZINC000474255535 1196103219 /nfs/dbraw/zinc/10/32/19/1196103219.db2.gz YKCZAISCXQZFJB-UHFFFAOYSA-N 0 3 377.485 0.854 20 0 GCADHN Cc1cccc2nc(CNC(=O)NCCCCN3CCN(CCO)CC3)cn21 ZINC000114597923 1196106171 /nfs/dbraw/zinc/10/61/71/1196106171.db2.gz DCNJTXPJGRXTFF-UHFFFAOYSA-N 0 3 388.516 0.832 20 0 GCADHN O=C(NCCCCN1CCN(c2ncccn2)CC1)NCCN1CC=CCC1 ZINC000474333688 1196110144 /nfs/dbraw/zinc/11/01/44/1196110144.db2.gz CVJNFYQDMJWDML-UHFFFAOYSA-N 0 3 387.532 0.940 20 0 GCADHN O=C(NCCN1C[C@H]2CCCCN2C1=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000895860655 1196114371 /nfs/dbraw/zinc/11/43/71/1196114371.db2.gz BHQMSWYKJFORFE-BRWVUGGUSA-N 0 3 379.505 0.517 20 0 GCADHN O=C(OCc1ccccc1)N1CC(NC[C@]23COCCN2C(=O)COC3)C1 ZINC000895836538 1196114633 /nfs/dbraw/zinc/11/46/33/1196114633.db2.gz CXAUKAPJLRCZLU-LJQANCHMSA-N 0 3 375.425 0.225 20 0 GCADHN CN(OCC(F)(F)F)C(=O)CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000895930958 1196118922 /nfs/dbraw/zinc/11/89/22/1196118922.db2.gz RQXDGWJBUKKWSJ-VXGBXAGGSA-N 0 3 382.383 0.179 20 0 GCADHN O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000896158198 1196129339 /nfs/dbraw/zinc/12/93/39/1196129339.db2.gz VIJZFVCZSQWZRS-IAGOWNOFSA-N 0 3 395.500 0.454 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)CC1 ZINC000896162118 1196130853 /nfs/dbraw/zinc/13/08/53/1196130853.db2.gz AQHNXWFONWWXFN-IRXDYDNUSA-N 0 3 397.516 0.700 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1COCCN1CC(F)F ZINC000474723170 1196146056 /nfs/dbraw/zinc/14/60/56/1196146056.db2.gz OEUQWYMCDIMFCO-KBPBESRZSA-N 0 3 376.448 0.011 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000474809519 1196151347 /nfs/dbraw/zinc/15/13/47/1196151347.db2.gz FCYKDTJWTVIPLX-UHFFFAOYSA-N 0 3 390.484 0.677 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[C@H]3[C@H]1CCCN3CCO)CCO2 ZINC000896537181 1196154412 /nfs/dbraw/zinc/15/44/12/1196154412.db2.gz KTUYEAJAVAQCQL-LXJOXGFSSA-N 0 3 395.500 0.728 20 0 GCADHN CCC1(CC)NC(=O)N(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000329003528 1196155681 /nfs/dbraw/zinc/15/56/81/1196155681.db2.gz WQNNGFXZWYNTIF-UHFFFAOYSA-N 0 3 393.488 0.068 20 0 GCADHN CCN1C[C@H](C)N(CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000329011470 1196156077 /nfs/dbraw/zinc/15/60/77/1196156077.db2.gz DTOIBNFCDZRORK-PMPSAXMXSA-N 0 3 397.545 0.904 20 0 GCADHN COc1cc2c(cc1OC)CN(CC(=O)N1CCO[C@H]3CCN(C)C[C@@H]31)CC2 ZINC000329027722 1196157319 /nfs/dbraw/zinc/15/73/19/1196157319.db2.gz OPICNMABKOYYLW-ROUUACIJSA-N 0 3 389.496 0.993 20 0 GCADHN Cn1c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc2ccccc2c1=O ZINC000329085548 1196162310 /nfs/dbraw/zinc/16/23/10/1196162310.db2.gz UKRXNVYOHFNNIQ-UHFFFAOYSA-N 0 3 382.464 0.919 20 0 GCADHN CS(=O)(=O)C1CCC(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000896562004 1196164684 /nfs/dbraw/zinc/16/46/84/1196164684.db2.gz RWXHVAAUHCNNON-SJJHQCBESA-N 0 3 387.546 0.830 20 0 GCADHN CN(C(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)[C@@H]1CCCN(C)C1 ZINC000896598198 1196180850 /nfs/dbraw/zinc/18/08/50/1196180850.db2.gz FHGBMOCGFOYIKJ-LLVKDONJSA-N 0 3 377.367 0.747 20 0 GCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000474866422 1196182295 /nfs/dbraw/zinc/18/22/95/1196182295.db2.gz CKCRITGKEOZAQK-UHFFFAOYSA-N 0 3 375.473 0.879 20 0 GCADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CN(C3CCOCC3)C1)CC2 ZINC000896674198 1196195060 /nfs/dbraw/zinc/19/50/60/1196195060.db2.gz XKLSLOOPIDFHKG-UHFFFAOYSA-N 0 3 393.509 0.985 20 0 GCADHN O=C(NC[C@H]1CCN1C1CCOCC1)N1CCC(CN2CCNC2=O)CC1 ZINC000896746550 1196202992 /nfs/dbraw/zinc/20/29/92/1196202992.db2.gz ARSWZIJRQDDRHG-QGZVFWFLSA-N 0 3 379.505 0.687 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H]2CCCn3ncnc32)CC1 ZINC000329565729 1196205582 /nfs/dbraw/zinc/20/55/82/1196205582.db2.gz SPRUOZFCTVUHHD-CQSZACIVSA-N 0 3 379.490 0.896 20 0 GCADHN NC1(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)Cc2ccccc2C1 ZINC000166980642 1196210845 /nfs/dbraw/zinc/21/08/45/1196210845.db2.gz MGJKGDXMJHXFSA-UHFFFAOYSA-N 0 3 392.503 0.943 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000665473462 1196214038 /nfs/dbraw/zinc/21/40/38/1196214038.db2.gz DEWMHQOSWVQMDY-UHFFFAOYSA-N 0 3 393.488 0.685 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(Cc4n[nH]c(C5CC5)n4)C[C@H]3C2)O1 ZINC001088012074 1196217168 /nfs/dbraw/zinc/21/71/68/1196217168.db2.gz RDYRUEKUEYKKOK-MXASKKJJSA-N 0 3 388.516 0.682 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426108822 1196217749 /nfs/dbraw/zinc/21/77/49/1196217749.db2.gz JIEBROTYOXPPBY-IJLUTSLNSA-N 0 3 378.395 0.099 20 0 GCADHN CCC(CC)(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)OC ZINC000443863576 1196221605 /nfs/dbraw/zinc/22/16/05/1196221605.db2.gz AQOGSIKFFFKCOX-UHFFFAOYSA-N 0 3 382.505 0.915 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000329709818 1196224791 /nfs/dbraw/zinc/22/47/91/1196224791.db2.gz NIKDXIGEZMMYNE-MRXNPFEDSA-N 0 3 387.546 0.400 20 0 GCADHN CO[C@H]1C[C@H](C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)N(C(C)=O)C1 ZINC000329890114 1196236325 /nfs/dbraw/zinc/23/63/25/1196236325.db2.gz FPZPMQGEZBTWHE-STEAMIEHSA-N 0 3 381.517 0.970 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cn(C)nc2[C@H]2CCOC2)CC1 ZINC000329888999 1196236553 /nfs/dbraw/zinc/23/65/53/1196236553.db2.gz ZPBTYOPAJGWKMH-HNNXBMFYSA-N 0 3 377.489 0.550 20 0 GCADHN O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]2C1 ZINC001088045987 1196242501 /nfs/dbraw/zinc/24/25/01/1196242501.db2.gz WIUZUKBVACPDDJ-AAEZLKGMSA-N 0 3 390.484 0.134 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]2C1 ZINC001088046950 1196243224 /nfs/dbraw/zinc/24/32/24/1196243224.db2.gz XMGHSGQSQBCCRM-IBZGSYRLSA-N 0 3 387.480 0.339 20 0 GCADHN C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330081893 1196251483 /nfs/dbraw/zinc/25/14/83/1196251483.db2.gz ALHCZWCGWDZZPS-GXTWGEPZSA-N 0 3 393.517 0.254 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330130308 1196255047 /nfs/dbraw/zinc/25/50/47/1196255047.db2.gz OWLHCWPALOBSCI-PMPSAXMXSA-N 0 3 379.505 0.387 20 0 GCADHN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330132746 1196255396 /nfs/dbraw/zinc/25/53/96/1196255396.db2.gz QQFBFPTWAVTVSH-IAGOWNOFSA-N 0 3 378.517 0.789 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000330151039 1196256361 /nfs/dbraw/zinc/25/63/61/1196256361.db2.gz NJLMXIMHYRITRU-QGZVFWFLSA-N 0 3 379.482 0.644 20 0 GCADHN CO[C@@H](C)c1noc(CCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000330156761 1196256468 /nfs/dbraw/zinc/25/64/68/1196256468.db2.gz PAJLCNPDGTYVRW-KBPBESRZSA-N 0 3 379.461 0.475 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)N1CCCS1(=O)=O ZINC000330181780 1196258486 /nfs/dbraw/zinc/25/84/86/1196258486.db2.gz OHRBCYJWBUVFHY-DOTOQJQBSA-N 0 3 387.546 0.758 20 0 GCADHN CCn1cc(-c2n[nH]cc2C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000330259924 1196262205 /nfs/dbraw/zinc/26/22/05/1196262205.db2.gz SJMDDPYHUBAPJV-INIZCTEOSA-N 0 3 385.472 0.672 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000280883131 1196263880 /nfs/dbraw/zinc/26/38/80/1196263880.db2.gz BEXZWZYIFBOLMO-PBHICJAKSA-N 0 3 381.498 0.466 20 0 GCADHN CC1=C(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)S(=O)(=O)CCO1 ZINC000280901058 1196265137 /nfs/dbraw/zinc/26/51/37/1196265137.db2.gz HODKHTYBDKGRNV-UHFFFAOYSA-N 0 3 395.437 0.771 20 0 GCADHN C[C@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1=CCN(C)CC1 ZINC000281074110 1196275770 /nfs/dbraw/zinc/27/57/70/1196275770.db2.gz DNXQXQAIOZAORN-SCLBCKFNSA-N 0 3 378.473 0.369 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)CC1 ZINC000281108635 1196277701 /nfs/dbraw/zinc/27/77/01/1196277701.db2.gz CEEHIWWXKOJVKA-CQSZACIVSA-N 0 3 390.488 0.954 20 0 GCADHN C[C@H]1C[NH+](CCC2CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3N)CC2)C[C@H](C)O1 ZINC000330311932 1196278504 /nfs/dbraw/zinc/27/85/04/1196278504.db2.gz OBEUZIBRAIWOFF-RYUDHWBXSA-N 0 3 379.461 0.822 20 0 GCADHN Cc1nnc(SCC(=O)N2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)s1 ZINC001271224091 1196278514 /nfs/dbraw/zinc/27/85/14/1196278514.db2.gz FPYIFVSJWMUPOS-MRXNPFEDSA-N 0 3 399.542 0.330 20 0 GCADHN C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3N)CC2)C[C@H](C)O1 ZINC000330311933 1196278737 /nfs/dbraw/zinc/27/87/37/1196278737.db2.gz OBEUZIBRAIWOFF-TXEJJXNPSA-N 0 3 379.461 0.822 20 0 GCADHN C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3N)CC2)C[C@H](C)O1 ZINC000330311933 1196278740 /nfs/dbraw/zinc/27/87/40/1196278740.db2.gz OBEUZIBRAIWOFF-TXEJJXNPSA-N 0 3 379.461 0.822 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)C1 ZINC000281283385 1196286606 /nfs/dbraw/zinc/28/66/06/1196286606.db2.gz QILRULIOCMDOEE-HNNXBMFYSA-N 0 3 383.514 0.761 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000281432585 1196295718 /nfs/dbraw/zinc/29/57/18/1196295718.db2.gz DDVLQUJNGKSIBB-SJORKVTESA-N 0 3 395.525 0.998 20 0 GCADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281516761 1196301155 /nfs/dbraw/zinc/30/11/55/1196301155.db2.gz VGXLAWKQBUDLCD-QTVXIADOSA-N 0 3 392.500 0.499 20 0 GCADHN CC1=C(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)n2ncnc2N1C ZINC000281543428 1196303626 /nfs/dbraw/zinc/30/36/26/1196303626.db2.gz IUJLGYIOQSCGFG-HUUCEWRRSA-N 0 3 389.504 0.622 20 0 GCADHN CN(C)[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)Cc1ccccc1 ZINC000665535422 1196306878 /nfs/dbraw/zinc/30/68/78/1196306878.db2.gz SPUQXTQGQMQLAG-INIZCTEOSA-N 0 3 390.509 0.836 20 0 GCADHN CN1CCN(CCNC(=O)NCCS(=O)(=O)c2ccccc2)CC1(C)C ZINC000281563948 1196307938 /nfs/dbraw/zinc/30/79/38/1196307938.db2.gz AANDRHDDDCFKEF-UHFFFAOYSA-N 0 3 382.530 0.786 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](CO)CCOC)c(C)c2)CC1 ZINC000281552213 1196308513 /nfs/dbraw/zinc/30/85/13/1196308513.db2.gz OGDQWMQHFWIJJJ-INIZCTEOSA-N 0 3 392.500 0.589 20 0 GCADHN CC(C)N1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)C1 ZINC000281582469 1196310559 /nfs/dbraw/zinc/31/05/59/1196310559.db2.gz MZFTZKHONCCJJR-INIZCTEOSA-N 0 3 383.514 0.902 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 ZINC000522789899 1196323403 /nfs/dbraw/zinc/32/34/03/1196323403.db2.gz DPDVDTLNUCRUIK-CQSZACIVSA-N 0 3 392.456 0.488 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1(C)C ZINC000281767536 1196331558 /nfs/dbraw/zinc/33/15/58/1196331558.db2.gz AWRJOQBUKODDGK-UHFFFAOYSA-N 0 3 385.472 0.348 20 0 GCADHN CN1CCN(CCNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1(C)C ZINC000281790804 1196334445 /nfs/dbraw/zinc/33/44/45/1196334445.db2.gz OAJCURHURHEGPF-UHFFFAOYSA-N 0 3 393.513 0.494 20 0 GCADHN COC(=O)Cc1cccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281850251 1196340756 /nfs/dbraw/zinc/34/07/56/1196340756.db2.gz GCFUGRRZIKZCLX-UHFFFAOYSA-N 0 3 390.484 0.483 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281869819 1196343317 /nfs/dbraw/zinc/34/33/17/1196343317.db2.gz HESFSGKTNHWCIE-UHFFFAOYSA-N 0 3 376.457 0.554 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)C1(C)C ZINC000444117825 1196345505 /nfs/dbraw/zinc/34/55/05/1196345505.db2.gz UIMDLBKSKOKTAA-OXQOHEQNSA-N 0 3 391.516 0.921 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1(C)C ZINC000444126692 1196347618 /nfs/dbraw/zinc/34/76/18/1196347618.db2.gz JGMLIKONAYFRKN-VOBQZIQPSA-N 0 3 388.468 0.890 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)CN1CCN(C)CC1 ZINC000522828914 1196348912 /nfs/dbraw/zinc/34/89/12/1196348912.db2.gz CBEYNGBAYJJMCY-MRXNPFEDSA-N 0 3 399.499 0.265 20 0 GCADHN CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000522833279 1196349443 /nfs/dbraw/zinc/34/94/43/1196349443.db2.gz UGJYRTRRCUCEJS-OAHLLOKOSA-N 0 3 389.500 0.375 20 0 GCADHN CCOC(=O)c1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cn1C ZINC000281944797 1196350546 /nfs/dbraw/zinc/35/05/46/1196350546.db2.gz KSEPIHJFYZHTJM-UHFFFAOYSA-N 0 3 393.488 0.283 20 0 GCADHN CN1CCN(CCNC(=O)NC[C@@H](O)COc2ccc(F)cc2)CC1(C)C ZINC000281951482 1196351500 /nfs/dbraw/zinc/35/15/00/1196351500.db2.gz MAHRSSOMTCAFEL-MRXNPFEDSA-N 0 3 382.480 0.891 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)C1(C)C ZINC000444167406 1196354796 /nfs/dbraw/zinc/35/47/96/1196354796.db2.gz MTCJYOYBJSQOKK-HNAYVOBHSA-N 0 3 392.504 0.128 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)C1(C)C ZINC000444167897 1196355183 /nfs/dbraw/zinc/35/51/83/1196355183.db2.gz MSTAOLHGFMJZLL-QINHECLXSA-N 0 3 398.548 0.204 20 0 GCADHN CCOC(=O)Cn1cccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)c1=O ZINC000281970343 1196355355 /nfs/dbraw/zinc/35/53/55/1196355355.db2.gz WHHRPEUTNCGEDG-UHFFFAOYSA-N 0 3 393.488 0.559 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1(C)C ZINC000444174620 1196357054 /nfs/dbraw/zinc/35/70/54/1196357054.db2.gz GOKBLHVXJVCKEF-QAPCUYQASA-N 0 3 396.513 0.447 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1(C)C ZINC000444175074 1196357204 /nfs/dbraw/zinc/35/72/04/1196357204.db2.gz YXRRFDKATVDATP-LAUBAEHRSA-N 0 3 394.560 0.922 20 0 GCADHN COc1ccc(S(=O)(=O)NCCN(C)C(C)C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000444175973 1196357715 /nfs/dbraw/zinc/35/77/15/1196357715.db2.gz MUVTWWCKRWHHJL-QGZVFWFLSA-N 0 3 398.485 0.368 20 0 GCADHN CS(=O)(=O)N1CCC(NC(=O)CN2CCN(C3CCCCC3)CC2)CC1 ZINC000639518631 1196357945 /nfs/dbraw/zinc/35/79/45/1196357945.db2.gz LEUNJKPIBUEJSN-UHFFFAOYSA-N 0 3 386.562 0.477 20 0 GCADHN COCCS(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000522884373 1196358510 /nfs/dbraw/zinc/35/85/10/1196358510.db2.gz WEKDBFBIUGKCQM-UHFFFAOYSA-N 0 3 397.541 0.864 20 0 GCADHN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCN(CC2CCOCC2)CC1 ZINC000522887746 1196359124 /nfs/dbraw/zinc/35/91/24/1196359124.db2.gz JDTLBLSXPUPATN-CALCHBBNSA-N 0 3 377.485 0.732 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCN(CCN4C(=O)NC(C)(C)C4=O)C[C@H]3C2)O1 ZINC001088114631 1196365974 /nfs/dbraw/zinc/36/59/74/1196365974.db2.gz XVMQDXIDQIKTKW-LVQVYYBASA-N 0 3 392.500 0.665 20 0 GCADHN COCc1ccc(CNC(=O)CN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000103150452 1196374097 /nfs/dbraw/zinc/37/40/97/1196374097.db2.gz GXPZZGDUCMMLOZ-UHFFFAOYSA-N 0 3 388.512 0.689 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000042871966 1196376906 /nfs/dbraw/zinc/37/69/06/1196376906.db2.gz YLDDQSWUXGLFHF-GOSISDBHSA-N 0 3 394.541 0.810 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000523003956 1196382467 /nfs/dbraw/zinc/38/24/67/1196382467.db2.gz NFVDJEQMLPYTSD-IRXDYDNUSA-N 0 3 395.548 0.972 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000523003957 1196382715 /nfs/dbraw/zinc/38/27/15/1196382715.db2.gz NFVDJEQMLPYTSD-SJORKVTESA-N 0 3 395.548 0.972 20 0 GCADHN O=C([C@@H]1OCC[C@@H]1Cn1cccn1)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112177866 1196385693 /nfs/dbraw/zinc/38/56/93/1196385693.db2.gz FUKOTBOTUDDZGS-KBUPBQIOSA-N 0 3 390.406 0.650 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)Cc2nc[nH]c2C)CCN1C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000985220901 1196391318 /nfs/dbraw/zinc/39/13/18/1196391318.db2.gz JBCWTJZLGPCIDD-ORIJERBGSA-N 0 3 375.473 0.481 20 0 GCADHN COc1nn(C)cc1NC(=O)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000475293634 1196400907 /nfs/dbraw/zinc/40/09/07/1196400907.db2.gz ADOICDWQIYBDOS-ZIAGYGMSSA-N 0 3 393.488 0.715 20 0 GCADHN c1ccc(N2CCN(C[C@H]3CCCN(c4ccc5nnnn5n4)C3)CC2)nc1 ZINC000301075622 1196421059 /nfs/dbraw/zinc/42/10/59/1196421059.db2.gz CWIFIMDIRVMEDB-MRXNPFEDSA-N 0 3 379.472 0.953 20 0 GCADHN CN1CCN(S(=O)(=O)c2ccc(N3CC[C@@H](N4CC=CC4)C3)nc2)CC1 ZINC000301472949 1196428544 /nfs/dbraw/zinc/42/85/44/1196428544.db2.gz USLNYBUXAACXOL-MRXNPFEDSA-N 0 3 377.514 0.468 20 0 GCADHN CCN1CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000665669259 1196431658 /nfs/dbraw/zinc/43/16/58/1196431658.db2.gz TWTKGXSMQSYOOY-KBPBESRZSA-N 0 3 397.497 0.725 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)c(C)c1 ZINC000523045639 1196434007 /nfs/dbraw/zinc/43/40/07/1196434007.db2.gz WIHCEHCKUYMWMZ-UHFFFAOYSA-N 0 3 376.501 0.748 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O ZINC000760114840 1196459673 /nfs/dbraw/zinc/45/96/73/1196459673.db2.gz PFRBWUFFSAZZNV-GFCCVEGCSA-N 0 3 385.461 0.909 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000648106920 1196479505 /nfs/dbraw/zinc/47/95/05/1196479505.db2.gz HYHCGISOQJGJJV-ZWNOBZJWSA-N 0 3 393.469 0.808 20 0 GCADHN C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000111221283 1196491180 /nfs/dbraw/zinc/49/11/80/1196491180.db2.gz UXXOKMXJIKCRJJ-KBPBESRZSA-N 0 3 378.498 0.618 20 0 GCADHN CC1CCC(N2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000115567922 1196496740 /nfs/dbraw/zinc/49/67/40/1196496740.db2.gz BJIJYAIIDAJHLX-UHFFFAOYSA-N 0 3 377.489 0.045 20 0 GCADHN CCC[C@H](C)N1C[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1=O ZINC000487503586 1196499739 /nfs/dbraw/zinc/49/97/39/1196499739.db2.gz RKLMJLHKKOKNSX-IRXDYDNUSA-N 0 3 378.517 0.790 20 0 GCADHN Cn1c2c(ccn2CC(=O)NCCN2CCCC(C)(C)C2)c(=O)n(C)c1=O ZINC000444608089 1196507978 /nfs/dbraw/zinc/50/79/78/1196507978.db2.gz JFZQHFJGRYZJLI-UHFFFAOYSA-N 0 3 375.473 0.277 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCN1CCO[C@H](C)C1 ZINC000523247431 1196509428 /nfs/dbraw/zinc/50/94/28/1196509428.db2.gz IDPPGNYUFGHHCB-CQSZACIVSA-N 0 3 378.473 0.532 20 0 GCADHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000444675059 1196514219 /nfs/dbraw/zinc/51/42/19/1196514219.db2.gz QOJWVFBGAOHIOD-RDJZCZTQSA-N 0 3 390.484 0.641 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000523385510 1196521169 /nfs/dbraw/zinc/52/11/69/1196521169.db2.gz OZEXUWXEOHHDGE-LLVKDONJSA-N 0 3 376.383 0.927 20 0 GCADHN CCO[C@@H]1C[C@@](CO)(NCC(=O)N2CCN(C(=O)c3ccco3)CC2)C1(C)C ZINC000444803109 1196522152 /nfs/dbraw/zinc/52/21/52/1196522152.db2.gz NHIKXFCVTSVWCP-UZLBHIALSA-N 0 3 393.484 0.720 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)NCCCN1CCC[C@@H]1C(N)=O)N(C)C ZINC000523452324 1196524723 /nfs/dbraw/zinc/52/47/23/1196524723.db2.gz JPHDCPUBTVUXCA-SJORKVTESA-N 0 3 391.516 0.937 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000523581638 1196535509 /nfs/dbraw/zinc/53/55/09/1196535509.db2.gz ZERMWIFFZUJHRB-SFHVURJKSA-N 0 3 375.469 0.989 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)CCc2ccc3c(c2)CCO3)C1 ZINC000445057684 1196539147 /nfs/dbraw/zinc/53/91/47/1196539147.db2.gz IGASFXGOJQKBOY-KRWDZBQOSA-N 0 3 395.525 0.671 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cnn(C)c2C(F)(F)F)CC1 ZINC000445030536 1196539404 /nfs/dbraw/zinc/53/94/04/1196539404.db2.gz ITVUIWCXGITTDD-NSHDSACASA-N 0 3 390.410 0.520 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2c(C)csc2C(=O)OC)CC1 ZINC000445033114 1196539586 /nfs/dbraw/zinc/53/95/86/1196539586.db2.gz NPDNKWDCIVHHOO-CYBMUJFWSA-N 0 3 396.513 0.924 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CC1 ZINC000445043924 1196540636 /nfs/dbraw/zinc/54/06/36/1196540636.db2.gz XFLRCBPMOLIXAP-UHFFFAOYSA-N 0 3 376.457 0.156 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(C(=O)OC)c(F)c2)CC1 ZINC000445066780 1196543604 /nfs/dbraw/zinc/54/36/04/1196543604.db2.gz QZVKQSBHBNEXIQ-CYBMUJFWSA-N 0 3 387.477 0.917 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 ZINC000445110782 1196549989 /nfs/dbraw/zinc/54/99/89/1196549989.db2.gz MDXVWJTYHFJWCE-UHFFFAOYSA-N 0 3 389.500 0.357 20 0 GCADHN Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000367193989 1196559717 /nfs/dbraw/zinc/55/97/17/1196559717.db2.gz IPLUTXCUUACCRS-MSOLQXFVSA-N 0 3 384.546 0.576 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC000523914647 1196567140 /nfs/dbraw/zinc/56/71/40/1196567140.db2.gz JZGVLPZWJMYFHS-KURKYZTESA-N 0 3 397.564 0.728 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC(C)(C)N1CCOCC1 ZINC000523919139 1196568358 /nfs/dbraw/zinc/56/83/58/1196568358.db2.gz ADUZATVPANXFKX-INIZCTEOSA-N 0 3 383.537 0.339 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cn1 ZINC000524033128 1196573421 /nfs/dbraw/zinc/57/34/21/1196573421.db2.gz FTARTJSEVSFZFD-OAHLLOKOSA-N 0 3 393.488 0.045 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)cc1OC ZINC000524092770 1196575168 /nfs/dbraw/zinc/57/51/68/1196575168.db2.gz AGFDUYOBIJSWMV-UHFFFAOYSA-N 0 3 378.473 0.786 20 0 GCADHN COCCc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000524121469 1196577521 /nfs/dbraw/zinc/57/75/21/1196577521.db2.gz YUAAHWXSOUKCIW-INIZCTEOSA-N 0 3 383.514 0.741 20 0 GCADHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000445768569 1196588987 /nfs/dbraw/zinc/58/89/87/1196588987.db2.gz WTSFWLNUSWZBFB-ZACQAIPSSA-N 0 3 399.557 0.969 20 0 GCADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000524392778 1196591895 /nfs/dbraw/zinc/59/18/95/1196591895.db2.gz DSKPLFKHZVSVJX-OAHLLOKOSA-N 0 3 395.529 0.521 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000524419100 1196593593 /nfs/dbraw/zinc/59/35/93/1196593593.db2.gz VYZLEITUDQIDRU-INIZCTEOSA-N 0 3 396.513 0.731 20 0 GCADHN COC(=O)COc1ccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000524420186 1196594551 /nfs/dbraw/zinc/59/45/51/1196594551.db2.gz VDHCOWHERHYWLV-KRWDZBQOSA-N 0 3 391.468 0.911 20 0 GCADHN CC(C)[C@H](CC(F)(F)F)NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000445892925 1196597919 /nfs/dbraw/zinc/59/79/19/1196597919.db2.gz GHLLFQVEXCDEQE-KBPBESRZSA-N 0 3 399.479 0.884 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000445931665 1196601031 /nfs/dbraw/zinc/60/10/31/1196601031.db2.gz FTMDTBNTJBPNCP-UHFFFAOYSA-N 0 3 384.864 0.766 20 0 GCADHN CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000508550121 1196602492 /nfs/dbraw/zinc/60/24/92/1196602492.db2.gz RVRACJKTSDZXAV-IBGZPJMESA-N 0 3 390.528 0.850 20 0 GCADHN CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000508550122 1196602597 /nfs/dbraw/zinc/60/25/97/1196602597.db2.gz RVRACJKTSDZXAV-LJQANCHMSA-N 0 3 390.528 0.850 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000446062799 1196609868 /nfs/dbraw/zinc/60/98/68/1196609868.db2.gz OXNOBZSKZPWRBB-GJZGRUSLSA-N 0 3 393.513 0.724 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000524703929 1196616374 /nfs/dbraw/zinc/61/63/74/1196616374.db2.gz VIXNJTNNSCUUAU-IBGZPJMESA-N 0 3 380.489 0.962 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000446195457 1196621181 /nfs/dbraw/zinc/62/11/81/1196621181.db2.gz IXZYUOQAUINISF-ZFCANOHDSA-N 0 3 379.501 0.616 20 0 GCADHN CN(C)[C@@H](CNC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000524771510 1196623492 /nfs/dbraw/zinc/62/34/92/1196623492.db2.gz HAHNKYIVJRQVDL-INIZCTEOSA-N 0 3 383.452 0.458 20 0 GCADHN CCN(CC)C(=O)CN1CCCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446257591 1196629438 /nfs/dbraw/zinc/62/94/38/1196629438.db2.gz GQAUXUIMVQCHFZ-PLMTUMEDSA-N 0 3 394.560 0.922 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446273775 1196629658 /nfs/dbraw/zinc/62/96/58/1196629658.db2.gz CLKNCGDPEVWYNK-RIFZZMRRSA-N 0 3 380.533 0.626 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000524816445 1196629684 /nfs/dbraw/zinc/62/96/84/1196629684.db2.gz PECXAYTUSYKPST-ZNMIVQPWSA-N 0 3 390.550 0.009 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446275122 1196629803 /nfs/dbraw/zinc/62/98/03/1196629803.db2.gz JRELYODKWZANTO-BCEDRHLLSA-N 0 3 378.517 0.330 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000446270432 1196629884 /nfs/dbraw/zinc/62/98/84/1196629884.db2.gz SHKBPNQZQXKSKX-MDOVXXIYSA-N 0 3 387.484 0.362 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000446279934 1196630296 /nfs/dbraw/zinc/63/02/96/1196630296.db2.gz GCZGTBKEFNPCLX-YRISNDGFSA-N 0 3 392.544 0.676 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000446287174 1196630968 /nfs/dbraw/zinc/63/09/68/1196630968.db2.gz HJXUEILAMLZTGS-RKVPGOIHSA-N 0 3 385.530 0.592 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000446291055 1196632116 /nfs/dbraw/zinc/63/21/16/1196632116.db2.gz GJDPFDVPVCLIIQ-SFUIVIKGSA-N 0 3 383.558 0.843 20 0 GCADHN Cc1cc(N2CCN(C(=O)[C@]3(N)[C@H]4CCCO[C@@H]4C3(C)C)CC2)n2ncnc2n1 ZINC000446366939 1196638375 /nfs/dbraw/zinc/63/83/75/1196638375.db2.gz PEHOCPMOFVQWPR-DKICVRJWSA-N 0 3 399.499 0.614 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446377840 1196638813 /nfs/dbraw/zinc/63/88/13/1196638813.db2.gz WFLOXTPMDMAMKI-RVKKMQEKSA-N 0 3 387.546 0.839 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446377838 1196639262 /nfs/dbraw/zinc/63/92/62/1196639262.db2.gz WFLOXTPMDMAMKI-IIDMSEBBSA-N 0 3 387.546 0.839 20 0 GCADHN CN(C)c1nccc(N2CCN(C(=O)[C@]3(N)[C@H]4CCCO[C@H]4C3(C)C)CC2)n1 ZINC000446372893 1196640044 /nfs/dbraw/zinc/64/00/44/1196640044.db2.gz YGIHRRUKTLVRFW-YYFZDKIDSA-N 0 3 388.516 0.724 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000446375720 1196640138 /nfs/dbraw/zinc/64/01/38/1196640138.db2.gz AKJXXOLEMJKSBI-ZBQZNYHESA-N 0 3 377.489 0.420 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446371910 1196640254 /nfs/dbraw/zinc/64/02/54/1196640254.db2.gz HHJLRQUUVQGPEX-GPMSIDNRSA-N 0 3 377.489 0.686 20 0 GCADHN COc1cccc(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000446602374 1196653027 /nfs/dbraw/zinc/65/30/27/1196653027.db2.gz ARGXAZVFCOGERH-HNNXBMFYSA-N 0 3 388.468 0.707 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)C(=O)N3CCOCC3)CC2)c1 ZINC000525177529 1196654171 /nfs/dbraw/zinc/65/41/71/1196654171.db2.gz VKCBHCWFWNAASU-SFHVURJKSA-N 0 3 388.512 0.871 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000525184359 1196654694 /nfs/dbraw/zinc/65/46/94/1196654694.db2.gz ZZSGBSWEFOKLJP-CQSZACIVSA-N 0 3 396.513 0.569 20 0 GCADHN C[C@](O)(CNCc1ccccc1OCC(=O)N1CCCC1)CN1CCOCC1 ZINC000525181386 1196654724 /nfs/dbraw/zinc/65/47/24/1196654724.db2.gz FGLRKZZQIONZOZ-NRFANRHFSA-N 0 3 391.512 0.861 20 0 GCADHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)NCCN2CCCOCC2)CC1 ZINC000446683972 1196658407 /nfs/dbraw/zinc/65/84/07/1196658407.db2.gz VEDKOZBFRNFGJY-UHFFFAOYSA-N 0 3 397.564 0.635 20 0 GCADHN COC(=O)[C@@]1(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)CCOC1 ZINC000446728371 1196662274 /nfs/dbraw/zinc/66/22/74/1196662274.db2.gz NORXLPWSOBCFHM-HXUWFJFHSA-N 0 3 375.469 0.955 20 0 GCADHN CCOC(=O)C1(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)Cc2ccccc2C1 ZINC000525334970 1196670842 /nfs/dbraw/zinc/67/08/42/1196670842.db2.gz MJVFBMQHIYJTFX-KRWDZBQOSA-N 0 3 387.480 0.613 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000525320393 1196672043 /nfs/dbraw/zinc/67/20/43/1196672043.db2.gz YKRLWTBUMJQGMY-SFHVURJKSA-N 0 3 390.484 0.547 20 0 GCADHN COc1cccc([C@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)N2CCCC2)c1 ZINC000525382211 1196676605 /nfs/dbraw/zinc/67/66/05/1196676605.db2.gz MOWQQOFTBUIBLF-IRXDYDNUSA-N 0 3 376.457 0.328 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000193288591 1196677192 /nfs/dbraw/zinc/67/71/92/1196677192.db2.gz MQXBUPTZLJDQPK-GOSISDBHSA-N 0 3 389.544 0.954 20 0 GCADHN C[C@@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000525426696 1196680514 /nfs/dbraw/zinc/68/05/14/1196680514.db2.gz ZFMKFBITTWHVLN-CHWSQXEVSA-N 0 3 392.456 0.618 20 0 GCADHN CCN(CC)C(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2C1 ZINC001271866936 1196682713 /nfs/dbraw/zinc/68/27/13/1196682713.db2.gz KFVJHZPTSYTQQH-CNMWIUBYSA-N 0 3 379.501 0.297 20 0 GCADHN CC(C)[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NCC(=O)Nc1cnccn1 ZINC001271869886 1196683452 /nfs/dbraw/zinc/68/34/52/1196683452.db2.gz SGYSZYDTFOOLPI-OIPACUDHSA-N 0 3 375.473 0.961 20 0 GCADHN COc1ccc(CN(C(=O)CNC[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000429696816 1196693078 /nfs/dbraw/zinc/69/30/78/1196693078.db2.gz JYFMEYYPSWMFIB-FUHWJXTLSA-N 0 3 396.509 0.980 20 0 GCADHN COc1ccc(CN(C(=O)CNC[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000429696823 1196693165 /nfs/dbraw/zinc/69/31/65/1196693165.db2.gz JYFMEYYPSWMFIB-WMZOPIPTSA-N 0 3 396.509 0.980 20 0 GCADHN CC[C@@H]1CN(Cc2nnnn2CCOCC(F)(F)F)CCN1C[C@@H](C)O ZINC000447341070 1196712505 /nfs/dbraw/zinc/71/25/05/1196712505.db2.gz CXZZZABOOMTATB-CHWSQXEVSA-N 0 3 380.415 0.529 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NCCCCN2CCN(C)CC2)c(OC)c1 ZINC000525953014 1196729091 /nfs/dbraw/zinc/72/90/91/1196729091.db2.gz HPYDSXJOVBHNKJ-UHFFFAOYSA-N 0 3 399.513 0.788 20 0 GCADHN O=C(CN1CCc2ccccc2C1=O)NCCCCN1CCN(CCO)CC1 ZINC000447558094 1196731399 /nfs/dbraw/zinc/73/13/99/1196731399.db2.gz MRBIAFPLUHOWFD-UHFFFAOYSA-N 0 3 388.512 0.191 20 0 GCADHN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)NC(=O)NCc1ccccc1 ZINC000429718471 1196736066 /nfs/dbraw/zinc/73/60/66/1196736066.db2.gz NDKRZBPZAXLAMH-NUEKZKHPSA-N 0 3 396.513 0.851 20 0 GCADHN Cc1cc(O)cc(=O)n1CCC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000526115357 1196742114 /nfs/dbraw/zinc/74/21/14/1196742114.db2.gz PSFSICQBAGDKKK-QGZVFWFLSA-N 0 3 376.501 0.879 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2c1ccn2C ZINC000526138208 1196743104 /nfs/dbraw/zinc/74/31/04/1196743104.db2.gz BKBUPCOAJYMULQ-UHFFFAOYSA-N 0 3 376.457 0.516 20 0 GCADHN CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000526616262 1196746716 /nfs/dbraw/zinc/74/67/16/1196746716.db2.gz RCFLWKPVWLADAR-GOSISDBHSA-N 0 3 381.429 0.126 20 0 GCADHN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN[C@H](CO)[C@@H]3CCCO3)CC2)C1 ZINC000447905984 1196756399 /nfs/dbraw/zinc/75/63/99/1196756399.db2.gz NRPBPBLUMDXWPT-NXHRZFHOSA-N 0 3 381.517 0.613 20 0 GCADHN O=C(CN[C@H](CO)[C@H]1CCCO1)NCc1ccccc1CN1CCOCC1 ZINC000447908912 1196756905 /nfs/dbraw/zinc/75/69/05/1196756905.db2.gz AVTRATORSYEKFH-RTBURBONSA-N 0 3 377.485 0.265 20 0 GCADHN C[C@H](NC1CCN(CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)c1nnnn1C ZINC001271926006 1196759223 /nfs/dbraw/zinc/75/92/23/1196759223.db2.gz XJBYRAAELHENGB-XZDPQHSOSA-N 0 3 377.493 0.009 20 0 GCADHN COc1cc(CN[C@H](CO)[C@H]2CCCO2)ccc1OCC(=O)N1CCOCC1 ZINC000447972247 1196762471 /nfs/dbraw/zinc/76/24/71/1196762471.db2.gz PNMIFNBWIPAFBR-IAGOWNOFSA-N 0 3 394.468 0.562 20 0 GCADHN COCCNC(=O)Cn1cc(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)cn1 ZINC000448000041 1196765377 /nfs/dbraw/zinc/76/53/77/1196765377.db2.gz OHBGBKBHAAYRAO-HNNXBMFYSA-N 0 3 380.493 0.888 20 0 GCADHN CCN1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000527230557 1196775182 /nfs/dbraw/zinc/77/51/82/1196775182.db2.gz PQOBYDUPMSNPDJ-IAGOWNOFSA-N 0 3 377.537 0.824 20 0 GCADHN C[C@@H]1OCC[C@]12CN(C(=O)NCCCCN1CCN(CCO)CC1)C[C@@H](C)O2 ZINC000448147916 1196777895 /nfs/dbraw/zinc/77/78/95/1196777895.db2.gz ONXQJXUUDXYDNT-HBFSDRIKSA-N 0 3 398.548 0.354 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000527289183 1196777937 /nfs/dbraw/zinc/77/79/37/1196777937.db2.gz LSNBDDGHWACZIK-QFBILLFUSA-N 0 3 396.438 0.822 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cc(NC(C)=O)ccc2OC)CC1 ZINC000527291918 1196778298 /nfs/dbraw/zinc/77/82/98/1196778298.db2.gz JFBIXJFMWBXSMB-CQSZACIVSA-N 0 3 398.529 0.958 20 0 GCADHN CCOC(=O)C1CCN(S(=O)(=O)NC[C@@H](C)N2CCN(CC)CC2)CC1 ZINC000527385968 1196783143 /nfs/dbraw/zinc/78/31/43/1196783143.db2.gz XFZARRLJKDDOCM-OAHLLOKOSA-N 0 3 390.550 0.122 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000527438868 1196787405 /nfs/dbraw/zinc/78/74/05/1196787405.db2.gz NGTKGPAHQNCPIH-UHFFFAOYSA-N 0 3 394.497 0.618 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C[C@H](C)O1 ZINC000527495456 1196791258 /nfs/dbraw/zinc/79/12/58/1196791258.db2.gz IVICDSSVHMJSFB-ZFWWWQNUSA-N 0 3 379.457 0.958 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1S(N)(=O)=O ZINC000448321973 1196792407 /nfs/dbraw/zinc/79/24/07/1196792407.db2.gz PCVKVIACAPHFIE-OAHLLOKOSA-N 0 3 396.513 0.818 20 0 GCADHN CN(C)C(=O)c1cc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)ccn1 ZINC000448328782 1196792654 /nfs/dbraw/zinc/79/26/54/1196792654.db2.gz RVAQZZREFYZJKZ-OAHLLOKOSA-N 0 3 375.473 0.959 20 0 GCADHN CC(C)(C)[C@H](N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000262609488 1196800857 /nfs/dbraw/zinc/80/08/57/1196800857.db2.gz CLZKXSJWSXJEPK-MRXNPFEDSA-N 0 3 383.514 0.838 20 0 GCADHN CN(C)[C@H](CNC(=O)NCCNS(=O)(=O)c1cccnc1)c1ccccc1 ZINC000448461311 1196803285 /nfs/dbraw/zinc/80/32/85/1196803285.db2.gz KJAZEEKZXMTJLC-QGZVFWFLSA-N 0 3 391.497 0.962 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448467421 1196803895 /nfs/dbraw/zinc/80/38/95/1196803895.db2.gz QMCZDYQUBPAHCO-HNNXBMFYSA-N 0 3 399.517 0.112 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(Cn3ccnn3)cc2)CC1 ZINC000528359114 1196852211 /nfs/dbraw/zinc/85/22/11/1196852211.db2.gz ZNESESBCZARFBV-GOSISDBHSA-N 0 3 382.468 0.881 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc(Cn3ccnn3)cc2)CC1 ZINC000528415169 1196857612 /nfs/dbraw/zinc/85/76/12/1196857612.db2.gz RNVVCUMQLLWVSC-UHFFFAOYSA-N 0 3 382.468 0.707 20 0 GCADHN O=S(=O)(c1ccccc1CNC[C@@H]1CCCCN1CCO)N1CCOCC1 ZINC000449391869 1196870286 /nfs/dbraw/zinc/87/02/86/1196870286.db2.gz ISBUNWGAEKSQSF-SFHVURJKSA-N 0 3 397.541 0.644 20 0 GCADHN NC(=O)CNC(=O)c1ccc(CNC(=O)Nc2ccc3c(c2)OCCNC3)cc1 ZINC000528712055 1196881025 /nfs/dbraw/zinc/88/10/25/1196881025.db2.gz AWRJCVCWXLTWOB-UHFFFAOYSA-N 0 3 397.435 0.705 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(CCC(=O)N2CCc3sccc3C2)CC1 ZINC000528731320 1196882889 /nfs/dbraw/zinc/88/28/89/1196882889.db2.gz VODKELGSUYILHM-UHFFFAOYSA-N 0 3 392.525 0.693 20 0 GCADHN COc1ccc(NC(=O)CCN2CCCN(C(=O)CNC(C)=O)CC2)cc1 ZINC000528734506 1196883709 /nfs/dbraw/zinc/88/37/09/1196883709.db2.gz MOTRMKCQGLVCGA-UHFFFAOYSA-N 0 3 376.457 0.694 20 0 GCADHN CCN1C[C@H](NCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CC1=O ZINC000449518051 1196885199 /nfs/dbraw/zinc/88/51/99/1196885199.db2.gz MJYFQZCOXIKHOH-MRXNPFEDSA-N 0 3 391.468 0.643 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000528740022 1196885936 /nfs/dbraw/zinc/88/59/36/1196885936.db2.gz YONOEHHMIJAPLA-UHFFFAOYSA-N 0 3 386.496 0.632 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CCSC1 ZINC000671071942 1196891612 /nfs/dbraw/zinc/89/16/12/1196891612.db2.gz WLVITBLRYLZSGD-LPHOPBHVSA-N 0 3 376.526 0.843 20 0 GCADHN COc1cc(CN2CC[C@@H](NC(=O)NC[C@H]3COCCN3)C2)cc(OC)c1 ZINC000529318631 1196914465 /nfs/dbraw/zinc/91/44/65/1196914465.db2.gz XQTDIGSLQJPIND-CVEARBPZSA-N 0 3 378.473 0.566 20 0 GCADHN C[C@H](NC(=O)NC[C@@H]1COCCN1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000529304277 1196915062 /nfs/dbraw/zinc/91/50/62/1196915062.db2.gz PIRZVJCPVVGBPR-GOEBONIOSA-N 0 3 379.480 0.926 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCc3cccc4c3OC(F)(F)O4)CCN2C1=O ZINC000529352216 1196916664 /nfs/dbraw/zinc/91/66/64/1196916664.db2.gz VYTUBGORIISHGG-NWDGAFQWSA-N 0 3 382.367 0.504 20 0 GCADHN CN(C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCN2C(N)=O)CCC1 ZINC001719904421 1196923395 /nfs/dbraw/zinc/92/33/95/1196923395.db2.gz CNOMWWVMKDGSFT-KBXIAJHMSA-N 0 3 377.489 0.262 20 0 GCADHN O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000372361995 1196929679 /nfs/dbraw/zinc/92/96/79/1196929679.db2.gz UHUZWBBWNCJEKG-GOSISDBHSA-N 0 3 390.915 0.943 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000529725750 1196934715 /nfs/dbraw/zinc/93/47/15/1196934715.db2.gz OLFXGZZDOVTSNL-UHFFFAOYSA-N 0 3 385.530 0.658 20 0 GCADHN CC(C)[C@H]1CN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCN1 ZINC000648121728 1196947988 /nfs/dbraw/zinc/94/79/88/1196947988.db2.gz WQPKXIFIBNPDEY-HZPDHXFCSA-N 0 3 386.452 0.373 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCc3cc(F)c(F)c(F)c32)n1 ZINC000450832884 1196956330 /nfs/dbraw/zinc/95/63/30/1196956330.db2.gz JERMZDWSDAHZCY-LLVKDONJSA-N 0 3 382.390 0.879 20 0 GCADHN CNC(=O)c1nn(CN2CCC(C)(N3CCOCC3)CC2)c(=O)c2ccccc21 ZINC000530105055 1196962288 /nfs/dbraw/zinc/96/22/88/1196962288.db2.gz PFHZJQDEQYUVGQ-UHFFFAOYSA-N 0 3 399.495 0.900 20 0 GCADHN CCOC(=O)[C@](C)(O)CN1CC(C)(C)N(C[C@](C)(O)C(=O)OCC)C[C@@H]1C ZINC000451078146 1196968594 /nfs/dbraw/zinc/96/85/94/1196968594.db2.gz DIFGATBJZAAREA-KYNGSXCRSA-N 0 3 388.505 0.399 20 0 GCADHN CCOC(=O)CC1(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000451163729 1196977225 /nfs/dbraw/zinc/97/72/25/1196977225.db2.gz AIBXZZGZGNSQEI-UHFFFAOYSA-N 0 3 387.502 0.042 20 0 GCADHN COC(=O)CC[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(=O)OC ZINC000530345206 1196980143 /nfs/dbraw/zinc/98/01/43/1196980143.db2.gz HQVRTDCZAPZKPT-HOTGVXAUSA-N 0 3 377.441 0.905 20 0 GCADHN C[C@@H](CNC(=O)C1CCN(C(=O)N2CCCC2)CC1)CN1CCN(C)CC1 ZINC000121735466 1196984265 /nfs/dbraw/zinc/98/42/65/1196984265.db2.gz FTDYWYSRJFRWLB-KRWDZBQOSA-N 0 3 379.549 0.914 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000121763598 1196985062 /nfs/dbraw/zinc/98/50/62/1196985062.db2.gz UFERPNJDOKPUPY-GOSISDBHSA-N 0 3 394.541 0.657 20 0 GCADHN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000530431041 1196987301 /nfs/dbraw/zinc/98/73/01/1196987301.db2.gz MYKZZAWYHFVTEF-GVDBMIGSSA-N 0 3 387.546 0.758 20 0 GCADHN O=C(CN1CCCC1)N1CC[C@H](CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001059678766 1196987667 /nfs/dbraw/zinc/98/76/67/1196987667.db2.gz ZTLBLRHKGDOCGN-LSTDLKDCSA-N 0 3 379.501 0.489 20 0 GCADHN CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451325731 1196988063 /nfs/dbraw/zinc/98/80/63/1196988063.db2.gz BNDQVZYUHWEVLP-CQSZACIVSA-N 0 3 391.859 0.753 20 0 GCADHN CNS(=O)(=O)[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000121853314 1196991760 /nfs/dbraw/zinc/99/17/60/1196991760.db2.gz YUTGADLGYYUTQI-KRWDZBQOSA-N 0 3 380.514 0.349 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451491390 1196995290 /nfs/dbraw/zinc/99/52/90/1196995290.db2.gz BOCFZJMOBGMSKD-AMKSKSKJSA-N 0 3 385.486 0.930 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000530568145 1196996654 /nfs/dbraw/zinc/99/66/54/1196996654.db2.gz RBHQRZSEFDWMQL-AWEZNQCLSA-N 0 3 386.452 0.732 20 0 GCADHN Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000530567974 1196996844 /nfs/dbraw/zinc/99/68/44/1196996844.db2.gz FXYFUAWXCHWBGC-ZDUSSCGKSA-N 0 3 381.498 0.936 20 0 GCADHN CC(=O)[C@H](NC(=O)CN1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1)C(C)C ZINC000451533851 1196997551 /nfs/dbraw/zinc/99/75/51/1196997551.db2.gz WYJBATJFOLLKPW-TZIWHRDSSA-N 0 3 394.560 0.982 20 0 GCADHN CO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1C ZINC000451563117 1196998876 /nfs/dbraw/zinc/99/88/76/1196998876.db2.gz JPZGBVHBQUTGRY-FUHWJXTLSA-N 0 3 395.525 0.876 20 0 GCADHN NC(=O)c1ncn([C@@H]2CCCN(C(=O)NC[C@H]3NCCc4ccccc43)C2)n1 ZINC000517540297 1197001716 /nfs/dbraw/zinc/00/17/16/1197001716.db2.gz KZOVYXPGNVLYLN-GDBMZVCRSA-N 0 3 383.456 0.611 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000530640649 1197003351 /nfs/dbraw/zinc/00/33/51/1197003351.db2.gz MXMXZMHXSJOJEE-VBKZILBWSA-N 0 3 387.484 0.497 20 0 GCADHN CC(C)(COCc1ccccc1)NC(=O)NCCN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451634237 1197004897 /nfs/dbraw/zinc/00/48/97/1197004897.db2.gz ODKKDRHZNHYDQE-IYBDPMFKSA-N 0 3 388.468 0.485 20 0 GCADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000530733171 1197011108 /nfs/dbraw/zinc/01/11/08/1197011108.db2.gz GLYWHEHOZOLRLH-CYBMUJFWSA-N 0 3 376.457 0.794 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CC1 ZINC000451719257 1197012018 /nfs/dbraw/zinc/01/20/18/1197012018.db2.gz WWDFQPVHSOZRSY-SQNIBIBYSA-N 0 3 394.560 0.528 20 0 GCADHN O=C(NCc1nnc2n1CCC2)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000530869256 1197023521 /nfs/dbraw/zinc/02/35/21/1197023521.db2.gz FXDRZZLYHYWKMS-DLBZAZTESA-N 0 3 384.484 0.907 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CN1C1CC1 ZINC000531006447 1197036196 /nfs/dbraw/zinc/03/61/96/1197036196.db2.gz JKSWKFMPFNSVFC-CABCVRRESA-N 0 3 393.513 0.723 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCOC[C@@H]2CC(N)=O)CC1 ZINC000452078838 1197038247 /nfs/dbraw/zinc/03/82/47/1197038247.db2.gz FGMLFSNXYIRNBQ-IBGZPJMESA-N 0 3 388.512 0.606 20 0 GCADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000531044953 1197041956 /nfs/dbraw/zinc/04/19/56/1197041956.db2.gz BHXWZMWOVGEPBF-AWEZNQCLSA-N 0 3 376.457 0.598 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc3nsnc31)C2 ZINC001111523641 1197051659 /nfs/dbraw/zinc/05/16/59/1197051659.db2.gz DLUKBHDDBYMDSM-CLWVCHIJSA-N 0 3 376.482 0.963 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000452344635 1197053090 /nfs/dbraw/zinc/05/30/90/1197053090.db2.gz CYTXFCPEBKQLKP-MRXNPFEDSA-N 0 3 383.514 0.950 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)NC[C@H]2CCCN2CCCO)[C@H]1c1ccccc1 ZINC000452348761 1197053581 /nfs/dbraw/zinc/05/35/81/1197053581.db2.gz AKOJEIRDLJVGRL-RLLQIKCJSA-N 0 3 389.496 0.938 20 0 GCADHN COc1ccnc(N2CCC(C(=O)NC[C@@H]3CCCCN3CCO)CC2)n1 ZINC000452386748 1197055856 /nfs/dbraw/zinc/05/58/56/1197055856.db2.gz FWMUVGJGDGGFMY-INIZCTEOSA-N 0 3 377.489 0.665 20 0 GCADHN CCNC(=O)COc1ccc(CN[C@H](CC)C(=O)N2CCOCC2)cc1OC ZINC000531213361 1197056231 /nfs/dbraw/zinc/05/62/31/1197056231.db2.gz QAJNVTSGARZCSN-MRXNPFEDSA-N 0 3 393.484 0.937 20 0 GCADHN O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)N[C@H]1CCCN(CCCO)C1 ZINC000452377669 1197057933 /nfs/dbraw/zinc/05/79/33/1197057933.db2.gz RSVZFONMKIWEIR-INIZCTEOSA-N 0 3 398.463 0.587 20 0 GCADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452378723 1197058436 /nfs/dbraw/zinc/05/84/36/1197058436.db2.gz XOJGCRSRCDCUGM-DOTOQJQBSA-N 0 3 387.488 0.238 20 0 GCADHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N[C@@H]1CCCN(CCCO)C1)C2=O ZINC000452380024 1197058609 /nfs/dbraw/zinc/05/86/09/1197058609.db2.gz FHMXYFRMNHVOCI-FOIQADDNSA-N 0 3 394.516 0.840 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCCN(CCCO)C1)C2=O ZINC000452378742 1197058692 /nfs/dbraw/zinc/05/86/92/1197058692.db2.gz XPRUMIOKASVVNZ-LFDOHDQPSA-N 0 3 394.516 0.840 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CC[C@H](C)C2)c2ccccc2O1 ZINC000531283580 1197062475 /nfs/dbraw/zinc/06/24/75/1197062475.db2.gz VEFNGWOKTJUWAX-XJKSGUPXSA-N 0 3 375.425 0.412 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000531283390 1197062556 /nfs/dbraw/zinc/06/25/56/1197062556.db2.gz LKSIHDVOZNLLFA-ZDUSSCGKSA-N 0 3 383.452 0.739 20 0 GCADHN COc1cc2nc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)[nH]c2cc1OC ZINC000531294541 1197064002 /nfs/dbraw/zinc/06/40/02/1197064002.db2.gz VADWPZKISLVFKK-NSHDSACASA-N 0 3 375.429 0.929 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)c1 ZINC000531397140 1197073094 /nfs/dbraw/zinc/07/30/94/1197073094.db2.gz NBQNYEPJQDNZCF-CYBMUJFWSA-N 0 3 382.486 0.442 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000531494556 1197079086 /nfs/dbraw/zinc/07/90/86/1197079086.db2.gz JBSBSTYPBQFMRF-MRXNPFEDSA-N 0 3 386.456 0.775 20 0 GCADHN CCN(C)S(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCCN1CCCO ZINC000452785497 1197081566 /nfs/dbraw/zinc/08/15/66/1197081566.db2.gz TWOKLGZPISOWMS-OAHLLOKOSA-N 0 3 383.514 0.904 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000452796422 1197083017 /nfs/dbraw/zinc/08/30/17/1197083017.db2.gz MDVBFFHKYBHEAG-MRXNPFEDSA-N 0 3 383.514 0.442 20 0 GCADHN O=C(CC1(C(=O)NC[C@@H]2CCCCN2CCO)CCCC1)N1CCOCC1 ZINC000452800592 1197083052 /nfs/dbraw/zinc/08/30/52/1197083052.db2.gz RVQDPPHOMCFTDD-KRWDZBQOSA-N 0 3 381.517 0.759 20 0 GCADHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000531644952 1197089434 /nfs/dbraw/zinc/08/94/34/1197089434.db2.gz DLLZGWAINHBWED-MOPGFXCFSA-N 0 3 379.549 0.214 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000531645278 1197089729 /nfs/dbraw/zinc/08/97/29/1197089729.db2.gz VAVJFWSLQSGPFA-CQSZACIVSA-N 0 3 398.529 0.499 20 0 GCADHN C[C@@H](C(=O)Nc1cnccc1N1CCN(C)CC1)S(=O)(=O)C1CCOCC1 ZINC000531683215 1197092429 /nfs/dbraw/zinc/09/24/29/1197092429.db2.gz XYKITRYLBIBGGP-AWEZNQCLSA-N 0 3 396.513 0.754 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000531834901 1197099173 /nfs/dbraw/zinc/09/91/73/1197099173.db2.gz OAWNGLJFVHMTSE-AWEZNQCLSA-N 0 3 389.518 0.144 20 0 GCADHN COCCN1CCC(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000531845703 1197100713 /nfs/dbraw/zinc/10/07/13/1197100713.db2.gz CGDKNOLUSVJPGS-UHFFFAOYSA-N 0 3 397.497 0.222 20 0 GCADHN CCc1cccc2c1N(C(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CC2 ZINC000531994815 1197106555 /nfs/dbraw/zinc/10/65/55/1197106555.db2.gz QTDPNHKSFXRVOM-SFHVURJKSA-N 0 3 398.507 0.903 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000532077794 1197112064 /nfs/dbraw/zinc/11/20/64/1197112064.db2.gz HNZTXTSVKULZHG-WFASDCNBSA-N 0 3 399.538 0.982 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(F)c(OC)c(F)c1OC ZINC000453641609 1197115630 /nfs/dbraw/zinc/11/56/30/1197115630.db2.gz NBSLKYWSBRRZMC-UHFFFAOYSA-N 0 3 389.399 0.957 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C ZINC000453643390 1197116142 /nfs/dbraw/zinc/11/61/42/1197116142.db2.gz LENISOXMMDUQNL-CQSZACIVSA-N 0 3 396.513 0.784 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000453629347 1197117382 /nfs/dbraw/zinc/11/73/82/1197117382.db2.gz ABBZTLODZVTPHU-ZDUSSCGKSA-N 0 3 376.457 0.969 20 0 GCADHN Cn1[nH]cnc1=NC(=O)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000453705105 1197124316 /nfs/dbraw/zinc/12/43/16/1197124316.db2.gz XNKIXWRBGZFJNM-FQEVSTJZSA-N 0 3 382.468 0.690 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000532196880 1197125358 /nfs/dbraw/zinc/12/53/58/1197125358.db2.gz VKVKZTMGZMWXAB-OKZBNKHCSA-N 0 3 398.573 0.982 20 0 GCADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)CC1 ZINC000453739415 1197127789 /nfs/dbraw/zinc/12/77/89/1197127789.db2.gz DEPRZKUGTYQDJT-GJZGRUSLSA-N 0 3 397.859 0.316 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453768171 1197129273 /nfs/dbraw/zinc/12/92/73/1197129273.db2.gz UMFAHBNYVRAXHZ-DVOMOZLQSA-N 0 3 388.468 0.921 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000532234519 1197130336 /nfs/dbraw/zinc/13/03/36/1197130336.db2.gz VBQWMSBQWBPYGY-MRXNPFEDSA-N 0 3 388.468 0.965 20 0 GCADHN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@H]3CCCN3CCCO)c2)n[nH]1 ZINC000453809716 1197134281 /nfs/dbraw/zinc/13/42/81/1197134281.db2.gz VIBLZEJSDDNJCV-INIZCTEOSA-N 0 3 386.456 0.682 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000453801610 1197137665 /nfs/dbraw/zinc/13/76/65/1197137665.db2.gz ATGQVTCUJQZJOC-GFCCVEGCSA-N 0 3 385.367 0.910 20 0 GCADHN CCOc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)ccc1OC ZINC000453810104 1197139953 /nfs/dbraw/zinc/13/99/53/1197139953.db2.gz WLPXTFYRINWYTP-HNNXBMFYSA-N 0 3 379.457 0.995 20 0 GCADHN COCCN1CCC(NC(=O)NCc2ccc3c(c2)CCS3(=O)=O)CC1 ZINC000532317748 1197141128 /nfs/dbraw/zinc/14/11/28/1197141128.db2.gz QGQFDEHDWFMLMT-UHFFFAOYSA-N 0 3 381.498 0.926 20 0 GCADHN CCN1CCN(CCCNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000041443817 1197149956 /nfs/dbraw/zinc/14/99/56/1197149956.db2.gz MTTIKFGUIWNLCL-UZLBHIALSA-N 0 3 393.532 0.631 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1C(=O)OC ZINC000453915358 1197152093 /nfs/dbraw/zinc/15/20/93/1197152093.db2.gz JPUMXNDCBFJWLT-XHDPSFHLSA-N 0 3 389.408 0.361 20 0 GCADHN COCCOc1cc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1OC ZINC000453916290 1197152568 /nfs/dbraw/zinc/15/25/68/1197152568.db2.gz BFCCEMNLYPEKTL-DZGCQCFKSA-N 0 3 377.441 0.821 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000453915210 1197153027 /nfs/dbraw/zinc/15/30/27/1197153027.db2.gz JJIWKSRXFXQDEI-XJKSGUPXSA-N 0 3 394.497 0.476 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000170898824 1197156291 /nfs/dbraw/zinc/15/62/91/1197156291.db2.gz UIZLGXFTBQRZAT-UHFFFAOYSA-N 0 3 375.477 0.064 20 0 GCADHN CCOC(=O)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000453917385 1197157923 /nfs/dbraw/zinc/15/79/23/1197157923.db2.gz CCXNEIIUDDKMMP-XJKSGUPXSA-N 0 3 375.425 0.730 20 0 GCADHN CC1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@@H]3C2)CC1 ZINC000986310907 1197163564 /nfs/dbraw/zinc/16/35/64/1197163564.db2.gz BGDONGODXAFUIT-DMUMMCEESA-N 0 3 393.528 0.829 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000172427716 1197172711 /nfs/dbraw/zinc/17/27/11/1197172711.db2.gz RHRLUPNBFYTMTB-LBPRGKRZSA-N 0 3 380.411 0.807 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)ccc1F ZINC000172759415 1197174055 /nfs/dbraw/zinc/17/40/55/1197174055.db2.gz VSPQKVOLNDGNEN-GFCCVEGCSA-N 0 3 375.408 0.458 20 0 GCADHN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCO[C@H](CN(C)C)C3)cc12 ZINC000173791173 1197179321 /nfs/dbraw/zinc/17/93/21/1197179321.db2.gz BSNJKCSVRZFJGV-CHWSQXEVSA-N 0 3 393.513 0.851 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000453922933 1197181238 /nfs/dbraw/zinc/18/12/38/1197181238.db2.gz VZAIOBDNFQIECY-SWLSCSKDSA-N 0 3 380.470 0.004 20 0 GCADHN CC1(C)CN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CCN1 ZINC000175389710 1197183870 /nfs/dbraw/zinc/18/38/70/1197183870.db2.gz NJHFGSFCNGZJTC-INIZCTEOSA-N 0 3 385.468 0.334 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177165450 1197188822 /nfs/dbraw/zinc/18/88/22/1197188822.db2.gz SETZYLOPIJLODD-UKRRQHHQSA-N 0 3 389.500 0.589 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177165450 1197188824 /nfs/dbraw/zinc/18/88/24/1197188824.db2.gz SETZYLOPIJLODD-UKRRQHHQSA-N 0 3 389.500 0.589 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428531176 1197195222 /nfs/dbraw/zinc/19/52/22/1197195222.db2.gz AEOSCZWRRSRSIU-INIZCTEOSA-N 0 3 385.486 0.148 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000120067307 1197200311 /nfs/dbraw/zinc/20/03/11/1197200311.db2.gz BSYCKGHVGSYRLB-IAGOWNOFSA-N 0 3 380.514 0.984 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC[C@@H](CN2CCC(C)CC2)C1 ZINC000666111609 1197204955 /nfs/dbraw/zinc/20/49/55/1197204955.db2.gz XXOQQAVNRDZTQA-YESZJQIVSA-N 0 3 387.546 0.952 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000666120925 1197210309 /nfs/dbraw/zinc/21/03/09/1197210309.db2.gz WHFYBFSKNRRKRB-OAHLLOKOSA-N 0 3 382.486 0.970 20 0 GCADHN O=C(Nc1ccn(CCN2CCOCC2)n1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666125100 1197212157 /nfs/dbraw/zinc/21/21/57/1197212157.db2.gz RSFVXBQZDNWJEQ-QGZVFWFLSA-N 0 3 392.504 0.590 20 0 GCADHN NC(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(F)c1 ZINC000475765528 1197213324 /nfs/dbraw/zinc/21/33/24/1197213324.db2.gz BFSKQWIIRWVRRB-UHFFFAOYSA-N 0 3 377.420 0.697 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000986687360 1197217742 /nfs/dbraw/zinc/21/77/42/1197217742.db2.gz DJEBDADYTSJPCD-ATLSCFEFSA-N 0 3 390.528 0.502 20 0 GCADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC000986765401 1197223011 /nfs/dbraw/zinc/22/30/11/1197223011.db2.gz NZSVNJGGUBCBSU-YALNPMBYSA-N 0 3 382.468 0.796 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCc1nnc2n1CCCCC2 ZINC000185506648 1197225416 /nfs/dbraw/zinc/22/54/16/1197225416.db2.gz BWVQKAJBBFNOJI-MRXNPFEDSA-N 0 3 377.537 0.872 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C[C@H]1N(C)C ZINC000760208333 1197225487 /nfs/dbraw/zinc/22/54/87/1197225487.db2.gz NOHZFJAMZSMDTN-ARFHVFGLSA-N 0 3 393.488 0.750 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(Cn3cncn3)CC2)CC1 ZINC000187058787 1197229915 /nfs/dbraw/zinc/22/99/15/1197229915.db2.gz DAXIFADVSXDHNE-KRWDZBQOSA-N 0 3 377.537 0.973 20 0 GCADHN CN1CCC(NC(=O)c2nnc3n2CCN(C(=O)c2nccs2)C3)CC1 ZINC001272036753 1197232729 /nfs/dbraw/zinc/23/27/29/1197232729.db2.gz NNGSFYBOKRTKMF-UHFFFAOYSA-N 0 3 375.458 0.215 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(C)C ZINC000453941807 1197239604 /nfs/dbraw/zinc/23/96/04/1197239604.db2.gz BZVNDOJZQCIAMQ-AWEZNQCLSA-N 0 3 396.513 0.866 20 0 GCADHN CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCOCC1)C2 ZINC001719914302 1197244206 /nfs/dbraw/zinc/24/42/06/1197244206.db2.gz JDPAFKCPHTVJTO-ZACQAIPSSA-N 0 3 380.533 0.686 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC1(C[NH+](C)C)CCC1 ZINC000508649244 1197249848 /nfs/dbraw/zinc/24/98/48/1197249848.db2.gz GOJGWTHVEYJKAI-UHFFFAOYSA-N 0 3 377.489 0.860 20 0 GCADHN CCN1CCN(CCC(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000888125116 1197253794 /nfs/dbraw/zinc/25/37/94/1197253794.db2.gz SNBFMTOBDIIJHT-IBGZPJMESA-N 0 3 384.521 0.502 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)N(C)C ZINC000453955219 1197257290 /nfs/dbraw/zinc/25/72/90/1197257290.db2.gz GODSETZKVMDLFO-KKUMJFAQSA-N 0 3 390.484 0.941 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000666308485 1197261675 /nfs/dbraw/zinc/26/16/75/1197261675.db2.gz GAMKRVLSXQBSOC-SFHVURJKSA-N 0 3 394.541 0.945 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(F)c2F)CC1 ZINC000103325769 1197271373 /nfs/dbraw/zinc/27/13/73/1197271373.db2.gz YPTFFHFCUIWCSO-UHFFFAOYSA-N 0 3 380.395 0.670 20 0 GCADHN CCS(=O)(=O)N(C)CC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000487540248 1197274117 /nfs/dbraw/zinc/27/41/17/1197274117.db2.gz QKUBHQSCVWJVGI-UHFFFAOYSA-N 0 3 383.514 0.541 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000103449109 1197274704 /nfs/dbraw/zinc/27/47/04/1197274704.db2.gz QCSJWVAFTRKABO-KRWDZBQOSA-N 0 3 378.517 0.648 20 0 GCADHN CC(=O)Nc1ccc(CCNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1 ZINC000888157581 1197276048 /nfs/dbraw/zinc/27/60/48/1197276048.db2.gz KFZRMRBERRBYJW-CQSZACIVSA-N 0 3 375.473 0.949 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c(C)nc3ccnn3c2C)CC1=O ZINC000633104102 1197279300 /nfs/dbraw/zinc/27/93/00/1197279300.db2.gz BRTXHOBGCWNLFM-HNNXBMFYSA-N 0 3 388.472 0.255 20 0 GCADHN CN(C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000988007839 1197285972 /nfs/dbraw/zinc/28/59/72/1197285972.db2.gz SIZXPQLQOBLVHH-VUHPKUFZSA-N 0 3 379.501 0.441 20 0 GCADHN Cn1cnn(-c2ccc(NC(=O)NC3CCN([C@@H]4CCOC4)CC3)cc2)c1=O ZINC000666522365 1197286151 /nfs/dbraw/zinc/28/61/51/1197286151.db2.gz UCAAJRVHLYCKKF-QGZVFWFLSA-N 0 3 386.456 0.946 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3COC[C@H]3O)c2)CC1 ZINC000453978898 1197293710 /nfs/dbraw/zinc/29/37/10/1197293710.db2.gz OXTRJJPLJMCJRZ-IAGOWNOFSA-N 0 3 376.457 0.031 20 0 GCADHN CN(C)CCN(CC1CCCCC1)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000104314817 1197294146 /nfs/dbraw/zinc/29/41/46/1197294146.db2.gz MMLNDJWEEDQRHG-UHFFFAOYSA-N 0 3 385.534 0.669 20 0 GCADHN C[C@@H](C(=O)N1CCCN([C@H](C)CO)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000470070411 1197298295 /nfs/dbraw/zinc/29/82/95/1197298295.db2.gz GJYLXOMOVHKYMB-HZPDHXFCSA-N 0 3 397.541 0.956 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CCN1C(=O)CN1CCCC1 ZINC000988286501 1197302358 /nfs/dbraw/zinc/30/23/58/1197302358.db2.gz OBAXVQQKPIJMPS-VXIBKDFQSA-N 0 3 389.500 0.490 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CCN1C(=O)CN1CCC(C)CC1 ZINC000988305849 1197304706 /nfs/dbraw/zinc/30/47/06/1197304706.db2.gz MFDUJTMXYOGQFE-WCXIOVBPSA-N 0 3 378.517 0.739 20 0 GCADHN CCO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000454043896 1197319260 /nfs/dbraw/zinc/31/92/60/1197319260.db2.gz ZSILSCBZGFABLX-QZTJIDSGSA-N 0 3 390.484 0.687 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1C ZINC000454115674 1197328865 /nfs/dbraw/zinc/32/88/65/1197328865.db2.gz XKPSSQYGZQSUAT-AWEZNQCLSA-N 0 3 396.513 0.830 20 0 GCADHN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)O2 ZINC000897451973 1197333622 /nfs/dbraw/zinc/33/36/22/1197333622.db2.gz QRXSSNINQSMLJK-GFAJBQDWSA-N 0 3 381.517 0.923 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)N(C)C ZINC000112503673 1197334836 /nfs/dbraw/zinc/33/48/36/1197334836.db2.gz ALYSXRKJUAXGTG-QFBILLFUSA-N 0 3 390.532 0.984 20 0 GCADHN CCC[C@H](C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)S(N)(=O)=O ZINC000666648276 1197342280 /nfs/dbraw/zinc/34/22/80/1197342280.db2.gz XZNYNUAHTUPQKF-MRXNPFEDSA-N 0 3 396.513 0.780 20 0 GCADHN C[C@H]1CCCCN1CCNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000332938313 1197347589 /nfs/dbraw/zinc/34/75/89/1197347589.db2.gz ILROVQYDIZUDNZ-KBXCAEBGSA-N 0 3 380.489 0.593 20 0 GCADHN C[C@H](CNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccccc1)CN1CCN(C)CC1 ZINC000332984605 1197348853 /nfs/dbraw/zinc/34/88/53/1197348853.db2.gz COAJVLLYGZVGGW-UXPWSPDFSA-N 0 3 388.512 0.585 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000333011715 1197348908 /nfs/dbraw/zinc/34/89/08/1197348908.db2.gz SYGLPHWWLRJXGB-FRQCXROJSA-N 0 3 396.557 0.989 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)CC1 ZINC000332993713 1197349116 /nfs/dbraw/zinc/34/91/16/1197349116.db2.gz VWXIDVBTGCPXDP-SIXWZSSISA-N 0 3 390.532 0.390 20 0 GCADHN O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000536533269 1197354424 /nfs/dbraw/zinc/35/44/24/1197354424.db2.gz QCPTVINWVAKOMF-GOSISDBHSA-N 0 3 382.468 0.237 20 0 GCADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729619708 1197354548 /nfs/dbraw/zinc/35/45/48/1197354548.db2.gz SGZXQZRVBYWSGZ-VNQPRFMTSA-N 0 3 396.513 0.900 20 0 GCADHN CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cc2)CC1 ZINC000536539875 1197356140 /nfs/dbraw/zinc/35/61/40/1197356140.db2.gz RVZMUFNXSGMRPQ-HXUWFJFHSA-N 0 3 399.539 0.722 20 0 GCADHN CN(C)C(=O)Cc1nc(CN2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC000104959823 1197357118 /nfs/dbraw/zinc/35/71/18/1197357118.db2.gz NBXWOOXBDSIRKR-UHFFFAOYSA-N 0 3 379.530 0.514 20 0 GCADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@](C)(O)C1CC1 ZINC001709132055 1197361397 /nfs/dbraw/zinc/36/13/97/1197361397.db2.gz WYDQACCEKIKQHH-UZLBHIALSA-N 0 3 390.532 0.744 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)CCSC1 ZINC000897474776 1197365272 /nfs/dbraw/zinc/36/52/72/1197365272.db2.gz AXOLSTAYGYIUGI-HNAYVOBHSA-N 0 3 399.557 0.632 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)CO2)CCSC1 ZINC000897474775 1197365381 /nfs/dbraw/zinc/36/53/81/1197365381.db2.gz AXOLSTAYGYIUGI-DNVCBOLYSA-N 0 3 399.557 0.632 20 0 GCADHN CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000129317287 1197366107 /nfs/dbraw/zinc/36/61/07/1197366107.db2.gz DMRIIPMDFLOAAT-SFHVURJKSA-N 0 3 394.560 0.746 20 0 GCADHN COc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C3)nn1 ZINC001719919445 1197366951 /nfs/dbraw/zinc/36/69/51/1197366951.db2.gz QYFYBOXGUNCRLO-JJAZEVLHSA-N 0 3 375.473 0.933 20 0 GCADHN CCCNC(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC[C@@H](C)C1 ZINC001719918669 1197366994 /nfs/dbraw/zinc/36/69/94/1197366994.db2.gz SLDGPFPUOUZJLX-VQHPVUNQSA-N 0 3 378.517 0.883 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nc[nH]c1C)C2 ZINC001719919351 1197367047 /nfs/dbraw/zinc/36/70/47/1197367047.db2.gz HXWQZJVDYDOTJS-BMFZPTHFSA-N 0 3 375.473 0.671 20 0 GCADHN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000418840910 1197367868 /nfs/dbraw/zinc/36/78/68/1197367868.db2.gz YLRMFIGKIHSDRD-QGZVFWFLSA-N 0 3 378.448 0.137 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC(=O)N1C)C2 ZINC001719926085 1197372122 /nfs/dbraw/zinc/37/21/22/1197372122.db2.gz OOIJMRQRDANZJM-LVQVYYBASA-N 0 3 378.517 0.976 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cn2cnc(-c3ccccc3)n2)CC1 ZINC000130905972 1197374937 /nfs/dbraw/zinc/37/49/37/1197374937.db2.gz QAAHBCRUIPGEMF-KRWDZBQOSA-N 0 3 382.468 0.886 20 0 GCADHN CS(=O)(=O)CCN1CCC(NC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000131058424 1197375459 /nfs/dbraw/zinc/37/54/59/1197375459.db2.gz MGJJIKIXQURZAX-UHFFFAOYSA-N 0 3 377.470 0.711 20 0 GCADHN CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C(N)=O)C2 ZINC001719936059 1197377343 /nfs/dbraw/zinc/37/73/43/1197377343.db2.gz MINSTQFMNYQVAJ-LVQVYYBASA-N 0 3 379.505 0.508 20 0 GCADHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(=O)cc1OC)C2 ZINC001719939644 1197378753 /nfs/dbraw/zinc/37/87/53/1197378753.db2.gz PGSFDDRTJQKTNW-YUELXQCFSA-N 0 3 376.457 0.999 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2cc(Br)cc(F)c2F)no1 ZINC001211958733 1197387318 /nfs/dbraw/zinc/38/73/18/1197387318.db2.gz GRDQRECMFRPFEO-QMMMGPOBSA-N 0 3 377.145 0.886 20 0 GCADHN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@H](CO)CN(C)C)CC2 ZINC000614845943 1197387641 /nfs/dbraw/zinc/38/76/41/1197387641.db2.gz FRDMXBYFQGTTMP-INIZCTEOSA-N 0 3 393.484 0.407 20 0 GCADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614851923 1197388215 /nfs/dbraw/zinc/38/82/15/1197388215.db2.gz MLFLZDQZTJCBLY-BNDIWNMDSA-N 0 3 391.390 0.011 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](CO)CN(C)C)C2)cc1 ZINC000614853697 1197388333 /nfs/dbraw/zinc/38/83/33/1197388333.db2.gz GSPKALOPYXWKRZ-HZPDHXFCSA-N 0 3 383.514 0.434 20 0 GCADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CO)CN(C)C)c(OC)c1 ZINC000614853715 1197388421 /nfs/dbraw/zinc/38/84/21/1197388421.db2.gz GYABYAWTBXQTMC-CZUORRHYSA-N 0 3 379.457 0.347 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000614850128 1197388944 /nfs/dbraw/zinc/38/89/44/1197388944.db2.gz SRYVYCIVQOUTLJ-JKSUJKDBSA-N 0 3 394.541 0.977 20 0 GCADHN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](CO)CN(C)C)cc2)C1 ZINC000614858563 1197390856 /nfs/dbraw/zinc/39/08/56/1197390856.db2.gz JEZGHFHBNQWGIJ-GOEBONIOSA-N 0 3 383.514 0.760 20 0 GCADHN CN(CCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)CC(F)(F)F ZINC000136972593 1197391384 /nfs/dbraw/zinc/39/13/84/1197391384.db2.gz BIXRNSZPZDVGGE-AWEZNQCLSA-N 0 3 393.454 0.819 20 0 GCADHN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@H]2CN(CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075906790 1197393961 /nfs/dbraw/zinc/39/39/61/1197393961.db2.gz ZZMNVHQRPXBCOO-BVIKNXMNSA-N 0 3 392.525 0.871 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@]2(O)CCSC2)CC1 ZINC001746135443 1197400610 /nfs/dbraw/zinc/40/06/10/1197400610.db2.gz UEPNZACDXHNMSU-GOSISDBHSA-N 0 3 396.561 0.445 20 0 GCADHN CCN(CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H]2CC=CCO2)CC1 ZINC001746135010 1197400678 /nfs/dbraw/zinc/40/06/78/1197400678.db2.gz JEMIHCIYQVUCRJ-QGZVFWFLSA-N 0 3 376.505 0.922 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@]1(C)CCOC2(CCC2)C1)CN1CCN(C)CC1 ZINC000897493413 1197402009 /nfs/dbraw/zinc/40/20/09/1197402009.db2.gz AJOLUDRLPDBSPC-YLJYHZDGSA-N 0 3 394.560 0.842 20 0 GCADHN CCc1cc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)C2)ncn1 ZINC000245420186 1197403475 /nfs/dbraw/zinc/40/34/75/1197403475.db2.gz BYMHGDMAWBGFFB-DOTOQJQBSA-N 0 3 388.516 0.534 20 0 GCADHN CS(=O)(=O)N1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532798671 1197413342 /nfs/dbraw/zinc/41/33/42/1197413342.db2.gz WJGVSVHCRSDBMW-SJORKVTESA-N 0 3 380.514 0.691 20 0 GCADHN C[C@@]1(n2cc(CNC[C@H]3CCCN3c3cccnn3)cn2)CCS(=O)(=O)C1 ZINC000532866155 1197418330 /nfs/dbraw/zinc/41/83/30/1197418330.db2.gz XSKGDKVHPBCZGE-SJLPKXTDSA-N 0 3 390.513 0.965 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@](COC)(C(=O)OC)C2)CC1 ZINC000454603027 1197422789 /nfs/dbraw/zinc/42/27/89/1197422789.db2.gz AKTSXIZTTJDLAG-APWZRJJASA-N 0 3 384.521 0.481 20 0 GCADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000245711700 1197423224 /nfs/dbraw/zinc/42/32/24/1197423224.db2.gz FKLNATPYYPAPNV-ZIFCJYIRSA-N 0 3 388.512 0.291 20 0 GCADHN C[C@@H](CNC(=O)N[C@@H](C)C(=O)NCCc1ccccc1)CN1CCN(C)CC1 ZINC000454616382 1197423892 /nfs/dbraw/zinc/42/38/92/1197423892.db2.gz JYWHAKXQHIMMTF-ROUUACIJSA-N 0 3 389.544 0.917 20 0 GCADHN C[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)C(=O)NCCc1ccccc1 ZINC000454616383 1197423947 /nfs/dbraw/zinc/42/39/47/1197423947.db2.gz JYWHAKXQHIMMTF-ZWKOTPCHSA-N 0 3 389.544 0.917 20 0 GCADHN CN(C)C(=O)N[C@@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000454642102 1197424463 /nfs/dbraw/zinc/42/44/63/1197424463.db2.gz FWSFXCCWHOZUMD-HZPDHXFCSA-N 0 3 396.536 0.374 20 0 GCADHN O=C(Nc1ccnn1C[C@H]1CCOC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000532998539 1197425702 /nfs/dbraw/zinc/42/57/02/1197425702.db2.gz UDHWEIDKIPNWBI-HZPDHXFCSA-N 0 3 375.473 0.945 20 0 GCADHN CC(C)n1cc([C@@]2(O)CCCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)C2)nn1 ZINC000375723230 1197426426 /nfs/dbraw/zinc/42/64/26/1197426426.db2.gz OPIDRPHWXFIRLA-HNAYVOBHSA-N 0 3 392.504 0.079 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000533048000 1197429074 /nfs/dbraw/zinc/42/90/74/1197429074.db2.gz AMOZKJMBFUNFOO-CQSZACIVSA-N 0 3 395.529 0.639 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000454750298 1197430559 /nfs/dbraw/zinc/43/05/59/1197430559.db2.gz NWXKNLCLYHJNHT-AWEZNQCLSA-N 0 3 384.502 0.905 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(S(=O)(=O)c3cnn([C@@H]4CCOC4)c3)C2)CC1 ZINC000533097816 1197431884 /nfs/dbraw/zinc/43/18/84/1197431884.db2.gz BJNXCDDUEAPKPN-IAGOWNOFSA-N 0 3 397.545 0.634 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245909479 1197438059 /nfs/dbraw/zinc/43/80/59/1197438059.db2.gz RDGNJZAOXICASG-NZSAHSFTSA-N 0 3 376.501 0.642 20 0 GCADHN CC(C)Cn1nccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000533316120 1197445351 /nfs/dbraw/zinc/44/53/51/1197445351.db2.gz VQEOHMUXFYAMFX-OAHLLOKOSA-N 0 3 390.488 0.243 20 0 GCADHN COC[C@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C)[C@@H]1CCCOC1 ZINC000897512810 1197445527 /nfs/dbraw/zinc/44/55/27/1197445527.db2.gz BBORXPHRSXDVHO-QRVBRYPASA-N 0 3 391.512 0.833 20 0 GCADHN Cc1c(C(=O)N2CC[C@@H](N3CCCCC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000533359896 1197446823 /nfs/dbraw/zinc/44/68/23/1197446823.db2.gz RVOMQOKNZHDBHQ-CQSZACIVSA-N 0 3 385.468 0.641 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000130263467 1197449192 /nfs/dbraw/zinc/44/91/92/1197449192.db2.gz FWZZSPVTURRIMX-UHFFFAOYSA-N 0 3 382.892 0.785 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc3c(c2)CCCC3=O)no1)C(N)=O ZINC001211998176 1197465391 /nfs/dbraw/zinc/46/53/91/1197465391.db2.gz GNYUPBBLTHSUAR-IINYFYTJSA-N 0 3 385.424 0.506 20 0 GCADHN CCN1CCc2ccc(-c3noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n3)cc21 ZINC001211998453 1197465897 /nfs/dbraw/zinc/46/58/97/1197465897.db2.gz OZAZOGGJYCDMES-SMDDNHRTSA-N 0 3 386.456 0.369 20 0 GCADHN COc1cc(F)c(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)cc1F ZINC001211998330 1197465988 /nfs/dbraw/zinc/46/59/88/1197465988.db2.gz NZGSYOTZNBBANA-WRWORJQWSA-N 0 3 383.355 0.273 20 0 GCADHN COc1ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c(Cl)c1 ZINC001211998712 1197466194 /nfs/dbraw/zinc/46/61/94/1197466194.db2.gz XVJOGGVFSDLKHV-QPUJVOFHSA-N 0 3 381.820 0.649 20 0 GCADHN COc1ncccc1-c1noc([C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)n1 ZINC001212000339 1197469500 /nfs/dbraw/zinc/46/95/00/1197469500.db2.gz FCBJAHYQULKIKV-GJZGRUSLSA-N 0 3 399.407 0.565 20 0 GCADHN Cc1cnccc1-c1noc([C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)n1 ZINC001212000508 1197469881 /nfs/dbraw/zinc/46/98/81/1197469881.db2.gz KIHAQMSDYWFHQB-HOTGVXAUSA-N 0 3 383.408 0.865 20 0 GCADHN Cc1cccc(-c2noc([C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)n2)n1 ZINC001212000630 1197469946 /nfs/dbraw/zinc/46/99/46/1197469946.db2.gz QAMNLHYQIRHFPX-HOCLYGCPSA-N 0 3 383.408 0.865 20 0 GCADHN Cc1cc(C)n(-c2ccc(-c3noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n3)cn2)n1 ZINC001212022783 1197475033 /nfs/dbraw/zinc/47/50/33/1197475033.db2.gz FJTBBVDIHWJPTO-AAEUAGOBSA-N 0 3 398.427 0.314 20 0 GCADHN Cc1cnc(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)c(Br)c1 ZINC001212022933 1197475039 /nfs/dbraw/zinc/47/50/39/1197475039.db2.gz JRKPRYGSJVXYCX-CBAPKCEASA-N 0 3 397.233 0.582 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000248840677 1197480173 /nfs/dbraw/zinc/48/01/73/1197480173.db2.gz NSGOJHJZLUOVPU-WMLDXEAASA-N 0 3 391.497 0.335 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000248851745 1197480244 /nfs/dbraw/zinc/48/02/44/1197480244.db2.gz OVDDPORUTDFNBL-YZGWKJHDSA-N 0 3 390.528 0.841 20 0 GCADHN CCNS(=O)(=O)[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249281478 1197480665 /nfs/dbraw/zinc/48/06/65/1197480665.db2.gz GPNJKHZFRXRVLR-IAGOWNOFSA-N 0 3 382.530 0.419 20 0 GCADHN CCNS(=O)(=O)[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249281473 1197480738 /nfs/dbraw/zinc/48/07/38/1197480738.db2.gz GPNJKHZFRXRVLR-DLBZAZTESA-N 0 3 382.530 0.419 20 0 GCADHN C[C@@H]1CN(C[C@H]2CCCN2C(=O)CN(C)c2ncnc3[nH]cnc32)C[C@@H](C)O1 ZINC000250575398 1197484637 /nfs/dbraw/zinc/48/46/37/1197484637.db2.gz ZCABUOGQZDENPM-RBSFLKMASA-N 0 3 387.488 0.889 20 0 GCADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCCCCCC1 ZINC001482750921 1197486559 /nfs/dbraw/zinc/48/65/59/1197486559.db2.gz CDUBQBDBQNOSOS-MJQMVNBJSA-N 0 3 381.517 0.661 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CCc3cc(O)c(OC)cc3C2)CC1 ZINC000897529668 1197492630 /nfs/dbraw/zinc/49/26/30/1197492630.db2.gz SBPRQVSCCSTPQM-UHFFFAOYSA-N 0 3 391.468 0.513 20 0 GCADHN CC(C)[C@H](CCO)NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000161902896 1197501179 /nfs/dbraw/zinc/50/11/79/1197501179.db2.gz WNFSZGUDERVGOH-HNNXBMFYSA-N 0 3 388.468 0.357 20 0 GCADHN COc1ncc(-c2noc([C@@H]3CCCN3C(=O)[C@@H](N)CCC(N)=O)n2)cc1C ZINC001212076554 1197501468 /nfs/dbraw/zinc/50/14/68/1197501468.db2.gz IGCXEACTWLNASL-STQMWFEESA-N 0 3 388.428 0.705 20 0 GCADHN NC(=O)CC[C@H](N)C(=O)N1CCC[C@H]1c1nc(-c2ccc3nccnc3c2)no1 ZINC001212076845 1197502483 /nfs/dbraw/zinc/50/24/83/1197502483.db2.gz VZWFGFLZCLYMHC-WFASDCNBSA-N 0 3 395.423 0.936 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)c1ccn2cncc2c1 ZINC000988753068 1197503393 /nfs/dbraw/zinc/50/33/93/1197503393.db2.gz LVUVDWRRBRTWJG-KJWYOANISA-N 0 3 385.468 0.773 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000988753955 1197503791 /nfs/dbraw/zinc/50/37/91/1197503791.db2.gz HSAUTTJXCBRDDG-WCXIOVBPSA-N 0 3 380.533 0.543 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCCN1CCN(C)CC1)C2=O ZINC000053287541 1197508029 /nfs/dbraw/zinc/50/80/29/1197508029.db2.gz PBWIMLGKRFIXOT-UHFFFAOYSA-N 0 3 393.532 0.631 20 0 GCADHN Cc1nc2ccccc2c(=O)n1CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000116621119 1197508959 /nfs/dbraw/zinc/50/89/59/1197508959.db2.gz QLILNRKAVRVNJY-GOSISDBHSA-N 0 3 399.495 0.764 20 0 GCADHN CCN(CCO)CCNC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000546712569 1197511026 /nfs/dbraw/zinc/51/10/26/1197511026.db2.gz QPGYWRPDCQXIEU-UHFFFAOYSA-N 0 3 378.473 0.272 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000261799468 1197515346 /nfs/dbraw/zinc/51/53/46/1197515346.db2.gz RHYOKMHCOMUFOU-OAHLLOKOSA-N 0 3 382.424 0.231 20 0 GCADHN Cc1ccccc1O[C@H](C)C(=O)N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000261964799 1197521070 /nfs/dbraw/zinc/52/10/70/1197521070.db2.gz AYBOXXGCGKSZLM-GOSISDBHSA-N 0 3 388.512 0.728 20 0 GCADHN O=C(CN1CCN(CCC(=O)N2CCNCC2)CC1)N1CCc2ccccc21 ZINC000262028334 1197522563 /nfs/dbraw/zinc/52/25/63/1197522563.db2.gz GSMVLQUHXVIYEQ-UHFFFAOYSA-N 0 3 385.512 0.015 20 0 GCADHN O=C(CCN1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)N1CCNCC1 ZINC000262014558 1197522604 /nfs/dbraw/zinc/52/26/04/1197522604.db2.gz FRZKNJHANDFXLP-MRXNPFEDSA-N 0 3 398.504 0.390 20 0 GCADHN COc1cc(OC)cc(C(=O)N2CCN(CCC(=O)N3CCNCC3)CC2)c1 ZINC000262029766 1197523256 /nfs/dbraw/zinc/52/32/56/1197523256.db2.gz GUJYSMVLJOWBJP-UHFFFAOYSA-N 0 3 390.484 0.284 20 0 GCADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)CC2 ZINC000611658605 1197533468 /nfs/dbraw/zinc/53/34/68/1197533468.db2.gz WMDTVWZRRBBFAA-GJZGRUSLSA-N 0 3 392.504 0.092 20 0 GCADHN CCC1(N2CCOCC2)CCN(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000629416203 1197543958 /nfs/dbraw/zinc/54/39/58/1197543958.db2.gz HHYQWZJPMKXLDH-MRXNPFEDSA-N 0 3 387.546 0.209 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1(C)C ZINC000282056474 1197547163 /nfs/dbraw/zinc/54/71/63/1197547163.db2.gz QCGLFNAYMIHTEU-UHFFFAOYSA-N 0 3 385.472 0.348 20 0 GCADHN CN(CCOCCO)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000282062378 1197547598 /nfs/dbraw/zinc/54/75/98/1197547598.db2.gz AUJPIZLFDSYGCV-UHFFFAOYSA-N 0 3 378.517 0.845 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC3([S@](C)=O)CC3)c2)CC1 ZINC000282070008 1197548018 /nfs/dbraw/zinc/54/80/18/1197548018.db2.gz QTLCLOYLRVLILZ-MHZLTWQESA-N 0 3 392.525 0.794 20 0 GCADHN CCN1CCCN([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000265799950 1197549002 /nfs/dbraw/zinc/54/90/02/1197549002.db2.gz BOCXLFGVEXCIIE-LSDHHAIUSA-N 0 3 382.530 0.927 20 0 GCADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C ZINC000508694959 1197550745 /nfs/dbraw/zinc/55/07/45/1197550745.db2.gz DCUVFQFGBQEIRK-UHFFFAOYSA-N 0 3 393.536 0.724 20 0 GCADHN COCCOc1ncccc1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000508702983 1197553849 /nfs/dbraw/zinc/55/38/49/1197553849.db2.gz GSPIHSXKBFNNSW-OAHLLOKOSA-N 0 3 378.473 0.827 20 0 GCADHN C[C@@H](NC(=O)CNC(=O)COc1ccccc1)C(=O)NCCN1CCCCC1 ZINC000508704222 1197554231 /nfs/dbraw/zinc/55/42/31/1197554231.db2.gz QMBCYVBNJFQQBM-MRXNPFEDSA-N 0 3 390.484 0.288 20 0 GCADHN CCC(CC)[C@H](C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)N1CCOCC1 ZINC000428615238 1197554671 /nfs/dbraw/zinc/55/46/71/1197554671.db2.gz XZJGNKDSLMFLFA-RBUKOAKNSA-N 0 3 394.560 0.794 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000428634210 1197558291 /nfs/dbraw/zinc/55/82/91/1197558291.db2.gz ZJVVEDMHWRSJDE-YRXWBPOGSA-N 0 3 394.560 0.791 20 0 GCADHN NC(=O)Cn1cc(CNCCCN2CCN(c3cccc(Cl)c3)CC2)nn1 ZINC000459399755 1197579105 /nfs/dbraw/zinc/57/91/05/1197579105.db2.gz KDJKZMOMRRZHTA-UHFFFAOYSA-N 0 3 391.907 0.719 20 0 GCADHN CC(=O)N[C@H]1CCCN(C(=O)CNC2(C(N)=O)C3CC4CC(C3)CC2C4)C1 ZINC000459781371 1197587807 /nfs/dbraw/zinc/58/78/07/1197587807.db2.gz SJMHBIYXXKRSRB-ITNKIWFMSA-N 0 3 376.501 0.383 20 0 GCADHN Cc1ncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C3)[nH]1 ZINC000999558752 1198948108 /nfs/dbraw/zinc/94/81/08/1198948108.db2.gz GBEKPDDVDOCDPR-OHFALNGGSA-N 0 3 375.473 0.689 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(C)C)C2)N(C)C ZINC000999546981 1198948517 /nfs/dbraw/zinc/94/85/17/1198948517.db2.gz OFQFNAHRJJPUGC-XAJHFOFHSA-N 0 3 378.517 0.974 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)C2)N(C)C ZINC000999752744 1198972430 /nfs/dbraw/zinc/97/24/30/1198972430.db2.gz BSBUBAMZHOGAHN-VRKREXBASA-N 0 3 375.473 0.562 20 0 GCADHN CC(C)(C)N1CC[C@@](F)(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000999880034 1198984300 /nfs/dbraw/zinc/98/43/00/1198984300.db2.gz YJVPMFSDTYINMI-JQPKUHHSSA-N 0 3 379.476 0.949 20 0 GCADHN Cc1nc2ccnn2cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCN1C ZINC000999947321 1198988120 /nfs/dbraw/zinc/98/81/20/1198988120.db2.gz JMRPMLJVIJCHGZ-BSWAZPDLSA-N 0 3 382.468 0.994 20 0 GCADHN CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000765827219 1198990168 /nfs/dbraw/zinc/99/01/68/1198990168.db2.gz ZLGQGWJFTGCCEM-CABCVRRESA-N 0 3 389.566 0.311 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000265720731 1199001891 /nfs/dbraw/zinc/00/18/91/1199001891.db2.gz YZEQTVCGJJNXLN-INIZCTEOSA-N 0 3 396.513 0.665 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCNC(=O)C(C)(C)C)C1 ZINC000672020358 1199009857 /nfs/dbraw/zinc/00/98/57/1199009857.db2.gz RBSMOOJLCJEUNF-KRWDZBQOSA-N 0 3 388.512 0.998 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2cccs2)C[C@H]1C ZINC000298044417 1199013267 /nfs/dbraw/zinc/01/32/67/1199013267.db2.gz PJXFZOFARYURAQ-UKRRQHHQSA-N 0 3 381.498 0.906 20 0 GCADHN C[C@@H](CNC(=O)NCc1ccc(CS(C)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000465679427 1199019505 /nfs/dbraw/zinc/01/95/05/1199019505.db2.gz DMDVCMWLOXEZMY-INIZCTEOSA-N 0 3 396.557 0.914 20 0 GCADHN CN1CCC(O)(C(=O)N2C[C@@]3(F)C(=O)N(CC(F)(F)F)C[C@@]3(F)C2)CC1 ZINC001272836570 1199022247 /nfs/dbraw/zinc/02/22/47/1199022247.db2.gz LREHPJSUTFUOKD-UONOGXRCSA-N 0 3 385.333 0.106 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC3(C[C@@H]3C(=O)NCC(F)(F)F)CC2)CC1 ZINC001272837260 1199022987 /nfs/dbraw/zinc/02/29/87/1199022987.db2.gz RLWFCINIFVFYEU-GFCCVEGCSA-N 0 3 377.407 0.750 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000172570522 1199035736 /nfs/dbraw/zinc/03/57/36/1199035736.db2.gz CKFOYCOVDMAQCN-ZDUSSCGKSA-N 0 3 375.408 0.731 20 0 GCADHN C[C@@H](NC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)C1=CCN(C)CC1 ZINC000542822847 1199066685 /nfs/dbraw/zinc/06/66/85/1199066685.db2.gz NOCSIQFWCBEMLS-SJORKVTESA-N 0 3 393.532 0.211 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000465836037 1199079988 /nfs/dbraw/zinc/07/99/88/1199079988.db2.gz JYLXCIRAURJRSP-GOSISDBHSA-N 0 3 391.516 0.835 20 0 GCADHN COCCOC[C@H]1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000465834644 1199080139 /nfs/dbraw/zinc/08/01/39/1199080139.db2.gz LIZCKIUXOWEEDZ-DLBZAZTESA-N 0 3 384.521 0.624 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N(CCN(C)C)C(C)C)CC2)nc1 ZINC000656081491 1199093150 /nfs/dbraw/zinc/09/31/50/1199093150.db2.gz VJUWONKOYYELEB-UHFFFAOYSA-N 0 3 377.489 0.953 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000465853544 1199101532 /nfs/dbraw/zinc/10/15/32/1199101532.db2.gz ZPXMRPLHBHBKFK-BEFAXECRSA-N 0 3 379.505 0.241 20 0 GCADHN C[C@H]1Oc2c(cccc2C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)NC1=O ZINC000269009403 1199101656 /nfs/dbraw/zinc/10/16/56/1199101656.db2.gz XALLQEYRSFCDHP-CZUORRHYSA-N 0 3 386.452 0.785 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CC1 ZINC000656104314 1199106380 /nfs/dbraw/zinc/10/63/80/1199106380.db2.gz NJQWUXDBEHNKNU-MRXNPFEDSA-N 0 3 391.520 0.233 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CC[C@@H](c2ccco2)C1 ZINC000672110887 1199107270 /nfs/dbraw/zinc/10/72/70/1199107270.db2.gz XMBNXKNURVBYHG-CVEARBPZSA-N 0 3 390.484 0.654 20 0 GCADHN Cc1ccncc1[C@H](C)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672110869 1199107281 /nfs/dbraw/zinc/10/72/81/1199107281.db2.gz NQVSCENKIOTKKG-RDJZCZTQSA-N 0 3 389.500 0.626 20 0 GCADHN Cc1ccc(CN(C)C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nc1 ZINC000672110861 1199107768 /nfs/dbraw/zinc/10/77/68/1199107768.db2.gz VGRZISWHKPYXBM-KRWDZBQOSA-N 0 3 389.500 0.407 20 0 GCADHN O=C(CN1CCOCC1)N1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000624784955 1199108890 /nfs/dbraw/zinc/10/88/90/1199108890.db2.gz SBDRIMPYPMVUTR-GOSISDBHSA-N 0 3 393.532 0.189 20 0 GCADHN C[C@@H](Cc1ccncc1)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672111670 1199109693 /nfs/dbraw/zinc/10/96/93/1199109693.db2.gz YNIRFHICNYKTBK-DOTOQJQBSA-N 0 3 389.500 0.188 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](O)C(C)C)cc2)CC1 ZINC000172656314 1199123516 /nfs/dbraw/zinc/12/35/16/1199123516.db2.gz BDBKVTKQVCXDQX-SFHVURJKSA-N 0 3 376.501 0.896 20 0 GCADHN Cn1cncc1CNC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCO1 ZINC001078434667 1199129420 /nfs/dbraw/zinc/12/94/20/1199129420.db2.gz OMRRSBAVWFZBLK-XOYOTBSWSA-N 0 3 378.473 0.179 20 0 GCADHN Cn1cc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000172698050 1199144439 /nfs/dbraw/zinc/14/44/39/1199144439.db2.gz WLMOFUBRCXAYTE-SFHVURJKSA-N 0 3 384.484 0.505 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1COc2c(cccc2OC)C1 ZINC000672266946 1199178714 /nfs/dbraw/zinc/17/87/14/1199178714.db2.gz IVLPFRZZVILPHG-OAHLLOKOSA-N 0 3 379.457 0.199 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1COc2c(cccc2OC)C1 ZINC000672269225 1199182151 /nfs/dbraw/zinc/18/21/51/1199182151.db2.gz MTHUMUVNJJGWAS-OAHLLOKOSA-N 0 3 379.457 0.152 20 0 GCADHN CC(C)N1CC[C@H](NCCOCCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1=O ZINC001486495058 1199185268 /nfs/dbraw/zinc/18/52/68/1199185268.db2.gz IFWIOTAMUMEPQV-UFYUIRFASA-N 0 3 379.501 0.484 20 0 GCADHN Cc1c(NC(=O)C(=O)NCCN(C)C)cccc1S(=O)(=O)NC(C)(C)C ZINC000265781711 1199187198 /nfs/dbraw/zinc/18/71/98/1199187198.db2.gz HCOWSWLAQQDBNT-UHFFFAOYSA-N 0 3 384.502 0.688 20 0 GCADHN CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656353583 1199187484 /nfs/dbraw/zinc/18/74/84/1199187484.db2.gz BJNDSSTUOHFBCF-CVEARBPZSA-N 0 3 393.532 0.772 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000656358160 1199189288 /nfs/dbraw/zinc/18/92/88/1199189288.db2.gz IXRGPACWSODLLH-RTBURBONSA-N 0 3 385.512 0.859 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000656358862 1199191024 /nfs/dbraw/zinc/19/10/24/1199191024.db2.gz NALLGSDIDFYUJQ-HOTGVXAUSA-N 0 3 388.468 0.697 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000656360223 1199192015 /nfs/dbraw/zinc/19/20/15/1199192015.db2.gz SHDSHSLEIDPBAD-KZNAEPCWSA-N 0 3 378.517 0.443 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCN1CCOC ZINC000672304131 1199197755 /nfs/dbraw/zinc/19/77/55/1199197755.db2.gz IRNIIYXTCSGAJJ-MSOLQXFVSA-N 0 3 380.533 0.546 20 0 GCADHN COc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)c1 ZINC000672307345 1199199019 /nfs/dbraw/zinc/19/90/19/1199199019.db2.gz VFMVUKSJUWAXFU-QGZVFWFLSA-N 0 3 386.496 0.944 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000672305434 1199199069 /nfs/dbraw/zinc/19/90/69/1199199069.db2.gz OTQXGKUHARDZNX-SJORKVTESA-N 0 3 379.501 0.631 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000672308582 1199199275 /nfs/dbraw/zinc/19/92/75/1199199275.db2.gz UCPJAKSDAOXZLX-KRWDZBQOSA-N 0 3 394.479 0.888 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000672310086 1199200098 /nfs/dbraw/zinc/20/00/98/1199200098.db2.gz GEDMXJAATHFFHW-KZNAEPCWSA-N 0 3 378.517 0.347 20 0 GCADHN CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672306416 1199200402 /nfs/dbraw/zinc/20/04/02/1199200402.db2.gz HSNRYGDYYYDEDT-HNNXBMFYSA-N 0 3 379.505 0.239 20 0 GCADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672307199 1199200438 /nfs/dbraw/zinc/20/04/38/1199200438.db2.gz PJPXAVIWZJTPNA-QFBILLFUSA-N 0 3 385.512 0.887 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000672309782 1199201932 /nfs/dbraw/zinc/20/19/32/1199201932.db2.gz UPLHBNMMKUGISL-INIZCTEOSA-N 0 3 391.903 0.984 20 0 GCADHN COc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672311328 1199202788 /nfs/dbraw/zinc/20/27/88/1199202788.db2.gz DATVLTDDXINIEN-QGZVFWFLSA-N 0 3 386.496 0.944 20 0 GCADHN O=C(NCc1cccnc1OCC(F)F)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672310954 1199203028 /nfs/dbraw/zinc/20/30/28/1199203028.db2.gz PAZILFVNVYAHIH-CQSZACIVSA-N 0 3 382.411 0.942 20 0 GCADHN CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672311624 1199204888 /nfs/dbraw/zinc/20/48/88/1199204888.db2.gz MFCRYPYFMKKKKL-IAGOWNOFSA-N 0 3 378.517 0.598 20 0 GCADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCc2nn(C)c(=O)cc2C1 ZINC000172794746 1199218355 /nfs/dbraw/zinc/21/83/55/1199218355.db2.gz AOBBEGZEHYLYLC-VQIMIIECSA-N 0 3 395.507 0.918 20 0 GCADHN CCN(CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)CC1CC1 ZINC000112983651 1199227191 /nfs/dbraw/zinc/22/71/91/1199227191.db2.gz CSNOXTMOAGOSCN-UHFFFAOYSA-N 0 3 384.502 0.856 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NC1CCN(CCO)CC1 ZINC000672411357 1199229891 /nfs/dbraw/zinc/22/98/91/1199229891.db2.gz BRFFTEHCMLEDPS-KRWDZBQOSA-N 0 3 388.512 0.292 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459848 1199237118 /nfs/dbraw/zinc/23/71/18/1199237118.db2.gz WEKKHARZBBUEHX-CABCVRRESA-N 0 3 387.484 0.081 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459849 1199237559 /nfs/dbraw/zinc/23/75/59/1199237559.db2.gz WEKKHARZBBUEHX-GJZGRUSLSA-N 0 3 387.484 0.081 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)[C@@](C)(O)C1CC1)C(=O)[C@](C)(O)C1CC1 ZINC000672466759 1199241027 /nfs/dbraw/zinc/24/10/27/1199241027.db2.gz BVSUDBZGZMDBLS-RTWAWAEBSA-N 0 3 395.544 0.691 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)c1ccnn1C)C(=O)c1ccnn1C ZINC000672466936 1199241291 /nfs/dbraw/zinc/24/12/91/1199241291.db2.gz LKJPMOYPFBWZIE-UHFFFAOYSA-N 0 3 387.488 0.464 20 0 GCADHN CN1CCN(CCNC(=O)NCc2ccc(N3CCOCC3)nc2)CC1(C)C ZINC000282322250 1199250938 /nfs/dbraw/zinc/25/09/38/1199250938.db2.gz SKXFZMHVOZBITE-UHFFFAOYSA-N 0 3 390.532 0.743 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000672556543 1199270829 /nfs/dbraw/zinc/27/08/29/1199270829.db2.gz KUQILENDPHOZRI-IEBWSBKVSA-N 0 3 398.507 0.846 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000672598515 1199279228 /nfs/dbraw/zinc/27/92/28/1199279228.db2.gz ZYAIAGRNUVNRCS-FGTMMUONSA-N 0 3 380.533 0.737 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000672625838 1199283867 /nfs/dbraw/zinc/28/38/67/1199283867.db2.gz FKLBZUOGCGEDHV-QWHCGFSZSA-N 0 3 390.406 0.353 20 0 GCADHN Cc1cc(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)ncn1 ZINC000672634040 1199286471 /nfs/dbraw/zinc/28/64/71/1199286471.db2.gz WSFKMLYBQMKXSH-IBGZPJMESA-N 0 3 397.479 0.809 20 0 GCADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000672635073 1199287760 /nfs/dbraw/zinc/28/77/60/1199287760.db2.gz SJSLSPJJAVHWLY-AWEZNQCLSA-N 0 3 382.530 0.201 20 0 GCADHN CN(C[C@H]1CC=CCC1)C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000672650466 1199309657 /nfs/dbraw/zinc/30/96/57/1199309657.db2.gz VCOFGGVHQDWFQW-SFHVURJKSA-N 0 3 380.533 0.307 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN(CCOC(C)C)CC1 ZINC000672655168 1199310351 /nfs/dbraw/zinc/31/03/51/1199310351.db2.gz PIZRNMBEOAGZGP-SFHVURJKSA-N 0 3 382.549 0.936 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000672694121 1199314638 /nfs/dbraw/zinc/31/46/38/1199314638.db2.gz NBMUDZSGERVMOG-INIZCTEOSA-N 0 3 377.489 0.618 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000672696278 1199316012 /nfs/dbraw/zinc/31/60/12/1199316012.db2.gz BJIZBVLTMOKUQJ-CHWSQXEVSA-N 0 3 392.422 0.647 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672697584 1199316879 /nfs/dbraw/zinc/31/68/79/1199316879.db2.gz ZJUIELXATJTPCT-IAGOWNOFSA-N 0 3 378.517 0.884 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCCN(c2nc(C)ns2)CC1 ZINC000672698173 1199318618 /nfs/dbraw/zinc/31/86/18/1199318618.db2.gz LRTDAWXUNDONRM-HNNXBMFYSA-N 0 3 394.545 0.876 20 0 GCADHN O=C(NCc1cccc(N2CCOCC2)n1)NC[C@H]1CCN1C1CCOCC1 ZINC000922053431 1199329579 /nfs/dbraw/zinc/32/95/79/1199329579.db2.gz CRJVSJQUVCURKR-GOSISDBHSA-N 0 3 389.500 0.971 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)c1C ZINC000077848435 1199335626 /nfs/dbraw/zinc/33/56/26/1199335626.db2.gz NKJLBJJOLQNXHV-UHFFFAOYSA-N 0 3 376.501 0.748 20 0 GCADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)n2C ZINC000672809830 1199339835 /nfs/dbraw/zinc/33/98/35/1199339835.db2.gz QGOGJNXXDDFIHS-CQSZACIVSA-N 0 3 385.468 0.895 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCOc2cc(OC)ccc21 ZINC000672857499 1199349614 /nfs/dbraw/zinc/34/96/14/1199349614.db2.gz ANHYPCJCBNTINS-INIZCTEOSA-N 0 3 379.457 0.720 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccnn1C ZINC000672854616 1199352183 /nfs/dbraw/zinc/35/21/83/1199352183.db2.gz MKNWENZKRYTXNK-INIZCTEOSA-N 0 3 392.548 0.418 20 0 GCADHN CN(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)[C@@H]1CCCc2c1cnn2C ZINC000672854631 1199352677 /nfs/dbraw/zinc/35/26/77/1199352677.db2.gz QBQPLVZXOGFMFK-MRXNPFEDSA-N 0 3 390.532 0.398 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC000672854560 1199352787 /nfs/dbraw/zinc/35/27/87/1199352787.db2.gz WEEZZSGIAHWFFH-STQMWFEESA-N 0 3 394.438 0.307 20 0 GCADHN COC1(CNC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CCOCC1 ZINC000672995802 1199386561 /nfs/dbraw/zinc/38/65/61/1199386561.db2.gz AVZMBNUVHVMPOB-UHFFFAOYSA-N 0 3 389.496 0.514 20 0 GCADHN CC(C)OCCNC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000673008018 1199393495 /nfs/dbraw/zinc/39/34/95/1199393495.db2.gz YTKDWHHAIHLEOB-UHFFFAOYSA-N 0 3 377.485 0.801 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000466078695 1199412555 /nfs/dbraw/zinc/41/25/55/1199412555.db2.gz OCWOLEBEZCTMMZ-GTPINHCMSA-N 0 3 388.578 0.915 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)NC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000466078696 1199412840 /nfs/dbraw/zinc/41/28/40/1199412840.db2.gz OCWOLEBEZCTMMZ-KLAILNCOSA-N 0 3 388.578 0.915 20 0 GCADHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCC(=O)NCC(F)(F)F)CC1 ZINC000543065402 1199414774 /nfs/dbraw/zinc/41/47/74/1199414774.db2.gz MBVRCNFFWYLDDH-LLVKDONJSA-N 0 3 381.395 0.835 20 0 GCADHN C[C@H](NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000673132417 1199436356 /nfs/dbraw/zinc/43/63/56/1199436356.db2.gz UANXOZZZMPFBHJ-DOTOQJQBSA-N 0 3 397.545 0.811 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1noc3c1COCC3)C2)N(C)C ZINC001003185614 1199443463 /nfs/dbraw/zinc/44/34/63/1199443463.db2.gz FRLALTMFRVNPFL-NGFQHRJXSA-N 0 3 376.457 0.949 20 0 GCADHN COc1cccc(C[C@@H](O)C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000682376861 1199451458 /nfs/dbraw/zinc/45/14/58/1199451458.db2.gz KKMNPYMMKLNVAR-ZWKOTPCHSA-N 0 3 375.469 0.539 20 0 GCADHN CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001272981974 1199451587 /nfs/dbraw/zinc/45/15/87/1199451587.db2.gz KVBOAZPJWRLFOK-DKUMPPAJSA-N 0 3 381.502 0.206 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000673150269 1199454762 /nfs/dbraw/zinc/45/47/62/1199454762.db2.gz ZSFVPQCYXYSSCZ-AWEZNQCLSA-N 0 3 375.473 0.079 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C ZINC000673148496 1199456177 /nfs/dbraw/zinc/45/61/77/1199456177.db2.gz MJYFQKWUFGKOOS-INIZCTEOSA-N 0 3 394.491 0.947 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC000673148890 1199456193 /nfs/dbraw/zinc/45/61/93/1199456193.db2.gz JGDCVJKIUJGKED-HNNXBMFYSA-N 0 3 379.457 0.720 20 0 GCADHN Cc1ncsc1CN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001272982555 1199465254 /nfs/dbraw/zinc/46/52/54/1199465254.db2.gz WGSJDUKLORYGTJ-RHSMWYFYSA-N 0 3 398.554 0.958 20 0 GCADHN C[C@H](CNC(=O)Nc1cnn(CC(=O)NC2CC2)c1)CN1CCN(C)CC1 ZINC000466130127 1199475037 /nfs/dbraw/zinc/47/50/37/1199475037.db2.gz IKCXIAIVWFPUPG-CQSZACIVSA-N 0 3 377.493 0.167 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000466132167 1199481416 /nfs/dbraw/zinc/48/14/16/1199481416.db2.gz BRSOSBXKUZRSGC-KZNAEPCWSA-N 0 3 397.564 0.443 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@H]2CCNC2=O)C3)C1 ZINC001003292475 1199481649 /nfs/dbraw/zinc/48/16/49/1199481649.db2.gz YOHOWOIHOIPJDY-FPCVCCKLSA-N 0 3 376.501 0.493 20 0 GCADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C(C)(C)C)n1)C2 ZINC001003301568 1199486825 /nfs/dbraw/zinc/48/68/25/1199486825.db2.gz MJODAMJXMWKUSG-MQYQWHSLSA-N 0 3 375.477 0.384 20 0 GCADHN CC(C)(C)n1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)n1 ZINC001003303147 1199491270 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C[C@@H]1[C@H](NC(=O)N2CC[C@H](CS(N)(=O)=O)C2)CCN1Cc1ccccc1 ZINC000922501859 1199805327 /nfs/dbraw/zinc/80/53/27/1199805327.db2.gz MJJZDOATJZBCRE-HYVNUMGLSA-N 0 3 380.514 0.969 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000499926272 1199814705 /nfs/dbraw/zinc/81/47/05/1199814705.db2.gz ITYDSKGBZAXDEE-JKSUJKDBSA-N 0 3 383.514 0.923 20 0 GCADHN CO[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000508957778 1199828917 /nfs/dbraw/zinc/82/89/17/1199828917.db2.gz FDRKTBIZQWOKIZ-CQSZACIVSA-N 0 3 390.484 0.816 20 0 GCADHN Cc1nn(C)c(N2CCOCC2)c1CNCC1(O)CCC2(CC1)OCCO2 ZINC000922624124 1199838942 /nfs/dbraw/zinc/83/89/42/1199838942.db2.gz NWVQZLGLRGWXQI-UHFFFAOYSA-N 0 3 380.489 0.703 20 0 GCADHN CCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCN(CC)C[C@@H]3C)O2)[C@@H](C)C1 ZINC000329383990 1199840650 /nfs/dbraw/zinc/84/06/50/1199840650.db2.gz OUGKLBFZNAGWAQ-XLAORIBOSA-N 0 3 380.533 0.639 20 0 GCADHN CCCN(CCN(C)C)C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O ZINC000499985606 1199844628 /nfs/dbraw/zinc/84/46/28/1199844628.db2.gz ZIXQHNZERSPSNW-WBVHZDCISA-N 0 3 385.530 0.823 20 0 GCADHN CN(C)CCN1CC[C@]2(CCN(C(=O)CC3CCS(=O)(=O)CC3)C2)C1=O ZINC001273039441 1199850381 /nfs/dbraw/zinc/85/03/81/1199850381.db2.gz XLXHCUQNIVYKSG-GOSISDBHSA-N 0 3 385.530 0.214 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(OC)cc[nH]c1=O)C2)N(C)C ZINC001004404096 1199876860 /nfs/dbraw/zinc/87/68/60/1199876860.db2.gz RNAZYLIANDXZRE-MQYQWHSLSA-N 0 3 376.457 0.998 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C3)CCC1 ZINC001004446729 1199883127 /nfs/dbraw/zinc/88/31/27/1199883127.db2.gz MREKAXOEGHPUDU-FPCVCCKLSA-N 0 3 376.501 0.635 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000673639310 1199899452 /nfs/dbraw/zinc/89/94/52/1199899452.db2.gz YFGAOEWCXJYWBB-INIZCTEOSA-N 0 3 387.546 0.809 20 0 GCADHN CN(CCCNC(=O)CCN1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000673639456 1199899503 /nfs/dbraw/zinc/89/95/03/1199899503.db2.gz ZRPNYRXXWPFJGM-UHFFFAOYSA-N 0 3 382.530 0.596 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)CC1 ZINC000625108747 1199905511 /nfs/dbraw/zinc/90/55/11/1199905511.db2.gz NRMHTPCVMFYTDJ-OXQOHEQNSA-N 0 3 376.501 0.624 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccn1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001004724330 1199917269 /nfs/dbraw/zinc/91/72/69/1199917269.db2.gz GOHKXJKWLZTWLS-PEXWCYMKSA-N 0 3 382.464 0.807 20 0 GCADHN CC(C)n1nccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000673783900 1199940507 /nfs/dbraw/zinc/94/05/07/1199940507.db2.gz OVQMSYYRRYKIAJ-UHFFFAOYSA-N 0 3 376.461 0.169 20 0 GCADHN C/C=C\C[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000625464160 1199963647 /nfs/dbraw/zinc/96/36/47/1199963647.db2.gz DDTGWPGJORAHPF-KVLZDYKBSA-N 0 3 390.528 0.958 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@H]2CC=CCC2)CC1 ZINC000625464174 1199963723 /nfs/dbraw/zinc/96/37/23/1199963723.db2.gz DGDCENNPODTNFR-KRWDZBQOSA-N 0 3 378.517 0.862 20 0 GCADHN O=C(NCc1nnnn1C1CC1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000673881096 1199967607 /nfs/dbraw/zinc/96/76/07/1199967607.db2.gz XLAXBZQGZKVZOL-WBVHZDCISA-N 0 3 385.472 0.690 20 0 GCADHN COCC(=O)NC1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000673882941 1199968094 /nfs/dbraw/zinc/96/80/94/1199968094.db2.gz YWZPEEZWFWYTOB-UHFFFAOYSA-N 0 3 384.521 0.812 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCn2ccnc2C1 ZINC001004815285 1199970000 /nfs/dbraw/zinc/97/00/00/1199970000.db2.gz QZTYAZYHOCIMEG-ABFRBSLYSA-N 0 3 382.468 0.968 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCc2nccn2C1 ZINC001004815145 1199970146 /nfs/dbraw/zinc/97/01/46/1199970146.db2.gz OVGLYNVMZYSNKL-SRABZTEZSA-N 0 3 382.468 0.968 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn2ncccc12 ZINC001004815125 1199970400 /nfs/dbraw/zinc/97/04/00/1199970400.db2.gz ORVUYFOTBSRADQ-VMGRFDJRSA-N 0 3 379.424 0.865 20 0 GCADHN COc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CC[C@@H](C)C2)cnn1C ZINC001004829647 1199971672 /nfs/dbraw/zinc/97/16/72/1199971672.db2.gz JPNXSRXFXXMQOT-XOUADPBQSA-N 0 3 375.473 0.632 20 0 GCADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)N2CCN(C)[C@@H](C(C)C)C2)CC1 ZINC000625525491 1199999186 /nfs/dbraw/zinc/99/91/86/1199999186.db2.gz VHICTGBLXLUNJH-GOSISDBHSA-N 0 3 394.560 0.888 20 0 GCADHN COc1nn(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C1CC1)N(C)C ZINC001004907471 1200005136 /nfs/dbraw/zinc/00/51/36/1200005136.db2.gz YSMVHQZBQORNHG-OJLVUWQFSA-N 0 3 375.473 0.631 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@]1(C)CCNC1=O)N1CCCC1 ZINC001004911448 1200007691 /nfs/dbraw/zinc/00/76/91/1200007691.db2.gz BHJRBJZAYMEIGE-GXNBUGAJSA-N 0 3 376.501 0.635 20 0 GCADHN CN1C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)N2CCCC2)C3)CC1=O ZINC001004914099 1200009573 /nfs/dbraw/zinc/00/95/73/1200009573.db2.gz RHOLFLFJQQGKIQ-FPCVCCKLSA-N 0 3 376.501 0.587 20 0 GCADHN Cn1cnc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@@H]3CCCN3C)cnc21 ZINC001004912323 1200009686 /nfs/dbraw/zinc/00/96/86/1200009686.db2.gz XSIWYCCBQLDNBR-JHNDHUHGSA-N 0 3 382.468 0.924 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001004914106 1200009814 /nfs/dbraw/zinc/00/98/14/1200009814.db2.gz ROCIPNAUGFEDRV-UUAJXVIYSA-N 0 3 390.528 0.833 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)N2CCCC2)C3)O1 ZINC001004912206 1200009850 /nfs/dbraw/zinc/00/98/50/1200009850.db2.gz GEVZIEZRUFMKDE-HSFUPAIVSA-N 0 3 392.544 0.828 20 0 GCADHN CN1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)N2CCCC2)C3)CC1=O ZINC001004914101 1200009934 /nfs/dbraw/zinc/00/99/34/1200009934.db2.gz RHOLFLFJQQGKIQ-JJXSEGSLSA-N 0 3 376.501 0.587 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CO[C@@H]1CCOC1)N1CCCC1 ZINC001004914759 1200011115 /nfs/dbraw/zinc/01/11/15/1200011115.db2.gz TZBMJEPPAFRNLV-VQHPVUNQSA-N 0 3 379.501 0.914 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001004914837 1200011260 /nfs/dbraw/zinc/01/12/60/1200011260.db2.gz UZPRIUWZXNVRSS-WCVJEAGWSA-N 0 3 376.501 0.730 20 0 GCADHN CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCNC1=O)C2)N1CCCCC1 ZINC001004939370 1200021033 /nfs/dbraw/zinc/02/10/33/1200021033.db2.gz RDLXTJQVHNCKSJ-FPCVCCKLSA-N 0 3 376.501 0.635 20 0 GCADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000625549358 1200028026 /nfs/dbraw/zinc/02/80/26/1200028026.db2.gz LIZPEXJFGNZFSD-SJORKVTESA-N 0 3 378.517 0.979 20 0 GCADHN CC[C@@](O)(C(=O)N1C[C@@]2(F)C(=O)N(CCN(C)C)C[C@@]2(F)C1)C(F)(F)F ZINC001273119522 1200063451 /nfs/dbraw/zinc/06/34/51/1200063451.db2.gz MCLJCGSYYPODTE-MGPQQGTHSA-N 0 3 387.349 0.352 20 0 GCADHN CCCN1CCCN(C(=O)C(=O)NC[C@@H]2CCN2C2CCCCC2)CC1=O ZINC000625595315 1200076794 /nfs/dbraw/zinc/07/67/94/1200076794.db2.gz TYHXPWYXVPVEQC-KRWDZBQOSA-N 0 3 378.517 0.981 20 0 GCADHN CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CCN(CCCN2CCCC2=O)C1 ZINC001033294068 1200115783 /nfs/dbraw/zinc/11/57/83/1200115783.db2.gz IIQAEUBQXXPHCZ-LSTDLKDCSA-N 0 3 379.501 0.583 20 0 GCADHN CCC(C)(C)NC(=O)CNC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1 ZINC001273129154 1200131161 /nfs/dbraw/zinc/13/11/61/1200131161.db2.gz LGOBEATVQOHXDW-YQQAZPJKSA-N 0 3 381.517 0.971 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2nccn4ccnc24)C3)C1 ZINC001005115583 1200179259 /nfs/dbraw/zinc/17/92/59/1200179259.db2.gz QMGIENPLKJNMCB-JJXSEGSLSA-N 0 3 382.468 0.933 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn(-c2ccncc2)c1)c1ncn[nH]1 ZINC001005137246 1200187135 /nfs/dbraw/zinc/18/71/35/1200187135.db2.gz VSDARZKZTGLQIH-KFWWJZLASA-N 0 3 378.396 0.561 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn(-c2ccncc2)c1)c1nc[nH]n1 ZINC001005137246 1200187144 /nfs/dbraw/zinc/18/71/44/1200187144.db2.gz VSDARZKZTGLQIH-KFWWJZLASA-N 0 3 378.396 0.561 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 ZINC000171340002 1200208827 /nfs/dbraw/zinc/20/88/27/1200208827.db2.gz MJYSJFYCXPLUJP-UHFFFAOYSA-N 0 3 386.496 0.903 20 0 GCADHN CN(CCC1CCCCC1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000171352504 1200209655 /nfs/dbraw/zinc/20/96/55/1200209655.db2.gz XNTDWNLQHUKKFR-UHFFFAOYSA-N 0 3 394.560 0.892 20 0 GCADHN CSc1ccncc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000674269338 1200210046 /nfs/dbraw/zinc/21/00/46/1200210046.db2.gz FTONDKQGEHLAAD-UHFFFAOYSA-N 0 3 391.497 0.509 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnccc2SC)CC1 ZINC000674270949 1200210103 /nfs/dbraw/zinc/21/01/03/1200210103.db2.gz SLYIFEXRSYICNV-UHFFFAOYSA-N 0 3 393.513 0.755 20 0 GCADHN COC1CCN(CCNC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000674316502 1200216255 /nfs/dbraw/zinc/21/62/55/1200216255.db2.gz IUFACCOMGLQPLY-UHFFFAOYSA-N 0 3 384.502 0.968 20 0 GCADHN COC1CCN(CCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)CC1 ZINC000674311611 1200218586 /nfs/dbraw/zinc/21/85/86/1200218586.db2.gz HENNAIQCGSQQOW-HLLBOEOZSA-N 0 3 384.546 0.939 20 0 GCADHN COC1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000674325902 1200220972 /nfs/dbraw/zinc/22/09/72/1200220972.db2.gz OYSWHGMFYFPAPU-UHFFFAOYSA-N 0 3 397.497 0.395 20 0 GCADHN COC1CCN(CCNC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000674326582 1200221557 /nfs/dbraw/zinc/22/15/57/1200221557.db2.gz IMLAAUHRBQWORL-CYBMUJFWSA-N 0 3 384.502 0.805 20 0 GCADHN COC1CCN(CCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000674325194 1200221562 /nfs/dbraw/zinc/22/15/62/1200221562.db2.gz WSBJUAPHRBEZFR-SFHVURJKSA-N 0 3 387.484 0.974 20 0 GCADHN COC1CCN(CCNC(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000674328401 1200222556 /nfs/dbraw/zinc/22/25/56/1200222556.db2.gz JMFBRXHYEAMZCS-UHFFFAOYSA-N 0 3 377.489 0.828 20 0 GCADHN COC1CCN(CCNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000674331821 1200224845 /nfs/dbraw/zinc/22/48/45/1200224845.db2.gz JXVFBUWDMGBYEZ-OAHLLOKOSA-N 0 3 378.477 0.326 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(C)o1 ZINC000674358768 1200226990 /nfs/dbraw/zinc/22/69/90/1200226990.db2.gz RKSZVVZWNRTQOX-AWEZNQCLSA-N 0 3 398.485 0.050 20 0 GCADHN NC(=O)c1cccc(OCCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000674357867 1200227507 /nfs/dbraw/zinc/22/75/07/1200227507.db2.gz CEEDJWLECGHFIX-KRWDZBQOSA-N 0 3 388.468 0.495 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4ncccn4n2)C3)C1 ZINC001005419667 1200287133 /nfs/dbraw/zinc/28/71/33/1200287133.db2.gz OVDMOEWOQXMSSE-HWMZRRJGSA-N 0 3 382.468 0.933 20 0 GCADHN C[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)CN1CCN(C)CC1 ZINC000068630610 1200287837 /nfs/dbraw/zinc/28/78/37/1200287837.db2.gz LSFZMFYZDFLFKY-INIZCTEOSA-N 0 3 376.505 0.923 20 0 GCADHN CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001033908555 1200295325 /nfs/dbraw/zinc/29/53/25/1200295325.db2.gz UYOLNZJLTAKTBD-DSLXNQLJSA-N 0 3 376.501 0.937 20 0 GCADHN CN1C(=O)CN(CC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1=O ZINC000625728795 1200298091 /nfs/dbraw/zinc/29/80/91/1200298091.db2.gz GUUUHFBVPBUNTP-UHFFFAOYSA-N 0 3 392.431 0.679 20 0 GCADHN Cc1cc(O)cc(=O)n1CCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000674679208 1200305435 /nfs/dbraw/zinc/30/54/35/1200305435.db2.gz UFRVNXDBPQMDIJ-INIZCTEOSA-N 0 3 376.457 0.193 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CN1C1CC1 ZINC000674689159 1200309453 /nfs/dbraw/zinc/30/94/53/1200309453.db2.gz IJFCHGUWKNWXNL-CHWSQXEVSA-N 0 3 382.486 0.391 20 0 GCADHN Cn1cc(CCN2CCCC[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cn1 ZINC001034326559 1200347085 /nfs/dbraw/zinc/34/70/85/1200347085.db2.gz KMRHPFKPWHXFHK-CADBVGFASA-N 0 3 376.501 0.985 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000675135908 1200354524 /nfs/dbraw/zinc/35/45/24/1200354524.db2.gz AEYVHDQGZLJAKR-CJNGLKHVSA-N 0 3 396.513 0.259 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@H](CO)OC[C@@H]3C)cc2)CC1 ZINC000766099969 1200366302 /nfs/dbraw/zinc/36/63/02/1200366302.db2.gz WPXRAPLKENMTHU-QFBILLFUSA-N 0 3 376.501 0.849 20 0 GCADHN COC1CCN(CCNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000675342151 1200375997 /nfs/dbraw/zinc/37/59/97/1200375997.db2.gz HZBLCPBHEYYNGN-UHFFFAOYSA-N 0 3 397.497 0.222 20 0 GCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000658265837 1200377957 /nfs/dbraw/zinc/37/79/57/1200377957.db2.gz VHHBPCAAVZSWNC-INIZCTEOSA-N 0 3 390.484 0.990 20 0 GCADHN COc1ccc(OC)c([C@H](O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000766145003 1200416910 /nfs/dbraw/zinc/41/69/10/1200416910.db2.gz RRPFVRNZKSWDAA-QZTJIDSGSA-N 0 3 377.485 0.976 20 0 GCADHN CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCN1C1CCCCC1 ZINC001273141079 1200421999 /nfs/dbraw/zinc/42/19/99/1200421999.db2.gz NWJLTNLQXJANAT-YESZJQIVSA-N 0 3 384.546 0.875 20 0 GCADHN Cc1nc2ccnn2cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCN1C ZINC001005732102 1200422466 /nfs/dbraw/zinc/42/24/66/1200422466.db2.gz JMRPMLJVIJCHGZ-SIXLDLHFSA-N 0 3 382.468 0.994 20 0 GCADHN O=C(NCc1ccc(CN[C@@H]2CCC(=O)NC2=O)cc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001034819837 1200424811 /nfs/dbraw/zinc/42/48/11/1200424811.db2.gz DIJXQVYQUQEMMW-JMVPUORKSA-N 0 3 383.448 0.621 20 0 GCADHN CCn1c(CNC(=O)C(=O)NC2CCN(CCOC)CC2)nc2ccccc21 ZINC000785478310 1200424936 /nfs/dbraw/zinc/42/49/36/1200424936.db2.gz OQYWPUPAYGXJEQ-UHFFFAOYSA-N 0 3 387.484 0.899 20 0 GCADHN C[C@H]1C[C@H](NCc2cnc(N3CCN(C)CC3)nc2)C(=O)N1c1cnn(C)c1 ZINC000675553359 1200432339 /nfs/dbraw/zinc/43/23/39/1200432339.db2.gz VUPFFCGAWGSBDI-YOEHRIQHSA-N 0 3 384.488 0.246 20 0 GCADHN C[C@@H]1C[C@@H](NCc2cnc(N3CCN(C)CC3)nc2)C(=O)N1c1cnn(C)c1 ZINC000675553357 1200432493 /nfs/dbraw/zinc/43/24/93/1200432493.db2.gz VUPFFCGAWGSBDI-RHSMWYFYSA-N 0 3 384.488 0.246 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CCSC1 ZINC000675598485 1200442131 /nfs/dbraw/zinc/44/21/31/1200442131.db2.gz LWIGOJPOTOZQOF-RHSMWYFYSA-N 0 3 381.502 0.554 20 0 GCADHN O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000675698486 1200452151 /nfs/dbraw/zinc/45/21/51/1200452151.db2.gz FLFIQSBPFNVYLG-HNNXBMFYSA-N 0 3 377.466 0.555 20 0 GCADHN CCCCOCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129052821 1200457193 /nfs/dbraw/zinc/45/71/93/1200457193.db2.gz OQUPALMCCIURJG-AHCXZYCDSA-N 0 3 387.488 0.963 20 0 GCADHN CC(C)COCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129060098 1200458806 /nfs/dbraw/zinc/45/88/06/1200458806.db2.gz KCGMYQFQAVGWKG-AHCXZYCDSA-N 0 3 387.488 0.819 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2n2ccnn2)O1 ZINC001129113737 1200466082 /nfs/dbraw/zinc/46/60/82/1200466082.db2.gz QOMZQGCMTBZJAP-NCOADZHNSA-N 0 3 390.488 0.233 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000675916576 1200468396 /nfs/dbraw/zinc/46/83/96/1200468396.db2.gz KJRYNAIDGYUFQW-FUHWJXTLSA-N 0 3 399.495 0.195 20 0 GCADHN Cn1cc(-c2cncc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2)cn1 ZINC000675917031 1200468563 /nfs/dbraw/zinc/46/85/63/1200468563.db2.gz SGNXDEXBYAMCER-SFHVURJKSA-N 0 3 382.468 0.861 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000675937426 1200470831 /nfs/dbraw/zinc/47/08/31/1200470831.db2.gz RYCDNWKCYVBQSE-HNNXBMFYSA-N 0 3 386.456 0.058 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000676270613 1200524654 /nfs/dbraw/zinc/52/46/54/1200524654.db2.gz UQBFMMRLWSVPIV-INIZCTEOSA-N 0 3 387.484 0.766 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000676272970 1200525537 /nfs/dbraw/zinc/52/55/37/1200525537.db2.gz RAUKATMIINFZAK-AWEZNQCLSA-N 0 3 375.473 0.623 20 0 GCADHN C[C@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)N(C)Cc1ccccc1 ZINC000676294855 1200538793 /nfs/dbraw/zinc/53/87/93/1200538793.db2.gz LHJYJEPYHKPMQJ-QGZVFWFLSA-N 0 3 375.517 0.922 20 0 GCADHN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676344546 1200545651 /nfs/dbraw/zinc/54/56/51/1200545651.db2.gz DIOAQCHRRSFLRO-YESZJQIVSA-N 0 3 377.485 0.921 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000676344846 1200546404 /nfs/dbraw/zinc/54/64/04/1200546404.db2.gz UHFARAZVNDGRGK-DLBZAZTESA-N 0 3 387.546 0.950 20 0 GCADHN O=C(NCC1CCN(Cc2ccncc2)CC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000666152196 1200558148 /nfs/dbraw/zinc/55/81/48/1200558148.db2.gz QHPSBJZCPJDAOW-INIZCTEOSA-N 0 3 386.456 0.239 20 0 GCADHN CCS(=O)(=O)CCN(C)C(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](N)C1 ZINC001118059094 1200559729 /nfs/dbraw/zinc/55/97/29/1200559729.db2.gz JUMJSXUJWZARAQ-CVEARBPZSA-N 0 3 399.488 0.362 20 0 GCADHN O=C(Cn1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cn1)NC1CCCC1 ZINC000676451988 1200559951 /nfs/dbraw/zinc/55/99/51/1200559951.db2.gz LSNBGTLPCXOMQU-GOSISDBHSA-N 0 3 389.500 0.925 20 0 GCADHN CCc1ncsc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000676615042 1200577297 /nfs/dbraw/zinc/57/72/97/1200577297.db2.gz KXIFDDSDYCPIII-UHFFFAOYSA-N 0 3 379.486 0.411 20 0 GCADHN CCCCCCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129265667 1200595004 /nfs/dbraw/zinc/59/50/04/1200595004.db2.gz AQGALRHHFFGQGY-HZMVEIRTSA-N 0 3 376.505 0.924 20 0 GCADHN CCCN(C)CC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001062291766 1200596194 /nfs/dbraw/zinc/59/61/94/1200596194.db2.gz KCNXPDYMFLFHQW-MJQMVNBJSA-N 0 3 381.517 0.877 20 0 GCADHN CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC(C)(N3CCOCC3)CC2)CCN1C ZINC000625748432 1200600249 /nfs/dbraw/zinc/60/02/49/1200600249.db2.gz YMLPZORZBVDRNH-KRWDZBQOSA-N 0 3 380.533 0.498 20 0 GCADHN COC(=O)[C@]12CN(C(=O)C(=O)N(CCN(C)C)CC(C)C)C[C@H]1COCC2 ZINC000459915176 1200603385 /nfs/dbraw/zinc/60/33/85/1200603385.db2.gz ZRJKIINXPVEWJO-HNAYVOBHSA-N 0 3 383.489 0.071 20 0 GCADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@@H](C)C1 ZINC000560146992 1200625850 /nfs/dbraw/zinc/62/58/50/1200625850.db2.gz GPBWWPVLWJXYRR-XQQFMLRXSA-N 0 3 387.406 1.573 20 0 GCADHN CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)NCC3([NH+](C)C)CC3)C2)cc(=O)[n-]1 ZINC000922994640 1200699958 /nfs/dbraw/zinc/69/99/58/1200699958.db2.gz VICUWNMHEZRHKE-OAHLLOKOSA-N 0 3 391.520 0.558 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N1CCOc2cc(F)ccc2C1 ZINC000625805135 1200717719 /nfs/dbraw/zinc/71/77/19/1200717719.db2.gz DJSPNPZDYWHHLQ-UHFFFAOYSA-N 0 3 392.475 0.643 20 0 GCADHN CSC[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000429294236 1200729309 /nfs/dbraw/zinc/72/93/09/1200729309.db2.gz LVWJIMPPAISNQP-QGZVFWFLSA-N 0 3 398.573 0.064 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000429298603 1200735748 /nfs/dbraw/zinc/73/57/48/1200735748.db2.gz FBHPMJZHZXMQMP-QLFBSQMISA-N 0 3 398.504 0.337 20 0 GCADHN COCCN(C(=O)CN[C@@H]1Cc2cccc(O)c2C1)[C@H]1CCS(=O)(=O)C1 ZINC000429301823 1200754093 /nfs/dbraw/zinc/75/40/93/1200754093.db2.gz OPXMGHFBSDVCFK-CABCVRRESA-N 0 3 382.482 0.111 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000429306194 1200756614 /nfs/dbraw/zinc/75/66/14/1200756614.db2.gz FOJJLKNWCILBDK-HNNXBMFYSA-N 0 3 381.521 0.581 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1nc2cc(Cl)ccn2n1 ZINC000554997981 1200787880 /nfs/dbraw/zinc/78/78/80/1200787880.db2.gz UFBODFKXSPCCSF-UHFFFAOYSA-N 0 3 395.895 0.894 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000370422731 1200824270 /nfs/dbraw/zinc/82/42/70/1200824270.db2.gz GIKWKWJPDYYMBU-SJORKVTESA-N 0 3 383.452 0.849 20 0 GCADHN O=C(NC[C@H]1NCCc2ccccc21)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000581357504 1200825558 /nfs/dbraw/zinc/82/55/58/1200825558.db2.gz CEYSOWSKGRRQBR-QGZVFWFLSA-N 0 3 398.467 0.750 20 0 GCADHN CC(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429340286 1200842981 /nfs/dbraw/zinc/84/29/81/1200842981.db2.gz HQHFVOCDSPVMLD-QZTJIDSGSA-N 0 3 397.541 0.968 20 0 GCADHN COCCCn1ccc(NC(=O)C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000551371227 1200855618 /nfs/dbraw/zinc/85/56/18/1200855618.db2.gz SGEAGONVTIVYNS-HRCADAONSA-N 0 3 377.489 1.047 20 0 GCADHN COC[C@@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccn2)n1 ZINC000426540358 1200893633 /nfs/dbraw/zinc/89/36/33/1200893633.db2.gz PRKXWPZUMUCVKL-OAHLLOKOSA-N 0 3 388.472 1.014 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F ZINC000923264305 1200913443 /nfs/dbraw/zinc/91/34/43/1200913443.db2.gz YUZHUXFYNZMDCH-ZENOOKHLSA-N 0 3 376.432 0.495 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000923273718 1200918925 /nfs/dbraw/zinc/91/89/25/1200918925.db2.gz CULJKWVZMYDOTI-DLBZAZTESA-N 0 3 386.500 0.601 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C3)CCC1 ZINC001006011744 1200923712 /nfs/dbraw/zinc/92/37/12/1200923712.db2.gz IECXEIRJRZVDSC-FPCVCCKLSA-N 0 3 376.501 0.778 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923283059 1200924820 /nfs/dbraw/zinc/92/48/20/1200924820.db2.gz ZJHPAESXELKMHB-CFVMTHIKSA-N 0 3 383.518 0.399 20 0 GCADHN COCCNS(=O)(=O)c1cccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)c1 ZINC000923303586 1200937007 /nfs/dbraw/zinc/93/70/07/1200937007.db2.gz OAPMJLJTBHBRPA-CVEARBPZSA-N 0 3 381.498 0.920 20 0 GCADHN Cc1ccc(NCCCNC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)nc1 ZINC000417073611 1200939538 /nfs/dbraw/zinc/93/95/38/1200939538.db2.gz YHJHMVQCERQJDQ-KRWDZBQOSA-N 0 3 388.516 1.045 20 0 GCADHN CC(C)N(C)CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 ZINC001487239296 1200951847 /nfs/dbraw/zinc/95/18/47/1200951847.db2.gz RVOYPYYBGUOMFY-PDOICOKGSA-N 0 3 379.501 0.724 20 0 GCADHN COc1cc(CN[C@H]2CC(=O)N3CCCC[C@H]23)cc(OC)c1OCC(N)=O ZINC000509407319 1201025013 /nfs/dbraw/zinc/02/50/13/1201025013.db2.gz ZUEFJVBYYFWNOB-UONOGXRCSA-N 0 3 377.441 0.811 20 0 GCADHN COc1cncc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)n1 ZINC000582790143 1201025776 /nfs/dbraw/zinc/02/57/76/1201025776.db2.gz RUMCOUAXPSGFST-UHFFFAOYSA-N 0 3 393.394 1.292 20 0 GCADHN Cc1nnc2c3ccccc3c(NCCCCN3CCN(CCO)CC3)nn12 ZINC000557600759 1201049742 /nfs/dbraw/zinc/04/97/42/1201049742.db2.gz OQLLZRUEZKDLNZ-UHFFFAOYSA-N 0 3 383.500 1.388 20 0 GCADHN Cc1onc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1C ZINC000559667975 1201058730 /nfs/dbraw/zinc/05/87/30/1201058730.db2.gz BTSOSFRKIBZSNK-SJORKVTESA-N 0 3 386.452 1.229 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCN(c2nc(N)ns2)CC1)Cc1ccccc1 ZINC000426236688 1201079758 /nfs/dbraw/zinc/07/97/58/1201079758.db2.gz ICBCYKUYPVWSOC-HNNXBMFYSA-N 0 3 389.529 1.125 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)n1 ZINC000553006545 1201084800 /nfs/dbraw/zinc/08/48/00/1201084800.db2.gz FSXGVJRBBQHXFP-UHFFFAOYSA-N 0 3 398.515 0.852 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000561135667 1201084858 /nfs/dbraw/zinc/08/48/58/1201084858.db2.gz UXOBUVHURMTKKH-INIZCTEOSA-N 0 3 398.515 0.628 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)n1 ZINC000582732553 1201088833 /nfs/dbraw/zinc/08/88/33/1201088833.db2.gz DSGDNXGIXXMKGR-UHFFFAOYSA-N 0 3 398.471 0.469 20 0 GCADHN CC(=O)N1CCN(C(=O)CN2C[C@@H](C[C@H]3COCCN3)c3ccccc32)CC1 ZINC000923540583 1201093797 /nfs/dbraw/zinc/09/37/97/1201093797.db2.gz BLRLHAYAWSBCQA-MSOLQXFVSA-N 0 3 386.496 0.659 20 0 GCADHN CC(C)CN(C(=O)c1nc(N)nc(N2CCOCC2)n1)C1CCN(C)CC1 ZINC000577498000 1201102809 /nfs/dbraw/zinc/10/28/09/1201102809.db2.gz GIVCLBMNTRUHDC-UHFFFAOYSA-N 0 3 377.493 0.483 20 0 GCADHN COCc1ncc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)c(N)n1 ZINC000412780523 1201109787 /nfs/dbraw/zinc/10/97/87/1201109787.db2.gz QNNJYFRAQGHNML-UHFFFAOYSA-N 0 3 385.468 0.962 20 0 GCADHN C[C@@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)N(C)Cc1ccccc1 ZINC000568771545 1201114244 /nfs/dbraw/zinc/11/42/44/1201114244.db2.gz YOOFCNSBVJGXOE-AWEZNQCLSA-N 0 3 385.472 0.541 20 0 GCADHN COCc1ncc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(N)n1 ZINC000503829532 1201115689 /nfs/dbraw/zinc/11/56/89/1201115689.db2.gz OSFPRVRITCGJRP-WBVHZDCISA-N 0 3 385.468 0.818 20 0 GCADHN Nc1nc(CN2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)nc2ccccc12 ZINC000581368678 1201148015 /nfs/dbraw/zinc/14/80/15/1201148015.db2.gz WKJDGPXAIQZMSI-HNNXBMFYSA-N 0 3 384.484 0.625 20 0 GCADHN CCN1CC[C@@H](NCC2(O)CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1=O ZINC000946924190 1201148829 /nfs/dbraw/zinc/14/88/29/1201148829.db2.gz DOYVFYJDDLJNTA-MWDXBVQZSA-N 0 3 379.501 0.365 20 0 GCADHN COc1ccc([C@H](CNS(=O)(=O)N2CCNCC2)N2CCCCC2)cc1 ZINC000923577898 1201151881 /nfs/dbraw/zinc/15/18/81/1201151881.db2.gz AIVJOMCYICXWKM-SFHVURJKSA-N 0 3 382.530 0.962 20 0 GCADHN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCNCC3)CC2)cc1F ZINC000923589810 1201170293 /nfs/dbraw/zinc/17/02/93/1201170293.db2.gz UZZJJDDPKPNWOH-UHFFFAOYSA-N 0 3 398.504 0.612 20 0 GCADHN Cc1cccc(N2CCN(CCCNS(=O)(=O)N3CCNCC3)CC2)c1 ZINC000923590697 1201171831 /nfs/dbraw/zinc/17/18/31/1201171831.db2.gz ZXQFURRVZCWPHW-UHFFFAOYSA-N 0 3 381.546 0.247 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000136815545 1201188216 /nfs/dbraw/zinc/18/82/16/1201188216.db2.gz XWEQUXAPVXYJII-FQEVSTJZSA-N 0 3 399.539 0.993 20 0 GCADHN CNC(=O)c1ccn([C@@H]2CCCN(C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)C2)n1 ZINC000486564358 1201193089 /nfs/dbraw/zinc/19/30/89/1201193089.db2.gz UBUSDHLMPMGLPM-VQHPVUNQSA-N 0 3 379.505 0.350 20 0 GCADHN COC(=O)c1nc2nc(C)cc(N3CCC(N4CCC[C@@H]4C(N)=O)CC3)n2n1 ZINC000611242209 1201225210 /nfs/dbraw/zinc/22/52/10/1201225210.db2.gz DSROZZHFCXBKMA-CYBMUJFWSA-N 0 3 387.444 0.138 20 0 GCADHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)N(CCO)CCN1CCOCC1 ZINC000489800751 1201238165 /nfs/dbraw/zinc/23/81/65/1201238165.db2.gz CBYBPHMMQLXJDE-IBGZPJMESA-N 0 3 376.501 0.597 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC1 ZINC000611455969 1201239222 /nfs/dbraw/zinc/23/92/22/1201239222.db2.gz GMZPSOLDIDQQJV-GFCCVEGCSA-N 0 3 396.513 0.924 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC1 ZINC000611455970 1201239240 /nfs/dbraw/zinc/23/92/40/1201239240.db2.gz GMZPSOLDIDQQJV-LBPRGKRZSA-N 0 3 396.513 0.924 20 0 GCADHN C[C@H](CCN1CCN(c2cnccn2)CC1)N1CCN(c2cnccn2)CC1 ZINC000269274376 1201251448 /nfs/dbraw/zinc/25/14/48/1201251448.db2.gz KUHGDCRSRFLNJD-GOSISDBHSA-N 0 3 382.516 0.989 20 0 GCADHN CCN(C(=O)C1(N(C)C)CCC1)C1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001079942369 1201262953 /nfs/dbraw/zinc/26/29/53/1201262953.db2.gz FGJKIRROPFTIFS-BHYGNILZSA-N 0 3 379.501 0.582 20 0 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CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@@H]3CCCN3C)C2)no1 ZINC000532807741 1201368374 /nfs/dbraw/zinc/36/83/74/1201368374.db2.gz VMGKDLIXZOQXKG-GJZGRUSLSA-N 0 3 378.477 0.859 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000533456302 1201368527 /nfs/dbraw/zinc/36/85/27/1201368527.db2.gz FNTWKXOVENTNIB-OAHLLOKOSA-N 0 3 392.504 0.636 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN(C)CCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000533597101 1201369456 /nfs/dbraw/zinc/36/94/56/1201369456.db2.gz VQISGFWGZIHAOC-BZUAXINKSA-N 0 3 375.469 0.685 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCc2cccc(C)n2)CC1 ZINC000284167332 1201376040 /nfs/dbraw/zinc/37/60/40/1201376040.db2.gz FZODFVMCRSXEFF-INIZCTEOSA-N 0 3 375.517 0.439 20 0 GCADHN O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCO[C@@H]2CN(CCC3CC3)C[C@@H]21 ZINC001083151335 1201393313 /nfs/dbraw/zinc/39/33/13/1201393313.db2.gz UZQRXGDOALSBIH-FUMNGEBKSA-N 0 3 393.528 0.578 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@H](C3OCCO3)C2)CC1 ZINC000728052646 1201394382 /nfs/dbraw/zinc/39/43/82/1201394382.db2.gz ABNIADCXWCWXJL-INIZCTEOSA-N 0 3 396.532 0.130 20 0 GCADHN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000728072935 1201397149 /nfs/dbraw/zinc/39/71/49/1201397149.db2.gz NCGQGFDCRXERQY-AWEZNQCLSA-N 0 3 379.461 0.188 20 0 GCADHN Cc1cn2ccnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)CN3CCCC3)c2n1 ZINC001006207081 1201405752 /nfs/dbraw/zinc/40/57/52/1201405752.db2.gz YIJNHJNKLFIANG-OAGGEKHMSA-N 0 3 382.468 0.995 20 0 GCADHN Cc1noc(CCCN2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447264 1201412099 /nfs/dbraw/zinc/41/20/99/1201412099.db2.gz GMZZDZDTQKJJOS-MWQQHZPXSA-N 0 3 377.489 0.562 20 0 GCADHN CC[C@@H]1C(=O)NCCN1CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000730256300 1201440929 /nfs/dbraw/zinc/44/09/29/1201440929.db2.gz AYEIIJXULPYFSH-UTKZUKDTSA-N 0 3 399.495 0.741 20 0 GCADHN CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000730388937 1201448520 /nfs/dbraw/zinc/44/85/20/1201448520.db2.gz HBAOXRWESKCUFH-QGZVFWFLSA-N 0 3 387.484 0.504 20 0 GCADHN CN(C)CCN(CCc1ccccc1)C(=O)NCCCN1C(=O)CNC1=O ZINC000731118292 1201471675 /nfs/dbraw/zinc/47/16/75/1201471675.db2.gz QDBQVRXNZXJRIB-UHFFFAOYSA-N 0 3 375.473 0.744 20 0 GCADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1 ZINC000731466959 1201485038 /nfs/dbraw/zinc/48/50/38/1201485038.db2.gz VPHIKKMJPRBASV-OAHLLOKOSA-N 0 3 393.447 0.765 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]3CCN(CCN4CCCC4=O)[C@H]3C2)C1 ZINC001084942905 1201502574 /nfs/dbraw/zinc/50/25/74/1201502574.db2.gz VNJAAJIUZXUCTR-VQHPVUNQSA-N 0 3 376.501 0.446 20 0 GCADHN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNC2(CO)CCOCC2)C1=O ZINC000731847626 1201504738 /nfs/dbraw/zinc/50/47/38/1201504738.db2.gz YMDMGDMELPVPTN-LJQANCHMSA-N 0 3 390.440 0.006 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CCN(Cc4n[nH]c(C5CC5)n4)[C@H]3C2)O1 ZINC001084969915 1201514329 /nfs/dbraw/zinc/51/43/29/1201514329.db2.gz FBOHZUMENQGSPA-TXCZRRACSA-N 0 3 388.516 0.824 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC000732114468 1201522686 /nfs/dbraw/zinc/52/26/86/1201522686.db2.gz NIIPREBNZQPXQG-INIZCTEOSA-N 0 3 391.438 0.656 20 0 GCADHN COC(=O)N(C)CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000732113127 1201522939 /nfs/dbraw/zinc/52/29/39/1201522939.db2.gz LYNDLFVIELRWLF-UHFFFAOYSA-N 0 3 376.457 0.827 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CCC(=O)NCCNC(C)=O)cc2)CC1 ZINC000732263544 1201530426 /nfs/dbraw/zinc/53/04/26/1201530426.db2.gz RAEWISBGLZTSIZ-UHFFFAOYSA-N 0 3 389.500 0.800 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001084994690 1201531756 /nfs/dbraw/zinc/53/17/56/1201531756.db2.gz JOVSHVZZXQRTOS-WCVJEAGWSA-N 0 3 378.473 0.276 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001084993280 1201533156 /nfs/dbraw/zinc/53/31/56/1201533156.db2.gz WSRLAIJAYINBHR-KKTQNZDYSA-N 0 3 387.480 0.482 20 0 GCADHN CC(C)(C)OC(=O)NCCOCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000732554472 1201548243 /nfs/dbraw/zinc/54/82/43/1201548243.db2.gz UMUGIWWZFFWXIE-UHFFFAOYSA-N 0 3 398.504 0.294 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCN(C(=O)C3(C)CCS(=O)(=O)CC3)C2)C1=O ZINC001273257586 1201563690 /nfs/dbraw/zinc/56/36/90/1201563690.db2.gz MYHSLRKXKGKNOD-SFHVURJKSA-N 0 3 385.530 0.214 20 0 GCADHN CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CN1CCN(C2CCC2)CC1 ZINC000733298043 1201585040 /nfs/dbraw/zinc/58/50/40/1201585040.db2.gz QLFNUVZNQHQTQZ-UHFFFAOYSA-N 0 3 394.497 0.972 20 0 GCADHN CC(=O)N1CCc2ccc(S(=O)(=O)NCCN3CCN(C)C(C)(C)C3)cc21 ZINC000282554794 1201611340 /nfs/dbraw/zinc/61/13/40/1201611340.db2.gz NYHGDJQJVXJUKL-UHFFFAOYSA-N 0 3 394.541 0.900 20 0 GCADHN Cc1[nH]cnc1CC(=O)NC[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCO1 ZINC001065396754 1201626071 /nfs/dbraw/zinc/62/60/71/1201626071.db2.gz SMLPHMXQFYWQBT-YRBFXIGRSA-N 0 3 376.457 0.419 20 0 GCADHN CN(C)C1(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCO2)CCC1 ZINC001065396617 1201626255 /nfs/dbraw/zinc/62/62/55/1201626255.db2.gz 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0.678 20 0 GCADHN NS(=O)(=O)c1ccc(F)c(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000734527298 1201654336 /nfs/dbraw/zinc/65/43/36/1201654336.db2.gz OUSNJUPBCDNXEB-OLZOCXBDSA-N 0 3 386.449 0.136 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000734997882 1201669693 /nfs/dbraw/zinc/66/96/93/1201669693.db2.gz DDKCSHIVJDHCHJ-UHFFFAOYSA-N 0 3 399.495 0.152 20 0 GCADHN Cn1cc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000735036017 1201674055 /nfs/dbraw/zinc/67/40/55/1201674055.db2.gz LFNMZFZXVFKCNF-SFHVURJKSA-N 0 3 399.495 0.193 20 0 GCADHN Cn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001085360552 1201685546 /nfs/dbraw/zinc/68/55/46/1201685546.db2.gz MBTCZMGMTBYEOK-VDHUWJSZSA-N 0 3 387.488 0.634 20 0 GCADHN NC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)cc1 ZINC000735512990 1201690502 /nfs/dbraw/zinc/69/05/02/1201690502.db2.gz LZHBFMQZSUKTRW-ROUUACIJSA-N 0 3 387.484 0.480 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000735587912 1201692988 /nfs/dbraw/zinc/69/29/88/1201692988.db2.gz PDAVQEUDRUZQNH-ZIAGYGMSSA-N 0 3 387.415 0.929 20 0 GCADHN Cn1cnnc1-c1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735591270 1201694628 /nfs/dbraw/zinc/69/46/28/1201694628.db2.gz YZFNEZYWQUGYGB-HZPDHXFCSA-N 0 3 384.440 0.400 20 0 GCADHN CCOc1ccc(C[C@@H](CNS(=O)(=O)N2CCNCC2)C(=O)OC)cc1 ZINC000923600347 1201696976 /nfs/dbraw/zinc/69/69/76/1201696976.db2.gz SNAHYCMAYSEEGI-HNNXBMFYSA-N 0 3 385.486 0.157 20 0 GCADHN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@@H](CO)C(C)(C)C)C1=O ZINC000735873296 1201703602 /nfs/dbraw/zinc/70/36/02/1201703602.db2.gz HRFQWCQNKREDHV-IFXJQAMLSA-N 0 3 376.457 0.872 20 0 GCADHN Cn1cnc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@@H]3CCCN3C)nc21 ZINC001006254600 1201705884 /nfs/dbraw/zinc/70/58/84/1201705884.db2.gz HOEFIWBFQHDSEE-VZEFYGNVSA-N 0 3 382.468 0.924 20 0 GCADHN CN(C)S(=O)(=O)N1CC[C@H]2CN(C(=O)CN(C)C3CCCC3)C[C@H]2CC1 ZINC001273344033 1201717415 /nfs/dbraw/zinc/71/74/15/1201717415.db2.gz TUXAUOMYDNRGGI-IYBDPMFKSA-N 0 3 386.562 0.838 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)N(CCO)C2CCN(C)CC2)ccc1OC ZINC000828753977 1201719982 /nfs/dbraw/zinc/71/99/82/1201719982.db2.gz HGMBZDUOHFWEPG-UHFFFAOYSA-N 0 3 385.486 0.132 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)N1CCCCC1 ZINC000737137981 1201721366 /nfs/dbraw/zinc/72/13/66/1201721366.db2.gz GQXVEBPMWCNMME-GFCCVEGCSA-N 0 3 375.408 0.731 20 0 GCADHN CCc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1S(N)(=O)=O ZINC000737140311 1201722393 /nfs/dbraw/zinc/72/23/93/1201722393.db2.gz XEZQEQOWQMDCCV-CYBMUJFWSA-N 0 3 396.513 0.826 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC3(O)CCOCC3)cc2)CC1 ZINC000737268825 1201726714 /nfs/dbraw/zinc/72/67/14/1201726714.db2.gz UZBUPNIBMKTLNA-UHFFFAOYSA-N 0 3 390.484 0.425 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccnn1-c1ccccc1)CN1CCN(C)CC1 ZINC000179097569 1201732334 /nfs/dbraw/zinc/73/23/34/1201732334.db2.gz MEBQFENRPSCALH-MRXNPFEDSA-N 0 3 384.484 0.811 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)N[C@](CC)(C(C)C)C2=O)CC1 ZINC000738038305 1201733003 /nfs/dbraw/zinc/73/30/03/1201733003.db2.gz DEMRUJWNOJVYNX-LJQANCHMSA-N 0 3 381.521 0.787 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000738161710 1201734637 /nfs/dbraw/zinc/73/46/37/1201734637.db2.gz SXLVJRZKYBWIRR-UHFFFAOYSA-N 0 3 376.501 0.893 20 0 GCADHN CN(CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O)[C@H]1CCN(C)C1=O ZINC000738273579 1201735871 /nfs/dbraw/zinc/73/58/71/1201735871.db2.gz OERGNKKHGNYWJK-LAUBAEHRSA-N 0 3 399.495 0.693 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCCN(C[C@H]3CCCO3)CC2)CC1 ZINC000738318184 1201735884 /nfs/dbraw/zinc/73/58/84/1201735884.db2.gz PNJKQICZLSVFPN-QZTJIDSGSA-N 0 3 396.532 0.862 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CCS(=O)(=O)C[C@@H]3C)cc2)CC1 ZINC000739913930 1201743632 /nfs/dbraw/zinc/74/36/32/1201743632.db2.gz ULBGIZINWRXPND-INIZCTEOSA-N 0 3 394.541 0.886 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC2(CCCC2)C1 ZINC000804260195 1201746311 /nfs/dbraw/zinc/74/63/11/1201746311.db2.gz DIPZDWPDGNTTHP-MRXNPFEDSA-N 0 3 378.517 0.838 20 0 GCADHN COCCCN1CCN([C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1 ZINC001273375760 1201752802 /nfs/dbraw/zinc/75/28/02/1201752802.db2.gz SRPQIQBAOZQVAY-CADBVGFASA-N 0 3 381.517 0.293 20 0 GCADHN CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001066358327 1201774862 /nfs/dbraw/zinc/77/48/62/1201774862.db2.gz CUBYQNKUBZPYAE-MJQMVNBJSA-N 0 3 381.517 0.877 20 0 GCADHN C[C@H]1CN(CCNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CCO1 ZINC000741408110 1201778144 /nfs/dbraw/zinc/77/81/44/1201778144.db2.gz OPWCSMWJAWPHIE-PXNSSMCTSA-N 0 3 376.501 0.643 20 0 GCADHN CC[C@H](C(=O)N1CCC(NS(=O)(=O)N2CCNCC2)CC1)c1ccccc1 ZINC000923601606 1201780379 /nfs/dbraw/zinc/78/03/79/1201780379.db2.gz STYJUOCGYAOSRA-SFHVURJKSA-N 0 3 394.541 0.911 20 0 GCADHN CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn[nH]n2)C1 ZINC001006290072 1201816626 /nfs/dbraw/zinc/81/66/26/1201816626.db2.gz PSQWZNUZYPWYFT-LSIMKLPESA-N 0 3 378.452 0.879 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCNC(=O)[C@H]1c1cccs1)C2=O ZINC000743383534 1201817013 /nfs/dbraw/zinc/81/70/13/1201817013.db2.gz CZOONIRHJCFKJB-CYBMUJFWSA-N 0 3 377.470 0.195 20 0 GCADHN C[C@@H]1CCN(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCN2CCOCC2)C1 ZINC001006290859 1201817580 /nfs/dbraw/zinc/81/75/80/1201817580.db2.gz YFGADEQNQKZSBK-TVFCKZIOSA-N 0 3 378.517 0.299 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000743979193 1201831548 /nfs/dbraw/zinc/83/15/48/1201831548.db2.gz DKELXUBWGRTWFN-HNNXBMFYSA-N 0 3 388.468 0.698 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000743978523 1201831560 /nfs/dbraw/zinc/83/15/60/1201831560.db2.gz JUCQGISNHWEVJJ-HNNXBMFYSA-N 0 3 388.468 0.698 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1OCC(N)=O ZINC000743979572 1201831607 /nfs/dbraw/zinc/83/16/07/1201831607.db2.gz HLYCEQVUSTZQQW-GFCCVEGCSA-N 0 3 378.429 0.098 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000743983037 1201832296 /nfs/dbraw/zinc/83/22/96/1201832296.db2.gz UCQPORHDYGKPDM-CQSZACIVSA-N 0 3 397.497 0.649 20 0 GCADHN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1 ZINC000743981561 1201832915 /nfs/dbraw/zinc/83/29/15/1201832915.db2.gz KNYFXZPKWOBSKL-AWEZNQCLSA-N 0 3 397.497 0.646 20 0 GCADHN COC(=O)CCN(CC(=O)N1CCN(c2cnccn2)CC1)C1CCOCC1 ZINC000744428385 1201843380 /nfs/dbraw/zinc/84/33/80/1201843380.db2.gz KGKMNTWZSBVORX-UHFFFAOYSA-N 0 3 391.472 0.169 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)COC(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000744941403 1201858980 /nfs/dbraw/zinc/85/89/80/1201858980.db2.gz KEUGXKSXTMNYQU-UHFFFAOYSA-N 0 3 377.441 0.654 20 0 GCADHN O=C(CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1)N1CCNC(=O)C1 ZINC001086436983 1201876117 /nfs/dbraw/zinc/87/61/17/1201876117.db2.gz FOEFLUZZMSBXLW-QUSNUVHPSA-N 0 3 376.501 0.256 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)COCCNC(=O)OC(C)(C)C)CC1 ZINC000766334586 1201888407 /nfs/dbraw/zinc/88/84/07/1201888407.db2.gz VDFUYFPNBHLFOR-HNNXBMFYSA-N 0 3 398.504 0.293 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCN2CCCC2)CC1 ZINC000183375360 1201898359 /nfs/dbraw/zinc/89/83/59/1201898359.db2.gz RULLJWQVNALXEC-UHFFFAOYSA-N 0 3 384.502 0.904 20 0 GCADHN CNC(=O)c1ccc(CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C2CC2)cc1 ZINC000746116706 1201900275 /nfs/dbraw/zinc/90/02/75/1201900275.db2.gz ZHYILQAATWCPAI-QGZVFWFLSA-N 0 3 386.496 0.947 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1=O ZINC000746150219 1201901635 /nfs/dbraw/zinc/90/16/35/1201901635.db2.gz SHVJNKCBJPTDPM-HUUCEWRRSA-N 0 3 382.505 0.912 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1=O ZINC000746194304 1201902361 /nfs/dbraw/zinc/90/23/61/1201902361.db2.gz MVRVCASRQHWFCK-LSDHHAIUSA-N 0 3 382.505 0.770 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Oc2ccc(NC(=O)c3cnn(C)c3)cc2)CC1=O ZINC000746210304 1201902895 /nfs/dbraw/zinc/90/28/95/1201902895.db2.gz MZVILHRUCSHLMA-AWEZNQCLSA-N 0 3 399.451 0.988 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1=O ZINC000746290210 1201905509 /nfs/dbraw/zinc/90/55/09/1201905509.db2.gz JFLMFBYRSAQVRP-LSDHHAIUSA-N 0 3 382.505 0.816 20 0 GCADHN CC(C)c1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)n1 ZINC000186048388 1201907706 /nfs/dbraw/zinc/90/77/06/1201907706.db2.gz IHDSVVBMIMYSKJ-MRXNPFEDSA-N 0 3 388.516 0.659 20 0 GCADHN CCC1(CC)CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000186538559 1201907961 /nfs/dbraw/zinc/90/79/61/1201907961.db2.gz CFUQLHAOGXLNOG-UHFFFAOYSA-N 0 3 394.560 0.892 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000189778160 1201909919 /nfs/dbraw/zinc/90/99/19/1201909919.db2.gz ANIYISFUGCUBSM-OALUTQOASA-N 0 3 392.544 0.524 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000048842127 1201912361 /nfs/dbraw/zinc/91/23/61/1201912361.db2.gz CXUYXZPKAGHDSB-SFHVURJKSA-N 0 3 379.526 0.875 20 0 GCADHN Cn1cc(C[C@@H]2CC(=O)N(CN3CCC(CN4CCOCC4)CC3)C2=O)cn1 ZINC000746373502 1201915191 /nfs/dbraw/zinc/91/51/91/1201915191.db2.gz TWLCPPIAIGVUSP-GOSISDBHSA-N 0 3 389.500 0.339 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2sccc2-n2cnnn2)CC1 ZINC000103123649 1201917766 /nfs/dbraw/zinc/91/77/66/1201917766.db2.gz GDMQEEPRGFYFLA-UHFFFAOYSA-N 0 3 375.458 0.104 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 ZINC000103122317 1201917785 /nfs/dbraw/zinc/91/77/85/1201917785.db2.gz CCKDVSMFCYZTHF-QGZVFWFLSA-N 0 3 376.501 0.402 20 0 GCADHN CC(C)CN1N=C(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCC1=O ZINC000766371712 1201921158 /nfs/dbraw/zinc/92/11/58/1201921158.db2.gz GDWWWRYHLBRPKJ-INIZCTEOSA-N 0 3 379.505 0.680 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c1C ZINC000766493111 1201926702 /nfs/dbraw/zinc/92/67/02/1201926702.db2.gz CTCKQQBDUAAKNV-LBPRGKRZSA-N 0 3 382.486 0.442 20 0 GCADHN CCOC(=O)c1sc2nc(CN(C)C)nc(-n3nnnc3CN)c2c1C ZINC001168920382 1201928583 /nfs/dbraw/zinc/92/85/83/1201928583.db2.gz FDPHZDCDKSDUPP-UHFFFAOYSA-N 0 3 376.446 0.672 20 0 GCADHN CO[C@H]1CN([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1F ZINC001169190363 1201935014 /nfs/dbraw/zinc/93/50/14/1201935014.db2.gz FVNATPDTWJBEFB-IHRRRGAJSA-N 0 3 381.452 0.661 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001169191432 1201935142 /nfs/dbraw/zinc/93/51/42/1201935142.db2.gz NNOMLTXVLYCOIW-KFWWJZLASA-N 0 3 395.479 0.645 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[C@@](F)(CO)C1 ZINC001169194147 1201935603 /nfs/dbraw/zinc/93/56/03/1201935603.db2.gz ZZBMVVTXWRALNL-ACJLOTCBSA-N 0 3 381.452 0.399 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)Cc1cnccn1 ZINC001169202414 1201936724 /nfs/dbraw/zinc/93/67/24/1201936724.db2.gz PYLFJKQRDVNDPA-AWEZNQCLSA-N 0 3 385.472 0.915 20 0 GCADHN CCN([C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H](C)C(=O)OC ZINC001169215635 1201938794 /nfs/dbraw/zinc/93/87/94/1201938794.db2.gz BTSYSKNMMPICRF-KBPBESRZSA-N 0 3 393.488 0.876 20 0 GCADHN CCOC(=O)[C@H]1CC[C@@H](NCc2cc(N3CCS(=O)(=O)CC3)ccn2)CO1 ZINC001169355429 1201943928 /nfs/dbraw/zinc/94/39/28/1201943928.db2.gz FBTMOGIHXDZWEI-RHSMWYFYSA-N 0 3 397.497 0.517 20 0 GCADHN CCOC(=O)[C@H]1CC[C@H](N2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)CO1 ZINC001169392274 1201945562 /nfs/dbraw/zinc/94/55/62/1201945562.db2.gz PLOPDYRJDGFACE-YYAJDYIMSA-N 0 3 383.489 0.992 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](N2C[C@@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)CO1 ZINC001169392349 1201945708 /nfs/dbraw/zinc/94/57/08/1201945708.db2.gz PVUCFRPIAMDAPS-RKYPPNDESA-N 0 3 391.468 0.565 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)CO1 ZINC001169397456 1201945998 /nfs/dbraw/zinc/94/59/98/1201945998.db2.gz NSCGZILTIREMPZ-IKGGRYGDSA-N 0 3 390.484 0.969 20 0 GCADHN CCN(CC)C(=O)C[C@@H](C)N(Cc1ncn2c1CNCCC2)S(C)(=O)=O ZINC001169468161 1201949284 /nfs/dbraw/zinc/94/92/84/1201949284.db2.gz UYBGWQBABCNNQX-CQSZACIVSA-N 0 3 385.534 0.785 20 0 GCADHN CC(=O)N1CC[C@@H](N[C@@H]2CCS(=O)(=O)C23CN(C(=O)OC(C)(C)C)C3)C1 ZINC001169497585 1201949726 /nfs/dbraw/zinc/94/97/26/1201949726.db2.gz YGGAEPSOVLVVRX-ZIAGYGMSSA-N 0 3 387.502 0.373 20 0 GCADHN CC(=O)N1CC[C@@H](N2CCc3ncc(CNC(=O)c4cnn(C)c4)n3CC2)C1 ZINC001169545757 1201951623 /nfs/dbraw/zinc/95/16/23/1201951623.db2.gz MJLUECCWHCPATP-MRXNPFEDSA-N 0 3 385.472 0.026 20 0 GCADHN CC(=O)N1CCC[C@H](N2C[C@@H](NC(=O)c3cnccn3)[C@H]3OCCC[C@H]3C2)C1 ZINC001169606847 1201952366 /nfs/dbraw/zinc/95/23/66/1201952366.db2.gz XQZLRPZLNIICCW-DKKFBQAASA-N 0 3 387.484 0.697 20 0 GCADHN CC(=O)N1CCC[C@H](N2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)C1 ZINC001169611329 1201953342 /nfs/dbraw/zinc/95/33/42/1201953342.db2.gz QEWZVUZFMNCSGN-FPOVZHCZSA-N 0 3 399.495 0.732 20 0 GCADHN CC(=O)N1CCC[C@@H](N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)C1 ZINC001169616748 1201953458 /nfs/dbraw/zinc/95/34/58/1201953458.db2.gz YLHZKYCYELKVEU-YYIAUSFCSA-N 0 3 375.473 0.393 20 0 GCADHN CN(C)Cc1cc(=O)n2c(n1)CN(C1CCC(S(C)(=O)=O)CC1)CCC2 ZINC001169879524 1201958148 /nfs/dbraw/zinc/95/81/48/1201958148.db2.gz DJQUOJPYAWPOJA-UHFFFAOYSA-N 0 3 382.530 0.866 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)C(C)(CO)CO)CC1 ZINC000767102381 1201965973 /nfs/dbraw/zinc/96/59/73/1201965973.db2.gz PKGVDCPGCXEHGG-UHFFFAOYSA-N 0 3 378.469 0.563 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1)C1CCOCC1 ZINC001108849202 1201975024 /nfs/dbraw/zinc/97/50/24/1201975024.db2.gz JOOAYLNPCQBZJY-FPAYPSAMSA-N 0 3 382.501 0.691 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1cccs1 ZINC001108872063 1201977212 /nfs/dbraw/zinc/97/72/12/1201977212.db2.gz VWVYHKPTCHAPQQ-JHNDHUHGSA-N 0 3 381.498 0.483 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1cccs1 ZINC001108872064 1201977277 /nfs/dbraw/zinc/97/72/77/1201977277.db2.gz VWVYHKPTCHAPQQ-OHFALNGGSA-N 0 3 381.498 0.483 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F)C1=COCCO1 ZINC001108888315 1201979116 /nfs/dbraw/zinc/97/91/16/1201979116.db2.gz NGNFZWZNIYLNPN-NDBYEHHHSA-N 0 3 380.363 0.536 20 0 GCADHN O=C(Cn1cccn1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001108925791 1201981423 /nfs/dbraw/zinc/98/14/23/1201981423.db2.gz DPBWUBVKSSXODM-FZCLSBEQSA-N 0 3 378.473 0.161 20 0 GCADHN CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1C)C2 ZINC001109101444 1201994396 /nfs/dbraw/zinc/99/43/96/1201994396.db2.gz WSCCCXNDIMQESN-CRWXNKLISA-N 0 3 376.461 0.596 20 0 GCADHN NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccccc1F ZINC001109111867 1201996291 /nfs/dbraw/zinc/99/62/91/1201996291.db2.gz RUSQPHVXVICUFI-JHNDHUHGSA-N 0 3 379.432 0.300 20 0 GCADHN CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1cccs1 ZINC001109194418 1202003682 /nfs/dbraw/zinc/00/36/82/1202003682.db2.gz RAPBELAQTPHKLL-VRKREXBASA-N 0 3 381.498 0.483 20 0 GCADHN CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000768166667 1202004839 /nfs/dbraw/zinc/00/48/39/1202004839.db2.gz NAAGCJXFZAMOFK-ZIAGYGMSSA-N 0 3 392.431 0.445 20 0 GCADHN CC1(C)CC(NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC(C)(C)N1O ZINC001169987077 1202004943 /nfs/dbraw/zinc/00/49/43/1202004943.db2.gz DFTHZJIVYFTHKC-INIZCTEOSA-N 0 3 392.500 0.905 20 0 GCADHN CC(C)(C)OC(=O)NCCN(CCO)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000768324542 1202009974 /nfs/dbraw/zinc/00/99/74/1202009974.db2.gz IGPFNBYVLLSKBY-HUUCEWRRSA-N 0 3 386.493 0.378 20 0 GCADHN CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(CO)cc1 ZINC001109363982 1202030128 /nfs/dbraw/zinc/03/01/28/1202030128.db2.gz HVJCGGBQWODHSO-IKGGRYGDSA-N 0 3 381.498 0.340 20 0 GCADHN CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCOC ZINC001109371540 1202031564 /nfs/dbraw/zinc/03/15/64/1202031564.db2.gz JCCPUWLCEOPTJL-VSZNYVQBSA-N 0 3 380.533 0.735 20 0 GCADHN CCCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCOC ZINC001109371539 1202031721 /nfs/dbraw/zinc/03/17/21/1202031721.db2.gz JCCPUWLCEOPTJL-OWSLCNJRSA-N 0 3 380.533 0.735 20 0 GCADHN O=C(CCn1ccccc1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCc2ncnn21 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/nfs/dbraw/zinc/03/95/74/1202039574.db2.gz YDBLZNQTNHELLW-UKMLZYKCSA-N 0 3 379.505 0.426 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(F)(F)F)C1CCC1 ZINC001109406118 1202039580 /nfs/dbraw/zinc/03/95/80/1202039580.db2.gz OKFOUPRIUHXRLW-RDBSUJKOSA-N 0 3 376.423 0.871 20 0 GCADHN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@@H]1CCOC1)C1CCC1 ZINC001109411578 1202040107 /nfs/dbraw/zinc/04/01/07/1202040107.db2.gz ASJGZKHVZZIEOJ-RANZSIQMSA-N 0 3 378.517 0.345 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnccc1C)C2 ZINC001109414808 1202042473 /nfs/dbraw/zinc/04/24/73/1202042473.db2.gz MHUMCSVRAAIHDV-XWSJACJDSA-N 0 3 377.485 0.678 20 0 GCADHN CCc1c[nH]c(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)COCCOC)n1 ZINC001109416661 1202043224 /nfs/dbraw/zinc/04/32/24/1202043224.db2.gz PYXSUCHZYFQTJU-QZWWFDLISA-N 0 3 380.489 0.260 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)c1ccsc1)C2 ZINC001109423008 1202043645 /nfs/dbraw/zinc/04/36/45/1202043645.db2.gz UZWHLHCAQCHBCK-UGUYLWEFSA-N 0 3 381.498 0.597 20 0 GCADHN C[C@H](C(=O)N(C)C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CN1CCOCC1)C2 ZINC001109449417 1202052419 /nfs/dbraw/zinc/05/24/19/1202052419.db2.gz UKHSJLAHMBZCDN-NCOADZHNSA-N 0 3 380.533 0.543 20 0 GCADHN CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)NC(C)(C)C1=O)N(C)C ZINC001109444042 1202052474 /nfs/dbraw/zinc/05/24/74/1202052474.db2.gz QBHUMNJCHAFOMK-BARDWOONSA-N 0 3 379.505 0.379 20 0 GCADHN CCCCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)N(C)C)C2 ZINC001109444157 1202052628 /nfs/dbraw/zinc/05/26/28/1202052628.db2.gz UVXRKWYGJSOXSK-QXSJWSMHSA-N 0 3 381.521 0.674 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000769268515 1202053423 /nfs/dbraw/zinc/05/34/23/1202053423.db2.gz QNCQKTXNHATCLQ-UHFFFAOYSA-N 0 3 380.420 0.321 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(F)cn1)C2 ZINC001109458261 1202055955 /nfs/dbraw/zinc/05/59/55/1202055955.db2.gz FMAVIMKBVCDMOJ-BDXSIMOUSA-N 0 3 381.448 0.509 20 0 GCADHN CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C2 ZINC001109491431 1202061585 /nfs/dbraw/zinc/06/15/85/1202061585.db2.gz XYAAGOJMMGEKAC-PMPSAXMXSA-N 0 3 378.473 0.733 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)nn1C)C2 ZINC001109514684 1202069839 /nfs/dbraw/zinc/06/98/39/1202069839.db2.gz XFNHTTXRUNWERW-BGTYHANMSA-N 0 3 380.489 0.016 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C(N)=O)cc1)C2 ZINC001109518087 1202070832 /nfs/dbraw/zinc/07/08/32/1202070832.db2.gz SYJFBWJJMVOZLH-BDXSIMOUSA-N 0 3 375.469 0.447 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncnc1)C2 ZINC001109527731 1202072317 /nfs/dbraw/zinc/07/23/17/1202072317.db2.gz IXFOPAYOAJWSDM-SQNIBIBYSA-N 0 3 375.473 0.283 20 0 GCADHN CCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001109538695 1202076032 /nfs/dbraw/zinc/07/60/32/1202076032.db2.gz OLCFIXBXDORUJK-FXNRMWDQSA-N 0 3 376.501 0.097 20 0 GCADHN CC(C)OCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cncn3C(=O)N1)C2 ZINC001109546948 1202076463 /nfs/dbraw/zinc/07/64/63/1202076463.db2.gz DDBVKUZIPUDYLS-IWCQGFGOSA-N 0 3 375.473 0.902 20 0 GCADHN CCn1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@@H]2CCOC2)nn1 ZINC001109544797 1202077913 /nfs/dbraw/zinc/07/79/13/1202077913.db2.gz NGZMBGSIHAXZIU-BDXSIMOUSA-N 0 3 377.489 0.758 20 0 GCADHN CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001109555569 1202079900 /nfs/dbraw/zinc/07/99/00/1202079900.db2.gz VXYMZVOUIPVLDP-AESZEHBQSA-N 0 3 377.489 0.038 20 0 GCADHN COC(=O)CC(C)(C)NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000770196024 1202088023 /nfs/dbraw/zinc/08/80/23/1202088023.db2.gz VXEVAZLWMSVWRU-UONOGXRCSA-N 0 3 390.502 0.112 20 0 GCADHN CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccnn1C ZINC001111500599 1202090361 /nfs/dbraw/zinc/09/03/61/1202090361.db2.gz NBNFLNMSEHSNOV-TWMKSMIVSA-N 0 3 376.505 0.911 20 0 GCADHN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)OCCN3CCCCC3)CC2=O)c1 ZINC000770372334 1202095009 /nfs/dbraw/zinc/09/50/09/1202095009.db2.gz DJGFMXRHMMEKTG-CQSZACIVSA-N 0 3 395.481 0.716 20 0 GCADHN CCOC(=O)N1CC[C@@H](NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000770433262 1202098498 /nfs/dbraw/zinc/09/84/98/1202098498.db2.gz PNZHXZLXDYJLSK-CABCVRRESA-N 0 3 383.493 0.459 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccc(F)cc1)[C@@H]1CNC(=O)N1 ZINC001109652707 1202098988 /nfs/dbraw/zinc/09/89/88/1202098988.db2.gz FTSBCOKRHXQMOT-IWCQGFGOSA-N 0 3 376.432 0.998 20 0 GCADHN NC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC001109664547 1202102181 /nfs/dbraw/zinc/10/21/81/1202102181.db2.gz CYACMOFPFWOSNS-NCOADZHNSA-N 0 3 375.444 0.716 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCOCC1)N(C)C ZINC001109686421 1202104198 /nfs/dbraw/zinc/10/41/98/1202104198.db2.gz UYRFWCYBGHDTCZ-VUHPKUFZSA-N 0 3 380.533 0.589 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(F)(F)F)N(C)C ZINC001109685942 1202104341 /nfs/dbraw/zinc/10/43/41/1202104341.db2.gz MOEOCGYMMBXRLK-UKTARXLSSA-N 0 3 378.439 0.973 20 0 GCADHN CS(=O)(=O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH]cnc31)C2 ZINC001109704877 1202106077 /nfs/dbraw/zinc/10/60/77/1202106077.db2.gz HPSYLBPLEANKJM-VDERGJSUSA-N 0 3 380.514 0.986 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)cc1C)C2 ZINC001109705002 1202106324 /nfs/dbraw/zinc/10/63/24/1202106324.db2.gz MKMSELBEBHWONB-OHFALNGGSA-N 0 3 379.457 0.455 20 0 GCADHN CS(=O)(=O)NCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH]cnc31)C2 ZINC001109705082 1202106347 /nfs/dbraw/zinc/10/63/47/1202106347.db2.gz PWLOFLKFXLWJFL-DHMWGJHJSA-N 0 3 381.502 0.100 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncs1)C2 ZINC001109727474 1202112644 /nfs/dbraw/zinc/11/26/44/1202112644.db2.gz FATRORNHDICDIW-PVAVHDDUSA-N 0 3 380.514 0.950 20 0 GCADHN CO[C@@H]1Cc2ccc(NC(=O)C(=O)N[C@@H](C)CCN3CCN(C)CC3)cc2C1 ZINC000770804581 1202113937 /nfs/dbraw/zinc/11/39/37/1202113937.db2.gz XCMPHIVFRKZOBQ-HNAYVOBHSA-N 0 3 388.512 0.881 20 0 GCADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)Nc1nnc(C)s1)N(C)C ZINC001109733502 1202114880 /nfs/dbraw/zinc/11/48/80/1202114880.db2.gz RHQSWKNDLPIQDM-RFGFWPKPSA-N 0 3 380.518 0.847 20 0 GCADHN CC(C)(C)NC(=O)NCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cn[nH]n1)C2 ZINC001109740136 1202115835 /nfs/dbraw/zinc/11/58/35/1202115835.db2.gz LRXBNPHGXWJBJS-ILXRZTDVSA-N 0 3 377.493 0.557 20 0 GCADHN CC(C)(C)NC(=O)NCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]nn1)C2 ZINC001109740136 1202115837 /nfs/dbraw/zinc/11/58/37/1202115837.db2.gz LRXBNPHGXWJBJS-ILXRZTDVSA-N 0 3 377.493 0.557 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001109740964 1202116252 /nfs/dbraw/zinc/11/62/52/1202116252.db2.gz CMHQQMMBCNOTDQ-OJLVUWQFSA-N 0 3 378.477 0.000 20 0 GCADHN Cn1nnc2cc(CN3[C@@H]4CC[C@H]3[C@@H](NC(=O)CCc3cn[nH]n3)C4)ccc21 ZINC001109737113 1202117065 /nfs/dbraw/zinc/11/70/65/1202117065.db2.gz VKTVOPMHSSERPV-VKJFTORMSA-N 0 3 380.456 0.941 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2CCCNC2=O)C[C@H]1C(=O)N1CCSC1 ZINC001170019773 1202119953 /nfs/dbraw/zinc/11/99/53/1202119953.db2.gz LDZKIJHOFGHKQW-MCIONIFRSA-N 0 3 398.529 0.766 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1=O ZINC000746253256 1202122040 /nfs/dbraw/zinc/12/20/40/1202122040.db2.gz JLLRVOCDALYUTK-NWDGAFQWSA-N 0 3 378.395 0.018 20 0 GCADHN CC[C@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C2)OC ZINC001109781798 1202122054 /nfs/dbraw/zinc/12/20/54/1202122054.db2.gz BLOPQZVCOAQYHP-WCVJEAGWSA-N 0 3 375.535 0.805 20 0 GCADHN CC(=O)N[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCC(C)C)C(N)=O ZINC001109804516 1202127547 /nfs/dbraw/zinc/12/75/47/1202127547.db2.gz RUMZERMGHBUTDA-QZWWFDLISA-N 0 3 382.505 0.151 20 0 GCADHN CN(C)C(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001109812603 1202128610 /nfs/dbraw/zinc/12/86/10/1202128610.db2.gz GPLAHMBFFBHSMT-NDBYEHHHSA-N 0 3 381.395 0.126 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001109825147 1202129635 /nfs/dbraw/zinc/12/96/35/1202129635.db2.gz XRZIPGUQXSVYGN-NBMRYCAZSA-N 0 3 377.489 0.463 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)N1CCCCC1 ZINC000771192647 1202129752 /nfs/dbraw/zinc/12/97/52/1202129752.db2.gz VIVBWECWMXZLNF-AWEZNQCLSA-N 0 3 386.456 0.500 20 0 GCADHN C[C@H](O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(n3cnnn3)CCOCC1)C2 ZINC001109823120 1202130876 /nfs/dbraw/zinc/13/08/76/1202130876.db2.gz PSIZDYANBZUULM-FZKCQIBNSA-N 0 3 378.477 0.061 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001109833622 1202131814 /nfs/dbraw/zinc/13/18/14/1202131814.db2.gz MINLZFXKCLQERY-QZWWFDLISA-N 0 3 377.489 0.128 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ncccn1)C2 ZINC001109873151 1202139085 /nfs/dbraw/zinc/13/90/85/1202139085.db2.gz ONGRNKQCZWVOHW-IKGGRYGDSA-N 0 3 375.473 0.283 20 0 GCADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC(C)(C)C ZINC001109868248 1202139950 /nfs/dbraw/zinc/13/99/50/1202139950.db2.gz IDPKQLGMRDVKIA-ILXRZTDVSA-N 0 3 381.521 0.674 20 0 GCADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NCC(C)C ZINC001109868651 1202140643 /nfs/dbraw/zinc/14/06/43/1202140643.db2.gz ZZHWKLXZSKNMRV-PMPSAXMXSA-N 0 3 381.521 0.532 20 0 GCADHN O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000771655440 1202152992 /nfs/dbraw/zinc/15/29/92/1202152992.db2.gz YMZGNEFQHXJNMV-OAHLLOKOSA-N 0 3 399.488 0.843 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000771660414 1202153761 /nfs/dbraw/zinc/15/37/61/1202153761.db2.gz GVQNZMITHJIVJH-MRXNPFEDSA-N 0 3 395.529 0.249 20 0 GCADHN CCn1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)COCCOC)cn1 ZINC001109962482 1202160797 /nfs/dbraw/zinc/16/07/97/1202160797.db2.gz YPYOHMHVRQERQG-BDXSIMOUSA-N 0 3 380.489 0.191 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCN(CC[S@](C)=O)CC1)c1ccccc1 ZINC000771764246 1202161232 /nfs/dbraw/zinc/16/12/32/1202161232.db2.gz XKCRFFCZPDOBKG-QYBDOPJKSA-N 0 3 380.558 0.402 20 0 GCADHN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN[C@H](CO)C1CC1 ZINC000771814532 1202163561 /nfs/dbraw/zinc/16/35/61/1202163561.db2.gz ANECNWWEHDXHAN-MRXNPFEDSA-N 0 3 381.498 0.577 20 0 GCADHN C[C@@H](N[C@@H](CO)C1CC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000771809493 1202163661 /nfs/dbraw/zinc/16/36/61/1202163661.db2.gz SJSSAKMYHAULBL-DYVFJYSZSA-N 0 3 397.497 0.395 20 0 GCADHN Cn1nccc1CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C2 ZINC001109980669 1202166464 /nfs/dbraw/zinc/16/64/64/1202166464.db2.gz VZNNHIOGDTUITI-FXUDXRNXSA-N 0 3 376.505 0.767 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(NC(C)=O)c1)C2 ZINC001110010910 1202173645 /nfs/dbraw/zinc/17/36/45/1202173645.db2.gz NOTPWTZKGOQVKO-XWSJACJDSA-N 0 3 375.469 0.916 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000787650229 1205397505 /nfs/dbraw/zinc/39/75/05/1205397505.db2.gz IQZGDTUHBUSTCM-HNNXBMFYSA-N 0 3 382.505 0.960 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000787664749 1205398257 /nfs/dbraw/zinc/39/82/57/1205398257.db2.gz UDVXBKZYRJQMAX-ZDUSSCGKSA-N 0 3 392.422 0.456 20 0 GCADHN O=C(NCCCN1CCc2ccccc21)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000787687054 1205398926 /nfs/dbraw/zinc/39/89/26/1205398926.db2.gz IOTVICLWSXOFND-ZWKOTPCHSA-N 0 3 386.496 0.535 20 0 GCADHN COC(=O)[C@H](O)C1CCN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787732709 1205401392 /nfs/dbraw/zinc/40/13/92/1205401392.db2.gz ZHJYMUSNGIUCFS-CLCXKQKWSA-N 0 3 386.489 0.993 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)CC1 ZINC000787903967 1205406387 /nfs/dbraw/zinc/40/63/87/1205406387.db2.gz PHLRBOJLLABHFO-SFHVURJKSA-N 0 3 388.512 0.640 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)CC1 ZINC000787913660 1205407429 /nfs/dbraw/zinc/40/74/29/1205407429.db2.gz XAJFZHBGXCBLFE-UHFFFAOYSA-N 0 3 396.532 0.132 20 0 GCADHN COCN1C(=O)CCc2cc(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)ccc21 ZINC000787945554 1205409224 /nfs/dbraw/zinc/40/92/24/1205409224.db2.gz LTGMCFQBWGAEST-OAHLLOKOSA-N 0 3 388.468 0.918 20 0 GCADHN C[C@@H](Cc1ccco1)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000787959584 1205409761 /nfs/dbraw/zinc/40/97/61/1205409761.db2.gz GGACJHSUHUOUNH-GOEBONIOSA-N 0 3 378.473 0.386 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)oc3ccccc31)C2 ZINC001110084640 1205410993 /nfs/dbraw/zinc/41/09/93/1205410993.db2.gz IGNIOWZAXDYWIB-KBXIAJHMSA-N 0 3 375.425 0.323 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000787996505 1205411090 /nfs/dbraw/zinc/41/10/90/1205411090.db2.gz SQJYMCUQGXZMIM-YMOZUKEZSA-N 0 3 379.461 0.023 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1C ZINC000788034585 1205412512 /nfs/dbraw/zinc/41/25/12/1205412512.db2.gz LZNJCGBODXNQEJ-ZWKOTPCHSA-N 0 3 388.512 0.917 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H](C3(C)OCCO3)C2)CCSC1 ZINC000788239855 1205416943 /nfs/dbraw/zinc/41/69/43/1205416943.db2.gz ABNAYTGMZPOBBU-KBXCAEBGSA-N 0 3 385.530 0.542 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CCSC1 ZINC000788241219 1205417145 /nfs/dbraw/zinc/41/71/45/1205417145.db2.gz CWLQANMEHLTZJH-PBHICJAKSA-N 0 3 385.530 0.732 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)CCSC1 ZINC000788250709 1205417563 /nfs/dbraw/zinc/41/75/63/1205417563.db2.gz IHERXQYHVVYCCP-GOSISDBHSA-N 0 3 385.530 0.542 20 0 GCADHN CCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000788585347 1205426276 /nfs/dbraw/zinc/42/62/76/1205426276.db2.gz RDUCOYFOIOLMGP-UHFFFAOYSA-N 0 3 396.557 0.971 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@@H](O)C[C@H]3C(=O)OC)cc2)CC1 ZINC000788602570 1205426461 /nfs/dbraw/zinc/42/64/61/1205426461.db2.gz QZPBHBMWXMNGBS-ROUUACIJSA-N 0 3 390.484 0.375 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)noc1C)C2 ZINC001110087139 1205430884 /nfs/dbraw/zinc/43/08/84/1205430884.db2.gz HSHHQXDRCGBXDQ-FZCLSBEQSA-N 0 3 381.473 0.579 20 0 GCADHN CN(CCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(=O)OC(C)(C)C ZINC000788883961 1205431631 /nfs/dbraw/zinc/43/16/31/1205431631.db2.gz KSIKGOZXEIOOFH-OAHLLOKOSA-N 0 3 382.505 0.960 20 0 GCADHN O=C(NCc1cccc(N2CCOC2=O)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000789568847 1205442563 /nfs/dbraw/zinc/44/25/63/1205442563.db2.gz WJGDDXCFWIKOIO-MRXNPFEDSA-N 0 3 386.452 0.860 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000789760075 1205446334 /nfs/dbraw/zinc/44/63/34/1205446334.db2.gz YIBNXSXGCJUMMM-DLBZAZTESA-N 0 3 375.444 0.953 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc(OCC(N)=O)cc1 ZINC000790025287 1205455115 /nfs/dbraw/zinc/45/51/15/1205455115.db2.gz BSABBDDQGCDZLU-UHFFFAOYSA-N 0 3 396.469 0.693 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](C)c3nnnn3C)cc2)CC1 ZINC000790152906 1205457674 /nfs/dbraw/zinc/45/76/74/1205457674.db2.gz ATBSIWVCPASWII-HNNXBMFYSA-N 0 3 386.504 0.908 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2nccn2C)C1)CN1CCN(C)CC1 ZINC000790186039 1205458293 /nfs/dbraw/zinc/45/82/93/1205458293.db2.gz UDELSOJBPZBTCG-SJORKVTESA-N 0 3 390.532 0.126 20 0 GCADHN COc1c(C)cnc(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1C ZINC000790191987 1205458492 /nfs/dbraw/zinc/45/84/92/1205458492.db2.gz PAOBTBSFCNPLDA-AWEZNQCLSA-N 0 3 391.516 0.323 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(-n2ccnc2)cc1)CN1CCN(C)CC1 ZINC000790194880 1205458774 /nfs/dbraw/zinc/45/87/74/1205458774.db2.gz JMTSKBVINLTMNH-KRWDZBQOSA-N 0 3 398.511 0.488 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1ccc(-n2ccnc2)cc1)CN1CCN(C)CC1 ZINC000790194883 1205458931 /nfs/dbraw/zinc/45/89/31/1205458931.db2.gz JMTSKBVINLTMNH-QGZVFWFLSA-N 0 3 398.511 0.488 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC(c3cn[nH]c3)CC2)CC1 ZINC000790209108 1205459003 /nfs/dbraw/zinc/45/90/03/1205459003.db2.gz LEKVDMRURWORKA-MRXNPFEDSA-N 0 3 390.532 0.506 20 0 GCADHN O=C(NCC(F)(F)F)[C@@H]1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)C1 ZINC000790388455 1205462875 /nfs/dbraw/zinc/46/28/75/1205462875.db2.gz STHFMQBVUZCOKG-WBMJQRKESA-N 0 3 390.406 0.861 20 0 GCADHN O=C(NCC(F)(F)F)[C@H]1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)C1 ZINC000790388452 1205462904 /nfs/dbraw/zinc/46/29/04/1205462904.db2.gz STHFMQBVUZCOKG-BLLLJJGKSA-N 0 3 390.406 0.861 20 0 GCADHN O=C(NCC(F)(F)F)[C@H]1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)C1 ZINC000790388453 1205462957 /nfs/dbraw/zinc/46/29/57/1205462957.db2.gz STHFMQBVUZCOKG-LRDDRELGSA-N 0 3 390.406 0.861 20 0 GCADHN Cn1cc([C@H]2CSCCN2CN2C(=O)NC3(CCN(C)CC3)C2=O)cn1 ZINC000790470764 1205465019 /nfs/dbraw/zinc/46/50/19/1205465019.db2.gz RBJVUKMLLFVBHJ-CQSZACIVSA-N 0 3 378.502 0.484 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)c2nnnn2C2CC2)CC1 ZINC000790712201 1205469853 /nfs/dbraw/zinc/46/98/53/1205469853.db2.gz DDNQZDUKQLQJHU-CYBMUJFWSA-N 0 3 378.481 0.265 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000790712211 1205469885 /nfs/dbraw/zinc/46/98/85/1205469885.db2.gz DDNQZDUKQLQJHU-ZDUSSCGKSA-N 0 3 378.481 0.265 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000790975230 1205473168 /nfs/dbraw/zinc/47/31/68/1205473168.db2.gz NKIAHXRCRXUSPZ-ZDUSSCGKSA-N 0 3 399.517 0.103 20 0 GCADHN CN1CCN(CCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792034043 1205483587 /nfs/dbraw/zinc/48/35/87/1205483587.db2.gz PJNCFAFDOOTSPS-UHFFFAOYSA-N 0 3 383.537 0.293 20 0 GCADHN CN1CCN(C)[C@H](CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792165111 1205484506 /nfs/dbraw/zinc/48/45/06/1205484506.db2.gz IPOTVJOLJCYBGY-MRXNPFEDSA-N 0 3 383.537 0.291 20 0 GCADHN CN1CCN(C)[C@@H](CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792165109 1205484586 /nfs/dbraw/zinc/48/45/86/1205484586.db2.gz IPOTVJOLJCYBGY-INIZCTEOSA-N 0 3 383.537 0.291 20 0 GCADHN C[C@H](CNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)N1CCN(C)CC1 ZINC000792168850 1205484592 /nfs/dbraw/zinc/48/45/92/1205484592.db2.gz CFUNBMZRPQZVKZ-QGZVFWFLSA-N 0 3 397.564 0.681 20 0 GCADHN CCNC(=O)CN(C)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000747074384 1205488644 /nfs/dbraw/zinc/48/86/44/1205488644.db2.gz PNHJTNXFBWRAMO-HXUWFJFHSA-N 0 3 387.484 0.598 20 0 GCADHN CC[C@@H]1C[C@H](N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CCO1 ZINC001170226016 1205490036 /nfs/dbraw/zinc/49/00/36/1205490036.db2.gz GGHBWLKFVUUGOC-NCOADZHNSA-N 0 3 396.532 0.541 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1ccccc1F)C2 ZINC001110097781 1205490610 /nfs/dbraw/zinc/49/06/10/1205490610.db2.gz VFYRHUMMJMDZCX-OMNBBPDLSA-N 0 3 379.432 0.284 20 0 GCADHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc(C(=O)N2CCC[C@@H]2C(N)=O)cc1Cl ZINC001170338712 1205491121 /nfs/dbraw/zinc/49/11/21/1205491121.db2.gz XLYCPXNMOLHLCF-CYBMUJFWSA-N 0 3 392.847 0.526 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000793715297 1205503179 /nfs/dbraw/zinc/50/31/79/1205503179.db2.gz XTSFIAPVCOFGQD-CQSZACIVSA-N 0 3 382.505 0.960 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793711922 1205503238 /nfs/dbraw/zinc/50/32/38/1205503238.db2.gz ZCJSOXCKCOIYPY-OXJNMPFZSA-N 0 3 397.516 0.795 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1)N1CCCCC1 ZINC000793713236 1205503248 /nfs/dbraw/zinc/50/32/48/1205503248.db2.gz OBURXXJPIJSDAJ-OAHLLOKOSA-N 0 3 395.525 0.838 20 0 GCADHN O=C(NCc1ccccc1-n1ccnc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793715991 1205503303 /nfs/dbraw/zinc/50/33/03/1205503303.db2.gz BSIJCSPPQQRARF-IAGOWNOFSA-N 0 3 383.452 0.468 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)NC[C@H](C)N3CCCCC3)CC2)oc1C ZINC000793696137 1205504074 /nfs/dbraw/zinc/50/40/74/1205504074.db2.gz FQNDQPATJVOUPP-HNNXBMFYSA-N 0 3 391.516 0.926 20 0 GCADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC[C@H](C)N3CCCCC3)CC2)n1 ZINC000793694876 1205504089 /nfs/dbraw/zinc/50/40/89/1205504089.db2.gz CJKJVUWGUIDADB-KRWDZBQOSA-N 0 3 388.516 0.733 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793705693 1205504628 /nfs/dbraw/zinc/50/46/28/1205504628.db2.gz BBNUDUMZFQIBIA-HNNXBMFYSA-N 0 3 382.505 0.121 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1)N1CCCCC1 ZINC000793706323 1205504637 /nfs/dbraw/zinc/50/46/37/1205504637.db2.gz GKCMUVNZWPEATF-FGTMMUONSA-N 0 3 380.533 0.737 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793702585 1205504690 /nfs/dbraw/zinc/50/46/90/1205504690.db2.gz UAEGIEQWCATZJX-BRWVUGGUSA-N 0 3 396.532 0.367 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)N1CCCCC1 ZINC000793709192 1205504859 /nfs/dbraw/zinc/50/48/59/1205504859.db2.gz KHMHCIKWSQGYTP-OAHLLOKOSA-N 0 3 392.475 0.591 20 0 GCADHN CN1CC[C@](O)(CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793820687 1205507480 /nfs/dbraw/zinc/50/74/80/1205507480.db2.gz WIZSMUGLSOSRDA-FIKGOQFSSA-N 0 3 398.463 0.761 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(OC)c1 ZINC000793865436 1205508115 /nfs/dbraw/zinc/50/81/15/1205508115.db2.gz SPAVMYFINBGJAM-WBVHZDCISA-N 0 3 391.468 0.342 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000793902555 1205508645 /nfs/dbraw/zinc/50/86/45/1205508645.db2.gz RSFNGWAARUQWTH-BZUAXINKSA-N 0 3 383.489 0.261 20 0 GCADHN CCOC(=O)N1CCCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000793901660 1205508684 /nfs/dbraw/zinc/50/86/84/1205508684.db2.gz OEIYHXRULBKRQI-HZPDHXFCSA-N 0 3 382.505 0.914 20 0 GCADHN CN(CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000793938184 1205510787 /nfs/dbraw/zinc/51/07/87/1205510787.db2.gz RANVAEGVSFGLFX-CQSZACIVSA-N 0 3 382.505 0.960 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1 ZINC000804418651 1205515284 /nfs/dbraw/zinc/51/52/84/1205515284.db2.gz SEYOWAMXSFKCRV-HOCLYGCPSA-N 0 3 382.505 0.960 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000804416495 1205515878 /nfs/dbraw/zinc/51/58/78/1205515878.db2.gz RVVIJVYPNHCIMV-KZNAEPCWSA-N 0 3 391.516 0.825 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1)N1CCC[C@@H](C)C1 ZINC000804751040 1205523427 /nfs/dbraw/zinc/52/34/27/1205523427.db2.gz SHSIMDVKNKBMSC-ZIAGYGMSSA-N 0 3 382.505 0.959 20 0 GCADHN CN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000804732110 1205523988 /nfs/dbraw/zinc/52/39/88/1205523988.db2.gz CPEXWFWYOUNHTK-QWHCGFSZSA-N 0 3 390.406 0.209 20 0 GCADHN CN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000804732111 1205524104 /nfs/dbraw/zinc/52/41/04/1205524104.db2.gz CPEXWFWYOUNHTK-STQMWFEESA-N 0 3 390.406 0.209 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804732382 1205524239 /nfs/dbraw/zinc/52/42/39/1205524239.db2.gz MLSJCSNLDRIYIS-HIFRSBDPSA-N 0 3 382.505 0.864 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129898109 1205524407 /nfs/dbraw/zinc/52/44/07/1205524407.db2.gz MQCSTFIGJYXFRL-RNJOBUHISA-N 0 3 377.367 0.376 20 0 GCADHN CCCCOCCN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1n1ccnn1 ZINC001129897779 1205524412 /nfs/dbraw/zinc/52/44/12/1205524412.db2.gz HHSVMEQXUVOAFN-YVSFHVDLSA-N 0 3 381.477 0.240 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129899866 1205524768 /nfs/dbraw/zinc/52/47/68/1205524768.db2.gz PQHMAQSEVXFNCR-NYTXWWLZSA-N 0 3 387.431 0.716 20 0 GCADHN CC(C)COCCN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129938209 1205524943 /nfs/dbraw/zinc/52/49/43/1205524943.db2.gz RJPAXFHBLAXSGZ-KNEKCZJMSA-N 0 3 389.500 0.716 20 0 GCADHN CC(C)=CCN[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1n1ccnn1 ZINC001129937899 1205524951 /nfs/dbraw/zinc/52/49/51/1205524951.db2.gz JUIUVLKDDHVBMY-NCOADZHNSA-N 0 3 390.488 0.399 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1)C1=CCN(C)CC1 ZINC000804757318 1205525320 /nfs/dbraw/zinc/52/53/20/1205525320.db2.gz OQWGESOZXQOKLR-CYBMUJFWSA-N 0 3 380.489 0.736 20 0 GCADHN CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001130012169 1205528526 /nfs/dbraw/zinc/52/85/26/1205528526.db2.gz SFASPEHRZDMDFG-TVFCKZIOSA-N 0 3 388.516 0.828 20 0 GCADHN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000747230699 1205532549 /nfs/dbraw/zinc/53/25/49/1205532549.db2.gz XBLPVDOIOYVBHZ-NEPJUHHUSA-N 0 3 392.847 0.917 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C3OCCO3)C2)CC1 ZINC000805159629 1205532909 /nfs/dbraw/zinc/53/29/09/1205532909.db2.gz PHCPORHNXLJVMR-HNNXBMFYSA-N 0 3 397.516 0.604 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000747231927 1205532939 /nfs/dbraw/zinc/53/29/39/1205532939.db2.gz OXOYAEVHHFLJCJ-IAGOWNOFSA-N 0 3 381.498 0.371 20 0 GCADHN CN(CC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1=NS(=O)(=O)c2ccccc21 ZINC000747237639 1205534168 /nfs/dbraw/zinc/53/41/68/1205534168.db2.gz YLAAKSCIQFIINA-KBPBESRZSA-N 0 3 392.481 0.047 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000747235566 1205534370 /nfs/dbraw/zinc/53/43/70/1205534370.db2.gz DJDSBEGCDANNJN-HZPDHXFCSA-N 0 3 379.482 0.720 20 0 GCADHN CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCC3)[n-]1 ZINC001130227805 1205538629 /nfs/dbraw/zinc/53/86/29/1205538629.db2.gz QGKVOYAAKZRMLF-UMCXVIDHSA-N 0 3 390.488 0.209 20 0 GCADHN COC(=O)c1ncc(=O)[nH]c1Nc1ccc(C(=O)NC2CCN(C)CC2)nn1 ZINC001170482956 1205538884 /nfs/dbraw/zinc/53/88/84/1205538884.db2.gz NXNUOIFKWNQUFC-UHFFFAOYSA-N 0 3 387.400 0.326 20 0 GCADHN CCCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC)[n-]1 ZINC001130237867 1205539141 /nfs/dbraw/zinc/53/91/41/1205539141.db2.gz HELZIBUSCDMRLO-BARDWOONSA-N 0 3 392.504 0.455 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@@H](CCNC(C)=O)C2)CC1 ZINC000805825544 1205544768 /nfs/dbraw/zinc/54/47/68/1205544768.db2.gz XZJUXVNXARABHM-WBVHZDCISA-N 0 3 382.505 0.914 20 0 GCADHN O=C(NCc1c[nH]nc1[C@H]1CCN(CCOCCO)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001130401572 1205545084 /nfs/dbraw/zinc/54/50/84/1205545084.db2.gz HJKNWIQATZVQHL-QZFZTSDASA-N 0 3 390.484 0.248 20 0 GCADHN COC(=O)COCC(=O)Nc1ccc(OCCCN2CCN(C)CC2)cc1 ZINC001130542091 1205550212 /nfs/dbraw/zinc/55/02/12/1205550212.db2.gz OGPSTXGEGUHSFK-UHFFFAOYSA-N 0 3 379.457 0.831 20 0 GCADHN Cn1nccc1CCNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000806205809 1205551361 /nfs/dbraw/zinc/55/13/61/1205551361.db2.gz CNPYYUMOJBXVOH-UHFFFAOYSA-N 0 3 393.557 0.947 20 0 GCADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)N1CCC2(C1)OCCO2 ZINC000806206742 1205551479 /nfs/dbraw/zinc/55/14/79/1205551479.db2.gz KWVSTFYAMWRWNK-UHFFFAOYSA-N 0 3 397.541 0.830 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCCC2(C)OCCO2)CC1 ZINC000806377081 1205554888 /nfs/dbraw/zinc/55/48/88/1205554888.db2.gz GAKPVJNGERCAIJ-OAHLLOKOSA-N 0 3 390.484 0.993 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCCC1(C)OCCO1 ZINC000806376760 1205555213 /nfs/dbraw/zinc/55/52/13/1205555213.db2.gz DHEHYEAZKOOHLL-UHFFFAOYSA-N 0 3 381.448 0.985 20 0 GCADHN Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)nc12 ZINC000806537729 1205558345 /nfs/dbraw/zinc/55/83/45/1205558345.db2.gz VCZRVFVZHNCOQT-DLBZAZTESA-N 0 3 385.468 0.281 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC2COC(C)(C)OC2)c1 ZINC000806653797 1205560529 /nfs/dbraw/zinc/56/05/29/1205560529.db2.gz FYUWUCKEWXUUDW-UHFFFAOYSA-N 0 3 393.484 0.853 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2COC(C)(C)OC2)C1 ZINC000806653984 1205560659 /nfs/dbraw/zinc/56/06/59/1205560659.db2.gz JLHLUEWZMVCAJI-QGZVFWFLSA-N 0 3 375.469 0.987 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC1COC(C)(C)OC1 ZINC000806657550 1205560852 /nfs/dbraw/zinc/56/08/52/1205560852.db2.gz HRCNIMHVRNUCMQ-UHFFFAOYSA-N 0 3 381.448 0.984 20 0 GCADHN O=C(NC[C@@H]1COC2(CCOCC2)O1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000806716667 1205565097 /nfs/dbraw/zinc/56/50/97/1205565097.db2.gz XVTAFUBCVBIXJP-DLBZAZTESA-N 0 3 395.500 0.502 20 0 GCADHN NC(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc1Cl ZINC000806787963 1205567352 /nfs/dbraw/zinc/56/73/52/1205567352.db2.gz ASIMBXPHRWBMDK-UHFFFAOYSA-N 0 3 379.848 0.214 20 0 GCADHN COC1(CNC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)CCOCC1 ZINC000807062821 1205574149 /nfs/dbraw/zinc/57/41/49/1205574149.db2.gz KJPPKIRINZDNHA-UHFFFAOYSA-N 0 3 391.512 0.931 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000807086303 1205575268 /nfs/dbraw/zinc/57/52/68/1205575268.db2.gz WWQXGQKOTPVNCC-OLZOCXBDSA-N 0 3 390.406 0.305 20 0 GCADHN CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000807130706 1205576457 /nfs/dbraw/zinc/57/64/57/1205576457.db2.gz KZABXSRRISBRIR-RBUKOAKNSA-N 0 3 391.512 0.930 20 0 GCADHN CCOC(=O)C1=C(Nc2ccc3c(c2)N2C(=NNC(=O)[C@@H]2C)CO3)CCNC1 ZINC001170520492 1205577157 /nfs/dbraw/zinc/57/71/57/1205577157.db2.gz IGOSNLNJIZFALC-NSHDSACASA-N 0 3 385.424 0.940 20 0 GCADHN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000805283447 1205580858 /nfs/dbraw/zinc/58/08/58/1205580858.db2.gz IUNFCGBYEFFSSY-CVEARBPZSA-N 0 3 382.505 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C[C@@H](C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2)N1CCCC1 ZINC001180578883 1205826112 /nfs/dbraw/zinc/82/61/12/1205826112.db2.gz LDPMFPAATIJLID-INIZCTEOSA-N 0 3 387.484 0.795 20 0 GCADHN C[C@H](C(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1)N1CCCC1 ZINC001180578007 1205826118 /nfs/dbraw/zinc/82/61/18/1205826118.db2.gz GIYQCOAKNYJVQL-OAHLLOKOSA-N 0 3 399.499 0.416 20 0 GCADHN COC(=O)[C@H](CCC(=O)N1CCOC[C@H]1CN(C)C)NC(=O)OC(C)(C)C ZINC001181116121 1205838902 /nfs/dbraw/zinc/83/89/02/1205838902.db2.gz AUIAGQDUSPSTQQ-KGLIPLIRSA-N 0 3 387.477 0.622 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC3(CCN(C)C3=O)CC2)CC1 ZINC000773921781 1205844053 /nfs/dbraw/zinc/84/40/53/1205844053.db2.gz IWUCRRSJDUPOCP-OAHLLOKOSA-N 0 3 380.489 0.620 20 0 GCADHN NS(=O)(=O)C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC001181474172 1205845328 /nfs/dbraw/zinc/84/53/28/1205845328.db2.gz VWQRDRYGVRXVQJ-USXIJHARSA-N 0 3 380.514 0.867 20 0 GCADHN O=C(CC1CCS(=O)(=O)CC1)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001181543527 1205846084 /nfs/dbraw/zinc/84/60/84/1205846084.db2.gz JRCLVCNQDQGGCE-UHFFFAOYSA-N 0 3 399.557 0.794 20 0 GCADHN COc1ccc(NC(=O)COCCO)cc1OCCCN1CCN(C)CC1 ZINC001181794550 1205849842 /nfs/dbraw/zinc/84/98/42/1205849842.db2.gz ICIBPRGIRBNIGF-UHFFFAOYSA-N 0 3 381.473 0.659 20 0 GCADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000817556304 1205850763 /nfs/dbraw/zinc/85/07/63/1205850763.db2.gz XGXMJWSQHVYMNO-AVGNSLFASA-N 0 3 389.518 0.947 20 0 GCADHN CC(=O)N/C(=C/c1cccs1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000817550948 1205850792 /nfs/dbraw/zinc/85/07/92/1205850792.db2.gz YYDJYNLXGABRNK-MAUBAPBLSA-N 0 3 390.509 0.990 20 0 GCADHN CCOC(=O)Cn1cc(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(-c2cccnc2)n1 ZINC001181880718 1205851583 /nfs/dbraw/zinc/85/15/83/1205851583.db2.gz ZNSCDJVUODHZLV-GASCZTMLSA-N 0 3 383.408 0.213 20 0 GCADHN CN1CCC(O)(C(=O)N2CCCn3nnc(CNc4cccnc4)c3C2)CC1 ZINC001182031063 1205853776 /nfs/dbraw/zinc/85/37/76/1205853776.db2.gz KORXUKQYAWBMHF-UHFFFAOYSA-N 0 3 385.472 0.474 20 0 GCADHN CN1CCC(O)(C(=O)N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)CC1 ZINC001182032658 1205853834 /nfs/dbraw/zinc/85/38/34/1205853834.db2.gz UGXMNVDXMLWNHQ-HNNXBMFYSA-N 0 3 398.467 0.654 20 0 GCADHN CN1CCC(O)(C(=O)N2CCCn3nnc(COc4cccnc4)c3C2)CC1 ZINC001182032849 1205853854 /nfs/dbraw/zinc/85/38/54/1205853854.db2.gz VEJAEVNDHKFQQK-UHFFFAOYSA-N 0 3 386.456 0.441 20 0 GCADHN CN1CCC(O)(C(=O)N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)CC1 ZINC001182032659 1205853999 /nfs/dbraw/zinc/85/39/99/1205853999.db2.gz UGXMNVDXMLWNHQ-OAHLLOKOSA-N 0 3 398.467 0.654 20 0 GCADHN COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(C(=O)C2(O)CCN(C)CC2)C1 ZINC001182034780 1205854175 /nfs/dbraw/zinc/85/41/75/1205854175.db2.gz URCDDFMNEHHYFP-QGZVFWFLSA-N 0 3 385.461 0.112 20 0 GCADHN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(=O)C1(O)CCN(C)CC1)CC2 ZINC001182033860 1205854385 /nfs/dbraw/zinc/85/43/85/1205854385.db2.gz ZXMKZYORZHDMST-GOSISDBHSA-N 0 3 399.495 0.914 20 0 GCADHN NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1cccs1 ZINC001110269130 1205862379 /nfs/dbraw/zinc/86/23/79/1205862379.db2.gz UBZKHAHYIIDGOR-OSRDXIQISA-N 0 3 382.486 0.015 20 0 GCADHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)NC2(CO)CCN(C)CC2)C1 ZINC001182313847 1205863742 /nfs/dbraw/zinc/86/37/42/1205863742.db2.gz DCENKLOFULARPH-INIZCTEOSA-N 0 3 398.548 0.891 20 0 GCADHN Cc1noc(C)c1CN(C)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000774184909 1205865724 /nfs/dbraw/zinc/86/57/24/1205865724.db2.gz ACNKQOMFIDNWRJ-INIZCTEOSA-N 0 3 393.488 0.309 20 0 GCADHN C[S@](=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1F ZINC000774253936 1205867359 /nfs/dbraw/zinc/86/73/59/1205867359.db2.gz QWMBQMOLWCXMMX-ZCDIYMNCSA-N 0 3 383.445 0.481 20 0 GCADHN NC[C@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001182393968 1205868497 /nfs/dbraw/zinc/86/84/97/1205868497.db2.gz XXTLWLFHWOOWCJ-SCTDSRPQSA-N 0 3 393.443 0.907 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1NS(C)(=O)=O ZINC000774280722 1205868917 /nfs/dbraw/zinc/86/89/17/1205868917.db2.gz JBXNCBKUKFICJX-ZDUSSCGKSA-N 0 3 382.486 0.906 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1NS(C)(=O)=O ZINC000774280719 1205868983 /nfs/dbraw/zinc/86/89/83/1205868983.db2.gz JBXNCBKUKFICJX-CYBMUJFWSA-N 0 3 382.486 0.906 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000774283777 1205869032 /nfs/dbraw/zinc/86/90/32/1205869032.db2.gz SPLAYJNVSWXNRW-ZFWWWQNUSA-N 0 3 386.452 0.431 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183073543 1205886448 /nfs/dbraw/zinc/88/64/48/1205886448.db2.gz WTCSMTCXFUUIKV-CABCVRRESA-N 0 3 397.520 0.800 20 0 GCADHN CC(C)[C@H](C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)N(C)C ZINC001183363250 1205891486 /nfs/dbraw/zinc/89/14/86/1205891486.db2.gz VCNFZOUZSGAZJP-VQIMIIECSA-N 0 3 377.489 0.497 20 0 GCADHN C[C@@]1(O)C=C[C@H](O)C(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)=C1 ZINC001183543804 1205894750 /nfs/dbraw/zinc/89/47/50/1205894750.db2.gz JLFSDYFICSJRPA-FXAWDEMLSA-N 0 3 377.485 0.188 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCC(C(=O)C(F)(F)F)CC1)C2=O ZINC000774666119 1205897128 /nfs/dbraw/zinc/89/71/28/1205897128.db2.gz GTYLHXLLBNFHTF-UHFFFAOYSA-N 0 3 376.379 0.804 20 0 GCADHN CC[C@H]1CCN(CC(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)C1=O ZINC001183668850 1205897365 /nfs/dbraw/zinc/89/73/65/1205897365.db2.gz BXTKEYWAQRDTGD-HNNXBMFYSA-N 0 3 397.483 0.958 20 0 GCADHN CC(C)(C)N(C(=O)Cn1cc(F)c(=O)[n-]c1=O)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001183656337 1205897856 /nfs/dbraw/zinc/89/78/56/1205897856.db2.gz HPKWFMGIIBAHJW-LBPRGKRZSA-N 0 3 382.436 0.626 20 0 GCADHN CC(C)(C)OC(=O)N1CC(n2cc(CNCC3CCS(=O)(=O)CC3)nn2)C1 ZINC001183729056 1205899689 /nfs/dbraw/zinc/89/96/89/1205899689.db2.gz VCJAVYLPJZSZCF-UHFFFAOYSA-N 0 3 399.517 0.984 20 0 GCADHN CC(C)(C)OC(=O)N1CCOC[C@H](NC[C@@]2(CO)COC[C@@H]3CCCN32)C1 ZINC001184374280 1205908654 /nfs/dbraw/zinc/90/86/54/1205908654.db2.gz LHDJSIYCFBQJKF-JTDSTZFVSA-N 0 3 385.505 0.438 20 0 GCADHN CC(C)OCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001184408521 1205909444 /nfs/dbraw/zinc/90/94/44/1205909444.db2.gz OKUQUHYPLYRGCI-MJQMVNBJSA-N 0 3 381.517 0.923 20 0 GCADHN CN1[C@H](Cn2cncn2)C[C@@H]2CN(S(=O)(=O)c3cnc(Cl)nc3)CC[C@@H]21 ZINC001185022876 1205915617 /nfs/dbraw/zinc/91/56/17/1205915617.db2.gz IRNABIHOUHDRQE-DYEKYZERSA-N 0 3 397.892 0.505 20 0 GCADHN COc1ccccc1OCCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000774816092 1205916350 /nfs/dbraw/zinc/91/63/50/1205916350.db2.gz NUNJIECQBQVYNN-GJZGRUSLSA-N 0 3 377.441 0.170 20 0 GCADHN CN1CCN(C)[C@H](C(=O)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)C1 ZINC001185251363 1205919168 /nfs/dbraw/zinc/91/91/68/1205919168.db2.gz NPBQANYWOZKJHB-NEWSRXKRSA-N 0 3 376.476 0.735 20 0 GCADHN CN1CCN(C)[C@H](C(=O)N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)C1 ZINC001185251366 1205919517 /nfs/dbraw/zinc/91/95/17/1205919517.db2.gz NPBQANYWOZKJHB-WDSOQIARSA-N 0 3 376.476 0.735 20 0 GCADHN O=C(NC[C@@H](c1ccco1)N1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000774865222 1205921780 /nfs/dbraw/zinc/92/17/80/1205921780.db2.gz HNQCGWXNFIGLRD-ZACQAIPSSA-N 0 3 390.484 0.512 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cn(C)cn1)N1CCCC1 ZINC001273504232 1205922642 /nfs/dbraw/zinc/92/26/42/1205922642.db2.gz CUNJETJTXUESNU-KKUMJFAQSA-N 0 3 381.502 0.268 20 0 GCADHN C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cn(C)cn1)N1CCCC1 ZINC001273504231 1205922710 /nfs/dbraw/zinc/92/27/10/1205922710.db2.gz CUNJETJTXUESNU-ILXRZTDVSA-N 0 3 381.502 0.268 20 0 GCADHN CN1CCN(C2CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC001185583302 1205925990 /nfs/dbraw/zinc/92/59/90/1205925990.db2.gz LVMWNOBQAYIYLJ-UHFFFAOYSA-N 0 3 391.501 0.267 20 0 GCADHN CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCOC[C@H]1CN(C)C ZINC001185835910 1205929761 /nfs/dbraw/zinc/92/97/61/1205929761.db2.gz ZJNBOCNNMZKETD-OWCLPIDISA-N 0 3 399.488 0.574 20 0 GCADHN CCOC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001185872434 1205930183 /nfs/dbraw/zinc/93/01/83/1205930183.db2.gz HGXSKSYIFGMNFY-JKSUJKDBSA-N 0 3 376.457 0.930 20 0 GCADHN CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NC1(CO)CCN(C)CC1 ZINC001185849225 1205930709 /nfs/dbraw/zinc/93/07/09/1205930709.db2.gz YTICNPKXXDLFBX-HUUCEWRRSA-N 0 3 399.488 0.358 20 0 GCADHN CC(C)(C)OC(=O)NC1CCN([C@H]2CCN(C(=O)CN3CC[C@H](O)C3)C2)CC1 ZINC001186044992 1205934088 /nfs/dbraw/zinc/93/40/88/1205934088.db2.gz NYJVJFVBINUJBX-IRXDYDNUSA-N 0 3 396.532 0.643 20 0 GCADHN COC(=O)c1cccc(CN2CCC(NC(=O)CN3CC[C@H](O)C3)CC2)c1 ZINC001186055090 1205934379 /nfs/dbraw/zinc/93/43/79/1205934379.db2.gz KLCGTGRLUDZNAB-SFHVURJKSA-N 0 3 375.469 0.620 20 0 GCADHN CC(=O)NCCNC(=O)CCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000269593811 1205936912 /nfs/dbraw/zinc/93/69/12/1205936912.db2.gz DBJRINGVBYVOAB-HNNXBMFYSA-N 0 3 389.500 0.756 20 0 GCADHN Cc1cc2n[nH]cc2cc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC001186279330 1205937187 /nfs/dbraw/zinc/93/71/87/1205937187.db2.gz VWXVTUHIGXINBV-ZDUSSCGKSA-N 0 3 379.486 0.737 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000775025711 1205940808 /nfs/dbraw/zinc/94/08/08/1205940808.db2.gz CHAMNXYHQRFQJW-OAHLLOKOSA-N 0 3 382.505 0.960 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc(C)c1 ZINC000775036974 1205943743 /nfs/dbraw/zinc/94/37/43/1205943743.db2.gz ZEGDJXZVKFREDF-MOPGFXCFSA-N 0 3 388.512 0.917 20 0 GCADHN COCCN(C)CCN1C[C@H](Nc2nc(Cl)nc3[nH]c(=O)[nH]c32)CC1=O ZINC001186757240 1205946769 /nfs/dbraw/zinc/94/67/69/1205946769.db2.gz OOZSEKYZKUDNTO-SECBINFHSA-N 0 3 383.840 0.303 20 0 GCADHN CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001186727349 1205947378 /nfs/dbraw/zinc/94/73/78/1205947378.db2.gz LAOKCKCBVDTRKS-HUUCEWRRSA-N 0 3 390.484 0.866 20 0 GCADHN CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCN2CCCN(C)CC2)C1 ZINC001186805994 1205947736 /nfs/dbraw/zinc/94/77/36/1205947736.db2.gz KOFHVDNHOZONGV-OXQOHEQNSA-N 0 3 395.500 0.248 20 0 GCADHN CN1CCC[C@@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 ZINC001187535156 1205965246 /nfs/dbraw/zinc/96/52/46/1205965246.db2.gz XUWFZFYZLRNUDK-XWSJACJDSA-N 0 3 398.507 0.545 20 0 GCADHN COCCn1ccc(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)n1 ZINC001187901792 1205970805 /nfs/dbraw/zinc/97/08/05/1205970805.db2.gz PPUHMFAABSYDAG-UHFFFAOYSA-N 0 3 396.455 0.856 20 0 GCADHN CC(C)n1cnc(C(=O)N2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)n1 ZINC001188034742 1205974706 /nfs/dbraw/zinc/97/47/06/1205974706.db2.gz CDWDTPQQISHLHN-UHFFFAOYSA-N 0 3 391.520 0.169 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC2CCN([C@H]3CCOC3=O)CC2)cc1 ZINC001188254853 1205978035 /nfs/dbraw/zinc/97/80/35/1205978035.db2.gz PVFAIKQPZPOICA-KRWDZBQOSA-N 0 3 381.498 0.806 20 0 GCADHN CC(C)(C)OC(=O)N1CCN2C[C@@H](CNC(=O)c3cncnc3N)C[C@H]2C1 ZINC001189117202 1205995516 /nfs/dbraw/zinc/99/55/16/1205995516.db2.gz BSSCQCJSWZRLKV-OLZOCXBDSA-N 0 3 376.461 0.730 20 0 GCADHN CN(C1CN(C(=O)c2n[nH]cc2I)C1)[C@H]1CCOC1 ZINC001189137795 1205997464 /nfs/dbraw/zinc/99/74/64/1205997464.db2.gz NCLQDSIGIFAMMH-QMMMGPOBSA-N 0 3 376.198 0.559 20 0 GCADHN O=C(Cc1ccon1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001110407913 1206004966 /nfs/dbraw/zinc/00/49/66/1206004966.db2.gz IGGCBQPVZRBAIK-RQJABVFESA-N 0 3 377.363 0.878 20 0 GCADHN CCCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1C)C2 ZINC001110410119 1206009523 /nfs/dbraw/zinc/00/95/23/1206009523.db2.gz WNKDOIUVYPEABX-MCIONIFRSA-N 0 3 376.461 0.597 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000429489459 1206010185 /nfs/dbraw/zinc/01/01/85/1206010185.db2.gz LHSXIWAPZJYFIJ-GJZGRUSLSA-N 0 3 396.454 0.474 20 0 GCADHN COc1cc(S(N)(=O)=O)cc(C(=O)N2C[C@H]3CCCN(C)[C@H]3C2)c1OC ZINC001189558823 1206010590 /nfs/dbraw/zinc/01/05/90/1206010590.db2.gz IBQVZDKECHJTAN-RISCZKNCSA-N 0 3 383.470 0.517 20 0 GCADHN CN(C)CCN1CCN(S(=O)(=O)Cc2cc(F)ccc2F)CCC1=O ZINC001189680977 1206013272 /nfs/dbraw/zinc/01/32/72/1206013272.db2.gz WBKNKQIYEFDVPD-UHFFFAOYSA-N 0 3 375.441 0.891 20 0 GCADHN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)N(CCN(C)C)CC1 ZINC001189825865 1206017281 /nfs/dbraw/zinc/01/72/81/1206017281.db2.gz UIKIPVDSEMEUBY-KRWDZBQOSA-N 0 3 390.484 0.576 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)c1cc(I)c[nH]c1=O ZINC001190609121 1206040312 /nfs/dbraw/zinc/04/03/12/1206040312.db2.gz SLZVVXUYJZTAPB-JTQLQIEISA-N 0 3 391.209 0.794 20 0 GCADHN Nc1cn(C(=O)c2cnc(C(F)(F)F)nc2)ccc1=NCCN1CCOCC1 ZINC001190367614 1206033879 /nfs/dbraw/zinc/03/38/79/1206033879.db2.gz REWGKKHRHQDKLI-UHFFFAOYSA-N 0 3 396.373 0.801 20 0 GCADHN CN(C)CCN1CCN(S(=O)(=O)c2cc(F)cc(F)c2F)CCC1=O ZINC001190375714 1206034450 /nfs/dbraw/zinc/03/44/50/1206034450.db2.gz LOAOUUUBDSYEGN-UHFFFAOYSA-N 0 3 379.404 0.889 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)Nc3[nH]c(=O)cnc3C(=O)OC)cc2)CC1 ZINC001190865846 1206049028 /nfs/dbraw/zinc/04/90/28/1206049028.db2.gz MCUXFUVLFCVUQG-UHFFFAOYSA-N 0 3 399.451 0.946 20 0 GCADHN CSC1(CNS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCN(C)CC1 ZINC001190931595 1206050437 /nfs/dbraw/zinc/05/04/37/1206050437.db2.gz ZWZMNDANRYZPII-CYBMUJFWSA-N 0 3 384.589 0.558 20 0 GCADHN CCS(=O)(=O)c1cc(C(F)(F)N2CCNC(=O)C23CNC3)cnc1Cl ZINC001164413431 718879744 /nfs/dbraw/zinc/87/97/44/718879744.db2.gz IADCZVLMRJUBKE-UHFFFAOYSA-N 0 3 394.831 0.352 20 0 GCADHN Clc1cc(N2CCn3c(CN4CCOCC4)nnc3C2)c2c(n1)CNCC2 ZINC001164680266 719584302 /nfs/dbraw/zinc/58/43/02/719584302.db2.gz KZNQVNRORWCAAW-UHFFFAOYSA-N 0 3 389.891 0.825 20 0 GCADHN CN1CCN(c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)CC1 ZINC001164743660 720622145 /nfs/dbraw/zinc/62/21/45/720622145.db2.gz PZMVCYGWFMOIKX-DLBZAZTESA-N 0 3 396.499 0.360 20 0 GCADHN CN1CCN(c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)CC1 ZINC001164743679 720622442 /nfs/dbraw/zinc/62/24/42/720622442.db2.gz PZMVCYGWFMOIKX-IRXDYDNUSA-N 0 3 396.499 0.360 20 0 GCADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(N5CCN(C)CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762668 721080324 /nfs/dbraw/zinc/08/03/24/721080324.db2.gz FFHBNUDWHSDLMH-OALUTQOASA-N 0 3 396.543 0.920 20 0 GCADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(S(N)(=O)=O)cn4)C[C@H]3C2)cn1 ZINC001164769894 721113306 /nfs/dbraw/zinc/11/33/06/721113306.db2.gz PXZMGDZZABZQEU-HUUCEWRRSA-N 0 3 376.486 0.421 20 0 GCADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(S(N)(=O)=O)cn4)C[C@@H]3C2)cn1 ZINC001164769893 721113499 /nfs/dbraw/zinc/11/34/99/721113499.db2.gz PXZMGDZZABZQEU-GJZGRUSLSA-N 0 3 376.486 0.421 20 0 GCADHN CN1CCN(c2ncnc3c2CCN(c2cc4c(nn2)CCNC4)CC3)CC1 ZINC001164997175 722235529 /nfs/dbraw/zinc/23/55/29/722235529.db2.gz NMNBLXMNBLHOHL-UHFFFAOYSA-N 0 3 380.500 0.269 20 0 GCADHN CN(C(=O)Cn1cncn1)C1CC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571257727 945343623 /nfs/dbraw/zinc/34/36/23/945343623.db2.gz IBMJVOBNGNKEDQ-UHFFFAOYSA-N 0 3 385.407 0.377 20 0 GCADHN CN(C(=O)Cn1cncn1)C1CC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571257727 945343633 /nfs/dbraw/zinc/34/36/33/945343633.db2.gz IBMJVOBNGNKEDQ-UHFFFAOYSA-N 0 3 385.407 0.377 20 0 GCADHN O=C(Cn1cncn1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571257715 945343680 /nfs/dbraw/zinc/34/36/80/945343680.db2.gz HRCMHBJEYZCIHV-CYBMUJFWSA-N 0 3 385.407 0.378 20 0 GCADHN O=C(Cn1cncn1)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571257715 945343688 /nfs/dbraw/zinc/34/36/88/945343688.db2.gz HRCMHBJEYZCIHV-CYBMUJFWSA-N 0 3 385.407 0.378 20 0 GCADHN O=C(Cn1cncn1)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571258005 945344167 /nfs/dbraw/zinc/34/41/67/945344167.db2.gz KXDQEYCZALEKDJ-ZDUSSCGKSA-N 0 3 385.407 0.378 20 0 GCADHN CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)nn1 ZINC001571257850 945344621 /nfs/dbraw/zinc/34/46/21/945344621.db2.gz KFQZEPULGQRXTQ-TXEJJXNPSA-N 0 3 385.407 0.668 20 0 GCADHN CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)nn1 ZINC001571257850 945344630 /nfs/dbraw/zinc/34/46/30/945344630.db2.gz KFQZEPULGQRXTQ-TXEJJXNPSA-N 0 3 385.407 0.668 20 0 GCADHN O=C(Cn1cncn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571258003 945345807 /nfs/dbraw/zinc/34/58/07/945345807.db2.gz KXDQEYCZALEKDJ-CYBMUJFWSA-N 0 3 385.407 0.378 20 0 GCADHN Cn1nncc1C(=O)N1CCC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571258265 945350279 /nfs/dbraw/zinc/35/02/79/945350279.db2.gz OHXPSSXLANVQNL-CYBMUJFWSA-N 0 3 385.407 0.529 20 0 GCADHN O=C(c1nc[nH]n1)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571262968 945447949 /nfs/dbraw/zinc/44/79/49/945447949.db2.gz DMSPGFVDLMSTRB-INIZCTEOSA-N 0 3 385.457 0.785 20 0 GCADHN O=C(c1nc[nH]n1)N1CC[C@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571262968 945447953 /nfs/dbraw/zinc/44/79/53/945447953.db2.gz DMSPGFVDLMSTRB-INIZCTEOSA-N 0 3 385.457 0.785 20 0 GCADHN CN1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571264244 945479781 /nfs/dbraw/zinc/47/97/81/945479781.db2.gz JPKLGFNAJSEGKH-DJIMGWMZSA-N 0 3 385.472 0.182 20 0 GCADHN C[C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571264384 945481748 /nfs/dbraw/zinc/48/17/48/945481748.db2.gz NEBRLRMHOURALF-WMLDXEAASA-N 0 3 385.472 0.135 20 0 GCADHN C[C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571264384 945481750 /nfs/dbraw/zinc/48/17/50/945481750.db2.gz NEBRLRMHOURALF-WMLDXEAASA-N 0 3 385.472 0.135 20 0 GCADHN CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571264326 945482022 /nfs/dbraw/zinc/48/20/22/945482022.db2.gz LGEFRSNNQHTSPV-BRWVUGGUSA-N 0 3 385.472 0.324 20 0 GCADHN CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571264326 945482026 /nfs/dbraw/zinc/48/20/26/945482026.db2.gz LGEFRSNNQHTSPV-BRWVUGGUSA-N 0 3 385.472 0.324 20 0 GCADHN CCN1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571264427 945482933 /nfs/dbraw/zinc/48/29/33/945482933.db2.gz OLTHDRTWXISZRA-RDJZCZTQSA-N 0 3 385.472 0.278 20 0 GCADHN CN1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571264700 945489283 /nfs/dbraw/zinc/48/92/83/945489283.db2.gz UQGUPTZEPCVLHR-LXZKKBNFSA-N 0 3 385.472 0.182 20 0 GCADHN CN1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571264700 945489287 /nfs/dbraw/zinc/48/92/87/945489287.db2.gz UQGUPTZEPCVLHR-LXZKKBNFSA-N 0 3 385.472 0.182 20 0 GCADHN C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001571264910 945495196 /nfs/dbraw/zinc/49/51/96/945495196.db2.gz AFNHXFYSODCJRN-TZMCWYRMSA-N 0 3 385.476 0.472 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265065 945499279 /nfs/dbraw/zinc/49/92/79/945499279.db2.gz BMBQUUKHWFOVCU-TUVASFSCSA-N 0 3 385.472 0.919 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571265065 945499282 /nfs/dbraw/zinc/49/92/82/945499282.db2.gz BMBQUUKHWFOVCU-TUVASFSCSA-N 0 3 385.472 0.919 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@@H+](CCC[C@@H]3CCOC3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265065 945499287 /nfs/dbraw/zinc/49/92/87/945499287.db2.gz BMBQUUKHWFOVCU-TUVASFSCSA-N 0 3 385.472 0.919 20 0 GCADHN O=C(NC[C@@H]1[C@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571265065 945499293 /nfs/dbraw/zinc/49/92/93/945499293.db2.gz BMBQUUKHWFOVCU-TUVASFSCSA-N 0 3 385.472 0.919 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C[N@@H+]1C1CC1 ZINC000820657814 945511798 /nfs/dbraw/zinc/51/17/98/945511798.db2.gz MZOPJBLDEDKTCM-KGLIPLIRSA-N 0 3 397.487 0.719 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C[N@H+]1C1CC1 ZINC000820657814 945511803 /nfs/dbraw/zinc/51/18/03/945511803.db2.gz MZOPJBLDEDKTCM-KGLIPLIRSA-N 0 3 397.487 0.719 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001571265484 945511875 /nfs/dbraw/zinc/51/18/75/945511875.db2.gz KWKWJKAMUIVLJL-AWEZNQCLSA-N 0 3 385.476 0.346 20 0 GCADHN CN(C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571265532 945514632 /nfs/dbraw/zinc/51/46/32/945514632.db2.gz HWLFNSBCISLBOY-AWEZNQCLSA-N 0 3 385.476 0.427 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571265704 945517893 /nfs/dbraw/zinc/51/78/93/945517893.db2.gz IUERIZAZLWSDFD-UKRRQHHQSA-N 0 3 385.476 0.567 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571265704 945517898 /nfs/dbraw/zinc/51/78/98/945517898.db2.gz IUERIZAZLWSDFD-UKRRQHHQSA-N 0 3 385.476 0.567 20 0 GCADHN CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571265727 945518639 /nfs/dbraw/zinc/51/86/39/945518639.db2.gz JDQPJPIAFIQEPX-ZFWWWQNUSA-N 0 3 385.476 0.616 20 0 GCADHN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571265727 945518647 /nfs/dbraw/zinc/51/86/47/945518647.db2.gz JDQPJPIAFIQEPX-ZFWWWQNUSA-N 0 3 385.476 0.616 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265898 945525030 /nfs/dbraw/zinc/52/50/30/945525030.db2.gz SGPDVKVTQUKSHZ-UKRRQHHQSA-N 0 3 385.476 0.792 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265898 945525039 /nfs/dbraw/zinc/52/50/39/945525039.db2.gz SGPDVKVTQUKSHZ-UKRRQHHQSA-N 0 3 385.476 0.792 20 0 GCADHN C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571266259 945537463 /nfs/dbraw/zinc/53/74/63/945537463.db2.gz YOTFODKAYYQSSO-KBPBESRZSA-N 0 3 385.476 0.792 20 0 GCADHN C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571266259 945537469 /nfs/dbraw/zinc/53/74/69/945537469.db2.gz YOTFODKAYYQSSO-KBPBESRZSA-N 0 3 385.476 0.792 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266381 945538494 /nfs/dbraw/zinc/53/84/94/945538494.db2.gz PNHAIVGWSWPIRJ-SSDMNJCBSA-N 0 3 385.476 0.838 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266381 945538501 /nfs/dbraw/zinc/53/85/01/945538501.db2.gz PNHAIVGWSWPIRJ-SSDMNJCBSA-N 0 3 385.476 0.838 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571266371 945539611 /nfs/dbraw/zinc/53/96/11/945539611.db2.gz PIBNKNHTKDMTEY-ZFWWWQNUSA-N 0 3 385.476 0.932 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571266371 945539615 /nfs/dbraw/zinc/53/96/15/945539615.db2.gz PIBNKNHTKDMTEY-ZFWWWQNUSA-N 0 3 385.476 0.932 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266473 945541630 /nfs/dbraw/zinc/54/16/30/945541630.db2.gz RKCBYZMDFQSPDE-ZFWWWQNUSA-N 0 3 385.476 0.615 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266473 945541638 /nfs/dbraw/zinc/54/16/38/945541638.db2.gz RKCBYZMDFQSPDE-ZFWWWQNUSA-N 0 3 385.476 0.615 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266711 945549677 /nfs/dbraw/zinc/54/96/77/945549677.db2.gz XRIFTHFOEJETKO-HIFRSBDPSA-N 0 3 385.476 0.615 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266711 945549680 /nfs/dbraw/zinc/54/96/80/945549680.db2.gz XRIFTHFOEJETKO-HIFRSBDPSA-N 0 3 385.476 0.615 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571267476 945571185 /nfs/dbraw/zinc/57/11/85/945571185.db2.gz WHIHWVPTMNTOSB-PHIMTYICSA-N 0 3 386.391 0.794 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571267476 945571188 /nfs/dbraw/zinc/57/11/88/945571188.db2.gz WHIHWVPTMNTOSB-PHIMTYICSA-N 0 3 386.391 0.794 20 0 GCADHN Cn1c(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)c[nH]c1=O ZINC001571268003 945585884 /nfs/dbraw/zinc/58/58/84/945585884.db2.gz KZPLYIOUVJGSDV-NSHDSACASA-N 0 3 386.391 0.449 20 0 GCADHN Cn1c(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)c[nH]c1=O ZINC001571268003 945585889 /nfs/dbraw/zinc/58/58/89/945585889.db2.gz KZPLYIOUVJGSDV-NSHDSACASA-N 0 3 386.391 0.449 20 0 GCADHN Cc1nnc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)o1 ZINC001571268933 945607851 /nfs/dbraw/zinc/60/78/51/945607851.db2.gz ZXSSNZCIMYFUCJ-TXEJJXNPSA-N 0 3 386.391 0.677 20 0 GCADHN Cc1nnc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)o1 ZINC001571268933 945607855 /nfs/dbraw/zinc/60/78/55/945607855.db2.gz ZXSSNZCIMYFUCJ-TXEJJXNPSA-N 0 3 386.391 0.677 20 0 GCADHN O=C(N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)C12CCC[NH+]1CCC2 ZINC001571269414 945619012 /nfs/dbraw/zinc/61/90/12/945619012.db2.gz XUYQFKGYFURKSB-UHFFFAOYSA-N 0 3 386.435 0.678 20 0 GCADHN O=C(N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)C12CCC[NH+]1CCC2 ZINC001571269414 945619021 /nfs/dbraw/zinc/61/90/21/945619021.db2.gz XUYQFKGYFURKSB-UHFFFAOYSA-N 0 3 386.435 0.678 20 0 GCADHN O=C(c1cnsn1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571270628 945639543 /nfs/dbraw/zinc/63/95/43/945639543.db2.gz XCPPYZNAFNJJBK-ZDUSSCGKSA-N 0 3 386.441 0.349 20 0 GCADHN O=C(c1cnsn1)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571270628 945639546 /nfs/dbraw/zinc/63/95/46/945639546.db2.gz XCPPYZNAFNJJBK-ZDUSSCGKSA-N 0 3 386.441 0.349 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821189495 945649667 /nfs/dbraw/zinc/64/96/67/945649667.db2.gz MWZAOXTVYJUNBH-SJORKVTESA-N 0 3 387.488 0.826 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001571272197 945655424 /nfs/dbraw/zinc/65/54/24/945655424.db2.gz AVEZCYXDJSJKOD-LBPRGKRZSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001571272197 945655429 /nfs/dbraw/zinc/65/54/29/945655429.db2.gz AVEZCYXDJSJKOD-LBPRGKRZSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001571272197 945655434 /nfs/dbraw/zinc/65/54/34/945655434.db2.gz AVEZCYXDJSJKOD-LBPRGKRZSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001571272197 945655438 /nfs/dbraw/zinc/65/54/38/945655438.db2.gz AVEZCYXDJSJKOD-LBPRGKRZSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)C1 ZINC001571272252 945658762 /nfs/dbraw/zinc/65/87/62/945658762.db2.gz BUHXHQODASQEFA-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)C1 ZINC001571272252 945658766 /nfs/dbraw/zinc/65/87/66/945658766.db2.gz BUHXHQODASQEFA-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)C1 ZINC001571272252 945658769 /nfs/dbraw/zinc/65/87/69/945658769.db2.gz BUHXHQODASQEFA-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)C1 ZINC001571272252 945658774 /nfs/dbraw/zinc/65/87/74/945658774.db2.gz BUHXHQODASQEFA-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001571272413 945661382 /nfs/dbraw/zinc/66/13/82/945661382.db2.gz DBEDZJRHGVJTNN-SGMGOOAPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001571272413 945661384 /nfs/dbraw/zinc/66/13/84/945661384.db2.gz DBEDZJRHGVJTNN-SGMGOOAPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001571272413 945661391 /nfs/dbraw/zinc/66/13/91/945661391.db2.gz DBEDZJRHGVJTNN-SGMGOOAPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001571272413 945661392 /nfs/dbraw/zinc/66/13/92/945661392.db2.gz DBEDZJRHGVJTNN-SGMGOOAPSA-N 0 3 386.460 0.256 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571272408 945661566 /nfs/dbraw/zinc/66/15/66/945661566.db2.gz CZVPGPBGXCYPQU-OCCSQVGLSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001571272408 945661571 /nfs/dbraw/zinc/66/15/71/945661571.db2.gz CZVPGPBGXCYPQU-OCCSQVGLSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571272408 945661575 /nfs/dbraw/zinc/66/15/75/945661575.db2.gz CZVPGPBGXCYPQU-OCCSQVGLSA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001571272408 945661579 /nfs/dbraw/zinc/66/15/79/945661579.db2.gz CZVPGPBGXCYPQU-OCCSQVGLSA-N 0 3 386.460 0.210 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@@H+]1C ZINC001571272643 945667781 /nfs/dbraw/zinc/66/77/81/945667781.db2.gz GWCFDZYBXHFJEJ-MRVWCRGKSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC[N@H+]1C ZINC001571272643 945667785 /nfs/dbraw/zinc/66/77/85/945667785.db2.gz GWCFDZYBXHFJEJ-MRVWCRGKSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@@H+]1C ZINC001571272643 945667789 /nfs/dbraw/zinc/66/77/89/945667789.db2.gz GWCFDZYBXHFJEJ-MRVWCRGKSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC[N@H+]1C ZINC001571272643 945667793 /nfs/dbraw/zinc/66/77/93/945667793.db2.gz GWCFDZYBXHFJEJ-MRVWCRGKSA-N 0 3 386.460 0.256 20 0 GCADHN C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571272629 945667830 /nfs/dbraw/zinc/66/78/30/945667830.db2.gz GOCQUYDZTTWPEO-KGLIPLIRSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571272629 945667834 /nfs/dbraw/zinc/66/78/34/945667834.db2.gz GOCQUYDZTTWPEO-KGLIPLIRSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571272629 945667838 /nfs/dbraw/zinc/66/78/38/945667838.db2.gz GOCQUYDZTTWPEO-KGLIPLIRSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571272629 945667843 /nfs/dbraw/zinc/66/78/43/945667843.db2.gz GOCQUYDZTTWPEO-KGLIPLIRSA-N 0 3 386.460 0.400 20 0 GCADHN O=C(N[C@H]1CCC[N@H+](CCN2CCCC2=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571272893 945673942 /nfs/dbraw/zinc/67/39/42/945673942.db2.gz KHSCYOOLZJDICO-ZDUSSCGKSA-N 0 3 386.460 0.402 20 0 GCADHN O=C(N[C@H]1CCC[N@@H+](CCN2CCCC2=O)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571272893 945673947 /nfs/dbraw/zinc/67/39/47/945673947.db2.gz KHSCYOOLZJDICO-ZDUSSCGKSA-N 0 3 386.460 0.402 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001571273066 945677721 /nfs/dbraw/zinc/67/77/21/945677721.db2.gz OHGXJVKMWYJTOU-IAQYHMDHSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001571273066 945677724 /nfs/dbraw/zinc/67/77/24/945677724.db2.gz OHGXJVKMWYJTOU-IAQYHMDHSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001571273017 945677795 /nfs/dbraw/zinc/67/77/95/945677795.db2.gz NCHJJCMILCYHSE-MBNYWOFBSA-N 0 3 386.460 0.256 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821351015 945677950 /nfs/dbraw/zinc/67/79/50/945677950.db2.gz ITFYXXGMCKLZLO-CQSZACIVSA-N 0 3 375.433 0.278 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC[N@@H+]1C ZINC001571273172 945681033 /nfs/dbraw/zinc/68/10/33/945681033.db2.gz RJUWUMIGVSVNFN-TYNCELHUSA-N 0 3 386.460 0.256 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC[N@H+]1C ZINC001571273172 945681038 /nfs/dbraw/zinc/68/10/38/945681038.db2.gz RJUWUMIGVSVNFN-TYNCELHUSA-N 0 3 386.460 0.256 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC[N@@H+]1C ZINC001571273172 945681047 /nfs/dbraw/zinc/68/10/47/945681047.db2.gz RJUWUMIGVSVNFN-TYNCELHUSA-N 0 3 386.460 0.256 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC[N@H+]1C ZINC001571273172 945681055 /nfs/dbraw/zinc/68/10/55/945681055.db2.gz RJUWUMIGVSVNFN-TYNCELHUSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001571273299 945684659 /nfs/dbraw/zinc/68/46/59/945684659.db2.gz UYPFBPTXBLJFCC-MHDGFBEUSA-N 0 3 386.460 0.160 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001571273299 945684664 /nfs/dbraw/zinc/68/46/64/945684664.db2.gz UYPFBPTXBLJFCC-MHDGFBEUSA-N 0 3 386.460 0.160 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001571273299 945684669 /nfs/dbraw/zinc/68/46/69/945684669.db2.gz UYPFBPTXBLJFCC-MHDGFBEUSA-N 0 3 386.460 0.160 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001571273299 945684673 /nfs/dbraw/zinc/68/46/73/945684673.db2.gz UYPFBPTXBLJFCC-MHDGFBEUSA-N 0 3 386.460 0.160 20 0 GCADHN O=C(N[C@@H]1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571273416 945687786 /nfs/dbraw/zinc/68/77/86/945687786.db2.gz XDQVZLVCIBMWMF-ZIAGYGMSSA-N 0 3 386.460 0.448 20 0 GCADHN O=C(N[C@@H]1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571273416 945687792 /nfs/dbraw/zinc/68/77/92/945687792.db2.gz XDQVZLVCIBMWMF-ZIAGYGMSSA-N 0 3 386.460 0.448 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001571273428 945689105 /nfs/dbraw/zinc/68/91/05/945689105.db2.gz XLHZGWBIHUZIQX-JSGCOSHPSA-N 0 3 386.460 0.305 20 0 GCADHN CC(C)(C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCC1 ZINC001571275671 945712363 /nfs/dbraw/zinc/71/23/63/945712363.db2.gz AGDWAVQNUHVKNJ-ZDUSSCGKSA-N 0 3 386.460 0.400 20 0 GCADHN COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275708 945714324 /nfs/dbraw/zinc/71/43/24/945714324.db2.gz BDUJDSQKJSSCRB-LSDHHAIUSA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275708 945714336 /nfs/dbraw/zinc/71/43/36/945714336.db2.gz BDUJDSQKJSSCRB-LSDHHAIUSA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275708 945714358 /nfs/dbraw/zinc/71/43/58/945714358.db2.gz BDUJDSQKJSSCRB-LSDHHAIUSA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275708 945714365 /nfs/dbraw/zinc/71/43/65/945714365.db2.gz BDUJDSQKJSSCRB-LSDHHAIUSA-N 0 3 386.456 0.850 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)cc1-c1nnn[n-]1 ZINC001571275777 945716319 /nfs/dbraw/zinc/71/63/19/945716319.db2.gz CDKMDRVQRCBWFV-CABCVRRESA-N 0 3 386.456 0.992 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC001571275777 945716323 /nfs/dbraw/zinc/71/63/23/945716323.db2.gz CDKMDRVQRCBWFV-CABCVRRESA-N 0 3 386.456 0.992 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001571275861 945718013 /nfs/dbraw/zinc/71/80/13/945718013.db2.gz DKOKZCQBKJGEHH-BEFAXECRSA-N 0 3 386.456 0.992 20 0 GCADHN C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(=O)N1CCCCC1 ZINC001571276113 945724766 /nfs/dbraw/zinc/72/47/66/945724766.db2.gz HHUVXGHYNAIQIN-JHJVBQTASA-N 0 3 386.460 0.446 20 0 GCADHN O=C([C@@H]1CCNC(=O)C1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571277377 945741044 /nfs/dbraw/zinc/74/10/44/945741044.db2.gz POOUZOLNEZMJFZ-OLZOCXBDSA-N 0 3 387.419 0.223 20 0 GCADHN O=C([C@@H]1CCNC(=O)C1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571277377 945741052 /nfs/dbraw/zinc/74/10/52/945741052.db2.gz POOUZOLNEZMJFZ-OLZOCXBDSA-N 0 3 387.419 0.223 20 0 GCADHN CC(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571277472 945743345 /nfs/dbraw/zinc/74/33/45/945743345.db2.gz KPWSQOZGZSYQHL-ZOWXZIJZSA-N 0 3 386.460 0.302 20 0 GCADHN C[C@@]1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001571278679 945758819 /nfs/dbraw/zinc/75/88/19/945758819.db2.gz QQHLRQVGHGYQDX-KZULUSFZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@]1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001571278679 945758827 /nfs/dbraw/zinc/75/88/27/945758827.db2.gz QQHLRQVGHGYQDX-KZULUSFZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@]1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001571278679 945758840 /nfs/dbraw/zinc/75/88/40/945758840.db2.gz QQHLRQVGHGYQDX-KZULUSFZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@]1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC001571278679 945758848 /nfs/dbraw/zinc/75/88/48/945758848.db2.gz QQHLRQVGHGYQDX-KZULUSFZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001571278983 945767504 /nfs/dbraw/zinc/76/75/04/945767504.db2.gz TYOMTVRRIOSSAK-SMDDNHRTSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001571278983 945767509 /nfs/dbraw/zinc/76/75/09/945767509.db2.gz TYOMTVRRIOSSAK-SMDDNHRTSA-N 0 3 386.460 0.256 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC(OC)C3)C2)cc1-c1nnn[n-]1 ZINC001571279649 945784886 /nfs/dbraw/zinc/78/48/86/945784886.db2.gz XMOTXFOIWKFILD-SHARSMKWSA-N 0 3 386.456 0.991 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC(OC)C3)C2)cc1-c1nn[n-]n1 ZINC001571279649 945784894 /nfs/dbraw/zinc/78/48/94/945784894.db2.gz XMOTXFOIWKFILD-SHARSMKWSA-N 0 3 386.456 0.991 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)OC)C[C@H]3C2)cc1-c1nnn[n-]1 ZINC001571279997 945792745 /nfs/dbraw/zinc/79/27/45/945792745.db2.gz YXNIDISBVLXGIC-AEGPPILISA-N 0 3 386.456 0.800 20 0 GCADHN COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)OC)C[C@H]3C2)cc1-c1nnn[n-]1 ZINC001571279997 945792754 /nfs/dbraw/zinc/79/27/54/945792754.db2.gz YXNIDISBVLXGIC-AEGPPILISA-N 0 3 386.456 0.800 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)OC)C[C@H]3C2)cc1-c1nn[n-]n1 ZINC001571279997 945792760 /nfs/dbraw/zinc/79/27/60/945792760.db2.gz YXNIDISBVLXGIC-AEGPPILISA-N 0 3 386.456 0.800 20 0 GCADHN COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)OC)C[C@H]3C2)cc1-c1nn[n-]n1 ZINC001571279997 945792765 /nfs/dbraw/zinc/79/27/65/945792765.db2.gz YXNIDISBVLXGIC-AEGPPILISA-N 0 3 386.456 0.800 20 0 GCADHN C[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571281593 945807640 /nfs/dbraw/zinc/80/76/40/945807640.db2.gz JNKJSQYSGYGHAR-GHMZBOCLSA-N 0 3 387.473 0.473 20 0 GCADHN C[NH+](C)CCn1cc(C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)cn1 ZINC001571281748 945811959 /nfs/dbraw/zinc/81/19/59/945811959.db2.gz MZLFUDQTXXSKCP-UHFFFAOYSA-N 0 3 387.473 0.467 20 0 GCADHN C[NH+](C)CCn1cc(C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)cn1 ZINC001571281748 945811974 /nfs/dbraw/zinc/81/19/74/945811974.db2.gz MZLFUDQTXXSKCP-UHFFFAOYSA-N 0 3 387.473 0.467 20 0 GCADHN Cc1nnsc1C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571281992 945823001 /nfs/dbraw/zinc/82/30/01/945823001.db2.gz QUCNLXKXMSXKEZ-BXKDBHETSA-N 0 3 387.473 0.853 20 0 GCADHN CC[C@@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)[NH+](C)C ZINC001571283179 945879027 /nfs/dbraw/zinc/87/90/27/945879027.db2.gz AZPAQUHQOIRCEV-HIFRSBDPSA-N 0 3 387.492 0.672 20 0 GCADHN CC(C)[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)[NH+](C)C ZINC001571284245 945900486 /nfs/dbraw/zinc/90/04/86/945900486.db2.gz OCLXEKBIAFHLKO-DZGCQCFKSA-N 0 3 387.492 0.892 20 0 GCADHN CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)n1 ZINC001571284416 945901067 /nfs/dbraw/zinc/90/10/67/945901067.db2.gz QERNXFNGAKWUSN-GXTWGEPZSA-N 0 3 387.492 0.596 20 0 GCADHN O=C(C1=COCCO1)N1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001571285341 945913150 /nfs/dbraw/zinc/91/31/50/945913150.db2.gz BNSXFGCGTZVZCL-UHFFFAOYSA-N 0 3 388.403 0.975 20 0 GCADHN O=C(C1=COCCO1)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571285341 945913160 /nfs/dbraw/zinc/91/31/60/945913160.db2.gz BNSXFGCGTZVZCL-UHFFFAOYSA-N 0 3 388.403 0.975 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573462091 945929651 /nfs/dbraw/zinc/92/96/51/945929651.db2.gz ZJKOBYNFOALNSB-OAHLLOKOSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573462091 945929662 /nfs/dbraw/zinc/92/96/62/945929662.db2.gz ZJKOBYNFOALNSB-OAHLLOKOSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573462273 945937167 /nfs/dbraw/zinc/93/71/67/945937167.db2.gz FKPDPAJSJITUEH-AWEZNQCLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573462273 945937175 /nfs/dbraw/zinc/93/71/75/945937175.db2.gz FKPDPAJSJITUEH-AWEZNQCLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573462273 945937180 /nfs/dbraw/zinc/93/71/80/945937180.db2.gz FKPDPAJSJITUEH-AWEZNQCLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573462273 945937187 /nfs/dbraw/zinc/93/71/87/945937187.db2.gz FKPDPAJSJITUEH-AWEZNQCLSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573464548 945965554 /nfs/dbraw/zinc/96/55/54/945965554.db2.gz LZMIUERTSXZKMJ-SNVBAGLBSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573465501 945973880 /nfs/dbraw/zinc/97/38/80/945973880.db2.gz ZWBWHLWTILMZOT-LLVKDONJSA-N 0 3 391.451 0.905 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573467426 945982168 /nfs/dbraw/zinc/98/21/68/945982168.db2.gz DPKTZKRUUINRIP-YVEFUNNKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573467426 945982175 /nfs/dbraw/zinc/98/21/75/945982175.db2.gz DPKTZKRUUINRIP-YVEFUNNKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573467748 945984624 /nfs/dbraw/zinc/98/46/24/945984624.db2.gz GYIWIMIXLBRZSH-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573467779 945984637 /nfs/dbraw/zinc/98/46/37/945984637.db2.gz HTJRMCMBZOBNMT-JOCQHMNTSA-N 0 3 389.435 0.657 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573467779 945984642 /nfs/dbraw/zinc/98/46/42/945984642.db2.gz HTJRMCMBZOBNMT-JOCQHMNTSA-N 0 3 389.435 0.657 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC001573468173 945990933 /nfs/dbraw/zinc/99/09/33/945990933.db2.gz LMPNEBSCQLYIQS-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC001573468173 945990937 /nfs/dbraw/zinc/99/09/37/945990937.db2.gz LMPNEBSCQLYIQS-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573468151 945991760 /nfs/dbraw/zinc/99/17/60/945991760.db2.gz LDWKOYWOMUWNTO-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573468151 945991770 /nfs/dbraw/zinc/99/17/70/945991770.db2.gz LDWKOYWOMUWNTO-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2C)cc1-c1nnn[n-]1 ZINC001571289496 946009792 /nfs/dbraw/zinc/00/97/92/946009792.db2.gz FZDPZBHRHWOPKV-IUODEOHRSA-N 0 3 388.472 0.973 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC(C)(C)O)C[C@H]2C)cc1-c1nn[n-]n1 ZINC001571289496 946009800 /nfs/dbraw/zinc/00/98/00/946009800.db2.gz FZDPZBHRHWOPKV-IUODEOHRSA-N 0 3 388.472 0.973 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573469892 946011678 /nfs/dbraw/zinc/01/16/78/946011678.db2.gz AAIOHYUOOIVLSU-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+](C)C ZINC001571289813 946017393 /nfs/dbraw/zinc/01/73/93/946017393.db2.gz NAOUZXLPAHLXHR-UKRRQHHQSA-N 0 3 388.476 0.502 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+](C)C ZINC001571289811 946017857 /nfs/dbraw/zinc/01/78/57/946017857.db2.gz NAOUZXLPAHLXHR-DZGCQCFKSA-N 0 3 388.476 0.502 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+](C)C ZINC001571289812 946018687 /nfs/dbraw/zinc/01/86/87/946018687.db2.gz NAOUZXLPAHLXHR-HIFRSBDPSA-N 0 3 388.476 0.502 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571289860 946019445 /nfs/dbraw/zinc/01/94/45/946019445.db2.gz OEXACUYKEPNOKD-TZMCWYRMSA-N 0 3 388.451 0.828 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571289860 946019451 /nfs/dbraw/zinc/01/94/51/946019451.db2.gz OEXACUYKEPNOKD-TZMCWYRMSA-N 0 3 388.451 0.828 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571289860 946019460 /nfs/dbraw/zinc/01/94/60/946019460.db2.gz OEXACUYKEPNOKD-TZMCWYRMSA-N 0 3 388.451 0.828 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571289860 946019471 /nfs/dbraw/zinc/01/94/71/946019471.db2.gz OEXACUYKEPNOKD-TZMCWYRMSA-N 0 3 388.451 0.828 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470379 946022988 /nfs/dbraw/zinc/02/29/88/946022988.db2.gz DJKVSMYSCARDHO-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470379 946023000 /nfs/dbraw/zinc/02/30/00/946023000.db2.gz DJKVSMYSCARDHO-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573470710 946032371 /nfs/dbraw/zinc/03/23/71/946032371.db2.gz JDTJZMFVYOZOLS-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573470710 946032384 /nfs/dbraw/zinc/03/23/84/946032384.db2.gz JDTJZMFVYOZOLS-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573470710 946032396 /nfs/dbraw/zinc/03/23/96/946032396.db2.gz JDTJZMFVYOZOLS-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573470710 946032411 /nfs/dbraw/zinc/03/24/11/946032411.db2.gz JDTJZMFVYOZOLS-CYBMUJFWSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573470693 946032731 /nfs/dbraw/zinc/03/27/31/946032731.db2.gz ISSSFYUNEVOQJI-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573470693 946032745 /nfs/dbraw/zinc/03/27/45/946032745.db2.gz ISSSFYUNEVOQJI-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470653 946032913 /nfs/dbraw/zinc/03/29/13/946032913.db2.gz IJKVXJSCZAFGSM-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573470653 946032926 /nfs/dbraw/zinc/03/29/26/946032926.db2.gz IJKVXJSCZAFGSM-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571290138 946033408 /nfs/dbraw/zinc/03/34/08/946033408.db2.gz VYGVROAMAXAOAK-GXTWGEPZSA-N 0 3 388.451 0.780 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571290138 946033419 /nfs/dbraw/zinc/03/34/19/946033419.db2.gz VYGVROAMAXAOAK-GXTWGEPZSA-N 0 3 388.451 0.780 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573470711 946034850 /nfs/dbraw/zinc/03/48/50/946034850.db2.gz JDTJZMFVYOZOLS-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573470711 946034864 /nfs/dbraw/zinc/03/48/64/946034864.db2.gz JDTJZMFVYOZOLS-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573470711 946034871 /nfs/dbraw/zinc/03/48/71/946034871.db2.gz JDTJZMFVYOZOLS-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573470711 946034878 /nfs/dbraw/zinc/03/48/78/946034878.db2.gz JDTJZMFVYOZOLS-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@@H+](C)C2)c1-c1nnn[n-]1 ZINC001571290306 946040228 /nfs/dbraw/zinc/04/02/28/946040228.db2.gz AAHVFPXXNGEDDL-FJJYHAOUSA-N 0 3 388.501 0.524 20 0 GCADHN Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@H+](C)C2)c1-c1nnn[n-]1 ZINC001571290306 946040239 /nfs/dbraw/zinc/04/02/39/946040239.db2.gz AAHVFPXXNGEDDL-FJJYHAOUSA-N 0 3 388.501 0.524 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573471229 946045828 /nfs/dbraw/zinc/04/58/28/946045828.db2.gz NHSREHHXWAOKKM-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573471229 946045842 /nfs/dbraw/zinc/04/58/42/946045842.db2.gz NHSREHHXWAOKKM-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573471239 946047573 /nfs/dbraw/zinc/04/75/73/946047573.db2.gz NIXZAOIUTDIEKJ-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573471239 946047584 /nfs/dbraw/zinc/04/75/84/946047584.db2.gz NIXZAOIUTDIEKJ-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573471239 946047596 /nfs/dbraw/zinc/04/75/96/946047596.db2.gz NIXZAOIUTDIEKJ-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573471239 946047606 /nfs/dbraw/zinc/04/76/06/946047606.db2.gz NIXZAOIUTDIEKJ-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573471684 946054691 /nfs/dbraw/zinc/05/46/91/946054691.db2.gz QFZRTXVYYLRMFX-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573471694 946056699 /nfs/dbraw/zinc/05/66/99/946056699.db2.gz QKCAQCYZCIIGRY-GWCFXTLKSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573471913 946058104 /nfs/dbraw/zinc/05/81/04/946058104.db2.gz SBORNRMSYJBJFZ-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573471913 946058110 /nfs/dbraw/zinc/05/81/10/946058110.db2.gz SBORNRMSYJBJFZ-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573471913 946058119 /nfs/dbraw/zinc/05/81/19/946058119.db2.gz SBORNRMSYJBJFZ-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC([N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573471913 946058132 /nfs/dbraw/zinc/05/81/32/946058132.db2.gz SBORNRMSYJBJFZ-ZDUSSCGKSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573472391 946063191 /nfs/dbraw/zinc/06/31/91/946063191.db2.gz VZOBAXFNTHWVMF-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573472391 946063202 /nfs/dbraw/zinc/06/32/02/946063202.db2.gz VZOBAXFNTHWVMF-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573472633 946067488 /nfs/dbraw/zinc/06/74/88/946067488.db2.gz WSHCIGILTMRWLM-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573472633 946067496 /nfs/dbraw/zinc/06/74/96/946067496.db2.gz WSHCIGILTMRWLM-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573472943 946070298 /nfs/dbraw/zinc/07/02/98/946070298.db2.gz YCWMGSFBJMDPJW-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573473676 946083699 /nfs/dbraw/zinc/08/36/99/946083699.db2.gz FDGLFARLYHATAE-IIYDPXPESA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573473676 946083715 /nfs/dbraw/zinc/08/37/15/946083715.db2.gz FDGLFARLYHATAE-IIYDPXPESA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573474177 946090159 /nfs/dbraw/zinc/09/01/59/946090159.db2.gz IXWXGKSTZQDLEC-BLVKFPJESA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573474177 946090174 /nfs/dbraw/zinc/09/01/74/946090174.db2.gz IXWXGKSTZQDLEC-BLVKFPJESA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573474623 946091159 /nfs/dbraw/zinc/09/11/59/946091159.db2.gz LXUVJCKQAAEBGL-CWTRNNRKSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573474623 946091173 /nfs/dbraw/zinc/09/11/73/946091173.db2.gz LXUVJCKQAAEBGL-CWTRNNRKSA-N 0 3 385.472 0.766 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571292256 946093362 /nfs/dbraw/zinc/09/33/62/946093362.db2.gz WTCMIHYNMMWCLC-GXTWGEPZSA-N 0 3 389.391 0.195 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571292256 946093372 /nfs/dbraw/zinc/09/33/72/946093372.db2.gz WTCMIHYNMMWCLC-GXTWGEPZSA-N 0 3 389.391 0.195 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573475373 946100218 /nfs/dbraw/zinc/10/02/18/946100218.db2.gz SPOIQICEZFYRDQ-AFAVFJNCSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573475373 946100226 /nfs/dbraw/zinc/10/02/26/946100226.db2.gz SPOIQICEZFYRDQ-AFAVFJNCSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573475373 946100235 /nfs/dbraw/zinc/10/02/35/946100235.db2.gz SPOIQICEZFYRDQ-AFAVFJNCSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573475373 946100240 /nfs/dbraw/zinc/10/02/40/946100240.db2.gz SPOIQICEZFYRDQ-AFAVFJNCSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573476548 946120750 /nfs/dbraw/zinc/12/07/50/946120750.db2.gz HWOXEDMDSSBFFW-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573476888 946125424 /nfs/dbraw/zinc/12/54/24/946125424.db2.gz KQIYHTSWJWFKHI-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573476888 946125428 /nfs/dbraw/zinc/12/54/28/946125428.db2.gz KQIYHTSWJWFKHI-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573477049 946127484 /nfs/dbraw/zinc/12/74/84/946127484.db2.gz LSYCHWXXCKVOTI-GHMZBOCLSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573477049 946127495 /nfs/dbraw/zinc/12/74/95/946127495.db2.gz LSYCHWXXCKVOTI-GHMZBOCLSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573477092 946129463 /nfs/dbraw/zinc/12/94/63/946129463.db2.gz MQHIBKIHNAUFBM-MGPLVRAMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477287 946132154 /nfs/dbraw/zinc/13/21/54/946132154.db2.gz NYKBWHJVMCNHCJ-QWRGUYRKSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573477287 946132162 /nfs/dbraw/zinc/13/21/62/946132162.db2.gz NYKBWHJVMCNHCJ-QWRGUYRKSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573477347 946134378 /nfs/dbraw/zinc/13/43/78/946134378.db2.gz PBQRWCKNGBJXNT-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573477347 946134382 /nfs/dbraw/zinc/13/43/82/946134382.db2.gz PBQRWCKNGBJXNT-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573477347 946134384 /nfs/dbraw/zinc/13/43/84/946134384.db2.gz PBQRWCKNGBJXNT-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573477347 946134388 /nfs/dbraw/zinc/13/43/88/946134388.db2.gz PBQRWCKNGBJXNT-CXAGYDPISA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571295048 946152451 /nfs/dbraw/zinc/15/24/51/946152451.db2.gz NZIIZXUIIDVKQK-MDZLAQPJSA-N 0 3 389.485 0.486 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571295048 946152458 /nfs/dbraw/zinc/15/24/58/946152458.db2.gz NZIIZXUIIDVKQK-MDZLAQPJSA-N 0 3 389.485 0.486 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573479280 946157309 /nfs/dbraw/zinc/15/73/09/946157309.db2.gz BTAQTYASEITMLC-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573479280 946157314 /nfs/dbraw/zinc/15/73/14/946157314.db2.gz BTAQTYASEITMLC-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001573479280 946157317 /nfs/dbraw/zinc/15/73/17/946157317.db2.gz BTAQTYASEITMLC-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001573479280 946157323 /nfs/dbraw/zinc/15/73/23/946157323.db2.gz BTAQTYASEITMLC-GNCDUGFZSA-N 0 3 383.456 0.185 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC001573479965 946170296 /nfs/dbraw/zinc/17/02/96/946170296.db2.gz IRJCHOQLYHMQFJ-NSHDSACASA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC001573479965 946170305 /nfs/dbraw/zinc/17/03/05/946170305.db2.gz IRJCHOQLYHMQFJ-NSHDSACASA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573481047 946180935 /nfs/dbraw/zinc/18/09/35/946180935.db2.gz NQLWDWMANYXWBG-MGPLVRAMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573481047 946180936 /nfs/dbraw/zinc/18/09/36/946180936.db2.gz NQLWDWMANYXWBG-MGPLVRAMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001573481643 946185475 /nfs/dbraw/zinc/18/54/75/946185475.db2.gz QMYZZWFSRACWDP-DYVFJYSZSA-N 0 3 385.472 0.862 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001571296189 946186782 /nfs/dbraw/zinc/18/67/82/946186782.db2.gz QBTIJWXWRRCFCZ-BBRMVZONSA-N 0 3 390.419 0.454 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001571296189 946186792 /nfs/dbraw/zinc/18/67/92/946186792.db2.gz QBTIJWXWRRCFCZ-BBRMVZONSA-N 0 3 390.419 0.454 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001573482574 946198647 /nfs/dbraw/zinc/19/86/47/946198647.db2.gz YGLKAIPBWFEGRY-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001573482574 946198657 /nfs/dbraw/zinc/19/86/57/946198657.db2.gz YGLKAIPBWFEGRY-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573485711 946233679 /nfs/dbraw/zinc/23/36/79/946233679.db2.gz XNXXKTIBSMVRGA-BPNCWPANSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573485711 946233686 /nfs/dbraw/zinc/23/36/86/946233686.db2.gz XNXXKTIBSMVRGA-BPNCWPANSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573487290 946248937 /nfs/dbraw/zinc/24/89/37/946248937.db2.gz LYMXONXGYZHRNO-ZLIFDBKOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573487290 946248944 /nfs/dbraw/zinc/24/89/44/946248944.db2.gz LYMXONXGYZHRNO-ZLIFDBKOSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573487273 946249284 /nfs/dbraw/zinc/24/92/84/946249284.db2.gz LQRSBHSVJWJZDL-BPNCWPANSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573487273 946249296 /nfs/dbraw/zinc/24/92/96/946249296.db2.gz LQRSBHSVJWJZDL-BPNCWPANSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573487570 946254868 /nfs/dbraw/zinc/25/48/68/946254868.db2.gz PJJWGEUIDNPQAW-XDTLVQLUSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573487570 946254876 /nfs/dbraw/zinc/25/48/76/946254876.db2.gz PJJWGEUIDNPQAW-XDTLVQLUSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573496909 946332249 /nfs/dbraw/zinc/33/22/49/946332249.db2.gz GYRZKRZEJDWGSI-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001573496909 946332260 /nfs/dbraw/zinc/33/22/60/946332260.db2.gz GYRZKRZEJDWGSI-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN Nc1nccnc1C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571303729 946344665 /nfs/dbraw/zinc/34/46/65/946344665.db2.gz WGUAHOVEFCGXHJ-UHFFFAOYSA-N 0 3 391.439 0.587 20 0 GCADHN Nc1nccnc1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571303729 946344676 /nfs/dbraw/zinc/34/46/76/946344676.db2.gz WGUAHOVEFCGXHJ-UHFFFAOYSA-N 0 3 391.439 0.587 20 0 GCADHN NC(=O)c1cccc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001571303907 946353180 /nfs/dbraw/zinc/35/31/80/946353180.db2.gz SRGPKYSOMHEZEP-KRWDZBQOSA-N 0 3 391.435 0.970 20 0 GCADHN NC(=O)c1cccc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001571303907 946353190 /nfs/dbraw/zinc/35/31/90/946353190.db2.gz SRGPKYSOMHEZEP-KRWDZBQOSA-N 0 3 391.435 0.970 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573500345 946373012 /nfs/dbraw/zinc/37/30/12/946373012.db2.gz IDNBGEBAHXSWFP-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573500345 946373024 /nfs/dbraw/zinc/37/30/24/946373024.db2.gz IDNBGEBAHXSWFP-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573502073 946385245 /nfs/dbraw/zinc/38/52/45/946385245.db2.gz UYDXUVXPKMKSJK-MEBBXXQBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573502073 946385259 /nfs/dbraw/zinc/38/52/59/946385259.db2.gz UYDXUVXPKMKSJK-MEBBXXQBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573502425 946385607 /nfs/dbraw/zinc/38/56/07/946385607.db2.gz VMPFCEIMGFONJE-FZMZJTMJSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573502425 946385619 /nfs/dbraw/zinc/38/56/19/946385619.db2.gz VMPFCEIMGFONJE-FZMZJTMJSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573503706 946395024 /nfs/dbraw/zinc/39/50/24/946395024.db2.gz CBWMOESLYNWIAY-GOSISDBHSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573503706 946395036 /nfs/dbraw/zinc/39/50/36/946395036.db2.gz CBWMOESLYNWIAY-GOSISDBHSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001573503688 946397376 /nfs/dbraw/zinc/39/73/76/946397376.db2.gz BWFZQXXWKCAPHW-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001573503688 946397390 /nfs/dbraw/zinc/39/73/90/946397390.db2.gz BWFZQXXWKCAPHW-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573504098 946406623 /nfs/dbraw/zinc/40/66/23/946406623.db2.gz FXAUZYJPCRURLF-GOSISDBHSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573504098 946406634 /nfs/dbraw/zinc/40/66/34/946406634.db2.gz FXAUZYJPCRURLF-GOSISDBHSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@@H]1C ZINC001573504198 946408539 /nfs/dbraw/zinc/40/85/39/946408539.db2.gz HGHRJGXFRDYZNM-ZUZCIYMTSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@@H]1C ZINC001573504198 946408543 /nfs/dbraw/zinc/40/85/43/946408543.db2.gz HGHRJGXFRDYZNM-ZUZCIYMTSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573504262 946408728 /nfs/dbraw/zinc/40/87/28/946408728.db2.gz GHRVXJZPQIYGPV-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573504262 946408732 /nfs/dbraw/zinc/40/87/32/946408732.db2.gz GHRVXJZPQIYGPV-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C)([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573504688 946412586 /nfs/dbraw/zinc/41/25/86/946412586.db2.gz IMIAGMUJPAXUEW-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C)([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573504688 946412592 /nfs/dbraw/zinc/41/25/92/946412592.db2.gz IMIAGMUJPAXUEW-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573504697 946413459 /nfs/dbraw/zinc/41/34/59/946413459.db2.gz ISWCPAMQJYWEKM-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573504697 946413465 /nfs/dbraw/zinc/41/34/65/946413465.db2.gz ISWCPAMQJYWEKM-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573505131 946417112 /nfs/dbraw/zinc/41/71/12/946417112.db2.gz KABNRVMJBZZTLB-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573505131 946417120 /nfs/dbraw/zinc/41/71/20/946417120.db2.gz KABNRVMJBZZTLB-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C[C@@H]1C ZINC001573505261 946418684 /nfs/dbraw/zinc/41/86/84/946418684.db2.gz LPZBXYIUYKDMKH-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1C ZINC001573505261 946418693 /nfs/dbraw/zinc/41/86/93/946418693.db2.gz LPZBXYIUYKDMKH-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1C ZINC001573505275 946419082 /nfs/dbraw/zinc/41/90/82/946419082.db2.gz LUKSDMGDNSAJSQ-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1C ZINC001573505275 946419087 /nfs/dbraw/zinc/41/90/87/946419087.db2.gz LUKSDMGDNSAJSQ-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1C ZINC001573505272 946419233 /nfs/dbraw/zinc/41/92/33/946419233.db2.gz LUKSDMGDNSAJSQ-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1C ZINC001573505272 946419241 /nfs/dbraw/zinc/41/92/41/946419241.db2.gz LUKSDMGDNSAJSQ-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505660 946423411 /nfs/dbraw/zinc/42/34/11/946423411.db2.gz MQEPIYCHNXYYER-SJORKVTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505660 946423419 /nfs/dbraw/zinc/42/34/19/946423419.db2.gz MQEPIYCHNXYYER-SJORKVTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505660 946423427 /nfs/dbraw/zinc/42/34/27/946423427.db2.gz MQEPIYCHNXYYER-SJORKVTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505660 946423434 /nfs/dbraw/zinc/42/34/34/946423434.db2.gz MQEPIYCHNXYYER-SJORKVTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505938 946425663 /nfs/dbraw/zinc/42/56/63/946425663.db2.gz PNLKKPRHNQTILV-SUMWQHHRSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505938 946425666 /nfs/dbraw/zinc/42/56/66/946425666.db2.gz PNLKKPRHNQTILV-SUMWQHHRSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573506292 946430577 /nfs/dbraw/zinc/43/05/77/946430577.db2.gz QIVUXSCDFGVJLI-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573506292 946430583 /nfs/dbraw/zinc/43/05/83/946430583.db2.gz QIVUXSCDFGVJLI-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@H]1C ZINC001573506835 946439351 /nfs/dbraw/zinc/43/93/51/946439351.db2.gz UOIFZBOJRLMSPL-MEBBXXQBSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573507418 946445085 /nfs/dbraw/zinc/44/50/85/946445085.db2.gz XVCFIGIJMRYNEB-SFHVURJKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573507418 946445089 /nfs/dbraw/zinc/44/50/89/946445089.db2.gz XVCFIGIJMRYNEB-SFHVURJKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573507487 946447470 /nfs/dbraw/zinc/44/74/70/946447470.db2.gz YLQGMRZYUZAANU-BBRMVZONSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573507487 946447481 /nfs/dbraw/zinc/44/74/81/946447481.db2.gz YLQGMRZYUZAANU-BBRMVZONSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573507570 946448104 /nfs/dbraw/zinc/44/81/04/946448104.db2.gz ZHWBTZFHVZNBTG-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573507570 946448114 /nfs/dbraw/zinc/44/81/14/946448114.db2.gz ZHWBTZFHVZNBTG-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573507570 946448122 /nfs/dbraw/zinc/44/81/22/946448122.db2.gz ZHWBTZFHVZNBTG-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573507570 946448130 /nfs/dbraw/zinc/44/81/30/946448130.db2.gz ZHWBTZFHVZNBTG-UHFFFAOYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573507737 946449721 /nfs/dbraw/zinc/44/97/21/946449721.db2.gz XMVYGJUPZBBYOG-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573507737 946449727 /nfs/dbraw/zinc/44/97/27/946449727.db2.gz XMVYGJUPZBBYOG-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573508843 946455716 /nfs/dbraw/zinc/45/57/16/946455716.db2.gz AEEYZEMVWODILA-HNNXBMFYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573508843 946455721 /nfs/dbraw/zinc/45/57/21/946455721.db2.gz AEEYZEMVWODILA-HNNXBMFYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573509339 946461912 /nfs/dbraw/zinc/46/19/12/946461912.db2.gz KOPGQKRAJFISSW-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573509339 946461918 /nfs/dbraw/zinc/46/19/18/946461918.db2.gz KOPGQKRAJFISSW-KRWDZBQOSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573509814 946467345 /nfs/dbraw/zinc/46/73/45/946467345.db2.gz SVDFGRQLYJUVBG-CQSZACIVSA-N 0 3 389.435 0.613 20 0 GCADHN CC(C)(O)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571310850 946479676 /nfs/dbraw/zinc/47/96/76/946479676.db2.gz NZRAFDNQEQTBLB-CYBMUJFWSA-N 0 3 392.435 0.484 20 0 GCADHN CC(C)(O)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571310850 946479683 /nfs/dbraw/zinc/47/96/83/946479683.db2.gz NZRAFDNQEQTBLB-CYBMUJFWSA-N 0 3 392.435 0.484 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573510500 946480094 /nfs/dbraw/zinc/48/00/94/946480094.db2.gz IUEKYVWXZJNEGD-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573510500 946480099 /nfs/dbraw/zinc/48/00/99/946480099.db2.gz IUEKYVWXZJNEGD-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573510500 946480106 /nfs/dbraw/zinc/48/01/06/946480106.db2.gz IUEKYVWXZJNEGD-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573510500 946480110 /nfs/dbraw/zinc/48/01/10/946480110.db2.gz IUEKYVWXZJNEGD-DYVFJYSZSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C12CCC2 ZINC001573513043 946508241 /nfs/dbraw/zinc/50/82/41/946508241.db2.gz KGNCCZMZRMOAAV-HOTGVXAUSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C12CCC2 ZINC001573513043 946508248 /nfs/dbraw/zinc/50/82/48/946508248.db2.gz KGNCCZMZRMOAAV-HOTGVXAUSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573513876 946516404 /nfs/dbraw/zinc/51/64/04/946516404.db2.gz QMGJGRWSUHOEQH-KBPBESRZSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573513876 946516411 /nfs/dbraw/zinc/51/64/11/946516411.db2.gz QMGJGRWSUHOEQH-KBPBESRZSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573513879 946516603 /nfs/dbraw/zinc/51/66/03/946516603.db2.gz QMGJGRWSUHOEQH-ZIAGYGMSSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573513879 946516615 /nfs/dbraw/zinc/51/66/15/946516615.db2.gz QMGJGRWSUHOEQH-ZIAGYGMSSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573514297 946525377 /nfs/dbraw/zinc/52/53/77/946525377.db2.gz WUCLPBLPZVJUMT-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573514297 946525394 /nfs/dbraw/zinc/52/53/94/946525394.db2.gz WUCLPBLPZVJUMT-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573514297 946525406 /nfs/dbraw/zinc/52/54/06/946525406.db2.gz WUCLPBLPZVJUMT-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573514297 946525422 /nfs/dbraw/zinc/52/54/22/946525422.db2.gz WUCLPBLPZVJUMT-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C12CCC2 ZINC001573514278 946526225 /nfs/dbraw/zinc/52/62/25/946526225.db2.gz WMSLIHTUPYTBCB-CVEARBPZSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C12CCC2 ZINC001573514278 946526228 /nfs/dbraw/zinc/52/62/28/946526228.db2.gz WMSLIHTUPYTBCB-CVEARBPZSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573514289 946526353 /nfs/dbraw/zinc/52/63/53/946526353.db2.gz WSHNPNJBXGGJSW-MLGOLLRUSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573514289 946526355 /nfs/dbraw/zinc/52/63/55/946526355.db2.gz WSHNPNJBXGGJSW-MLGOLLRUSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573514290 946526421 /nfs/dbraw/zinc/52/64/21/946526421.db2.gz WSHNPNJBXGGJSW-WBMJQRKESA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573514290 946526422 /nfs/dbraw/zinc/52/64/22/946526422.db2.gz WSHNPNJBXGGJSW-WBMJQRKESA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573514556 946531001 /nfs/dbraw/zinc/53/10/01/946531001.db2.gz ZWVZHGGVORKVNE-GXTWGEPZSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573514556 946531013 /nfs/dbraw/zinc/53/10/13/946531013.db2.gz ZWVZHGGVORKVNE-GXTWGEPZSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573515396 946542290 /nfs/dbraw/zinc/54/22/90/946542290.db2.gz LXYVJCNLNUFNAW-HNNXBMFYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573515396 946542299 /nfs/dbraw/zinc/54/22/99/946542299.db2.gz LXYVJCNLNUFNAW-HNNXBMFYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573516464 946561409 /nfs/dbraw/zinc/56/14/09/946561409.db2.gz ZXYNYKOHCBKRLU-HNNXBMFYSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573516464 946561418 /nfs/dbraw/zinc/56/14/18/946561418.db2.gz ZXYNYKOHCBKRLU-HNNXBMFYSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)NCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573517215 946567946 /nfs/dbraw/zinc/56/79/46/946567946.db2.gz DZZBTGVCXHPNKO-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573517215 946567953 /nfs/dbraw/zinc/56/79/53/946567953.db2.gz DZZBTGVCXHPNKO-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCC1 ZINC001573517350 946569591 /nfs/dbraw/zinc/56/95/91/946569591.db2.gz IFTORBYYCLMPPG-UHFFFAOYSA-N 0 3 389.435 0.661 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC001573517350 946569600 /nfs/dbraw/zinc/56/96/00/946569600.db2.gz IFTORBYYCLMPPG-UHFFFAOYSA-N 0 3 389.435 0.661 20 0 GCADHN CC(=O)NCC(=O)NCC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573517415 946571839 /nfs/dbraw/zinc/57/18/39/946571839.db2.gz JMMISRLFPSIFRH-UHFFFAOYSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573517842 946581543 /nfs/dbraw/zinc/58/15/43/946581543.db2.gz SJGHLONPSWFNHH-CQSZACIVSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573517842 946581556 /nfs/dbraw/zinc/58/15/56/946581556.db2.gz SJGHLONPSWFNHH-CQSZACIVSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573518082 946587547 /nfs/dbraw/zinc/58/75/47/946587547.db2.gz XFHOPGGSSFWZIX-AWEZNQCLSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573518082 946587555 /nfs/dbraw/zinc/58/75/55/946587555.db2.gz XFHOPGGSSFWZIX-AWEZNQCLSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573521141 946603791 /nfs/dbraw/zinc/60/37/91/946603791.db2.gz RTNABUGUOJCAOM-YLJYHZDGSA-N 0 3 397.483 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573521141 946603801 /nfs/dbraw/zinc/60/38/01/946603801.db2.gz RTNABUGUOJCAOM-YLJYHZDGSA-N 0 3 397.483 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573521141 946603810 /nfs/dbraw/zinc/60/38/10/946603810.db2.gz RTNABUGUOJCAOM-YLJYHZDGSA-N 0 3 397.483 0.864 20 0 GCADHN CC(=O)NCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573521141 946603817 /nfs/dbraw/zinc/60/38/17/946603817.db2.gz RTNABUGUOJCAOM-YLJYHZDGSA-N 0 3 397.483 0.864 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573521427 946605995 /nfs/dbraw/zinc/60/59/95/946605995.db2.gz VQWUMSYEZFVLPR-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573521427 946606001 /nfs/dbraw/zinc/60/60/01/946606001.db2.gz VQWUMSYEZFVLPR-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573521427 946606005 /nfs/dbraw/zinc/60/60/05/946606005.db2.gz VQWUMSYEZFVLPR-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573521427 946606010 /nfs/dbraw/zinc/60/60/10/946606010.db2.gz VQWUMSYEZFVLPR-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573521728 946610674 /nfs/dbraw/zinc/61/06/74/946610674.db2.gz CUZSYCCZMUAPSH-CZIWCDLHSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573521728 946610682 /nfs/dbraw/zinc/61/06/82/946610682.db2.gz CUZSYCCZMUAPSH-CZIWCDLHSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573521871 946615867 /nfs/dbraw/zinc/61/58/67/946615867.db2.gz MEQQOEPUYHAKMR-HDJSIYSDSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573521871 946615875 /nfs/dbraw/zinc/61/58/75/946615875.db2.gz MEQQOEPUYHAKMR-HDJSIYSDSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573522845 946629792 /nfs/dbraw/zinc/62/97/92/946629792.db2.gz LEVFKLGUTKGWNU-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573522845 946629801 /nfs/dbraw/zinc/62/98/01/946629801.db2.gz LEVFKLGUTKGWNU-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573522845 946629808 /nfs/dbraw/zinc/62/98/08/946629808.db2.gz LEVFKLGUTKGWNU-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573522845 946629816 /nfs/dbraw/zinc/62/98/16/946629816.db2.gz LEVFKLGUTKGWNU-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cc1-c1nnn[n-]1 ZINC000824324120 946659430 /nfs/dbraw/zinc/65/94/30/946659430.db2.gz HEFHAZCYVVWFEF-UHFFFAOYSA-N 0 3 399.455 0.971 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NCC2=CC[N@@H+](C)CC2)cc1-c1nnn[n-]1 ZINC000824324120 946659441 /nfs/dbraw/zinc/65/94/41/946659441.db2.gz HEFHAZCYVVWFEF-UHFFFAOYSA-N 0 3 399.455 0.971 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cc1-c1nn[n-]n1 ZINC000824324120 946659451 /nfs/dbraw/zinc/65/94/51/946659451.db2.gz HEFHAZCYVVWFEF-UHFFFAOYSA-N 0 3 399.455 0.971 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)NCC2=CC[N@@H+](C)CC2)cc1-c1nn[n-]n1 ZINC000824324120 946659458 /nfs/dbraw/zinc/65/94/58/946659458.db2.gz HEFHAZCYVVWFEF-UHFFFAOYSA-N 0 3 399.455 0.971 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573535417 946723186 /nfs/dbraw/zinc/72/31/86/946723186.db2.gz FSIVFUKBERPIMY-BRWVUGGUSA-N 0 3 385.472 0.764 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573535417 946723196 /nfs/dbraw/zinc/72/31/96/946723196.db2.gz FSIVFUKBERPIMY-BRWVUGGUSA-N 0 3 385.472 0.764 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)C(C)C ZINC001573535730 946725218 /nfs/dbraw/zinc/72/52/18/946725218.db2.gz IFPYHFBPQWOKFM-BRWVUGGUSA-N 0 3 385.472 0.764 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)C(C)C ZINC001573535730 946725227 /nfs/dbraw/zinc/72/52/27/946725227.db2.gz IFPYHFBPQWOKFM-BRWVUGGUSA-N 0 3 385.472 0.764 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573537058 946742489 /nfs/dbraw/zinc/74/24/89/946742489.db2.gz FYPQCOPYHKMRDQ-DLBZAZTESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573537058 946742492 /nfs/dbraw/zinc/74/24/92/946742492.db2.gz FYPQCOPYHKMRDQ-DLBZAZTESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573537059 946743211 /nfs/dbraw/zinc/74/32/11/946743211.db2.gz FYPQCOPYHKMRDQ-IAGOWNOFSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573537059 946743221 /nfs/dbraw/zinc/74/32/21/946743221.db2.gz FYPQCOPYHKMRDQ-IAGOWNOFSA-N 0 3 385.472 0.718 20 0 GCADHN C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000824737140 946918983 /nfs/dbraw/zinc/91/89/83/946918983.db2.gz CGNXGDJWIDBVFT-HOCLYGCPSA-N 0 3 388.472 0.987 20 0 GCADHN C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000824737140 946918988 /nfs/dbraw/zinc/91/89/88/946918988.db2.gz CGNXGDJWIDBVFT-HOCLYGCPSA-N 0 3 388.472 0.987 20 0 GCADHN CN(C)CCn1cc(NC(=O)CNc2ccc(-c3nn[nH]n3)cc2)ccc1=O ZINC000825870725 947351764 /nfs/dbraw/zinc/35/17/64/947351764.db2.gz ZZRGNCIPXLOGET-UHFFFAOYSA-N 0 3 382.428 0.641 20 0 GCADHN C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826018252 947403980 /nfs/dbraw/zinc/40/39/80/947403980.db2.gz SUVMKVWVOXYZQY-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826018252 947403990 /nfs/dbraw/zinc/40/39/90/947403990.db2.gz SUVMKVWVOXYZQY-UHFFFAOYSA-N 0 3 375.820 0.837 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccc1 ZINC001573595918 947424562 /nfs/dbraw/zinc/42/45/62/947424562.db2.gz HOLDLVPKGXPRTL-YOEHRIQHSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccc1 ZINC001573595918 947424570 /nfs/dbraw/zinc/42/45/70/947424570.db2.gz HOLDLVPKGXPRTL-YOEHRIQHSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC001573597288 947434612 /nfs/dbraw/zinc/43/46/12/947434612.db2.gz MRZPHQMQAAJTEG-WMLDXEAASA-N 0 3 383.456 0.838 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC001573597288 947434624 /nfs/dbraw/zinc/43/46/24/947434624.db2.gz MRZPHQMQAAJTEG-WMLDXEAASA-N 0 3 383.456 0.838 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573599396 947455856 /nfs/dbraw/zinc/45/58/56/947455856.db2.gz XRSRLKNJAIEGEK-RISCZKNCSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCCC1 ZINC001573603725 947497894 /nfs/dbraw/zinc/49/78/94/947497894.db2.gz OYLGRLKEGDWEES-CQSZACIVSA-N 0 3 387.492 0.816 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573618424 947650442 /nfs/dbraw/zinc/65/04/42/947650442.db2.gz QWSVHGPZBMLHJM-BXUZGUMPSA-N 0 3 385.407 0.549 20 0 GCADHN C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573618424 947650446 /nfs/dbraw/zinc/65/04/46/947650446.db2.gz QWSVHGPZBMLHJM-BXUZGUMPSA-N 0 3 385.407 0.549 20 0 GCADHN CS(=O)(=O)CCC[NH2+]C1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826222965 947660246 /nfs/dbraw/zinc/66/02/46/947660246.db2.gz WBHXTSTUJNFDRM-UHFFFAOYSA-N 0 3 378.502 0.855 20 0 GCADHN CS(=O)(=O)CCC[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826222965 947660252 /nfs/dbraw/zinc/66/02/52/947660252.db2.gz WBHXTSTUJNFDRM-UHFFFAOYSA-N 0 3 378.502 0.855 20 0 GCADHN C[C@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)n1cncn1 ZINC001573622499 947680835 /nfs/dbraw/zinc/68/08/35/947680835.db2.gz AKLWIETUDQEBMS-CYBMUJFWSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)n1cncn1 ZINC001573622499 947680839 /nfs/dbraw/zinc/68/08/39/947680839.db2.gz AKLWIETUDQEBMS-CYBMUJFWSA-N 0 3 381.444 0.800 20 0 GCADHN Cc1c(Cl)cnc(N2CCO[C@H](CN3CCN(C)CC3)C2)c1-c1nn[nH]n1 ZINC000826238940 947705409 /nfs/dbraw/zinc/70/54/09/947705409.db2.gz TZGRYBDFRHCUCE-CYBMUJFWSA-N 0 3 392.895 0.676 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573630289 947790539 /nfs/dbraw/zinc/79/05/39/947790539.db2.gz XQUCKNVTHFCHNO-CJNGLKHVSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573630289 947790548 /nfs/dbraw/zinc/79/05/48/947790548.db2.gz XQUCKNVTHFCHNO-CJNGLKHVSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573632049 947807470 /nfs/dbraw/zinc/80/74/70/947807470.db2.gz YHQLUKPTLAMDDJ-UKRRQHHQSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573632049 947807481 /nfs/dbraw/zinc/80/74/81/947807481.db2.gz YHQLUKPTLAMDDJ-UKRRQHHQSA-N 0 3 381.444 0.800 20 0 GCADHN CC(=O)CCCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573377080 947846323 /nfs/dbraw/zinc/84/63/23/947846323.db2.gz HHIWMUVWKPMLDB-INIZCTEOSA-N 0 3 386.456 0.943 20 0 GCADHN CC(=O)CCCC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573377080 947846334 /nfs/dbraw/zinc/84/63/34/947846334.db2.gz HHIWMUVWKPMLDB-INIZCTEOSA-N 0 3 386.456 0.943 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573645852 947871908 /nfs/dbraw/zinc/87/19/08/947871908.db2.gz BWTYCQJANQMXRL-AAEUAGOBSA-N 0 3 385.407 0.549 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573645852 947871915 /nfs/dbraw/zinc/87/19/15/947871915.db2.gz BWTYCQJANQMXRL-AAEUAGOBSA-N 0 3 385.407 0.549 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573387644 947913784 /nfs/dbraw/zinc/91/37/84/947913784.db2.gz CWYAORGZDOCHKX-UHFFFAOYSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573387644 947913790 /nfs/dbraw/zinc/91/37/90/947913790.db2.gz CWYAORGZDOCHKX-UHFFFAOYSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1C ZINC001573388088 947915176 /nfs/dbraw/zinc/91/51/76/947915176.db2.gz HUOPYFAWQWCLAI-FZMZJTMJSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573387962 947915357 /nfs/dbraw/zinc/91/53/57/947915357.db2.gz GUEXCMJOMWBNBI-SUMWQHHRSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573387962 947915362 /nfs/dbraw/zinc/91/53/62/947915362.db2.gz GUEXCMJOMWBNBI-SUMWQHHRSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573389099 947922400 /nfs/dbraw/zinc/92/24/00/947922400.db2.gz PXCIJLVGBMLOMM-UHFFFAOYSA-N 0 3 391.451 0.764 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573389099 947922402 /nfs/dbraw/zinc/92/24/02/947922402.db2.gz PXCIJLVGBMLOMM-UHFFFAOYSA-N 0 3 391.451 0.764 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573389099 947922403 /nfs/dbraw/zinc/92/24/03/947922403.db2.gz PXCIJLVGBMLOMM-UHFFFAOYSA-N 0 3 391.451 0.764 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573389099 947922404 /nfs/dbraw/zinc/92/24/04/947922404.db2.gz PXCIJLVGBMLOMM-UHFFFAOYSA-N 0 3 391.451 0.764 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573389119 947924668 /nfs/dbraw/zinc/92/46/68/947924668.db2.gz QNIHSAMGCZGJSP-LLVKDONJSA-N 0 3 377.424 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573392001 947939974 /nfs/dbraw/zinc/93/99/74/947939974.db2.gz ORVARDJNRQJDOT-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573392001 947939978 /nfs/dbraw/zinc/93/99/78/947939978.db2.gz ORVARDJNRQJDOT-QGZVFWFLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573652798 947946439 /nfs/dbraw/zinc/94/64/39/947946439.db2.gz HJARWRUXBVEDJF-WBMJQRKESA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573652798 947946443 /nfs/dbraw/zinc/94/64/43/947946443.db2.gz HJARWRUXBVEDJF-WBMJQRKESA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573393979 947963184 /nfs/dbraw/zinc/96/31/84/947963184.db2.gz RLGOZFVLYJLMSW-GUYCJALGSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573393979 947963191 /nfs/dbraw/zinc/96/31/91/947963191.db2.gz RLGOZFVLYJLMSW-GUYCJALGSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573395693 947972308 /nfs/dbraw/zinc/97/23/08/947972308.db2.gz ZUBTVFQBWHPDEW-CXAGYDPISA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573395693 947972315 /nfs/dbraw/zinc/97/23/15/947972315.db2.gz ZUBTVFQBWHPDEW-CXAGYDPISA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573398123 947978728 /nfs/dbraw/zinc/97/87/28/947978728.db2.gz GTODVIBEWGSPHE-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573398123 947978733 /nfs/dbraw/zinc/97/87/33/947978733.db2.gz GTODVIBEWGSPHE-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573398495 947982305 /nfs/dbraw/zinc/98/23/05/947982305.db2.gz LVBNPHZDBPNWMV-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573398530 947982662 /nfs/dbraw/zinc/98/26/62/947982662.db2.gz MDXCSIQUVHIVQD-VXGBXAGGSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573398530 947982668 /nfs/dbraw/zinc/98/26/68/947982668.db2.gz MDXCSIQUVHIVQD-VXGBXAGGSA-N 0 3 391.451 0.857 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@](C)(C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573398857 947986984 /nfs/dbraw/zinc/98/69/84/947986984.db2.gz PVWUEIIXSDXFDK-IBGZPJMESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@](C)(C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573398857 947986990 /nfs/dbraw/zinc/98/69/90/947986990.db2.gz PVWUEIIXSDXFDK-IBGZPJMESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001573399576 947992777 /nfs/dbraw/zinc/99/27/77/947992777.db2.gz XBCVAZSFGYICQG-CALCHBBNSA-N 0 3 383.456 0.235 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001573399576 947992782 /nfs/dbraw/zinc/99/27/82/947992782.db2.gz XBCVAZSFGYICQG-CALCHBBNSA-N 0 3 383.456 0.235 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C1 ZINC001573399576 947992788 /nfs/dbraw/zinc/99/27/88/947992788.db2.gz XBCVAZSFGYICQG-CALCHBBNSA-N 0 3 383.456 0.235 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C1 ZINC001573399576 947992794 /nfs/dbraw/zinc/99/27/94/947992794.db2.gz XBCVAZSFGYICQG-CALCHBBNSA-N 0 3 383.456 0.235 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573401770 947997351 /nfs/dbraw/zinc/99/73/51/947997351.db2.gz COUSCOSEBQLBGM-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573401770 947997358 /nfs/dbraw/zinc/99/73/58/947997358.db2.gz COUSCOSEBQLBGM-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573401808 947998081 /nfs/dbraw/zinc/99/80/81/947998081.db2.gz CXQLCNCEVMPANU-LLVKDONJSA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573401808 947998086 /nfs/dbraw/zinc/99/80/86/947998086.db2.gz CXQLCNCEVMPANU-LLVKDONJSA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573401769 947998152 /nfs/dbraw/zinc/99/81/52/947998152.db2.gz COUSCOSEBQLBGM-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001573401769 947998160 /nfs/dbraw/zinc/99/81/60/947998160.db2.gz COUSCOSEBQLBGM-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573403794 948012782 /nfs/dbraw/zinc/01/27/82/948012782.db2.gz ONQGIWXHXXHXEW-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573404079 948016179 /nfs/dbraw/zinc/01/61/79/948016179.db2.gz POSOAKWWLMGLDE-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573404079 948016187 /nfs/dbraw/zinc/01/61/87/948016187.db2.gz POSOAKWWLMGLDE-MRXNPFEDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573404309 948020333 /nfs/dbraw/zinc/02/03/33/948020333.db2.gz RPFGBAJWHQBLFU-IRXDYDNUSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573404309 948020339 /nfs/dbraw/zinc/02/03/39/948020339.db2.gz RPFGBAJWHQBLFU-IRXDYDNUSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573404308 948020475 /nfs/dbraw/zinc/02/04/75/948020475.db2.gz RPFGBAJWHQBLFU-IAGOWNOFSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573404308 948020481 /nfs/dbraw/zinc/02/04/81/948020481.db2.gz RPFGBAJWHQBLFU-IAGOWNOFSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573404330 948022200 /nfs/dbraw/zinc/02/22/00/948022200.db2.gz RXTKFTGIHFHXND-ZBFHGGJFSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573404330 948022206 /nfs/dbraw/zinc/02/22/06/948022206.db2.gz RXTKFTGIHFHXND-ZBFHGGJFSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573404658 948030897 /nfs/dbraw/zinc/03/08/97/948030897.db2.gz ISKLKRKOBZSZFQ-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N(C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573404658 948030903 /nfs/dbraw/zinc/03/09/03/948030903.db2.gz ISKLKRKOBZSZFQ-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573404755 948031763 /nfs/dbraw/zinc/03/17/63/948031763.db2.gz WCALJYXBAMVBSP-DLBZAZTESA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573404755 948031768 /nfs/dbraw/zinc/03/17/68/948031768.db2.gz WCALJYXBAMVBSP-DLBZAZTESA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573404981 948038454 /nfs/dbraw/zinc/03/84/54/948038454.db2.gz MQTWMSQTSPEQFD-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573404981 948038460 /nfs/dbraw/zinc/03/84/60/948038460.db2.gz MQTWMSQTSPEQFD-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573404981 948038470 /nfs/dbraw/zinc/03/84/70/948038470.db2.gz MQTWMSQTSPEQFD-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573404981 948038476 /nfs/dbraw/zinc/03/84/76/948038476.db2.gz MQTWMSQTSPEQFD-MRXNPFEDSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573405744 948047725 /nfs/dbraw/zinc/04/77/25/948047725.db2.gz VPJALLRFGUSAGP-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573405744 948047732 /nfs/dbraw/zinc/04/77/32/948047732.db2.gz VPJALLRFGUSAGP-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573405744 948047739 /nfs/dbraw/zinc/04/77/39/948047739.db2.gz VPJALLRFGUSAGP-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573405744 948047747 /nfs/dbraw/zinc/04/77/47/948047747.db2.gz VPJALLRFGUSAGP-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573405896 948048402 /nfs/dbraw/zinc/04/84/02/948048402.db2.gz YDIVUUDKXXQXBZ-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573405896 948048406 /nfs/dbraw/zinc/04/84/06/948048406.db2.gz YDIVUUDKXXQXBZ-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573406356 948050326 /nfs/dbraw/zinc/05/03/26/948050326.db2.gz BAAZRIPFVVAGIE-BETUJISGSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573406356 948050335 /nfs/dbraw/zinc/05/03/35/948050335.db2.gz BAAZRIPFVVAGIE-BETUJISGSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573406378 948051612 /nfs/dbraw/zinc/05/16/12/948051612.db2.gz CQYDWMFAOCCCOK-NSHDSACASA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573406966 948059860 /nfs/dbraw/zinc/05/98/60/948059860.db2.gz YKCPVEBCWXSIDK-IAGOWNOFSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573406966 948059868 /nfs/dbraw/zinc/05/98/68/948059868.db2.gz YKCPVEBCWXSIDK-IAGOWNOFSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573408066 948063816 /nfs/dbraw/zinc/06/38/16/948063816.db2.gz AUMGQHGIQNBETH-HDJSIYSDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573408066 948063822 /nfs/dbraw/zinc/06/38/22/948063822.db2.gz AUMGQHGIQNBETH-HDJSIYSDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573414005 948089026 /nfs/dbraw/zinc/08/90/26/948089026.db2.gz IMPIKAXGGOWBKZ-CQSZACIVSA-N 0 3 387.419 0.175 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001573414005 948089034 /nfs/dbraw/zinc/08/90/34/948089034.db2.gz IMPIKAXGGOWBKZ-CQSZACIVSA-N 0 3 387.419 0.175 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573418190 948116025 /nfs/dbraw/zinc/11/60/25/948116025.db2.gz FCBJKOCUYZAIHO-OLZOCXBDSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573418190 948116028 /nfs/dbraw/zinc/11/60/28/948116028.db2.gz FCBJKOCUYZAIHO-OLZOCXBDSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573418191 948116243 /nfs/dbraw/zinc/11/62/43/948116243.db2.gz FCBJKOCUYZAIHO-QWHCGFSZSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573418191 948116248 /nfs/dbraw/zinc/11/62/48/948116248.db2.gz FCBJKOCUYZAIHO-QWHCGFSZSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573418514 948117132 /nfs/dbraw/zinc/11/71/32/948117132.db2.gz GIJSRXKOQITDHS-CHWSQXEVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573418514 948117137 /nfs/dbraw/zinc/11/71/37/948117137.db2.gz GIJSRXKOQITDHS-CHWSQXEVSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573418513 948117369 /nfs/dbraw/zinc/11/73/69/948117369.db2.gz GHLCBUQVNSURPM-SNVBAGLBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573418636 948119901 /nfs/dbraw/zinc/11/99/01/948119901.db2.gz HRLOYQPHFKOAKB-LLVKDONJSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573418636 948119905 /nfs/dbraw/zinc/11/99/05/948119905.db2.gz HRLOYQPHFKOAKB-LLVKDONJSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573419970 948132545 /nfs/dbraw/zinc/13/25/45/948132545.db2.gz WZNISUBVOAOIIM-JTQLQIEISA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573419970 948132548 /nfs/dbraw/zinc/13/25/48/948132548.db2.gz WZNISUBVOAOIIM-JTQLQIEISA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)N1CC(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CCC2)C1 ZINC001573421431 948137989 /nfs/dbraw/zinc/13/79/89/948137989.db2.gz FIEOGJGWGILHJL-UHFFFAOYSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573421444 948138173 /nfs/dbraw/zinc/13/81/73/948138173.db2.gz FVZJTYSTZYGEMV-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)NCC[C@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573421444 948138179 /nfs/dbraw/zinc/13/81/79/948138179.db2.gz FVZJTYSTZYGEMV-NSHDSACASA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573423754 948145302 /nfs/dbraw/zinc/14/53/02/948145302.db2.gz PDIYLHLWSIXGCH-HNNXBMFYSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573423754 948145308 /nfs/dbraw/zinc/14/53/08/948145308.db2.gz PDIYLHLWSIXGCH-HNNXBMFYSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573423754 948145312 /nfs/dbraw/zinc/14/53/12/948145312.db2.gz PDIYLHLWSIXGCH-HNNXBMFYSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573423754 948145319 /nfs/dbraw/zinc/14/53/19/948145319.db2.gz PDIYLHLWSIXGCH-HNNXBMFYSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573426921 948160283 /nfs/dbraw/zinc/16/02/83/948160283.db2.gz QZJRDYHXPUKHJH-SJKOYZFVSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573426921 948160288 /nfs/dbraw/zinc/16/02/88/948160288.db2.gz QZJRDYHXPUKHJH-SJKOYZFVSA-N 0 3 383.456 0.282 20 0 GCADHN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573679967 948168904 /nfs/dbraw/zinc/16/89/04/948168904.db2.gz KPINAWPBVMNYNX-TZMCWYRMSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573680047 948171695 /nfs/dbraw/zinc/17/16/95/948171695.db2.gz LOXNOEOEHOQASC-MLGOLLRUSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573680047 948171701 /nfs/dbraw/zinc/17/17/01/948171701.db2.gz LOXNOEOEHOQASC-MLGOLLRUSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)n1cncn1 ZINC001573680829 948189970 /nfs/dbraw/zinc/18/99/70/948189970.db2.gz QKTZOFKMTBVBFJ-WBMJQRKESA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)n1cncn1 ZINC001573680829 948189976 /nfs/dbraw/zinc/18/99/76/948189976.db2.gz QKTZOFKMTBVBFJ-WBMJQRKESA-N 0 3 381.444 0.704 20 0 GCADHN NC(=O)C1(C[NH2+]C2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCOCC1 ZINC000826388825 948195589 /nfs/dbraw/zinc/19/55/89/948195589.db2.gz KABRNIXZNZVGQQ-UHFFFAOYSA-N 0 3 399.499 0.703 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573433833 948206869 /nfs/dbraw/zinc/20/68/69/948206869.db2.gz NWYODUAYLJWHBB-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573433833 948206879 /nfs/dbraw/zinc/20/68/79/948206879.db2.gz NWYODUAYLJWHBB-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NCC[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573434118 948208718 /nfs/dbraw/zinc/20/87/18/948208718.db2.gz OAIXZYPIPDWXAQ-LJQANCHMSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)NCC[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573434118 948208727 /nfs/dbraw/zinc/20/87/27/948208727.db2.gz OAIXZYPIPDWXAQ-LJQANCHMSA-N 0 3 385.472 0.673 20 0 GCADHN C[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)[NH+]1CCCCCC1 ZINC001573681786 948212169 /nfs/dbraw/zinc/21/21/69/948212169.db2.gz XWIQTTSRNDTFFL-UKRRQHHQSA-N 0 3 388.476 0.415 20 0 GCADHN C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[NH+]1CCCCCC1 ZINC001573692325 948261655 /nfs/dbraw/zinc/26/16/55/948261655.db2.gz OEGQWGHBXZTRSA-ZDUSSCGKSA-N 0 3 385.476 0.982 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(F)(F)F ZINC001573693261 948278692 /nfs/dbraw/zinc/27/86/92/948278692.db2.gz SAOPOFYVDZEGTC-WPRPVWTQSA-N 0 3 390.341 0.771 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573442088 948287261 /nfs/dbraw/zinc/28/72/61/948287261.db2.gz RSVRSHOPJAIZDD-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573442088 948287269 /nfs/dbraw/zinc/28/72/69/948287269.db2.gz RSVRSHOPJAIZDD-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(F)(F)F ZINC001573693916 948291349 /nfs/dbraw/zinc/29/13/49/948291349.db2.gz VFXXYDOIPMPIQR-KWQFWETISA-N 0 3 390.341 0.771 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(F)(F)F ZINC001573693916 948291357 /nfs/dbraw/zinc/29/13/57/948291357.db2.gz VFXXYDOIPMPIQR-KWQFWETISA-N 0 3 390.341 0.771 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573695064 948300879 /nfs/dbraw/zinc/30/08/79/948300879.db2.gz WSCFTUOMYVMEHA-WCBMZHEXSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573695064 948300890 /nfs/dbraw/zinc/30/08/90/948300890.db2.gz WSCFTUOMYVMEHA-WCBMZHEXSA-N 0 3 390.341 0.771 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573446453 948329794 /nfs/dbraw/zinc/32/97/94/948329794.db2.gz GUMDYZLXINHSFG-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573446453 948329802 /nfs/dbraw/zinc/32/98/02/948329802.db2.gz GUMDYZLXINHSFG-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN O=S1(=O)CCC[C@@H]1C[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826497234 948412196 /nfs/dbraw/zinc/41/21/96/948412196.db2.gz ZBOSVAOXTYFBKH-QGZVFWFLSA-N 0 3 390.513 0.998 20 0 GCADHN C[C@@H](C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)C1CCC1 ZINC001573717509 948509674 /nfs/dbraw/zinc/50/96/74/948509674.db2.gz DLJWZGOVKNTQCY-CQSZACIVSA-N 0 3 384.488 0.936 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001573732595 948604191 /nfs/dbraw/zinc/60/41/91/948604191.db2.gz SGYPYGVLKBZJPR-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573741024 948649202 /nfs/dbraw/zinc/64/92/02/948649202.db2.gz WYUWGQYGSOWKMJ-ZJUUUORDSA-N 0 3 384.437 0.033 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)n1cccn1 ZINC001573751967 948708606 /nfs/dbraw/zinc/70/86/06/948708606.db2.gz IVGHFVDEPQJYFJ-VZEFYGNVSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)n1cccn1 ZINC001573751967 948708613 /nfs/dbraw/zinc/70/86/13/948708613.db2.gz IVGHFVDEPQJYFJ-VZEFYGNVSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573753902 948722775 /nfs/dbraw/zinc/72/27/75/948722775.db2.gz YDKOTEYZZSLCTN-LERXQTSPSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573753902 948722778 /nfs/dbraw/zinc/72/27/78/948722778.db2.gz YDKOTEYZZSLCTN-LERXQTSPSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](CNC(=O)CCc1ccn(C)n1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574916740 948785178 /nfs/dbraw/zinc/78/51/78/948785178.db2.gz IMHBQSSZOOKIQC-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@@H](CNC(=O)CCc1ccn(C)n1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574916740 948785183 /nfs/dbraw/zinc/78/51/83/948785183.db2.gz IMHBQSSZOOKIQC-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@@H](CNC(=O)CCc1ccnn1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574916882 948793358 /nfs/dbraw/zinc/79/33/58/948793358.db2.gz LUKIXMMUKQQFSB-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@@H](CNC(=O)CCc1ccnn1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574916882 948793368 /nfs/dbraw/zinc/79/33/68/948793368.db2.gz LUKIXMMUKQQFSB-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1ccnn1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574917307 948813905 /nfs/dbraw/zinc/81/39/05/948813905.db2.gz WENNLLIZSDEFNO-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1ccnn1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574917307 948813921 /nfs/dbraw/zinc/81/39/21/948813921.db2.gz WENNLLIZSDEFNO-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)(C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCC1 ZINC001573761667 948843112 /nfs/dbraw/zinc/84/31/12/948843112.db2.gz KPGKDKNUAHZPLC-UHFFFAOYSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H](CNC(=O)CCC[NH+]1CCCC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918494 948843965 /nfs/dbraw/zinc/84/39/65/948843965.db2.gz LNPFEZJNGGRWLX-ZDUSSCGKSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@@H](CNC(=O)CCC[NH+]1CCCC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918494 948843985 /nfs/dbraw/zinc/84/39/85/948843985.db2.gz LNPFEZJNGGRWLX-ZDUSSCGKSA-N 0 3 388.476 0.553 20 0 GCADHN C[C@@H](CNC(=O)CCCn1cncn1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574918973 948864240 /nfs/dbraw/zinc/86/42/40/948864240.db2.gz SMIITOUJWGZNED-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@@H](CNC(=O)CCCn1cncn1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574918973 948864255 /nfs/dbraw/zinc/86/42/55/948864255.db2.gz SMIITOUJWGZNED-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@@H](CNC(=O)CCCn1cncn1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574918973 948864278 /nfs/dbraw/zinc/86/42/78/948864278.db2.gz SMIITOUJWGZNED-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN C[C@@H](CNC(=O)CCCn1cncn1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574918973 948864293 /nfs/dbraw/zinc/86/42/93/948864293.db2.gz SMIITOUJWGZNED-AWEZNQCLSA-N 0 3 383.460 0.875 20 0 GCADHN CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCC1 ZINC001573763934 948877198 /nfs/dbraw/zinc/87/71/98/948877198.db2.gz IUYWMNGJPRPIIY-ZDUSSCGKSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574920054 948880413 /nfs/dbraw/zinc/88/04/13/948880413.db2.gz BBRZFKWAKXEGGO-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)(C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001573764346 948886288 /nfs/dbraw/zinc/88/62/88/948886288.db2.gz NOSGKQVDAGACGF-ZDUSSCGKSA-N 0 3 385.476 0.934 20 0 GCADHN CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCC1 ZINC001573765362 948904544 /nfs/dbraw/zinc/90/45/44/948904544.db2.gz ZSWATZVKRASZNN-ZDUSSCGKSA-N 0 3 385.476 0.934 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+]1CCCC1 ZINC001573765602 948916104 /nfs/dbraw/zinc/91/61/04/948916104.db2.gz RIWBAZRGRSFOSZ-CYBMUJFWSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574921202 948916147 /nfs/dbraw/zinc/91/61/47/948916147.db2.gz VCVBJZKKIVYFRM-NSHDSACASA-N 0 3 387.423 0.361 20 0 GCADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574921202 948916161 /nfs/dbraw/zinc/91/61/61/948916161.db2.gz VCVBJZKKIVYFRM-NSHDSACASA-N 0 3 387.423 0.361 20 0 GCADHN C[C@H](CNC(=O)CCn1ccccc1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574923062 948932701 /nfs/dbraw/zinc/93/27/01/948932701.db2.gz CBOPNRKMAATKGB-CQSZACIVSA-N 0 3 381.440 0.713 20 0 GCADHN C[C@H](CNC(=O)CCn1ccccc1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574923062 948932713 /nfs/dbraw/zinc/93/27/13/948932713.db2.gz CBOPNRKMAATKGB-CQSZACIVSA-N 0 3 381.440 0.713 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCC1 ZINC001573771704 948946342 /nfs/dbraw/zinc/94/63/42/948946342.db2.gz LEXNTQDOTLDEPO-CYBMUJFWSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574924122 948966056 /nfs/dbraw/zinc/96/60/56/948966056.db2.gz WNZHEJYPKSHEAI-AWEZNQCLSA-N 0 3 381.440 0.713 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574434405 948980041 /nfs/dbraw/zinc/98/00/41/948980041.db2.gz JBFICOABGOKEEC-GFCCVEGCSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574434405 948980053 /nfs/dbraw/zinc/98/00/53/948980053.db2.gz JBFICOABGOKEEC-GFCCVEGCSA-N 0 3 384.448 0.271 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575242120 948982103 /nfs/dbraw/zinc/98/21/03/948982103.db2.gz HBAJFXJHEXYPCE-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575242120 948982118 /nfs/dbraw/zinc/98/21/18/948982118.db2.gz HBAJFXJHEXYPCE-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575242120 948982129 /nfs/dbraw/zinc/98/21/29/948982129.db2.gz HBAJFXJHEXYPCE-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575242120 948982134 /nfs/dbraw/zinc/98/21/34/948982134.db2.gz HBAJFXJHEXYPCE-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574926068 948985238 /nfs/dbraw/zinc/98/52/38/948985238.db2.gz HPQAOAWEQQEGNP-AWEZNQCLSA-N 0 3 385.472 0.864 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574926226 948990182 /nfs/dbraw/zinc/99/01/82/948990182.db2.gz LHTAWTRYMQCWLV-LLVKDONJSA-N 0 3 390.423 0.015 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574926226 948990186 /nfs/dbraw/zinc/99/01/86/948990186.db2.gz LHTAWTRYMQCWLV-LLVKDONJSA-N 0 3 390.423 0.015 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926362 948998042 /nfs/dbraw/zinc/99/80/42/948998042.db2.gz OKRRZITUBMPHJK-GFCCVEGCSA-N 0 3 389.435 0.613 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574926362 948998048 /nfs/dbraw/zinc/99/80/48/948998048.db2.gz OKRRZITUBMPHJK-GFCCVEGCSA-N 0 3 389.435 0.613 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926617 949010635 /nfs/dbraw/zinc/01/06/35/949010635.db2.gz BAONRQCUIXTJPJ-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926617 949010648 /nfs/dbraw/zinc/01/06/48/949010648.db2.gz BAONRQCUIXTJPJ-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575244214 949014643 /nfs/dbraw/zinc/01/46/43/949014643.db2.gz YAXOHCCOUZQKNC-OLZOCXBDSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575244214 949014663 /nfs/dbraw/zinc/01/46/63/949014663.db2.gz YAXOHCCOUZQKNC-OLZOCXBDSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574926955 949030229 /nfs/dbraw/zinc/03/02/29/949030229.db2.gz DGBCXXAWTUYBBV-SNVBAGLBSA-N 0 3 375.408 0.126 20 0 GCADHN CC(C)c1nocc1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574441053 949046694 /nfs/dbraw/zinc/04/66/94/949046694.db2.gz AMMPTYUEGJQYEH-CYBMUJFWSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1nocc1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574441053 949046709 /nfs/dbraw/zinc/04/67/09/949046709.db2.gz AMMPTYUEGJQYEH-CYBMUJFWSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1nocc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574441055 949047527 /nfs/dbraw/zinc/04/75/27/949047527.db2.gz AMMPTYUEGJQYEH-ZDUSSCGKSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)c1nocc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574441055 949047540 /nfs/dbraw/zinc/04/75/40/949047540.db2.gz AMMPTYUEGJQYEH-ZDUSSCGKSA-N 0 3 385.428 0.859 20 0 GCADHN CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+](C)C ZINC001574694810 949096093 /nfs/dbraw/zinc/09/60/93/949096093.db2.gz WPCZVSAYZDBZOO-RISCZKNCSA-N 0 3 376.465 0.358 20 0 GCADHN CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574093588 949110468 /nfs/dbraw/zinc/11/04/68/949110468.db2.gz WDILZUKAEKRYFJ-HUUCEWRRSA-N 0 3 384.488 0.792 20 0 GCADHN C[C@@H](CNC(=O)COCc1nccn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574934455 949163566 /nfs/dbraw/zinc/16/35/66/949163566.db2.gz IMPLGHYBGOQZMV-ZDUSSCGKSA-N 0 3 384.444 0.411 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574697863 949164693 /nfs/dbraw/zinc/16/46/93/949164693.db2.gz CPIICSRLKAWUMO-QWRGUYRKSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574697863 949164711 /nfs/dbraw/zinc/16/47/11/949164711.db2.gz CPIICSRLKAWUMO-QWRGUYRKSA-N 0 3 377.424 0.454 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573787587 949185006 /nfs/dbraw/zinc/18/50/06/949185006.db2.gz YDLVNNGEFDVDBZ-HDJSIYSDSA-N 0 3 392.485 0.427 20 0 GCADHN CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573787587 949185023 /nfs/dbraw/zinc/18/50/23/949185023.db2.gz YDLVNNGEFDVDBZ-HDJSIYSDSA-N 0 3 392.485 0.427 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001574698482 949195338 /nfs/dbraw/zinc/19/53/38/949195338.db2.gz LLPSQWKKFKQLLZ-NWDGAFQWSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574698483 949196852 /nfs/dbraw/zinc/19/68/52/949196852.db2.gz LLPSQWKKFKQLLZ-RYUDHWBXSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574702373 949280925 /nfs/dbraw/zinc/28/09/25/949280925.db2.gz HXBYMFMGLRVWTC-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574702373 949280939 /nfs/dbraw/zinc/28/09/39/949280939.db2.gz HXBYMFMGLRVWTC-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)Cc1cncn1C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574941225 949297294 /nfs/dbraw/zinc/29/72/94/949297294.db2.gz BXMVYDCGFYBUSV-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)Cc1cncn1C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574941225 949297315 /nfs/dbraw/zinc/29/73/15/949297315.db2.gz BXMVYDCGFYBUSV-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574703133 949309491 /nfs/dbraw/zinc/30/94/91/949309491.db2.gz RJUBUWZQSGQDOG-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)n1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)n1 ZINC001574458680 949344689 /nfs/dbraw/zinc/34/46/89/949344689.db2.gz XOMKPKAHBKQYEQ-CQSZACIVSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)n1 ZINC001574458680 949344714 /nfs/dbraw/zinc/34/47/14/949344714.db2.gz XOMKPKAHBKQYEQ-CQSZACIVSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573798393 949346493 /nfs/dbraw/zinc/34/64/93/949346493.db2.gz BAYJDMGAPKBDAA-CQSZACIVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573798393 949346515 /nfs/dbraw/zinc/34/65/15/949346515.db2.gz BAYJDMGAPKBDAA-CQSZACIVSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574705433 949425792 /nfs/dbraw/zinc/42/57/92/949425792.db2.gz SVIIVBQLLRWRAB-WCQYABFASA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574705591 949428696 /nfs/dbraw/zinc/42/86/96/949428696.db2.gz JAMWTCPNAYRZKV-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574705591 949428709 /nfs/dbraw/zinc/42/87/09/949428709.db2.gz JAMWTCPNAYRZKV-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574705758 949433065 /nfs/dbraw/zinc/43/30/65/949433065.db2.gz UVVQVXYTNHASRN-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574705758 949433080 /nfs/dbraw/zinc/43/30/80/949433080.db2.gz UVVQVXYTNHASRN-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)Cn1ccccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574947965 949459696 /nfs/dbraw/zinc/45/96/96/949459696.db2.gz GLZDPBRCWHDWTD-LBPRGKRZSA-N 0 3 385.403 0.462 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574708077 949483895 /nfs/dbraw/zinc/48/38/95/949483895.db2.gz SPRDAURQXLBRAS-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574708077 949483912 /nfs/dbraw/zinc/48/39/12/949483912.db2.gz SPRDAURQXLBRAS-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574949331 949488412 /nfs/dbraw/zinc/48/84/12/949488412.db2.gz UGYIVNYEHWOSHU-LBPRGKRZSA-N 0 3 381.444 0.630 20 0 GCADHN C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574949331 949488429 /nfs/dbraw/zinc/48/84/29/949488429.db2.gz UGYIVNYEHWOSHU-LBPRGKRZSA-N 0 3 381.444 0.630 20 0 GCADHN CC(C)n1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574470427 949497419 /nfs/dbraw/zinc/49/74/19/949497419.db2.gz QDTOTDOTKWVWHY-OAHLLOKOSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574470427 949497433 /nfs/dbraw/zinc/49/74/33/949497433.db2.gz QDTOTDOTKWVWHY-OAHLLOKOSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573807959 949501213 /nfs/dbraw/zinc/50/12/13/949501213.db2.gz AYOWPQZGYXGWEJ-AWEZNQCLSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574710863 949515014 /nfs/dbraw/zinc/51/50/14/949515014.db2.gz BQZBCSGJEMTUDP-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574710863 949515028 /nfs/dbraw/zinc/51/50/28/949515028.db2.gz BQZBCSGJEMTUDP-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574710773 949518989 /nfs/dbraw/zinc/51/89/89/949518989.db2.gz BBWSYAPREYICEW-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574710773 949519004 /nfs/dbraw/zinc/51/90/04/949519004.db2.gz BBWSYAPREYICEW-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809042 949527356 /nfs/dbraw/zinc/52/73/56/949527356.db2.gz LPSYDWPEGNWGGD-CQSZACIVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574471764 949536914 /nfs/dbraw/zinc/53/69/14/949536914.db2.gz MZUZFQKRQDVZOB-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574471764 949536935 /nfs/dbraw/zinc/53/69/35/949536935.db2.gz MZUZFQKRQDVZOB-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574711507 949543312 /nfs/dbraw/zinc/54/33/12/949543312.db2.gz IBRAWFLWKNMQKZ-ZANVPECISA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575872555 949546831 /nfs/dbraw/zinc/54/68/31/949546831.db2.gz JQIVPRFWGQMRCS-UKRRQHHQSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575872555 949546848 /nfs/dbraw/zinc/54/68/48/949546848.db2.gz JQIVPRFWGQMRCS-UKRRQHHQSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574472478 949550900 /nfs/dbraw/zinc/55/09/00/949550900.db2.gz VIYCQQOEWGVDJZ-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575269747 949560828 /nfs/dbraw/zinc/56/08/28/949560828.db2.gz WSJUODFLEPKSSO-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574711998 949568430 /nfs/dbraw/zinc/56/84/30/949568430.db2.gz PKLUQOULEBTUGY-DGCLKSJQSA-N 0 3 379.490 0.195 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810642 949570615 /nfs/dbraw/zinc/57/06/15/949570615.db2.gz BFNPWXBPAFBBJP-CQSZACIVSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575270336 949586369 /nfs/dbraw/zinc/58/63/69/949586369.db2.gz CEYMPGUKALQOGO-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575270336 949586378 /nfs/dbraw/zinc/58/63/78/949586378.db2.gz CEYMPGUKALQOGO-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811363 949598931 /nfs/dbraw/zinc/59/89/31/949598931.db2.gz LAHCNMOLHISZJG-GJZGRUSLSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811363 949598942 /nfs/dbraw/zinc/59/89/42/949598942.db2.gz LAHCNMOLHISZJG-GJZGRUSLSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874109 949599869 /nfs/dbraw/zinc/59/98/69/949599869.db2.gz RFHFOGVQCJAGTK-SMDDNHRTSA-N 0 3 386.460 0.256 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811342 949599889 /nfs/dbraw/zinc/59/98/89/949599889.db2.gz KMGNQINLPPVYDA-CABCVRRESA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811342 949599905 /nfs/dbraw/zinc/59/99/05/949599905.db2.gz KMGNQINLPPVYDA-CABCVRRESA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1COC(=O)N1 ZINC001573811510 949599954 /nfs/dbraw/zinc/59/99/54/949599954.db2.gz LBBMHCRBFVVXQT-KGLIPLIRSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1COC(=O)N1 ZINC001573811510 949599966 /nfs/dbraw/zinc/59/99/66/949599966.db2.gz LBBMHCRBFVVXQT-KGLIPLIRSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811502 949600082 /nfs/dbraw/zinc/60/00/82/949600082.db2.gz LAHCNMOLHISZJG-LSDHHAIUSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573811502 949600099 /nfs/dbraw/zinc/60/00/99/949600099.db2.gz LAHCNMOLHISZJG-LSDHHAIUSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573811512 949600527 /nfs/dbraw/zinc/60/05/27/949600527.db2.gz LBBMHCRBFVVXQT-UONOGXRCSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573811512 949600546 /nfs/dbraw/zinc/60/05/46/949600546.db2.gz LBBMHCRBFVVXQT-UONOGXRCSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001574126091 949601016 /nfs/dbraw/zinc/60/10/16/949601016.db2.gz ZIKCLIMSVHZDCF-OWCLPIDISA-N 0 3 385.472 0.751 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001574126091 949601041 /nfs/dbraw/zinc/60/10/41/949601041.db2.gz ZIKCLIMSVHZDCF-OWCLPIDISA-N 0 3 385.472 0.751 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811500 949601637 /nfs/dbraw/zinc/60/16/37/949601637.db2.gz LAHCNMOLHISZJG-HUUCEWRRSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811500 949601654 /nfs/dbraw/zinc/60/16/54/949601654.db2.gz LAHCNMOLHISZJG-HUUCEWRRSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574957378 949608285 /nfs/dbraw/zinc/60/82/85/949608285.db2.gz WKUFZJPWRRLFNJ-NQBHXWOUSA-N 0 3 376.440 0.905 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574957378 949608299 /nfs/dbraw/zinc/60/82/99/949608299.db2.gz WKUFZJPWRRLFNJ-NQBHXWOUSA-N 0 3 376.440 0.905 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574957378 949608315 /nfs/dbraw/zinc/60/83/15/949608315.db2.gz WKUFZJPWRRLFNJ-NQBHXWOUSA-N 0 3 376.440 0.905 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574957378 949608328 /nfs/dbraw/zinc/60/83/28/949608328.db2.gz WKUFZJPWRRLFNJ-NQBHXWOUSA-N 0 3 376.440 0.905 20 0 GCADHN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576167956 949622967 /nfs/dbraw/zinc/62/29/67/949622967.db2.gz AOCFHRYFKNRWPI-SWLSCSKDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576167956 949622982 /nfs/dbraw/zinc/62/29/82/949622982.db2.gz AOCFHRYFKNRWPI-SWLSCSKDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574476879 949624543 /nfs/dbraw/zinc/62/45/43/949624543.db2.gz IGZCWSZJRYWCEM-JTQLQIEISA-N 0 3 378.412 0.001 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874809 949624965 /nfs/dbraw/zinc/62/49/65/949624965.db2.gz HCNDURHPPDYXMD-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874809 949624987 /nfs/dbraw/zinc/62/49/87/949624987.db2.gz HCNDURHPPDYXMD-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)Cn1cncn1 ZINC001573813190 949625214 /nfs/dbraw/zinc/62/52/14/949625214.db2.gz WNJAQTYFDSNEDZ-OAHLLOKOSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)Cn1cncn1 ZINC001573813190 949625232 /nfs/dbraw/zinc/62/52/32/949625232.db2.gz WNJAQTYFDSNEDZ-OAHLLOKOSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573813209 949630001 /nfs/dbraw/zinc/63/00/01/949630001.db2.gz WZQDDGJLUQKEFP-KBPBESRZSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573813209 949630014 /nfs/dbraw/zinc/63/00/14/949630014.db2.gz WZQDDGJLUQKEFP-KBPBESRZSA-N 0 3 387.444 0.596 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575272473 949646501 /nfs/dbraw/zinc/64/65/01/949646501.db2.gz REHIWSIWAQOFJE-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575272473 949646519 /nfs/dbraw/zinc/64/65/19/949646519.db2.gz REHIWSIWAQOFJE-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574715759 949663718 /nfs/dbraw/zinc/66/37/18/949663718.db2.gz GFKAXRSRLWFXDG-VXGBXAGGSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574715759 949663740 /nfs/dbraw/zinc/66/37/40/949663740.db2.gz GFKAXRSRLWFXDG-VXGBXAGGSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCOC1 ZINC001575548216 949665540 /nfs/dbraw/zinc/66/55/40/949665540.db2.gz UIHPTGJLDWADOH-KXBFYZLASA-N 0 3 386.456 0.610 20 0 GCADHN C[C@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCOC1 ZINC001575548216 949665558 /nfs/dbraw/zinc/66/55/58/949665558.db2.gz UIHPTGJLDWADOH-KXBFYZLASA-N 0 3 386.456 0.610 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574716072 949679076 /nfs/dbraw/zinc/67/90/76/949679076.db2.gz LVLHMZKGVBKRIB-UKRRQHHQSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574716072 949679092 /nfs/dbraw/zinc/67/90/92/949679092.db2.gz LVLHMZKGVBKRIB-UKRRQHHQSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716119 949680020 /nfs/dbraw/zinc/68/00/20/949680020.db2.gz MPGRGLQKPOEITE-YPMHNXCESA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716119 949680032 /nfs/dbraw/zinc/68/00/32/949680032.db2.gz MPGRGLQKPOEITE-YPMHNXCESA-N 0 3 389.435 0.611 20 0 GCADHN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001575554255 949691752 /nfs/dbraw/zinc/69/17/52/949691752.db2.gz PZRDTUNSDRGGSR-KXBFYZLASA-N 0 3 383.456 0.474 20 0 GCADHN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001575554255 949691766 /nfs/dbraw/zinc/69/17/66/949691766.db2.gz PZRDTUNSDRGGSR-KXBFYZLASA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716877 949711229 /nfs/dbraw/zinc/71/12/29/949711229.db2.gz MFUDMHBJXWXOBY-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716877 949711240 /nfs/dbraw/zinc/71/12/40/949711240.db2.gz MFUDMHBJXWXOBY-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716874 949712333 /nfs/dbraw/zinc/71/23/33/949712333.db2.gz MFUDMHBJXWXOBY-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716874 949712353 /nfs/dbraw/zinc/71/23/53/949712353.db2.gz MFUDMHBJXWXOBY-AAEUAGOBSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001576170664 949727452 /nfs/dbraw/zinc/72/74/52/949727452.db2.gz MSMFCCAZPJJWIU-CHWSQXEVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574717414 949737931 /nfs/dbraw/zinc/73/79/31/949737931.db2.gz PQKIXOXKYMAKHZ-DGCLKSJQSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574717414 949737951 /nfs/dbraw/zinc/73/79/51/949737951.db2.gz PQKIXOXKYMAKHZ-DGCLKSJQSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574963726 949752744 /nfs/dbraw/zinc/75/27/44/949752744.db2.gz LQTHMDUCQHUCPA-TUAOUCFPSA-N 0 3 389.435 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574963726 949752766 /nfs/dbraw/zinc/75/27/66/949752766.db2.gz LQTHMDUCQHUCPA-TUAOUCFPSA-N 0 3 389.435 0.502 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574963644 949753544 /nfs/dbraw/zinc/75/35/44/949753544.db2.gz KFOZJKSTZMJBNU-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574963644 949753563 /nfs/dbraw/zinc/75/35/63/949753563.db2.gz KFOZJKSTZMJBNU-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574718051 949757485 /nfs/dbraw/zinc/75/74/85/949757485.db2.gz YLAWEERDUJZQTI-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574718051 949757499 /nfs/dbraw/zinc/75/74/99/949757499.db2.gz YLAWEERDUJZQTI-WDEREUQCSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576171224 949758842 /nfs/dbraw/zinc/75/88/42/949758842.db2.gz PMWXKEGCWLJZBE-NHYWBVRUSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CC(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1)NC(N)=O ZINC001574481189 949769543 /nfs/dbraw/zinc/76/95/43/949769543.db2.gz NDOCYARGKNPBSQ-LBPRGKRZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1)NC(N)=O ZINC001574481189 949769563 /nfs/dbraw/zinc/76/95/63/949769563.db2.gz NDOCYARGKNPBSQ-LBPRGKRZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574964450 949774923 /nfs/dbraw/zinc/77/49/23/949774923.db2.gz WTMLCTADCBKUKW-QMTHXVAHSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574964450 949774939 /nfs/dbraw/zinc/77/49/39/949774939.db2.gz WTMLCTADCBKUKW-QMTHXVAHSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@@H](NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575280857 949791158 /nfs/dbraw/zinc/79/11/58/949791158.db2.gz ATZCBLNPAAATDB-NQBHXWOUSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575280860 949791574 /nfs/dbraw/zinc/79/15/74/949791574.db2.gz ATZCBLNPAAATDB-ZBOXLXRLSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CN(C)C(=O)CCNC(N)=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574720736 949805405 /nfs/dbraw/zinc/80/54/05/949805405.db2.gz GMRMILGGWGFGHZ-SNVBAGLBSA-N 0 3 378.412 0.001 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575281473 949813591 /nfs/dbraw/zinc/81/35/91/949813591.db2.gz GQUVZWDKAUWSEV-FNBIGBAISA-N 0 3 386.460 0.302 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1CCc1cnn(C)c1 ZINC001575884672 949850093 /nfs/dbraw/zinc/85/00/93/949850093.db2.gz VJVVQILAXNTAOM-SWLSCSKDSA-N 0 3 383.460 0.754 20 0 GCADHN C[C@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574724343 949872503 /nfs/dbraw/zinc/87/25/03/949872503.db2.gz HEIBKBHYNOQVTC-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1cncn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574724719 949878185 /nfs/dbraw/zinc/87/81/85/949878185.db2.gz JZFZJNYLJNZIRD-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283686 949878633 /nfs/dbraw/zinc/87/86/33/949878633.db2.gz QUPDLCCVLGLEHE-VXGBXAGGSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(N)=O ZINC001574484506 949884730 /nfs/dbraw/zinc/88/47/30/949884730.db2.gz HZNBJUIQIQKUOO-SWLSCSKDSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(N)=O ZINC001574484506 949884750 /nfs/dbraw/zinc/88/47/50/949884750.db2.gz HZNBJUIQIQKUOO-SWLSCSKDSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574725047 949887741 /nfs/dbraw/zinc/88/77/41/949887741.db2.gz OESCQJDIFTXWCV-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143328 949889306 /nfs/dbraw/zinc/88/93/06/949889306.db2.gz GIWUVPNAECUJDB-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143328 949889320 /nfs/dbraw/zinc/88/93/20/949889320.db2.gz GIWUVPNAECUJDB-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143328 949889344 /nfs/dbraw/zinc/88/93/44/949889344.db2.gz GIWUVPNAECUJDB-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143328 949889365 /nfs/dbraw/zinc/88/93/65/949889365.db2.gz GIWUVPNAECUJDB-TZMCWYRMSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968418 949897360 /nfs/dbraw/zinc/89/73/60/949897360.db2.gz PFXZYPJFRUSAMG-DOMZBBRYSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968418 949897380 /nfs/dbraw/zinc/89/73/80/949897380.db2.gz PFXZYPJFRUSAMG-DOMZBBRYSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576179053 949909217 /nfs/dbraw/zinc/90/92/17/949909217.db2.gz JNWOAVBDEXBMIX-ZDUSSCGKSA-N 0 3 388.476 0.600 20 0 GCADHN C[C@H]1CCC[N@H+]1CC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576179053 949909237 /nfs/dbraw/zinc/90/92/37/949909237.db2.gz JNWOAVBDEXBMIX-ZDUSSCGKSA-N 0 3 388.476 0.600 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574725718 949911108 /nfs/dbraw/zinc/91/11/08/949911108.db2.gz BPMUCGAAKOKSRK-SWLSCSKDSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574725718 949911130 /nfs/dbraw/zinc/91/11/30/949911130.db2.gz BPMUCGAAKOKSRK-SWLSCSKDSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574725708 949911263 /nfs/dbraw/zinc/91/12/63/949911263.db2.gz BKVKCUHAKDLZQC-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574725708 949911278 /nfs/dbraw/zinc/91/12/78/949911278.db2.gz BKVKCUHAKDLZQC-CYBMUJFWSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCOCC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574725850 949913874 /nfs/dbraw/zinc/91/38/74/949913874.db2.gz CTCSKZTVXJGRNG-ZDUSSCGKSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574725890 949915229 /nfs/dbraw/zinc/91/52/29/949915229.db2.gz VNSZOHPXUAXHRL-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574725890 949915243 /nfs/dbraw/zinc/91/52/43/949915243.db2.gz VNSZOHPXUAXHRL-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575284690 949917102 /nfs/dbraw/zinc/91/71/02/949917102.db2.gz VNUHYUKLYOYFBZ-MJVIPROJSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284690 949917124 /nfs/dbraw/zinc/91/71/24/949917124.db2.gz VNUHYUKLYOYFBZ-MJVIPROJSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574485684 949924116 /nfs/dbraw/zinc/92/41/16/949924116.db2.gz YUVKVJVTWRVSBG-KGLIPLIRSA-N 0 3 381.444 0.934 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574485685 949926106 /nfs/dbraw/zinc/92/61/06/949926106.db2.gz YUVKVJVTWRVSBG-UONOGXRCSA-N 0 3 381.444 0.934 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574726309 949935294 /nfs/dbraw/zinc/93/52/94/949935294.db2.gz IDHKQXDWXROPGP-GXTWGEPZSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](NC(=O)C[NH2+][C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)C1CC1 ZINC001575285147 949937419 /nfs/dbraw/zinc/93/74/19/949937419.db2.gz ZDSNRRCCTJHCIM-ZUZCIYMTSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574972500 949939789 /nfs/dbraw/zinc/93/97/89/949939789.db2.gz CGENHLGKYVIOCI-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001574972500 949939808 /nfs/dbraw/zinc/93/98/08/949939808.db2.gz CGENHLGKYVIOCI-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574972500 949939821 /nfs/dbraw/zinc/93/98/21/949939821.db2.gz CGENHLGKYVIOCI-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001574972500 949939839 /nfs/dbraw/zinc/93/98/39/949939839.db2.gz CGENHLGKYVIOCI-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575285545 949947736 /nfs/dbraw/zinc/94/77/36/949947736.db2.gz OJBFHDFBYRRXQW-UONOGXRCSA-N 0 3 387.492 0.718 20 0 GCADHN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575285545 949947757 /nfs/dbraw/zinc/94/77/57/949947757.db2.gz OJBFHDFBYRRXQW-UONOGXRCSA-N 0 3 387.492 0.718 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)N(CC[NH+](C)C)CC(=O)[O-])CC2)c1 ZINC000237118045 949951118 /nfs/dbraw/zinc/95/11/18/949951118.db2.gz JVWAPZQYYNSGPL-UHFFFAOYSA-N 0 3 376.501 0.982 20 0 GCADHN C[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575572880 949983607 /nfs/dbraw/zinc/98/36/07/949983607.db2.gz IVLIDWRBAQSEEB-UGSOOPFHSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)Cc1ccc(C(N)=O)cc1 ZINC001574974621 949997438 /nfs/dbraw/zinc/99/74/38/949997438.db2.gz BUIRMTGKCYSOAQ-NSHDSACASA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1cnn(C)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574729040 950015010 /nfs/dbraw/zinc/01/50/10/950015010.db2.gz MUVHGSQSSUUIGN-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150407 950032930 /nfs/dbraw/zinc/03/29/30/950032930.db2.gz ZOAQLXSFRUKLCI-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150407 950032949 /nfs/dbraw/zinc/03/29/49/950032949.db2.gz ZOAQLXSFRUKLCI-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150407 950032972 /nfs/dbraw/zinc/03/29/72/950032972.db2.gz ZOAQLXSFRUKLCI-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150407 950032993 /nfs/dbraw/zinc/03/29/93/950032993.db2.gz ZOAQLXSFRUKLCI-JSGCOSHPSA-N 0 3 388.476 0.407 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574731384 950046285 /nfs/dbraw/zinc/04/62/85/950046285.db2.gz CVYVSJHPKUIEQF-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN CC(C)C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150922 950046792 /nfs/dbraw/zinc/04/67/92/950046792.db2.gz HBYDTDUXDYALBK-AAEUAGOBSA-N 0 3 376.465 0.406 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H](C)NC(N)=O ZINC001574151002 950051660 /nfs/dbraw/zinc/05/16/60/950051660.db2.gz JBAVAJINPKZYMI-SWLSCSKDSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H](C)NC(N)=O ZINC001574151002 950051678 /nfs/dbraw/zinc/05/16/78/950051678.db2.gz JBAVAJINPKZYMI-SWLSCSKDSA-N 0 3 388.476 0.544 20 0 GCADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCCOC1 ZINC001575575283 950053420 /nfs/dbraw/zinc/05/34/20/950053420.db2.gz IDAYEDHARHZQBK-RDTXWAMCSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCCOC1 ZINC001575575283 950053442 /nfs/dbraw/zinc/05/34/42/950053442.db2.gz IDAYEDHARHZQBK-RDTXWAMCSA-N 0 3 392.435 0.389 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574151304 950068080 /nfs/dbraw/zinc/06/80/80/950068080.db2.gz OZTWDNZNWLKROJ-CABCVRRESA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574151304 950068100 /nfs/dbraw/zinc/06/81/00/950068100.db2.gz OZTWDNZNWLKROJ-CABCVRRESA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151427 950075545 /nfs/dbraw/zinc/07/55/45/950075545.db2.gz QZUBLRVFHKZELF-ZIAGYGMSSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575892536 950076390 /nfs/dbraw/zinc/07/63/90/950076390.db2.gz XQWRXHNBIFQYOY-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575892536 950076412 /nfs/dbraw/zinc/07/64/12/950076412.db2.gz XQWRXHNBIFQYOY-QWHCGFSZSA-N 0 3 388.476 0.646 20 0 GCADHN CC(C)c1nccn1CC(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574732783 950077183 /nfs/dbraw/zinc/07/71/83/950077183.db2.gz KRHAVAQDQMETFI-ZDUSSCGKSA-N 0 3 383.460 0.963 20 0 GCADHN C[C@@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574732788 950077347 /nfs/dbraw/zinc/07/73/47/950077347.db2.gz KRPYYFLXRQCWDU-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574732788 950077365 /nfs/dbraw/zinc/07/73/65/950077365.db2.gz KRPYYFLXRQCWDU-AWEZNQCLSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574732818 950082022 /nfs/dbraw/zinc/08/20/22/950082022.db2.gz KZHDLZLIQRYCJC-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574732818 950082040 /nfs/dbraw/zinc/08/20/40/950082040.db2.gz KZHDLZLIQRYCJC-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574151576 950082929 /nfs/dbraw/zinc/08/29/29/950082929.db2.gz VOTXJEPEKQIUQF-CABCVRRESA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574151576 950082956 /nfs/dbraw/zinc/08/29/56/950082956.db2.gz VOTXJEPEKQIUQF-CABCVRRESA-N 0 3 386.460 0.169 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574732954 950083447 /nfs/dbraw/zinc/08/34/47/950083447.db2.gz NRIHZVSNSKQALZ-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574732954 950083467 /nfs/dbraw/zinc/08/34/67/950083467.db2.gz NRIHZVSNSKQALZ-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCCOC1 ZINC001575577884 950088637 /nfs/dbraw/zinc/08/86/37/950088637.db2.gz XXQFQYPSWCFCBO-FZKQIMNGSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCCOC1 ZINC001575577889 950089862 /nfs/dbraw/zinc/08/98/62/950089862.db2.gz XXQFQYPSWCFCBO-UGSOOPFHSA-N 0 3 392.435 0.389 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574151856 950094657 /nfs/dbraw/zinc/09/46/57/950094657.db2.gz ZNKKNBPUYYQYEF-CABCVRRESA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574151856 950094680 /nfs/dbraw/zinc/09/46/80/950094680.db2.gz ZNKKNBPUYYQYEF-CABCVRRESA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574976739 950097787 /nfs/dbraw/zinc/09/77/87/950097787.db2.gz ZPYRQSOKUVKAKU-JSGCOSHPSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574976739 950097811 /nfs/dbraw/zinc/09/78/11/950097811.db2.gz ZPYRQSOKUVKAKU-JSGCOSHPSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574976739 950097820 /nfs/dbraw/zinc/09/78/20/950097820.db2.gz ZPYRQSOKUVKAKU-JSGCOSHPSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574976739 950097840 /nfs/dbraw/zinc/09/78/40/950097840.db2.gz ZPYRQSOKUVKAKU-JSGCOSHPSA-N 0 3 388.476 0.692 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574152892 950119437 /nfs/dbraw/zinc/11/94/37/950119437.db2.gz LMPIKTZNUJNOLD-XHSDSOJGSA-N 0 3 385.472 0.609 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574152892 950119447 /nfs/dbraw/zinc/11/94/47/950119447.db2.gz LMPIKTZNUJNOLD-XHSDSOJGSA-N 0 3 385.472 0.609 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1ncn(C)n1 ZINC001574152881 950120710 /nfs/dbraw/zinc/12/07/10/950120710.db2.gz LEDOCQSWKIRVAL-AWEZNQCLSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1ncn(C)n1 ZINC001574152881 950120719 /nfs/dbraw/zinc/12/07/19/950120719.db2.gz LEDOCQSWKIRVAL-AWEZNQCLSA-N 0 3 383.460 0.930 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576184599 950132636 /nfs/dbraw/zinc/13/26/36/950132636.db2.gz WEDCHTCGILDANB-GXTWGEPZSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576184599 950132646 /nfs/dbraw/zinc/13/26/46/950132646.db2.gz WEDCHTCGILDANB-GXTWGEPZSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576185063 950155512 /nfs/dbraw/zinc/15/55/12/950155512.db2.gz ZAQHUDUPIWUSRW-STQMWFEESA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CC(=O)NC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)NC(N)=O ZINC001574494671 950172867 /nfs/dbraw/zinc/17/28/67/950172867.db2.gz MOCJAYRONFJJAK-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)NC(N)=O ZINC001574494671 950172882 /nfs/dbraw/zinc/17/28/82/950172882.db2.gz MOCJAYRONFJJAK-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576191015 950181165 /nfs/dbraw/zinc/18/11/65/950181165.db2.gz FYHBWXONWOFSIW-OCCSQVGLSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576191015 950181174 /nfs/dbraw/zinc/18/11/74/950181174.db2.gz FYHBWXONWOFSIW-OCCSQVGLSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)NC(N)=O ZINC001574494824 950185656 /nfs/dbraw/zinc/18/56/56/950185656.db2.gz OYGATAGRGZZBMD-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)NC(N)=O ZINC001574494824 950185664 /nfs/dbraw/zinc/18/56/64/950185664.db2.gz OYGATAGRGZZBMD-IAQYHMDHSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001574982845 950186665 /nfs/dbraw/zinc/18/66/65/950186665.db2.gz HCFTXHAVCLGKOR-QWRGUYRKSA-N 0 3 376.465 0.454 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001574982845 950186678 /nfs/dbraw/zinc/18/66/78/950186678.db2.gz HCFTXHAVCLGKOR-QWRGUYRKSA-N 0 3 376.465 0.454 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001574982844 950189181 /nfs/dbraw/zinc/18/91/81/950189181.db2.gz HCFTXHAVCLGKOR-MNOVXSKESA-N 0 3 376.465 0.454 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001574982844 950189191 /nfs/dbraw/zinc/18/91/91/950189191.db2.gz HCFTXHAVCLGKOR-MNOVXSKESA-N 0 3 376.465 0.454 20 0 GCADHN CC(C)[C@@H](C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574982912 950190559 /nfs/dbraw/zinc/19/05/59/950190559.db2.gz IEYWMPOHGMXJKW-FZMZJTMJSA-N 0 3 376.465 0.263 20 0 GCADHN CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574983118 950200366 /nfs/dbraw/zinc/20/03/66/950200366.db2.gz KFLTVZSOFZINJU-VXGBXAGGSA-N 0 3 376.465 0.406 20 0 GCADHN CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983118 950200385 /nfs/dbraw/zinc/20/03/85/950200385.db2.gz KFLTVZSOFZINJU-VXGBXAGGSA-N 0 3 376.465 0.406 20 0 GCADHN CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574983115 950200750 /nfs/dbraw/zinc/20/07/50/950200750.db2.gz KFLTVZSOFZINJU-NEPJUHHUSA-N 0 3 376.465 0.406 20 0 GCADHN CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983115 950200769 /nfs/dbraw/zinc/20/07/69/950200769.db2.gz KFLTVZSOFZINJU-NEPJUHHUSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574739650 950202138 /nfs/dbraw/zinc/20/21/38/950202138.db2.gz UUTCVSBJNCWFOJ-JTQLQIEISA-N 0 3 388.407 0.695 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]CC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573844607 950203050 /nfs/dbraw/zinc/20/30/50/950203050.db2.gz CQIXDZPAFAAUQA-UHFFFAOYSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001576191675 950203679 /nfs/dbraw/zinc/20/36/79/950203679.db2.gz HRXOYOQSQVBHCG-CYBMUJFWSA-N 0 3 387.463 0.990 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001576191675 950203692 /nfs/dbraw/zinc/20/36/92/950203692.db2.gz HRXOYOQSQVBHCG-CYBMUJFWSA-N 0 3 387.463 0.990 20 0 GCADHN CC(C)(C)CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573844980 950212138 /nfs/dbraw/zinc/21/21/38/950212138.db2.gz PSLYMYGYXDYWKH-JOCQHMNTSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191946 950216772 /nfs/dbraw/zinc/21/67/72/950216772.db2.gz KUZUVSGALKWOMT-DOMZBBRYSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191946 950216800 /nfs/dbraw/zinc/21/68/00/950216800.db2.gz KUZUVSGALKWOMT-DOMZBBRYSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)CCCC(N)=O ZINC001575901062 950217508 /nfs/dbraw/zinc/21/75/08/950217508.db2.gz KLPMPDKKAYYYAL-ABAIWWIYSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574739986 950219604 /nfs/dbraw/zinc/21/96/04/950219604.db2.gz APWIDUUVJPUIAV-VOJFVSQTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573845549 950231625 /nfs/dbraw/zinc/23/16/25/950231625.db2.gz GRHDYIQGZVOFPN-AULYBMBSSA-N 0 3 388.476 0.455 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573845549 950231644 /nfs/dbraw/zinc/23/16/44/950231644.db2.gz GRHDYIQGZVOFPN-AULYBMBSSA-N 0 3 388.476 0.455 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574740773 950235182 /nfs/dbraw/zinc/23/51/82/950235182.db2.gz GHRKCDXYTJSYIR-MAZHCROVSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574740774 950235483 /nfs/dbraw/zinc/23/54/83/950235483.db2.gz GHRKCDXYTJSYIR-WQVCFCJDSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)Cn1ccnc1 ZINC001575901843 950241757 /nfs/dbraw/zinc/24/17/57/950241757.db2.gz QQQYPLUQNMJNTK-LRDDRELGSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)Cn1ccnc1 ZINC001575901843 950241771 /nfs/dbraw/zinc/24/17/71/950241771.db2.gz QQQYPLUQNMJNTK-LRDDRELGSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@@H]1[C@H]([NH2+]CC(=O)N2CCCCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575901825 950242787 /nfs/dbraw/zinc/24/27/87/950242787.db2.gz QICQYJXHCULZJY-TZMCWYRMSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cn1cccn1 ZINC001575901879 950243185 /nfs/dbraw/zinc/24/31/85/950243185.db2.gz REKDEILMXQLZMB-LRDDRELGSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575902466 950259598 /nfs/dbraw/zinc/25/95/98/950259598.db2.gz VMALLISYQRFORL-JQWIXIFHSA-N 0 3 389.851 0.938 20 0 GCADHN C[C@H]1[C@@H]([NH2+]CCn2cc(Cl)cn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575902466 950259619 /nfs/dbraw/zinc/25/96/19/950259619.db2.gz VMALLISYQRFORL-JQWIXIFHSA-N 0 3 389.851 0.938 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+]CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573849785 950264926 /nfs/dbraw/zinc/26/49/26/950264926.db2.gz BXWSSAPRHMPMLK-UHFFFAOYSA-N 0 3 377.453 0.002 20 0 GCADHN CC(C)(C)NC(=O)NCC[NH2+]CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573849785 950264946 /nfs/dbraw/zinc/26/49/46/950264946.db2.gz BXWSSAPRHMPMLK-UHFFFAOYSA-N 0 3 377.453 0.002 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)C1 ZINC001576192842 950271112 /nfs/dbraw/zinc/27/11/12/950271112.db2.gz PXUHERILAOCJJQ-IUODEOHRSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)C1 ZINC001576192842 950271133 /nfs/dbraw/zinc/27/11/33/950271133.db2.gz PXUHERILAOCJJQ-IUODEOHRSA-N 0 3 385.476 0.647 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]CC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573850476 950274179 /nfs/dbraw/zinc/27/41/79/950274179.db2.gz JYNJCOSTVVDXDV-UHFFFAOYSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)CCNC(N)=O ZINC001575902919 950274109 /nfs/dbraw/zinc/27/41/09/950274109.db2.gz YIQBNELBUDNSDX-YGRLFVJLSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001576193221 950285291 /nfs/dbraw/zinc/28/52/91/950285291.db2.gz SRKSZOQVYTWJDK-JSGCOSHPSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C[NH2+]Cc1ccnn1C ZINC001576193221 950285311 /nfs/dbraw/zinc/28/53/11/950285311.db2.gz SRKSZOQVYTWJDK-JSGCOSHPSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576193220 950285738 /nfs/dbraw/zinc/28/57/38/950285738.db2.gz SRKSZOQVYTWJDK-GXTWGEPZSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576193220 950285747 /nfs/dbraw/zinc/28/57/47/950285747.db2.gz SRKSZOQVYTWJDK-GXTWGEPZSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCC[NH+]1CCCC1 ZINC001574742484 950288328 /nfs/dbraw/zinc/28/83/28/950288328.db2.gz LQEHDRHAJGDGIZ-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCC[NH+]1CCCC1 ZINC001574742484 950288347 /nfs/dbraw/zinc/28/83/47/950288347.db2.gz LQEHDRHAJGDGIZ-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573851139 950288800 /nfs/dbraw/zinc/28/88/00/950288800.db2.gz SKQWBOGQNLHSQO-NWDGAFQWSA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574742583 950291850 /nfs/dbraw/zinc/29/18/50/950291850.db2.gz PMEILHJFJLRMLV-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574742583 950291868 /nfs/dbraw/zinc/29/18/68/950291868.db2.gz PMEILHJFJLRMLV-BXUZGUMPSA-N 0 3 386.460 0.113 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573851362 950293447 /nfs/dbraw/zinc/29/34/47/950293447.db2.gz WADMLUWZDLAFMM-UHFFFAOYSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccc1 ZINC001574499070 950293870 /nfs/dbraw/zinc/29/38/70/950293870.db2.gz RXNYDWHZMGLWDQ-GDBMZVCRSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cccc1 ZINC001574499070 950293887 /nfs/dbraw/zinc/29/38/87/950293887.db2.gz RXNYDWHZMGLWDQ-GDBMZVCRSA-N 0 3 383.456 0.886 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccn1 ZINC001574499155 950294676 /nfs/dbraw/zinc/29/46/76/950294676.db2.gz SIQAPBQRCIYYTN-CJNGLKHVSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC001574499155 950294689 /nfs/dbraw/zinc/29/46/89/950294689.db2.gz SIQAPBQRCIYYTN-CJNGLKHVSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574742585 950295250 /nfs/dbraw/zinc/29/52/50/950295250.db2.gz PMEILHJFJLRMLV-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574742585 950295263 /nfs/dbraw/zinc/29/52/63/950295263.db2.gz PMEILHJFJLRMLV-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCNC(N)=O ZINC001575905741 950299987 /nfs/dbraw/zinc/29/99/87/950299987.db2.gz DYODNQNZYQBBHW-HZMBPMFUSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCNC(N)=O ZINC001575905741 950300008 /nfs/dbraw/zinc/30/00/08/950300008.db2.gz DYODNQNZYQBBHW-HZMBPMFUSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576193450 950300292 /nfs/dbraw/zinc/30/02/92/950300292.db2.gz VCBOSCGPPKYHOF-YPMHNXCESA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCC1)NC(N)=O ZINC001574500247 950307108 /nfs/dbraw/zinc/30/71/08/950307108.db2.gz YOZOLDHNEMWIAK-LBPRGKRZSA-N 0 3 386.460 0.442 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)C1 ZINC001576194229 950330669 /nfs/dbraw/zinc/33/06/69/950330669.db2.gz XXHXMRGIEZWENF-SWLSCSKDSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)C1 ZINC001576194229 950330692 /nfs/dbraw/zinc/33/06/92/950330692.db2.gz XXHXMRGIEZWENF-SWLSCSKDSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001574988293 950331366 /nfs/dbraw/zinc/33/13/66/950331366.db2.gz QHQDGBBSUOHBMC-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001574988293 950331386 /nfs/dbraw/zinc/33/13/86/950331386.db2.gz QHQDGBBSUOHBMC-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575907806 950343207 /nfs/dbraw/zinc/34/32/07/950343207.db2.gz QYDLTBSBTZNCQT-NHYWBVRUSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575907806 950343226 /nfs/dbraw/zinc/34/32/26/950343226.db2.gz QYDLTBSBTZNCQT-NHYWBVRUSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cnn(C)n1 ZINC001575907981 950345894 /nfs/dbraw/zinc/34/58/94/950345894.db2.gz SEIVPSMXLDKIOJ-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576196198 950352876 /nfs/dbraw/zinc/35/28/76/950352876.db2.gz AFRMPAKWOBUVSY-UONOGXRCSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576196198 950352896 /nfs/dbraw/zinc/35/28/96/950352896.db2.gz AFRMPAKWOBUVSY-UONOGXRCSA-N 0 3 385.476 0.792 20 0 GCADHN CC(C)(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001573855145 950358187 /nfs/dbraw/zinc/35/81/87/950358187.db2.gz JSSUBMIPEYBVQY-WDMOLILDSA-N 0 3 386.460 0.445 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001576196426 950358388 /nfs/dbraw/zinc/35/83/88/950358388.db2.gz DGVWRNCFBMTHNV-CABCVRRESA-N 0 3 384.488 0.888 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001576196426 950358407 /nfs/dbraw/zinc/35/84/07/950358407.db2.gz DGVWRNCFBMTHNV-CABCVRRESA-N 0 3 384.488 0.888 20 0 GCADHN C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196284 950358653 /nfs/dbraw/zinc/35/86/53/950358653.db2.gz CGAOPXTUJSGEFB-ZIAGYGMSSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1cncn1 ZINC001575908267 950359664 /nfs/dbraw/zinc/35/96/64/950359664.db2.gz TWRVHXAAVJJYNA-XHDPSFHLSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1cncn1 ZINC001575908267 950359685 /nfs/dbraw/zinc/35/96/85/950359685.db2.gz TWRVHXAAVJJYNA-XHDPSFHLSA-N 0 3 385.407 0.377 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)CC(F)(F)F ZINC001574744769 950364313 /nfs/dbraw/zinc/36/43/13/950364313.db2.gz AVDKAWNRHIDYKA-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)CC(F)(F)F ZINC001574744769 950364335 /nfs/dbraw/zinc/36/43/35/950364335.db2.gz AVDKAWNRHIDYKA-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)Cn1ccnc1 ZINC001575908588 950370638 /nfs/dbraw/zinc/37/06/38/950370638.db2.gz VOTAGXNWVMMFEG-BLLLJJGKSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)Cn1ccnc1 ZINC001575908588 950370657 /nfs/dbraw/zinc/37/06/57/950370657.db2.gz VOTAGXNWVMMFEG-BLLLJJGKSA-N 0 3 384.419 0.982 20 0 GCADHN CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574745715 950387330 /nfs/dbraw/zinc/38/73/30/950387330.db2.gz JSFWVABJRBGYDS-NWDGAFQWSA-N 0 3 376.465 0.500 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH+]1CCCC1 ZINC001574990959 950387820 /nfs/dbraw/zinc/38/78/20/950387820.db2.gz GSJPRHFWBFTOCG-IUODEOHRSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCC1 ZINC001574990959 950387838 /nfs/dbraw/zinc/38/78/38/950387838.db2.gz GSJPRHFWBFTOCG-IUODEOHRSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[NH+]1CCC(C(=O)N[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574991145 950388552 /nfs/dbraw/zinc/38/85/52/950388552.db2.gz HOFCHSHRMYMDQJ-GFCCVEGCSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[NH+]1CCC(C(=O)N[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574991145 950388571 /nfs/dbraw/zinc/38/85/71/950388571.db2.gz HOFCHSHRMYMDQJ-GFCCVEGCSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)Cc1cncn1C ZINC001575909510 950394873 /nfs/dbraw/zinc/39/48/73/950394873.db2.gz GVXXKKQXXHZDMV-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)Cc1cncn1C ZINC001575909510 950394895 /nfs/dbraw/zinc/39/48/95/950394895.db2.gz GVXXKKQXXHZDMV-SUMWQHHRSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574746821 950399157 /nfs/dbraw/zinc/39/91/57/950399157.db2.gz PYGSGTBMCSARLZ-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574746821 950399177 /nfs/dbraw/zinc/39/91/77/950399177.db2.gz PYGSGTBMCSARLZ-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001576198081 950402944 /nfs/dbraw/zinc/40/29/44/950402944.db2.gz RWYAMQDQAIQEEV-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001576198081 950402956 /nfs/dbraw/zinc/40/29/56/950402956.db2.gz RWYAMQDQAIQEEV-NEPJUHHUSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001576198082 950403312 /nfs/dbraw/zinc/40/33/12/950403312.db2.gz RWYAMQDQAIQEEV-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001576198082 950403326 /nfs/dbraw/zinc/40/33/26/950403326.db2.gz RWYAMQDQAIQEEV-NWDGAFQWSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)C1=COCCO1 ZINC001575909602 950405866 /nfs/dbraw/zinc/40/58/66/950405866.db2.gz ZJVJXVCFVKWEAH-XHDPSFHLSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)C1=COCCO1 ZINC001575909602 950405881 /nfs/dbraw/zinc/40/58/81/950405881.db2.gz ZJVJXVCFVKWEAH-XHDPSFHLSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cncn1 ZINC001575909927 950408643 /nfs/dbraw/zinc/40/86/43/950408643.db2.gz JDWKACWFAYASLW-XJKSGUPXSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cncn1 ZINC001575909927 950408654 /nfs/dbraw/zinc/40/86/54/950408654.db2.gz JDWKACWFAYASLW-XJKSGUPXSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575910121 950413343 /nfs/dbraw/zinc/41/33/43/950413343.db2.gz JZUHJJLERMEKPR-RISCZKNCSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575910121 950413356 /nfs/dbraw/zinc/41/33/56/950413356.db2.gz JZUHJJLERMEKPR-RISCZKNCSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576199298 950426749 /nfs/dbraw/zinc/42/67/49/950426749.db2.gz YGWIQLAPFHPXRF-UONOGXRCSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574506091 950427324 /nfs/dbraw/zinc/42/73/24/950427324.db2.gz BEMQHKAETYSOJV-KYOSRNDESA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574506091 950427337 /nfs/dbraw/zinc/42/73/37/950427337.db2.gz BEMQHKAETYSOJV-KYOSRNDESA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574506090 950427590 /nfs/dbraw/zinc/42/75/90/950427590.db2.gz BEMQHKAETYSOJV-CORIIIEPSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574506090 950427602 /nfs/dbraw/zinc/42/76/02/950427602.db2.gz BEMQHKAETYSOJV-CORIIIEPSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574506127 950427777 /nfs/dbraw/zinc/42/77/77/950427777.db2.gz BPCWDLOXGQJICU-BZPMIXESSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574506127 950427787 /nfs/dbraw/zinc/42/77/87/950427787.db2.gz BPCWDLOXGQJICU-BZPMIXESSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574750796 950443939 /nfs/dbraw/zinc/44/39/39/950443939.db2.gz ICPZVGLGPKYVDK-DGCLKSJQSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001574750796 950443951 /nfs/dbraw/zinc/44/39/51/950443951.db2.gz ICPZVGLGPKYVDK-DGCLKSJQSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574750795 950445862 /nfs/dbraw/zinc/44/58/62/950445862.db2.gz ICPZVGLGPKYVDK-AAEUAGOBSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574750795 950445881 /nfs/dbraw/zinc/44/58/81/950445881.db2.gz ICPZVGLGPKYVDK-AAEUAGOBSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576203277 950446127 /nfs/dbraw/zinc/44/61/27/950446127.db2.gz GEWBJTXWQIRJCS-XIKOKIGWSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576203277 950446137 /nfs/dbraw/zinc/44/61/37/950446137.db2.gz GEWBJTXWQIRJCS-XIKOKIGWSA-N 0 3 385.476 0.695 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575911626 950446726 /nfs/dbraw/zinc/44/67/26/950446726.db2.gz OUJRCPDCUDNJCW-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575911626 950446736 /nfs/dbraw/zinc/44/67/36/950446736.db2.gz OUJRCPDCUDNJCW-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C12CCC[NH+]1CCC2 ZINC001574750905 950447630 /nfs/dbraw/zinc/44/76/30/950447630.db2.gz IZXRMDCEPQGFTA-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCn1ccnn1 ZINC001575911669 950449944 /nfs/dbraw/zinc/44/99/44/950449944.db2.gz OYUSAPFRZDQEFW-CZUORRHYSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCn1ccnn1 ZINC001575911669 950449958 /nfs/dbraw/zinc/44/99/58/950449958.db2.gz OYUSAPFRZDQEFW-CZUORRHYSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCn1ccnn1 ZINC001575911671 950450176 /nfs/dbraw/zinc/45/01/76/950450176.db2.gz OYUSAPFRZDQEFW-XJKSGUPXSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCn1ccnn1 ZINC001575911671 950450186 /nfs/dbraw/zinc/45/01/86/950450186.db2.gz OYUSAPFRZDQEFW-XJKSGUPXSA-N 0 3 381.444 0.628 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574752135 950473507 /nfs/dbraw/zinc/47/35/07/950473507.db2.gz UDJHOXDQCLPKNV-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574752135 950473520 /nfs/dbraw/zinc/47/35/20/950473520.db2.gz UDJHOXDQCLPKNV-WFASDCNBSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC001574994302 950474375 /nfs/dbraw/zinc/47/43/75/950474375.db2.gz QEAUVVMVDFITHP-PSLIRLAXSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC001574994302 950474387 /nfs/dbraw/zinc/47/43/87/950474387.db2.gz QEAUVVMVDFITHP-PSLIRLAXSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC001574994312 950475172 /nfs/dbraw/zinc/47/51/72/950475172.db2.gz QEAUVVMVDFITHP-VFZGTOFNSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC001574994312 950475179 /nfs/dbraw/zinc/47/51/79/950475179.db2.gz QEAUVVMVDFITHP-VFZGTOFNSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576204952 950486816 /nfs/dbraw/zinc/48/68/16/950486816.db2.gz SRADCVPMWYDUJZ-ZIAGYGMSSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576204952 950486827 /nfs/dbraw/zinc/48/68/27/950486827.db2.gz SRADCVPMWYDUJZ-ZIAGYGMSSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc[n+]([O-])cc1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574752655 950494253 /nfs/dbraw/zinc/49/42/53/950494253.db2.gz ZCZMPZGHDWVXEJ-LBPRGKRZSA-N 0 3 385.403 0.890 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc[n+]([O-])cc1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574752655 950494265 /nfs/dbraw/zinc/49/42/65/950494265.db2.gz ZCZMPZGHDWVXEJ-LBPRGKRZSA-N 0 3 385.403 0.890 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575914577 950494907 /nfs/dbraw/zinc/49/49/07/950494907.db2.gz VDVQJJVQVNQYCT-RISCZKNCSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575914577 950494914 /nfs/dbraw/zinc/49/49/14/950494914.db2.gz VDVQJJVQVNQYCT-RISCZKNCSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575914571 950495479 /nfs/dbraw/zinc/49/54/79/950495479.db2.gz VDVQJJVQVNQYCT-FZMZJTMJSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575914571 950495487 /nfs/dbraw/zinc/49/54/87/950495487.db2.gz VDVQJJVQVNQYCT-FZMZJTMJSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CN1CCOCC1 ZINC001575914742 950499463 /nfs/dbraw/zinc/49/94/63/950499463.db2.gz VURIENPSAOSUEJ-WMLDXEAASA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CN1CCOCC1 ZINC001575914742 950499471 /nfs/dbraw/zinc/49/94/71/950499471.db2.gz VURIENPSAOSUEJ-WMLDXEAASA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574509262 950504453 /nfs/dbraw/zinc/50/44/53/950504453.db2.gz UVDYKQUPIXLDOC-ZJUUUORDSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574509262 950504474 /nfs/dbraw/zinc/50/44/74/950504474.db2.gz UVDYKQUPIXLDOC-ZJUUUORDSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574752918 950504695 /nfs/dbraw/zinc/50/46/95/950504695.db2.gz GDNCWVPXPIPZDD-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576205270 950509971 /nfs/dbraw/zinc/50/99/71/950509971.db2.gz IDZZZYSEHPJXQS-UONOGXRCSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576205270 950509987 /nfs/dbraw/zinc/50/99/87/950509987.db2.gz IDZZZYSEHPJXQS-UONOGXRCSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574999082 950568596 /nfs/dbraw/zinc/56/85/96/950568596.db2.gz FYPZJQOAUVVPNC-JTQLQIEISA-N 0 3 385.453 0.935 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574999082 950568617 /nfs/dbraw/zinc/56/86/17/950568617.db2.gz FYPZJQOAUVVPNC-JTQLQIEISA-N 0 3 385.453 0.935 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@H](C)NC(N)=O ZINC001574512823 950584257 /nfs/dbraw/zinc/58/42/57/950584257.db2.gz DJBAFMAZVIDPQF-VHSXEESVSA-N 0 3 378.412 0.047 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001574756327 950602554 /nfs/dbraw/zinc/60/25/54/950602554.db2.gz ZAHZZIMOJWSHSA-ZFWWWQNUSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001574756327 950602560 /nfs/dbraw/zinc/60/25/60/950602560.db2.gz ZAHZZIMOJWSHSA-ZFWWWQNUSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575001124 950623206 /nfs/dbraw/zinc/62/32/06/950623206.db2.gz SSISLBDVCOVDOU-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575001124 950623214 /nfs/dbraw/zinc/62/32/14/950623214.db2.gz SSISLBDVCOVDOU-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574759280 950636125 /nfs/dbraw/zinc/63/61/25/950636125.db2.gz MIPWDPJUAJEIET-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574760321 950665592 /nfs/dbraw/zinc/66/55/92/950665592.db2.gz VRVHHLSWKHUTML-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574760321 950665608 /nfs/dbraw/zinc/66/56/08/950665608.db2.gz VRVHHLSWKHUTML-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575005474 950683828 /nfs/dbraw/zinc/68/38/28/950683828.db2.gz FXUAAAFSSGMMNR-JTQLQIEISA-N 0 3 386.391 0.503 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575005474 950683853 /nfs/dbraw/zinc/68/38/53/950683853.db2.gz FXUAAAFSSGMMNR-JTQLQIEISA-N 0 3 386.391 0.503 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575005609 950695151 /nfs/dbraw/zinc/69/51/51/950695151.db2.gz IVVKEQKVECDDNK-LBPRGKRZSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575005609 950695167 /nfs/dbraw/zinc/69/51/67/950695167.db2.gz IVVKEQKVECDDNK-LBPRGKRZSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574519905 950702688 /nfs/dbraw/zinc/70/26/88/950702688.db2.gz JTMZJORKRAXUIM-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574519905 950702697 /nfs/dbraw/zinc/70/26/97/950702697.db2.gz JTMZJORKRAXUIM-NWDGAFQWSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008242 950742503 /nfs/dbraw/zinc/74/25/03/950742503.db2.gz CWPXTHHDRQIQHZ-SWLSCSKDSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008242 950742526 /nfs/dbraw/zinc/74/25/26/950742526.db2.gz CWPXTHHDRQIQHZ-SWLSCSKDSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CN1CCOCC1 ZINC001574520898 950757047 /nfs/dbraw/zinc/75/70/47/950757047.db2.gz AWLRSOXGXIDJEY-HUUCEWRRSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CN1CCOCC1 ZINC001574520898 950757081 /nfs/dbraw/zinc/75/70/81/950757081.db2.gz AWLRSOXGXIDJEY-HUUCEWRRSA-N 0 3 387.488 0.572 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1ncnn1)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574520929 950758398 /nfs/dbraw/zinc/75/83/98/950758398.db2.gz BFEBHGWDGXQWTM-MNOVXSKESA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574520985 950760675 /nfs/dbraw/zinc/76/06/75/950760675.db2.gz CAQICTIHMCMDQL-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574520985 950760692 /nfs/dbraw/zinc/76/06/92/950760692.db2.gz CAQICTIHMCMDQL-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)CCNC(N)=O ZINC001574520986 950760991 /nfs/dbraw/zinc/76/09/91/950760991.db2.gz CAQICTIHMCMDQL-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)CCNC(N)=O ZINC001574520986 950761004 /nfs/dbraw/zinc/76/10/04/950761004.db2.gz CAQICTIHMCMDQL-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001575008879 950762053 /nfs/dbraw/zinc/76/20/53/950762053.db2.gz JOSGDEAGCMIFRU-MNOVXSKESA-N 0 3 376.465 0.454 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574521057 950765394 /nfs/dbraw/zinc/76/53/94/950765394.db2.gz CSEZSAUYLDQVAI-NWDGAFQWSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574521057 950765410 /nfs/dbraw/zinc/76/54/10/950765410.db2.gz CSEZSAUYLDQVAI-NWDGAFQWSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001575008984 950765820 /nfs/dbraw/zinc/76/58/20/950765820.db2.gz LOSYBBFEADUWCS-RISCZKNCSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)c1nccnc1N)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574764976 950768094 /nfs/dbraw/zinc/76/80/94/950768094.db2.gz AYDUSUBOIZSRAT-JTQLQIEISA-N 0 3 385.407 0.628 20 0 GCADHN C[C@@H](CN(C)C(=O)c1nccnc1N)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574764976 950768109 /nfs/dbraw/zinc/76/81/09/950768109.db2.gz AYDUSUBOIZSRAT-JTQLQIEISA-N 0 3 385.407 0.628 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCn1cnnn1 ZINC001574521213 950771038 /nfs/dbraw/zinc/77/10/38/950771038.db2.gz DDXAKEDYKGXFAR-QWHCGFSZSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCn1cnnn1 ZINC001574521213 950771058 /nfs/dbraw/zinc/77/10/58/950771058.db2.gz DDXAKEDYKGXFAR-QWHCGFSZSA-N 0 3 384.448 0.316 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001575009221 950778847 /nfs/dbraw/zinc/77/88/47/950778847.db2.gz PZSNFHCLGUMIHA-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)CCNC(N)=O ZINC001574522124 950789259 /nfs/dbraw/zinc/78/92/59/950789259.db2.gz IJFJEPCOAJDEOC-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)CCNC(N)=O ZINC001574522124 950789281 /nfs/dbraw/zinc/78/92/81/950789281.db2.gz IJFJEPCOAJDEOC-GHMZBOCLSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523149 950806311 /nfs/dbraw/zinc/80/63/11/950806311.db2.gz MIRYCNAGEYJQCL-VXGBXAGGSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523149 950806332 /nfs/dbraw/zinc/80/63/32/950806332.db2.gz MIRYCNAGEYJQCL-VXGBXAGGSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CNC(=O)C1CC1 ZINC001574523446 950814697 /nfs/dbraw/zinc/81/46/97/950814697.db2.gz NSCYISVFUHJUIJ-CHWSQXEVSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CNC(=O)C1CC1 ZINC001574523446 950814729 /nfs/dbraw/zinc/81/47/29/950814729.db2.gz NSCYISVFUHJUIJ-CHWSQXEVSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC001575010853 950836649 /nfs/dbraw/zinc/83/66/49/950836649.db2.gz JTLSAIWYOQYQIU-IUCAKERBSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC001575010853 950836671 /nfs/dbraw/zinc/83/66/71/950836671.db2.gz JTLSAIWYOQYQIU-IUCAKERBSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574524109 950847018 /nfs/dbraw/zinc/84/70/18/950847018.db2.gz TXBDNYBWRSWPJH-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574524109 950847037 /nfs/dbraw/zinc/84/70/37/950847037.db2.gz TXBDNYBWRSWPJH-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CN1CCCC1=O ZINC001574524870 950875595 /nfs/dbraw/zinc/87/55/95/950875595.db2.gz ZVVAZPIINIYFCM-UONOGXRCSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CN1CCCC1=O ZINC001574524870 950875609 /nfs/dbraw/zinc/87/56/09/950875609.db2.gz ZVVAZPIINIYFCM-UONOGXRCSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527387 950883845 /nfs/dbraw/zinc/88/38/45/950883845.db2.gz BCKAHCSCMIUDRY-RYUDHWBXSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527387 950883861 /nfs/dbraw/zinc/88/38/61/950883861.db2.gz BCKAHCSCMIUDRY-RYUDHWBXSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)CCNC(=O)NC(C)(C)C ZINC001575012567 950890333 /nfs/dbraw/zinc/89/03/33/950890333.db2.gz ZUFDAOXRBDYWGB-LLVKDONJSA-N 0 3 391.480 0.343 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]CCCN1CCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527771 950904290 /nfs/dbraw/zinc/90/42/90/950904290.db2.gz GXJNKCHBLLVMAA-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]CCCN1CCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527771 950904300 /nfs/dbraw/zinc/90/43/00/950904300.db2.gz GXJNKCHBLLVMAA-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)c1cnn(C)n1 ZINC001574527920 950912926 /nfs/dbraw/zinc/91/29/26/950912926.db2.gz IOYWXZZERQWNFM-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)c1cnn(C)n1 ZINC001574527920 950912943 /nfs/dbraw/zinc/91/29/43/950912943.db2.gz IOYWXZZERQWNFM-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)c1cnn(C)n1 ZINC001574527922 950914406 /nfs/dbraw/zinc/91/44/06/950914406.db2.gz IOYWXZZERQWNFM-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)c1cnn(C)n1 ZINC001574527922 950914415 /nfs/dbraw/zinc/91/44/15/950914415.db2.gz IOYWXZZERQWNFM-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576228084 950930369 /nfs/dbraw/zinc/93/03/69/950930369.db2.gz IUNUAYVFQFIPBZ-XHDPSFHLSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576228084 950930387 /nfs/dbraw/zinc/93/03/87/950930387.db2.gz IUNUAYVFQFIPBZ-XHDPSFHLSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)CCNC(=O)NC(C)(C)C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574772124 950958287 /nfs/dbraw/zinc/95/82/87/950958287.db2.gz PRYRNOYZOSJADJ-LLVKDONJSA-N 0 3 391.480 0.343 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574529865 950963387 /nfs/dbraw/zinc/96/33/87/950963387.db2.gz ATIDYDDQJZGJOS-NWDGAFQWSA-N 0 3 382.428 0.637 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574529865 950963405 /nfs/dbraw/zinc/96/34/05/950963405.db2.gz ATIDYDDQJZGJOS-NWDGAFQWSA-N 0 3 382.428 0.637 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)COc1ccccc1 ZINC001575017088 950976107 /nfs/dbraw/zinc/97/61/07/950976107.db2.gz HEZPXSOXAMQVJE-STQMWFEESA-N 0 3 385.428 0.343 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)COc1ccccc1 ZINC001575017086 950976938 /nfs/dbraw/zinc/97/69/38/950976938.db2.gz HEZPXSOXAMQVJE-OLZOCXBDSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)c1cn(C)nn1 ZINC001574530858 950999160 /nfs/dbraw/zinc/99/91/60/950999160.db2.gz YBUDQDRKHHATHE-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)c1cn(C)nn1 ZINC001574530858 950999180 /nfs/dbraw/zinc/99/91/80/950999180.db2.gz YBUDQDRKHHATHE-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001575018992 951028969 /nfs/dbraw/zinc/02/89/69/951028969.db2.gz SDAHKXZEBNOBHS-UKRRQHHQSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001575018992 951028984 /nfs/dbraw/zinc/02/89/84/951028984.db2.gz SDAHKXZEBNOBHS-UKRRQHHQSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575019248 951034253 /nfs/dbraw/zinc/03/42/53/951034253.db2.gz SBVMGWRHRGMHFN-LBPRGKRZSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575019248 951034264 /nfs/dbraw/zinc/03/42/64/951034264.db2.gz SBVMGWRHRGMHFN-LBPRGKRZSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575021209 951061396 /nfs/dbraw/zinc/06/13/96/951061396.db2.gz BQMAYWYEAZJDOR-SECBINFHSA-N 0 3 387.375 0.606 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575022823 951072172 /nfs/dbraw/zinc/07/21/72/951072172.db2.gz KDCKEFJKSLSKMT-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575022823 951072185 /nfs/dbraw/zinc/07/21/85/951072185.db2.gz KDCKEFJKSLSKMT-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575024143 951091692 /nfs/dbraw/zinc/09/16/92/951091692.db2.gz WFDIAQQMJDVBHJ-JTQLQIEISA-N 0 3 385.453 0.935 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575024143 951091705 /nfs/dbraw/zinc/09/17/05/951091705.db2.gz WFDIAQQMJDVBHJ-JTQLQIEISA-N 0 3 385.453 0.935 20 0 GCADHN C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025816 951133686 /nfs/dbraw/zinc/13/36/86/951133686.db2.gz BFBRRXDYZBGMSN-GFCCVEGCSA-N 0 3 381.444 0.949 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575025855 951136667 /nfs/dbraw/zinc/13/66/67/951136667.db2.gz CGBKAOMPNMBIHS-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575029042 951181973 /nfs/dbraw/zinc/18/19/73/951181973.db2.gz YSBHMDFXARGKPS-LBPRGKRZSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575029042 951181978 /nfs/dbraw/zinc/18/19/78/951181978.db2.gz YSBHMDFXARGKPS-LBPRGKRZSA-N 0 3 379.424 0.874 20 0 GCADHN C[C@H](CNC(=O)c1cccn(C)c1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575031784 951203672 /nfs/dbraw/zinc/20/36/72/951203672.db2.gz IRLPJKZCMWFCFC-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1cccn(C)c1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575031784 951203676 /nfs/dbraw/zinc/20/36/76/951203676.db2.gz IRLPJKZCMWFCFC-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1cccn(C)c1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575031784 951203681 /nfs/dbraw/zinc/20/36/81/951203681.db2.gz IRLPJKZCMWFCFC-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1cccn(C)c1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575031784 951203693 /nfs/dbraw/zinc/20/36/93/951203693.db2.gz IRLPJKZCMWFCFC-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575034776 951257364 /nfs/dbraw/zinc/25/73/64/951257364.db2.gz DJMCHSFBPIFRDO-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575035805 951282003 /nfs/dbraw/zinc/28/20/03/951282003.db2.gz LYQLIHNYWTYALQ-NSHDSACASA-N 0 3 392.423 0.664 20 0 GCADHN C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575035805 951282009 /nfs/dbraw/zinc/28/20/09/951282009.db2.gz LYQLIHNYWTYALQ-NSHDSACASA-N 0 3 392.423 0.664 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575042180 951355870 /nfs/dbraw/zinc/35/58/70/951355870.db2.gz GVXUHZLGABKZGK-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575042180 951355887 /nfs/dbraw/zinc/35/58/87/951355887.db2.gz GVXUHZLGABKZGK-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575046711 951446455 /nfs/dbraw/zinc/44/64/55/951446455.db2.gz RHQLBYBLTNBKAK-GFCCVEGCSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575046711 951446462 /nfs/dbraw/zinc/44/64/62/951446462.db2.gz RHQLBYBLTNBKAK-GFCCVEGCSA-N 0 3 382.428 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575055456 951505781 /nfs/dbraw/zinc/50/57/81/951505781.db2.gz UTLHRIHQJWWKIZ-LBPRGKRZSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575055456 951505786 /nfs/dbraw/zinc/50/57/86/951505786.db2.gz UTLHRIHQJWWKIZ-LBPRGKRZSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575057836 951529292 /nfs/dbraw/zinc/52/92/92/951529292.db2.gz REFSPXFAVBORJJ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575057836 951529305 /nfs/dbraw/zinc/52/93/05/951529305.db2.gz REFSPXFAVBORJJ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575057836 951529316 /nfs/dbraw/zinc/52/93/16/951529316.db2.gz REFSPXFAVBORJJ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575057836 951529325 /nfs/dbraw/zinc/52/93/25/951529325.db2.gz REFSPXFAVBORJJ-NSHDSACASA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001575068541 951633923 /nfs/dbraw/zinc/63/39/23/951633923.db2.gz AISSVSGOMKFYIJ-OLZOCXBDSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575068547 951634896 /nfs/dbraw/zinc/63/48/96/951634896.db2.gz AKPMGLDSHYJINA-DGCLKSJQSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001575068886 951637882 /nfs/dbraw/zinc/63/78/82/951637882.db2.gz DMABJAVVIAUXEQ-STQMWFEESA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001575068886 951637887 /nfs/dbraw/zinc/63/78/87/951637887.db2.gz DMABJAVVIAUXEQ-STQMWFEESA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001575069655 951645011 /nfs/dbraw/zinc/64/50/11/951645011.db2.gz LKGNNYOWGYRNMU-CHWSQXEVSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001575069655 951645014 /nfs/dbraw/zinc/64/50/14/951645014.db2.gz LKGNNYOWGYRNMU-CHWSQXEVSA-N 0 3 388.476 0.409 20 0 GCADHN CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575069560 951645809 /nfs/dbraw/zinc/64/58/09/951645809.db2.gz KKICANZUCWGGLJ-VXGBXAGGSA-N 0 3 376.465 0.311 20 0 GCADHN CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575069560 951645813 /nfs/dbraw/zinc/64/58/13/951645813.db2.gz KKICANZUCWGGLJ-VXGBXAGGSA-N 0 3 376.465 0.311 20 0 GCADHN C[C@H](C[NH2+][C@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575069872 951646922 /nfs/dbraw/zinc/64/69/22/951646922.db2.gz MPLFBFRNKYUCLX-YPMHNXCESA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](C[NH2+][C@@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575070202 951650488 /nfs/dbraw/zinc/65/04/88/951650488.db2.gz PERHEXPYVSSKSN-SMDDNHRTSA-N 0 3 386.460 0.398 20 0 GCADHN CC(C)[C@H](C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575071026 951655938 /nfs/dbraw/zinc/65/59/38/951655938.db2.gz XFIOHLAEYHCBDI-NEPJUHHUSA-N 0 3 376.465 0.311 20 0 GCADHN C[C@H](C[NH2+][C@H]1CCN(C(C)(C)C)C1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575071234 951657531 /nfs/dbraw/zinc/65/75/31/951657531.db2.gz YUPYFESBTZLRBV-YPMHNXCESA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077118 951662006 /nfs/dbraw/zinc/66/20/06/951662006.db2.gz CNMLIJGHUWKZEZ-QMTHXVAHSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077118 951662011 /nfs/dbraw/zinc/66/20/11/951662011.db2.gz CNMLIJGHUWKZEZ-QMTHXVAHSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077194 951663584 /nfs/dbraw/zinc/66/35/84/951663584.db2.gz AGGUWMWMMJBKDW-CYBMUJFWSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077194 951663589 /nfs/dbraw/zinc/66/35/89/951663589.db2.gz AGGUWMWMMJBKDW-CYBMUJFWSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575077274 951665652 /nfs/dbraw/zinc/66/56/52/951665652.db2.gz BTFWFSQAAKNDFV-ABAIWWIYSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575077408 951668378 /nfs/dbraw/zinc/66/83/78/951668378.db2.gz CKYSQBRGEWUUKG-HZMBPMFUSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575077493 951669560 /nfs/dbraw/zinc/66/95/60/951669560.db2.gz FJTSVJWDMTTWMA-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077457 951670052 /nfs/dbraw/zinc/67/00/52/951670052.db2.gz DHRJMKKYRAGESL-VXGBXAGGSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077457 951670057 /nfs/dbraw/zinc/67/00/57/951670057.db2.gz DHRJMKKYRAGESL-VXGBXAGGSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]Cc1cc(CO)ccc1F ZINC001575077538 951671154 /nfs/dbraw/zinc/67/11/54/951671154.db2.gz GITQADQNKZCQCM-NSHDSACASA-N 0 3 387.419 0.982 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077581 951671345 /nfs/dbraw/zinc/67/13/45/951671345.db2.gz GXVJNYHEXGXURK-RYUDHWBXSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077581 951671352 /nfs/dbraw/zinc/67/13/52/951671352.db2.gz GXVJNYHEXGXURK-RYUDHWBXSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575077825 951674509 /nfs/dbraw/zinc/67/45/09/951674509.db2.gz IEMWDHJTGGYODW-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077950 951675641 /nfs/dbraw/zinc/67/56/41/951675641.db2.gz IMOWRYGLJIYFLK-NWDGAFQWSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CCOCC(F)(F)F ZINC001575078001 951675724 /nfs/dbraw/zinc/67/57/24/951675724.db2.gz JADKYDFNCZOSGN-SECBINFHSA-N 0 3 375.355 0.729 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CCOCC(F)(F)F ZINC001575078001 951675731 /nfs/dbraw/zinc/67/57/31/951675731.db2.gz JADKYDFNCZOSGN-SECBINFHSA-N 0 3 375.355 0.729 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077952 951675843 /nfs/dbraw/zinc/67/58/43/951675843.db2.gz IMOWRYGLJIYFLK-RYUDHWBXSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575078212 951679123 /nfs/dbraw/zinc/67/91/23/951679123.db2.gz JSPXXLRRPLKLNT-WFASDCNBSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575078186 951679949 /nfs/dbraw/zinc/67/99/49/951679949.db2.gz JPTWSPIAOZCUMK-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078417 951680876 /nfs/dbraw/zinc/68/08/76/951680876.db2.gz LKBYSKKIZBUPNE-VXGBXAGGSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078417 951680880 /nfs/dbraw/zinc/68/08/80/951680880.db2.gz LKBYSKKIZBUPNE-VXGBXAGGSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078408 951680967 /nfs/dbraw/zinc/68/09/67/951680967.db2.gz LJFJSHMQOOWRBK-LLVKDONJSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078408 951680972 /nfs/dbraw/zinc/68/09/72/951680972.db2.gz LJFJSHMQOOWRBK-LLVKDONJSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078518 951682693 /nfs/dbraw/zinc/68/26/93/951682693.db2.gz MTBZDHBVWOWLCW-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078518 951682697 /nfs/dbraw/zinc/68/26/97/951682697.db2.gz MTBZDHBVWOWLCW-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079263 951689350 /nfs/dbraw/zinc/68/93/50/951689350.db2.gz MVWXIXGITYQAHE-WDEREUQCSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079263 951689355 /nfs/dbraw/zinc/68/93/55/951689355.db2.gz MVWXIXGITYQAHE-WDEREUQCSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079389 951690755 /nfs/dbraw/zinc/69/07/55/951690755.db2.gz DMEQDMSVGQDFPK-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079389 951690761 /nfs/dbraw/zinc/69/07/61/951690761.db2.gz DMEQDMSVGQDFPK-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079383 951690801 /nfs/dbraw/zinc/69/08/01/951690801.db2.gz DFRXXQZSZOUPEN-YPMHNXCESA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079383 951690806 /nfs/dbraw/zinc/69/08/06/951690806.db2.gz DFRXXQZSZOUPEN-YPMHNXCESA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CNC(=O)C1CC1 ZINC001575079524 951693281 /nfs/dbraw/zinc/69/32/81/951693281.db2.gz QLDYAOFAOKJCOZ-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079891 951699393 /nfs/dbraw/zinc/69/93/93/951699393.db2.gz SKGPDRCQASMCCR-DIFFPNOSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079891 951699397 /nfs/dbraw/zinc/69/93/97/951699397.db2.gz SKGPDRCQASMCCR-DIFFPNOSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)n1cncn1 ZINC001575079927 951699437 /nfs/dbraw/zinc/69/94/37/951699437.db2.gz SZWWMEKUKZIGBC-VXGBXAGGSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)n1cncn1 ZINC001575079927 951699441 /nfs/dbraw/zinc/69/94/41/951699441.db2.gz SZWWMEKUKZIGBC-VXGBXAGGSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079890 951699677 /nfs/dbraw/zinc/69/96/77/951699677.db2.gz SKGPDRCQASMCCR-APPDUMDISA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079890 951699681 /nfs/dbraw/zinc/69/96/81/951699681.db2.gz SKGPDRCQASMCCR-APPDUMDISA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080054 951702928 /nfs/dbraw/zinc/70/29/28/951702928.db2.gz JXLMSDSJPOTWOY-JTQLQIEISA-N 0 3 387.423 0.477 20 0 GCADHN C[C@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080054 951702936 /nfs/dbraw/zinc/70/29/36/951702936.db2.gz JXLMSDSJPOTWOY-JTQLQIEISA-N 0 3 387.423 0.477 20 0 GCADHN C[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575080269 951708123 /nfs/dbraw/zinc/70/81/23/951708123.db2.gz QSOLXPQOCVPIFW-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575080269 951708139 /nfs/dbraw/zinc/70/81/39/951708139.db2.gz QSOLXPQOCVPIFW-PSASIEDQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575080389 951708783 /nfs/dbraw/zinc/70/87/83/951708783.db2.gz KTPNVMQWVPNFDE-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575080389 951708787 /nfs/dbraw/zinc/70/87/87/951708787.db2.gz KTPNVMQWVPNFDE-NWDGAFQWSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080547 951712392 /nfs/dbraw/zinc/71/23/92/951712392.db2.gz YBRNBEVJKYSPIV-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)Cc1cnn(C)c1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080547 951712397 /nfs/dbraw/zinc/71/23/97/951712397.db2.gz YBRNBEVJKYSPIV-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1(C(N)=O)CC1 ZINC001575080527 951713071 /nfs/dbraw/zinc/71/30/71/951713071.db2.gz XVBLMOIEPRHIJO-SNVBAGLBSA-N 0 3 375.408 0.208 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1COCCO1 ZINC001575080801 951715800 /nfs/dbraw/zinc/71/58/00/951715800.db2.gz ZQCDLYGTHVOELM-IAQYHMDHSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575080811 951715927 /nfs/dbraw/zinc/71/59/27/951715927.db2.gz NSNQHCKVRRFBMX-NEPJUHHUSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575080811 951715937 /nfs/dbraw/zinc/71/59/37/951715937.db2.gz NSNQHCKVRRFBMX-NEPJUHHUSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081190 951719972 /nfs/dbraw/zinc/71/99/72/951719972.db2.gz PQIOQGKXOWFDOX-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081190 951719978 /nfs/dbraw/zinc/71/99/78/951719978.db2.gz PQIOQGKXOWFDOX-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081612 951723299 /nfs/dbraw/zinc/72/32/99/951723299.db2.gz QXGOFFDZNHUNHB-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081612 951723304 /nfs/dbraw/zinc/72/33/04/951723304.db2.gz QXGOFFDZNHUNHB-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081872 951728251 /nfs/dbraw/zinc/72/82/51/951728251.db2.gz SPYIGZWHXNTGMJ-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081872 951728259 /nfs/dbraw/zinc/72/82/59/951728259.db2.gz SPYIGZWHXNTGMJ-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082190 951731089 /nfs/dbraw/zinc/73/10/89/951731089.db2.gz VLGXUDSHFRFJNM-IAQYHMDHSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082190 951731098 /nfs/dbraw/zinc/73/10/98/951731098.db2.gz VLGXUDSHFRFJNM-IAQYHMDHSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082899 951738114 /nfs/dbraw/zinc/73/81/14/951738114.db2.gz ZIYHISOCMBKNDB-QWRGUYRKSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)CC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082899 951738116 /nfs/dbraw/zinc/73/81/16/951738116.db2.gz ZIYHISOCMBKNDB-QWRGUYRKSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082913 951738457 /nfs/dbraw/zinc/73/84/57/951738457.db2.gz ZLCBIOYSVDIAQS-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082913 951738462 /nfs/dbraw/zinc/73/84/62/951738462.db2.gz ZLCBIOYSVDIAQS-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)Cc1cncn1C ZINC001575088520 951739054 /nfs/dbraw/zinc/73/90/54/951739054.db2.gz ATSJYAJWUOYAQQ-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088499 951739067 /nfs/dbraw/zinc/73/90/67/951739067.db2.gz AJADDZMBWTVMTM-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088499 951739075 /nfs/dbraw/zinc/73/90/75/951739075.db2.gz AJADDZMBWTVMTM-DJJJIMSYSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)CCN1CCCC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089328 951747507 /nfs/dbraw/zinc/74/75/07/951747507.db2.gz GDOJDTAGCZGKMF-AWEZNQCLSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@H](CNC(=O)CCN1CCCC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089328 951747517 /nfs/dbraw/zinc/74/75/17/951747517.db2.gz GDOJDTAGCZGKMF-AWEZNQCLSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090195 951758336 /nfs/dbraw/zinc/75/83/36/951758336.db2.gz KARBBPAPSHMFMY-DIFFPNOSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090195 951758342 /nfs/dbraw/zinc/75/83/42/951758342.db2.gz KARBBPAPSHMFMY-DIFFPNOSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090191 951758694 /nfs/dbraw/zinc/75/86/94/951758694.db2.gz KARBBPAPSHMFMY-APPDUMDISA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090191 951758704 /nfs/dbraw/zinc/75/87/04/951758704.db2.gz KARBBPAPSHMFMY-APPDUMDISA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090516 951760591 /nfs/dbraw/zinc/76/05/91/951760591.db2.gz LKZCMHBOUWMURS-CYBMUJFWSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090516 951760598 /nfs/dbraw/zinc/76/05/98/951760598.db2.gz LKZCMHBOUWMURS-CYBMUJFWSA-N 0 3 391.451 0.180 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575090608 951761442 /nfs/dbraw/zinc/76/14/42/951761442.db2.gz KTJOJMKUIJEWNW-WQAKAFBOSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575090605 951762210 /nfs/dbraw/zinc/76/22/10/951762210.db2.gz KTJOJMKUIJEWNW-BIMULSAOSA-N 0 3 375.408 0.064 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575090674 951763339 /nfs/dbraw/zinc/76/33/39/951763339.db2.gz LCENSBJPFKXGRW-IAQYHMDHSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575090708 951763932 /nfs/dbraw/zinc/76/39/32/951763932.db2.gz LGPIXBNPLLNZJF-JSGCOSHPSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090978 951766715 /nfs/dbraw/zinc/76/67/15/951766715.db2.gz MDSKFSPRWQLHMK-LBPRGKRZSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090978 951766722 /nfs/dbraw/zinc/76/67/22/951766722.db2.gz MDSKFSPRWQLHMK-LBPRGKRZSA-N 0 3 380.474 0.143 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091052 951768584 /nfs/dbraw/zinc/76/85/84/951768584.db2.gz NDPCIQUSPZUYNX-XJKSGUPXSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091052 951768593 /nfs/dbraw/zinc/76/85/93/951768593.db2.gz NDPCIQUSPZUYNX-XJKSGUPXSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091098 951768792 /nfs/dbraw/zinc/76/87/92/951768792.db2.gz PBXIJVOPICYVMD-YGRLFVJLSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091098 951768795 /nfs/dbraw/zinc/76/87/95/951768795.db2.gz PBXIJVOPICYVMD-YGRLFVJLSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091211 951772379 /nfs/dbraw/zinc/77/23/79/951772379.db2.gz QDWWXQBBMXHEGD-XHDPSFHLSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CNC(=O)[C@H]1COCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091211 951772385 /nfs/dbraw/zinc/77/23/85/951772385.db2.gz QDWWXQBBMXHEGD-XHDPSFHLSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091430 951774901 /nfs/dbraw/zinc/77/49/01/951774901.db2.gz QZAZPWQUBTVMDO-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091430 951774909 /nfs/dbraw/zinc/77/49/09/951774909.db2.gz QZAZPWQUBTVMDO-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575091605 951780120 /nfs/dbraw/zinc/78/01/20/951780120.db2.gz SOVQHPVRJXFLRX-RDTXWAMCSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575091605 951780130 /nfs/dbraw/zinc/78/01/30/951780130.db2.gz SOVQHPVRJXFLRX-RDTXWAMCSA-N 0 3 385.428 0.350 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091712 951781557 /nfs/dbraw/zinc/78/15/57/951781557.db2.gz WNFZDDHTZOAMSA-SMDDNHRTSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091712 951781560 /nfs/dbraw/zinc/78/15/60/951781560.db2.gz WNFZDDHTZOAMSA-SMDDNHRTSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575091862 951785927 /nfs/dbraw/zinc/78/59/27/951785927.db2.gz WEYOVDBVPQLTKH-CJNGLKHVSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575091862 951785934 /nfs/dbraw/zinc/78/59/34/951785934.db2.gz WEYOVDBVPQLTKH-CJNGLKHVSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091959 951787354 /nfs/dbraw/zinc/78/73/54/951787354.db2.gz ZWMIOXBUZCVASM-RYUDHWBXSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091959 951787360 /nfs/dbraw/zinc/78/73/60/951787360.db2.gz ZWMIOXBUZCVASM-RYUDHWBXSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575092236 951790448 /nfs/dbraw/zinc/79/04/48/951790448.db2.gz BFWJAKCJWHTHQR-GFCCVEGCSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575092236 951790455 /nfs/dbraw/zinc/79/04/55/951790455.db2.gz BFWJAKCJWHTHQR-GFCCVEGCSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001575092203 951791579 /nfs/dbraw/zinc/79/15/79/951791579.db2.gz YZPLKAKRLBXFST-WBMJQRKESA-N 0 3 391.451 0.273 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001575092201 951791687 /nfs/dbraw/zinc/79/16/87/951791687.db2.gz YZPLKAKRLBXFST-MLGOLLRUSA-N 0 3 391.451 0.273 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575093349 951799046 /nfs/dbraw/zinc/79/90/46/951799046.db2.gz IBHVQJYYCZUSHW-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575093349 951799052 /nfs/dbraw/zinc/79/90/52/951799052.db2.gz IBHVQJYYCZUSHW-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575095449 951810474 /nfs/dbraw/zinc/81/04/74/951810474.db2.gz TZTAOPKJYUQVIE-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575095449 951810482 /nfs/dbraw/zinc/81/04/82/951810482.db2.gz TZTAOPKJYUQVIE-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575095958 951816616 /nfs/dbraw/zinc/81/66/16/951816616.db2.gz XRIWTJFYPMSWOV-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575095958 951816630 /nfs/dbraw/zinc/81/66/30/951816630.db2.gz XRIWTJFYPMSWOV-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575096015 951817755 /nfs/dbraw/zinc/81/77/55/951817755.db2.gz YKKLYVLOJCETPA-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575096015 951817760 /nfs/dbraw/zinc/81/77/60/951817760.db2.gz YKKLYVLOJCETPA-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101682 951862726 /nfs/dbraw/zinc/86/27/26/951862726.db2.gz IJTFRGIQJLYDJD-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101682 951862734 /nfs/dbraw/zinc/86/27/34/951862734.db2.gz IJTFRGIQJLYDJD-DGCLKSJQSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101902 951865094 /nfs/dbraw/zinc/86/50/94/951865094.db2.gz JRSXBFLLWWGPCH-SNVBAGLBSA-N 0 3 388.407 0.601 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101902 951865104 /nfs/dbraw/zinc/86/51/04/951865104.db2.gz JRSXBFLLWWGPCH-SNVBAGLBSA-N 0 3 388.407 0.601 20 0 GCADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103041 951873603 /nfs/dbraw/zinc/87/36/03/951873603.db2.gz RKNVGSRRNPRYJV-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103041 951873610 /nfs/dbraw/zinc/87/36/10/951873610.db2.gz RKNVGSRRNPRYJV-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104903 951889767 /nfs/dbraw/zinc/88/97/67/951889767.db2.gz GQRUJNNRUOMLKT-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104903 951889773 /nfs/dbraw/zinc/88/97/73/951889773.db2.gz GQRUJNNRUOMLKT-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105182 951892479 /nfs/dbraw/zinc/89/24/79/951892479.db2.gz HSTAZFZBSSUSEW-ZDUSSCGKSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105182 951892484 /nfs/dbraw/zinc/89/24/84/951892484.db2.gz HSTAZFZBSSUSEW-ZDUSSCGKSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575105451 951894650 /nfs/dbraw/zinc/89/46/50/951894650.db2.gz JVSDIZIIJKJUPN-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575105451 951894660 /nfs/dbraw/zinc/89/46/60/951894660.db2.gz JVSDIZIIJKJUPN-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575106597 951904246 /nfs/dbraw/zinc/90/42/46/951904246.db2.gz SUQLOILXQRWFBB-AAEUAGOBSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575106597 951904258 /nfs/dbraw/zinc/90/42/58/951904258.db2.gz SUQLOILXQRWFBB-AAEUAGOBSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106537 951904717 /nfs/dbraw/zinc/90/47/17/951904717.db2.gz RUMCUZXUCDFBEO-UKRRQHHQSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106537 951904735 /nfs/dbraw/zinc/90/47/35/951904735.db2.gz RUMCUZXUCDFBEO-UKRRQHHQSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575106571 951905966 /nfs/dbraw/zinc/90/59/66/951905966.db2.gz SHNUVARARXPOAE-KSSFIOAISA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575106571 951905972 /nfs/dbraw/zinc/90/59/72/951905972.db2.gz SHNUVARARXPOAE-KSSFIOAISA-N 0 3 385.428 0.350 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107157 951914633 /nfs/dbraw/zinc/91/46/33/951914633.db2.gz AFLPWTRMTJRYND-LLVKDONJSA-N 0 3 383.412 0.714 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107157 951914639 /nfs/dbraw/zinc/91/46/39/951914639.db2.gz AFLPWTRMTJRYND-LLVKDONJSA-N 0 3 383.412 0.714 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575107161 951916076 /nfs/dbraw/zinc/91/60/76/951916076.db2.gz AGPACMMAEPJIAC-DOMZBBRYSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575107161 951916085 /nfs/dbraw/zinc/91/60/85/951916085.db2.gz AGPACMMAEPJIAC-DOMZBBRYSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575109582 951931931 /nfs/dbraw/zinc/93/19/31/951931931.db2.gz STLFFVXTZAGVBB-LBPRGKRZSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575109582 951931937 /nfs/dbraw/zinc/93/19/37/951931937.db2.gz STLFFVXTZAGVBB-LBPRGKRZSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575109578 951931947 /nfs/dbraw/zinc/93/19/47/951931947.db2.gz SQVMQEPQTXIXBR-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575109578 951931952 /nfs/dbraw/zinc/93/19/52/951931952.db2.gz SQVMQEPQTXIXBR-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cccn(C)c1=O ZINC001575109588 951932233 /nfs/dbraw/zinc/93/22/33/951932233.db2.gz SZQKLUXYXJKSTJ-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cccn(C)c1=O ZINC001575109588 951932242 /nfs/dbraw/zinc/93/22/42/951932242.db2.gz SZQKLUXYXJKSTJ-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575110358 951939094 /nfs/dbraw/zinc/93/90/94/951939094.db2.gz ZOAIMPUDYNANTL-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575110358 951939102 /nfs/dbraw/zinc/93/91/02/951939102.db2.gz ZOAIMPUDYNANTL-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575110380 951939286 /nfs/dbraw/zinc/93/92/86/951939286.db2.gz ZXHXDGUYZSXYFE-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575110380 951939288 /nfs/dbraw/zinc/93/92/88/951939288.db2.gz ZXHXDGUYZSXYFE-BFUOFWGJSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575110413 951939374 /nfs/dbraw/zinc/93/93/74/951939374.db2.gz ZYRSOLNSJXGCBH-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575110413 951939377 /nfs/dbraw/zinc/93/93/77/951939377.db2.gz ZYRSOLNSJXGCBH-XJKSGUPXSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113447 951941667 /nfs/dbraw/zinc/94/16/67/951941667.db2.gz BNMCETAIFBZZMQ-DZGCQCFKSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113447 951941673 /nfs/dbraw/zinc/94/16/73/951941673.db2.gz BNMCETAIFBZZMQ-DZGCQCFKSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113901 951949818 /nfs/dbraw/zinc/94/98/18/951949818.db2.gz HVEOMDGJGILMEK-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113901 951949824 /nfs/dbraw/zinc/94/98/24/951949824.db2.gz HVEOMDGJGILMEK-ORAYPTAESA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575114095 951952277 /nfs/dbraw/zinc/95/22/77/951952277.db2.gz MPNULCCGUKETRH-APWZRJJASA-N 0 3 386.456 0.657 20 0 GCADHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575114095 951952283 /nfs/dbraw/zinc/95/22/83/951952283.db2.gz MPNULCCGUKETRH-APWZRJJASA-N 0 3 386.456 0.657 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114746 951959145 /nfs/dbraw/zinc/95/91/45/951959145.db2.gz RYOOUOXFOIYFQM-MJBXVCDLSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114746 951959151 /nfs/dbraw/zinc/95/91/51/951959151.db2.gz RYOOUOXFOIYFQM-MJBXVCDLSA-N 0 3 385.472 0.610 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114760 951960632 /nfs/dbraw/zinc/96/06/32/951960632.db2.gz SJBOUSSCRNPWGK-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114760 951960640 /nfs/dbraw/zinc/96/06/40/951960640.db2.gz SJBOUSSCRNPWGK-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115788 951966640 /nfs/dbraw/zinc/96/66/40/951966640.db2.gz YVJOAIHNBLBNRK-UONOGXRCSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115788 951966645 /nfs/dbraw/zinc/96/66/45/951966645.db2.gz YVJOAIHNBLBNRK-UONOGXRCSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115851 951968080 /nfs/dbraw/zinc/96/80/80/951968080.db2.gz ZVTHEERQRLTCDE-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115851 951968085 /nfs/dbraw/zinc/96/80/85/951968085.db2.gz ZVTHEERQRLTCDE-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575136316 952124758 /nfs/dbraw/zinc/12/47/58/952124758.db2.gz UUBPPMYDEIHORI-GFCCVEGCSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575136316 952124760 /nfs/dbraw/zinc/12/47/60/952124760.db2.gz UUBPPMYDEIHORI-GFCCVEGCSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575164040 952284952 /nfs/dbraw/zinc/28/49/52/952284952.db2.gz HIRBZEUHSPJTST-NQBHXWOUSA-N 0 3 376.440 1.000 20 0 GCADHN C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575164040 952284959 /nfs/dbraw/zinc/28/49/59/952284959.db2.gz HIRBZEUHSPJTST-NQBHXWOUSA-N 0 3 376.440 1.000 20 0 GCADHN C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575164040 952284961 /nfs/dbraw/zinc/28/49/61/952284961.db2.gz HIRBZEUHSPJTST-NQBHXWOUSA-N 0 3 376.440 1.000 20 0 GCADHN C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575164040 952284966 /nfs/dbraw/zinc/28/49/66/952284966.db2.gz HIRBZEUHSPJTST-NQBHXWOUSA-N 0 3 376.440 1.000 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575185146 952429437 /nfs/dbraw/zinc/42/94/37/952429437.db2.gz LVRWGMTYINNYLB-JSGCOSHPSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575185146 952429441 /nfs/dbraw/zinc/42/94/41/952429441.db2.gz LVRWGMTYINNYLB-JSGCOSHPSA-N 0 3 392.485 0.238 20 0 GCADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@H]1COCCO1 ZINC001571119407 952491011 /nfs/dbraw/zinc/49/10/11/952491011.db2.gz AMFFKIVZTGQOAB-LALPHHSUSA-N 0 3 376.392 0.158 20 0 GCADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@H]1COCCO1 ZINC001571119407 952491013 /nfs/dbraw/zinc/49/10/13/952491013.db2.gz AMFFKIVZTGQOAB-LALPHHSUSA-N 0 3 376.392 0.158 20 0 GCADHN CC(C)[C@@H](O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571122226 952523469 /nfs/dbraw/zinc/52/34/69/952523469.db2.gz HENAYXCYAXIKOT-HFBAOOFYSA-N 0 3 376.436 0.959 20 0 GCADHN CC(C)[C@@H](C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)[NH+](C)C ZINC001571123809 952531778 /nfs/dbraw/zinc/53/17/78/952531778.db2.gz WKEARVNJVUOIKW-JSGCOSHPSA-N 0 3 376.440 1.000 20 0 GCADHN CC(F)(F)C(=O)N1CCC(O)(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001575207660 952534841 /nfs/dbraw/zinc/53/48/41/952534841.db2.gz SGJHZSVPPRYFAH-UHFFFAOYSA-N 0 3 380.399 0.965 20 0 GCADHN CC(F)(F)C(=O)N1CCC(O)(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001575207660 952534846 /nfs/dbraw/zinc/53/48/46/952534846.db2.gz SGJHZSVPPRYFAH-UHFFFAOYSA-N 0 3 380.399 0.965 20 0 GCADHN O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571147006 952655333 /nfs/dbraw/zinc/65/53/33/952655333.db2.gz GIBBHNVYAMAEDD-WTTBNOFXSA-N 0 3 379.424 0.588 20 0 GCADHN O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571147006 952655336 /nfs/dbraw/zinc/65/53/36/952655336.db2.gz GIBBHNVYAMAEDD-WTTBNOFXSA-N 0 3 379.424 0.588 20 0 GCADHN O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571147006 952655340 /nfs/dbraw/zinc/65/53/40/952655340.db2.gz GIBBHNVYAMAEDD-WTTBNOFXSA-N 0 3 379.424 0.588 20 0 GCADHN O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571147006 952655343 /nfs/dbraw/zinc/65/53/43/952655343.db2.gz GIBBHNVYAMAEDD-WTTBNOFXSA-N 0 3 379.424 0.588 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)Cc1ccn(C)n1 ZINC001571167025 952768975 /nfs/dbraw/zinc/76/89/75/952768975.db2.gz SZPINCBYQYPFLU-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)Cc1ccn(C)n1 ZINC001571167025 952768977 /nfs/dbraw/zinc/76/89/77/952768977.db2.gz SZPINCBYQYPFLU-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571169889 952780675 /nfs/dbraw/zinc/78/06/75/952780675.db2.gz PUYLCRVAUDPPKJ-RHSMWYFYSA-N 0 3 380.456 0.948 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571169889 952780678 /nfs/dbraw/zinc/78/06/78/952780678.db2.gz PUYLCRVAUDPPKJ-RHSMWYFYSA-N 0 3 380.456 0.948 20 0 GCADHN Cn1ccnc1CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571172353 952804981 /nfs/dbraw/zinc/80/49/81/952804981.db2.gz TUPULNORYQZBQT-HNNXBMFYSA-N 0 3 380.456 0.924 20 0 GCADHN Cn1ccnc1CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571172353 952804985 /nfs/dbraw/zinc/80/49/85/952804985.db2.gz TUPULNORYQZBQT-HNNXBMFYSA-N 0 3 380.456 0.924 20 0 GCADHN Cn1cccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571179962 952858069 /nfs/dbraw/zinc/85/80/69/952858069.db2.gz LBLSYSAESVWKJC-HNNXBMFYSA-N 0 3 381.440 0.836 20 0 GCADHN Cn1cccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571179962 952858073 /nfs/dbraw/zinc/85/80/73/952858073.db2.gz LBLSYSAESVWKJC-HNNXBMFYSA-N 0 3 381.440 0.836 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2ccc(CO)cc2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571181359 952862790 /nfs/dbraw/zinc/86/27/90/952862790.db2.gz VBBFCCLECXUSBI-UHFFFAOYSA-N 0 3 381.440 0.985 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2ccc(CO)cc2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571181359 952862794 /nfs/dbraw/zinc/86/27/94/952862794.db2.gz VBBFCCLECXUSBI-UHFFFAOYSA-N 0 3 381.440 0.985 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001571183635 952881229 /nfs/dbraw/zinc/88/12/29/952881229.db2.gz GLXODAFHNSZUOZ-ZIAGYGMSSA-N 0 3 381.444 0.792 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571184006 952887162 /nfs/dbraw/zinc/88/71/62/952887162.db2.gz OMLDSQFLPGOWHZ-CJNGLKHVSA-N 0 3 381.444 0.343 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571184006 952887163 /nfs/dbraw/zinc/88/71/63/952887163.db2.gz OMLDSQFLPGOWHZ-CJNGLKHVSA-N 0 3 381.444 0.343 20 0 GCADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571184123 952888601 /nfs/dbraw/zinc/88/86/01/952888601.db2.gz QZIJANPXJXNTFV-IUODEOHRSA-N 0 3 381.444 0.636 20 0 GCADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571184123 952888603 /nfs/dbraw/zinc/88/86/03/952888603.db2.gz QZIJANPXJXNTFV-IUODEOHRSA-N 0 3 381.444 0.636 20 0 GCADHN Cc1c(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C)nnn1C ZINC001571185559 952902493 /nfs/dbraw/zinc/90/24/93/952902493.db2.gz NCYRVNBQNOOCBN-SMDDNHRTSA-N 0 3 381.444 0.696 20 0 GCADHN Cc1c(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C)nnn1C ZINC001571185559 952902496 /nfs/dbraw/zinc/90/24/96/952902496.db2.gz NCYRVNBQNOOCBN-SMDDNHRTSA-N 0 3 381.444 0.696 20 0 GCADHN CCn1nncc1C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571185598 952903168 /nfs/dbraw/zinc/90/31/68/952903168.db2.gz NTRYPCKFHNMIGK-WFASDCNBSA-N 0 3 381.444 0.728 20 0 GCADHN CCn1nncc1C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571185598 952903174 /nfs/dbraw/zinc/90/31/74/952903174.db2.gz NTRYPCKFHNMIGK-WFASDCNBSA-N 0 3 381.444 0.728 20 0 GCADHN Cc1cc(NC[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187874 952910286 /nfs/dbraw/zinc/91/02/86/952910286.db2.gz CKFOQAMCLIHBGY-WCQYABFASA-N 0 3 381.444 0.464 20 0 GCADHN O=C(Cn1cncn1)N1CCC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571188744 952919780 /nfs/dbraw/zinc/91/97/80/952919780.db2.gz HLARJVWPMXPDGG-UHFFFAOYSA-N 0 3 381.444 0.487 20 0 GCADHN O=C(Cn1cncn1)N1CCC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571188744 952919782 /nfs/dbraw/zinc/91/97/82/952919782.db2.gz HLARJVWPMXPDGG-UHFFFAOYSA-N 0 3 381.444 0.487 20 0 GCADHN Cc1cncn1CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001571189027 952922526 /nfs/dbraw/zinc/92/25/26/952922526.db2.gz PUOMDFRIPYPHTR-UKRRQHHQSA-N 0 3 381.444 0.598 20 0 GCADHN Cn1cnc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC001571188999 952922684 /nfs/dbraw/zinc/92/26/84/952922684.db2.gz LSFAJKUQYJZAJY-OAHLLOKOSA-N 0 3 381.444 0.780 20 0 GCADHN Cn1cnc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC001571188999 952922686 /nfs/dbraw/zinc/92/26/86/952922686.db2.gz LSFAJKUQYJZAJY-OAHLLOKOSA-N 0 3 381.444 0.780 20 0 GCADHN Cc1cnc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)cn1 ZINC001571189109 952925320 /nfs/dbraw/zinc/92/53/20/952925320.db2.gz SHLFAFARKILYTN-ABAIWWIYSA-N 0 3 381.444 0.934 20 0 GCADHN Cn1ncc(CCC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571189127 952925607 /nfs/dbraw/zinc/92/56/07/952925607.db2.gz MRUDROCUGSJJGD-HNNXBMFYSA-N 0 3 381.444 0.319 20 0 GCADHN Cn1ncc(CCC(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571189127 952925610 /nfs/dbraw/zinc/92/56/10/952925610.db2.gz MRUDROCUGSJJGD-HNNXBMFYSA-N 0 3 381.444 0.319 20 0 GCADHN Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571189263 952926146 /nfs/dbraw/zinc/92/61/46/952926146.db2.gz OZNWFGSWFABVAD-BXUZGUMPSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571189263 952926151 /nfs/dbraw/zinc/92/61/51/952926151.db2.gz OZNWFGSWFABVAD-BXUZGUMPSA-N 0 3 381.444 0.934 20 0 GCADHN Cn1cnc(C(=O)NC2CCC([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)n1 ZINC001571189255 952926533 /nfs/dbraw/zinc/92/65/33/952926533.db2.gz OVWCCOHDGPFXFP-UHFFFAOYSA-N 0 3 381.444 0.826 20 0 GCADHN Cn1cnc(C(=O)NC2CCC([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)n1 ZINC001571189255 952926539 /nfs/dbraw/zinc/92/65/39/952926539.db2.gz OVWCCOHDGPFXFP-UHFFFAOYSA-N 0 3 381.444 0.826 20 0 GCADHN Cn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)nn1 ZINC001571189416 952929492 /nfs/dbraw/zinc/92/94/92/952929492.db2.gz RGKUFURGGSYXSE-CQSZACIVSA-N 0 3 381.444 0.780 20 0 GCADHN Cn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)nn1 ZINC001571189416 952929495 /nfs/dbraw/zinc/92/94/95/952929495.db2.gz RGKUFURGGSYXSE-CQSZACIVSA-N 0 3 381.444 0.780 20 0 GCADHN Cc1nccnc1C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571189754 952934737 /nfs/dbraw/zinc/93/47/37/952934737.db2.gz TZEJWRSQXKMBNS-YPMHNXCESA-N 0 3 381.444 0.934 20 0 GCADHN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cccn1)C2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571189849 952936160 /nfs/dbraw/zinc/93/61/60/952936160.db2.gz XIUODMHGGXOXPW-CFVMTHIKSA-N 0 3 381.444 0.674 20 0 GCADHN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cccn1)C2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571189849 952936164 /nfs/dbraw/zinc/93/61/64/952936164.db2.gz XIUODMHGGXOXPW-CFVMTHIKSA-N 0 3 381.444 0.674 20 0 GCADHN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCn1cccn1)C2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571189849 952936171 /nfs/dbraw/zinc/93/61/71/952936171.db2.gz XIUODMHGGXOXPW-CFVMTHIKSA-N 0 3 381.444 0.674 20 0 GCADHN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cccn1)C2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571189849 952936173 /nfs/dbraw/zinc/93/61/73/952936173.db2.gz XIUODMHGGXOXPW-CFVMTHIKSA-N 0 3 381.444 0.674 20 0 GCADHN Cn1cnc(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C(C)(C)C2)n1 ZINC001571189881 952936381 /nfs/dbraw/zinc/93/63/81/952936381.db2.gz YHCWBNKSYWNDAW-AWEZNQCLSA-N 0 3 381.444 0.636 20 0 GCADHN Cn1cnc(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C(C)(C)C2)n1 ZINC001571189881 952936384 /nfs/dbraw/zinc/93/63/84/952936384.db2.gz YHCWBNKSYWNDAW-AWEZNQCLSA-N 0 3 381.444 0.636 20 0 GCADHN Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571189923 952937395 /nfs/dbraw/zinc/93/73/95/952937395.db2.gz ZHJBMQASDGHYLJ-SMDDNHRTSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571189923 952937399 /nfs/dbraw/zinc/93/73/99/952937399.db2.gz ZHJBMQASDGHYLJ-SMDDNHRTSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571198730 952992434 /nfs/dbraw/zinc/99/24/34/952992434.db2.gz FBEUWAINQUVTKE-CQSZACIVSA-N 0 3 382.428 0.998 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571198730 952992437 /nfs/dbraw/zinc/99/24/37/952992437.db2.gz FBEUWAINQUVTKE-CQSZACIVSA-N 0 3 382.428 0.998 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001571198847 952993683 /nfs/dbraw/zinc/99/36/83/952993683.db2.gz HCCMIEBIOIXWDH-OAHLLOKOSA-N 0 3 382.428 0.613 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571199159 952996631 /nfs/dbraw/zinc/99/66/31/952996631.db2.gz MQZXRQOBPMQUSS-IINYFYTJSA-N 0 3 382.428 0.854 20 0 GCADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571199159 952996634 /nfs/dbraw/zinc/99/66/34/952996634.db2.gz MQZXRQOBPMQUSS-IINYFYTJSA-N 0 3 382.428 0.854 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cn[nH]c2)cc1-c1nnn[n-]1 ZINC001571199670 953002783 /nfs/dbraw/zinc/00/27/83/953002783.db2.gz YHJAOSPEOOLNKJ-CQSZACIVSA-N 0 3 382.428 0.993 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cn[nH]c2)cc1-c1nn[n-]n1 ZINC001571199670 953002785 /nfs/dbraw/zinc/00/27/85/953002785.db2.gz YHJAOSPEOOLNKJ-CQSZACIVSA-N 0 3 382.428 0.993 20 0 GCADHN C[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1c[nH]c(=O)n1C ZINC001571199697 953003052 /nfs/dbraw/zinc/00/30/52/953003052.db2.gz ZPPAQKMEPJAPSP-BXUZGUMPSA-N 0 3 382.428 0.556 20 0 GCADHN C[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1c[nH]c(=O)n1C ZINC001571199697 953003059 /nfs/dbraw/zinc/00/30/59/953003059.db2.gz ZPPAQKMEPJAPSP-BXUZGUMPSA-N 0 3 382.428 0.556 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001571199694 953003087 /nfs/dbraw/zinc/00/30/87/953003087.db2.gz ZMGCCUWKMAAFFZ-FUKZOUPISA-N 0 3 382.428 0.897 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571200403 953008631 /nfs/dbraw/zinc/00/86/31/953008631.db2.gz IHSZUDXKABDCNL-FZMZJTMJSA-N 0 3 382.428 0.556 20 0 GCADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571200403 953008636 /nfs/dbraw/zinc/00/86/36/953008636.db2.gz IHSZUDXKABDCNL-FZMZJTMJSA-N 0 3 382.428 0.556 20 0 GCADHN O=C(c1cn[nH]c1)N1CCCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571204576 953029777 /nfs/dbraw/zinc/02/97/77/953029777.db2.gz AAFFVXSPHURRKW-HNNXBMFYSA-N 0 3 382.428 0.611 20 0 GCADHN O=C(c1cn[nH]c1)N1CCCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571204576 953029784 /nfs/dbraw/zinc/02/97/84/953029784.db2.gz AAFFVXSPHURRKW-HNNXBMFYSA-N 0 3 382.428 0.611 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1nnn(C)n1 ZINC001571205676 953041768 /nfs/dbraw/zinc/04/17/68/953041768.db2.gz MWRKJBCNPOKJIH-FZMZJTMJSA-N 0 3 382.432 0.173 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1nnn(C)n1 ZINC001571205676 953041772 /nfs/dbraw/zinc/04/17/72/953041772.db2.gz MWRKJBCNPOKJIH-FZMZJTMJSA-N 0 3 382.432 0.173 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CN1C(=O)CCn1cnnn1 ZINC001571205909 953043872 /nfs/dbraw/zinc/04/38/72/953043872.db2.gz NZNZTDAHXBLKBD-GXTWGEPZSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CN1C(=O)CCn1cnnn1 ZINC001571205909 953043876 /nfs/dbraw/zinc/04/38/76/953043876.db2.gz NZNZTDAHXBLKBD-GXTWGEPZSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571206638 953054294 /nfs/dbraw/zinc/05/42/94/953054294.db2.gz VUBKJOBDCZURHI-GXTWGEPZSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571206638 953054298 /nfs/dbraw/zinc/05/42/98/953054298.db2.gz VUBKJOBDCZURHI-GXTWGEPZSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001571206638 953054301 /nfs/dbraw/zinc/05/43/01/953054301.db2.gz VUBKJOBDCZURHI-GXTWGEPZSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001571206638 953054306 /nfs/dbraw/zinc/05/43/06/953054306.db2.gz VUBKJOBDCZURHI-GXTWGEPZSA-N 0 3 382.432 0.023 20 0 GCADHN Cc1nnc(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)o1 ZINC001571206871 953056512 /nfs/dbraw/zinc/05/65/12/953056512.db2.gz SGDYFZSIQPTYPT-AWEZNQCLSA-N 0 3 382.428 0.739 20 0 GCADHN Cc1nnc(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)o1 ZINC001571206871 953056517 /nfs/dbraw/zinc/05/65/17/953056517.db2.gz SGDYFZSIQPTYPT-AWEZNQCLSA-N 0 3 382.428 0.739 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571207211 953061163 /nfs/dbraw/zinc/06/11/63/953061163.db2.gz XFFWNVMAOGGHOA-OAHLLOKOSA-N 0 3 382.428 0.881 20 0 GCADHN Cc1nonc1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571207211 953061167 /nfs/dbraw/zinc/06/11/67/953061167.db2.gz XFFWNVMAOGGHOA-OAHLLOKOSA-N 0 3 382.428 0.881 20 0 GCADHN Cc1nnc(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)o1 ZINC001571207390 953062396 /nfs/dbraw/zinc/06/23/96/953062396.db2.gz ZLJMHSWVZQDODV-CTYIDZIISA-N 0 3 382.428 0.785 20 0 GCADHN Cc1nnc(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)o1 ZINC001571207390 953062397 /nfs/dbraw/zinc/06/23/97/953062397.db2.gz ZLJMHSWVZQDODV-CTYIDZIISA-N 0 3 382.428 0.785 20 0 GCADHN Cn1nnc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)n1 ZINC001571210561 953073050 /nfs/dbraw/zinc/07/30/50/953073050.db2.gz SFORMSNDFWZODN-ZDUSSCGKSA-N 0 3 382.432 0.175 20 0 GCADHN Cn1nnc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)n1 ZINC001571210561 953073054 /nfs/dbraw/zinc/07/30/54/953073054.db2.gz SFORMSNDFWZODN-ZDUSSCGKSA-N 0 3 382.432 0.175 20 0 GCADHN Cc1cc(NC[C@@H]2CCCCN2C(=O)Cc2nnc[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211901 953082696 /nfs/dbraw/zinc/08/26/96/953082696.db2.gz IJABVCIVGUWVGH-LBPRGKRZSA-N 0 3 382.432 0.146 20 0 GCADHN Cc1cc(N2CC[C@H](N3CCN(C(=O)C4CC4)CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212537 953088982 /nfs/dbraw/zinc/08/89/82/953088982.db2.gz MYRVROWMCHSHBG-HNNXBMFYSA-N 0 3 382.472 0.703 20 0 GCADHN C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571213212 953093001 /nfs/dbraw/zinc/09/30/01/953093001.db2.gz PSBACEKITWPKHT-DZGCQCFKSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571213212 953093003 /nfs/dbraw/zinc/09/30/03/953093003.db2.gz PSBACEKITWPKHT-DZGCQCFKSA-N 0 3 382.472 0.831 20 0 GCADHN Cc1nc(N2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)ccc1-c1nn[n-]n1 ZINC001571214429 953101652 /nfs/dbraw/zinc/10/16/52/953101652.db2.gz YOAMIRHXFXNRLV-AWEZNQCLSA-N 0 3 382.472 0.703 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)cn2)CC[N@@H+]1C ZINC001571214453 953102783 /nfs/dbraw/zinc/10/27/83/953102783.db2.gz YTFFRZSQUDTNRA-XJBGLIRHSA-N 0 3 382.472 0.828 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)cn2)CC[N@H+]1C ZINC001571214453 953102786 /nfs/dbraw/zinc/10/27/86/953102786.db2.gz YTFFRZSQUDTNRA-XJBGLIRHSA-N 0 3 382.472 0.828 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)cn2)CC[N@@H+]1C ZINC001571214453 953102789 /nfs/dbraw/zinc/10/27/89/953102789.db2.gz YTFFRZSQUDTNRA-XJBGLIRHSA-N 0 3 382.472 0.828 20 0 GCADHN C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)cn2)CC[N@H+]1C ZINC001571214453 953102791 /nfs/dbraw/zinc/10/27/91/953102791.db2.gz YTFFRZSQUDTNRA-XJBGLIRHSA-N 0 3 382.472 0.828 20 0 GCADHN O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)C12CCC[NH+]1CCC2 ZINC001571217269 953106297 /nfs/dbraw/zinc/10/62/97/953106297.db2.gz DHGJYLIAAFLPGC-CQSZACIVSA-N 0 3 382.472 0.975 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001571222800 953138380 /nfs/dbraw/zinc/13/83/80/953138380.db2.gz MMBGDFNLCDJJLB-ZDUSSCGKSA-N 0 3 383.416 0.008 20 0 GCADHN CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC001571231451 953184661 /nfs/dbraw/zinc/18/46/61/953184661.db2.gz XEFSNODDDMLEKN-HZPDHXFCSA-N 0 3 383.456 0.426 20 0 GCADHN CN1C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC001571231451 953184663 /nfs/dbraw/zinc/18/46/63/953184663.db2.gz XEFSNODDDMLEKN-HZPDHXFCSA-N 0 3 383.456 0.426 20 0 GCADHN CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571232134 953186287 /nfs/dbraw/zinc/18/62/87/953186287.db2.gz BRTDXTVZKJACJH-KCQAQPDRSA-N 0 3 383.460 0.321 20 0 GCADHN CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571232134 953186288 /nfs/dbraw/zinc/18/62/88/953186288.db2.gz BRTDXTVZKJACJH-KCQAQPDRSA-N 0 3 383.460 0.321 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571232680 953188298 /nfs/dbraw/zinc/18/82/98/953188298.db2.gz IZYVJHWVLWUQOA-ZCDTZLGTSA-N 0 3 383.456 0.363 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571232680 953188300 /nfs/dbraw/zinc/18/83/00/953188300.db2.gz IZYVJHWVLWUQOA-ZCDTZLGTSA-N 0 3 383.456 0.363 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCC(=O)N1 ZINC001571232841 953189199 /nfs/dbraw/zinc/18/91/99/953189199.db2.gz KYFXWBZPNVRXEK-LIRRHRJNSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCC(=O)N1 ZINC001571232841 953189201 /nfs/dbraw/zinc/18/92/01/953189201.db2.gz KYFXWBZPNVRXEK-LIRRHRJNSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H]1CCC(=O)NC1 ZINC001571232872 953189350 /nfs/dbraw/zinc/18/93/50/953189350.db2.gz LPOKDCQKGWUJJW-DVOMOZLQSA-N 0 3 383.456 0.329 20 0 GCADHN C[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H]1CCC(=O)NC1 ZINC001571232872 953189352 /nfs/dbraw/zinc/18/93/52/953189352.db2.gz LPOKDCQKGWUJJW-DVOMOZLQSA-N 0 3 383.456 0.329 20 0 GCADHN O=C([C@H]1CCNC(=O)CC1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571233567 953193564 /nfs/dbraw/zinc/19/35/64/953193564.db2.gz YADLKCGEPHODOT-HZPDHXFCSA-N 0 3 383.456 0.474 20 0 GCADHN Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571233778 953195814 /nfs/dbraw/zinc/19/58/14/953195814.db2.gz CZHBENLZDWVQDC-DOMZBBRYSA-N 0 3 383.460 0.925 20 0 GCADHN Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571233778 953195817 /nfs/dbraw/zinc/19/58/17/953195817.db2.gz CZHBENLZDWVQDC-DOMZBBRYSA-N 0 3 383.460 0.925 20 0 GCADHN Cn1cc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571233795 953195867 /nfs/dbraw/zinc/19/58/67/953195867.db2.gz DIEORPRWZXIOKX-AWEZNQCLSA-N 0 3 383.460 0.707 20 0 GCADHN Cn1cc(CC[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571233795 953195872 /nfs/dbraw/zinc/19/58/72/953195872.db2.gz DIEORPRWZXIOKX-AWEZNQCLSA-N 0 3 383.460 0.707 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571234130 953198796 /nfs/dbraw/zinc/19/87/96/953198796.db2.gz NXAAWEMKBFPNJW-VNHYZAJKSA-N 0 3 383.460 0.036 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571234130 953198799 /nfs/dbraw/zinc/19/87/99/953198799.db2.gz NXAAWEMKBFPNJW-VNHYZAJKSA-N 0 3 383.460 0.036 20 0 GCADHN O=C(c1ccc(=O)[nH]n1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571236155 953216426 /nfs/dbraw/zinc/21/64/26/953216426.db2.gz SKWGADWOKJKGOY-NSHDSACASA-N 0 3 384.375 0.506 20 0 GCADHN O=C(c1ccc(=O)[nH]n1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571236155 953216429 /nfs/dbraw/zinc/21/64/29/953216429.db2.gz SKWGADWOKJKGOY-NSHDSACASA-N 0 3 384.375 0.506 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1ccnc1 ZINC001571238864 953232947 /nfs/dbraw/zinc/23/29/47/953232947.db2.gz BLHJBFKQUQENCU-BLLLJJGKSA-N 0 3 384.419 0.982 20 0 GCADHN Cn1nccc1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571241604 953248348 /nfs/dbraw/zinc/24/83/48/953248348.db2.gz GATMDGJWSKOTJM-ZDUSSCGKSA-N 0 3 384.419 0.991 20 0 GCADHN Cn1nccc1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571241604 953248350 /nfs/dbraw/zinc/24/83/50/953248350.db2.gz GATMDGJWSKOTJM-ZDUSSCGKSA-N 0 3 384.419 0.991 20 0 GCADHN O=C(CCn1ccnc1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571241650 953248445 /nfs/dbraw/zinc/24/84/45/953248445.db2.gz HIHHEIBDEJNDDR-CQSZACIVSA-N 0 3 384.419 0.983 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1-c1nnn[n-]1 ZINC001571241756 953249517 /nfs/dbraw/zinc/24/95/17/953249517.db2.gz KRCQROYJWONKGL-NJSLBKSFSA-N 0 3 384.440 0.602 20 0 GCADHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)cc1-c1nn[n-]n1 ZINC001571241756 953249521 /nfs/dbraw/zinc/24/95/21/953249521.db2.gz KRCQROYJWONKGL-NJSLBKSFSA-N 0 3 384.440 0.602 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001571241787 953249939 /nfs/dbraw/zinc/24/99/39/953249939.db2.gz LOGJVZNFKJZNOP-UTXMOHQDSA-N 0 3 384.440 0.458 20 0 GCADHN COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001571241787 953249940 /nfs/dbraw/zinc/24/99/40/953249940.db2.gz LOGJVZNFKJZNOP-UTXMOHQDSA-N 0 3 384.440 0.458 20 0 GCADHN COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571242251 953254457 /nfs/dbraw/zinc/25/44/57/953254457.db2.gz XXRCVFNKISRPRB-MIGQKNRLSA-N 0 3 384.440 0.660 20 0 GCADHN COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571242251 953254462 /nfs/dbraw/zinc/25/44/62/953254462.db2.gz XXRCVFNKISRPRB-MIGQKNRLSA-N 0 3 384.440 0.660 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571245928 953278875 /nfs/dbraw/zinc/27/88/75/953278875.db2.gz OXOPNDZYBBUHEY-GXFFZTMASA-N 0 3 384.448 0.296 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571245928 953278877 /nfs/dbraw/zinc/27/88/77/953278877.db2.gz OXOPNDZYBBUHEY-GXFFZTMASA-N 0 3 384.448 0.296 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1CNCc1cn(C)nn1 ZINC001571246137 953280189 /nfs/dbraw/zinc/28/01/89/953280189.db2.gz UVYOBUGDPDMLCQ-VXGBXAGGSA-N 0 3 384.448 0.211 20 0 GCADHN C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571255165 953345704 /nfs/dbraw/zinc/34/57/04/953345704.db2.gz LWBAFKJKBYOOGQ-NHYWBVRUSA-N 0 3 385.407 0.234 20 0 GCADHN C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571255165 953345710 /nfs/dbraw/zinc/34/57/10/953345710.db2.gz LWBAFKJKBYOOGQ-NHYWBVRUSA-N 0 3 385.407 0.234 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1ncn(C)n1 ZINC001571255428 953349280 /nfs/dbraw/zinc/34/92/80/953349280.db2.gz PGFMUNVQAYMQMH-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1ncn(C)n1 ZINC001571255428 953349285 /nfs/dbraw/zinc/34/92/85/953349285.db2.gz PGFMUNVQAYMQMH-IINYFYTJSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001571255446 953350078 /nfs/dbraw/zinc/35/00/78/953350078.db2.gz QAIALTWFYHHFQW-JQWIXIFHSA-N 0 3 385.407 0.764 20 0 GCADHN O=C([O-])CN1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001339150306 962011008 /nfs/dbraw/zinc/01/10/08/962011008.db2.gz BBYIWKQLFUARLP-UHFFFAOYSA-N 0 3 397.497 0.346 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])CC2)CC1 ZINC001603760543 974207715 /nfs/dbraw/zinc/20/77/15/974207715.db2.gz YHFLLJYTYSCESD-HNNXBMFYSA-N 0 3 396.532 0.621 20 0 GCADHN COc1ccc(CN2CC[C@H]([NH2+]C3CCN(CC(=O)[O-])CC3)C2=O)c(OC)c1 ZINC001119539723 982985132 /nfs/dbraw/zinc/98/51/32/982985132.db2.gz WRKROTKKZUNDGN-KRWDZBQOSA-N 0 3 391.468 0.943 20 0 GCADHN CN1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C[C@H](C(=O)[O-])C1 ZINC001598214722 990873002 /nfs/dbraw/zinc/87/30/02/990873002.db2.gz PFPOJPIUMNWERK-KGLIPLIRSA-N 0 3 386.493 0.306 20 0 GCADHN CN1CCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C(=O)[O-])C1 ZINC001598236050 990957377 /nfs/dbraw/zinc/95/73/77/990957377.db2.gz LVZDJGGSNDKHAF-KRWDZBQOSA-N 0 3 392.500 0.827 20 0 GCADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCC[NH+]2CCC(C(=O)[O-])CC2)cn1 ZINC001598578375 993309144 /nfs/dbraw/zinc/30/91/44/993309144.db2.gz GKGOKSMKFOAEEN-MSOLQXFVSA-N 0 3 391.516 0.758 20 0 GCADHN COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc2c([n-]1)n(C)c(=O)n(C)c2=O ZINC001197305303 1126154334 /nfs/dbraw/zinc/15/43/34/1126154334.db2.gz YEPBRWHMCCDBPK-IBGZPJMESA-N 0 3 387.440 0.052 20 0 GCADHN COCCN(C(=O)NC[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000538074342 530154131 /nfs/dbraw/zinc/15/41/31/530154131.db2.gz CCNZLWHISAHPJY-JKSUJKDBSA-N 0 3 375.535 0.954 20 0 GCADHN CC[NH+](CC)CCN(CCOC)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000264228844 530154197 /nfs/dbraw/zinc/15/41/97/530154197.db2.gz XMOWFRAFOQXQKR-UHFFFAOYSA-N 0 3 377.532 0.843 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000583934644 530116933 /nfs/dbraw/zinc/11/69/33/530116933.db2.gz PIULVUNSSBUYNN-PWSUYJOCSA-N 0 3 375.878 1.000 20 0 GCADHN CCCCN(C)CCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000571390426 530117938 /nfs/dbraw/zinc/11/79/38/530117938.db2.gz NVRIXYGUMBSZMT-UHFFFAOYSA-N 0 3 375.516 0.616 20 0 GCADHN C[C@@H](NC(=O)c1cc2c(c(Br)c1)OCO2)C(=O)NCCN(C)C ZINC000583950804 530119148 /nfs/dbraw/zinc/11/91/48/530119148.db2.gz XVYBYKRBXWOENM-SECBINFHSA-N 0 3 386.246 0.974 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN(C)C2)cc1C ZINC000530481182 530120386 /nfs/dbraw/zinc/12/03/86/530120386.db2.gz NVDUHIOGKXTYMG-CYBMUJFWSA-N 0 3 375.516 0.523 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H]3CNCCO3)C2)s1 ZINC000333308797 530124255 /nfs/dbraw/zinc/12/42/55/530124255.db2.gz RIBNCPRZRQZVEC-KGLIPLIRSA-N 0 3 387.527 0.562 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)[C@@](C)(N)c2ccc(Br)cc2)CC1 ZINC000261708499 530129027 /nfs/dbraw/zinc/12/90/27/530129027.db2.gz IYSQRXRQDWKVGF-KRWDZBQOSA-N 0 3 397.317 0.950 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)[C@](C)(N)c2ccc(Br)cc2)CC1 ZINC000261708502 530129750 /nfs/dbraw/zinc/12/97/50/530129750.db2.gz IYSQRXRQDWKVGF-QGZVFWFLSA-N 0 3 397.317 0.950 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000262053012 530130863 /nfs/dbraw/zinc/13/08/63/530130863.db2.gz ILHFBNZVHYAQPL-QWHCGFSZSA-N 0 3 385.262 0.191 20 0 GCADHN COCCNCCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000262200864 530133328 /nfs/dbraw/zinc/13/33/28/530133328.db2.gz ASRZUIMYUQCAQQ-UHFFFAOYSA-N 0 3 386.246 0.527 20 0 GCADHN CS(=O)(=O)C1(C(=O)NC[C@H](O)c2c(F)cccc2Cl)CCNCC1 ZINC000262558519 530136131 /nfs/dbraw/zinc/13/61/31/530136131.db2.gz QCWMPOVOJCGFFO-LBPRGKRZSA-N 0 3 378.853 0.796 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000363341526 530137969 /nfs/dbraw/zinc/13/79/69/530137969.db2.gz MIIGSBRRBBZJKI-KBPBESRZSA-N 0 3 375.535 0.662 20 0 GCADHN CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000414216191 530141214 /nfs/dbraw/zinc/14/12/14/530141214.db2.gz YYMOZVBJULCZPU-JTQLQIEISA-N 0 3 390.483 0.877 20 0 GCADHN COCCN(C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000263727934 530145364 /nfs/dbraw/zinc/14/53/64/530145364.db2.gz GNOULPIRHCSGOG-LBPRGKRZSA-N 0 3 377.894 0.701 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CCN1C ZINC000533562757 530147180 /nfs/dbraw/zinc/14/71/80/530147180.db2.gz NUYLBWQTLPYNMP-JHJVBQTASA-N 0 3 375.516 0.665 20 0 GCADHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000263927898 530149211 /nfs/dbraw/zinc/14/92/11/530149211.db2.gz SYLWOQOWZHUICA-ZDUSSCGKSA-N 0 3 386.543 0.918 20 0 GCADHN CCc1nc(S(=O)(=O)C(C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)sc1C ZINC000650194506 530149789 /nfs/dbraw/zinc/14/97/89/530149789.db2.gz JQGJNKFNUNOJED-MNOVXSKESA-N 0 3 394.540 0.822 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000264103384 530151716 /nfs/dbraw/zinc/15/17/16/530151716.db2.gz AZPYGXMEPYAJRL-UHFFFAOYSA-N 0 3 375.466 0.726 20 0 GCADHN COCCCN(C)CCNC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000266136606 530195240 /nfs/dbraw/zinc/19/52/40/530195240.db2.gz FIQRNMOZBJPSMR-UHFFFAOYSA-N 0 3 377.532 0.538 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000557553803 530196926 /nfs/dbraw/zinc/19/69/26/530196926.db2.gz FKCOYQGZWVQTDD-GFCCVEGCSA-N 0 3 387.527 0.758 20 0 GCADHN CCN(CC)[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000266190988 530197186 /nfs/dbraw/zinc/19/71/86/530197186.db2.gz GAWOTTJKCVSJEL-LBPRGKRZSA-N 0 3 375.516 0.658 20 0 GCADHN O=C1NC(=O)[C@@H]2CN([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]12 ZINC000625459299 530207299 /nfs/dbraw/zinc/20/72/99/530207299.db2.gz GLPGGLJKUSXOCJ-LOWVWBTDSA-N 0 3 378.226 0.907 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCOCC[NH2+]C)cc1F ZINC000624396673 530203151 /nfs/dbraw/zinc/20/31/51/530203151.db2.gz AIRRCGSWHPTDMR-UHFFFAOYSA-N 0 3 397.494 0.444 20 0 GCADHN C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000530827032 530162724 /nfs/dbraw/zinc/16/27/24/530162724.db2.gz RYBVDYHUMOTIKM-LBPRGKRZSA-N 0 3 399.289 0.902 20 0 GCADHN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000530827032 530162726 /nfs/dbraw/zinc/16/27/26/530162726.db2.gz RYBVDYHUMOTIKM-LBPRGKRZSA-N 0 3 399.289 0.902 20 0 GCADHN COCCCN1CCC(NC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000530839984 530164384 /nfs/dbraw/zinc/16/43/84/530164384.db2.gz CRNMJDZFIPFPLR-UHFFFAOYSA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)[C@]1(CNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CCSC1 ZINC000530895026 530166597 /nfs/dbraw/zinc/16/65/97/530166597.db2.gz QAXGZCJXIWHBHC-ZBFHGGJFSA-N 0 3 392.591 0.927 20 0 GCADHN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C)C[C@@H]1CN ZINC000584230466 530205979 /nfs/dbraw/zinc/20/59/79/530205979.db2.gz HIKIDYVHRQIEHC-UWVGGRQHSA-N 0 3 389.319 0.730 20 0 GCADHN CN1CCC(NC(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 ZINC000660822037 530172044 /nfs/dbraw/zinc/17/20/44/530172044.db2.gz NULJJIGWPUEENA-UHFFFAOYSA-N 0 3 384.278 0.967 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CCO1 ZINC000265340832 530179909 /nfs/dbraw/zinc/17/99/09/530179909.db2.gz HZGWWPQVOYKMFH-KBPBESRZSA-N 0 3 387.527 0.690 20 0 GCADHN CN(C)CCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000265383891 530180956 /nfs/dbraw/zinc/18/09/56/530180956.db2.gz JVWFBGSHHUUFJS-UHFFFAOYSA-N 0 3 376.866 0.207 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)NCCNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000363386181 530183374 /nfs/dbraw/zinc/18/33/74/530183374.db2.gz LFFDLVSLZHCGQJ-KBPBESRZSA-N 0 3 376.523 0.066 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCN(CCOC)C2)s1 ZINC000265606189 530186672 /nfs/dbraw/zinc/18/66/72/530186672.db2.gz MXJABSKILDKKSI-LLVKDONJSA-N 0 3 376.504 0.176 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCN(CCOC)C2)s1 ZINC000265606193 530187108 /nfs/dbraw/zinc/18/71/08/530187108.db2.gz MXJABSKILDKKSI-NSHDSACASA-N 0 3 376.504 0.176 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1F ZINC000647189227 530224514 /nfs/dbraw/zinc/22/45/14/530224514.db2.gz JYGNSAMCRUNIRA-UHFFFAOYSA-N 0 3 379.479 0.865 20 0 GCADHN CN1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000518137962 530224977 /nfs/dbraw/zinc/22/49/77/530224977.db2.gz YGDYUVYXGSEOJI-CYBMUJFWSA-N 0 3 386.543 0.824 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000268418873 530227106 /nfs/dbraw/zinc/22/71/06/530227106.db2.gz ANBWQBWSKVVZIV-UHFFFAOYSA-N 0 3 375.516 0.378 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000268440611 530227464 /nfs/dbraw/zinc/22/74/64/530227464.db2.gz GBXIVWIEPKRMDV-CYBMUJFWSA-N 0 3 389.543 0.766 20 0 GCADHN O=S(=O)(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCN2CCCC[C@H]12 ZINC000268564757 530229218 /nfs/dbraw/zinc/22/92/18/530229218.db2.gz AGMUHBMMSOVWOM-HZPDHXFCSA-N 0 3 387.527 0.511 20 0 GCADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000444505934 530231404 /nfs/dbraw/zinc/23/14/04/530231404.db2.gz GDOCYIASDLXWLY-SNVBAGLBSA-N 0 3 387.278 0.933 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000268781933 530232607 /nfs/dbraw/zinc/23/26/07/530232607.db2.gz ITCUQFQJCLUGAG-CJNGLKHVSA-N 0 3 387.527 0.700 20 0 GCADHN CC(C(=O)NC[C@H](O)COc1ccccc1Br)S(C)(=O)=O ZINC000268936343 530234223 /nfs/dbraw/zinc/23/42/23/530234223.db2.gz YVLXYROGRMHVEF-ZJUUUORDSA-N 0 3 380.260 0.738 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)[C@H](N)CCSC)c1 ZINC000269058752 530234885 /nfs/dbraw/zinc/23/48/85/530234885.db2.gz UBWPZOPMYSPGPB-CQSZACIVSA-N 0 3 375.516 0.308 20 0 GCADHN C[NH+](C)CC[C@@H](N)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000653161672 530236393 /nfs/dbraw/zinc/23/63/93/530236393.db2.gz WVYDTCWQSZYUCZ-GFCCVEGCSA-N 0 3 380.873 0.153 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000269216951 530236506 /nfs/dbraw/zinc/23/65/06/530236506.db2.gz FXECAFLDAXLIFI-AWEZNQCLSA-N 0 3 387.527 0.786 20 0 GCADHN C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000269317650 530237907 /nfs/dbraw/zinc/23/79/07/530237907.db2.gz HUJXQGCJPFZROY-LLVKDONJSA-N 0 3 379.479 0.769 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000269447259 530241254 /nfs/dbraw/zinc/24/12/54/530241254.db2.gz UFTWENNGNKPLKP-KGLIPLIRSA-N 0 3 389.543 0.768 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000269447259 530241257 /nfs/dbraw/zinc/24/12/57/530241257.db2.gz UFTWENNGNKPLKP-KGLIPLIRSA-N 0 3 389.543 0.768 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269474967 530241633 /nfs/dbraw/zinc/24/16/33/530241633.db2.gz KDQQTHMLZHITEN-UHFFFAOYSA-N 0 3 378.520 0.294 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269474967 530241635 /nfs/dbraw/zinc/24/16/35/530241635.db2.gz KDQQTHMLZHITEN-UHFFFAOYSA-N 0 3 378.520 0.294 20 0 GCADHN CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000269500459 530242061 /nfs/dbraw/zinc/24/20/61/530242061.db2.gz AYIKIIVBZCEOMP-GFCCVEGCSA-N 0 3 375.516 0.575 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CCSC1 ZINC000269552806 530243282 /nfs/dbraw/zinc/24/32/82/530243282.db2.gz FZJQHHQQSVULBG-ZDUSSCGKSA-N 0 3 379.408 0.937 20 0 GCADHN O=C(N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@]1(F)CCNC1 ZINC000150697023 530244533 /nfs/dbraw/zinc/24/45/33/530244533.db2.gz QHHIRCKVMQLWAI-HNNXBMFYSA-N 0 3 375.853 0.875 20 0 GCADHN O=C(N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@]1(F)CCNC1 ZINC000150697025 530244609 /nfs/dbraw/zinc/24/46/09/530244609.db2.gz QHHIRCKVMQLWAI-OAHLLOKOSA-N 0 3 375.853 0.875 20 0 GCADHN C[C@H](N)[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CCO1 ZINC000647234445 530248018 /nfs/dbraw/zinc/24/80/18/530248018.db2.gz RFYKDLOYRVHXQP-GWCFXTLKSA-N 0 3 396.918 0.621 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@@](C)(O)CN(C)C)s1 ZINC000269859740 530252383 /nfs/dbraw/zinc/25/23/83/530252383.db2.gz CPBRBPBFNQRLKX-XJKSGUPXSA-N 0 3 389.543 0.638 20 0 GCADHN CS(=O)(=O)c1cccc(S(=O)(=O)NCCCCN2CCC[C@@H]2CO)c1 ZINC000269811462 530250334 /nfs/dbraw/zinc/25/03/34/530250334.db2.gz UPRXTZSNOBQQRH-CQSZACIVSA-N 0 3 390.527 0.605 20 0 GCADHN CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@]2(N(C)C)CCSC2)s1 ZINC000267194793 530209994 /nfs/dbraw/zinc/20/99/94/530209994.db2.gz PJJYXYLVKAUUBH-AWEZNQCLSA-N 0 3 392.572 0.893 20 0 GCADHN CSC1(CNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)CCN(C)CC1 ZINC000558555548 530211573 /nfs/dbraw/zinc/21/15/73/530211573.db2.gz JCHHXORXMBVGOI-UHFFFAOYSA-N 0 3 388.559 0.833 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)Nc2cc(Br)cn(C)c2=O)CC1=O ZINC000267671725 530215108 /nfs/dbraw/zinc/21/51/08/530215108.db2.gz JUWZSVATQFAPQK-SNVBAGLBSA-N 0 3 385.262 0.496 20 0 GCADHN CC[C@@H](N)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000129682878 530216727 /nfs/dbraw/zinc/21/67/27/530216727.db2.gz IHHULLCWWDYBDL-CMPLNLGQSA-N 0 3 378.210 0.884 20 0 GCADHN CN(C)CCN(C)C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000267868364 530217643 /nfs/dbraw/zinc/21/76/43/530217643.db2.gz JPNWYWCVHXXQCC-UHFFFAOYSA-N 0 3 375.516 0.466 20 0 GCADHN CS[C@@H]1CN([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@H]1N(C)C ZINC000536470802 530250923 /nfs/dbraw/zinc/25/09/23/530250923.db2.gz DJZSQCZSLYKGHY-KCPJHIHWSA-N 0 3 386.543 0.638 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000268045715 530220510 /nfs/dbraw/zinc/22/05/10/530220510.db2.gz ZLUWNAKQUBBVBK-ZDUSSCGKSA-N 0 3 375.466 0.820 20 0 GCADHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000517784581 530221672 /nfs/dbraw/zinc/22/16/72/530221672.db2.gz QEKYVQCAIVKIFS-ZDUSSCGKSA-N 0 3 377.532 0.944 20 0 GCADHN C[C@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271486805 530272835 /nfs/dbraw/zinc/27/28/35/530272835.db2.gz JVDOFSGQCZJEHW-UONOGXRCSA-N 0 3 389.543 0.869 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000123151269 530273700 /nfs/dbraw/zinc/27/37/00/530273700.db2.gz FQDPQPDVDUFXTM-CQSZACIVSA-N 0 3 386.905 0.803 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(Br)cn1 ZINC000561230972 530275209 /nfs/dbraw/zinc/27/52/09/530275209.db2.gz WABFACZWVGXWNW-JQWIXIFHSA-N 0 3 384.278 0.123 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccc(Br)cn1 ZINC000561230973 530275225 /nfs/dbraw/zinc/27/52/25/530275225.db2.gz WABFACZWVGXWNW-PWSUYJOCSA-N 0 3 384.278 0.123 20 0 GCADHN CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000124610822 530276376 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C[C@@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C1=CCN(C)CC1 ZINC000272749443 530282974 /nfs/dbraw/zinc/28/29/74/530282974.db2.gz DUIMASUBYBAQNS-TZMCWYRMSA-N 0 3 387.527 0.832 20 0 GCADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)NC[C@H]2CCCO2)CC1 ZINC000561784547 530283784 /nfs/dbraw/zinc/28/37/84/530283784.db2.gz JSNXIZRATDEZOJ-GDBMZVCRSA-N 0 3 375.535 0.664 20 0 GCADHN COC(=O)C1(CS(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)CCCC1 ZINC000562001313 530286680 /nfs/dbraw/zinc/28/66/80/530286680.db2.gz JVHKOAJJLXHPSV-OAHLLOKOSA-N 0 3 376.519 0.732 20 0 GCADHN CN(C)S(=O)(=O)c1cc(NC(=O)CNC(C)(C)CC(N)=O)ccc1Cl ZINC000273535438 530289021 /nfs/dbraw/zinc/28/90/21/530289021.db2.gz SECARAPJFUIPMB-UHFFFAOYSA-N 0 3 390.893 0.772 20 0 GCADHN CCS(=O)(=O)N1CCC(C(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000562181303 530289134 /nfs/dbraw/zinc/28/91/34/530289134.db2.gz GENQTONZWUBDKR-UHFFFAOYSA-N 0 3 377.576 0.992 20 0 GCADHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000133383658 530292475 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C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000270384858 530259469 /nfs/dbraw/zinc/25/94/69/530259469.db2.gz QHNRXSWSSLMEEJ-CYBMUJFWSA-N 0 3 389.543 0.720 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000270384858 530259471 /nfs/dbraw/zinc/25/94/71/530259471.db2.gz QHNRXSWSSLMEEJ-CYBMUJFWSA-N 0 3 389.543 0.720 20 0 GCADHN CN1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000114675637 530263171 /nfs/dbraw/zinc/26/31/71/530263171.db2.gz NIXBYBGWEVSXRM-UHFFFAOYSA-N 0 3 396.332 0.953 20 0 GCADHN COc1cc(Br)cc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000270831200 530264566 /nfs/dbraw/zinc/26/45/66/530264566.db2.gz GNWMTTMVOQKSID-HNNXBMFYSA-N 0 3 388.262 0.825 20 0 GCADHN C[C@@H]1CSC[C@@H]1NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000560492420 530266373 /nfs/dbraw/zinc/26/63/73/530266373.db2.gz WTZGLHSEIXCHHN-QPSCCSFWSA-N 0 3 376.544 0.522 20 0 GCADHN CN(C)CCNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000118094232 530266921 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CCN(CCO)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000274609252 530298296 /nfs/dbraw/zinc/29/82/96/530298296.db2.gz YWQCRNFFAPVFMS-AWEZNQCLSA-N 0 3 389.543 0.640 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000146243175 530303871 /nfs/dbraw/zinc/30/38/71/530303871.db2.gz LMZNYSGMAFEJIP-AWEZNQCLSA-N 0 3 387.527 0.844 20 0 GCADHN COCCNc1nnc(S(=O)(=O)C(C)C(=O)NC[C@H]2CCCO2)s1 ZINC000145979538 530303889 /nfs/dbraw/zinc/30/38/89/530303889.db2.gz HNNHZQPKUHWNFT-NXEZZACHSA-N 0 3 378.476 0.054 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](N3CCCC3)[C@@H](SC)C2)cn1 ZINC000275115524 530306633 /nfs/dbraw/zinc/30/66/33/530306633.db2.gz MDPHAHHUMFXNOP-KGLIPLIRSA-N 0 3 384.527 0.642 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000298495884 530306817 /nfs/dbraw/zinc/30/68/17/530306817.db2.gz OLLPMYLIAOXHBB-CVEARBPZSA-N 0 3 387.527 0.842 20 0 GCADHN O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NC[C@@H]1CNCCO1 ZINC000572630644 530310323 /nfs/dbraw/zinc/31/03/23/530310323.db2.gz HYUSXULICYMMAO-NSHDSACASA-N 0 3 396.241 0.540 20 0 GCADHN O=C(Cn1cnc2ccc(Br)cc2c1=O)NC[C@@H]1CNCCO1 ZINC000562964677 530311121 /nfs/dbraw/zinc/31/11/21/530311121.db2.gz ZSKFWQPYPYEMAF-NSHDSACASA-N 0 3 381.230 0.264 20 0 GCADHN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)C(=O)NC1CNC1 ZINC000569791477 530311302 /nfs/dbraw/zinc/31/13/02/530311302.db2.gz NIFMZCNHSPRXLH-UHFFFAOYSA-N 0 3 392.257 0.915 20 0 GCADHN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572736276 530312055 /nfs/dbraw/zinc/31/20/55/530312055.db2.gz OLENGZBZMKJJDF-VXGBXAGGSA-N 0 3 377.388 0.946 20 0 GCADHN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572736275 530312094 /nfs/dbraw/zinc/31/20/94/530312094.db2.gz OLENGZBZMKJJDF-RYUDHWBXSA-N 0 3 377.388 0.946 20 0 GCADHN C[C@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)CN1CCCC1 ZINC000275486361 530312305 /nfs/dbraw/zinc/31/23/05/530312305.db2.gz KBMMLVQDFXFTHH-CQSZACIVSA-N 0 3 389.543 0.947 20 0 GCADHN COCCO[C@H]1COCC[C@@H]1NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631115054 530312552 /nfs/dbraw/zinc/31/25/52/530312552.db2.gz NARYGNCGWLXVRR-KBPBESRZSA-N 0 3 378.878 0.898 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCCN1CCCC1 ZINC000275516775 530312830 /nfs/dbraw/zinc/31/28/30/530312830.db2.gz MXROBTMGJCTDBD-UHFFFAOYSA-N 0 3 375.516 0.701 20 0 GCADHN COCCNCCNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000152279319 530313796 /nfs/dbraw/zinc/31/37/96/530313796.db2.gz YCQPWBWQRALWEX-UHFFFAOYSA-N 0 3 379.276 0.818 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000275846255 530316704 /nfs/dbraw/zinc/31/67/04/530316704.db2.gz WKBWNTWWYNRDAM-ZDUSSCGKSA-N 0 3 375.516 0.652 20 0 GCADHN CN(C)C1(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCC1 ZINC000275994119 530318842 /nfs/dbraw/zinc/31/88/42/530318842.db2.gz NWXAFEYLHIDURN-UHFFFAOYSA-N 0 3 386.543 0.966 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000154823608 530319768 /nfs/dbraw/zinc/31/97/68/530319768.db2.gz FGBQACPSNXKTCW-UHFFFAOYSA-N 0 3 395.261 0.988 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)CCOc3ccccc3Br)CCN2C1=O ZINC000570463932 530320188 /nfs/dbraw/zinc/32/01/88/530320188.db2.gz IIKJHOIBOMPBES-WCQYABFASA-N 0 3 382.258 0.988 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CNCCC1(F)F ZINC000644014838 530320282 /nfs/dbraw/zinc/32/02/82/530320282.db2.gz VJXKWLQQUXRWAU-GFCCVEGCSA-N 0 3 381.832 0.979 20 0 GCADHN COC[C@H](C)OC[C@@H](O)CN[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000570676554 530322950 /nfs/dbraw/zinc/32/29/50/530322950.db2.gz UZXKLOAKNRTROP-ZNMIVQPWSA-N 0 3 392.543 0.903 20 0 GCADHN C[C@@H](C[NH3+])NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000276959356 530327586 /nfs/dbraw/zinc/32/75/86/530327586.db2.gz PPJNXIBBBRJNBV-JQWIXIFHSA-N 0 3 375.878 0.874 20 0 GCADHN O=S1(=O)CCO[C@@H](CNC[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000570920644 530328015 /nfs/dbraw/zinc/32/80/15/530328015.db2.gz SYLOLSRCXLSGSH-NEPJUHHUSA-N 0 3 383.388 0.848 20 0 GCADHN Cn1cc(CNC[C@H](CO)Cc2ccccc2Br)c(=O)n(C)c1=O ZINC000277017266 530328372 /nfs/dbraw/zinc/32/83/72/530328372.db2.gz MFQRUCKLBFMTQK-GFCCVEGCSA-N 0 3 396.285 0.787 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCC(C)(C)CCO ZINC000574916986 530328516 /nfs/dbraw/zinc/32/85/16/530328516.db2.gz ORVYAGSDGDMSOT-UHFFFAOYSA-N 0 3 392.543 0.709 20 0 GCADHN O=S(=O)(c1cccs1)N1CCC[C@@H](NC[C@@H](O)CN2CCOCC2)C1 ZINC000644647638 530360150 /nfs/dbraw/zinc/36/01/50/530360150.db2.gz GNWPBUGBNKEATM-HUUCEWRRSA-N 0 3 389.543 0.184 20 0 GCADHN [NH3+]C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000178589604 530364745 /nfs/dbraw/zinc/36/47/45/530364745.db2.gz YLIBAWSQXWWJGC-QMMMGPOBSA-N 0 3 382.305 0.596 20 0 GCADHN C[C@H]1C[C@@H](N(C)C(=O)NCCS(=O)(=O)N2CCSCC2)CCN1C ZINC000332926911 530331718 /nfs/dbraw/zinc/33/17/18/530331718.db2.gz LDYKPUWFWOUDCF-KBPBESRZSA-N 0 3 378.564 0.489 20 0 GCADHN C[C@H]1NCCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)[C@H]1C ZINC000277453308 530332279 /nfs/dbraw/zinc/33/22/79/530332279.db2.gz GTPAUROMKHRXQW-RQJHMYQMSA-N 0 3 382.305 0.980 20 0 GCADHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000161590605 530332420 /nfs/dbraw/zinc/33/24/20/530332420.db2.gz UCMJQOYWTTVJQW-NSHDSACASA-N 0 3 387.278 0.393 20 0 GCADHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000161590605 530332421 /nfs/dbraw/zinc/33/24/21/530332421.db2.gz UCMJQOYWTTVJQW-NSHDSACASA-N 0 3 387.278 0.393 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc(Br)nn1C ZINC000277528662 530332980 /nfs/dbraw/zinc/33/29/80/530332980.db2.gz QIADYHHUAGCION-LLVKDONJSA-N 0 3 386.294 0.855 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc(Br)nn1C ZINC000277528666 530333060 /nfs/dbraw/zinc/33/30/60/530333060.db2.gz QIADYHHUAGCION-NSHDSACASA-N 0 3 386.294 0.855 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000278909023 530344431 /nfs/dbraw/zinc/34/44/31/530344431.db2.gz VPBJZPHONLUQAI-UHFFFAOYSA-N 0 3 393.506 0.145 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1cccs1 ZINC000279266656 530346514 /nfs/dbraw/zinc/34/65/14/530346514.db2.gz YHVOZKJJIHQIED-ZDUSSCGKSA-N 0 3 387.527 0.738 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)CNS(=O)(=O)N(C)C)cc1Cl ZINC000668847234 530346853 /nfs/dbraw/zinc/34/68/53/530346853.db2.gz DYIJQVGCYOKEHT-UHFFFAOYSA-N 0 3 378.882 0.615 20 0 GCADHN COCCN(C)CCNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000279973744 530349540 /nfs/dbraw/zinc/34/95/40/530349540.db2.gz PWJIVMBIHGKJQT-CYBMUJFWSA-N 0 3 387.278 0.853 20 0 GCADHN CN(C)S(=O)(=O)CCNC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000563012481 530349993 /nfs/dbraw/zinc/34/99/93/530349993.db2.gz UKCIVMUOFRZKGH-LBPRGKRZSA-N 0 3 399.282 0.809 20 0 GCADHN C[N@@H+]1CC[C@@](O)(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000460262002 530351870 /nfs/dbraw/zinc/35/18/70/530351870.db2.gz LJBKXXYHKBQUHK-CYBMUJFWSA-N 0 3 396.922 0.046 20 0 GCADHN C[N@H+]1CC[C@@](O)(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000460262002 530351871 /nfs/dbraw/zinc/35/18/71/530351871.db2.gz LJBKXXYHKBQUHK-CYBMUJFWSA-N 0 3 396.922 0.046 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000280752141 530354217 /nfs/dbraw/zinc/35/42/17/530354217.db2.gz CTVGWICCTTXSGB-KGLIPLIRSA-N 0 3 399.289 0.995 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000174322091 530354220 /nfs/dbraw/zinc/35/42/20/530354220.db2.gz PBVNHJOUNAQAAJ-UHFFFAOYSA-N 0 3 388.921 0.697 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)cn1 ZINC000280741724 530354230 /nfs/dbraw/zinc/35/42/30/530354230.db2.gz OMJZQPFRPYKCFP-CQSZACIVSA-N 0 3 387.527 0.982 20 0 GCADHN C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000282694333 530374180 /nfs/dbraw/zinc/37/41/80/530374180.db2.gz XOZWRMLRBWXZRF-UHFFFAOYSA-N 0 3 389.543 0.947 20 0 GCADHN CCN(CCO)CCNC(=O)CNC(=O)c1ccc(Br)s1 ZINC000184007179 530375111 /nfs/dbraw/zinc/37/51/11/530375111.db2.gz JHTYWWONRUNFFD-UHFFFAOYSA-N 0 3 378.292 0.671 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000582063450 530375354 /nfs/dbraw/zinc/37/53/54/530375354.db2.gz LDBIJGPJQWPGMP-WDEREUQCSA-N 0 3 390.303 0.936 20 0 GCADHN CCOC(=O)c1ccsc1NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000283056117 530376816 /nfs/dbraw/zinc/37/68/16/530376816.db2.gz OKJUIDKLOLUANH-QMMMGPOBSA-N 0 3 375.428 0.271 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000185311396 530377119 /nfs/dbraw/zinc/37/71/19/530377119.db2.gz XXMPHXQRLINPHZ-LBPRGKRZSA-N 0 3 388.921 0.743 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)CCCN(C)C)CC1 ZINC000601331497 530378222 /nfs/dbraw/zinc/37/82/22/530378222.db2.gz BWEUWVUSCLYQBL-UHFFFAOYSA-N 0 3 377.507 0.001 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NCC1=CC[NH2+]CC1 ZINC000186378804 530378730 /nfs/dbraw/zinc/37/87/30/530378730.db2.gz NNKUTLJGAIFDLR-UHFFFAOYSA-N 0 3 394.316 0.825 20 0 GCADHN COCCCN(C)CCNC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000283338612 530378987 /nfs/dbraw/zinc/37/89/87/530378987.db2.gz XBUYEWBIDBRYRK-UHFFFAOYSA-N 0 3 375.466 0.774 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3csnc3-c3ccccc3)CCN2C1=O ZINC000601342691 530379147 /nfs/dbraw/zinc/37/91/47/530379147.db2.gz GGKRRIBZUPDUAM-CHWSQXEVSA-N 0 3 378.479 0.743 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3csnc3-c3ccccc3)CCN2C1=O ZINC000601342697 530379267 /nfs/dbraw/zinc/37/92/67/530379267.db2.gz GGKRRIBZUPDUAM-STQMWFEESA-N 0 3 378.479 0.743 20 0 GCADHN CCCNc1nnc(S(=O)(=O)C(C)C(=O)N2CCC[C@H](C(N)=O)C2)s1 ZINC000283368780 530379282 /nfs/dbraw/zinc/37/92/82/530379282.db2.gz LYEPTMVIOKGAET-UWVGGRQHSA-N 0 3 389.503 0.246 20 0 GCADHN CC[NH+](CC)CCC[C@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000042537990 530380386 /nfs/dbraw/zinc/38/03/86/530380386.db2.gz NHADZIJTDAESIE-NSHDSACASA-N 0 3 389.294 0.926 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([NH2+]C)C2)cc1F ZINC000497352381 530381902 /nfs/dbraw/zinc/38/19/02/530381902.db2.gz LGRMRFLLRPAPDI-NSHDSACASA-N 0 3 379.479 0.960 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N(C)Cc2nccn2C(F)F)CCSC1 ZINC000283861939 530382212 /nfs/dbraw/zinc/38/22/12/530382212.db2.gz BFJPDUYUGOQJKM-OAHLLOKOSA-N 0 3 375.445 0.790 20 0 GCADHN O=C([C@H]1C[C@H](F)CN1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000188264360 530383088 /nfs/dbraw/zinc/38/30/88/530383088.db2.gz CULMUSOQHXFYFB-WCQYABFASA-N 0 3 377.388 0.498 20 0 GCADHN CS[C@@H]1CN(S(=O)(=O)CCCN2CCN(C)CC2)C[C@H]1N1CCCC1 ZINC000601397861 530385486 /nfs/dbraw/zinc/38/54/86/530385486.db2.gz VNRSIMBLSPRCRM-IAGOWNOFSA-N 0 3 390.619 0.465 20 0 GCADHN Cn1c2ncn(CCN3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)c2c(=O)n(C)c1=O ZINC000285024713 530389121 /nfs/dbraw/zinc/38/91/21/530389121.db2.gz ZUVRSEJMQCWMEC-BMIGLBTASA-N 0 3 386.283 0.949 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000192924204 530391963 /nfs/dbraw/zinc/39/19/63/530391963.db2.gz NNRVODIEUXKNGI-UHFFFAOYSA-N 0 3 398.305 0.926 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000497865241 530393144 /nfs/dbraw/zinc/39/31/44/530393144.db2.gz RFNORQBGHFZYND-SECBINFHSA-N 0 3 379.791 0.961 20 0 GCADHN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](CO)CN(C)C ZINC000590369354 530369641 /nfs/dbraw/zinc/36/96/41/530369641.db2.gz CUVJJRRBTNFCQV-HIFRSBDPSA-N 0 3 389.543 0.125 20 0 GCADHN CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000590360490 530369740 /nfs/dbraw/zinc/36/97/40/530369740.db2.gz GBFWDEUIKWYEHM-LLVKDONJSA-N 0 3 388.262 0.825 20 0 GCADHN CN1CCN(CCNC(=O)NCc2ccc(S(N)(=O)=O)s2)CC1(C)C ZINC000282419267 530371298 /nfs/dbraw/zinc/37/12/98/530371298.db2.gz QSLGRWCHLIFDTD-UHFFFAOYSA-N 0 3 389.547 0.221 20 0 GCADHN CN(C)C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(F)cc1 ZINC000287428136 530408420 /nfs/dbraw/zinc/40/84/20/530408420.db2.gz KYIFWJWEDWSLLP-OAHLLOKOSA-N 0 3 375.466 0.789 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000590750813 530400960 /nfs/dbraw/zinc/40/09/60/530400960.db2.gz BXZNBWOTKCHZOF-NEPJUHHUSA-N 0 3 388.408 0.607 20 0 GCADHN CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000286509386 530401360 /nfs/dbraw/zinc/40/13/60/530401360.db2.gz AIRWDCIPPSFMDC-OKILXGFUSA-N 0 3 387.527 0.557 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1 ZINC000286591765 530402046 /nfs/dbraw/zinc/40/20/46/530402046.db2.gz GJFOCCCAWIRSQR-BBRMVZONSA-N 0 3 387.527 0.842 20 0 GCADHN COCCCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000364785114 530402122 /nfs/dbraw/zinc/40/21/22/530402122.db2.gz HCGXRVAWKSDJTI-AWEZNQCLSA-N 0 3 389.543 0.986 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 ZINC000286916779 530404868 /nfs/dbraw/zinc/40/48/68/530404868.db2.gz HZSYFENZAWCNFN-LBPRGKRZSA-N 0 3 375.516 0.512 20 0 GCADHN C[C@H](C[S@](C)=O)NC(=O)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000287083726 530406222 /nfs/dbraw/zinc/40/62/22/530406222.db2.gz NLPCPQLKMWDUAH-JXQWACKNSA-N 0 3 385.555 0.960 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1cccc(C(=O)NC)c1Br ZINC000287648278 530410952 /nfs/dbraw/zinc/41/09/52/530410952.db2.gz NZWWGYOFHKMXRD-UHFFFAOYSA-N 0 3 385.262 0.815 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000592096765 530413601 /nfs/dbraw/zinc/41/36/01/530413601.db2.gz QONRCTVMPFTAOB-NSHDSACASA-N 0 3 395.934 0.907 20 0 GCADHN CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000638324904 530417191 /nfs/dbraw/zinc/41/71/91/530417191.db2.gz FCBUSIVKCNFOPV-IAQYHMDHSA-N 0 3 377.413 0.126 20 0 GCADHN COc1cc(F)c(CNCCN2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000651705423 530419618 /nfs/dbraw/zinc/41/96/18/530419618.db2.gz RVALTCKTJPDFPZ-UHFFFAOYSA-N 0 3 375.466 0.510 20 0 GCADHN COC(=O)CC[C@H](N)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000288874032 530421269 /nfs/dbraw/zinc/42/12/69/530421269.db2.gz YSZCPVRCMLEJTO-LBPRGKRZSA-N 0 3 386.246 0.576 20 0 GCADHN CO[C@H](CN)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000289717690 530427224 /nfs/dbraw/zinc/42/72/24/530427224.db2.gz UPKXVIKTVMLFTA-LLVKDONJSA-N 0 3 396.296 0.800 20 0 GCADHN CO[C@@H](CN)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000289851853 530428355 /nfs/dbraw/zinc/42/83/55/530428355.db2.gz FWVHPYBHFSWFFJ-LBPRGKRZSA-N 0 3 385.262 0.995 20 0 GCADHN CCN(CC)CCN(CCOC)C(=O)C(=O)NCc1nnc(SC)s1 ZINC000289342483 530424411 /nfs/dbraw/zinc/42/44/11/530424411.db2.gz WHTGWUGXZTYQMH-UHFFFAOYSA-N 0 3 389.547 0.693 20 0 GCADHN COCCN1CC[C@H](NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000593915557 530426111 /nfs/dbraw/zinc/42/61/11/530426111.db2.gz UYRZENBWYBZLBD-AWEZNQCLSA-N 0 3 389.905 0.845 20 0 GCADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccnc2)C[C@@H]1N1CCCC1 ZINC000290600476 530434892 /nfs/dbraw/zinc/43/48/92/530434892.db2.gz DJSTXXFSQVMEEE-GJZGRUSLSA-N 0 3 384.527 0.398 20 0 GCADHN CN(C)c1ncc(Br)cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594880553 530442627 /nfs/dbraw/zinc/44/26/27/530442627.db2.gz SHVIOSHFJGIHNZ-CMPLNLGQSA-N 0 3 382.262 0.294 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3cc(Br)cc4c3OCCO4)CCN2C1=O ZINC000594879388 530442763 /nfs/dbraw/zinc/44/27/63/530442763.db2.gz NMGDLFUASHFMGC-JQWIXIFHSA-N 0 3 396.241 0.604 20 0 GCADHN CN(Cc1ccccc1Br)C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594874706 530443199 /nfs/dbraw/zinc/44/31/99/530443199.db2.gz PVFCEWSJQYWJBW-HIFRSBDPSA-N 0 3 395.301 0.651 20 0 GCADHN CN1CC[C@]2(CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000291840008 530443355 /nfs/dbraw/zinc/44/33/55/530443355.db2.gz GVLYFGGXIHAZRT-INIZCTEOSA-N 0 3 387.527 0.322 20 0 GCADHN CN1CC[C@@]2(CCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000291840009 530443428 /nfs/dbraw/zinc/44/34/28/530443428.db2.gz GVLYFGGXIHAZRT-MRXNPFEDSA-N 0 3 387.527 0.322 20 0 GCADHN CCS(=O)(=O)NCCCNCc1cnn2cc(Br)cnc12 ZINC000638458668 530439808 /nfs/dbraw/zinc/43/98/08/530439808.db2.gz UIPXCWINDMEPNW-UHFFFAOYSA-N 0 3 376.280 0.911 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000594851656 530441483 /nfs/dbraw/zinc/44/14/83/530441483.db2.gz QVRBQQMPXLFQRO-GMTAPVOTSA-N 0 3 386.392 0.801 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(Cl)s1 ZINC000595275867 530445738 /nfs/dbraw/zinc/44/57/38/530445738.db2.gz CULZQKYCWFPIKZ-MXWKQRLJSA-N 0 3 384.889 0.739 20 0 GCADHN COc1cc(Br)ccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595274183 530445087 /nfs/dbraw/zinc/44/50/87/530445087.db2.gz SEKASXNPHKRUTG-OLZOCXBDSA-N 0 3 397.273 0.911 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)CCN2C1=O ZINC000595240699 530445190 /nfs/dbraw/zinc/44/51/90/530445190.db2.gz WWQMLIMHIRUZEM-LDYMZIIASA-N 0 3 389.214 0.841 20 0 GCADHN CSc1cc(Cl)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595240363 530445298 /nfs/dbraw/zinc/44/52/98/530445298.db2.gz IQPHUVQTQROBQL-MNOVXSKESA-N 0 3 382.873 0.771 20 0 GCADHN CSCC[C@@H](N)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000595939060 530451848 /nfs/dbraw/zinc/45/18/48/530451848.db2.gz URMDFJGCZOSRIA-SNVBAGLBSA-N 0 3 375.292 0.771 20 0 GCADHN CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595980004 530451899 /nfs/dbraw/zinc/45/18/99/530451899.db2.gz CDYKILBLOYEHKN-ZYHUDNBSSA-N 0 3 384.889 0.520 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N(C)CCn2cc(Br)cn2)CC1=O ZINC000293142239 530452159 /nfs/dbraw/zinc/45/21/59/530452159.db2.gz WQHJYDXZXIROAM-GFCCVEGCSA-N 0 3 386.294 0.514 20 0 GCADHN C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C2)C1 ZINC000294166427 530457836 /nfs/dbraw/zinc/45/78/36/530457836.db2.gz OHSISQLFWQMPNN-HNNXBMFYSA-N 0 3 385.262 0.656 20 0 GCADHN C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C2)C1 ZINC000294166427 530457837 /nfs/dbraw/zinc/45/78/37/530457837.db2.gz OHSISQLFWQMPNN-HNNXBMFYSA-N 0 3 385.262 0.656 20 0 GCADHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(S(=O)(=O)CCO)cc2)C1 ZINC000294823587 530460408 /nfs/dbraw/zinc/46/04/08/530460408.db2.gz XUXDCIJOUSJQJO-HOCLYGCPSA-N 0 3 375.512 0.898 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000295062788 530460971 /nfs/dbraw/zinc/46/09/71/530460971.db2.gz VJYGXPADPIBRGS-LBPRGKRZSA-N 0 3 384.278 0.561 20 0 GCADHN CCOC(=O)C[C@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)C(F)(F)F ZINC000598048051 530462019 /nfs/dbraw/zinc/46/20/19/530462019.db2.gz SEYXMQZBPVQUGT-KOLCDFICSA-N 0 3 389.392 0.969 20 0 GCADHN COC(=O)c1ccc(OCCN2C(C)C(=O)N(C)S2(=O)=O)c(Cl)c1 ZINC000295299091 530462330 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N[C@@H]1C[C@@H]2CN(C(=O)c3cc(Br)cc4nc[nH]c43)CCN2C1=O ZINC000602522169 530484187 /nfs/dbraw/zinc/48/41/87/530484187.db2.gz DGNJOOAWUBTMHP-MWLCHTKSSA-N 0 3 378.230 0.709 20 0 GCADHN CC(C)[C@H](N)C(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000602587143 530484485 /nfs/dbraw/zinc/48/44/85/530484485.db2.gz XCNUSNABLZKTSL-NSHDSACASA-N 0 3 389.241 0.713 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)CN2CCCCC2)cc1 ZINC000298840054 530484572 /nfs/dbraw/zinc/48/45/72/530484572.db2.gz FKWDVMFSRMSBTQ-AWEZNQCLSA-N 0 3 389.543 0.995 20 0 GCADHN CS[C@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1N1CCCC1 ZINC000599761926 530474681 /nfs/dbraw/zinc/47/46/81/530474681.db2.gz LKTTYFNCJXSNDY-KKUMJFAQSA-N 0 3 375.560 0.696 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1N1CCCC1 ZINC000599761928 530474708 /nfs/dbraw/zinc/47/47/08/530474708.db2.gz LKTTYFNCJXSNDY-SOUVJXGZSA-N 0 3 375.560 0.696 20 0 GCADHN O=C(c1cncc(I)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599936671 530476004 /nfs/dbraw/zinc/47/60/04/530476004.db2.gz ASIPQWHECBKDPY-CHWSQXEVSA-N 0 3 387.221 0.967 20 0 GCADHN CC1CC[NH+](C[C@H](O)CNC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000604787875 530498865 /nfs/dbraw/zinc/49/88/65/530498865.db2.gz DDMONALDKCPYTK-CQSZACIVSA-N 0 3 389.543 0.626 20 0 GCADHN CN(C)CCN(CCN(C)C)C(=O)c1nn(C)cc1I ZINC000602898521 530486098 /nfs/dbraw/zinc/48/60/98/530486098.db2.gz MWUBACUOIKXQBW-UHFFFAOYSA-N 0 3 393.273 0.590 20 0 GCADHN CN(CCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CC1 ZINC000299220399 530488314 /nfs/dbraw/zinc/48/83/14/530488314.db2.gz WYFIPQNIKKAELS-UHFFFAOYSA-N 0 3 387.527 0.522 20 0 GCADHN COCCN1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000299232219 530488355 /nfs/dbraw/zinc/48/83/55/530488355.db2.gz FJRQQBZGMFTNJW-UHFFFAOYSA-N 0 3 375.878 0.828 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)[N-]CCCN1CCC[N@H+](C)CC1 ZINC000603401673 530489360 /nfs/dbraw/zinc/48/93/60/530489360.db2.gz FGOOXPREMPBPIQ-UHFFFAOYSA-N 0 3 376.504 0.236 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)[N-]CCCN1CCC[N@@H+](C)CC1 ZINC000603401673 530489363 /nfs/dbraw/zinc/48/93/63/530489363.db2.gz FGOOXPREMPBPIQ-UHFFFAOYSA-N 0 3 376.504 0.236 20 0 GCADHN COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NCCCN1CCCN(C)CC1 ZINC000603403344 530489765 /nfs/dbraw/zinc/48/97/65/530489765.db2.gz OTTHMWSGRHPPHW-HOTGVXAUSA-N 0 3 375.535 0.665 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000603538726 530491088 /nfs/dbraw/zinc/49/10/88/530491088.db2.gz GAWLLCXECVWRLH-OAHLLOKOSA-N 0 3 375.539 0.385 20 0 GCADHN CN1CCCC12CCN(c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)CC2 ZINC000408238210 530491637 /nfs/dbraw/zinc/49/16/37/530491637.db2.gz WEDJRZSKSOHFTD-UHFFFAOYSA-N 0 3 387.527 0.802 20 0 GCADHN CN1CCC[C@@H](N2CCN(C(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)C1 ZINC000604351991 530495428 /nfs/dbraw/zinc/49/54/28/530495428.db2.gz KJAQUZKMVLSOBR-CYBMUJFWSA-N 0 3 386.543 0.176 20 0 GCADHN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(C)S(C)(=O)=O ZINC000049620305 530496285 /nfs/dbraw/zinc/49/62/85/530496285.db2.gz 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/nfs/dbraw/zinc/50/41/51/530504151.db2.gz IRQKXKNKCDTYGZ-UHFFFAOYSA-N 0 3 389.193 0.669 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(I)cc1 ZINC000415861751 530504894 /nfs/dbraw/zinc/50/48/94/530504894.db2.gz JQRUESSEXRGWNO-LLVKDONJSA-N 0 3 389.193 0.334 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000415870474 530505239 /nfs/dbraw/zinc/50/52/39/530505239.db2.gz SSBBTJBNIAKKGL-SSDOTTSWSA-N 0 3 378.173 0.770 20 0 GCADHN CN(CCN)C(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000415868970 530505347 /nfs/dbraw/zinc/50/53/47/530505347.db2.gz ZDQINUZFSFGQHL-UHFFFAOYSA-N 0 3 383.136 0.925 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)CCN)c(I)c1 ZINC000415876697 530505414 /nfs/dbraw/zinc/50/54/14/530505414.db2.gz GCYDWFYXDMEBPE-UHFFFAOYSA-N 0 3 377.182 0.655 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CCSC1 ZINC000531481398 530509055 /nfs/dbraw/zinc/50/90/55/530509055.db2.gz PJYPCTSGGJSSGM-MRXNPFEDSA-N 0 3 390.575 0.680 20 0 GCADHN CN1CCN(CCNC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1(C)C ZINC000440982836 530509994 /nfs/dbraw/zinc/50/99/94/530509994.db2.gz QBDIYIOPWLIORI-UHFFFAOYSA-N 0 3 388.559 0.977 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCN(C)C2)c(C(=O)OC)s1 ZINC000416497805 530511422 /nfs/dbraw/zinc/51/14/22/530511422.db2.gz UQJQHCLDBQPQIO-VIFPVBQESA-N 0 3 376.456 0.551 20 0 GCADHN COC(=O)c1cccc(NC(=O)C(=O)N2CCCNCC2)c1Br ZINC000415323996 530502617 /nfs/dbraw/zinc/50/26/17/530502617.db2.gz TYYJOEQOLHMXPF-UHFFFAOYSA-N 0 3 384.230 0.996 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)Cc3ccc(Br)cc3)CCN2C1=O ZINC000518797547 530502859 /nfs/dbraw/zinc/50/28/59/530502859.db2.gz XKMOROKQEVPCSQ-STQMWFEESA-N 0 3 388.287 0.523 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CN)ncc1I ZINC000415484676 530503035 /nfs/dbraw/zinc/50/30/35/530503035.db2.gz NYIUIGDHBJFERQ-SECBINFHSA-N 0 3 388.209 0.883 20 0 GCADHN CCOCCS(=O)(=O)NCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000531807908 530522627 /nfs/dbraw/zinc/52/26/27/530522627.db2.gz IPMZEGNPVGASIL-UHFFFAOYSA-N 0 3 375.535 0.667 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCCN(C)C2)cc1C ZINC000416548218 530512186 /nfs/dbraw/zinc/51/21/86/530512186.db2.gz BEVNRRZEAKVKPV-CQSZACIVSA-N 0 3 389.543 0.913 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000330614992 530522955 /nfs/dbraw/zinc/52/29/55/530522955.db2.gz UBGAJJKKFJLRTR-JKSUJKDBSA-N 0 3 389.543 0.887 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000332932992 530515115 /nfs/dbraw/zinc/51/51/15/530515115.db2.gz UJQKVZHCCUCPSL-GXTWGEPZSA-N 0 3 376.548 0.147 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CNC(=O)NC[C@H]1CNCCO1 ZINC000416823262 530515557 /nfs/dbraw/zinc/51/55/57/530515557.db2.gz GSPZINSFGDDWLW-GFCCVEGCSA-N 0 3 385.262 0.984 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)NC[C@@]2(COC)CCC[NH2+]2)s1 ZINC000416912383 530515564 /nfs/dbraw/zinc/51/55/64/530515564.db2.gz JEKWVMYYQDOBKI-CQSZACIVSA-N 0 3 376.504 0.224 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000366312452 530518753 /nfs/dbraw/zinc/51/87/53/530518753.db2.gz PXVQDAPLDLLOAR-YABSGUDNSA-N 0 3 377.463 0.472 20 0 GCADHN COCCNCCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000237290301 530519463 /nfs/dbraw/zinc/51/94/63/530519463.db2.gz PHZGHEATIFAQOM-SECBINFHSA-N 0 3 378.292 0.981 20 0 GCADHN CN(CC(=O)N1CCCNCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000237323947 530519479 /nfs/dbraw/zinc/51/94/79/530519479.db2.gz LJNRMXYZLAMYRG-UHFFFAOYSA-N 0 3 390.303 0.892 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)[C@H](C)CN1 ZINC000237603103 530519923 /nfs/dbraw/zinc/51/99/23/530519923.db2.gz VZCQXMKAOFUKJE-RKDXNWHRSA-N 0 3 383.250 0.101 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000237642100 530519940 /nfs/dbraw/zinc/51/99/40/530519940.db2.gz YJYKXTDQVWXTJV-DTWKUNHWSA-N 0 3 376.276 0.919 20 0 GCADHN CCN1CCC[C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000330459795 530520010 /nfs/dbraw/zinc/52/00/10/530520010.db2.gz ZUXVSZYUJJQNNT-CYBMUJFWSA-N 0 3 375.516 0.605 20 0 GCADHN NCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000237951715 530520212 /nfs/dbraw/zinc/52/02/12/530520212.db2.gz VDUDEHSWQPFBQD-UHFFFAOYSA-N 0 3 396.694 0.894 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)C(F)(F)F ZINC000366381611 530520331 /nfs/dbraw/zinc/52/03/31/530520331.db2.gz VZMPSAXRXSXRIS-DGCLKSJQSA-N 0 3 386.440 0.546 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000366456176 530520744 /nfs/dbraw/zinc/52/07/44/530520744.db2.gz MGYWKXVXQOZHAR-UHFFFAOYSA-N 0 3 393.575 0.420 20 0 GCADHN C[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)CN1CCCCC1 ZINC000330494690 530521185 /nfs/dbraw/zinc/52/11/85/530521185.db2.gz PHNONDRTGTUFQZ-ZDUSSCGKSA-N 0 3 375.516 0.734 20 0 GCADHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 ZINC000330494779 530521191 /nfs/dbraw/zinc/52/11/91/530521191.db2.gz VMUGAZMOPLWHET-KBPBESRZSA-N 0 3 389.543 0.980 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)S(C)(=O)=O ZINC000330572551 530521935 /nfs/dbraw/zinc/52/19/35/530521935.db2.gz GHBCTWFEXWHEKC-SKDRFNHKSA-N 0 3 389.271 0.882 20 0 GCADHN CC(C)(C)[C@H](CO)NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000444701773 530546772 /nfs/dbraw/zinc/54/67/72/530546772.db2.gz IDSJFUWUEOBXTK-ILXRZTDVSA-N 0 3 376.519 0.178 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000334049084 530548782 /nfs/dbraw/zinc/54/87/82/530548782.db2.gz YSROCAHLTPYZSS-LSDHHAIUSA-N 0 3 376.523 0.163 20 0 GCADHN CC(C)O[C@@H]1C[C@@H](NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000567861522 530549322 /nfs/dbraw/zinc/54/93/22/530549322.db2.gz YTXOTDIWQSBGBR-JHJVBQTASA-N 0 3 375.491 0.181 20 0 GCADHN C[C@@H]1CCCCN1CCCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000330621931 530523337 /nfs/dbraw/zinc/52/33/37/530523337.db2.gz NBIOOGVOMHVURB-CYBMUJFWSA-N 0 3 375.516 0.877 20 0 GCADHN CC1CCN(CCCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000330673184 530523908 /nfs/dbraw/zinc/52/39/08/530523908.db2.gz OZLYJRWEEPXUJI-UHFFFAOYSA-N 0 3 375.516 0.734 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000330716523 530524146 /nfs/dbraw/zinc/52/41/46/530524146.db2.gz CAYSZVJJDUAHFH-HNNXBMFYSA-N 0 3 375.535 0.617 20 0 GCADHN COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000330813243 530525527 /nfs/dbraw/zinc/52/55/27/530525527.db2.gz BEJLGXCWRAFUNV-HNNXBMFYSA-N 0 3 375.535 0.475 20 0 GCADHN CC(C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)S(C)(=O)=O ZINC000330835119 530525734 /nfs/dbraw/zinc/52/57/34/530525734.db2.gz KJXOKCSVXCGUER-CYBMUJFWSA-N 0 3 388.511 0.530 20 0 GCADHN Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000563443967 530526420 /nfs/dbraw/zinc/52/64/20/530526420.db2.gz ZPLRLTHWRFFBBJ-AAEUAGOBSA-N 0 3 388.287 0.690 20 0 GCADHN O=C(Nc1cc(Br)ccc1N1CCOCC1)C(=O)NC1CNC1 ZINC000563478841 530526570 /nfs/dbraw/zinc/52/65/70/530526570.db2.gz UVCYBFPDANTCKE-UHFFFAOYSA-N 0 3 383.246 0.312 20 0 GCADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000366537842 530527925 /nfs/dbraw/zinc/52/79/25/530527925.db2.gz WVHKTPWWPPXWCR-QWRGUYRKSA-N 0 3 393.868 0.695 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000445745853 530550121 /nfs/dbraw/zinc/55/01/21/530550121.db2.gz UYTMIKQXCUYRBN-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000408447458 530528722 /nfs/dbraw/zinc/52/87/22/530528722.db2.gz FEQXBAKBERSZAV-ZNMIVQPWSA-N 0 3 381.564 0.593 20 0 GCADHN CC(C(=O)NCCNC(=O)c1ccc(Br)cn1)S(C)(=O)=O ZINC000617360274 530528768 /nfs/dbraw/zinc/52/87/68/530528768.db2.gz VBUKVFIASCXMLH-MRVPVSSYSA-N 0 3 378.248 0.123 20 0 GCADHN COCCNCCNC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000417434389 530550164 /nfs/dbraw/zinc/55/01/64/530550164.db2.gz NGQNHQKFQGBJOU-UHFFFAOYSA-N 0 3 387.278 0.714 20 0 GCADHN CN(CCCO)C1CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC1 ZINC000571297998 530529679 /nfs/dbraw/zinc/52/96/79/530529679.db2.gz AEUAHAKENKUXBO-UHFFFAOYSA-N 0 3 384.564 0.308 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(F)c(Br)c3)CCN2C1=O ZINC000566504397 530531189 /nfs/dbraw/zinc/53/11/89/530531189.db2.gz CNKBIZYLCJDJQY-JOYOIKCWSA-N 0 3 399.220 0.297 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)CCN2C1=O ZINC000566495079 530531598 /nfs/dbraw/zinc/53/15/98/530531598.db2.gz CMFNLOYDZRFFHR-QPUJVOFHSA-N 0 3 381.351 0.777 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)[N-]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000443291118 530531975 /nfs/dbraw/zinc/53/19/75/530531975.db2.gz REXOSJISBFABNX-LLVKDONJSA-N 0 3 377.488 0.445 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)[N-]CCCC[N@H+]1CCC[C@@H]1CO ZINC000443291118 530531977 /nfs/dbraw/zinc/53/19/77/530531977.db2.gz REXOSJISBFABNX-LLVKDONJSA-N 0 3 377.488 0.445 20 0 GCADHN COc1cc(F)c(S(=O)(=O)NCC2CCN(CCO)CC2)cc1OC ZINC000443299062 530532506 /nfs/dbraw/zinc/53/25/06/530532506.db2.gz WDEQVLFFJNYCQX-UHFFFAOYSA-N 0 3 376.450 0.826 20 0 GCADHN CC[C@H](C)[C@@H](O)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000566678999 530532647 /nfs/dbraw/zinc/53/26/47/530532647.db2.gz MURQVGXMVCTLKI-KBPBESRZSA-N 0 3 392.543 0.707 20 0 GCADHN COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC2CC[NH+](CCO)CC2)s1 ZINC000443302897 530532920 /nfs/dbraw/zinc/53/29/20/530532920.db2.gz FYFBNLYBDOLTBZ-UHFFFAOYSA-N 0 3 392.499 0.526 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)[C@H](CN)C1 ZINC000566728364 530533537 /nfs/dbraw/zinc/53/35/37/530533537.db2.gz MIOFHMUSWAUXIY-LLVKDONJSA-N 0 3 381.889 0.667 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000566915928 530535213 /nfs/dbraw/zinc/53/52/13/530535213.db2.gz QDQCQHHEWFLPNE-STQMWFEESA-N 0 3 375.516 0.733 20 0 GCADHN COCCCN1CCC(NC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 ZINC000443521751 530536614 /nfs/dbraw/zinc/53/66/14/530536614.db2.gz NLMSXCPQUVIRCD-UHFFFAOYSA-N 0 3 376.523 0.197 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000153583473 530536974 /nfs/dbraw/zinc/53/69/74/530536974.db2.gz MBWDVSMWQKDAAU-LBPRGKRZSA-N 0 3 398.305 0.925 20 0 GCADHN COCCOCCS(=O)(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000443788649 530538427 /nfs/dbraw/zinc/53/84/27/530538427.db2.gz ZOORDFDRGCTSHF-UHFFFAOYSA-N 0 3 378.535 0.992 20 0 GCADHN N[C@H]1C[C@H]2CN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)CCN2C1=O ZINC000567249943 530540048 /nfs/dbraw/zinc/54/00/48/530540048.db2.gz ZPOWUMSZVMQIJV-KWQFWETISA-N 0 3 378.376 0.101 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)C1(C)C ZINC000444130809 530542129 /nfs/dbraw/zinc/54/21/29/530542129.db2.gz MUBWLFFIYNWYGQ-PBHICJAKSA-N 0 3 375.535 0.791 20 0 GCADHN COCCCS(=O)(=O)N1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000331211888 530542348 /nfs/dbraw/zinc/54/23/48/530542348.db2.gz ZHHPIQDFTPXYNN-XHSDSOJGSA-N 0 3 375.535 0.758 20 0 GCADHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000331277544 530542845 /nfs/dbraw/zinc/54/28/45/530542845.db2.gz RWAGPQIWHRGRNC-MCIONIFRSA-N 0 3 389.543 0.979 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000425984437 530550753 /nfs/dbraw/zinc/55/07/53/530550753.db2.gz IAWMBYAZDIUBBY-MRXNPFEDSA-N 0 3 378.539 0.191 20 0 GCADHN COC[C@H](O)CNCCNS(=O)(=O)c1cc(C)ccc1Br ZINC000567494699 530543723 /nfs/dbraw/zinc/54/37/23/530543723.db2.gz ZCSJZOGNCLPFJF-LLVKDONJSA-N 0 3 381.292 0.633 20 0 GCADHN CS[C@@H]1CN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H]1N(C)C ZINC000425414457 530551632 /nfs/dbraw/zinc/55/16/32/530551632.db2.gz CXAXXISVQLJDJY-HZPDHXFCSA-N 0 3 385.555 0.684 20 0 GCADHN CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000446344066 530552316 /nfs/dbraw/zinc/55/23/16/530552316.db2.gz WJRBTFNXXFPJKZ-GXSJLCMTSA-N 0 3 375.388 0.501 20 0 GCADHN CC(C)N(CCCNC(=O)CN(C)CCN1CCCCC1)S(C)(=O)=O ZINC000649888397 530553027 /nfs/dbraw/zinc/55/30/27/530553027.db2.gz QMMZNUYQYXNSHB-UHFFFAOYSA-N 0 3 376.567 0.580 20 0 GCADHN O=C(NCCCNC(=O)c1ccc(Br)cc1)NC[C@@H]1CNCCO1 ZINC000417484256 530553391 /nfs/dbraw/zinc/55/33/91/530553391.db2.gz KMARJQCQHQJNPB-AWEZNQCLSA-N 0 3 399.289 0.857 20 0 GCADHN CN(C)CCSCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000446562047 530553575 /nfs/dbraw/zinc/55/35/75/530553575.db2.gz AAYISBYIAKQWLL-UHFFFAOYSA-N 0 3 387.527 0.941 20 0 GCADHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000468421042 530553944 /nfs/dbraw/zinc/55/39/44/530553944.db2.gz VFCNEUPBUWMAOH-ZNMIVQPWSA-N 0 3 383.580 0.554 20 0 GCADHN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000575003369 530555532 /nfs/dbraw/zinc/55/55/32/530555532.db2.gz LQOXETFPHIDFIL-JQWIXIFHSA-N 0 3 387.845 0.059 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(Br)cn1 ZINC000568287817 530557689 /nfs/dbraw/zinc/55/76/89/530557689.db2.gz LCNZIDBIJCUJJN-WCQGTBRESA-N 0 3 382.262 0.859 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)c(Br)c3)CCN2C1=O ZINC000568268445 530557721 /nfs/dbraw/zinc/55/77/21/530557721.db2.gz XLRRWCCZHGTWTF-PELKAZGASA-N 0 3 392.250 0.521 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3Br)CCN2C1=O ZINC000568283133 530557742 /nfs/dbraw/zinc/55/77/42/530557742.db2.gz FHLBYQHHDGOYSA-MWLCHTKSSA-N 0 3 399.220 0.297 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(F)c3)CCN2C1=O ZINC000568283531 530557760 /nfs/dbraw/zinc/55/77/60/530557760.db2.gz QPFBUCQRSHFXDM-JOYOIKCWSA-N 0 3 399.220 0.297 20 0 GCADHN CN(C)CCOc1ccc(NC(=O)[C@@H](N)CCS(C)(=O)=O)cc1Cl ZINC000498059351 530558190 /nfs/dbraw/zinc/55/81/90/530558190.db2.gz FASLKODCVKSSKC-ZDUSSCGKSA-N 0 3 377.894 0.981 20 0 GCADHN COCCNc1nc(N[C@@H]2CCS[C@@H]2C)nc(N[C@H]2CCS[C@@H]2C)n1 ZINC000645401110 530559400 /nfs/dbraw/zinc/55/94/00/530559400.db2.gz BGMCMMSGVVHCCC-LPWJVIDDSA-N 0 3 384.575 0.807 20 0 GCADHN O=C(Nc1cc(Br)cnc1OCC(F)(F)F)C(=O)NC1CNC1 ZINC000568487593 530559998 /nfs/dbraw/zinc/55/99/98/530559998.db2.gz UEFVIHBJKWFKBA-UHFFFAOYSA-N 0 3 397.151 0.812 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000265259940 530561183 /nfs/dbraw/zinc/56/11/83/530561183.db2.gz QNXCZZNBMQSVSV-ZDUSSCGKSA-N 0 3 375.516 0.652 20 0 GCADHN CN1CCN(S(=O)(=O)c2cccc(I)c2)[C@H](CN)C1 ZINC000568633611 530561755 /nfs/dbraw/zinc/56/17/55/530561755.db2.gz JWBQBUOIQOOJOH-LLVKDONJSA-N 0 3 395.266 0.555 20 0 GCADHN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CNCCO1 ZINC000568749347 530562372 /nfs/dbraw/zinc/56/23/72/530562372.db2.gz WKXQXLLOXKTOAH-UKRRQHHQSA-N 0 3 387.527 0.191 20 0 GCADHN COCCNCCNS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000193363524 530562881 /nfs/dbraw/zinc/56/28/81/530562881.db2.gz FEMOTTXUHILHLN-UHFFFAOYSA-N 0 3 379.276 0.898 20 0 GCADHN CC(C)CN1CCCC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447771033 530563393 /nfs/dbraw/zinc/56/33/93/530563393.db2.gz BWOFVWWOKQJTLN-OAHLLOKOSA-N 0 3 383.580 0.698 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc4c(c(Br)c3)OCO4)CCN2C1=O ZINC000568901722 530564394 /nfs/dbraw/zinc/56/43/94/530564394.db2.gz GYSQRJJXKMNUPF-MWLCHTKSSA-N 0 3 382.214 0.562 20 0 GCADHN CCN(C(=O)[C@@H](C)NCC(CC)(CC)C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000447891413 530564486 /nfs/dbraw/zinc/56/44/86/530564486.db2.gz QFJKXBQLQLWWGD-ZIAGYGMSSA-N 0 3 376.519 0.980 20 0 GCADHN CC(C)(C)N1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C(F)(F)F)C1 ZINC000568896550 530564653 /nfs/dbraw/zinc/56/46/53/530564653.db2.gz DGAUOMWPSXLHRN-VXGBXAGGSA-N 0 3 385.452 0.999 20 0 GCADHN C[C@@H](CCCCO)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000569103418 530566265 /nfs/dbraw/zinc/56/62/65/530566265.db2.gz HBPIBIMMRYFITQ-AWEZNQCLSA-N 0 3 392.543 0.851 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3OC(F)(F)F)CCN2C1=O ZINC000569238363 530568226 /nfs/dbraw/zinc/56/82/26/530568226.db2.gz PMJONDCJHIXMGF-NXEZZACHSA-N 0 3 379.360 0.518 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@]1(C)CCCO1 ZINC000569214553 530568659 /nfs/dbraw/zinc/56/86/59/530568659.db2.gz WCGJPDMLHANKNK-INIZCTEOSA-N 0 3 390.527 0.869 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000617504251 530571864 /nfs/dbraw/zinc/57/18/64/530571864.db2.gz MMZXKJIXZPZJSU-UONOGXRCSA-N 0 3 390.575 0.803 20 0 GCADHN O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NC[C@@H]1CNCCO1 ZINC000572881734 530572058 /nfs/dbraw/zinc/57/20/58/530572058.db2.gz HRICDHKVTYTJJG-JTQLQIEISA-N 0 3 381.376 0.088 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CCN1CCOCC1 ZINC000451168058 530573818 /nfs/dbraw/zinc/57/38/18/530573818.db2.gz WAAIOJRSUDCACJ-LLVKDONJSA-N 0 3 376.397 0.464 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518839940 530574136 /nfs/dbraw/zinc/57/41/36/530574136.db2.gz KPXGYVOWRDODBD-BPNCWPANSA-N 0 3 375.878 0.140 20 0 GCADHN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000367052623 530575900 /nfs/dbraw/zinc/57/59/00/530575900.db2.gz LNMJHFGZUOIZSB-ZDUSSCGKSA-N 0 3 396.289 0.631 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1C[NH2+]CCCO1 ZINC000573251118 530577382 /nfs/dbraw/zinc/57/73/82/530577382.db2.gz XRUYMEZUVQDNTH-JTQLQIEISA-N 0 3 396.296 0.766 20 0 GCADHN CCC(C)(C)NC(=O)C(C)S(=O)(=O)Cc1noc(CCC(=O)OC)n1 ZINC000609555101 530578876 /nfs/dbraw/zinc/57/88/76/530578876.db2.gz KBODAYAPUQOIQI-SNVBAGLBSA-N 0 3 375.447 0.783 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](NC(=O)NC)C1 ZINC000451397838 530579543 /nfs/dbraw/zinc/57/95/43/530579543.db2.gz CSHFITAPFKRJCJ-IUCAKERBSA-N 0 3 375.369 0.204 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](C)O[C@@H](COC)C1 ZINC000451447959 530580869 /nfs/dbraw/zinc/58/08/69/530580869.db2.gz SBVJEFAVWFVGOP-GMTAPVOTSA-N 0 3 377.381 0.936 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000451470629 530581594 /nfs/dbraw/zinc/58/15/94/530581594.db2.gz WPNIOPFSCLDOKL-NXEZZACHSA-N 0 3 395.421 0.709 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000518948584 530581868 /nfs/dbraw/zinc/58/18/68/530581868.db2.gz SGOSVSWZKSKLKR-OAHLLOKOSA-N 0 3 394.607 0.143 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000451476779 530582187 /nfs/dbraw/zinc/58/21/87/530582187.db2.gz GAAIBWGKZWYVKF-NWDGAFQWSA-N 0 3 390.424 0.853 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000451476780 530582309 /nfs/dbraw/zinc/58/23/09/530582309.db2.gz GAAIBWGKZWYVKF-RYUDHWBXSA-N 0 3 390.424 0.853 20 0 GCADHN COCCN(C(=O)CN[C@@H]1C[C@](C)(OC)C1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000451489227 530582371 /nfs/dbraw/zinc/58/23/71/530582371.db2.gz NOPMQZYBXPTTLC-CPUCHLNUSA-N 0 3 376.519 0.442 20 0 GCADHN COCCN(CCOC)S(=O)(=O)NCC1(N2CCCC2)CCOCC1 ZINC000519150959 530589079 /nfs/dbraw/zinc/58/90/79/530589079.db2.gz WCPKHBNVZRKRIG-UHFFFAOYSA-N 0 3 379.523 0.061 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C[C@@H]1O ZINC000574487578 530591758 /nfs/dbraw/zinc/59/17/58/530591758.db2.gz PIEVZUCVKVXVAM-RYUDHWBXSA-N 0 3 384.230 0.527 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(Br)s2)n1 ZINC000574660876 530593807 /nfs/dbraw/zinc/59/38/07/530593807.db2.gz KSHVVWNVQDEIRU-UHFFFAOYSA-N 0 3 387.307 0.798 20 0 GCADHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000536643397 530594595 /nfs/dbraw/zinc/59/45/95/530594595.db2.gz QJLVOQPQZIZJMP-HUUCEWRRSA-N 0 3 375.535 1.000 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNCCn1cccn1 ZINC000574832585 530595416 /nfs/dbraw/zinc/59/54/16/530595416.db2.gz ADNTUIPHSIGKPP-UHFFFAOYSA-N 0 3 386.499 0.197 20 0 GCADHN CCOC(=O)[C@@](C)(O)CN(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451989045 530595458 /nfs/dbraw/zinc/59/54/58/530595458.db2.gz NZHOECGBFNEWHF-HNNXBMFYSA-N 0 3 378.422 0.098 20 0 GCADHN CCS(=O)(=O)NCCCN(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451988354 530595554 /nfs/dbraw/zinc/59/55/54/530595554.db2.gz NHNOHUFHSRNJKQ-UHFFFAOYSA-N 0 3 397.494 0.113 20 0 GCADHN C[C@H](CN1CCOCC1)N(C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451995128 530595741 /nfs/dbraw/zinc/59/57/41/530595741.db2.gz XNHMSCZLDLDGLJ-CYBMUJFWSA-N 0 3 375.466 0.504 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@](CO)(COC)C1 ZINC000452023293 530596171 /nfs/dbraw/zinc/59/61/71/530596171.db2.gz NKOQWLJLQFYBAK-JQWIXIFHSA-N 0 3 377.381 0.531 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@](CO)(COC)C1 ZINC000452023298 530596299 /nfs/dbraw/zinc/59/62/99/530596299.db2.gz NKOQWLJLQFYBAK-ZYHUDNBSSA-N 0 3 377.381 0.531 20 0 GCADHN CCO[C@@H]1CCCC[C@H]1NCC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000452035868 530597496 /nfs/dbraw/zinc/59/74/96/530597496.db2.gz XZBQGQCYLWSNTH-BZUAXINKSA-N 0 3 376.519 0.586 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000519758417 530600153 /nfs/dbraw/zinc/60/01/53/530600153.db2.gz LBLBERGYLXWBFX-GFCCVEGCSA-N 0 3 375.878 0.524 20 0 GCADHN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000519827181 530601979 /nfs/dbraw/zinc/60/19/79/530601979.db2.gz MNAMYEJSHXFEPL-QWHCGFSZSA-N 0 3 375.516 0.875 20 0 GCADHN CO[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000575862899 530602208 /nfs/dbraw/zinc/60/22/08/530602208.db2.gz WKHGQJOYTNDJQI-ZIAGYGMSSA-N 0 3 390.527 0.868 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H]1CCCN1CCCO ZINC000452357735 530603097 /nfs/dbraw/zinc/60/30/97/530603097.db2.gz FILYUTPVKWWTTE-STQMWFEESA-N 0 3 375.516 0.378 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C3(S(C)(=O)=O)CCNCC3)CC2)cs1 ZINC000575925721 530603228 /nfs/dbraw/zinc/60/32/28/530603228.db2.gz ZDCKCUVWSHRBDF-UHFFFAOYSA-N 0 3 386.543 0.263 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2n[nH]cc2Br)CC1 ZINC000532255753 530603645 /nfs/dbraw/zinc/60/36/45/530603645.db2.gz WCNQXUJGSRLNTO-ZDUSSCGKSA-N 0 3 399.293 0.620 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3COc4ccc(Br)cc43)CCN2C1=O ZINC000576003655 530604591 /nfs/dbraw/zinc/60/45/91/530604591.db2.gz BGOKKBZRPGAXHZ-WCFLWFBJSA-N 0 3 380.242 0.696 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3COc4ccc(Br)cc43)CCN2C1=O ZINC000576003653 530604663 /nfs/dbraw/zinc/60/46/63/530604663.db2.gz BGOKKBZRPGAXHZ-RAIGVLPGSA-N 0 3 380.242 0.696 20 0 GCADHN CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC[C@@H]2CC[NH2+]C2)c1OC ZINC000576106745 530605794 /nfs/dbraw/zinc/60/57/94/530605794.db2.gz KKZKFNLKOZJUCF-JTQLQIEISA-N 0 3 375.878 0.986 20 0 GCADHN COCCN(Cc1cc(Br)cs1)C(=O)C(=O)NC1CNC1 ZINC000576212858 530606274 /nfs/dbraw/zinc/60/62/74/530606274.db2.gz BKIDYQCMVJGPOY-UHFFFAOYSA-N 0 3 376.276 0.574 20 0 GCADHN CN(CCNC(=O)NCc1nn(C)cc1I)C1CC1 ZINC000454635286 530611395 /nfs/dbraw/zinc/61/13/95/530611395.db2.gz DUHDOYKHQCFWOI-UHFFFAOYSA-N 0 3 377.230 0.918 20 0 GCADHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266239495 530612361 /nfs/dbraw/zinc/61/23/61/530612361.db2.gz VVBWGFRLFSOBEX-XJKSGUPXSA-N 0 3 389.543 0.898 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000329471076 530613054 /nfs/dbraw/zinc/61/30/54/530613054.db2.gz ZGIJRCXFONWTSD-CQSZACIVSA-N 0 3 390.531 0.346 20 0 GCADHN COCCCN(C)CCNC(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000608448501 530584386 /nfs/dbraw/zinc/58/43/86/530584386.db2.gz SFYHSQMTRITGHW-UHFFFAOYSA-N 0 3 376.454 0.241 20 0 GCADHN Cc1cc(Br)cn2cc(CCNC(=O)C(=O)NC3CNC3)nc12 ZINC000573823652 530584436 /nfs/dbraw/zinc/58/44/36/530584436.db2.gz MIOAYIBMGZXYRL-UHFFFAOYSA-N 0 3 380.246 0.152 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c(Br)c1 ZINC000573853879 530584498 /nfs/dbraw/zinc/58/44/98/530584498.db2.gz OPQUQZCQDTWOIC-SNVBAGLBSA-N 0 3 378.292 0.721 20 0 GCADHN CC(C)[C@H](CNC(=O)NC[C@H]1CS(=O)(=O)CCO1)N1CCC(C)CC1 ZINC000535787754 530585061 /nfs/dbraw/zinc/58/50/61/530585061.db2.gz DEJXGCJZYHXAIM-HOTGVXAUSA-N 0 3 375.535 0.856 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(Cl)c1 ZINC000574055165 530586064 /nfs/dbraw/zinc/58/60/64/530586064.db2.gz SFBKXJPPTZMMDV-ZYHUDNBSSA-N 0 3 387.845 0.059 20 0 GCADHN O=C(NCCOc1cccc(Cl)c1Cl)C(=O)NC[C@@H]1CNCCO1 ZINC000574025270 530586088 /nfs/dbraw/zinc/58/60/88/530586088.db2.gz MIUMFTLTTYRWBA-JTQLQIEISA-N 0 3 376.240 0.593 20 0 GCADHN CS[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cnc2C)C[C@H]1N1CCCC1 ZINC000577624600 530622424 /nfs/dbraw/zinc/62/24/24/530622424.db2.gz OWQYUGIZAHYEBZ-CABCVRRESA-N 0 3 384.527 0.689 20 0 GCADHN CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)CC1 ZINC000330036878 530624216 /nfs/dbraw/zinc/62/42/16/530624216.db2.gz CXBOOVKSRFANIS-CABCVRRESA-N 0 3 379.548 0.204 20 0 GCADHN CC(C)[C@H](CNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)N1CCC(C)CC1 ZINC000457672358 530624677 /nfs/dbraw/zinc/62/46/77/530624677.db2.gz BZZUBJQLQZBAFR-RDJZCZTQSA-N 0 3 375.535 0.592 20 0 GCADHN CCCCN(C(=O)CN[C@]1(CCOC)CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000577820986 530625037 /nfs/dbraw/zinc/62/50/37/530625037.db2.gz YEDYLPDGGRLSOE-DOTOQJQBSA-N 0 3 376.519 0.587 20 0 GCADHN CC[C@H]1CCCCN1CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330062218 530625465 /nfs/dbraw/zinc/62/54/65/530625465.db2.gz AOBDVZATOJISKU-INIZCTEOSA-N 0 3 395.591 0.842 20 0 GCADHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330063995 530625704 /nfs/dbraw/zinc/62/57/04/530625704.db2.gz BXJGHAONIAYONT-UKRRQHHQSA-N 0 3 381.564 0.260 20 0 GCADHN CSC1(CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CCN(C)CC1 ZINC000577909960 530625987 /nfs/dbraw/zinc/62/59/87/530625987.db2.gz NQKKZSZOTUEWOC-LBPRGKRZSA-N 0 3 389.547 0.031 20 0 GCADHN CC(C(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1)S(=O)(=O)C1CCOCC1 ZINC000330092177 530626208 /nfs/dbraw/zinc/62/62/08/530626208.db2.gz YKYCKUJTMIGGHQ-CPUCHLNUSA-N 0 3 375.487 0.765 20 0 GCADHN CC(C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1)S(=O)(=O)C1CCOCC1 ZINC000330092178 530626260 /nfs/dbraw/zinc/62/62/60/530626260.db2.gz YKYCKUJTMIGGHQ-JKIFEVAISA-N 0 3 375.487 0.765 20 0 GCADHN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330147886 530627449 /nfs/dbraw/zinc/62/74/49/530627449.db2.gz LYHBLEMOOHWSBE-OCCSQVGLSA-N 0 3 392.543 0.739 20 0 GCADHN CC(C(=O)N1CSC[C@@H]1C(=O)N1CCCC1)S(=O)(=O)C1CCOCC1 ZINC000330158420 530627930 /nfs/dbraw/zinc/62/79/30/530627930.db2.gz QAZMQSMDEVJGQO-GXTWGEPZSA-N 0 3 390.527 0.493 20 0 GCADHN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330147885 530627953 /nfs/dbraw/zinc/62/79/53/530627953.db2.gz LYHBLEMOOHWSBE-JSGCOSHPSA-N 0 3 392.543 0.739 20 0 GCADHN O=C(CCNC(=O)c1ccc(Br)cc1)NCCN1CC[C@H](O)C1 ZINC000629910305 530629264 /nfs/dbraw/zinc/62/92/64/530629264.db2.gz GSWQGBYCLJLBOU-AWEZNQCLSA-N 0 3 384.274 0.752 20 0 GCADHN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CNC3)cc2)C1 ZINC000577952125 530634188 /nfs/dbraw/zinc/63/41/88/530634188.db2.gz SAVMSCUZNMXOGH-CHWSQXEVSA-N 0 3 387.527 0.603 20 0 GCADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000331620439 530634668 /nfs/dbraw/zinc/63/46/68/530634668.db2.gz RCARNFCQORRZGM-RRFJBIMHSA-N 0 3 391.559 0.770 20 0 GCADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000331684997 530635232 /nfs/dbraw/zinc/63/52/32/530635232.db2.gz UTAFQDYPWVNMMR-CYBMUJFWSA-N 0 3 384.278 0.759 20 0 GCADHN CCN(CCO)CCNC(=O)NCc1nn(C)cc1I ZINC000459111509 530636245 /nfs/dbraw/zinc/63/62/45/530636245.db2.gz SSTVWHDXBDIZQX-UHFFFAOYSA-N 0 3 395.245 0.138 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(OCC(F)F)cc3)CCN2C1=O ZINC000583642253 530616838 /nfs/dbraw/zinc/61/68/38/530616838.db2.gz ULVYPOKULTVRRB-GXFFZTMASA-N 0 3 375.397 0.263 20 0 GCADHN CS[C@H]1CN(C(=O)CSCC(=O)N2CCOCC2)C[C@@H]1N1CCCC1 ZINC000329799588 530621206 /nfs/dbraw/zinc/62/12/06/530621206.db2.gz XXUJGVNVEOWISN-GJZGRUSLSA-N 0 3 387.571 0.617 20 0 GCADHN CS[C@@H]1CN(C(=O)CSCC(=O)N2CCOCC2)C[C@@H]1N1CCCC1 ZINC000329799590 530621237 /nfs/dbraw/zinc/62/12/37/530621237.db2.gz XXUJGVNVEOWISN-LSDHHAIUSA-N 0 3 387.571 0.617 20 0 GCADHN CCOC(=O)C[C@H](C)S(=O)(=O)C(C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000577513026 530621673 /nfs/dbraw/zinc/62/16/73/530621673.db2.gz JUOFSMTYBMTFJC-XQQFMLRXSA-N 0 3 397.515 0.167 20 0 GCADHN CC(C(=O)N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1)S(=O)(=O)C1CCOCC1 ZINC000329866638 530622036 /nfs/dbraw/zinc/62/20/36/530622036.db2.gz VBTZGQJDTZHEEB-XJIUQZFPSA-N 0 3 375.487 0.764 20 0 GCADHN CN(C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)C1 ZINC000461547073 530644406 /nfs/dbraw/zinc/64/44/06/530644406.db2.gz RZUIBKXXQDBXKO-LSDHHAIUSA-N 0 3 375.539 0.383 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)C2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000332593125 530648983 /nfs/dbraw/zinc/64/89/83/530648983.db2.gz HDGDHAOWCADMDQ-GJZGRUSLSA-N 0 3 375.535 0.664 20 0 GCADHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C ZINC000349481767 530650128 /nfs/dbraw/zinc/65/01/28/530650128.db2.gz PBBVJNMWJHFJHP-LSDHHAIUSA-N 0 3 395.591 0.983 20 0 GCADHN CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](N)CC(F)F)c2)CC1 ZINC000498205468 530652022 /nfs/dbraw/zinc/65/20/22/530652022.db2.gz RFCUOSMQTWTQQT-ZDUSSCGKSA-N 0 3 376.429 0.544 20 0 GCADHN CCCN(CCC)S(=O)(=O)N1CCN(CCN2CCCOCC2)CC1 ZINC000463211748 530656259 /nfs/dbraw/zinc/65/62/59/530656259.db2.gz QRGDEVOBOHXBRF-UHFFFAOYSA-N 0 3 376.567 0.693 20 0 GCADHN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@H](N)CC(F)F)CC1 ZINC000498217871 530659130 /nfs/dbraw/zinc/65/91/30/530659130.db2.gz XSRQKGNCFFXRSB-CYBMUJFWSA-N 0 3 382.477 0.622 20 0 GCADHN C[C@@](CO)(NCC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC000639494807 530663491 /nfs/dbraw/zinc/66/34/91/530663491.db2.gz MFZOBZGHEPVVPY-KRWDZBQOSA-N 0 3 375.535 0.448 20 0 GCADHN C[C@](CO)(NCC(=O)NC1CCN(S(C)(=O)=O)CC1)C1CCCCC1 ZINC000639494808 530663700 /nfs/dbraw/zinc/66/37/00/530663700.db2.gz MFZOBZGHEPVVPY-QGZVFWFLSA-N 0 3 375.535 0.448 20 0 GCADHN CN1CCC(CNS(=O)(=O)C[C@H]2CCCCO2)(N2CCOCC2)CC1 ZINC000333931178 530664427 /nfs/dbraw/zinc/66/44/27/530664427.db2.gz ZVFGGISHFBBTFM-MRXNPFEDSA-N 0 3 375.535 0.272 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000670997396 530671291 /nfs/dbraw/zinc/67/12/91/530671291.db2.gz DHYXSSSLSBMDMP-GFCCVEGCSA-N 0 3 387.527 0.758 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c(C(=O)OC)s1 ZINC000532775608 530673277 /nfs/dbraw/zinc/67/32/77/530673277.db2.gz USRMFNTWSWMRNJ-JTQLQIEISA-N 0 3 390.483 0.941 20 0 GCADHN CCN(CCCNC(=O)NC[C@@H](O)CN1CCC(C)CC1)S(C)(=O)=O ZINC000067630626 530673924 /nfs/dbraw/zinc/67/39/24/530673924.db2.gz POERVPIFRVGQOW-OAHLLOKOSA-N 0 3 378.539 0.050 20 0 GCADHN CN1CCN(CCCCNC(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000527040159 530677076 /nfs/dbraw/zinc/67/70/76/530677076.db2.gz HVLXIOBFKMBXPI-UHFFFAOYSA-N 0 3 388.559 0.978 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000192921319 530677621 /nfs/dbraw/zinc/67/76/21/530677621.db2.gz GSUUBLUCHWQCAS-GFCCVEGCSA-N 0 3 398.305 0.925 20 0 GCADHN CCC[C@@]1(COC)CCCN1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639616420 530679050 /nfs/dbraw/zinc/67/90/50/530679050.db2.gz WIMQYCHTSIUIOF-KRWDZBQOSA-N 0 3 375.535 0.808 20 0 GCADHN CCC1(CC)[C@H](NCC(=O)NC2CCN(S(C)(=O)=O)CC2)C[C@@H]1OC ZINC000639613033 530679437 /nfs/dbraw/zinc/67/94/37/530679437.db2.gz PMKKWWOPRFTQIU-CABCVRRESA-N 0 3 375.535 0.710 20 0 GCADHN O=S(=O)(NCc1cn(CCSc2ccccc2)nn1)N1CCNCC1 ZINC000640939824 530686322 /nfs/dbraw/zinc/68/63/22/530686322.db2.gz FJKYTIAYDDIXBH-UHFFFAOYSA-N 0 3 382.515 0.310 20 0 GCADHN C[C@@H](CO)N1CCCN(C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000470048840 530692791 /nfs/dbraw/zinc/69/27/91/530692791.db2.gz VFAZKFNZHYPWKT-ZDUSSCGKSA-N 0 3 386.290 0.916 20 0 GCADHN CC(C)[C@H](C(=O)NCCCN1CCCO[C@H](C)C1)N1CCCS1(=O)=O ZINC000470103122 530692799 /nfs/dbraw/zinc/69/27/99/530692799.db2.gz YHAQORSDMFXEQY-HZPDHXFCSA-N 0 3 375.535 0.664 20 0 GCADHN CC(C)[C@@H](C(=O)NCCCN1CCCO[C@H](C)C1)N1CCCS1(=O)=O ZINC000470103118 530692903 /nfs/dbraw/zinc/69/29/03/530692903.db2.gz YHAQORSDMFXEQY-CVEARBPZSA-N 0 3 375.535 0.664 20 0 GCADHN CN1CCN(S(=O)(=O)CCCS(=O)(=O)NCC2CC2)c2cnccc21 ZINC000349560444 530693645 /nfs/dbraw/zinc/69/36/45/530693645.db2.gz BBBCMSVCGLQGGJ-UHFFFAOYSA-N 0 3 388.515 0.387 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)CCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000367242303 530695877 /nfs/dbraw/zinc/69/58/77/530695877.db2.gz YSBGYIWNRDZBFU-GJZGRUSLSA-N 0 3 375.535 0.616 20 0 GCADHN CC[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349568935 530697980 /nfs/dbraw/zinc/69/79/80/530697980.db2.gz AMNQWVWHERZDDO-CYBMUJFWSA-N 0 3 390.531 0.776 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NCCOCCN(C)C)s1 ZINC000471647370 530700481 /nfs/dbraw/zinc/70/04/81/530700481.db2.gz PNDLVHUGXUMBSR-UHFFFAOYSA-N 0 3 378.520 0.212 20 0 GCADHN C[NH+](C)CCOCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000471626643 530700991 /nfs/dbraw/zinc/70/09/91/530700991.db2.gz KCNXDMZOUOTMCQ-UHFFFAOYSA-N 0 3 383.467 0.054 20 0 GCADHN CCN(CC)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349574805 530701032 /nfs/dbraw/zinc/70/10/32/530701032.db2.gz NCYGPSATWPGLNY-UHFFFAOYSA-N 0 3 390.531 0.729 20 0 GCADHN Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)C)c2c(n1)CCCC2 ZINC000349575497 530701206 /nfs/dbraw/zinc/70/12/06/530701206.db2.gz OUSSPUOWPBLMCH-UHFFFAOYSA-N 0 3 375.516 0.714 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccs1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000361272766 530702762 /nfs/dbraw/zinc/70/27/62/530702762.db2.gz RQLUBPZSLZEQSS-OLZOCXBDSA-N 0 3 388.515 0.189 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccs1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000361272915 530702981 /nfs/dbraw/zinc/70/29/81/530702981.db2.gz RQLUBPZSLZEQSS-STQMWFEESA-N 0 3 388.515 0.189 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1nc2ncc(Br)cn2n1 ZINC000363105235 530709874 /nfs/dbraw/zinc/70/98/74/530709874.db2.gz UQEMKRVXPXJRHB-GHMZBOCLSA-N 0 3 381.234 0.480 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349593354 530710287 /nfs/dbraw/zinc/71/02/87/530710287.db2.gz PNRLAFAEQDHKIN-GXTWGEPZSA-N 0 3 393.535 0.334 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000473261694 530711187 /nfs/dbraw/zinc/71/11/87/530711187.db2.gz GOHYIBDVWPYHHK-MRXNPFEDSA-N 0 3 386.290 0.998 20 0 GCADHN CN1CCN(S(=O)(=O)CCCS(=O)(=O)NC2CCC2)c2cnccc21 ZINC000349603182 530716015 /nfs/dbraw/zinc/71/60/15/530716015.db2.gz MUSBIQIYVRPXLD-UHFFFAOYSA-N 0 3 388.515 0.530 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000367797144 530716335 /nfs/dbraw/zinc/71/63/35/530716335.db2.gz JDPZCMUVTRFKOE-GWCFXTLKSA-N 0 3 377.463 0.570 20 0 GCADHN CC(=O)OCCCS(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000367874761 530717073 /nfs/dbraw/zinc/71/70/73/530717073.db2.gz PUEFOBBNZRQAKG-UHFFFAOYSA-N 0 3 375.535 0.619 20 0 GCADHN CN(C)c1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CCOC2)ccn1 ZINC000349606425 530717622 /nfs/dbraw/zinc/71/76/22/530717622.db2.gz XDZYSUDHOKSRFU-UHFFFAOYSA-N 0 3 392.503 0.289 20 0 GCADHN O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1nc2cc(Br)cnc2[n-]1 ZINC000571676376 530684747 /nfs/dbraw/zinc/68/47/47/530684747.db2.gz UCVVNRZGKZLSTP-SECBINFHSA-N 0 3 381.234 0.205 20 0 GCADHN COc1cc(OC)c(S(=O)(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1Cl ZINC000658408286 530684733 /nfs/dbraw/zinc/68/47/33/530684733.db2.gz DNOXEGOMGAHRSF-UHFFFAOYSA-N 0 3 388.833 0.790 20 0 GCADHN O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1nc2cc(Br)cnc2[n-]1 ZINC000571676377 530684796 /nfs/dbraw/zinc/68/47/96/530684796.db2.gz UCVVNRZGKZLSTP-VIFPVBQESA-N 0 3 381.234 0.205 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000579007832 530737954 /nfs/dbraw/zinc/73/79/54/530737954.db2.gz BAFICXYLONDPKR-WDEREUQCSA-N 0 3 390.303 0.936 20 0 GCADHN C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)[C@@H](C)CN1 ZINC000579007830 530738205 /nfs/dbraw/zinc/73/82/05/530738205.db2.gz BAFICXYLONDPKR-MNOVXSKESA-N 0 3 390.303 0.936 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1F ZINC000370100814 530738410 /nfs/dbraw/zinc/73/84/10/530738410.db2.gz HYBYWCQQRNEUMQ-QMTHXVAHSA-N 0 3 377.463 0.570 20 0 GCADHN C[C@H]1CN(CCCNC(=O)N2CCCN(S(C)(=O)=O)CC2)CCCO1 ZINC000370133994 530738938 /nfs/dbraw/zinc/73/89/38/530738938.db2.gz USDUCJUGRONQIV-HNNXBMFYSA-N 0 3 376.523 0.164 20 0 GCADHN CCCCN(C)CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000477027538 530739128 /nfs/dbraw/zinc/73/91/28/530739128.db2.gz CKPXJALSEIGZTL-UHFFFAOYSA-N 0 3 377.532 0.616 20 0 GCADHN CCCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000498382932 530741018 /nfs/dbraw/zinc/74/10/18/530741018.db2.gz NPFKBCWPJVHRPB-GFCCVEGCSA-N 0 3 376.500 0.766 20 0 GCADHN COCCN(C)C[C@@H](O)Cn1nc(C)c(S(=O)(=O)NC(C)(C)C)c1C ZINC000579374044 530742480 /nfs/dbraw/zinc/74/24/80/530742480.db2.gz KRFNJFIQQCXBHV-CQSZACIVSA-N 0 3 376.523 0.516 20 0 GCADHN CC1(C)CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CCN1 ZINC000477355763 530742517 /nfs/dbraw/zinc/74/25/17/530742517.db2.gz VVYDTDPIBFPQKD-UHFFFAOYSA-N 0 3 396.332 0.999 20 0 GCADHN C[C@@H](Cn1cc(Br)cn1)NCCNS(=O)(=O)c1cccnc1 ZINC000181515023 530743499 /nfs/dbraw/zinc/74/34/99/530743499.db2.gz ZCZMMIIFNOLGHP-NSHDSACASA-N 0 3 388.291 0.997 20 0 GCADHN C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000477451955 530743558 /nfs/dbraw/zinc/74/35/58/530743558.db2.gz LKZYKKYOYZIVAV-GJZGRUSLSA-N 0 3 395.591 0.840 20 0 GCADHN C[C@H](Cn1cc(Br)cn1)NCCNS(=O)(=O)c1cccnc1 ZINC000181515041 530743785 /nfs/dbraw/zinc/74/37/85/530743785.db2.gz ZCZMMIIFNOLGHP-LLVKDONJSA-N 0 3 388.291 0.997 20 0 GCADHN CS(=O)(=O)c1cc(Br)cc(C(=O)N2CCO[C@@H](CN)C2)c1F ZINC000368414580 530722788 /nfs/dbraw/zinc/72/27/88/530722788.db2.gz XVSDDFHFFKHZCM-VIFPVBQESA-N 0 3 395.250 0.791 20 0 GCADHN O=S(=O)(NC[C@@H]1C[C@H](F)CN1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000368636001 530725496 /nfs/dbraw/zinc/72/54/96/530725496.db2.gz GSPHEQSIVSWFTD-JQWIXIFHSA-N 0 3 377.463 0.106 20 0 GCADHN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000368639970 530725593 /nfs/dbraw/zinc/72/55/93/530725593.db2.gz ZHVCHYVRYLTJTH-QWRGUYRKSA-N 0 3 383.367 0.957 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H](C(F)(F)F)O1 ZINC000671071694 530744340 /nfs/dbraw/zinc/74/43/40/530744340.db2.gz KUGMSUGREQRXQE-GYSYKLTISA-N 0 3 383.436 0.718 20 0 GCADHN O=C(NCCN1CCCCC1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000476459170 530733370 /nfs/dbraw/zinc/73/33/70/530733370.db2.gz NNHMOGWLMMBKSN-OAHLLOKOSA-N 0 3 376.523 0.260 20 0 GCADHN O=C1NC(=O)[C@@H]2CN(C[C@@H](O)COc3cc(F)cc(Br)c3)C[C@H]12 ZINC000578605272 530733651 /nfs/dbraw/zinc/73/36/51/530733651.db2.gz ACGQSWYQFGNPEY-RTXFEEFZSA-N 0 3 387.205 0.532 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000654432837 530749983 /nfs/dbraw/zinc/74/99/83/530749983.db2.gz JPANUIDJQPMNFO-UHFFFAOYSA-N 0 3 392.591 0.881 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1Br ZINC000580785077 530750419 /nfs/dbraw/zinc/75/04/19/530750419.db2.gz NLPAXDAFNKBGTN-ZWNOBZJWSA-N 0 3 388.287 0.690 20 0 GCADHN CC1(NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000418169634 530750551 /nfs/dbraw/zinc/75/05/51/530750551.db2.gz NDEPTTFSPGOZMY-UHFFFAOYSA-N 0 3 376.429 0.684 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N[C@@H]1CCC[NH2+]C1 ZINC000418174125 530751548 /nfs/dbraw/zinc/75/15/48/530751548.db2.gz QXURZFVKYBSIHE-LLVKDONJSA-N 0 3 378.857 0.809 20 0 GCADHN CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@@H](CN)C1 ZINC000478614956 530751603 /nfs/dbraw/zinc/75/16/03/530751603.db2.gz JUOUWRLHBZREMM-LBPRGKRZSA-N 0 3 382.891 0.233 20 0 GCADHN O=C1CNC(=O)N1CCNC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000580887904 530751766 /nfs/dbraw/zinc/75/17/66/530751766.db2.gz FHDONPNJFUUMOL-NSHDSACASA-N 0 3 390.209 0.469 20 0 GCADHN O=C(NC[C@H](O)COc1ccccc1Br)[C@H]1CN2CCN1CCC2 ZINC000371297616 530751776 /nfs/dbraw/zinc/75/17/76/530751776.db2.gz MKRFDHNRLHWLJL-DZGCQCFKSA-N 0 3 398.301 0.695 20 0 GCADHN O=C1CNC(=O)N1CCNC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000580887903 530752125 /nfs/dbraw/zinc/75/21/25/530752125.db2.gz FHDONPNJFUUMOL-LLVKDONJSA-N 0 3 390.209 0.469 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000580904065 530752341 /nfs/dbraw/zinc/75/23/41/530752341.db2.gz ZVCNGLZTPMEAEQ-GZMMTYOYSA-N 0 3 379.360 0.360 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(Br)c1 ZINC000580963209 530752647 /nfs/dbraw/zinc/75/26/47/530752647.db2.gz MPACUXALOOCUNH-ZYHUDNBSSA-N 0 3 388.287 0.690 20 0 GCADHN [NH3+]C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCO1 ZINC000581071670 530754138 /nfs/dbraw/zinc/75/41/38/530754138.db2.gz MZPJKXHHFODRLS-SNVBAGLBSA-N 0 3 396.296 0.848 20 0 GCADHN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CNCCO1 ZINC000418227938 530754213 /nfs/dbraw/zinc/75/42/13/530754213.db2.gz DFSHHMOLSCSSKS-ZDUSSCGKSA-N 0 3 375.878 0.791 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000479291231 530756677 /nfs/dbraw/zinc/75/66/77/530756677.db2.gz ZFLYCKZQESMKTR-LLVKDONJSA-N 0 3 388.237 0.516 20 0 GCADHN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581321785 530757182 /nfs/dbraw/zinc/75/71/82/530757182.db2.gz YNVPNVPGHOAKSG-VHRBIJSZSA-N 0 3 382.258 0.987 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc2c(c1)OCO2 ZINC000479659308 530758283 /nfs/dbraw/zinc/75/82/83/530758283.db2.gz IZBZOTTTYSXFHK-CMPLNLGQSA-N 0 3 389.451 0.022 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)CCN2C1=O ZINC000582312401 530758789 /nfs/dbraw/zinc/75/87/89/530758789.db2.gz WWDNCBPTQFPWKP-PELKAZGASA-N 0 3 381.351 0.777 20 0 GCADHN COCC[C@@H](C)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000641600183 530759967 /nfs/dbraw/zinc/75/99/67/530759967.db2.gz HDFVFNIBLSHPOY-OAGGEKHMSA-N 0 3 377.551 0.908 20 0 GCADHN COC[C@H](C)CS(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000641601363 530760505 /nfs/dbraw/zinc/76/05/05/530760505.db2.gz XFNFEOKVRBUZPP-JYJNAYRXSA-N 0 3 377.551 0.766 20 0 GCADHN O=C1N[C@@H]2CCCC[C@@H]2CC1S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000581677963 530761989 /nfs/dbraw/zinc/76/19/89/530761989.db2.gz VJKNWDWMHVBHGR-BBBLOLIVSA-N 0 3 381.380 0.598 20 0 GCADHN COCCN1CCC(NC(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000372073009 530762010 /nfs/dbraw/zinc/76/20/10/530762010.db2.gz SUFGVSNKYSOEQP-HNNXBMFYSA-N 0 3 376.523 0.209 20 0 GCADHN COCCN(CCOC)S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000372075788 530762102 /nfs/dbraw/zinc/76/21/02/530762102.db2.gz RSMNWWVVBLWCPJ-DOTOQJQBSA-N 0 3 375.535 0.775 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCCn2cc(Br)ccc2=O)C[C@H](C)O1 ZINC000581880234 530763760 /nfs/dbraw/zinc/76/37/60/530763760.db2.gz YBOSZUJCMAFVNC-VNHYZAJKSA-N 0 3 388.306 0.671 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1Cl ZINC000579853149 530747849 /nfs/dbraw/zinc/74/78/49/530747849.db2.gz DRABNKPFOFPIEJ-PWSUYJOCSA-N 0 3 386.861 0.096 20 0 GCADHN [NH3+]C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CC1 ZINC000418159898 530749039 /nfs/dbraw/zinc/74/90/39/530749039.db2.gz RPCYIPUDYFLUIC-GFCCVEGCSA-N 0 3 378.857 0.794 20 0 GCADHN COc1cc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Cl ZINC000579973108 530749538 /nfs/dbraw/zinc/74/95/38/530749538.db2.gz WBBGRYPVBJAJNE-ONGXEEELSA-N 0 3 389.861 0.290 20 0 GCADHN C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000615623483 530770632 /nfs/dbraw/zinc/77/06/32/530770632.db2.gz OMTPEUFKZBUFDN-HNNXBMFYSA-N 0 3 385.262 0.656 20 0 GCADHN C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000615623483 530770634 /nfs/dbraw/zinc/77/06/34/530770634.db2.gz OMTPEUFKZBUFDN-HNNXBMFYSA-N 0 3 385.262 0.656 20 0 GCADHN CCCN(CC)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 ZINC000480773440 530770545 /nfs/dbraw/zinc/77/05/45/530770545.db2.gz YZEOXCRWONTQBQ-UHFFFAOYSA-N 0 3 377.532 0.913 20 0 GCADHN O=C(NCCNC[C@@H](O)COc1cccc(Br)c1)c1cnccn1 ZINC000581997998 530770792 /nfs/dbraw/zinc/77/07/92/530770792.db2.gz NWHPKQUEVDUNKM-CYBMUJFWSA-N 0 3 395.257 0.998 20 0 GCADHN C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000615623484 530770961 /nfs/dbraw/zinc/77/09/61/530770961.db2.gz OMTPEUFKZBUFDN-OAHLLOKOSA-N 0 3 385.262 0.656 20 0 GCADHN C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000615623484 530770965 /nfs/dbraw/zinc/77/09/65/530770965.db2.gz OMTPEUFKZBUFDN-OAHLLOKOSA-N 0 3 385.262 0.656 20 0 GCADHN CCCCNC(=O)[C@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481203775 530776519 /nfs/dbraw/zinc/77/65/19/530776519.db2.gz FCWDTTMJVAYCTE-TZMCWYRMSA-N 0 3 392.543 0.787 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1F ZINC000373060193 530776638 /nfs/dbraw/zinc/77/66/38/530776638.db2.gz WJFMEJDLBGXGCW-NHYWBVRUSA-N 0 3 391.490 0.960 20 0 GCADHN CCOC(=O)CN(CC(F)(F)F)C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481240465 530777006 /nfs/dbraw/zinc/77/70/06/530777006.db2.gz YMPCATCTHSKPDB-SNVBAGLBSA-N 0 3 389.392 0.923 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@H]1CCCN1C1CCCCC1 ZINC000373903633 530787628 /nfs/dbraw/zinc/78/76/28/530787628.db2.gz LOZQFAUNGRYKOZ-MRXNPFEDSA-N 0 3 395.591 0.984 20 0 GCADHN CC(C(=O)N1CCC(C)CC1)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481474245 530778406 /nfs/dbraw/zinc/77/84/06/530778406.db2.gz AKDSYRCPNFRYNW-LBPRGKRZSA-N 0 3 388.515 0.795 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1Cl ZINC000045295469 530779585 /nfs/dbraw/zinc/77/95/85/530779585.db2.gz IXOGMRQJYDCECX-PWSUYJOCSA-N 0 3 379.887 0.947 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)C1CCOCC1)[C@H](C)CS(=O)(=O)CC ZINC000481892035 530782166 /nfs/dbraw/zinc/78/21/66/530782166.db2.gz LXOGXFPSTHGCEN-CHWSQXEVSA-N 0 3 383.532 0.640 20 0 GCADHN CN1CCN(CC2CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000057066034 530782586 /nfs/dbraw/zinc/78/25/86/530782586.db2.gz NPKRYCTWGADAES-MRXNPFEDSA-N 0 3 389.587 0.393 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)Cn3cc(Br)ccc3=O)C2)nn1 ZINC000582419696 530784749 /nfs/dbraw/zinc/78/47/49/530784749.db2.gz AXGZUGHDJAAINI-ZDUSSCGKSA-N 0 3 395.261 0.525 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCC[N@H+](C)CCOC)s1 ZINC000061632118 530785302 /nfs/dbraw/zinc/78/53/02/530785302.db2.gz IKHGQPFSIJUKBN-UHFFFAOYSA-N 0 3 378.520 0.424 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCC[N@@H+](C)CCOC)s1 ZINC000061632118 530785305 /nfs/dbraw/zinc/78/53/05/530785305.db2.gz IKHGQPFSIJUKBN-UHFFFAOYSA-N 0 3 378.520 0.424 20 0 GCADHN CCS(=O)(=O)NCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000061987353 530786128 /nfs/dbraw/zinc/78/61/28/530786128.db2.gz GCFREOQSIGIOEX-UHFFFAOYSA-N 0 3 378.564 0.587 20 0 GCADHN CN(C)[C@]1(CNC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CCSC1 ZINC000482813259 530786468 /nfs/dbraw/zinc/78/64/68/530786468.db2.gz FUYVMWPBGUZOJO-WFASDCNBSA-N 0 3 387.531 0.802 20 0 GCADHN O=C(NCCN1CCCS1(=O)=O)NCC1(N2CCSCC2)CCCC1 ZINC000064254130 530786685 /nfs/dbraw/zinc/78/66/85/530786685.db2.gz UHZNKUBRRFGBLB-UHFFFAOYSA-N 0 3 390.575 0.683 20 0 GCADHN CN(C)[C@]1(CNC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CCSC1 ZINC000482813256 530786857 /nfs/dbraw/zinc/78/68/57/530786857.db2.gz FUYVMWPBGUZOJO-DOMZBBRYSA-N 0 3 387.531 0.802 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2(N(C)C)CCC2)cc1C ZINC000480332737 530764738 /nfs/dbraw/zinc/76/47/38/530764738.db2.gz HCNZXUIXVISZFE-UHFFFAOYSA-N 0 3 375.516 0.666 20 0 GCADHN CC(C)[C@H](CNC(=O)C(C)S(=O)(=O)C1CCOCC1)N1CCOCC1 ZINC000480420971 530764876 /nfs/dbraw/zinc/76/48/76/530764876.db2.gz XXDAHQOYHCBPRT-HOCLYGCPSA-N 0 3 376.519 0.442 20 0 GCADHN O=C(NCCNC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(Br)cc1 ZINC000372360608 530767255 /nfs/dbraw/zinc/76/72/55/530767255.db2.gz YIXPFMLGMKIJEO-HNNXBMFYSA-N 0 3 395.301 0.685 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000480637177 530767572 /nfs/dbraw/zinc/76/75/72/530767572.db2.gz BBMYZSMSYSNXQX-GXTWGEPZSA-N 0 3 392.547 0.258 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)CC1 ZINC000480664857 530768823 /nfs/dbraw/zinc/76/88/23/530768823.db2.gz XHDZUCJBOXNVGK-PMPSAXMXSA-N 0 3 375.535 0.521 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2cccnc2-n2cc(Br)cn2)C[C@@H]1O ZINC000655096204 530800369 /nfs/dbraw/zinc/80/03/69/530800369.db2.gz KLYLIUZRCGWCMJ-STQMWFEESA-N 0 3 380.246 0.777 20 0 GCADHN [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418175337 530801674 /nfs/dbraw/zinc/80/16/74/530801674.db2.gz SVRPACPMPXCXGO-VXGBXAGGSA-N 0 3 376.429 0.812 20 0 GCADHN CC(C)O[C@@]1(CS(=O)(=O)NCCCCN2CCC[C@@H]2CO)CCOC1 ZINC000659915033 530803718 /nfs/dbraw/zinc/80/37/18/530803718.db2.gz NTBGKVMUAOYVBL-SJORKVTESA-N 0 3 378.535 0.727 20 0 GCADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)CCOC(C)C)C[C@@H]1N1CCCC1 ZINC000483410588 530790018 /nfs/dbraw/zinc/79/00/18/530790018.db2.gz QZBNNQXXNQOMEP-LSDHHAIUSA-N 0 3 393.575 0.369 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1Cl ZINC000654899423 530792024 /nfs/dbraw/zinc/79/20/24/530792024.db2.gz KSXATZVNBFIRLR-CYBMUJFWSA-N 0 3 387.889 0.971 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)Cc1cc(S(N)(=O)=O)cn1C ZINC000486770269 530807378 /nfs/dbraw/zinc/80/73/78/530807378.db2.gz HKYLRHVDCHUILL-UHFFFAOYSA-N 0 3 384.527 0.867 20 0 GCADHN COCCOCCOCCS(=O)(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000374720092 530795395 /nfs/dbraw/zinc/79/53/95/530795395.db2.gz XBQORWINXUGZIS-KRWDZBQOSA-N 0 3 378.535 0.946 20 0 GCADHN CN(C)[C@]1(CNC(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CCSC1 ZINC000498579386 530827688 /nfs/dbraw/zinc/82/76/88/530827688.db2.gz GJYBHPSVPUWAOZ-YDHLFZDLSA-N 0 3 378.564 0.583 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC000490416083 530828302 /nfs/dbraw/zinc/82/83/02/530828302.db2.gz KFMSLPCLXAQYPH-AWEZNQCLSA-N 0 3 392.547 0.117 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](N(C)C)C1 ZINC000490435448 530828388 /nfs/dbraw/zinc/82/83/88/530828388.db2.gz CWRXOZHUIKRUTF-ZDUSSCGKSA-N 0 3 375.516 0.700 20 0 GCADHN COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000490750419 530830191 /nfs/dbraw/zinc/83/01/91/530830191.db2.gz IMUDMJAQVQRFIF-NSHDSACASA-N 0 3 388.262 0.743 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000378011014 530832831 /nfs/dbraw/zinc/83/28/31/530832831.db2.gz WZZRESFOFIUTMK-WDEREUQCSA-N 0 3 377.463 0.427 20 0 GCADHN CCN1CCC[C@H]1CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000491284352 530833021 /nfs/dbraw/zinc/83/30/21/530833021.db2.gz PGYHAHRUOSADOQ-AWEZNQCLSA-N 0 3 375.516 0.369 20 0 GCADHN CCOCCCNC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000492077197 530835945 /nfs/dbraw/zinc/83/59/45/530835945.db2.gz CBAHUQHYUXTBHX-NSHDSACASA-N 0 3 392.503 0.080 20 0 GCADHN CC(C(=O)N[C@@H]1CCOc2ccccc21)S(=O)(=O)CCCS(C)(=O)=O ZINC000492129960 530836172 /nfs/dbraw/zinc/83/61/72/530836172.db2.gz XXMWUDRKPWVALC-TZMCWYRMSA-N 0 3 389.495 0.864 20 0 GCADHN C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000618993019 530809571 /nfs/dbraw/zinc/80/95/71/530809571.db2.gz WMHUFIRDSOGZBI-NSHDSACASA-N 0 3 387.278 0.948 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000486920736 530809735 /nfs/dbraw/zinc/80/97/35/530809735.db2.gz UGYQGRUVQSZASG-LLVKDONJSA-N 0 3 376.445 0.790 20 0 GCADHN CS[C@@H]1CN(C(=O)Cc2cc(S(N)(=O)=O)cn2C)C[C@H]1N1CCCC1 ZINC000487147415 530811342 /nfs/dbraw/zinc/81/13/42/530811342.db2.gz JBGIIMJXVBHVRJ-HUUCEWRRSA-N 0 3 386.543 0.253 20 0 GCADHN CN(C)[C@]1(CNC(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCSC1 ZINC000487592999 530813464 /nfs/dbraw/zinc/81/34/64/530813464.db2.gz VSWAZHMCMMRUIJ-ZBFHGGJFSA-N 0 3 390.575 0.633 20 0 GCADHN CC(C)[C@H]1CN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CCN1C ZINC000487956561 530815934 /nfs/dbraw/zinc/81/59/34/530815934.db2.gz LTTBZAMQZQGJIN-MRXNPFEDSA-N 0 3 376.567 0.435 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000269127503 530821075 /nfs/dbraw/zinc/82/10/75/530821075.db2.gz KESDJLJWIAUKNY-BBRMVZONSA-N 0 3 387.527 0.700 20 0 GCADHN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)NCC1CCN(CCO)CC1 ZINC000489419563 530822507 /nfs/dbraw/zinc/82/25/07/530822507.db2.gz BYOSJPYFUZGMPQ-QGZVFWFLSA-N 0 3 375.535 0.401 20 0 GCADHN CC(C(=O)NCC(C)(C)[C@@]1(O)CCCOC1)S(=O)(=O)C1CCOCC1 ZINC000620111504 530825179 /nfs/dbraw/zinc/82/51/79/530825179.db2.gz KYCKJCKXUDDYCT-CXAGYDPISA-N 0 3 377.503 0.653 20 0 GCADHN CSCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000489870618 530825406 /nfs/dbraw/zinc/82/54/06/530825406.db2.gz IZIHDRKSYRPMJA-ZDUSSCGKSA-N 0 3 393.481 0.878 20 0 GCADHN COCCN(C)C[C@@H](O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000656150782 530825657 /nfs/dbraw/zinc/82/56/57/530825657.db2.gz WBRSAIKPJOVYLT-CQSZACIVSA-N 0 3 389.543 0.897 20 0 GCADHN CCCN(CCN1CCCC1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000495444618 530848865 /nfs/dbraw/zinc/84/88/65/530848865.db2.gz KBFBMBAQGSDBJN-UHFFFAOYSA-N 0 3 392.591 0.882 20 0 GCADHN CC(C(=O)N1CCC(C)CC1)S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000656532546 530849192 /nfs/dbraw/zinc/84/91/92/530849192.db2.gz OYQCZVQBCWZMAL-JTQLQIEISA-N 0 3 383.396 0.797 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN(C(=O)C(C)S(C)(=O)=O)CC2)c(C)s1 ZINC000070766046 530853202 /nfs/dbraw/zinc/85/32/02/530853202.db2.gz ZSBPZGAUPVMJOW-GFCCVEGCSA-N 0 3 394.540 0.631 20 0 GCADHN CCCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@H]1CCN(C)C1 ZINC000646397630 530855187 /nfs/dbraw/zinc/85/51/87/530855187.db2.gz LVWLLBCNJMJYPS-NWDGAFQWSA-N 0 3 388.456 0.934 20 0 GCADHN CC(C)N(CCCNC(=O)CN([C@@H](C)CO)C1CCCC1)S(C)(=O)=O ZINC000582923496 530856733 /nfs/dbraw/zinc/85/67/33/530856733.db2.gz PGOFOWUFOWXUFO-HNNXBMFYSA-N 0 3 377.551 0.788 20 0 GCADHN CCN(CC)S(=O)(=O)c1c(C)nn(C[C@@H](O)CN(C)CCOC)c1C ZINC000583214329 530865418 /nfs/dbraw/zinc/86/54/18/530865418.db2.gz NKDAWTVWAJJDPN-HNNXBMFYSA-N 0 3 376.523 0.470 20 0 GCADHN Cc1nn2cc(S(=O)(=O)NCC3CCN(CCO)CC3)cnc2c1Cl ZINC000500942453 530865840 /nfs/dbraw/zinc/86/58/40/530865840.db2.gz XZDFDICNABXOPQ-UHFFFAOYSA-N 0 3 387.893 0.674 20 0 GCADHN CN(CC1CCN(c2ccncc2)CC1)S(=O)(=O)CCCS(C)(=O)=O ZINC000501182960 530867190 /nfs/dbraw/zinc/86/71/90/530867190.db2.gz AZQMMCQWRHCJGC-UHFFFAOYSA-N 0 3 389.543 0.994 20 0 GCADHN CC(C)(C)N1CC[C@H](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000657035706 530868930 /nfs/dbraw/zinc/86/89/30/530868930.db2.gz YLEDVAKKNGQDQZ-GFCCVEGCSA-N 0 3 375.516 0.733 20 0 GCADHN CC(C)(C)N1CC[C@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000657061626 530870628 /nfs/dbraw/zinc/87/06/28/530870628.db2.gz NSCICKUGXRCDLM-AWEZNQCLSA-N 0 3 389.543 0.757 20 0 GCADHN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516585586 530871516 /nfs/dbraw/zinc/87/15/16/530871516.db2.gz WFFBZMOOLMBNJQ-ZYHUDNBSSA-N 0 3 387.845 0.059 20 0 GCADHN C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)N1CCCC[C@H]1C ZINC000502173340 530873188 /nfs/dbraw/zinc/87/31/88/530873188.db2.gz QRKGSBAYXLEVTE-CABCVRRESA-N 0 3 392.591 0.927 20 0 GCADHN CN(C)CCN1CCN(C(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000493023109 530837704 /nfs/dbraw/zinc/83/77/04/530837704.db2.gz AMXSMEWDHJSBME-UHFFFAOYSA-N 0 3 385.306 0.707 20 0 GCADHN CO[C@H](CS(=O)(=O)NCCCCN1CCC[C@@H]1CO)C1CCOCC1 ZINC000645558315 530841932 /nfs/dbraw/zinc/84/19/32/530841932.db2.gz QOSHDDUEJQSRNJ-IAGOWNOFSA-N 0 3 378.535 0.584 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171044024 530842957 /nfs/dbraw/zinc/84/29/57/530842957.db2.gz YVSRHHYKLXOAQE-LBPRGKRZSA-N 0 3 399.289 0.776 20 0 GCADHN CCS(=O)(=O)NCC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000670395912 530899994 /nfs/dbraw/zinc/89/99/94/530899994.db2.gz MFCVIKOFPQXLEL-OAHLLOKOSA-N 0 3 377.551 0.646 20 0 GCADHN NS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000646576079 530908064 /nfs/dbraw/zinc/90/80/64/530908064.db2.gz TWEQZMJPUKHYFT-KBPBESRZSA-N 0 3 386.543 0.917 20 0 GCADHN CC(C(=O)NCCc1cccs1)S(=O)(=O)Cc1cccc(C(N)=O)n1 ZINC000502857196 530877270 /nfs/dbraw/zinc/87/72/70/530877270.db2.gz RWVYNZJXKHSONT-NSHDSACASA-N 0 3 381.479 0.904 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000502973306 530878484 /nfs/dbraw/zinc/87/84/84/530878484.db2.gz ZKHCEUHMRDUCJO-INIZCTEOSA-N 0 3 398.257 0.474 20 0 GCADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000627336444 530878887 /nfs/dbraw/zinc/87/88/87/530878887.db2.gz ZZOWBUFQVCFRCP-ZDUSSCGKSA-N 0 3 383.290 0.951 20 0 GCADHN CCN(CC)CCN(C(=O)CSc1nnc(C)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000503495256 530882226 /nfs/dbraw/zinc/88/22/26/530882226.db2.gz CZVRDNSVCNJRDS-ZDUSSCGKSA-N 0 3 389.547 0.563 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC(OCCN(C)C)CC1)N1CCCS1(=O)=O ZINC000503686004 530883071 /nfs/dbraw/zinc/88/30/71/530883071.db2.gz XCDAGMVFTXFNMY-INIZCTEOSA-N 0 3 375.535 0.616 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1F ZINC000622013367 530888749 /nfs/dbraw/zinc/88/87/49/530888749.db2.gz OKRBESJYWFNJFS-HZMBPMFUSA-N 0 3 377.463 0.699 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000504583178 530890482 /nfs/dbraw/zinc/89/04/82/530890482.db2.gz UAJWJAHZUNPMSP-OAHLLOKOSA-N 0 3 391.877 0.111 20 0 GCADHN CNS(=O)(=O)c1ccc(CN(C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000660002313 530891603 /nfs/dbraw/zinc/89/16/03/530891603.db2.gz GUIDJRVBBGIBIK-UHFFFAOYSA-N 0 3 375.516 0.451 20 0 GCADHN Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCN(C)C2)cn1 ZINC000349608234 530911122 /nfs/dbraw/zinc/91/11/22/530911122.db2.gz WXXUKBSXCZMMSQ-AWEZNQCLSA-N 0 3 390.531 0.393 20 0 GCADHN CCN(CC)CCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000012141278 530895736 /nfs/dbraw/zinc/89/57/36/530895736.db2.gz FQVWERQGIJRRHV-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN N[C@@H](CNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000418435718 530930003 /nfs/dbraw/zinc/93/00/03/530930003.db2.gz WQWPLVGHERMZKJ-KBPBESRZSA-N 0 3 383.495 0.882 20 0 GCADHN COCCNCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000418515365 530930638 /nfs/dbraw/zinc/93/06/38/530930638.db2.gz YEDCOJBHWUWPIK-AWEZNQCLSA-N 0 3 399.289 0.868 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000508333577 530912054 /nfs/dbraw/zinc/91/20/54/530912054.db2.gz NCZXKKLWKCVMEA-CQSZACIVSA-N 0 3 394.607 0.190 20 0 GCADHN Nc1nc(N)nc(NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 ZINC000624001440 530915806 /nfs/dbraw/zinc/91/58/06/530915806.db2.gz BEAWSROZIKGOQA-UHFFFAOYSA-N 0 3 383.503 0.009 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc4c(Cl)ccnc43)CCN2C1=O ZINC000584732517 530923021 /nfs/dbraw/zinc/92/30/21/530923021.db2.gz ORTXWHKZWIRNEX-ZWNOBZJWSA-N 0 3 380.857 0.821 20 0 GCADHN CS(=O)(=O)c1cc(Br)cc(C(=O)NC[C@H]2CNCCO2)c1F ZINC000584776114 530923819 /nfs/dbraw/zinc/92/38/19/530923819.db2.gz HOBBCUINRAWSCJ-SECBINFHSA-N 0 3 395.250 0.710 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCOCC[NH3+])cc1F ZINC000624409742 530925001 /nfs/dbraw/zinc/92/50/01/530925001.db2.gz OEHFOCIKXUBABV-UHFFFAOYSA-N 0 3 397.494 0.572 20 0 GCADHN O=C(NCc1ccc([O-])c(Br)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419404482 530958165 /nfs/dbraw/zinc/95/81/65/530958165.db2.gz GASNAWWUZLUXHC-RYUDHWBXSA-N 0 3 382.258 0.839 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000262112335 530958291 /nfs/dbraw/zinc/95/82/91/530958291.db2.gz AYNCJRMJCGZDTB-UHFFFAOYSA-N 0 3 381.479 0.676 20 0 GCADHN COCCNCCNC(=O)C(=O)NCc1ccc(OC)c(Br)c1 ZINC000419448256 530959146 /nfs/dbraw/zinc/95/91/46/530959146.db2.gz WGHBTUMWCWTRAU-UHFFFAOYSA-N 0 3 388.262 0.426 20 0 GCADHN COCCNCCNC(=O)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000420181458 530965701 /nfs/dbraw/zinc/96/57/01/530965701.db2.gz IIVNWQAZRCHAFO-UHFFFAOYSA-N 0 3 390.253 0.899 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419642100 530960248 /nfs/dbraw/zinc/96/02/48/530960248.db2.gz IDWHZSFAJBJLCO-AAEUAGOBSA-N 0 3 383.290 0.950 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000419594639 530960382 /nfs/dbraw/zinc/96/03/82/530960382.db2.gz ZUOMPRALCTUKDF-CQSZACIVSA-N 0 3 384.274 0.905 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000517631526 530961919 /nfs/dbraw/zinc/96/19/19/530961919.db2.gz OPQGNZGRXIPVRC-GFCCVEGCSA-N 0 3 390.303 0.938 20 0 GCADHN CC(C)NS(=O)(=O)NCCN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000429443392 530962657 /nfs/dbraw/zinc/96/26/57/530962657.db2.gz CTILDEDDNYXIIR-GFCCVEGCSA-N 0 3 378.520 0.541 20 0 GCADHN C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419835183 530962870 /nfs/dbraw/zinc/96/28/70/530962870.db2.gz YCCZGSGKBOKNBZ-RISCZKNCSA-N 0 3 384.274 0.601 20 0 GCADHN NCCNC(=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000419840079 530962952 /nfs/dbraw/zinc/96/29/52/530962952.db2.gz RIKDLKKWIHVGTH-SNVBAGLBSA-N 0 3 398.261 0.096 20 0 GCADHN NCCNC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000419840077 530963014 /nfs/dbraw/zinc/96/30/14/530963014.db2.gz RIKDLKKWIHVGTH-JTQLQIEISA-N 0 3 398.261 0.096 20 0 GCADHN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C(=O)NCCN ZINC000419817876 530963128 /nfs/dbraw/zinc/96/31/28/530963128.db2.gz NDFLNNYGOVMJMF-UHFFFAOYSA-N 0 3 381.234 0.063 20 0 GCADHN CCS(=O)(=O)N1CCC(CNS(=O)(=O)CCCN2CCCC2)CC1 ZINC000632209208 530963222 /nfs/dbraw/zinc/96/32/22/530963222.db2.gz USIDKPBCOOVRBG-UHFFFAOYSA-N 0 3 381.564 0.453 20 0 GCADHN C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419835184 530963409 /nfs/dbraw/zinc/96/34/09/530963409.db2.gz YCCZGSGKBOKNBZ-SMDDNHRTSA-N 0 3 384.274 0.601 20 0 GCADHN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(=O)N[C@@H](C)CN ZINC000420020599 530964205 /nfs/dbraw/zinc/96/42/05/530964205.db2.gz GAUUYNGFKQCIDT-JTQLQIEISA-N 0 3 389.283 0.922 20 0 GCADHN [NH3+]CCCOCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000627031027 530964593 /nfs/dbraw/zinc/96/45/93/530964593.db2.gz MXFPWKVWOWSSFK-UHFFFAOYSA-N 0 3 396.872 0.422 20 0 GCADHN Cc1ccc(Br)cc1NC(=O)CCNC(=O)C(=O)N[C@H](C)CN ZINC000420014589 530964635 /nfs/dbraw/zinc/96/46/35/530964635.db2.gz OLVNQICHPFVONZ-SNVBAGLBSA-N 0 3 385.262 0.666 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000418802820 530935434 /nfs/dbraw/zinc/93/54/34/530935434.db2.gz KJBBFWHENZGNMV-NSHDSACASA-N 0 3 399.289 0.377 20 0 GCADHN COCCNCCNC(=O)C(=O)NCc1cc(OC)ccc1Br ZINC000418782326 530935453 /nfs/dbraw/zinc/93/54/53/530935453.db2.gz NESJLBPPDMGQCU-UHFFFAOYSA-N 0 3 388.262 0.426 20 0 GCADHN CN(CCN)C(=O)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000418810581 530936522 /nfs/dbraw/zinc/93/65/22/530936522.db2.gz OHYQFMSJBYHUCF-UHFFFAOYSA-N 0 3 382.218 0.532 20 0 GCADHN CCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)s1 ZINC000418815401 530936888 /nfs/dbraw/zinc/93/68/88/530936888.db2.gz XASDNIYCVYJSCE-YPMHNXCESA-N 0 3 387.527 0.744 20 0 GCADHN COCCNCCNC(=O)C(=O)NCc1ccc(F)cc1Br ZINC000418819927 530936908 /nfs/dbraw/zinc/93/69/08/530936908.db2.gz PIKHGNBMUJEFAC-UHFFFAOYSA-N 0 3 376.226 0.557 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@H](NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000511710418 530939174 /nfs/dbraw/zinc/93/91/74/530939174.db2.gz PMPYXYUZJXGNCM-YNEHKIRRSA-N 0 3 381.541 0.828 20 0 GCADHN COCC[NH+]1CCC(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000512157352 530941433 /nfs/dbraw/zinc/94/14/33/530941433.db2.gz XJBDYMZXVABMBQ-UHFFFAOYSA-N 0 3 395.934 0.907 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000512389392 530942645 /nfs/dbraw/zinc/94/26/45/530942645.db2.gz LHGOAXUWATVJJR-CVEARBPZSA-N 0 3 375.535 0.544 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000512417627 530942826 /nfs/dbraw/zinc/94/28/26/530942826.db2.gz DOHLATFATBOADF-HUUCEWRRSA-N 0 3 376.523 0.163 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000418851466 530943946 /nfs/dbraw/zinc/94/39/46/530943946.db2.gz SDCZMPBAPDOROS-SNVBAGLBSA-N 0 3 385.262 0.101 20 0 GCADHN C[C@@H]1CN(CCCNS(=O)(=O)CCCN2CCN(C)CC2)C[C@H](C)O1 ZINC000631702090 530945623 /nfs/dbraw/zinc/94/56/23/530945623.db2.gz MNVGUAGIOHNTGO-CALCHBBNSA-N 0 3 376.567 0.043 20 0 GCADHN CN(C(=O)C(=O)N[C@@H](CN)C1CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000420054001 530965083 /nfs/dbraw/zinc/96/50/83/530965083.db2.gz FEDJFDULYAOIKT-STQMWFEESA-N 0 3 385.873 0.480 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631785134 530948067 /nfs/dbraw/zinc/94/80/67/530948067.db2.gz CHHQPLZFFXOKOK-JKSUJKDBSA-N 0 3 375.535 0.665 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631785133 530948079 /nfs/dbraw/zinc/94/80/79/530948079.db2.gz CHHQPLZFFXOKOK-HZPDHXFCSA-N 0 3 375.535 0.665 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1Br ZINC000564100927 530948171 /nfs/dbraw/zinc/94/81/71/530948171.db2.gz OEGNETWSHHLMCW-DGCLKSJQSA-N 0 3 395.257 0.466 20 0 GCADHN CN(C1CC[NH2+]CC1)S(=O)(=O)[N-]CC(=O)Nc1ccc(F)c(F)c1F ZINC000631910065 530950910 /nfs/dbraw/zinc/95/09/10/530950910.db2.gz VXDAGZQVWGKUGV-UHFFFAOYSA-N 0 3 380.392 0.561 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000419990851 530965332 /nfs/dbraw/zinc/96/53/32/530965332.db2.gz AJRPBBIULSPBJS-SNVBAGLBSA-N 0 3 387.267 0.741 20 0 GCADHN Cc1nc(C)c(-c2csc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)n2)s1 ZINC000521256704 530965417 /nfs/dbraw/zinc/96/54/17/530965417.db2.gz UNEFAXNCNWWUHU-SNVBAGLBSA-N 0 3 383.499 0.861 20 0 GCADHN CN(C)CC[C@](C)(O)CNC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000420048940 530965447 /nfs/dbraw/zinc/96/54/47/530965447.db2.gz TWIWLNYFXFEPPB-HNNXBMFYSA-N 0 3 390.278 0.933 20 0 GCADHN Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)[C@@H](C)CN)nc12 ZINC000419043951 530953202 /nfs/dbraw/zinc/95/32/02/530953202.db2.gz ORDMAOOSUAIUCO-JTQLQIEISA-N 0 3 382.262 0.827 20 0 GCADHN O=C(NCc1cc(Cl)ccc1OC(F)F)C(=O)NC[C@H]1CNCCO1 ZINC000419040170 530953514 /nfs/dbraw/zinc/95/35/14/530953514.db2.gz IBCNUJKMTDDEMY-LLVKDONJSA-N 0 3 377.775 0.662 20 0 GCADHN Cc1cc(Br)cn2cc(CNC(=O)C(=O)N3CCCNCC3)nc12 ZINC000419040859 530953657 /nfs/dbraw/zinc/95/36/57/530953657.db2.gz JGOKPPHMMYCIOG-UHFFFAOYSA-N 0 3 394.273 0.843 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000419051412 530954202 /nfs/dbraw/zinc/95/42/02/530954202.db2.gz GFMXAKYXMIWLRO-LBPRGKRZSA-N 0 3 386.290 0.849 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419050332 530954233 /nfs/dbraw/zinc/95/42/33/530954233.db2.gz DHPMRCBIGPYUHM-BXKDBHETSA-N 0 3 383.246 0.134 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NC1CCN(Cc2cccc(Br)c2)CC1 ZINC000419074922 530954533 /nfs/dbraw/zinc/95/45/33/530954533.db2.gz MNQXGWSTTNJQEW-LBPRGKRZSA-N 0 3 397.317 0.993 20 0 GCADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C)CN)C2=O)ccc1Br ZINC000419066540 530954580 /nfs/dbraw/zinc/95/45/80/530954580.db2.gz QSRIYTPSGPWECB-ZWNOBZJWSA-N 0 3 397.273 0.442 20 0 GCADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)CCN)C2=O)ccc1Br ZINC000419064696 530954587 /nfs/dbraw/zinc/95/45/87/530954587.db2.gz PDPIKMOHVCETQH-CYBMUJFWSA-N 0 3 397.273 0.396 20 0 GCADHN CN(CCN)C(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419063883 530954671 /nfs/dbraw/zinc/95/46/71/530954671.db2.gz OEUGRHKUIHQLET-LBPRGKRZSA-N 0 3 383.246 0.088 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000516695417 530954868 /nfs/dbraw/zinc/95/48/68/530954868.db2.gz ZKCXIXUACHYDEX-GJZGRUSLSA-N 0 3 375.539 0.383 20 0 GCADHN C[C@H]1C[C@H](N)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000631973247 530965512 /nfs/dbraw/zinc/96/55/12/530965512.db2.gz LPIUPRCJWUDULQ-IUCAKERBSA-N 0 3 397.316 0.963 20 0 GCADHN C[C@@H](CC(=O)Nc1nc(N2CCNCC2)n[nH]1)n1cc(Br)cn1 ZINC000646802177 530955582 /nfs/dbraw/zinc/95/55/82/530955582.db2.gz XVMKDSQUSJHASG-VIFPVBQESA-N 0 3 383.254 0.763 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCc1cc(Cl)cc(Br)c1 ZINC000419075173 530955642 /nfs/dbraw/zinc/95/56/42/530955642.db2.gz URKKEBBFYBUKKH-UHFFFAOYSA-N 0 3 378.654 0.498 20 0 GCADHN CN(CCN)C(=O)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000419164765 530955995 /nfs/dbraw/zinc/95/59/95/530955995.db2.gz MPFFPOXVGWCEIY-UHFFFAOYSA-N 0 3 397.317 0.947 20 0 GCADHN NC[C@@H]1CCCN1C(=O)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000419146100 530956032 /nfs/dbraw/zinc/95/60/32/530956032.db2.gz HLYJVJCAVKMEIR-NSHDSACASA-N 0 3 398.257 0.786 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000419153131 530956232 /nfs/dbraw/zinc/95/62/32/530956232.db2.gz OMKCEUPFAVTKMC-SNVBAGLBSA-N 0 3 380.246 0.714 20 0 GCADHN CO[C@@H](CC(C)C)CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000420688235 530972551 /nfs/dbraw/zinc/97/25/51/530972551.db2.gz FDPDMLGCXUQKMJ-JKSUJKDBSA-N 0 3 375.535 0.616 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000522023286 530972759 /nfs/dbraw/zinc/97/27/59/530972759.db2.gz SZGCPHBVDFKGTN-OAHLLOKOSA-N 0 3 375.535 0.664 20 0 GCADHN C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)N1CCC(C)CC1 ZINC000522144374 530973626 /nfs/dbraw/zinc/97/36/26/530973626.db2.gz KYMRGDXMEXSTCG-HNNXBMFYSA-N 0 3 392.591 0.785 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(CCNC(C)=O)s2)CC1 ZINC000194115640 530974748 /nfs/dbraw/zinc/97/47/48/530974748.db2.gz DFMBSTZAVZSUGS-UHFFFAOYSA-N 0 3 388.559 0.343 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000066945074 530978681 /nfs/dbraw/zinc/97/86/81/530978681.db2.gz MIVHQDIBQQBEQU-NSHDSACASA-N 0 3 385.262 0.386 20 0 GCADHN CN(C)CCN1CCN(C(=O)c2cnn(C)c2I)CC1 ZINC000292780803 530979938 /nfs/dbraw/zinc/97/99/38/530979938.db2.gz MPGNBZPZIFJJJD-UHFFFAOYSA-N 0 3 391.257 0.344 20 0 GCADHN CN1CCN(CC2CN(C(=O)COc3ccc(Br)cn3)C2)CC1 ZINC000633196853 530982088 /nfs/dbraw/zinc/98/20/88/530982088.db2.gz NVISGKPORGPDDZ-UHFFFAOYSA-N 0 3 383.290 0.929 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000633105803 530982130 /nfs/dbraw/zinc/98/21/30/530982130.db2.gz OPTZVZOBROCAAS-GXFFZTMASA-N 0 3 392.283 0.997 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000633481699 530984436 /nfs/dbraw/zinc/98/44/36/530984436.db2.gz QFQGDDFXDJDHMQ-CQSZACIVSA-N 0 3 389.905 0.581 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)NCCCS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000524217623 530984767 /nfs/dbraw/zinc/98/47/67/530984767.db2.gz AOLNSRXMLWKOBC-HUUCEWRRSA-N 0 3 375.535 0.952 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000185603329 530965977 /nfs/dbraw/zinc/96/59/77/530965977.db2.gz KRQCSDUGIOSFGI-UHFFFAOYSA-N 0 3 376.226 0.957 20 0 GCADHN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420206298 530966621 /nfs/dbraw/zinc/96/66/21/530966621.db2.gz SMTQFVKWYLTRRL-NHYWBVRUSA-N 0 3 396.285 0.827 20 0 GCADHN CN(C)C1(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000420173254 530966971 /nfs/dbraw/zinc/96/69/71/530966971.db2.gz QUSCZMYYFPHHCC-UHFFFAOYSA-N 0 3 390.303 0.938 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNS(=O)(=O)CCCN1CCCC1 ZINC000632331123 530967074 /nfs/dbraw/zinc/96/70/74/530967074.db2.gz GBBBDWNVNJUAEL-GJZGRUSLSA-N 0 3 381.564 0.500 20 0 GCADHN CCc1ccccc1[C@H](N)CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000420463554 530968124 /nfs/dbraw/zinc/96/81/24/530968124.db2.gz OAJAINWLZAFBCJ-MRXNPFEDSA-N 0 3 383.495 0.875 20 0 GCADHN NC(=O)c1cc(Br)cc(S(=O)(=O)[N-][C@H](CC[NH3+])C(F)F)c1 ZINC000420449653 530968164 /nfs/dbraw/zinc/96/81/64/530968164.db2.gz AGVYFZNXGGSXSH-SECBINFHSA-N 0 3 386.218 0.809 20 0 GCADHN CCc1ccccc1[C@@H](N)CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000420463551 530968254 /nfs/dbraw/zinc/96/82/54/530968254.db2.gz OAJAINWLZAFBCJ-INIZCTEOSA-N 0 3 383.495 0.875 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000420454387 530968332 /nfs/dbraw/zinc/96/83/32/530968332.db2.gz LGYMAVJDCDTFNW-NEPJUHHUSA-N 0 3 395.572 0.636 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)Cc3ccc(I)cc3)CCN2C1=O ZINC000521645323 530968547 /nfs/dbraw/zinc/96/85/47/530968547.db2.gz FDVVZEXZLOYYSH-STQMWFEESA-N 0 3 399.232 0.604 20 0 GCADHN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)s1 ZINC000420475685 530968770 /nfs/dbraw/zinc/96/87/70/530968770.db2.gz HHBJYZGGXHJVQM-ZDUSSCGKSA-N 0 3 389.543 0.720 20 0 GCADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000632368133 530969002 /nfs/dbraw/zinc/96/90/02/530969002.db2.gz CKBIWHLMYHBUPD-TZMCWYRMSA-N 0 3 387.527 0.840 20 0 GCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000632367978 530969091 /nfs/dbraw/zinc/96/90/91/530969091.db2.gz AKNQFWRFGPFBLS-LRDDRELGSA-N 0 3 387.527 0.840 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(N(C)C[C@@H]2CCCN2C)c(S(N)(=O)=O)c1 ZINC000420640226 530970413 /nfs/dbraw/zinc/97/04/13/530970413.db2.gz SSFLCUIELMGBCS-LBPRGKRZSA-N 0 3 390.531 0.115 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000521838726 530970422 /nfs/dbraw/zinc/97/04/22/530970422.db2.gz XJUVJHQZPGUVOI-AWEZNQCLSA-N 0 3 387.527 0.701 20 0 GCADHN COCC1(C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)CC[NH2+]CC1 ZINC000262023752 530992679 /nfs/dbraw/zinc/99/26/79/530992679.db2.gz NKNVULRQAYJQOP-UHFFFAOYSA-N 0 3 375.516 0.679 20 0 GCADHN C[C@@H](CN)N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000262012941 530992699 /nfs/dbraw/zinc/99/26/99/530992699.db2.gz HRAMCARTVQBFLF-QMMMGPOBSA-N 0 3 385.305 0.820 20 0 GCADHN O=C(CCN1CCC(NS(=O)(=O)c2cccs2)CC1)N1CCNCC1 ZINC000262107874 530993614 /nfs/dbraw/zinc/99/36/14/530993614.db2.gz MMBBADVRDBHITH-UHFFFAOYSA-N 0 3 386.543 0.313 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000262108713 530993743 /nfs/dbraw/zinc/99/37/43/530993743.db2.gz GEMCJGCETDYRIS-LBPRGKRZSA-N 0 3 377.488 0.487 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCNCC2)c1 ZINC000262133024 530994030 /nfs/dbraw/zinc/99/40/30/530994030.db2.gz XBVRNUYMEXTBTI-UHFFFAOYSA-N 0 3 375.516 0.701 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1C[NH3+] ZINC000262162644 530994482 /nfs/dbraw/zinc/99/44/82/530994482.db2.gz VKBIKLAWJBDOGZ-CMPLNLGQSA-N 0 3 375.878 1.000 20 0 GCADHN O=C(C[C@@H]1CSCCN1)NCCNC(=O)c1ccc(Br)cn1 ZINC000659334132 530994581 /nfs/dbraw/zinc/99/45/81/530994581.db2.gz ASCBBRXUYBXIPM-LLVKDONJSA-N 0 3 387.303 0.785 20 0 GCADHN CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCNCC2)c(OC)c1 ZINC000262145042 530994579 /nfs/dbraw/zinc/99/45/79/530994579.db2.gz PYDIKHKJYBDERN-UHFFFAOYSA-N 0 3 377.488 0.441 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[NH2+]CC2)c(OC)c1 ZINC000262145042 530994582 /nfs/dbraw/zinc/99/45/82/530994582.db2.gz PYDIKHKJYBDERN-UHFFFAOYSA-N 0 3 377.488 0.441 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1F ZINC000262167514 530994941 /nfs/dbraw/zinc/99/49/41/530994941.db2.gz WKJMSINSEPNJNJ-LLVKDONJSA-N 0 3 379.479 0.960 20 0 GCADHN Cc1ccc(NC(=O)CNC(=O)C2(S(C)(=O)=O)CCNCC2)c(Cl)c1 ZINC000262343022 530996457 /nfs/dbraw/zinc/99/64/57/530996457.db2.gz FTTIBLLVVBZQKY-UHFFFAOYSA-N 0 3 387.889 0.870 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000262434927 530997050 /nfs/dbraw/zinc/99/70/50/530997050.db2.gz FZQYTFRBSIADIR-TXEJJXNPSA-N 0 3 391.490 0.816 20 0 GCADHN O=S(=O)([N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2nsnc21 ZINC000262363074 530997147 /nfs/dbraw/zinc/99/71/47/530997147.db2.gz VVGQJRSSGHMWKZ-NSHDSACASA-N 0 3 395.432 0.806 20 0 GCADHN COCCN(C)C[C@H](O)Cn1nnnc1Cc1ccc(Br)cc1 ZINC000572178733 530986072 /nfs/dbraw/zinc/98/60/72/530986072.db2.gz AKJGPUJAFXYDLP-AWEZNQCLSA-N 0 3 384.278 0.966 20 0 GCADHN COCCN(C)C[C@H](O)CN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000572301059 530988907 /nfs/dbraw/zinc/98/89/07/530988907.db2.gz VXUPHTLLRAYMEP-DLBZAZTESA-N 0 3 377.551 0.252 20 0 GCADHN C[C@H]1C[C@H](C[NH3+])CN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000261783970 530990165 /nfs/dbraw/zinc/99/01/65/530990165.db2.gz KHPBELOFRIDSOC-DTWKUNHWSA-N 0 3 396.332 0.985 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C[C@H]1N1CCCC1 ZINC000614278378 531006873 /nfs/dbraw/zinc/00/68/73/531006873.db2.gz ZYOILWZLCOOWFF-RBSFLKMASA-N 0 3 375.560 0.839 20 0 GCADHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000614443720 531008147 /nfs/dbraw/zinc/00/81/47/531008147.db2.gz YLAJCSHAICRCLY-LSDHHAIUSA-N 0 3 375.535 0.398 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000660605847 531009145 /nfs/dbraw/zinc/00/91/45/531009145.db2.gz LNXGUYHTOOIHPI-HNNXBMFYSA-N 0 3 392.591 0.785 20 0 GCADHN CN(C)[C@]1(CNC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CCSC1 ZINC000623708342 531009580 /nfs/dbraw/zinc/00/95/80/531009580.db2.gz FSDNBRGVQZHVPM-HNNXBMFYSA-N 0 3 376.548 0.243 20 0 GCADHN CC(C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C)S(=O)(=O)C1CCOCC1 ZINC000332962927 531010281 /nfs/dbraw/zinc/01/02/81/531010281.db2.gz ODGZJDFQCFUNND-AAEUAGOBSA-N 0 3 392.543 0.785 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000528474051 531011895 /nfs/dbraw/zinc/01/18/95/531011895.db2.gz NVPHWNTVXUXSDV-LLVKDONJSA-N 0 3 393.868 0.594 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCC[C@@H](C)[C@H]1CCO)S(C)(=O)=O ZINC000661489230 531015168 /nfs/dbraw/zinc/01/51/68/531015168.db2.gz AEWURBZFITVLTQ-HZPDHXFCSA-N 0 3 377.551 0.646 20 0 GCADHN CCOC(=O)[C@H]1NCC[C@@H]1NCCCNS(=O)(=O)c1ccccc1Cl ZINC000423097536 531016598 /nfs/dbraw/zinc/01/65/98/531016598.db2.gz JGNCQZMKAXYILD-ZFWWWQNUSA-N 0 3 389.905 0.892 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000661893270 531017818 /nfs/dbraw/zinc/01/78/18/531017818.db2.gz FXRVYPGQYDAFPH-HNNXBMFYSA-N 0 3 375.539 0.240 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc(Br)c3F)CCN2C1=O ZINC000580725291 531018233 /nfs/dbraw/zinc/01/82/33/531018233.db2.gz PZGLMJGECXUMCY-WCBMZHEXSA-N 0 3 392.250 0.521 20 0 GCADHN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc2c(s1)CCNC2 ZINC000662454627 531021065 /nfs/dbraw/zinc/02/10/65/531021065.db2.gz DGARVXJHYCBOLI-ZDUSSCGKSA-N 0 3 387.527 0.612 20 0 GCADHN CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000536836503 531021540 /nfs/dbraw/zinc/02/15/40/531021540.db2.gz AFAUGHLCWOPDKY-WFASDCNBSA-N 0 3 376.500 0.912 20 0 GCADHN [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000662811135 531023218 /nfs/dbraw/zinc/02/32/18/531023218.db2.gz HHOCAOJDLUHIDY-JQWIXIFHSA-N 0 3 379.841 0.237 20 0 GCADHN COCCNCC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000262627772 531035038 /nfs/dbraw/zinc/03/50/38/531035038.db2.gz RMLPRGVPSKGRNV-UHFFFAOYSA-N 0 3 375.516 0.434 20 0 GCADHN CS(=O)(=O)Nc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)ccc1Cl ZINC000627258222 531026887 /nfs/dbraw/zinc/02/68/87/531026887.db2.gz WWSGTQANTBNXFO-CHWSQXEVSA-N 0 3 387.889 0.993 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000124366185 531028429 /nfs/dbraw/zinc/02/84/29/531028429.db2.gz AZWHYFONHWHHRO-UHFFFAOYSA-N 0 3 385.262 0.641 20 0 GCADHN CCS(=O)(=O)NCCN1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538046562 531029665 /nfs/dbraw/zinc/02/96/65/531029665.db2.gz YLJLXUPRRZMDDJ-IYBDPMFKSA-N 0 3 377.551 0.516 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000533067610 531031793 /nfs/dbraw/zinc/03/17/93/531031793.db2.gz CFXDDEFVCZEOBW-CQSZACIVSA-N 0 3 376.523 0.209 20 0 GCADHN CCCCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000663296657 531032048 /nfs/dbraw/zinc/03/20/48/531032048.db2.gz OVLQUQKUGYRHIL-GFCCVEGCSA-N 0 3 376.500 0.814 20 0 GCADHN Nc1ncc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000533098110 531033426 /nfs/dbraw/zinc/03/34/26/531033426.db2.gz ZGWCNKVZANEKBH-UHFFFAOYSA-N 0 3 387.893 0.246 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)CC1 ZINC000659947615 530998894 /nfs/dbraw/zinc/99/88/94/530998894.db2.gz OPMPBNDWHUYOAH-IAGOWNOFSA-N 0 3 377.551 0.516 20 0 GCADHN CC(C)O[C@]1(CS(=O)(=O)NCCN2CCN(C)C(C)(C)C2)CCOC1 ZINC000659962373 530999411 /nfs/dbraw/zinc/99/94/11/530999411.db2.gz WMCBPCNYZJYEEP-QGZVFWFLSA-N 0 3 377.551 0.516 20 0 GCADHN CC1(C)CN(S(=O)(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)CCO1 ZINC000537437284 531064071 /nfs/dbraw/zinc/06/40/71/531064071.db2.gz LRFLVZUMFBGFCG-HOTGVXAUSA-N 0 3 375.535 0.700 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)C[C@@H]1O ZINC000663771033 531036732 /nfs/dbraw/zinc/03/67/32/531036732.db2.gz XNDLUAMGNGZQOH-KBPBESRZSA-N 0 3 399.289 0.495 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000664073071 531038579 /nfs/dbraw/zinc/03/85/79/531038579.db2.gz AFEQLRGUTOCVDY-HNNXBMFYSA-N 0 3 375.539 0.431 20 0 GCADHN CCCN1CC[C@H](CNC(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000539176684 531039739 /nfs/dbraw/zinc/03/97/39/531039739.db2.gz CDDJQNUICWIZPX-CVEARBPZSA-N 0 3 375.535 0.954 20 0 GCADHN COCCN(C(=O)NC[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000539171123 531039893 /nfs/dbraw/zinc/03/98/93/531039893.db2.gz WJGOXAMJPDFDTM-CVEARBPZSA-N 0 3 375.535 0.952 20 0 GCADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000539178529 531039921 /nfs/dbraw/zinc/03/99/21/531039921.db2.gz QTOBBDMAMABUIQ-SNVBAGLBSA-N 0 3 387.278 0.933 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000539167637 531040001 /nfs/dbraw/zinc/04/00/01/531040001.db2.gz MWDDNKRYUXDONI-JTQLQIEISA-N 0 3 385.262 0.544 20 0 GCADHN C[C@@H](NCCCS(=O)(=O)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000539275643 531040927 /nfs/dbraw/zinc/04/09/27/531040927.db2.gz HWYGGPCBCBQPHH-CYBMUJFWSA-N 0 3 377.532 0.869 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000614852016 531042044 /nfs/dbraw/zinc/04/20/44/531042044.db2.gz FLAJFOVYCCNTIW-CHWSQXEVSA-N 0 3 375.516 0.330 20 0 GCADHN C[C@@H](C(=O)N[C@@H](CO)CN(C)C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000614857650 531043592 /nfs/dbraw/zinc/04/35/92/531043592.db2.gz CNOQYISQQNXFEJ-GXSJLCMTSA-N 0 3 398.257 0.472 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122587661 531051027 /nfs/dbraw/zinc/05/10/27/531051027.db2.gz WOTMQRFRZRAGBX-ZETCQYMHSA-N 0 3 380.189 0.705 20 0 GCADHN CN(C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550775901 531051196 /nfs/dbraw/zinc/05/11/96/531051196.db2.gz UBDSAETYSOVLQQ-UHFFFAOYSA-N 0 3 380.246 1.251 20 0 GCADHN CN(C)CCn1ccc(NC(=O)C(=O)Nc2cncc(Br)c2)n1 ZINC000563249533 531051782 /nfs/dbraw/zinc/05/17/82/531051782.db2.gz SOCLZFGINMLUPD-UHFFFAOYSA-N 0 3 381.234 1.179 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2sccc2Br)n1 ZINC000564237410 531052964 /nfs/dbraw/zinc/05/29/64/531052964.db2.gz ORLBKWFSSCTILI-UHFFFAOYSA-N 0 3 387.307 0.798 20 0 GCADHN CN1CCC(n2ccc(NC(=O)C(=O)NCC(F)(F)Br)n2)CC1 ZINC000377244031 531055157 /nfs/dbraw/zinc/05/51/57/531055157.db2.gz SGMLGOTUSMYXRE-UHFFFAOYSA-N 0 3 394.220 1.192 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000262729592 531057151 /nfs/dbraw/zinc/05/71/51/531057151.db2.gz BBUXPIWHYHKINT-CYBMUJFWSA-N 0 3 388.515 0.219 20 0 GCADHN C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000262744689 531059003 /nfs/dbraw/zinc/05/90/03/531059003.db2.gz LFIUWNDJKSZBQR-SECBINFHSA-N 0 3 389.421 0.543 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)s1 ZINC000262744153 531059086 /nfs/dbraw/zinc/05/90/86/531059086.db2.gz JSUZSYCDTUHLQO-LLVKDONJSA-N 0 3 383.499 0.707 20 0 GCADHN CN(C)CCOCCNC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000541528130 531059116 /nfs/dbraw/zinc/05/91/16/531059116.db2.gz PADKTQATOAFIHN-UHFFFAOYSA-N 0 3 376.251 0.809 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1F ZINC000262755105 531060247 /nfs/dbraw/zinc/06/02/47/531060247.db2.gz PAVBLKMFRFUSRC-LLVKDONJSA-N 0 3 379.479 0.865 20 0 GCADHN O=S1(=O)C[C@H](NC2CCN(c3nccs3)CC2)[C@@H](N2CCOCC2)C1 ZINC000543769133 531075826 /nfs/dbraw/zinc/07/58/26/531075826.db2.gz MFUDYYPSIBIIAK-GJZGRUSLSA-N 0 3 386.543 0.199 20 0 GCADHN COCCN(C(=O)CN[C@H](CO)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000543838442 531076872 /nfs/dbraw/zinc/07/68/72/531076872.db2.gz FUVMXNLQNSVHSB-JKSUJKDBSA-N 0 3 376.519 0.179 20 0 GCADHN CCOC(=O)CSc1nnc(NC(=O)c2ccn(CCN(C)C)n2)s1 ZINC000566436260 531078867 /nfs/dbraw/zinc/07/88/67/531078867.db2.gz CSALNNQRVOCXMQ-UHFFFAOYSA-N 0 3 384.487 1.204 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000544166296 531078914 /nfs/dbraw/zinc/07/89/14/531078914.db2.gz QKDSCYJEIFIUOZ-CQSZACIVSA-N 0 3 389.905 0.810 20 0 GCADHN CN1CC[C@](O)(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000545155172 531082946 /nfs/dbraw/zinc/08/29/46/531082946.db2.gz JNOSWHJFFRGPIA-HNNXBMFYSA-N 0 3 375.878 0.191 20 0 GCADHN COC(=O)CCCN1CCC(NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000545204972 531083796 /nfs/dbraw/zinc/08/37/96/531083796.db2.gz IQBDTMMGQQKAAR-UHFFFAOYSA-N 0 3 393.575 0.372 20 0 GCADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000131888829 531084123 /nfs/dbraw/zinc/08/41/23/531084123.db2.gz FEGDCJUEFHYVLP-AWEZNQCLSA-N 0 3 376.226 0.956 20 0 GCADHN COc1ccc(Br)c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000545173989 531084169 /nfs/dbraw/zinc/08/41/69/531084169.db2.gz YHXFJAFKQXZDBW-OAHLLOKOSA-N 0 3 386.246 0.579 20 0 GCADHN CCSc1nnc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000330080451 531084192 /nfs/dbraw/zinc/08/41/92/531084192.db2.gz PCSVZJBKQSFSES-LLVKDONJSA-N 0 3 384.531 1.420 20 0 GCADHN Cc1nc(NC[C@H]2CCCS2(=O)=O)cc(NC[C@@H]2CCCS2(=O)=O)n1 ZINC000566600075 531087749 /nfs/dbraw/zinc/08/77/49/531087749.db2.gz FZHDPGPAARLTAV-BETUJISGSA-N 0 3 388.515 0.763 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)C1 ZINC000545880360 531088155 /nfs/dbraw/zinc/08/81/55/531088155.db2.gz MXMSYJWTAFYVSF-MRXNPFEDSA-N 0 3 387.527 0.258 20 0 GCADHN CS[C@H]1CN(S(=O)(=O)CCCN2CCOCC2)C[C@H]1N1CCCC1 ZINC000614987220 531088532 /nfs/dbraw/zinc/08/85/32/531088532.db2.gz JDKZRAZERSPMIF-CVEARBPZSA-N 0 3 377.576 0.550 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Cl ZINC000515435175 531089353 /nfs/dbraw/zinc/08/93/53/531089353.db2.gz ZDWFHWQUDLEMSA-MFKMUULPSA-N 0 3 386.861 0.231 20 0 GCADHN CCN1CCC[C@H](CNS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000546025086 531089550 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COc1ccc([C@@H]2CCNC[C@H]2NS(=O)(=O)CCCS(C)(=O)=O)cc1 ZINC000440855633 531177929 /nfs/dbraw/zinc/17/79/29/531177929.db2.gz GFGSHYIHGPSQLL-JKSUJKDBSA-N 0 3 390.527 0.495 20 0 GCADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCc1n[nH]cc1Br ZINC000564980424 531177958 /nfs/dbraw/zinc/17/79/58/531177958.db2.gz RXJZWKWWTOROEX-AWEZNQCLSA-N 0 3 392.257 0.873 20 0 GCADHN CO[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@H](C[NH3+])C1 ZINC000440845377 531178030 /nfs/dbraw/zinc/17/80/30/531178030.db2.gz KERCJTBDCVYQFD-QWRGUYRKSA-N 0 3 395.478 0.324 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@H]1CCCCN1C1CC1 ZINC000683384392 531178921 /nfs/dbraw/zinc/17/89/21/531178921.db2.gz KETNZCHFFWCNRJ-OAHLLOKOSA-N 0 3 390.575 0.681 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CCCO1 ZINC000683378572 531179267 /nfs/dbraw/zinc/17/92/67/531179267.db2.gz OGQXDTKKJXWKDQ-CABCVRRESA-N 0 3 376.523 0.211 20 0 GCADHN C[C@H]1CN(CCCNC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CCCO1 ZINC000683378573 531179313 /nfs/dbraw/zinc/17/93/13/531179313.db2.gz OGQXDTKKJXWKDQ-GJZGRUSLSA-N 0 3 376.523 0.211 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)[C@@]2(N)C[C@@H](OCC)C2(C)C)CC1 ZINC000262314201 531179358 /nfs/dbraw/zinc/17/93/58/531179358.db2.gz ZLNVSVXDVNNDBW-PBHICJAKSA-N 0 3 375.535 0.839 20 0 GCADHN C[C@H]1CN(CCCNC(=O)Nc2nc(CS(C)(=O)=O)no2)CCCO1 ZINC000683371497 531178503 /nfs/dbraw/zinc/17/85/03/531178503.db2.gz FSAVTMDTLIBLES-NSHDSACASA-N 0 3 375.451 0.237 20 0 GCADHN Cc1c(Br)cccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565249447 531183200 /nfs/dbraw/zinc/18/32/00/531183200.db2.gz HJSPXPUMNQOYEM-ZYHUDNBSSA-N 0 3 395.257 0.466 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccc(O)c(Br)c3)CCN2C1=O ZINC000565252575 531183286 /nfs/dbraw/zinc/18/32/86/531183286.db2.gz DLTPJYJXYVYFFD-JQWIXIFHSA-N 0 3 383.246 0.608 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC[C@@](C)(O)CN(C)C ZINC000153134422 531185863 /nfs/dbraw/zinc/18/58/63/531185863.db2.gz YLWRIRNTPBVVBJ-BDJLRTHQSA-N 0 3 386.290 0.996 20 0 GCADHN COc1ccc(Br)c(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000565669540 531188522 /nfs/dbraw/zinc/18/85/22/531188522.db2.gz FPOVQMYMGBPRNK-SMDDNHRTSA-N 0 3 397.273 0.911 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000685499456 531190672 /nfs/dbraw/zinc/19/06/72/531190672.db2.gz YHKVYYKWLPKFLI-ZDUSSCGKSA-N 0 3 375.457 0.758 20 0 GCADHN C[C@@H](O)C[C@H](C)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000565833480 531190910 /nfs/dbraw/zinc/19/09/10/531190910.db2.gz FVPMBWRVYIWSTF-UONOGXRCSA-N 0 3 392.543 0.707 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CCSC1 ZINC000565906748 531191707 /nfs/dbraw/zinc/19/17/07/531191707.db2.gz WMPSVCIKBVVXFB-JQFCIGGWSA-N 0 3 387.571 0.711 20 0 GCADHN CN(C)[C@H]1CN(CC(=O)Nc2ccc(I)cc2)C[C@@H]1O ZINC000566426029 531197588 /nfs/dbraw/zinc/19/75/88/531197588.db2.gz LQSXXLVYIGIJMM-STQMWFEESA-N 0 3 389.237 0.836 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443101326 531197296 /nfs/dbraw/zinc/19/72/96/531197296.db2.gz HZSLMPULVLUKEE-HUUCEWRRSA-N 0 3 375.535 0.664 20 0 GCADHN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736293359 598827205 /nfs/dbraw/zinc/82/72/05/598827205.db2.gz OBQGCJIXOOEINW-WFASDCNBSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736293359 598827207 /nfs/dbraw/zinc/82/72/07/598827207.db2.gz OBQGCJIXOOEINW-WFASDCNBSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736293359 598827209 /nfs/dbraw/zinc/82/72/09/598827209.db2.gz OBQGCJIXOOEINW-WFASDCNBSA-N 0 3 393.455 0.943 20 0 GCADHN C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736293359 598827210 /nfs/dbraw/zinc/82/72/10/598827210.db2.gz OBQGCJIXOOEINW-WFASDCNBSA-N 0 3 393.455 0.943 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000736706448 598841059 /nfs/dbraw/zinc/84/10/59/598841059.db2.gz SREOKAJSJGVHCY-DZGCQCFKSA-N 0 3 393.455 0.731 20 0 GCADHN COC(=O)[C@H]1CC12CC[NH+](C[C@H](O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736905074 598872937 /nfs/dbraw/zinc/87/29/37/598872937.db2.gz AAZSAOZRYGACAZ-GOEBONIOSA-N 0 3 387.440 0.882 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000737221753 598950706 /nfs/dbraw/zinc/95/07/06/598950706.db2.gz QFLMOYMQTRYPBP-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000737221753 598950708 /nfs/dbraw/zinc/95/07/08/598950708.db2.gz QFLMOYMQTRYPBP-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000737221753 598950710 /nfs/dbraw/zinc/95/07/10/598950710.db2.gz QFLMOYMQTRYPBP-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000737221753 598950711 /nfs/dbraw/zinc/95/07/11/598950711.db2.gz QFLMOYMQTRYPBP-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN O[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1c(F)cccc1F ZINC000738382470 599011267 /nfs/dbraw/zinc/01/12/67/599011267.db2.gz REPJRLMSECPAAJ-NOZJJQNGSA-N 0 3 376.371 0.706 20 0 GCADHN O[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1c(F)cccc1F ZINC000738382470 599011269 /nfs/dbraw/zinc/01/12/69/599011269.db2.gz REPJRLMSECPAAJ-NOZJJQNGSA-N 0 3 376.371 0.706 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000735560629 599078767 /nfs/dbraw/zinc/07/87/67/599078767.db2.gz DVUSLOGEYUKUJB-CRAIPNDOSA-N 0 3 398.515 0.906 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000735560629 599078769 /nfs/dbraw/zinc/07/87/69/599078769.db2.gz DVUSLOGEYUKUJB-CRAIPNDOSA-N 0 3 398.515 0.906 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736857626 599083275 /nfs/dbraw/zinc/08/32/75/599083275.db2.gz PCMDPIUXWSLNOX-OAHLLOKOSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736857626 599083278 /nfs/dbraw/zinc/08/32/78/599083278.db2.gz PCMDPIUXWSLNOX-OAHLLOKOSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736857626 599083281 /nfs/dbraw/zinc/08/32/81/599083281.db2.gz PCMDPIUXWSLNOX-OAHLLOKOSA-N 0 3 391.501 0.267 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736857626 599083284 /nfs/dbraw/zinc/08/32/84/599083284.db2.gz PCMDPIUXWSLNOX-OAHLLOKOSA-N 0 3 391.501 0.267 20 0 GCADHN CCC[N@H+](C)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821088670 599093937 /nfs/dbraw/zinc/09/39/37/599093937.db2.gz RSGOGZCOSCBQME-LBPRGKRZSA-N 0 3 379.490 0.682 20 0 GCADHN CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821088670 599093939 /nfs/dbraw/zinc/09/39/39/599093939.db2.gz RSGOGZCOSCBQME-LBPRGKRZSA-N 0 3 379.490 0.682 20 0 GCADHN CCC[N@H+](C)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821088670 599093942 /nfs/dbraw/zinc/09/39/42/599093942.db2.gz RSGOGZCOSCBQME-LBPRGKRZSA-N 0 3 379.490 0.682 20 0 GCADHN CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821088670 599093945 /nfs/dbraw/zinc/09/39/45/599093945.db2.gz RSGOGZCOSCBQME-LBPRGKRZSA-N 0 3 379.490 0.682 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC[N@@H+]1C ZINC000736232392 599106459 /nfs/dbraw/zinc/10/64/59/599106459.db2.gz CTYJSJXVXGBBDR-AAEUAGOBSA-N 0 3 381.444 0.847 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC[N@H+]1C ZINC000736232392 599106461 /nfs/dbraw/zinc/10/64/61/599106461.db2.gz CTYJSJXVXGBBDR-AAEUAGOBSA-N 0 3 381.444 0.847 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC[N@@H+]1C ZINC000736232392 599106463 /nfs/dbraw/zinc/10/64/63/599106463.db2.gz CTYJSJXVXGBBDR-AAEUAGOBSA-N 0 3 381.444 0.847 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC[N@H+]1C ZINC000736232392 599106466 /nfs/dbraw/zinc/10/64/66/599106466.db2.gz CTYJSJXVXGBBDR-AAEUAGOBSA-N 0 3 381.444 0.847 20 0 GCADHN O=C(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737837397 599145215 /nfs/dbraw/zinc/14/52/15/599145215.db2.gz GEDVSFXJMSHVJU-ZDUSSCGKSA-N 0 3 391.501 0.911 20 0 GCADHN O=C(CC[N@H+]1CC[C@H](CN2CCOCC2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737837397 599145218 /nfs/dbraw/zinc/14/52/18/599145218.db2.gz GEDVSFXJMSHVJU-ZDUSSCGKSA-N 0 3 391.501 0.911 20 0 GCADHN O=C(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737837397 599145221 /nfs/dbraw/zinc/14/52/21/599145221.db2.gz GEDVSFXJMSHVJU-ZDUSSCGKSA-N 0 3 391.501 0.911 20 0 GCADHN O=C(CC[N@H+]1CC[C@H](CN2CCOCC2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737837397 599145224 /nfs/dbraw/zinc/14/52/24/599145224.db2.gz GEDVSFXJMSHVJU-ZDUSSCGKSA-N 0 3 391.501 0.911 20 0 GCADHN O=C(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737838240 599145365 /nfs/dbraw/zinc/14/53/65/599145365.db2.gz KWRRZKAKQJKFIX-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@H](CN2CCOCC2)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737838240 599145368 /nfs/dbraw/zinc/14/53/68/599145368.db2.gz KWRRZKAKQJKFIX-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737838240 599145371 /nfs/dbraw/zinc/14/53/71/599145371.db2.gz KWRRZKAKQJKFIX-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@H](CN2CCOCC2)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737838240 599145374 /nfs/dbraw/zinc/14/53/74/599145374.db2.gz KWRRZKAKQJKFIX-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737837394 599145674 /nfs/dbraw/zinc/14/56/74/599145674.db2.gz GEDVSFXJMSHVJU-CYBMUJFWSA-N 0 3 391.501 0.911 20 0 GCADHN O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737837394 599145675 /nfs/dbraw/zinc/14/56/75/599145675.db2.gz GEDVSFXJMSHVJU-CYBMUJFWSA-N 0 3 391.501 0.911 20 0 GCADHN O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737837394 599145676 /nfs/dbraw/zinc/14/56/76/599145676.db2.gz GEDVSFXJMSHVJU-CYBMUJFWSA-N 0 3 391.501 0.911 20 0 GCADHN O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737837394 599145677 /nfs/dbraw/zinc/14/56/77/599145677.db2.gz GEDVSFXJMSHVJU-CYBMUJFWSA-N 0 3 391.501 0.911 20 0 GCADHN COCCOC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737004995 599208075 /nfs/dbraw/zinc/20/80/75/599208075.db2.gz DHDCVEOUNQYNRV-HNNXBMFYSA-N 0 3 377.445 0.734 20 0 GCADHN O=C(CC[NH+](CCO)CCO)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737839859 599241991 /nfs/dbraw/zinc/24/19/91/599241991.db2.gz VKRUBDWKZYMVTB-UHFFFAOYSA-N 0 3 394.501 0.812 20 0 GCADHN Cc1c(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)cccc1-c1nn[n-]n1 ZINC000822053772 607277195 /nfs/dbraw/zinc/27/71/95/607277195.db2.gz RGAPKILESSTMKF-UHFFFAOYSA-N 0 3 387.444 0.077 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821351196 607278773 /nfs/dbraw/zinc/27/87/73/607278773.db2.gz MZJDQJPPOAKXIK-CYBMUJFWSA-N 0 3 389.460 0.587 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821351196 607278774 /nfs/dbraw/zinc/27/87/74/607278774.db2.gz MZJDQJPPOAKXIK-CYBMUJFWSA-N 0 3 389.460 0.587 20 0 GCADHN CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735857258 599281779 /nfs/dbraw/zinc/28/17/79/599281779.db2.gz QPANPUCYBKSDRN-UHFFFAOYSA-N 0 3 397.386 0.863 20 0 GCADHN CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735857258 599281780 /nfs/dbraw/zinc/28/17/80/599281780.db2.gz QPANPUCYBKSDRN-UHFFFAOYSA-N 0 3 397.386 0.863 20 0 GCADHN CC(C)([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)NCC1CCCC1 ZINC000819987829 607335068 /nfs/dbraw/zinc/33/50/68/607335068.db2.gz NOAKEHQLUCZMQL-ZDUSSCGKSA-N 0 3 387.492 0.780 20 0 GCADHN CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821109476 607340346 /nfs/dbraw/zinc/34/03/46/607340346.db2.gz JXQTYBJKMBSJKA-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821109476 607340348 /nfs/dbraw/zinc/34/03/48/607340348.db2.gz JXQTYBJKMBSJKA-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821581180 607343240 /nfs/dbraw/zinc/34/32/40/607343240.db2.gz FAYCBFNPHKNDNI-NWDGAFQWSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821581180 607343242 /nfs/dbraw/zinc/34/32/42/607343242.db2.gz FAYCBFNPHKNDNI-NWDGAFQWSA-N 0 3 375.408 0.933 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000112907517 598271663 /nfs/dbraw/zinc/27/16/63/598271663.db2.gz LTMJMOFQCJSVDS-SJORKVTESA-N 0 3 397.483 0.816 20 0 GCADHN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000112907517 598271664 /nfs/dbraw/zinc/27/16/64/598271664.db2.gz LTMJMOFQCJSVDS-SJORKVTESA-N 0 3 397.483 0.816 20 0 GCADHN C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000736762942 598307133 /nfs/dbraw/zinc/30/71/33/598307133.db2.gz YEUBCTUEWWDOMW-CYBMUJFWSA-N 0 3 377.836 0.915 20 0 GCADHN C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000736762942 598307135 /nfs/dbraw/zinc/30/71/35/598307135.db2.gz YEUBCTUEWWDOMW-CYBMUJFWSA-N 0 3 377.836 0.915 20 0 GCADHN O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738038979 598330561 /nfs/dbraw/zinc/33/05/61/598330561.db2.gz KYGUXWDEGYOWKG-UHFFFAOYSA-N 0 3 399.455 0.566 20 0 GCADHN COCCN1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000737006097 598343885 /nfs/dbraw/zinc/34/38/85/598343885.db2.gz VRODYDRXOKQISC-ZBFHGGJFSA-N 0 3 376.461 0.259 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000736704656 598348777 /nfs/dbraw/zinc/34/87/77/598348777.db2.gz APNLBGLKWUQULD-RYUDHWBXSA-N 0 3 381.444 0.952 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736705114 598349330 /nfs/dbraw/zinc/34/93/30/598349330.db2.gz FMEQNUUNVUNNRH-RISCZKNCSA-N 0 3 381.444 0.952 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000738387212 598352675 /nfs/dbraw/zinc/35/26/75/598352675.db2.gz OERUARYHYKZUOA-GDBMZVCRSA-N 0 3 384.444 0.610 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000738387212 598352677 /nfs/dbraw/zinc/35/26/77/598352677.db2.gz OERUARYHYKZUOA-GDBMZVCRSA-N 0 3 384.444 0.610 20 0 GCADHN CN1CCN(C[C@@H]2CN(CCOc3cccc(-c4nn[nH]n4)c3)CCO2)CC1 ZINC000736864489 598353270 /nfs/dbraw/zinc/35/32/70/598353270.db2.gz REHGXDPHIDIIFJ-GOSISDBHSA-N 0 3 387.488 0.194 20 0 GCADHN O=C(CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncccn2)CC1 ZINC000737847999 598356952 /nfs/dbraw/zinc/35/69/52/598356952.db2.gz WZCUDHPRGRVEBY-UHFFFAOYSA-N 0 3 393.455 0.485 20 0 GCADHN O=C(CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N1CCN(c2ncccn2)CC1 ZINC000737846203 598357214 /nfs/dbraw/zinc/35/72/14/598357214.db2.gz HKIKFZMKFQOSDJ-UHFFFAOYSA-N 0 3 393.455 0.485 20 0 GCADHN O=C(CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N1CCN(c2ncccn2)CC1 ZINC000737846203 598357216 /nfs/dbraw/zinc/35/72/16/598357216.db2.gz HKIKFZMKFQOSDJ-UHFFFAOYSA-N 0 3 393.455 0.485 20 0 GCADHN COC(=O)[C@H](C)C[N@H+](C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736895583 598372835 /nfs/dbraw/zinc/37/28/35/598372835.db2.gz YPFQBXFNVBCMEW-DOMZBBRYSA-N 0 3 375.429 0.880 20 0 GCADHN COC(=O)[C@H](C)C[N@@H+](C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736895583 598372837 /nfs/dbraw/zinc/37/28/37/598372837.db2.gz YPFQBXFNVBCMEW-DOMZBBRYSA-N 0 3 375.429 0.880 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736145008 598375244 /nfs/dbraw/zinc/37/52/44/598375244.db2.gz SFZZTDUHNYMBNH-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736145008 598375246 /nfs/dbraw/zinc/37/52/46/598375246.db2.gz SFZZTDUHNYMBNH-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145008 598375249 /nfs/dbraw/zinc/37/52/49/598375249.db2.gz SFZZTDUHNYMBNH-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145008 598375251 /nfs/dbraw/zinc/37/52/51/598375251.db2.gz SFZZTDUHNYMBNH-GFCCVEGCSA-N 0 3 380.474 0.332 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C[NH+]1CCCCC1 ZINC000736014341 598402770 /nfs/dbraw/zinc/40/27/70/598402770.db2.gz LYIVBOPBPJVZGL-CQSZACIVSA-N 0 3 385.472 0.835 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCCCC1 ZINC000736014341 598402771 /nfs/dbraw/zinc/40/27/71/598402771.db2.gz LYIVBOPBPJVZGL-CQSZACIVSA-N 0 3 385.472 0.835 20 0 GCADHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736264219 598404447 /nfs/dbraw/zinc/40/44/47/598404447.db2.gz CIWWCANYBIBCNH-ZIAGYGMSSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736264219 598404448 /nfs/dbraw/zinc/40/44/48/598404448.db2.gz CIWWCANYBIBCNH-ZIAGYGMSSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736264219 598404451 /nfs/dbraw/zinc/40/44/51/598404451.db2.gz CIWWCANYBIBCNH-ZIAGYGMSSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736264219 598404452 /nfs/dbraw/zinc/40/44/52/598404452.db2.gz CIWWCANYBIBCNH-ZIAGYGMSSA-N 0 3 385.472 0.833 20 0 GCADHN C[NH+](C)CC(C)(C)CNC(=S)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736762359 598416743 /nfs/dbraw/zinc/41/67/43/598416743.db2.gz HLPPHNIAHHRUBT-UHFFFAOYSA-N 0 3 377.522 0.726 20 0 GCADHN C[NH+](C)CC(C)(C)CNC(=S)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736762359 598416744 /nfs/dbraw/zinc/41/67/44/598416744.db2.gz HLPPHNIAHHRUBT-UHFFFAOYSA-N 0 3 377.522 0.726 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737766059 598428205 /nfs/dbraw/zinc/42/82/05/598428205.db2.gz SEWQZPXZMWFVRS-GFCCVEGCSA-N 0 3 390.473 0.125 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737766059 598428206 /nfs/dbraw/zinc/42/82/06/598428206.db2.gz SEWQZPXZMWFVRS-GFCCVEGCSA-N 0 3 390.473 0.125 20 0 GCADHN CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736321290 598430906 /nfs/dbraw/zinc/43/09/06/598430906.db2.gz AMRVMMVAJYXDPV-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736321290 598430908 /nfs/dbraw/zinc/43/09/08/598430908.db2.gz AMRVMMVAJYXDPV-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736321290 598430911 /nfs/dbraw/zinc/43/09/11/598430911.db2.gz AMRVMMVAJYXDPV-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736321290 598430912 /nfs/dbraw/zinc/43/09/12/598430912.db2.gz AMRVMMVAJYXDPV-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736323239 598431112 /nfs/dbraw/zinc/43/11/12/598431112.db2.gz WELYTBAUSHVAEA-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736323239 598431114 /nfs/dbraw/zinc/43/11/14/598431114.db2.gz WELYTBAUSHVAEA-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736323239 598431116 /nfs/dbraw/zinc/43/11/16/598431116.db2.gz WELYTBAUSHVAEA-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736323239 598431118 /nfs/dbraw/zinc/43/11/18/598431118.db2.gz WELYTBAUSHVAEA-CQSZACIVSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736321289 598431187 /nfs/dbraw/zinc/43/11/87/598431187.db2.gz AMRVMMVAJYXDPV-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736321289 598431189 /nfs/dbraw/zinc/43/11/89/598431189.db2.gz AMRVMMVAJYXDPV-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736321289 598431191 /nfs/dbraw/zinc/43/11/91/598431191.db2.gz AMRVMMVAJYXDPV-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736321289 598431193 /nfs/dbraw/zinc/43/11/93/598431193.db2.gz AMRVMMVAJYXDPV-AWEZNQCLSA-N 0 3 387.492 0.824 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000737776699 598433596 /nfs/dbraw/zinc/43/35/96/598433596.db2.gz PZJXAGWWXKHPAH-UHFFFAOYSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000737776699 598433598 /nfs/dbraw/zinc/43/35/98/598433598.db2.gz PZJXAGWWXKHPAH-UHFFFAOYSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000737776416 598435078 /nfs/dbraw/zinc/43/50/78/598435078.db2.gz MRYRJWRJCGDLFS-UKRRQHHQSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000737776416 598435080 /nfs/dbraw/zinc/43/50/80/598435080.db2.gz MRYRJWRJCGDLFS-UKRRQHHQSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000737776416 598435081 /nfs/dbraw/zinc/43/50/81/598435081.db2.gz MRYRJWRJCGDLFS-UKRRQHHQSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000737776416 598435083 /nfs/dbraw/zinc/43/50/83/598435083.db2.gz MRYRJWRJCGDLFS-UKRRQHHQSA-N 0 3 393.455 0.991 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+][C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC000738432800 598517538 /nfs/dbraw/zinc/51/75/38/598517538.db2.gz MEHISPVXNHQEHO-HZPDHXFCSA-N 0 3 379.472 0.969 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+][C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC000738432800 598517539 /nfs/dbraw/zinc/51/75/39/598517539.db2.gz MEHISPVXNHQEHO-HZPDHXFCSA-N 0 3 379.472 0.969 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+][C@H]1CCN(Cc3ccccc3)C1)C2 ZINC000738432797 598517574 /nfs/dbraw/zinc/51/75/74/598517574.db2.gz MEHISPVXNHQEHO-CVEARBPZSA-N 0 3 379.472 0.969 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+][C@H]1CCN(Cc3ccccc3)C1)C2 ZINC000738432797 598517576 /nfs/dbraw/zinc/51/75/76/598517576.db2.gz MEHISPVXNHQEHO-CVEARBPZSA-N 0 3 379.472 0.969 20 0 GCADHN CN(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Cc1ccccc1 ZINC000736760965 598517644 /nfs/dbraw/zinc/51/76/44/598517644.db2.gz RYCLIGUTUFOOGG-HOTGVXAUSA-N 0 3 381.488 0.867 20 0 GCADHN CN(C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Cc1ccccc1 ZINC000736760965 598517645 /nfs/dbraw/zinc/51/76/45/598517645.db2.gz RYCLIGUTUFOOGG-HOTGVXAUSA-N 0 3 381.488 0.867 20 0 GCADHN COc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1OC ZINC000737090778 598517664 /nfs/dbraw/zinc/51/76/64/598517664.db2.gz UEHFNHPCYZGMGK-CYBMUJFWSA-N 0 3 384.444 0.954 20 0 GCADHN COc1ccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1OC ZINC000737090778 598517666 /nfs/dbraw/zinc/51/76/66/598517666.db2.gz UEHFNHPCYZGMGK-CYBMUJFWSA-N 0 3 384.444 0.954 20 0 GCADHN CC(C)CN1CCO[C@H](C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735835529 598518442 /nfs/dbraw/zinc/51/84/42/598518442.db2.gz JRKZAJUOMKBVMF-UONOGXRCSA-N 0 3 375.481 0.051 20 0 GCADHN CC(C)CN1CCO[C@H](C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000735835529 598518444 /nfs/dbraw/zinc/51/84/44/598518444.db2.gz JRKZAJUOMKBVMF-UONOGXRCSA-N 0 3 375.481 0.051 20 0 GCADHN CN(C)C(=O)c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736752792 598520048 /nfs/dbraw/zinc/52/00/48/598520048.db2.gz CBDLKMGUXGYWAT-CYBMUJFWSA-N 0 3 381.444 0.597 20 0 GCADHN CN(C)C(=O)c1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736752792 598520049 /nfs/dbraw/zinc/52/00/49/598520049.db2.gz CBDLKMGUXGYWAT-CYBMUJFWSA-N 0 3 381.444 0.597 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]Cc1ccc(N3CCOCC3)nc1)C2 ZINC000738412922 598520569 /nfs/dbraw/zinc/52/05/69/598520569.db2.gz JCZVKLAOPPQTGF-CQSZACIVSA-N 0 3 396.459 0.126 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]Cc1ccc(N3CCOCC3)nc1)C2 ZINC000738412922 598520570 /nfs/dbraw/zinc/52/05/70/598520570.db2.gz JCZVKLAOPPQTGF-CQSZACIVSA-N 0 3 396.459 0.126 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]Cc1ccc(N3CCCC3)nc1)C2 ZINC000738412192 598521748 /nfs/dbraw/zinc/52/17/48/598521748.db2.gz BWZSXWACRZGUGD-AWEZNQCLSA-N 0 3 380.460 0.890 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]Cc1ccc(N3CCCC3)nc1)C2 ZINC000738412192 598521749 /nfs/dbraw/zinc/52/17/49/598521749.db2.gz BWZSXWACRZGUGD-AWEZNQCLSA-N 0 3 380.460 0.890 20 0 GCADHN COCCOc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737015023 598521896 /nfs/dbraw/zinc/52/18/96/598521896.db2.gz MHAZXGRLQNGYAA-CQSZACIVSA-N 0 3 384.444 0.920 20 0 GCADHN COCCOc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737015023 598521898 /nfs/dbraw/zinc/52/18/98/598521898.db2.gz MHAZXGRLQNGYAA-CQSZACIVSA-N 0 3 384.444 0.920 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]Cc1ccnc(N3CCCC3)c1)C2 ZINC000738411606 598522046 /nfs/dbraw/zinc/52/20/46/598522046.db2.gz VVFWEEJNJALAOJ-AWEZNQCLSA-N 0 3 380.460 0.890 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]Cc1ccnc(N3CCCC3)c1)C2 ZINC000738411606 598522048 /nfs/dbraw/zinc/52/20/48/598522048.db2.gz VVFWEEJNJALAOJ-AWEZNQCLSA-N 0 3 380.460 0.890 20 0 GCADHN c1cn(-c2ccc(C[NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cn2)cn1 ZINC000738445040 598522639 /nfs/dbraw/zinc/52/26/39/598522639.db2.gz BIKOWUAHLBGFJV-ZDUSSCGKSA-N 0 3 377.416 0.475 20 0 GCADHN c1cn(-c2ccc(C[NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cn2)cn1 ZINC000738445040 598522641 /nfs/dbraw/zinc/52/26/41/598522641.db2.gz BIKOWUAHLBGFJV-ZDUSSCGKSA-N 0 3 377.416 0.475 20 0 GCADHN COCCOc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cn1 ZINC000737013610 598523214 /nfs/dbraw/zinc/52/32/14/598523214.db2.gz BBIJTYTWKAVEGW-ZDUSSCGKSA-N 0 3 385.432 0.315 20 0 GCADHN COCCOc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cn1 ZINC000737013610 598523216 /nfs/dbraw/zinc/52/32/16/598523216.db2.gz BBIJTYTWKAVEGW-ZDUSSCGKSA-N 0 3 385.432 0.315 20 0 GCADHN O=C(C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Nc1ccc(Cl)cc1 ZINC000737894657 598524814 /nfs/dbraw/zinc/52/48/14/598524814.db2.gz ISQCKSSEOJNVTM-JTQLQIEISA-N 0 3 387.835 0.987 20 0 GCADHN COc1ccc(C(=O)NCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737066683 598525219 /nfs/dbraw/zinc/52/52/19/598525219.db2.gz HFZJPJGZOPARHH-GFCCVEGCSA-N 0 3 397.443 0.133 20 0 GCADHN COc1ccc(C(=O)NCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737066683 598525220 /nfs/dbraw/zinc/52/52/20/598525220.db2.gz HFZJPJGZOPARHH-GFCCVEGCSA-N 0 3 397.443 0.133 20 0 GCADHN OC[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)Cc1ccc(F)cc1 ZINC000738388843 598525586 /nfs/dbraw/zinc/52/55/86/598525586.db2.gz HGNMTDXYOXMYOD-ZIAGYGMSSA-N 0 3 386.435 0.685 20 0 GCADHN OC[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Cc1ccc(F)cc1 ZINC000738388843 598525588 /nfs/dbraw/zinc/52/55/88/598525588.db2.gz HGNMTDXYOXMYOD-ZIAGYGMSSA-N 0 3 386.435 0.685 20 0 GCADHN Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737390986 598526014 /nfs/dbraw/zinc/52/60/14/598526014.db2.gz VPTSYFQWGJGPFK-GJZGRUSLSA-N 0 3 398.471 0.751 20 0 GCADHN Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737390986 598526016 /nfs/dbraw/zinc/52/60/16/598526016.db2.gz VPTSYFQWGJGPFK-GJZGRUSLSA-N 0 3 398.471 0.751 20 0 GCADHN O=C1C[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CN1c1ccccc1 ZINC000738302187 598526803 /nfs/dbraw/zinc/52/68/03/598526803.db2.gz VHBYZTIWXZWXMP-OLZOCXBDSA-N 0 3 379.428 0.500 20 0 GCADHN O=C1C[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CN1c1ccccc1 ZINC000738302187 598526805 /nfs/dbraw/zinc/52/68/05/598526805.db2.gz VHBYZTIWXZWXMP-OLZOCXBDSA-N 0 3 379.428 0.500 20 0 GCADHN O=C1[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1Cc1ccccc1 ZINC000738288102 598528469 /nfs/dbraw/zinc/52/84/69/598528469.db2.gz AQPMEKNGOGVQHN-GDBMZVCRSA-N 0 3 393.455 0.496 20 0 GCADHN CCN(CC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(=O)OC(C)(C)C ZINC000736536206 598529041 /nfs/dbraw/zinc/52/90/41/598529041.db2.gz FFXCYXWQIADOIJ-LBPRGKRZSA-N 0 3 391.480 0.952 20 0 GCADHN CCN(CC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(=O)OC(C)(C)C ZINC000736536206 598529043 /nfs/dbraw/zinc/52/90/43/598529043.db2.gz FFXCYXWQIADOIJ-LBPRGKRZSA-N 0 3 391.480 0.952 20 0 GCADHN FC(F)(F)CN1CCC([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000737626707 598529574 /nfs/dbraw/zinc/52/95/74/598529574.db2.gz JJMPODNYWAGDNK-SNVBAGLBSA-N 0 3 385.398 0.721 20 0 GCADHN FC(F)(F)CN1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000737626707 598529576 /nfs/dbraw/zinc/52/95/76/598529576.db2.gz JJMPODNYWAGDNK-SNVBAGLBSA-N 0 3 385.398 0.721 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000821700200 607360000 /nfs/dbraw/zinc/36/00/00/607360000.db2.gz HDCPAALWAHBNEB-CQSZACIVSA-N 0 3 390.444 0.217 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736746764 598581404 /nfs/dbraw/zinc/58/14/04/598581404.db2.gz OEYOLTLUIKNPMS-UHFFFAOYSA-N 0 3 386.460 0.931 20 0 GCADHN C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736002644 598636711 /nfs/dbraw/zinc/63/67/11/598636711.db2.gz SBIUKAXZIRFINV-NSHDSACASA-N 0 3 375.408 0.935 20 0 GCADHN C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736768323 598761927 /nfs/dbraw/zinc/76/19/27/598761927.db2.gz DNFTVKVELTYUDQ-UHFFFAOYSA-N 0 3 387.444 0.374 20 0 GCADHN C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736130634 598787463 /nfs/dbraw/zinc/78/74/63/598787463.db2.gz HUVQWGIPBWHCPP-VHSXEESVSA-N 0 3 399.484 0.940 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736535227 599333263 /nfs/dbraw/zinc/33/32/63/599333263.db2.gz VJUKVNCXXSTBLF-HZPDHXFCSA-N 0 3 383.456 0.915 20 0 GCADHN CC[NH+](CC)[C@@H]1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736535227 599333269 /nfs/dbraw/zinc/33/32/69/599333269.db2.gz VJUKVNCXXSTBLF-HZPDHXFCSA-N 0 3 383.456 0.915 20 0 GCADHN CC[NH+](CC)[C@H]1CCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736535228 599333386 /nfs/dbraw/zinc/33/33/86/599333386.db2.gz VJUKVNCXXSTBLF-JKSUJKDBSA-N 0 3 383.456 0.915 20 0 GCADHN CC[NH+](CC)[C@H]1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736535228 599333389 /nfs/dbraw/zinc/33/33/89/599333389.db2.gz VJUKVNCXXSTBLF-JKSUJKDBSA-N 0 3 383.456 0.915 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823162356 599387178 /nfs/dbraw/zinc/38/71/78/599387178.db2.gz SXSJGONHTNYTJJ-CQSZACIVSA-N 0 3 383.456 0.541 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823162356 599387181 /nfs/dbraw/zinc/38/71/81/599387181.db2.gz SXSJGONHTNYTJJ-CQSZACIVSA-N 0 3 383.456 0.541 20 0 GCADHN COCCn1cc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000821695180 599425270 /nfs/dbraw/zinc/42/52/70/599425270.db2.gz MVKALHJBHWIGHK-UHFFFAOYSA-N 0 3 383.460 0.863 20 0 GCADHN Cn1c(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)nc2cc(F)ccc21 ZINC000737593473 599452072 /nfs/dbraw/zinc/45/20/72/599452072.db2.gz UDZJAIOQSGNYBD-SNVBAGLBSA-N 0 3 382.407 0.921 20 0 GCADHN C[NH+](C)[C@H]1CCCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736755995 599578142 /nfs/dbraw/zinc/57/81/42/599578142.db2.gz FNZOBWMBVHAIBG-INIZCTEOSA-N 0 3 398.471 0.614 20 0 GCADHN C[NH+](C)C[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C1 ZINC000736759538 599580941 /nfs/dbraw/zinc/58/09/41/599580941.db2.gz UDRVMEHYLNKZKH-CQSZACIVSA-N 0 3 398.471 0.472 20 0 GCADHN C[NH+](C)C[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000736759538 599580944 /nfs/dbraw/zinc/58/09/44/599580944.db2.gz UDRVMEHYLNKZKH-CQSZACIVSA-N 0 3 398.471 0.472 20 0 GCADHN COCCOC[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691855 599587378 /nfs/dbraw/zinc/58/73/78/599587378.db2.gz HDJVXGLSFCLABI-ZBFHGGJFSA-N 0 3 377.445 0.591 20 0 GCADHN COCCOC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691855 599587379 /nfs/dbraw/zinc/58/73/79/599587379.db2.gz HDJVXGLSFCLABI-ZBFHGGJFSA-N 0 3 377.445 0.591 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c1-c1nnn[n-]1 ZINC000822319142 599606359 /nfs/dbraw/zinc/60/63/59/599606359.db2.gz KKVTZTFYHNWEBJ-UHFFFAOYSA-N 0 3 387.444 0.341 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)c1-c1nn[n-]n1 ZINC000822319142 599606361 /nfs/dbraw/zinc/60/63/61/599606361.db2.gz KKVTZTFYHNWEBJ-UHFFFAOYSA-N 0 3 387.444 0.341 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC[N@@H+]1C ZINC000820658619 599676012 /nfs/dbraw/zinc/67/60/12/599676012.db2.gz UJECUBDGZVDWIA-ZFWWWQNUSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC[N@H+]1C ZINC000820658619 599676013 /nfs/dbraw/zinc/67/60/13/599676013.db2.gz UJECUBDGZVDWIA-ZFWWWQNUSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC[N@@H+]1C ZINC000820658619 599676014 /nfs/dbraw/zinc/67/60/14/599676014.db2.gz UJECUBDGZVDWIA-ZFWWWQNUSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC[N@H+]1C ZINC000820658619 599676015 /nfs/dbraw/zinc/67/60/15/599676015.db2.gz UJECUBDGZVDWIA-ZFWWWQNUSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC[N@@H+]1C ZINC000820659492 599676127 /nfs/dbraw/zinc/67/61/27/599676127.db2.gz YDFGMLQPJRBFPF-UONOGXRCSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC[N@H+]1C ZINC000820659492 599676128 /nfs/dbraw/zinc/67/61/28/599676128.db2.gz YDFGMLQPJRBFPF-UONOGXRCSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC[N@@H+]1C ZINC000820659492 599676129 /nfs/dbraw/zinc/67/61/29/599676129.db2.gz YDFGMLQPJRBFPF-UONOGXRCSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC[N@H+]1C ZINC000820659492 599676130 /nfs/dbraw/zinc/67/61/30/599676130.db2.gz YDFGMLQPJRBFPF-UONOGXRCSA-N 0 3 385.476 0.576 20 0 GCADHN O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000823237961 599679234 /nfs/dbraw/zinc/67/92/34/599679234.db2.gz GFNBBVHYIGAOGT-CQSZACIVSA-N 0 3 377.424 0.652 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCCN1CC(F)(F)F ZINC000823510869 607497294 /nfs/dbraw/zinc/49/72/94/607497294.db2.gz BNSLJLOVXGAYGD-KOLCDFICSA-N 0 3 399.381 0.248 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824472065 607515531 /nfs/dbraw/zinc/51/55/31/607515531.db2.gz VHWPCRVOHVKPQS-LBPRGKRZSA-N 0 3 397.443 0.441 20 0 GCADHN CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000825870319 607515971 /nfs/dbraw/zinc/51/59/71/607515971.db2.gz GPVCQEQBAGOIHL-UHFFFAOYSA-N 0 3 397.443 0.222 20 0 GCADHN COC(=O)[C@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000826111639 607525173 /nfs/dbraw/zinc/52/51/73/607525173.db2.gz IVNNXBSSQBICOL-MRXNPFEDSA-N 0 3 388.428 0.441 20 0 GCADHN COC(=O)[C@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000826111639 607525175 /nfs/dbraw/zinc/52/51/75/607525175.db2.gz IVNNXBSSQBICOL-MRXNPFEDSA-N 0 3 388.428 0.441 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825851196 607525420 /nfs/dbraw/zinc/52/54/20/607525420.db2.gz UWMSOVPLWMDBIB-ZACQAIPSSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825851196 607525422 /nfs/dbraw/zinc/52/54/22/607525422.db2.gz UWMSOVPLWMDBIB-ZACQAIPSSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)CC1CCC(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825856648 607548394 /nfs/dbraw/zinc/54/83/94/607548394.db2.gz ZPJKUVGQVWDCDY-UHFFFAOYSA-N 0 3 385.472 0.833 20 0 GCADHN C[NH+](C)CC1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825856648 607548395 /nfs/dbraw/zinc/54/83/95/607548395.db2.gz ZPJKUVGQVWDCDY-UHFFFAOYSA-N 0 3 385.472 0.833 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825848276 607556372 /nfs/dbraw/zinc/55/63/72/607556372.db2.gz BLXMWITUTRVMJF-KBMXLJTQSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825848276 607556374 /nfs/dbraw/zinc/55/63/74/607556374.db2.gz BLXMWITUTRVMJF-KBMXLJTQSA-N 0 3 392.485 0.739 20 0 GCADHN COCC[NH+]1CCC(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000826159894 607569454 /nfs/dbraw/zinc/56/94/54/607569454.db2.gz WVRMUQOZDYCIAL-UHFFFAOYSA-N 0 3 389.460 0.785 20 0 GCADHN COc1ccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1-c1nnn[n-]1 ZINC000826200279 607620507 /nfs/dbraw/zinc/62/05/07/607620507.db2.gz HXSZEEQFCIXIQF-UHFFFAOYSA-N 0 3 385.432 0.955 20 0 GCADHN COc1ccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1-c1nn[n-]n1 ZINC000826200279 607620508 /nfs/dbraw/zinc/62/05/08/607620508.db2.gz HXSZEEQFCIXIQF-UHFFFAOYSA-N 0 3 385.432 0.955 20 0 GCADHN O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000826416990 607752967 /nfs/dbraw/zinc/75/29/67/607752967.db2.gz ZBIXDKAOPYASHL-KRWDZBQOSA-N 0 3 386.456 0.959 20 0 GCADHN O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823202543 606057985 /nfs/dbraw/zinc/05/79/85/606057985.db2.gz WKUIOFAMJBEPGW-CQSZACIVSA-N 0 3 385.476 0.801 20 0 GCADHN O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823202543 606057991 /nfs/dbraw/zinc/05/79/91/606057991.db2.gz WKUIOFAMJBEPGW-CQSZACIVSA-N 0 3 385.476 0.801 20 0 GCADHN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NCCN1CCC(OC)CC1 ZINC000821700681 606196871 /nfs/dbraw/zinc/19/68/71/606196871.db2.gz URFZWXNHUYTICE-UHFFFAOYSA-N 0 3 390.444 0.481 20 0 GCADHN CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1=O ZINC000821620874 606225010 /nfs/dbraw/zinc/22/50/10/606225010.db2.gz YSAWWHSZNWCJPU-KZULUSFZSA-N 0 3 395.427 0.325 20 0 GCADHN CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1=O ZINC000821620874 606225012 /nfs/dbraw/zinc/22/50/12/606225012.db2.gz YSAWWHSZNWCJPU-KZULUSFZSA-N 0 3 395.427 0.325 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000821586464 606284620 /nfs/dbraw/zinc/28/46/20/606284620.db2.gz YWAIGLUEPOUDMF-UHFFFAOYSA-N 0 3 377.449 0.551 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000821586464 606284621 /nfs/dbraw/zinc/28/46/21/606284621.db2.gz YWAIGLUEPOUDMF-UHFFFAOYSA-N 0 3 377.449 0.551 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480297 606297533 /nfs/dbraw/zinc/29/75/33/606297533.db2.gz IOTPKTDHEBJBSZ-CQSZACIVSA-N 0 3 388.472 0.797 20 0 GCADHN Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)CC2 ZINC000822463441 606307687 /nfs/dbraw/zinc/30/76/87/606307687.db2.gz RXYNUSHAFVNIJY-PWSUYJOCSA-N 0 3 385.457 0.538 20 0 GCADHN Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)CC2 ZINC000822463441 606307689 /nfs/dbraw/zinc/30/76/89/606307689.db2.gz RXYNUSHAFVNIJY-PWSUYJOCSA-N 0 3 385.457 0.538 20 0 GCADHN CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)[C@@H](C)C1 ZINC000819789616 606308902 /nfs/dbraw/zinc/30/89/02/606308902.db2.gz VVNMBQDQJAIJQY-BPNCWPANSA-N 0 3 389.485 0.880 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000821651637 606322931 /nfs/dbraw/zinc/32/29/31/606322931.db2.gz CSYOIIMBAAIFJD-ROUUACIJSA-N 0 3 399.499 0.793 20 0 GCADHN COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000821651637 606322933 /nfs/dbraw/zinc/32/29/33/606322933.db2.gz CSYOIIMBAAIFJD-ROUUACIJSA-N 0 3 399.499 0.793 20 0 GCADHN CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000819984408 606337030 /nfs/dbraw/zinc/33/70/30/606337030.db2.gz VEOLDJRPVDPOJT-NSHDSACASA-N 0 3 391.480 0.998 20 0 GCADHN CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000819984408 606337032 /nfs/dbraw/zinc/33/70/32/606337032.db2.gz VEOLDJRPVDPOJT-NSHDSACASA-N 0 3 391.480 0.998 20 0 GCADHN CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000819984407 606337115 /nfs/dbraw/zinc/33/71/15/606337115.db2.gz VEOLDJRPVDPOJT-LLVKDONJSA-N 0 3 391.480 0.998 20 0 GCADHN CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000819984407 606337117 /nfs/dbraw/zinc/33/71/17/606337117.db2.gz VEOLDJRPVDPOJT-LLVKDONJSA-N 0 3 391.480 0.998 20 0 GCADHN C[NH+](C)C1CCN(CCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821583136 606384590 /nfs/dbraw/zinc/38/45/90/606384590.db2.gz JUHDWIDHPWHGRG-UHFFFAOYSA-N 0 3 390.467 0.831 20 0 GCADHN C[NH+](C)C1CCN(CCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821583136 606384592 /nfs/dbraw/zinc/38/45/92/606384592.db2.gz JUHDWIDHPWHGRG-UHFFFAOYSA-N 0 3 390.467 0.831 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820126552 606392955 /nfs/dbraw/zinc/39/29/55/606392955.db2.gz AERNRSMGYDREOG-UHFFFAOYSA-N 0 3 375.408 0.933 20 0 GCADHN CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820126552 606392956 /nfs/dbraw/zinc/39/29/56/606392956.db2.gz AERNRSMGYDREOG-UHFFFAOYSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821583439 606396606 /nfs/dbraw/zinc/39/66/06/606396606.db2.gz VJFVBFIHKWKPGR-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821583439 606396607 /nfs/dbraw/zinc/39/66/07/606396607.db2.gz VJFVBFIHKWKPGR-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000823338058 606397397 /nfs/dbraw/zinc/39/73/97/606397397.db2.gz XHAZQCNSQUUYIG-UHFFFAOYSA-N 0 3 396.386 0.688 20 0 GCADHN O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000823338058 606397399 /nfs/dbraw/zinc/39/73/99/606397399.db2.gz XHAZQCNSQUUYIG-UHFFFAOYSA-N 0 3 396.386 0.688 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000822154038 606404457 /nfs/dbraw/zinc/40/44/57/606404457.db2.gz UAHIJCIHGMTHCX-UHFFFAOYSA-N 0 3 393.517 0.479 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000822154038 606404459 /nfs/dbraw/zinc/40/44/59/606404459.db2.gz UAHIJCIHGMTHCX-UHFFFAOYSA-N 0 3 393.517 0.479 20 0 GCADHN C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821583499 606404776 /nfs/dbraw/zinc/40/47/76/606404776.db2.gz XUZZGXJBTHYYRI-UHFFFAOYSA-N 0 3 397.480 0.310 20 0 GCADHN C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821583499 606404777 /nfs/dbraw/zinc/40/47/77/606404777.db2.gz XUZZGXJBTHYYRI-UHFFFAOYSA-N 0 3 397.480 0.310 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000821581872 606603592 /nfs/dbraw/zinc/60/35/92/606603592.db2.gz WXXVUHZXUGBDKH-CVEARBPZSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821581872 606603593 /nfs/dbraw/zinc/60/35/93/606603593.db2.gz WXXVUHZXUGBDKH-CVEARBPZSA-N 0 3 399.503 0.966 20 0 GCADHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822996830 606619184 /nfs/dbraw/zinc/61/91/84/606619184.db2.gz JTKAZUXITOQRLU-MRXNPFEDSA-N 0 3 385.472 0.137 20 0 GCADHN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000819876948 606623080 /nfs/dbraw/zinc/62/30/80/606623080.db2.gz KWAXFDLSUZNCPD-HUUCEWRRSA-N 0 3 385.472 0.848 20 0 GCADHN C[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C[NH+](C)C ZINC000820365526 606639911 /nfs/dbraw/zinc/63/99/11/606639911.db2.gz KTAFJDZNLJXBPC-GFCCVEGCSA-N 0 3 375.481 0.949 20 0 GCADHN C[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C[NH+](C)C ZINC000820365526 606639912 /nfs/dbraw/zinc/63/99/12/606639912.db2.gz KTAFJDZNLJXBPC-GFCCVEGCSA-N 0 3 375.481 0.949 20 0 GCADHN C[C@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)C(C)(C)C[NH+](C)C ZINC000820366007 606639984 /nfs/dbraw/zinc/63/99/84/606639984.db2.gz MYNBPFCOMGWATP-LBPRGKRZSA-N 0 3 375.481 0.949 20 0 GCADHN C[C@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)C(C)(C)C[NH+](C)C ZINC000820366007 606639985 /nfs/dbraw/zinc/63/99/85/606639985.db2.gz MYNBPFCOMGWATP-LBPRGKRZSA-N 0 3 375.481 0.949 20 0 GCADHN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821240950 606668622 /nfs/dbraw/zinc/66/86/22/606668622.db2.gz KCSLLNHQWIBFQS-XJKSGUPXSA-N 0 3 399.503 0.870 20 0 GCADHN CC[N@H+]1C[C@H](C)[C@H](NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821240950 606668623 /nfs/dbraw/zinc/66/86/23/606668623.db2.gz KCSLLNHQWIBFQS-XJKSGUPXSA-N 0 3 399.503 0.870 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821239762 606678918 /nfs/dbraw/zinc/67/89/18/606678918.db2.gz CRVVVEPOFUOHAO-UKRRQHHQSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821239762 606678919 /nfs/dbraw/zinc/67/89/19/606678919.db2.gz CRVVVEPOFUOHAO-UKRRQHHQSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821239396 606678985 /nfs/dbraw/zinc/67/89/85/606678985.db2.gz BELVANUZAPBMIU-HIFRSBDPSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821239396 606678986 /nfs/dbraw/zinc/67/89/86/606678986.db2.gz BELVANUZAPBMIU-HIFRSBDPSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821239396 606678987 /nfs/dbraw/zinc/67/89/87/606678987.db2.gz BELVANUZAPBMIU-HIFRSBDPSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821239396 606678988 /nfs/dbraw/zinc/67/89/88/606678988.db2.gz BELVANUZAPBMIU-HIFRSBDPSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)[C@@H](C)C1 ZINC000821239441 606694729 /nfs/dbraw/zinc/69/47/29/606694729.db2.gz BLGGVHNVMWCQBX-NHYWBVRUSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)[C@@H](C)C1 ZINC000821239441 606694730 /nfs/dbraw/zinc/69/47/30/606694730.db2.gz BLGGVHNVMWCQBX-NHYWBVRUSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)[C@@H](C)C1 ZINC000821239441 606694731 /nfs/dbraw/zinc/69/47/31/606694731.db2.gz BLGGVHNVMWCQBX-NHYWBVRUSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)[C@@H](C)C1 ZINC000821239441 606694732 /nfs/dbraw/zinc/69/47/32/606694732.db2.gz BLGGVHNVMWCQBX-NHYWBVRUSA-N 0 3 381.444 0.705 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000822637408 606718884 /nfs/dbraw/zinc/71/88/84/606718884.db2.gz QCBSFEWOXNRZDG-IAGOWNOFSA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000822637408 606718886 /nfs/dbraw/zinc/71/88/86/606718886.db2.gz QCBSFEWOXNRZDG-IAGOWNOFSA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000822637408 606718888 /nfs/dbraw/zinc/71/88/88/606718888.db2.gz QCBSFEWOXNRZDG-IAGOWNOFSA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000822637408 606718890 /nfs/dbraw/zinc/71/88/90/606718890.db2.gz QCBSFEWOXNRZDG-IAGOWNOFSA-N 0 3 395.467 0.818 20 0 GCADHN Fc1cccnc1N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000822796271 606734404 /nfs/dbraw/zinc/73/44/04/606734404.db2.gz ONBMVKFKQYSPFJ-RYUDHWBXSA-N 0 3 384.423 0.508 20 0 GCADHN Fc1cccnc1N1CC[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000822796271 606734406 /nfs/dbraw/zinc/73/44/06/606734406.db2.gz ONBMVKFKQYSPFJ-RYUDHWBXSA-N 0 3 384.423 0.508 20 0 GCADHN C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000821621750 606739630 /nfs/dbraw/zinc/73/96/30/606739630.db2.gz FBIINUCNDZSYKP-UHFFFAOYSA-N 0 3 377.836 0.917 20 0 GCADHN C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000821621750 606739632 /nfs/dbraw/zinc/73/96/32/606739632.db2.gz FBIINUCNDZSYKP-UHFFFAOYSA-N 0 3 377.836 0.917 20 0 GCADHN C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)C1CC1 ZINC000821580087 606739688 /nfs/dbraw/zinc/73/96/88/606739688.db2.gz YUZCAUCTXMGILY-CYBMUJFWSA-N 0 3 377.836 0.915 20 0 GCADHN C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)C1CC1 ZINC000821580088 606739912 /nfs/dbraw/zinc/73/99/12/606739912.db2.gz YUZCAUCTXMGILY-ZDUSSCGKSA-N 0 3 377.836 0.915 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000821810193 606773934 /nfs/dbraw/zinc/77/39/34/606773934.db2.gz XKIUDGPPWDANIG-JSGCOSHPSA-N 0 3 380.474 0.683 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000821810193 606773936 /nfs/dbraw/zinc/77/39/36/606773936.db2.gz XKIUDGPPWDANIG-JSGCOSHPSA-N 0 3 380.474 0.683 20 0 GCADHN OCCCOC1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823722454 606776619 /nfs/dbraw/zinc/77/66/19/606776619.db2.gz QOXLTOAMPJZPSX-OAHLLOKOSA-N 0 3 377.445 0.470 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000820752973 606810704 /nfs/dbraw/zinc/81/07/04/606810704.db2.gz VCAPCJRNKYBQOM-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000820752973 606810706 /nfs/dbraw/zinc/81/07/06/606810706.db2.gz VCAPCJRNKYBQOM-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000820752973 606810708 /nfs/dbraw/zinc/81/07/08/606810708.db2.gz VCAPCJRNKYBQOM-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000820752973 606810710 /nfs/dbraw/zinc/81/07/10/606810710.db2.gz VCAPCJRNKYBQOM-ZBFHGGJFSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)[C@@H](C)C1 ZINC000820753316 606810756 /nfs/dbraw/zinc/81/07/56/606810756.db2.gz XXODHZAHAQSDRS-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)[C@@H](C)C1 ZINC000820753316 606810757 /nfs/dbraw/zinc/81/07/57/606810757.db2.gz XXODHZAHAQSDRS-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[C@@H](C)C1 ZINC000820753316 606810758 /nfs/dbraw/zinc/81/07/58/606810758.db2.gz XXODHZAHAQSDRS-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[C@@H](C)C1 ZINC000820753316 606810759 /nfs/dbraw/zinc/81/07/59/606810759.db2.gz XXODHZAHAQSDRS-HOCLYGCPSA-N 0 3 399.503 0.822 20 0 GCADHN C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000821587120 606818477 /nfs/dbraw/zinc/81/84/77/606818477.db2.gz HQLRRFICLJLBBO-UHFFFAOYSA-N 0 3 387.379 0.341 20 0 GCADHN C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000821587120 606818478 /nfs/dbraw/zinc/81/84/78/606818478.db2.gz HQLRRFICLJLBBO-UHFFFAOYSA-N 0 3 387.379 0.341 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000821400571 606837553 /nfs/dbraw/zinc/83/75/53/606837553.db2.gz LPNSIFLIBHLTPF-FZMZJTMJSA-N 0 3 387.444 0.612 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820750310 606838405 /nfs/dbraw/zinc/83/84/05/606838405.db2.gz ARGPZXUFIWNLEB-QMTHXVAHSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820750310 606838406 /nfs/dbraw/zinc/83/84/06/606838406.db2.gz ARGPZXUFIWNLEB-QMTHXVAHSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820750310 606838407 /nfs/dbraw/zinc/83/84/07/606838407.db2.gz ARGPZXUFIWNLEB-QMTHXVAHSA-N 0 3 375.408 0.789 20 0 GCADHN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820750310 606838408 /nfs/dbraw/zinc/83/84/08/606838408.db2.gz ARGPZXUFIWNLEB-QMTHXVAHSA-N 0 3 375.408 0.789 20 0 GCADHN COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696783 606862994 /nfs/dbraw/zinc/86/29/94/606862994.db2.gz PRVGQRCSGJMYGC-VXGBXAGGSA-N 0 3 397.443 0.536 20 0 GCADHN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000821400221 606885033 /nfs/dbraw/zinc/88/50/33/606885033.db2.gz HJRMGWQUVRUHKO-IAQYHMDHSA-N 0 3 399.455 0.803 20 0 GCADHN O=C(C1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1)N1CCOCC1 ZINC000822917738 606885702 /nfs/dbraw/zinc/88/57/02/606885702.db2.gz WBMMGUJHHCPZRN-QGZVFWFLSA-N 0 3 386.456 0.471 20 0 GCADHN NC(=O)c1cc([C@H]2CCC[N@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000822880316 606906373 /nfs/dbraw/zinc/90/63/73/606906373.db2.gz MPKCBKLHENHEGZ-BBRMVZONSA-N 0 3 382.428 0.602 20 0 GCADHN NC(=O)c1cc([C@H]2CCC[N@@H+](C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000822880316 606906375 /nfs/dbraw/zinc/90/63/75/606906375.db2.gz MPKCBKLHENHEGZ-BBRMVZONSA-N 0 3 382.428 0.602 20 0 GCADHN C[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)C[C@@H](O)CN1CCOCC1 ZINC000821600450 606909350 /nfs/dbraw/zinc/90/93/50/606909350.db2.gz NCAAOPGEUAJMEK-MRXNPFEDSA-N 0 3 376.461 0.261 20 0 GCADHN C[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)C[C@@H](O)CN1CCOCC1 ZINC000821600450 606909352 /nfs/dbraw/zinc/90/93/52/606909352.db2.gz NCAAOPGEUAJMEK-MRXNPFEDSA-N 0 3 376.461 0.261 20 0 GCADHN C[N@H+](CCCOc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)CN1CCOCC1 ZINC000821600450 606909354 /nfs/dbraw/zinc/90/93/54/606909354.db2.gz NCAAOPGEUAJMEK-MRXNPFEDSA-N 0 3 376.461 0.261 20 0 GCADHN C[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)C[C@@H](O)CN1CCOCC1 ZINC000821600450 606909356 /nfs/dbraw/zinc/90/93/56/606909356.db2.gz NCAAOPGEUAJMEK-MRXNPFEDSA-N 0 3 376.461 0.261 20 0 GCADHN CN(C1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1)S(C)(=O)=O ZINC000821592858 606921187 /nfs/dbraw/zinc/92/11/87/606921187.db2.gz ZAFMLAUNGSBDOE-UHFFFAOYSA-N 0 3 394.501 0.991 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)C2 ZINC000823821374 606922179 /nfs/dbraw/zinc/92/21/79/606922179.db2.gz TWJRTANYLQVQKY-BPUTZDHNSA-N 0 3 387.492 0.338 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)C2 ZINC000823821374 606922181 /nfs/dbraw/zinc/92/21/81/606922181.db2.gz TWJRTANYLQVQKY-BPUTZDHNSA-N 0 3 387.492 0.338 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821623654 607083193 /nfs/dbraw/zinc/08/31/93/607083193.db2.gz PRCBVSSPCJWHGS-MRXNPFEDSA-N 0 3 398.471 0.044 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821623653 607083253 /nfs/dbraw/zinc/08/32/53/607083253.db2.gz PRCBVSSPCJWHGS-INIZCTEOSA-N 0 3 398.471 0.044 20 0 GCADHN C[N@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821615575 607091704 /nfs/dbraw/zinc/09/17/04/607091704.db2.gz CQYKYQJQDOJGDO-UHFFFAOYSA-N 0 3 389.485 0.975 20 0 GCADHN C[N@@H+](Cc1cn2ccccc2c1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821615575 607091705 /nfs/dbraw/zinc/09/17/05/607091705.db2.gz CQYKYQJQDOJGDO-UHFFFAOYSA-N 0 3 389.485 0.975 20 0 GCADHN C[N@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)C1CCN(S(C)(=O)=O)CC1 ZINC000821615575 607091706 /nfs/dbraw/zinc/09/17/06/607091706.db2.gz CQYKYQJQDOJGDO-UHFFFAOYSA-N 0 3 389.485 0.975 20 0 GCADHN C[N@@H+](Cc1cn2ccccc2c1-c1nn[n-]n1)C1CCN(S(C)(=O)=O)CC1 ZINC000821615575 607091707 /nfs/dbraw/zinc/09/17/07/607091707.db2.gz CQYKYQJQDOJGDO-UHFFFAOYSA-N 0 3 389.485 0.975 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC000821625977 607101413 /nfs/dbraw/zinc/10/14/13/607101413.db2.gz ZNPMSLOYXKBHMC-LSDHHAIUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC000821625977 607101414 /nfs/dbraw/zinc/10/14/14/607101414.db2.gz ZNPMSLOYXKBHMC-LSDHHAIUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC000821625977 607101415 /nfs/dbraw/zinc/10/14/15/607101415.db2.gz ZNPMSLOYXKBHMC-LSDHHAIUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC000821625977 607101416 /nfs/dbraw/zinc/10/14/16/607101416.db2.gz ZNPMSLOYXKBHMC-LSDHHAIUSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625709 607103014 /nfs/dbraw/zinc/10/30/14/607103014.db2.gz UNVKZRPKNCYHCH-HIFRSBDPSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625709 607103017 /nfs/dbraw/zinc/10/30/17/607103017.db2.gz UNVKZRPKNCYHCH-HIFRSBDPSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625709 607103018 /nfs/dbraw/zinc/10/30/18/607103018.db2.gz UNVKZRPKNCYHCH-HIFRSBDPSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CCC[C@@H]2CN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625709 607103020 /nfs/dbraw/zinc/10/30/20/607103020.db2.gz UNVKZRPKNCYHCH-HIFRSBDPSA-N 0 3 385.476 0.799 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[NH2+]C(C)(C)C ZINC000820445990 607156436 /nfs/dbraw/zinc/15/64/36/607156436.db2.gz SOMYNCCGJSGBRN-LLVKDONJSA-N 0 3 395.489 0.038 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[NH2+]C(C)(C)C ZINC000820445990 607156437 /nfs/dbraw/zinc/15/64/37/607156437.db2.gz SOMYNCCGJSGBRN-LLVKDONJSA-N 0 3 395.489 0.038 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314416 607182932 /nfs/dbraw/zinc/18/29/32/607182932.db2.gz IPDGAVBDHFYYFS-LBPRGKRZSA-N 0 3 397.443 0.441 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@H]1[NH+](C)C ZINC000820733677 607183781 /nfs/dbraw/zinc/18/37/81/607183781.db2.gz ICGUYHOQGSAZGH-NOZJJQNGSA-N 0 3 377.836 0.867 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@@H]1[NH+](C)C ZINC000820733680 607184038 /nfs/dbraw/zinc/18/40/38/607184038.db2.gz ICGUYHOQGSAZGH-ZANVPECISA-N 0 3 377.836 0.867 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@H]1CCO[C@]3(CCSC3)C1)C2 ZINC000823821701 607230145 /nfs/dbraw/zinc/23/01/45/607230145.db2.gz XWXQHVIMYBQBCE-MQIPJXDCSA-N 0 3 376.490 0.749 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@H]1CCO[C@]3(CCSC3)C1)C2 ZINC000823821701 607230146 /nfs/dbraw/zinc/23/01/46/607230146.db2.gz XWXQHVIMYBQBCE-MQIPJXDCSA-N 0 3 376.490 0.749 20 0 GCADHN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc(-c2nnn[n-]2)o1 ZINC000825870421 607813020 /nfs/dbraw/zinc/81/30/20/607813020.db2.gz LUSYNRYFOAKTAO-INIZCTEOSA-N 0 3 383.456 0.838 20 0 GCADHN C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC000826022263 607928909 /nfs/dbraw/zinc/92/89/09/607928909.db2.gz HUGVVWNLJAZIOY-HNNXBMFYSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@H+](CCO)C1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825942036 608014915 /nfs/dbraw/zinc/01/49/15/608014915.db2.gz SPLWXMOLWCYPJR-UHFFFAOYSA-N 0 3 376.486 0.874 20 0 GCADHN C[N@@H+](CCO)C1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825942036 608014916 /nfs/dbraw/zinc/01/49/16/608014916.db2.gz SPLWXMOLWCYPJR-UHFFFAOYSA-N 0 3 376.486 0.874 20 0 GCADHN C[N@H+](CCO)C1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825942036 608014917 /nfs/dbraw/zinc/01/49/17/608014917.db2.gz SPLWXMOLWCYPJR-UHFFFAOYSA-N 0 3 376.486 0.874 20 0 GCADHN C[N@@H+](CCO)C1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825942036 608014918 /nfs/dbraw/zinc/01/49/18/608014918.db2.gz SPLWXMOLWCYPJR-UHFFFAOYSA-N 0 3 376.486 0.874 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](c2ccccc2)N(C)C)c1-c1nnn[n-]1 ZINC000826073100 608019243 /nfs/dbraw/zinc/01/92/43/608019243.db2.gz DWKPRXALONMEIY-HNNXBMFYSA-N 0 3 383.460 0.983 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](c2ccccc2)N(C)C)c1-c1nn[n-]n1 ZINC000826073100 608019244 /nfs/dbraw/zinc/01/92/44/608019244.db2.gz DWKPRXALONMEIY-HNNXBMFYSA-N 0 3 383.460 0.983 20 0 GCADHN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(-n2ccnc2)nc1 ZINC000825934726 608035947 /nfs/dbraw/zinc/03/59/47/608035947.db2.gz QUWHEDGGTFQCRD-UHFFFAOYSA-N 0 3 379.432 0.817 20 0 GCADHN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccc(-n2ccnc2)nc1 ZINC000825934726 608035948 /nfs/dbraw/zinc/03/59/48/608035948.db2.gz QUWHEDGGTFQCRD-UHFFFAOYSA-N 0 3 379.432 0.817 20 0 GCADHN CN1C(=O)NC2(CC[NH+](CCCOc3cccc(-c4nn[n-]n4)c3)CC2)C1=O ZINC000826017923 608043685 /nfs/dbraw/zinc/04/36/85/608043685.db2.gz PLMLRIOEBIUTDE-UHFFFAOYSA-N 0 3 385.428 0.652 20 0 GCADHN CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000824103484 608100661 /nfs/dbraw/zinc/10/06/61/608100661.db2.gz BXVDKVNUOFYTPJ-LLVKDONJSA-N 0 3 389.464 0.561 20 0 GCADHN CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000824103484 608100662 /nfs/dbraw/zinc/10/06/62/608100662.db2.gz BXVDKVNUOFYTPJ-LLVKDONJSA-N 0 3 389.464 0.561 20 0 GCADHN FC(F)COc1ncccc1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000826369625 608113907 /nfs/dbraw/zinc/11/39/07/608113907.db2.gz KPFYQVWPSMWWQT-JTQLQIEISA-N 0 3 391.386 0.934 20 0 GCADHN FC(F)COc1ncccc1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000826369625 608113908 /nfs/dbraw/zinc/11/39/08/608113908.db2.gz KPFYQVWPSMWWQT-JTQLQIEISA-N 0 3 391.386 0.934 20 0 GCADHN C[C@@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824970470 608121379 /nfs/dbraw/zinc/12/13/79/608121379.db2.gz XUGJTDIMMGPUNL-NVXWUHKLSA-N 0 3 399.499 0.730 20 0 GCADHN CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCC(=O)NCCC[NH+](C)C)n1 ZINC000825560638 609173932 /nfs/dbraw/zinc/17/39/32/609173932.db2.gz UPUQFSSQZXXSDO-UHFFFAOYSA-N 0 3 393.473 0.598 20 0 GCADHN CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCC(=O)NCCC[NH+](C)C)n1 ZINC000825560638 609173934 /nfs/dbraw/zinc/17/39/34/609173934.db2.gz UPUQFSSQZXXSDO-UHFFFAOYSA-N 0 3 393.473 0.598 20 0 GCADHN O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000826397431 609188168 /nfs/dbraw/zinc/18/81/68/609188168.db2.gz CZWIIWKDIYGLSS-KRWDZBQOSA-N 0 3 385.472 0.140 20 0 GCADHN O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000826397431 609188169 /nfs/dbraw/zinc/18/81/69/609188169.db2.gz CZWIIWKDIYGLSS-KRWDZBQOSA-N 0 3 385.472 0.140 20 0 GCADHN CC[NH+](CC)CCN(CCOC)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825413189 609223621 /nfs/dbraw/zinc/22/36/21/609223621.db2.gz YFGSVKWRAWLGQD-INIZCTEOSA-N 0 3 376.461 0.717 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826033463 609226719 /nfs/dbraw/zinc/22/67/19/609226719.db2.gz DOPPCZGOTGIJIG-ROUUACIJSA-N 0 3 399.499 0.529 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826033463 609226721 /nfs/dbraw/zinc/22/67/21/609226721.db2.gz DOPPCZGOTGIJIG-ROUUACIJSA-N 0 3 399.499 0.529 20 0 GCADHN C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826028953 609231460 /nfs/dbraw/zinc/23/14/60/609231460.db2.gz LCQNHANJIWISDN-SJORKVTESA-N 0 3 385.472 0.139 20 0 GCADHN C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826028953 609231461 /nfs/dbraw/zinc/23/14/61/609231461.db2.gz LCQNHANJIWISDN-SJORKVTESA-N 0 3 385.472 0.139 20 0 GCADHN O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431001 609234233 /nfs/dbraw/zinc/23/42/33/609234233.db2.gz PHLWGDIFZSCIAG-SUMWQHHRSA-N 0 3 386.456 0.517 20 0 GCADHN O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431001 609234235 /nfs/dbraw/zinc/23/42/35/609234235.db2.gz PHLWGDIFZSCIAG-SUMWQHHRSA-N 0 3 386.456 0.517 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824705815 609243701 /nfs/dbraw/zinc/24/37/01/609243701.db2.gz FIDNYLGSIAUPAM-CXAGYDPISA-N 0 3 388.472 0.451 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824705815 609243702 /nfs/dbraw/zinc/24/37/02/609243702.db2.gz FIDNYLGSIAUPAM-CXAGYDPISA-N 0 3 388.472 0.451 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825851042 609253765 /nfs/dbraw/zinc/25/37/65/609253765.db2.gz STNAHDNUPOHMFQ-WCXIOVBPSA-N 0 3 386.456 0.610 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825851042 609253766 /nfs/dbraw/zinc/25/37/66/609253766.db2.gz STNAHDNUPOHMFQ-WCXIOVBPSA-N 0 3 386.456 0.610 20 0 GCADHN Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000826356717 609406087 /nfs/dbraw/zinc/40/60/87/609406087.db2.gz CKZQSUXFKWPIMI-CQSZACIVSA-N 0 3 397.443 0.489 20 0 GCADHN Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000826356717 609406088 /nfs/dbraw/zinc/40/60/88/609406088.db2.gz CKZQSUXFKWPIMI-CQSZACIVSA-N 0 3 397.443 0.489 20 0 GCADHN CN(CCC[NH+](C)C)CC[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867506039 638431151 /nfs/dbraw/zinc/43/11/51/638431151.db2.gz MAGHKSVOKMQWAV-UHFFFAOYSA-N 0 3 382.328 0.344 20 0 GCADHN CN(CC(C)(C)C[NH+](C)C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000890885111 638454118 /nfs/dbraw/zinc/45/41/18/638454118.db2.gz ABGAHSVZGFWSMT-UHFFFAOYSA-N 0 3 375.267 0.758 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1cnn(C)c1I ZINC000933737324 638512327 /nfs/dbraw/zinc/51/23/27/638512327.db2.gz PCTMABWROIJIOM-UHFFFAOYSA-N 0 3 381.218 0.460 20 0 GCADHN CS(=O)(=O)N1CCC(NC(=O)CN2CCCSC[C@@H]2C2CC2)CC1 ZINC000933911925 638516412 /nfs/dbraw/zinc/51/64/12/638516412.db2.gz HFCPWMJLDDGHKA-OAHLLOKOSA-N 0 3 375.560 0.744 20 0 GCADHN C[C@@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)CC[C@@H]1N1CCN(C)CC1 ZINC000893046632 638607789 /nfs/dbraw/zinc/60/77/89/638607789.db2.gz HBUPJUBZYDHBIX-OLZOCXBDSA-N 0 3 387.937 0.845 20 0 GCADHN CN(C)C[C@H]1NC(=O)N(CCCNS(=O)(=O)c2ccccc2Cl)C1=O ZINC000924875095 638665367 /nfs/dbraw/zinc/66/53/67/638665367.db2.gz AEEOOPOPAGJNON-GFCCVEGCSA-N 0 3 388.877 0.490 20 0 GCADHN C[C@H](CNCc1c(I)cnn1C)N1CCN(C)CC1 ZINC000894242448 638685032 /nfs/dbraw/zinc/68/50/32/638685032.db2.gz LTOKXMBPJYJSDP-LLVKDONJSA-N 0 3 377.274 0.750 20 0 GCADHN COc1ccc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1 ZINC000261813108 638686424 /nfs/dbraw/zinc/68/64/24/638686424.db2.gz WZZSMGDAMKJFFD-CYBMUJFWSA-N 0 3 385.383 0.949 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NCCN(C)CCO)c1 ZINC000925010587 638692819 /nfs/dbraw/zinc/69/28/19/638692819.db2.gz OOYZNXGEVUNVBP-UHFFFAOYSA-N 0 3 375.466 0.509 20 0 GCADHN O=C(NCCn1cc(Br)cn1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894801213 638711668 /nfs/dbraw/zinc/71/16/68/638711668.db2.gz WJDHYYBYNVBGMU-KGLIPLIRSA-N 0 3 386.294 0.886 20 0 GCADHN C[C@@H]1[C@H](NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCN1C ZINC000928448240 638714502 /nfs/dbraw/zinc/71/45/02/638714502.db2.gz MYJPVOPUVXOGNR-RKDXNWHRSA-N 0 3 383.250 0.101 20 0 GCADHN CC(C)(CNC(=S)NCCNS(C)(=O)=O)N1CCc2ccccc2C1 ZINC000727071152 638732281 /nfs/dbraw/zinc/73/22/81/638732281.db2.gz CBHQUPXQQYYBLT-UHFFFAOYSA-N 0 3 384.571 0.837 20 0 GCADHN Cn1nc(Br)nc1CN[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000895687012 639028054 /nfs/dbraw/zinc/02/80/54/639028054.db2.gz YNXZLOIJXPWQSD-CYBMUJFWSA-N 0 3 387.326 0.464 20 0 GCADHN Cc1[nH]nc(I)c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000895991719 639035581 /nfs/dbraw/zinc/03/55/81/639035581.db2.gz ZNHOPOFGGPFHFD-NXEZZACHSA-N 0 3 390.225 0.916 20 0 GCADHN Cc1[nH]nc(I)c1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000895991721 639035669 /nfs/dbraw/zinc/03/56/69/639035669.db2.gz ZNHOPOFGGPFHFD-VHSXEESVSA-N 0 3 390.225 0.916 20 0 GCADHN Cc1[nH]nc(I)c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000895991720 639035916 /nfs/dbraw/zinc/03/59/16/639035916.db2.gz ZNHOPOFGGPFHFD-UWVGGRQHSA-N 0 3 390.225 0.916 20 0 GCADHN Cn1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(Br)n1 ZINC000896009051 639036352 /nfs/dbraw/zinc/03/63/52/639036352.db2.gz JPIFEAACXXATCN-GFCCVEGCSA-N 0 3 384.278 0.737 20 0 GCADHN Cn1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c(Br)n1 ZINC000896585630 639054688 /nfs/dbraw/zinc/05/46/88/639054688.db2.gz VWQITWLAUDZFKG-STQMWFEESA-N 0 3 386.294 0.923 20 0 GCADHN Cn1cc(S(=O)(=O)[N-]CCN2CCC([NH+](C)C)CC2)c(Br)n1 ZINC000866918620 639102039 /nfs/dbraw/zinc/10/20/39/639102039.db2.gz ZHRRBRYITYKFAP-UHFFFAOYSA-N 0 3 394.339 0.487 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)c(OC)c1 ZINC000262743268 639135204 /nfs/dbraw/zinc/13/52/04/639135204.db2.gz CXIDKCFZYOSPEW-WCQYABFASA-N 0 3 391.515 0.876 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H]2CCC[NH2+]CC2)c1I ZINC000866760121 639231707 /nfs/dbraw/zinc/23/17/07/639231707.db2.gz GYIBGPRBPSJCGR-QMMMGPOBSA-N 0 3 384.243 0.445 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1c[nH]nc1I ZINC000898721071 639245730 /nfs/dbraw/zinc/24/57/30/639245730.db2.gz JOITWEGYVDRYMJ-UHFFFAOYSA-N 0 3 393.229 0.106 20 0 GCADHN CN(CCO)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000899726361 639272499 /nfs/dbraw/zinc/27/24/99/639272499.db2.gz MJSPHXSIAXTNRG-UHFFFAOYSA-N 0 3 384.285 0.312 20 0 GCADHN CN(CCO)CCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000899732088 639272661 /nfs/dbraw/zinc/27/26/61/639272661.db2.gz UQHGPMVJQQPJHT-UHFFFAOYSA-N 0 3 378.292 0.623 20 0 GCADHN CN(CCO)CCNC(=O)COc1cccc(I)c1 ZINC000899737265 639273408 /nfs/dbraw/zinc/27/34/08/639273408.db2.gz FFVAKLOAGRPEJD-UHFFFAOYSA-N 0 3 378.210 0.710 20 0 GCADHN Cn1cc(I)c(C(=O)NCCCN2CCN(C)CC2)n1 ZINC000899991739 639280578 /nfs/dbraw/zinc/28/05/78/639280578.db2.gz YGBKMHGVVPVDLS-UHFFFAOYSA-N 0 3 391.257 0.392 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccnn1Cc1ccc(Cl)s1 ZINC000906679445 639328464 /nfs/dbraw/zinc/32/84/64/639328464.db2.gz LUROBCKZBNSXAZ-JTQLQIEISA-N 0 3 383.861 0.689 20 0 GCADHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C2CN(S(C)(=O)=O)C2)C1 ZINC000907568213 639400839 /nfs/dbraw/zinc/40/08/39/639400839.db2.gz UXYKPYUNBHDEET-CYBMUJFWSA-N 0 3 386.543 0.623 20 0 GCADHN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000908204770 639444636 /nfs/dbraw/zinc/44/46/36/639444636.db2.gz WZEBLGWRVXKOJL-NEPJUHHUSA-N 0 3 387.267 0.786 20 0 GCADHN Cn1cc(C(=O)NC[C@H]2CCCN2CCCO)c(I)n1 ZINC000908526423 639460992 /nfs/dbraw/zinc/46/09/92/639460992.db2.gz LQZVDABSAXGZCO-SNVBAGLBSA-N 0 3 392.241 0.601 20 0 GCADHN O=C(CNC(=O)Cn1ccc(Br)cc1=O)NCCN1CCCCC1 ZINC000909311650 639477125 /nfs/dbraw/zinc/47/71/25/639477125.db2.gz MVZJLGSFXOBDPO-UHFFFAOYSA-N 0 3 399.289 0.329 20 0 GCADHN CN1CCNC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000912039296 639527492 /nfs/dbraw/zinc/52/74/92/639527492.db2.gz BLEADJWEXXPHFH-LLVKDONJSA-N 0 3 392.934 0.138 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](C)N2CCCC[C@H]2C)CC1 ZINC000919942225 639909739 /nfs/dbraw/zinc/90/97/39/639909739.db2.gz KWWYNCNPZWTENF-HUUCEWRRSA-N 0 3 376.523 0.858 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)CC1 ZINC000919939043 639909823 /nfs/dbraw/zinc/90/98/23/639909823.db2.gz JVBWVYWPCHEUCE-UHFFFAOYSA-N 0 3 376.523 0.810 20 0 GCADHN O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N[C@H]1CCN(C2CC2)C1 ZINC000734278198 639994608 /nfs/dbraw/zinc/99/46/08/639994608.db2.gz PTYRAHMVMVQANK-LBPRGKRZSA-N 0 3 380.461 0.787 20 0 GCADHN C[C@H]1[C@H](NC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)CCN1C ZINC000925344461 640066147 /nfs/dbraw/zinc/06/61/47/640066147.db2.gz QDCPCGRDBSYLBJ-IRCOFANPSA-N 0 3 386.440 0.543 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCCS(N)(=O)=O ZINC000923214865 640133434 /nfs/dbraw/zinc/13/34/34/640133434.db2.gz WIJGZDUNIWKHGO-UHFFFAOYSA-N 0 3 378.445 0.717 20 0 GCADHN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923592146 640144426 /nfs/dbraw/zinc/14/44/26/640144426.db2.gz ONDMSOINSSVDJG-LBPRGKRZSA-N 0 3 387.893 0.536 20 0 GCADHN COc1cc(CNS(=O)(=O)N2CCNCC2)cc(Br)c1OC ZINC000923601610 640148556 /nfs/dbraw/zinc/14/85/56/640148556.db2.gz SWHRXPCYQUGESZ-UHFFFAOYSA-N 0 3 394.291 0.706 20 0 GCADHN Cc1cc(NC(=O)CNS(=O)(=O)N2CCNCC2)ccc1Br ZINC000923601373 640148635 /nfs/dbraw/zinc/14/86/35/640148635.db2.gz OQVLRPKHRBLXDS-UHFFFAOYSA-N 0 3 391.291 0.436 20 0 GCADHN CCC[C@@H](NS(=O)(=O)N1CCNCC1)C(=O)N1CCc2sccc2C1 ZINC000923603171 640151836 /nfs/dbraw/zinc/15/18/36/640151836.db2.gz JFBMDHAIKONTFW-CQSZACIVSA-N 0 3 386.543 0.541 20 0 GCADHN Cn1cnc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1Cl ZINC000103162571 640188001 /nfs/dbraw/zinc/18/80/01/640188001.db2.gz HPILCBPAKHJYIS-UHFFFAOYSA-N 0 3 375.882 0.002 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N(C)C1CCOCC1 ZINC000739953188 640202159 /nfs/dbraw/zinc/20/21/59/640202159.db2.gz GLMVDSCSACWKEL-QGZVFWFLSA-N 0 3 376.567 0.690 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CS[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000751448198 640384644 /nfs/dbraw/zinc/38/46/44/640384644.db2.gz DAPZIJZZSFREAR-ZNMIVQPWSA-N 0 3 378.560 0.912 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CS[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000751448195 640384724 /nfs/dbraw/zinc/38/47/24/640384724.db2.gz DAPZIJZZSFREAR-RBSFLKMASA-N 0 3 378.560 0.912 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC[C@H]2CSCCS2)CC1 ZINC000805158397 640519835 /nfs/dbraw/zinc/51/98/35/640519835.db2.gz YJJODXZMKVGNDI-AWEZNQCLSA-N 0 3 389.587 0.957 20 0 GCADHN CN1CC[C@](O)(CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)C1 ZINC000762713922 640613846 /nfs/dbraw/zinc/61/38/46/640613846.db2.gz AUJJJKOIDIQQJY-INIZCTEOSA-N 0 3 387.889 0.676 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000769439983 640774388 /nfs/dbraw/zinc/77/43/88/640774388.db2.gz FTADYWXWVDMGLZ-NSHDSACASA-N 0 3 375.882 0.001 20 0 GCADHN CCN(CCO)CCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000769639217 640779708 /nfs/dbraw/zinc/77/97/08/640779708.db2.gz KLZPQZGBEIUKMU-UHFFFAOYSA-N 0 3 389.905 0.778 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccnc1Br ZINC000770805633 640814732 /nfs/dbraw/zinc/81/47/32/640814732.db2.gz ZRPLMMHPUCMZLN-GFCCVEGCSA-N 0 3 398.305 0.925 20 0 GCADHN CS[C@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C[C@H]1N(C)C ZINC000772845617 640850196 /nfs/dbraw/zinc/85/01/96/640850196.db2.gz LSQWNXVTOPIVLT-OLZOCXBDSA-N 0 3 383.495 0.335 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2CC2(Cl)Cl)CC1 ZINC000775162192 641069163 /nfs/dbraw/zinc/06/91/63/641069163.db2.gz CWVGKADBPIXDPE-CHWSQXEVSA-N 0 3 379.332 0.686 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CC2(Cl)Cl)CC1 ZINC000775198980 641073638 /nfs/dbraw/zinc/07/36/38/641073638.db2.gz ZHYYJIHPCWJJKB-NWDGAFQWSA-N 0 3 391.299 0.061 20 0 GCADHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCCS(=O)(=O)N1CCOCC1 ZINC000775628407 641081049 /nfs/dbraw/zinc/08/10/49/641081049.db2.gz QOPLRAYFZQMGPG-KGLIPLIRSA-N 0 3 377.507 0.684 20 0 GCADHN CCN1CCN(CCCNC(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000864866742 641271514 /nfs/dbraw/zinc/27/15/14/641271514.db2.gz XQBMMYFQWRYOSP-UHFFFAOYSA-N 0 3 385.306 0.755 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000865792997 641287476 /nfs/dbraw/zinc/28/74/76/641287476.db2.gz ZVTDATOAMLDLOK-ZDUSSCGKSA-N 0 3 385.306 0.753 20 0 GCADHN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000785796745 641317238 /nfs/dbraw/zinc/31/72/38/641317238.db2.gz SDZYQALEARDYLC-VXGBXAGGSA-N 0 3 389.499 0.013 20 0 GCADHN NS(=O)(=O)c1cc(Br)cnc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000785794275 641317251 /nfs/dbraw/zinc/31/72/51/641317251.db2.gz LTGBBTULHDBBGG-MNOVXSKESA-N 0 3 391.291 0.767 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C[NH3+])c1I ZINC000866741079 641321885 /nfs/dbraw/zinc/32/18/85/641321885.db2.gz ZQKLQAOTWMAROG-IUCAKERBSA-N 0 3 398.270 0.821 20 0 GCADHN C[C@H]1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2I)CC[NH2+]1 ZINC000866758426 641325578 /nfs/dbraw/zinc/32/55/78/641325578.db2.gz AUQOFABBIVCYMQ-JGVFFNPUSA-N 0 3 384.243 0.444 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C[C@@]2(C)CCC[NH2+]C2)c1I ZINC000866760919 641326255 /nfs/dbraw/zinc/32/62/55/641326255.db2.gz OSCOVRLBGVWMLC-NSHDSACASA-N 0 3 398.270 0.693 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C[C@]2(C)CCC[NH2+]C2)c1I ZINC000866760918 641326372 /nfs/dbraw/zinc/32/63/72/641326372.db2.gz OSCOVRLBGVWMLC-LLVKDONJSA-N 0 3 398.270 0.693 20 0 GCADHN C[C@@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866761043 641326395 /nfs/dbraw/zinc/32/63/95/641326395.db2.gz PGLSFYKQSXANIG-HTQZYQBOSA-N 0 3 384.243 0.301 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CC2=CC[NH2+]CC2)c1I ZINC000866760311 641326468 /nfs/dbraw/zinc/32/64/68/641326468.db2.gz IICINSQAFNEQLJ-UHFFFAOYSA-N 0 3 382.227 0.223 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2I)C1 ZINC000866764188 641327484 /nfs/dbraw/zinc/32/74/84/641327484.db2.gz LMFKGKAJVUPHGO-VIFPVBQESA-N 0 3 398.270 0.739 20 0 GCADHN CC(C)(C)OC(=O)NCCOCCN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000787728873 641354942 /nfs/dbraw/zinc/35/49/42/641354942.db2.gz DNDMPAPWAVMCRS-CQSZACIVSA-N 0 3 379.523 0.789 20 0 GCADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000867582680 641358609 /nfs/dbraw/zinc/35/86/09/641358609.db2.gz WZMHCHSHQPHRFB-SJORKVTESA-N 0 3 378.535 0.658 20 0 GCADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000867581460 641358683 /nfs/dbraw/zinc/35/86/83/641358683.db2.gz LHZYIXKPDMABOE-UHFFFAOYSA-N 0 3 398.591 0.820 20 0 GCADHN C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC[C@H]21 ZINC000867812278 641380678 /nfs/dbraw/zinc/38/06/78/641380678.db2.gz 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ZINC000923608102 641420962 /nfs/dbraw/zinc/42/09/62/641420962.db2.gz MULCQCVLKJRVRG-UHFFFAOYSA-N 0 3 387.575 0.657 20 0 GCADHN O=S(=O)(NCCOc1ncc(C(F)(F)F)cc1Cl)N1CCNCC1 ZINC000923619668 641439220 /nfs/dbraw/zinc/43/92/20/641439220.db2.gz KBTYOAPSDJGCQB-UHFFFAOYSA-N 0 3 388.799 0.872 20 0 GCADHN C[C@H](CNS(=O)(=O)N1CCNCC1)Oc1ccccc1Br ZINC000923624223 641446431 /nfs/dbraw/zinc/44/64/31/641446431.db2.gz NLUBEJDSRMUNKI-LLVKDONJSA-N 0 3 378.292 0.956 20 0 GCADHN CC(C)(C)OC(=O)CS(=O)(=O)CCNC[C@H]1CC2(CO1)CCOCC2 ZINC000872228843 641465610 /nfs/dbraw/zinc/46/56/10/641465610.db2.gz JTXALACRQKMFEM-CQSZACIVSA-N 0 3 377.503 0.918 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000793813046 641473805 /nfs/dbraw/zinc/47/38/05/641473805.db2.gz GTZPPEHYAVREHD-RBSFLKMASA-N 0 3 387.571 0.709 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000793813042 641473876 /nfs/dbraw/zinc/47/38/76/641473876.db2.gz GTZPPEHYAVREHD-KFWWJZLASA-N 0 3 387.571 0.709 20 0 GCADHN 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ORBZQVLENKMSBT-QGZVFWFLSA-N 0 3 395.529 0.615 20 0 GCADHN CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000636846191 1192327677 /nfs/dbraw/zinc/32/76/77/1192327677.db2.gz HUHAKYVVQGTXGI-OTWHNJEPSA-N 0 3 389.496 0.623 20 0 GCADHN CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000636846190 1192327842 /nfs/dbraw/zinc/32/78/42/1192327842.db2.gz HUHAKYVVQGTXGI-CEXWTWQISA-N 0 3 389.496 0.623 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC2(CCC2)O1 ZINC000563107678 1192339388 /nfs/dbraw/zinc/33/93/88/1192339388.db2.gz LGEZCOCZARWDPI-HOTGVXAUSA-N 0 3 394.516 0.215 20 0 GCADHN CCc1ccc([C@@H](CNC(=O)N2CCN(S(=O)(=O)NC)CC2)N(C)C)cc1 ZINC000663450309 1192342231 /nfs/dbraw/zinc/34/22/31/1192342231.db2.gz YEGSEFGHWUKFJU-QGZVFWFLSA-N 0 3 397.545 0.643 20 0 GCADHN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1 ZINC000408271010 1192352292 /nfs/dbraw/zinc/35/22/92/1192352292.db2.gz UEOJBTKKEBQTMK-UKRRQHHQSA-N 0 3 388.534 0.747 20 0 GCADHN O=C(NCc1ccc2c(c1)CCS2(=O)=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893617111 1192354330 /nfs/dbraw/zinc/35/43/30/1192354330.db2.gz OBIRVSKUBMZAQC-SJORKVTESA-N 0 3 393.509 0.757 20 0 GCADHN CCCCNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001268076450 1192358491 /nfs/dbraw/zinc/35/84/91/1192358491.db2.gz YPPMXMCYPJAVRL-QBYUYEEZSA-N 0 3 382.505 0.864 20 0 GCADHN CCS(=O)(=O)C1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000563144691 1192359369 /nfs/dbraw/zinc/35/93/69/1192359369.db2.gz XZXLDVJSIYYZEP-QGZVFWFLSA-N 0 3 393.509 0.497 20 0 GCADHN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CCO1 ZINC000585686612 1192369132 /nfs/dbraw/zinc/36/91/32/1192369132.db2.gz RHXVRSBHVAADKU-HNNXBMFYSA-N 0 3 397.516 0.936 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000663533009 1192376613 /nfs/dbraw/zinc/37/66/13/1192376613.db2.gz YQTWASXEZQONHN-UHFFFAOYSA-N 0 3 387.488 0.488 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000663545386 1192381197 /nfs/dbraw/zinc/38/11/97/1192381197.db2.gz AQCWONYNAXRXKZ-UHFFFAOYSA-N 0 3 393.488 0.546 20 0 GCADHN Cn1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1=O ZINC001028046422 1192394726 /nfs/dbraw/zinc/39/47/26/1192394726.db2.gz CZRFAWUYHPSLIN-LSTDLKDCSA-N 0 3 375.469 0.517 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000585717033 1192396439 /nfs/dbraw/zinc/39/64/39/1192396439.db2.gz WKYRASXDHVRGKX-HUUCEWRRSA-N 0 3 383.489 0.404 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000585717034 1192396539 /nfs/dbraw/zinc/39/65/39/1192396539.db2.gz WKYRASXDHVRGKX-LSDHHAIUSA-N 0 3 383.489 0.404 20 0 GCADHN Cc1c(NC[C@H]2CN(C)CCN2C)ncnc1NC[C@H]1CN(C)CCN1C ZINC000663589537 1192405456 /nfs/dbraw/zinc/40/54/56/1192405456.db2.gz DUKBDRACXJZYGM-IRXDYDNUSA-N 0 3 376.553 0.100 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000663590268 1192405586 /nfs/dbraw/zinc/40/55/86/1192405586.db2.gz HZTLVEOUQGDXAZ-UHFFFAOYSA-N 0 3 376.505 0.843 20 0 GCADHN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)n2)c1 ZINC000278989533 1192430018 /nfs/dbraw/zinc/43/00/18/1192430018.db2.gz QDKVPVAKJPIWLZ-UONOGXRCSA-N 0 3 385.472 0.762 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000663645234 1192443270 /nfs/dbraw/zinc/44/32/70/1192443270.db2.gz YQASGJIJBSARBT-UHFFFAOYSA-N 0 3 377.489 0.550 20 0 GCADHN Cc1ncc([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000637224493 1192452714 /nfs/dbraw/zinc/45/27/14/1192452714.db2.gz FXUFMZVRPZCQQS-JSGCOSHPSA-N 0 3 393.513 0.394 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000512121480 1192460572 /nfs/dbraw/zinc/46/05/72/1192460572.db2.gz ZBCZVTFQFHTGCI-CHWSQXEVSA-N 0 3 394.497 0.219 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccnc(N2CCSCC2)c1 ZINC000637236815 1192467262 /nfs/dbraw/zinc/46/72/62/1192467262.db2.gz DXEKDVLGRHTWSU-MRXNPFEDSA-N 0 3 391.541 0.852 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000981912586 1192504147 /nfs/dbraw/zinc/50/41/47/1192504147.db2.gz VHBSSXHOFITEPL-KSPMYQCISA-N 0 3 390.484 0.713 20 0 GCADHN Cc1cn(C)c(CC(=O)N2CCN(C)C[C@H]2C)c1C(=O)N1CCN(C)C[C@H]1C ZINC000408364405 1192512377 /nfs/dbraw/zinc/51/23/77/1192512377.db2.gz BUCNCJJUYHGKHL-IAGOWNOFSA-N 0 3 389.544 0.815 20 0 GCADHN Cc1cn(C)c(CC(=O)N2CCN(C)C[C@@H]2C)c1C(=O)N1CCN(C)C[C@H]1C ZINC000408364404 1192512676 /nfs/dbraw/zinc/51/26/76/1192512676.db2.gz BUCNCJJUYHGKHL-DLBZAZTESA-N 0 3 389.544 0.815 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(c2nc3cc(S(N)(=O)=O)ccc3[nH]2)CC1 ZINC000663738510 1192517863 /nfs/dbraw/zinc/51/78/63/1192517863.db2.gz BMEAYBBVZRPZJR-OAHLLOKOSA-N 0 3 392.485 0.129 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(c2nc3cc(S(N)(=O)=O)ccc3[nH]2)CC1 ZINC000663738505 1192518234 /nfs/dbraw/zinc/51/82/34/1192518234.db2.gz BMEAYBBVZRPZJR-HNNXBMFYSA-N 0 3 392.485 0.129 20 0 GCADHN CO[C@]1(C)CCCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000279382826 1192533353 /nfs/dbraw/zinc/53/33/53/1192533353.db2.gz SXAYADSCOIOMKZ-RDTXWAMCSA-N 0 3 383.514 0.882 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000432531855 1192535363 /nfs/dbraw/zinc/53/53/63/1192535363.db2.gz RZSNKIPHQVHHJC-KRWDZBQOSA-N 0 3 392.500 0.134 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000432531856 1192535505 /nfs/dbraw/zinc/53/55/05/1192535505.db2.gz RZSNKIPHQVHHJC-QGZVFWFLSA-N 0 3 392.500 0.134 20 0 GCADHN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000432533546 1192538228 /nfs/dbraw/zinc/53/82/28/1192538228.db2.gz DQZBJONLXQZPMU-SFHVURJKSA-N 0 3 396.576 0.920 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc(N2CCOCC2)cc1 ZINC000432530368 1192534095 /nfs/dbraw/zinc/53/40/95/1192534095.db2.gz HEBGSNIKDXRUIH-UHFFFAOYSA-N 0 3 390.528 0.643 20 0 GCADHN CCCC(=O)N1CCC[C@H](C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000432534621 1192539249 /nfs/dbraw/zinc/53/92/49/1192539249.db2.gz GEABDDJWQQCFLY-SFHVURJKSA-N 0 3 382.549 0.531 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cccc(N2CCCC2=O)c1 ZINC000432535062 1192542457 /nfs/dbraw/zinc/54/24/57/1192542457.db2.gz IZFNMPNIZGGWPT-UHFFFAOYSA-N 0 3 388.512 0.933 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)C(=O)NC[C@@H]3CCSC3)ccc2oc1=O ZINC000279454384 1192542501 /nfs/dbraw/zinc/54/25/01/1192542501.db2.gz CQTMQHYOALPAEO-LBPRGKRZSA-N 0 3 392.481 0.964 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cnn(C[C@H](O)CO)c1 ZINC000613991974 1192553018 /nfs/dbraw/zinc/55/30/18/1192553018.db2.gz GHZQFGDZRRIYFU-OALUTQOASA-N 0 3 388.468 0.257 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCNC(=O)c1ccccc1F ZINC000663771900 1192560479 /nfs/dbraw/zinc/56/04/79/1192560479.db2.gz ADLNNPVJFWRBEN-UHFFFAOYSA-N 0 3 381.452 0.217 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2c3cc(OC)ccc3C(=O)C2=O)CC1 ZINC000728905846 1192563007 /nfs/dbraw/zinc/56/30/07/1192563007.db2.gz YMQCSFFTPCWRHR-UHFFFAOYSA-N 0 3 388.468 0.668 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)CC2)c1 ZINC000279634475 1192566780 /nfs/dbraw/zinc/56/67/80/1192566780.db2.gz YICAPXOLZTXOAC-OAQYLSRUSA-N 0 3 399.495 0.708 20 0 GCADHN CC(C)(C)C(=O)Nc1ccc(CN)nc1NCCNC(=O)N1CCOCC1 ZINC001167888887 1192590172 /nfs/dbraw/zinc/59/01/72/1192590172.db2.gz WKEWCSLMIUUWHP-UHFFFAOYSA-N 0 3 378.477 0.979 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000509740548 1192610273 /nfs/dbraw/zinc/61/02/73/1192610273.db2.gz ORDJLZLQGQNYIU-CQSZACIVSA-N 0 3 396.513 0.569 20 0 GCADHN CCC(=O)N[C@@H]1CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000500456297 1192617237 /nfs/dbraw/zinc/61/72/37/1192617237.db2.gz KWSMSFSPEZPIMZ-CQSZACIVSA-N 0 3 382.486 0.653 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418632145 1192620887 /nfs/dbraw/zinc/62/08/87/1192620887.db2.gz HCUPIMXUSMVYIK-KVSKMBFKSA-N 0 3 377.485 0.929 20 0 GCADHN O=C(CN1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1)N1CCCC1 ZINC000418631626 1192621093 /nfs/dbraw/zinc/62/10/93/1192621093.db2.gz GWVYHMDSDCECCX-IBGZPJMESA-N 0 3 385.512 0.823 20 0 GCADHN C[C@]1(C2CCN(C(=O)NC[C@@H]3NCCc4ccccc43)CC2)NC(=O)NC1=O ZINC000418647372 1192623711 /nfs/dbraw/zinc/62/37/11/1192623711.db2.gz XWNTTYVJWHBVFA-OXJNMPFZSA-N 0 3 385.468 0.893 20 0 GCADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418635483 1192624221 /nfs/dbraw/zinc/62/42/21/1192624221.db2.gz KSFKJWIWWNYHLA-QGZVFWFLSA-N 0 3 387.484 0.252 20 0 GCADHN Cn1nc(C(F)(F)F)cc1CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268319828 1192633304 /nfs/dbraw/zinc/63/33/04/1192633304.db2.gz ARFUBFIEMSUEKI-LPWJVIDDSA-N 0 3 376.379 0.573 20 0 GCADHN Cc1c(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cnn1CC(C)C ZINC000500518709 1192636512 /nfs/dbraw/zinc/63/65/12/1192636512.db2.gz JTOWGBFFKFPIMX-HNNXBMFYSA-N 0 3 378.521 0.786 20 0 GCADHN CCOC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CNCCO3)CC2)nc1 ZINC000418766523 1192641184 /nfs/dbraw/zinc/64/11/84/1192641184.db2.gz MXLJDTACDVMGGV-OAHLLOKOSA-N 0 3 377.445 0.078 20 0 GCADHN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000418774333 1192641859 /nfs/dbraw/zinc/64/18/59/1192641859.db2.gz VDZDSBJNHTZGJT-HKUYNNGSSA-N 0 3 376.501 0.907 20 0 GCADHN COc1cccc(C2(CNC(=O)C(=O)NC[C@@H]3CNCCO3)CCCC2)c1 ZINC000418794898 1192645646 /nfs/dbraw/zinc/64/56/46/1192645646.db2.gz QJRKSBUWKWKAOG-KRWDZBQOSA-N 0 3 375.469 0.728 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000261657586 1192653682 /nfs/dbraw/zinc/65/36/82/1192653682.db2.gz APYFHBDRTDGSFI-OAHLLOKOSA-N 0 3 377.470 0.409 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)C(=O)N1Cc2ccccc2C1 ZINC000418820952 1192654198 /nfs/dbraw/zinc/65/41/98/1192654198.db2.gz FXWUBKAHAPTRGX-ZENOOKHLSA-N 0 3 388.468 0.263 20 0 GCADHN CCOCCOc1cc(C)ccc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000418830295 1192655781 /nfs/dbraw/zinc/65/57/81/1192655781.db2.gz UADXSTPYGJSTAB-MRXNPFEDSA-N 0 3 379.457 0.131 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000418833760 1192659969 /nfs/dbraw/zinc/65/99/69/1192659969.db2.gz NOPWIRSBNYHXKZ-GOSISDBHSA-N 0 3 388.512 0.954 20 0 GCADHN COc1ccc([C@@H](CNC(=O)C(=O)N2CCNC(C)(C)C2)N(C)C)cc1OC ZINC000418835141 1192660481 /nfs/dbraw/zinc/66/04/81/1192660481.db2.gz PMSGCDUNRHSDKU-OAHLLOKOSA-N 0 3 392.500 0.633 20 0 GCADHN CCNC(=O)COc1cccc(CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)c1 ZINC000418841190 1192662816 /nfs/dbraw/zinc/66/28/16/1192662816.db2.gz GNQAXGHZBOIOCI-GOSISDBHSA-N 0 3 398.463 0.634 20 0 GCADHN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000418852897 1192666375 /nfs/dbraw/zinc/66/63/75/1192666375.db2.gz WAAZLHFXKAMRLG-KRWDZBQOSA-N 0 3 388.468 0.536 20 0 GCADHN CCCN(CCN1CCCC1)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000512422240 1192674116 /nfs/dbraw/zinc/67/41/16/1192674116.db2.gz YRKBWVPELRNTNV-UHFFFAOYSA-N 0 3 393.532 0.776 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cncn1 ZINC000418879136 1192674853 /nfs/dbraw/zinc/67/48/53/1192674853.db2.gz BMKCYRLSEKBZBE-CZUORRHYSA-N 0 3 386.456 0.172 20 0 GCADHN COc1cc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc(S(C)(=O)=O)c1 ZINC000500629295 1192676419 /nfs/dbraw/zinc/67/64/19/1192676419.db2.gz DSINDBUBIWYOLK-LBPRGKRZSA-N 0 3 395.481 0.804 20 0 GCADHN COc1cc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc(OC)c1OC ZINC000418903453 1192684993 /nfs/dbraw/zinc/68/49/93/1192684993.db2.gz BFCCHFOWHIDGNZ-YPMHNXCESA-N 0 3 395.456 0.558 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000418904652 1192685230 /nfs/dbraw/zinc/68/52/30/1192685230.db2.gz CNGWFLNJZILKCY-UHFFFAOYSA-N 0 3 396.513 0.155 20 0 GCADHN Cc1cccc(OCCNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000418906474 1192686256 /nfs/dbraw/zinc/68/62/56/1192686256.db2.gz WOYRPWJLCPWHPY-INIZCTEOSA-N 0 3 386.456 0.404 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1c(F)cccc1-n1cccn1 ZINC000418908039 1192686487 /nfs/dbraw/zinc/68/64/87/1192686487.db2.gz SCXHYMWMLXPPGK-IUODEOHRSA-N 0 3 389.431 0.857 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000418910326 1192686843 /nfs/dbraw/zinc/68/68/43/1192686843.db2.gz ULDXTZZJLYLXLY-WMLDXEAASA-N 0 3 385.468 0.777 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1 ZINC000418912799 1192689523 /nfs/dbraw/zinc/68/95/23/1192689523.db2.gz NBPWYIGDHWTHRG-HXUWFJFHSA-N 0 3 396.491 0.951 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)C[C@@H]1O ZINC000663828902 1192692014 /nfs/dbraw/zinc/69/20/14/1192692014.db2.gz AXMOEXVQGDBKJA-BZSNNMDCSA-N 0 3 380.464 0.515 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000418933061 1192694585 /nfs/dbraw/zinc/69/45/85/1192694585.db2.gz IPRPSXVZDBEBDB-WMLDXEAASA-N 0 3 385.468 0.777 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCN1CCc2sccc2C1 ZINC000418936388 1192695199 /nfs/dbraw/zinc/69/51/99/1192695199.db2.gz DSRAROJYGNBREO-OCCSQVGLSA-N 0 3 380.514 0.452 20 0 GCADHN Cc1ccccc1OCCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000418943074 1192696598 /nfs/dbraw/zinc/69/65/98/1192696598.db2.gz YJHDHWIQKFALBU-INIZCTEOSA-N 0 3 386.456 0.404 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000418973251 1192706338 /nfs/dbraw/zinc/70/63/38/1192706338.db2.gz QGPVXHRXAYSFNA-YPMHNXCESA-N 0 3 375.429 0.087 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCOCC3CCCC3)C2)nn1 ZINC000418973761 1192706780 /nfs/dbraw/zinc/70/67/80/1192706780.db2.gz OWXNFOCTJPBQED-MRXNPFEDSA-N 0 3 378.477 0.223 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCOCC3CCCC3)C2)nn1 ZINC000418973760 1192706989 /nfs/dbraw/zinc/70/69/89/1192706989.db2.gz OWXNFOCTJPBQED-INIZCTEOSA-N 0 3 378.477 0.223 20 0 GCADHN N[C@H](CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1 ZINC000418970572 1192707483 /nfs/dbraw/zinc/70/74/83/1192707483.db2.gz WSKHETVDSAUJNV-OLZOCXBDSA-N 0 3 386.374 0.472 20 0 GCADHN CCCN1CC[C@@H](Cn2c(COCC)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001745691554 1192713263 /nfs/dbraw/zinc/71/32/63/1192713263.db2.gz CWLNQDIWCXISTF-OAHLLOKOSA-N 0 3 385.534 0.781 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(CC(F)(F)C(F)F)CC3)C[C@@H]21 ZINC000410579216 1192725386 /nfs/dbraw/zinc/72/53/86/1192725386.db2.gz WLCNYGBKFKDGCF-NEPJUHHUSA-N 0 3 380.386 0.194 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC(N3CCNC3=O)CC2)cc1 ZINC000051450027 1192723630 /nfs/dbraw/zinc/72/36/30/1192723630.db2.gz GYANNINISOSCAZ-INIZCTEOSA-N 0 3 377.441 0.703 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1 ZINC000112917138 1192731587 /nfs/dbraw/zinc/73/15/87/1192731587.db2.gz BEHDKXQMMFXLDR-JKSUJKDBSA-N 0 3 386.500 0.467 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)CSCC(=O)N1CCOCC1 ZINC000500750600 1192742080 /nfs/dbraw/zinc/74/20/80/1192742080.db2.gz PXSTWNWUSTWNCC-UHFFFAOYSA-N 0 3 380.514 0.564 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000614068155 1192746226 /nfs/dbraw/zinc/74/62/26/1192746226.db2.gz BKALQMPCCOPCQZ-UHFFFAOYSA-N 0 3 398.514 0.047 20 0 GCADHN CCS(=O)(=O)CCCNC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419057848 1192750890 /nfs/dbraw/zinc/75/08/90/1192750890.db2.gz OWNJVKVRAZRGJQ-QGZVFWFLSA-N 0 3 391.493 0.897 20 0 GCADHN N[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1 ZINC000419059984 1192755620 /nfs/dbraw/zinc/75/56/20/1192755620.db2.gz SIHUFRYOECISOK-IAGOWNOFSA-N 0 3 384.411 0.863 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1 ZINC000419059983 1192755711 /nfs/dbraw/zinc/75/57/11/1192755711.db2.gz SIHUFRYOECISOK-DLBZAZTESA-N 0 3 384.411 0.863 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@H]2c3ccccc3NC2=O)CC1=O ZINC000644894084 1192762068 /nfs/dbraw/zinc/76/20/68/1192762068.db2.gz FTRLLUNGQFQMBF-ZBFHGGJFSA-N 0 3 388.468 0.408 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@H]2c3ccccc3NC2=O)CC1=O ZINC000644894081 1192762222 /nfs/dbraw/zinc/76/22/22/1192762222.db2.gz FTRLLUNGQFQMBF-HOCLYGCPSA-N 0 3 388.468 0.408 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)[C@@H](C)CN1 ZINC000419067152 1192762972 /nfs/dbraw/zinc/76/29/72/1192762972.db2.gz FWVCCCAMQDLWAZ-IXDOHACOSA-N 0 3 388.512 0.732 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCCN1C(=O)CCC1=O)c1ccc2ccccc2c1 ZINC000419072248 1192768806 /nfs/dbraw/zinc/76/88/06/1192768806.db2.gz BDNQLEAYXOXJST-MRXNPFEDSA-N 0 3 382.420 0.221 20 0 GCADHN O=C(CNC[C@H]1CCCO1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000237926235 1192771583 /nfs/dbraw/zinc/77/15/83/1192771583.db2.gz XYQRPRHMWFSJTN-MOPGFXCFSA-N 0 3 386.496 0.705 20 0 GCADHN O=C(CNC[C@H]1CCCO1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000237926169 1192771698 /nfs/dbraw/zinc/77/16/98/1192771698.db2.gz XYQRPRHMWFSJTN-RTBURBONSA-N 0 3 386.496 0.705 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000509723066 1192779706 /nfs/dbraw/zinc/77/97/06/1192779706.db2.gz VYXUALGBMUWBHL-OAQYLSRUSA-N 0 3 389.496 0.771 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000509723323 1192779885 /nfs/dbraw/zinc/77/98/85/1192779885.db2.gz FEQLOOPRBICZRN-KRWDZBQOSA-N 0 3 390.484 0.685 20 0 GCADHN CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419089136 1192781040 /nfs/dbraw/zinc/78/10/40/1192781040.db2.gz NPGLHGICIHVOLC-SUMWQHHRSA-N 0 3 391.493 0.895 20 0 GCADHN CCN(CC)[C@H](CNC(=O)N1CCO[C@@H](C(N)=O)C1)c1cccc(OC)c1 ZINC000051680673 1192781232 /nfs/dbraw/zinc/78/12/32/1192781232.db2.gz NLFSUDHRRBVERX-IAGOWNOFSA-N 0 3 378.473 0.974 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000419090133 1192781254 /nfs/dbraw/zinc/78/12/54/1192781254.db2.gz BAEUUJPGOZJATK-GXFFZTMASA-N 0 3 391.403 0.721 20 0 GCADHN C[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)[C@H]1CN ZINC000419097894 1192784975 /nfs/dbraw/zinc/78/49/75/1192784975.db2.gz QFIVEAQWVHEWSL-WFASDCNBSA-N 0 3 385.461 0.301 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000419102341 1192786555 /nfs/dbraw/zinc/78/65/55/1192786555.db2.gz FBFUBGSOTUHEIW-LRDDRELGSA-N 0 3 380.464 0.733 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)c1ccc(F)cc1 ZINC000419104097 1192791771 /nfs/dbraw/zinc/79/17/71/1192791771.db2.gz MHKBANIUIYGBOO-SUMWQHHRSA-N 0 3 388.447 0.959 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)N1CCOCC1 ZINC000419111559 1192791292 /nfs/dbraw/zinc/79/12/92/1192791292.db2.gz DNIBTYMBKPNZDI-XHSDSOJGSA-N 0 3 384.521 0.079 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000419118764 1192793129 /nfs/dbraw/zinc/79/31/29/1192793129.db2.gz RLYPZFDPFAWADB-PBHICJAKSA-N 0 3 385.468 0.760 20 0 GCADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)C1 ZINC000410661607 1192794104 /nfs/dbraw/zinc/79/41/04/1192794104.db2.gz JMOFBIXLSJGUIL-HNNXBMFYSA-N 0 3 395.548 0.875 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000419120657 1192794664 /nfs/dbraw/zinc/79/46/64/1192794664.db2.gz QZWDBPLVEIHINK-HIFRSBDPSA-N 0 3 375.473 0.527 20 0 GCADHN CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](N)c1ccccc1)N1CCOCC1 ZINC000419124496 1192796324 /nfs/dbraw/zinc/79/63/24/1192796324.db2.gz XKAVLUKVFVLDQG-QZTJIDSGSA-N 0 3 376.501 0.666 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)[C@@H]1CO ZINC000410670227 1192804327 /nfs/dbraw/zinc/80/43/27/1192804327.db2.gz DSIFLQUKZIPQSS-IMBTUZDBSA-N 0 3 395.544 0.954 20 0 GCADHN C[C@H]1CCN(C(=O)C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)[C@@H]1CO ZINC000410670223 1192804475 /nfs/dbraw/zinc/80/44/75/1192804475.db2.gz DSIFLQUKZIPQSS-DODZYUBVSA-N 0 3 395.544 0.954 20 0 GCADHN Cc1cccc(N2CCC(NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)n1 ZINC000419136737 1192810029 /nfs/dbraw/zinc/81/00/29/1192810029.db2.gz PNWKVRGXCMLSNM-GOEBONIOSA-N 0 3 389.500 0.704 20 0 GCADHN Cc1cccc(N2CCC(NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)n1 ZINC000419136740 1192810047 /nfs/dbraw/zinc/81/00/47/1192810047.db2.gz PNWKVRGXCMLSNM-ZBFHGGJFSA-N 0 3 389.500 0.704 20 0 GCADHN COC(=O)CCCOc1ccc(CNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419144080 1192814155 /nfs/dbraw/zinc/81/41/55/1192814155.db2.gz ZLRXLFXMPOMJLZ-UHFFFAOYSA-N 0 3 377.441 0.457 20 0 GCADHN C[C@H]1COCCN(C(=O)C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)C1 ZINC000410681594 1192823915 /nfs/dbraw/zinc/82/39/15/1192823915.db2.gz JIXDTIJVWFWRMX-MRXNPFEDSA-N 0 3 389.500 0.287 20 0 GCADHN O=C(NCc1cccc(OCC(F)(F)F)c1)C(=O)NC[C@H]1CNCCO1 ZINC000419196021 1192832771 /nfs/dbraw/zinc/83/27/71/1192832771.db2.gz AGYSWTUVOFPCMA-CYBMUJFWSA-N 0 3 375.347 0.349 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2c1 ZINC000419179232 1192832933 /nfs/dbraw/zinc/83/29/33/1192832933.db2.gz VMKJDOQBKHURAK-WMZOPIPTSA-N 0 3 380.448 0.835 20 0 GCADHN CSCC[C@@H](C)N(C)C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000410693511 1192834864 /nfs/dbraw/zinc/83/48/64/1192834864.db2.gz MKZNERUYLDMOKO-OAHLLOKOSA-N 0 3 384.546 0.353 20 0 GCADHN CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000410697833 1192840263 /nfs/dbraw/zinc/84/02/63/1192840263.db2.gz MACKPSIAXDCWSR-IBGZPJMESA-N 0 3 394.560 0.746 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)CCC(F)(F)F ZINC000419200282 1192839333 /nfs/dbraw/zinc/83/93/33/1192839333.db2.gz DZBPVYBXRRDNGE-NWDGAFQWSA-N 0 3 382.427 0.606 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000410708385 1192845017 /nfs/dbraw/zinc/84/50/17/1192845017.db2.gz IYBJZPBKYQPHAU-MRXNPFEDSA-N 0 3 378.473 0.103 20 0 GCADHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC(=O)NCC12COC2 ZINC000893782198 1192858588 /nfs/dbraw/zinc/85/85/88/1192858588.db2.gz DRGSMAGMRAOGQH-UHFFFAOYSA-N 0 3 386.496 0.706 20 0 GCADHN C[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000893877023 1192869998 /nfs/dbraw/zinc/86/99/98/1192869998.db2.gz DNMVRPMRAHEUGB-BSWAZPDLSA-N 0 3 380.514 0.998 20 0 GCADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)C(=O)NCc1cc[nH]n1 ZINC000549790577 1192883936 /nfs/dbraw/zinc/88/39/36/1192883936.db2.gz VWHQLTUVLZPFAJ-UHFFFAOYSA-N 0 3 398.511 0.740 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)CC1 ZINC000728934123 1192888458 /nfs/dbraw/zinc/88/84/58/1192888458.db2.gz GPCWSMNLHVEFPL-UHFFFAOYSA-N 0 3 395.481 0.532 20 0 GCADHN CCS(=O)(=O)NCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000110268984 1192891745 /nfs/dbraw/zinc/89/17/45/1192891745.db2.gz ACFWEFMEQDOSMU-UHFFFAOYSA-N 0 3 382.530 0.644 20 0 GCADHN O=C(CN1CCC(CN2CCOCC2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000051957819 1192892507 /nfs/dbraw/zinc/89/25/07/1192892507.db2.gz WHVWZUFZNBHLSJ-GOSISDBHSA-N 0 3 389.496 0.987 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCN(C(C)=O)C3)c2)CC1 ZINC000473413157 1192893276 /nfs/dbraw/zinc/89/32/76/1192893276.db2.gz XCUSSZCWOPTEHS-KRWDZBQOSA-N 0 3 387.484 0.504 20 0 GCADHN CC[C@H]1CCC[C@@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000575238508 1192901665 /nfs/dbraw/zinc/90/16/65/1192901665.db2.gz IJAPNADLGLFOHX-ZWKOTPCHSA-N 0 3 382.549 0.578 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1ccccc1N ZINC000614135966 1192914873 /nfs/dbraw/zinc/91/48/73/1192914873.db2.gz YHPBVXFBXOHBJQ-CQSZACIVSA-N 0 3 396.513 0.259 20 0 GCADHN C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)N3CCNC[C@H]3C)cc2)C[C@H](C)O1 ZINC000419218551 1192916621 /nfs/dbraw/zinc/91/66/21/1192916621.db2.gz SBVSVQBALAUBIW-ZACQAIPSSA-N 0 3 388.512 0.732 20 0 GCADHN CCN(CCNCc1ccc(C(N)=O)cc1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268468423 1192920811 /nfs/dbraw/zinc/92/08/11/1192920811.db2.gz NDAQCBFQJNJPGB-OKZBNKHCSA-N 0 3 375.469 0.775 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC(C)(C)OC[C@@H]2C)CC1 ZINC000411001415 1192923838 /nfs/dbraw/zinc/92/38/38/1192923838.db2.gz GEZYHWVFUAEYSV-HNNXBMFYSA-N 0 3 382.505 0.025 20 0 GCADHN CCC[C@]1(CO)CCCN1C(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000410994622 1192924698 /nfs/dbraw/zinc/92/46/98/1192924698.db2.gz ZIIPCIKBHIHCQW-HXUWFJFHSA-N 0 3 390.484 0.892 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000274496658 1184077605 /nfs/dbraw/zinc/07/76/05/1184077605.db2.gz CZSLLGNXDRGHMV-UHFFFAOYSA-N 0 3 385.486 0.180 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000274500486 1184078115 /nfs/dbraw/zinc/07/81/15/1184078115.db2.gz DTTIGAKHWUSQGW-SFHVURJKSA-N 0 3 397.541 0.659 20 0 GCADHN CCN(CCO)CCNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000274505844 1184079784 /nfs/dbraw/zinc/07/97/84/1184079784.db2.gz FZZXJXHKGYYAOO-UHFFFAOYSA-N 0 3 397.419 0.414 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000274507709 1184080350 /nfs/dbraw/zinc/08/03/50/1184080350.db2.gz WPCCVTZLLXBBSB-OAHLLOKOSA-N 0 3 398.529 0.624 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)[C@H]2CCCS2(=O)=O)c1 ZINC000654701941 1184080494 /nfs/dbraw/zinc/08/04/94/1184080494.db2.gz XZOIURQVJSEILZ-QGZVFWFLSA-N 0 3 384.498 0.837 20 0 GCADHN CCN1CCN(CCC(=O)N[C@H](C(=O)OC)c2ccc3c(c2)CCO3)CC1 ZINC000274511567 1184082533 /nfs/dbraw/zinc/08/25/33/1184082533.db2.gz HCDBWXBIGKUKRH-IBGZPJMESA-N 0 3 375.469 0.979 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000274530006 1184088390 /nfs/dbraw/zinc/08/83/90/1184088390.db2.gz DETDNVMUQWHXJB-MRXNPFEDSA-N 0 3 391.516 0.750 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](CCO)COC)c2)CC1 ZINC000274528035 1184088438 /nfs/dbraw/zinc/08/84/38/1184088438.db2.gz OWTHCEVIYAHFNN-MRXNPFEDSA-N 0 3 378.473 0.281 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCNC(=O)C(C)C)c2)CC1 ZINC000274542366 1184092665 /nfs/dbraw/zinc/09/26/65/1184092665.db2.gz SBNBTTKVZASHNA-UHFFFAOYSA-N 0 3 389.500 0.655 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000579694020 1184093108 /nfs/dbraw/zinc/09/31/08/1184093108.db2.gz VAPCJFKABVEBHB-KURKYZTESA-N 0 3 382.549 0.696 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000274548369 1184094164 /nfs/dbraw/zinc/09/41/64/1184094164.db2.gz HYJDAGCOJWACRF-NEWSRXKRSA-N 0 3 378.517 0.796 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000274551040 1184095879 /nfs/dbraw/zinc/09/58/79/1184095879.db2.gz MUFASQQXAPSQIN-KRWDZBQOSA-N 0 3 383.514 0.660 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCO[C@@H](c3cccs3)C2)n1 ZINC000413355848 1184096771 /nfs/dbraw/zinc/09/67/71/1184096771.db2.gz SSLUKEGUJGSTEX-CHWSQXEVSA-N 0 3 378.502 0.756 20 0 GCADHN CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000274553951 1184098155 /nfs/dbraw/zinc/09/81/55/1184098155.db2.gz VMPOFXQNYNBINO-KRWDZBQOSA-N 0 3 387.484 0.504 20 0 GCADHN CCN(CCO)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000274562362 1184099978 /nfs/dbraw/zinc/09/99/78/1184099978.db2.gz PDGBSUYAQDYRCF-SFHVURJKSA-N 0 3 380.420 0.023 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)c2)CC1 ZINC000274561866 1184100322 /nfs/dbraw/zinc/10/03/22/1184100322.db2.gz XLRZJGGJWYMHFY-INIZCTEOSA-N 0 3 399.495 0.647 20 0 GCADHN CCOC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000274565932 1184101311 /nfs/dbraw/zinc/10/13/11/1184101311.db2.gz YGABCRKDGHKVON-OAHLLOKOSA-N 0 3 390.484 0.944 20 0 GCADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000579711966 1184104253 /nfs/dbraw/zinc/10/42/53/1184104253.db2.gz LASMDIRYZUANLI-AWEZNQCLSA-N 0 3 398.471 0.747 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc2c(cc1OC)CCC(=O)N2 ZINC000274581092 1184109029 /nfs/dbraw/zinc/10/90/29/1184109029.db2.gz IWJQJXJYLWZFHG-UHFFFAOYSA-N 0 3 392.456 0.603 20 0 GCADHN CN(C)CCn1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)ccc1=O ZINC000274593976 1184113096 /nfs/dbraw/zinc/11/30/96/1184113096.db2.gz FVWBPCSXWCMXGZ-UHFFFAOYSA-N 0 3 393.469 0.308 20 0 GCADHN COCCOc1ncccc1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000274606709 1184117914 /nfs/dbraw/zinc/11/79/14/1184117914.db2.gz SLBDSWJGBAMCMF-INIZCTEOSA-N 0 3 379.505 0.932 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)[C@H]2C1 ZINC000579744222 1184126145 /nfs/dbraw/zinc/12/61/45/1184126145.db2.gz YCOAURZORDYXKJ-OCCSQVGLSA-N 0 3 377.470 0.394 20 0 GCADHN CC(C)[C@@H]1CN(C(=O)COCC(=O)N2CCN(C)[C@@H](C(C)C)C2)CCN1C ZINC000683120089 1184134086 /nfs/dbraw/zinc/13/40/86/1184134086.db2.gz BQEAHXVQVJRHAE-HDICACEKSA-N 0 3 382.549 0.600 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000274644804 1184141132 /nfs/dbraw/zinc/14/11/32/1184141132.db2.gz KKSYBPJFPYSKAP-WBVHZDCISA-N 0 3 384.427 0.850 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000274649054 1184144213 /nfs/dbraw/zinc/14/42/13/1184144213.db2.gz WKVHIACNCRWRIU-JLTOFOAXSA-N 0 3 387.484 0.497 20 0 GCADHN CCC1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCCC1 ZINC000579763877 1184144225 /nfs/dbraw/zinc/14/42/25/1184144225.db2.gz RXFLDVNESDREHR-INIZCTEOSA-N 0 3 378.517 0.838 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCSC[C@@H]3CO)cc2)CC1 ZINC000784912689 1184146098 /nfs/dbraw/zinc/14/60/98/1184146098.db2.gz UULDIAJKSPJEKG-KRWDZBQOSA-N 0 3 392.525 0.703 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1 ZINC000616374563 1184154305 /nfs/dbraw/zinc/15/43/05/1184154305.db2.gz DLXJCDBOIKECBZ-UHFFFAOYSA-N 0 3 385.472 0.019 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 ZINC000605244298 1184154327 /nfs/dbraw/zinc/15/43/27/1184154327.db2.gz XAEWOEWRFIXFDC-ZDUSSCGKSA-N 0 3 387.444 0.484 20 0 GCADHN CN(C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCCN(C)C1 ZINC000654830191 1184156336 /nfs/dbraw/zinc/15/63/36/1184156336.db2.gz SUBUMYWQUQFWPA-VYDXJSESSA-N 0 3 399.488 0.502 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000274689425 1184187354 /nfs/dbraw/zinc/18/73/54/1184187354.db2.gz UMYKNSAFXRSTDB-LJQANCHMSA-N 0 3 378.517 0.543 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000274702664 1184203511 /nfs/dbraw/zinc/20/35/11/1184203511.db2.gz YQAZGZWBIROVRU-ZIAGYGMSSA-N 0 3 384.502 0.609 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000654945563 1184217272 /nfs/dbraw/zinc/21/72/72/1184217272.db2.gz CDSCNDNFBNMCQH-CABCVRRESA-N 0 3 376.461 0.043 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000654945791 1184217540 /nfs/dbraw/zinc/21/75/40/1184217540.db2.gz FIYDSHWJDRNMPY-HUUCEWRRSA-N 0 3 380.470 0.406 20 0 GCADHN NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000654947781 1184219084 /nfs/dbraw/zinc/21/90/84/1184219084.db2.gz VGJFBOUZYNGELJ-GJZGRUSLSA-N 0 3 398.460 0.545 20 0 GCADHN O=C(Nc1cccnc1N1CCOCC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654947162 1184219784 /nfs/dbraw/zinc/21/97/84/1184219784.db2.gz QTNUAVSTYWKGIM-RDJZCZTQSA-N 0 3 387.484 0.990 20 0 GCADHN COc1ncc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1C(N)=O ZINC000654948065 1184220996 /nfs/dbraw/zinc/22/09/96/1184220996.db2.gz XUFVQPZAYLDYDG-ZIAGYGMSSA-N 0 3 375.429 0.261 20 0 GCADHN NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000654949604 1184221234 /nfs/dbraw/zinc/22/12/34/1184221234.db2.gz XJGMRORXXNXTOP-GJZGRUSLSA-N 0 3 380.470 0.406 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654946259 1184221513 /nfs/dbraw/zinc/22/15/13/1184221513.db2.gz IIDRMCHKKZJJDG-OLZOCXBDSA-N 0 3 376.461 0.623 20 0 GCADHN CN(C)S(=O)(=O)N[C@@H](CNC(=O)NCCN1CCCCC1)C1CCCC1 ZINC000654954076 1184223898 /nfs/dbraw/zinc/22/38/98/1184223898.db2.gz BGWFVUVQRIHDHB-INIZCTEOSA-N 0 3 389.566 0.726 20 0 GCADHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)COC3CNC3)cc2)C1 ZINC000430187984 1184226875 /nfs/dbraw/zinc/22/68/75/1184226875.db2.gz QZGOIQJXQBLCHJ-CQSZACIVSA-N 0 3 381.498 0.712 20 0 GCADHN COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(OC)c(O)c1 ZINC000274733707 1184233475 /nfs/dbraw/zinc/23/34/75/1184233475.db2.gz URDDZMAEASHDOL-GUYCJALGSA-N 0 3 393.440 0.141 20 0 GCADHN CS(=O)(=O)NC1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCCCC1 ZINC000654989627 1184236461 /nfs/dbraw/zinc/23/64/61/1184236461.db2.gz NVFJPTOIZKHDAQ-OAHLLOKOSA-N 0 3 390.550 0.385 20 0 GCADHN CN(C)C1(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)[C@@H](O)C2)CCC1 ZINC000969305895 1184249954 /nfs/dbraw/zinc/24/99/54/1184249954.db2.gz CBKJTRZMZSIESG-HZMVEIRTSA-N 0 3 379.501 0.221 20 0 GCADHN COc1ccc([C@@H]2[C@H](C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CCC(=O)N2C)cc1 ZINC000655094463 1184282344 /nfs/dbraw/zinc/28/23/44/1184282344.db2.gz HRFUFGJUPVBPFB-VUHPKUFZSA-N 0 3 375.469 0.738 20 0 GCADHN COC(=O)c1cccc2c1CCN(c1nc(NCCO)nc(NC(C)C)n1)C2 ZINC000413363295 1184305271 /nfs/dbraw/zinc/30/52/71/1184305271.db2.gz PWYBYDSSHQXJDP-UHFFFAOYSA-N 0 3 386.456 0.289 20 0 GCADHN O=C([C@H]1CCCN1Cc1ccccc1)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000579831926 1184306394 /nfs/dbraw/zinc/30/63/94/1184306394.db2.gz SIHLZYODLYRXTO-GOSISDBHSA-N 0 3 392.525 0.097 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1O)N1CCCC1 ZINC000969509369 1184332764 /nfs/dbraw/zinc/33/27/64/1184332764.db2.gz ZGLFEWXIYPPRID-ZOFXXKQRSA-N 0 3 379.501 0.364 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)NC[C@H]3CC[C@H](C(N)=O)O3)c2)CC1 ZINC000274803783 1184335841 /nfs/dbraw/zinc/33/58/41/1184335841.db2.gz LAUTXTCRRULZJO-IAGOWNOFSA-N 0 3 375.473 0.983 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)N3CCN(C(=O)[C@@H](C)O)CC3)c2)CC1 ZINC000274803920 1184336922 /nfs/dbraw/zinc/33/69/22/1184336922.db2.gz LFLUREKLZHKPBV-MRXNPFEDSA-N 0 3 389.500 0.885 20 0 GCADHN COC(=O)COc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000274807359 1184360236 /nfs/dbraw/zinc/36/02/36/1184360236.db2.gz QBHWLOQUPLYGGX-INIZCTEOSA-N 0 3 391.468 0.607 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C ZINC000069530547 1184368825 /nfs/dbraw/zinc/36/88/25/1184368825.db2.gz GBXFISHFFLVADS-GXTWGEPZSA-N 0 3 388.490 0.185 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000579861583 1184383957 /nfs/dbraw/zinc/38/39/57/1184383957.db2.gz ZEZVSPBMXSTWKE-DLBZAZTESA-N 0 3 395.548 0.036 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000182852156 1184386565 /nfs/dbraw/zinc/38/65/65/1184386565.db2.gz AREAWUDNPABHJU-CYBMUJFWSA-N 0 3 379.427 0.429 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2)CC1 ZINC000274823547 1184395378 /nfs/dbraw/zinc/39/53/78/1184395378.db2.gz PHZKSOPITMGJFO-INIZCTEOSA-N 0 3 395.529 0.984 20 0 GCADHN Cc1cc(C)n2nc(NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)nc2n1 ZINC000510134804 1184417241 /nfs/dbraw/zinc/41/72/41/1184417241.db2.gz QGDHYXLVXALLIJ-AWEZNQCLSA-N 0 3 388.476 0.805 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCS(=O)(=O)c3ccccc3C2)CC1=O ZINC000274886433 1184419771 /nfs/dbraw/zinc/41/97/71/1184419771.db2.gz CMNFJIUPQGOZSF-OAHLLOKOSA-N 0 3 379.482 0.213 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCOCCOC)c(C)c2)CC1 ZINC000042018687 1184428924 /nfs/dbraw/zinc/42/89/24/1184428924.db2.gz GEJLTTUJWKACSC-UHFFFAOYSA-N 0 3 392.500 0.855 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)[C@](C)(O)Cn3ccccc3=O)C2)CC1 ZINC000547733625 1184440858 /nfs/dbraw/zinc/44/08/58/1184440858.db2.gz WQGLBLWXMMWLRB-YLJYHZDGSA-N 0 3 376.501 0.226 20 0 GCADHN COc1cc(CN2CC[C@H](NC(=O)CN3CCN(C)CC3)C2)cc(OC)c1 ZINC000088251317 1184460748 /nfs/dbraw/zinc/46/07/48/1184460748.db2.gz LJGBVJVOAOPAQM-KRWDZBQOSA-N 0 3 376.501 0.642 20 0 GCADHN CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000471222770 1184469875 /nfs/dbraw/zinc/46/98/75/1184469875.db2.gz LZUAVPRHICOZSU-HRCADAONSA-N 0 3 390.550 0.071 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C(N)=O)c(C)c2)CC1 ZINC000510158390 1184487227 /nfs/dbraw/zinc/48/72/27/1184487227.db2.gz GSPXHYYRYIJMFN-CQSZACIVSA-N 0 3 375.473 0.175 20 0 GCADHN C[C@@H]1CC[C@H](CNc2nc(NC[C@H]3CC[C@H](C)O3)nc(N3CCOCC3)n2)O1 ZINC000413373826 1184494138 /nfs/dbraw/zinc/49/41/38/1184494138.db2.gz ICQYNDGGTPTZGY-QKPAOTATSA-N 0 3 392.504 0.511 20 0 GCADHN O=C(CCCN1C(=O)CNC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000535632986 1184515369 /nfs/dbraw/zinc/51/53/69/1184515369.db2.gz TZEDGIDACWWSGJ-DLBZAZTESA-N 0 3 388.468 0.318 20 0 GCADHN CNC(=O)NC(=O)CN1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000471240711 1184515885 /nfs/dbraw/zinc/51/58/85/1184515885.db2.gz BHTGQDQGYNTFDO-UHFFFAOYSA-N 0 3 389.500 0.402 20 0 GCADHN Cc1cc(C(=O)NCc2ccccc2CN(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000155039714 1184523349 /nfs/dbraw/zinc/52/33/49/1184523349.db2.gz DSEFJOSVWDYBKJ-UHFFFAOYSA-N 0 3 395.463 0.932 20 0 GCADHN Cc1nnc2n1C[C@@H](CNC(=O)NC(C)(C)CCN1CCN(C)CC1)CC2 ZINC000547775041 1184544444 /nfs/dbraw/zinc/54/44/44/1184544444.db2.gz YEWZCUHUVZZFAC-MRXNPFEDSA-N 0 3 377.537 0.864 20 0 GCADHN CC[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000275192130 1184545496 /nfs/dbraw/zinc/54/54/96/1184545496.db2.gz FUHDPUSVISNTCZ-GOEBONIOSA-N 0 3 396.513 0.311 20 0 GCADHN Cn1cc(-n2cc(C(=O)NC(C)(C)CCN3CCN(C)CC3)ccc2=O)cn1 ZINC000547784808 1184560599 /nfs/dbraw/zinc/56/05/99/1184560599.db2.gz ARIOVMQYPVOYMH-UHFFFAOYSA-N 0 3 386.500 0.717 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000471261008 1184564546 /nfs/dbraw/zinc/56/45/46/1184564546.db2.gz FVZOTABGQUHBEZ-SWLSCSKDSA-N 0 3 384.502 0.624 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000430307684 1184564565 /nfs/dbraw/zinc/56/45/65/1184564565.db2.gz VSHPDRKULJECBF-ZBFHGGJFSA-N 0 3 377.441 0.196 20 0 GCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)NCCN1CCOCC1 ZINC000047618084 1184566099 /nfs/dbraw/zinc/56/60/99/1184566099.db2.gz VHUZPXULUHXUCC-UHFFFAOYSA-N 0 3 389.544 0.826 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275258922 1184568333 /nfs/dbraw/zinc/56/83/33/1184568333.db2.gz IFSHVGVCSBYVIE-IRXDYDNUSA-N 0 3 375.473 0.053 20 0 GCADHN CCCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651958506 1184574293 /nfs/dbraw/zinc/57/42/93/1184574293.db2.gz CORDSRZBFGZPAC-UHFFFAOYSA-N 0 3 394.447 0.785 20 0 GCADHN COC(=O)COc1ccc(S(=O)(=O)NCC2(N(C)C)CCOCC2)cc1 ZINC000510236772 1184635572 /nfs/dbraw/zinc/63/55/72/1184635572.db2.gz LCZZRXPQGOSPRS-UHFFFAOYSA-N 0 3 386.470 0.628 20 0 GCADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000275376068 1184642349 /nfs/dbraw/zinc/64/23/49/1184642349.db2.gz BUUUHIXODCWIIK-CYBMUJFWSA-N 0 3 384.502 0.722 20 0 GCADHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000275406970 1184655812 /nfs/dbraw/zinc/65/58/12/1184655812.db2.gz CTYPWLWDRWIFCE-HUUCEWRRSA-N 0 3 375.469 0.421 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c(OC)c1 ZINC000275422408 1184662244 /nfs/dbraw/zinc/66/22/44/1184662244.db2.gz HQSMEUPRCVOABN-UHFFFAOYSA-N 0 3 392.456 0.174 20 0 GCADHN CN(CC(=O)Nc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000683415656 1184669140 /nfs/dbraw/zinc/66/91/40/1184669140.db2.gz PEOMQDCFDDTAOW-QGZVFWFLSA-N 0 3 395.525 0.701 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000275479135 1184683475 /nfs/dbraw/zinc/68/34/75/1184683475.db2.gz ISQPZCPAMJUXSF-GVDBMIGSSA-N 0 3 377.489 0.557 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000654681644 1184686483 /nfs/dbraw/zinc/68/64/83/1184686483.db2.gz MKBGLJOTSPQXQO-UHFFFAOYSA-N 0 3 380.497 0.124 20 0 GCADHN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCN(C4CC4)C3)C2=O)cc1 ZINC000144511534 1184698837 /nfs/dbraw/zinc/69/88/37/1184698837.db2.gz LMHIBRSHXLVOCI-XOBRGWDASA-N 0 3 386.452 0.815 20 0 GCADHN COc1ccc([C@H](CNC(=O)[C@H]2C[C@H](F)CN2)N2CCOCC2)cc1OC ZINC000275551943 1184708493 /nfs/dbraw/zinc/70/84/93/1184708493.db2.gz SRIOULMTEQQMQD-XHSDSOJGSA-N 0 3 381.448 0.893 20 0 GCADHN O=C(NCCN1CCCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000547850487 1184716910 /nfs/dbraw/zinc/71/69/10/1184716910.db2.gz YGNNMXVUABVGSK-UHFFFAOYSA-N 0 3 397.501 0.710 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)[C@H](C)C2CC2)CC1 ZINC000121052627 1184719267 /nfs/dbraw/zinc/71/92/67/1184719267.db2.gz VEKHKSJTLPLIGU-CYBMUJFWSA-N 0 3 384.502 0.855 20 0 GCADHN CCN(C[C@H](O)C(F)(F)F)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000430429379 1184724792 /nfs/dbraw/zinc/72/47/92/1184724792.db2.gz WWGFSVRPFOVKQF-STQMWFEESA-N 0 3 382.427 0.884 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)CC1=O ZINC000430437028 1184767809 /nfs/dbraw/zinc/76/78/09/1184767809.db2.gz IWTJTOOAHDEILK-CQSZACIVSA-N 0 3 385.472 0.682 20 0 GCADHN O=C(CCN1CCN(c2ccccc2)CC1)NCCCn1ccc(=O)[nH]c1=O ZINC000890931208 1184776554 /nfs/dbraw/zinc/77/65/54/1184776554.db2.gz ZAWNCHJNJGKSAZ-UHFFFAOYSA-N 0 3 385.468 0.668 20 0 GCADHN C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccnc2)CCN(C2CC2)C1 ZINC000655713632 1184783196 /nfs/dbraw/zinc/78/31/96/1184783196.db2.gz VMGPOPUFDBSPNL-AWEZNQCLSA-N 0 3 381.502 0.486 20 0 GCADHN CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000890988667 1184805713 /nfs/dbraw/zinc/80/57/13/1184805713.db2.gz QCTXKAWXITVCSV-RCCFBDPRSA-N 0 3 390.484 0.859 20 0 GCADHN CCOC(=O)N1C[C@H](NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)[C@@H](CO)C1 ZINC000890988665 1184806045 /nfs/dbraw/zinc/80/60/45/1184806045.db2.gz QCTXKAWXITVCSV-KURKYZTESA-N 0 3 390.484 0.859 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)c3cn(Cc4cccc(F)c4)nn3)C2)nn1 ZINC000647087584 1184814588 /nfs/dbraw/zinc/81/45/88/1184814588.db2.gz LRGLRCSIGQRLQL-MRXNPFEDSA-N 0 3 384.419 0.993 20 0 GCADHN CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C[C@H]1COc2ccccc2O1 ZINC000155445242 1184817410 /nfs/dbraw/zinc/81/74/10/1184817410.db2.gz QOUXKNQEDCUVLA-AWEZNQCLSA-N 0 3 399.451 0.596 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CC[C@@H](CF)C3)cc21 ZINC000891023924 1184847515 /nfs/dbraw/zinc/84/75/15/1184847515.db2.gz OSZMIIFRXOFTIV-LBPRGKRZSA-N 0 3 378.404 0.913 20 0 GCADHN CC(C)Cn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1C(C)C ZINC000579973515 1184861781 /nfs/dbraw/zinc/86/17/81/1184861781.db2.gz AAMFMMWEZBDDLW-ZIAGYGMSSA-N 0 3 390.488 0.371 20 0 GCADHN COCC[C@]1(NCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)CCOC1 ZINC000683679390 1184884108 /nfs/dbraw/zinc/88/41/08/1184884108.db2.gz OHMOPFGPYRDIEG-LIRRHRJNSA-N 0 3 381.448 0.904 20 0 GCADHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000430469739 1184917415 /nfs/dbraw/zinc/91/74/15/1184917415.db2.gz KCDUUAJZYRXDAP-NCOADZHNSA-N 0 3 378.517 0.739 20 0 GCADHN O=C(NC1C[C@H]2CC[C@@H](C1)N2CCN1C(=O)CCC1=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001021390299 1184918573 /nfs/dbraw/zinc/91/85/73/1184918573.db2.gz NIKRCRQZOXNLGJ-RPDHEGIESA-N 0 3 375.469 0.815 20 0 GCADHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000430469741 1184918624 /nfs/dbraw/zinc/91/86/24/1184918624.db2.gz KCDUUAJZYRXDAP-WCXIOVBPSA-N 0 3 378.517 0.739 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(C(=O)OC)cc1OC ZINC000275704473 1184943319 /nfs/dbraw/zinc/94/33/19/1184943319.db2.gz RTCHCGIIAOOVCQ-UHFFFAOYSA-N 0 3 381.429 0.457 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000275706581 1184945173 /nfs/dbraw/zinc/94/51/73/1184945173.db2.gz PEVZBGZYJPCGNV-UHFFFAOYSA-N 0 3 390.419 0.036 20 0 GCADHN CS(=O)(=O)N1CCN(CC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000027766256 1184949118 /nfs/dbraw/zinc/94/91/18/1184949118.db2.gz LWANEXNQEMESKY-UHFFFAOYSA-N 0 3 394.541 0.298 20 0 GCADHN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)N(CCN(C)C)CC(=O)N(C)C)O2 ZINC000891107317 1184953551 /nfs/dbraw/zinc/95/35/51/1184953551.db2.gz LHUKFFWOJANQPQ-PASDCYSWSA-N 0 3 384.521 0.620 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCc2cccnc2N2CCN(C)CC2)C1(C)C ZINC000275717669 1184961220 /nfs/dbraw/zinc/96/12/20/1184961220.db2.gz VOGNAKNRTOEHOG-UZLBHIALSA-N 0 3 375.517 0.982 20 0 GCADHN CCNC(=O)NCCNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000647114116 1184986292 /nfs/dbraw/zinc/98/62/92/1184986292.db2.gz UFYUNSFJSOCCKL-UHFFFAOYSA-N 0 3 385.472 0.613 20 0 GCADHN COC(=O)[C@@H]1COCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000471501973 1184987817 /nfs/dbraw/zinc/98/78/17/1184987817.db2.gz ZKZQPGXIRZYCBX-SFHVURJKSA-N 0 3 375.469 0.989 20 0 GCADHN COc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1F ZINC000275731969 1184989201 /nfs/dbraw/zinc/98/92/01/1184989201.db2.gz VNIBSQAVAVLEGM-HNNXBMFYSA-N 0 3 392.431 0.538 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(CCO)CCOC)c(C)c2)CC1 ZINC000275736935 1184991868 /nfs/dbraw/zinc/99/18/68/1184991868.db2.gz BENOLWTUGHHCEV-UHFFFAOYSA-N 0 3 392.500 0.543 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000656068397 1185004768 /nfs/dbraw/zinc/00/47/68/1185004768.db2.gz XOGGHRWGLXHADU-KRWDZBQOSA-N 0 3 382.549 0.888 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000656075250 1185013955 /nfs/dbraw/zinc/01/39/55/1185013955.db2.gz GNWRNMHBZGKHJZ-GOSISDBHSA-N 0 3 394.560 0.890 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N(C)CCN(C)C3CC3)CC2)nc1 ZINC000656081798 1185017966 /nfs/dbraw/zinc/01/79/66/1185017966.db2.gz KHUMGDZZSZQIIG-UHFFFAOYSA-N 0 3 375.473 0.707 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](COC)[C@@H]2CCCOC2)CC1 ZINC000891182153 1185018760 /nfs/dbraw/zinc/01/87/60/1185018760.db2.gz CJJKBCFMMYZSDX-SJORKVTESA-N 0 3 384.521 0.624 20 0 GCADHN CN(C)CCn1nccc1NC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC001670517027 1185031099 /nfs/dbraw/zinc/03/10/99/1185031099.db2.gz HRUKLTBTKSXHFI-UHFFFAOYSA-N 0 3 399.455 0.818 20 0 GCADHN CN(C)CCn1nccc1NC(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001670518462 1185032983 /nfs/dbraw/zinc/03/29/83/1185032983.db2.gz ZHEYIBVDDBSTHD-CYBMUJFWSA-N 0 3 384.481 0.794 20 0 GCADHN CN(C)CCn1nccc1NC(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001670518464 1185033346 /nfs/dbraw/zinc/03/33/46/1185033346.db2.gz ZHEYIBVDDBSTHD-ZDUSSCGKSA-N 0 3 384.481 0.794 20 0 GCADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000275793067 1185057700 /nfs/dbraw/zinc/05/77/00/1185057700.db2.gz GRFQJMYMQPEVOM-GOSISDBHSA-N 0 3 395.500 0.948 20 0 GCADHN CN(C)CCn1nccc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000926084337 1185062264 /nfs/dbraw/zinc/06/22/64/1185062264.db2.gz UEDQUDVOOYRPGS-HUUCEWRRSA-N 0 3 389.504 0.408 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000430480087 1185071740 /nfs/dbraw/zinc/07/17/40/1185071740.db2.gz AZVMKNQSNZUOLO-XDNAFOTISA-N 0 3 390.528 0.979 20 0 GCADHN CN(C)C(=O)CCNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000046635906 1185099631 /nfs/dbraw/zinc/09/96/31/1185099631.db2.gz RTXHKSJXIIJCHO-UHFFFAOYSA-N 0 3 375.517 0.972 20 0 GCADHN Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@@H]2O)cn1 ZINC000970853101 1185101099 /nfs/dbraw/zinc/10/10/99/1185101099.db2.gz DTSBHEMRUJIAPI-HZMVEIRTSA-N 0 3 389.500 0.086 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)CCCS(=O)(=O)N3CCCC3)C2)nn1 ZINC000580193767 1185111830 /nfs/dbraw/zinc/11/18/30/1185111830.db2.gz TWXRLXQZEJAZNJ-OAHLLOKOSA-N 0 3 384.506 0.106 20 0 GCADHN Cc1cccc([C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C(C)(C)C)c1 ZINC000580215618 1185120264 /nfs/dbraw/zinc/12/02/64/1185120264.db2.gz SANVMOLYKQTQEL-ZACQAIPSSA-N 0 3 386.496 0.969 20 0 GCADHN Cc1ccc(CNC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(=O)n1C ZINC000683848552 1185131536 /nfs/dbraw/zinc/13/15/36/1185131536.db2.gz HXGDQRNNGXTCHR-MAUKXSAKSA-N 0 3 375.517 0.861 20 0 GCADHN C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000580308854 1185149079 /nfs/dbraw/zinc/14/90/79/1185149079.db2.gz ZTVHHGCFNKNAKB-GFCCVEGCSA-N 0 3 377.470 0.536 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(OCCOC)c2)CC1 ZINC000071004170 1185153826 /nfs/dbraw/zinc/15/38/26/1185153826.db2.gz GEDNJGOSACJTGJ-INIZCTEOSA-N 0 3 392.500 0.793 20 0 GCADHN Cc1cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000548076307 1185158152 /nfs/dbraw/zinc/15/81/52/1185158152.db2.gz ZXXIEVOXPLHPEJ-AWEZNQCLSA-N 0 3 387.484 0.791 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc(N2CCOCC2)ccn1 ZINC000275831612 1185164909 /nfs/dbraw/zinc/16/49/09/1185164909.db2.gz LZUSUUULZRJBTK-SFHVURJKSA-N 0 3 389.500 0.591 20 0 GCADHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C(=O)NCc2ncccn2)C1 ZINC000580330391 1185167835 /nfs/dbraw/zinc/16/78/35/1185167835.db2.gz IPUVEGNMEVLFFP-CQSZACIVSA-N 0 3 388.497 0.838 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000580336549 1185176039 /nfs/dbraw/zinc/17/60/39/1185176039.db2.gz RJISZSYICHMERF-QGZVFWFLSA-N 0 3 390.528 0.586 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1-n1nnnc1C ZINC000275862442 1185190557 /nfs/dbraw/zinc/19/05/57/1185190557.db2.gz CVXSVMFEBRSXBH-UHFFFAOYSA-N 0 3 387.444 0.470 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCOCC1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC001670597119 1185199442 /nfs/dbraw/zinc/19/94/42/1185199442.db2.gz DAKHBMCUMNMSEL-GJZGRUSLSA-N 0 3 397.501 0.618 20 0 GCADHN O=C(NC[C@H]1CCN1C1CCOCC1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC001670597118 1185199754 /nfs/dbraw/zinc/19/97/54/1185199754.db2.gz DAKHBMCUMNMSEL-CABCVRRESA-N 0 3 397.501 0.618 20 0 GCADHN O=C(NC[C@H]1CCN1C1CCOCC1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC001670597120 1185199800 /nfs/dbraw/zinc/19/98/00/1185199800.db2.gz DAKHBMCUMNMSEL-HUUCEWRRSA-N 0 3 397.501 0.618 20 0 GCADHN CSC1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCC1 ZINC000580361699 1185201157 /nfs/dbraw/zinc/20/11/57/1185201157.db2.gz HPSSBBBGBHFJKH-AWEZNQCLSA-N 0 3 382.530 0.153 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000275875613 1185214443 /nfs/dbraw/zinc/21/44/43/1185214443.db2.gz CCOGLVDOKISQBH-UHFFFAOYSA-N 0 3 384.484 0.907 20 0 GCADHN CC(C)Oc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000580467398 1185240925 /nfs/dbraw/zinc/24/09/25/1185240925.db2.gz XSEYNZSXHIKFMF-YSVLISHTSA-N 0 3 388.468 0.421 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000275898966 1185253441 /nfs/dbraw/zinc/25/34/41/1185253441.db2.gz FJIMHUOIYBTKPG-UHFFFAOYSA-N 0 3 385.472 0.302 20 0 GCADHN COc1ncc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1C(N)=O ZINC000275905353 1185265476 /nfs/dbraw/zinc/26/54/76/1185265476.db2.gz PXPDSJOVOLTOPB-BLLLJJGKSA-N 0 3 399.451 0.935 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275914516 1185272143 /nfs/dbraw/zinc/27/21/43/1185272143.db2.gz UVGHKVDRSGTDCK-UHFFFAOYSA-N 0 3 387.415 0.849 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CSc2ccccc21)CN1CCN(C)CC1 ZINC000580579798 1185279501 /nfs/dbraw/zinc/27/95/01/1185279501.db2.gz VAAQYWULZAYHTG-ZBFHGGJFSA-N 0 3 376.526 0.949 20 0 GCADHN COc1ccc(CNCC[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2C)nn1 ZINC001104309162 1185283016 /nfs/dbraw/zinc/28/30/16/1185283016.db2.gz KWROIHXCTNBFLA-FSZRXZPDSA-N 0 3 378.473 0.863 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCOCC1 ZINC000580595823 1185285113 /nfs/dbraw/zinc/28/51/13/1185285113.db2.gz YKFAJEVVZGKCJJ-QGZVFWFLSA-N 0 3 394.516 0.074 20 0 GCADHN C[C@H](CNC(=O)NCc1ccc(N2CCN(C)CC2)nc1)CN1CCOCC1 ZINC000155802336 1185290038 /nfs/dbraw/zinc/29/00/38/1185290038.db2.gz LOEYWRBIADFIII-QGZVFWFLSA-N 0 3 390.532 0.601 20 0 GCADHN CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 ZINC000580665478 1185301578 /nfs/dbraw/zinc/30/15/78/1185301578.db2.gz JQKDBBXPVSOEMK-GOSISDBHSA-N 0 3 381.498 0.100 20 0 GCADHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000430498560 1185304464 /nfs/dbraw/zinc/30/44/64/1185304464.db2.gz XFKYEDXSUAZNIM-IKGGRYGDSA-N 0 3 378.517 0.836 20 0 GCADHN CC(CO)(CO)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000580693309 1185308294 /nfs/dbraw/zinc/30/82/94/1185308294.db2.gz STOOZQMHHKYIIH-UHFFFAOYSA-N 0 3 381.498 0.076 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000275962382 1185339157 /nfs/dbraw/zinc/33/91/57/1185339157.db2.gz SXDLKVOGICDYFU-UHFFFAOYSA-N 0 3 390.440 0.081 20 0 GCADHN CN1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CC1=O ZINC000580781968 1185357347 /nfs/dbraw/zinc/35/73/47/1185357347.db2.gz OIDUGHSDYGFGOU-UHFFFAOYSA-N 0 3 382.530 0.155 20 0 GCADHN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580785006 1185359474 /nfs/dbraw/zinc/35/94/74/1185359474.db2.gz LBTLBUJPWHASFU-JKSUJKDBSA-N 0 3 390.484 0.296 20 0 GCADHN COc1cc([C@H](C)NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(OC)c1OC ZINC000580785705 1185360904 /nfs/dbraw/zinc/36/09/04/1185360904.db2.gz LIGKSZPOYSRYDI-FPMFFAJLSA-N 0 3 392.456 0.727 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000580804314 1185367702 /nfs/dbraw/zinc/36/77/02/1185367702.db2.gz SBARFDMKSDYVCM-NVXWUHKLSA-N 0 3 378.521 0.235 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000580804314 1185367707 /nfs/dbraw/zinc/36/77/07/1185367707.db2.gz SBARFDMKSDYVCM-NVXWUHKLSA-N 0 3 378.521 0.235 20 0 GCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000177819932 1185382580 /nfs/dbraw/zinc/38/25/80/1185382580.db2.gz ZJDHSNOLMDEBTF-LJQANCHMSA-N 0 3 397.479 0.767 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000275992569 1185386426 /nfs/dbraw/zinc/38/64/26/1185386426.db2.gz NSUGLUCFFSPJOM-UHFFFAOYSA-N 0 3 389.500 0.550 20 0 GCADHN CC(=O)NCCN(C)C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000580832515 1185391520 /nfs/dbraw/zinc/39/15/20/1185391520.db2.gz HPRCGURLYRQINL-UHFFFAOYSA-N 0 3 389.500 0.750 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000275997423 1185399596 /nfs/dbraw/zinc/39/95/96/1185399596.db2.gz OCLGJPZPVJHMAH-UHFFFAOYSA-N 0 3 390.484 0.499 20 0 GCADHN CN(C)C(=O)C1(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCC1 ZINC000656315932 1185400090 /nfs/dbraw/zinc/40/00/90/1185400090.db2.gz NJQAGAQCKAVGGP-JKSUJKDBSA-N 0 3 378.517 0.884 20 0 GCADHN Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC(=O)NCC1CC1 ZINC001707886063 1185402276 /nfs/dbraw/zinc/40/22/76/1185402276.db2.gz HEXHWOFIQBFPQF-GOSISDBHSA-N 0 3 389.548 0.717 20 0 GCADHN Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC(=O)NCC1CC1 ZINC001707886064 1185402355 /nfs/dbraw/zinc/40/23/55/1185402355.db2.gz HEXHWOFIQBFPQF-SFHVURJKSA-N 0 3 389.548 0.717 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000656320816 1185411928 /nfs/dbraw/zinc/41/19/28/1185411928.db2.gz VQEQMWQNOJPCRH-ROUUACIJSA-N 0 3 386.496 0.838 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656325093 1185414971 /nfs/dbraw/zinc/41/49/71/1185414971.db2.gz IJUCCRTWRCJASP-MWDXBVQZSA-N 0 3 383.489 0.056 20 0 GCADHN C[C@@H](O)CN(C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000656331253 1185425533 /nfs/dbraw/zinc/42/55/33/1185425533.db2.gz MYTHHRYCDXXNEE-APWZRJJASA-N 0 3 389.496 0.766 20 0 GCADHN CCOC(=O)c1ccccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000276004218 1185432219 /nfs/dbraw/zinc/43/22/19/1185432219.db2.gz OVULXLKIDNWCET-UHFFFAOYSA-N 0 3 390.484 0.898 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337536 1185433759 /nfs/dbraw/zinc/43/37/59/1185433759.db2.gz UNMGXNQVTGSWPL-MWDXBVQZSA-N 0 3 382.549 0.837 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000656343690 1185437276 /nfs/dbraw/zinc/43/72/76/1185437276.db2.gz OVGJKTKDNHQDMB-SFFUCWETSA-N 0 3 382.549 0.837 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N(CCO)CCN2CCOCC2)CN1Cc1ccccc1 ZINC000123351218 1185444725 /nfs/dbraw/zinc/44/47/25/1185444725.db2.gz CHWKSOYWQBPZDR-UYAOXDASSA-N 0 3 390.528 0.986 20 0 GCADHN COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000891350764 1185444849 /nfs/dbraw/zinc/44/48/49/1185444849.db2.gz PJPMHLPUEHXDHK-JKSUJKDBSA-N 0 3 382.505 0.471 20 0 GCADHN CC(C)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580963505 1185447147 /nfs/dbraw/zinc/44/71/47/1185447147.db2.gz OSOHUYYNOASKMG-CHWSQXEVSA-N 0 3 376.482 0.896 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000656354266 1185447537 /nfs/dbraw/zinc/44/75/37/1185447537.db2.gz BKLRHCGPJQVWDM-IAGOWNOFSA-N 0 3 376.501 0.733 20 0 GCADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356146 1185454439 /nfs/dbraw/zinc/45/44/39/1185454439.db2.gz QXALUBZYFSLZHA-ZACQAIPSSA-N 0 3 380.533 0.423 20 0 GCADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656356145 1185454887 /nfs/dbraw/zinc/45/48/87/1185454887.db2.gz QXALUBZYFSLZHA-IXDOHACOSA-N 0 3 380.533 0.423 20 0 GCADHN CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656356908 1185455404 /nfs/dbraw/zinc/45/54/04/1185455404.db2.gz IEHMEXKPAIHTDD-SJORKVTESA-N 0 3 378.517 0.884 20 0 GCADHN CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356906 1185455702 /nfs/dbraw/zinc/45/57/02/1185455702.db2.gz IEHMEXKPAIHTDD-IAGOWNOFSA-N 0 3 378.517 0.884 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356459 1185456933 /nfs/dbraw/zinc/45/69/33/1185456933.db2.gz DMTIKFPNOMEVQD-QXAKKESOSA-N 0 3 392.544 0.831 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000656356882 1185457540 /nfs/dbraw/zinc/45/75/40/1185457540.db2.gz HUZHPNAHEBGSSR-QYZOEREBSA-N 0 3 392.544 0.690 20 0 GCADHN CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356504 1185457577 /nfs/dbraw/zinc/45/75/77/1185457577.db2.gz FDOLOTPJNYJNLY-IAGOWNOFSA-N 0 3 380.533 0.689 20 0 GCADHN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@H]13)C[C@@H](C)O2 ZINC000656358979 1185461063 /nfs/dbraw/zinc/46/10/63/1185461063.db2.gz WBWZPERXFMQQOA-JZBZHOAESA-N 0 3 379.501 0.914 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000656358988 1185461383 /nfs/dbraw/zinc/46/13/83/1185461383.db2.gz NWOPFNKCDHIAKG-BBWFWOEESA-N 0 3 376.501 0.733 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000580979966 1185461565 /nfs/dbraw/zinc/46/15/65/1185461565.db2.gz RMNZKOJUZNVDAJ-QWHCGFSZSA-N 0 3 397.438 0.357 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)on1 ZINC000656359165 1185461623 /nfs/dbraw/zinc/46/16/23/1185461623.db2.gz OFLSVRIKZIOUDH-ROUUACIJSA-N 0 3 389.500 0.760 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000656358469 1185462772 /nfs/dbraw/zinc/46/27/72/1185462772.db2.gz KWBFTFHAWGFIBY-AEFFLSMTSA-N 0 3 399.495 0.499 20 0 GCADHN Cn1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)cn1 ZINC000656360154 1185463567 /nfs/dbraw/zinc/46/35/67/1185463567.db2.gz RWDGMKJJKKAJJY-ZWKOTPCHSA-N 0 3 388.516 0.197 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)CC2)no1 ZINC000656361142 1185464467 /nfs/dbraw/zinc/46/44/67/1185464467.db2.gz YREVLJCGXCMGKQ-ZWKOTPCHSA-N 0 3 389.500 0.760 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000581036480 1185474731 /nfs/dbraw/zinc/47/47/31/1185474731.db2.gz LKCFQRQZILSRGG-QRWLVFNGSA-N 0 3 396.532 0.319 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C[C@@H]1O ZINC000581039329 1185475393 /nfs/dbraw/zinc/47/53/93/1185475393.db2.gz BWUQDRGOEZRXFW-SZMVWBNQSA-N 0 3 375.469 0.437 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1)N1CCCC1 ZINC000581046967 1185479117 /nfs/dbraw/zinc/47/91/17/1185479117.db2.gz PDOMUONWGBPBRE-CYBMUJFWSA-N 0 3 388.424 0.115 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000668447488 1185495899 /nfs/dbraw/zinc/49/58/99/1185495899.db2.gz ROXDIMBEXFXTLD-OAHLLOKOSA-N 0 3 395.525 0.943 20 0 GCADHN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000684144740 1185497017 /nfs/dbraw/zinc/49/70/17/1185497017.db2.gz LUQXYFSOULZPAB-HUUCEWRRSA-N 0 3 375.473 0.853 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3cnn4c3nccc4-c3ccccc3)CCN2C1=O ZINC000581143783 1185515711 /nfs/dbraw/zinc/51/57/11/1185515711.db2.gz ZLJDJFFZKXUURB-ZBFHGGJFSA-N 0 3 376.420 0.780 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3cnn4c3nccc4-c3ccccc3)CCN2C1=O ZINC000581143778 1185516110 /nfs/dbraw/zinc/51/61/10/1185516110.db2.gz ZLJDJFFZKXUURB-GOEBONIOSA-N 0 3 376.420 0.780 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000581176635 1185523462 /nfs/dbraw/zinc/52/34/62/1185523462.db2.gz VJDQLPOXZHGRNI-YESZJQIVSA-N 0 3 386.452 0.192 20 0 GCADHN COc1ccc(Cn2cc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cn2)cc1 ZINC000581201177 1185527871 /nfs/dbraw/zinc/52/78/71/1185527871.db2.gz ADWYQABMEDAFTF-RDJZCZTQSA-N 0 3 384.440 0.716 20 0 GCADHN O=S(=O)(CCNC[C@@H](O)COc1ccc(F)cc1)NC[C@@H]1CCCCO1 ZINC000581246483 1185552736 /nfs/dbraw/zinc/55/27/36/1185552736.db2.gz XMSHWOWAKNZOSH-WBVHZDCISA-N 0 3 390.477 0.644 20 0 GCADHN CCNS(=O)(=O)c1cccc(CNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000581247228 1185553427 /nfs/dbraw/zinc/55/34/27/1185553427.db2.gz QTWZSLJPMCNQAR-ZOBUZTSGSA-N 0 3 385.530 0.545 20 0 GCADHN COC(=O)c1ccccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000276079946 1185554573 /nfs/dbraw/zinc/55/45/73/1185554573.db2.gz WHUSEGRORCJLEZ-UHFFFAOYSA-N 0 3 376.457 0.508 20 0 GCADHN CCN1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C[C@H]1c1ncc[nH]1 ZINC000581251317 1185556978 /nfs/dbraw/zinc/55/69/78/1185556978.db2.gz MMYPMBUSKAKIJP-ROUUACIJSA-N 0 3 396.495 0.700 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000581299702 1185574165 /nfs/dbraw/zinc/57/41/65/1185574165.db2.gz XVZIWTUFZJSVDS-MSOLQXFVSA-N 0 3 395.548 0.197 20 0 GCADHN O=c1cc(CN2CCN(C[C@@H]3CNc4ccnn4C3)CC2)nc2sccn21 ZINC000684193863 1185588063 /nfs/dbraw/zinc/58/80/63/1185588063.db2.gz AIMZYAXBEOJDFL-AWEZNQCLSA-N 0 3 385.497 0.812 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000581321883 1185591963 /nfs/dbraw/zinc/59/19/63/1185591963.db2.gz BLGUIXIOCOPBIF-ZFWWWQNUSA-N 0 3 395.485 0.149 20 0 GCADHN CCOC1CC(CCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000558428899 1185610387 /nfs/dbraw/zinc/61/03/87/1185610387.db2.gz BJKJXZWPLWPLJB-OFLPRAFFSA-N 0 3 394.516 0.073 20 0 GCADHN COc1ccc(OC(C)C)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000581381333 1185627828 /nfs/dbraw/zinc/62/78/28/1185627828.db2.gz XTARFZPVOSQTPI-TZMCWYRMSA-N 0 3 390.440 0.191 20 0 GCADHN CC(C)C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)N1CCOCC1 ZINC000581383649 1185629014 /nfs/dbraw/zinc/62/90/14/1185629014.db2.gz QCEPEWLVHLFRCX-MSOLQXFVSA-N 0 3 380.533 0.546 20 0 GCADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000072012754 1185696130 /nfs/dbraw/zinc/69/61/30/1185696130.db2.gz KVUWZBXWBTVZCO-HNNXBMFYSA-N 0 3 380.514 0.890 20 0 GCADHN Cc1ccccc1CN1CCN(C(=O)CN(C)CC(=O)N2CCNCC2)CC1 ZINC000430607999 1185724964 /nfs/dbraw/zinc/72/49/64/1185724964.db2.gz CANMLLFNMBTDMS-UHFFFAOYSA-N 0 3 387.528 0.003 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)c2)CC1 ZINC000276313109 1185728972 /nfs/dbraw/zinc/72/89/72/1185728972.db2.gz NMWYPSQDIVLSSN-HOTGVXAUSA-N 0 3 392.500 0.357 20 0 GCADHN CO[C@]1(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CCS(=O)(=O)C1 ZINC001125510531 1185736394 /nfs/dbraw/zinc/73/63/94/1185736394.db2.gz VJPODGUAMZOIJL-QGZVFWFLSA-N 0 3 397.453 0.298 20 0 GCADHN COc1cc(NC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)cc(OC)c1 ZINC000430611262 1185762037 /nfs/dbraw/zinc/76/20/37/1185762037.db2.gz NZBYDBKQNJUIKG-HNNXBMFYSA-N 0 3 390.484 0.786 20 0 GCADHN CN(C)C(=O)c1cccc(S(=O)(=O)NCCCCN2CCN(C)CC2)c1 ZINC000096997007 1185765408 /nfs/dbraw/zinc/76/54/08/1185765408.db2.gz QSTCUPVJLYPTHE-UHFFFAOYSA-N 0 3 382.530 0.694 20 0 GCADHN CC(C)c1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n[nH]1 ZINC001022017919 1185772937 /nfs/dbraw/zinc/77/29/37/1185772937.db2.gz SQFVFFOJXYTYJQ-LTCOOKNTSA-N 0 3 389.500 0.925 20 0 GCADHN CSc1cc2c(cc1NC(=O)N1CCN3C(=O)[C@H](N)C[C@H]3C1)OCCO2 ZINC000581618863 1185789214 /nfs/dbraw/zinc/78/92/14/1185789214.db2.gz REUMAOYCEHOMGN-WDEREUQCSA-N 0 3 378.454 0.955 20 0 GCADHN COCCC1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000625569550 1185791381 /nfs/dbraw/zinc/79/13/81/1185791381.db2.gz CXTHPMXQCMWGSS-QGZVFWFLSA-N 0 3 394.516 0.027 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000430620687 1185796673 /nfs/dbraw/zinc/79/66/73/1185796673.db2.gz COLSEDINKHJCEU-ROUUACIJSA-N 0 3 386.496 0.250 20 0 GCADHN Cc1cc(C(=O)NC[C@H](C)N2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000157371782 1185815248 /nfs/dbraw/zinc/81/52/48/1185815248.db2.gz KXLITLUCKPAVAA-AWEZNQCLSA-N 0 3 387.484 0.791 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCC(n2cc(C(N)=O)nn2)CC1)c1ccccc1 ZINC000625809427 1185838906 /nfs/dbraw/zinc/83/89/06/1185838906.db2.gz KJPCKCYLZUZBMN-GOSISDBHSA-N 0 3 399.499 0.433 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NCCCOC1CCCCC1 ZINC000430641011 1185842540 /nfs/dbraw/zinc/84/25/40/1185842540.db2.gz RXHZCGCCTJROLD-SFHVURJKSA-N 0 3 394.560 0.986 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)c3ncnn3C)cc2)CC1 ZINC000276510701 1185851394 /nfs/dbraw/zinc/85/13/94/1185851394.db2.gz TVFAURHEIPEFKR-OAHLLOKOSA-N 0 3 399.499 0.769 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000610530513 1185853754 /nfs/dbraw/zinc/85/37/54/1185853754.db2.gz OQURJZNOMJNVSR-SFHVURJKSA-N 0 3 391.468 0.727 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)N1CC(=O)Nc2ccccc21 ZINC000430644014 1185855978 /nfs/dbraw/zinc/85/59/78/1185855978.db2.gz YPKOJEPPAKROSC-HNNXBMFYSA-N 0 3 385.468 0.116 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000276517275 1185858909 /nfs/dbraw/zinc/85/89/09/1185858909.db2.gz YIZIRFLZRDBSRV-CHWSQXEVSA-N 0 3 379.461 0.772 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000078780676 1185862617 /nfs/dbraw/zinc/86/26/17/1185862617.db2.gz UCDYVEYUNMHDEB-UHFFFAOYSA-N 0 3 394.541 0.718 20 0 GCADHN COc1ccc(C[C@](C)(CO)NCC(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000933425011 1185886227 /nfs/dbraw/zinc/88/62/27/1185886227.db2.gz WYTZCPQMZYLGNK-OAQYLSRUSA-N 0 3 393.528 0.805 20 0 GCADHN COc1ccc(C[C@](C)(CO)NCC(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000933429716 1185886820 /nfs/dbraw/zinc/88/68/20/1185886820.db2.gz URLPLUOPJYLEQM-LJQANCHMSA-N 0 3 378.469 0.944 20 0 GCADHN C[C@@](CO)(Cc1ccccc1F)NCC(=O)N1CCN(c2cnccn2)CC1 ZINC000933432167 1185888946 /nfs/dbraw/zinc/88/89/46/1185888946.db2.gz QDQSTXVQRNPKMV-FQEVSTJZSA-N 0 3 387.459 0.848 20 0 GCADHN CN(CCCNC(=O)CN[C@@](C)(CO)Cc1ccccc1F)S(C)(=O)=O ZINC000933436430 1185891890 /nfs/dbraw/zinc/89/18/90/1185891890.db2.gz YPBPUXIWZUOXKP-QGZVFWFLSA-N 0 3 389.493 0.107 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)cc2)CC1 ZINC000785068564 1185896949 /nfs/dbraw/zinc/89/69/49/1185896949.db2.gz ZYEBNENCGMNBMQ-IYJVBRSBSA-N 0 3 380.514 0.650 20 0 GCADHN CCN(C(=O)CN[C@](C)(CO)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000933443779 1185896994 /nfs/dbraw/zinc/89/69/94/1185896994.db2.gz ZJSOQUTUZDRKIY-AEFFLSMTSA-N 0 3 386.489 0.744 20 0 GCADHN COc1ccc(C[C@](C)(CO)NCC(=O)N2CCN(C(C)=O)CC2)cc1OC ZINC000933447589 1185898052 /nfs/dbraw/zinc/89/80/52/1185898052.db2.gz ZTTCMCOTVHJANG-HXUWFJFHSA-N 0 3 393.484 0.278 20 0 GCADHN CNc1nc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)n1 ZINC000471708757 1185898599 /nfs/dbraw/zinc/89/85/99/1185898599.db2.gz GXLDAHUWIGUPEN-KWRZAIAESA-N 0 3 388.516 0.918 20 0 GCADHN CN1CCN(CCNS(=O)(=O)c2cnn(C3CCOCC3)c2)CC1(C)C ZINC000581789258 1185898635 /nfs/dbraw/zinc/89/86/35/1185898635.db2.gz HSCRZWQBORVKJM-UHFFFAOYSA-N 0 3 385.534 0.539 20 0 GCADHN Cc1cccc(OCCNC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000430664905 1185918530 /nfs/dbraw/zinc/91/85/30/1185918530.db2.gz LYTCNRQUVWCDTB-GOSISDBHSA-N 0 3 388.512 0.634 20 0 GCADHN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)CCN1C(=O)CNC1=O ZINC000548275795 1185925704 /nfs/dbraw/zinc/92/57/04/1185925704.db2.gz JTZILVOGWIYFAR-ZDUSSCGKSA-N 0 3 380.470 0.771 20 0 GCADHN C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430665371 1185928139 /nfs/dbraw/zinc/92/81/39/1185928139.db2.gz MQBBUFZYKLKVLB-GOEBONIOSA-N 0 3 387.484 0.256 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCc2ccc(F)cc2)CC1 ZINC000656936797 1185947345 /nfs/dbraw/zinc/94/73/45/1185947345.db2.gz BTWTZSCMIAPWDQ-QGZVFWFLSA-N 0 3 383.489 0.936 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000581904013 1185963118 /nfs/dbraw/zinc/96/31/18/1185963118.db2.gz WRZAZZMIVLSHNZ-QGZVFWFLSA-N 0 3 378.517 0.838 20 0 GCADHN O=C(C[C@H]1CNCCO1)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000581942403 1185999329 /nfs/dbraw/zinc/99/93/29/1185999329.db2.gz QJGFQKXGFRDBQT-KRWDZBQOSA-N 0 3 381.498 0.607 20 0 GCADHN Cc1c(C(=O)N[C@H]2CCN(C)C(=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000684485890 1186000264 /nfs/dbraw/zinc/00/02/64/1186000264.db2.gz PGVHTKLSSANLAS-HNNXBMFYSA-N 0 3 382.468 0.914 20 0 GCADHN COc1cccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)C2)c1 ZINC000581955534 1186004898 /nfs/dbraw/zinc/00/48/98/1186004898.db2.gz QOVVCAOXAPLAJH-QILLFSRXSA-N 0 3 387.484 0.617 20 0 GCADHN CCN(CC)C(=O)CN1CCCN(C(=O)c2cn[nH]c2-c2cnn(C)c2)CC1 ZINC000548364568 1186007206 /nfs/dbraw/zinc/00/72/06/1186007206.db2.gz JFQDLCBQYKSMMN-UHFFFAOYSA-N 0 3 387.488 0.827 20 0 GCADHN CC(C)[C@H](CNC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1)N1CCN(C)CC1 ZINC000891753940 1186011143 /nfs/dbraw/zinc/01/11/43/1186011143.db2.gz IRCCGGJTMIKCJD-HOTGVXAUSA-N 0 3 391.520 0.332 20 0 GCADHN CC[C@H](O)[C@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000510629067 1186039007 /nfs/dbraw/zinc/03/90/07/1186039007.db2.gz KJGQRUWXHFMKTK-SJORKVTESA-N 0 3 383.514 0.618 20 0 GCADHN O=C(CNC(=O)NCc1ccccc1CN1CCC(O)CC1)NCC(F)F ZINC000430851064 1186040282 /nfs/dbraw/zinc/04/02/82/1186040282.db2.gz YAENFPTTWXSGSZ-UHFFFAOYSA-N 0 3 384.427 0.824 20 0 GCADHN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CNC[C@H]3CCCO3)CC2)C1 ZINC000430893108 1186048708 /nfs/dbraw/zinc/04/87/08/1186048708.db2.gz CYYHAAIRRCFKLD-KZNAEPCWSA-N 0 3 380.533 0.594 20 0 GCADHN CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000510689382 1186057380 /nfs/dbraw/zinc/05/73/80/1186057380.db2.gz BWMIQPXQHLYJOF-KRWDZBQOSA-N 0 3 375.469 0.988 20 0 GCADHN Cc1c(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)nnn1-c1ccccc1 ZINC000328960625 1186060175 /nfs/dbraw/zinc/06/01/75/1186060175.db2.gz PNNRSPWRGZCZFW-UHFFFAOYSA-N 0 3 396.495 0.885 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)C(=O)N(C)C ZINC000276806449 1186077720 /nfs/dbraw/zinc/07/77/20/1186077720.db2.gz RXZROCPVAZJBPL-AWEZNQCLSA-N 0 3 392.525 0.809 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)cc2)CC1 ZINC000276808261 1186082700 /nfs/dbraw/zinc/08/27/00/1186082700.db2.gz SGLCCXVCKLFYAN-HNNXBMFYSA-N 0 3 389.500 0.356 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000510751183 1186097600 /nfs/dbraw/zinc/09/76/00/1186097600.db2.gz OIZNJOBFLHNXAN-IAGOWNOFSA-N 0 3 398.529 0.374 20 0 GCADHN COCc1ccc(CNC(=O)CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000510751215 1186097947 /nfs/dbraw/zinc/09/79/47/1186097947.db2.gz OPPZIAWGTMHXIH-IAGOWNOFSA-N 0 3 383.514 0.899 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000510751185 1186097997 /nfs/dbraw/zinc/09/79/97/1186097997.db2.gz OIZNJOBFLHNXAN-IRXDYDNUSA-N 0 3 398.529 0.374 20 0 GCADHN COc1ccc(NC(=O)NC(=O)CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000510783605 1186111710 /nfs/dbraw/zinc/11/17/10/1186111710.db2.gz UEYWZOVYPBGUSR-GJZGRUSLSA-N 0 3 398.485 0.793 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)c(C)c2)CC1 ZINC000276844483 1186118302 /nfs/dbraw/zinc/11/83/02/1186118302.db2.gz ZCAWCIXOBSVHBZ-HNNXBMFYSA-N 0 3 389.500 0.668 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891880992 1186122590 /nfs/dbraw/zinc/12/25/90/1186122590.db2.gz RHQAVGKXORDFBO-ZBFHGGJFSA-N 0 3 388.440 0.827 20 0 GCADHN COCCn1cc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)ccc1=O ZINC000610727388 1186151196 /nfs/dbraw/zinc/15/11/96/1186151196.db2.gz YVQNUNUOFFWBSW-SFHVURJKSA-N 0 3 376.501 0.735 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc3cc[nH]c32)CC1 ZINC000548464586 1186154683 /nfs/dbraw/zinc/15/46/83/1186154683.db2.gz DEDOVBRQFUJJOP-MRXNPFEDSA-N 0 3 383.452 0.871 20 0 GCADHN C[C@H](CNC(=O)NCCN1CCC(O)CC1)N1CCN(c2ccccc2)CC1 ZINC000891923573 1186160857 /nfs/dbraw/zinc/16/08/57/1186160857.db2.gz PAJQTZCSASXVOA-GOSISDBHSA-N 0 3 389.544 0.953 20 0 GCADHN O=C(NCCN1CCC(O)CC1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000891923844 1186162231 /nfs/dbraw/zinc/16/22/31/1186162231.db2.gz QAARPXNRAGVSQP-UHFFFAOYSA-N 0 3 393.507 0.704 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000891929475 1186166462 /nfs/dbraw/zinc/16/64/62/1186166462.db2.gz OUQULEWSJCRUCK-ROUUACIJSA-N 0 3 395.548 0.218 20 0 GCADHN COC(=O)Cn1cc(S(=O)(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cn1 ZINC000610759590 1186173047 /nfs/dbraw/zinc/17/30/47/1186173047.db2.gz KJUMNNAQJBZUKD-ZDUSSCGKSA-N 0 3 394.453 0.574 20 0 GCADHN CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1CNCC(=O)Nc1ccccc1 ZINC001691330535 1186174074 /nfs/dbraw/zinc/17/40/74/1186174074.db2.gz WCPLUSIIRCDTFL-MXASKKJJSA-N 0 3 388.468 0.200 20 0 GCADHN COCCN(C)c1ccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cn1 ZINC000276971529 1186183074 /nfs/dbraw/zinc/18/30/74/1186183074.db2.gz PPTGBUTTWCJCMN-GOSISDBHSA-N 0 3 391.516 0.187 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)Cc3nncn3C)cc2)CC1 ZINC000510973810 1186192901 /nfs/dbraw/zinc/19/29/01/1186192901.db2.gz JYCITYHXRIJGSB-UHFFFAOYSA-N 0 3 399.499 0.550 20 0 GCADHN COCCN1CCC(NC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1 ZINC000276981320 1186196622 /nfs/dbraw/zinc/19/66/22/1186196622.db2.gz BIQUVOMGTSQPHT-HXUWFJFHSA-N 0 3 375.469 0.620 20 0 GCADHN C[C@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CC[C@H]1N1CCN(C)CC1 ZINC000535727380 1186204950 /nfs/dbraw/zinc/20/49/50/1186204950.db2.gz IQKURBWYMCXDCP-JKSUJKDBSA-N 0 3 386.562 0.479 20 0 GCADHN CCCN(C)CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001744871420 1186206653 /nfs/dbraw/zinc/20/66/53/1186206653.db2.gz YUFAEQUDPYYHCE-LSTDLKDCSA-N 0 3 381.517 0.829 20 0 GCADHN CN(CCNCC(=O)NCCc1ccc(F)cc1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001691400056 1186208875 /nfs/dbraw/zinc/20/88/75/1186208875.db2.gz LIYLURJOTJOUOT-GJNTUIEKSA-N 0 3 389.471 0.956 20 0 GCADHN COc1cccc(N2C[C@@H](NC(=O)NC[C@@H]3CCCCN3CCO)CC2=O)c1 ZINC000458188009 1186213021 /nfs/dbraw/zinc/21/30/21/1186213021.db2.gz HQLAJXCIUWKSKA-RDJZCZTQSA-N 0 3 390.484 0.947 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458232784 1186219088 /nfs/dbraw/zinc/21/90/88/1186219088.db2.gz XFOFQIPZJBNAGE-CYBMUJFWSA-N 0 3 399.542 0.739 20 0 GCADHN COC(=O)[C@@H]1CN(C[C@H](O)CC2(O)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045693 1186225321 /nfs/dbraw/zinc/22/53/21/1186225321.db2.gz JQOAGZHOYOHNBS-CABCVRRESA-N 0 3 398.500 0.994 20 0 GCADHN COC(=O)[C@@H]1CN(CCN2CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045905 1186225361 /nfs/dbraw/zinc/22/53/61/1186225361.db2.gz KYDDZFRDEACWRM-HNNXBMFYSA-N 0 3 383.489 0.661 20 0 GCADHN CCN1CCN(CCC(=O)NC2(C(=O)OC)CCC(C(=O)OC)CC2)CC1 ZINC000535817941 1186226616 /nfs/dbraw/zinc/22/66/16/1186226616.db2.gz QHXMHCYLEDZTPF-UHFFFAOYSA-N 0 3 383.489 0.405 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C1=NN(CCO)C(=O)CC1 ZINC000277050244 1186232775 /nfs/dbraw/zinc/23/27/75/1186232775.db2.gz AYSPTEKHBKOKJP-KRWDZBQOSA-N 0 3 388.468 0.364 20 0 GCADHN Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCOC(F)F ZINC001707906721 1186235603 /nfs/dbraw/zinc/23/56/03/1186235603.db2.gz HUHQTLOHGVNEIS-CQSZACIVSA-N 0 3 386.447 0.959 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)CC1=O ZINC000277110944 1186241368 /nfs/dbraw/zinc/24/13/68/1186241368.db2.gz DJXVRCRSKIAVKK-LBPRGKRZSA-N 0 3 399.417 0.558 20 0 GCADHN CCN(CC)CC(=O)NC[C@@H]1CC(=O)N(CCOC)[C@H]1c1cnn(C)c1C ZINC000277121612 1186244836 /nfs/dbraw/zinc/24/48/36/1186244836.db2.gz FPWMVUKECAMQLY-HNAYVOBHSA-N 0 3 379.505 0.723 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N2CCOC[C@@H](O)C2)c1 ZINC000458254898 1186245728 /nfs/dbraw/zinc/24/57/28/1186245728.db2.gz PRGHAUDFYQYZFJ-KRWDZBQOSA-N 0 3 381.473 0.546 20 0 GCADHN COC(=O)C1(O)CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000535830304 1186248289 /nfs/dbraw/zinc/24/82/89/1186248289.db2.gz YQXAXWLMASGECL-UHFFFAOYSA-N 0 3 375.469 0.725 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000891965377 1186250342 /nfs/dbraw/zinc/25/03/42/1186250342.db2.gz PRMSNZSDJYHTEV-DLBZAZTESA-N 0 3 381.498 0.831 20 0 GCADHN CS(=O)(=O)c1ccc(OCCNC(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC000458316828 1186268846 /nfs/dbraw/zinc/26/88/46/1186268846.db2.gz HYOJVFTUIPDZGZ-HNNXBMFYSA-N 0 3 399.513 0.615 20 0 GCADHN Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001707917448 1186276672 /nfs/dbraw/zinc/27/66/72/1186276672.db2.gz ZYRMMUBSODUEMY-KRWDZBQOSA-N 0 3 392.529 0.971 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)CC1 ZINC000151447865 1186286537 /nfs/dbraw/zinc/28/65/37/1186286537.db2.gz CKGOOWZKTUEAFG-NVXWUHKLSA-N 0 3 379.505 0.986 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000181641453 1186291642 /nfs/dbraw/zinc/29/16/42/1186291642.db2.gz SXCZGIXIFOJWSV-UHFFFAOYSA-N 0 3 393.513 0.874 20 0 GCADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCC1CCS(=O)(=O)CC1 ZINC000563143645 1186304687 /nfs/dbraw/zinc/30/46/87/1186304687.db2.gz WQNXMTHRVKIUTE-QGZVFWFLSA-N 0 3 393.509 0.402 20 0 GCADHN CCc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cnn1-c1ccccc1OC ZINC000582014092 1186315858 /nfs/dbraw/zinc/31/58/58/1186315858.db2.gz HDYQQZWVDOIWOB-DZGCQCFKSA-N 0 3 383.452 0.827 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCCCCNC(=O)CC1)S(C)(=O)=O ZINC000934157954 1186317829 /nfs/dbraw/zinc/31/78/29/1186317829.db2.gz MUCSHDVWUPLMEI-UHFFFAOYSA-N 0 3 390.550 0.155 20 0 GCADHN CO[C@@H](CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)C1CCCCC1 ZINC000668581298 1186329306 /nfs/dbraw/zinc/32/93/06/1186329306.db2.gz AXELKFNURJSPPA-WMZOPIPTSA-N 0 3 382.549 0.698 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)C[C@H]1N(C)C ZINC000277332081 1186335603 /nfs/dbraw/zinc/33/56/03/1186335603.db2.gz WOSHLBNRSNFQLK-IAOVAPTHSA-N 0 3 379.530 0.699 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000548609125 1186339686 /nfs/dbraw/zinc/33/96/86/1186339686.db2.gz LBKKEQSGQLMMJA-AWEZNQCLSA-N 0 3 393.454 0.724 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000892102830 1186341725 /nfs/dbraw/zinc/34/17/25/1186341725.db2.gz UISJLTSVRZYQIV-INIZCTEOSA-N 0 3 398.529 0.847 20 0 GCADHN NC(=O)c1ccc(NC(=S)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000728452078 1186348088 /nfs/dbraw/zinc/34/80/88/1186348088.db2.gz VRQIAYNLWWHNPK-UHFFFAOYSA-N 0 3 375.498 0.722 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@H](CN(C)C)C2)C1=O ZINC000277376424 1186353629 /nfs/dbraw/zinc/35/36/29/1186353629.db2.gz ZXPAGNAUUASWOA-CABCVRRESA-N 0 3 378.477 0.370 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000472106395 1186354709 /nfs/dbraw/zinc/35/47/09/1186354709.db2.gz QNSITWMBNPHREF-HNNXBMFYSA-N 0 3 387.484 0.494 20 0 GCADHN NC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000277391254 1186357898 /nfs/dbraw/zinc/35/78/98/1186357898.db2.gz DPWZNCSSMCMGON-SJORKVTESA-N 0 3 376.457 0.173 20 0 GCADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCN2C(=O)NC[C@H]2C1 ZINC000277393427 1186359893 /nfs/dbraw/zinc/35/98/93/1186359893.db2.gz DVDFEYYUEFBKLB-ZWKOTPCHSA-N 0 3 387.484 0.697 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000375656906 1186361430 /nfs/dbraw/zinc/36/14/30/1186361430.db2.gz SSJQRDPHGFHFBE-ABHNRTSZSA-N 0 3 390.528 0.836 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1)N(C)C ZINC000431330364 1186366577 /nfs/dbraw/zinc/36/65/77/1186366577.db2.gz VVLBZOITLTXGDO-SFHVURJKSA-N 0 3 382.549 0.650 20 0 GCADHN Cn1c2nnc(CN3CC[C@@H]4[C@H]3CCCN4CCO)n2c2ccccc2c1=O ZINC000934256064 1186382033 /nfs/dbraw/zinc/38/20/33/1186382033.db2.gz ZXOMOMBTTXQVOY-IAGOWNOFSA-N 0 3 382.468 0.612 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1)[NH+](C)C ZINC000106460001 1186383197 /nfs/dbraw/zinc/38/31/97/1186383197.db2.gz ABALSAWBHNZGQE-INIZCTEOSA-N 0 3 393.513 0.982 20 0 GCADHN Cc1ccc(NC(=O)CN(C)C(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934261373 1186388582 /nfs/dbraw/zinc/38/85/82/1186388582.db2.gz RGMKMPYILKZLBJ-OALUTQOASA-N 0 3 388.512 0.923 20 0 GCADHN CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000934262675 1186390193 /nfs/dbraw/zinc/39/01/93/1186390193.db2.gz LNOWALBAIIUFMZ-SJORKVTESA-N 0 3 399.488 0.699 20 0 GCADHN C[C@](O)(CN1CC[C@H]2[C@H]1CCCN2CCO)c1ccc(S(C)(=O)=O)cc1 ZINC000934263918 1186392822 /nfs/dbraw/zinc/39/28/22/1186392822.db2.gz FBLABUWURJVLOY-QYZOEREBSA-N 0 3 382.526 0.829 20 0 GCADHN O=C(CN[C@@H](C1CC1)[C@]1(CO)CCCO1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000559467457 1186398625 /nfs/dbraw/zinc/39/86/25/1186398625.db2.gz GXWIONWCVIZZSQ-PKOBYXMFSA-N 0 3 391.424 0.973 20 0 GCADHN C[C@H](CNC(=O)NCc1cccnc1N1CCN(C)CC1)CN1CCOCC1 ZINC000157892823 1186400033 /nfs/dbraw/zinc/40/00/33/1186400033.db2.gz VWFWWIVZHVOLQC-QGZVFWFLSA-N 0 3 390.532 0.601 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000582081071 1186401852 /nfs/dbraw/zinc/40/18/52/1186401852.db2.gz JHQWOUIPUMGBLN-MUJYYYPQSA-N 0 3 382.505 0.071 20 0 GCADHN CS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000892181876 1186408211 /nfs/dbraw/zinc/40/82/11/1186408211.db2.gz ZCVUSNZAWYZPFA-MSOLQXFVSA-N 0 3 395.525 0.972 20 0 GCADHN CC(=O)N[C@](C)(C(=O)NCCN1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000431355437 1186409973 /nfs/dbraw/zinc/40/99/73/1186409973.db2.gz ANLWCGCYSBHZIQ-SFHVURJKSA-N 0 3 381.498 0.653 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3nc(Cc4ccccc4)cs3)CCN2C1=O ZINC000582133574 1186429298 /nfs/dbraw/zinc/42/92/98/1186429298.db2.gz BTRIMZZWSLLGAX-HUUCEWRRSA-N 0 3 399.476 0.443 20 0 GCADHN CCN(C(=O)CN1C[C@@H](c2ccccc2F)[C@H](N)C1)[C@H]1CCS(=O)(=O)C1 ZINC000582171996 1186454171 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379.420 0.458 20 0 GCADHN CN1CCC[C@H](NC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000892236926 1186482480 /nfs/dbraw/zinc/48/24/80/1186482480.db2.gz HHYZOLWNYQZLCR-UONOGXRCSA-N 0 3 395.504 0.600 20 0 GCADHN C[C@@H]1CN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H](C(N)=O)O1 ZINC000277531675 1186483146 /nfs/dbraw/zinc/48/31/46/1186483146.db2.gz SNFHXEVZUNNWNG-BPQIPLTHSA-N 0 3 390.484 0.562 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCc2cccc(S(=O)(=O)N(C)C)c2)C[C@H](C)O1 ZINC000582297035 1186491199 /nfs/dbraw/zinc/49/11/99/1186491199.db2.gz JOIIEOQQRAZWEV-UXLLHSPISA-N 0 3 385.530 0.497 20 0 GCADHN NS(=O)(=O)c1cccc2c1ccnc2C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000582310327 1186492699 /nfs/dbraw/zinc/49/26/99/1186492699.db2.gz FOSSPPBBXKAJLN-GOSISDBHSA-N 0 3 390.465 0.069 20 0 GCADHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582312934 1186493459 /nfs/dbraw/zinc/49/34/59/1186493459.db2.gz QGRBWJSTCZGUIX-HZPDHXFCSA-N 0 3 385.468 0.304 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)Sc1ccccc1 ZINC000582313054 1186494138 /nfs/dbraw/zinc/49/41/38/1186494138.db2.gz XCLJBAFYYAMMAV-IPYPFGDCSA-N 0 3 376.482 0.054 20 0 GCADHN Cn1c2cccc(NC(=O)N3CCN(C(=O)CN4CCCC4)CC3)c2oc1=O ZINC000511099835 1186497303 /nfs/dbraw/zinc/49/73/03/1186497303.db2.gz FYMULYZMMRKFGC-UHFFFAOYSA-N 0 3 387.440 0.903 20 0 GCADHN COCCN1C[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1=O ZINC000277556574 1186501450 /nfs/dbraw/zinc/50/14/50/1186501450.db2.gz WELCCMHBJBHBIE-RBUKOAKNSA-N 0 3 389.496 0.889 20 0 GCADHN CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000684830834 1186503622 /nfs/dbraw/zinc/50/36/22/1186503622.db2.gz LVUMVFJXEPWBJF-GOSISDBHSA-N 0 3 388.512 0.957 20 0 GCADHN CS(=O)(=O)C1(CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)CCC1 ZINC000582360288 1186503691 /nfs/dbraw/zinc/50/36/91/1186503691.db2.gz HWBOSQWFLXPSHW-HNNXBMFYSA-N 0 3 379.482 0.155 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CN1C1CC1 ZINC000934395233 1186505484 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Cc1nc(C)c(CC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c(=O)[n-]1 ZINC000127900844 1186570105 /nfs/dbraw/zinc/57/01/05/1186570105.db2.gz UUFWENMRKVTLOA-GASCZTMLSA-N 0 3 375.517 0.946 20 0 GCADHN O=C(CN1CCN(C(=O)CN2CCC3(CCCC3)CC2)CC1)N1CCOCC1 ZINC000582574190 1186573031 /nfs/dbraw/zinc/57/30/31/1186573031.db2.gz GXIZGHAKGQFKFE-UHFFFAOYSA-N 0 3 392.544 0.646 20 0 GCADHN COC(=O)[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1ccc(F)cc1 ZINC000277714799 1186575562 /nfs/dbraw/zinc/57/55/62/1186575562.db2.gz XOXAVINQCNIPHT-HOCLYGCPSA-N 0 3 379.432 0.609 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2cc(=O)n(C)c(=O)n2C)O1 ZINC001087216500 1186584620 /nfs/dbraw/zinc/58/46/20/1186584620.db2.gz GYZFLQQKTUIVNZ-TXCZRRACSA-N 0 3 392.500 0.368 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1cc(=O)n(C)c(=O)n1C ZINC001087216729 1186585210 /nfs/dbraw/zinc/58/52/10/1186585210.db2.gz SUDKRUODIJJUKZ-TXCZRRACSA-N 0 3 376.501 0.847 20 0 GCADHN COc1cc(OC)c(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c(OC)c1 ZINC000582617490 1186586846 /nfs/dbraw/zinc/58/68/46/1186586846.db2.gz PUSBFCWTUQIBOE-SWLSCSKDSA-N 0 3 392.456 0.208 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CCOCC1 ZINC000582626651 1186589292 /nfs/dbraw/zinc/58/92/92/1186589292.db2.gz CXQXGZBHALUGOX-DLBZAZTESA-N 0 3 394.516 0.073 20 0 GCADHN CN(C)[C@@H](CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)Cc1ccccc1 ZINC000611667282 1186589816 /nfs/dbraw/zinc/58/98/16/1186589816.db2.gz YHHNXDSNDRNQOA-IAGOWNOFSA-N 0 3 382.530 0.883 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000582636066 1186593535 /nfs/dbraw/zinc/59/35/35/1186593535.db2.gz DJTIVZDYEAHJKV-UHFFFAOYSA-N 0 3 395.485 0.555 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccnc(OCCO)c1)Cc1ccccc1 ZINC000657509940 1186594857 /nfs/dbraw/zinc/59/48/57/1186594857.db2.gz FCSJPTZHEOYQEN-KRWDZBQOSA-N 0 3 386.452 0.680 20 0 GCADHN CCOC(=O)c1ccc(N2CC(NC[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)nc1 ZINC000582661977 1186603090 /nfs/dbraw/zinc/60/30/90/1186603090.db2.gz QFUXLEISNLBFJF-RVKKMQEKSA-N 0 3 392.500 0.507 20 0 GCADHN CCOC(=O)c1ccc(N2CC(NC[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)nc1 ZINC000582661974 1186603218 /nfs/dbraw/zinc/60/32/18/1186603218.db2.gz QFUXLEISNLBFJF-DAYGRLMNSA-N 0 3 392.500 0.507 20 0 GCADHN O=C(NCCc1ccc(F)cc1F)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000668637747 1186616827 /nfs/dbraw/zinc/61/68/27/1186616827.db2.gz XPXKFOSSIBXOMR-INIZCTEOSA-N 0 3 381.423 0.993 20 0 GCADHN C[C@H]1CSC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000560485661 1186618099 /nfs/dbraw/zinc/61/80/99/1186618099.db2.gz ITDYTKDFVICADO-XJKSGUPXSA-N 0 3 399.538 0.987 20 0 GCADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCc3ccccc3OC3CCCC3)CCN2C1=O ZINC000563442767 1186618137 /nfs/dbraw/zinc/61/81/37/1186618137.db2.gz UABDIVGLTRWBSE-SJLPKXTDSA-N 0 3 386.496 0.868 20 0 GCADHN C[C@H](CNC(=O)N1CCN(Cc2cscn2)CC1)CN1CCN(C)CC1 ZINC000074657062 1186626217 /nfs/dbraw/zinc/62/62/17/1186626217.db2.gz VTEYBYHHVKNMPK-MRXNPFEDSA-N 0 3 380.562 0.854 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCNC(=O)C2CCCCC2)CC1 ZINC000152579877 1186629215 /nfs/dbraw/zinc/62/92/15/1186629215.db2.gz VYCRYBAVSOQZAB-QGZVFWFLSA-N 0 3 378.517 0.838 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000153163350 1186632853 /nfs/dbraw/zinc/63/28/53/1186632853.db2.gz IBJJLLLUJXPNAU-NVXWUHKLSA-N 0 3 388.468 0.393 20 0 GCADHN CC(C)CC(=O)N[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC000153214195 1186659199 /nfs/dbraw/zinc/65/91/99/1186659199.db2.gz QVMQNEZFEVOPQC-WMZOPIPTSA-N 0 3 380.533 0.938 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCc3cn4ccccc4n3)C2)CC1 ZINC000582798947 1186681832 /nfs/dbraw/zinc/68/18/32/1186681832.db2.gz DXGHXGDAKCAZSN-GOSISDBHSA-N 0 3 398.511 0.577 20 0 GCADHN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000582804181 1186685032 /nfs/dbraw/zinc/68/50/32/1186685032.db2.gz KGHHGUZJOGVGSM-GOEBONIOSA-N 0 3 388.443 0.744 20 0 GCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000119758752 1186686678 /nfs/dbraw/zinc/68/66/78/1186686678.db2.gz FZAXXHMPGZTMQW-HZPDHXFCSA-N 0 3 399.413 0.933 20 0 GCADHN CN(CCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000972402329 1186704780 /nfs/dbraw/zinc/70/47/80/1186704780.db2.gz VFESABMQRGJJKQ-TUVASFSCSA-N 0 3 378.473 0.417 20 0 GCADHN C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CCNCc1cnnn1C ZINC001104430988 1186708816 /nfs/dbraw/zinc/70/88/16/1186708816.db2.gz KEKHHENLXNLDAI-SRABZTEZSA-N 0 3 392.504 0.202 20 0 GCADHN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611726357 1186709007 /nfs/dbraw/zinc/70/90/07/1186709007.db2.gz WCJQPKAWTAURRZ-BRSBDYLESA-N 0 3 391.512 0.820 20 0 GCADHN C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CCNCc1nccn1C ZINC001104431237 1186710481 /nfs/dbraw/zinc/71/04/81/1186710481.db2.gz WTUSQXCKFJYKTM-VQHPVUNQSA-N 0 3 391.516 0.807 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000582844834 1186711142 /nfs/dbraw/zinc/71/11/42/1186711142.db2.gz PGQAEUUAGQPHNT-CQSZACIVSA-N 0 3 378.458 0.122 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCSCC3)ncn2)CC1 ZINC000277949850 1186717915 /nfs/dbraw/zinc/71/79/15/1186717915.db2.gz XQHBSKRUJVRTHN-OAHLLOKOSA-N 0 3 376.530 0.773 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000582892990 1186725407 /nfs/dbraw/zinc/72/54/07/1186725407.db2.gz DWEFRCDBRIOFMI-RISCZKNCSA-N 0 3 376.413 0.811 20 0 GCADHN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582915661 1186729316 /nfs/dbraw/zinc/72/93/16/1186729316.db2.gz INJMPOBLZPCYOU-CGTJXYLNSA-N 0 3 386.496 0.910 20 0 GCADHN CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc1 ZINC000582916388 1186729433 /nfs/dbraw/zinc/72/94/33/1186729433.db2.gz OWEDTGLFYBUKPK-HOCLYGCPSA-N 0 3 395.529 0.637 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC[C@H](O)Cc1ccccc1 ZINC000582959879 1186737589 /nfs/dbraw/zinc/73/75/89/1186737589.db2.gz QGWMXBZUAQBERG-GOSISDBHSA-N 0 3 378.494 0.993 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4cccc(Cl)c4)CC3)CCN2C1=O ZINC000582976277 1186740091 /nfs/dbraw/zinc/74/00/91/1186740091.db2.gz OUBYPEBMNXLKRO-GJZGRUSLSA-N 0 3 390.871 0.258 20 0 GCADHN Cn1c(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc2cccc(Cl)c21 ZINC000582975782 1186740095 /nfs/dbraw/zinc/74/00/95/1186740095.db2.gz KPNVCLFNUUUECD-CMPLNLGQSA-N 0 3 376.848 0.680 20 0 GCADHN CC1CCN(CCNC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC000079267692 1186751150 /nfs/dbraw/zinc/75/11/50/1186751150.db2.gz BMOYFWGQJJKBNX-UHFFFAOYSA-N 0 3 379.549 0.914 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@H](O)C3CC3)cc2)CC1 ZINC000126124717 1186756548 /nfs/dbraw/zinc/75/65/48/1186756548.db2.gz UBEYYSRCXNALNI-IBGZPJMESA-N 0 3 388.512 0.992 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C3CC3)cc2)CC1 ZINC000126124959 1186756621 /nfs/dbraw/zinc/75/66/21/1186756621.db2.gz UBEYYSRCXNALNI-LJQANCHMSA-N 0 3 388.512 0.992 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000122523523 1186758049 /nfs/dbraw/zinc/75/80/49/1186758049.db2.gz JDVIPRJVENBFFS-GOSISDBHSA-N 0 3 386.500 0.353 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000583121592 1186775422 /nfs/dbraw/zinc/77/54/22/1186775422.db2.gz SUXNSFPSQGYZAJ-UHFFFAOYSA-N 0 3 390.484 0.676 20 0 GCADHN Cn1ccc(N2CCC[C@H](NC[C@@H](O)CN3C(=O)c4ccccc4C3=O)C2=O)n1 ZINC000583139001 1186779444 /nfs/dbraw/zinc/77/94/44/1186779444.db2.gz RRKKKHWDCFCIAV-CJNGLKHVSA-N 0 3 397.435 0.162 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000278102743 1186782455 /nfs/dbraw/zinc/78/24/55/1186782455.db2.gz OTYVLWSIHOOGFL-ZDUSSCGKSA-N 0 3 381.864 0.732 20 0 GCADHN COc1cccc(CNC(=O)[C@@H](C)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000162598899 1186785345 /nfs/dbraw/zinc/78/53/45/1186785345.db2.gz VLUWVXDTHADYQX-APWZRJJASA-N 0 3 388.512 0.938 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000583160912 1186785694 /nfs/dbraw/zinc/78/56/94/1186785694.db2.gz WLQMYRMZSQJPTI-UHFFFAOYSA-N 0 3 391.907 0.920 20 0 GCADHN C[C@H](CN[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)S(C)(=O)=O ZINC000583199442 1186793812 /nfs/dbraw/zinc/79/38/12/1186793812.db2.gz OUZKYVGDETULAR-HUUCEWRRSA-N 0 3 383.518 0.305 20 0 GCADHN C[C@@H]1CC(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC000583219977 1186798973 /nfs/dbraw/zinc/79/89/73/1186798973.db2.gz CSSIVFGEVBXZIL-FMKPAKJESA-N 0 3 382.505 0.118 20 0 GCADHN O=C(C(=O)N1CCN(C[C@H]2CCCO2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000657745410 1186805624 /nfs/dbraw/zinc/80/56/24/1186805624.db2.gz PXBGZKOGPSZDEZ-QZTJIDSGSA-N 0 3 378.517 0.396 20 0 GCADHN CN(C)CCn1cc(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)ccc1=O ZINC000535981962 1186812586 /nfs/dbraw/zinc/81/25/86/1186812586.db2.gz HSGBBFRZHPPGCU-UHFFFAOYSA-N 0 3 394.435 0.947 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000150875714 1186819564 /nfs/dbraw/zinc/81/95/64/1186819564.db2.gz YFGFBISWIJLVEB-CJNGLKHVSA-N 0 3 379.486 0.506 20 0 GCADHN C[C@H]1COCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001708259832 1186822471 /nfs/dbraw/zinc/82/24/71/1186822471.db2.gz HNLKWNGEHPYYOW-GJZGRUSLSA-N 0 3 399.561 0.993 20 0 GCADHN O=S(=O)(CCNC[C@@H](O)COc1cccc2[nH]ccc21)N1CCSCC1 ZINC000583317244 1186824956 /nfs/dbraw/zinc/82/49/56/1186824956.db2.gz ATFHSGIKHYKEMY-CQSZACIVSA-N 0 3 399.538 0.876 20 0 GCADHN CC(C)(C)CCN1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000052300518 1186836211 /nfs/dbraw/zinc/83/62/11/1186836211.db2.gz RRBTUQSGHLRUKO-UHFFFAOYSA-N 0 3 390.550 0.412 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CCN2C1=O ZINC000583392442 1186843323 /nfs/dbraw/zinc/84/33/23/1186843323.db2.gz GQVHUYWBBIQRQJ-USXIJHARSA-N 0 3 388.443 0.448 20 0 GCADHN COC(=O)Cn1cc(CCN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)nn1 ZINC000156183722 1186844860 /nfs/dbraw/zinc/84/48/60/1186844860.db2.gz BKPGKBLCYURCQO-OAHLLOKOSA-N 0 3 377.489 0.964 20 0 GCADHN CCS(=O)(=O)NCC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000150967355 1186845303 /nfs/dbraw/zinc/84/53/03/1186845303.db2.gz DXDDQUMLLPPALZ-UHFFFAOYSA-N 0 3 382.530 0.250 20 0 GCADHN Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000583420121 1186849944 /nfs/dbraw/zinc/84/99/44/1186849944.db2.gz MYHYUEMWTVXQJO-SFHVURJKSA-N 0 3 387.484 0.727 20 0 GCADHN CC(C)CCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000583452316 1186857435 /nfs/dbraw/zinc/85/74/35/1186857435.db2.gz BODDVMNKRQZZCS-WBVHZDCISA-N 0 3 388.468 0.820 20 0 GCADHN COCC[C@H](Cc1ccco1)NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000611769990 1186862819 /nfs/dbraw/zinc/86/28/19/1186862819.db2.gz BBNBLUYAWAIVDC-SJORKVTESA-N 0 3 393.484 0.713 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2c(F)cccc2F)CC1 ZINC000127588846 1186869516 /nfs/dbraw/zinc/86/95/16/1186869516.db2.gz IEKKBKBUCOHSLG-CQSZACIVSA-N 0 3 380.395 0.668 20 0 GCADHN Cc1n[nH]cc1C1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000548797760 1186871044 /nfs/dbraw/zinc/87/10/44/1186871044.db2.gz UCJZEXNAASRYQA-UHFFFAOYSA-N 0 3 392.548 0.997 20 0 GCADHN COCCN(CCN(C)C)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000278287237 1186874302 /nfs/dbraw/zinc/87/43/02/1186874302.db2.gz HAEOCZAERZGGCZ-UHFFFAOYSA-N 0 3 390.492 0.901 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H](C)c2cnn(C)c2C)CC1 ZINC000583514945 1186876225 /nfs/dbraw/zinc/87/62/25/1186876225.db2.gz ZSYUPVMPBHMIMT-ZDUSSCGKSA-N 0 3 386.456 0.658 20 0 GCADHN CN1CCN(C)CCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000888989686 1186877536 /nfs/dbraw/zinc/87/75/36/1186877536.db2.gz VRUWSARSPWPGJA-UHFFFAOYSA-N 0 3 397.564 0.635 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000151059059 1186890890 /nfs/dbraw/zinc/89/08/90/1186890890.db2.gz DOGQTSYKMPJHKV-LJQANCHMSA-N 0 3 398.507 0.670 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000151059115 1186891193 /nfs/dbraw/zinc/89/11/93/1186891193.db2.gz DOGQTSYKMPJHKV-IBGZPJMESA-N 0 3 398.507 0.670 20 0 GCADHN Cc1cc(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1S(N)(=O)=O ZINC000278331464 1186892474 /nfs/dbraw/zinc/89/24/74/1186892474.db2.gz VBOSDXCVQQLWBV-CQSZACIVSA-N 0 3 397.545 0.325 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000583589080 1186893151 /nfs/dbraw/zinc/89/31/51/1186893151.db2.gz BZCLECMLZNUXRR-HZPDHXFCSA-N 0 3 396.532 0.367 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000583589078 1186893263 /nfs/dbraw/zinc/89/32/63/1186893263.db2.gz BZCLECMLZNUXRR-CVEARBPZSA-N 0 3 396.532 0.367 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685167265 1186898594 /nfs/dbraw/zinc/89/85/94/1186898594.db2.gz CBGLEUVMBQTILC-ZBFHGGJFSA-N 0 3 392.504 0.076 20 0 GCADHN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583704699 1186923700 /nfs/dbraw/zinc/92/37/00/1186923700.db2.gz NXLKARVNHCWGPL-KWBADKCTSA-N 0 3 399.278 0.882 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)Nc2cccc3c2OCCO3)CC1 ZINC000536108688 1186924353 /nfs/dbraw/zinc/92/43/53/1186924353.db2.gz NVRYEDKKPGKNCG-UHFFFAOYSA-N 0 3 376.457 0.540 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3c3ncccn3)CCN2C1=O ZINC000583763724 1186934488 /nfs/dbraw/zinc/93/44/88/1186934488.db2.gz IUGGTTDMMACCSO-BIVLZKPYSA-N 0 3 384.484 0.385 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000583764758 1186935237 /nfs/dbraw/zinc/93/52/37/1186935237.db2.gz SXFGTLQHEUDZMA-JQWIXIFHSA-N 0 3 386.330 0.294 20 0 GCADHN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(C2CCCC2)CC1 ZINC000329430554 1186937949 /nfs/dbraw/zinc/93/79/49/1186937949.db2.gz HOWGEVZIEBGUKM-LJQANCHMSA-N 0 3 392.544 0.787 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)CCCN1C ZINC000458673423 1186938495 /nfs/dbraw/zinc/93/84/95/1186938495.db2.gz YCPJUJYHCXLTMW-KBMXLJTQSA-N 0 3 389.566 0.723 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCCC1 ZINC000583813173 1186943083 /nfs/dbraw/zinc/94/30/83/1186943083.db2.gz CAWCCQYCOKOXTH-NSHDSACASA-N 0 3 394.444 0.981 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)CCN2C1=O ZINC000583823999 1186946127 /nfs/dbraw/zinc/94/61/27/1186946127.db2.gz PMPLAZZKZDJGPK-QLFBSQMISA-N 0 3 376.844 0.463 20 0 GCADHN CC(C)CN1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329494626 1186951281 /nfs/dbraw/zinc/95/12/81/1186951281.db2.gz UPTMISXGKBXFLM-SFHVURJKSA-N 0 3 380.533 0.500 20 0 GCADHN Cc1ccc2c(c1)CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)C2 ZINC000583858068 1186952631 /nfs/dbraw/zinc/95/26/31/1186952631.db2.gz RDPRZMJALFXPOP-IBGZPJMESA-N 0 3 398.507 0.645 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000583869109 1186954367 /nfs/dbraw/zinc/95/43/67/1186954367.db2.gz XLQGRGLKNKAELG-CABCVRRESA-N 0 3 379.505 0.334 20 0 GCADHN Cc1nnnn1-c1ccc(F)c(NC(=O)CN[C@H]2CCCC[C@H]2C(N)=O)c1 ZINC000131248618 1186954686 /nfs/dbraw/zinc/95/46/86/1186954686.db2.gz CTFKWWWLQGYYQP-OCCSQVGLSA-N 0 3 375.408 0.682 20 0 GCADHN CN(C)CCN1CCN(C(=O)c2ccn(-c3cc(F)cc(F)c3)n2)CC1=O ZINC000892361961 1186958547 /nfs/dbraw/zinc/95/85/47/1186958547.db2.gz FJHUXELKISBCHS-UHFFFAOYSA-N 0 3 377.395 0.997 20 0 GCADHN Cc1cc(C(=O)NCCCN2CCN(C)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000247915570 1186971337 /nfs/dbraw/zinc/97/13/37/1186971337.db2.gz BDOBKBSXZPQHDY-UHFFFAOYSA-N 0 3 396.557 0.921 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000536176302 1186971770 /nfs/dbraw/zinc/97/17/70/1186971770.db2.gz GRCBOCDTMPAZCV-SFHVURJKSA-N 0 3 388.512 0.546 20 0 GCADHN O=C(Cc1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458748836 1186973662 /nfs/dbraw/zinc/97/36/62/1186973662.db2.gz CNQKAKSYFOSTPM-OALUTQOASA-N 0 3 388.512 0.976 20 0 GCADHN O=C(Cc1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458748834 1186973795 /nfs/dbraw/zinc/97/37/95/1186973795.db2.gz CNQKAKSYFOSTPM-MOPGFXCFSA-N 0 3 388.512 0.976 20 0 GCADHN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)N[C@H]1CCCN(CCCO)C1 ZINC000458754290 1186975349 /nfs/dbraw/zinc/97/53/49/1186975349.db2.gz KVUWQYHXWUFYOK-UONOGXRCSA-N 0 3 382.427 0.396 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CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C)CC23CCCCC3)CC1 ZINC000081598792 1187047801 /nfs/dbraw/zinc/04/78/01/1187047801.db2.gz UCNBYUDGMPWWIY-UHFFFAOYSA-N 0 3 379.549 0.169 20 0 GCADHN CN1CCCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCCN2C)CC1 ZINC000643353531 1187050458 /nfs/dbraw/zinc/05/04/58/1187050458.db2.gz IVEVBVKZUTVTGO-DLBZAZTESA-N 0 3 380.533 0.425 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1cnc(N(C)C)n1C ZINC000083717539 1187052063 /nfs/dbraw/zinc/05/20/63/1187052063.db2.gz QKOUAKNEMMAWNJ-HNNXBMFYSA-N 0 3 379.509 0.228 20 0 GCADHN CN1C(=O)CC[C@@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1=O ZINC000584406952 1187052598 /nfs/dbraw/zinc/05/25/98/1187052598.db2.gz CTOMMFHEWCHNAT-DLBZAZTESA-N 0 3 388.468 0.724 20 0 GCADHN O=C(COC1CNC1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000584408595 1187054405 /nfs/dbraw/zinc/05/44/05/1187054405.db2.gz HYWCVFLHIYWBDQ-LJQANCHMSA-N 0 3 386.496 0.310 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000685303348 1187059000 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ZINC000140145780 1187131863 /nfs/dbraw/zinc/13/18/63/1187131863.db2.gz SHMKZMMKTMKCIE-MRXNPFEDSA-N 0 3 394.497 0.653 20 0 GCADHN COCCN1CCC(NC(=O)NCc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000140289735 1187134808 /nfs/dbraw/zinc/13/48/08/1187134808.db2.gz KTFMEGSIRHWMCB-UHFFFAOYSA-N 0 3 398.529 0.847 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000685519996 1187141394 /nfs/dbraw/zinc/14/13/94/1187141394.db2.gz BCXNXZBOIIFRQJ-DLBZAZTESA-N 0 3 380.533 0.404 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000685519998 1187141767 /nfs/dbraw/zinc/14/17/67/1187141767.db2.gz BCXNXZBOIIFRQJ-IRXDYDNUSA-N 0 3 380.533 0.404 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000685520388 1187143671 /nfs/dbraw/zinc/14/36/71/1187143671.db2.gz SCMHXRGWEPITLN-INIZCTEOSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CCO[C@H](c2nccn2C)C1 ZINC000611940297 1187146654 /nfs/dbraw/zinc/14/66/54/1187146654.db2.gz 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CC(C)(C)N1C[C@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1=O ZINC000612044317 1187245289 /nfs/dbraw/zinc/24/52/89/1187245289.db2.gz LHYCKJUSLGJLSI-ARFHVFGLSA-N 0 3 378.517 0.883 20 0 GCADHN O=C(C(=O)N1CCN(C2CCCC2)CC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000658146544 1187249222 /nfs/dbraw/zinc/24/92/22/1187249222.db2.gz QHKZKWIKKMVIJM-QGZVFWFLSA-N 0 3 378.517 0.254 20 0 GCADHN CCN1CCN(CCCNC(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000147643860 1187258958 /nfs/dbraw/zinc/25/89/58/1187258958.db2.gz OJPIRBYVFMTROZ-UHFFFAOYSA-N 0 3 392.500 0.577 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C1 ZINC000658261193 1187261988 /nfs/dbraw/zinc/26/19/88/1187261988.db2.gz GKZIQKYQNKZNLJ-CQSZACIVSA-N 0 3 375.473 0.846 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(NS(C)(=O)=O)cc2)C1 ZINC000658263623 1187262338 /nfs/dbraw/zinc/26/23/38/1187262338.db2.gz AMVSFAKKQXCSRX-CQSZACIVSA-N 0 3 382.486 0.986 20 0 GCADHN CCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1S(N)(=O)=O ZINC000658262439 1187262419 /nfs/dbraw/zinc/26/24/19/1187262419.db2.gz SRYBNWLBWBSXEP-CQSZACIVSA-N 0 3 396.513 0.824 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000658262382 1187262873 /nfs/dbraw/zinc/26/28/73/1187262873.db2.gz SYTFIESJDGXTAL-CQSZACIVSA-N 0 3 396.513 0.864 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(C)(C)c4c[nH]cn4)C[C@H]32)O1 ZINC000972856009 1187281984 /nfs/dbraw/zinc/28/19/84/1187281984.db2.gz FBHSMYIEVXRPTL-KLHDSHLOSA-N 0 3 389.500 0.466 20 0 GCADHN Cn1cc([C@H](CNC(=O)[C@@H]2CCCCN2C)NC(=O)[C@@H]2CCCCN2C)cn1 ZINC000635725222 1187318681 /nfs/dbraw/zinc/31/86/81/1187318681.db2.gz KYWDQIDQIMACDV-BZSNNMDCSA-N 0 3 390.532 0.662 20 0 GCADHN O=C(C(=O)N1CCC[C@H]1CN1CCCCC1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000658507622 1187322861 /nfs/dbraw/zinc/32/28/61/1187322861.db2.gz WGHBWPBKBNMFDM-ROUUACIJSA-N 0 3 390.528 0.934 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000658529970 1187326561 /nfs/dbraw/zinc/32/65/61/1187326561.db2.gz TTYQTXUAQHSARA-MRXNPFEDSA-N 0 3 399.438 0.729 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)cc1 ZINC000148612044 1187329086 /nfs/dbraw/zinc/32/90/86/1187329086.db2.gz UZCHEDBNYYWJIO-UHFFFAOYSA-N 0 3 379.457 0.877 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H]2COCCO2)c1 ZINC000658540174 1187332925 /nfs/dbraw/zinc/33/29/25/1187332925.db2.gz QOSTUOFIQBDSNU-GOSISDBHSA-N 0 3 377.485 0.759 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000658541717 1187334370 /nfs/dbraw/zinc/33/43/70/1187334370.db2.gz LDYOWOSETZRKGS-GOSISDBHSA-N 0 3 376.501 0.760 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@@H]3COCCO3)c2)CC1 ZINC000658549433 1187339076 /nfs/dbraw/zinc/33/90/76/1187339076.db2.gz RJHKRCQQGDWBOB-GOSISDBHSA-N 0 3 390.484 0.641 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000658567552 1187348375 /nfs/dbraw/zinc/34/83/75/1187348375.db2.gz ABYRJHRGEDXBAK-UHFFFAOYSA-N 0 3 375.473 0.049 20 0 GCADHN CO[C@@H](CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)C1CCCCC1 ZINC000658569706 1187350387 /nfs/dbraw/zinc/35/03/87/1187350387.db2.gz CNLZIXAILUFYFP-SFHVURJKSA-N 0 3 382.549 0.794 20 0 GCADHN COc1ccc(N2C[C@@H](NC(=O)C(=O)N(C)CCN(C)C3CC3)CC2=O)cc1 ZINC000612178340 1187360958 /nfs/dbraw/zinc/36/09/58/1187360958.db2.gz QPFLVAKKFZWELS-AWEZNQCLSA-N 0 3 388.468 0.469 20 0 GCADHN COc1ccc(N2C[C@@H](NC(=O)C(=O)N(C)CCN3CCCC3)CC2=O)cc1 ZINC000612177513 1187361447 /nfs/dbraw/zinc/36/14/47/1187361447.db2.gz AKRJDKYIRKRURL-HNNXBMFYSA-N 0 3 388.468 0.471 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1O ZINC001024376536 1187366887 /nfs/dbraw/zinc/36/68/87/1187366887.db2.gz OQUWWQWQPSQLRX-AXUOBQJMSA-N 0 3 389.496 0.865 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658607291 1187379576 /nfs/dbraw/zinc/37/95/76/1187379576.db2.gz XIVJGWYAGWVVNS-MRXNPFEDSA-N 0 3 390.484 0.641 20 0 GCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CCCN1c1ncccn1 ZINC000647414234 1187397969 /nfs/dbraw/zinc/39/79/69/1187397969.db2.gz ZKQYMRFYDHWNOH-RTBURBONSA-N 0 3 381.480 0.981 20 0 GCADHN C[C@@H]1c2nncn2CCN1C(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000612221132 1187408713 /nfs/dbraw/zinc/40/87/13/1187408713.db2.gz OQQPFNHUYFHINV-OAHLLOKOSA-N 0 3 397.483 0.605 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C3CCC3)C2)CC1 ZINC000658676737 1187408742 /nfs/dbraw/zinc/40/87/42/1187408742.db2.gz JRWQPFCEJFNVJA-ROUUACIJSA-N 0 3 390.528 0.790 20 0 GCADHN C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000612221625 1187410810 /nfs/dbraw/zinc/41/08/10/1187410810.db2.gz VHJYRFBOSJGMDZ-APWZRJJASA-N 0 3 388.512 0.887 20 0 GCADHN CCO[C@@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1OC ZINC000892482816 1187453860 /nfs/dbraw/zinc/45/38/60/1187453860.db2.gz ZAJHOCCLOFUDTC-RCCFBDPRSA-N 0 3 384.498 0.990 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CN1Cc1ccccc1 ZINC000612299851 1187454463 /nfs/dbraw/zinc/45/44/63/1187454463.db2.gz LAVZZSNNJPPXDM-HYVNUMGLSA-N 0 3 380.514 0.681 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1 ZINC000658776626 1187455981 /nfs/dbraw/zinc/45/59/81/1187455981.db2.gz CBVYWKBRINWULY-CQSZACIVSA-N 0 3 382.486 0.442 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1 ZINC000658776625 1187456106 /nfs/dbraw/zinc/45/61/06/1187456106.db2.gz CBVYWKBRINWULY-AWEZNQCLSA-N 0 3 382.486 0.442 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1 ZINC000658778020 1187458492 /nfs/dbraw/zinc/45/84/92/1187458492.db2.gz LHOXWCFSULUCLQ-GFCCVEGCSA-N 0 3 386.449 0.273 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1 ZINC000658779463 1187458967 /nfs/dbraw/zinc/45/89/67/1187458967.db2.gz PWIGBDWXJWTCEQ-JTQLQIEISA-N 0 3 389.424 0.907 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000658779060 1187460373 /nfs/dbraw/zinc/46/03/73/1187460373.db2.gz RRKCMDGANMFNAT-CYBMUJFWSA-N 0 3 394.497 0.548 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1 ZINC000658779130 1187460577 /nfs/dbraw/zinc/46/05/77/1187460577.db2.gz OKFUGQJPGNITOH-CQSZACIVSA-N 0 3 385.461 0.909 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)C1 ZINC000658782388 1187463073 /nfs/dbraw/zinc/46/30/73/1187463073.db2.gz GOZVJGFKUHIOIF-LBPRGKRZSA-N 0 3 398.410 0.968 20 0 GCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC000612412993 1187484065 /nfs/dbraw/zinc/48/40/65/1187484065.db2.gz NUOGENCUQPRHIM-NFBKMPQASA-N 0 3 393.487 0.980 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)C[C@@H](CO)O1 ZINC000569952009 1187486227 /nfs/dbraw/zinc/48/62/27/1187486227.db2.gz AMQWCVFBDDAKKJ-PLMTUMEDSA-N 0 3 389.496 0.766 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000612481866 1187504906 /nfs/dbraw/zinc/50/49/06/1187504906.db2.gz GKVBUOGATPANLW-HNNXBMFYSA-N 0 3 392.479 0.501 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000612488340 1187507079 /nfs/dbraw/zinc/50/70/79/1187507079.db2.gz ZKKQNFRKTHVICC-QZTJIDSGSA-N 0 3 380.533 0.546 20 0 GCADHN NS(=O)(=O)c1cccc2c1ccnc2C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413794952 1187513280 /nfs/dbraw/zinc/51/32/80/1187513280.db2.gz ARBHLOVYRZAMSC-CYBMUJFWSA-N 0 3 392.481 0.459 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)CC1 ZINC000612521654 1187513531 /nfs/dbraw/zinc/51/35/31/1187513531.db2.gz BOOBWCABNUVQRE-LAUBAEHRSA-N 0 3 384.480 0.209 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)CC1 ZINC000612521653 1187513600 /nfs/dbraw/zinc/51/36/00/1187513600.db2.gz BOOBWCABNUVQRE-DYESRHJHSA-N 0 3 384.480 0.209 20 0 GCADHN Cc1cnnn1-c1ccc(NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000658803243 1187517565 /nfs/dbraw/zinc/51/75/65/1187517565.db2.gz OVKRKAIRVKCFMK-GOSISDBHSA-N 0 3 398.467 0.884 20 0 GCADHN O=C(CC1(C(=O)N[C@H](CO)CN2CCCCC2)CCCC1)N1CCOCC1 ZINC000413809521 1187519881 /nfs/dbraw/zinc/51/98/81/1187519881.db2.gz UCGZNONVULETKX-KRWDZBQOSA-N 0 3 381.517 0.759 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(OCC)nn3)CC2)C1 ZINC000612542506 1187519906 /nfs/dbraw/zinc/51/99/06/1187519906.db2.gz IXYVTMCEDNWQLX-OAHLLOKOSA-N 0 3 390.488 0.124 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000612551641 1187520838 /nfs/dbraw/zinc/52/08/38/1187520838.db2.gz QNKKAOWPCYVSBX-HNNXBMFYSA-N 0 3 379.892 0.984 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3OC)CC2)C1 ZINC000612551637 1187521299 /nfs/dbraw/zinc/52/12/99/1187521299.db2.gz QKQBRUWJCNBKIF-GOSISDBHSA-N 0 3 388.512 0.940 20 0 GCADHN O=C(CC1(C(=O)N[C@@H](CO)CN2CCCCC2)CCCC1)N1CCOCC1 ZINC000413809524 1187523108 /nfs/dbraw/zinc/52/31/08/1187523108.db2.gz UCGZNONVULETKX-QGZVFWFLSA-N 0 3 381.517 0.759 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](N4CCOCC4)C34CCC4)[C@H]2C1 ZINC000612560055 1187524275 /nfs/dbraw/zinc/52/42/75/1187524275.db2.gz OQWCFLKWZSNVIW-XMTFNYHQSA-N 0 3 390.528 0.299 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](N4CCOCC4)C34CCC4)[C@H]2C1 ZINC000612560054 1187524560 /nfs/dbraw/zinc/52/45/60/1187524560.db2.gz OQWCFLKWZSNVIW-WNRNVDISSA-N 0 3 390.528 0.299 20 0 GCADHN O=C(CNS(=O)(=O)c1cccc(F)c1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000685785120 1187529681 /nfs/dbraw/zinc/52/96/81/1187529681.db2.gz KABBDBFQVZWCGU-OAHLLOKOSA-N 0 3 385.461 0.474 20 0 GCADHN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413820408 1187530625 /nfs/dbraw/zinc/53/06/25/1187530625.db2.gz QPGOPGPWNQUZRM-NVXWUHKLSA-N 0 3 387.488 0.238 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000612594632 1187535834 /nfs/dbraw/zinc/53/58/34/1187535834.db2.gz NZMQXTAMMSQDBC-QZTJIDSGSA-N 0 3 379.501 0.774 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H]1n1ccnc1 ZINC000612596669 1187536118 /nfs/dbraw/zinc/53/61/18/1187536118.db2.gz RSUUCALZPVIGHF-KBAYOESNSA-N 0 3 389.500 0.662 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N(CCCO)Cc1ccccc1 ZINC000612596970 1187536633 /nfs/dbraw/zinc/53/66/33/1187536633.db2.gz YTGONZQCIPEPEH-LJQANCHMSA-N 0 3 389.496 0.767 20 0 GCADHN CN(C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@H](CO)Cc1ccccc1 ZINC000612592369 1187537842 /nfs/dbraw/zinc/53/78/42/1187537842.db2.gz PKVGGICWGAGTAQ-OALUTQOASA-N 0 3 389.496 0.418 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC2(CCCC2)O1 ZINC000612592403 1187538042 /nfs/dbraw/zinc/53/80/42/1187538042.db2.gz QDHISRWQKNMNRJ-WBVHZDCISA-N 0 3 379.501 0.916 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612605776 1187538140 /nfs/dbraw/zinc/53/81/40/1187538140.db2.gz BXQXCLONXJXUGC-XHSDSOJGSA-N 0 3 378.517 0.835 20 0 GCADHN COCCN(Cc1cccnc1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612599221 1187538595 /nfs/dbraw/zinc/53/85/95/1187538595.db2.gz RDISIJXFRIYMJI-GOSISDBHSA-N 0 3 390.484 0.426 20 0 GCADHN Cc1ccc(CN(CCO)C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000612598628 1187538722 /nfs/dbraw/zinc/53/87/22/1187538722.db2.gz YXCLBGDLJGWAET-IBGZPJMESA-N 0 3 389.496 0.685 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612613208 1187540775 /nfs/dbraw/zinc/54/07/75/1187540775.db2.gz NAMLJTZIYUPHLK-JKSUJKDBSA-N 0 3 396.532 0.319 20 0 GCADHN CC(C)(C)N1C[C@@H](CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1=O ZINC000612613659 1187541565 /nfs/dbraw/zinc/54/15/65/1187541565.db2.gz TXAPDVFXIXEXNL-CVEARBPZSA-N 0 3 378.517 0.836 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612609024 1187542872 /nfs/dbraw/zinc/54/28/72/1187542872.db2.gz WUIIVDYMNILJOV-HNNXBMFYSA-N 0 3 392.500 0.933 20 0 GCADHN CCOC(=O)c1sc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)nc1C ZINC000588995916 1187547730 /nfs/dbraw/zinc/54/77/30/1187547730.db2.gz OAVMVDHQCJKHMH-ZDUSSCGKSA-N 0 3 394.497 0.941 20 0 GCADHN CCN1CC[C@H](NC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)NCCOC)C2)C1 ZINC000413869959 1187553206 /nfs/dbraw/zinc/55/32/06/1187553206.db2.gz ZKQOUUNZOGNFOX-CABCVRRESA-N 0 3 392.504 0.769 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)CC1=O ZINC000376038407 1187556898 /nfs/dbraw/zinc/55/68/98/1187556898.db2.gz JDQASSPWYXYEKP-GJZGRUSLSA-N 0 3 387.440 0.296 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)CO)CC1 ZINC000658824164 1187567402 /nfs/dbraw/zinc/56/74/02/1187567402.db2.gz WMGTUPIAHHBYIG-SJORKVTESA-N 0 3 396.532 0.009 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)CO)CC1 ZINC000658824161 1187567780 /nfs/dbraw/zinc/56/77/80/1187567780.db2.gz WMGTUPIAHHBYIG-DLBZAZTESA-N 0 3 396.532 0.009 20 0 GCADHN CC(C)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC1CC1 ZINC000612740161 1187570486 /nfs/dbraw/zinc/57/04/86/1187570486.db2.gz YQAJKRCGQUGDTL-MRXNPFEDSA-N 0 3 376.505 0.985 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)C1 ZINC000413911784 1187582338 /nfs/dbraw/zinc/58/23/38/1187582338.db2.gz ZDUJWBARYLWFGE-IBGZPJMESA-N 0 3 388.512 0.611 20 0 GCADHN Cn1cc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CC2CC2)cn1 ZINC000612851083 1187603943 /nfs/dbraw/zinc/60/39/43/1187603943.db2.gz DSBPQOIXPONOBU-QGZVFWFLSA-N 0 3 398.515 0.831 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CN(C)C[C@@H]2c2ccccc2)CC1 ZINC000376125732 1187620125 /nfs/dbraw/zinc/62/01/25/1187620125.db2.gz DJUUQPWMTKHNBK-SJORKVTESA-N 0 3 380.514 0.377 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CCO)CC1 ZINC000658845808 1187639841 /nfs/dbraw/zinc/63/98/41/1187639841.db2.gz VBDNGKSOLWXVNP-IAGOWNOFSA-N 0 3 396.532 0.009 20 0 GCADHN Nc1c(N(CCO)CCN2CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000157399224 1187700306 /nfs/dbraw/zinc/70/03/06/1187700306.db2.gz IGQPMCZDMXNOAY-UHFFFAOYSA-N 0 3 387.484 0.452 20 0 GCADHN C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CCN(C)[C@@H](C)[C@@H]3C)n[nH]2)CCN1C ZINC000613225781 1187701013 /nfs/dbraw/zinc/70/10/13/1187701013.db2.gz JESTUEFXFAXMDW-XGUBFFRZSA-N 0 3 376.505 0.739 20 0 GCADHN C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)N3CCN(C)[C@@H](C)[C@@H]3C)[nH]n2)CCN1C ZINC000613225781 1187701015 /nfs/dbraw/zinc/70/10/15/1187701015.db2.gz JESTUEFXFAXMDW-XGUBFFRZSA-N 0 3 376.505 0.739 20 0 GCADHN O=C(C(=O)N1CC[C@H](N2CCCCC2)C1)N(CCN1CCOCC1)CC1CC1 ZINC000658882661 1187710149 /nfs/dbraw/zinc/71/01/49/1187710149.db2.gz LADBVAYFXAYJOO-IBGZPJMESA-N 0 3 392.544 0.644 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000376251917 1187722768 /nfs/dbraw/zinc/72/27/68/1187722768.db2.gz DFKBKMYRALEGDO-ZWKOTPCHSA-N 0 3 379.549 0.914 20 0 GCADHN C[C@H]1C[C@H](O)CN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000472536619 1187727152 /nfs/dbraw/zinc/72/71/52/1187727152.db2.gz MBKXVUPQEYIXGW-AAEUAGOBSA-N 0 3 376.413 0.076 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@](O)(C(F)(F)F)CC2)n1 ZINC000376262213 1187730638 /nfs/dbraw/zinc/73/06/38/1187730638.db2.gz NCCWRJCONZXSEO-CQSZACIVSA-N 0 3 378.399 0.224 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1O)N1CCCC1 ZINC001024999658 1187741252 /nfs/dbraw/zinc/74/12/52/1187741252.db2.gz YELRTNIASLWYPC-NLDJYOPPSA-N 0 3 379.501 0.508 20 0 GCADHN O=C(CN1CCCN(C[C@H]2CCCO2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000613420748 1187743589 /nfs/dbraw/zinc/74/35/89/1187743589.db2.gz IKDFLKYZAUGYLR-GOSISDBHSA-N 0 3 378.517 0.254 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1O)N1CCCC1 ZINC001025002062 1187745271 /nfs/dbraw/zinc/74/52/71/1187745271.db2.gz YVSOYSKUDULELZ-BSDSXHPESA-N 0 3 386.496 0.747 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC1=O ZINC000376286045 1187748390 /nfs/dbraw/zinc/74/83/90/1187748390.db2.gz ADUJWCAJGLFYDX-KFWWJZLASA-N 0 3 391.472 0.693 20 0 GCADHN CCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000376296902 1187752574 /nfs/dbraw/zinc/75/25/74/1187752574.db2.gz UQPKUESSBLSPTJ-MRXNPFEDSA-N 0 3 391.497 0.654 20 0 GCADHN CCc1c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000332739404 1187759185 /nfs/dbraw/zinc/75/91/85/1187759185.db2.gz HESMPGLUGGGHKA-ABAIWWIYSA-N 0 3 385.468 0.407 20 0 GCADHN CC(C)n1c(N(C)C)nnc1S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C ZINC000414208829 1187761404 /nfs/dbraw/zinc/76/14/04/1187761404.db2.gz JXKYMFLEYZHPBH-SNVBAGLBSA-N 0 3 388.494 0.712 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000376325740 1187763397 /nfs/dbraw/zinc/76/33/97/1187763397.db2.gz SNIUATYLWVTWEU-QINHECLXSA-N 0 3 393.532 0.629 20 0 GCADHN COCCn1c(C)c(C)nc1S(=O)(=O)C(C)C(=O)NC(=O)NCC(C)C ZINC000414212878 1187766439 /nfs/dbraw/zinc/76/64/39/1187766439.db2.gz SYYYXZLPZUCKBT-ZDUSSCGKSA-N 0 3 388.490 0.790 20 0 GCADHN COc1ccc([C@H](CNC(=O)NC[C@@]2(O)CCN(C)C2)N2CCOCC2)cc1 ZINC000460238925 1187789166 /nfs/dbraw/zinc/78/91/66/1187789166.db2.gz QPOQBVQZWMMXTH-ICSRJNTNSA-N 0 3 392.500 0.434 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)N[C@H]3COC[C@H]3n3ccnn3)CC2)C[C@H](C)O1 ZINC000332837477 1187789380 /nfs/dbraw/zinc/78/93/80/1187789380.db2.gz YPZDKAUZKAYQFQ-UOVPBQLFSA-N 0 3 392.504 0.749 20 0 GCADHN CCO[C@@H]1C[C@@H](NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@H]1OC ZINC000892595572 1187804543 /nfs/dbraw/zinc/80/45/43/1187804543.db2.gz VXTWZIQSMAXHNY-JFIYKMOQSA-N 0 3 398.529 0.315 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]2[C@H]2C[C@H](C)CC[C@@H]2O)n1 ZINC000376391530 1187809317 /nfs/dbraw/zinc/80/93/17/1187809317.db2.gz LRBPPCBUDQBPBP-FPCVCCKLSA-N 0 3 378.521 0.706 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1 ZINC000376408153 1187820645 /nfs/dbraw/zinc/82/06/45/1187820645.db2.gz OCGGUJKHVSVYAB-NSHDSACASA-N 0 3 376.465 0.408 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccc1C ZINC000658979279 1187828723 /nfs/dbraw/zinc/82/87/23/1187828723.db2.gz DQPXQEBVLWCEOA-UHFFFAOYSA-N 0 3 380.430 0.179 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000658980673 1187829737 /nfs/dbraw/zinc/82/97/37/1187829737.db2.gz UFDHBKXKORMRGB-UHFFFAOYSA-N 0 3 394.457 0.649 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000658986194 1187831542 /nfs/dbraw/zinc/83/15/42/1187831542.db2.gz WVMLJLWNKZYTTJ-UHFFFAOYSA-N 0 3 386.412 0.435 20 0 GCADHN CCN(C(=O)CN1CCN(CC)C(=O)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186355302 1187834031 /nfs/dbraw/zinc/83/40/31/1187834031.db2.gz HBCNGRFLOWODKH-SFHVURJKSA-N 0 3 386.496 0.800 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000658998182 1187836972 /nfs/dbraw/zinc/83/69/72/1187836972.db2.gz INBMAULNHZKQQQ-UHFFFAOYSA-N 0 3 398.420 0.352 20 0 GCADHN CN(CCN1CCCS1(=O)=O)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001267585673 1187839587 /nfs/dbraw/zinc/83/95/87/1187839587.db2.gz BAXKTSGRXFYQBV-ZXXIGWHRSA-N 0 3 397.541 0.226 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@H]3CCCS3(=O)=O)cc2)CC1 ZINC000162215263 1187842542 /nfs/dbraw/zinc/84/25/42/1187842542.db2.gz OWLUQMKWWLXYRP-GOSISDBHSA-N 0 3 394.541 0.810 20 0 GCADHN CCN1CCN(CCNC(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)CC1 ZINC000255909728 1187843626 /nfs/dbraw/zinc/84/36/26/1187843626.db2.gz CYVZLGJSDYGGDI-XDJHFCHBSA-N 0 3 399.499 0.742 20 0 GCADHN CCS(=O)(=O)N(C)c1ccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659047002 1187852263 /nfs/dbraw/zinc/85/22/63/1187852263.db2.gz UHDKIGFLISBREO-UHFFFAOYSA-N 0 3 394.457 0.749 20 0 GCADHN CCN1CCN(CCC(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000376461002 1187853420 /nfs/dbraw/zinc/85/34/20/1187853420.db2.gz KMCQPZAETWWXSX-QZTJIDSGSA-N 0 3 396.532 0.910 20 0 GCADHN CCN1CCN(CCC(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000376461003 1187853726 /nfs/dbraw/zinc/85/37/26/1187853726.db2.gz KMCQPZAETWWXSX-ROUUACIJSA-N 0 3 396.532 0.910 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N1CC[C@](O)(C2CC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000376468459 1187862500 /nfs/dbraw/zinc/86/25/00/1187862500.db2.gz KLJHBARWQAPOSH-ZJNRKIDTSA-N 0 3 381.498 0.747 20 0 GCADHN COC(=O)c1cc(F)c(C)c(S(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000472601601 1187865875 /nfs/dbraw/zinc/86/58/75/1187865875.db2.gz FUKCUBAYNOHYKT-UHFFFAOYSA-N 0 3 388.461 0.903 20 0 GCADHN C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)[C@@H](C)CO1 ZINC000659093941 1187874017 /nfs/dbraw/zinc/87/40/17/1187874017.db2.gz FCUFVCXWTKWZTD-KBPBESRZSA-N 0 3 376.457 0.333 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC000892650224 1187879939 /nfs/dbraw/zinc/87/99/39/1187879939.db2.gz UJZNWFLPMSNBEM-YZVOILCLSA-N 0 3 379.505 0.430 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCOC[C@H]1C[C@H]1CCOC1 ZINC000892650917 1187881438 /nfs/dbraw/zinc/88/14/38/1187881438.db2.gz RYIUWEKSWGWJGX-KURKYZTESA-N 0 3 396.532 0.766 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000659104883 1187882092 /nfs/dbraw/zinc/88/20/92/1187882092.db2.gz SFJBLRJLYLQGPL-AWEZNQCLSA-N 0 3 386.452 0.578 20 0 GCADHN CCOCCN(Cc1ccc(C(=O)OC)o1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000536537281 1187888269 /nfs/dbraw/zinc/88/82/69/1187888269.db2.gz FLWZOOPZIFRNMF-MRXNPFEDSA-N 0 3 379.457 0.821 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c(C)c1 ZINC000659111242 1187891095 /nfs/dbraw/zinc/89/10/95/1187891095.db2.gz DJMNNOOTRCJVNA-UHFFFAOYSA-N 0 3 389.412 0.229 20 0 GCADHN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000566479940 1187897370 /nfs/dbraw/zinc/89/73/70/1187897370.db2.gz DCTSRDAAMGTPGD-GPMSIDNRSA-N 0 3 382.468 0.926 20 0 GCADHN COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000642958155 1187897381 /nfs/dbraw/zinc/89/73/81/1187897381.db2.gz QGQNNEUATMNQJR-XBFCOCLRSA-N 0 3 377.441 0.864 20 0 GCADHN C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCCN(C3CCCC3)CC1)CCO2 ZINC000659132360 1187900261 /nfs/dbraw/zinc/90/02/61/1187900261.db2.gz CCLAXXJQASIOKA-OXJNMPFZSA-N 0 3 379.501 0.870 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCN(CC(=O)NC2CC2)CC1)Cc1ccccc1 ZINC000053537964 1187902338 /nfs/dbraw/zinc/90/23/38/1187902338.db2.gz POODVRAIBKBFSY-IBGZPJMESA-N 0 3 387.528 0.765 20 0 GCADHN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H]1CN2CCN1CCC2 ZINC000376539908 1187915424 /nfs/dbraw/zinc/91/54/24/1187915424.db2.gz MYSQDRYVAGFXOD-MRXNPFEDSA-N 0 3 388.468 0.635 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3c3nnc4n3CCCC4)C[C@@H]21 ZINC000659225711 1187915795 /nfs/dbraw/zinc/91/57/95/1187915795.db2.gz MFBTZACHTBGPOR-PMPSAXMXSA-N 0 3 386.500 0.831 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1=O ZINC000178208211 1187944071 /nfs/dbraw/zinc/94/40/71/1187944071.db2.gz MRGOLGLPGWHVDG-CJNGLKHVSA-N 0 3 392.887 0.972 20 0 GCADHN CCOCC(=O)NNC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000066699315 1187949821 /nfs/dbraw/zinc/94/98/21/1187949821.db2.gz KYLSOOFJTZSGAG-UHFFFAOYSA-N 0 3 377.489 0.691 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)[C@@H](C)C1 ZINC000589240002 1187952926 /nfs/dbraw/zinc/95/29/26/1187952926.db2.gz WCNVNZBVCOFUSE-HOTGVXAUSA-N 0 3 396.532 0.319 20 0 GCADHN O=C(Nc1ccccc1CN1C(=O)CCC1=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000589240439 1187953110 /nfs/dbraw/zinc/95/31/10/1187953110.db2.gz STDYDXSTTIPEQS-INIZCTEOSA-N 0 3 398.463 0.971 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H](CN2CCOCC2)c2ccccc2)n1 ZINC000659428906 1187956532 /nfs/dbraw/zinc/95/65/32/1187956532.db2.gz JMBYFVPLLVMZHS-MRXNPFEDSA-N 0 3 386.456 0.514 20 0 GCADHN Cc1cc(C)n(-c2ccc(CNC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)cn2)n1 ZINC000659433114 1187957635 /nfs/dbraw/zinc/95/76/35/1187957635.db2.gz FKGNAJTVVIOGFI-UHFFFAOYSA-N 0 3 382.428 0.838 20 0 GCADHN C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCc2sccc2C1 ZINC000659438492 1187958278 /nfs/dbraw/zinc/95/82/78/1187958278.db2.gz YVLIXGJDYSASLI-NSHDSACASA-N 0 3 376.486 0.948 20 0 GCADHN CCc1cc(N2CCC[C@@H](NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)C2)ncn1 ZINC000659454705 1187961212 /nfs/dbraw/zinc/96/12/12/1187961212.db2.gz MYHDXNUTVPPAPC-CYBMUJFWSA-N 0 3 386.460 0.462 20 0 GCADHN COCCOCc1ccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659494396 1187965430 /nfs/dbraw/zinc/96/54/30/1187965430.db2.gz QGCVNNIZPNWRLF-UHFFFAOYSA-N 0 3 375.429 0.803 20 0 GCADHN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659491926 1187965610 /nfs/dbraw/zinc/96/56/10/1187965610.db2.gz GCUPQVGUJLJONA-LLVKDONJSA-N 0 3 393.469 0.995 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000659491994 1187965648 /nfs/dbraw/zinc/96/56/48/1187965648.db2.gz PERLTJYZCSEDRC-OAHLLOKOSA-N 0 3 398.467 0.674 20 0 GCADHN CC(C)(C)O[C@@H]1C[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H]1n1cccn1 ZINC000659500943 1187966505 /nfs/dbraw/zinc/96/65/05/1187966505.db2.gz LIDQXSDJIRPRQV-WOSRLPQWSA-N 0 3 389.460 0.834 20 0 GCADHN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H]1n1cccn1 ZINC000659500945 1187966700 /nfs/dbraw/zinc/96/67/00/1187966700.db2.gz LIDQXSDJIRPRQV-XJKCOSOUSA-N 0 3 389.460 0.834 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)CCO1 ZINC000659521480 1187968180 /nfs/dbraw/zinc/96/81/80/1187968180.db2.gz MUAHTIJAUIQDAJ-UTKZUKDTSA-N 0 3 387.480 0.824 20 0 GCADHN COc1ccc(N2C[C@@H](NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2=O)cc1 ZINC000659564406 1187971837 /nfs/dbraw/zinc/97/18/37/1187971837.db2.gz ILTBFJAXJGYCRV-LBPRGKRZSA-N 0 3 386.412 0.254 20 0 GCADHN COc1ccc(CNCC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)nn1 ZINC001104671930 1187975936 /nfs/dbraw/zinc/97/59/36/1187975936.db2.gz AVXKTNHTLWLTFT-LUYZLQTOSA-N 0 3 391.472 0.092 20 0 GCADHN CC[C@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(=O)NCc1cccs1 ZINC000659628389 1187976954 /nfs/dbraw/zinc/97/69/54/1187976954.db2.gz BOEFATOOUIFURN-LBPRGKRZSA-N 0 3 378.458 0.597 20 0 GCADHN CC[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(=O)NCc1cccs1 ZINC000659628387 1187977249 /nfs/dbraw/zinc/97/72/49/1187977249.db2.gz BOEFATOOUIFURN-GFCCVEGCSA-N 0 3 378.458 0.597 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000659629062 1187977279 /nfs/dbraw/zinc/97/72/79/1187977279.db2.gz CSBAJXYXIHFIHY-UHFFFAOYSA-N 0 3 384.440 0.237 20 0 GCADHN CC1(C)Oc2ccsc2[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H]1O ZINC000659630533 1187978480 /nfs/dbraw/zinc/97/84/80/1187978480.db2.gz PZTJZXUKKBRFQO-OCCSQVGLSA-N 0 3 379.442 0.775 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)n1 ZINC000659630608 1187978486 /nfs/dbraw/zinc/97/84/86/1187978486.db2.gz KCOABWLJSGXAKX-KDOFPFPSSA-N 0 3 375.404 0.745 20 0 GCADHN C[C@](O)(C1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1)C(F)(F)F ZINC000659630679 1187978757 /nfs/dbraw/zinc/97/87/57/1187978757.db2.gz LSVZCJCBTJBLIT-AWEZNQCLSA-N 0 3 377.367 0.876 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCCn2ccc3ccccc32)n1 ZINC000659673343 1187991297 /nfs/dbraw/zinc/99/12/97/1187991297.db2.gz AOGHRUXPWMOLMZ-UHFFFAOYSA-N 0 3 382.424 0.418 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2)n1 ZINC000659685933 1187996907 /nfs/dbraw/zinc/99/69/07/1187996907.db2.gz AFKVUJYLEVFVHQ-ZDUSSCGKSA-N 0 3 384.440 0.042 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2ccccc2OC(F)F)n1 ZINC000659687640 1187997526 /nfs/dbraw/zinc/99/75/26/1187997526.db2.gz JIFPXAJGHHROLD-UHFFFAOYSA-N 0 3 395.366 0.217 20 0 GCADHN COc1ccc(CC[C@H](C)NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659697879 1188000090 /nfs/dbraw/zinc/00/00/90/1188000090.db2.gz KOSUTHNGXJNKBM-LBPRGKRZSA-N 0 3 387.440 0.403 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC000659690955 1188000302 /nfs/dbraw/zinc/00/03/02/1188000302.db2.gz KUZIKSMGSCIUPF-WMLDXEAASA-N 0 3 385.424 0.294 20 0 GCADHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1(CC)CC ZINC000659691255 1188000445 /nfs/dbraw/zinc/00/04/45/1188000445.db2.gz FRBUEPDHSCVKPK-CHWSQXEVSA-N 0 3 379.461 0.357 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000659706163 1188002537 /nfs/dbraw/zinc/00/25/37/1188002537.db2.gz FFMFLPLRFGWTGB-AWEZNQCLSA-N 0 3 398.467 0.290 20 0 GCADHN CC(C)(CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1F ZINC000659698894 1188004139 /nfs/dbraw/zinc/00/41/39/1188004139.db2.gz XHOHCHMBLKVKNQ-UHFFFAOYSA-N 0 3 375.404 0.490 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccnc1N1CCCC1 ZINC000659717544 1188006933 /nfs/dbraw/zinc/00/69/33/1188006933.db2.gz IOVVKRWDRTXHGM-UKRRQHHQSA-N 0 3 375.473 0.527 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000659719265 1188007457 /nfs/dbraw/zinc/00/74/57/1188007457.db2.gz GIJFEUUXTRLDRT-VQTJNVASSA-N 0 3 396.491 0.889 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCc3ccccc3CC2)CC1 ZINC000659720806 1188008386 /nfs/dbraw/zinc/00/83/86/1188008386.db2.gz YBRGZMWEAKHSMI-LJQANCHMSA-N 0 3 398.507 0.379 20 0 GCADHN CN(CCc1ccccn1)C(=O)CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892705349 1188008400 /nfs/dbraw/zinc/00/84/00/1188008400.db2.gz NSGRZSODCBQNHT-ZWKOTPCHSA-N 0 3 389.500 0.323 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)c2)CC1 ZINC000613603059 1188021400 /nfs/dbraw/zinc/02/14/00/1188021400.db2.gz RCSLYUMPGPUTET-OAHLLOKOSA-N 0 3 395.529 0.683 20 0 GCADHN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377468787 1188030285 /nfs/dbraw/zinc/03/02/85/1188030285.db2.gz CXDWFZXZLQQPKT-KGLIPLIRSA-N 0 3 377.441 0.834 20 0 GCADHN CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCCNCC2)c(F)c1 ZINC000415311766 1188030293 /nfs/dbraw/zinc/03/02/93/1188030293.db2.gz RVTMCFTYFDDISO-UHFFFAOYSA-N 0 3 386.449 0.738 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000377477265 1188030577 /nfs/dbraw/zinc/03/05/77/1188030577.db2.gz SUXQQYKQJDEOED-OAHLLOKOSA-N 0 3 380.489 0.810 20 0 GCADHN CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1 ZINC000415326675 1188035370 /nfs/dbraw/zinc/03/53/70/1188035370.db2.gz WQEUVRCAQWPJQA-UHFFFAOYSA-N 0 3 382.486 0.989 20 0 GCADHN Cc1oc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1S(=O)(=O)N1CCCC1 ZINC000377482315 1188038115 /nfs/dbraw/zinc/03/81/15/1188038115.db2.gz VBRMERLAIKFTFG-LSDHHAIUSA-N 0 3 397.497 0.966 20 0 GCADHN C[C@H]1CNCCN1C(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000415340553 1188049046 /nfs/dbraw/zinc/04/90/46/1188049046.db2.gz FFTOKPKFBHYADA-INIZCTEOSA-N 0 3 399.495 0.732 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377580884 1188080764 /nfs/dbraw/zinc/08/07/64/1188080764.db2.gz JHCWRXQMWNRPST-HZPDHXFCSA-N 0 3 396.513 0.599 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000377586977 1188081998 /nfs/dbraw/zinc/08/19/98/1188081998.db2.gz ZVKJYFSUXDNUSM-SCZZXKLOSA-N 0 3 399.498 0.869 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000377586978 1188082540 /nfs/dbraw/zinc/08/25/40/1188082540.db2.gz ZVKJYFSUXDNUSM-WPRPVWTQSA-N 0 3 399.498 0.869 20 0 GCADHN CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N(C)CCN(C)C)cc1 ZINC000565188610 1188090652 /nfs/dbraw/zinc/09/06/52/1188090652.db2.gz JPHQESQANLYYJU-SJLPKXTDSA-N 0 3 397.541 0.954 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)cc1OC ZINC000415488393 1188090702 /nfs/dbraw/zinc/09/07/02/1188090702.db2.gz HYBKDPQPOFBXQG-ZDUSSCGKSA-N 0 3 398.485 0.606 20 0 GCADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377727220 1188118084 /nfs/dbraw/zinc/11/80/84/1188118084.db2.gz LSSFPNRKRJJNHP-HZPDHXFCSA-N 0 3 388.468 0.663 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000377730092 1188120133 /nfs/dbraw/zinc/12/01/33/1188120133.db2.gz QQRSLQYGHMUJTO-HOTGVXAUSA-N 0 3 388.424 0.561 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)C1 ZINC000377759963 1188131371 /nfs/dbraw/zinc/13/13/71/1188131371.db2.gz JTNUZTPOHZLDJJ-LSDHHAIUSA-N 0 3 376.457 0.820 20 0 GCADHN C[C@@H]1CN(c2cc(C(N)=O)nc(N3C[C@H](C)N(C)C[C@H]3C)n2)[C@@H](C)CN1C ZINC000893077650 1188137927 /nfs/dbraw/zinc/13/79/27/1188137927.db2.gz BNDXWAVQYVAKMK-CBBWQLFWSA-N 0 3 375.521 0.633 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000415693275 1188140911 /nfs/dbraw/zinc/14/09/11/1188140911.db2.gz HTKBNRTVMGAUSO-FZMZJTMJSA-N 0 3 377.445 0.478 20 0 GCADHN CCS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000377860403 1188158288 /nfs/dbraw/zinc/15/82/88/1188158288.db2.gz JZMTVPBKUVVOBD-SJORKVTESA-N 0 3 381.498 0.719 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000377896739 1188165463 /nfs/dbraw/zinc/16/54/63/1188165463.db2.gz AHMBOIRVGQQREP-OALUTQOASA-N 0 3 393.576 0.604 20 0 GCADHN CC(C)n1cnnc1C1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000377953145 1189385584 /nfs/dbraw/zinc/38/55/84/1189385584.db2.gz LXICVWJJJRHRLB-INIZCTEOSA-N 0 3 376.505 0.975 20 0 GCADHN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2CNCCO2)c1 ZINC000415863071 1189386435 /nfs/dbraw/zinc/38/64/35/1189386435.db2.gz LHKVDTNGAPWHJS-GFCCVEGCSA-N 0 3 383.832 0.948 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1=O ZINC000377949381 1189386683 /nfs/dbraw/zinc/38/66/83/1189386683.db2.gz JMNUDEKNDHXKIE-ZDUSSCGKSA-N 0 3 394.501 0.125 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415858395 1189387655 /nfs/dbraw/zinc/38/76/55/1189387655.db2.gz FCDHCSRDXQQYED-CYBMUJFWSA-N 0 3 397.357 0.934 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000415869948 1189389995 /nfs/dbraw/zinc/38/99/95/1189389995.db2.gz RRIWDONEYZOHNM-KBPBESRZSA-N 0 3 397.859 0.941 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000415869950 1189390245 /nfs/dbraw/zinc/39/02/45/1189390245.db2.gz RRIWDONEYZOHNM-UONOGXRCSA-N 0 3 397.859 0.941 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000415864580 1189390874 /nfs/dbraw/zinc/39/08/74/1189390874.db2.gz MOBSTTPAXYEBNB-AWEZNQCLSA-N 0 3 397.357 0.934 20 0 GCADHN CCOCCOc1c(Cl)cccc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415873858 1189391197 /nfs/dbraw/zinc/39/11/97/1189391197.db2.gz ZHQNZGBDJTUIIO-GFCCVEGCSA-N 0 3 385.848 0.798 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000415872242 1189393254 /nfs/dbraw/zinc/39/32/54/1189393254.db2.gz WGVDUJNTXQTLLK-KRWDZBQOSA-N 0 3 383.452 0.868 20 0 GCADHN O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)C(=O)N1CCOC2(CNC2)C1 ZINC000415892857 1189397721 /nfs/dbraw/zinc/39/77/21/1189397721.db2.gz MDYHNUOMDUPUOV-UHFFFAOYSA-N 0 3 375.816 0.665 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)C2)CC1 ZINC000378111227 1189416707 /nfs/dbraw/zinc/41/67/07/1189416707.db2.gz MQKISUHKYZPADX-MRXNPFEDSA-N 0 3 399.495 0.729 20 0 GCADHN C[C@H](CN1CCN(C)CC1)NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000106516945 1189432371 /nfs/dbraw/zinc/43/23/71/1189432371.db2.gz XQTJHEIKWQGPFH-GOSISDBHSA-N 0 3 381.565 0.957 20 0 GCADHN C[C@@H](CN1CCN(C)CC1)NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000106516944 1189432550 /nfs/dbraw/zinc/43/25/50/1189432550.db2.gz XQTJHEIKWQGPFH-SFHVURJKSA-N 0 3 381.565 0.957 20 0 GCADHN CCOc1ccc(C(=O)NCC(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000041361737 1189435513 /nfs/dbraw/zinc/43/55/13/1189435513.db2.gz TYQSWHCTWYJCHT-UHFFFAOYSA-N 0 3 376.501 0.959 20 0 GCADHN COc1cc(OC)c(OC)cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000378184083 1189438197 /nfs/dbraw/zinc/43/81/97/1189438197.db2.gz LJPYXWMIXNZXNG-STQMWFEESA-N 0 3 393.440 0.630 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 ZINC000651331047 1189438556 /nfs/dbraw/zinc/43/85/56/1189438556.db2.gz NSBZSYWYLCNRIE-PBHICJAKSA-N 0 3 380.464 0.059 20 0 GCADHN CCc1nc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cn1CC1CC1 ZINC000659902580 1189438849 /nfs/dbraw/zinc/43/88/49/1189438849.db2.gz WWWIJTLIPFVBKL-OAHLLOKOSA-N 0 3 397.545 0.721 20 0 GCADHN CN(C)c1nc2cc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)ccc2o1 ZINC000378186049 1189438966 /nfs/dbraw/zinc/43/89/66/1189438966.db2.gz ULHVKRWPSPDULR-ZIAGYGMSSA-N 0 3 387.440 0.812 20 0 GCADHN COCCn1cc(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)nn1 ZINC000416149695 1189444359 /nfs/dbraw/zinc/44/43/59/1189444359.db2.gz HYPHMXJLSANVJP-UHFFFAOYSA-N 0 3 386.500 0.814 20 0 GCADHN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N(C)CCN(C)C ZINC000416170475 1189448292 /nfs/dbraw/zinc/44/82/92/1189448292.db2.gz KNTVIJOPJASPLC-VOAKCMCISA-N 0 3 375.391 0.992 20 0 GCADHN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCN1CCC(O)CC1 ZINC000893179701 1189449613 /nfs/dbraw/zinc/44/96/13/1189449613.db2.gz ZQCRAERJGAMMRL-GOSISDBHSA-N 0 3 389.544 0.953 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC1 ZINC000659915618 1189449701 /nfs/dbraw/zinc/44/97/01/1189449701.db2.gz USZXLALTICZYRA-ROUUACIJSA-N 0 3 391.578 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/nfs/dbraw/zinc/45/77/83/1189457783.db2.gz VFPDNVWVICTNSD-IBGZPJMESA-N 0 3 393.576 0.607 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)CC1 ZINC000041717978 1189457868 /nfs/dbraw/zinc/45/78/68/1189457868.db2.gz VMYHXQHMSQWQCF-UHFFFAOYSA-N 0 3 395.891 0.991 20 0 GCADHN O=C(c1c(F)cccc1F)N1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000378316731 1189475063 /nfs/dbraw/zinc/47/50/63/1189475063.db2.gz KNHYCRDFTAQLOK-MRXNPFEDSA-N 0 3 378.423 0.639 20 0 GCADHN CC(C)O[C@@]1(CS(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)CCOC1 ZINC000659951908 1189482596 /nfs/dbraw/zinc/48/25/96/1189482596.db2.gz OYWXUFLNOUTWDD-SFHVURJKSA-N 0 3 391.578 0.858 20 0 GCADHN C[C@@H](CNC(=O)N1CCC(CN2CCNC2=O)CC1)CN1CCN(C)CC1 ZINC000893236134 1189505410 /nfs/dbraw/zinc/50/54/10/1189505410.db2.gz DURGNKFHRKJOOR-INIZCTEOSA-N 0 3 380.537 0.317 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCO[C@H](c3ccnn3C)C2)CC1 ZINC000893238533 1189507532 /nfs/dbraw/zinc/50/75/32/1189507532.db2.gz NMYIRQZJXSPBPK-WMZOPIPTSA-N 0 3 378.521 0.777 20 0 GCADHN C[C@@H]1CCSCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000660000926 1189518904 /nfs/dbraw/zinc/51/89/04/1189518904.db2.gz JYVHFEVDRZEGAA-OAHLLOKOSA-N 0 3 382.530 0.107 20 0 GCADHN CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(C(=O)N[C@H](C)CN2CCN(C)CC2)C1 ZINC000567929399 1189525269 /nfs/dbraw/zinc/52/52/69/1189525269.db2.gz PIZGFLICSBDYNQ-BMFZPTHFSA-N 0 3 391.520 0.789 20 0 GCADHN CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)N[C@H](C)CN2CCN(C)CC2)C1 ZINC000567929399 1189525272 /nfs/dbraw/zinc/52/52/72/1189525272.db2.gz PIZGFLICSBDYNQ-BMFZPTHFSA-N 0 3 391.520 0.789 20 0 GCADHN CCOC(=O)CCCS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000416575806 1189554408 /nfs/dbraw/zinc/55/44/08/1189554408.db2.gz CBCZBRNFGFBIQG-UHFFFAOYSA-N 0 3 391.534 0.046 20 0 GCADHN CN(C)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000728756419 1189557729 /nfs/dbraw/zinc/55/77/29/1189557729.db2.gz HEVWDGAFUPPDAL-UHFFFAOYSA-N 0 3 387.484 0.458 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000363899333 1189559652 /nfs/dbraw/zinc/55/96/52/1189559652.db2.gz GMSQIRRCCRRBMF-UHFFFAOYSA-N 0 3 394.472 0.242 20 0 GCADHN COC(=O)c1cn([C@H]2CCN(CCOc3ccc(S(N)(=O)=O)cc3)C2)nn1 ZINC000363908370 1189568734 /nfs/dbraw/zinc/56/87/34/1189568734.db2.gz LSGUUQROTIRWBR-LBPRGKRZSA-N 0 3 395.441 0.038 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CNC(=O)NCc3ccco3)C2)CC1 ZINC000363916240 1189572565 /nfs/dbraw/zinc/57/25/65/1189572565.db2.gz ACHJGWNWSDWZTH-MRXNPFEDSA-N 0 3 377.489 0.706 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000660077939 1189576550 /nfs/dbraw/zinc/57/65/50/1189576550.db2.gz LVIOYGLUYHELBG-INIZCTEOSA-N 0 3 380.514 0.027 20 0 GCADHN COC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCO1 ZINC000660080693 1189578319 /nfs/dbraw/zinc/57/83/19/1189578319.db2.gz LKWZEWWZYJYVJO-QZTJIDSGSA-N 0 3 375.469 0.593 20 0 GCADHN C[C@H]1CN(C(C)(C)CNC(=O)NCCCN2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000636513668 1189580576 /nfs/dbraw/zinc/58/05/76/1189580576.db2.gz BJFNGEZZMVISFN-JYJNAYRXSA-N 0 3 383.537 0.513 20 0 GCADHN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000660093023 1189584950 /nfs/dbraw/zinc/58/49/50/1189584950.db2.gz VHAJWZNCPLJVHD-QZTJIDSGSA-N 0 3 387.546 0.638 20 0 GCADHN CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000660121411 1189596439 /nfs/dbraw/zinc/59/64/39/1189596439.db2.gz WAHZCVLEYGWWGQ-QGZVFWFLSA-N 0 3 378.517 0.792 20 0 GCADHN C[C@H](NC(=O)NC[C@@H]1CNCCO1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000417029554 1189609328 /nfs/dbraw/zinc/60/93/28/1189609328.db2.gz NPWQZIUOPSNZHH-GUYCJALGSA-N 0 3 376.457 0.693 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N3C[C@@H](C)OC4(CCC4)C3)C2)CC1 ZINC000584599520 1189610954 /nfs/dbraw/zinc/61/09/54/1189610954.db2.gz ZUPKXAYPJXHNTJ-MSOLQXFVSA-N 0 3 392.544 0.783 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)CNC(=O)c3cc4c(s3)CCCC4)CCN2C1=O ZINC000584666126 1189616331 /nfs/dbraw/zinc/61/63/31/1189616331.db2.gz KXZMNUBZPBDNGT-STQMWFEESA-N 0 3 376.482 0.127 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)CCN2C1=O ZINC000584666132 1189616413 /nfs/dbraw/zinc/61/64/13/1189616413.db2.gz LGPVICZRPKONMK-IRXDYDNUSA-N 0 3 385.468 0.245 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000584711418 1189635901 /nfs/dbraw/zinc/63/59/01/1189635901.db2.gz NTLUPALXGWVFSU-KURKYZTESA-N 0 3 380.533 0.737 20 0 GCADHN O=C(NCc1ccccc1OCCN1CCOCC1)NC[C@H]1CNCCO1 ZINC000417320763 1189646911 /nfs/dbraw/zinc/64/69/11/1189646911.db2.gz RGJDBBXNJZGNJZ-QGZVFWFLSA-N 0 3 378.473 0.185 20 0 GCADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[C@H](N3CCCC3)C1)CCC2 ZINC000584747244 1189650787 /nfs/dbraw/zinc/65/07/87/1189650787.db2.gz RNODLOQVFSYOIL-IRXDYDNUSA-N 0 3 389.500 0.720 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@H](C)O1 ZINC000364092711 1189653173 /nfs/dbraw/zinc/65/31/73/1189653173.db2.gz ZTHOCFFBGOWMRK-KSMMKXTCSA-N 0 3 380.489 0.713 20 0 GCADHN COC(=O)CN1CCN(c2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)CC1 ZINC000364100838 1189656821 /nfs/dbraw/zinc/65/68/21/1189656821.db2.gz WRDXPLIZSAOMGT-UHFFFAOYSA-N 0 3 398.467 0.603 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000584768641 1189657735 /nfs/dbraw/zinc/65/77/35/1189657735.db2.gz QZFNLXJDDHGKFJ-IRXDYDNUSA-N 0 3 382.549 0.933 20 0 GCADHN CCOC(=O)[C@@H](C)[C@@H](C)NCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000364103763 1189657757 /nfs/dbraw/zinc/65/77/57/1189657757.db2.gz RPDPPYCVVIZLCI-NKXNIHSHSA-N 0 3 382.461 0.696 20 0 GCADHN C[C@H]1CN(C(=O)NCCN2CCN(c3ncccn3)CC2)CCN(C2CC2)C1 ZINC000582106788 1189666441 /nfs/dbraw/zinc/66/64/41/1189666441.db2.gz QCFGSXUGWBRDRF-QGZVFWFLSA-N 0 3 387.532 0.724 20 0 GCADHN COC[C@H]1CCCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000364130738 1189670278 /nfs/dbraw/zinc/67/02/78/1189670278.db2.gz XYTXAIWEANRUOX-INIZCTEOSA-N 0 3 383.514 0.741 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)s1 ZINC000584818293 1189680138 /nfs/dbraw/zinc/68/01/38/1189680138.db2.gz UAXWPLIZGHUXIU-KRWDZBQOSA-N 0 3 395.506 0.762 20 0 GCADHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000584849636 1189692026 /nfs/dbraw/zinc/69/20/26/1189692026.db2.gz IOOMKMMSFCEBDQ-CZUORRHYSA-N 0 3 389.374 0.935 20 0 GCADHN C[C@H]1NCCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)[C@H]1C ZINC000417624972 1189693226 /nfs/dbraw/zinc/69/32/26/1189693226.db2.gz OZIYTAUWCKANLP-KGLIPLIRSA-N 0 3 384.502 0.191 20 0 GCADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)c1 ZINC000417749513 1189701842 /nfs/dbraw/zinc/70/18/42/1189701842.db2.gz VGMKGVZVXWTLEY-KGLIPLIRSA-N 0 3 384.502 0.503 20 0 GCADHN O=C([C@H]1CCCCC[NH2+]1)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000364236317 1189719364 /nfs/dbraw/zinc/71/93/64/1189719364.db2.gz LCNZHAKXVFXMCC-OAHLLOKOSA-N 0 3 391.497 0.928 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCCCC1 ZINC000364252305 1189722690 /nfs/dbraw/zinc/72/26/90/1189722690.db2.gz VLILURAKYDATJY-WBVHZDCISA-N 0 3 399.557 0.745 20 0 GCADHN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000616519209 1189723072 /nfs/dbraw/zinc/72/30/72/1189723072.db2.gz IPDTWEJLHFILDK-NVXWUHKLSA-N 0 3 377.489 0.603 20 0 GCADHN CC(=O)N[C@]1(c2nc(C)cs2)CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000617597544 1189741253 /nfs/dbraw/zinc/74/12/53/1189741253.db2.gz INORNVOYKSZOJZ-CRAIPNDOSA-N 0 3 377.514 0.405 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000660366884 1189743848 /nfs/dbraw/zinc/74/38/48/1189743848.db2.gz ZDXRYYUERDSFFB-KRWDZBQOSA-N 0 3 390.484 0.864 20 0 GCADHN Cn1ccnc(N2CCC[C@@H](NC(=O)NC[C@@H]3NCCc4ccccc43)C2)c1=O ZINC000581180769 1189762294 /nfs/dbraw/zinc/76/22/94/1189762294.db2.gz IDPCQKFFOBEWRM-AEFFLSMTSA-N 0 3 396.495 0.935 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000046879793 1189769223 /nfs/dbraw/zinc/76/92/23/1189769223.db2.gz CLQYNNAZCFKDAB-AWEZNQCLSA-N 0 3 385.486 0.762 20 0 GCADHN CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001111521308 1189776844 /nfs/dbraw/zinc/77/68/44/1189776844.db2.gz TVPJRZOFWOMZMP-TWMKSMIVSA-N 0 3 378.517 0.868 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000509727078 1189779171 /nfs/dbraw/zinc/77/91/71/1189779171.db2.gz YCOYNXZAXLKTNW-QGZVFWFLSA-N 0 3 381.448 0.810 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000509727073 1189780488 /nfs/dbraw/zinc/78/04/88/1189780488.db2.gz YCOYNXZAXLKTNW-KRWDZBQOSA-N 0 3 381.448 0.810 20 0 GCADHN CO[C@H](C)c1noc(CCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000487337048 1189787312 /nfs/dbraw/zinc/78/73/12/1189787312.db2.gz UBXVYWDVDQIQSG-CQSZACIVSA-N 0 3 379.461 0.476 20 0 GCADHN O=C(CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)NCCN1CCCCC1 ZINC000909326387 1189793201 /nfs/dbraw/zinc/79/32/01/1189793201.db2.gz PGNIZDIXSBMPNZ-INIZCTEOSA-N 0 3 387.484 0.148 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)CCC(=O)N3CCOCC3)CC2)C[C@H](C)O1 ZINC000364416965 1189794024 /nfs/dbraw/zinc/79/40/24/1189794024.db2.gz HFMOOOWVLMEATB-IRXDYDNUSA-N 0 3 381.517 0.973 20 0 GCADHN COc1ccc2c(c1)C[C@H](C(=O)NCC(=O)NCCN1CCCCC1)CO2 ZINC000909328247 1189796515 /nfs/dbraw/zinc/79/65/15/1189796515.db2.gz GIIMZHKMNDEOKZ-INIZCTEOSA-N 0 3 375.469 0.965 20 0 GCADHN CCOc1ccc(C(=O)NCC(=O)NCC(=O)NCCN2CCCCC2)cc1 ZINC000909328483 1189797664 /nfs/dbraw/zinc/79/76/64/1189797664.db2.gz LTLRVCRSMOUSOK-UHFFFAOYSA-N 0 3 390.484 0.533 20 0 GCADHN O=C(CNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)NCCN1CCCCC1 ZINC000909328306 1189797774 /nfs/dbraw/zinc/79/77/74/1189797774.db2.gz IMCTXMCSUNCMQY-VXGBXAGGSA-N 0 3 378.395 0.162 20 0 GCADHN C[C@@H]1Oc2ccccc2N(CC(=O)NCC(=O)NCCN2CCCCC2)C1=O ZINC000909328588 1189798060 /nfs/dbraw/zinc/79/80/60/1189798060.db2.gz ZABDGCYOIGAMKJ-HNNXBMFYSA-N 0 3 388.468 0.519 20 0 GCADHN COc1cc(CC(=O)NCC(=O)NCCN2CCCCC2)cc(OC)c1OC ZINC000909329164 1189799755 /nfs/dbraw/zinc/79/97/55/1189799755.db2.gz WYYIUESWSKYULG-UHFFFAOYSA-N 0 3 393.484 0.973 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644805225 1189801480 /nfs/dbraw/zinc/80/14/80/1189801480.db2.gz VZPDYKRHOYXOEY-SLFFLAALSA-N 0 3 398.507 0.846 20 0 GCADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N[C@@H]1COCC[C@H]1O ZINC000636561399 1189812507 /nfs/dbraw/zinc/81/25/07/1189812507.db2.gz RYNXMDRQDQIKRC-RTBURBONSA-N 0 3 376.501 0.643 20 0 GCADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@H](NC(C)=O)C(N)=O)cc1 ZINC000500405287 1189815986 /nfs/dbraw/zinc/81/59/86/1189815986.db2.gz GEWPSCGUPAFBDS-DLBZAZTESA-N 0 3 376.457 0.328 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccc3c2oc(=O)n3C)CC1 ZINC000511682737 1189833033 /nfs/dbraw/zinc/83/30/33/1189833033.db2.gz SRYVEVZVGMLFMJ-UHFFFAOYSA-N 0 3 376.413 0.297 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc2c1oc(=O)n2C)CN1CCN(C)CC1 ZINC000511692181 1189833738 /nfs/dbraw/zinc/83/37/38/1189833738.db2.gz ONVNLBFNPZGDIE-ZDUSSCGKSA-N 0 3 389.456 0.070 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)C1 ZINC000660470749 1189843810 /nfs/dbraw/zinc/84/38/10/1189843810.db2.gz ZCCFAFWHMZXRHZ-ROUUACIJSA-N 0 3 386.496 0.833 20 0 GCADHN CN(C(=O)c1cccc2cn[nH]c21)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000106041357 1189843920 /nfs/dbraw/zinc/84/39/20/1189843920.db2.gz YEZFLLRWMCGYCD-UHFFFAOYSA-N 0 3 398.511 0.873 20 0 GCADHN CN(C(=O)c1cccc2c[nH]nc21)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000106041357 1189843930 /nfs/dbraw/zinc/84/39/30/1189843930.db2.gz YEZFLLRWMCGYCD-UHFFFAOYSA-N 0 3 398.511 0.873 20 0 GCADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000660470724 1189844068 /nfs/dbraw/zinc/84/40/68/1189844068.db2.gz YRELSITUHCDICA-DYESRHJHSA-N 0 3 386.496 0.704 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000660470729 1189844366 /nfs/dbraw/zinc/84/43/66/1189844366.db2.gz YRELSITUHCDICA-UTKZUKDTSA-N 0 3 386.496 0.704 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)C[C@H](C(F)(F)F)O1 ZINC000660477729 1189847961 /nfs/dbraw/zinc/84/79/61/1189847961.db2.gz IFGMUAQJQFATPG-ZIAGYGMSSA-N 0 3 394.438 0.261 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)N[C@@H]3COC[C@@H]3O)CC2)c1 ZINC000636568460 1189861946 /nfs/dbraw/zinc/86/19/46/1189861946.db2.gz HQKQWJIZRUIVAO-MOPGFXCFSA-N 0 3 376.501 0.956 20 0 GCADHN C[C@H](CNC(=O)NCCN1CC[C@@H](O)C1)N1CCN(c2ccccc2)CC1 ZINC000636567036 1189862863 /nfs/dbraw/zinc/86/28/63/1189862863.db2.gz UIPBCYRWPLVSAN-IEBWSBKVSA-N 0 3 375.517 0.563 20 0 GCADHN C[C@@H]1CN(C(=O)NCc2ccc(CC(N)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000643168480 1189881025 /nfs/dbraw/zinc/88/10/25/1189881025.db2.gz VPLRMZUBRVJGEG-APWZRJJASA-N 0 3 387.528 0.882 20 0 GCADHN CCN(CC(=O)NCc1cccs1)C(=O)CNC1(COC)CCOCC1 ZINC000660632552 1189918254 /nfs/dbraw/zinc/91/82/54/1189918254.db2.gz YUWHREFCNHRARX-UHFFFAOYSA-N 0 3 383.514 0.998 20 0 GCADHN COCC1(NCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)CCOCC1 ZINC000660634230 1189919122 /nfs/dbraw/zinc/91/91/22/1189919122.db2.gz JQADCWKMNBYLGV-AWEZNQCLSA-N 0 3 381.448 0.904 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)[C@@H]3C2)C1 ZINC000975211806 1189926851 /nfs/dbraw/zinc/92/68/51/1189926851.db2.gz SXOIFQDQCCFOPD-QBPKDAKJSA-N 0 3 390.528 0.692 20 0 GCADHN C[C@H]1CN(CCN(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 ZINC000660670048 1189930867 /nfs/dbraw/zinc/93/08/67/1189930867.db2.gz DJCFEVSEINSTLM-HOTGVXAUSA-N 0 3 384.546 0.811 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC000660706000 1189938048 /nfs/dbraw/zinc/93/80/48/1189938048.db2.gz ZFQBJBUOQXTAOC-GJZGRUSLSA-N 0 3 376.457 0.820 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccnc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000642349384 1189942456 /nfs/dbraw/zinc/94/24/56/1189942456.db2.gz NEMDBTKGOWXAGP-INIZCTEOSA-N 0 3 396.513 0.463 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CN4CCCC4)C[C@@H]32)O1 ZINC000975717194 1189966919 /nfs/dbraw/zinc/96/69/19/1189966919.db2.gz HEMJBOKDQQDUOH-VSZNYVQBSA-N 0 3 378.517 0.251 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H](O)C2CC2)c1 ZINC000660944819 1189969761 /nfs/dbraw/zinc/96/97/61/1189969761.db2.gz AASLXFMOGDFIBB-GOSISDBHSA-N 0 3 377.485 0.815 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)CN(C)C4CCC4)C[C@@H]32)C1 ZINC000975764667 1189972800 /nfs/dbraw/zinc/97/28/00/1189972800.db2.gz BQZMQUVRRVBFQW-ATLSCFEFSA-N 0 3 390.528 0.835 20 0 GCADHN Cn1ccc(N2CCC[C@@H](NC(=O)NC3CCN([C@@H]4CCOC4)CC3)C2=O)n1 ZINC000661010329 1189980944 /nfs/dbraw/zinc/98/09/44/1189980944.db2.gz ULZNRNNURRXZLT-HZPDHXFCSA-N 0 3 390.488 0.468 20 0 GCADHN CS(=O)(=O)NC1CC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000661135114 1189995232 /nfs/dbraw/zinc/99/52/32/1189995232.db2.gz ZTQVQAWMGDEUCY-UHFFFAOYSA-N 0 3 395.529 0.673 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C1 ZINC000976037370 1190003820 /nfs/dbraw/zinc/00/38/20/1190003820.db2.gz XHWZKJHOFWAUAO-RANZSIQMSA-N 0 3 390.528 0.644 20 0 GCADHN C[C@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CC[C@H]1N1CCN(C)CC1 ZINC001671255614 1190004516 /nfs/dbraw/zinc/00/45/16/1190004516.db2.gz IDURAQSARNFFES-DOTOQJQBSA-N 0 3 386.562 0.479 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)n1 ZINC000662750702 1190017205 /nfs/dbraw/zinc/01/72/05/1190017205.db2.gz DLUGEHYYOVSANT-UHFFFAOYSA-N 0 3 391.453 0.259 20 0 GCADHN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662751480 1190017704 /nfs/dbraw/zinc/01/77/04/1190017704.db2.gz UGSRTFKJHBRAOF-JTQLQIEISA-N 0 3 382.417 0.506 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)n1 ZINC000662749622 1190018114 /nfs/dbraw/zinc/01/81/14/1190018114.db2.gz KFKHZUHASSWPKQ-ZDUSSCGKSA-N 0 3 375.816 0.964 20 0 GCADHN CCCS(=O)(=O)Nc1cccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000662753556 1190018780 /nfs/dbraw/zinc/01/87/80/1190018780.db2.gz TWJXYOKAIAYYHB-UHFFFAOYSA-N 0 3 379.442 0.723 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)n1 ZINC000662753452 1190019086 /nfs/dbraw/zinc/01/90/86/1190019086.db2.gz ZFZSEHNLTQMUNJ-CYBMUJFWSA-N 0 3 375.816 0.964 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662753248 1190019216 /nfs/dbraw/zinc/01/92/16/1190019216.db2.gz QRMLQYQDNDKAAN-UHFFFAOYSA-N 0 3 379.442 0.258 20 0 GCADHN CC(C)Cn1nc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c2ccccc2c1=O ZINC000662754569 1190020536 /nfs/dbraw/zinc/02/05/36/1190020536.db2.gz QVGNFOVPVPPHEP-UHFFFAOYSA-N 0 3 382.424 0.937 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000661237278 1190020606 /nfs/dbraw/zinc/02/06/06/1190020606.db2.gz AIHWNJFMCSOOJB-XHSDSOJGSA-N 0 3 377.489 0.134 20 0 GCADHN CS(=O)(=O)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000893444330 1190023884 /nfs/dbraw/zinc/02/38/84/1190023884.db2.gz PMCCQUXPIHDTCJ-MSOLQXFVSA-N 0 3 395.525 0.972 20 0 GCADHN O=C(Cn1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cn1)NC1CCCCC1 ZINC000647709305 1190033526 /nfs/dbraw/zinc/03/35/26/1190033526.db2.gz UVJWPJFYGPGVPO-QZTJIDSGSA-N 0 3 389.500 0.613 20 0 GCADHN Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@H](CO)CN(C)C ZINC000647710093 1190041196 /nfs/dbraw/zinc/04/11/96/1190041196.db2.gz LRHNNAGPSOTYCW-GFCCVEGCSA-N 0 3 379.486 0.481 20 0 GCADHN COc1ccc(C(=O)CNC(=O)CCC(=O)Nc2nn(C)c(C)c2CN)cc1 ZINC000662841307 1190048681 /nfs/dbraw/zinc/04/86/81/1190048681.db2.gz ILZZKBZSHVATNT-UHFFFAOYSA-N 0 3 387.440 0.914 20 0 GCADHN C[C@@H]1c2nncn2CCN1C(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000661462701 1190053975 /nfs/dbraw/zinc/05/39/75/1190053975.db2.gz INMGULPIYCKWFR-NVXWUHKLSA-N 0 3 382.468 0.914 20 0 GCADHN C[C@H]1CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CCO ZINC000661492507 1190059669 /nfs/dbraw/zinc/05/96/69/1190059669.db2.gz KSQUQAHWEWUXFM-WMLDXEAASA-N 0 3 383.514 0.476 20 0 GCADHN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595242035 1190068792 /nfs/dbraw/zinc/06/87/92/1190068792.db2.gz LCZDAWQKTYPQIN-NEPJUHHUSA-N 0 3 384.358 0.723 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000663894541 1193720294 /nfs/dbraw/zinc/72/02/94/1193720294.db2.gz XJTKQVAUJRFPGS-UHFFFAOYSA-N 0 3 398.529 0.393 20 0 GCADHN Cn1ncc2c1CCC[C@H]2NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000512642950 1193724606 /nfs/dbraw/zinc/72/46/06/1193724606.db2.gz UNJARNYOWITIPA-QGZVFWFLSA-N 0 3 378.521 0.487 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000512646619 1193726369 /nfs/dbraw/zinc/72/63/69/1193726369.db2.gz BTJFYFIKRPLIIZ-GOSISDBHSA-N 0 3 376.501 0.679 20 0 GCADHN COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433001227 1193727220 /nfs/dbraw/zinc/72/72/20/1193727220.db2.gz RNQWFSRWXRZDGQ-UHFFFAOYSA-N 0 3 399.513 0.244 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000663914964 1193728374 /nfs/dbraw/zinc/72/83/74/1193728374.db2.gz CIKIYZIKBRAOCQ-HZPDHXFCSA-N 0 3 395.548 0.875 20 0 GCADHN CCn1nncc1CNCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCC1 ZINC001481901888 1193729737 /nfs/dbraw/zinc/72/97/37/1193729737.db2.gz ORETWRBKDBMHPB-BHYGNILZSA-N 0 3 377.489 0.868 20 0 GCADHN COc1cccc([C@H](CNC(=O)NCCN2CCNC(=O)C2)N2CCCC2)c1 ZINC000512695984 1193734739 /nfs/dbraw/zinc/73/47/39/1193734739.db2.gz XMPXNYRJXNYYRF-SFHVURJKSA-N 0 3 389.500 0.563 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1CN(C)C2=O ZINC000411209783 1193736688 /nfs/dbraw/zinc/73/66/88/1193736688.db2.gz UGYXOOXXRBXYDJ-CQSZACIVSA-N 0 3 388.468 0.780 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000509772828 1193740302 /nfs/dbraw/zinc/74/03/02/1193740302.db2.gz RWIOYYLGVQHPJI-LBPRGKRZSA-N 0 3 382.486 0.009 20 0 GCADHN CCNC(=O)NC(=O)CNC[C@](C)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001481936212 1193745024 /nfs/dbraw/zinc/74/50/24/1193745024.db2.gz NMVIHDLWMPNXKO-UGUAGBFESA-N 0 3 378.473 0.130 20 0 GCADHN CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc(OC)cc1OC ZINC000512760562 1193753469 /nfs/dbraw/zinc/75/34/69/1193753469.db2.gz OLSOQWKFDGVFGZ-LLVKDONJSA-N 0 3 381.429 0.885 20 0 GCADHN CC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c2ccccc21 ZINC000419244175 1193758771 /nfs/dbraw/zinc/75/87/71/1193758771.db2.gz JWIWPNKBEOZPMG-VBNZEHGJSA-N 0 3 388.468 0.830 20 0 GCADHN O=C(NCc1ccnc(OCc2ccccc2)c1)C(=O)NC[C@H]1CNCCO1 ZINC000419254299 1193770629 /nfs/dbraw/zinc/77/06/29/1193770629.db2.gz ALATWKKJBBJWPY-QGZVFWFLSA-N 0 3 384.436 0.381 20 0 GCADHN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC(CN2CCOCC2)CC1 ZINC000051957738 1193772711 /nfs/dbraw/zinc/77/27/11/1193772711.db2.gz KVNQVVRQKGMOPZ-NVXWUHKLSA-N 0 3 387.546 0.065 20 0 GCADHN O=C(CN1CCC(CN2CCOCC2)CC1)NCCCN1CCCCCC1=O ZINC000051960063 1193773487 /nfs/dbraw/zinc/77/34/87/1193773487.db2.gz ZATISOQTEXFDKI-UHFFFAOYSA-N 0 3 394.560 0.940 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000473478981 1193773975 /nfs/dbraw/zinc/77/39/75/1193773975.db2.gz AHAIVIABEOHLHJ-HNNXBMFYSA-N 0 3 389.500 0.517 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000512831097 1193781630 /nfs/dbraw/zinc/78/16/30/1193781630.db2.gz FDVNSHJRHBGPNR-UHFFFAOYSA-N 0 3 391.516 0.948 20 0 GCADHN COc1ccc(CNC(=O)C2CCN(C(=O)C[C@H]3CNCCO3)CC2)cc1 ZINC000429890300 1193784410 /nfs/dbraw/zinc/78/44/10/1193784410.db2.gz KCEBPAFFQDZLBT-SFHVURJKSA-N 0 3 375.469 0.929 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCc2ccc(O)cc2C1 ZINC000512840956 1193785582 /nfs/dbraw/zinc/78/55/82/1193785582.db2.gz YHNXHONNRSPVCV-UHFFFAOYSA-N 0 3 376.501 0.850 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN[C@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419283842 1193786125 /nfs/dbraw/zinc/78/61/25/1193786125.db2.gz NQZKZLIIECIHEM-HUUCEWRRSA-N 0 3 391.491 0.575 20 0 GCADHN CS(=O)(=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000512838444 1193786147 /nfs/dbraw/zinc/78/61/47/1193786147.db2.gz NHNMADJGOOXNQF-UHFFFAOYSA-N 0 3 398.529 0.602 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000509832756 1193790395 /nfs/dbraw/zinc/79/03/95/1193790395.db2.gz FRISZSNGJVEDLD-ZDUSSCGKSA-N 0 3 375.473 0.393 20 0 GCADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000473486526 1193794031 /nfs/dbraw/zinc/79/40/31/1193794031.db2.gz GSUBJZQGBJJZAF-CYBMUJFWSA-N 0 3 394.447 0.693 20 0 GCADHN COCCNc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419301381 1193794557 /nfs/dbraw/zinc/79/45/57/1193794557.db2.gz NSORCXCMGWAFGT-CJNGLKHVSA-N 0 3 378.473 0.590 20 0 GCADHN CCN1CCC[C@@H](CN(C)C(=O)c2nccnc2C(N)=O)[C@@H]1c1cnn(C)c1 ZINC000433269758 1193796012 /nfs/dbraw/zinc/79/60/12/1193796012.db2.gz BMAPNULXJVQTMM-SUMWQHHRSA-N 0 3 385.472 0.854 20 0 GCADHN CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@@](C(N)=O)(c3ccccc3)C2)C1 ZINC000411966921 1193797687 /nfs/dbraw/zinc/79/76/87/1193797687.db2.gz MJQUPOVQVOQNGW-KKSFZXQISA-N 0 3 387.480 0.917 20 0 GCADHN Cc1noc(C2CCC(NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@@H]3C)CC2)n1 ZINC000419309194 1193801301 /nfs/dbraw/zinc/80/13/01/1193801301.db2.gz BSJWTILHPKIZHF-OFVDZJKFSA-N 0 3 379.461 0.750 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000576182284 1193801373 /nfs/dbraw/zinc/80/13/73/1193801373.db2.gz DFBNUARUXSPBFI-OAHLLOKOSA-N 0 3 392.500 0.874 20 0 GCADHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000614333266 1193808131 /nfs/dbraw/zinc/80/81/31/1193808131.db2.gz CBWKVFQXDHUODF-HNNXBMFYSA-N 0 3 398.529 0.602 20 0 GCADHN COC(=O)c1ccccc1NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000512988091 1193817766 /nfs/dbraw/zinc/81/77/66/1193817766.db2.gz UFRZTOFNRQZLSI-AWEZNQCLSA-N 0 3 377.441 0.981 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000473490624 1193827334 /nfs/dbraw/zinc/82/73/34/1193827334.db2.gz NIMGXPLWXUPCBR-INIZCTEOSA-N 0 3 399.499 0.407 20 0 GCADHN CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000473489109 1193828629 /nfs/dbraw/zinc/82/86/29/1193828629.db2.gz HSJGLZXUYONHSC-CYBMUJFWSA-N 0 3 393.463 0.865 20 0 GCADHN CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000473489110 1193828686 /nfs/dbraw/zinc/82/86/86/1193828686.db2.gz HSJGLZXUYONHSC-ZDUSSCGKSA-N 0 3 393.463 0.865 20 0 GCADHN CN1C(=O)Cc2cc(NC(=O)NCCCCN3CCN(CCO)CC3)ccc21 ZINC000433424168 1193830868 /nfs/dbraw/zinc/83/08/68/1193830868.db2.gz XKQIOKVBFQTOEI-UHFFFAOYSA-N 0 3 389.500 0.717 20 0 GCADHN C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)[C@@H](C)CN1 ZINC000333192296 1193839443 /nfs/dbraw/zinc/83/94/43/1193839443.db2.gz VIVVAJGXMYVQFC-GJZGRUSLSA-N 0 3 395.529 0.837 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000664126408 1193856543 /nfs/dbraw/zinc/85/65/43/1193856543.db2.gz MEUYNIKCHDWMKQ-QGZVFWFLSA-N 0 3 395.529 0.442 20 0 GCADHN Cc1nnc2n1C[C@@H](C(=O)N1CC3(CCCC3)OC[C@@H]1CN(C)C)N(C)C2 ZINC000620918362 1193860713 /nfs/dbraw/zinc/86/07/13/1193860713.db2.gz VIWORTFNQRDCSS-HOTGVXAUSA-N 0 3 376.505 0.502 20 0 GCADHN Cc1c(Cl)cccc1NC(=O)CCNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419363827 1193864916 /nfs/dbraw/zinc/86/49/16/1193864916.db2.gz VUTXRUVJGUCRAS-GFCCVEGCSA-N 0 3 382.848 0.198 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000263279247 1193865037 /nfs/dbraw/zinc/86/50/37/1193865037.db2.gz ZKRDHYKLPXYKFV-WMZOPIPTSA-N 0 3 396.919 0.929 20 0 GCADHN COC(=O)CNC(=O)[C@@H]1CCCN1CCCN1CCN(c2ccccc2)CC1 ZINC000419361955 1193865368 /nfs/dbraw/zinc/86/53/68/1193865368.db2.gz TURWTANGHMWPIH-IBGZPJMESA-N 0 3 388.512 0.952 20 0 GCADHN Cc1cc(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)on1 ZINC000513082482 1193867244 /nfs/dbraw/zinc/86/72/44/1193867244.db2.gz WLHXYBKMVZEYQL-KRWDZBQOSA-N 0 3 394.497 0.692 20 0 GCADHN COc1cccc(OCCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419376124 1193879140 /nfs/dbraw/zinc/87/91/40/1193879140.db2.gz RPMXEEZNOQVFAS-XJKSGUPXSA-N 0 3 379.457 0.810 20 0 GCADHN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN([C@H]3C[C@H]4C[C@H]4C3)C[C@H]21 ZINC001167927699 1193881762 /nfs/dbraw/zinc/88/17/62/1193881762.db2.gz NADNEWPJGXOXKI-YRVYGCIDSA-N 0 3 390.509 0.808 20 0 GCADHN COC(=O)c1c(F)cccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000513153521 1193902020 /nfs/dbraw/zinc/90/20/20/1193902020.db2.gz HUNVJRLBVXBFLR-CYBMUJFWSA-N 0 3 394.447 0.551 20 0 GCADHN CN(CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000729231513 1193908604 /nfs/dbraw/zinc/90/86/04/1193908604.db2.gz XOQKJTBBPMZVAR-UHFFFAOYSA-N 0 3 397.520 0.803 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000729266135 1193910557 /nfs/dbraw/zinc/91/05/57/1193910557.db2.gz WSRYTYARJGMNHU-NZSAHSFTSA-N 0 3 378.469 0.744 20 0 GCADHN CC(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000052875112 1193912532 /nfs/dbraw/zinc/91/25/32/1193912532.db2.gz TVGVDCLJUFBZRU-UHFFFAOYSA-N 0 3 397.526 0.864 20 0 GCADHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000614442334 1193914148 /nfs/dbraw/zinc/91/41/48/1193914148.db2.gz FRDNRZAPJUUVSQ-QGZVFWFLSA-N 0 3 382.549 0.480 20 0 GCADHN Cn1cnn(CCC(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)c1=O ZINC000614442872 1193914723 /nfs/dbraw/zinc/91/47/23/1193914723.db2.gz JMUBLBPXQIGNKL-INIZCTEOSA-N 0 3 381.521 0.692 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000261640649 1193922069 /nfs/dbraw/zinc/92/20/69/1193922069.db2.gz CDHPUXXRIQKAOD-LJQANCHMSA-N 0 3 382.512 0.954 20 0 GCADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H](N)C3CCOCC3)C2=O)c1 ZINC000261815830 1193927457 /nfs/dbraw/zinc/92/74/57/1193927457.db2.gz PBMQJKUAMGNPEV-IAGOWNOFSA-N 0 3 377.441 0.679 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000261826656 1193928198 /nfs/dbraw/zinc/92/81/98/1193928198.db2.gz YPLRHCMUCJMESU-LJQANCHMSA-N 0 3 382.512 0.954 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000261972361 1193933683 /nfs/dbraw/zinc/93/36/83/1193933683.db2.gz BLUFBZISCHEVPL-KRWDZBQOSA-N 0 3 394.541 0.745 20 0 GCADHN Cc1c(NC(=O)CNC(=O)[C@@H](N)C(C)C)cccc1C(=O)N1CCOCC1 ZINC000261978808 1193934220 /nfs/dbraw/zinc/93/42/20/1193934220.db2.gz BXFWPCRUXFQLNO-KRWDZBQOSA-N 0 3 376.457 0.505 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)nn1 ZINC000433696268 1193935464 /nfs/dbraw/zinc/93/54/64/1193935464.db2.gz JVKSGVVEWCEBLS-UHFFFAOYSA-N 0 3 378.433 0.626 20 0 GCADHN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262014583 1193935830 /nfs/dbraw/zinc/93/58/30/1193935830.db2.gz FSKXNEIJGRJWBL-INIZCTEOSA-N 0 3 398.485 0.174 20 0 GCADHN CN(C)c1nc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)cc(=O)[n-]1 ZINC000433699138 1193936130 /nfs/dbraw/zinc/93/61/30/1193936130.db2.gz KVKFTMXRFYKURY-CYBMUJFWSA-N 0 3 375.429 0.802 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000262066362 1193937937 /nfs/dbraw/zinc/93/79/37/1193937937.db2.gz JPNIHZDUQHVSFO-INIZCTEOSA-N 0 3 398.866 0.863 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000262146644 1193940435 /nfs/dbraw/zinc/94/04/35/1193940435.db2.gz OXYRZSCAQNWFON-KRWDZBQOSA-N 0 3 396.513 0.187 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000262228207 1193942528 /nfs/dbraw/zinc/94/25/28/1193942528.db2.gz VDLUGEHQSAHRAN-INIZCTEOSA-N 0 3 399.517 0.041 20 0 GCADHN Cc1cc(C)n2nc(CC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)nc2n1 ZINC000513432823 1193950467 /nfs/dbraw/zinc/95/04/67/1193950467.db2.gz CGHSQRKCBHRGMB-OAHLLOKOSA-N 0 3 387.488 0.343 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000513441146 1193952104 /nfs/dbraw/zinc/95/21/04/1193952104.db2.gz WPVXZGWCBTWPAQ-WBVHZDCISA-N 0 3 378.517 0.836 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000513441143 1193952247 /nfs/dbraw/zinc/95/22/47/1193952247.db2.gz WPVXZGWCBTWPAQ-DOTOQJQBSA-N 0 3 378.517 0.836 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000513443535 1193952635 /nfs/dbraw/zinc/95/26/35/1193952635.db2.gz IKDUNGSTSWCQDZ-DLBZAZTESA-N 0 3 378.517 0.694 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2c(C)nn(COC)c2C)CC1 ZINC000433877529 1193956075 /nfs/dbraw/zinc/95/60/75/1193956075.db2.gz CHKAOCYEPPYNLH-AWEZNQCLSA-N 0 3 387.550 0.656 20 0 GCADHN CSc1nnc(CCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n1CC(C)C ZINC000664200330 1193957187 /nfs/dbraw/zinc/95/71/87/1193957187.db2.gz NHLQATXTPWANIJ-KBPBESRZSA-N 0 3 384.550 0.905 20 0 GCADHN O=C(NCCNS(=O)(=O)Cc1ccon1)NC[C@@H]1CCCCN1C1CC1 ZINC000433906288 1193958849 /nfs/dbraw/zinc/95/88/49/1193958849.db2.gz ZNEPKYVNELWLFB-HNNXBMFYSA-N 0 3 385.490 0.410 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)CCN1CCN(c2ccccc2)CC1 ZINC000263073850 1193961644 /nfs/dbraw/zinc/96/16/44/1193961644.db2.gz CBYPUNQLZIFHLJ-IBGZPJMESA-N 0 3 375.517 0.367 20 0 GCADHN Cc1ccc([C@H](CNC(=O)CNC(=O)[C@@H](N)C(C)C)N2CCOCC2)cc1 ZINC000263118374 1193962381 /nfs/dbraw/zinc/96/23/81/1193962381.db2.gz GHFYQGYCJLKFQF-HKUYNNGSSA-N 0 3 376.501 0.584 20 0 GCADHN CC[C@@H]1CN(Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CCN1C[C@H](C)O ZINC000513611726 1193966589 /nfs/dbraw/zinc/96/65/89/1193966589.db2.gz OBNAOQLIEIJGBT-CGTJXYLNSA-N 0 3 384.546 0.694 20 0 GCADHN CC[C@@H]1CN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CCN1C[C@H](C)O ZINC000513611727 1193966759 /nfs/dbraw/zinc/96/67/59/1193966759.db2.gz OBNAOQLIEIJGBT-JQHSSLGASA-N 0 3 384.546 0.694 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccccc1S(N)(=O)=O ZINC000513680598 1193971044 /nfs/dbraw/zinc/97/10/44/1193971044.db2.gz QPFBGKKBLUOCMK-HNNXBMFYSA-N 0 3 384.502 0.586 20 0 GCADHN C[C@@H](CNCC(=O)NCc1ccccc1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268696354 1193973645 /nfs/dbraw/zinc/97/36/45/1193973645.db2.gz KVMDIAZRIXAVFI-PCODUJHASA-N 0 3 375.469 0.449 20 0 GCADHN Cn1cc(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1C(N)=O ZINC000280139106 1193976994 /nfs/dbraw/zinc/97/69/94/1193976994.db2.gz BRADMPNJXABGTJ-IYBDPMFKSA-N 0 3 388.493 0.877 20 0 GCADHN COC(=O)c1[nH]c2ccccc2c1CNCCN1CCN(S(C)(=O)=O)CC1 ZINC000894238573 1193978057 /nfs/dbraw/zinc/97/80/57/1193978057.db2.gz UAWRVGPJOLRCEQ-UHFFFAOYSA-N 0 3 394.497 0.621 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@](C)(O)CC1 ZINC000280178674 1193979309 /nfs/dbraw/zinc/97/93/09/1193979309.db2.gz SUGDGHBFQFZZOB-KBXCAEBGSA-N 0 3 383.514 0.618 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(OC)cc(-n2cccn2)c1 ZINC000280266485 1193982592 /nfs/dbraw/zinc/98/25/92/1193982592.db2.gz KACKJQNVHBUMSK-UHFFFAOYSA-N 0 3 389.456 0.904 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N(CCOC)CCN(C)C)c(C)c1 ZINC000280282096 1193983416 /nfs/dbraw/zinc/98/34/16/1193983416.db2.gz HHLABSACSKGJNJ-UHFFFAOYSA-N 0 3 394.472 0.095 20 0 GCADHN NC(=O)[C@H]1CC[C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)O1 ZINC000280329375 1193987988 /nfs/dbraw/zinc/98/79/88/1193987988.db2.gz ZTUSLSVPAUYVGA-SJORKVTESA-N 0 3 379.432 0.818 20 0 GCADHN CC(C)c1nn(C)cc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000280409684 1193993278 /nfs/dbraw/zinc/99/32/78/1193993278.db2.gz RZDHHJNCXVPNJF-HNNXBMFYSA-N 0 3 392.504 0.541 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 ZINC000280420198 1193994327 /nfs/dbraw/zinc/99/43/27/1193994327.db2.gz SSWVLNIBAIGWPG-UHFFFAOYSA-N 0 3 394.472 0.596 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000647883861 1193994762 /nfs/dbraw/zinc/99/47/62/1193994762.db2.gz DBLZNYKRSZLHJB-INIZCTEOSA-N 0 3 382.486 0.509 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@@](C)(C(N)=O)C3)c2)CC1 ZINC000280573495 1194006833 /nfs/dbraw/zinc/00/68/33/1194006833.db2.gz XXBANLPDFUPPJR-HXUWFJFHSA-N 0 3 387.484 0.491 20 0 GCADHN OCCN1CCN(CCCCNc2cc(N3CCCC[C@H]3CO)ncn2)CC1 ZINC000434105491 1194014731 /nfs/dbraw/zinc/01/47/31/1194014731.db2.gz ZRNZDHRLBYNDLK-SFHVURJKSA-N 0 3 392.548 0.630 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000419406806 1194021748 /nfs/dbraw/zinc/02/17/48/1194021748.db2.gz JIDFFAXYQRAZFQ-APHBMKBZSA-N 0 3 380.464 0.774 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC000419418786 1194022991 /nfs/dbraw/zinc/02/29/91/1194022991.db2.gz RADKYHCCJAGGRP-OAGGEKHMSA-N 0 3 376.457 0.075 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)N[C@H](C)CN2CCOCC2)cc1 ZINC000419427925 1194027401 /nfs/dbraw/zinc/02/74/01/1194027401.db2.gz HTHGQURWZSQRKZ-CRAIPNDOSA-N 0 3 376.501 0.763 20 0 GCADHN CCCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419426927 1194027539 /nfs/dbraw/zinc/02/75/39/1194027539.db2.gz GLXCUVZZUMBACI-XJKSGUPXSA-N 0 3 390.484 0.672 20 0 GCADHN COc1cc([C@@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)ccc1OC(C)C ZINC000419427061 1194027549 /nfs/dbraw/zinc/02/75/49/1194027549.db2.gz OBDRFMVPJFSHIZ-HIFRSBDPSA-N 0 3 379.457 0.764 20 0 GCADHN Cc1cc(C[C@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)n(-c2ccccc2)n1 ZINC000419411539 1194029550 /nfs/dbraw/zinc/02/95/50/1194029550.db2.gz PTLUATXFUSEJSX-KSSFIOAISA-N 0 3 385.468 0.333 20 0 GCADHN COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)C2)c1 ZINC000419454195 1194032542 /nfs/dbraw/zinc/03/25/42/1194032542.db2.gz ZBHDFINPQABGJH-ZQIUZPCESA-N 0 3 390.484 0.619 20 0 GCADHN COC(=O)c1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000419476006 1194039774 /nfs/dbraw/zinc/03/97/74/1194039774.db2.gz NTZQNWFVTXPYMM-FZMZJTMJSA-N 0 3 393.440 0.327 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1=O ZINC000501037771 1194043123 /nfs/dbraw/zinc/04/31/23/1194043123.db2.gz VKDFJZHZSWYARJ-INIZCTEOSA-N 0 3 380.489 0.810 20 0 GCADHN CCC(CC)C(=O)N1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419508104 1194048502 /nfs/dbraw/zinc/04/85/02/1194048502.db2.gz QRGDFRXRUAWEOK-XJKSGUPXSA-N 0 3 396.532 0.759 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OC(F)F ZINC000419530815 1194050550 /nfs/dbraw/zinc/05/05/50/1194050550.db2.gz ZPWDFVXMOKCBKS-LBPRGKRZSA-N 0 3 387.383 0.060 20 0 GCADHN C[C@@H](C(=O)NCCc1ccccc1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000501096862 1194055409 /nfs/dbraw/zinc/05/54/09/1194055409.db2.gz JLLLTXLBILHTHK-SFHVURJKSA-N 0 3 375.513 0.893 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1=O ZINC000501120907 1194063745 /nfs/dbraw/zinc/06/37/45/1194063745.db2.gz MXKSRHITTXXHFK-HOTGVXAUSA-N 0 3 394.447 0.892 20 0 GCADHN C[C@@H](NC[C@@H]1CN(C2CC2)CCO1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000501131196 1194065900 /nfs/dbraw/zinc/06/59/00/1194065900.db2.gz DMQFWEKRBJBZSN-CRAIPNDOSA-N 0 3 389.496 0.958 20 0 GCADHN COc1ccc(COCCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419588609 1194066104 /nfs/dbraw/zinc/06/61/04/1194066104.db2.gz OPGZOGYTIVNQHN-PBHICJAKSA-N 0 3 393.484 0.947 20 0 GCADHN COc1ccc(COCCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419588613 1194066206 /nfs/dbraw/zinc/06/62/06/1194066206.db2.gz OPGZOGYTIVNQHN-RHSMWYFYSA-N 0 3 393.484 0.947 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1)CC2 ZINC000419589174 1194066661 /nfs/dbraw/zinc/06/66/61/1194066661.db2.gz UXWNHACTZFEIQW-IAGOWNOFSA-N 0 3 384.484 0.957 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)c1nc(C2CC2)no1 ZINC000419591349 1194066674 /nfs/dbraw/zinc/06/66/74/1194066674.db2.gz UAXQQIJXLSCIAB-UHTWSYAYSA-N 0 3 379.461 0.990 20 0 GCADHN NCCN(Cc1ccccc1)C(=O)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000419647838 1194076519 /nfs/dbraw/zinc/07/65/19/1194076519.db2.gz LYDDGJJRVNMIMP-UHFFFAOYSA-N 0 3 389.477 0.564 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCN2CCC(C)CC2)nn1CC(F)(F)F ZINC000419649985 1194077208 /nfs/dbraw/zinc/07/72/08/1194077208.db2.gz NTCJOVGCKLPFIK-UHFFFAOYSA-N 0 3 375.395 1.540 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCc1nnnn1CC1CC1)c1ccc2ccccc2c1 ZINC000419675435 1194080147 /nfs/dbraw/zinc/08/01/47/1194080147.db2.gz KNTFMEAIZOHZQE-KRWDZBQOSA-N 0 3 393.451 0.669 20 0 GCADHN CC(=O)Nc1cccc(OCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419683371 1194081858 /nfs/dbraw/zinc/08/18/58/1194081858.db2.gz KNYBWAQDCNQRBJ-WBMJQRKESA-N 0 3 392.456 0.369 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000419658420 1194082172 /nfs/dbraw/zinc/08/21/72/1194082172.db2.gz XAHOCJDIZUXXGS-RHSMWYFYSA-N 0 3 385.468 0.777 20 0 GCADHN COc1ccc(C(C)(C)CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1OC ZINC000419702307 1194082394 /nfs/dbraw/zinc/08/23/94/1194082394.db2.gz BBTSJRMYUFEPOT-CQSZACIVSA-N 0 3 379.457 0.202 20 0 GCADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@H](N)c2ccccc2)C1=O ZINC000419727276 1194088809 /nfs/dbraw/zinc/08/88/09/1194088809.db2.gz IQAVSAFNOCYIQQ-HOTGVXAUSA-N 0 3 398.467 0.331 20 0 GCADHN [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000419712079 1194090689 /nfs/dbraw/zinc/09/06/89/1194090689.db2.gz QILICCZDHNOZMG-UHFFFAOYSA-N 0 3 384.362 0.817 20 0 GCADHN Cn1cc(CCNC(=O)C(=O)NC[C@@H]2CNCCO2)c2ccc(Cl)cc21 ZINC000419712347 1194091065 /nfs/dbraw/zinc/09/10/65/1194091065.db2.gz PCJHNHYSDPAJSG-AWEZNQCLSA-N 0 3 378.860 0.595 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCCN1CCc2ccccc2C1=O)c1ccccc1 ZINC000419718041 1194091525 /nfs/dbraw/zinc/09/15/25/1194091525.db2.gz AKSFJFJOXAKUFX-GOSISDBHSA-N 0 3 380.448 0.617 20 0 GCADHN CCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OCC ZINC000419739042 1194099815 /nfs/dbraw/zinc/09/98/15/1194099815.db2.gz JEZGLHFFCJOEPR-HIFRSBDPSA-N 0 3 379.457 0.766 20 0 GCADHN C[C@H](Cn1cccn1)NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000501276236 1194102618 /nfs/dbraw/zinc/10/26/18/1194102618.db2.gz ISJYNZOLNYKYDR-OLZOCXBDSA-N 0 3 377.470 0.486 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1S(C)(=O)=O ZINC000419772742 1194102874 /nfs/dbraw/zinc/10/28/74/1194102874.db2.gz ITAVRGAHWWOCOF-GXTWGEPZSA-N 0 3 397.497 0.244 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000419794095 1194104375 /nfs/dbraw/zinc/10/43/75/1194104375.db2.gz DNXIUULUOFJZSV-UHFFFAOYSA-N 0 3 398.460 0.415 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCC2(N(C)C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000419796517 1194105653 /nfs/dbraw/zinc/10/56/53/1194105653.db2.gz OSYAPLBJINIRNE-UHFFFAOYSA-N 0 3 394.497 0.585 20 0 GCADHN [NH3+]C1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCCCC1 ZINC000419799073 1194105735 /nfs/dbraw/zinc/10/57/35/1194105735.db2.gz BRJUAKLGZYIKKX-UHFFFAOYSA-N 0 3 388.468 0.454 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000501287092 1194108126 /nfs/dbraw/zinc/10/81/26/1194108126.db2.gz UYOJDMCWUXKHFW-AWEZNQCLSA-N 0 3 396.513 0.866 20 0 GCADHN CCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419833846 1194116462 /nfs/dbraw/zinc/11/64/62/1194116462.db2.gz WNKVBPNNKQVHKG-IUODEOHRSA-N 0 3 376.457 0.282 20 0 GCADHN COc1cc(CNC(=O)C(=O)NC[C@H]2CNCCO2)ccc1OC1CCCC1 ZINC000419833296 1194116673 /nfs/dbraw/zinc/11/66/73/1194116673.db2.gz WERLOMHJHQOZFO-MRXNPFEDSA-N 0 3 391.468 0.737 20 0 GCADHN CCOc1cccc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)n1 ZINC000419902686 1194137462 /nfs/dbraw/zinc/13/74/62/1194137462.db2.gz AAOQJOPLQLQRGJ-QGZVFWFLSA-N 0 3 397.479 0.945 20 0 GCADHN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419928160 1194140455 /nfs/dbraw/zinc/14/04/55/1194140455.db2.gz KMRULXSGNPMGSR-JKSUJKDBSA-N 0 3 396.513 0.123 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1)c1ccccc1 ZINC000419928591 1194140518 /nfs/dbraw/zinc/14/05/18/1194140518.db2.gz LGOIGCOHLBMQFF-ROUUACIJSA-N 0 3 380.448 0.892 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)n1 ZINC000419908478 1194141420 /nfs/dbraw/zinc/14/14/20/1194141420.db2.gz FCEMKDWBCDFKDU-CQSZACIVSA-N 0 3 388.497 0.565 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)n1 ZINC000419908477 1194141684 /nfs/dbraw/zinc/14/16/84/1194141684.db2.gz FCEMKDWBCDFKDU-AWEZNQCLSA-N 0 3 388.497 0.565 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1)c1ccccc1 ZINC000419934195 1194144710 /nfs/dbraw/zinc/14/47/10/1194144710.db2.gz QWKQAOZDUCUCCW-INIZCTEOSA-N 0 3 386.477 0.849 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)[C@H](C)C2)[nH]n1 ZINC000419937012 1194145251 /nfs/dbraw/zinc/14/52/51/1194145251.db2.gz VDXYGMKVTMRLAI-GDBMZVCRSA-N 0 3 398.467 0.207 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)[C@H](C)C2)n[nH]1 ZINC000419937012 1194145254 /nfs/dbraw/zinc/14/52/54/1194145254.db2.gz VDXYGMKVTMRLAI-GDBMZVCRSA-N 0 3 398.467 0.207 20 0 GCADHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419937158 1194145285 /nfs/dbraw/zinc/14/52/85/1194145285.db2.gz VOZSNNUCSKZDJG-JYJNAYRXSA-N 0 3 377.441 0.372 20 0 GCADHN CS(=O)(=O)C[C@@H](NC(=O)C(=O)N[C@H](CN)C1CCCCC1)c1ccccc1 ZINC000419970704 1194149570 /nfs/dbraw/zinc/14/95/70/1194149570.db2.gz VJJGLHKQHQRJHR-IAGOWNOFSA-N 0 3 395.525 0.912 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000420023194 1194158279 /nfs/dbraw/zinc/15/82/79/1194158279.db2.gz AJPMKSOKRKJZCU-SRMUXQRQSA-N 0 3 379.432 0.689 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000420025930 1194158812 /nfs/dbraw/zinc/15/88/12/1194158812.db2.gz BURZNUDDBXCWRT-ZIAGYGMSSA-N 0 3 376.457 0.270 20 0 GCADHN COCCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420024646 1194158848 /nfs/dbraw/zinc/15/88/48/1194158848.db2.gz BJBJHSKTAIPWNT-NVXWUHKLSA-N 0 3 377.485 0.933 20 0 GCADHN COCCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420024643 1194158934 /nfs/dbraw/zinc/15/89/34/1194158934.db2.gz BJBJHSKTAIPWNT-DOTOQJQBSA-N 0 3 377.485 0.933 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000420024671 1194158959 /nfs/dbraw/zinc/15/89/59/1194158959.db2.gz BJEVKDWIBBSCEQ-YUTCNCBUSA-N 0 3 391.472 0.882 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000420026399 1194159162 /nfs/dbraw/zinc/15/91/62/1194159162.db2.gz BTJPPRGRYPHECF-PBXWNFIWSA-N 0 3 397.422 0.828 20 0 GCADHN C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420027576 1194159418 /nfs/dbraw/zinc/15/94/18/1194159418.db2.gz COGFZPCFOAJNFD-MELADBBJSA-N 0 3 395.529 0.578 20 0 GCADHN C[C@H](c1nccs1)N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420027579 1194159848 /nfs/dbraw/zinc/15/98/48/1194159848.db2.gz COGFZPCFOAJNFD-RDBSUJKOSA-N 0 3 395.529 0.578 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000420029534 1194160327 /nfs/dbraw/zinc/16/03/27/1194160327.db2.gz FLNKQINJVWRLTG-BBRMVZONSA-N 0 3 376.457 0.270 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000420032327 1194160799 /nfs/dbraw/zinc/16/07/99/1194160799.db2.gz HVEBNPJVTUXHAI-AEAUEXCSSA-N 0 3 379.432 0.689 20 0 GCADHN CCCCN(C)C(=O)C1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420032740 1194160939 /nfs/dbraw/zinc/16/09/39/1194160939.db2.gz ICDZODZQFCDXPV-GOEBONIOSA-N 0 3 396.532 0.713 20 0 GCADHN Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)c1 ZINC000420012534 1194162219 /nfs/dbraw/zinc/16/22/19/1194162219.db2.gz BAORRPIPYUKPES-GJZGRUSLSA-N 0 3 375.473 0.268 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000420056088 1194163023 /nfs/dbraw/zinc/16/30/23/1194163023.db2.gz IGFJOHSKMMOYAI-IMJJTQAJSA-N 0 3 388.468 0.305 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000420055794 1194163178 /nfs/dbraw/zinc/16/31/78/1194163178.db2.gz IBBALRPVSZIXLK-GDBMZVCRSA-N 0 3 388.468 0.200 20 0 GCADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000420059150 1194163901 /nfs/dbraw/zinc/16/39/01/1194163901.db2.gz OSTNVPPPYGYYBY-MOPGFXCFSA-N 0 3 398.463 0.319 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCN2CCOC[C@H]2C1)c1ccc2ccccc2c1 ZINC000420060776 1194164226 /nfs/dbraw/zinc/16/42/26/1194164226.db2.gz QLFARGBEALDVNY-RTBURBONSA-N 0 3 382.464 0.499 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc2ccccc2c1 ZINC000420060401 1194164358 /nfs/dbraw/zinc/16/43/58/1194164358.db2.gz PYPSDJMHWLCKHY-UXHICEINSA-N 0 3 396.491 0.889 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000420062945 1194164869 /nfs/dbraw/zinc/16/48/69/1194164869.db2.gz SCQSZFKFEFIADA-JEBQAFNWSA-N 0 3 399.447 0.745 20 0 GCADHN CCc1ccc([C@@H]2COCCN2C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)o1 ZINC000420037179 1194165001 /nfs/dbraw/zinc/16/50/01/1194165001.db2.gz LWKCVUMHLYXYRQ-CFVMTHIKSA-N 0 3 379.457 0.971 20 0 GCADHN COCCCN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420038924 1194166105 /nfs/dbraw/zinc/16/61/05/1194166105.db2.gz NJLHBSKEGTWKNY-HOCLYGCPSA-N 0 3 378.473 0.676 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000420040298 1194166261 /nfs/dbraw/zinc/16/62/61/1194166261.db2.gz OVEHYBBZZQSEDC-WMLDXEAASA-N 0 3 397.479 0.986 20 0 GCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c(OC)c1 ZINC000420038936 1194166266 /nfs/dbraw/zinc/16/62/66/1194166266.db2.gz NJVKOWQTGOHWHB-SWLSCSKDSA-N 0 3 379.457 0.891 20 0 GCADHN COc1ccccc1N1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420039883 1194166274 /nfs/dbraw/zinc/16/62/74/1194166274.db2.gz OJOILDRVQOVKRX-GJZGRUSLSA-N 0 3 390.484 0.573 20 0 GCADHN Cc1noc(C2(C)CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)n1 ZINC000420040978 1194166738 /nfs/dbraw/zinc/16/67/38/1194166738.db2.gz POOCWBJFUNBGCM-DGCLKSJQSA-N 0 3 379.461 0.487 20 0 GCADHN Cc1noc(C2(C)CCN(C(=O)C(=O)NC[C@@H]3NC(C)(C)O[C@H]3C)CC2)n1 ZINC000420040976 1194166801 /nfs/dbraw/zinc/16/68/01/1194166801.db2.gz POOCWBJFUNBGCM-AAEUAGOBSA-N 0 3 379.461 0.487 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000420042472 1194166913 /nfs/dbraw/zinc/16/69/13/1194166913.db2.gz QSQMXZNLPPHLPG-WJPUGNRLSA-N 0 3 389.496 0.768 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000420044516 1194167350 /nfs/dbraw/zinc/16/73/50/1194167350.db2.gz TZRSAPIRVMJXOB-BQFCYCMXSA-N 0 3 388.512 0.949 20 0 GCADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420044192 1194167639 /nfs/dbraw/zinc/16/76/39/1194167639.db2.gz SRVJHVNBZZHGAB-QLFBSQMISA-N 0 3 382.505 0.226 20 0 GCADHN CCOc1ccc(NC(=O)CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000420043285 1194167641 /nfs/dbraw/zinc/16/76/41/1194167641.db2.gz RQLVDTFJKNKVMH-SWLSCSKDSA-N 0 3 392.456 0.369 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000420044821 1194168113 /nfs/dbraw/zinc/16/81/13/1194168113.db2.gz UFKUXOVRKUVYBA-BHYGNILZSA-N 0 3 391.468 0.522 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1 ZINC000420045529 1194168884 /nfs/dbraw/zinc/16/88/84/1194168884.db2.gz UVZIDIGLUFRASX-ZFWWWQNUSA-N 0 3 380.514 0.622 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCCCN1C(=O)CCC1=O)c1ccc2ccccc2c1 ZINC000420047417 1194169098 /nfs/dbraw/zinc/16/90/98/1194169098.db2.gz CPJTYWPDNMLGHS-QGZVFWFLSA-N 0 3 396.447 0.611 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000420048968 1194169579 /nfs/dbraw/zinc/16/95/79/1194169579.db2.gz XTXKBXBOWUNVGO-QCNOEVLYSA-N 0 3 381.395 0.377 20 0 GCADHN COCCN1CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1=O ZINC000420056366 1194171086 /nfs/dbraw/zinc/17/10/86/1194171086.db2.gz MNBZGTAOGGNKPC-SFHVURJKSA-N 0 3 398.463 0.273 20 0 GCADHN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420067981 1194171618 /nfs/dbraw/zinc/17/16/18/1194171618.db2.gz SMYOSXYQMQAPFM-PJIJBLCYSA-N 0 3 383.489 0.653 20 0 GCADHN COc1ccc2c(c1)OCCN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C2 ZINC000420068307 1194171672 /nfs/dbraw/zinc/17/16/72/1194171672.db2.gz SZRFOOUOKHXZPJ-IUODEOHRSA-N 0 3 377.441 0.645 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000420073182 1194172793 /nfs/dbraw/zinc/17/27/93/1194172793.db2.gz XYZHZWNKIQNRSH-STQMWFEESA-N 0 3 394.497 0.262 20 0 GCADHN CS(=O)(=O)C[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)c1ccccc1 ZINC000420075815 1194173203 /nfs/dbraw/zinc/17/32/03/1194173203.db2.gz UDUVIRSBKIWQBO-CVEARBPZSA-N 0 3 381.498 0.522 20 0 GCADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000420078044 1194173689 /nfs/dbraw/zinc/17/36/89/1194173689.db2.gz OLDATOJYMAKHGV-QGZVFWFLSA-N 0 3 385.468 0.685 20 0 GCADHN C[C@H]1COCCN1CCNC(=O)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000420076698 1194173732 /nfs/dbraw/zinc/17/37/32/1194173732.db2.gz MNFFARUZGYSPOR-KXBFYZLASA-N 0 3 384.480 0.793 20 0 GCADHN COC[C@]1(CO)CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000420076633 1194173746 /nfs/dbraw/zinc/17/37/46/1194173746.db2.gz MJAVFTMWIHRSAR-WIYYLYMNSA-N 0 3 385.464 0.813 20 0 GCADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000420082648 1194174485 /nfs/dbraw/zinc/17/44/85/1194174485.db2.gz VFHUNGNMLMGPNW-IRXDYDNUSA-N 0 3 383.452 0.486 20 0 GCADHN CCCCCC(=O)NC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420064286 1194175740 /nfs/dbraw/zinc/17/57/40/1194175740.db2.gz OHVPDIATERACBU-HOCLYGCPSA-N 0 3 396.532 0.903 20 0 GCADHN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000420066253 1194176074 /nfs/dbraw/zinc/17/60/74/1194176074.db2.gz WILGEAQNENTATR-GDIGMMSISA-N 0 3 385.464 0.954 20 0 GCADHN O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420162944 1194191757 /nfs/dbraw/zinc/19/17/57/1194191757.db2.gz JNHQKUREKSEYHD-UHFFFAOYSA-N 0 3 386.452 0.103 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000420185911 1194196012 /nfs/dbraw/zinc/19/60/12/1194196012.db2.gz AJLMBQJDHLGCSN-INIZCTEOSA-N 0 3 387.436 0.178 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000420198866 1194203151 /nfs/dbraw/zinc/20/31/51/1194203151.db2.gz MUIFGPVDQXTMIH-IBGZPJMESA-N 0 3 382.464 0.758 20 0 GCADHN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420199725 1194203247 /nfs/dbraw/zinc/20/32/47/1194203247.db2.gz MEHOLUREUOBXLN-CYBMUJFWSA-N 0 3 387.839 0.559 20 0 GCADHN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420201788 1194204239 /nfs/dbraw/zinc/20/42/39/1194204239.db2.gz OTAHETHZWNWUKO-HZPDHXFCSA-N 0 3 385.468 0.440 20 0 GCADHN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420205770 1194204989 /nfs/dbraw/zinc/20/49/89/1194204989.db2.gz SDLSBRBVXYMLLL-ZDUSSCGKSA-N 0 3 375.347 0.648 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000420189349 1194206722 /nfs/dbraw/zinc/20/67/22/1194206722.db2.gz DOVVYVSZPAGSMT-MRXNPFEDSA-N 0 3 393.871 0.866 20 0 GCADHN COc1ccc([C@H]2CCCN2C(=O)C(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000420190016 1194206940 /nfs/dbraw/zinc/20/69/40/1194206940.db2.gz FKYOIFQBRRIBET-LSDHHAIUSA-N 0 3 377.441 0.472 20 0 GCADHN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C(=O)NC[C@H]2CNCCO2)cc1 ZINC000420193077 1194208468 /nfs/dbraw/zinc/20/84/68/1194208468.db2.gz CKGXPVLQYITLFR-RBUKOAKNSA-N 0 3 389.496 0.650 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000420193566 1194208531 /nfs/dbraw/zinc/20/85/31/1194208531.db2.gz COMYEOZOMDHHSC-OAHLLOKOSA-N 0 3 381.423 0.851 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000420209840 1194212051 /nfs/dbraw/zinc/21/20/51/1194212051.db2.gz VTKBDXHSGAXWIZ-IBGZPJMESA-N 0 3 396.491 0.589 20 0 GCADHN CN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000420209141 1194212466 /nfs/dbraw/zinc/21/24/66/1194212466.db2.gz VIVBXXIGBXUKAI-DOMZBBRYSA-N 0 3 394.859 0.008 20 0 GCADHN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420214922 1194214149 /nfs/dbraw/zinc/21/41/49/1194214149.db2.gz ZZULJDALSGPAEY-NVXWUHKLSA-N 0 3 397.479 0.377 20 0 GCADHN Cc1ccc(C(=O)NCCN2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000614496644 1194221379 /nfs/dbraw/zinc/22/13/79/1194221379.db2.gz JCDYQMYMXFDIHM-UHFFFAOYSA-N 0 3 381.498 0.842 20 0 GCADHN COC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1C ZINC000420477532 1194231049 /nfs/dbraw/zinc/23/10/49/1194231049.db2.gz JYIXOPWWZJNLJX-AWEZNQCLSA-N 0 3 393.469 0.858 20 0 GCADHN CCOC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000420479322 1194232964 /nfs/dbraw/zinc/23/29/64/1194232964.db2.gz MOLVWXGJKAGMBQ-HNNXBMFYSA-N 0 3 393.469 0.939 20 0 GCADHN Cc1cc(C)n(CCCNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)n1 ZINC000549949395 1194233063 /nfs/dbraw/zinc/23/30/63/1194233063.db2.gz LZWVBQFFNWYPFG-KRWDZBQOSA-N 0 3 379.505 0.575 20 0 GCADHN C[C@H](O)CN1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)[C@H](C)C1 ZINC000501945778 1194249601 /nfs/dbraw/zinc/24/96/01/1194249601.db2.gz JVPQMSBORSMJNS-HLLBOEOZSA-N 0 3 376.457 0.251 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000420807224 1194265372 /nfs/dbraw/zinc/26/53/72/1194265372.db2.gz BWJUMJQHIBSEEJ-UHFFFAOYSA-N 0 3 396.557 0.865 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1)c1ccccc1 ZINC000420857919 1194269251 /nfs/dbraw/zinc/26/92/51/1194269251.db2.gz IBHMDSWRWUFKSB-KBAYOESNSA-N 0 3 377.485 0.794 20 0 GCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000502263481 1194286845 /nfs/dbraw/zinc/28/68/45/1194286845.db2.gz AFPMLYRMODVFHB-NXHRZFHOSA-N 0 3 386.496 0.893 20 0 GCADHN CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000502266625 1194287475 /nfs/dbraw/zinc/28/74/75/1194287475.db2.gz BUPBIJRTNPUMIL-HOTGVXAUSA-N 0 3 383.514 0.949 20 0 GCADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000502266626 1194287532 /nfs/dbraw/zinc/28/75/32/1194287532.db2.gz BUPBIJRTNPUMIL-HZPDHXFCSA-N 0 3 383.514 0.949 20 0 GCADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000502286899 1194292416 /nfs/dbraw/zinc/29/24/16/1194292416.db2.gz GMNCEQRJYHYHNV-QZTJIDSGSA-N 0 3 389.496 0.512 20 0 GCADHN CCC(CC)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)N1CCOCC1 ZINC000421222907 1194311309 /nfs/dbraw/zinc/31/13/09/1194311309.db2.gz ZISRZFCMUKNAAD-QZTJIDSGSA-N 0 3 382.549 0.792 20 0 GCADHN CSc1nnnn1-c1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421293551 1194323349 /nfs/dbraw/zinc/32/33/49/1194323349.db2.gz DRQMWGHYCWFWPS-AWEZNQCLSA-N 0 3 389.485 0.875 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C[C@H](O)CO)C(C)C)c2)CC1 ZINC000421295566 1194324073 /nfs/dbraw/zinc/32/40/73/1194324073.db2.gz BBKJWSPHOUSMAE-SFHVURJKSA-N 0 3 392.500 0.357 20 0 GCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)C[C@@H]1CCCN1C)CC2 ZINC000421296749 1194324193 /nfs/dbraw/zinc/32/41/93/1194324193.db2.gz KGAFJJSLEWVEDJ-AWEZNQCLSA-N 0 3 394.497 0.036 20 0 GCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)C[C@H]1CCCN1C)CC2 ZINC000421296751 1194324443 /nfs/dbraw/zinc/32/44/43/1194324443.db2.gz KGAFJJSLEWVEDJ-CQSZACIVSA-N 0 3 394.497 0.036 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1S(=O)(=O)N(C)C ZINC000421295175 1194324663 /nfs/dbraw/zinc/32/46/63/1194324663.db2.gz HUEZFZADORRJIP-OAHLLOKOSA-N 0 3 396.513 0.736 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421302326 1194326278 /nfs/dbraw/zinc/32/62/78/1194326278.db2.gz QREDWLAIFZBYRV-AWEZNQCLSA-N 0 3 382.486 0.428 20 0 GCADHN CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)[C@H]2C1 ZINC000502499562 1194326366 /nfs/dbraw/zinc/32/63/66/1194326366.db2.gz RUTQIKTVAMRMEM-FJIDUMEYSA-N 0 3 379.501 0.868 20 0 GCADHN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)C[C@H]3CCCN3C)cn2)CCO1 ZINC000421405592 1194335890 /nfs/dbraw/zinc/33/58/90/1194335890.db2.gz IFTXOBIGPSZFFY-NVXWUHKLSA-N 0 3 389.500 0.476 20 0 GCADHN CC[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000502588935 1194336149 /nfs/dbraw/zinc/33/61/49/1194336149.db2.gz OMILCOHIKJPHJT-IRXDYDNUSA-N 0 3 378.517 0.838 20 0 GCADHN COc1ccc(N2CCN(C(=O)C(=O)NCCN3CCC[C@@H](C)C3)CC2)nc1 ZINC000421508610 1194343078 /nfs/dbraw/zinc/34/30/78/1194343078.db2.gz FLCSJVXGZMTZON-MRXNPFEDSA-N 0 3 389.500 0.587 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cn1 ZINC000421526861 1194344838 /nfs/dbraw/zinc/34/48/38/1194344838.db2.gz XNSCUPWADJAURT-SOLBZPMBSA-N 0 3 391.516 0.945 20 0 GCADHN C[NH+](C)CCOc1cc(CNC(=O)c2cncc([N-]S(C)(=O)=O)c2)ccn1 ZINC000502668821 1194346504 /nfs/dbraw/zinc/34/65/04/1194346504.db2.gz OOIRJGGOLURDPZ-UHFFFAOYSA-N 0 3 393.469 0.719 20 0 GCADHN COc1ccc([C@H](CN(C)C)NC(=O)NCC2CN(S(C)(=O)=O)C2)cc1 ZINC000502683700 1194347761 /nfs/dbraw/zinc/34/77/61/1194347761.db2.gz YFBLSDAJLXCBMF-INIZCTEOSA-N 0 3 384.502 0.489 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000421557062 1194348539 /nfs/dbraw/zinc/34/85/39/1194348539.db2.gz MNXYIYKRLQPQKH-DLBZAZTESA-N 0 3 378.517 0.981 20 0 GCADHN CN1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000509955448 1194349075 /nfs/dbraw/zinc/34/90/75/1194349075.db2.gz AEPZQWIOQVALBV-UHFFFAOYSA-N 0 3 398.504 0.296 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000421670692 1194355983 /nfs/dbraw/zinc/35/59/83/1194355983.db2.gz OJFJKHUZLXOKRL-MOPGFXCFSA-N 0 3 388.512 0.729 20 0 GCADHN CCN(CC(=O)NCc1cccs1)C(=O)CN[C@H]1CCC[C@@H]1C(=O)NC ZINC000502841701 1194359525 /nfs/dbraw/zinc/35/95/25/1194359525.db2.gz LNSRVKBOPOERPJ-GJZGRUSLSA-N 0 3 380.514 0.717 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000502926982 1194368232 /nfs/dbraw/zinc/36/82/32/1194368232.db2.gz VHXSJBLWKYYJLB-GDBMZVCRSA-N 0 3 385.534 0.809 20 0 GCADHN C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000502940544 1194370521 /nfs/dbraw/zinc/37/05/21/1194370521.db2.gz QXBOKYFLBNUIQW-QGZVFWFLSA-N 0 3 398.460 0.997 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000503038025 1194376545 /nfs/dbraw/zinc/37/65/45/1194376545.db2.gz VAYBNZRZQSUWIS-UHFFFAOYSA-N 0 3 397.564 0.683 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)n1 ZINC000422099409 1194384209 /nfs/dbraw/zinc/38/42/09/1194384209.db2.gz COXITIIGFHWUQI-AWEZNQCLSA-N 0 3 380.518 0.438 20 0 GCADHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H](CO)OC(C)(C)C2)c1 ZINC000422093257 1194389628 /nfs/dbraw/zinc/38/96/28/1194389628.db2.gz AHQPIIPSUMUSJH-GOSISDBHSA-N 0 3 391.512 0.884 20 0 GCADHN C[C@H](c1nccs1)N1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000422124104 1194390157 /nfs/dbraw/zinc/39/01/57/1194390157.db2.gz UYRMGJUQHSANDC-HUUCEWRRSA-N 0 3 379.530 0.901 20 0 GCADHN O=C(CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)NCC(F)F ZINC000280767446 1194390639 /nfs/dbraw/zinc/39/06/39/1194390639.db2.gz OTESNGKIKOZKJZ-OAHLLOKOSA-N 0 3 384.427 0.958 20 0 GCADHN CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)C2)n1 ZINC000422119580 1194394985 /nfs/dbraw/zinc/39/49/85/1194394985.db2.gz SIAABDALHOGQAM-KBPBESRZSA-N 0 3 378.477 0.394 20 0 GCADHN CC(=O)N[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000422147045 1194399106 /nfs/dbraw/zinc/39/91/06/1194399106.db2.gz WPTFSQHYKFNORQ-KRWDZBQOSA-N 0 3 394.903 0.967 20 0 GCADHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CCCc2ccccc2)CCN(C)C)C1 ZINC000422149999 1194400411 /nfs/dbraw/zinc/40/04/11/1194400411.db2.gz ZCCOGZSBYADMSQ-LJQANCHMSA-N 0 3 388.512 0.746 20 0 GCADHN NS(=O)(=O)c1ccc(OCCN2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000280768758 1194401839 /nfs/dbraw/zinc/40/18/39/1194401839.db2.gz IXAWEPXMNXDKHU-UHFFFAOYSA-N 0 3 397.497 0.284 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)CC1 ZINC000414575800 1194402667 /nfs/dbraw/zinc/40/26/67/1194402667.db2.gz HIXYFOSSYZGHIC-MSOLQXFVSA-N 0 3 386.496 0.657 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1c(OC)ncnc1N(C)C ZINC000271723533 1194407075 /nfs/dbraw/zinc/40/70/75/1194407075.db2.gz YFYDNLOLTJRCLM-CYBMUJFWSA-N 0 3 378.477 0.870 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000271818592 1194414968 /nfs/dbraw/zinc/41/49/68/1194414968.db2.gz VIHGHMUMQLNZLN-CHWSQXEVSA-N 0 3 378.477 0.726 20 0 GCADHN O=C(NCC(=O)N1CCOCC1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000271889320 1194421183 /nfs/dbraw/zinc/42/11/83/1194421183.db2.gz CAAPLLUXDJMWRA-ZWKOTPCHSA-N 0 3 390.484 0.027 20 0 GCADHN C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCN1S(C)(=O)=O ZINC000271910928 1194423611 /nfs/dbraw/zinc/42/36/11/1194423611.db2.gz QAFSPPRLQBSOOH-DOTOQJQBSA-N 0 3 380.514 0.936 20 0 GCADHN COCCOc1cc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)ccn1 ZINC000271948168 1194425692 /nfs/dbraw/zinc/42/56/92/1194425692.db2.gz YWOSGYUKVBJFNZ-MRXNPFEDSA-N 0 3 378.473 0.779 20 0 GCADHN COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000414588496 1194431828 /nfs/dbraw/zinc/43/18/28/1194431828.db2.gz ZIZYAUFMOCLIAK-BEFAXECRSA-N 0 3 383.489 0.357 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 ZINC000272149171 1194439208 /nfs/dbraw/zinc/43/92/08/1194439208.db2.gz CGJHLVGIWAJJSU-UHFFFAOYSA-N 0 3 383.470 0.590 20 0 GCADHN COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000272245914 1194443924 /nfs/dbraw/zinc/44/39/24/1194443924.db2.gz OEOCSEKXVRMCDP-GHMZBOCLSA-N 0 3 383.470 0.706 20 0 GCADHN COC[C@H](NCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C1CC1 ZINC000272365694 1194454011 /nfs/dbraw/zinc/45/40/11/1194454011.db2.gz SUXJKYVHLVJPOV-HNAYVOBHSA-N 0 3 390.440 0.508 20 0 GCADHN Cn1cnn(CC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1=O ZINC000272374014 1194454497 /nfs/dbraw/zinc/45/44/97/1194454497.db2.gz URBNSYZOVUKSCU-UHFFFAOYSA-N 0 3 377.420 0.381 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@H]2C1 ZINC000272468354 1194463566 /nfs/dbraw/zinc/46/35/66/1194463566.db2.gz LCKAJANPHQYRBY-QAPCUYQASA-N 0 3 393.509 0.874 20 0 GCADHN CN1CC[C@H]2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)[C@@H]2C1 ZINC000272473469 1194464345 /nfs/dbraw/zinc/46/43/45/1194464345.db2.gz LOFJBRGXQLOCLA-ZWKOTPCHSA-N 0 3 382.464 0.611 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H](C)NC[C@@H]2C)cc1 ZINC000272491697 1194466065 /nfs/dbraw/zinc/46/60/65/1194466065.db2.gz CISHARHMZMMRCS-AVGNSLFASA-N 0 3 382.486 0.521 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000272491694 1194466186 /nfs/dbraw/zinc/46/61/86/1194466186.db2.gz CISHARHMZMMRCS-AGIUHOORSA-N 0 3 382.486 0.521 20 0 GCADHN C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)[C@@H](C)CN1 ZINC000272498227 1194466852 /nfs/dbraw/zinc/46/68/52/1194466852.db2.gz DGVASDFBPSBDKR-YCPHGPKFSA-N 0 3 381.498 0.966 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)C[C@H]1CCCC[C@H]1O ZINC000272498153 1194466864 /nfs/dbraw/zinc/46/68/64/1194466864.db2.gz ILLXJNXOGDOAOM-QGPMSJSTSA-N 0 3 397.541 0.864 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272501772 1194466871 /nfs/dbraw/zinc/46/68/71/1194466871.db2.gz VSLZWZPYFRXJSF-NVXWUHKLSA-N 0 3 379.482 0.720 20 0 GCADHN CCOc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](C)NC[C@H]2C)cc1OCC ZINC000272502487 1194467511 /nfs/dbraw/zinc/46/75/11/1194467511.db2.gz DTAYULCMVBZLGU-ZIAGYGMSSA-N 0 3 399.513 0.971 20 0 GCADHN COc1cc(CNC(=O)N(C)CCCN2CCN(C)CC2)ccc1OCCO ZINC000272519710 1194468788 /nfs/dbraw/zinc/46/87/88/1194468788.db2.gz ZAYGPKJLGZSZBA-UHFFFAOYSA-N 0 3 394.516 0.845 20 0 GCADHN CCN1CCN(CCNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1 ZINC000272521223 1194468800 /nfs/dbraw/zinc/46/88/00/1194468800.db2.gz VUTVTLQGHACJSF-HOTGVXAUSA-N 0 3 378.498 0.444 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000272529088 1194469921 /nfs/dbraw/zinc/46/99/21/1194469921.db2.gz ICRKGTZMOPPMCE-QWHCGFSZSA-N 0 3 385.461 0.669 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C)NC[C@H]2C)cc1 ZINC000272534213 1194470442 /nfs/dbraw/zinc/47/04/42/1194470442.db2.gz IXLOFKGPMFEUFV-QWHCGFSZSA-N 0 3 382.486 0.474 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000272551758 1194472253 /nfs/dbraw/zinc/47/22/53/1194472253.db2.gz KSRHQWLYKDCYLP-UONOGXRCSA-N 0 3 397.497 0.725 20 0 GCADHN O=C(NCCNC(=O)c1ccn[nH]1)NCC1(N2CCSCC2)CCCC1 ZINC000272569435 1194474217 /nfs/dbraw/zinc/47/42/17/1194474217.db2.gz PNMYKBNBKSURKU-UHFFFAOYSA-N 0 3 380.518 0.800 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)[C@H]2C1 ZINC000272579908 1194475770 /nfs/dbraw/zinc/47/57/70/1194475770.db2.gz WCVAAKWJFGMRKC-CJNGLKHVSA-N 0 3 398.554 0.918 20 0 GCADHN COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000272654686 1194483868 /nfs/dbraw/zinc/48/38/68/1194483868.db2.gz FSKAUYDYOCNZNO-AWEZNQCLSA-N 0 3 381.498 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1194494448 /nfs/dbraw/zinc/49/44/48/1194494448.db2.gz CEYLFBIVPUJUAD-WBVHZDCISA-N 0 3 383.514 0.447 20 0 GCADHN COc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc(OC)c1OCC(N)=O ZINC000272823093 1194505974 /nfs/dbraw/zinc/50/59/74/1194505974.db2.gz XKISBMGQCNOQBD-GFCCVEGCSA-N 0 3 377.441 0.948 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC(CCCO)CC1 ZINC000272824319 1194505982 /nfs/dbraw/zinc/50/59/82/1194505982.db2.gz LPRBMFYPXRROIL-HNNXBMFYSA-N 0 3 397.541 0.866 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCN1CCNC(=O)C1 ZINC000272859910 1194512293 /nfs/dbraw/zinc/51/22/93/1194512293.db2.gz IDAPTAYBDDSVAA-UHFFFAOYSA-N 0 3 383.443 0.470 20 0 GCADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1cccn2c(=O)[nH]nc12 ZINC000272889249 1194515174 /nfs/dbraw/zinc/51/51/74/1194515174.db2.gz AMZQSWATOVWOHJ-NVXWUHKLSA-N 0 3 381.436 0.635 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](COC)OC)c(C)c2)CC1 ZINC000272903798 1194517094 /nfs/dbraw/zinc/51/70/94/1194517094.db2.gz KGQPDZIIBXAIFG-QGZVFWFLSA-N 0 3 392.500 0.853 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000273052312 1194534143 /nfs/dbraw/zinc/53/41/43/1194534143.db2.gz VMKQOQQXLPFHLM-SFHVURJKSA-N 0 3 390.484 0.300 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccsc2C(=O)OC)CC1 ZINC000273050147 1194534167 /nfs/dbraw/zinc/53/41/67/1194534167.db2.gz CFMOZENZIYIVFB-CYBMUJFWSA-N 0 3 396.513 0.863 20 0 GCADHN COc1cccc(C(=O)NCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000273049948 1194534193 /nfs/dbraw/zinc/53/41/93/1194534193.db2.gz JOAWQOYTKBHRDL-KRWDZBQOSA-N 0 3 388.468 0.190 20 0 GCADHN COc1cc(CN[C@H](C)C[S@@](C)=O)ccc1OCC(=O)N1CCOCC1 ZINC000273059306 1194535562 /nfs/dbraw/zinc/53/55/62/1194535562.db2.gz LZDKSUDUMLNAQY-IYJVBRSBSA-N 0 3 384.498 0.789 20 0 GCADHN C[C@@H](NC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)C1=CCN(C)CC1 ZINC000273070605 1194536760 /nfs/dbraw/zinc/53/67/60/1194536760.db2.gz ZKSXYXPGVCVLMC-LSDHHAIUSA-N 0 3 384.488 0.995 20 0 GCADHN C[C@]1(NCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CCO[C@@H]1C1CC1 ZINC000273101406 1194539303 /nfs/dbraw/zinc/53/93/03/1194539303.db2.gz VTJUOKDHCUMZLR-MSOLQXFVSA-N 0 3 379.482 0.770 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1=O ZINC000273134719 1194541711 /nfs/dbraw/zinc/54/17/11/1194541711.db2.gz VLYANDBHZZNVDL-RDJZCZTQSA-N 0 3 387.484 0.099 20 0 GCADHN CN(CCN1CCOC(C)(C)C1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000434184001 1194543899 /nfs/dbraw/zinc/54/38/99/1194543899.db2.gz QONFCRNXOLJIQN-UHFFFAOYSA-N 0 3 399.580 0.129 20 0 GCADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](CC(N)=O)C1CCCCC1 ZINC000273287008 1194552157 /nfs/dbraw/zinc/55/21/57/1194552157.db2.gz LZSOGUHHXORVLU-MRXNPFEDSA-N 0 3 396.513 0.995 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)CN[C@H](CC(N)=O)C1CCCCC1 ZINC000273343289 1194556371 /nfs/dbraw/zinc/55/63/71/1194556371.db2.gz XEZUEYDIGKVYIX-CQSZACIVSA-N 0 3 379.461 0.949 20 0 GCADHN COc1cc(CN[C@@]2(CO)CCOC2)ccc1OCC(=O)N1CCOCC1 ZINC000273504188 1194567176 /nfs/dbraw/zinc/56/71/76/1194567176.db2.gz PPUAAEXJJZWMEM-LJQANCHMSA-N 0 3 380.441 0.174 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000273543862 1194570805 /nfs/dbraw/zinc/57/08/05/1194570805.db2.gz UIZILBAUOZANLH-ZBFHGGJFSA-N 0 3 399.538 0.994 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2ncc(F)cn2)CC1)CN1CCN(C)CC1 ZINC000273662690 1194581040 /nfs/dbraw/zinc/58/10/40/1194581040.db2.gz KJGTWATZPRCQQQ-HNNXBMFYSA-N 0 3 379.484 0.331 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000422255487 1194594796 /nfs/dbraw/zinc/59/47/96/1194594796.db2.gz DEDBPOQDJFQKHT-HUUCEWRRSA-N 0 3 395.525 0.943 20 0 GCADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000422267363 1194595735 /nfs/dbraw/zinc/59/57/35/1194595735.db2.gz XUTRJCGGOJPOMD-UKRRQHHQSA-N 0 3 396.513 0.325 20 0 GCADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000422280126 1194599940 /nfs/dbraw/zinc/59/99/40/1194599940.db2.gz URHGBMDLDWJKAK-CABCVRRESA-N 0 3 385.530 0.588 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000422280297 1194599961 /nfs/dbraw/zinc/59/99/61/1194599961.db2.gz GVZOBLVGEXZKFZ-ROUUACIJSA-N 0 3 386.496 0.845 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000422262751 1194601804 /nfs/dbraw/zinc/60/18/04/1194601804.db2.gz RMZBMCMWHCQGAE-LPHOPBHVSA-N 0 3 398.573 0.252 20 0 GCADHN COc1cc(OC)c(CCNC(=O)C(=O)N(C)C[C@H]2CCCN2C)c(OC)c1 ZINC000422293723 1194605546 /nfs/dbraw/zinc/60/55/46/1194605546.db2.gz AQLZYWNDHBTHPD-CQSZACIVSA-N 0 3 393.484 0.924 20 0 GCADHN COC1([C@H](C)NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC1 ZINC000422293247 1194605997 /nfs/dbraw/zinc/60/59/97/1194605997.db2.gz KVPQHIJJEBYZNJ-LSDHHAIUSA-N 0 3 382.505 0.119 20 0 GCADHN COc1cccc(N2C[C@H](NC(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2=O)c1 ZINC000422299371 1194608762 /nfs/dbraw/zinc/60/87/62/1194608762.db2.gz SPZPEUUELXHQAS-GDBMZVCRSA-N 0 3 388.468 0.469 20 0 GCADHN CC[C@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CC1(C)C ZINC000422299323 1194608799 /nfs/dbraw/zinc/60/87/99/1194608799.db2.gz SFYWZHGLNLQGQH-OWCLPIDISA-N 0 3 380.533 0.986 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000422320474 1194612974 /nfs/dbraw/zinc/61/29/74/1194612974.db2.gz AZOUVCQALJPTSH-GDBMZVCRSA-N 0 3 390.459 0.988 20 0 GCADHN CC1(C)CCC[C@@H](CNC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000422321748 1194613671 /nfs/dbraw/zinc/61/36/71/1194613671.db2.gz CPSIYDPVDHLOQM-GOSISDBHSA-N 0 3 396.576 0.825 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000422327807 1194615310 /nfs/dbraw/zinc/61/53/10/1194615310.db2.gz PZHRUXFZUDVVLS-ZFWWWQNUSA-N 0 3 376.432 0.600 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000422327806 1194615500 /nfs/dbraw/zinc/61/55/00/1194615500.db2.gz PZHRUXFZUDVVLS-UKRRQHHQSA-N 0 3 376.432 0.600 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1cc(F)ccc1N1CCOCC1 ZINC000422353220 1194617808 /nfs/dbraw/zinc/61/78/08/1194617808.db2.gz QZKPZBVWBVIJJN-QGZVFWFLSA-N 0 3 392.475 0.831 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2)Cc2ccccc2C1 ZINC000422350296 1194622359 /nfs/dbraw/zinc/62/23/59/1194622359.db2.gz JRTSRJFIJVYQHK-KRWDZBQOSA-N 0 3 389.496 0.200 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000422388802 1194632251 /nfs/dbraw/zinc/63/22/51/1194632251.db2.gz MREUGANHIKMZEO-IRXDYDNUSA-N 0 3 387.484 0.241 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000422388797 1194632331 /nfs/dbraw/zinc/63/23/31/1194632331.db2.gz MREUGANHIKMZEO-DLBZAZTESA-N 0 3 387.484 0.241 20 0 GCADHN Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]3CCCN3C)C2=O)cc1 ZINC000422393312 1194634804 /nfs/dbraw/zinc/63/48/04/1194634804.db2.gz CSHDUCWNOOFUBL-ZWKOTPCHSA-N 0 3 386.496 0.765 20 0 GCADHN CCn1ccc(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000422395520 1194635422 /nfs/dbraw/zinc/63/54/22/1194635422.db2.gz GLJLANCDZCGNHQ-LJQANCHMSA-N 0 3 399.495 0.927 20 0 GCADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)C1=O ZINC000422396291 1194635702 /nfs/dbraw/zinc/63/57/02/1194635702.db2.gz KTJCPNXIFQIAJZ-LSDHHAIUSA-N 0 3 388.468 0.469 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N(C)C[C@H]1CCCN1C)CCC2 ZINC000422425121 1194638038 /nfs/dbraw/zinc/63/80/38/1194638038.db2.gz LPVRHPIJOUMDFG-HZPDHXFCSA-N 0 3 377.489 0.576 20 0 GCADHN COCC1(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCCC1 ZINC000422451867 1194643050 /nfs/dbraw/zinc/64/30/50/1194643050.db2.gz KYRIZXVTUPNVKX-UHFFFAOYSA-N 0 3 394.516 0.076 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C2CC2)C2CCC2)CC1 ZINC000422463757 1194650160 /nfs/dbraw/zinc/65/01/60/1194650160.db2.gz ISZXHYRGPXYQFB-GOSISDBHSA-N 0 3 378.517 0.694 20 0 GCADHN COc1cccc2c1C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C2 ZINC000422493033 1194651710 /nfs/dbraw/zinc/65/17/10/1194651710.db2.gz XFBYZGPKYCXKNE-SJORKVTESA-N 0 3 389.496 0.848 20 0 GCADHN COc1cccc2c1C[C@@H](NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1)C2 ZINC000422493032 1194651913 /nfs/dbraw/zinc/65/19/13/1194651913.db2.gz XFBYZGPKYCXKNE-IRXDYDNUSA-N 0 3 389.496 0.848 20 0 GCADHN COc1cccc2c1C[C@H](NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1)C2 ZINC000422493031 1194652003 /nfs/dbraw/zinc/65/20/03/1194652003.db2.gz XFBYZGPKYCXKNE-IAGOWNOFSA-N 0 3 389.496 0.848 20 0 GCADHN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN[C@@H]1CCC[C@H]1OC(F)F ZINC000503401944 1194658667 /nfs/dbraw/zinc/65/86/67/1194658667.db2.gz GUZOFOHHZDMBNL-TZMCWYRMSA-N 0 3 389.424 0.973 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422528944 1194662488 /nfs/dbraw/zinc/66/24/88/1194662488.db2.gz OGTWPHAANBWODQ-INIZCTEOSA-N 0 3 376.432 0.601 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422530888 1194662873 /nfs/dbraw/zinc/66/28/73/1194662873.db2.gz RNKUQMJYNFCPEQ-INIZCTEOSA-N 0 3 378.448 0.846 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@@](C)(OC)C2CC2)CC1 ZINC000422535576 1194664483 /nfs/dbraw/zinc/66/44/83/1194664483.db2.gz WGGQKECZAWURAV-FOIQADDNSA-N 0 3 396.532 0.319 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cc(C)nc(C)c2)CC1 ZINC000422590385 1194669500 /nfs/dbraw/zinc/66/95/00/1194669500.db2.gz OWYBWPSBCSOEAK-UHFFFAOYSA-N 0 3 389.500 0.327 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CC1(C)C ZINC000422583991 1194672250 /nfs/dbraw/zinc/67/22/50/1194672250.db2.gz YQEGLDVKRVZGTK-CVEARBPZSA-N 0 3 378.517 0.694 20 0 GCADHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cn(CC(N)=O)nn1 ZINC000503461740 1194673351 /nfs/dbraw/zinc/67/33/51/1194673351.db2.gz MPYWYVJEELTBTN-HNNXBMFYSA-N 0 3 386.456 0.596 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000422619250 1194677276 /nfs/dbraw/zinc/67/72/76/1194677276.db2.gz PVMRNIQUKMVVEQ-FHWLQOOXSA-N 0 3 389.496 0.813 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)N1CCOCC1 ZINC000414675933 1194679807 /nfs/dbraw/zinc/67/98/07/1194679807.db2.gz GXQRVHYPTPQECD-QGZVFWFLSA-N 0 3 390.484 0.580 20 0 GCADHN CCOC(=O)[C@H]1NCC[C@@H]1NCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000422758872 1194695500 /nfs/dbraw/zinc/69/55/00/1194695500.db2.gz JIDZBOQALSSLKQ-LPHOPBHVSA-N 0 3 377.485 0.945 20 0 GCADHN CN1CC[C@@H]2OCCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)[C@H]2C1 ZINC000503610084 1194699958 /nfs/dbraw/zinc/69/99/58/1194699958.db2.gz LSVWUWOLOHJWQE-BWJWTDLKSA-N 0 3 382.530 0.644 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(CNC(C)=O)cc2)CC1 ZINC000503621505 1194700970 /nfs/dbraw/zinc/70/09/70/1194700970.db2.gz WOIMHZHOKREVCA-HNNXBMFYSA-N 0 3 389.500 0.403 20 0 GCADHN [NH3+]Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000414698315 1194703153 /nfs/dbraw/zinc/70/31/53/1194703153.db2.gz CYBZXEUIMHTNEK-UHFFFAOYSA-N 0 3 382.420 0.774 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)OC)c(C)c2)CC1 ZINC000503645246 1194703889 /nfs/dbraw/zinc/70/38/89/1194703889.db2.gz VIRKAZMALXVGSE-HNNXBMFYSA-N 0 3 390.484 0.862 20 0 GCADHN O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000414700573 1194705977 /nfs/dbraw/zinc/70/59/77/1194705977.db2.gz GFHUGHAOPNXSQR-UHFFFAOYSA-N 0 3 394.431 0.919 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)CN3C(=O)C(=O)N(C)C3=O)c2)CC1 ZINC000503775602 1194717359 /nfs/dbraw/zinc/71/73/59/1194717359.db2.gz IHYAFORNOLAECY-UHFFFAOYSA-N 0 3 387.440 0.576 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C[C@@H]1C[NH3+] ZINC000423121664 1194728780 /nfs/dbraw/zinc/72/87/80/1194728780.db2.gz AYYWQGJVARMOJF-ZBFHGGJFSA-N 0 3 388.468 0.120 20 0 GCADHN C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000423135148 1194733226 /nfs/dbraw/zinc/73/32/26/1194733226.db2.gz SWZLZDBSTYVJAN-HOCLYGCPSA-N 0 3 388.468 0.262 20 0 GCADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423322110 1194746857 /nfs/dbraw/zinc/74/68/57/1194746857.db2.gz NORBETBMYWOJKW-DARAHFNDSA-N 0 3 381.498 0.220 20 0 GCADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000423330109 1194749565 /nfs/dbraw/zinc/74/95/65/1194749565.db2.gz TXIQDTAXPICAEW-TWJWRFFLSA-N 0 3 399.488 0.359 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc2c1ccn(C)c2=O)CN1CCN(C)CC1 ZINC000504060286 1194750003 /nfs/dbraw/zinc/75/00/03/1194750003.db2.gz WZTPPFVNAXGWDU-OAHLLOKOSA-N 0 3 399.495 0.477 20 0 GCADHN CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)C1 ZINC000423439137 1194757589 /nfs/dbraw/zinc/75/75/89/1194757589.db2.gz VHNRAUOSNOZFIC-OWCLPIDISA-N 0 3 397.472 0.114 20 0 GCADHN COCCN(C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[C@H]1CC[C@H](C)C1 ZINC000423523942 1194762976 /nfs/dbraw/zinc/76/29/76/1194762976.db2.gz JACORGYBTQAOOG-XIRDDKMYSA-N 0 3 392.504 0.564 20 0 GCADHN CC(=O)N[C@@H](CC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)C(N)=O ZINC000504200061 1194763014 /nfs/dbraw/zinc/76/30/14/1194763014.db2.gz WOFYJQRQQZHABW-KRWDZBQOSA-N 0 3 375.473 0.536 20 0 GCADHN C[C@H]1COc2ccccc2CN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423558251 1194763700 /nfs/dbraw/zinc/76/37/00/1194763700.db2.gz CRRYKONORTXRHL-WMLDXEAASA-N 0 3 398.467 0.710 20 0 GCADHN CCC[C@]1(COC)CCCN1C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423566378 1194767675 /nfs/dbraw/zinc/76/76/75/1194767675.db2.gz ZEIHURGDHZDVKQ-VQIMIIECSA-N 0 3 392.504 0.708 20 0 GCADHN CS[C@H]1CCCCN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000423573817 1194768874 /nfs/dbraw/zinc/76/88/74/1194768874.db2.gz WJUQOQQOYKVCSK-CABCVRRESA-N 0 3 380.518 0.644 20 0 GCADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)CCS1 ZINC000423579955 1194769946 /nfs/dbraw/zinc/76/99/46/1194769946.db2.gz XFWZOVYHRRSMPQ-HUUCEWRRSA-N 0 3 380.518 0.500 20 0 GCADHN C[C@H]1CNCCN1C(=O)C(=O)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000423588239 1194771587 /nfs/dbraw/zinc/77/15/87/1194771587.db2.gz AXXYWIDCOZYYDC-SFHVURJKSA-N 0 3 387.528 0.083 20 0 GCADHN COc1cccc(OC)c1OC1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423604510 1194772474 /nfs/dbraw/zinc/77/24/74/1194772474.db2.gz GFPOMIJWAFDHOL-UHFFFAOYSA-N 0 3 391.468 0.896 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000504276487 1194773433 /nfs/dbraw/zinc/77/34/33/1194773433.db2.gz FFQLNLFVQFDWIW-INIZCTEOSA-N 0 3 383.518 0.579 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000423618878 1194774193 /nfs/dbraw/zinc/77/41/93/1194774193.db2.gz ZIDULBQIEXKFSR-UHFFFAOYSA-N 0 3 380.395 0.071 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000423618944 1194774280 /nfs/dbraw/zinc/77/42/80/1194774280.db2.gz ZNDKFYUWXJIEOW-UHFFFAOYSA-N 0 3 378.860 0.333 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000423600131 1194775486 /nfs/dbraw/zinc/77/54/86/1194775486.db2.gz AMLGFAZOXGRZFG-UHFFFAOYSA-N 0 3 382.867 0.945 20 0 GCADHN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000423601627 1194775545 /nfs/dbraw/zinc/77/55/45/1194775545.db2.gz CCYQWEQUFLNKJG-OAHLLOKOSA-N 0 3 377.420 0.370 20 0 GCADHN CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423631070 1194775833 /nfs/dbraw/zinc/77/58/33/1194775833.db2.gz ZLRWATMOQILUTQ-INIZCTEOSA-N 0 3 390.484 0.508 20 0 GCADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000423650425 1194779037 /nfs/dbraw/zinc/77/90/37/1194779037.db2.gz KSUKRVQEXPRMRQ-DLBZAZTESA-N 0 3 380.533 0.546 20 0 GCADHN C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423689023 1194786440 /nfs/dbraw/zinc/78/64/40/1194786440.db2.gz XUNUPPYXXVBVPZ-ZBFHGGJFSA-N 0 3 388.468 0.405 20 0 GCADHN CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000423733629 1194792265 /nfs/dbraw/zinc/79/22/65/1194792265.db2.gz CDECTYOGHNMCES-HNNXBMFYSA-N 0 3 375.473 0.339 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CN1C1CC1 ZINC000664368161 1194794107 /nfs/dbraw/zinc/79/41/07/1194794107.db2.gz QBNXKRITHARWNY-OLZOCXBDSA-N 0 3 382.490 0.051 20 0 GCADHN Cc1cccc(OC[C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)c1 ZINC000414762628 1194794223 /nfs/dbraw/zinc/79/42/23/1194794223.db2.gz WHGXVHTXQBUURP-KRWDZBQOSA-N 0 3 399.447 0.972 20 0 GCADHN C[C@@H](C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)S(C)(=O)=O ZINC000504524684 1194797103 /nfs/dbraw/zinc/79/71/03/1194797103.db2.gz FHYCJDMBTZDJFF-AWEZNQCLSA-N 0 3 381.498 0.562 20 0 GCADHN COc1ccc(CCN2C[C@H](C(=O)NC[C@@H]3CNCCO3)CC2=O)cc1OC ZINC000423994348 1194797241 /nfs/dbraw/zinc/79/72/41/1194797241.db2.gz SFFQCCMGUJTXCV-CVEARBPZSA-N 0 3 391.468 0.199 20 0 GCADHN O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)NC[C@@H]1CNCCO1 ZINC000423993090 1194797292 /nfs/dbraw/zinc/79/72/92/1194797292.db2.gz PTZZAQAHVZYXPP-KRWDZBQOSA-N 0 3 395.525 0.729 20 0 GCADHN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@H]1CNCCO1 ZINC000423991705 1194797301 /nfs/dbraw/zinc/79/73/01/1194797301.db2.gz MVVNGRNXSRNKQP-CVEARBPZSA-N 0 3 381.498 0.408 20 0 GCADHN CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423993602 1194797762 /nfs/dbraw/zinc/79/77/62/1194797762.db2.gz BAEKURDNUHNLHZ-LSDHHAIUSA-N 0 3 380.518 0.992 20 0 GCADHN CSCC[C@H](C(=O)NC[C@H]1CNCCO1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000423985459 1194798391 /nfs/dbraw/zinc/79/83/91/1194798391.db2.gz DMRDUDBGYYBZFS-APIJFGDWSA-N 0 3 383.514 0.388 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC[C@@H]1CNCCO1 ZINC000423998050 1194798716 /nfs/dbraw/zinc/79/87/16/1194798716.db2.gz ZGGSBMUPNLTOKY-MNOVXSKESA-N 0 3 395.403 0.477 20 0 GCADHN COc1cc(CN2CC[C@@H](NC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)C2)cc(OC)c1 ZINC000664382712 1194807889 /nfs/dbraw/zinc/80/78/89/1194807889.db2.gz ZTGGMLNRIMOAGS-MNEFBYGVSA-N 0 3 392.500 0.594 20 0 GCADHN CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NCCCCS(C)(=O)=O)cc1 ZINC000424538033 1194820517 /nfs/dbraw/zinc/82/05/17/1194820517.db2.gz DAKHDYMJNLZURS-MRXNPFEDSA-N 0 3 383.514 0.867 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(N)ccc2F)CC1 ZINC000414801601 1194826912 /nfs/dbraw/zinc/82/69/12/1194826912.db2.gz AHTWRDUAMKUCIB-UHFFFAOYSA-N 0 3 379.436 0.359 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 ZINC001269700913 1194828557 /nfs/dbraw/zinc/82/85/57/1194828557.db2.gz IVGKGOUPBPAQRD-IPELMVKDSA-N 0 3 389.500 0.122 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCN3)CC1 ZINC000414810114 1194828804 /nfs/dbraw/zinc/82/88/04/1194828804.db2.gz NMNRNBYHWGHQDB-UHFFFAOYSA-N 0 3 387.484 0.606 20 0 GCADHN Cc1cc(CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)on1 ZINC000505165560 1194829292 /nfs/dbraw/zinc/82/92/92/1194829292.db2.gz ZYIBTJYZDNBZIT-UHFFFAOYSA-N 0 3 387.396 0.707 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CSc2nncn2C(C)C)CC1 ZINC000505402594 1194837229 /nfs/dbraw/zinc/83/72/29/1194837229.db2.gz JUVGOMYFZZJIEL-UHFFFAOYSA-N 0 3 382.534 0.964 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000434491328 1194847970 /nfs/dbraw/zinc/84/79/70/1194847970.db2.gz BFVZOGVMXVVEFI-SOUVJXGZSA-N 0 3 388.530 0.978 20 0 GCADHN CCN1CCN(c2ccccc2CN2CCO[C@H](CN(C)CC(N)=O)C2)CC1 ZINC000434639431 1194857737 /nfs/dbraw/zinc/85/77/37/1194857737.db2.gz VXBZPXOBUWPNNK-LJQANCHMSA-N 0 3 389.544 0.446 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)OCC(=O)N2 ZINC000281378888 1194864994 /nfs/dbraw/zinc/86/49/94/1194864994.db2.gz GMOYKLAULSHHLT-DGCLKSJQSA-N 0 3 383.470 0.987 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CSCC(=O)N2CCOCC2)C[C@@H](C)O1 ZINC000434788274 1194870008 /nfs/dbraw/zinc/87/00/08/1194870008.db2.gz TZNXEADVSPHWPZ-HZPDHXFCSA-N 0 3 387.546 0.584 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000281704798 1194870384 /nfs/dbraw/zinc/87/03/84/1194870384.db2.gz WGARYZYMUIOIJE-INIZCTEOSA-N 0 3 383.514 0.904 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000664448842 1194871114 /nfs/dbraw/zinc/87/11/14/1194871114.db2.gz UBZUWYXGAKYGDY-DLBZAZTESA-N 0 3 383.537 0.291 20 0 GCADHN CCc1nc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)sc1C ZINC000434835554 1194873078 /nfs/dbraw/zinc/87/30/78/1194873078.db2.gz DFADWIRWUJTYPT-UHFFFAOYSA-N 0 3 393.513 0.719 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000434841160 1194873380 /nfs/dbraw/zinc/87/33/80/1194873380.db2.gz XJRVGQGQXOYNCG-GOEBONIOSA-N 0 3 393.488 0.779 20 0 GCADHN Cc1nc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)sc1C ZINC000434854013 1194874226 /nfs/dbraw/zinc/87/42/26/1194874226.db2.gz SKTXCLDRPFQLJC-CYBMUJFWSA-N 0 3 381.502 0.757 20 0 GCADHN COc1cc(CNC(=O)NCCN2CCN(C)C(C)(C)C2)ccc1OCCO ZINC000282144030 1194877567 /nfs/dbraw/zinc/87/75/67/1194877567.db2.gz HWLXCGDDACRBPJ-UHFFFAOYSA-N 0 3 394.516 0.892 20 0 GCADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000414860102 1194879577 /nfs/dbraw/zinc/87/95/77/1194879577.db2.gz CJYFUKLRMGPVGF-IUODEOHRSA-N 0 3 392.456 0.753 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000435047885 1194884823 /nfs/dbraw/zinc/88/48/23/1194884823.db2.gz JZAIADDBXAJBAX-INIZCTEOSA-N 0 3 390.532 0.698 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1=O ZINC000366620874 1194884849 /nfs/dbraw/zinc/88/48/49/1194884849.db2.gz KNPXPPUIYRKJPT-HRCADAONSA-N 0 3 394.516 0.722 20 0 GCADHN COc1cc(CN(C)[C@@H](C)CN2CCOCC2)cc(OC)c1OCC(N)=O ZINC000435058267 1194885808 /nfs/dbraw/zinc/88/58/08/1194885808.db2.gz LZNFAYNTFNNBAB-AWEZNQCLSA-N 0 3 381.473 0.720 20 0 GCADHN CSCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2CCn1ccnc1 ZINC001269897319 1194886429 /nfs/dbraw/zinc/88/64/29/1194886429.db2.gz RUYDBECYMXHLNM-ULQDDVLXSA-N 0 3 379.530 0.816 20 0 GCADHN CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000514607347 1194887204 /nfs/dbraw/zinc/88/72/04/1194887204.db2.gz VBWSTBRLKJKZOQ-AWEZNQCLSA-N 0 3 384.502 0.919 20 0 GCADHN C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000435214194 1194898945 /nfs/dbraw/zinc/89/89/45/1194898945.db2.gz RBZHHFSPWXJAIX-DJJJIMSYSA-N 0 3 392.456 0.149 20 0 GCADHN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000514748008 1194902797 /nfs/dbraw/zinc/90/27/97/1194902797.db2.gz VAINCYACQYKIEW-DOTOQJQBSA-N 0 3 376.501 0.590 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2c(C)nn(C(C)C)c2C)CC1=O ZINC000425314355 1194907268 /nfs/dbraw/zinc/90/72/68/1194907268.db2.gz JFHMDOHIXNWBCW-KRWDZBQOSA-N 0 3 393.532 0.919 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc3c(c2)OC(F)(F)O3)CC1=O ZINC000425309782 1194907631 /nfs/dbraw/zinc/90/76/31/1194907631.db2.gz DLWVNGZJVAORAV-CYBMUJFWSA-N 0 3 399.394 0.917 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cn1 ZINC000514787444 1194909162 /nfs/dbraw/zinc/90/91/62/1194909162.db2.gz ULLYZWXILKLWDN-MRXNPFEDSA-N 0 3 378.473 0.664 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC1=O ZINC000425318356 1194910154 /nfs/dbraw/zinc/91/01/54/1194910154.db2.gz OJRXGVKSFCDHJF-RYQLBKOJSA-N 0 3 375.469 0.791 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cn(C)nc2C2CCC2)CC1=O ZINC000425317961 1194910279 /nfs/dbraw/zinc/91/02/79/1194910279.db2.gz NUJQSWTVZGCDPF-HNNXBMFYSA-N 0 3 377.489 0.597 20 0 GCADHN Cc1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OCC(=O)N(C)C)c1 ZINC000514799977 1194911981 /nfs/dbraw/zinc/91/19/81/1194911981.db2.gz ZJGAZRDXGPYNJL-KBPBESRZSA-N 0 3 389.456 0.238 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C(C)=O)c(C)nc2C)CC1=O ZINC000425326626 1194912458 /nfs/dbraw/zinc/91/24/58/1194912458.db2.gz YOJSZHDSFFBBDQ-INIZCTEOSA-N 0 3 390.484 0.810 20 0 GCADHN CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)C[C@H]1O ZINC000435283803 1194912528 /nfs/dbraw/zinc/91/25/28/1194912528.db2.gz BICUTBAWGSYSDX-DTZQCDIJSA-N 0 3 380.493 0.437 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2Cc3c(cccc3C)O2)CC1=O ZINC000425321252 1194913673 /nfs/dbraw/zinc/91/36/73/1194913673.db2.gz ROMKFGSMBZECHZ-QAPCUYQASA-N 0 3 375.469 0.594 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ncccc2CSC)CC1=O ZINC000425323747 1194914248 /nfs/dbraw/zinc/91/42/48/1194914248.db2.gz VFZVLQULPURCTB-OAHLLOKOSA-N 0 3 380.514 0.854 20 0 GCADHN CC(C)Cc1nnc(NC(=O)CN(C)C(=O)[C@@H]2CN3CCN2CCC3)s1 ZINC000514825942 1194915535 /nfs/dbraw/zinc/91/55/35/1194915535.db2.gz VVRIFSWWENINFK-ZDUSSCGKSA-N 0 3 380.518 0.523 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccc(NC(C)=O)cc2)CC1=O ZINC000425326193 1194916095 /nfs/dbraw/zinc/91/60/95/1194916095.db2.gz YJBWISNMPNHBGG-SFHVURJKSA-N 0 3 390.484 0.483 20 0 GCADHN COC(=O)CC1CC(NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 ZINC000425337014 1194918217 /nfs/dbraw/zinc/91/82/17/1194918217.db2.gz MGYLWYVSUGFKJE-UHFFFAOYSA-N 0 3 396.465 0.762 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3cn(-c4cccc(Cl)c4F)nn3)CCN2C1=O ZINC000514873335 1194923736 /nfs/dbraw/zinc/92/37/36/1194923736.db2.gz NLCPYGQTVUMVQF-ONGXEEELSA-N 0 3 378.795 0.444 20 0 GCADHN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000514873231 1194923824 /nfs/dbraw/zinc/92/38/24/1194923824.db2.gz MAUJXCSLKXLUMD-BMFZPTHFSA-N 0 3 390.509 0.826 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NCc2cc(OC)ccc2OC)CC1 ZINC000283584024 1194925836 /nfs/dbraw/zinc/92/58/36/1194925836.db2.gz PEPCOKCCWDPBAO-UHFFFAOYSA-N 0 3 379.457 0.547 20 0 GCADHN COc1ccccc1N1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425376220 1194930373 /nfs/dbraw/zinc/93/03/73/1194930373.db2.gz VYUWAYPRBAGVDY-FUHWJXTLSA-N 0 3 386.496 0.896 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccc3c(c2)COC3)CC1=O ZINC000514932801 1194930557 /nfs/dbraw/zinc/93/05/57/1194930557.db2.gz DPQZOCCSBQUTJG-SFHVURJKSA-N 0 3 375.469 0.555 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)oc1C ZINC000425378724 1194931143 /nfs/dbraw/zinc/93/11/43/1194931143.db2.gz CBCJNABPUFJUHE-DLBZAZTESA-N 0 3 389.500 0.488 20 0 GCADHN N[C@H]1C[C@@H]2CN(CC(=O)NCC3(c4ccccc4)CCOCC3)CCN2C1=O ZINC000514949296 1194932895 /nfs/dbraw/zinc/93/28/95/1194932895.db2.gz DGZSKVULSZDOCK-MSOLQXFVSA-N 0 3 386.496 0.095 20 0 GCADHN CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)C2)n1 ZINC000425379289 1194933275 /nfs/dbraw/zinc/93/32/75/1194933275.db2.gz ALVAUAMCFVEINA-RRFJBIMHSA-N 0 3 390.488 0.394 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)CNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000514974936 1194933941 /nfs/dbraw/zinc/93/39/41/1194933941.db2.gz MSWQSAPLZHMHKP-KRWDZBQOSA-N 0 3 394.541 0.592 20 0 GCADHN CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)[C@H](C)C1 ZINC000425390539 1194941077 /nfs/dbraw/zinc/94/10/77/1194941077.db2.gz QWOCBGWYCDFHNE-LSTHTHJFSA-N 0 3 398.507 0.799 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCc3ccccc3C2)CC1 ZINC000515042888 1194941090 /nfs/dbraw/zinc/94/10/90/1194941090.db2.gz QEZQRAWBNMAHMB-LJQANCHMSA-N 0 3 398.507 0.726 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCc3ccccc3C2)CC1 ZINC000515042887 1194941290 /nfs/dbraw/zinc/94/12/90/1194941290.db2.gz QEZQRAWBNMAHMB-IBGZPJMESA-N 0 3 398.507 0.726 20 0 GCADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425392819 1194941688 /nfs/dbraw/zinc/94/16/88/1194941688.db2.gz CPBYUGFPCIMMCK-NJNPRVFISA-N 0 3 398.507 0.704 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(NC(C)=O)cc2OC)CC1 ZINC000435537310 1194941721 /nfs/dbraw/zinc/94/17/21/1194941721.db2.gz OVPDHUPLNWPIDQ-UHFFFAOYSA-N 0 3 391.472 0.346 20 0 GCADHN O=C(C(=O)N1[C@@H]2CC[C@H]1CNC(=O)C2)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425392054 1194942055 /nfs/dbraw/zinc/94/20/55/1194942055.db2.gz SSCKIGIPZAIZBL-ZSYWTGECSA-N 0 3 396.491 0.599 20 0 GCADHN NC(=O)CC1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425393763 1194942139 /nfs/dbraw/zinc/94/21/39/1194942139.db2.gz DTCUWACVURZTFT-RBUKOAKNSA-N 0 3 398.507 0.833 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000435560286 1194943426 /nfs/dbraw/zinc/94/34/26/1194943426.db2.gz MMFJQJMIJVDKOU-GOSISDBHSA-N 0 3 386.537 0.210 20 0 GCADHN CN(Cc1nncn1C)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425398592 1194949410 /nfs/dbraw/zinc/94/94/10/1194949410.db2.gz IRXSARMWQMSIEO-DLBZAZTESA-N 0 3 382.468 0.506 20 0 GCADHN C[C@@H](NCCN1CCCC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000515174660 1194953901 /nfs/dbraw/zinc/95/39/01/1194953901.db2.gz MUUHBFHUWSUGDK-OAHLLOKOSA-N 0 3 381.498 0.981 20 0 GCADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425407115 1194960833 /nfs/dbraw/zinc/96/08/33/1194960833.db2.gz VAPSQHZQRDDPNV-YRNRMSPPSA-N 0 3 395.500 0.357 20 0 GCADHN CCO[C@@H](C)c1noc(CN(C)C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)n1 ZINC000425406378 1194961227 /nfs/dbraw/zinc/96/12/27/1194961227.db2.gz STPDUVZTZDBGIL-MELADBBJSA-N 0 3 379.461 0.678 20 0 GCADHN O=C(CCc1nc(-c2nc[nH]n2)no1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000515323227 1194967102 /nfs/dbraw/zinc/96/71/02/1194967102.db2.gz WGAKRYVOAQUZSM-OAHLLOKOSA-N 0 3 397.439 0.323 20 0 GCADHN O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000515326239 1194967553 /nfs/dbraw/zinc/96/75/53/1194967553.db2.gz XRUIVXVUDGUODS-ZWKOTPCHSA-N 0 3 399.495 0.386 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)[C@@H](O)c1ccccc1Cl)C2 ZINC001270022839 1194970291 /nfs/dbraw/zinc/97/02/91/1194970291.db2.gz KFVBEJSEZFLKRU-INIZCTEOSA-N 0 3 381.860 0.375 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000515397833 1194972159 /nfs/dbraw/zinc/97/21/59/1194972159.db2.gz UTESZPYZQGAQCX-UHFFFAOYSA-N 0 3 392.500 0.922 20 0 GCADHN CN(CCCN1CCN(C)CC1)CC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000425419365 1194974145 /nfs/dbraw/zinc/97/41/45/1194974145.db2.gz KZSSMEWMFFEINY-UHFFFAOYSA-N 0 3 396.557 0.276 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCc2ccc(C)nc2)CC1 ZINC000515439523 1194975132 /nfs/dbraw/zinc/97/51/32/1194975132.db2.gz BALGBFGQDDHVGN-MRXNPFEDSA-N 0 3 375.517 0.439 20 0 GCADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H]1CCCO1 ZINC000515447227 1194975422 /nfs/dbraw/zinc/97/54/22/1194975422.db2.gz GICJZWYFCCYYTI-HZPDHXFCSA-N 0 3 376.505 0.762 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000425461862 1194984716 /nfs/dbraw/zinc/98/47/16/1194984716.db2.gz CTRUZDSWKYUYSP-QGZVFWFLSA-N 0 3 397.564 0.681 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)C[C@@H]21 ZINC000515598483 1194986408 /nfs/dbraw/zinc/98/64/08/1194986408.db2.gz OADTZIOBJGHYSG-NUJGCVRESA-N 0 3 393.509 0.920 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000425469784 1194986739 /nfs/dbraw/zinc/98/67/39/1194986739.db2.gz SQQWZUVFQZTVGU-CVEARBPZSA-N 0 3 377.493 0.567 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000425472698 1194988084 /nfs/dbraw/zinc/98/80/84/1194988084.db2.gz IFTQMMMCRIEENF-MOPGFXCFSA-N 0 3 396.509 0.616 20 0 GCADHN CN1CCN(CCC(=O)N2CC3(C2)SCC[C@H]3C(=O)N2CC=CC2)CC1 ZINC001270068103 1194993151 /nfs/dbraw/zinc/99/31/51/1194993151.db2.gz UCLNZVNHRUWHKD-INIZCTEOSA-N 0 3 378.542 0.356 20 0 GCADHN COCC(C)(C)N1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000425500011 1194993301 /nfs/dbraw/zinc/99/33/01/1194993301.db2.gz AGTNJXOYRBONNS-UHFFFAOYSA-N 0 3 398.529 0.705 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCN(C(C)=O)CC1 ZINC000515945220 1195012109 /nfs/dbraw/zinc/01/21/09/1195012109.db2.gz LJPHEOCTIDXFIM-UHFFFAOYSA-N 0 3 376.457 0.776 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000505841702 1195012521 /nfs/dbraw/zinc/01/25/21/1195012521.db2.gz XMNVWOVWDBSERR-RYUDHWBXSA-N 0 3 383.518 0.636 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000516008595 1195015152 /nfs/dbraw/zinc/01/51/52/1195015152.db2.gz LBGGQMLCNVURDZ-IPMKNSEASA-N 0 3 394.560 0.623 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)c3nncn3C)cc2)CC1 ZINC000516053479 1195018417 /nfs/dbraw/zinc/01/84/17/1195018417.db2.gz ZHISKWFMPJSQGF-HNNXBMFYSA-N 0 3 399.499 0.769 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2C[C@H](C)NC[C@@H]2C)C1 ZINC000505858266 1195023229 /nfs/dbraw/zinc/02/32/29/1195023229.db2.gz ZFSCBOOVRZKIME-HUBLWGQQSA-N 0 3 383.518 0.636 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC000505857875 1195023415 /nfs/dbraw/zinc/02/34/15/1195023415.db2.gz WMKSRWPNBUJJBH-UONOGXRCSA-N 0 3 384.502 0.088 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000516109470 1195024343 /nfs/dbraw/zinc/02/43/43/1195024343.db2.gz IQTKMRDZZRANGC-KRWDZBQOSA-N 0 3 378.517 0.979 20 0 GCADHN C[C@@H]1CN(Cc2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2)C[C@H](C)O1 ZINC000516194674 1195030758 /nfs/dbraw/zinc/03/07/58/1195030758.db2.gz RASQQLXLOTWHKI-WTLGNFPFSA-N 0 3 386.496 0.680 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)Nc2cnccc2N2CCN(C)CC2)cc1 ZINC000516207793 1195033204 /nfs/dbraw/zinc/03/32/04/1195033204.db2.gz LWLCIJMWEKIZPL-UHFFFAOYSA-N 0 3 389.481 0.994 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cnccc2N2CCN(C)CC2)C1 ZINC000516207894 1195033366 /nfs/dbraw/zinc/03/33/66/1195033366.db2.gz AFSKHVULIPJREH-HNNXBMFYSA-N 0 3 395.529 0.834 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000505879526 1195035779 /nfs/dbraw/zinc/03/57/79/1195035779.db2.gz JHDOQKRNSZWTOH-HZSPNIEDSA-N 0 3 397.497 0.724 20 0 GCADHN O=C(NCCC1CCN([C@@H]2CCCNC2=O)CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001270130693 1195038399 /nfs/dbraw/zinc/03/83/99/1195038399.db2.gz DVEIUEFIGPBMPV-WNRNVDISSA-N 0 3 379.501 0.535 20 0 GCADHN Cc1c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)nnn1C1CC[NH2+]CC1 ZINC000436854853 1195041621 /nfs/dbraw/zinc/04/16/21/1195041621.db2.gz HMRYMVOFDACMCZ-UHFFFAOYSA-N 0 3 398.467 0.815 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Cl ZINC000516316058 1195042399 /nfs/dbraw/zinc/04/23/99/1195042399.db2.gz ZFZKEUOVABFEHV-OCCSQVGLSA-N 0 3 394.859 0.836 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000516439437 1195051837 /nfs/dbraw/zinc/05/18/37/1195051837.db2.gz GRBXXUCLAPRVDY-MRXNPFEDSA-N 0 3 396.532 0.320 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(C(F)(F)F)nn1C)CN1CCN(C)CC1 ZINC000664595245 1195052691 /nfs/dbraw/zinc/05/26/91/1195052691.db2.gz NRJSCRPVKKEIAV-NSHDSACASA-N 0 3 390.410 0.377 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000288263640 1195055085 /nfs/dbraw/zinc/05/50/85/1195055085.db2.gz JXOMVOJGOMAMQR-QGZVFWFLSA-N 0 3 394.516 0.878 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC000516509818 1195060897 /nfs/dbraw/zinc/06/08/97/1195060897.db2.gz CPOGMYFVKFTWFX-AWEZNQCLSA-N 0 3 383.456 0.357 20 0 GCADHN COC(=O)c1cc(CNCCC(=O)N2CCN(c3ncccn3)CC2)cn1C ZINC000516513051 1195061073 /nfs/dbraw/zinc/06/10/73/1195061073.db2.gz KDLSPYLYJSMZGA-UHFFFAOYSA-N 0 3 386.456 0.430 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC000516509819 1195061177 /nfs/dbraw/zinc/06/11/77/1195061177.db2.gz CPOGMYFVKFTWFX-CQSZACIVSA-N 0 3 383.456 0.357 20 0 GCADHN COCCN(CCN(C)C)C(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000516573292 1195069080 /nfs/dbraw/zinc/06/90/80/1195069080.db2.gz YHVHSQDSEFFSJE-OAHLLOKOSA-N 0 3 379.461 0.214 20 0 GCADHN CC[C@H](C)NC(=O)CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000516589803 1195073639 /nfs/dbraw/zinc/07/36/39/1195073639.db2.gz SVGHMRRKRQXAOY-AWEZNQCLSA-N 0 3 384.521 0.413 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000032663604 1195077923 /nfs/dbraw/zinc/07/79/23/1195077923.db2.gz HSCFMPIYCFDGAX-AWEZNQCLSA-N 0 3 384.502 0.640 20 0 GCADHN O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000516629856 1195078947 /nfs/dbraw/zinc/07/89/47/1195078947.db2.gz ZVBUUITWIOONRT-HZPDHXFCSA-N 0 3 377.489 0.136 20 0 GCADHN CCOC(=O)c1cc(F)c(F)cc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516665268 1195083054 /nfs/dbraw/zinc/08/30/54/1195083054.db2.gz XEMPYGFFJWULGP-TVQRCGJNSA-N 0 3 382.367 0.917 20 0 GCADHN CSCc1noc(CCC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000437227261 1195083598 /nfs/dbraw/zinc/08/35/98/1195083598.db2.gz KWZOUNKQBFZCJJ-CYBMUJFWSA-N 0 3 383.518 0.924 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N(CCO)Cc2ccccc2)CC1(C)C ZINC000289038939 1195083752 /nfs/dbraw/zinc/08/37/52/1195083752.db2.gz JXVSMOZOOHVBBO-UHFFFAOYSA-N 0 3 376.501 0.150 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)N2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000437244806 1195087854 /nfs/dbraw/zinc/08/78/54/1195087854.db2.gz NSIUANRZXJSXHU-BRWVUGGUSA-N 0 3 386.562 0.920 20 0 GCADHN COC[C@]1(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCC[NH2+]1 ZINC000516750355 1195090061 /nfs/dbraw/zinc/09/00/61/1195090061.db2.gz OAOLFFSDOAPROB-LJQANCHMSA-N 0 3 376.457 0.628 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCNC(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000516787570 1195095884 /nfs/dbraw/zinc/09/58/84/1195095884.db2.gz ZBEODTIWPIJDHG-KGLIPLIRSA-N 0 3 379.848 0.023 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]2O)cc1)[C@@H]1CCCN(C)C1 ZINC000425801859 1195105341 /nfs/dbraw/zinc/10/53/41/1195105341.db2.gz DJZSTBLTTGMPSX-BRWVUGGUSA-N 0 3 388.468 0.431 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(-n4ncn(C)c4=O)cc3)[C@@H]2C1 ZINC000425813499 1195116139 /nfs/dbraw/zinc/11/61/39/1195116139.db2.gz ADKOXXUAVOMRCE-XJKSGUPXSA-N 0 3 384.440 0.062 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000516968358 1195118193 /nfs/dbraw/zinc/11/81/93/1195118193.db2.gz QWFHRAUZOPSYGD-INIZCTEOSA-N 0 3 377.452 0.899 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](c4nnc[nH]4)C3)c2)CC1 ZINC000425817401 1195118413 /nfs/dbraw/zinc/11/84/13/1195118413.db2.gz HIUKPYHXSBFZOE-HNNXBMFYSA-N 0 3 397.483 0.901 20 0 GCADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)[nH]n1 ZINC000516988803 1195120990 /nfs/dbraw/zinc/12/09/90/1195120990.db2.gz VLCSIWGYVANSRO-CRAIPNDOSA-N 0 3 390.532 0.392 20 0 GCADHN Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)[nH]n1 ZINC000516988805 1195121089 /nfs/dbraw/zinc/12/10/89/1195121089.db2.gz VLCSIWGYVANSRO-QAPCUYQASA-N 0 3 390.532 0.392 20 0 GCADHN Cc1nc(C)c(CCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)s1 ZINC000516987974 1195121474 /nfs/dbraw/zinc/12/14/74/1195121474.db2.gz NBRFVBLSRRLBJL-UHFFFAOYSA-N 0 3 381.546 0.561 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(S(C)(=O)=O)c3)[C@@H]2C1 ZINC000425823970 1195122757 /nfs/dbraw/zinc/12/27/57/1195122757.db2.gz XHEIYYDONIISDT-SMDDNHRTSA-N 0 3 383.445 0.720 20 0 GCADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cn1 ZINC000425820318 1195122985 /nfs/dbraw/zinc/12/29/85/1195122985.db2.gz NUEZIYXRZKAUFC-DZGCQCFKSA-N 0 3 391.472 0.672 20 0 GCADHN CCc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cnn1-c1ccc(OC)cc1 ZINC000516982182 1195123048 /nfs/dbraw/zinc/12/30/48/1195123048.db2.gz XBCCCTJEVJAVIE-YOEHRIQHSA-N 0 3 383.452 0.827 20 0 GCADHN Cc1cc(N2CCC(NC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)CC2)n[nH]1 ZINC000894339000 1195130617 /nfs/dbraw/zinc/13/06/17/1195130617.db2.gz XDLICVIESASODD-IAGOWNOFSA-N 0 3 376.505 0.928 20 0 GCADHN CS(=O)(=O)CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000425847171 1195134700 /nfs/dbraw/zinc/13/47/00/1195134700.db2.gz RZFYVIRWZRZUDR-MSOLQXFVSA-N 0 3 397.541 0.993 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCC(=O)N(C)C2=O)c1 ZINC000425842943 1195135419 /nfs/dbraw/zinc/13/54/19/1195135419.db2.gz IRVATUQKOQLLRO-MRXNPFEDSA-N 0 3 376.457 0.916 20 0 GCADHN CC(=O)N1CCC(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425867952 1195139817 /nfs/dbraw/zinc/13/98/17/1195139817.db2.gz SKUMTXQUMHCBGY-AZUAARDMSA-N 0 3 398.507 0.846 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)sc2nc3n(c(=O)c12)CCC3 ZINC000517176764 1195147013 /nfs/dbraw/zinc/14/70/13/1195147013.db2.gz RITUTIJZNXBDGC-WDEREUQCSA-N 0 3 387.465 0.097 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000425899769 1195158099 /nfs/dbraw/zinc/15/80/99/1195158099.db2.gz CYBMXFYFTZVGSJ-HNNXBMFYSA-N 0 3 392.475 0.701 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N2CCN(Cc3nc(COC)no3)CC2)C1(C)C ZINC000517234277 1195159754 /nfs/dbraw/zinc/15/97/54/1195159754.db2.gz DBBNLOBGDBBMDI-ACJLOTCBSA-N 0 3 381.477 0.393 20 0 GCADHN Cc1csc(-c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc2)n1 ZINC000517247183 1195162807 /nfs/dbraw/zinc/16/28/07/1195162807.db2.gz OHYXXAFFYJNDMG-CABCVRRESA-N 0 3 399.476 0.827 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCC3([S@](C)=O)CC3)CC2)C[C@@H](C)O1 ZINC000517264125 1195163808 /nfs/dbraw/zinc/16/38/08/1195163808.db2.gz OIWVGJXAEUGDSH-RHFKOARHSA-N 0 3 399.557 0.362 20 0 GCADHN COCCC(C)(C)CNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000517257128 1195165644 /nfs/dbraw/zinc/16/56/44/1195165644.db2.gz ZUJSSGBAEOJROZ-KRWDZBQOSA-N 0 3 382.549 0.792 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(c2cnccn2)CC1 ZINC000517286295 1195168572 /nfs/dbraw/zinc/16/85/72/1195168572.db2.gz UFZLFCBUNBSNPF-UHFFFAOYSA-N 0 3 398.467 0.834 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000414915870 1195169326 /nfs/dbraw/zinc/16/93/26/1195169326.db2.gz NIQWNEQQYJGXHR-SMDDNHRTSA-N 0 3 375.429 0.973 20 0 GCADHN CN1CCN(C(=O)CCNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000517295825 1195169721 /nfs/dbraw/zinc/16/97/21/1195169721.db2.gz XXNPHOYIBBRYIJ-UHFFFAOYSA-N 0 3 389.435 0.574 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1ccccc1OCCO)N1CCC[C@@H](C)C1 ZINC000506154949 1195170269 /nfs/dbraw/zinc/17/02/69/1195170269.db2.gz DEMSHMYXOQJTSU-CVEARBPZSA-N 0 3 377.485 0.911 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCOCCF)cc2)CC1 ZINC000664667101 1195172430 /nfs/dbraw/zinc/17/24/30/1195172430.db2.gz JPYUXBXMNXMUAS-UHFFFAOYSA-N 0 3 380.464 0.865 20 0 GCADHN CCN1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CC1=O ZINC000517347252 1195173958 /nfs/dbraw/zinc/17/39/58/1195173958.db2.gz JRXXETWWRQPVRZ-UHFFFAOYSA-N 0 3 378.517 0.840 20 0 GCADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)NCCOCCF)c2)CC1 ZINC000664668131 1195175105 /nfs/dbraw/zinc/17/51/05/1195175105.db2.gz ZPLBGCUEIYZEIN-UHFFFAOYSA-N 0 3 394.447 0.425 20 0 GCADHN NC[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000517371597 1195176353 /nfs/dbraw/zinc/17/63/53/1195176353.db2.gz BSBWIQRCAUEYPV-SFHVURJKSA-N 0 3 393.447 0.943 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000517451964 1195183781 /nfs/dbraw/zinc/18/37/81/1195183781.db2.gz ZZKARHJRCRSZHO-JKSUJKDBSA-N 0 3 385.534 0.303 20 0 GCADHN CCOC(=O)Cn1nc(C)c(CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1C ZINC000438111649 1195187345 /nfs/dbraw/zinc/18/73/45/1195187345.db2.gz WALIQKUNOBKREY-SFHVURJKSA-N 0 3 391.516 0.801 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000517563755 1195193643 /nfs/dbraw/zinc/19/36/43/1195193643.db2.gz LIBQXMBJHGBHOD-UHFFFAOYSA-N 0 3 376.482 0.862 20 0 GCADHN C[C@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H](C)C1 ZINC000517597691 1195197975 /nfs/dbraw/zinc/19/79/75/1195197975.db2.gz YXDZUMBWTOGDJM-HEHGZKQESA-N 0 3 394.497 0.461 20 0 GCADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H](C)C1 ZINC000517597706 1195198051 /nfs/dbraw/zinc/19/80/51/1195198051.db2.gz YXDZUMBWTOGDJM-ZENOOKHLSA-N 0 3 394.497 0.461 20 0 GCADHN COc1ccc([C@@H](CNC(=O)NC[C@H]2CC(C(N)=O)=NO2)N2CCCC2)cc1 ZINC000292419327 1195203377 /nfs/dbraw/zinc/20/33/77/1195203377.db2.gz ZQLUNORUYADXLP-NVXWUHKLSA-N 0 3 389.456 0.762 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2nnc(CCC(=O)OC)s2)CC1 ZINC000438334579 1195206284 /nfs/dbraw/zinc/20/62/84/1195206284.db2.gz YTHDBNAQDNINQB-CYBMUJFWSA-N 0 3 398.533 1.039 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)c2ccccc2O1 ZINC000517727496 1195209956 /nfs/dbraw/zinc/20/99/56/1195209956.db2.gz ARNNSBNANIGWSK-YOEHRIQHSA-N 0 3 389.452 0.802 20 0 GCADHN CC[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)c1nnc2n1CCCCC2 ZINC000469392813 1195210409 /nfs/dbraw/zinc/21/04/09/1195210409.db2.gz HDKFYJRGEHNNKK-LSDHHAIUSA-N 0 3 376.505 0.982 20 0 GCADHN COCCN(CCN(C)C)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 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1195315979 /nfs/dbraw/zinc/31/59/79/1195315979.db2.gz CXMUCHBQBZIFFT-UHFFFAOYSA-N 0 3 382.530 0.926 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000729434187 1195316039 /nfs/dbraw/zinc/31/60/39/1195316039.db2.gz SZVCBJFRFLUDDZ-CQSZACIVSA-N 0 3 395.481 0.400 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCCc1c[nH]c2ncccc12 ZINC000506574409 1195321285 /nfs/dbraw/zinc/32/12/85/1195321285.db2.gz ZTDWMWHJNVGSLL-UHFFFAOYSA-N 0 3 388.516 0.795 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000518715730 1195323884 /nfs/dbraw/zinc/32/38/84/1195323884.db2.gz NRIUABVCHNWBOA-NQYYFHDYSA-N 0 3 386.496 0.355 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCOCC2CCCC2)CC1 ZINC000518731572 1195325827 /nfs/dbraw/zinc/32/58/27/1195325827.db2.gz VOIOEVBSKDCQFC-KRWDZBQOSA-N 0 3 387.546 0.761 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000518802856 1195333345 /nfs/dbraw/zinc/33/33/45/1195333345.db2.gz WIVDGXXYCWRLNM-GJZGRUSLSA-N 0 3 377.464 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/nfs/dbraw/zinc/34/14/48/1195341448.db2.gz UHTRVIKVUNZEMP-UHFFFAOYSA-N 0 3 392.456 0.819 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)CCCCCCCO)C[C@@]2(F)C1=O ZINC001270523578 1195342105 /nfs/dbraw/zinc/34/21/05/1195342105.db2.gz MVRWADNVQIULEK-QZTJIDSGSA-N 0 3 375.460 0.982 20 0 GCADHN CCn1ncc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1C(F)(F)F ZINC000439762087 1195347458 /nfs/dbraw/zinc/34/74/58/1195347458.db2.gz AEOFRBPATNAZRN-UHFFFAOYSA-N 0 3 390.410 0.614 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cnn([C@H](C)C2CC2)c1)CN1CCN(C)CC1 ZINC000426499393 1195355561 /nfs/dbraw/zinc/35/55/61/1195355561.db2.gz QSXKCZLQKXDRTP-HUUCEWRRSA-N 0 3 376.505 0.792 20 0 GCADHN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000439874975 1195362320 /nfs/dbraw/zinc/36/23/20/1195362320.db2.gz CJBPMYREGVUYSU-VQIMIIECSA-N 0 3 376.457 0.793 20 0 GCADHN CC(C)O[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000653388884 1195365053 /nfs/dbraw/zinc/36/50/53/1195365053.db2.gz NZKWQYMTQIWBKL-SJORKVTESA-N 0 3 396.532 0.461 20 0 GCADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cn1C ZINC000519082348 1195368222 /nfs/dbraw/zinc/36/82/22/1195368222.db2.gz JWKQVENWEGLBGF-CYBMUJFWSA-N 0 3 383.518 0.340 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000298543680 1195372455 /nfs/dbraw/zinc/37/24/55/1195372455.db2.gz KFJPQMPHNSEKRL-IBGZPJMESA-N 0 3 378.448 0.440 20 0 GCADHN COCCNCC(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000519152299 1195374067 /nfs/dbraw/zinc/37/40/67/1195374067.db2.gz NFDHDYVJOMSZEQ-IBGZPJMESA-N 0 3 388.512 0.558 20 0 GCADHN COC[C@H](C)n1ccc(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)n1 ZINC000426552818 1195376177 /nfs/dbraw/zinc/37/61/77/1195376177.db2.gz APTVCQRZDGBEIG-HNNXBMFYSA-N 0 3 399.495 1.244 20 0 GCADHN COCCN(CCN(C)C)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000519184618 1195379768 /nfs/dbraw/zinc/37/97/68/1195379768.db2.gz AHPMKOQZGXJUFY-UHFFFAOYSA-N 0 3 377.445 0.780 20 0 GCADHN COCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000440091065 1195382527 /nfs/dbraw/zinc/38/25/27/1195382527.db2.gz JJZUIUMOIXTPFH-AWEZNQCLSA-N 0 3 380.445 0.007 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000519288516 1195389109 /nfs/dbraw/zinc/38/91/09/1195389109.db2.gz BRRGMDOZPNYQQK-CABCVRRESA-N 0 3 398.573 0.993 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000440239587 1195396002 /nfs/dbraw/zinc/39/60/02/1195396002.db2.gz DBWRVHVEOWNBFC-RTBURBONSA-N 0 3 382.549 0.835 20 0 GCADHN CCOC(=O)c1cccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000440268951 1195398577 /nfs/dbraw/zinc/39/85/77/1195398577.db2.gz HHAHPXPTFJEZIS-UHFFFAOYSA-N 0 3 390.484 0.898 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000440268418 1195398626 /nfs/dbraw/zinc/39/86/26/1195398626.db2.gz NBAOVMSQRBJWDB-UHFFFAOYSA-N 0 3 375.473 0.679 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000440270943 1195399531 /nfs/dbraw/zinc/39/95/31/1195399531.db2.gz LBLFJGZPYQJPIA-UHFFFAOYSA-N 0 3 399.499 0.361 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000440275109 1195399819 /nfs/dbraw/zinc/39/98/19/1195399819.db2.gz YQQJMFJCUFPHHQ-UHFFFAOYSA-N 0 3 386.456 0.771 20 0 GCADHN CC[C@@H](C)n1nc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1C ZINC000440287751 1195401940 /nfs/dbraw/zinc/40/19/40/1195401940.db2.gz VYJRUWWWMHENFU-OAHLLOKOSA-N 0 3 378.521 1.197 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCN(C)C(=O)[C@H]3C)c2)CC1 ZINC000440291551 1195402493 /nfs/dbraw/zinc/40/24/93/1195402493.db2.gz ARHXHBBSFUPCHV-OAHLLOKOSA-N 0 3 387.484 0.456 20 0 GCADHN C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1nnc2n1CCC2 ZINC000519409609 1195403519 /nfs/dbraw/zinc/40/35/19/1195403519.db2.gz CDYABGRLFHBKGI-UONOGXRCSA-N 0 3 377.493 0.527 20 0 GCADHN Cc1nc(Cn2nnc(C(=O)NCCCCN3C[C@H](C)O[C@@H](C)C3)c2C)no1 ZINC000426653993 1195416593 /nfs/dbraw/zinc/41/65/93/1195416593.db2.gz HHMFRDDZOQJYBJ-STQMWFEESA-N 0 3 391.476 0.945 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C(N)=O)c[nH]1)N(C)C ZINC001719862384 1195422264 /nfs/dbraw/zinc/42/22/64/1195422264.db2.gz NQKMGMDTNWPBJI-BFJAYTPKSA-N 0 3 375.473 0.562 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12)Cc1ccccc1 ZINC000550038109 1195422733 /nfs/dbraw/zinc/42/27/33/1195422733.db2.gz ZJOAUIPCUWRAQV-RCCFBDPRSA-N 0 3 386.496 0.545 20 0 GCADHN CC(C)N1CCN(c2ccc(C(=O)NCc3nnc4c(=O)[nH]ccn34)cc2)CC1 ZINC000894423600 1195423194 /nfs/dbraw/zinc/42/31/94/1195423194.db2.gz XZMAFFPEVZTUMY-UHFFFAOYSA-N 0 3 395.467 0.878 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000119648977 1195428177 /nfs/dbraw/zinc/42/81/77/1195428177.db2.gz OAHXWOXQFGJIAT-SJLPKXTDSA-N 0 3 376.501 0.762 20 0 GCADHN Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)C2)n(C)n1 ZINC000894461883 1195429703 /nfs/dbraw/zinc/42/97/03/1195429703.db2.gz DEZIIHYCKSSPKS-OKZBNKHCSA-N 0 3 390.532 0.938 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)CC1 ZINC000119879761 1195431184 /nfs/dbraw/zinc/43/11/84/1195431184.db2.gz PDAYIPMZBORFMW-YLJYHZDGSA-N 0 3 392.548 0.951 20 0 GCADHN CCN1C[C@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)CC1=O ZINC000110855231 1195431608 /nfs/dbraw/zinc/43/16/08/1195431608.db2.gz LDILXVXPVHPQPY-GOSISDBHSA-N 0 3 386.496 0.997 20 0 GCADHN CCN1C[C@@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)CC1=O ZINC000110855236 1195431653 /nfs/dbraw/zinc/43/16/53/1195431653.db2.gz LDILXVXPVHPQPY-SFHVURJKSA-N 0 3 386.496 0.997 20 0 GCADHN CN1CC[C@@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)CC1=O ZINC000110855140 1195431928 /nfs/dbraw/zinc/43/19/28/1195431928.db2.gz SZKWUAKFKUZWAU-GOSISDBHSA-N 0 3 386.496 0.997 20 0 GCADHN Cc1cc(NC(=O)CN[C@@H](C2CC2)C(C)(C)CO)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000550101969 1195436133 /nfs/dbraw/zinc/43/61/33/1195436133.db2.gz FOUNLASZDRMKQN-YOEHRIQHSA-N 0 3 398.529 0.876 20 0 GCADHN COc1cc(OC)cc(N2CC[C@H](N(C)CCC(=O)N3CCNCC3)C2=O)c1 ZINC000262042693 1195441730 /nfs/dbraw/zinc/44/17/30/1195441730.db2.gz HTYXIPDIIDMRDO-SFHVURJKSA-N 0 3 390.484 0.563 20 0 GCADHN Cc1ccc([C@H](CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)N(C)C)cc1 ZINC000049488536 1195450365 /nfs/dbraw/zinc/45/03/65/1195450365.db2.gz FPZXQSSSWXWJMM-HNNXBMFYSA-N 0 3 398.467 0.161 20 0 GCADHN CCOC(=O)Cn1cc(CN2CC[C@]3(CNC(=O)C3)C2)c(-c2cnn(C)c2)n1 ZINC000894592942 1195450404 /nfs/dbraw/zinc/45/04/04/1195450404.db2.gz MJBKCDIGFYZACA-IBGZPJMESA-N 0 3 386.456 0.559 20 0 GCADHN CS(=O)(=O)NCCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111559224 1195450811 /nfs/dbraw/zinc/45/08/11/1195450811.db2.gz USAZJUGFOIUBJL-UHFFFAOYSA-N 0 3 382.530 0.644 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCc1cn2ccsc2n1 ZINC000550171553 1195451977 /nfs/dbraw/zinc/45/19/77/1195451977.db2.gz IOZMKCFGNZJGJW-UHFFFAOYSA-N 0 3 378.502 0.108 20 0 GCADHN CCN1CCN(CCC(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000101683209 1195453847 /nfs/dbraw/zinc/45/38/47/1195453847.db2.gz WRKHMOVJNSYGGT-UHFFFAOYSA-N 0 3 384.484 0.955 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N[C@@H]1CNC(=O)C1 ZINC000440464545 1195458563 /nfs/dbraw/zinc/45/85/63/1195458563.db2.gz MMCIZQCOHOPWTE-HNNXBMFYSA-N 0 3 376.482 0.221 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCCc1nnc2n1CCCCC2)N1CCC[C@H](C)C1 ZINC000550203476 1195460409 /nfs/dbraw/zinc/46/04/09/1195460409.db2.gz RBFVWMYMPMEKOW-HOTGVXAUSA-N 0 3 390.532 0.900 20 0 GCADHN C[C@H](CCc1ccc(O)cc1)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000550208803 1195461041 /nfs/dbraw/zinc/46/10/41/1195461041.db2.gz AHZNKCJSOMTXRQ-MRXNPFEDSA-N 0 3 390.528 0.972 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000550238775 1195466678 /nfs/dbraw/zinc/46/66/78/1195466678.db2.gz BRUAOCVSVDKWFE-UHFFFAOYSA-N 0 3 392.475 0.763 20 0 GCADHN C[C@H](CNCC(=O)N(C)Cc1cnn(C)c1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001482312418 1195468824 /nfs/dbraw/zinc/46/88/24/1195468824.db2.gz FGYHNCYWMHJFFW-PVHWUHCKSA-N 0 3 389.500 0.238 20 0 GCADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894799771 1195472829 /nfs/dbraw/zinc/47/28/29/1195472829.db2.gz AJXHGJNUBIDNBR-BZUAXINKSA-N 0 3 388.534 0.041 20 0 GCADHN CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@H](C)S1(=O)=O ZINC000415219958 1195493762 /nfs/dbraw/zinc/49/37/62/1195493762.db2.gz NJERDNGWNYVCPP-WFASDCNBSA-N 0 3 395.481 0.531 20 0 GCADHN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000519590398 1195498604 /nfs/dbraw/zinc/49/86/04/1195498604.db2.gz ATSWCAZQDMARDG-OSMBCOQSSA-N 0 3 383.489 0.586 20 0 GCADHN CON1CCC(NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000925085877 1195507774 /nfs/dbraw/zinc/50/77/74/1195507774.db2.gz LYFOQELTBKCREP-UHFFFAOYSA-N 0 3 382.530 0.738 20 0 GCADHN CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000427324008 1195527795 /nfs/dbraw/zinc/52/77/95/1195527795.db2.gz JVIIMZUOXNOZJU-LJQANCHMSA-N 0 3 376.457 0.867 20 0 GCADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)c1cccnc1Cl)C2 ZINC001270767566 1195533296 /nfs/dbraw/zinc/53/32/96/1195533296.db2.gz MEUSUUDXGXNVJA-SFHVURJKSA-N 0 3 380.876 0.988 20 0 GCADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)c1ccc(Cl)nc1)C2 ZINC001270770849 1195537320 /nfs/dbraw/zinc/53/73/20/1195537320.db2.gz RKPDRHDPWRPKOH-SFHVURJKSA-N 0 3 380.876 0.988 20 0 GCADHN CC[C@H](C)N[C@@H](CNC(=O)N1CCN(S(=O)(=O)NC)CC1)c1ccco1 ZINC000664874671 1195539025 /nfs/dbraw/zinc/53/90/25/1195539025.db2.gz OHCUYWVOQSMXLN-KBPBESRZSA-N 0 3 387.506 0.500 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)CC1=O ZINC000427495759 1195543959 /nfs/dbraw/zinc/54/39/59/1195543959.db2.gz PVLFDUPNYLXXEX-LBPRGKRZSA-N 0 3 398.410 0.778 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC(=O)NCc2ccco2)CC1 ZINC000507689278 1195548698 /nfs/dbraw/zinc/54/86/98/1195548698.db2.gz RTCYTTVNKYENSS-UHFFFAOYSA-N 0 3 379.461 0.091 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 ZINC000427538348 1195549986 /nfs/dbraw/zinc/54/99/86/1195549986.db2.gz WWKZMAYPRWGQIJ-UHFFFAOYSA-N 0 3 391.472 0.548 20 0 GCADHN C[C@@H](NCCOc1ccc(S(N)(=O)=O)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000280787248 1195551047 /nfs/dbraw/zinc/55/10/47/1195551047.db2.gz UCPZUVXPRGTIEU-GFCCVEGCSA-N 0 3 399.494 0.711 20 0 GCADHN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)s1 ZINC000664897186 1195552908 /nfs/dbraw/zinc/55/29/08/1195552908.db2.gz XISSDHCKXLLKOE-RHYQMDGZSA-N 0 3 384.506 0.380 20 0 GCADHN Cc1c(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)sc2nccn12 ZINC001270803407 1195555252 /nfs/dbraw/zinc/55/52/52/1195555252.db2.gz AHDMLZCNHBIJDB-UHFFFAOYSA-N 0 3 377.470 0.319 20 0 GCADHN NC(=O)COc1cccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000440513275 1195558236 /nfs/dbraw/zinc/55/82/36/1195558236.db2.gz LZQKERILZYNHJF-OAQYLSRUSA-N 0 3 383.448 0.918 20 0 GCADHN COCCO[C@H]1COCC[C@H]1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000519621683 1195558794 /nfs/dbraw/zinc/55/87/94/1195558794.db2.gz RCAWSQGDOSSMAI-NXHRZFHOSA-N 0 3 385.505 0.702 20 0 GCADHN COCCO[C@H]1COCC[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000519621679 1195558851 /nfs/dbraw/zinc/55/88/51/1195558851.db2.gz RCAWSQGDOSSMAI-NJAFHUGGSA-N 0 3 385.505 0.702 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(CCC(F)(F)F)cc3)CCN2C1=O ZINC000519656874 1195560426 /nfs/dbraw/zinc/56/04/26/1195560426.db2.gz VTDWLOHBYKLIKN-ZIAGYGMSSA-N 0 3 398.385 0.890 20 0 GCADHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519644925 1195561675 /nfs/dbraw/zinc/56/16/75/1195561675.db2.gz IWOGKBHDYUIXGS-PBWTXFEYSA-N 0 3 398.507 0.833 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000519675869 1195562333 /nfs/dbraw/zinc/56/23/33/1195562333.db2.gz YWUYMYQMTKYKIK-RDJZCZTQSA-N 0 3 393.532 0.787 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000519675869 1195562335 /nfs/dbraw/zinc/56/23/35/1195562335.db2.gz YWUYMYQMTKYKIK-RDJZCZTQSA-N 0 3 393.532 0.787 20 0 GCADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCCOC1CCOCC1 ZINC000519717246 1195567035 /nfs/dbraw/zinc/56/70/35/1195567035.db2.gz ZTTDXZUJOOPMGM-GOSISDBHSA-N 0 3 375.469 0.773 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4nc(C5CC5)oc4c3)CCN2C1=O ZINC000519770735 1195568892 /nfs/dbraw/zinc/56/88/92/1195568892.db2.gz JTEUMWNSMWAIFK-OLZOCXBDSA-N 0 3 383.408 0.414 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)Cc3csc(NC(=O)c4ccco4)n3)CCN2C1=O ZINC000519835931 1195575026 /nfs/dbraw/zinc/57/50/26/1195575026.db2.gz ZKNRNNGYJOKVTJ-NEPJUHHUSA-N 0 3 389.437 0.301 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000519861168 1195578835 /nfs/dbraw/zinc/57/88/35/1195578835.db2.gz KULPJLNLCZIHLM-INIZCTEOSA-N 0 3 398.529 0.905 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000507733134 1195592404 /nfs/dbraw/zinc/59/24/04/1195592404.db2.gz PTINOVFGZKMXIG-UHFFFAOYSA-N 0 3 394.491 0.807 20 0 GCADHN CN1CCN(CCNC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1(C)C ZINC000440987579 1195594027 /nfs/dbraw/zinc/59/40/27/1195594027.db2.gz WSOUDTDHAQMFQU-CYBMUJFWSA-N 0 3 393.454 0.722 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000520083057 1195594889 /nfs/dbraw/zinc/59/48/89/1195594889.db2.gz ILDGPPGSOSSGNX-KBPBESRZSA-N 0 3 396.513 0.770 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000441021660 1195598063 /nfs/dbraw/zinc/59/80/63/1195598063.db2.gz BCWZACSHFQIFAX-UHFFFAOYSA-N 0 3 396.580 0.302 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)CN2CCCS2(=O)=O)CC1 ZINC000129456756 1195603324 /nfs/dbraw/zinc/60/33/24/1195603324.db2.gz JCXYWHLBZWKADZ-UHFFFAOYSA-N 0 3 394.541 0.476 20 0 GCADHN COc1cc(CNCCNC(=O)c2cnccn2)cc(Cl)c1OCC(N)=O ZINC000520218627 1195607649 /nfs/dbraw/zinc/60/76/49/1195607649.db2.gz NKPBVANWZXNGNC-UHFFFAOYSA-N 0 3 393.831 0.522 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[S@](=O)C3)cc2)CC1 ZINC000441217359 1195610470 /nfs/dbraw/zinc/61/04/70/1195610470.db2.gz ICFJAKGXJUORHB-CRYYWNKWSA-N 0 3 392.525 0.400 20 0 GCADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000441225882 1195614513 /nfs/dbraw/zinc/61/45/13/1195614513.db2.gz FHSJTMKJOWWWEU-YHAMSUFESA-N 0 3 395.550 0.854 20 0 GCADHN COC(=O)[C@H](O)C1CCN(C[C@H](O)COc2c(OC)cccc2OC)CC1 ZINC000441232086 1195614724 /nfs/dbraw/zinc/61/47/24/1195614724.db2.gz XPYDINAHHDJWBL-WMLDXEAASA-N 0 3 383.441 0.689 20 0 GCADHN COc1ncc(Cl)cc1C(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001270844675 1195617891 /nfs/dbraw/zinc/61/78/91/1195617891.db2.gz RUBJIIMWTRNGSK-UHFFFAOYSA-N 0 3 382.848 0.359 20 0 GCADHN CO[C@@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H](C)C1 ZINC000441380359 1195629472 /nfs/dbraw/zinc/62/94/72/1195629472.db2.gz QPUSFWSBGQVIBV-HUUCEWRRSA-N 0 3 387.488 0.511 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000550325018 1195629515 /nfs/dbraw/zinc/62/95/15/1195629515.db2.gz ONMVZRTYLZTGMC-UHFFFAOYSA-N 0 3 394.560 0.986 20 0 GCADHN C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000520425460 1195632977 /nfs/dbraw/zinc/63/29/77/1195632977.db2.gz WZIXRJSGDUJSHJ-XBFCOCLRSA-N 0 3 378.429 0.101 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)N1CCCCC1 ZINC000550365021 1195644470 /nfs/dbraw/zinc/64/44/70/1195644470.db2.gz RFGIZSZIQYRHAZ-HNNXBMFYSA-N 0 3 379.505 0.430 20 0 GCADHN CCN1CCN(CCNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000112917934 1195645443 /nfs/dbraw/zinc/64/54/43/1195645443.db2.gz PRTNZUMXMJXOFU-UHFFFAOYSA-N 0 3 396.557 0.726 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1F ZINC000550372577 1195646067 /nfs/dbraw/zinc/64/60/67/1195646067.db2.gz KPIFRJVQUXXBHY-AWEZNQCLSA-N 0 3 390.459 0.747 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000507746321 1195650827 /nfs/dbraw/zinc/65/08/27/1195650827.db2.gz BUVATUMJXCIHPD-UHFFFAOYSA-N 0 3 390.484 0.898 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C(C)C)N1CCN(C)CC1 ZINC000550383748 1195651378 /nfs/dbraw/zinc/65/13/78/1195651378.db2.gz RYWHLHVYUJIJQI-ROUUACIJSA-N 0 3 381.565 0.173 20 0 GCADHN CCc1c(C(=O)N2CC[C@H](N3CCCCC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000328692353 1195660829 /nfs/dbraw/zinc/66/08/29/1195660829.db2.gz RPMBKOMYQTXANG-AWEZNQCLSA-N 0 3 399.495 0.895 20 0 GCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCO[C@H]3CCN(C)C[C@@H]31)C2=O ZINC000328999910 1195685406 /nfs/dbraw/zinc/68/54/06/1195685406.db2.gz GPDFRJJMBCMRKR-QZNHQWIBSA-N 0 3 378.473 0.623 20 0 GCADHN CCCN(CC)CCn1c([C@@H]2CCOC2)nnc1N1CCS(=O)(=O)CC1 ZINC001709718536 1195686041 /nfs/dbraw/zinc/68/60/41/1195686041.db2.gz ADORQESUMOEQQQ-OAHLLOKOSA-N 0 3 385.534 0.749 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000665009217 1195711116 /nfs/dbraw/zinc/71/11/16/1195711116.db2.gz KTZCXKYZLMQOOV-INIZCTEOSA-N 0 3 397.545 0.546 20 0 GCADHN CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000729493884 1195712293 /nfs/dbraw/zinc/71/22/93/1195712293.db2.gz BRGVUOKHMBEJKZ-IAGOWNOFSA-N 0 3 396.513 0.398 20 0 GCADHN Cc1nc(CN2CCN(S(=O)(=O)c3ccc(CN(C)C)cc3)CC2)no1 ZINC000331023969 1195715859 /nfs/dbraw/zinc/71/58/59/1195715859.db2.gz URAWSOLPHMUGGO-UHFFFAOYSA-N 0 3 379.486 0.946 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000331295672 1195728215 /nfs/dbraw/zinc/72/82/15/1195728215.db2.gz YRZBYPDIIQGZNN-INIZCTEOSA-N 0 3 383.514 0.760 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H](CC)CNS(C)(=O)=O ZINC000458953945 1195732977 /nfs/dbraw/zinc/73/29/77/1195732977.db2.gz JSSYFFXXTGIQJE-MRXNPFEDSA-N 0 3 391.582 0.373 20 0 GCADHN CN1CCN(CCNC(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1(C)C ZINC000334032919 1195735119 /nfs/dbraw/zinc/73/51/19/1195735119.db2.gz ZOJYFPXLIJUFON-GJZGRUSLSA-N 0 3 389.566 0.172 20 0 GCADHN C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2cnc[n-]c2=O)CC[N@@H+]1C ZINC000983830138 1195738872 /nfs/dbraw/zinc/73/88/72/1195738872.db2.gz ZZXUHHFBNCCGKG-APIJFGDWSA-N 0 3 375.473 0.879 20 0 GCADHN C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2cnc[n-]c2=O)CC[N@H+]1C ZINC000983830138 1195738875 /nfs/dbraw/zinc/73/88/75/1195738875.db2.gz ZZXUHHFBNCCGKG-APIJFGDWSA-N 0 3 375.473 0.879 20 0 GCADHN CS(=O)(=O)Nc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000729495377 1195738969 /nfs/dbraw/zinc/73/89/69/1195738969.db2.gz ZIIKKHVNLOTJKH-HOTGVXAUSA-N 0 3 382.486 0.721 20 0 GCADHN CCN1CCN(CCCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000189023684 1195742289 /nfs/dbraw/zinc/74/22/89/1195742289.db2.gz AGTZYQOFVKXGFH-MOPGFXCFSA-N 0 3 392.544 0.571 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000729495716 1195742839 /nfs/dbraw/zinc/74/28/39/1195742839.db2.gz HKRWSNDFWQFXJX-CVEARBPZSA-N 0 3 396.513 0.436 20 0 GCADHN CS(=O)(=O)Nc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000729497131 1195745382 /nfs/dbraw/zinc/74/53/82/1195745382.db2.gz LURCIYQSRUDHLQ-HZPDHXFCSA-N 0 3 382.486 0.721 20 0 GCADHN C[C@H](O)CN1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000252353179 1195747551 /nfs/dbraw/zinc/74/75/51/1195747551.db2.gz SBDHSUAWCSYEKI-ROUUACIJSA-N 0 3 375.517 0.507 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCc3ccc(N4CCCCCC4)nc3)CCN2C1=O ZINC000579377039 1195747608 /nfs/dbraw/zinc/74/76/08/1195747608.db2.gz NVOGUIAECBXYFT-IRXDYDNUSA-N 0 3 386.500 0.915 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)CCN2C1=O ZINC000579377614 1195748947 /nfs/dbraw/zinc/74/89/47/1195748947.db2.gz UAVNDRXDUAIMAC-BZUAXINKSA-N 0 3 387.440 0.580 20 0 GCADHN CO[C@@H]1COCC[C@H]1CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000459000966 1195749742 /nfs/dbraw/zinc/74/97/42/1195749742.db2.gz KZDJYTSPHJYJBI-NLWGTHIKSA-N 0 3 377.485 0.974 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000550413004 1195753570 /nfs/dbraw/zinc/75/35/70/1195753570.db2.gz PWSYUGOKRIIWNB-AEFFLSMTSA-N 0 3 376.501 0.112 20 0 GCADHN CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCNC(=O)C1CC1)N(C)C ZINC001719866950 1195753895 /nfs/dbraw/zinc/75/38/95/1195753895.db2.gz LVPAAYVRGZQOHX-QZWWFDLISA-N 0 3 378.517 0.881 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)CN1CCOCC1 ZINC000550413787 1195754488 /nfs/dbraw/zinc/75/44/88/1195754488.db2.gz ZDFNURAEIHCNAC-PKOBYXMFSA-N 0 3 390.528 0.360 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)Cc1ccccc1 ZINC000550415287 1195757230 /nfs/dbraw/zinc/75/72/30/1195757230.db2.gz JXXBLCFHHUVPBD-LQWHRVPQSA-N 0 3 389.496 0.730 20 0 GCADHN O=C(CCN1CCN(C(=O)Cc2ccccc2Cl)CC1)N1CCNCC1 ZINC000262102306 1195758804 /nfs/dbraw/zinc/75/88/04/1195758804.db2.gz MEGMXEMOEQUKMU-UHFFFAOYSA-N 0 3 378.904 0.849 20 0 GCADHN CN(C)c1nccc(CNC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)n1 ZINC000550415827 1195760532 /nfs/dbraw/zinc/76/05/32/1195760532.db2.gz ZDUURVVIRCGGDQ-QGZVFWFLSA-N 0 3 384.484 0.448 20 0 GCADHN O=C(NCCNS(=O)(=O)c1ccccc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729502274 1195768137 /nfs/dbraw/zinc/76/81/37/1195768137.db2.gz RUACVUUZSZISMA-LSDHHAIUSA-N 0 3 382.486 0.127 20 0 GCADHN C[C@@H]1CCN(C(=O)NCCOCCS(N)(=O)=O)CCN1Cc1ccccc1 ZINC000665101769 1195776214 /nfs/dbraw/zinc/77/62/14/1195776214.db2.gz MABPSVKWVSVORP-MRXNPFEDSA-N 0 3 398.529 0.598 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N2CCN(C3CCC(C)CC3)CC2)nn1 ZINC000441535865 1195780237 /nfs/dbraw/zinc/78/02/37/1195780237.db2.gz VQRMJNRDSIXXAS-UHFFFAOYSA-N 0 3 378.477 0.857 20 0 GCADHN CCO[C@H]1C[C@@](N)(C(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)C1(C)C ZINC000520576419 1195791007 /nfs/dbraw/zinc/79/10/07/1195791007.db2.gz CEOWAYGSXLBHHG-MAUKXSAKSA-N 0 3 399.513 0.534 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C(=O)OC)c(OC)c2)CC1 ZINC000280823627 1195792197 /nfs/dbraw/zinc/79/21/97/1195792197.db2.gz VBUAKWAPEIACGX-UHFFFAOYSA-N 0 3 392.456 0.174 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCNC(=O)OC(C)(C)C ZINC000067419707 1195796944 /nfs/dbraw/zinc/79/69/44/1195796944.db2.gz XXNZSTWYNYVGNC-CQSZACIVSA-N 0 3 385.509 0.753 20 0 GCADHN COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 ZINC000614611673 1195797486 /nfs/dbraw/zinc/79/74/86/1195797486.db2.gz QGVWOZYNQYMHJY-GDBMZVCRSA-N 0 3 384.502 0.330 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000427601567 1195797649 /nfs/dbraw/zinc/79/76/49/1195797649.db2.gz LSQJVRONSZDVKD-AWEZNQCLSA-N 0 3 394.501 0.072 20 0 GCADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000441624820 1195799484 /nfs/dbraw/zinc/79/94/84/1195799484.db2.gz XFHZDDHBYDXGAK-CYBMUJFWSA-N 0 3 381.444 0.217 20 0 GCADHN O=C(NCC1N=NC(=O)N1C1CC1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001687395959 1195801394 /nfs/dbraw/zinc/80/13/94/1195801394.db2.gz NDLDORFIIIZXQN-LJQANCHMSA-N 0 3 386.456 0.755 20 0 GCADHN CCN(CC)C[C@@H](F)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nnc[nH]1)C2 ZINC001719886144 1195803510 /nfs/dbraw/zinc/80/35/10/1195803510.db2.gz RXIXEONYSXXHFZ-TUVASFSCSA-N 0 3 380.468 0.665 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000184203102 1195817982 /nfs/dbraw/zinc/81/79/82/1195817982.db2.gz MGFGIDXLSMUAHS-IYBDPMFKSA-N 0 3 378.517 0.694 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000027768208 1195856764 /nfs/dbraw/zinc/85/67/64/1195856764.db2.gz QIOLGFWSQFUPQN-CQSZACIVSA-N 0 3 385.486 0.905 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)NCC3(CCO)CC3)cn2)CC1 ZINC000427807559 1195880031 /nfs/dbraw/zinc/88/00/31/1195880031.db2.gz USZVWUSWNDFYOE-UHFFFAOYSA-N 0 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GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1(C)C ZINC000443119394 1196020973 /nfs/dbraw/zinc/02/09/73/1196020973.db2.gz RPAPFJBTLFNFCU-UHFFFAOYSA-N 0 3 379.436 0.005 20 0 GCADHN CC(C)CCn1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)n1 ZINC000443122102 1196021581 /nfs/dbraw/zinc/02/15/81/1196021581.db2.gz ZSGNWRLFKWJJKA-UHFFFAOYSA-N 0 3 378.521 1.010 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc(-c3nnco3)c2)CC1(C)C ZINC000443125933 1196021944 /nfs/dbraw/zinc/02/19/44/1196021944.db2.gz GWAJUQITDNQESV-UHFFFAOYSA-N 0 3 386.456 0.817 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000191068300 1196026147 /nfs/dbraw/zinc/02/61/47/1196026147.db2.gz LRHCJNYRSHVXRS-UHFFFAOYSA-N 0 3 394.541 0.596 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cn(C(C)(C)C)nc2C)CC1=O ZINC000521942622 1196027461 /nfs/dbraw/zinc/02/74/61/1196027461.db2.gz UISIRAMQJYNHGM-OAHLLOKOSA-N 0 3 379.505 0.855 20 0 GCADHN CCN(C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1)[C@@H]1CCNC1=O ZINC000443256929 1196031849 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0.015 20 0 GCADHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000443331526 1196039157 /nfs/dbraw/zinc/03/91/57/1196039157.db2.gz VYJNVDBQFWPMLG-IKGGRYGDSA-N 0 3 382.549 0.527 20 0 GCADHN COC[C@](C)(O)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000522118766 1196045097 /nfs/dbraw/zinc/04/50/97/1196045097.db2.gz MGJXBCANLHCJII-HXUWFJFHSA-N 0 3 378.517 0.891 20 0 GCADHN C[C@H](CNC(=O)N1CCN(CCS(N)(=O)=O)CC1)N(C)Cc1ccccc1 ZINC000443436795 1196047800 /nfs/dbraw/zinc/04/78/00/1196047800.db2.gz KPQHRSBJFSMMEZ-MRXNPFEDSA-N 0 3 397.545 0.123 20 0 GCADHN CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(CCCN2C(=O)CNC2=O)[C@@H]1CC ZINC001087608732 1196052534 /nfs/dbraw/zinc/05/25/34/1196052534.db2.gz AXMGQKXZAGTNNS-DLTWYDFYSA-N 0 3 380.489 0.713 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCC(F)(F)F)C2)O1 ZINC001112166505 1196052631 /nfs/dbraw/zinc/05/26/31/1196052631.db2.gz XDZDAXWSSWLMAQ-DOLQZWNJSA-N 0 3 391.312 0.951 20 0 GCADHN Cn1nccc1[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CCO1 ZINC000895214977 1196055144 /nfs/dbraw/zinc/05/51/44/1196055144.db2.gz JKPPYWKCWWIVKP-HPFXQQBRSA-N 0 3 377.489 0.881 20 0 GCADHN Cn1nccc1[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CCO1 ZINC000895214973 1196055180 /nfs/dbraw/zinc/05/51/80/1196055180.db2.gz JKPPYWKCWWIVKP-CVYDXHPNSA-N 0 3 377.489 0.881 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000522188824 1196058083 /nfs/dbraw/zinc/05/80/83/1196058083.db2.gz RRQCCPKTPLQPDG-XJKSGUPXSA-N 0 3 397.545 0.980 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCN1CCN1CCNC1=O ZINC001087669803 1196058104 /nfs/dbraw/zinc/05/81/04/1196058104.db2.gz QSVLTBAHZOOSRN-SMLCLMEVSA-N 0 3 380.489 0.032 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCN1CCn1nc(C)nc1C ZINC001087669911 1196058249 /nfs/dbraw/zinc/05/82/49/1196058249.db2.gz XOHLZDALPQTWHQ-LTFXXXRZSA-N 0 3 391.516 0.916 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)cn1C ZINC000443482027 1196059913 /nfs/dbraw/zinc/05/99/13/1196059913.db2.gz GXZGVHVVSQZWHT-RDJZCZTQSA-N 0 3 399.513 0.858 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000522215888 1196061765 /nfs/dbraw/zinc/06/17/65/1196061765.db2.gz XZAGISNTIMEFSF-AWEZNQCLSA-N 0 3 397.497 0.679 20 0 GCADHN COCCn1cc(S(=O)(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000443495386 1196061866 /nfs/dbraw/zinc/06/18/66/1196061866.db2.gz XMPRUVQMQYXQKS-SJORKVTESA-N 0 3 386.518 0.576 20 0 GCADHN CC(C)[C@@H](CNC(=O)N1CCN(Cc2ncc[nH]2)CC1)N1CCN(C)CC1 ZINC000522219944 1196062518 /nfs/dbraw/zinc/06/25/18/1196062518.db2.gz POCCTPTXJUQGOD-QGZVFWFLSA-N 0 3 377.537 0.509 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1Cc1ccc(CO)cc1 ZINC001087724302 1196066816 /nfs/dbraw/zinc/06/68/16/1196066816.db2.gz HPVUZQOCEIEPGN-XWTMOSNGSA-N 0 3 375.469 0.681 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CCN1CCN1C(=O)CNC1=O ZINC001087735531 1196069815 /nfs/dbraw/zinc/06/98/15/1196069815.db2.gz QEFKVPMPEDJVDV-XUWVNRHRSA-N 0 3 388.472 0.045 20 0 GCADHN CC(C)(O)CN1CCN(C(=O)NCc2nc(COc3ccccc3)n[nH]2)CC1 ZINC000474091040 1196070527 /nfs/dbraw/zinc/07/05/27/1196070527.db2.gz ZIHLTYCLRYQURC-UHFFFAOYSA-N 0 3 388.472 0.982 20 0 GCADHN COc1ccc(C(=O)N2CCC(NC(=O)COC3CNC3)CC2)c(OC)c1 ZINC000429688389 1196076267 /nfs/dbraw/zinc/07/62/67/1196076267.db2.gz BIAALPSLTKIFTB-UHFFFAOYSA-N 0 3 377.441 0.413 20 0 GCADHN COc1cc(OC)cc(C(=O)N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)c1 ZINC000429681695 1196076325 /nfs/dbraw/zinc/07/63/25/1196076325.db2.gz WOAXXFPIGAPCHE-MRXNPFEDSA-N 0 3 391.468 0.757 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000550534592 1196078685 /nfs/dbraw/zinc/07/86/85/1196078685.db2.gz GNNUCHHHIDPPNT-UHFFFAOYSA-N 0 3 390.528 0.934 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CN1C1CC1 ZINC000550582042 1196093692 /nfs/dbraw/zinc/09/36/92/1196093692.db2.gz LMUOKQVKNAAEIR-KLHDSHLOSA-N 0 3 380.533 0.732 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000550582038 1196093749 /nfs/dbraw/zinc/09/37/49/1196093749.db2.gz LMUOKQVKNAAEIR-CAOSSQGBSA-N 0 3 380.533 0.732 20 0 GCADHN CN(C)CCn1nnnc1SCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840191451 1196094950 /nfs/dbraw/zinc/09/49/50/1196094950.db2.gz FLPDAGCSXKGSKV-UHFFFAOYSA-N 0 3 385.538 0.880 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)CC1=O ZINC000114178952 1196095800 /nfs/dbraw/zinc/09/58/00/1196095800.db2.gz JJMWCMYERBJYKD-FUHWJXTLSA-N 0 3 386.496 0.403 20 0 GCADHN CN1CCN([C@H](CNC(=O)C2CN([C@H]3CCOC3)C2)c2cccs2)CC1 ZINC000895468849 1196097379 /nfs/dbraw/zinc/09/73/79/1196097379.db2.gz WIJMIRPFBIODJL-DLBZAZTESA-N 0 3 378.542 0.874 20 0 GCADHN OCCN1CCN(CCCCNc2cc(N3CCC[C@@H]3CO)ncn2)CC1 ZINC000114450850 1196099416 /nfs/dbraw/zinc/09/94/16/1196099416.db2.gz HSUSYNJWZSNONT-QGZVFWFLSA-N 0 3 378.521 0.240 20 0 GCADHN CC[C@H](O)[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000114460204 1196099708 /nfs/dbraw/zinc/09/97/08/1196099708.db2.gz ILXCKTNWYWKPIO-SJORKVTESA-N 0 3 382.549 0.671 20 0 GCADHN Cc1ccccc1C(=O)NCC(=O)NCCCCN1CCN(CCO)CC1 ZINC000474260605 1196103931 /nfs/dbraw/zinc/10/39/31/1196103931.db2.gz UFOITPFKSHOXMM-UHFFFAOYSA-N 0 3 376.501 0.231 20 0 GCADHN COc1cnccc1N1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000474316310 1196109023 /nfs/dbraw/zinc/10/90/23/1196109023.db2.gz UMIMBXPHHQUJES-UHFFFAOYSA-N 0 3 385.428 0.142 20 0 GCADHN CN1CCC[C@@H]1c1cc(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)[nH]n1 ZINC000895731188 1196110546 /nfs/dbraw/zinc/11/05/46/1196110546.db2.gz GDJGEBGFAWCHHF-GOSISDBHSA-N 0 3 388.516 0.803 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000280864691 1196119866 /nfs/dbraw/zinc/11/98/66/1196119866.db2.gz AEQGCOYTCWBKPL-ZDUSSCGKSA-N 0 3 386.493 0.477 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000120067035 1196126931 /nfs/dbraw/zinc/12/69/31/1196126931.db2.gz BSYCKGHVGSYRLB-DLBZAZTESA-N 0 3 380.514 0.984 20 0 GCADHN Cc1ccc([C@H](CNC(=O)CNS(=O)(=O)c2cnn(C)c2)N(C)C)cc1 ZINC000116026899 1196128668 /nfs/dbraw/zinc/12/86/68/1196128668.db2.gz LAAIKCRMZLQBJX-INIZCTEOSA-N 0 3 379.486 0.426 20 0 GCADHN CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000116389166 1196136919 /nfs/dbraw/zinc/13/69/19/1196136919.db2.gz PIZHQUPRHGLVID-IBGZPJMESA-N 0 3 387.528 0.962 20 0 GCADHN CC(C)(C)n1nnc(CCN2CC[C@@H]3CN(C(=O)[C@]45C[C@H]4COC5)C[C@@H]3C2)n1 ZINC001087973683 1196144227 /nfs/dbraw/zinc/14/42/27/1196144227.db2.gz MMKLSLWQBUMUQH-OLPIVMHESA-N 0 3 388.516 0.787 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000474794523 1196150084 /nfs/dbraw/zinc/15/00/84/1196150084.db2.gz DYOBVISDDIBOIR-INIZCTEOSA-N 0 3 390.532 0.698 20 0 GCADHN CCOC(=O)c1cnn2c1nccc2C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000474800001 1196150764 /nfs/dbraw/zinc/15/07/64/1196150764.db2.gz RAJPBKSUXSKSOH-AWEZNQCLSA-N 0 3 388.472 0.662 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 ZINC000474788959 1196150796 /nfs/dbraw/zinc/15/07/96/1196150796.db2.gz IJLQPHOLAMULTB-HOTGVXAUSA-N 0 3 382.530 0.496 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[C@@H]3[C@H]1CCCN3CCO)CCO2 ZINC000896537180 1196154245 /nfs/dbraw/zinc/15/42/45/1196154245.db2.gz KTUYEAJAVAQCQL-LUJDSPJVSA-N 0 3 395.500 0.728 20 0 GCADHN CN1CC[C@H]2OCCN(C(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)[C@@H]2C1 ZINC000329000356 1196155506 /nfs/dbraw/zinc/15/55/06/1196155506.db2.gz XIUSKIWOJCFZNX-QZTJIDSGSA-N 0 3 396.447 0.555 20 0 GCADHN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000329033125 1196158472 /nfs/dbraw/zinc/15/84/72/1196158472.db2.gz QHXRZLKTUAVXDN-BRWVUGGUSA-N 0 3 389.500 0.746 20 0 GCADHN O=S(=O)(NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cnn([C@@H]2CCOC2)c1 ZINC000443781098 1196159776 /nfs/dbraw/zinc/15/97/76/1196159776.db2.gz UMBZOQQICVWPFJ-KBAYOESNSA-N 0 3 398.529 0.891 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)c3cn(CCO)c(=O)[nH]c3=O)c2)CC1 ZINC000474835543 1196163410 /nfs/dbraw/zinc/16/34/10/1196163410.db2.gz QKMPPUJNVSUAKH-UHFFFAOYSA-N 0 3 387.440 0.335 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000329174365 1196171775 /nfs/dbraw/zinc/17/17/75/1196171775.db2.gz LCFPRFRXQGSXQK-IRXDYDNUSA-N 0 3 381.498 0.595 20 0 GCADHN CC(=O)N1CC[C@H](N[C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000329176447 1196172376 /nfs/dbraw/zinc/17/23/76/1196172376.db2.gz MWCPEMFSUTWFIS-PBHICJAKSA-N 0 3 381.498 0.979 20 0 GCADHN CC(=O)N1CC[C@H](N[C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000329176450 1196172467 /nfs/dbraw/zinc/17/24/67/1196172467.db2.gz MWCPEMFSUTWFIS-YOEHRIQHSA-N 0 3 381.498 0.979 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CCN1C ZINC000896618406 1196184373 /nfs/dbraw/zinc/18/43/73/1196184373.db2.gz PSPQQSNBGIPBCC-IPYPFGDCSA-N 0 3 395.504 0.598 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 ZINC000329409527 1196193331 /nfs/dbraw/zinc/19/33/31/1196193331.db2.gz AFHHGHVIJXGPGF-QGZVFWFLSA-N 0 3 395.525 0.523 20 0 GCADHN CN1CCN(CCOc2ccc(NC(=O)C3CN([C@@H]4CCOC4)C3)cc2)CC1 ZINC000896740789 1196202068 /nfs/dbraw/zinc/20/20/68/1196202068.db2.gz IHBSIAXOWMQOIY-LJQANCHMSA-N 0 3 388.512 0.972 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(CC(=O)NC4CCCC4)C[C@H]3C2)O1 ZINC001088012232 1196217058 /nfs/dbraw/zinc/21/70/58/1196217058.db2.gz ZXALEAADKATKCL-VXIBKDFQSA-N 0 3 392.544 0.545 20 0 GCADHN O=C(CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000329660957 1196217760 /nfs/dbraw/zinc/21/77/60/1196217760.db2.gz OTVANZXBLYNTNL-CGTJXYLNSA-N 0 3 393.509 0.222 20 0 GCADHN O=C(CN1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000329660959 1196217919 /nfs/dbraw/zinc/21/79/19/1196217919.db2.gz OTVANZXBLYNTNL-RYQLBKOJSA-N 0 3 393.509 0.222 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C3CC3)n2C[C@H]2CCOC2)CC1 ZINC000329697594 1196222827 /nfs/dbraw/zinc/22/28/27/1196222827.db2.gz CIXWEGRWLNUAMW-WBVHZDCISA-N 0 3 388.516 0.935 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCN(C(=O)CNC(=O)c3cccs3)C2)C1=O ZINC001271177397 1196224004 /nfs/dbraw/zinc/22/40/04/1196224004.db2.gz NQGIPCKWOPPUSO-SFHVURJKSA-N 0 3 378.498 0.491 20 0 GCADHN CN(C)CCN1CC[C@]2(CCCN2C(=O)CNC(=O)c2cccs2)C1=O ZINC001271176428 1196224366 /nfs/dbraw/zinc/22/43/66/1196224366.db2.gz FJDMRGVZHFNTNF-GOSISDBHSA-N 0 3 378.498 0.633 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN(CC)CC)C2)N1CCCC1=O ZINC001719897972 1196224697 /nfs/dbraw/zinc/22/46/97/1196224697.db2.gz PTNAHEBMQDANRF-VQHPVUNQSA-N 0 3 378.517 0.977 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCc3nnc(C)n3C2)CC1 ZINC000522665248 1196228064 /nfs/dbraw/zinc/22/80/64/1196228064.db2.gz VKUMVEWMDXZNJW-MRXNPFEDSA-N 0 3 391.520 0.345 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCCC2)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC000984913431 1196229367 /nfs/dbraw/zinc/22/93/67/1196229367.db2.gz KKHOMUHUTSIIBE-FXUDXRNXSA-N 0 3 378.517 0.868 20 0 GCADHN CO[C@H](CNCC(=O)NCC(=O)N(C)Cc1ccccc1)C1CCOCC1 ZINC000896884906 1196244303 /nfs/dbraw/zinc/24/43/03/1196244303.db2.gz CMHAKVZAFPXAKS-GOSISDBHSA-N 0 3 377.485 0.792 20 0 GCADHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330130307 1196254734 /nfs/dbraw/zinc/25/47/34/1196254734.db2.gz OWLHCWPALOBSCI-OWCLPIDISA-N 0 3 379.505 0.387 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330130304 1196254794 /nfs/dbraw/zinc/25/47/94/1196254794.db2.gz OWLHCWPALOBSCI-BZUAXINKSA-N 0 3 379.505 0.387 20 0 GCADHN C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330133130 1196255326 /nfs/dbraw/zinc/25/53/26/1196255326.db2.gz QXPHSYZPDITMEC-HOCLYGCPSA-N 0 3 379.505 0.387 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000330200026 1196259227 /nfs/dbraw/zinc/25/92/27/1196259227.db2.gz WEATVQSBDRYDCY-BHYGNILZSA-N 0 3 377.485 0.873 20 0 GCADHN O=S(=O)(NCC1CC1)c1ccc(N2CCN(C[C@H]3CCOC3)CC2)nc1 ZINC000330213750 1196259811 /nfs/dbraw/zinc/25/98/11/1196259811.db2.gz FOVXRTXJNLUXNK-MRXNPFEDSA-N 0 3 380.514 0.928 20 0 GCADHN O=C([C@H]1CCCN1C1CC1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000330231960 1196260550 /nfs/dbraw/zinc/26/05/50/1196260550.db2.gz RHXXESNCGQHXSP-GOSISDBHSA-N 0 3 381.484 0.933 20 0 GCADHN CCn1cc(-c2nn(C)cc2C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000330232223 1196260774 /nfs/dbraw/zinc/26/07/74/1196260774.db2.gz RKLHTGNKCFNTFC-UHFFFAOYSA-N 0 3 399.499 0.684 20 0 GCADHN C[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1)CN1CCN(C)CC1 ZINC000281017783 1196271045 /nfs/dbraw/zinc/27/10/45/1196271045.db2.gz MHOBRIPWFPYGAR-AWEZNQCLSA-N 0 3 398.533 0.337 20 0 GCADHN CC1=C(C(=O)N(C)C2CCN(CCc3ccccn3)CC2)Cn2nnnc2N1C ZINC000281034019 1196272244 /nfs/dbraw/zinc/27/22/44/1196272244.db2.gz VPERKZBYHLDCPT-UHFFFAOYSA-N 0 3 396.499 0.957 20 0 GCADHN C[C@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1=CCN(C)CC1 ZINC000281074123 1196276026 /nfs/dbraw/zinc/27/60/26/1196276026.db2.gz DNXQXQAIOZAORN-UGSOOPFHSA-N 0 3 378.473 0.369 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)CC1 ZINC000281108630 1196277973 /nfs/dbraw/zinc/27/79/73/1196277973.db2.gz CEEHIWWXKOJVKA-AWEZNQCLSA-N 0 3 390.488 0.954 20 0 GCADHN Cc1nnc(SCC(=O)N2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)s1 ZINC001271223808 1196278405 /nfs/dbraw/zinc/27/84/05/1196278405.db2.gz CASBUYXXIYLFHU-INIZCTEOSA-N 0 3 383.543 0.951 20 0 GCADHN CNC(=O)[C@]1(C)CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000281144586 1196278434 /nfs/dbraw/zinc/27/84/34/1196278434.db2.gz OYOGTBJJGDSDRD-FHSNZYRGSA-N 0 3 396.513 0.358 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)OCC(=O)N2 ZINC000281378890 1196291049 /nfs/dbraw/zinc/29/10/49/1196291049.db2.gz GMOYKLAULSHHLT-WCQYABFASA-N 0 3 383.470 0.987 20 0 GCADHN CC(C)C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001271278913 1196295794 /nfs/dbraw/zinc/29/57/94/1196295794.db2.gz UFQUEGCWAXYTDS-RIVXBTQJSA-N 0 3 381.517 0.779 20 0 GCADHN CCN(C(=O)[C@H](C)NC[C@@H]1CCCN1c1cccnn1)[C@@H]1CCS(=O)(=O)C1 ZINC000522691002 1196303299 /nfs/dbraw/zinc/30/32/99/1196303299.db2.gz FZIZFZPHYIWJAX-HRCADAONSA-N 0 3 395.529 0.459 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000522770656 1196307839 /nfs/dbraw/zinc/30/78/39/1196307839.db2.gz GLKSNPQNTSTGAP-UHFFFAOYSA-N 0 3 375.473 0.395 20 0 GCADHN CN1CCN(CCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1(C)C ZINC000281646905 1196317814 /nfs/dbraw/zinc/31/78/14/1196317814.db2.gz BCBZHZJMDFBJBF-UHFFFAOYSA-N 0 3 394.541 0.765 20 0 GCADHN CCNS(=O)(=O)c1ccc(CC(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281668840 1196320645 /nfs/dbraw/zinc/32/06/45/1196320645.db2.gz DDWHSFHZVLUEPG-UHFFFAOYSA-N 0 3 396.557 0.670 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C ZINC000281773324 1196332083 /nfs/dbraw/zinc/33/20/83/1196332083.db2.gz YHYUBAVVLJLSJP-INIZCTEOSA-N 0 3 376.457 0.611 20 0 GCADHN CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281788767 1196334336 /nfs/dbraw/zinc/33/43/36/1196334336.db2.gz BVUIRMVOHXISEF-UHFFFAOYSA-N 0 3 389.500 0.517 20 0 GCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000281834555 1196340925 /nfs/dbraw/zinc/34/09/25/1196340925.db2.gz IMHYXPVPHNDLSQ-MRXNPFEDSA-N 0 3 397.545 0.123 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)CC1 ZINC000522829016 1196348059 /nfs/dbraw/zinc/34/80/59/1196348059.db2.gz JACGNYSFBYCTFV-ZDUSSCGKSA-N 0 3 393.463 0.253 20 0 GCADHN CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000522833278 1196349132 /nfs/dbraw/zinc/34/91/32/1196349132.db2.gz UGJYRTRRCUCEJS-HNNXBMFYSA-N 0 3 389.500 0.375 20 0 GCADHN CN1CC(=O)N(CC(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)C1=O ZINC000522886002 1196359116 /nfs/dbraw/zinc/35/91/16/1196359116.db2.gz JFLMVGLBCZDLMU-CQSZACIVSA-N 0 3 387.440 0.216 20 0 GCADHN O=C([C@@H]1C[C@H]1c1ccco1)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]2C1 ZINC001088115641 1196366919 /nfs/dbraw/zinc/36/69/19/1196366919.db2.gz FYHCXMMWQYNDPX-QKPAOTATSA-N 0 3 386.452 0.715 20 0 GCADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)NC[C@H]2CCCN2CCOC)cn1 ZINC000487464373 1196369026 /nfs/dbraw/zinc/36/90/26/1196369026.db2.gz AARONJBUOQOZJA-NUJGCVRESA-N 0 3 392.504 0.633 20 0 GCADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cn1C ZINC000522955906 1196369518 /nfs/dbraw/zinc/36/95/18/1196369518.db2.gz SBOJATDPSZWEPH-MRXNPFEDSA-N 0 3 391.497 0.398 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1 ZINC000103122628 1196374015 /nfs/dbraw/zinc/37/40/15/1196374015.db2.gz YKFJUUYLLZHCMC-UHFFFAOYSA-N 0 3 386.374 0.774 20 0 GCADHN O=C(Cc1cccc(F)c1)NCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103122044 1196374066 /nfs/dbraw/zinc/37/40/66/1196374066.db2.gz JKYQSQRJLHBLTI-UHFFFAOYSA-N 0 3 390.459 0.251 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)NCCN2CCOCC2)CC1 ZINC000042950487 1196378260 /nfs/dbraw/zinc/37/82/60/1196378260.db2.gz GQZPIWVYHKIUPN-UHFFFAOYSA-N 0 3 389.544 0.956 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[S@@](=O)C2)c1 ZINC000475092634 1196378543 /nfs/dbraw/zinc/37/85/43/1196378543.db2.gz FBRXGYAJMXCIOE-AKJBCIBTSA-N 0 3 383.514 0.964 20 0 GCADHN CCn1c2ccc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)cc2[nH]c(=O)c1=O ZINC000104531729 1196384676 /nfs/dbraw/zinc/38/46/76/1196384676.db2.gz AGXKXSQZWYKHMX-OAHLLOKOSA-N 0 3 388.468 0.893 20 0 GCADHN COC(=O)CCn1nc(C)c(CN2CCC3(CC2)C[C@@H](O)CNC3=O)c1C ZINC000897043320 1196386244 /nfs/dbraw/zinc/38/62/44/1196386244.db2.gz UTCWLQOJZWDCKG-OAHLLOKOSA-N 0 3 378.473 0.526 20 0 GCADHN O=C(NCCCn1cnc2ccccc21)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000785409935 1196391411 /nfs/dbraw/zinc/39/14/11/1196391411.db2.gz AOIAFYJXELGILQ-CVEARBPZSA-N 0 3 385.468 0.522 20 0 GCADHN CCN1C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)CC1=O ZINC000653449388 1196396485 /nfs/dbraw/zinc/39/64/85/1196396485.db2.gz RCNZXXQHPLGDHI-OAHLLOKOSA-N 0 3 380.514 0.623 20 0 GCADHN CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000523014282 1196400330 /nfs/dbraw/zinc/40/03/30/1196400330.db2.gz KACCEJQXXBEVOD-UHFFFAOYSA-N 0 3 390.550 0.458 20 0 GCADHN O=S(=O)(c1ccnc(N2CC[C@H]3[C@H]2CCCN3CCO)c1)N1CCCC1 ZINC000897221640 1196405865 /nfs/dbraw/zinc/40/58/65/1196405865.db2.gz NZBCHVHIUWJIOR-DLBZAZTESA-N 0 3 380.514 0.902 20 0 GCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)NC ZINC001719902674 1196415557 /nfs/dbraw/zinc/41/55/57/1196415557.db2.gz NYQMXLQADBAKEN-LVQVYYBASA-N 0 3 379.505 0.428 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2cc(C(F)(F)F)nc3ncnn32)CC1 ZINC000301176677 1196422992 /nfs/dbraw/zinc/42/29/92/1196422992.db2.gz GNSCVOQWCDMSKW-UHFFFAOYSA-N 0 3 383.378 0.888 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)n(C)n1 ZINC000121290355 1196423765 /nfs/dbraw/zinc/42/37/65/1196423765.db2.gz DRCOFXLQJDIRCU-UHFFFAOYSA-N 0 3 384.484 0.731 20 0 GCADHN CCC[C@@H](O)[C@H](CO)NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000665642779 1196424119 /nfs/dbraw/zinc/42/41/19/1196424119.db2.gz SPLPEPIRVJIOKN-FUHWJXTLSA-N 0 3 387.484 0.815 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC1 ZINC000301983340 1196437581 /nfs/dbraw/zinc/43/75/81/1196437581.db2.gz YKEIJYQABIDTKY-NVXWUHKLSA-N 0 3 388.516 0.604 20 0 GCADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ncccc1S(N)(=O)=O ZINC000302383149 1196441816 /nfs/dbraw/zinc/44/18/16/1196441816.db2.gz AEKGUEFRFPPINS-GOSISDBHSA-N 0 3 376.482 0.802 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000523092902 1196455964 /nfs/dbraw/zinc/45/59/64/1196455964.db2.gz ITESVRVBHGMTSH-LJQANCHMSA-N 0 3 396.488 0.439 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000523092901 1196456036 /nfs/dbraw/zinc/45/60/36/1196456036.db2.gz ITESVRVBHGMTSH-IBGZPJMESA-N 0 3 396.488 0.439 20 0 GCADHN CN(CCN1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1)Cc1ccccc1 ZINC000105062468 1196465810 /nfs/dbraw/zinc/46/58/10/1196465810.db2.gz TVHIDLMPYONVPJ-SFHVURJKSA-N 0 3 394.541 0.633 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000609951644 1196465994 /nfs/dbraw/zinc/46/59/94/1196465994.db2.gz UXPOKEUATVFMDX-UHFFFAOYSA-N 0 3 390.484 0.864 20 0 GCADHN CN1CCN(Cc2cccc(C(=O)N3CCN(Cc4nc[nH]n4)CC3)c2)CC1 ZINC000652901443 1196473481 /nfs/dbraw/zinc/47/34/81/1196473481.db2.gz BIDQCQWIWKLZON-UHFFFAOYSA-N 0 3 383.500 0.510 20 0 GCADHN CN1CCN(Cc2cccc(C(=O)N3CCN(Cc4nnc[nH]4)CC3)c2)CC1 ZINC000652901443 1196473486 /nfs/dbraw/zinc/47/34/86/1196473486.db2.gz BIDQCQWIWKLZON-UHFFFAOYSA-N 0 3 383.500 0.510 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c2ccccc2O1 ZINC000583676046 1196484528 /nfs/dbraw/zinc/48/45/28/1196484528.db2.gz RWUKZSJEXVDLBT-WMLDXEAASA-N 0 3 389.452 0.895 20 0 GCADHN O=C(CCN1CCC[C@H]1[C@H](O)C(F)(F)F)N1CCN(c2ncccn2)CC1 ZINC000110115892 1196487343 /nfs/dbraw/zinc/48/73/43/1196487343.db2.gz RZFSGWBOGPLPHV-ZFWWWQNUSA-N 0 3 387.406 0.903 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC1 ZINC000110537782 1196489731 /nfs/dbraw/zinc/48/97/31/1196489731.db2.gz GEXJASGFGMGOLX-KRWDZBQOSA-N 0 3 388.516 0.430 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)cn1C ZINC000114495993 1196495576 /nfs/dbraw/zinc/49/55/76/1196495576.db2.gz RODLPECFEKZQCO-UHFFFAOYSA-N 0 3 378.502 0.696 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000523240201 1196505122 /nfs/dbraw/zinc/50/51/22/1196505122.db2.gz BCXZZIORRNBXQO-GFCCVEGCSA-N 0 3 386.456 0.008 20 0 GCADHN CN(C[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000985550649 1196513245 /nfs/dbraw/zinc/51/32/45/1196513245.db2.gz KVFGGHCMZYQZHN-ZIVXASGVSA-N 0 3 382.526 0.767 20 0 GCADHN CCNC(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000523314553 1196514201 /nfs/dbraw/zinc/51/42/01/1196514201.db2.gz KBFUJRUEXVOWHH-KRWDZBQOSA-N 0 3 390.484 0.944 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000487505543 1196515695 /nfs/dbraw/zinc/51/56/95/1196515695.db2.gz UJDRLLKRSOICSW-GOEBONIOSA-N 0 3 388.534 0.305 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)c1ccc3ncsc3n1)C2 ZINC001271756354 1196518740 /nfs/dbraw/zinc/51/87/40/1196518740.db2.gz YZNNCIBLDFSOQF-UHFFFAOYSA-N 0 3 375.454 0.306 20 0 GCADHN CCOC(=O)c1nnc(C2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)[n-]1 ZINC000444808715 1196522728 /nfs/dbraw/zinc/52/27/28/1196522728.db2.gz VCXNRVPJCZPEFA-CQSZACIVSA-N 0 3 382.461 0.717 20 0 GCADHN CCOC(=O)C1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523626637 1196537622 /nfs/dbraw/zinc/53/76/22/1196537622.db2.gz MBRPDMSFMXJFHW-INIZCTEOSA-N 0 3 382.505 0.914 20 0 GCADHN CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523667747 1196541780 /nfs/dbraw/zinc/54/17/80/1196541780.db2.gz YALRBVOLWQFGTN-QGZVFWFLSA-N 0 3 380.514 0.788 20 0 GCADHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)CN2CCCS2(=O)=O)C1 ZINC000523670304 1196541890 /nfs/dbraw/zinc/54/18/90/1196541890.db2.gz PZOCNODRPHTIIX-HNNXBMFYSA-N 0 3 394.497 0.358 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000523660838 1196544376 /nfs/dbraw/zinc/54/43/76/1196544376.db2.gz NVHKGUNIEXBNAS-VQHPVUNQSA-N 0 3 378.517 0.692 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC3(CCN(C)C3=O)CC2)CC1 ZINC000445094649 1196547411 /nfs/dbraw/zinc/54/74/11/1196547411.db2.gz SQVBRIKDLZFDLN-QGZVFWFLSA-N 0 3 379.549 0.914 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000445139833 1196552086 /nfs/dbraw/zinc/55/20/86/1196552086.db2.gz SFIDJXOUDAXXFU-NSHDSACASA-N 0 3 390.410 0.520 20 0 GCADHN O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000367196734 1196562441 /nfs/dbraw/zinc/56/24/41/1196562441.db2.gz PDSZCOWBNLQGNC-IBGZPJMESA-N 0 3 381.480 0.842 20 0 GCADHN CC(C)C(=O)NC1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523915403 1196566281 /nfs/dbraw/zinc/56/62/81/1196566281.db2.gz CEKFRCMTWIQVAI-QGZVFWFLSA-N 0 3 395.548 0.875 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000523916622 1196566389 /nfs/dbraw/zinc/56/63/89/1196566389.db2.gz CJOFEPNDBLWLPC-INIZCTEOSA-N 0 3 395.548 0.829 20 0 GCADHN CNC(=O)c1ccc(CNC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000523918359 1196566538 /nfs/dbraw/zinc/56/65/38/1196566538.db2.gz HYJHRXCCXSPSOG-KRWDZBQOSA-N 0 3 389.500 0.788 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000523916623 1196566613 /nfs/dbraw/zinc/56/66/13/1196566613.db2.gz CJOFEPNDBLWLPC-MRXNPFEDSA-N 0 3 395.548 0.829 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(C)(C)N1CCOCC1 ZINC000523919140 1196568267 /nfs/dbraw/zinc/56/82/67/1196568267.db2.gz ADUZATVPANXFKX-MRXNPFEDSA-N 0 3 383.537 0.339 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)CC1 ZINC000121553415 1196569125 /nfs/dbraw/zinc/56/91/25/1196569125.db2.gz KRSKYTOTHHYKBX-UHFFFAOYSA-N 0 3 398.385 0.809 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000523968575 1196569634 /nfs/dbraw/zinc/56/96/34/1196569634.db2.gz AVNRMSXQTVOLMC-KRWDZBQOSA-N 0 3 398.467 0.627 20 0 GCADHN COCc1ccc(OC)c(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000508530340 1196572725 /nfs/dbraw/zinc/57/27/25/1196572725.db2.gz XIELIPUHHALCRF-HNNXBMFYSA-N 0 3 399.513 0.707 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000524035572 1196573483 /nfs/dbraw/zinc/57/34/83/1196573483.db2.gz XNLBRLSLBMEPGO-KRWDZBQOSA-N 0 3 377.489 0.118 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000524151852 1196579706 /nfs/dbraw/zinc/57/97/06/1196579706.db2.gz VIIYHUYOCQRWMT-QGZVFWFLSA-N 0 3 390.528 0.934 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000524351979 1196589932 /nfs/dbraw/zinc/58/99/32/1196589932.db2.gz DYSZDBVGJXRNJU-QZTJIDSGSA-N 0 3 375.469 0.641 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000524351980 1196589976 /nfs/dbraw/zinc/58/99/76/1196589976.db2.gz DYSZDBVGJXRNJU-ZWKOTPCHSA-N 0 3 375.469 0.641 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)ccc1C ZINC000445779240 1196590360 /nfs/dbraw/zinc/59/03/60/1196590360.db2.gz DJRUWVBAISJSOY-ZIAGYGMSSA-N 0 3 382.486 0.475 20 0 GCADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000445763780 1196590640 /nfs/dbraw/zinc/59/06/40/1196590640.db2.gz GKFRLBRUHIPEHU-UGFHNGPFSA-N 0 3 394.497 0.245 20 0 GCADHN C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000524467915 1196598014 /nfs/dbraw/zinc/59/80/14/1196598014.db2.gz YOEBFRHVJKIAHI-DLBZAZTESA-N 0 3 377.533 0.951 20 0 GCADHN CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)N(C)CCN(C)C)cc2)CC1 ZINC000445933642 1196601534 /nfs/dbraw/zinc/60/15/34/1196601534.db2.gz YHVNQGMXBNQHCM-UHFFFAOYSA-N 0 3 389.500 0.309 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000445937311 1196601752 /nfs/dbraw/zinc/60/17/52/1196601752.db2.gz ISJPAFFGYRNPNZ-UHFFFAOYSA-N 0 3 375.408 0.637 20 0 GCADHN O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000524719035 1196618999 /nfs/dbraw/zinc/61/89/99/1196618999.db2.gz QFTOGORJOUTRJA-JXXFODFXSA-N 0 3 385.468 0.788 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000524750686 1196619788 /nfs/dbraw/zinc/61/97/88/1196619788.db2.gz MORWNLHDFMUUMR-IBGZPJMESA-N 0 3 391.560 0.168 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000446195454 1196621267 /nfs/dbraw/zinc/62/12/67/1196621267.db2.gz IXZYUOQAUINISF-ASKKUZCQSA-N 0 3 379.501 0.616 20 0 GCADHN Cc1nc2cc(NC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)ccc2n1C ZINC000524763812 1196622536 /nfs/dbraw/zinc/62/25/36/1196622536.db2.gz ZKUXXOZSEWMJFW-AWEZNQCLSA-N 0 3 386.500 0.820 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000446256339 1196628975 /nfs/dbraw/zinc/62/89/75/1196628975.db2.gz APHHGLGMUKIIOU-OGWOLHLISA-N 0 3 391.472 0.213 20 0 GCADHN CCN(CC)C(=O)CN1CCCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446257590 1196629117 /nfs/dbraw/zinc/62/91/17/1196629117.db2.gz GQAUXUIMVQCHFZ-HGHGUNKESA-N 0 3 394.560 0.922 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000524816442 1196629676 /nfs/dbraw/zinc/62/96/76/1196629676.db2.gz PECXAYTUSYKPST-KKUMJFAQSA-N 0 3 390.550 0.009 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000446270433 1196629695 /nfs/dbraw/zinc/62/96/95/1196629695.db2.gz SHKBPNQZQXKSKX-STXHMFSFSA-N 0 3 387.484 0.362 20 0 GCADHN CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000524816443 1196629907 /nfs/dbraw/zinc/62/99/07/1196629907.db2.gz PECXAYTUSYKPST-RRFJBIMHSA-N 0 3 390.550 0.009 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000446287173 1196630948 /nfs/dbraw/zinc/63/09/48/1196630948.db2.gz HJXUEILAMLZTGS-IIDMSEBBSA-N 0 3 385.530 0.592 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446265263 1196631004 /nfs/dbraw/zinc/63/10/04/1196631004.db2.gz DCRMQZGBOAWJIP-BXTJHSDWSA-N 0 3 399.499 0.544 20 0 GCADHN COCCNC(=O)Cn1cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000446293949 1196632258 /nfs/dbraw/zinc/63/22/58/1196632258.db2.gz SMPSFZUZFNHJQL-JCKWVBRZSA-N 0 3 379.461 0.117 20 0 GCADHN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446315453 1196632665 /nfs/dbraw/zinc/63/26/65/1196632665.db2.gz JVSHOXWDOYSLGX-RVKKMQEKSA-N 0 3 387.546 0.791 20 0 GCADHN Cn1cc(NC(=O)NCCCCN2CCN(CCO)CC2)c(C(F)(F)F)n1 ZINC000446345893 1196634630 /nfs/dbraw/zinc/63/46/30/1196634630.db2.gz GPGHWAHFZGWUJP-UHFFFAOYSA-N 0 3 392.426 0.951 20 0 GCADHN CC(C)[C@H](O)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000524908870 1196636744 /nfs/dbraw/zinc/63/67/44/1196636744.db2.gz DBKWUHUDEYFFLX-QGZVFWFLSA-N 0 3 390.484 0.456 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446371018 1196638514 /nfs/dbraw/zinc/63/85/14/1196638514.db2.gz NXUKFKRAQNQTTH-OGWOLHLISA-N 0 3 377.489 0.686 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000446370781 1196638646 /nfs/dbraw/zinc/63/86/46/1196638646.db2.gz UEQYNNBFMJNGHN-CBGDNZLLSA-N 0 3 386.496 0.967 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1nnc2n1CCCCC2 ZINC000524933881 1196639032 /nfs/dbraw/zinc/63/90/32/1196639032.db2.gz DALHWDYILRGUMI-OAHLLOKOSA-N 0 3 391.520 0.746 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446377839 1196639088 /nfs/dbraw/zinc/63/90/88/1196639088.db2.gz WFLOXTPMDMAMKI-RLFYNMQTSA-N 0 3 387.546 0.839 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000446380046 1196639314 /nfs/dbraw/zinc/63/93/14/1196639314.db2.gz CZKWYJVCFGFRSK-NBQZKYEYSA-N 0 3 388.468 0.763 20 0 GCADHN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)CCO2)n1 ZINC000446374416 1196640053 /nfs/dbraw/zinc/64/00/53/1196640053.db2.gz JVPATIYEPKUUEL-WFXMFSGNSA-N 0 3 377.489 0.655 20 0 GCADHN CN(C)c1nccc(N2CCN(C(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)CC2)n1 ZINC000446372889 1196640156 /nfs/dbraw/zinc/64/01/56/1196640156.db2.gz YGIHRRUKTLVRFW-AKCHCHLHSA-N 0 3 388.516 0.724 20 0 GCADHN Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@]3(N)[C@H]4CCCO[C@@H]4C3(C)C)CCO2)n1 ZINC000446374415 1196640221 /nfs/dbraw/zinc/64/02/21/1196640221.db2.gz JVPATIYEPKUUEL-IUVQAAGXSA-N 0 3 377.489 0.655 20 0 GCADHN O=C(NCCNC(=O)c1cccnc1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000524994063 1196643109 /nfs/dbraw/zinc/64/31/09/1196643109.db2.gz LZBWVJCVYOYELA-NRFANRHFSA-N 0 3 397.479 0.748 20 0 GCADHN CC(C)Cn1c(-c2ncon2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000909638769 1196646162 /nfs/dbraw/zinc/64/61/62/1196646162.db2.gz ZTANWDXDDQIPEQ-UHFFFAOYSA-N 0 3 388.476 0.729 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)N[C@H](C)C(=O)N3CCOCC3)CC2)c1 ZINC000525177528 1196653885 /nfs/dbraw/zinc/65/38/85/1196653885.db2.gz VKCBHCWFWNAASU-GOSISDBHSA-N 0 3 388.512 0.871 20 0 GCADHN O=S(=O)(NC[C@@H]1CCN(C2CC2)C1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000525186052 1196654797 /nfs/dbraw/zinc/65/47/97/1196654797.db2.gz FECCQTTTYXKTCI-ZDUSSCGKSA-N 0 3 399.538 0.890 20 0 GCADHN C[C@@](O)(CNCc1ccccc1OCC(=O)N1CCCC1)CN1CCOCC1 ZINC000525181387 1196654848 /nfs/dbraw/zinc/65/48/48/1196654848.db2.gz FGLRKZZQIONZOZ-OAQYLSRUSA-N 0 3 391.512 0.861 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000525196496 1196655880 /nfs/dbraw/zinc/65/58/80/1196655880.db2.gz NNKDDBZTGCYNJC-GJZGRUSLSA-N 0 3 395.500 0.894 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CCSC1 ZINC000446740665 1196662880 /nfs/dbraw/zinc/66/28/80/1196662880.db2.gz GLYDJWOKLMBYGT-CXAGYDPISA-N 0 3 381.502 0.412 20 0 GCADHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000525304019 1196666391 /nfs/dbraw/zinc/66/63/91/1196666391.db2.gz ISMLDRTXKRQKMO-ZDUSSCGKSA-N 0 3 383.474 0.068 20 0 GCADHN CN(C)[C@H](CNC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)Cc1ccccc1 ZINC000487524717 1196668426 /nfs/dbraw/zinc/66/84/26/1196668426.db2.gz YIUSCGFZQFDCNR-SJORKVTESA-N 0 3 382.530 0.835 20 0 GCADHN CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000525321560 1196672147 /nfs/dbraw/zinc/67/21/47/1196672147.db2.gz JLYSGBXEFUEEDY-AWEZNQCLSA-N 0 3 375.473 0.583 20 0 GCADHN COc1cccc([C@@H](CNC(=O)C[C@H](NC(C)=O)C(N)=O)N2CCCC2)c1 ZINC000525382208 1196676578 /nfs/dbraw/zinc/67/65/78/1196676578.db2.gz MOWQQOFTBUIBLF-DLBZAZTESA-N 0 3 376.457 0.328 20 0 GCADHN COC(=O)[C@@](C)(CN[C@H](C)C(=O)N1CCN(C(C)=O)CC1)c1ccc(F)cc1 ZINC000447025329 1196688620 /nfs/dbraw/zinc/68/86/20/1196688620.db2.gz CATMNRPOUUJVKZ-VLIAUNLRSA-N 0 3 393.459 0.925 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000447025575 1196689159 /nfs/dbraw/zinc/68/91/59/1196689159.db2.gz DBLGMUYEWJWNAC-UHFFFAOYSA-N 0 3 387.440 0.905 20 0 GCADHN FC(F)(F)COCCn1nnnc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000447312684 1196707184 /nfs/dbraw/zinc/70/71/84/1196707184.db2.gz HPJULJRLLMQSHV-CYBMUJFWSA-N 0 3 378.399 0.406 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000525815636 1196712883 /nfs/dbraw/zinc/71/28/83/1196712883.db2.gz FNWZTTILBFZTTI-IKGGRYGDSA-N 0 3 388.578 0.915 20 0 GCADHN COCC[C@@]1(NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000447382187 1196713907 /nfs/dbraw/zinc/71/39/07/1196713907.db2.gz IGOVJTLCNRFMCR-SJLPKXTDSA-N 0 3 388.530 0.730 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000525885189 1196721407 /nfs/dbraw/zinc/72/14/07/1196721407.db2.gz WPOSKPBFQNEZTQ-GOEBONIOSA-N 0 3 388.468 0.965 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCc1ccccc1 ZINC000429720462 1196736018 /nfs/dbraw/zinc/73/60/18/1196736018.db2.gz QDVMGUYAODJCJY-HUUCEWRRSA-N 0 3 382.486 0.462 20 0 GCADHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000429721685 1196736079 /nfs/dbraw/zinc/73/60/79/1196736079.db2.gz RSVOQWPUOISRRU-LXTVHRRPSA-N 0 3 388.534 0.841 20 0 GCADHN C(Nc1nc(NC[C@@H]2CCSC2)nc(N2CCOCC2)n1)[C@H]1CCSC1 ZINC000447799249 1196749394 /nfs/dbraw/zinc/74/93/94/1196749394.db2.gz GWOYWJUVQHDBFE-OKILXGFUSA-N 0 3 396.586 0.882 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CC1=O ZINC000526946286 1196750186 /nfs/dbraw/zinc/75/01/86/1196750186.db2.gz RKFXHGYRVHLOBF-RDJZCZTQSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H](O)C[C@@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000447829557 1196752421 /nfs/dbraw/zinc/75/24/21/1196752421.db2.gz GVXNRQIZXNBONZ-SJORKVTESA-N 0 3 382.549 0.671 20 0 GCADHN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN[C@@H](CO)[C@@H]3CCCO3)CC2)C1 ZINC000447905983 1196756360 /nfs/dbraw/zinc/75/63/60/1196756360.db2.gz NRPBPBLUMDXWPT-NJAFHUGGSA-N 0 3 381.517 0.613 20 0 GCADHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN[C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000447910902 1196756859 /nfs/dbraw/zinc/75/68/59/1196756859.db2.gz GNVNPGVDTPBMGF-OALUTQOASA-N 0 3 389.496 0.845 20 0 GCADHN C[C@H](N[C@H](CO)[C@H]1CCCO1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000447911909 1196757216 /nfs/dbraw/zinc/75/72/16/1196757216.db2.gz IUUGDXYIMVSGMQ-YXAMBPQSSA-N 0 3 385.486 0.029 20 0 GCADHN C[C@H](N[C@H](CO)[C@@H]1CCCO1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000447911908 1196757495 /nfs/dbraw/zinc/75/74/95/1196757495.db2.gz IUUGDXYIMVSGMQ-RKLWJJNISA-N 0 3 385.486 0.029 20 0 GCADHN O=C(CN[C@H](CO)[C@H]1CCCO1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000447920014 1196758477 /nfs/dbraw/zinc/75/84/77/1196758477.db2.gz WOKXTCQCRKTVSM-IAGOWNOFSA-N 0 3 376.457 0.492 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000527129910 1196765679 /nfs/dbraw/zinc/76/56/79/1196765679.db2.gz XXRKXAZBAYSGIR-UHFFFAOYSA-N 0 3 378.473 0.486 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CCN1CCCC1=O ZINC000527134991 1196768982 /nfs/dbraw/zinc/76/89/82/1196768982.db2.gz RWVKXVCXKCNIHS-UHFFFAOYSA-N 0 3 376.457 0.776 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCc3cnccn3)cc2)CC1 ZINC000527173819 1196771011 /nfs/dbraw/zinc/77/10/11/1196771011.db2.gz ILWABVZLYHKLDW-UHFFFAOYSA-N 0 3 396.495 0.912 20 0 GCADHN CCN1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000527230553 1196775248 /nfs/dbraw/zinc/77/52/48/1196775248.db2.gz PQOBYDUPMSNPDJ-DLBZAZTESA-N 0 3 377.537 0.824 20 0 GCADHN COCCNc1nc(NC[C@@]2(C)CCCO2)nc(NC[C@]2(C)CCCO2)n1 ZINC000448132553 1196776294 /nfs/dbraw/zinc/77/62/94/1196776294.db2.gz MVALDSQIDACTDA-HDICACEKSA-N 0 3 380.493 0.158 20 0 GCADHN COc1ccc(Cn2nccc2NC(=O)C(=O)N(C)CCN(C)C)c(OC)c1 ZINC000527327820 1196779765 /nfs/dbraw/zinc/77/97/65/1196779765.db2.gz XQRKYMQSFLTZTG-UHFFFAOYSA-N 0 3 389.456 0.907 20 0 GCADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cn1 ZINC000448317751 1196789948 /nfs/dbraw/zinc/78/99/48/1196789948.db2.gz KDOPXFYIIJZBEG-AWEZNQCLSA-N 0 3 378.477 0.146 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000448299281 1196790225 /nfs/dbraw/zinc/79/02/25/1196790225.db2.gz SHFYVIXKZLIAML-OAHLLOKOSA-N 0 3 387.484 0.504 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000448323899 1196793021 /nfs/dbraw/zinc/79/30/21/1196793021.db2.gz ZWIWILFAMIEVAD-AWEZNQCLSA-N 0 3 382.486 0.509 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C ZINC000448367592 1196795509 /nfs/dbraw/zinc/79/55/09/1196795509.db2.gz RRVKJWRPDKCMCM-AWEZNQCLSA-N 0 3 381.477 0.337 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C ZINC000448367593 1196795778 /nfs/dbraw/zinc/79/57/78/1196795778.db2.gz RRVKJWRPDKCMCM-CQSZACIVSA-N 0 3 381.477 0.337 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](CO)[C@@H]3CCCO3)c2)CC1 ZINC000448389447 1196796603 /nfs/dbraw/zinc/79/66/03/1196796603.db2.gz RQXFJLWTSMWBQQ-MSOLQXFVSA-N 0 3 390.484 0.423 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](CO)[C@H]3CCCO3)c2)CC1 ZINC000448389448 1196796856 /nfs/dbraw/zinc/79/68/56/1196796856.db2.gz RQXFJLWTSMWBQQ-QZTJIDSGSA-N 0 3 390.484 0.423 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000527894000 1196822906 /nfs/dbraw/zinc/82/29/06/1196822906.db2.gz OWSLDGDHUNRWIZ-INIZCTEOSA-N 0 3 381.521 0.487 20 0 GCADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)C1CCCC1 ZINC001719904050 1196823674 /nfs/dbraw/zinc/82/36/74/1196823674.db2.gz PIFFQHRPALLIBL-ZACQAIPSSA-N 0 3 378.517 0.881 20 0 GCADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000528047203 1196830312 /nfs/dbraw/zinc/83/03/12/1196830312.db2.gz LXMROTVLTAZQFG-JTQLQIEISA-N 0 3 393.395 0.515 20 0 GCADHN O=C(Nc1nncs1)C1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000369031264 1196835707 /nfs/dbraw/zinc/83/57/07/1196835707.db2.gz BJDPWQJRDOELGS-ZIAGYGMSSA-N 0 3 394.501 0.761 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(Cn3ccnn3)cc2)CC1 ZINC000528359117 1196852028 /nfs/dbraw/zinc/85/20/28/1196852028.db2.gz ZNESESBCZARFBV-SFHVURJKSA-N 0 3 382.468 0.881 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(C(=O)N2CCOCC2)cc1)CN1CCN(C)CC1 ZINC000528560136 1196868326 /nfs/dbraw/zinc/86/83/26/1196868326.db2.gz GHVMMPAPYIROED-KRWDZBQOSA-N 0 3 388.512 0.772 20 0 GCADHN C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000528602139 1196870075 /nfs/dbraw/zinc/87/00/75/1196870075.db2.gz FZHQYGUXAVFWFH-UXPWSPDFSA-N 0 3 391.512 0.056 20 0 GCADHN COC(=O)CNC(=O)CCN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000370236187 1196880254 /nfs/dbraw/zinc/88/02/54/1196880254.db2.gz MUPOJWZSYOMGEJ-UHFFFAOYSA-N 0 3 375.469 0.833 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1C1CCOCC1 ZINC000528847360 1196890661 /nfs/dbraw/zinc/89/06/61/1196890661.db2.gz VVBNDHQARKREOX-GOSISDBHSA-N 0 3 389.500 0.922 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000529340853 1196916311 /nfs/dbraw/zinc/91/63/11/1196916311.db2.gz HQYKRMSWUUYLQE-MRXNPFEDSA-N 0 3 393.488 0.916 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000529340073 1196916420 /nfs/dbraw/zinc/91/64/20/1196916420.db2.gz HQYKRMSWUUYLQE-INIZCTEOSA-N 0 3 393.488 0.916 20 0 GCADHN CC(C)(CNC(=O)N1CCC[C@H](n2cc(CN)nn2)C1)C(=O)N1CCCC1 ZINC000529381541 1196918922 /nfs/dbraw/zinc/91/89/22/1196918922.db2.gz DQIDYZYEOOBSOK-HNNXBMFYSA-N 0 3 377.493 0.732 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)ccc1F ZINC000665961383 1196925441 /nfs/dbraw/zinc/92/54/41/1196925441.db2.gz SHHTWPOMYCCINN-UHFFFAOYSA-N 0 3 392.439 0.594 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000120875591 1196925882 /nfs/dbraw/zinc/92/58/82/1196925882.db2.gz ZEOHOVZGXGAWKA-IEBWSBKVSA-N 0 3 398.507 0.976 20 0 GCADHN COCCc1noc(CC2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)n1 ZINC000529731790 1196932733 /nfs/dbraw/zinc/93/27/33/1196932733.db2.gz BBUORNIJTQOZMU-MRXNPFEDSA-N 0 3 377.489 0.430 20 0 GCADHN Cc1c(C(=O)NC[C@@H]2CCN2C2CCCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000530022648 1196957228 /nfs/dbraw/zinc/95/72/28/1196957228.db2.gz JAVCSQHBKCDOJR-AWEZNQCLSA-N 0 3 385.468 0.687 20 0 GCADHN CCc1c(C(=O)NC[C@@H]2CCN2C2CCCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000530024790 1196957239 /nfs/dbraw/zinc/95/72/39/1196957239.db2.gz XHRSKJSCBFJDMZ-AWEZNQCLSA-N 0 3 399.495 0.941 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)n1 ZINC000450866234 1196958006 /nfs/dbraw/zinc/95/80/06/1196958006.db2.gz WPWUCVLWWONWQP-ZIAGYGMSSA-N 0 3 399.499 0.140 20 0 GCADHN Cn1cc(C[C@H]2CC(=O)N(CN3CCC(C)(N4CCOCC4)CC3)C2=O)cn1 ZINC000530102828 1196962077 /nfs/dbraw/zinc/96/20/77/1196962077.db2.gz APZXBHYCUNBARM-KRWDZBQOSA-N 0 3 389.500 0.482 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)CCOCc2ccccc2)C1 ZINC000451160292 1196975872 /nfs/dbraw/zinc/97/58/72/1196975872.db2.gz UQLCYBZHFGCSLF-KRWDZBQOSA-N 0 3 383.514 0.710 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000451224875 1196981318 /nfs/dbraw/zinc/98/13/18/1196981318.db2.gz DHBWGKDYFBYCLL-OAHLLOKOSA-N 0 3 381.498 0.577 20 0 GCADHN CNC(=O)c1ccc(CS(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000451225961 1196981337 /nfs/dbraw/zinc/98/13/37/1196981337.db2.gz ICSACHLGIMUIBS-KRWDZBQOSA-N 0 3 383.514 0.558 20 0 GCADHN C[C@H](CNC(=O)C1CCN(C(=O)N2CCCC2)CC1)CN1CCN(C)CC1 ZINC000121735629 1196984299 /nfs/dbraw/zinc/98/42/99/1196984299.db2.gz FTDYWYSRJFRWLB-QGZVFWFLSA-N 0 3 379.549 0.914 20 0 GCADHN COC[C@@]1(C(=O)OC)CCN([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000451332818 1196988963 /nfs/dbraw/zinc/98/89/63/1196988963.db2.gz IRDQTXFONJERFB-OXJNMPFZSA-N 0 3 390.484 0.630 20 0 GCADHN COC[C@@]1(C(=O)OC)CCN(CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000451332494 1196988987 /nfs/dbraw/zinc/98/89/87/1196988987.db2.gz HLSISVULSCKANP-GOSISDBHSA-N 0 3 384.498 0.960 20 0 GCADHN CC(C)N(C)CCNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC000451437876 1196994043 /nfs/dbraw/zinc/99/40/43/1196994043.db2.gz YNTNYZMWUFWQLJ-UHFFFAOYSA-N 0 3 397.497 0.559 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NCCCCN2CCN(C)CC2)c(F)c1 ZINC000530534556 1196994669 /nfs/dbraw/zinc/99/46/69/1196994669.db2.gz AESGOSNPLQTKKA-UHFFFAOYSA-N 0 3 387.477 0.918 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)c(F)c1 ZINC000530533240 1196994708 /nfs/dbraw/zinc/99/47/08/1196994708.db2.gz VOEBGZUZAOKKKQ-CQSZACIVSA-N 0 3 388.461 0.983 20 0 GCADHN COCCN(C(=O)CN[C@@H]1C[C@H](OC(C)C)C1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000451493682 1196995346 /nfs/dbraw/zinc/99/53/46/1196995346.db2.gz JONHVEOYLLXODJ-OAGGEKHMSA-N 0 3 390.546 0.830 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451491392 1196995494 /nfs/dbraw/zinc/99/54/94/1196995494.db2.gz BOCFZJMOBGMSKD-JQAFLVLXSA-N 0 3 385.486 0.930 20 0 GCADHN CCc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1S(N)(=O)=O ZINC000530568149 1196996838 /nfs/dbraw/zinc/99/68/38/1196996838.db2.gz RRAFJEXFPNIKSY-GFCCVEGCSA-N 0 3 382.486 0.293 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC1=O ZINC000530572970 1196997684 /nfs/dbraw/zinc/99/76/84/1196997684.db2.gz ZSMXSUJOCQTGGV-CYBMUJFWSA-N 0 3 387.440 0.434 20 0 GCADHN CO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C ZINC000451563118 1196998792 /nfs/dbraw/zinc/99/87/92/1196998792.db2.gz JPZGBVHBQUTGRY-SJLPKXTDSA-N 0 3 395.525 0.876 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000530607328 1196999270 /nfs/dbraw/zinc/99/92/70/1196999270.db2.gz OOXXIBAAEPBIFQ-AEFFLSMTSA-N 0 3 390.532 0.937 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000530682375 1197005457 /nfs/dbraw/zinc/00/54/57/1197005457.db2.gz OPLPEYSOVRUXTN-GFCCVEGCSA-N 0 3 382.486 0.300 20 0 GCADHN C[C@@H]1CN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H](C)N1CCO ZINC000451671924 1197006221 /nfs/dbraw/zinc/00/62/21/1197006221.db2.gz ZWYZZOOOXARCJQ-IYBDPMFKSA-N 0 3 385.530 0.703 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c(OC)c1 ZINC000451662415 1197008105 /nfs/dbraw/zinc/00/81/05/1197008105.db2.gz IRXQKYYNHBHYFS-UXLLHSPISA-N 0 3 396.484 0.608 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000122199702 1197014047 /nfs/dbraw/zinc/01/40/47/1197014047.db2.gz ITLHHFONQDMZHG-HNNXBMFYSA-N 0 3 387.440 0.902 20 0 GCADHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000451774482 1197015108 /nfs/dbraw/zinc/01/51/08/1197015108.db2.gz OOBQZSCPMNTXHK-CVEARBPZSA-N 0 3 397.497 0.314 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(=O)Nc1cccnc1 ZINC000530767492 1197015117 /nfs/dbraw/zinc/01/51/17/1197015117.db2.gz CIXNNZCVEHMOOE-OAHLLOKOSA-N 0 3 376.461 0.262 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)N(C)CC(=O)N3CCOCC3)CC2)c1 ZINC000530816239 1197018923 /nfs/dbraw/zinc/01/89/23/1197018923.db2.gz JDNFNCDRRVPIGD-UHFFFAOYSA-N 0 3 388.512 0.824 20 0 GCADHN O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000530845661 1197023037 /nfs/dbraw/zinc/02/30/37/1197023037.db2.gz WHNLFBCPVLJHTH-INIZCTEOSA-N 0 3 399.451 0.374 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000530868431 1197023425 /nfs/dbraw/zinc/02/34/25/1197023425.db2.gz RNYCYCIYZKKWFT-UHFFFAOYSA-N 0 3 392.566 0.893 20 0 GCADHN CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000530901720 1197025665 /nfs/dbraw/zinc/02/56/65/1197025665.db2.gz RNGQQWVRZQDKKJ-SFHVURJKSA-N 0 3 378.498 0.928 20 0 GCADHN O=C(NCCNS(=O)(=O)Cc1ccon1)N1CCN(C2CCCC2)CC1 ZINC000530943573 1197030112 /nfs/dbraw/zinc/03/01/12/1197030112.db2.gz REIQOTWMOPYTTC-UHFFFAOYSA-N 0 3 385.490 0.364 20 0 GCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1F)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451994745 1197032262 /nfs/dbraw/zinc/03/22/62/1197032262.db2.gz WYQMOTUEDDRWKX-OKILXGFUSA-N 0 3 387.477 0.647 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CN1C1CC1 ZINC000531006448 1197035869 /nfs/dbraw/zinc/03/58/69/1197035869.db2.gz JKSWKFMPFNSVFC-GJZGRUSLSA-N 0 3 393.513 0.723 20 0 GCADHN CCN1CCN(CCC(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375411633 1197039246 /nfs/dbraw/zinc/03/92/46/1197039246.db2.gz FWHDWIAXAWOPMG-IBGZPJMESA-N 0 3 378.521 0.697 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1 ZINC000531045095 1197041891 /nfs/dbraw/zinc/04/18/91/1197041891.db2.gz HBBIMOPSFCOBIE-JTQLQIEISA-N 0 3 389.424 0.765 20 0 GCADHN O=C(CN1CC[C@@H](CCCO)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000452136345 1197042615 /nfs/dbraw/zinc/04/26/15/1197042615.db2.gz XYPVZWURANJGEJ-QGZVFWFLSA-N 0 3 395.525 0.614 20 0 GCADHN NS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000665989492 1197048699 /nfs/dbraw/zinc/04/86/99/1197048699.db2.gz MJQBHLPLMZOYJA-DLBZAZTESA-N 0 3 380.514 0.855 20 0 GCADHN Cn1cc(N2CCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC2=O)cn1 ZINC000531181005 1197052263 /nfs/dbraw/zinc/05/22/63/1197052263.db2.gz BHEMVYJFPYDDEJ-KRWDZBQOSA-N 0 3 382.468 0.903 20 0 GCADHN O=C(Cn1cc(C(=O)NC[C@@H]2CCCN2CCCO)cn1)NC1CCCC1 ZINC000452358086 1197054778 /nfs/dbraw/zinc/05/47/78/1197054778.db2.gz FWMVJHQXAWTTQU-KRWDZBQOSA-N 0 3 377.489 0.519 20 0 GCADHN Cn1c(C(=O)N[C@H]2CCCN(CCCO)C2)cc2c1nc1ccccn1c2=O ZINC000452382173 1197054923 /nfs/dbraw/zinc/05/49/23/1197054923.db2.gz LMWORXQLYXQAHX-AWEZNQCLSA-N 0 3 383.452 0.763 20 0 GCADHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000452384847 1197055928 /nfs/dbraw/zinc/05/59/28/1197055928.db2.gz SBSXCAWGIQUKLE-FGTMMUONSA-N 0 3 379.501 0.391 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCN(CCCO)C2)cc1C ZINC000452374141 1197057443 /nfs/dbraw/zinc/05/74/43/1197057443.db2.gz JHMKXQJGCPIAPQ-QGZVFWFLSA-N 0 3 397.541 0.935 20 0 GCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@H]1CCCN(CCCO)C1)C2=O ZINC000452376055 1197057512 /nfs/dbraw/zinc/05/75/12/1197057512.db2.gz NNTNYLQHWOBDGP-VCBZYWHSSA-N 0 3 380.489 0.450 20 0 GCADHN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CCCN(CCCO)C1)C2=O ZINC000452376048 1197057613 /nfs/dbraw/zinc/05/76/13/1197057613.db2.gz NNTNYLQHWOBDGP-CLCXKQKWSA-N 0 3 380.489 0.450 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)NC[C@@H]2CCCCN2CCO)[C@H]1c1ccccc1 ZINC000452377569 1197057799 /nfs/dbraw/zinc/05/77/99/1197057799.db2.gz MYXOXJZJMUSQJO-SXLOBPIMSA-N 0 3 389.496 0.938 20 0 GCADHN CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CCCN(CCCO)C3)ccc21 ZINC000452374774 1197057869 /nfs/dbraw/zinc/05/78/69/1197057869.db2.gz KSUAUPIAUNTUKY-INIZCTEOSA-N 0 3 381.498 0.585 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000452377680 1197058102 /nfs/dbraw/zinc/05/81/02/1197058102.db2.gz RWAKDGMRJNJMDZ-QGZVFWFLSA-N 0 3 397.541 0.935 20 0 GCADHN Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000122711791 1197058378 /nfs/dbraw/zinc/05/83/78/1197058378.db2.gz ZRGPLXLNTNYISK-INIZCTEOSA-N 0 3 391.497 0.479 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)CC1=O ZINC000376038409 1197062989 /nfs/dbraw/zinc/06/29/89/1197062989.db2.gz JDQASSPWYXYEKP-LSDHHAIUSA-N 0 3 387.440 0.296 20 0 GCADHN CCOC(=O)C1(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCC1 ZINC000531483171 1197078123 /nfs/dbraw/zinc/07/81/23/1197078123.db2.gz XNNFPXQGJKHYPL-OAHLLOKOSA-N 0 3 382.505 0.962 20 0 GCADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000531484964 1197079550 /nfs/dbraw/zinc/07/95/50/1197079550.db2.gz DXZKXFDESDHZOC-BRWVUGGUSA-N 0 3 393.532 0.186 20 0 GCADHN CC(C)Cn1cnc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000123139865 1197080592 /nfs/dbraw/zinc/08/05/92/1197080592.db2.gz OIFVORNPQCCXRS-HNNXBMFYSA-N 0 3 383.518 0.466 20 0 GCADHN COc1cccc(C[C@@H](NC(C)=O)C(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000452797110 1197082802 /nfs/dbraw/zinc/08/28/02/1197082802.db2.gz ORKOXHYUQWXEKG-PKOBYXMFSA-N 0 3 377.485 0.705 20 0 GCADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000531556187 1197083187 /nfs/dbraw/zinc/08/31/87/1197083187.db2.gz MPXPWWJTJFYGTI-NUJGCVRESA-N 0 3 393.532 0.044 20 0 GCADHN Cc1oc(C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1S(N)(=O)=O ZINC000531583111 1197085715 /nfs/dbraw/zinc/08/57/15/1197085715.db2.gz DIMIARYJVYCDKJ-AWEZNQCLSA-N 0 3 384.502 0.476 20 0 GCADHN C[C@H]1C[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)CN1Cc1ccccc1 ZINC000531597799 1197086916 /nfs/dbraw/zinc/08/69/16/1197086916.db2.gz PAIVRZCEZGCMCW-WMZOPIPTSA-N 0 3 394.541 0.343 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)CC1 ZINC000375473752 1197088060 /nfs/dbraw/zinc/08/80/60/1197088060.db2.gz WSIGWIYEDNANKC-IBGZPJMESA-N 0 3 394.520 0.963 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000531645277 1197089365 /nfs/dbraw/zinc/08/93/65/1197089365.db2.gz VAVJFWSLQSGPFA-AWEZNQCLSA-N 0 3 398.529 0.499 20 0 GCADHN CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000531644958 1197089449 /nfs/dbraw/zinc/08/94/49/1197089449.db2.gz DLLZGWAINHBWED-RBUKOAKNSA-N 0 3 379.549 0.214 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)N[C@H]3CC(=O)N([C@H]4C[C@H]4C)C3)C2)CC1 ZINC000531838314 1197100014 /nfs/dbraw/zinc/10/00/14/1197100014.db2.gz VUNZWQQIYAPRER-OWSLCNJRSA-N 0 3 377.533 0.806 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1)N1CCCC1 ZINC000531840181 1197100101 /nfs/dbraw/zinc/10/01/01/1197100101.db2.gz XOPHTBJBAQBXFB-LBPRGKRZSA-N 0 3 385.461 0.909 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)C2)CC1 ZINC000531838313 1197100155 /nfs/dbraw/zinc/10/01/55/1197100155.db2.gz VUNZWQQIYAPRER-BDXSIMOUSA-N 0 3 377.533 0.806 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000532067779 1197109861 /nfs/dbraw/zinc/10/98/61/1197109861.db2.gz NBOYAERUFYFRGM-RHSMWYFYSA-N 0 3 393.513 0.580 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532078171 1197111893 /nfs/dbraw/zinc/11/18/93/1197111893.db2.gz WDWHXAOIMXJTKT-DYVFJYSZSA-N 0 3 389.500 0.859 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532078171 1197111894 /nfs/dbraw/zinc/11/18/94/1197111894.db2.gz WDWHXAOIMXJTKT-DYVFJYSZSA-N 0 3 389.500 0.859 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000453614953 1197114287 /nfs/dbraw/zinc/11/42/87/1197114287.db2.gz QIYAAOQGECJKFY-STQMWFEESA-N 0 3 376.457 0.969 20 0 GCADHN CC(C)c1ncsc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000453668666 1197118956 /nfs/dbraw/zinc/11/89/56/1197118956.db2.gz HWLLHWYUHJQAMQ-ZDUSSCGKSA-N 0 3 393.513 0.970 20 0 GCADHN O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000453680870 1197122418 /nfs/dbraw/zinc/12/24/18/1197122418.db2.gz VPRNTKSLJPLAHQ-QAPCUYQASA-N 0 3 386.452 0.937 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000532196881 1197125160 /nfs/dbraw/zinc/12/51/60/1197125160.db2.gz VKVKZTMGZMWXAB-RCCFBDPRSA-N 0 3 398.573 0.982 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000453743683 1197127927 /nfs/dbraw/zinc/12/79/27/1197127927.db2.gz QTCSOQVGDQWGEG-HNNXBMFYSA-N 0 3 376.457 0.969 20 0 GCADHN CN(C[C@H](O)CO)C(=O)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000453750302 1197130325 /nfs/dbraw/zinc/13/03/25/1197130325.db2.gz NEBOIRKVIKIZRZ-ZDUSSCGKSA-N 0 3 399.875 0.563 20 0 GCADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cn1 ZINC000532233846 1197130419 /nfs/dbraw/zinc/13/04/19/1197130419.db2.gz RXBQUQIXRKGOHC-ZDUSSCGKSA-N 0 3 379.461 0.578 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000453757775 1197131265 /nfs/dbraw/zinc/13/12/65/1197131265.db2.gz GQSQMCDMOZFNRE-HLLBOEOZSA-N 0 3 391.516 1.355 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1cccnc1N1CCCCC1 ZINC000453802079 1197137386 /nfs/dbraw/zinc/13/73/86/1197137386.db2.gz BLAABZWSJCGIMK-MRXNPFEDSA-N 0 3 389.500 0.973 20 0 GCADHN COC(=O)c1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453803890 1197137985 /nfs/dbraw/zinc/13/79/85/1197137985.db2.gz GXBRDGXZQUBFAY-ZDUSSCGKSA-N 0 3 381.404 0.514 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000453807045 1197138764 /nfs/dbraw/zinc/13/87/64/1197138764.db2.gz OJSWDXNRTVFFNL-LLVKDONJSA-N 0 3 383.832 0.970 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000453805908 1197139021 /nfs/dbraw/zinc/13/90/21/1197139021.db2.gz MLXZYXSTGYHGCR-QGZVFWFLSA-N 0 3 388.468 0.715 20 0 GCADHN CN(C)c1nc2cc(NC(=O)C(=O)NC[C@H]3CCCN3CCCO)ccc2o1 ZINC000453807670 1197139405 /nfs/dbraw/zinc/13/94/05/1197139405.db2.gz PNIJCXRMVPURGG-CQSZACIVSA-N 0 3 389.456 0.795 20 0 GCADHN CCOC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000453808637 1197139488 /nfs/dbraw/zinc/13/94/88/1197139488.db2.gz RVERKADANHLHNI-MRXNPFEDSA-N 0 3 377.441 0.765 20 0 GCADHN CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cc1OC ZINC000453808713 1197139560 /nfs/dbraw/zinc/13/95/60/1197139560.db2.gz SIBGUJDYPGSKOW-HNNXBMFYSA-N 0 3 379.457 0.995 20 0 GCADHN CCOC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC000453808635 1197139571 /nfs/dbraw/zinc/13/95/71/1197139571.db2.gz RVERKADANHLHNI-INIZCTEOSA-N 0 3 377.441 0.765 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1cccnc1OCC(F)F ZINC000453810102 1197140194 /nfs/dbraw/zinc/14/01/94/1197140194.db2.gz WLDOXFDLTDJLEZ-LBPRGKRZSA-N 0 3 386.399 0.627 20 0 GCADHN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453911140 1197149533 /nfs/dbraw/zinc/14/95/33/1197149533.db2.gz BGYRJAUVPMYUNE-GOEBONIOSA-N 0 3 388.468 0.888 20 0 GCADHN CCN1CCO[C@@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[C@@H]1c1ccccc1 ZINC000666029946 1197151928 /nfs/dbraw/zinc/15/19/28/1197151928.db2.gz GVMHMMOLVFBILZ-VJANTYMQSA-N 0 3 376.501 0.765 20 0 GCADHN CC(C)(O)CN1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000171149490 1197157567 /nfs/dbraw/zinc/15/75/67/1197157567.db2.gz LMEYTAPHNRYUOA-UHFFFAOYSA-N 0 3 375.517 0.509 20 0 GCADHN COc1ccc(CN2CCN(C(=O)CN3C[C@H](C(N)=O)CC[C@H]3C)CC2)cc1 ZINC000171925282 1197159134 /nfs/dbraw/zinc/15/91/34/1197159134.db2.gz KEGDWMJYGLHHHI-SJLPKXTDSA-N 0 3 388.512 0.925 20 0 GCADHN CN(C)C1(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)C[C@H]3C2)CCC1 ZINC000986257818 1197161997 /nfs/dbraw/zinc/16/19/97/1197161997.db2.gz CXJSHBCLBQOOGG-TWMKSMIVSA-N 0 3 390.528 0.679 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1(C)C ZINC000262786605 1197162460 /nfs/dbraw/zinc/16/24/60/1197162460.db2.gz MOUPKDZUIDXMIQ-MLGOLLRUSA-N 0 3 397.488 0.900 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC000986283108 1197162598 /nfs/dbraw/zinc/16/25/98/1197162598.db2.gz MBDCUXMSOWZZMM-ATLSCFEFSA-N 0 3 390.528 0.502 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000666049165 1197163140 /nfs/dbraw/zinc/16/31/40/1197163140.db2.gz AWOOCZKSLLQKPM-UHFFFAOYSA-N 0 3 399.517 0.387 20 0 GCADHN CN1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H](N4CC=CC4)C3)c2)CC1 ZINC000173215043 1197176140 /nfs/dbraw/zinc/17/61/40/1197176140.db2.gz YENYFNHGFQNOJO-FQEVSTJZSA-N 0 3 397.523 0.845 20 0 GCADHN CCc1nsc(N2CCCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)n1 ZINC000173483687 1197177086 /nfs/dbraw/zinc/17/70/86/1197177086.db2.gz SZJDNDQSUBRYKH-CQSZACIVSA-N 0 3 394.545 0.549 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1C ZINC000453921890 1197177173 /nfs/dbraw/zinc/17/71/73/1197177173.db2.gz UEBFSMMKSDFJGR-DOMZBBRYSA-N 0 3 380.470 0.052 20 0 GCADHN CCc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)C2)ncn1 ZINC000174814392 1197182674 /nfs/dbraw/zinc/18/26/74/1197182674.db2.gz BYMHGDMAWBGFFB-WBVHZDCISA-N 0 3 388.516 0.534 20 0 GCADHN C[C@@H](CNC(=O)N1CCCN(c2cccnn2)CC1)CN1CCN(C)CC1 ZINC000175774629 1197185707 /nfs/dbraw/zinc/18/57/07/1197185707.db2.gz IHZZMQNGBAUEQI-KRWDZBQOSA-N 0 3 375.521 0.582 20 0 GCADHN O=C(CSCC(=O)N1CCOCC1)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428529769 1197190246 /nfs/dbraw/zinc/19/02/46/1197190246.db2.gz IBBRYUCSOMAMRP-QGZVFWFLSA-N 0 3 393.509 0.784 20 0 GCADHN O=C(CSCC(=O)N1CCOCC1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428529768 1197190455 /nfs/dbraw/zinc/19/04/55/1197190455.db2.gz IBBRYUCSOMAMRP-KRWDZBQOSA-N 0 3 393.509 0.784 20 0 GCADHN O=C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000179514862 1197198662 /nfs/dbraw/zinc/19/86/62/1197198662.db2.gz QPWPMLVYGLDPFM-MRXNPFEDSA-N 0 3 386.500 0.942 20 0 GCADHN O=C(CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000179514862 1197198664 /nfs/dbraw/zinc/19/86/64/1197198664.db2.gz QPWPMLVYGLDPFM-MRXNPFEDSA-N 0 3 386.500 0.942 20 0 GCADHN Cc1nn(C)c(N2CCOCC2)c1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000180142750 1197200764 /nfs/dbraw/zinc/20/07/64/1197200764.db2.gz OJKHIVYYQUDWRM-SFHVURJKSA-N 0 3 390.532 0.304 20 0 GCADHN Cc1nn(C)c(N2CCOCC2)c1CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000180142772 1197200863 /nfs/dbraw/zinc/20/08/63/1197200863.db2.gz OJKHIVYYQUDWRM-GOSISDBHSA-N 0 3 390.532 0.304 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC[C@H](CN2CCC(C)CC2)C1 ZINC000666111606 1197204804 /nfs/dbraw/zinc/20/48/04/1197204804.db2.gz XXOQQAVNRDZTQA-BRWVUGGUSA-N 0 3 387.546 0.952 20 0 GCADHN CC(C)C(=O)N1CCCN(CC(O)CN2CCCN(C(=O)C(C)C)CC2)CC1 ZINC000181799524 1197205709 /nfs/dbraw/zinc/20/57/09/1197205709.db2.gz VSNRSXYZYNMJOV-UHFFFAOYSA-N 0 3 396.576 0.728 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000475757526 1197208819 /nfs/dbraw/zinc/20/88/19/1197208819.db2.gz LTBODVGFHMLUTE-NSHDSACASA-N 0 3 397.423 0.311 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC000666119683 1197210025 /nfs/dbraw/zinc/21/00/25/1197210025.db2.gz NEIBIIXHZPRLEN-UHFFFAOYSA-N 0 3 385.490 0.078 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1 ZINC000428536636 1197213811 /nfs/dbraw/zinc/21/38/11/1197213811.db2.gz RZEGNVMXQIOFOI-QGZVFWFLSA-N 0 3 396.513 0.368 20 0 GCADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CN3CCCC3)CC[C@@H]2C1 ZINC000986694757 1197219208 /nfs/dbraw/zinc/21/92/08/1197219208.db2.gz NMWODXOJXANGDN-XMTFNYHQSA-N 0 3 385.512 0.926 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C[C@H]1N(C)C ZINC000760208678 1197224862 /nfs/dbraw/zinc/22/48/62/1197224862.db2.gz RAVGDIPGOFGAEO-ARFHVFGLSA-N 0 3 375.498 0.611 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)C[C@@H]1N(C)C ZINC000760208611 1197225239 /nfs/dbraw/zinc/22/52/39/1197225239.db2.gz OUIZUHYDLJUWKJ-VHDGCEQUSA-N 0 3 375.498 0.829 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)C[C@@H]1N(C)C ZINC000760208605 1197225340 /nfs/dbraw/zinc/22/53/40/1197225340.db2.gz OUIZUHYDLJUWKJ-AEGPPILISA-N 0 3 375.498 0.829 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N(C)CCN(C)C2CC2)ccc1F ZINC000187719745 1197232066 /nfs/dbraw/zinc/23/20/66/1197232066.db2.gz GDKKKDIEOGRIES-UHFFFAOYSA-N 0 3 375.408 0.601 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC(COC)COC)c2)CC1 ZINC000453937827 1197232648 /nfs/dbraw/zinc/23/26/48/1197232648.db2.gz PGROLDSNQLRWEB-UHFFFAOYSA-N 0 3 378.473 0.545 20 0 GCADHN O=C(CNC(=O)c1[nH]nc2c1CNCC2)N1CCN(Cc2ccccc2)CC1 ZINC000188752393 1197234017 /nfs/dbraw/zinc/23/40/17/1197234017.db2.gz ZLLTYIVYYXECTP-UHFFFAOYSA-N 0 3 382.468 0.130 20 0 GCADHN CC(=O)N1CCN(Cc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)CC1 ZINC000188998561 1197234369 /nfs/dbraw/zinc/23/43/69/1197234369.db2.gz XPNXDXGKXLIVCT-UHFFFAOYSA-N 0 3 382.468 0.972 20 0 GCADHN CCn1cc([C@@H]2CN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)CCO2)cn1 ZINC000189288262 1197235519 /nfs/dbraw/zinc/23/55/19/1197235519.db2.gz KKUNICXLHUPZIN-AEFFLSMTSA-N 0 3 378.521 0.869 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428542710 1197236102 /nfs/dbraw/zinc/23/61/02/1197236102.db2.gz FIJYZUOTMUUJSH-QGZVFWFLSA-N 0 3 399.513 0.536 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1S(=O)(=O)N(C)C ZINC000453939653 1197236784 /nfs/dbraw/zinc/23/67/84/1197236784.db2.gz TXRZCVXLLJBLGV-DZGCQCFKSA-N 0 3 394.497 0.346 20 0 GCADHN CCN1CCN(CCNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000189794487 1197238561 /nfs/dbraw/zinc/23/85/61/1197238561.db2.gz ZNHOTTGVDJJFRJ-QZTJIDSGSA-N 0 3 378.517 0.181 20 0 GCADHN CCN1CCN(CCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000189794449 1197238654 /nfs/dbraw/zinc/23/86/54/1197238654.db2.gz ZNHOTTGVDJJFRJ-MSOLQXFVSA-N 0 3 378.517 0.181 20 0 GCADHN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)n1 ZINC000192009061 1197244785 /nfs/dbraw/zinc/24/47/85/1197244785.db2.gz AQELDFSKRDTSFG-OAHLLOKOSA-N 0 3 383.456 0.914 20 0 GCADHN Cc1c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cnn1-c1ccccn1 ZINC000103122432 1197263181 /nfs/dbraw/zinc/26/31/81/1197263181.db2.gz VQRAZNAUPRHSIZ-UHFFFAOYSA-N 0 3 382.468 0.956 20 0 GCADHN CNC(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000453963980 1197267353 /nfs/dbraw/zinc/26/73/53/1197267353.db2.gz AXIRCVAQFCOAAB-OAHLLOKOSA-N 0 3 389.500 0.796 20 0 GCADHN CNS(=O)(=O)N1CCC(c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)CC1 ZINC000350194030 1197271871 /nfs/dbraw/zinc/27/18/71/1197271871.db2.gz VJEGFQDIUKEBCT-STQMWFEESA-N 0 3 382.490 0.569 20 0 GCADHN CCC[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)S(N)(=O)=O ZINC000666431586 1197275153 /nfs/dbraw/zinc/27/51/53/1197275153.db2.gz WJYWEJOZKDNSDA-KRWDZBQOSA-N 0 3 382.530 0.507 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)NC)c(C)c2)CC1 ZINC000453968829 1197278337 /nfs/dbraw/zinc/27/83/37/1197278337.db2.gz INLQNMLFZZKORX-HNNXBMFYSA-N 0 3 389.500 0.716 20 0 GCADHN CC(C)CN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CCN(C)CC1 ZINC000053231974 1197279018 /nfs/dbraw/zinc/27/90/18/1197279018.db2.gz RVDCISMBSAWKHG-DOTOQJQBSA-N 0 3 399.557 0.601 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000123768825 1197288065 /nfs/dbraw/zinc/28/80/65/1197288065.db2.gz XGLVMQIVWZFESF-MRXNPFEDSA-N 0 3 384.484 0.953 20 0 GCADHN C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1nnc2n1CCCCC2 ZINC000888164595 1197291699 /nfs/dbraw/zinc/29/16/99/1197291699.db2.gz PSGVMMRELNLJFE-ZIAGYGMSSA-N 0 3 377.493 0.827 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@@H]1CN3CCC[C@H]3CO1)CCO2 ZINC000888167334 1197303176 /nfs/dbraw/zinc/30/31/76/1197303176.db2.gz HWSRBUVQVCYALK-AOZDQCPJSA-N 0 3 381.473 0.650 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C)CC[N@@H+]1C ZINC000988329834 1197309434 /nfs/dbraw/zinc/30/94/34/1197309434.db2.gz AJBUHLVRXIWWLF-CBBWQLFWSA-N 0 3 375.473 0.940 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C)CC[N@H+]1C ZINC000988329834 1197309437 /nfs/dbraw/zinc/30/94/37/1197309437.db2.gz AJBUHLVRXIWWLF-CBBWQLFWSA-N 0 3 375.473 0.940 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1 ZINC000454081164 1197320472 /nfs/dbraw/zinc/32/04/72/1197320472.db2.gz BYFTZPXBAQDEOP-MRXNPFEDSA-N 0 3 386.456 0.451 20 0 GCADHN CCN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC000104192487 1197325622 /nfs/dbraw/zinc/32/56/22/1197325622.db2.gz DYFITXJSSGPHBV-MRXNPFEDSA-N 0 3 397.545 0.981 20 0 GCADHN CNC(=O)[C@H]1CCCN([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000532559144 1197328173 /nfs/dbraw/zinc/32/81/73/1197328173.db2.gz SPMFUWNBONMOEB-HOCLYGCPSA-N 0 3 375.469 0.963 20 0 GCADHN CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000897453194 1197333646 /nfs/dbraw/zinc/33/36/46/1197333646.db2.gz FUJKRBBLFLLCRV-RBUKOAKNSA-N 0 3 389.496 0.813 20 0 GCADHN CC(C)[C@H](C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)N(C)C ZINC000112503669 1197334945 /nfs/dbraw/zinc/33/49/45/1197334945.db2.gz ALYSXRKJUAXGTG-VQIMIIECSA-N 0 3 390.532 0.984 20 0 GCADHN CCN1CCN(CCNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000112918375 1197335392 /nfs/dbraw/zinc/33/53/92/1197335392.db2.gz GXQPULIXYZRKMC-UHFFFAOYSA-N 0 3 397.479 0.377 20 0 GCADHN CCN1CC[C@@H]1CNC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000897462057 1197338060 /nfs/dbraw/zinc/33/80/60/1197338060.db2.gz DXBYPIMEFDNSLE-LJQANCHMSA-N 0 3 387.528 0.525 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000119292904 1197339832 /nfs/dbraw/zinc/33/98/32/1197339832.db2.gz MRALKZWJKXIMND-QEJZJMRPSA-N 0 3 384.502 0.901 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000119292904 1197339836 /nfs/dbraw/zinc/33/98/36/1197339836.db2.gz MRALKZWJKXIMND-QEJZJMRPSA-N 0 3 384.502 0.901 20 0 GCADHN O=C(NC1CC1)[C@H]1CCCN1CC1(CN2CCC[C@@H]2C(=O)NC2CC2)COC1 ZINC000119420960 1197340411 /nfs/dbraw/zinc/34/04/11/1197340411.db2.gz MSHBYIJGFUWMFA-QZTJIDSGSA-N 0 3 390.528 0.489 20 0 GCADHN CCC[C@@H](C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)S(N)(=O)=O ZINC000666648275 1197342375 /nfs/dbraw/zinc/34/23/75/1197342375.db2.gz XZNYNUAHTUPQKF-INIZCTEOSA-N 0 3 396.513 0.780 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)CN1CCN(C)CC1 ZINC000332951912 1197347750 /nfs/dbraw/zinc/34/77/50/1197347750.db2.gz CEBVBXKLXUWSTE-DLBZAZTESA-N 0 3 377.537 0.302 20 0 GCADHN C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)N1CCCC[C@H]1C ZINC000332965016 1197348216 /nfs/dbraw/zinc/34/82/16/1197348216.db2.gz LEBSTBYFTOXHAL-IXDOHACOSA-N 0 3 393.532 0.724 20 0 GCADHN CC(C)[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N1CCOCC1 ZINC000332968029 1197348421 /nfs/dbraw/zinc/34/84/21/1197348421.db2.gz HCHKUJHZDHZZNN-QZTJIDSGSA-N 0 3 395.548 0.291 20 0 GCADHN CS(=O)(=O)[C@H]1C[C@@H](Nc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)C1 ZINC001168250642 1197352381 /nfs/dbraw/zinc/35/23/81/1197352381.db2.gz PHFCXJKVJIOXFA-BETUJISGSA-N 0 3 388.515 0.151 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)CC1 ZINC000125238223 1197355011 /nfs/dbraw/zinc/35/50/11/1197355011.db2.gz GHXZPTIQWVYUDL-UHFFFAOYSA-N 0 3 388.447 0.704 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168260258 1197356049 /nfs/dbraw/zinc/35/60/49/1197356049.db2.gz MEZWVWXSPIXHBB-WFGGJUAMSA-N 0 3 391.468 0.323 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1F ZINC000127501161 1197361232 /nfs/dbraw/zinc/36/12/32/1197361232.db2.gz BZRFTJJLKUUQKB-MRXNPFEDSA-N 0 3 376.432 0.838 20 0 GCADHN COc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C(C)C)N(C)C)C3)ncn1 ZINC001719919615 1197367635 /nfs/dbraw/zinc/36/76/35/1197367635.db2.gz UOSPFGNDTOLIOH-LGWLGOQQSA-N 0 3 375.473 0.933 20 0 GCADHN CCN1CCN(CCC(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000171256600 1197374734 /nfs/dbraw/zinc/37/47/34/1197374734.db2.gz GBDHEXLYSCLCAJ-UHFFFAOYSA-N 0 3 382.530 0.250 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1=O ZINC000132279710 1197380025 /nfs/dbraw/zinc/38/00/25/1197380025.db2.gz NPHIRFMXSAXDJE-ZWKOTPCHSA-N 0 3 386.496 0.704 20 0 GCADHN O=C(CCN[C@]1(CO)CCc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000132356953 1197380051 /nfs/dbraw/zinc/38/00/51/1197380051.db2.gz UXTOCHKUCNPLEQ-NRFANRHFSA-N 0 3 381.480 0.939 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(CCCNS(=O)(=O)CC)CC2)CC1 ZINC000132769183 1197380993 /nfs/dbraw/zinc/38/09/93/1197380993.db2.gz AMJVTCYHIKPANL-UHFFFAOYSA-N 0 3 388.578 0.582 20 0 GCADHN CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)N[C@@H](CO)CN(C)C ZINC000614847492 1197387929 /nfs/dbraw/zinc/38/79/29/1197387929.db2.gz MDMNTRNFVCJHLT-VLIAUNLRSA-N 0 3 388.468 0.414 20 0 GCADHN C[C@H](Sc1ncccc1C(=O)N[C@H](CO)CN(C)C)C(=O)N1CCCC1 ZINC000614851425 1197388723 /nfs/dbraw/zinc/38/87/23/1197388723.db2.gz AGCYBFJYICRWNS-KBPBESRZSA-N 0 3 380.514 0.837 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000614850126 1197388914 /nfs/dbraw/zinc/38/89/14/1197388914.db2.gz SRYVYCIVQOUTLJ-HOTGVXAUSA-N 0 3 394.541 0.977 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000614850125 1197389010 /nfs/dbraw/zinc/38/90/10/1197389010.db2.gz SRYVYCIVQOUTLJ-CVEARBPZSA-N 0 3 394.541 0.977 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000614861162 1197391734 /nfs/dbraw/zinc/39/17/34/1197391734.db2.gz WUKXCYDAVCHYKY-OAHLLOKOSA-N 0 3 382.420 0.530 20 0 GCADHN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@H]2CN(CCN3CCCS3(=O)=O)C[C@H]21 ZINC001075906684 1197394634 /nfs/dbraw/zinc/39/46/34/1197394634.db2.gz VOIRXXRAZHKWKR-KLZNWCGWSA-N 0 3 393.513 0.081 20 0 GCADHN CC(C)Cc1nnc(NC(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000141467605 1197396223 /nfs/dbraw/zinc/39/62/23/1197396223.db2.gz KNOYURSKNNIGDG-CQSZACIVSA-N 0 3 394.545 0.914 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CC[C@H](c2nccs2)C1)CN1CCN(C)CC1 ZINC000897495378 1197402678 /nfs/dbraw/zinc/40/26/78/1197402678.db2.gz ZRNRQIWRGLKZRD-CABCVRRESA-N 0 3 379.530 0.459 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@]3(CO)CCC[C@@H]23)CC1 ZINC000897493906 1197402691 /nfs/dbraw/zinc/40/26/91/1197402691.db2.gz IRPLWUORFVQKIV-SQGPQFPESA-N 0 3 380.533 0.140 20 0 GCADHN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)COC3CNC3)CC2)c1C ZINC000429738584 1197404045 /nfs/dbraw/zinc/40/40/45/1197404045.db2.gz PCVCHHFYJSMNKM-UHFFFAOYSA-N 0 3 395.525 0.742 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCC(=O)N2CCCCCC2)CC1 ZINC000509672590 1197404065 /nfs/dbraw/zinc/40/40/65/1197404065.db2.gz VTDNPSAYZVYISJ-UHFFFAOYSA-N 0 3 395.548 0.975 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NCCCNC(=O)c1cccc(F)c1)c1ccccc1 ZINC000418959053 1197405985 /nfs/dbraw/zinc/40/59/85/1197405985.db2.gz GSTXPKBAEONJBQ-KRWDZBQOSA-N 0 3 386.427 0.878 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000514689577 1197407131 /nfs/dbraw/zinc/40/71/31/1197407131.db2.gz GAQKTOBZKIHOHG-UHFFFAOYSA-N 0 3 398.507 0.947 20 0 GCADHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000532759009 1197409390 /nfs/dbraw/zinc/40/93/90/1197409390.db2.gz YWYYHBKFUPCARZ-HOCLYGCPSA-N 0 3 398.463 0.930 20 0 GCADHN CS(=O)(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532798669 1197413496 /nfs/dbraw/zinc/41/34/96/1197413496.db2.gz WJGVSVHCRSDBMW-IAGOWNOFSA-N 0 3 380.514 0.691 20 0 GCADHN COC[C@H](CNC(=O)[C@@H]1CCN1C(C)(C)C)NC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897499534 1197413851 /nfs/dbraw/zinc/41/38/51/1197413851.db2.gz IULKDRSJKDDPHJ-JYJNAYRXSA-N 0 3 382.549 0.979 20 0 GCADHN CNc1nc(NCCc2ccncc2C)nc(NCCc2ccncc2C)n1 ZINC000532858635 1197416083 /nfs/dbraw/zinc/41/60/83/1197416083.db2.gz OCCJRSCEKRAGNA-UHFFFAOYSA-N 0 3 378.484 0.895 20 0 GCADHN O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)N[C@H]1CCN(C2CC2)C1 ZINC000532882800 1197417650 /nfs/dbraw/zinc/41/76/50/1197417650.db2.gz FLOLGBHWDPVROF-CABCVRRESA-N 0 3 384.488 0.877 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@](COC)(C(=O)OC)C2)CC1 ZINC000454603039 1197422754 /nfs/dbraw/zinc/42/27/54/1197422754.db2.gz AKTSXIZTTJDLAG-VQIMIIECSA-N 0 3 384.521 0.481 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@H](NC(=O)N(C)C)C2)CC1 ZINC000454605741 1197422771 /nfs/dbraw/zinc/42/27/71/1197422771.db2.gz BLYZVZKPPQWQCI-SJORKVTESA-N 0 3 382.553 0.705 20 0 GCADHN CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000454641587 1197424458 /nfs/dbraw/zinc/42/44/58/1197424458.db2.gz LMFUCJMXLXGPJX-AWEZNQCLSA-N 0 3 395.529 0.648 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000454666836 1197425321 /nfs/dbraw/zinc/42/53/21/1197425321.db2.gz XAGMCNCMRQEILR-OWCLPIDISA-N 0 3 379.505 0.334 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c(C)o1 ZINC000533174019 1197436944 /nfs/dbraw/zinc/43/69/44/1197436944.db2.gz BZABAVAXAFKMFM-LBPRGKRZSA-N 0 3 387.458 0.240 20 0 GCADHN O=C(NCCCN1CCOCC1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000245915103 1197438571 /nfs/dbraw/zinc/43/85/71/1197438571.db2.gz RTEKGVJGLBGTNU-RBUKOAKNSA-N 0 3 376.501 0.643 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@H](N3CCN(CC)CC3)C2)C1 ZINC000245932629 1197439791 /nfs/dbraw/zinc/43/97/91/1197439791.db2.gz QOJFPBPLVAZJDO-MSOLQXFVSA-N 0 3 380.533 0.500 20 0 GCADHN CC(C)Cn1nccc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000533319270 1197445545 /nfs/dbraw/zinc/44/55/45/1197445545.db2.gz LTDMBAZKQISYJG-OAHLLOKOSA-N 0 3 392.504 0.537 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000533319973 1197445555 /nfs/dbraw/zinc/44/55/55/1197445555.db2.gz GDHWPTZLNYCOFR-HZPDHXFCSA-N 0 3 393.488 0.427 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246122260 1197449242 /nfs/dbraw/zinc/44/92/42/1197449242.db2.gz AATNUYSRWREMRZ-DLBZAZTESA-N 0 3 380.514 0.683 20 0 GCADHN CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000533650371 1197464861 /nfs/dbraw/zinc/46/48/61/1197464861.db2.gz YSKJEWHWGKRIIV-KGLIPLIRSA-N 0 3 392.504 0.879 20 0 GCADHN CN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000533650371 1197464862 /nfs/dbraw/zinc/46/48/62/1197464862.db2.gz YSKJEWHWGKRIIV-KGLIPLIRSA-N 0 3 392.504 0.879 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cc(F)c(F)c(F)c2F)no1)C(N)=O ZINC001211998277 1197465471 /nfs/dbraw/zinc/46/54/71/1197465471.db2.gz LLZNRGQNKAFVMR-YLWLKBPMSA-N 0 3 389.309 0.543 20 0 GCADHN COc1cc(F)c(F)cc1-c1noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001211998128 1197465484 /nfs/dbraw/zinc/46/54/84/1197465484.db2.gz DIINJRGVBDDMQV-WRWORJQWSA-N 0 3 383.355 0.273 20 0 GCADHN COc1ccc(OC)c(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c1 ZINC001211998549 1197465865 /nfs/dbraw/zinc/46/58/65/1197465865.db2.gz USLCUSIECHWNNC-JOYOIKCWSA-N 0 3 377.401 0.004 20 0 GCADHN COc1ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)cc1Cl ZINC001211998516 1197465912 /nfs/dbraw/zinc/46/59/12/1197465912.db2.gz SMOFMIXAMKTQBG-GZMMTYOYSA-N 0 3 381.820 0.649 20 0 GCADHN Cc1c2cccc(-c3noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n3)c2nn1C ZINC001211998306 1197465976 /nfs/dbraw/zinc/46/59/76/1197465976.db2.gz NCOTYDPDWRBNDX-TVQRCGJNSA-N 0 3 385.428 0.182 20 0 GCADHN COc1ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)cc1OC ZINC001211998531 1197466011 /nfs/dbraw/zinc/46/60/11/1197466011.db2.gz TXOVPDIOXCTSCS-GXSJLCMTSA-N 0 3 377.401 0.004 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)Nc2ccc(=O)n(CCN(C)C)c2)cn1C ZINC000533690695 1197468035 /nfs/dbraw/zinc/46/80/35/1197468035.db2.gz MYPZNWZOFOWSMM-UHFFFAOYSA-N 0 3 382.442 0.336 20 0 GCADHN Cc1cccnc1-c1noc([C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)n1 ZINC001212000364 1197469918 /nfs/dbraw/zinc/46/99/18/1197469918.db2.gz GAVBTICUALOFEC-GJZGRUSLSA-N 0 3 383.408 0.865 20 0 GCADHN COc1cccc(-c2noc([C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)n2)n1 ZINC001212000603 1197469991 /nfs/dbraw/zinc/46/99/91/1197469991.db2.gz OTKRURLYUWMCTA-ZFWWWQNUSA-N 0 3 399.407 0.565 20 0 GCADHN 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1197487477 /nfs/dbraw/zinc/48/74/77/1197487477.db2.gz JSSOLGMGAJBFEW-UQZKUAJDSA-N 0 3 391.512 0.410 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CC[C@H](c2nccn2C)C1 ZINC000533718640 1197495068 /nfs/dbraw/zinc/49/50/68/1197495068.db2.gz KBEDNASUPARNEZ-HOTGVXAUSA-N 0 3 376.505 0.862 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000261670404 1197511037 /nfs/dbraw/zinc/51/10/37/1197511037.db2.gz BXPNJUFUXYWHLY-ZDUSSCGKSA-N 0 3 386.412 0.443 20 0 GCADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)C1 ZINC000367059270 1197511998 /nfs/dbraw/zinc/51/19/98/1197511998.db2.gz DCMOSFONTRYYCS-CEXWTWQISA-N 0 3 391.560 0.215 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000261758142 1197513702 /nfs/dbraw/zinc/51/37/02/1197513702.db2.gz KYCKGQRMTRDXHG-AWEZNQCLSA-N 0 3 380.470 0.864 20 0 GCADHN COc1cc2c(cc1OC)CN(C(=O)CN1CCNC[C@@H]1c1nccn1C)CC2 ZINC000261786716 1197514662 /nfs/dbraw/zinc/51/46/62/1197514662.db2.gz PXOSZISLINHPNR-QGZVFWFLSA-N 0 3 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384.480 0.897 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@@H](C)O1 ZINC000672308248 1199199611 /nfs/dbraw/zinc/19/96/11/1199199611.db2.gz GUEAROHMCOHYET-FPAYPSAMSA-N 0 3 392.544 0.687 20 0 GCADHN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672306374 1199200336 /nfs/dbraw/zinc/20/03/36/1199200336.db2.gz FBXGWFVZRJIAMW-INIZCTEOSA-N 0 3 393.509 0.649 20 0 GCADHN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cc1 ZINC000672306822 1199200527 /nfs/dbraw/zinc/20/05/27/1199200527.db2.gz AEEIWOBUCUUERQ-MOPGFXCFSA-N 0 3 398.507 0.813 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCCN(Cc2cscn2)CC1 ZINC000672310627 1199202679 /nfs/dbraw/zinc/20/26/79/1199202679.db2.gz BNDVVPSSJAZEGP-INIZCTEOSA-N 0 3 391.541 0.778 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672310820 1199203436 /nfs/dbraw/zinc/20/34/36/1199203436.db2.gz JDKUTVSAWAJWAK-IAGOWNOFSA-N 0 3 376.501 0.494 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672311373 1199204854 /nfs/dbraw/zinc/20/48/54/1199204854.db2.gz DZFZNVDTGQTMNB-OAHLLOKOSA-N 0 3 392.529 0.486 20 0 GCADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672311622 1199205152 /nfs/dbraw/zinc/20/51/52/1199205152.db2.gz MFCRYPYFMKKKKL-DLBZAZTESA-N 0 3 378.517 0.598 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000265792743 1199213744 /nfs/dbraw/zinc/21/37/44/1199213744.db2.gz OLXWIYFGGSYKMG-AWEZNQCLSA-N 0 3 397.545 0.908 20 0 GCADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000672358016 1199215225 /nfs/dbraw/zinc/21/52/25/1199215225.db2.gz NXFNFBGSGSEDGV-MOPGFXCFSA-N 0 3 388.512 0.556 20 0 GCADHN CCN1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000265794308 1199216630 /nfs/dbraw/zinc/21/66/30/1199216630.db2.gz JDHLPORUHXKXKI-CQSZACIVSA-N 0 3 394.497 0.241 20 0 GCADHN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)C(=O)NC2CCN(CCO)CC2)cc1 ZINC000672412308 1199229902 /nfs/dbraw/zinc/22/99/02/1199229902.db2.gz SUAFFLHNMHMINV-RTBURBONSA-N 0 3 389.496 0.904 20 0 GCADHN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCCN(C3CCCC3)CC1)CC2 ZINC000672417444 1199232095 /nfs/dbraw/zinc/23/20/95/1199232095.db2.gz KOHOYPLANCSRMQ-HNNXBMFYSA-N 0 3 388.516 0.748 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCC2(OC)CCOCC2)CC1 ZINC000672442406 1199234953 /nfs/dbraw/zinc/23/49/53/1199234953.db2.gz YNKVKMZYYCUOGU-UHFFFAOYSA-N 0 3 385.505 0.304 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C1=CCN(C)CC1 ZINC000672459803 1199237046 /nfs/dbraw/zinc/23/70/46/1199237046.db2.gz FDKJZDZDSFERAW-GOEBONIOSA-N 0 3 399.495 0.247 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459627 1199237908 /nfs/dbraw/zinc/23/79/08/1199237908.db2.gz PLEQTXAJSQPVAI-HNNXBMFYSA-N 0 3 387.484 0.035 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672457288 1199239348 /nfs/dbraw/zinc/23/93/48/1199239348.db2.gz ULEHFWRCSSAREN-CQSZACIVSA-N 0 3 387.484 0.033 20 0 GCADHN CC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)CC1 ZINC001002728415 1199245910 /nfs/dbraw/zinc/24/59/10/1199245910.db2.gz IUQIRHKBXJRDQD-ZACQAIPSSA-N 0 3 376.501 0.589 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)N1CCC(C)CC1)C2)N(C)C ZINC001002726864 1199246258 /nfs/dbraw/zinc/24/62/58/1199246258.db2.gz HIHWAUYNQNYCTK-NCOADZHNSA-N 0 3 378.517 0.833 20 0 GCADHN Cc1cc(CNC(=O)C(=O)N(C)C2CCN(CCc3ccccn3)CC2)[nH]n1 ZINC000672537701 1199265052 /nfs/dbraw/zinc/26/50/52/1199265052.db2.gz DOXQKVCVZUXNHY-UHFFFAOYSA-N 0 3 384.484 0.895 20 0 GCADHN C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)[C@H](C)C1 ZINC000672629804 1199285668 /nfs/dbraw/zinc/28/56/68/1199285668.db2.gz TYMABIXNGZTULY-ZACQAIPSSA-N 0 3 378.517 0.694 20 0 GCADHN CSCC(=O)N1CCn2c(nnc2C(=O)NC2CCN(C)CC2)C[C@@H]1C ZINC001272962201 1199309300 /nfs/dbraw/zinc/30/93/00/1199309300.db2.gz GTQWRAIFVFWBHY-LBPRGKRZSA-N 0 3 380.518 0.238 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC ZINC000672655041 1199309678 /nfs/dbraw/zinc/30/96/78/1199309678.db2.gz PTCJLYSOLIVGCV-ZACQAIPSSA-N 0 3 385.505 0.304 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN(c2nccnc2C)CC1 ZINC000672655151 1199310065 /nfs/dbraw/zinc/31/00/65/1199310065.db2.gz MUTZGTMGORGXMQ-QGZVFWFLSA-N 0 3 388.516 0.814 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000672694105 1199315152 /nfs/dbraw/zinc/31/51/52/1199315152.db2.gz LOBLOUBVFWRRMG-OAHLLOKOSA-N 0 3 381.521 0.629 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000672694787 1199315872 /nfs/dbraw/zinc/31/58/72/1199315872.db2.gz CRGQHPDMVUKYFG-HNNXBMFYSA-N 0 3 377.464 0.860 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000672696279 1199316087 /nfs/dbraw/zinc/31/60/87/1199316087.db2.gz BJIZBVLTMOKUQJ-OLZOCXBDSA-N 0 3 392.422 0.647 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672697583 1199316807 /nfs/dbraw/zinc/31/68/07/1199316807.db2.gz ZJUIELXATJTPCT-DLBZAZTESA-N 0 3 378.517 0.884 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000672698253 1199318454 /nfs/dbraw/zinc/31/84/54/1199318454.db2.gz NMGROTYNPMALTR-HUUCEWRRSA-N 0 3 390.488 0.022 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000672698134 1199318520 /nfs/dbraw/zinc/31/85/20/1199318520.db2.gz KTAIYPDUOMBGSO-INIZCTEOSA-N 0 3 387.484 0.357 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000672698602 1199318841 /nfs/dbraw/zinc/31/88/41/1199318841.db2.gz HDCMGJZEKWZCEX-QGZVFWFLSA-N 0 3 376.505 0.055 20 0 GCADHN COc1c(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)cccc1C(N)=O ZINC000542992996 1199320918 /nfs/dbraw/zinc/32/09/18/1199320918.db2.gz UWBAXJZYLXUKTM-CYBMUJFWSA-N 0 3 376.457 0.969 20 0 GCADHN Cc1noc(C)c1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000672714726 1199323128 /nfs/dbraw/zinc/32/31/28/1199323128.db2.gz MKWLRUKKDFVKPI-WFASDCNBSA-N 0 3 391.472 0.234 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000672731626 1199323814 /nfs/dbraw/zinc/32/38/14/1199323814.db2.gz UVNSLQUPQAWIDD-YTQUADARSA-N 0 3 388.512 0.603 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)c2)CC1 ZINC001128312699 1199334559 /nfs/dbraw/zinc/33/45/59/1199334559.db2.gz FQJWRWFMSJCRCZ-INIZCTEOSA-N 0 3 399.455 0.781 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)cc1C ZINC000077848426 1199335572 /nfs/dbraw/zinc/33/55/72/1199335572.db2.gz ANCHRJMYMBZEPC-UHFFFAOYSA-N 0 3 376.501 0.748 20 0 GCADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CC[C@H](N3CCCC3)C1)n2C ZINC000672809823 1199339775 /nfs/dbraw/zinc/33/97/75/1199339775.db2.gz QGOGJNXXDDFIHS-AWEZNQCLSA-N 0 3 385.468 0.895 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCNC1=O)N1CCCCC1 ZINC001002922776 1199342984 /nfs/dbraw/zinc/34/29/84/1199342984.db2.gz WWBSRMBKUXELDR-FPCVCCKLSA-N 0 3 376.501 0.635 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000672815282 1199343132 /nfs/dbraw/zinc/34/31/32/1199343132.db2.gz ZBCQWAJPDSSRJB-INIZCTEOSA-N 0 3 383.537 0.027 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccnn1C ZINC000672854617 1199352551 /nfs/dbraw/zinc/35/25/51/1199352551.db2.gz MKNWENZKRYTXNK-MRXNPFEDSA-N 0 3 392.548 0.418 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC1(C)C ZINC000672854115 1199353687 /nfs/dbraw/zinc/35/36/87/1199353687.db2.gz FSPZNYGQXOPLCB-HNNXBMFYSA-N 0 3 376.505 0.258 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000543009600 1199357723 /nfs/dbraw/zinc/35/77/23/1199357723.db2.gz CPTOJKAWYKSHBI-OAHLLOKOSA-N 0 3 392.500 0.576 20 0 GCADHN O=C(CNC(=O)c1cccc(F)c1)NCCCCN1CCN(CCO)CC1 ZINC000543016538 1199364842 /nfs/dbraw/zinc/36/48/42/1199364842.db2.gz IPUXILJCNKHVJB-UHFFFAOYSA-N 0 3 380.464 0.062 20 0 GCADHN C[C@H]1CC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H](C)C1 ZINC000672916704 1199366734 /nfs/dbraw/zinc/36/67/34/1199366734.db2.gz CDHVDZJJWWLHJW-HZPDHXFCSA-N 0 3 378.517 0.694 20 0 GCADHN COc1c(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cccc1C(N)=O ZINC000543034468 1199389894 /nfs/dbraw/zinc/38/98/94/1199389894.db2.gz PHMGZQPVGNTNPL-STQMWFEESA-N 0 3 376.457 0.969 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c2ccccc2O1 ZINC000066223168 1199391309 /nfs/dbraw/zinc/39/13/09/1199391309.db2.gz VNULXTGROXVYQF-YOEHRIQHSA-N 0 3 386.452 0.223 20 0 GCADHN CCCCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001272978540 1199416296 /nfs/dbraw/zinc/41/62/96/1199416296.db2.gz FCZYUTDZWLKRPJ-MJQMVNBJSA-N 0 3 381.517 0.925 20 0 GCADHN Cc1ccncc1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000673190314 1199474018 /nfs/dbraw/zinc/47/40/18/1199474018.db2.gz JIQKHMNXPRCXIL-INIZCTEOSA-N 0 3 387.484 0.334 20 0 GCADHN Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1=O ZINC000543108162 1199479425 /nfs/dbraw/zinc/47/94/25/1199479425.db2.gz RJSFKINGUGAOEZ-IRXDYDNUSA-N 0 3 389.500 0.671 20 0 GCADHN C[C@@H](CNC(=O)N1CCn2c(nnc2C(F)(F)F)C1)CN1CCN(C)CC1 ZINC000466136000 1199488094 /nfs/dbraw/zinc/48/80/94/1199488094.db2.gz CTNQRGIKLHWJBF-LBPRGKRZSA-N 0 3 389.426 0.706 20 0 GCADHN C[C@H](CNC(=O)N1CCC(c2ccnn2CCO)CC1)CN1CCN(C)CC1 ZINC000466136646 1199490065 /nfs/dbraw/zinc/49/00/65/1199490065.db2.gz JTYWEZOCNVJQPL-QGZVFWFLSA-N 0 3 392.548 0.648 20 0 GCADHN O=C(Cc1cn2c(n1)CCCC2)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1 ZINC001003306997 1199490185 /nfs/dbraw/zinc/49/01/85/1199490185.db2.gz VIBDCKMCRFMSNX-ZACQAIPSSA-N 0 3 382.468 0.976 20 0 GCADHN C[C@H]1[C@H](NC(=O)N(CCO)CCN2CCOCC2)CCN1Cc1ccccc1 ZINC000673236308 1199494796 /nfs/dbraw/zinc/49/47/96/1199494796.db2.gz UJQMOPWUYILMBG-AZUAARDMSA-N 0 3 390.528 0.986 20 0 GCADHN C[C@@H]1[C@H](NC(=O)N(CCO)CCN2CCOCC2)CCN1Cc1ccccc1 ZINC000673236311 1199494826 /nfs/dbraw/zinc/49/48/26/1199494826.db2.gz UJQMOPWUYILMBG-UYAOXDASSA-N 0 3 390.528 0.986 20 0 GCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCOCC1 ZINC001003355237 1199507016 /nfs/dbraw/zinc/50/70/16/1199507016.db2.gz MJMIRKXPDJEIKD-ZJPYXAASSA-N 0 3 378.517 0.441 20 0 GCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(=O)n1C ZINC001003354699 1199507109 /nfs/dbraw/zinc/50/71/09/1199507109.db2.gz JTSCCEDOXRKYNV-APIJFGDWSA-N 0 3 375.473 0.862 20 0 GCADHN CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2nnc[nH]2)c1 ZINC001003360553 1199510116 /nfs/dbraw/zinc/51/01/16/1199510116.db2.gz HGCRYQWVHNJSIZ-ZACQAIPSSA-N 0 3 382.468 0.971 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1)[C@H]1CN(C)CCO1 ZINC000673293078 1199523164 /nfs/dbraw/zinc/52/31/64/1199523164.db2.gz VJAKPVVHZQYEKA-QZTJIDSGSA-N 0 3 394.560 0.984 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)N1CCCC1 ZINC000067497002 1199527341 /nfs/dbraw/zinc/52/73/41/1199527341.db2.gz YFDQEIKOXUZZQN-JTQLQIEISA-N 0 3 389.424 0.907 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(C(=O)NCCCCN2CCN(C)CC2)c1C ZINC000157583428 1199528061 /nfs/dbraw/zinc/52/80/61/1199528061.db2.gz XJSJCQIVPXYKQT-UHFFFAOYSA-N 0 3 382.530 0.708 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCNC2=O)C3)C1 ZINC001003422039 1199532016 /nfs/dbraw/zinc/53/20/16/1199532016.db2.gz PIGPBDNVDDGUFM-QXSJWSMHSA-N 0 3 376.501 0.493 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000673326298 1199540823 /nfs/dbraw/zinc/54/08/23/1199540823.db2.gz VGNQEMUYZAHVHY-UKBAYJJMSA-N 0 3 388.512 0.601 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000673322218 1199542570 /nfs/dbraw/zinc/54/25/70/1199542570.db2.gz FLUBIEXNHFLHCK-ZYSHUDEJSA-N 0 3 386.496 0.893 20 0 GCADHN COC[C@@H]1CCCN1C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000673330224 1199547161 /nfs/dbraw/zinc/54/71/61/1199547161.db2.gz WZCQPWCIXSANPC-SFHVURJKSA-N 0 3 389.496 0.897 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@]2(C)CCCS2)CC1 ZINC000673335946 1199548260 /nfs/dbraw/zinc/54/82/60/1199548260.db2.gz GKALIRGAMMNVPH-KSSFIOAISA-N 0 3 382.530 0.153 20 0 GCADHN CCc1cnc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000673334690 1199552155 /nfs/dbraw/zinc/55/21/55/1199552155.db2.gz HBEYGJGOJDXSSU-UHFFFAOYSA-N 0 3 393.513 0.088 20 0 GCADHN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000673354579 1199572487 /nfs/dbraw/zinc/57/24/87/1199572487.db2.gz NQVMFKOOTWOSQS-IAGOWNOFSA-N 0 3 376.501 0.590 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3n(n1)CCO3)C2)N(C)C ZINC001003511235 1199573366 /nfs/dbraw/zinc/57/33/66/1199573366.db2.gz QDNFECFFNNJLRK-LGWLGOQQSA-N 0 3 375.473 0.723 20 0 GCADHN C[C@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001003540172 1199584899 /nfs/dbraw/zinc/58/48/99/1199584899.db2.gz OGDNOXVMUURQLI-YJNKXOJESA-N 0 3 375.473 0.070 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)nc1COC)C2)N(C)C ZINC001003649553 1199614526 /nfs/dbraw/zinc/61/45/26/1199614526.db2.gz AJBPBZVDGNLRLQ-WNOSKKOXSA-N 0 3 377.489 0.768 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C3)CC1 ZINC001003679889 1199623067 /nfs/dbraw/zinc/62/30/67/1199623067.db2.gz GUUFMGDSRYPETE-ATIFRJIPSA-N 0 3 379.501 0.770 20 0 GCADHN CN1CCC(n2ccc(=NC(=O)C(=O)N3CCC(c4cn[nH]c4)CC3)[nH]2)CC1 ZINC000427323572 1199631540 /nfs/dbraw/zinc/63/15/40/1199631540.db2.gz XFHFGXCFVNBTJP-UHFFFAOYSA-N 0 3 385.472 0.640 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H]1Cc2cccc(Cl)c2C1 ZINC001168715913 1199633264 /nfs/dbraw/zinc/63/32/64/1199633264.db2.gz QHGZEYWJXCEPPO-MNXVOIDGSA-N 0 3 395.887 0.968 20 0 GCADHN CC(C)N(C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000116817678 1199638440 /nfs/dbraw/zinc/63/84/40/1199638440.db2.gz BWKUKOKDYRDNGH-UHFFFAOYSA-N 0 3 382.530 0.579 20 0 GCADHN CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN(C)C1CCC1 ZINC001003798048 1199672970 /nfs/dbraw/zinc/67/29/70/1199672970.db2.gz BZZICLMEDINYIE-ZJPYXAASSA-N 0 3 378.517 0.440 20 0 GCADHN CN(C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)no1 ZINC001003807406 1199675541 /nfs/dbraw/zinc/67/55/41/1199675541.db2.gz DDJOWPVVYMSZBX-UNEWFSDZSA-N 0 3 375.473 0.694 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CN(C)C)on1)C2)N(C)C ZINC001003808265 1199675629 /nfs/dbraw/zinc/67/56/29/1199675629.db2.gz KVBLAMNEJVCSKG-IRWJRLHMSA-N 0 3 377.489 0.938 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1=O ZINC000499748894 1199694654 /nfs/dbraw/zinc/69/46/54/1199694654.db2.gz FNSIWJUXJAGKCN-WBVHZDCISA-N 0 3 390.484 0.970 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1=O ZINC000499748892 1199694924 /nfs/dbraw/zinc/69/49/24/1199694924.db2.gz FNSIWJUXJAGKCN-NVXWUHKLSA-N 0 3 390.484 0.970 20 0 GCADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000673485104 1199701671 /nfs/dbraw/zinc/70/16/71/1199701671.db2.gz WWTNPUDPVCOSDK-MGPUTAFESA-N 0 3 378.517 0.924 20 0 GCADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000673484585 1199703943 /nfs/dbraw/zinc/70/39/43/1199703943.db2.gz BEVXQKBPZGOPSZ-MJGOQNOKSA-N 0 3 388.447 0.477 20 0 GCADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000673484584 1199704112 /nfs/dbraw/zinc/70/41/12/1199704112.db2.gz BEVXQKBPZGOPSZ-IEBWSBKVSA-N 0 3 388.447 0.477 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC(=O)NC2)C3)CC1 ZINC001003907857 1199706532 /nfs/dbraw/zinc/70/65/32/1199706532.db2.gz SVMXWBSZTQZJLC-HZMVEIRTSA-N 0 3 376.501 0.493 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)NCCN(C)Cc2ccccc2)C1=O ZINC000499765250 1199716116 /nfs/dbraw/zinc/71/61/16/1199716116.db2.gz CUVHXWFNLVRWLT-MRXNPFEDSA-N 0 3 376.457 0.582 20 0 GCADHN COc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc(Cl)c1OCC(N)=O ZINC000673510874 1199723886 /nfs/dbraw/zinc/72/38/86/1199723886.db2.gz FQWZHHDUTMYZJN-CHWSQXEVSA-N 0 3 397.859 0.494 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673512579 1199725047 /nfs/dbraw/zinc/72/50/47/1199725047.db2.gz DXOYGXCCKKKUNP-DLBZAZTESA-N 0 3 395.525 0.998 20 0 GCADHN CS(=O)(=O)N1CCCc2cc(C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)ccc21 ZINC000673514422 1199725152 /nfs/dbraw/zinc/72/51/52/1199725152.db2.gz NAXVUHMNSGMGOY-SJORKVTESA-N 0 3 393.509 0.680 20 0 GCADHN CS(=O)(=O)N1CCCc2cc(C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)ccc21 ZINC000673514409 1199725163 /nfs/dbraw/zinc/72/51/63/1199725163.db2.gz NAXVUHMNSGMGOY-DLBZAZTESA-N 0 3 393.509 0.680 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673516902 1199726367 /nfs/dbraw/zinc/72/63/67/1199726367.db2.gz YTGCLBLSOOCRIU-DLBZAZTESA-N 0 3 395.525 0.998 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 ZINC000673516908 1199726395 /nfs/dbraw/zinc/72/63/95/1199726395.db2.gz YTGCLBLSOOCRIU-IRXDYDNUSA-N 0 3 395.525 0.998 20 0 GCADHN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673519064 1199727201 /nfs/dbraw/zinc/72/72/01/1199727201.db2.gz WDNIUMJHVSVXGS-KBPBESRZSA-N 0 3 382.420 0.810 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000673521060 1199727769 /nfs/dbraw/zinc/72/77/69/1199727769.db2.gz JSZQIBSWXNQVBL-LBPRGKRZSA-N 0 3 378.498 0.766 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000673519671 1199728149 /nfs/dbraw/zinc/72/81/49/1199728149.db2.gz AAFGVXWWDNOMIP-DLBZAZTESA-N 0 3 377.485 0.733 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)N1CCOCC1)C2)N(C)C ZINC001003968423 1199728780 /nfs/dbraw/zinc/72/87/80/1199728780.db2.gz JEDOACODJJLFSO-PNKHAZJDSA-N 0 3 380.533 0.541 20 0 GCADHN COc1ccc(CN2C[C@H](C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)CC2=O)cc1 ZINC000673516087 1199729349 /nfs/dbraw/zinc/72/93/49/1199729349.db2.gz USMZTNCHGIDTOX-KZNAEPCWSA-N 0 3 387.480 0.711 20 0 GCADHN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673514633 1199729451 /nfs/dbraw/zinc/72/94/51/1199729451.db2.gz ZOXCGNRTVAITPN-CABCVRRESA-N 0 3 376.848 0.661 20 0 GCADHN CC(C)C[C@H](C(=O)N[C@H](CO)CN1CCCC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000673531468 1199733493 /nfs/dbraw/zinc/73/34/93/1199733493.db2.gz PFPFRMPQWWMAAX-XLAORIBOSA-N 0 3 391.512 0.925 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](CO)CN(C)C)cc1 ZINC000673522144 1199733819 /nfs/dbraw/zinc/73/38/19/1199733819.db2.gz DFZHKYGOGUIDBB-INIZCTEOSA-N 0 3 385.530 0.688 20 0 GCADHN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1 ZINC000673529676 1199735707 /nfs/dbraw/zinc/73/57/07/1199735707.db2.gz AYQOHSFCEBLDID-GOEBONIOSA-N 0 3 383.514 0.950 20 0 GCADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](CO)CN2CCCC2)c1 ZINC000673533118 1199741748 /nfs/dbraw/zinc/74/17/48/1199741748.db2.gz IJXPGFDRINNNLL-INIZCTEOSA-N 0 3 383.514 0.904 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](Cc2ccccc2)n2nnnc2C)CC1 ZINC000118341783 1199760405 /nfs/dbraw/zinc/76/04/05/1199760405.db2.gz JRUSLNPPTOGKFA-LPHOPBHVSA-N 0 3 385.516 0.908 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1=O ZINC000499819387 1199781180 /nfs/dbraw/zinc/78/11/80/1199781180.db2.gz JWVQZPAWWXSQRR-CVEARBPZSA-N 0 3 376.457 0.753 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)CC1=O ZINC000673550381 1199781374 /nfs/dbraw/zinc/78/13/74/1199781374.db2.gz SVFKJLICARJQCD-OAHLLOKOSA-N 0 3 386.452 0.849 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)CC1=O ZINC000673550380 1199781630 /nfs/dbraw/zinc/78/16/30/1199781630.db2.gz SVFKJLICARJQCD-HNNXBMFYSA-N 0 3 386.452 0.849 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(NC(N)=O)c2)CC1=O ZINC000673550363 1199781781 /nfs/dbraw/zinc/78/17/81/1199781781.db2.gz RSVSEFFMGLTJPH-HNNXBMFYSA-N 0 3 377.445 0.086 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)C(=O)Nc2ccc(C)cc2)CC1=O ZINC000673549937 1199784816 /nfs/dbraw/zinc/78/48/16/1199784816.db2.gz YJDHPUXZOYRYIA-MRXNPFEDSA-N 0 3 376.457 0.229 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000272583980 1199801680 /nfs/dbraw/zinc/80/16/80/1199801680.db2.gz GYOLOAARNCNFJZ-QAPCUYQASA-N 0 3 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20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000675541514 1200428839 /nfs/dbraw/zinc/42/88/39/1200428839.db2.gz UYGNGZKDTGSDLZ-FUHWJXTLSA-N 0 3 385.464 0.875 20 0 GCADHN C[C@H]1C[C@@H](NCc2cnc(N3CCN(C)CC3)nc2)C(=O)N1c1cnn(C)c1 ZINC000675553358 1200432638 /nfs/dbraw/zinc/43/26/38/1200432638.db2.gz VUPFFCGAWGSBDI-WMLDXEAASA-N 0 3 384.488 0.246 20 0 GCADHN Cc1nonc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(C)(C)C1 ZINC001005748115 1200450215 /nfs/dbraw/zinc/45/02/15/1200450215.db2.gz WPVUXQPMOYWKPW-BMFZPTHFSA-N 0 3 375.473 0.901 20 0 GCADHN COc1ccc(OC)c(NC(=O)C[C@@H](C)NCC(=O)N2CCN(C)CC2)c1 ZINC000675781835 1200458633 /nfs/dbraw/zinc/45/86/33/1200458633.db2.gz DAUYZLYCOQXYOJ-CQSZACIVSA-N 0 3 378.473 0.785 20 0 GCADHN COc1ccc(NC(=O)C[C@H](C)NCC(=O)N2CCN(C)CC2)c(OC)c1 ZINC000675781825 1200458914 /nfs/dbraw/zinc/45/89/14/1200458914.db2.gz CNAKEDTVXWGJKJ-AWEZNQCLSA-N 0 3 378.473 0.785 20 0 GCADHN CNC(=O)Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000675836628 1200462694 /nfs/dbraw/zinc/46/26/94/1200462694.db2.gz CMBNPIDBLWAZQB-QGZVFWFLSA-N 0 3 387.484 0.745 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)CC1 ZINC000675916780 1200467415 /nfs/dbraw/zinc/46/74/15/1200467415.db2.gz NPROUPAKSOKQSR-CVEARBPZSA-N 0 3 378.517 0.789 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1S(N)(=O)=O ZINC000675918588 1200467596 /nfs/dbraw/zinc/46/75/96/1200467596.db2.gz OYNKWPHBFWRLAH-OAHLLOKOSA-N 0 3 394.497 0.021 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000675917059 1200468022 /nfs/dbraw/zinc/46/80/22/1200468022.db2.gz SOTLBGYMSHSHBJ-MRXNPFEDSA-N 0 3 399.451 0.268 20 0 GCADHN COc1ccc(COCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000675919053 1200468488 /nfs/dbraw/zinc/46/84/88/1200468488.db2.gz JPSNUYYMNRCCTI-SFHVURJKSA-N 0 3 375.469 0.977 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 ZINC000675917207 1200468603 /nfs/dbraw/zinc/46/86/03/1200468603.db2.gz YUCFJGHDXHEFPU-QGZVFWFLSA-N 0 3 398.463 0.719 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000676279934 1200530740 /nfs/dbraw/zinc/53/07/40/1200530740.db2.gz RAJXBJOXSIUERC-GUYCJALGSA-N 0 3 378.473 0.531 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCCNC(=O)c2cccnc2)CC1 ZINC000676445687 1200558878 /nfs/dbraw/zinc/55/88/78/1200558878.db2.gz BGIZRSWFPFXXCP-QGZVFWFLSA-N 0 3 387.484 0.532 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC001118061336 1200576481 /nfs/dbraw/zinc/57/64/81/1200576481.db2.gz DQIYKPDTQNSPKO-BRWVUGGUSA-N 0 3 380.533 0.450 20 0 GCADHN CC(C)(C)CCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001129262414 1200594086 /nfs/dbraw/zinc/59/40/86/1200594086.db2.gz PDSIVJYRRLKHMY-FXUDXRNXSA-N 0 3 392.504 0.479 20 0 GCADHN CC[C@@H](C(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)C ZINC001062300375 1200595923 /nfs/dbraw/zinc/59/59/23/1200595923.db2.gz FWQPGCDOSGKDSJ-FLXSYLCISA-N 0 3 381.517 0.875 20 0 GCADHN CCCN(C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001062300643 1200596272 /nfs/dbraw/zinc/59/62/72/1200596272.db2.gz QFLBFGOZWZYEEW-MJQMVNBJSA-N 0 3 381.517 0.877 20 0 GCADHN COC(=O)N(C)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000141779758 1200597710 /nfs/dbraw/zinc/59/77/10/1200597710.db2.gz HSYJFEYPPRVTBV-UHFFFAOYSA-N 0 3 391.472 0.581 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC(C)(C)C[NH+](C)C ZINC000073418009 1200598429 /nfs/dbraw/zinc/59/84/29/1200598429.db2.gz VQQWUGRGMHKUDO-UHFFFAOYSA-N 0 3 379.505 0.552 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N1CCO[C@@H](CNc2nccn(C)c2=O)C1 ZINC000566622504 1200645263 /nfs/dbraw/zinc/64/52/63/1200645263.db2.gz VRHLWBITYYSPDM-INIZCTEOSA-N 0 3 385.468 0.795 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CCSC1 ZINC000531139418 1200649198 /nfs/dbraw/zinc/64/91/98/1200649198.db2.gz ASCOHNMVEPZOPW-GOSISDBHSA-N 0 3 388.497 0.818 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccn(CCC(F)(F)F)n2)CCSC1 ZINC000425749224 1200650667 /nfs/dbraw/zinc/65/06/67/1200650667.db2.gz XKEWKOKPGODSGB-AWEZNQCLSA-N 0 3 393.435 1.328 20 0 GCADHN CN(CCN1CCCCC1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000650045501 1200659095 /nfs/dbraw/zinc/65/90/95/1200659095.db2.gz BVOUVHZMMHCAHD-UHFFFAOYSA-N 0 3 378.477 0.692 20 0 GCADHN C[C@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C[C@@H](C)C1 ZINC000556489205 1200702920 /nfs/dbraw/zinc/70/29/20/1200702920.db2.gz NHKBEPGTKXOTHE-XYJFISCASA-N 0 3 396.495 1.454 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000509277341 1200705198 /nfs/dbraw/zinc/70/51/98/1200705198.db2.gz ASRNMIRIZAONTF-ROUUACIJSA-N 0 3 397.564 0.681 20 0 GCADHN Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)[nH]c1=O ZINC001005862747 1200715823 /nfs/dbraw/zinc/71/58/23/1200715823.db2.gz PFSYYSRYOARXAA-NFAWXSAZSA-N 0 3 375.473 0.719 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)CN3CCc4n[nH]nc4C3)CC2)cc1 ZINC000429300163 1200744389 /nfs/dbraw/zinc/74/43/89/1200744389.db2.gz ZQARBCDCGZQGCT-UHFFFAOYSA-N 0 3 384.484 0.906 20 0 GCADHN COC(=O)CCc1nnc(NC(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)s1 ZINC000565246061 1200784479 /nfs/dbraw/zinc/78/44/79/1200784479.db2.gz LWUNDEYHHKXZED-GFCCVEGCSA-N 0 3 397.501 0.819 20 0 GCADHN Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)nn1C ZINC000439454212 1200809618 /nfs/dbraw/zinc/80/96/18/1200809618.db2.gz QXBZSTONRZPGCV-IAGOWNOFSA-N 0 3 385.468 0.666 20 0 GCADHN CC(C)(C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)N1CCCC1 ZINC001487042966 1200814282 /nfs/dbraw/zinc/81/42/82/1200814282.db2.gz FEISTVBKRZRQSK-ALYAQQCSSA-N 0 3 391.512 0.364 20 0 GCADHN CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429340284 1200843268 /nfs/dbraw/zinc/84/32/68/1200843268.db2.gz HQHFVOCDSPVMLD-MSOLQXFVSA-N 0 3 397.541 0.968 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1nn(-c2ncccc2F)cc1C ZINC000370847164 1200865087 /nfs/dbraw/zinc/86/50/87/1200865087.db2.gz QKOAZBFCALBDEL-UHFFFAOYSA-N 0 3 392.435 0.690 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCCNc2ccc(-c3ccccc3)nn2)C1 ZINC000443501468 1200867473 /nfs/dbraw/zinc/86/74/73/1200867473.db2.gz MWZOTTUOMMECBD-KRWDZBQOSA-N 0 3 384.484 1.575 20 0 GCADHN O=C(Nc1ccn(CCN2CCOCC2)n1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530815967 1200879320 /nfs/dbraw/zinc/87/93/20/1200879320.db2.gz JYFXEPBIJONARX-OAQYLSRUSA-N 0 3 399.495 0.791 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2nc3nc(C)cc(C)n3n2)CC1 ZINC000519057507 1200883260 /nfs/dbraw/zinc/88/32/60/1200883260.db2.gz AAKKZWSXKWGLPD-UHFFFAOYSA-N 0 3 388.476 0.759 20 0 GCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000437223215 1200898341 /nfs/dbraw/zinc/89/83/41/1200898341.db2.gz SDWMSGWKQSFVOV-QGZVFWFLSA-N 0 3 384.484 1.575 20 0 GCADHN CCN1CCN(C[C@@H](C)CNc2noc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000647857940 1200901288 /nfs/dbraw/zinc/90/12/88/1200901288.db2.gz UQBVVLPYUXEXNJ-ZDUSSCGKSA-N 0 3 381.502 1.161 20 0 GCADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Nc3ccc4c(c3)OCCNC4)C[C@H]21 ZINC000625939043 1200929047 /nfs/dbraw/zinc/92/90/47/1200929047.db2.gz JHQPEPUPJSPCMQ-IMJJTQAJSA-N 0 3 381.454 0.444 20 0 GCADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000923293093 1200931206 /nfs/dbraw/zinc/93/12/06/1200931206.db2.gz NASKOUVUWXIBER-JKSUJKDBSA-N 0 3 379.482 0.690 20 0 GCADHN Cc1ccc(NCCCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)nc1 ZINC000578652005 1200938390 /nfs/dbraw/zinc/93/83/90/1200938390.db2.gz ULBVHLVKQLBFHI-SFHVURJKSA-N 0 3 381.480 1.393 20 0 GCADHN COc1ccc(Cn2ccc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)n2)cc1 ZINC000573387390 1200976859 /nfs/dbraw/zinc/97/68/59/1200976859.db2.gz KEQFKEGUOBVIDP-HOCLYGCPSA-N 0 3 384.440 0.716 20 0 GCADHN CC[C@@H](C)N[C@H](CNC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccco1 ZINC000554245163 1200984904 /nfs/dbraw/zinc/98/49/04/1200984904.db2.gz NSGLMBYAHHFJPM-CHWSQXEVSA-N 0 3 377.449 1.210 20 0 GCADHN COc1cccc(Cc2nnc(NC(=O)NC[C@]3(O)CCN(C)C3)s2)c1 ZINC000547282579 1201006398 /nfs/dbraw/zinc/00/63/98/1201006398.db2.gz USIVSANNFLKVKI-QGZVFWFLSA-N 0 3 377.470 1.326 20 0 GCADHN COc1cncc(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000583268874 1201026905 /nfs/dbraw/zinc/02/69/05/1201026905.db2.gz OIYKBKAREZFJEQ-JKSUJKDBSA-N 0 3 381.436 1.157 20 0 GCADHN COc1cncc(NC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)n1 ZINC000568029432 1201028621 /nfs/dbraw/zinc/02/86/21/1201028621.db2.gz HBNHTRDZHFDAKN-UHFFFAOYSA-N 0 3 393.513 1.292 20 0 GCADHN Cc1nc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)nn1C ZINC000550635540 1201029673 /nfs/dbraw/zinc/02/96/73/1201029673.db2.gz HDRYTKHFFCBQFP-KRWDZBQOSA-N 0 3 384.484 1.261 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)C[C@@H](C)O1 ZINC000626023577 1201045467 /nfs/dbraw/zinc/04/54/67/1201045467.db2.gz LMXDACLZAYHOHE-OAGGEKHMSA-N 0 3 377.489 0.779 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)C[C@@H](C)O1 ZINC000626023576 1201046061 /nfs/dbraw/zinc/04/60/61/1201046061.db2.gz LMXDACLZAYHOHE-BZUAXINKSA-N 0 3 377.489 0.779 20 0 GCADHN CCn1nc(NC(=O)C(=O)NC[C@H](C)N2CCN(CC)CC2)cc1C1CC1 ZINC000468430374 1201052839 /nfs/dbraw/zinc/05/28/39/1201052839.db2.gz QSCFZFYZGPMIGV-AWEZNQCLSA-N 0 3 376.505 0.861 20 0 GCADHN CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000946912592 1201070288 /nfs/dbraw/zinc/07/02/88/1201070288.db2.gz ULSYCPYGKKULKZ-YLFCFFPRSA-N 0 3 389.500 0.350 20 0 GCADHN CN(C)Cc1ccc(NC(=O)c2nc(N)nc(N3CCOCC3)n2)c(F)c1 ZINC000568756957 1201078923 /nfs/dbraw/zinc/07/89/23/1201078923.db2.gz ACZAOLXXWNMMFS-UHFFFAOYSA-N 0 3 375.408 0.743 20 0 GCADHN CN(C)[C@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)Cc1ccccc1 ZINC000565064689 1201080122 /nfs/dbraw/zinc/08/01/22/1201080122.db2.gz MRKSCJFUBYDIQM-HNNXBMFYSA-N 0 3 385.472 0.193 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000583384687 1201081965 /nfs/dbraw/zinc/08/19/65/1201081965.db2.gz CZMZJFQECCFQSD-UHFFFAOYSA-N 0 3 387.444 0.613 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)n1 ZINC000566404234 1201082751 /nfs/dbraw/zinc/08/27/51/1201082751.db2.gz QCRIYIYEPIEPFY-UHFFFAOYSA-N 0 3 398.515 0.410 20 0 GCADHN COCCN1CCC(NC(=O)CCc2c(C)nc3nc(N)nn3c2C)CC1 ZINC000620313678 1201093510 /nfs/dbraw/zinc/09/35/10/1201093510.db2.gz RDTIITZMVXUFDJ-UHFFFAOYSA-N 0 3 375.477 0.483 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CCc2c(C)nc3nc(N)nn3c2C)C1 ZINC000592095809 1201093769 /nfs/dbraw/zinc/09/37/69/1201093769.db2.gz LCOJCVMJEVNERN-AWEZNQCLSA-N 0 3 375.477 0.483 20 0 GCADHN CC[C@@H](C)N[C@@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccco1 ZINC000622047444 1201111495 /nfs/dbraw/zinc/11/14/95/1201111495.db2.gz TTZCXAMWGKNEEU-OLZOCXBDSA-N 0 3 389.460 0.743 20 0 GCADHN CCc1ccc([C@@H](CNC(=O)c2nc(N)nc(N3CCOCC3)n2)N(C)C)cc1 ZINC000574814609 1201120852 /nfs/dbraw/zinc/12/08/52/1201120852.db2.gz GSBOUYLVZWKOQU-MRXNPFEDSA-N 0 3 399.499 0.886 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000573710690 1201132538 /nfs/dbraw/zinc/13/25/38/1201132538.db2.gz SXCNOYIIUOXRCH-GDBMZVCRSA-N 0 3 397.483 0.541 20 0 GCADHN COc1ccc([C@@H](CNS(=O)(=O)N2CCNCC2)N2CCCCC2)cc1 ZINC000923577897 1201151283 /nfs/dbraw/zinc/15/12/83/1201151283.db2.gz AIVJOMCYICXWKM-GOSISDBHSA-N 0 3 382.530 0.962 20 0 GCADHN C[C@@H](NS(=O)(=O)N1CCNCC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000923591072 1201171998 /nfs/dbraw/zinc/17/19/98/1201171998.db2.gz MPFXELGCYRLSPE-CYBMUJFWSA-N 0 3 382.486 0.145 20 0 GCADHN CNC(=O)c1ccn([C@@H]2CCCN(C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)C2)n1 ZINC000486564345 1201193288 /nfs/dbraw/zinc/19/32/88/1201193288.db2.gz UBUSDHLMPMGLPM-NXOAAHMSSA-N 0 3 379.505 0.350 20 0 GCADHN CCC1(N2CCOCC2)CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000626088651 1201194181 /nfs/dbraw/zinc/19/41/81/1201194181.db2.gz IFGOQVUOVBNCAN-UHFFFAOYSA-N 0 3 390.488 0.037 20 0 GCADHN CC(C)[C@H](C(=O)NCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1)N(C)C ZINC001063848863 1201204305 /nfs/dbraw/zinc/20/43/05/1201204305.db2.gz BRWBOJGSESAXLB-MWDXBVQZSA-N 0 3 381.517 0.779 20 0 GCADHN COC(=O)c1nc2nc(C)cc(N3CCC(N4CCC[C@H]4C(N)=O)CC3)n2n1 ZINC000611242210 1201225178 /nfs/dbraw/zinc/22/51/78/1201225178.db2.gz DSROZZHFCXBKMA-ZDUSSCGKSA-N 0 3 387.444 0.138 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3cnc(C4CC4)nc3)C2)CC1 ZINC000611367680 1201232825 /nfs/dbraw/zinc/23/28/25/1201232825.db2.gz ODTUDERFFJOMFX-KRWDZBQOSA-N 0 3 386.500 0.919 20 0 GCADHN CCCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001079143680 1201247477 /nfs/dbraw/zinc/24/74/77/1201247477.db2.gz HZMWJDVJBZEGCU-AKHDSKFASA-N 0 3 389.496 0.893 20 0 GCADHN Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2cccc(F)c2)n[nH]1 ZINC001079198851 1201250074 /nfs/dbraw/zinc/25/00/74/1201250074.db2.gz VNANJNQJTJVSEK-FXUDXRNXSA-N 0 3 386.431 0.458 20 0 GCADHN C[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001079889877 1201260101 /nfs/dbraw/zinc/26/01/01/1201260101.db2.gz WKUQCOGAIGWMHH-XKVFNRALSA-N 0 3 381.440 0.486 20 0 GCADHN C[C@H](NCCNS(=O)(=O)Cc1ccon1)c1cccc(-n2cnnn2)c1 ZINC000162328797 1201262499 /nfs/dbraw/zinc/26/24/99/1201262499.db2.gz JJURSRQMJKZZRS-LBPRGKRZSA-N 0 3 377.430 0.421 20 0 GCADHN C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC001487442250 1201263758 /nfs/dbraw/zinc/26/37/58/1201263758.db2.gz HJJJEEMVCATREB-FJANGAQTSA-N 0 3 379.501 0.391 20 0 GCADHN Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001487442335 1201265860 /nfs/dbraw/zinc/26/58/60/1201265860.db2.gz HZOBPIRSAQXWRZ-QHLBIMPKSA-N 0 3 376.457 0.323 20 0 GCADHN CCn1cc(CCN2C[C@@H](C)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)cn1 ZINC001080180328 1201266763 /nfs/dbraw/zinc/26/67/63/1201266763.db2.gz DSCVUROSBIOHKE-QFACEVIFSA-N 0 3 376.501 0.934 20 0 GCADHN CCN(CC)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001080868384 1201282877 /nfs/dbraw/zinc/28/28/77/1201282877.db2.gz AANAOWNVJJXWEE-OCABDXPQSA-N 0 3 379.501 0.221 20 0 GCADHN CC(C)N(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001080890107 1201284201 /nfs/dbraw/zinc/28/42/01/1201284201.db2.gz RVFXMKXJWXAHTP-XYJFISCASA-N 0 3 381.517 0.611 20 0 GCADHN CC[C@@H](C(=O)NC1(CO)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1)N(C)C ZINC001080919918 1201284826 /nfs/dbraw/zinc/28/48/26/1201284826.db2.gz WOMWDWQJFUAJFA-LUKYLMHMSA-N 0 3 381.517 0.611 20 0 GCADHN CC[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1)N(C)C ZINC001080925185 1201285692 /nfs/dbraw/zinc/28/56/92/1201285692.db2.gz IYWFVNWASVIWAC-LUKYLMHMSA-N 0 3 381.517 0.611 20 0 GCADHN CC[C@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)N(C)C ZINC001080926239 1201287466 /nfs/dbraw/zinc/28/74/66/1201287466.db2.gz HAXXMOYNIGCKJR-NEMWNAMBSA-N 0 3 379.501 0.220 20 0 GCADHN O=C(CN1CCCC1)N1CCC(CO)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001080926143 1201287496 /nfs/dbraw/zinc/28/74/96/1201287496.db2.gz CQITUSJAKWEAIP-XYJFISCASA-N 0 3 379.501 0.367 20 0 GCADHN Cc1[nH]cnc1CC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001080930324 1201288836 /nfs/dbraw/zinc/28/88/36/1201288836.db2.gz SBHHZMLDLMMOOO-DBMJBKLQSA-N 0 3 388.468 0.154 20 0 GCADHN CCCN(C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001080930184 1201289363 /nfs/dbraw/zinc/28/93/63/1201289363.db2.gz NQOCUVJNZOLWAX-OCABDXPQSA-N 0 3 379.501 0.221 20 0 GCADHN O=C(NCCCN1CCc2ccccc2C1)N(CCO)CCN1CCOCC1 ZINC000163535049 1201319608 /nfs/dbraw/zinc/31/96/08/1201319608.db2.gz RXGMZEZWEKLAPT-UHFFFAOYSA-N 0 3 390.528 0.771 20 0 GCADHN CCCN(C)CC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001082196909 1201325733 /nfs/dbraw/zinc/32/57/33/1201325733.db2.gz KCNXPDYMFLFHQW-LSTDLKDCSA-N 0 3 381.517 0.877 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C[C@H]1NCc1cnnn1C ZINC001082517595 1201336188 /nfs/dbraw/zinc/33/61/88/1201336188.db2.gz VBJJHXFAMBPVAL-JOCBIADPSA-N 0 3 383.500 0.919 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C[C@H]1NCC(=O)N1CCC1 ZINC001082569357 1201338608 /nfs/dbraw/zinc/33/86/08/1201338608.db2.gz DNCPGWJXDHSTRM-YFHUEUNASA-N 0 3 389.500 0.557 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1NCc1ccccn1 ZINC001082657280 1201342672 /nfs/dbraw/zinc/34/26/72/1201342672.db2.gz QUWGNNBXKUQRFO-AFYVEPGGSA-N 0 3 388.512 0.898 20 0 GCADHN C[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1NCC(=O)N1CCC(C(N)=O)CC1 ZINC001082651830 1201343200 /nfs/dbraw/zinc/34/32/00/1201343200.db2.gz SBFYNSKHXVVUSQ-XFKAJCMBSA-N 0 3 390.528 0.583 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCc1cnn(C(C)(C)C)c1 ZINC001082739116 1201345748 /nfs/dbraw/zinc/34/57/48/1201345748.db2.gz YQMQDHLKTJRRJM-DMRZNYOFSA-N 0 3 377.489 0.608 20 0 GCADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1NCc1cncc(F)c1 ZINC001082739331 1201346044 /nfs/dbraw/zinc/34/60/44/1201346044.db2.gz NSJHNHHHCAZDTA-VDNDLQMASA-N 0 3 378.448 0.793 20 0 GCADHN Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C[C@H]2C)n[nH]1 ZINC001082739319 1201346233 /nfs/dbraw/zinc/34/62/33/1201346233.db2.gz MOZBGKMLVLBMFT-MIGQKNRLSA-N 0 3 390.488 0.220 20 0 GCADHN Cc1csc2nc(CN[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C)cc(=O)n12 ZINC001082744269 1201346888 /nfs/dbraw/zinc/34/68/88/1201346888.db2.gz BAGWOQIIYJZWAA-WBMYTEFPSA-N 0 3 389.481 0.122 20 0 GCADHN CC(=O)N1CCN(C(=O)CN[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]2C)CC1 ZINC001082797687 1201349228 /nfs/dbraw/zinc/34/92/28/1201349228.db2.gz JZWCTVOHDIYZOG-BVPBIZIASA-N 0 3 376.501 0.160 20 0 GCADHN O=C(NCc1ccc(N2CCOCC2)nc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000727471844 1201356922 /nfs/dbraw/zinc/35/69/22/1201356922.db2.gz OMBRJJIILSLKRD-SJORKVTESA-N 0 3 375.473 0.581 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)C2=NN(C)C(=O)CC2)c1 ZINC000727744815 1201364535 /nfs/dbraw/zinc/36/45/35/1201364535.db2.gz LLSMZFWQFHHZNR-UHFFFAOYSA-N 0 3 376.457 0.868 20 0 GCADHN CC(C)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)[C@H]2C1 ZINC001083151299 1201393259 /nfs/dbraw/zinc/39/32/59/1201393259.db2.gz SGBCNJSGIONZLK-YDZRNGNQSA-N 0 3 381.517 0.434 20 0 GCADHN O=C(CN1CCC[C@@H](C2OCCO2)C1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000728053549 1201394041 /nfs/dbraw/zinc/39/40/41/1201394041.db2.gz ORSGBTLNKPAAJN-QGZVFWFLSA-N 0 3 379.501 0.932 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN(C)CCS(C)(=O)=O)cc2)CC1 ZINC000728054442 1201395442 /nfs/dbraw/zinc/39/54/42/1201395442.db2.gz KOXKLHOPVVDSAI-UHFFFAOYSA-N 0 3 382.530 0.743 20 0 GCADHN Cc1cc(-n2cncn2)ccc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000173517930 1201406577 /nfs/dbraw/zinc/40/65/77/1201406577.db2.gz KRWBJWGACYVLPB-UHFFFAOYSA-N 0 3 382.468 0.956 20 0 GCADHN CC(C)c1nc(CN2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n[nH]1 ZINC001084446633 1201414162 /nfs/dbraw/zinc/41/41/62/1201414162.db2.gz GZKTWBRFKRERTK-KLHDSHLOSA-N 0 3 376.505 0.680 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN(CCOC)[C@@H](C)C(N)=O)cc2)CC1 ZINC000730064748 1201432332 /nfs/dbraw/zinc/43/23/32/1201432332.db2.gz VELROGSQFGXXBJ-INIZCTEOSA-N 0 3 391.516 0.589 20 0 GCADHN COCCCN(Cc1ccncc1)CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000730255170 1201440968 /nfs/dbraw/zinc/44/09/68/1201440968.db2.gz YFBRFHGJMONHSA-UHFFFAOYSA-N 0 3 375.473 0.894 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000730785653 1201464739 /nfs/dbraw/zinc/46/47/39/1201464739.db2.gz DCXJBOCXARPCKY-DNVCBOLYSA-N 0 3 392.431 0.430 20 0 GCADHN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000730921584 1201467938 /nfs/dbraw/zinc/46/79/38/1201467938.db2.gz XBOOMSQERRBZBP-SFHVURJKSA-N 0 3 399.495 0.648 20 0 GCADHN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000731133990 1201473766 /nfs/dbraw/zinc/47/37/66/1201473766.db2.gz DDIJIIJBLJKNOD-INIZCTEOSA-N 0 3 385.468 0.162 20 0 GCADHN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000731133991 1201474019 /nfs/dbraw/zinc/47/40/19/1201474019.db2.gz DDIJIIJBLJKNOD-MRXNPFEDSA-N 0 3 385.468 0.162 20 0 GCADHN COc1cc(C=O)ccc1OCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000731626438 1201491839 /nfs/dbraw/zinc/49/18/39/1201491839.db2.gz UNDNBUGOUIOOHI-INIZCTEOSA-N 0 3 389.452 0.827 20 0 GCADHN C[C@H]1CN(C(=O)CON=C(N)c2ccccc2CN2CCC(O)CC2)CCO1 ZINC000731664814 1201494464 /nfs/dbraw/zinc/49/44/64/1201494464.db2.gz XMKCPMOOMKIVIZ-HNNXBMFYSA-N 0 3 390.484 0.737 20 0 GCADHN COC(=O)NCCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000732113457 1201522783 /nfs/dbraw/zinc/52/27/83/1201522783.db2.gz VMZMLKUZGVBYFS-UHFFFAOYSA-N 0 3 376.457 0.875 20 0 GCADHN CN(c1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1)S(C)(=O)=O ZINC000732246739 1201528657 /nfs/dbraw/zinc/52/86/57/1201528657.db2.gz YPSZJLQJLUOUCX-IAGOWNOFSA-N 0 3 396.513 0.745 20 0 GCADHN O=C([C@@H]1CCO[C@H]1C1CC1)N1CC[C@H]2CCN(CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001084994300 1201531268 /nfs/dbraw/zinc/53/12/68/1201531268.db2.gz JYWMCXACPBVTAB-KBEGMRNHSA-N 0 3 390.484 0.276 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCCC[C@H]1C1OCCO1 ZINC000732460059 1201544160 /nfs/dbraw/zinc/54/41/60/1201544160.db2.gz XNAICAUFGORDTR-HOTGVXAUSA-N 0 3 382.505 0.866 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000733170547 1201578828 /nfs/dbraw/zinc/57/88/28/1201578828.db2.gz OVPMMWWIHBHROS-KRWDZBQOSA-N 0 3 375.517 0.922 20 0 GCADHN CCN1CCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000733162869 1201578920 /nfs/dbraw/zinc/57/89/20/1201578920.db2.gz VGDWMYKRSSBLCS-UHFFFAOYSA-N 0 3 384.502 0.431 20 0 GCADHN COC(=O)CCc1nc(COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)no1 ZINC000733435265 1201589845 /nfs/dbraw/zinc/58/98/45/1201589845.db2.gz JITQXPSRAHDGOZ-JGVFFNPUSA-N 0 3 379.291 0.676 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001065292703 1201624532 /nfs/dbraw/zinc/62/45/32/1201624532.db2.gz QQQUYZPLBHNPIN-JHMPBIJASA-N 0 3 379.501 0.484 20 0 GCADHN CCC[C@@H]1CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000177268088 1201628849 /nfs/dbraw/zinc/62/88/49/1201628849.db2.gz IDIPDUAYTWOMQL-GOSISDBHSA-N 0 3 380.533 0.502 20 0 GCADHN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCN(C4CC4)C3)C2=O)cc1 ZINC000144511320 1201632401 /nfs/dbraw/zinc/63/24/01/1201632401.db2.gz LMHIBRSHXLVOCI-JLTOFOAXSA-N 0 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ZINC000735590062 1201693949 /nfs/dbraw/zinc/69/39/49/1201693949.db2.gz ONIBXURMLHQPJC-GJZGRUSLSA-N 0 3 375.425 0.766 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000735590136 1201693998 /nfs/dbraw/zinc/69/39/98/1201693998.db2.gz ONIBXURMLHQPJC-LSDHHAIUSA-N 0 3 375.425 0.766 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000735591197 1201694655 /nfs/dbraw/zinc/69/46/55/1201694655.db2.gz YIDFCPZATZFWOJ-MSOLQXFVSA-N 0 3 383.452 0.849 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000735589965 1201694663 /nfs/dbraw/zinc/69/46/63/1201694663.db2.gz NCWUXHJCSMOBFY-DLBZAZTESA-N 0 3 384.440 0.244 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000735591185 1201694859 /nfs/dbraw/zinc/69/48/59/1201694859.db2.gz XVDGQGPRRWPULT-IXDOHACOSA-N 0 3 384.480 0.981 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735591948 1201695243 /nfs/dbraw/zinc/69/52/43/1201695243.db2.gz AKFAKPJOVPPAKG-GDBMZVCRSA-N 0 3 391.424 0.156 20 0 GCADHN COC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735594418 1201695454 /nfs/dbraw/zinc/69/54/54/1201695454.db2.gz LXOVZWMXADIIRO-HUUCEWRRSA-N 0 3 376.413 0.783 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735591950 1201695533 /nfs/dbraw/zinc/69/55/33/1201695533.db2.gz AKFAKPJOVPPAKG-HOCLYGCPSA-N 0 3 391.424 0.156 20 0 GCADHN CC(C)n1ncc2cc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cnc21 ZINC000735596849 1201696249 /nfs/dbraw/zinc/69/62/49/1201696249.db2.gz UOPNXTNXSKVKDF-JKSUJKDBSA-N 0 3 386.456 0.930 20 0 GCADHN CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000735597859 1201696536 /nfs/dbraw/zinc/69/65/36/1201696536.db2.gz ZXZMGVKUYNBVOZ-CHWSQXEVSA-N 0 3 394.859 0.618 20 0 GCADHN O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000735831507 1201701868 /nfs/dbraw/zinc/70/18/68/1201701868.db2.gz LHATYTWUXFGORZ-UHFFFAOYSA-N 0 3 399.488 0.843 20 0 GCADHN O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCN(CC2CCOCC2)CC1 ZINC000736282244 1201712617 /nfs/dbraw/zinc/71/26/17/1201712617.db2.gz QGJBUMCWNYHNBH-UHFFFAOYSA-N 0 3 378.473 0.722 20 0 GCADHN CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCCC1)C2 ZINC001273344390 1201717993 /nfs/dbraw/zinc/71/79/93/1201717993.db2.gz ZLYPPGCVSADKOZ-SFHVURJKSA-N 0 3 386.562 0.982 20 0 GCADHN CN(C(=O)NCCCCN1CCN(C)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737064895 1201719883 /nfs/dbraw/zinc/71/98/83/1201719883.db2.gz KRVOAESQNBIBCT-AWEZNQCLSA-N 0 3 393.454 0.819 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(F)c1 ZINC000737219175 1201724789 /nfs/dbraw/zinc/72/47/89/1201724789.db2.gz UBASOYDTLVNKQC-QWHCGFSZSA-N 0 3 379.388 0.530 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)OC)cc2)CC1 ZINC000737278301 1201725693 /nfs/dbraw/zinc/72/56/93/1201725693.db2.gz YOFOLTVDDJEVEP-CQSZACIVSA-N 0 3 376.457 0.692 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC[S@@](C)=O)c(C)c2)CC1 ZINC000737292980 1201726318 /nfs/dbraw/zinc/72/63/18/1201726318.db2.gz IFMLQUTTZXVJOB-AREMUKBSSA-N 0 3 380.514 0.570 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@](C)(O)COC)cc2)CC1 ZINC000737300663 1201727258 /nfs/dbraw/zinc/72/72/58/1201727258.db2.gz KRKDXKOWLAAXQA-LJQANCHMSA-N 0 3 378.473 0.281 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC1 ZINC000738159740 1201734823 /nfs/dbraw/zinc/73/48/23/1201734823.db2.gz AZXUCZMDEVBEOG-UHFFFAOYSA-N 0 3 389.500 0.295 20 0 GCADHN COc1cccc(COC[C@H](O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000740423128 1201747432 /nfs/dbraw/zinc/74/74/32/1201747432.db2.gz BWZUMXGGWULTHP-JKSUJKDBSA-N 0 3 387.502 0.078 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)ccc1F ZINC000740493833 1201747443 /nfs/dbraw/zinc/74/74/43/1201747443.db2.gz ICXKGFNOJVUGJV-ZDUSSCGKSA-N 0 3 394.447 0.551 20 0 GCADHN COc1cccc(COC[C@H](O)CN2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000740423127 1201747557 /nfs/dbraw/zinc/74/75/57/1201747557.db2.gz BWZUMXGGWULTHP-HZPDHXFCSA-N 0 3 387.502 0.078 20 0 GCADHN Cc1cccc(F)c1CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000804259541 1201753639 /nfs/dbraw/zinc/75/36/39/1201753639.db2.gz WTPMPMPIMUFPOS-QGZVFWFLSA-N 0 3 392.475 0.809 20 0 GCADHN CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C(=O)C1 ZINC000741208960 1201765570 /nfs/dbraw/zinc/76/55/70/1201765570.db2.gz FGUVLCFTAMQPCB-CABCVRRESA-N 0 3 396.488 0.045 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=S)NC3CCN(C)CC3)cn2)C[C@@H](C)O1 ZINC000741504693 1201780585 /nfs/dbraw/zinc/78/05/85/1201780585.db2.gz BMTMBTYQOKYJFS-ZIAGYGMSSA-N 0 3 394.545 0.900 20 0 GCADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000741808419 1201785572 /nfs/dbraw/zinc/78/55/72/1201785572.db2.gz JFOMYAHBAPKVNW-IAGOWNOFSA-N 0 3 382.505 0.330 20 0 GCADHN C[C@H]1CCCN1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1CCOCC1 ZINC001006287036 1201810503 /nfs/dbraw/zinc/81/05/03/1201810503.db2.gz NIEUSCGNZIHYON-MLHJIOFPSA-N 0 3 378.517 0.441 20 0 GCADHN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn[nH]n2)C1 ZINC001006290082 1201816707 /nfs/dbraw/zinc/81/67/07/1201816707.db2.gz PSQWZNUZYPWYFT-QDTBLXIISA-N 0 3 378.452 0.879 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C(=O)N1c1cnn(C)c1 ZINC000743594420 1201821146 /nfs/dbraw/zinc/82/11/46/1201821146.db2.gz URUMPJPLRKRLLE-VDERGJSUSA-N 0 3 376.461 0.076 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cc(CC(C)C)nn2C)CC1 ZINC000743893870 1201826751 /nfs/dbraw/zinc/82/67/51/1201826751.db2.gz FDMQPYPGWASSOQ-INIZCTEOSA-N 0 3 392.548 0.947 20 0 GCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCN1CCC[C@@H]1C)CC2 ZINC000743979569 1201831726 /nfs/dbraw/zinc/83/17/26/1201831726.db2.gz HKYALWYZGOPQSZ-ZDUSSCGKSA-N 0 3 394.497 0.084 20 0 GCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000743978473 1201831984 /nfs/dbraw/zinc/83/19/84/1201831984.db2.gz IQOUMXWCHKSGFP-CYBMUJFWSA-N 0 3 376.457 0.936 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000743982789 1201832365 /nfs/dbraw/zinc/83/23/65/1201832365.db2.gz ZGLWBUBYJSKLIQ-AWEZNQCLSA-N 0 3 394.497 0.766 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000743983894 1201832591 /nfs/dbraw/zinc/83/25/91/1201832591.db2.gz YZRNPAGFKPLWNO-CQSZACIVSA-N 0 3 396.513 0.784 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H]2C)c2ccccc2O1 ZINC000743979950 1201832607 /nfs/dbraw/zinc/83/26/07/1201832607.db2.gz JCRSCTIYVIMXEX-XJKSGUPXSA-N 0 3 375.425 0.554 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3nnnn3C3CC3)cc2)CC1 ZINC000743984672 1201832767 /nfs/dbraw/zinc/83/27/67/1201832767.db2.gz QADYCTIRNGPFTG-UHFFFAOYSA-N 0 3 398.471 0.405 20 0 GCADHN CSc1nnnn1-c1cccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)c1 ZINC000743980983 1201832930 /nfs/dbraw/zinc/83/29/30/1201832930.db2.gz PMISXWHMASVFIK-GFCCVEGCSA-N 0 3 389.485 0.923 20 0 GCADHN COCCN1C(=O)c2ccc(C(=O)NCCN3CC[C@H](C)C3)cc2S1(=O)=O ZINC000744799085 1201854983 /nfs/dbraw/zinc/85/49/83/1201854983.db2.gz UBOWLCDATKSHCS-ZDUSSCGKSA-N 0 3 395.481 0.549 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 ZINC000744798229 1201855080 /nfs/dbraw/zinc/85/50/80/1201855080.db2.gz HUCMHHJFSJLOJL-CQSZACIVSA-N 0 3 399.488 0.918 20 0 GCADHN O=C(NC[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001086437359 1201876777 /nfs/dbraw/zinc/87/67/77/1201876777.db2.gz XDENWCODFOFCCM-KDUQRTNCSA-N 0 3 375.473 0.718 20 0 GCADHN C[C@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)CN1CCN(C)CC1 ZINC000745863995 1201892193 /nfs/dbraw/zinc/89/21/93/1201892193.db2.gz ZYKQZFKEVGJWMY-ZIAGYGMSSA-N 0 3 393.454 0.675 20 0 GCADHN COCC[S@](=O)Cc1cccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000746044679 1201897054 /nfs/dbraw/zinc/89/70/54/1201897054.db2.gz BFPVCHKTHFIXQO-QZXCRCNTSA-N 0 3 395.525 0.978 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000766337230 1201897214 /nfs/dbraw/zinc/89/72/14/1201897214.db2.gz VZBIHNWANGKQNS-KRWDZBQOSA-N 0 3 387.484 0.297 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1=O ZINC000746112548 1201900194 /nfs/dbraw/zinc/90/01/94/1201900194.db2.gz OJSFERCHRNTPAZ-SFHVURJKSA-N 0 3 386.496 0.949 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1=O ZINC000746194300 1201902524 /nfs/dbraw/zinc/90/25/24/1201902524.db2.gz MVRVCASRQHWFCK-CABCVRRESA-N 0 3 382.505 0.770 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1=O ZINC000746194302 1201902549 /nfs/dbraw/zinc/90/25/49/1201902549.db2.gz MVRVCASRQHWFCK-GJZGRUSLSA-N 0 3 382.505 0.770 20 0 GCADHN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746220094 1201903810 /nfs/dbraw/zinc/90/38/10/1201903810.db2.gz RZWXZUOAKJWHRD-MRXNPFEDSA-N 0 3 386.452 0.664 20 0 GCADHN C[C@@H](NS(=O)(=O)N1CCNCC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000923603838 1201905754 /nfs/dbraw/zinc/90/57/54/1201905754.db2.gz ATRDDBSCECHMDO-CQSZACIVSA-N 0 3 381.502 0.353 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000189778201 1201909737 /nfs/dbraw/zinc/90/97/37/1201909737.db2.gz ANIYISFUGCUBSM-RBUKOAKNSA-N 0 3 392.544 0.524 20 0 GCADHN Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000191922377 1201911394 /nfs/dbraw/zinc/91/13/94/1201911394.db2.gz YPLUHPXUESTBEN-UHFFFAOYSA-N 0 3 384.484 0.873 20 0 GCADHN CCCC1N=NC(=S)N1CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000766344056 1201911511 /nfs/dbraw/zinc/91/15/11/1201911511.db2.gz OJWKEFWHLCBWOP-CYBMUJFWSA-N 0 3 380.518 0.284 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)N1CCCCC1 ZINC000746372009 1201914594 /nfs/dbraw/zinc/91/45/94/1201914594.db2.gz NAUAJNFKRDNRHM-INIZCTEOSA-N 0 3 392.504 0.144 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)N1CCCCC1 ZINC000746372010 1201914621 /nfs/dbraw/zinc/91/46/21/1201914621.db2.gz NAUAJNFKRDNRHM-MRXNPFEDSA-N 0 3 392.504 0.144 20 0 GCADHN C[C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NC(=O)C1CCCC1 ZINC000103121478 1201917136 /nfs/dbraw/zinc/91/71/36/1201917136.db2.gz IDHLZOOTRZPWER-INIZCTEOSA-N 0 3 378.517 0.838 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000746406928 1201918743 /nfs/dbraw/zinc/91/87/43/1201918743.db2.gz OPTBLQLNYIRSND-WDEREUQCSA-N 0 3 375.351 0.363 20 0 GCADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cn(C(F)(F)CO)nn1 ZINC001168791345 1201923992 /nfs/dbraw/zinc/92/39/92/1201923992.db2.gz ILOFEKAOYVCDTE-KRWDZBQOSA-N 0 3 395.410 0.529 20 0 GCADHN NC(=O)C1(NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1 ZINC000746475862 1201926632 /nfs/dbraw/zinc/92/66/32/1201926632.db2.gz SFJJAWJTDKHELR-UHFFFAOYSA-N 0 3 397.497 0.474 20 0 GCADHN CNC(=O)CN1CCO[C@H]2CN([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001168851896 1201927555 /nfs/dbraw/zinc/92/75/55/1201927555.db2.gz BFFOEMIMQWVFBQ-JJXSEGSLSA-N 0 3 382.505 0.515 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168906192 1201928194 /nfs/dbraw/zinc/92/81/94/1201928194.db2.gz VZROBUBHRKOQFY-OFQRWUPVSA-N 0 3 391.468 0.842 20 0 GCADHN COC(=O)CN1CCN(C(=O)Cc2csc(SCCN(C)C)n2)CC1 ZINC001168877338 1201928387 /nfs/dbraw/zinc/92/83/87/1201928387.db2.gz IWVWKEQBCLSXAT-UHFFFAOYSA-N 0 3 386.543 0.657 20 0 GCADHN CN1[C@@H]2CC[C@H]1C[C@H](N(Cc1cc(=O)n3c(n1)CNCCC3)S(C)(=O)=O)C2 ZINC001169137643 1201933342 /nfs/dbraw/zinc/93/33/42/1201933342.db2.gz DZESUGJCJQUSTJ-MUJYYYPQSA-N 0 3 395.529 0.123 20 0 GCADHN CCn1cnc(CN[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC001169189354 1201934515 /nfs/dbraw/zinc/93/45/15/1201934515.db2.gz FCQWSHCWHKLGIP-CQSZACIVSA-N 0 3 387.488 0.999 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1ncc2c1CCNC2 ZINC001169194141 1201935399 /nfs/dbraw/zinc/93/53/99/1201935399.db2.gz ZVMBBJBQZVOHOD-CYBMUJFWSA-N 0 3 385.472 0.707 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[C@](F)(CO)C1 ZINC001169194149 1201935739 /nfs/dbraw/zinc/93/57/39/1201935739.db2.gz ZZBMVVTXWRALNL-SCLBCKFNSA-N 0 3 381.452 0.399 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)CC(=O)N(C)C ZINC001169204003 1201936193 /nfs/dbraw/zinc/93/61/93/1201936193.db2.gz YYQYTFSDXLKJER-CYBMUJFWSA-N 0 3 378.477 0.013 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)Nc1ccc(CN)nc1 ZINC001169182740 1201937924 /nfs/dbraw/zinc/93/79/24/1201937924.db2.gz ZJSRZBGVBLDJAI-ZDUSSCGKSA-N 0 3 385.472 0.958 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCOCC12CC2 ZINC001169214190 1201938887 /nfs/dbraw/zinc/93/88/87/1201938887.db2.gz YHKKNMJBCIRWSZ-CQSZACIVSA-N 0 3 375.473 0.857 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCOC2(CC2)C1 ZINC001169213973 1201938901 /nfs/dbraw/zinc/93/89/01/1201938901.db2.gz VYIQYVMUZIXTPD-CQSZACIVSA-N 0 3 375.473 0.857 20 0 GCADHN COC(=O)c1ccc2c(n1)nc(-n1ccc([C@@H](C)N)n1)nc2N1CCOCC1 ZINC001169231022 1201940205 /nfs/dbraw/zinc/94/02/05/1201940205.db2.gz ZWOQEDKZRDPFFF-LLVKDONJSA-N 0 3 383.412 0.853 20 0 GCADHN C=CC(=O)NCc1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000103121620 1201940662 /nfs/dbraw/zinc/94/06/62/1201940662.db2.gz WKKPCFGFGQMQEK-UHFFFAOYSA-N 0 3 384.480 0.869 20 0 GCADHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NC[C@@H]1CNC(=O)CO1 ZINC001169270962 1201941614 /nfs/dbraw/zinc/94/16/14/1201941614.db2.gz KTDPPVFKFCWSKN-HIFRSBDPSA-N 0 3 394.472 0.114 20 0 GCADHN CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1N[C@H](CO)C(N)=O ZINC001169324693 1201942026 /nfs/dbraw/zinc/94/20/26/1201942026.db2.gz BFRCTUWBWXTURD-SWLSCSKDSA-N 0 3 393.488 0.139 20 0 GCADHN CS(=O)(=O)N1CCN(CCNc2cncc([C@H]3CN4CCC3CC4)n2)CC1 ZINC001169337830 1201943421 /nfs/dbraw/zinc/94/34/21/1201943421.db2.gz JJMDZPAPRNQCIZ-INIZCTEOSA-N 0 3 394.545 0.275 20 0 GCADHN CCOC(=O)[C@H]1CC[C@@H](N2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)CO1 ZINC001169391578 1201945573 /nfs/dbraw/zinc/94/55/73/1201945573.db2.gz ZQHKFEMWRADMSR-MZBWOGCUSA-N 0 3 382.457 0.740 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCCn3c(=O)cc(CN(C)C)nc3C2)CO1 ZINC001169399773 1201946195 /nfs/dbraw/zinc/94/61/95/1201946195.db2.gz WSCQBPZTRUXUBE-CVEARBPZSA-N 0 3 378.473 0.621 20 0 GCADHN CC(=O)N1CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001169531595 1201950075 /nfs/dbraw/zinc/95/00/75/1201950075.db2.gz HURTUOLNKOEBPN-FHWLQOOXSA-N 0 3 388.512 0.824 20 0 GCADHN CC(=O)N1CCC[C@@H](NCc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001169586199 1201952902 /nfs/dbraw/zinc/95/29/02/1201952902.db2.gz UUFVHIJZEQRETQ-QGZVFWFLSA-N 0 3 381.498 0.808 20 0 GCADHN CC(=O)N1CCC[C@H](N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)C1 ZINC001169614807 1201953094 /nfs/dbraw/zinc/95/30/94/1201953094.db2.gz JRHAMFSIYRPMIA-WNRNVDISSA-N 0 3 375.473 0.393 20 0 GCADHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NC[C@H]1COCCN1C ZINC001169650951 1201953805 /nfs/dbraw/zinc/95/38/05/1201953805.db2.gz INCRAVCZHIHKLV-WBVHZDCISA-N 0 3 394.516 0.930 20 0 GCADHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NC[C@@H]1COCCN1C ZINC001169650948 1201953830 /nfs/dbraw/zinc/95/38/30/1201953830.db2.gz INCRAVCZHIHKLV-NVXWUHKLSA-N 0 3 394.516 0.930 20 0 GCADHN CNC(=O)CN1CCO[C@H]2CN([C@@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]21 ZINC001169774429 1201956025 /nfs/dbraw/zinc/95/60/25/1201956025.db2.gz YRIWFEWBRWYUTC-QRVBRYPASA-N 0 3 386.496 0.422 20 0 GCADHN C[C@@H]1CN(c2cccc(CN(C)C[C@H](O)C[C@@]3(O)CCOC3)c2)S(=O)(=O)C1 ZINC001169809823 1201957551 /nfs/dbraw/zinc/95/75/51/1201957551.db2.gz DIJAJVTZFXPKRF-LZQZEXGQSA-N 0 3 398.525 0.807 20 0 GCADHN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000767038457 1201965039 /nfs/dbraw/zinc/96/50/39/1201965039.db2.gz TWLLCNWALGFUJN-GXTWGEPZSA-N 0 3 393.513 0.412 20 0 GCADHN C[C@H]1CN(C(=O)CN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)CCO1 ZINC000767154632 1201967246 /nfs/dbraw/zinc/96/72/46/1201967246.db2.gz SUEOYQXZBONMLG-YWZLYKJASA-N 0 3 386.452 0.430 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccccc1 ZINC001108869522 1201976533 /nfs/dbraw/zinc/97/65/33/1201976533.db2.gz NXVOPMYLCIQNLH-XWSJACJDSA-N 0 3 375.469 0.422 20 0 GCADHN NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCn1cc(-c2ccccc2)cn1 ZINC001108913046 1201981859 /nfs/dbraw/zinc/98/18/59/1201981859.db2.gz HKZZKQDXJBJIDN-SQNIBIBYSA-N 0 3 382.468 0.940 20 0 GCADHN O=C(Cc1ccon1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001109098730 1201993952 /nfs/dbraw/zinc/99/39/52/1201993952.db2.gz HNXZHTZVNFQCBH-LMSBXDPUSA-N 0 3 379.457 0.495 20 0 GCADHN CC1(C)CC(N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)CC(C)(C)N1O ZINC001169987047 1202004651 /nfs/dbraw/zinc/00/46/51/1202004651.db2.gz BWUSILCVWAMHCT-INIZCTEOSA-N 0 3 392.500 0.905 20 0 GCADHN O=C(CC1(O)CCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001109254958 1202009562 /nfs/dbraw/zinc/00/95/62/1202009562.db2.gz GVEPHKADFIFPOE-LMSBXDPUSA-N 0 3 382.501 0.570 20 0 GCADHN CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001109264226 1202010018 /nfs/dbraw/zinc/01/00/18/1202010018.db2.gz QJCCHNVCMSHCKO-FXUDXRNXSA-N 0 3 379.505 0.426 20 0 GCADHN CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CCC1=O ZINC001109360549 1202025129 /nfs/dbraw/zinc/02/51/29/1202025129.db2.gz ADQOZEONMWVSNL-UGUYLWEFSA-N 0 3 382.480 0.537 20 0 GCADHN COc1cc(CNCC2(C)OCCO2)ccc1OCC(=O)N1CCOCC1 ZINC000768633342 1202025917 /nfs/dbraw/zinc/02/59/17/1202025917.db2.gz NKZVUHGERLQRSR-UHFFFAOYSA-N 0 3 380.441 0.785 20 0 GCADHN CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)C2 ZINC001109365612 1202026505 /nfs/dbraw/zinc/02/65/05/1202026505.db2.gz UPHZASRBUVWDNF-PMPSAXMXSA-N 0 3 375.535 0.710 20 0 GCADHN CCn1cc(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCNC(=O)COC)C3)cn1 ZINC001109369123 1202029019 /nfs/dbraw/zinc/02/90/19/1202029019.db2.gz HQKCKERGWYKAMN-IKGGRYGDSA-N 0 3 377.489 0.320 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[nH]c3ncn(C)c31)C2 ZINC001109389051 1202034989 /nfs/dbraw/zinc/03/49/89/1202034989.db2.gz RMTKINUPLKIJFZ-XWUBHJNHSA-N 0 3 375.429 0.016 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c(C)nc(=O)[nH]c1C)C2 ZINC001109400480 1202037969 /nfs/dbraw/zinc/03/79/69/1202037969.db2.gz HNGFEJFDYHLQHP-JHNDHUHGSA-N 0 3 378.473 0.460 20 0 GCADHN CN(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCOCC1)C1CC1 ZINC001109402302 1202038347 /nfs/dbraw/zinc/03/83/47/1202038347.db2.gz MVINFDPFXZIIQC-DFEOGRTESA-N 0 3 378.517 0.343 20 0 GCADHN CN(C)[C@@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC1CC1 ZINC001109400747 1202038492 /nfs/dbraw/zinc/03/84/92/1202038492.db2.gz TUPWMQOVZFQWJD-XWSJACJDSA-N 0 3 375.517 0.961 20 0 GCADHN CN(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C(C)(C)C)C1CC1 ZINC001109402673 1202038799 /nfs/dbraw/zinc/03/87/99/1202038799.db2.gz YEZGGFYLGNOYCY-WBTNSWJXSA-N 0 3 375.521 0.990 20 0 GCADHN C[C@@H]1CN(C(=O)CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN(C)C2CCC2)C3)CCO1 ZINC001109411645 1202040337 /nfs/dbraw/zinc/04/03/37/1202040337.db2.gz FWKZYWQTXRGBLI-BGTYHANMSA-N 0 3 378.517 0.440 20 0 GCADHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NC[C@@H]1CN3CCC[C@H]3CO1)C2=O ZINC000768999449 1202042681 /nfs/dbraw/zinc/04/26/81/1202042681.db2.gz ZNLOEBUQVALOOH-BXTJHSDWSA-N 0 3 392.500 0.857 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNC(=O)c1ccsc1)C2 ZINC001109423009 1202043770 /nfs/dbraw/zinc/04/37/70/1202043770.db2.gz UZWHLHCAQCHBCK-WCVJEAGWSA-N 0 3 381.498 0.597 20 0 GCADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC1CC1)N(C)C ZINC001109427887 1202046731 /nfs/dbraw/zinc/04/67/31/1202046731.db2.gz ASKVMFHVBQZYMG-AESZEHBQSA-N 0 3 379.505 0.282 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1CC(F)(F)F)C2 ZINC001109431566 1202047896 /nfs/dbraw/zinc/04/78/96/1202047896.db2.gz VLFHOMPZMGWJNF-NDBYEHHHSA-N 0 3 376.379 0.788 20 0 GCADHN C[C@@H](CN1CCN(C)CC1)NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769186189 1202049970 /nfs/dbraw/zinc/04/99/70/1202049970.db2.gz GUPTYGLTONRAPL-INIZCTEOSA-N 0 3 397.564 0.728 20 0 GCADHN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000769251346 1202052428 /nfs/dbraw/zinc/05/24/28/1202052428.db2.gz DDVGBADNVKRJHZ-GJZGRUSLSA-N 0 3 386.452 0.514 20 0 GCADHN CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC(C)(C)C)N(C)C ZINC001109447176 1202053502 /nfs/dbraw/zinc/05/35/02/1202053502.db2.gz DTPFBPQXOAARDC-BARDWOONSA-N 0 3 381.521 0.672 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C)c(=O)c1)C2 ZINC001109454952 1202055122 /nfs/dbraw/zinc/05/51/22/1202055122.db2.gz AGUQBIHCINDPMQ-OWSLCNJRSA-N 0 3 377.485 0.754 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COc1ccc(F)cc1)c1cn[nH]n1 ZINC001109479938 1202060282 /nfs/dbraw/zinc/06/02/82/1202060282.db2.gz MHQWOCWEPKXUSO-RMRKRWHISA-N 0 3 375.404 0.719 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000769534026 1202061295 /nfs/dbraw/zinc/06/12/95/1202061295.db2.gz YHDOILNWAIUTDJ-CABCVRRESA-N 0 3 397.520 0.848 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CNC(C)=O)cc1)C2 ZINC001109491013 1202064363 /nfs/dbraw/zinc/06/43/63/1202064363.db2.gz CEBCYAABVXZULG-XWSJACJDSA-N 0 3 375.469 0.665 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC000769758634 1202070208 /nfs/dbraw/zinc/07/02/08/1202070208.db2.gz AKSSHUUPYYGBJO-CQSZACIVSA-N 0 3 399.586 0.324 20 0 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/nfs/dbraw/zinc/40/84/95/1205408495.db2.gz GRKVICFNBDITCF-HOTGVXAUSA-N 0 3 391.468 0.342 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)NCc2ccn(-c3ccccc3)n2)CC1 ZINC000787901254 1205409255 /nfs/dbraw/zinc/40/92/55/1205409255.db2.gz AXXLJEXJQNTUAJ-UHFFFAOYSA-N 0 3 398.511 0.632 20 0 GCADHN CC(C)Oc1ccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cn1 ZINC000787983518 1205412184 /nfs/dbraw/zinc/41/21/84/1205412184.db2.gz PIYADGVTYGUWAS-HOTGVXAUSA-N 0 3 376.457 0.464 20 0 GCADHN CC(C)Oc1ccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cn1 ZINC000787983524 1205412204 /nfs/dbraw/zinc/41/22/04/1205412204.db2.gz PIYADGVTYGUWAS-JKSUJKDBSA-N 0 3 376.457 0.464 20 0 GCADHN CCN(CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1C ZINC000788034582 1205412526 /nfs/dbraw/zinc/41/25/26/1205412526.db2.gz LZNJCGBODXNQEJ-ROUUACIJSA-N 0 3 388.512 0.917 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000788101164 1205413154 /nfs/dbraw/zinc/41/31/54/1205413154.db2.gz NYFDEHILXRHRES-MRXNPFEDSA-N 0 3 395.548 0.084 20 0 GCADHN CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000788243321 1205417139 /nfs/dbraw/zinc/41/71/39/1205417139.db2.gz LOFURYYCFYNQPA-DYVFJYSZSA-N 0 3 386.518 0.277 20 0 GCADHN COc1c(C)cnc(CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)c1C ZINC000788254245 1205417322 /nfs/dbraw/zinc/41/73/22/1205417322.db2.gz SSDDGZXSRXCSER-SFHVURJKSA-N 0 3 380.514 0.877 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](c3nccn3C)C2)CCSC1 ZINC000788245368 1205417553 /nfs/dbraw/zinc/41/75/53/1205417553.db2.gz PSWMOPSNLYYODB-RDTXWAMCSA-N 0 3 379.530 0.680 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCSC(C)(C)C ZINC000788381653 1205421505 /nfs/dbraw/zinc/42/15/05/1205421505.db2.gz YCOBZDHBZRZFFK-CQSZACIVSA-N 0 3 386.562 0.693 20 0 GCADHN O=C(NCCCc1nc2ccccc2[nH]1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000788458791 1205423271 /nfs/dbraw/zinc/42/32/71/1205423271.db2.gz HMEAEQVNHNSVMP-HUUCEWRRSA-N 0 3 385.468 0.591 20 0 GCADHN COC(=O)[C@H](O)C1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788485548 1205423979 /nfs/dbraw/zinc/42/39/79/1205423979.db2.gz MFXRXHJRRZOCAS-MRXNPFEDSA-N 0 3 385.505 0.785 20 0 GCADHN NC(=NOC[C@@H]1CCS(=O)(=O)C1)c1ccccc1CN1CCC(O)CC1 ZINC000788501147 1205424290 /nfs/dbraw/zinc/42/42/90/1205424290.db2.gz AQPPWEMVZNUCGZ-AWEZNQCLSA-N 0 3 381.498 0.925 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@H](O)C[C@@H]3C(=O)OC)cc2)CC1 ZINC000788602567 1205426421 /nfs/dbraw/zinc/42/64/21/1205426421.db2.gz QZPBHBMWXMNGBS-QZTJIDSGSA-N 0 3 390.484 0.375 20 0 GCADHN C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000788655862 1205428042 /nfs/dbraw/zinc/42/80/42/1205428042.db2.gz BSCUNNNQLOWABL-XYJFISCASA-N 0 3 387.484 0.939 20 0 GCADHN CCOC(=O)[C@@H]1[C@@H](NC[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)OC(C)(C)C ZINC000788692026 1205428065 /nfs/dbraw/zinc/42/80/65/1205428065.db2.gz OWCLRTZIUWLYSK-IHRRRGAJSA-N 0 3 390.502 0.952 20 0 GCADHN CN(CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)OC(C)(C)C ZINC000788893649 1205432021 /nfs/dbraw/zinc/43/20/21/1205432021.db2.gz SZAJCRSDAJOSJF-HUUCEWRRSA-N 0 3 398.504 0.339 20 0 GCADHN COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000789061575 1205434411 /nfs/dbraw/zinc/43/44/11/1205434411.db2.gz LWWULTOYDMNXLL-QEJZJMRPSA-N 0 3 379.432 0.991 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000789760078 1205446401 /nfs/dbraw/zinc/44/64/01/1205446401.db2.gz YIBNXSXGCJUMMM-SJORKVTESA-N 0 3 375.444 0.953 20 0 GCADHN C[C@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)c1nnnn1C ZINC000790164028 1205457740 /nfs/dbraw/zinc/45/77/40/1205457740.db2.gz JLOWCZLLDLQJBS-INIZCTEOSA-N 0 3 386.504 0.778 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1ccn(-c2ccccc2)n1)CN1CCN(C)CC1 ZINC000790182445 1205458038 /nfs/dbraw/zinc/45/80/38/1205458038.db2.gz CGEANXGWOBFGPZ-QGZVFWFLSA-N 0 3 398.511 0.488 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)COc1ccccc1)CN1CCN(C)CC1 ZINC000790193915 1205458245 /nfs/dbraw/zinc/45/82/45/1205458245.db2.gz CTGIKHLOCZPEJN-SJORKVTESA-N 0 3 376.501 0.570 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(C)Cc1ncc(Cl)n1C)CN1CCN(C)CC1 ZINC000790196616 1205458709 /nfs/dbraw/zinc/45/87/09/1205458709.db2.gz SPLSEFMEKUMKNM-ZDUSSCGKSA-N 0 3 384.912 0.032 20 0 GCADHN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000790196049 1205459090 /nfs/dbraw/zinc/45/90/90/1205459090.db2.gz QPRNLQBYTIMKTH-KDOFPFPSSA-N 0 3 388.516 0.278 20 0 GCADHN Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000790183646 1205459323 /nfs/dbraw/zinc/45/93/23/1205459323.db2.gz GQSGZPZZMOMJKP-QZTJIDSGSA-N 0 3 390.528 0.878 20 0 GCADHN O=C(NCC(F)(F)F)[C@@H]1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)C1 ZINC000790388454 1205462967 /nfs/dbraw/zinc/46/29/67/1205462967.db2.gz STHFMQBVUZCOKG-MLGOLLRUSA-N 0 3 390.406 0.861 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CN2C[C@]3(CN4CCC3CC4)OC2=O)C1 ZINC000790371033 1205463903 /nfs/dbraw/zinc/46/39/03/1205463903.db2.gz OCOZAMTVGVCROK-YRNRMSPPSA-N 0 3 394.516 0.724 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000790471378 1205465109 /nfs/dbraw/zinc/46/51/09/1205465109.db2.gz JZYFZYMIRZGGMI-LSDHHAIUSA-N 0 3 380.489 0.809 20 0 GCADHN CN1CCN(CCCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792025165 1205482927 /nfs/dbraw/zinc/48/29/27/1205482927.db2.gz JZCJEMRQKMBJMS-UHFFFAOYSA-N 0 3 397.564 0.683 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC000792263438 1205485976 /nfs/dbraw/zinc/48/59/76/1205485976.db2.gz YVZPZZRVXVBKPN-GJZGRUSLSA-N 0 3 397.520 0.848 20 0 GCADHN CC[C@@]1(NCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CCOC1 ZINC000792429534 1205487534 /nfs/dbraw/zinc/48/75/34/1205487534.db2.gz ZUXQFMOJGGUPND-RBUKOAKNSA-N 0 3 390.440 0.652 20 0 GCADHN C[C@H](Cc1ccccc1Cl)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001170264316 1205489936 /nfs/dbraw/zinc/48/99/36/1205489936.db2.gz WYRVKXDWZUQFEQ-DOMZBBRYSA-N 0 3 380.876 0.453 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(CS(C)(=O)=O)cc1)N1CCCCC1 ZINC000793482168 1205499162 /nfs/dbraw/zinc/49/91/62/1205499162.db2.gz KESILLDQBRQNAM-HNNXBMFYSA-N 0 3 395.525 0.838 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1ccc(CS(C)(=O)=O)cc1)N1CCCCC1 ZINC000793482171 1205499173 /nfs/dbraw/zinc/49/91/73/1205499173.db2.gz KESILLDQBRQNAM-OAHLLOKOSA-N 0 3 395.525 0.838 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1)N1CCCCC1 ZINC000793708611 1205502843 /nfs/dbraw/zinc/50/28/43/1205502843.db2.gz IXLDVKWLCOXDRV-ROUUACIJSA-N 0 3 380.533 0.548 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1)N1CCCCC1 ZINC000793713235 1205503163 /nfs/dbraw/zinc/50/31/63/1205503163.db2.gz OBURXXJPIJSDAJ-HNNXBMFYSA-N 0 3 395.525 0.838 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)N1CCCCC1 ZINC000793713900 1205503211 /nfs/dbraw/zinc/50/32/11/1205503211.db2.gz PRRRSCRZKNJRDL-SJLPKXTDSA-N 0 3 386.496 0.894 20 0 GCADHN O=C(NCc1ccccc1-n1ccnc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793715992 1205503425 /nfs/dbraw/zinc/50/34/25/1205503425.db2.gz BSIJCSPPQQRARF-IRXDYDNUSA-N 0 3 383.452 0.468 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793698479 1205504046 /nfs/dbraw/zinc/50/40/46/1205504046.db2.gz JRVRBLWLZQABBG-QWHCGFSZSA-N 0 3 392.422 0.647 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1)N1CCCCC1 ZINC000793695651 1205504103 /nfs/dbraw/zinc/50/41/03/1205504103.db2.gz DQFNHXMWLTZUIT-GJZGRUSLSA-N 0 3 377.464 0.906 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)N1CCCCC1 ZINC000793700848 1205504313 /nfs/dbraw/zinc/50/43/13/1205504313.db2.gz PJRPWADIEROVCW-GJZGRUSLSA-N 0 3 390.488 0.022 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1)N1CCCCC1 ZINC000793708003 1205504520 /nfs/dbraw/zinc/50/45/20/1205504520.db2.gz HOCHXMNRIBRDSR-INIZCTEOSA-N 0 3 387.484 0.357 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)NC[C@@H](C)N3CCCCC3)CC2)no1 ZINC000793706545 1205504585 /nfs/dbraw/zinc/50/45/85/1205504585.db2.gz FGWRGXKQNZFZOH-OAHLLOKOSA-N 0 3 377.489 0.618 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793703593 1205504646 /nfs/dbraw/zinc/50/46/46/1205504646.db2.gz YFAMINSBGXEXIB-SJORKVTESA-N 0 3 395.548 0.036 20 0 GCADHN CCN(C)c1ccccc1CNC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000793815562 1205507248 /nfs/dbraw/zinc/50/72/48/1205507248.db2.gz GMUZKVODFYAOCB-UHFFFAOYSA-N 0 3 376.501 0.986 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000793814965 1205507397 /nfs/dbraw/zinc/50/73/97/1205507397.db2.gz CJLOOWWENOAMRR-UHFFFAOYSA-N 0 3 398.504 0.197 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000793816704 1205507620 /nfs/dbraw/zinc/50/76/20/1205507620.db2.gz KWHKXJYEOPEDMY-OAHLLOKOSA-N 0 3 398.504 0.339 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000793818155 1205507624 /nfs/dbraw/zinc/50/76/24/1205507624.db2.gz UOQOHLIJEFKTMS-CQSZACIVSA-N 0 3 398.504 0.197 20 0 GCADHN CN(CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1F ZINC000793828726 1205507888 /nfs/dbraw/zinc/50/78/88/1205507888.db2.gz RHUPJAPSGSMKMB-JKSUJKDBSA-N 0 3 392.475 0.748 20 0 GCADHN Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000793866015 1205508049 /nfs/dbraw/zinc/50/80/49/1205508049.db2.gz NDTRIFIGXYNZEN-GJZGRUSLSA-N 0 3 392.525 0.999 20 0 GCADHN COc1ccc(OCCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000793863151 1205508175 /nfs/dbraw/zinc/50/81/75/1205508175.db2.gz CFWRAQREDOMHJY-MAUKXSAKSA-N 0 3 391.468 0.560 20 0 GCADHN CN(CCNC(=O)C(=O)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000793937594 1205510467 /nfs/dbraw/zinc/51/04/67/1205510467.db2.gz PMZHGMVLWNFYOQ-IBGZPJMESA-N 0 3 382.505 0.960 20 0 GCADHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000793938861 1205510702 /nfs/dbraw/zinc/51/07/02/1205510702.db2.gz VCMYEQHVDVYXBR-UONOGXRCSA-N 0 3 382.505 0.959 20 0 GCADHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000794279577 1205513222 /nfs/dbraw/zinc/51/32/22/1205513222.db2.gz VMEWFBRXYUAGJM-KRWDZBQOSA-N 0 3 398.548 0.892 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794398505 1205514409 /nfs/dbraw/zinc/51/44/09/1205514409.db2.gz CPDABCXNLIPWOY-CVEARBPZSA-N 0 3 384.521 0.501 20 0 GCADHN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000804569794 1205517935 /nfs/dbraw/zinc/51/79/35/1205517935.db2.gz NCNKMFXEYUSGCA-SUMWQHHRSA-N 0 3 384.480 0.983 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000804569792 1205518045 /nfs/dbraw/zinc/51/80/45/1205518045.db2.gz NCNKMFXEYUSGCA-DYVFJYSZSA-N 0 3 384.480 0.983 20 0 GCADHN O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129858284 1205521242 /nfs/dbraw/zinc/52/12/42/1205521242.db2.gz UHTBTLLQWFOMAN-ILOCAZANSA-N 0 3 375.473 0.231 20 0 GCADHN CC1(C)CN=C(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)S1 ZINC000804729559 1205523868 /nfs/dbraw/zinc/52/38/68/1205523868.db2.gz NDZRNRYRLIGRGU-OAHLLOKOSA-N 0 3 393.557 0.613 20 0 GCADHN CC1(C)CN=C(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)S1 ZINC000804729557 1205523878 /nfs/dbraw/zinc/52/38/78/1205523878.db2.gz NDZRNRYRLIGRGU-HNNXBMFYSA-N 0 3 393.557 0.613 20 0 GCADHN CN(CCCNC(=O)OC(C)(C)C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804732214 1205523947 /nfs/dbraw/zinc/52/39/47/1205523947.db2.gz HNAUWWBNRNAEQV-OAHLLOKOSA-N 0 3 382.505 0.960 20 0 GCADHN Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cn1 ZINC000804730066 1205524100 /nfs/dbraw/zinc/52/41/00/1205524100.db2.gz WTSOFCGYASTCGN-FGTMMUONSA-N 0 3 389.500 0.435 20 0 GCADHN O=C(NCc1ccc(N2CCOC2=O)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000804731742 1205524338 /nfs/dbraw/zinc/52/43/38/1205524338.db2.gz SNOAINVGYKJEEA-MRXNPFEDSA-N 0 3 386.452 0.860 20 0 GCADHN CC(C)COC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000804731967 1205524463 /nfs/dbraw/zinc/52/44/63/1205524463.db2.gz ZUHPPBFFFFDBFD-QGZVFWFLSA-N 0 3 394.516 0.914 20 0 GCADHN CN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000804732782 1205524611 /nfs/dbraw/zinc/52/46/11/1205524611.db2.gz ZAZPMKLGZPYWRI-RTBURBONSA-N 0 3 398.507 0.846 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129938467 1205525013 /nfs/dbraw/zinc/52/50/13/1205525013.db2.gz ZXHGPEPNSSBPJS-KNEKCZJMSA-N 0 3 387.484 0.470 20 0 GCADHN CC(C)OCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@@H]1n1ccnn1 ZINC001130012005 1205528479 /nfs/dbraw/zinc/52/84/79/1205528479.db2.gz IVYPOPLKGXYJTG-KONPQCLYSA-N 0 3 387.488 0.582 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCCCS(=O)(=O)CC)[C@@H](n2ccnn2)C1 ZINC001130012183 1205528586 /nfs/dbraw/zinc/52/85/86/1205528586.db2.gz SWIIIWAQCPWCHG-FPCVCCKLSA-N 0 3 383.518 0.491 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001130009184 1205529099 /nfs/dbraw/zinc/52/90/99/1205529099.db2.gz APPJZJMPHARGFM-XQHKEYJVSA-N 0 3 388.394 0.296 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000805073884 1205532122 /nfs/dbraw/zinc/53/21/22/1205532122.db2.gz AIOJBUMLYAVXEZ-GVDBMIGSSA-N 0 3 379.505 0.829 20 0 GCADHN CN(CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1=NS(=O)(=O)c2ccccc21 ZINC000747237640 1205534407 /nfs/dbraw/zinc/53/44/07/1205534407.db2.gz YLAAKSCIQFIINA-KGLIPLIRSA-N 0 3 392.481 0.047 20 0 GCADHN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130223409 1205537918 /nfs/dbraw/zinc/53/79/18/1205537918.db2.gz RXTIHECBVMKOMC-LOWDOPEQSA-N 0 3 378.477 0.051 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)N2CCC2)[n-]1 ZINC001130238220 1205539008 /nfs/dbraw/zinc/53/90/08/1205539008.db2.gz ZWYGXOUYKJVYKI-BARDWOONSA-N 0 3 390.488 0.161 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1C ZINC000747327424 1205556816 /nfs/dbraw/zinc/55/68/16/1205556816.db2.gz VEXXMWGDJMRJSA-SJORKVTESA-N 0 3 395.525 0.951 20 0 GCADHN CC[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCCCS(C)(=O)=O)C1 ZINC001130678409 1205559682 /nfs/dbraw/zinc/55/96/82/1205559682.db2.gz ZRUFPBCPECQOFY-PNBKFKSVSA-N 0 3 382.530 0.785 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806601198 1205560121 /nfs/dbraw/zinc/56/01/21/1205560121.db2.gz KOHATLYBMZZMGS-OAHLLOKOSA-N 0 3 382.892 0.963 20 0 GCADHN Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]2NCCNC(=O)C2CC2)c1 ZINC001130692645 1205560139 /nfs/dbraw/zinc/56/01/39/1205560139.db2.gz VWEBQKSVPLTAAP-MJQMVNBJSA-N 0 3 385.512 0.876 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000806710206 1205564394 /nfs/dbraw/zinc/56/43/94/1205564394.db2.gz OZQJMYOYWKKFQE-OWCLPIDISA-N 0 3 381.473 0.110 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1)N1CCC[C@@H](C)C1 ZINC000806714652 1205564910 /nfs/dbraw/zinc/56/49/10/1205564910.db2.gz FRDZIXKZLLYNQX-OWCLPIDISA-N 0 3 383.489 0.261 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000747344759 1205566039 /nfs/dbraw/zinc/56/60/39/1205566039.db2.gz XOUVPIXJBSKYFF-SJORKVTESA-N 0 3 395.525 0.951 20 0 GCADHN Cc1cc([C@H]2CCCN2C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)no1 ZINC000806788609 1205567355 /nfs/dbraw/zinc/56/73/55/1205567355.db2.gz WMOIPSRWYCBEBB-MRXNPFEDSA-N 0 3 377.489 0.789 20 0 GCADHN CCOC(=O)C1=C(Nc2ccc(CN3CCNC3=N[N+](=O)[O-])cn2)CCNC1 ZINC001170513611 1205569787 /nfs/dbraw/zinc/56/97/87/1205569787.db2.gz RIXSTPQBEICZTQ-UHFFFAOYSA-N 0 3 389.416 0.257 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)Cc3nncn3C)cc2)CC1 ZINC000807514197 1205583178 /nfs/dbraw/zinc/58/31/78/1205583178.db2.gz LDVAFSSDOQLNGX-UHFFFAOYSA-N 0 3 385.472 0.554 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000807481280 1205583466 /nfs/dbraw/zinc/58/34/66/1205583466.db2.gz BXVPPVODCNXNNM-OAHLLOKOSA-N 0 3 382.505 0.960 20 0 GCADHN Cc1cccc(F)c1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000807521680 1205584494 /nfs/dbraw/zinc/58/44/94/1205584494.db2.gz NGOJVASVAHMDIJ-UHFFFAOYSA-N 0 3 390.459 0.517 20 0 GCADHN Cc1ccc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2=O)cc1 ZINC000807584704 1205585407 /nfs/dbraw/zinc/58/54/07/1205585407.db2.gz GAUPARWGBIREBR-MSOLQXFVSA-N 0 3 384.480 0.913 20 0 GCADHN CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000807825212 1205590929 /nfs/dbraw/zinc/59/09/29/1205590929.db2.gz IWRIIQCPHLFFBQ-CQSZACIVSA-N 0 3 382.505 0.912 20 0 GCADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC000807840937 1205591233 /nfs/dbraw/zinc/59/12/33/1205591233.db2.gz OEFOXQYOKZHNSR-GOSISDBHSA-N 0 3 388.512 0.746 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H](NC/C=C/Cl)C1 ZINC001131070416 1205591551 /nfs/dbraw/zinc/59/15/51/1205591551.db2.gz UOSMZOZLNYRWDX-NNCSVZIBSA-N 0 3 379.892 0.781 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000807828690 1205591988 /nfs/dbraw/zinc/59/19/88/1205591988.db2.gz BQTFMBNEVPCODP-HOCLYGCPSA-N 0 3 380.489 0.666 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1 ZINC000807834025 1205592794 /nfs/dbraw/zinc/59/27/94/1205592794.db2.gz IUFJAIJJPHZWOF-AWEZNQCLSA-N 0 3 386.493 0.006 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCc2ccnn2C)c1 ZINC000808016118 1205596667 /nfs/dbraw/zinc/59/66/67/1205596667.db2.gz FKAVRMRBPNSIRJ-UHFFFAOYSA-N 0 3 387.484 0.678 20 0 GCADHN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000808156103 1205600711 /nfs/dbraw/zinc/60/07/11/1205600711.db2.gz ACGCSINYPAMHMF-QYWGDWMGSA-N 0 3 398.463 0.047 20 0 GCADHN O=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000808157075 1205600803 /nfs/dbraw/zinc/60/08/03/1205600803.db2.gz SHHZBWYYMGQELO-DLBZAZTESA-N 0 3 388.443 0.972 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C(C)(C)[C@H]2c2cnn(C)c2)CC1 ZINC000808154690 1205600824 /nfs/dbraw/zinc/60/08/24/1205600824.db2.gz PXQYWPYZMUZGIU-GOSISDBHSA-N 0 3 390.532 0.773 20 0 GCADHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000808215479 1205602489 /nfs/dbraw/zinc/60/24/89/1205602489.db2.gz BNMKICAPQISPPN-RBUKOAKNSA-N 0 3 398.507 0.991 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000808219975 1205602568 /nfs/dbraw/zinc/60/25/68/1205602568.db2.gz UXTBZYCBSZIWLZ-INIZCTEOSA-N 0 3 376.432 0.877 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000808222795 1205602669 /nfs/dbraw/zinc/60/26/69/1205602669.db2.gz IAVZZAHMWCYDIF-ROUUACIJSA-N 0 3 386.496 0.894 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000808222792 1205602682 /nfs/dbraw/zinc/60/26/82/1205602682.db2.gz IAVZZAHMWCYDIF-QZTJIDSGSA-N 0 3 386.496 0.894 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@@H](O)c2cccc(F)c2)CC1=O ZINC000808269614 1205604451 /nfs/dbraw/zinc/60/44/51/1205604451.db2.gz KYROVCCRSWZMHB-DLBZAZTESA-N 0 3 381.448 0.545 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)CC2CCC3(CC2)OCCO3)CC1=O ZINC000808269973 1205604579 /nfs/dbraw/zinc/60/45/79/1205604579.db2.gz PLHIGWVASVTDIU-QGZVFWFLSA-N 0 3 397.516 0.605 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3CC[C@@H](CO)[C@@H](O)C3)cc2)CC1 ZINC000808751907 1205611378 /nfs/dbraw/zinc/61/13/78/1205611378.db2.gz ORURXABAQBZVHU-LPHOPBHVSA-N 0 3 376.501 0.442 20 0 GCADHN COc1ccc(CNC(=O)CNCCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1 ZINC001131506079 1205614229 /nfs/dbraw/zinc/61/42/29/1205614229.db2.gz MAWZWTIHPSEXLT-VDZJLULYSA-N 0 3 375.469 0.832 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1COC2=O ZINC000808923351 1205614410 /nfs/dbraw/zinc/61/44/10/1205614410.db2.gz NXHXGGWUJIDEQB-CYBMUJFWSA-N 0 3 375.425 0.865 20 0 GCADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C ZINC000808923651 1205614437 /nfs/dbraw/zinc/61/44/37/1205614437.db2.gz ZXSPSRHASCENOU-SJLPKXTDSA-N 0 3 388.512 0.948 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@H](C(F)(F)F)C1 ZINC001131516572 1205615299 /nfs/dbraw/zinc/61/52/99/1205615299.db2.gz HYUPKXNFQLHJPG-GNIPQWQFSA-N 0 3 389.418 0.917 20 0 GCADHN CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC001131528323 1205616520 /nfs/dbraw/zinc/61/65/20/1205616520.db2.gz RJASLKFUWPUWFK-XFKSJGNHSA-N 0 3 393.528 0.781 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCCOc1ccc(F)cc1 ZINC001131524564 1205617193 /nfs/dbraw/zinc/61/71/93/1205617193.db2.gz JBUVUJFZJWIQEG-BCDMZGRMSA-N 0 3 391.443 0.450 20 0 GCADHN CC(C)NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001131564497 1205618397 /nfs/dbraw/zinc/61/83/97/1205618397.db2.gz LZSQZYTZOUJHPN-JZGRTCEGSA-N 0 3 381.517 0.922 20 0 GCADHN C[C@H](Nc1ccccc1-c1cn(S(=O)(=O)N(C)C)cn1)[C@@H]1CNCCO1 ZINC001170571712 1205619449 /nfs/dbraw/zinc/61/94/49/1205619449.db2.gz NVJLJENGUZXXPU-GUYCJALGSA-N 0 3 379.486 0.993 20 0 GCADHN C[C@H](C1CC1)N(C(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CC1 ZINC001131645478 1205621829 /nfs/dbraw/zinc/62/18/29/1205621829.db2.gz ZFFHCZSVPOQHFC-FDZBUTDGSA-N 0 3 379.501 0.533 20 0 GCADHN Cc1ccc(CN(C)C(=O)CNCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)o1 ZINC001131644758 1205621996 /nfs/dbraw/zinc/62/19/96/1205621996.db2.gz FTLBGRYWPADKTN-QILLFSRXSA-N 0 3 379.457 0.304 20 0 GCADHN C[C@@H](NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)N(C)C1CCCCC1 ZINC001131648175 1205622738 /nfs/dbraw/zinc/62/27/38/1205622738.db2.gz OICYCNLXAFAJKW-MXSMSXNCSA-N 0 3 381.517 0.923 20 0 GCADHN C[C@H](NC(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1cccs1 ZINC001131648383 1205622836 /nfs/dbraw/zinc/62/28/36/1205622836.db2.gz WBOKKOSTFQJJPW-AYMQEEERSA-N 0 3 381.498 0.683 20 0 GCADHN COc1ccc(CN2CCCN(c3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)cc1 ZINC000809345548 1205623010 /nfs/dbraw/zinc/62/30/10/1205623010.db2.gz FYBDROWTALXLJJ-UHFFFAOYSA-N 0 3 398.467 0.681 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1cnn(CCN2CCOCC2)c1 ZINC000747560547 1205624465 /nfs/dbraw/zinc/62/44/65/1205624465.db2.gz DHIPTOAPNXVWKC-IAGOWNOFSA-N 0 3 378.477 0.200 20 0 GCADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000809460205 1205625944 /nfs/dbraw/zinc/62/59/44/1205625944.db2.gz UBDZNKGCJGBVRN-GOSISDBHSA-N 0 3 383.496 0.947 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)C1=CCN(C)CC1 ZINC000809706757 1205628838 /nfs/dbraw/zinc/62/88/38/1205628838.db2.gz JVLXQZFATIYHAE-UAGQMJEPSA-N 0 3 389.500 0.459 20 0 GCADHN COC(=O)c1cn([C@@H]2CCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)nn1 ZINC000809977660 1205632314 /nfs/dbraw/zinc/63/23/14/1205632314.db2.gz ONRZLNJJPIXRQO-SJKOYZFVSA-N 0 3 383.449 0.587 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810067832 1205633711 /nfs/dbraw/zinc/63/37/11/1205633711.db2.gz YECLZOOFMVIHAS-TZMCWYRMSA-N 0 3 392.422 0.456 20 0 GCADHN C[C@H](NCCS(=O)(=O)N(C)C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000810261435 1205635127 /nfs/dbraw/zinc/63/51/27/1205635127.db2.gz DCSIUEDHJLKYGI-DOTOQJQBSA-N 0 3 399.513 0.894 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000810270147 1205635162 /nfs/dbraw/zinc/63/51/62/1205635162.db2.gz PXEBFKJZYBBHAR-HOTGVXAUSA-N 0 3 381.498 0.561 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000810270146 1205635263 /nfs/dbraw/zinc/63/52/63/1205635263.db2.gz PXEBFKJZYBBHAR-CVEARBPZSA-N 0 3 381.498 0.561 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCC(=O)NC2=O)CN1C(=O)OC(C)(C)C ZINC001170616998 1205642966 /nfs/dbraw/zinc/64/29/66/1205642966.db2.gz MPXJSRNDCNSINE-XQQFMLRXSA-N 0 3 383.445 0.712 20 0 GCADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccc(-n3cncn3)n2)CC1 ZINC001132910354 1205654010 /nfs/dbraw/zinc/65/40/10/1205654010.db2.gz FVNNQPSMAVZPBK-UHFFFAOYSA-N 0 3 383.456 0.608 20 0 GCADHN CC1(C)C(=O)N(CN2CCN(C(=O)CN3CCCC3)CC2)[C@@H]1[C@H]1CCCO1 ZINC000811748512 1205655116 /nfs/dbraw/zinc/65/51/16/1205655116.db2.gz AHBPLFGMOXNAFP-SJLPKXTDSA-N 0 3 378.517 0.600 20 0 GCADHN CC1(C)C(=O)N(CN2CCN(C(=O)CN3CCCC3)CC2)[C@@H]1[C@@H]1CCCO1 ZINC000811748511 1205655224 /nfs/dbraw/zinc/65/52/24/1205655224.db2.gz AHBPLFGMOXNAFP-FUHWJXTLSA-N 0 3 378.517 0.600 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)C3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000811749601 1205655255 /nfs/dbraw/zinc/65/52/55/1205655255.db2.gz KCAUKMRSSONISA-HKUYNNGSSA-N 0 3 390.528 0.744 20 0 GCADHN COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCC(CN3CCOCC3)CC2)C1=O ZINC000811734716 1205655862 /nfs/dbraw/zinc/65/58/62/1205655862.db2.gz KRNPMPMHIWEVLZ-LJQANCHMSA-N 0 3 396.488 0.252 20 0 GCADHN COc1nccc(CN[C@@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)n1 ZINC001086699004 1205658819 /nfs/dbraw/zinc/65/88/19/1205658819.db2.gz NKOLPVUFUATHFI-HLPPOEQASA-N 0 3 375.473 0.774 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1COc2ccccc2[C@@H]1O ZINC000812022156 1205660418 /nfs/dbraw/zinc/66/04/18/1205660418.db2.gz IQZYKLXMKNJVFK-RYRKJORJSA-N 0 3 390.484 0.723 20 0 GCADHN CC(C)(CO)N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000747840113 1205673383 /nfs/dbraw/zinc/67/33/83/1205673383.db2.gz JYAAWTKNAAJXBB-UHFFFAOYSA-N 0 3 395.504 0.051 20 0 GCADHN COc1ccc(CN(C)C(=O)CNCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC001134117211 1205687857 /nfs/dbraw/zinc/68/78/57/1205687857.db2.gz JFONGLUWZOKUPU-KURKYZTESA-N 0 3 375.469 0.927 20 0 GCADHN CC1(C)CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CCN1 ZINC000747921197 1205688319 /nfs/dbraw/zinc/68/83/19/1205688319.db2.gz QFODHIBQGDFXGE-HNNXBMFYSA-N 0 3 376.457 0.757 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCc3c(nnn3-c3ccccc3)C1)C2=O ZINC000814222955 1205688456 /nfs/dbraw/zinc/68/84/56/1205688456.db2.gz YAQFRRIDPYRDTH-UHFFFAOYSA-N 0 3 395.467 0.599 20 0 GCADHN CN(Cc1ccccc1S(N)(=O)=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000814296630 1205689705 /nfs/dbraw/zinc/68/97/05/1205689705.db2.gz ILPYGSVSAKNNKV-GJZGRUSLSA-N 0 3 382.486 0.339 20 0 GCADHN COC(=O)C1=C(C)O[C@@H](CN(C)CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000814648080 1205694939 /nfs/dbraw/zinc/69/49/39/1205694939.db2.gz KVWYRPGNGMKEKC-CQSZACIVSA-N 0 3 384.454 0.881 20 0 GCADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCC([C@H]3COC(=O)N3)CC2)cn1 ZINC001134600731 1205695441 /nfs/dbraw/zinc/69/54/41/1205695441.db2.gz BTUIIFQEWRFJJP-GVDBMIGSSA-N 0 3 375.473 0.802 20 0 GCADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCC3(CCNC(=O)O3)CC2)cn1 ZINC001134598286 1205695489 /nfs/dbraw/zinc/69/54/89/1205695489.db2.gz FDCOXPCMOYOBML-HOTGVXAUSA-N 0 3 375.473 0.947 20 0 GCADHN CC(C)(O)CN1CC[C@H](NC(=O)C2(CC(=O)N3CCOCC3)CCCC2)C1 ZINC001170777595 1205698199 /nfs/dbraw/zinc/69/81/99/1205698199.db2.gz QMYIBEOIRCXFCK-INIZCTEOSA-N 0 3 381.517 0.757 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CN[C@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000815290963 1205702322 /nfs/dbraw/zinc/70/23/22/1205702322.db2.gz ZBVHROSQPMBFQS-MJGOQNOKSA-N 0 3 383.489 0.633 20 0 GCADHN CNC(=O)Oc1cccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000815573962 1205707028 /nfs/dbraw/zinc/70/70/28/1205707028.db2.gz YZWJKTIYEOESKM-AWEZNQCLSA-N 0 3 391.472 0.486 20 0 GCADHN Cc1ccc(CC[C@@H](C)N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001171664215 1205708830 /nfs/dbraw/zinc/70/88/30/1205708830.db2.gz UJOWROPVNHSQIX-UGNAIYESSA-N 0 3 389.452 0.487 20 0 GCADHN C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001171942768 1205710672 /nfs/dbraw/zinc/71/06/72/1205710672.db2.gz LYKUIRCUMBJEAG-UGFHNGPFSA-N 0 3 396.875 0.084 20 0 GCADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H]1CCN(C2CC2)C(=O)C1)C(N)=O ZINC001172009130 1205711085 /nfs/dbraw/zinc/71/10/85/1205711085.db2.gz YTZIEWVKASFFQW-KBMXLJTQSA-N 0 3 398.573 0.867 20 0 GCADHN CN(C)C(=O)CN1CC[C@]2(CCCN([C@H]3CCN(C4CC4)C(=O)C3)C2)C1=O ZINC001172013017 1205711412 /nfs/dbraw/zinc/71/14/12/1205711412.db2.gz ILWUCTHPMZNQNT-JXFKEZNVSA-N 0 3 376.501 0.543 20 0 GCADHN CCN1CC[C@H](NCC(=O)NC[C@H](O)c2cc(OC)ccc2OC)CC1=O ZINC001172033725 1205712215 /nfs/dbraw/zinc/71/22/15/1205712215.db2.gz SJXJNMUNFJPJHY-BBRMVZONSA-N 0 3 379.457 0.454 20 0 GCADHN CCN1CC[C@@H](N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)CC1=O ZINC001172045247 1205712397 /nfs/dbraw/zinc/71/23/97/1205712397.db2.gz WNWCHBSNICJIJI-OAHLLOKOSA-N 0 3 399.499 0.416 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n(-c2ccc(C)nn2)n1 ZINC000773342600 1205713196 /nfs/dbraw/zinc/71/31/96/1205713196.db2.gz VYYDTPNEWJQWMF-CABCVRRESA-N 0 3 399.455 0.197 20 0 GCADHN O=C([C@H]1Cn2nccc2CN([C@H]2CCN3C(=O)CC[C@H]3C2)C1)N1CCOCC1 ZINC001172173662 1205713761 /nfs/dbraw/zinc/71/37/61/1205713761.db2.gz LGHMSAGTEUPQSG-IKGGRYGDSA-N 0 3 387.484 0.327 20 0 GCADHN COCCNC(=O)[C@H]1Cn2nccc2CN([C@H]2CCN3C(=O)CC[C@H]3C2)C1 ZINC001172173057 1205713896 /nfs/dbraw/zinc/71/38/96/1205713896.db2.gz RDIAFCNTSDYZSH-PMPSAXMXSA-N 0 3 375.473 0.231 20 0 GCADHN CN(C)C(=O)COCc1ncn2c1CN([C@@H]1CCN3C(=O)CC[C@H]3C1)CCC2 ZINC001172177019 1205714149 /nfs/dbraw/zinc/71/41/49/1205714149.db2.gz ZOFJZZYONHKVSD-CVEARBPZSA-N 0 3 389.500 0.847 20 0 GCADHN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2[C@@H]1CCN2C(=O)CC[C@@H]2C1)c1ccnnc1 ZINC001172176897 1205714176 /nfs/dbraw/zinc/71/41/76/1205714176.db2.gz ZDWDDVSOBQWBAC-ZQAQGDRJSA-N 0 3 399.495 0.839 20 0 GCADHN CN(C)C(=O)COC[C@H]1Cn2nccc2CN([C@@H]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001172176356 1205714252 /nfs/dbraw/zinc/71/42/52/1205714252.db2.gz ZSUOBLRQWUDODS-BRWVUGGUSA-N 0 3 389.500 0.573 20 0 GCADHN COC(=O)[C@H]1C[C@H](N[C@@H]2CCC(=O)NC2=O)C[C@H]1C(=O)OCc1ccccc1 ZINC001172272781 1205714828 /nfs/dbraw/zinc/71/48/28/1205714828.db2.gz QPJBOLJKRPMCKX-CAOSSQGBSA-N 0 3 388.420 0.692 20 0 GCADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN([C@H]2COC(C)(C)C2)CC3)C1=O ZINC001172286086 1205715507 /nfs/dbraw/zinc/71/55/07/1205715507.db2.gz XELMKAYDKKDVNB-DNVCBOLYSA-N 0 3 399.557 0.760 20 0 GCADHN C[C@H](CCc1c(F)cc(Cl)cc1F)NCC(=O)NCC(=O)NCC(N)=O ZINC001172569036 1205716088 /nfs/dbraw/zinc/71/60/88/1205716088.db2.gz CNCLKUJJXSYSFH-SECBINFHSA-N 0 3 390.818 0.247 20 0 GCADHN COC(=O)[C@H]1CCC[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)C1 ZINC001172610878 1205716431 /nfs/dbraw/zinc/71/64/31/1205716431.db2.gz LEHAHFFZQZYYIO-DZKIICNBSA-N 0 3 377.441 0.226 20 0 GCADHN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC[C@H]2CNC(=O)CO2)CN1C(=O)OC(C)(C)C ZINC001172696653 1205716786 /nfs/dbraw/zinc/71/67/86/1205716786.db2.gz SCISPAZQKXLZAQ-RDBSUJKOSA-N 0 3 399.488 0.811 20 0 GCADHN COC(=O)N1CCC(N2Cc3nccn3C[C@H](CN3CCN(C)CC3)C2)CC1 ZINC001172738871 1205717030 /nfs/dbraw/zinc/71/70/30/1205717030.db2.gz TXFVHZFXTOVNJY-KRWDZBQOSA-N 0 3 390.532 0.793 20 0 GCADHN C[C@@H](Cc1ccc(F)cc1Cl)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001172860360 1205717561 /nfs/dbraw/zinc/71/75/61/1205717561.db2.gz CQMQHSLIAGWXGE-NHYWBVRUSA-N 0 3 398.866 0.592 20 0 GCADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H](C)Cc1c(F)cccc1Cl ZINC001172852498 1205717705 /nfs/dbraw/zinc/71/77/05/1205717705.db2.gz STJGQFMDKLHWMA-NSHDSACASA-N 0 3 387.839 0.795 20 0 GCADHN Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@@H]2CCOC2)n(C)c1=O ZINC001110167280 1205718025 /nfs/dbraw/zinc/71/80/25/1205718025.db2.gz ZYAMSNPOBJOUFP-WCVJEAGWSA-N 0 3 378.473 0.255 20 0 GCADHN COc1ccc(CN2CC[C@@H](NCCS(=O)(=O)N(C)C)CC2=O)c(OC)c1 ZINC001173020904 1205718402 /nfs/dbraw/zinc/71/84/02/1205718402.db2.gz QICZFWCALXKTOL-OAHLLOKOSA-N 0 3 399.513 0.676 20 0 GCADHN COC(=O)CNC(=O)CN[C@@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173035484 1205718495 /nfs/dbraw/zinc/71/84/95/1205718495.db2.gz KSRJKMVTXRUELF-CQSZACIVSA-N 0 3 393.440 0.074 20 0 GCADHN COc1ccc(CN2CC[C@@H](NCC(=O)N3CCOCC3)CC2=O)c(OC)c1 ZINC001173022939 1205718517 /nfs/dbraw/zinc/71/85/17/1205718517.db2.gz AYDZOSCNORPKSE-MRXNPFEDSA-N 0 3 391.468 0.643 20 0 GCADHN CCN1CC[C@H](NCC(=O)NCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)C1 ZINC001173358298 1205719828 /nfs/dbraw/zinc/71/98/28/1205719828.db2.gz ZIZCGJOIYMHYFZ-HNNXBMFYSA-N 0 3 386.452 0.840 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N[C@H]2CCS(=O)(=O)C2)CCN1C(=O)c1ccccc1 ZINC001173483790 1205721030 /nfs/dbraw/zinc/72/10/30/1205721030.db2.gz ITVHPEMDOHIUFQ-PMPSAXMXSA-N 0 3 380.466 0.610 20 0 GCADHN COC(=O)CN1CCN(C2CCN(CC(=O)OCc3ccccc3)CC2)CC1 ZINC001173471334 1205721083 /nfs/dbraw/zinc/72/10/83/1205721083.db2.gz PYBGGUNFOBBXQZ-UHFFFAOYSA-N 0 3 389.496 0.985 20 0 GCADHN COC(=O)CCC(=O)CN[C@@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173500350 1205721493 /nfs/dbraw/zinc/72/14/93/1205721493.db2.gz GNCSRAYSMHRYIC-WBVHZDCISA-N 0 3 390.436 0.945 20 0 GCADHN COC(=O)[C@H]1C[C@H](N[C@]2(C)CCS(=O)(=O)C2)CCN1C(=O)c1ccccc1 ZINC001173497247 1205721579 /nfs/dbraw/zinc/72/15/79/1205721579.db2.gz RUBRGQVLRLTMMS-GPMSIDNRSA-N 0 3 394.493 1.000 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]([NH2+]CCCc2c[n-][nH]c2=O)CCN1C(=O)c1ccccc1 ZINC001173489187 1205722420 /nfs/dbraw/zinc/72/24/20/1205722420.db2.gz VCFLGPZPYCXZHD-IKGGRYGDSA-N 0 3 386.452 0.934 20 0 GCADHN COC(=O)[C@H]1C[C@@H](NC2(C(N)=O)CCOCC2)CCN1C(=O)c1ccccc1 ZINC001173514802 1205722810 /nfs/dbraw/zinc/72/28/10/1205722810.db2.gz IVELEXTVISUGHW-JKSUJKDBSA-N 0 3 389.452 0.457 20 0 GCADHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173751910 1205727131 /nfs/dbraw/zinc/72/71/31/1205727131.db2.gz XLQMAOXPJCCYQD-KBPBESRZSA-N 0 3 394.505 0.308 20 0 GCADHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173752249 1205727303 /nfs/dbraw/zinc/72/73/03/1205727303.db2.gz KTZCIBUWGDSFDU-QYXWGXCQSA-N 0 3 378.477 0.493 20 0 GCADHN CN1CCN(C[C@H]2Cn3ccnc3CN([C@H]3CCC[C@@H](n4ncnn4)C3)C2)CC1 ZINC001173760105 1205727977 /nfs/dbraw/zinc/72/79/77/1205727977.db2.gz IBYVOYJGBCCNNF-GBESFXJTSA-N 0 3 399.547 0.733 20 0 GCADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN([C@H]1CCC[C@@H](n3ncnn3)C1)C2 ZINC001173757728 1205728026 /nfs/dbraw/zinc/72/80/26/1205728026.db2.gz AVPPECXXUQVAEQ-SCTDSRPQSA-N 0 3 392.504 0.743 20 0 GCADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)Nc2csc(S(N)(=O)=O)c2)cn1 ZINC001174715874 1205731851 /nfs/dbraw/zinc/73/18/51/1205731851.db2.gz AFKKAJPRLYHYAH-QWHCGFSZSA-N 0 3 383.499 0.803 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@]23CCN(C2)CCC3)[C@H](C)O)cc1 ZINC001175055630 1205734898 /nfs/dbraw/zinc/73/48/98/1205734898.db2.gz RJEOJCGOVVRQSZ-ZVZYQTTQSA-N 0 3 381.498 0.377 20 0 GCADHN O=C(CN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)N1CCN(c2cnccn2)CC1 ZINC001175261002 1205736943 /nfs/dbraw/zinc/73/69/43/1205736943.db2.gz XXGRWQWBBNUJDZ-BEFAXECRSA-N 0 3 384.440 0.346 20 0 GCADHN CC(C)(C)OC(=O)N(CCCNC1(C(N)=O)CCS(=O)(=O)CC1)C1CC1 ZINC001175541291 1205738625 /nfs/dbraw/zinc/73/86/25/1205738625.db2.gz AFEFFORMRYOLOI-UHFFFAOYSA-N 0 3 389.518 0.798 20 0 GCADHN COc1cc(Br)c(N)c(C(=O)NCCN(C)CCOCCO)c1 ZINC001175823010 1205741738 /nfs/dbraw/zinc/74/17/38/1205741738.db2.gz RZILZPORQAFCHT-UHFFFAOYSA-N 0 3 390.278 0.710 20 0 GCADHN CN(CCNC(=O)C12CCC(CC1)N2C(=O)OC(C)(C)C)CCOCCO ZINC001175822001 1205741804 /nfs/dbraw/zinc/74/18/04/1205741804.db2.gz JGUOBHODZHOKLZ-UHFFFAOYSA-N 0 3 385.505 0.975 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCN(C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001175955188 1205743066 /nfs/dbraw/zinc/74/30/66/1205743066.db2.gz IRLIVVMDLLPVRF-DZGCQCFKSA-N 0 3 397.497 0.182 20 0 GCADHN CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC1CCN(CC(=O)C(C)(C)C)CC1 ZINC001176384762 1205746288 /nfs/dbraw/zinc/74/62/88/1205746288.db2.gz DVQQRJUUHSKNFK-MRXNPFEDSA-N 0 3 377.489 0.653 20 0 GCADHN CN1CCN(c2ccc(Nc3cc(N4CCN(CCO)CC4)ncn3)cn2)CC1 ZINC001176654891 1205752159 /nfs/dbraw/zinc/75/21/59/1205752159.db2.gz WGKBOTXSTRWVHZ-UHFFFAOYSA-N 0 3 398.515 0.481 20 0 GCADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)Cc1c[nH]cn1)C2 ZINC001176829052 1205755644 /nfs/dbraw/zinc/75/56/44/1205755644.db2.gz KWMGOPRAJSCGBM-HNNXBMFYSA-N 0 3 388.472 0.161 20 0 GCADHN O=C(Cc1c[nH]cn1)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001176831778 1205756015 /nfs/dbraw/zinc/75/60/15/1205756015.db2.gz XOHYXARIEZSFFI-CEXWTWQISA-N 0 3 397.479 0.960 20 0 GCADHN O=C(Cc1ncc(F)cn1)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001177400976 1205769359 /nfs/dbraw/zinc/76/93/59/1205769359.db2.gz NGGIOODLHCAQID-UHFFFAOYSA-N 0 3 382.403 0.871 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)[C@H](Cn1cccn1)NC(=O)OC(C)(C)C ZINC001177704820 1205774812 /nfs/dbraw/zinc/77/48/12/1205774812.db2.gz YSYKUNZXNOKGGE-CABCVRRESA-N 0 3 381.477 0.565 20 0 GCADHN CN1C[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C(C)(C)C1 ZINC001178708672 1205792753 /nfs/dbraw/zinc/79/27/53/1205792753.db2.gz GQZOLHBITMMUKD-KRWDZBQOSA-N 0 3 395.525 0.902 20 0 GCADHN CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCS(N)(=O)=O)C2 ZINC001110223624 1205792956 /nfs/dbraw/zinc/79/29/56/1205792956.db2.gz XGNROUIFBPRSPO-PMPSAXMXSA-N 0 3 375.535 0.982 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001178850722 1205795826 /nfs/dbraw/zinc/79/58/26/1205795826.db2.gz ZNIGZTIEOXCKGL-KXBFYZLASA-N 0 3 385.505 0.928 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001178850717 1205795839 /nfs/dbraw/zinc/79/58/39/1205795839.db2.gz ZNIGZTIEOXCKGL-BEFAXECRSA-N 0 3 385.505 0.928 20 0 GCADHN CCN1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C(C)(C)C1 ZINC001178861071 1205796332 /nfs/dbraw/zinc/79/63/32/1205796332.db2.gz RCQRDIZDEXWXNP-IUODEOHRSA-N 0 3 396.513 0.299 20 0 GCADHN O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008401 1205799094 /nfs/dbraw/zinc/79/90/94/1205799094.db2.gz JYUOKYCEIMSVNJ-GFCCVEGCSA-N 0 3 387.889 0.598 20 0 GCADHN O=C(c1cc(S(=O)(=O)N2CCC2)ccc1Cl)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008490 1205799188 /nfs/dbraw/zinc/79/91/88/1205799188.db2.gz LRRNOVAFWDUXAE-GFCCVEGCSA-N 0 3 399.900 0.937 20 0 GCADHN O=C([C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N1CC(N[C@H]2CCOC2)C1 ZINC001179008575 1205799366 /nfs/dbraw/zinc/79/93/66/1205799366.db2.gz NGYQSMDPQJXINH-WBVHZDCISA-N 0 3 375.444 0.806 20 0 GCADHN O=C([C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N1CC(N[C@H]2CCOC2)C1 ZINC001179008574 1205799475 /nfs/dbraw/zinc/79/94/75/1205799475.db2.gz NGYQSMDPQJXINH-RDJZCZTQSA-N 0 3 375.444 0.806 20 0 GCADHN CC(=O)N1CCC([NH+]2CCC(C(=O)NCCCc3c[n-][nH]c3=O)CC2)CC1 ZINC001179014706 1205799623 /nfs/dbraw/zinc/79/96/23/1205799623.db2.gz LNWRSYPLRBAOTB-MRXNPFEDSA-N 0 3 377.489 0.338 20 0 GCADHN CN1CCC[C@](C)(NC(=O)[C@@H]2NC(=O)CC23CN(C(=O)OC(C)(C)C)C3)C1 ZINC001179225106 1205806404 /nfs/dbraw/zinc/80/64/04/1205806404.db2.gz UISHMHZJFOXYHO-KSSFIOAISA-N 0 3 380.489 0.713 20 0 GCADHN CN1CCC(CO)(NC(=O)[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O2)CC1 ZINC001179473812 1205810787 /nfs/dbraw/zinc/81/07/87/1205810787.db2.gz RKSWAYSNNYMQTB-HRCADAONSA-N 0 3 397.516 0.974 20 0 GCADHN CC(C)N1CCN(CC(=O)NCCN(C)CCNC(=O)OC(C)(C)C)CC1 ZINC001180350626 1205822179 /nfs/dbraw/zinc/82/21/79/1205822179.db2.gz BIMKYILIZUCDET-UHFFFAOYSA-N 0 3 385.553 0.585 20 0 GCADHN CCN(CC)CC(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1 ZINC001180388474 1205823362 /nfs/dbraw/zinc/82/33/62/1205823362.db2.gz NFAOOXRLMPAZHT-UHFFFAOYSA-N 0 3 387.488 0.273 20 0 GCADHN CN1N=C(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)CCC1=O ZINC001180443576 1205824304 /nfs/dbraw/zinc/82/43/04/1205824304.db2.gz WYDQSLKQTXPVAI-UHFFFAOYSA-N 0 3 382.428 0.308 20 0 GCADHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001180409001 1205824785 /nfs/dbraw/zinc/82/47/85/1205824785.db2.gz YPWWKMCAQSASQQ-IXDOHACOSA-N 0 3 386.452 0.536 20 0 GCADHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001180409001 1205824787 /nfs/dbraw/zinc/82/47/87/1205824787.db2.gz YPWWKMCAQSASQQ-IXDOHACOSA-N 0 3 386.452 0.536 20 0 GCADHN C[C@H](C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1)N1CCCC1 ZINC001180579596 1205826051 /nfs/dbraw/zinc/82/60/51/1205826051.db2.gz OFCFKUITQUBHSC-OAHLLOKOSA-N 0 3 384.484 0.978 20 0 GCADHN CC(C)C(=O)N1CCN(C(=O)[C@H](C)N2CCCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001180579884 1205826067 /nfs/dbraw/zinc/82/60/67/1205826067.db2.gz POYSKXXZORARJK-OXJNMPFZSA-N 0 3 378.517 0.836 20 0 GCADHN C[C@@H](C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1)N1CCCC1 ZINC001180577777 1205826088 /nfs/dbraw/zinc/82/60/88/1205826088.db2.gz DCYNTQQWKZKOQG-IRXDYDNUSA-N 0 3 379.501 0.727 20 0 GCADHN C[C@H](C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21)N1CCCC1 ZINC001180576901 1205826159 /nfs/dbraw/zinc/82/61/59/1205826159.db2.gz BAAQKXXXMJQAIL-XYVMCAHJSA-N 0 3 387.484 0.697 20 0 GCADHN C[C@H](C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1)N1CCCC1 ZINC001180578576 1205826178 /nfs/dbraw/zinc/82/61/78/1205826178.db2.gz GNZIUOCFEHXZOU-HLIPFELVSA-N 0 3 379.501 0.870 20 0 GCADHN C[C@@H](C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1)N1CCCC1 ZINC001180577768 1205826231 /nfs/dbraw/zinc/82/62/31/1205826231.db2.gz DCYNTQQWKZKOQG-DLBZAZTESA-N 0 3 379.501 0.727 20 0 GCADHN C[C@@H](C(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1)N1CCCC1 ZINC001180578006 1205826245 /nfs/dbraw/zinc/82/62/45/1205826245.db2.gz GIYQCOAKNYJVQL-HNNXBMFYSA-N 0 3 399.499 0.416 20 0 GCADHN C[C@H](C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)N1CCCC1 ZINC001180578898 1205826322 /nfs/dbraw/zinc/82/63/22/1205826322.db2.gz LFGAGQGVARAMIX-VQIMIIECSA-N 0 3 375.473 0.395 20 0 GCADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CN(C)C2CCCC2)C1 ZINC001180626099 1205827678 /nfs/dbraw/zinc/82/76/78/1205827678.db2.gz DNJUENXKBOULBF-HNNXBMFYSA-N 0 3 377.489 0.479 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001180686787 1205830250 /nfs/dbraw/zinc/83/02/50/1205830250.db2.gz NOEMJHLRRQZNSR-KRWDZBQOSA-N 0 3 378.517 0.838 20 0 GCADHN CN1CCC(CO)(NC(=O)COCCOCCNC(=O)OC(C)(C)C)CC1 ZINC001181149138 1205839992 /nfs/dbraw/zinc/83/99/92/1205839992.db2.gz OIUAGHIVMXGAHR-UHFFFAOYSA-N 0 3 389.493 0.117 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1cccs1 ZINC001110244954 1205843895 /nfs/dbraw/zinc/84/38/95/1205843895.db2.gz VWVYHKPTCHAPQQ-WTTBNOFXSA-N 0 3 381.498 0.483 20 0 GCADHN CCOC(=O)C1(C(=O)N2CCOC[C@H]2CN(C)C)CN(C(=O)OC(C)(C)C)C1 ZINC001181575099 1205846934 /nfs/dbraw/zinc/84/69/34/1205846934.db2.gz FPOFPHHRSGPDCK-CQSZACIVSA-N 0 3 399.488 0.576 20 0 GCADHN CN(C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CN(Cc2ccccc2)CC1=O ZINC001181564141 1205847624 /nfs/dbraw/zinc/84/76/24/1205847624.db2.gz FBJLKTHISACYKF-SLFFLAALSA-N 0 3 384.524 0.924 20 0 GCADHN CN1CCC(O)(C(=O)N2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)CC1 ZINC001182030448 1205853493 /nfs/dbraw/zinc/85/34/93/1205853493.db2.gz BWSFAPSMPOMKCK-IEBWSBKVSA-N 0 3 375.469 0.530 20 0 GCADHN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(=O)C2(O)CCN(C)CC2)C1 ZINC001182031050 1205853556 /nfs/dbraw/zinc/85/35/56/1205853556.db2.gz JWUOJMJNFHEYDF-IBGZPJMESA-N 0 3 389.500 0.308 20 0 GCADHN CN1CCC(O)(C(=O)N2Cc3cncn3C[C@H](COc3cccnc3)C2)CC1 ZINC001182030479 1205853559 /nfs/dbraw/zinc/85/35/59/1205853559.db2.gz DERXJQAJPIJGJG-MRXNPFEDSA-N 0 3 385.468 0.772 20 0 GCADHN COc1ccc(N)c(N(C(=O)C2(O)CCN(C)CC2)C2COC(C)(C)OC2)n1 ZINC001182028417 1205853754 /nfs/dbraw/zinc/85/37/54/1205853754.db2.gz QMYSFZYRFVRGJY-UHFFFAOYSA-N 0 3 394.472 0.614 20 0 GCADHN CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1(O)CCN(C)CC1 ZINC001182031081 1205853894 /nfs/dbraw/zinc/85/38/94/1205853894.db2.gz LIVAXXVKQFMNPS-CQSZACIVSA-N 0 3 399.488 0.454 20 0 GCADHN CN1CCC(O)(C(=O)N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)CC1 ZINC001182032035 1205854087 /nfs/dbraw/zinc/85/40/87/1205854087.db2.gz RMMVWMBJNSLKEB-GOSISDBHSA-N 0 3 375.473 0.131 20 0 GCADHN CN1CCC(O)(C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)CC1 ZINC001182036330 1205854205 /nfs/dbraw/zinc/85/42/05/1205854205.db2.gz POXJNRPTWQJSLE-UHFFFAOYSA-N 0 3 389.493 0.117 20 0 GCADHN CN1CCC(O)(C(=O)N[C@@H]2CCc3c(ccc(=O)n3CCn3cccn3)C2)CC1 ZINC001182034743 1205854349 /nfs/dbraw/zinc/85/43/49/1205854349.db2.gz ZJFJZFVPRTUIHE-QGZVFWFLSA-N 0 3 399.495 0.175 20 0 GCADHN CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CSCC(=O)N1 ZINC001273474461 1205862531 /nfs/dbraw/zinc/86/25/31/1205862531.db2.gz POEFFZAILHGEML-DKUMPPAJSA-N 0 3 377.514 0.746 20 0 GCADHN C[S@](=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1F ZINC000774253933 1205867178 /nfs/dbraw/zinc/86/71/78/1205867178.db2.gz QWMBQMOLWCXMMX-VXLFJPSPSA-N 0 3 383.445 0.481 20 0 GCADHN NC[C@H](NC(=O)[C@@H]1C[C@H]1C(N)=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001182393966 1205868419 /nfs/dbraw/zinc/86/84/19/1205868419.db2.gz XXTLWLFHWOOWCJ-LMMKCTJWSA-N 0 3 393.443 0.907 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC4(C3)OCCO4)cc2)CC1 ZINC000774384677 1205870600 /nfs/dbraw/zinc/87/06/00/1205870600.db2.gz RQKYBBNFIPURTF-UHFFFAOYSA-N 0 3 388.468 0.742 20 0 GCADHN O=C([C@H]1CSCC(=O)N1)N1CCC2(CCCN(Cc3cn[nH]c3)C2)CC1 ZINC001273475341 1205874864 /nfs/dbraw/zinc/87/48/64/1205874864.db2.gz YVHRHQVXKWBWRA-OAHLLOKOSA-N 0 3 377.514 0.846 20 0 GCADHN CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N2CCN3CCC2CC3)c(=O)[nH]1 ZINC001182831337 1205880940 /nfs/dbraw/zinc/88/09/40/1205880940.db2.gz SXGUPICBYIDUQM-UHFFFAOYSA-N 0 3 387.444 0.433 20 0 GCADHN CN1CCC(CO)(NC(=O)CC[C@H]2NC(=S)N(c3ccccc3)C2=O)CC1 ZINC001182857182 1205881796 /nfs/dbraw/zinc/88/17/96/1205881796.db2.gz UHQJJUOMXMMADU-OAHLLOKOSA-N 0 3 390.509 0.629 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCOC[C@@H]1CN(C)C ZINC001182868623 1205882120 /nfs/dbraw/zinc/88/21/20/1205882120.db2.gz ANDDQTHBPYULJA-JSGCOSHPSA-N 0 3 389.905 0.796 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)CNC(=O)c1ccc(O)cc1)CC2 ZINC001182971307 1205884275 /nfs/dbraw/zinc/88/42/75/1205884275.db2.gz KFQHMDQECJWGDM-UHFFFAOYSA-N 0 3 388.468 0.325 20 0 GCADHN CN(C[C@H](O)CO)C(=O)C1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183130803 1205887005 /nfs/dbraw/zinc/88/70/05/1205887005.db2.gz ACWYWHWDXMIOQU-CVEARBPZSA-N 0 3 385.505 0.519 20 0 GCADHN C[C@@H](O)[C@@H](CO)NC(=O)C1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183130899 1205887056 /nfs/dbraw/zinc/88/70/56/1205887056.db2.gz AEHLNRNMVAFEMZ-FVQBIDKESA-N 0 3 385.505 0.566 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CCCCCCC2)CC1 ZINC000774581488 1205888002 /nfs/dbraw/zinc/88/80/02/1205888002.db2.gz CBFQJQZSYODRDG-UHFFFAOYSA-N 0 3 378.517 0.982 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)NC3(CCO)COC3)CC2)C1 ZINC001183158370 1205888897 /nfs/dbraw/zinc/88/88/97/1205888897.db2.gz QDMQWASOXPIIIN-INIZCTEOSA-N 0 3 397.516 0.975 20 0 GCADHN CC(C)[C@H](C(=O)N1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2)N(C)C ZINC001183359975 1205891377 /nfs/dbraw/zinc/89/13/77/1205891377.db2.gz LNOCMGQUABQVFU-BEFAXECRSA-N 0 3 382.505 0.911 20 0 GCADHN CC(C)[C@H](C(=O)N1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1)N(C)C ZINC001183361857 1205891465 /nfs/dbraw/zinc/89/14/65/1205891465.db2.gz BPRNTQZAWGWJGP-LJQANCHMSA-N 0 3 376.501 0.450 20 0 GCADHN CC(C)[C@H](C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1)N(C)C ZINC001183362920 1205891475 /nfs/dbraw/zinc/89/14/75/1205891475.db2.gz PSFNNWLXCWUBBG-MAUKXSAKSA-N 0 3 399.499 0.648 20 0 GCADHN C[C@]1(O)C=C[C@H](O)C(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)=C1 ZINC001183543805 1205894641 /nfs/dbraw/zinc/89/46/41/1205894641.db2.gz JLFSDYFICSJRPA-PXNSSMCTSA-N 0 3 377.485 0.188 20 0 GCADHN COc1ccnc(N(C(=O)Cn2cc(F)c(=O)[n-]c2=O)C2CC[NH2+]CC2)c1 ZINC001183659613 1205898310 /nfs/dbraw/zinc/89/83/10/1205898310.db2.gz CKSAPHQHXORRSZ-UHFFFAOYSA-N 0 3 377.376 0.277 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000774667489 1205898693 /nfs/dbraw/zinc/89/86/93/1205898693.db2.gz GQDAMHNUBROUKF-LSDHHAIUSA-N 0 3 377.441 0.299 20 0 GCADHN CN1CCC(N(Cc2ccc(F)cc2)C(=O)C[C@@H]2NC(=O)CNC2=O)CC1 ZINC001183727866 1205899579 /nfs/dbraw/zinc/89/95/79/1205899579.db2.gz BTDCKBUSLZYVGN-INIZCTEOSA-N 0 3 376.432 0.253 20 0 GCADHN COc1ccccc1CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184424394 1205910536 /nfs/dbraw/zinc/91/05/36/1205910536.db2.gz MHQAXCZUWYNAPP-ZDCWYSAZSA-N 0 3 399.491 0.925 20 0 GCADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)NC1CCCCC1 ZINC001184483672 1205911191 /nfs/dbraw/zinc/91/11/91/1205911191.db2.gz PTCRSCSYZPMELC-LKCYJCQHSA-N 0 3 379.501 0.677 20 0 GCADHN COc1ccccc1OCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000774816097 1205916245 /nfs/dbraw/zinc/91/62/45/1205916245.db2.gz NUNJIECQBQVYNN-HUUCEWRRSA-N 0 3 377.441 0.170 20 0 GCADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3cnc(C4CC4)o3)CC2)C1=O ZINC001185198917 1205917789 /nfs/dbraw/zinc/91/77/89/1205917789.db2.gz LSONEYBAPDYVQO-UHFFFAOYSA-N 0 3 389.500 0.862 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1cccs1 ZINC000774853020 1205921022 /nfs/dbraw/zinc/92/10/22/1205921022.db2.gz GILADBXISDJWCS-QLFBSQMISA-N 0 3 380.514 0.446 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H]2OCCN(C(=O)NCC(F)(F)F)[C@H]2C1)N1CCCC1 ZINC001273504246 1205922714 /nfs/dbraw/zinc/92/27/14/1205922714.db2.gz DICQNPQQKIXDPC-AVGNSLFASA-N 0 3 378.395 0.654 20 0 GCADHN C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cn(C)cn1)N1CCCC1 ZINC001273504453 1205922721 /nfs/dbraw/zinc/92/27/21/1205922721.db2.gz GPRNKHOQCFMHHN-KFWWJZLASA-N 0 3 381.502 0.268 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@]2(CCCN(S(=O)(=O)N(C)C)C2)C1)N1CCCC1 ZINC001273505004 1205924580 /nfs/dbraw/zinc/92/45/80/1205924580.db2.gz QTTHLPHBIIEXOV-SJLPKXTDSA-N 0 3 386.562 0.982 20 0 GCADHN CN(C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)c1ccc(Cl)nc1)CCC2 ZINC001185665612 1205927703 /nfs/dbraw/zinc/92/77/03/1205927703.db2.gz IVWVQYFXGVLKEA-UHFFFAOYSA-N 0 3 397.888 0.948 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1)C1=COCCC1 ZINC001110367794 1205928488 /nfs/dbraw/zinc/92/84/88/1205928488.db2.gz XAYNYGUYRFWBDN-JFRXWTBNSA-N 0 3 380.485 0.959 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCC(C2OCCO2)CC1)Cc1ccccc1 ZINC000774924894 1205928563 /nfs/dbraw/zinc/92/85/63/1205928563.db2.gz RMPIBURFYLZCEL-GOSISDBHSA-N 0 3 389.496 0.887 20 0 GCADHN CCOC(=O)N1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000774925665 1205928636 /nfs/dbraw/zinc/92/86/36/1205928636.db2.gz VJOBJQRLDWASEB-KRWDZBQOSA-N 0 3 390.484 0.576 20 0 GCADHN COC(=O)[C@H]1CCN(CC(=O)N2CCc3c(CN(C)C(C)C)n[nH]c3C2)C1 ZINC001186100896 1205934757 /nfs/dbraw/zinc/93/47/57/1205934757.db2.gz MGDFOTAPQGOPIQ-AWEZNQCLSA-N 0 3 377.489 0.630 20 0 GCADHN COC(=O)[C@H]1CCN(CC(=O)N2CCc3c(CN(C)C(C)C)[nH]nc3C2)C1 ZINC001186100896 1205934758 /nfs/dbraw/zinc/93/47/58/1205934758.db2.gz MGDFOTAPQGOPIQ-AWEZNQCLSA-N 0 3 377.489 0.630 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001186277820 1205937130 /nfs/dbraw/zinc/93/71/30/1205937130.db2.gz HRRCNBTXQSENHJ-HUUCEWRRSA-N 0 3 397.497 0.333 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1F ZINC001186277089 1205937285 /nfs/dbraw/zinc/93/72/85/1205937285.db2.gz BBDWMWQZUCPPPM-CYBMUJFWSA-N 0 3 385.461 0.894 20 0 GCADHN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)N1CCN2CCC1CC2 ZINC001186699075 1205945537 /nfs/dbraw/zinc/94/55/37/1205945537.db2.gz XRUZJZOCNKPXDS-SFHVURJKSA-N 0 3 387.480 0.974 20 0 GCADHN CCOC(=O)CCNC(=O)N1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001187190394 1205956490 /nfs/dbraw/zinc/95/64/90/1205956490.db2.gz JIMQARGUKRJIKR-UHFFFAOYSA-N 0 3 378.473 0.473 20 0 GCADHN Nc1nc(N)nc(N2CCN(Cc3ccc(Br)cc3)C(=O)C2)n1 ZINC001187288210 1205958780 /nfs/dbraw/zinc/95/87/80/1205958780.db2.gz BFHGDRUTHZBZHK-UHFFFAOYSA-N 0 3 378.234 0.647 20 0 GCADHN CCOCCS(=O)(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001187267540 1205958866 /nfs/dbraw/zinc/95/88/66/1205958866.db2.gz YUXKYBIDXNNBTA-UHFFFAOYSA-N 0 3 384.502 0.411 20 0 GCADHN O=c1cc(CN2CCCC2)nc2n1CCCN(S(=O)(=O)c1c[nH]cn1)C2 ZINC001187746892 1205968577 /nfs/dbraw/zinc/96/85/77/1205968577.db2.gz DDUUYKUTXICNBM-UHFFFAOYSA-N 0 3 378.458 0.157 20 0 GCADHN COCCn1nccc1C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001187870231 1205971046 /nfs/dbraw/zinc/97/10/46/1205971046.db2.gz WSCDGEVAOFCYLF-UHFFFAOYSA-N 0 3 377.489 0.736 20 0 GCADHN CN(C)c1nccc(C(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)n1 ZINC001188011361 1205974279 /nfs/dbraw/zinc/97/42/79/1205974279.db2.gz VBTSHDWYFNJAOW-UHFFFAOYSA-N 0 3 382.468 0.793 20 0 GCADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1 ZINC001188390105 1205981491 /nfs/dbraw/zinc/98/14/91/1205981491.db2.gz RPPOCDUKUHLFCG-LJQANCHMSA-N 0 3 375.473 0.588 20 0 GCADHN COCCCN1CCC(NS(=O)(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC001188542952 1205986782 /nfs/dbraw/zinc/98/67/82/1205986782.db2.gz MUOBPOVISOWQAI-UHFFFAOYSA-N 0 3 398.529 0.697 20 0 GCADHN CCCCOCCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 ZINC001189118137 1205995838 /nfs/dbraw/zinc/99/58/38/1205995838.db2.gz RBBWNUWIECERGX-XWTMOSNGSA-N 0 3 381.517 0.972 20 0 GCADHN COc1cc(C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)nc(OC)n1 ZINC001189100960 1205996664 /nfs/dbraw/zinc/99/66/64/1205996664.db2.gz CHVIVTXUZNIXFL-UHFFFAOYSA-N 0 3 391.472 0.701 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(CCOCCOc3ccccc3)C[C@H]21 ZINC001189144019 1205998138 /nfs/dbraw/zinc/99/81/38/1205998138.db2.gz HAWLZLHAZGKNIX-WZGPROSRSA-N 0 3 387.480 0.736 20 0 GCADHN CC(=O)NCCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)[C@@H]2C1 ZINC001189187957 1205998928 /nfs/dbraw/zinc/99/89/28/1205998928.db2.gz YDKFJUZTKLAFGI-GDAAHCPNSA-N 0 3 389.500 0.209 20 0 GCADHN NS(=O)(=O)CCC(=O)N1CCC[C@@]2(CCN(Cc3cccc(=O)[nH]3)C2)C1 ZINC001273581133 1206006539 /nfs/dbraw/zinc/00/65/39/1206006539.db2.gz UGTQXNJPYPTNLH-KRWDZBQOSA-N 0 3 382.486 0.280 20 0 GCADHN Cn1c(=O)cc(C(=O)NCCN2CCC(Cc3ccccc3)CC2)n(C)c1=O ZINC001189437216 1206006603 /nfs/dbraw/zinc/00/66/03/1206006603.db2.gz MRSCYGAFWOBBHQ-UHFFFAOYSA-N 0 3 384.480 0.769 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000429489460 1206009957 /nfs/dbraw/zinc/00/99/57/1206009957.db2.gz LHSXIWAPZJYFIJ-HUUCEWRRSA-N 0 3 396.454 0.474 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000429489461 1206010194 /nfs/dbraw/zinc/01/01/94/1206010194.db2.gz LHSXIWAPZJYFIJ-LSDHHAIUSA-N 0 3 396.454 0.474 20 0 GCADHN COc1cc(S(N)(=O)=O)cc(C(=O)N2C[C@H]3CCCN(C)[C@@H]3C2)c1OC ZINC001189558815 1206010665 /nfs/dbraw/zinc/01/06/65/1206010665.db2.gz IBQVZDKECHJTAN-BXUZGUMPSA-N 0 3 383.470 0.517 20 0 GCADHN CCOC(=O)CNC(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001189885920 1206021653 /nfs/dbraw/zinc/02/16/53/1206021653.db2.gz IGSJJXSMLJXSFO-UHFFFAOYSA-N 0 3 377.445 0.318 20 0 GCADHN COCCN1CCOC[C@@]2(CCCN(C(=O)N[C@H](C(=O)OC)C(C)C)C2)C1 ZINC001190214954 1206030828 /nfs/dbraw/zinc/03/08/28/1206030828.db2.gz PSMWLTFJYCVVGP-LPHOPBHVSA-N 0 3 385.505 0.954 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CCN(CC(=O)OC)CC3)cc2)CC1 ZINC001190840402 1206047730 /nfs/dbraw/zinc/04/77/30/1206047730.db2.gz MHFZBFMCWGLPJP-UHFFFAOYSA-N 0 3 388.512 0.755 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000775435234 1206054952 /nfs/dbraw/zinc/05/49/52/1206054952.db2.gz VAFGHKJZVUJWSQ-CVEARBPZSA-N 0 3 399.536 0.557 20 0 GCADHN CS(=O)(=O)c1cc(C(F)(F)N2CCN3CCNC[C@@H]3C2)cnc1Cl ZINC001164400014 718844391 /nfs/dbraw/zinc/84/43/91/718844391.db2.gz NIFNNELSQBNJCN-LLVKDONJSA-N 0 3 380.848 0.777 20 0 GCADHN CN(Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2CNC3)nc1)C1CC1 ZINC001164817091 720246815 /nfs/dbraw/zinc/24/68/15/720246815.db2.gz OSZFFSPGFZHFFO-UHFFFAOYSA-N 0 3 382.468 0.937 20 0 GCADHN COC(=O)c1c[nH]c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164742607 720720108 /nfs/dbraw/zinc/72/01/08/720720108.db2.gz WACUZZSLRZWBLY-CHWSQXEVSA-N 0 3 395.423 0.876 20 0 GCADHN CON(C)C(=O)c1cccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744596 720736352 /nfs/dbraw/zinc/73/63/52/720736352.db2.gz RPJYXCCLIQMELS-CABCVRRESA-N 0 3 384.440 0.847 20 0 GCADHN CNS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164739418 720758296 /nfs/dbraw/zinc/75/82/96/720758296.db2.gz IOBQVAAMOFLKCJ-KGLIPLIRSA-N 0 3 390.469 0.122 20 0 GCADHN Cn1cc(CN2CC[C@H]3CN(c4cccc(S(N)(=O)=O)n4)C[C@@H]3C2)cn1 ZINC001164759724 721243521 /nfs/dbraw/zinc/24/35/21/721243521.db2.gz BCROHCDAGHEWOT-GJZGRUSLSA-N 0 3 376.486 0.421 20 0 GCADHN c1cncc(CN2CCOC[C@@]3(CN(c4ncc5c(n4)CCNC5)CCO3)C2)c1 ZINC001164912864 721773474 /nfs/dbraw/zinc/77/34/74/721773474.db2.gz RCHBRQHXFGOTAO-NRFANRHFSA-N 0 3 396.495 0.625 20 0 GCADHN Cn1nncc1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571258140 945346732 /nfs/dbraw/zinc/34/67/32/945346732.db2.gz NCIUQPDZGOGDOU-LBPRGKRZSA-N 0 3 385.407 0.529 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001571258532 945356607 /nfs/dbraw/zinc/35/66/07/945356607.db2.gz VGUBSTQDGFOXNF-LBPRGKRZSA-N 0 3 385.407 0.718 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001571258532 945356618 /nfs/dbraw/zinc/35/66/18/945356618.db2.gz VGUBSTQDGFOXNF-LBPRGKRZSA-N 0 3 385.407 0.718 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001571258532 945356630 /nfs/dbraw/zinc/35/66/30/945356630.db2.gz VGUBSTQDGFOXNF-LBPRGKRZSA-N 0 3 385.407 0.718 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001571258532 945356641 /nfs/dbraw/zinc/35/66/41/945356641.db2.gz VGUBSTQDGFOXNF-LBPRGKRZSA-N 0 3 385.407 0.718 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001571258531 945356741 /nfs/dbraw/zinc/35/67/41/945356741.db2.gz VGUBSTQDGFOXNF-GFCCVEGCSA-N 0 3 385.407 0.718 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001571258531 945356752 /nfs/dbraw/zinc/35/67/52/945356752.db2.gz VGUBSTQDGFOXNF-GFCCVEGCSA-N 0 3 385.407 0.718 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001571258531 945356765 /nfs/dbraw/zinc/35/67/65/945356765.db2.gz VGUBSTQDGFOXNF-GFCCVEGCSA-N 0 3 385.407 0.718 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001571258531 945356778 /nfs/dbraw/zinc/35/67/78/945356778.db2.gz VGUBSTQDGFOXNF-GFCCVEGCSA-N 0 3 385.407 0.718 20 0 GCADHN COCCC[N@H+](C)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736982225 944926293 /nfs/dbraw/zinc/92/62/93/944926293.db2.gz SMPNMQCWSSNFKK-UHFFFAOYSA-N 0 3 399.459 0.333 20 0 GCADHN COCCC[N@@H+](C)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736982225 944926303 /nfs/dbraw/zinc/92/63/03/944926303.db2.gz SMPNMQCWSSNFKK-UHFFFAOYSA-N 0 3 399.459 0.333 20 0 GCADHN COCCC[N@H+](C)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736982225 944926314 /nfs/dbraw/zinc/92/63/14/944926314.db2.gz SMPNMQCWSSNFKK-UHFFFAOYSA-N 0 3 399.459 0.333 20 0 GCADHN COCCC[N@@H+](C)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736982225 944926330 /nfs/dbraw/zinc/92/63/30/944926330.db2.gz SMPNMQCWSSNFKK-UHFFFAOYSA-N 0 3 399.459 0.333 20 0 GCADHN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001571264228 945477218 /nfs/dbraw/zinc/47/72/18/945477218.db2.gz JEVPLBSSIBZJJQ-QGZVFWFLSA-N 0 3 385.472 0.232 20 0 GCADHN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001571264228 945477223 /nfs/dbraw/zinc/47/72/23/945477223.db2.gz JEVPLBSSIBZJJQ-QGZVFWFLSA-N 0 3 385.472 0.232 20 0 GCADHN CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001571265012 945496531 /nfs/dbraw/zinc/49/65/31/945496531.db2.gz AXXRGCSKVWTFLI-STQMWFEESA-N 0 3 385.476 0.256 20 0 GCADHN CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001571265012 945496536 /nfs/dbraw/zinc/49/65/36/945496536.db2.gz AXXRGCSKVWTFLI-STQMWFEESA-N 0 3 385.476 0.256 20 0 GCADHN CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001571265087 945498753 /nfs/dbraw/zinc/49/87/53/945498753.db2.gz BUQBALJWWYMDMG-ZDUSSCGKSA-N 0 3 385.476 0.568 20 0 GCADHN C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571265166 945501468 /nfs/dbraw/zinc/50/14/68/945501468.db2.gz FMOFAJOWVXRCJO-HNNXBMFYSA-N 0 3 385.476 0.792 20 0 GCADHN C[N@H+]1CCC[C@H]1C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571265166 945501471 /nfs/dbraw/zinc/50/14/71/945501471.db2.gz FMOFAJOWVXRCJO-HNNXBMFYSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C[N@@H+]1C1CC1 ZINC000820657812 945510769 /nfs/dbraw/zinc/51/07/69/945510769.db2.gz MZOPJBLDEDKTCM-KBPBESRZSA-N 0 3 397.487 0.719 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C[N@H+]1C1CC1 ZINC000820657812 945510777 /nfs/dbraw/zinc/51/07/77/945510777.db2.gz MZOPJBLDEDKTCM-KBPBESRZSA-N 0 3 397.487 0.719 20 0 GCADHN C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001571265746 945517841 /nfs/dbraw/zinc/51/78/41/945517841.db2.gz JMLQZLDNPOOFNP-QWHCGFSZSA-N 0 3 385.476 0.932 20 0 GCADHN C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571265746 945517848 /nfs/dbraw/zinc/51/78/48/945517848.db2.gz JMLQZLDNPOOFNP-QWHCGFSZSA-N 0 3 385.476 0.932 20 0 GCADHN CN(C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C)c1cncc(-c2nnn[n-]2)n1 ZINC001571265712 945519561 /nfs/dbraw/zinc/51/95/61/945519561.db2.gz IXJAWGSTZBOFCO-HIFRSBDPSA-N 0 3 385.476 0.568 20 0 GCADHN CN(C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1cncc(-c2nnn[n-]2)n1 ZINC001571265712 945519567 /nfs/dbraw/zinc/51/95/67/945519567.db2.gz IXJAWGSTZBOFCO-HIFRSBDPSA-N 0 3 385.476 0.568 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265904 945523724 /nfs/dbraw/zinc/52/37/24/945523724.db2.gz KQVNLVWKTRAQRO-UONOGXRCSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265904 945523732 /nfs/dbraw/zinc/52/37/32/945523732.db2.gz KQVNLVWKTRAQRO-UONOGXRCSA-N 0 3 385.476 0.649 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265897 945524646 /nfs/dbraw/zinc/52/46/46/945524646.db2.gz SGPDVKVTQUKSHZ-DZGCQCFKSA-N 0 3 385.476 0.792 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265897 945524650 /nfs/dbraw/zinc/52/46/50/945524650.db2.gz SGPDVKVTQUKSHZ-DZGCQCFKSA-N 0 3 385.476 0.792 20 0 GCADHN CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266199 945533676 /nfs/dbraw/zinc/53/36/76/945533676.db2.gz NMOUFZJCFLZNGI-DZGCQCFKSA-N 0 3 385.476 0.934 20 0 GCADHN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266199 945533684 /nfs/dbraw/zinc/53/36/84/945533684.db2.gz NMOUFZJCFLZNGI-DZGCQCFKSA-N 0 3 385.476 0.934 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571266425 945541800 /nfs/dbraw/zinc/54/18/00/945541800.db2.gz QOGCIORGOGAFNN-GDBMZVCRSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571266425 945541809 /nfs/dbraw/zinc/54/18/09/945541809.db2.gz QOGCIORGOGAFNN-GDBMZVCRSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571266425 945541815 /nfs/dbraw/zinc/54/18/15/945541815.db2.gz QOGCIORGOGAFNN-GDBMZVCRSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571266425 945541821 /nfs/dbraw/zinc/54/18/21/945541821.db2.gz QOGCIORGOGAFNN-GDBMZVCRSA-N 0 3 385.472 0.940 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266472 945542107 /nfs/dbraw/zinc/54/21/07/945542107.db2.gz RKCBYZMDFQSPDE-UKRRQHHQSA-N 0 3 385.476 0.615 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266472 945542112 /nfs/dbraw/zinc/54/21/12/945542112.db2.gz RKCBYZMDFQSPDE-UKRRQHHQSA-N 0 3 385.476 0.615 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571266426 945542289 /nfs/dbraw/zinc/54/22/89/945542289.db2.gz QOGCIORGOGAFNN-GOEBONIOSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571266426 945542294 /nfs/dbraw/zinc/54/22/94/945542294.db2.gz QOGCIORGOGAFNN-GOEBONIOSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571266426 945542305 /nfs/dbraw/zinc/54/23/05/945542305.db2.gz QOGCIORGOGAFNN-GOEBONIOSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571266426 945542312 /nfs/dbraw/zinc/54/23/12/945542312.db2.gz QOGCIORGOGAFNN-GOEBONIOSA-N 0 3 385.472 0.940 20 0 GCADHN CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266601 945547703 /nfs/dbraw/zinc/54/77/03/945547703.db2.gz VETARTOKAKFEPU-ZFWWWQNUSA-N 0 3 385.476 0.790 20 0 GCADHN CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266601 945547711 /nfs/dbraw/zinc/54/77/11/945547711.db2.gz VETARTOKAKFEPU-ZFWWWQNUSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571266731 945552150 /nfs/dbraw/zinc/55/21/50/945552150.db2.gz YBRXZFKDCMKVDW-ZIAGYGMSSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571266731 945552156 /nfs/dbraw/zinc/55/21/56/945552156.db2.gz YBRXZFKDCMKVDW-ZIAGYGMSSA-N 0 3 385.476 0.649 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnns3)C2)cc1-c1nnn[n-]1 ZINC001571269939 945627487 /nfs/dbraw/zinc/62/74/87/945627487.db2.gz ILWHCIWZGNBGEL-PHIMTYICSA-N 0 3 386.441 0.777 20 0 GCADHN COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnns3)C2)cc1-c1nn[n-]n1 ZINC001571269939 945627496 /nfs/dbraw/zinc/62/74/96/945627496.db2.gz ILWHCIWZGNBGEL-PHIMTYICSA-N 0 3 386.441 0.777 20 0 GCADHN C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571272632 945668103 /nfs/dbraw/zinc/66/81/03/945668103.db2.gz GOCQUYDZTTWPEO-ZIAGYGMSSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571272632 945668109 /nfs/dbraw/zinc/66/81/09/945668109.db2.gz GOCQUYDZTTWPEO-ZIAGYGMSSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571272632 945668117 /nfs/dbraw/zinc/66/81/17/945668117.db2.gz GOCQUYDZTTWPEO-ZIAGYGMSSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571272632 945668122 /nfs/dbraw/zinc/66/81/22/945668122.db2.gz GOCQUYDZTTWPEO-ZIAGYGMSSA-N 0 3 386.460 0.400 20 0 GCADHN CN1CCC[C@H]([N@H+](C)C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001571273215 945682083 /nfs/dbraw/zinc/68/20/83/945682083.db2.gz SSTRMFBCZCGYCY-HNNXBMFYSA-N 0 3 386.460 0.352 20 0 GCADHN CN1CCC[C@H]([N@@H+](C)C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001571273215 945682088 /nfs/dbraw/zinc/68/20/88/945682088.db2.gz SSTRMFBCZCGYCY-HNNXBMFYSA-N 0 3 386.460 0.352 20 0 GCADHN CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273278 945683449 /nfs/dbraw/zinc/68/34/49/945683449.db2.gz UNUONWAKDOOZNP-STQMWFEESA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273278 945683451 /nfs/dbraw/zinc/68/34/51/945683451.db2.gz UNUONWAKDOOZNP-STQMWFEESA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273278 945683452 /nfs/dbraw/zinc/68/34/52/945683452.db2.gz UNUONWAKDOOZNP-STQMWFEESA-N 0 3 386.460 0.210 20 0 GCADHN CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273278 945683454 /nfs/dbraw/zinc/68/34/54/945683454.db2.gz UNUONWAKDOOZNP-STQMWFEESA-N 0 3 386.460 0.210 20 0 GCADHN C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571273280 945684567 /nfs/dbraw/zinc/68/45/67/945684567.db2.gz UQRKSJSQROXQMY-AWEZNQCLSA-N 0 3 386.460 0.354 20 0 GCADHN C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571273280 945684572 /nfs/dbraw/zinc/68/45/72/945684572.db2.gz UQRKSJSQROXQMY-AWEZNQCLSA-N 0 3 386.460 0.354 20 0 GCADHN C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571273280 945684574 /nfs/dbraw/zinc/68/45/74/945684574.db2.gz UQRKSJSQROXQMY-AWEZNQCLSA-N 0 3 386.460 0.354 20 0 GCADHN C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571273280 945684581 /nfs/dbraw/zinc/68/45/81/945684581.db2.gz UQRKSJSQROXQMY-AWEZNQCLSA-N 0 3 386.460 0.354 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273362 945686859 /nfs/dbraw/zinc/68/68/59/945686859.db2.gz WDBKLTHTHOMBNX-STQMWFEESA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273362 945686861 /nfs/dbraw/zinc/68/68/61/945686861.db2.gz WDBKLTHTHOMBNX-STQMWFEESA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273362 945686865 /nfs/dbraw/zinc/68/68/65/945686865.db2.gz WDBKLTHTHOMBNX-STQMWFEESA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273362 945686869 /nfs/dbraw/zinc/68/68/69/945686869.db2.gz WDBKLTHTHOMBNX-STQMWFEESA-N 0 3 386.460 0.257 20 0 GCADHN CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C1 ZINC001571273498 945690554 /nfs/dbraw/zinc/69/05/54/945690554.db2.gz YOQRXZADUIGSSO-XQQFMLRXSA-N 0 3 386.460 0.113 20 0 GCADHN CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C1 ZINC001571273498 945690559 /nfs/dbraw/zinc/69/05/59/945690559.db2.gz YOQRXZADUIGSSO-XQQFMLRXSA-N 0 3 386.460 0.113 20 0 GCADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1COCCO1 ZINC001571275904 945719081 /nfs/dbraw/zinc/71/90/81/945719081.db2.gz FGHJLDPLKPGYDP-USXIJHARSA-N 0 3 386.456 0.657 20 0 GCADHN O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1COCCO1 ZINC001571275904 945719086 /nfs/dbraw/zinc/71/90/86/945719086.db2.gz FGHJLDPLKPGYDP-USXIJHARSA-N 0 3 386.456 0.657 20 0 GCADHN CN(C)C1(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)Cc2ccccc2C1 ZINC000821581514 945722554 /nfs/dbraw/zinc/72/25/54/945722554.db2.gz NQINCVRASOYXLH-CQSZACIVSA-N 0 3 393.499 0.794 20 0 GCADHN CN(C)C1(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)Cc2ccccc2C1 ZINC000821581514 945722559 /nfs/dbraw/zinc/72/25/59/945722559.db2.gz NQINCVRASOYXLH-CQSZACIVSA-N 0 3 393.499 0.794 20 0 GCADHN O=C([C@H]1CCC(=O)N1)N1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001571276996 945739189 /nfs/dbraw/zinc/73/91/89/945739189.db2.gz MMIOCGMCYWHXRT-OAHLLOKOSA-N 0 3 387.419 0.365 20 0 GCADHN O=C([C@H]1CCC(=O)N1)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571276996 945739194 /nfs/dbraw/zinc/73/91/94/945739194.db2.gz MMIOCGMCYWHXRT-OAHLLOKOSA-N 0 3 387.419 0.365 20 0 GCADHN CC(C)N1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571277469 945742004 /nfs/dbraw/zinc/74/20/04/945742004.db2.gz KPWSQOZGZSYQHL-TYNCELHUSA-N 0 3 386.460 0.302 20 0 GCADHN O=C(NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1)[C@H]1CCC(=O)N1 ZINC001571277446 945742732 /nfs/dbraw/zinc/74/27/32/945742732.db2.gz QUUPYQKZXUENSK-JHANDDDOSA-N 0 3 387.419 0.269 20 0 GCADHN CC(C)N1CC[C@H]([NH2+]C2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001571277585 945742922 /nfs/dbraw/zinc/74/29/22/945742922.db2.gz MCRLYBBHGJUADW-UBHUBRDASA-N 0 3 386.460 0.302 20 0 GCADHN CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)CC1=O ZINC001571278323 945751411 /nfs/dbraw/zinc/75/14/11/945751411.db2.gz XUZNNDLOPLDHNG-GXTWGEPZSA-N 0 3 387.419 0.175 20 0 GCADHN CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)CC1=O ZINC001571278323 945751417 /nfs/dbraw/zinc/75/14/17/945751417.db2.gz XUZNNDLOPLDHNG-GXTWGEPZSA-N 0 3 387.419 0.175 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001571278981 945767571 /nfs/dbraw/zinc/76/75/71/945767571.db2.gz TYOMTVRRIOSSAK-FZMZJTMJSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)C1CC[NH+](C)CC1 ZINC001571278981 945767578 /nfs/dbraw/zinc/76/75/78/945767578.db2.gz TYOMTVRRIOSSAK-FZMZJTMJSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571279397 945778416 /nfs/dbraw/zinc/77/84/16/945778416.db2.gz WIRNPWVZQNMEGC-XOKHGSTOSA-N 0 3 386.456 0.609 20 0 GCADHN C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571279397 945778424 /nfs/dbraw/zinc/77/84/24/945778424.db2.gz WIRNPWVZQNMEGC-XOKHGSTOSA-N 0 3 386.456 0.609 20 0 GCADHN O=C(Cc1nnc[nH]1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281700 945809344 /nfs/dbraw/zinc/80/93/44/945809344.db2.gz MCMGDCUQTBNQLD-LLVKDONJSA-N 0 3 387.473 0.617 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573449298 945817071 /nfs/dbraw/zinc/81/70/71/945817071.db2.gz YLZWLZQCWYKTDH-BDJLRTHQSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573456581 945895615 /nfs/dbraw/zinc/89/56/15/945895615.db2.gz MGRAJMCWICFXTB-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573456581 945895627 /nfs/dbraw/zinc/89/56/27/945895627.db2.gz MGRAJMCWICFXTB-MLGOLLRUSA-N 0 3 385.472 0.718 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571284365 945899485 /nfs/dbraw/zinc/89/94/85/945899485.db2.gz OIWVVTDOHVDZEE-DZGCQCFKSA-N 0 3 387.492 0.954 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573456904 945900744 /nfs/dbraw/zinc/90/07/44/945900744.db2.gz PVSAJEQZZGOMOT-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573456904 945900751 /nfs/dbraw/zinc/90/07/51/945900751.db2.gz PVSAJEQZZGOMOT-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573457201 945902507 /nfs/dbraw/zinc/90/25/07/945902507.db2.gz SUEZUHRKFQQAPD-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573457201 945902513 /nfs/dbraw/zinc/90/25/13/945902513.db2.gz SUEZUHRKFQQAPD-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573458966 945911130 /nfs/dbraw/zinc/91/11/30/945911130.db2.gz BKGONNGNBIEWHC-CYBMUJFWSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573458966 945911135 /nfs/dbraw/zinc/91/11/35/945911135.db2.gz BKGONNGNBIEWHC-CYBMUJFWSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573461885 945925718 /nfs/dbraw/zinc/92/57/18/945925718.db2.gz SULBMEXBAHGQPJ-MNOVXSKESA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573462036 945930594 /nfs/dbraw/zinc/93/05/94/945930594.db2.gz WSUYEXYEEPAEFD-INIZCTEOSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573462036 945930602 /nfs/dbraw/zinc/93/06/02/945930602.db2.gz WSUYEXYEEPAEFD-INIZCTEOSA-N 0 3 385.472 0.862 20 0 GCADHN O=C(C1=COCCO1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571286077 945935827 /nfs/dbraw/zinc/93/58/27/945935827.db2.gz XBZZPQKSIRNJDS-CQSZACIVSA-N 0 3 388.403 0.975 20 0 GCADHN O=C(C1=COCCO1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571286077 945935831 /nfs/dbraw/zinc/93/58/31/945935831.db2.gz XBZZPQKSIRNJDS-CQSZACIVSA-N 0 3 388.403 0.975 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573462274 945937235 /nfs/dbraw/zinc/93/72/35/945937235.db2.gz FKPDPAJSJITUEH-CQSZACIVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573462274 945937242 /nfs/dbraw/zinc/93/72/42/945937242.db2.gz FKPDPAJSJITUEH-CQSZACIVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573462274 945937248 /nfs/dbraw/zinc/93/72/48/945937248.db2.gz FKPDPAJSJITUEH-CQSZACIVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573462274 945937256 /nfs/dbraw/zinc/93/72/56/945937256.db2.gz FKPDPAJSJITUEH-CQSZACIVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573465220 945971892 /nfs/dbraw/zinc/97/18/92/945971892.db2.gz VVXYWMAIEDWHGI-BETUJISGSA-N 0 3 389.435 0.657 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573465220 945971901 /nfs/dbraw/zinc/97/19/01/945971901.db2.gz VVXYWMAIEDWHGI-BETUJISGSA-N 0 3 389.435 0.657 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467427 945982210 /nfs/dbraw/zinc/98/22/10/945982210.db2.gz DRHNLFJKHTXSPS-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467427 945982214 /nfs/dbraw/zinc/98/22/14/945982214.db2.gz DRHNLFJKHTXSPS-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573468059 945988626 /nfs/dbraw/zinc/98/86/26/945988626.db2.gz KPMJLUGBRKJKNK-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573468148 945990458 /nfs/dbraw/zinc/99/04/58/945990458.db2.gz LDWKOYWOMUWNTO-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573468148 945990463 /nfs/dbraw/zinc/99/04/63/945990463.db2.gz LDWKOYWOMUWNTO-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573468193 945991513 /nfs/dbraw/zinc/99/15/13/945991513.db2.gz LOFBNJOXRLRAIE-MNOVXSKESA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573468244 945994033 /nfs/dbraw/zinc/99/40/33/945994033.db2.gz MAGXLZGXHOVKSW-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573468244 945994039 /nfs/dbraw/zinc/99/40/39/945994039.db2.gz MAGXLZGXHOVKSW-CYBMUJFWSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573469222 946001725 /nfs/dbraw/zinc/00/17/25/946001725.db2.gz SZBCICNZHLEDGE-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573469222 946001738 /nfs/dbraw/zinc/00/17/38/946001738.db2.gz SZBCICNZHLEDGE-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[NH+](C)C ZINC001571289564 946010866 /nfs/dbraw/zinc/01/08/66/946010866.db2.gz HQQKPNYIVJRGPP-HNNXBMFYSA-N 0 3 388.476 0.456 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573469995 946013007 /nfs/dbraw/zinc/01/30/07/946013007.db2.gz ARTGETLYCHMPML-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573469995 946013014 /nfs/dbraw/zinc/01/30/14/946013014.db2.gz ARTGETLYCHMPML-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573469995 946013022 /nfs/dbraw/zinc/01/30/22/946013022.db2.gz ARTGETLYCHMPML-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573469995 946013033 /nfs/dbraw/zinc/01/30/33/946013033.db2.gz ARTGETLYCHMPML-BBRMVZONSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573469953 946013714 /nfs/dbraw/zinc/01/37/14/946013714.db2.gz YPQVLNLKDYGTNC-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573469953 946013722 /nfs/dbraw/zinc/01/37/22/946013722.db2.gz YPQVLNLKDYGTNC-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470559 946026882 /nfs/dbraw/zinc/02/68/82/946026882.db2.gz GXCJVFWQIIAQGV-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470559 946026892 /nfs/dbraw/zinc/02/68/92/946026892.db2.gz GXCJVFWQIIAQGV-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470557 946028958 /nfs/dbraw/zinc/02/89/58/946028958.db2.gz GXCJVFWQIIAQGV-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573470557 946028963 /nfs/dbraw/zinc/02/89/63/946028963.db2.gz GXCJVFWQIIAQGV-DYVFJYSZSA-N 0 3 385.472 0.814 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[NH+](C)C ZINC001571290109 946029160 /nfs/dbraw/zinc/02/91/60/946029160.db2.gz VMCLDDDZQBHWOR-UKRRQHHQSA-N 0 3 388.476 0.502 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470650 946033617 /nfs/dbraw/zinc/03/36/17/946033617.db2.gz IJKVXJSCZAFGSM-ABAIWWIYSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573470650 946033629 /nfs/dbraw/zinc/03/36/29/946033629.db2.gz IJKVXJSCZAFGSM-ABAIWWIYSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573470975 946040940 /nfs/dbraw/zinc/04/09/40/946040940.db2.gz LJPPEOSPHQAXCN-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573470975 946040955 /nfs/dbraw/zinc/04/09/55/946040955.db2.gz LJPPEOSPHQAXCN-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573472635 946066903 /nfs/dbraw/zinc/06/69/03/946066903.db2.gz WSHCIGILTMRWLM-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573472635 946066914 /nfs/dbraw/zinc/06/69/14/946066914.db2.gz WSHCIGILTMRWLM-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573472936 946069699 /nfs/dbraw/zinc/06/96/99/946069699.db2.gz XZELEDSNQNRGJR-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573472936 946069713 /nfs/dbraw/zinc/06/97/13/946069713.db2.gz XZELEDSNQNRGJR-RISCZKNCSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573472937 946071363 /nfs/dbraw/zinc/07/13/63/946071363.db2.gz XZELEDSNQNRGJR-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573472937 946071376 /nfs/dbraw/zinc/07/13/76/946071376.db2.gz XZELEDSNQNRGJR-SMDDNHRTSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573473173 946077898 /nfs/dbraw/zinc/07/78/98/946077898.db2.gz ZZHPLAUPMJDINX-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573473173 946077911 /nfs/dbraw/zinc/07/79/11/946077911.db2.gz ZZHPLAUPMJDINX-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573474811 946094541 /nfs/dbraw/zinc/09/45/41/946094541.db2.gz NYODTLKGWGBKAV-ZWNOBZJWSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573474811 946094549 /nfs/dbraw/zinc/09/45/49/946094549.db2.gz NYODTLKGWGBKAV-ZWNOBZJWSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001573475712 946104253 /nfs/dbraw/zinc/10/42/53/946104253.db2.gz AEQXTUMIQXCNHV-LRDDRELGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001573475710 946104633 /nfs/dbraw/zinc/10/46/33/946104633.db2.gz AEQXTUMIQXCNHV-BLLLJJGKSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)CC1(C)C ZINC001573475718 946105043 /nfs/dbraw/zinc/10/50/43/946105043.db2.gz AEQXTUMIQXCNHV-WBMJQRKESA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573475724 946105087 /nfs/dbraw/zinc/10/50/87/946105087.db2.gz WVYGABMSESSEDS-BUXKBTBVSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573475724 946105093 /nfs/dbraw/zinc/10/50/93/946105093.db2.gz WVYGABMSESSEDS-BUXKBTBVSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1(C)CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573475997 946109028 /nfs/dbraw/zinc/10/90/28/946109028.db2.gz BWPKLFYUHARWMF-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1(C)CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573475997 946109045 /nfs/dbraw/zinc/10/90/45/946109045.db2.gz BWPKLFYUHARWMF-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2csc(-c3nnn[n-]3)c2)cn1 ZINC001571293874 946118915 /nfs/dbraw/zinc/11/89/15/946118915.db2.gz UQDMYBJVSYQYGV-UHFFFAOYSA-N 0 3 389.445 0.055 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573476547 946121853 /nfs/dbraw/zinc/12/18/53/946121853.db2.gz HWOXEDMDSSBFFW-CYBMUJFWSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573477052 946128248 /nfs/dbraw/zinc/12/82/48/946128248.db2.gz LSYCHWXXCKVOTI-WDEREUQCSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573477052 946128251 /nfs/dbraw/zinc/12/82/51/946128251.db2.gz LSYCHWXXCKVOTI-WDEREUQCSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573477805 946143431 /nfs/dbraw/zinc/14/34/31/946143431.db2.gz UGEXOWIIIBLBAG-CKQAKLJMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1CC(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573477805 946143436 /nfs/dbraw/zinc/14/34/36/946143436.db2.gz UGEXOWIIIBLBAG-CKQAKLJMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573479351 946156942 /nfs/dbraw/zinc/15/69/42/946156942.db2.gz BWYFSVLZCQREHN-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573479351 946156946 /nfs/dbraw/zinc/15/69/46/946156946.db2.gz BWYFSVLZCQREHN-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573479351 946156952 /nfs/dbraw/zinc/15/69/52/946156952.db2.gz BWYFSVLZCQREHN-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573479351 946156957 /nfs/dbraw/zinc/15/69/57/946156957.db2.gz BWYFSVLZCQREHN-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573479402 946159132 /nfs/dbraw/zinc/15/91/32/946159132.db2.gz CMRKQAKCMVDQRW-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573479402 946159137 /nfs/dbraw/zinc/15/91/37/946159137.db2.gz CMRKQAKCMVDQRW-BXUZGUMPSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573479616 946166410 /nfs/dbraw/zinc/16/64/10/946166410.db2.gz GDACJFGIXKGRNA-QWRGUYRKSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573481380 946182708 /nfs/dbraw/zinc/18/27/08/946182708.db2.gz OPAJKZPNNREGJE-SNVBAGLBSA-N 0 3 375.408 0.269 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001573481645 946184402 /nfs/dbraw/zinc/18/44/02/946184402.db2.gz QMYZZWFSRACWDP-SUMWQHHRSA-N 0 3 385.472 0.862 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001571296191 946186613 /nfs/dbraw/zinc/18/66/13/946186613.db2.gz QBTIJWXWRRCFCZ-CZUORRHYSA-N 0 3 390.419 0.454 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001571296191 946186621 /nfs/dbraw/zinc/18/66/21/946186621.db2.gz QBTIJWXWRRCFCZ-CZUORRHYSA-N 0 3 390.419 0.454 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482026 946189712 /nfs/dbraw/zinc/18/97/12/946189712.db2.gz SZLSEMRDLZCUCD-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482026 946189720 /nfs/dbraw/zinc/18/97/20/946189720.db2.gz SZLSEMRDLZCUCD-FZMZJTMJSA-N 0 3 389.435 0.469 20 0 GCADHN O=C([C@H]1CCCS1(=O)=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571298225 946211327 /nfs/dbraw/zinc/21/13/27/946211327.db2.gz KKQRUOOBDLIGNH-DZGCQCFKSA-N 0 3 390.469 0.134 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573484997 946222025 /nfs/dbraw/zinc/22/20/25/946222025.db2.gz OYZJNAOQMLBWSD-LERXQTSPSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573484997 946222036 /nfs/dbraw/zinc/22/20/36/946222036.db2.gz OYZJNAOQMLBWSD-LERXQTSPSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573485538 946230295 /nfs/dbraw/zinc/23/02/95/946230295.db2.gz VHBPLTXIHSGMCD-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573485538 946230306 /nfs/dbraw/zinc/23/03/06/946230306.db2.gz VHBPLTXIHSGMCD-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573485538 946230318 /nfs/dbraw/zinc/23/03/18/946230318.db2.gz VHBPLTXIHSGMCD-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573485538 946230329 /nfs/dbraw/zinc/23/03/29/946230329.db2.gz VHBPLTXIHSGMCD-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573487653 946257339 /nfs/dbraw/zinc/25/73/39/946257339.db2.gz QQCQFTHLRSEJAM-XDTLVQLUSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573487653 946257350 /nfs/dbraw/zinc/25/73/50/946257350.db2.gz QQCQFTHLRSEJAM-XDTLVQLUSA-N 0 3 375.408 0.267 20 0 GCADHN Cn1cc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c(C(F)F)n1 ZINC001571302328 946301316 /nfs/dbraw/zinc/30/13/16/946301316.db2.gz UVBTVYMVASMZJM-NSHDSACASA-N 0 3 391.386 0.870 20 0 GCADHN O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823171643 946336196 /nfs/dbraw/zinc/33/61/96/946336196.db2.gz YYOOMKFBXHNNBC-LJQANCHMSA-N 0 3 379.424 0.629 20 0 GCADHN O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823171643 946336205 /nfs/dbraw/zinc/33/62/05/946336205.db2.gz YYOOMKFBXHNNBC-LJQANCHMSA-N 0 3 379.424 0.629 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573499725 946369523 /nfs/dbraw/zinc/36/95/23/946369523.db2.gz FWNYMVDQUYOGAZ-MEBBXXQBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573500929 946377500 /nfs/dbraw/zinc/37/75/00/946377500.db2.gz LSQRIQBCBFDLTA-NHYWBVRUSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573500929 946377510 /nfs/dbraw/zinc/37/75/10/946377510.db2.gz LSQRIQBCBFDLTA-NHYWBVRUSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573502076 946384489 /nfs/dbraw/zinc/38/44/89/946384489.db2.gz UYDXUVXPKMKSJK-ZUZCIYMTSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573502076 946384531 /nfs/dbraw/zinc/38/45/31/946384531.db2.gz UYDXUVXPKMKSJK-ZUZCIYMTSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573504020 946404124 /nfs/dbraw/zinc/40/41/24/946404124.db2.gz DKENLJYZJZPFNR-AWEZNQCLSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573504020 946404129 /nfs/dbraw/zinc/40/41/29/946404129.db2.gz DKENLJYZJZPFNR-AWEZNQCLSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@@H]1C ZINC001573504190 946408159 /nfs/dbraw/zinc/40/81/59/946408159.db2.gz HGHRJGXFRDYZNM-BONVTDFDSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@@H]1C ZINC001573504190 946408172 /nfs/dbraw/zinc/40/81/72/946408172.db2.gz HGHRJGXFRDYZNM-BONVTDFDSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505659 946423772 /nfs/dbraw/zinc/42/37/72/946423772.db2.gz MQEPIYCHNXYYER-IRXDYDNUSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505659 946423781 /nfs/dbraw/zinc/42/37/81/946423781.db2.gz MQEPIYCHNXYYER-IRXDYDNUSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505659 946423787 /nfs/dbraw/zinc/42/37/87/946423787.db2.gz MQEPIYCHNXYYER-IRXDYDNUSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505659 946423795 /nfs/dbraw/zinc/42/37/95/946423795.db2.gz MQEPIYCHNXYYER-IRXDYDNUSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573505646 946424543 /nfs/dbraw/zinc/42/45/43/946424543.db2.gz MJBUVACNFWXPDF-CQSZACIVSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573505646 946424551 /nfs/dbraw/zinc/42/45/51/946424551.db2.gz MJBUVACNFWXPDF-CQSZACIVSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573506066 946430230 /nfs/dbraw/zinc/43/02/30/946430230.db2.gz OVMFSKGMAWVWHK-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573506066 946430233 /nfs/dbraw/zinc/43/02/33/946430233.db2.gz OVMFSKGMAWVWHK-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573506066 946430238 /nfs/dbraw/zinc/43/02/38/946430238.db2.gz OVMFSKGMAWVWHK-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573506066 946430240 /nfs/dbraw/zinc/43/02/40/946430240.db2.gz OVMFSKGMAWVWHK-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573506294 946430694 /nfs/dbraw/zinc/43/06/94/946430694.db2.gz QIVUXSCDFGVJLI-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573506294 946430703 /nfs/dbraw/zinc/43/07/03/946430703.db2.gz QIVUXSCDFGVJLI-RISCZKNCSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573506368 946433220 /nfs/dbraw/zinc/43/32/20/946433220.db2.gz RICKZNNCTAEZTJ-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573506368 946433225 /nfs/dbraw/zinc/43/32/25/946433225.db2.gz RICKZNNCTAEZTJ-UHFFFAOYSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N1CCC([N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573506840 946439657 /nfs/dbraw/zinc/43/96/57/946439657.db2.gz UQZFDDVXVUAAII-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573506840 946439666 /nfs/dbraw/zinc/43/96/66/946439666.db2.gz UQZFDDVXVUAAII-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC([N@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573506840 946439672 /nfs/dbraw/zinc/43/96/72/946439672.db2.gz UQZFDDVXVUAAII-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CCC([N@@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573506840 946439683 /nfs/dbraw/zinc/43/96/83/946439683.db2.gz UQZFDDVXVUAAII-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573507530 946448176 /nfs/dbraw/zinc/44/81/76/946448176.db2.gz YVCZLFCHCDTGFR-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573507530 946448182 /nfs/dbraw/zinc/44/81/82/946448182.db2.gz YVCZLFCHCDTGFR-NHYWBVRUSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573508920 946454464 /nfs/dbraw/zinc/45/44/64/946454464.db2.gz AYYBYCJXLVYPCG-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573508920 946454472 /nfs/dbraw/zinc/45/44/72/946454472.db2.gz AYYBYCJXLVYPCG-KRWDZBQOSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573509813 946466707 /nfs/dbraw/zinc/46/67/07/946466707.db2.gz SVDFGRQLYJUVBG-AWEZNQCLSA-N 0 3 389.435 0.613 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)CC(C)C ZINC001573510164 946472357 /nfs/dbraw/zinc/47/23/57/946472357.db2.gz ANXXMLGSXSYPGG-HNNXBMFYSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)CC(C)C ZINC001573510164 946472361 /nfs/dbraw/zinc/47/23/61/946472361.db2.gz ANXXMLGSXSYPGG-HNNXBMFYSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573510285 946476495 /nfs/dbraw/zinc/47/64/95/946476495.db2.gz DJIBXCUQSHBZSK-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573510285 946476501 /nfs/dbraw/zinc/47/65/01/946476501.db2.gz DJIBXCUQSHBZSK-WDEREUQCSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573510715 946479660 /nfs/dbraw/zinc/47/96/60/946479660.db2.gz JYUSGCJRCJKVFZ-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573510715 946479669 /nfs/dbraw/zinc/47/96/69/946479669.db2.gz JYUSGCJRCJKVFZ-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573511583 946486750 /nfs/dbraw/zinc/48/67/50/946486750.db2.gz BTNDDUZAYLVCEP-GOEBONIOSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573511583 946486758 /nfs/dbraw/zinc/48/67/58/946486758.db2.gz BTNDDUZAYLVCEP-GOEBONIOSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573511962 946490908 /nfs/dbraw/zinc/49/09/08/946490908.db2.gz CJXZORMAIBCJCD-CZUORRHYSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573511962 946490918 /nfs/dbraw/zinc/49/09/18/946490918.db2.gz CJXZORMAIBCJCD-CZUORRHYSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@@H]2C1 ZINC001573511859 946491492 /nfs/dbraw/zinc/49/14/92/946491492.db2.gz UFPZVLRFYYXNBI-OKILXGFUSA-N 0 3 387.419 0.032 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@@H]2C1 ZINC001573511859 946491505 /nfs/dbraw/zinc/49/15/05/946491505.db2.gz UFPZVLRFYYXNBI-OKILXGFUSA-N 0 3 387.419 0.032 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573512202 946495998 /nfs/dbraw/zinc/49/59/98/946495998.db2.gz VZOHDLYCZZEMTM-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573512202 946496009 /nfs/dbraw/zinc/49/60/09/946496009.db2.gz VZOHDLYCZZEMTM-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573512202 946496019 /nfs/dbraw/zinc/49/60/19/946496019.db2.gz VZOHDLYCZZEMTM-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573512202 946496026 /nfs/dbraw/zinc/49/60/26/946496026.db2.gz VZOHDLYCZZEMTM-GUYCJALGSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC12CC[NH+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573513035 946507059 /nfs/dbraw/zinc/50/70/59/946507059.db2.gz KCVWWQOJNRKECB-MRXNPFEDSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC12CC[NH+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573513035 946507068 /nfs/dbraw/zinc/50/70/68/946507068.db2.gz KCVWWQOJNRKECB-MRXNPFEDSA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C12CCC2 ZINC001573513046 946508292 /nfs/dbraw/zinc/50/82/92/946508292.db2.gz KGNCCZMZRMOAAV-HZPDHXFCSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C12CCC2 ZINC001573513046 946508301 /nfs/dbraw/zinc/50/83/01/946508301.db2.gz KGNCCZMZRMOAAV-HZPDHXFCSA-N 0 3 383.456 0.520 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573513437 946513559 /nfs/dbraw/zinc/51/35/59/946513559.db2.gz NHLXBEBBEWHJGI-TZMCWYRMSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573513437 946513567 /nfs/dbraw/zinc/51/35/67/946513567.db2.gz NHLXBEBBEWHJGI-TZMCWYRMSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573513717 946515749 /nfs/dbraw/zinc/51/57/49/946515749.db2.gz POHFPCUMKRZZEQ-DOTOQJQBSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573513717 946515754 /nfs/dbraw/zinc/51/57/54/946515754.db2.gz POHFPCUMKRZZEQ-DOTOQJQBSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573513878 946515901 /nfs/dbraw/zinc/51/59/01/946515901.db2.gz QMGJGRWSUHOEQH-UONOGXRCSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573513878 946515907 /nfs/dbraw/zinc/51/59/07/946515907.db2.gz QMGJGRWSUHOEQH-UONOGXRCSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573514538 946530106 /nfs/dbraw/zinc/53/01/06/946530106.db2.gz ZQJWJKKCPYLCDK-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573514538 946530115 /nfs/dbraw/zinc/53/01/15/946530115.db2.gz ZQJWJKKCPYLCDK-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573514538 946530123 /nfs/dbraw/zinc/53/01/23/946530123.db2.gz ZQJWJKKCPYLCDK-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573514538 946530133 /nfs/dbraw/zinc/53/01/33/946530133.db2.gz ZQJWJKKCPYLCDK-QFBILLFUSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1(C)C ZINC001573515094 946537718 /nfs/dbraw/zinc/53/77/18/946537718.db2.gz HKTILVLZZKVJBL-MRXNPFEDSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1(C)C ZINC001573515094 946537732 /nfs/dbraw/zinc/53/77/32/946537732.db2.gz HKTILVLZZKVJBL-MRXNPFEDSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1(C)C ZINC001573515092 946538556 /nfs/dbraw/zinc/53/85/56/946538556.db2.gz HKTILVLZZKVJBL-INIZCTEOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1(C)C ZINC001573515092 946538569 /nfs/dbraw/zinc/53/85/69/946538569.db2.gz HKTILVLZZKVJBL-INIZCTEOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573518046 946586862 /nfs/dbraw/zinc/58/68/62/946586862.db2.gz WSDKCXQYKSTIHP-LJQANCHMSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573518046 946586872 /nfs/dbraw/zinc/58/68/72/946586872.db2.gz WSDKCXQYKSTIHP-LJQANCHMSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573518046 946586881 /nfs/dbraw/zinc/58/68/81/946586881.db2.gz WSDKCXQYKSTIHP-LJQANCHMSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573518046 946586895 /nfs/dbraw/zinc/58/68/95/946586895.db2.gz WSDKCXQYKSTIHP-LJQANCHMSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573520232 946592208 /nfs/dbraw/zinc/59/22/08/946592208.db2.gz DZZBTGVCXHPNKO-JOCQHMNTSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573520232 946592215 /nfs/dbraw/zinc/59/22/15/946592215.db2.gz DZZBTGVCXHPNKO-JOCQHMNTSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573520078 946592937 /nfs/dbraw/zinc/59/29/37/946592937.db2.gz BZOUTUDGQZGHLH-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573520078 946592946 /nfs/dbraw/zinc/59/29/46/946592946.db2.gz BZOUTUDGQZGHLH-ZDUSSCGKSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573521262 946605682 /nfs/dbraw/zinc/60/56/82/946605682.db2.gz VHRYOSGENRICSY-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573521262 946605687 /nfs/dbraw/zinc/60/56/87/946605687.db2.gz VHRYOSGENRICSY-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573521262 946605690 /nfs/dbraw/zinc/60/56/90/946605690.db2.gz VHRYOSGENRICSY-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573521262 946605694 /nfs/dbraw/zinc/60/56/94/946605694.db2.gz VHRYOSGENRICSY-CYBMUJFWSA-N 0 3 389.435 0.470 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573521741 946610579 /nfs/dbraw/zinc/61/05/79/946610579.db2.gz DMBIHVCNCLAWBR-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573521741 946610587 /nfs/dbraw/zinc/61/05/87/946610587.db2.gz DMBIHVCNCLAWBR-CYBMUJFWSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573521984 946618376 /nfs/dbraw/zinc/61/83/76/946618376.db2.gz RXIBVZTWICPVBL-HZPDHXFCSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573521984 946618381 /nfs/dbraw/zinc/61/83/81/946618381.db2.gz RXIBVZTWICPVBL-HZPDHXFCSA-N 0 3 389.435 0.659 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573523167 946635064 /nfs/dbraw/zinc/63/50/64/946635064.db2.gz PGCPPZGTLPFYFY-KXBFYZLASA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573523167 946635070 /nfs/dbraw/zinc/63/50/70/946635070.db2.gz PGCPPZGTLPFYFY-KXBFYZLASA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1-c1nn[n-]n1)C2 ZINC001573523167 946635073 /nfs/dbraw/zinc/63/50/73/946635073.db2.gz PGCPPZGTLPFYFY-KXBFYZLASA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1-c1nn[n-]n1)C2 ZINC001573523167 946635076 /nfs/dbraw/zinc/63/50/76/946635076.db2.gz PGCPPZGTLPFYFY-KXBFYZLASA-N 0 3 383.456 0.474 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573523857 946639148 /nfs/dbraw/zinc/63/91/48/946639148.db2.gz XQJKMDYOEQBFPY-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573523857 946639152 /nfs/dbraw/zinc/63/91/52/946639152.db2.gz XQJKMDYOEQBFPY-ZDUSSCGKSA-N 0 3 387.488 0.871 20 0 GCADHN Brc1cnc(N2CC([NH2+]C3CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC001573279665 946646095 /nfs/dbraw/zinc/64/60/95/946646095.db2.gz MBTJVWDNERVPKU-UHFFFAOYSA-N 0 3 380.250 0.981 20 0 GCADHN Brc1cnc(N2CC([NH2+]C3CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC001573279665 946646099 /nfs/dbraw/zinc/64/60/99/946646099.db2.gz MBTJVWDNERVPKU-UHFFFAOYSA-N 0 3 380.250 0.981 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573527925 946650758 /nfs/dbraw/zinc/65/07/58/946650758.db2.gz LYKDNCAZAWKWBQ-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573527925 946650763 /nfs/dbraw/zinc/65/07/63/946650763.db2.gz LYKDNCAZAWKWBQ-CYBMUJFWSA-N 0 3 387.488 0.871 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001573536800 946739867 /nfs/dbraw/zinc/73/98/67/946739867.db2.gz FETKYJZVEWVABU-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001573536800 946739871 /nfs/dbraw/zinc/73/98/71/946739871.db2.gz FETKYJZVEWVABU-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001573537411 946748316 /nfs/dbraw/zinc/74/83/16/946748316.db2.gz NREZRTIWRFYWAQ-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001573537411 946748324 /nfs/dbraw/zinc/74/83/24/946748324.db2.gz NREZRTIWRFYWAQ-CXAGYDPISA-N 0 3 387.488 0.964 20 0 GCADHN CCS(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825663232 947280683 /nfs/dbraw/zinc/28/06/83/947280683.db2.gz JWKKFRFPQXQRSW-UHFFFAOYSA-N 0 3 378.502 0.855 20 0 GCADHN C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826028452 947406929 /nfs/dbraw/zinc/40/69/29/947406929.db2.gz ANHGPUUCHVICDS-HIFRSBDPSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826028452 947406934 /nfs/dbraw/zinc/40/69/34/947406934.db2.gz ANHGPUUCHVICDS-HIFRSBDPSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826028452 947406938 /nfs/dbraw/zinc/40/69/38/947406938.db2.gz ANHGPUUCHVICDS-HIFRSBDPSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826028452 947406943 /nfs/dbraw/zinc/40/69/43/947406943.db2.gz ANHGPUUCHVICDS-HIFRSBDPSA-N 0 3 385.476 0.799 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573595182 947416997 /nfs/dbraw/zinc/41/69/97/947416997.db2.gz GCLIXMKXSXMZQC-NHYWBVRUSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573595182 947417002 /nfs/dbraw/zinc/41/70/02/947417002.db2.gz GCLIXMKXSXMZQC-NHYWBVRUSA-N 0 3 376.436 0.961 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC001573595701 947423762 /nfs/dbraw/zinc/42/37/62/947423762.db2.gz HIXKJDHUJSPYTA-MFKMUULPSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC001573595701 947423768 /nfs/dbraw/zinc/42/37/68/947423768.db2.gz HIXKJDHUJSPYTA-MFKMUULPSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC001573595689 947425289 /nfs/dbraw/zinc/42/52/89/947425289.db2.gz HIXKJDHUJSPYTA-GWCFXTLKSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC001573595689 947425294 /nfs/dbraw/zinc/42/52/94/947425294.db2.gz HIXKJDHUJSPYTA-GWCFXTLKSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001573597357 947437418 /nfs/dbraw/zinc/43/74/18/947437418.db2.gz NZRYXQKSNLGBBH-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001573597357 947437428 /nfs/dbraw/zinc/43/74/28/947437428.db2.gz NZRYXQKSNLGBBH-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001573597357 947437437 /nfs/dbraw/zinc/43/74/37/947437437.db2.gz NZRYXQKSNLGBBH-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001573597357 947437446 /nfs/dbraw/zinc/43/74/46/947437446.db2.gz NZRYXQKSNLGBBH-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573599752 947463887 /nfs/dbraw/zinc/46/38/87/947463887.db2.gz ZXFIGSWBYPWHMF-GXFFZTMASA-N 0 3 386.378 0.974 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573599752 947463894 /nfs/dbraw/zinc/46/38/94/947463894.db2.gz ZXFIGSWBYPWHMF-GXFFZTMASA-N 0 3 386.378 0.974 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573613912 947573417 /nfs/dbraw/zinc/57/34/17/947573417.db2.gz BOCCGBYPBJPVEE-TZMCWYRMSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573613912 947573427 /nfs/dbraw/zinc/57/34/27/947573427.db2.gz BOCCGBYPBJPVEE-TZMCWYRMSA-N 0 3 392.485 0.238 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1-c1nnn[n-]1 ZINC000826203013 947603825 /nfs/dbraw/zinc/60/38/25/947603825.db2.gz WGPSTJSSXAHRGU-DYVFJYSZSA-N 0 3 393.469 0.701 20 0 GCADHN COc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1-c1nn[n-]n1 ZINC000826203013 947603832 /nfs/dbraw/zinc/60/38/32/947603832.db2.gz WGPSTJSSXAHRGU-DYVFJYSZSA-N 0 3 393.469 0.701 20 0 GCADHN C[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1)n1cncn1 ZINC001573622500 947680287 /nfs/dbraw/zinc/68/02/87/947680287.db2.gz AKLWIETUDQEBMS-ZDUSSCGKSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1)n1cncn1 ZINC001573622500 947680294 /nfs/dbraw/zinc/68/02/94/947680294.db2.gz AKLWIETUDQEBMS-ZDUSSCGKSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573629670 947782086 /nfs/dbraw/zinc/78/20/86/947782086.db2.gz OYZGJNKMSOLNOI-TZMCWYRMSA-N 0 3 392.485 0.380 20 0 GCADHN CC(=O)CCCC(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573377086 947845903 /nfs/dbraw/zinc/84/59/03/947845903.db2.gz HKEKGYPOTYRSBH-KRWDZBQOSA-N 0 3 386.456 0.943 20 0 GCADHN CC(=O)CCCC(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573377086 947845909 /nfs/dbraw/zinc/84/59/09/947845909.db2.gz HKEKGYPOTYRSBH-KRWDZBQOSA-N 0 3 386.456 0.943 20 0 GCADHN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573647593 947900135 /nfs/dbraw/zinc/90/01/35/947900135.db2.gz PSTBMQVKDACCLR-XJKCOSOUSA-N 0 3 381.444 0.656 20 0 GCADHN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573647593 947900145 /nfs/dbraw/zinc/90/01/45/947900145.db2.gz PSTBMQVKDACCLR-XJKCOSOUSA-N 0 3 381.444 0.656 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)C1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573388662 947921159 /nfs/dbraw/zinc/92/11/59/947921159.db2.gz NMLVIFIOZQEMPR-UHFFFAOYSA-N 0 3 385.472 0.768 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H](C)C1 ZINC001573389532 947926664 /nfs/dbraw/zinc/92/66/64/947926664.db2.gz SCXQWIWLABTZQK-ZBEGNZNMSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573390181 947928338 /nfs/dbraw/zinc/92/83/38/947928338.db2.gz XCBDWDHVVCSZHJ-GFCCVEGCSA-N 0 3 377.474 0.439 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573390181 947928344 /nfs/dbraw/zinc/92/83/44/947928344.db2.gz XCBDWDHVVCSZHJ-GFCCVEGCSA-N 0 3 377.474 0.439 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573390209 947928616 /nfs/dbraw/zinc/92/86/16/947928616.db2.gz XHBFEJWMYQCMMV-QGZVFWFLSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573390209 947928624 /nfs/dbraw/zinc/92/86/24/947928624.db2.gz XHBFEJWMYQCMMV-QGZVFWFLSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573391786 947937442 /nfs/dbraw/zinc/93/74/42/947937442.db2.gz KNDJAHLUAZLXCE-AWEZNQCLSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573392138 947942655 /nfs/dbraw/zinc/94/26/55/947942655.db2.gz UMOIVYCEAWMKQS-ZDUSSCGKSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573392138 947942662 /nfs/dbraw/zinc/94/26/62/947942662.db2.gz UMOIVYCEAWMKQS-ZDUSSCGKSA-N 0 3 375.408 0.175 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573392219 947943809 /nfs/dbraw/zinc/94/38/09/947943809.db2.gz XDHUHSVNCZXSQI-MRXNPFEDSA-N 0 3 385.472 0.816 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573392219 947943812 /nfs/dbraw/zinc/94/38/12/947943812.db2.gz XDHUHSVNCZXSQI-MRXNPFEDSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573652629 947943876 /nfs/dbraw/zinc/94/38/76/947943876.db2.gz FOOSJUNJUOMQAX-IAQYHMDHSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573393438 947958996 /nfs/dbraw/zinc/95/89/96/947958996.db2.gz MRRIVDWLCLZEIU-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573393438 947959004 /nfs/dbraw/zinc/95/90/04/947959004.db2.gz MRRIVDWLCLZEIU-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@@H]1C ZINC001573394389 947964869 /nfs/dbraw/zinc/96/48/69/947964869.db2.gz SRMGKZPZPYPIFS-MEDUHNTESA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@@H]1C ZINC001573394389 947964876 /nfs/dbraw/zinc/96/48/76/947964876.db2.gz SRMGKZPZPYPIFS-MEDUHNTESA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573654658 947968823 /nfs/dbraw/zinc/96/88/23/947968823.db2.gz SIRXLJABCFVOMI-LRDDRELGSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573654658 947968827 /nfs/dbraw/zinc/96/88/27/947968827.db2.gz SIRXLJABCFVOMI-LRDDRELGSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573395162 947969221 /nfs/dbraw/zinc/96/92/21/947969221.db2.gz XIJUJLNMHDKXCI-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573395162 947969224 /nfs/dbraw/zinc/96/92/24/947969224.db2.gz XIJUJLNMHDKXCI-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573395695 947973149 /nfs/dbraw/zinc/97/31/49/947973149.db2.gz ZUBTVFQBWHPDEW-GUYCJALGSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573395695 947973160 /nfs/dbraw/zinc/97/31/60/947973160.db2.gz ZUBTVFQBWHPDEW-GUYCJALGSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573395694 947973219 /nfs/dbraw/zinc/97/32/19/947973219.db2.gz ZUBTVFQBWHPDEW-DYVFJYSZSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573395694 947973225 /nfs/dbraw/zinc/97/32/25/947973225.db2.gz ZUBTVFQBWHPDEW-DYVFJYSZSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC001573398121 947977796 /nfs/dbraw/zinc/97/77/96/947977796.db2.gz GTODVIBEWGSPHE-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC001573398121 947977804 /nfs/dbraw/zinc/97/78/04/947977804.db2.gz GTODVIBEWGSPHE-INIZCTEOSA-N 0 3 389.435 0.469 20 0 GCADHN Cc1onc(CC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)c1-c1nnn[n-]1 ZINC000826343175 947988854 /nfs/dbraw/zinc/98/88/54/947988854.db2.gz PMFOUMLQFHLIOK-UHFFFAOYSA-N 0 3 399.459 0.525 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573399348 947991662 /nfs/dbraw/zinc/99/16/62/947991662.db2.gz VNCBGMLDIIYCNS-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573399348 947991670 /nfs/dbraw/zinc/99/16/70/947991670.db2.gz VNCBGMLDIIYCNS-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)CC(C)C ZINC001573399341 947992868 /nfs/dbraw/zinc/99/28/68/947992868.db2.gz VMQMJCBHPOYUKH-KRWDZBQOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)CC(C)C ZINC001573399341 947992875 /nfs/dbraw/zinc/99/28/75/947992875.db2.gz VMQMJCBHPOYUKH-KRWDZBQOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573401810 947998615 /nfs/dbraw/zinc/99/86/15/947998615.db2.gz CXQLCNCEVMPANU-NSHDSACASA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573401810 947998621 /nfs/dbraw/zinc/99/86/21/947998621.db2.gz CXQLCNCEVMPANU-NSHDSACASA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573401864 948000058 /nfs/dbraw/zinc/00/00/58/948000058.db2.gz DTOFGUVGCHCZHD-IRXDYDNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573401864 948000063 /nfs/dbraw/zinc/00/00/63/948000063.db2.gz DTOFGUVGCHCZHD-IRXDYDNUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573402849 948006847 /nfs/dbraw/zinc/00/68/47/948006847.db2.gz JMDGCLBWAOYPFV-WBVHZDCISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573402849 948006853 /nfs/dbraw/zinc/00/68/53/948006853.db2.gz JMDGCLBWAOYPFV-WBVHZDCISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573402816 948006930 /nfs/dbraw/zinc/00/69/30/948006930.db2.gz IVGLSCBSCNVIJL-NSHDSACASA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573402816 948006936 /nfs/dbraw/zinc/00/69/36/948006936.db2.gz IVGLSCBSCNVIJL-NSHDSACASA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573404328 948021704 /nfs/dbraw/zinc/02/17/04/948021704.db2.gz RXTKFTGIHFHXND-GOEBONIOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573404328 948021715 /nfs/dbraw/zinc/02/17/15/948021715.db2.gz RXTKFTGIHFHXND-GOEBONIOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573404892 948033869 /nfs/dbraw/zinc/03/38/69/948033869.db2.gz JZKGQZXZUYMRMH-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001573404892 948033877 /nfs/dbraw/zinc/03/38/77/948033877.db2.gz JZKGQZXZUYMRMH-UHFFFAOYSA-N 0 3 389.435 0.565 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573405473 948044976 /nfs/dbraw/zinc/04/49/76/948044976.db2.gz RWUOHAQROWDHCF-LLVKDONJSA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573405473 948044986 /nfs/dbraw/zinc/04/49/86/948044986.db2.gz RWUOHAQROWDHCF-LLVKDONJSA-N 0 3 377.424 0.469 20 0 GCADHN Cc1onc(CC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826346821 948046194 /nfs/dbraw/zinc/04/61/94/948046194.db2.gz WMCLRTNQTKPGLJ-HNNXBMFYSA-N 0 3 397.439 0.241 20 0 GCADHN Cc1onc(CC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826346821 948046205 /nfs/dbraw/zinc/04/62/05/948046205.db2.gz WMCLRTNQTKPGLJ-HNNXBMFYSA-N 0 3 397.439 0.241 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573405894 948048622 /nfs/dbraw/zinc/04/86/22/948048622.db2.gz YDIVUUDKXXQXBZ-LLVKDONJSA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573405894 948048628 /nfs/dbraw/zinc/04/86/28/948048628.db2.gz YDIVUUDKXXQXBZ-LLVKDONJSA-N 0 3 377.424 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573406757 948058490 /nfs/dbraw/zinc/05/84/90/948058490.db2.gz QXRRIWOUEYVFNP-HDJSIYSDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573406757 948058499 /nfs/dbraw/zinc/05/84/99/948058499.db2.gz QXRRIWOUEYVFNP-HDJSIYSDSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573406959 948059593 /nfs/dbraw/zinc/05/95/93/948059593.db2.gz XNRQYNWZSVDQLH-WKILWMFISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573406959 948059603 /nfs/dbraw/zinc/05/96/03/948059603.db2.gz XNRQYNWZSVDQLH-WKILWMFISA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573406909 948060542 /nfs/dbraw/zinc/06/05/42/948060542.db2.gz WMEPHOOJYJPWRY-GOEBONIOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573406909 948060552 /nfs/dbraw/zinc/06/05/52/948060552.db2.gz WMEPHOOJYJPWRY-GOEBONIOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573408094 948061634 /nfs/dbraw/zinc/06/16/34/948061634.db2.gz BAAZRIPFVVAGIE-JOCQHMNTSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573408094 948061636 /nfs/dbraw/zinc/06/16/36/948061636.db2.gz BAAZRIPFVVAGIE-JOCQHMNTSA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573413254 948078811 /nfs/dbraw/zinc/07/88/11/948078811.db2.gz AJBCHLFAOHLVRL-SJKOYZFVSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573413254 948078820 /nfs/dbraw/zinc/07/88/20/948078820.db2.gz AJBCHLFAOHLVRL-SJKOYZFVSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001573414112 948091418 /nfs/dbraw/zinc/09/14/18/948091418.db2.gz JMARVLCNLXFZCD-LRDDRELGSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001573414112 948091425 /nfs/dbraw/zinc/09/14/25/948091425.db2.gz JMARVLCNLXFZCD-LRDDRELGSA-N 0 3 383.456 0.424 20 0 GCADHN C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573672213 948109492 /nfs/dbraw/zinc/10/94/92/948109492.db2.gz IFLDYRBSBYPYIT-CYBMUJFWSA-N 0 3 381.444 0.800 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573419783 948128557 /nfs/dbraw/zinc/12/85/57/948128557.db2.gz SCFVFGHCGHMURY-NSHDSACASA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H](C)C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573419783 948128564 /nfs/dbraw/zinc/12/85/64/948128564.db2.gz SCFVFGHCGHMURY-NSHDSACASA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573419945 948132396 /nfs/dbraw/zinc/13/23/96/948132396.db2.gz WKBUDRIGBUVZBB-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573419945 948132402 /nfs/dbraw/zinc/13/24/02/948132402.db2.gz WKBUDRIGBUVZBB-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCCC1 ZINC001573677552 948140170 /nfs/dbraw/zinc/14/01/70/948140170.db2.gz XRAUQMCLMJYEHO-KGLIPLIRSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCCCC1 ZINC001573679226 948160014 /nfs/dbraw/zinc/16/00/14/948160014.db2.gz JZGZIKNNAHBYGO-UONOGXRCSA-N 0 3 387.492 0.862 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573679225 948160079 /nfs/dbraw/zinc/16/00/79/948160079.db2.gz JZGZIKNNAHBYGO-KGLIPLIRSA-N 0 3 387.492 0.862 20 0 GCADHN C[C@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCCCC1 ZINC001573679193 948160124 /nfs/dbraw/zinc/16/01/24/948160124.db2.gz JUCPYEWCYMDOLO-UONOGXRCSA-N 0 3 387.492 0.862 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573680214 948175405 /nfs/dbraw/zinc/17/54/05/948175405.db2.gz MSFQBRBMRWHLEL-XHDPSFHLSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573680214 948175408 /nfs/dbraw/zinc/17/54/08/948175408.db2.gz MSFQBRBMRWHLEL-XHDPSFHLSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573681024 948193363 /nfs/dbraw/zinc/19/33/63/948193363.db2.gz RRZBAZAAJWADQN-PSASIEDQSA-N 0 3 390.341 0.771 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573689927 948221273 /nfs/dbraw/zinc/22/12/73/948221273.db2.gz AMYXBXHPTVZLEB-KOLCDFICSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573689927 948221281 /nfs/dbraw/zinc/22/12/81/948221281.db2.gz AMYXBXHPTVZLEB-KOLCDFICSA-N 0 3 386.378 0.864 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573435724 948234326 /nfs/dbraw/zinc/23/43/26/948234326.db2.gz ZXYWEKFPOZRYDC-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573435724 948234333 /nfs/dbraw/zinc/23/43/33/948234333.db2.gz ZXYWEKFPOZRYDC-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)(F)F ZINC001573690918 948235030 /nfs/dbraw/zinc/23/50/30/948235030.db2.gz GWEMROOXNKEPGC-JOYOIKCWSA-N 0 3 386.378 0.864 20 0 GCADHN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)(F)F ZINC001573690918 948235040 /nfs/dbraw/zinc/23/50/40/948235040.db2.gz GWEMROOXNKEPGC-JOYOIKCWSA-N 0 3 386.378 0.864 20 0 GCADHN O=C(C[NH2+][C@@H](CO)C1CCOCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826412369 948252160 /nfs/dbraw/zinc/25/21/60/948252160.db2.gz LOXPTIKMBWHQDC-AWEZNQCLSA-N 0 3 380.836 0.836 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cccc1 ZINC001573692506 948265085 /nfs/dbraw/zinc/26/50/85/948265085.db2.gz PIBZVRAXJJBPNX-JSGCOSHPSA-N 0 3 387.419 0.635 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573693766 948287630 /nfs/dbraw/zinc/28/76/30/948287630.db2.gz SZUODAKIWAEYOU-KBPBESRZSA-N 0 3 388.476 0.415 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573442420 948293141 /nfs/dbraw/zinc/29/31/41/948293141.db2.gz IDLFDZLTVRQFBJ-INIZCTEOSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573442420 948293152 /nfs/dbraw/zinc/29/31/52/948293152.db2.gz IDLFDZLTVRQFBJ-INIZCTEOSA-N 0 3 385.472 0.721 20 0 GCADHN C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573694319 948294276 /nfs/dbraw/zinc/29/42/76/948294276.db2.gz CMOGRUVAOFFXEG-OPFPJEHXSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573694319 948294285 /nfs/dbraw/zinc/29/42/85/948294285.db2.gz CMOGRUVAOFFXEG-OPFPJEHXSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573446599 948331610 /nfs/dbraw/zinc/33/16/10/948331610.db2.gz JYTORKXXIMTKHB-MEDUHNTESA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573446599 948331620 /nfs/dbraw/zinc/33/16/20/948331620.db2.gz JYTORKXXIMTKHB-MEDUHNTESA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573706902 948426101 /nfs/dbraw/zinc/42/61/01/948426101.db2.gz MNDXSSHQPJDURK-HIFRSBDPSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573706902 948426109 /nfs/dbraw/zinc/42/61/09/948426109.db2.gz MNDXSSHQPJDURK-HIFRSBDPSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573706902 948426117 /nfs/dbraw/zinc/42/61/17/948426117.db2.gz MNDXSSHQPJDURK-HIFRSBDPSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573706902 948426123 /nfs/dbraw/zinc/42/61/23/948426123.db2.gz MNDXSSHQPJDURK-HIFRSBDPSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCCCC1 ZINC001573713630 948465723 /nfs/dbraw/zinc/46/57/23/948465723.db2.gz AMVLARXGJJIWJS-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1-c1nnn[n-]1)N1C(=O)CCC1=O ZINC001573715403 948489711 /nfs/dbraw/zinc/48/97/11/948489711.db2.gz VPXJGNLFFAAAED-LBPRGKRZSA-N 0 3 385.428 0.000 20 0 GCADHN C[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1-c1nn[n-]n1)N1C(=O)CCC1=O ZINC001573715403 948489717 /nfs/dbraw/zinc/48/97/17/948489717.db2.gz VPXJGNLFFAAAED-LBPRGKRZSA-N 0 3 385.428 0.000 20 0 GCADHN C[C@@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573717357 948505968 /nfs/dbraw/zinc/50/59/68/948505968.db2.gz LULOMGVOUITBQS-RYUDHWBXSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@@H](C(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCC(=O)N1 ZINC001573718702 948517571 /nfs/dbraw/zinc/51/75/71/948517571.db2.gz JIETUYRKUJKCDO-QMTHXVAHSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573726243 948547826 /nfs/dbraw/zinc/54/78/26/948547826.db2.gz GPNIAPDMWFPVIL-STQMWFEESA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573745930 948675469 /nfs/dbraw/zinc/67/54/69/948675469.db2.gz GXNJQGMJAZNICD-OBJOEFQTSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573745930 948675479 /nfs/dbraw/zinc/67/54/79/948675479.db2.gz GXNJQGMJAZNICD-OBJOEFQTSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573746030 948677167 /nfs/dbraw/zinc/67/71/67/948677167.db2.gz IHMGDEOKVKFGJQ-HONMWMINSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573749393 948701809 /nfs/dbraw/zinc/70/18/09/948701809.db2.gz ZMCNFNDJLVYTNF-WCFLWFBJSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573749393 948701812 /nfs/dbraw/zinc/70/18/12/948701812.db2.gz ZMCNFNDJLVYTNF-WCFLWFBJSA-N 0 3 378.458 0.037 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573752053 948710085 /nfs/dbraw/zinc/71/00/85/948710085.db2.gz KWOLSALRAXCBDX-RAEVTNRLSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573752053 948710091 /nfs/dbraw/zinc/71/00/91/948710091.db2.gz KWOLSALRAXCBDX-RAEVTNRLSA-N 0 3 383.456 0.518 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001575223249 948761025 /nfs/dbraw/zinc/76/10/25/948761025.db2.gz MBGAWBQKWSLXAT-ZDUSSCGKSA-N 0 3 380.399 0.869 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001575223249 948761035 /nfs/dbraw/zinc/76/10/35/948761035.db2.gz MBGAWBQKWSLXAT-ZDUSSCGKSA-N 0 3 380.399 0.869 20 0 GCADHN C[C@H](CNC(=O)CCc1ccn(C)n1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574916739 948787067 /nfs/dbraw/zinc/78/70/67/948787067.db2.gz IMHBQSSZOOKIQC-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1ccn(C)n1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574916739 948787079 /nfs/dbraw/zinc/78/70/79/948787079.db2.gz IMHBQSSZOOKIQC-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001575224532 948788481 /nfs/dbraw/zinc/78/84/81/948788481.db2.gz WZZFCJDQEXTSMC-CYBMUJFWSA-N 0 3 380.399 0.869 20 0 GCADHN CC(F)(F)C1(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001575224532 948788488 /nfs/dbraw/zinc/78/84/88/948788488.db2.gz WZZFCJDQEXTSMC-CYBMUJFWSA-N 0 3 380.399 0.869 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574916838 948795755 /nfs/dbraw/zinc/79/57/55/948795755.db2.gz KUVUKLXKEJAHCF-NSHDSACASA-N 0 3 387.423 0.361 20 0 GCADHN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917935 948828110 /nfs/dbraw/zinc/82/81/10/948828110.db2.gz CRYOZOCAVQMHEN-ZDUSSCGKSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917935 948828117 /nfs/dbraw/zinc/82/81/17/948828117.db2.gz CRYOZOCAVQMHEN-ZDUSSCGKSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917946 948834333 /nfs/dbraw/zinc/83/43/33/948834333.db2.gz CZCSFNSTKJWGQR-CYBMUJFWSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917946 948834345 /nfs/dbraw/zinc/83/43/45/948834345.db2.gz CZCSFNSTKJWGQR-CYBMUJFWSA-N 0 3 388.476 0.695 20 0 GCADHN CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)[NH+]1CCCC1 ZINC001573762003 948848103 /nfs/dbraw/zinc/84/81/03/948848103.db2.gz OAZSKHUAKKXBSD-UHFFFAOYSA-N 0 3 388.476 0.369 20 0 GCADHN C[C@H](CNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574919175 948866666 /nfs/dbraw/zinc/86/66/66/948866666.db2.gz VPPKAXFQARUKQG-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574919175 948866685 /nfs/dbraw/zinc/86/66/85/948866685.db2.gz VPPKAXFQARUKQG-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN CC(C)(C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)[NH+]1CCCC1 ZINC001573763963 948881605 /nfs/dbraw/zinc/88/16/05/948881605.db2.gz JJTPTIGSBHGDLM-ZDUSSCGKSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@@H](CNC(=O)CCc1nccn1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574920063 948881575 /nfs/dbraw/zinc/88/15/75/948881575.db2.gz BFGLUCSWGQJIQA-LBPRGKRZSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1nccn1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574920062 948882381 /nfs/dbraw/zinc/88/23/81/948882381.db2.gz BFGLUCSWGQJIQA-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1cncn1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574920862 948909464 /nfs/dbraw/zinc/90/94/64/948909464.db2.gz PRISGDZSRDGRIK-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)(C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[NH+]1CCCC1 ZINC001573765475 948913825 /nfs/dbraw/zinc/91/38/25/948913825.db2.gz JBDSTEXXHXTRLJ-UHFFFAOYSA-N 0 3 386.460 0.354 20 0 GCADHN CC(C)(C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[NH+]1CCCC1 ZINC001573765481 948914335 /nfs/dbraw/zinc/91/43/35/948914335.db2.gz JRXINAZOPGTRND-UHFFFAOYSA-N 0 3 385.476 0.570 20 0 GCADHN C[C@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574923261 948940792 /nfs/dbraw/zinc/94/07/92/948940792.db2.gz INZDGCDBRBZADE-CYBMUJFWSA-N 0 3 382.428 0.108 20 0 GCADHN C[C@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574923261 948940801 /nfs/dbraw/zinc/94/08/01/948940801.db2.gz INZDGCDBRBZADE-CYBMUJFWSA-N 0 3 382.428 0.108 20 0 GCADHN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574926188 948991472 /nfs/dbraw/zinc/99/14/72/948991472.db2.gz KFJBRAQWGILMJQ-GFCCVEGCSA-N 0 3 375.481 0.576 20 0 GCADHN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574926188 948991485 /nfs/dbraw/zinc/99/14/85/948991485.db2.gz KFJBRAQWGILMJQ-GFCCVEGCSA-N 0 3 375.481 0.576 20 0 GCADHN CC(C)c1nnnn1CC(=O)NCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574435036 948991660 /nfs/dbraw/zinc/99/16/60/948991660.db2.gz QDPGZDFITVHSPB-UHFFFAOYSA-N 0 3 384.448 0.225 20 0 GCADHN CC(C)c1nnnn1CC(=O)NCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574435036 948991667 /nfs/dbraw/zinc/99/16/67/948991667.db2.gz QDPGZDFITVHSPB-UHFFFAOYSA-N 0 3 384.448 0.225 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575243120 948992989 /nfs/dbraw/zinc/99/29/89/948992989.db2.gz NJLNTHPZJLMRBK-OCCSQVGLSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575243120 948993001 /nfs/dbraw/zinc/99/30/01/948993001.db2.gz NJLNTHPZJLMRBK-OCCSQVGLSA-N 0 3 379.440 0.842 20 0 GCADHN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(F)F ZINC001573774356 949009949 /nfs/dbraw/zinc/00/99/49/949009949.db2.gz NBMQRYIOCYLFJG-JTQLQIEISA-N 0 3 386.378 0.864 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574926954 949031718 /nfs/dbraw/zinc/03/17/18/949031718.db2.gz DGBCXXAWTUYBBV-JTQLQIEISA-N 0 3 375.408 0.126 20 0 GCADHN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(F)F ZINC001573775219 949035976 /nfs/dbraw/zinc/03/59/76/949035976.db2.gz UAGUBKONTNDADF-JTQLQIEISA-N 0 3 386.378 0.864 20 0 GCADHN CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(F)F ZINC001573775219 949035995 /nfs/dbraw/zinc/03/59/95/949035995.db2.gz UAGUBKONTNDADF-JTQLQIEISA-N 0 3 386.378 0.864 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574927564 949044432 /nfs/dbraw/zinc/04/44/32/949044432.db2.gz KFTDMFNEYRSCRZ-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574927564 949044413 /nfs/dbraw/zinc/04/44/13/949044413.db2.gz KFTDMFNEYRSCRZ-LLVKDONJSA-N 0 3 391.451 0.762 20 0 GCADHN CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)[NH+]1CCCC1 ZINC001573780207 949078949 /nfs/dbraw/zinc/07/89/49/949078949.db2.gz SNJUWMJDKGRSSD-CYBMUJFWSA-N 0 3 385.476 0.616 20 0 GCADHN CC(C)[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574694681 949086595 /nfs/dbraw/zinc/08/65/95/949086595.db2.gz ULMXKTGELNKYTL-FZMZJTMJSA-N 0 3 376.465 0.358 20 0 GCADHN CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+](C)C ZINC001574694682 949089301 /nfs/dbraw/zinc/08/93/01/949089301.db2.gz ULMXKTGELNKYTL-RISCZKNCSA-N 0 3 376.465 0.358 20 0 GCADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574929309 949092772 /nfs/dbraw/zinc/09/27/72/949092772.db2.gz CPSFBGCJNHOOGG-CYBMUJFWSA-N 0 3 388.476 0.537 20 0 GCADHN C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574929309 949092751 /nfs/dbraw/zinc/09/27/51/949092751.db2.gz CPSFBGCJNHOOGG-CYBMUJFWSA-N 0 3 388.476 0.537 20 0 GCADHN CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001574093587 949111910 /nfs/dbraw/zinc/11/19/10/949111910.db2.gz WDILZUKAEKRYFJ-GJZGRUSLSA-N 0 3 384.488 0.792 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574697535 949154682 /nfs/dbraw/zinc/15/46/82/949154682.db2.gz AVNSBKFFPGHLFJ-RYUDHWBXSA-N 0 3 380.474 0.236 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574697536 949156815 /nfs/dbraw/zinc/15/68/15/949156815.db2.gz AVNSBKFFPGHLFJ-VXGBXAGGSA-N 0 3 380.474 0.236 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574697953 949166103 /nfs/dbraw/zinc/16/61/03/949166103.db2.gz DLPJHRXCBFXSOT-GHMZBOCLSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574697954 949166667 /nfs/dbraw/zinc/16/66/67/949166667.db2.gz DLPJHRXCBFXSOT-MNOVXSKESA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)n1cncn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574698198 949179978 /nfs/dbraw/zinc/17/99/78/949179978.db2.gz HDKGWZWPXKGGAM-VXGBXAGGSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574935003 949189374 /nfs/dbraw/zinc/18/93/74/949189374.db2.gz WQLZIFYBHOJSMQ-ZDUSSCGKSA-N 0 3 384.444 0.411 20 0 GCADHN C[C@@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574935003 949189383 /nfs/dbraw/zinc/18/93/83/949189383.db2.gz WQLZIFYBHOJSMQ-ZDUSSCGKSA-N 0 3 384.444 0.411 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573788514 949195961 /nfs/dbraw/zinc/19/59/61/949195961.db2.gz LAENNBVGQZUBDQ-AWEZNQCLSA-N 0 3 385.472 0.705 20 0 GCADHN CC(C)(C(N)=O)C(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573788514 949195976 /nfs/dbraw/zinc/19/59/76/949195976.db2.gz LAENNBVGQZUBDQ-AWEZNQCLSA-N 0 3 385.472 0.705 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574698481 949196119 /nfs/dbraw/zinc/19/61/19/949196119.db2.gz LLPSQWKKFKQLLZ-NEPJUHHUSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H]1CCCC[C@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576153758 949295814 /nfs/dbraw/zinc/29/58/14/949295814.db2.gz AUQNOZUHKVKBQT-KZULUSFZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574703570 949335591 /nfs/dbraw/zinc/33/55/91/949335591.db2.gz WKCIIEHRGRROTI-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574703570 949335612 /nfs/dbraw/zinc/33/56/12/949335612.db2.gz WKCIIEHRGRROTI-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)C1=COCCO1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574703975 949359796 /nfs/dbraw/zinc/35/97/96/949359796.db2.gz IQMHGFZDUYQZSU-LLVKDONJSA-N 0 3 376.392 0.831 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573799636 949374471 /nfs/dbraw/zinc/37/44/71/949374471.db2.gz OJGAUXRIILNDCA-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574946002 949425895 /nfs/dbraw/zinc/42/58/95/949425895.db2.gz RNHWHWVRBSOTAB-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574946002 949425910 /nfs/dbraw/zinc/42/59/10/949425910.db2.gz RNHWHWVRBSOTAB-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H]1CCCC[C@]1(CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C(N)=O ZINC001576156003 949426681 /nfs/dbraw/zinc/42/66/81/949426681.db2.gz LCGXNSWSFMBCPW-BBATYDOGSA-N 0 3 389.435 0.646 20 0 GCADHN C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265561 949451502 /nfs/dbraw/zinc/45/15/02/949451502.db2.gz USWCLEBOXGDOGU-NEPJUHHUSA-N 0 3 375.502 0.816 20 0 GCADHN C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265561 949451513 /nfs/dbraw/zinc/45/15/13/949451513.db2.gz USWCLEBOXGDOGU-NEPJUHHUSA-N 0 3 375.502 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574708248 949487327 /nfs/dbraw/zinc/48/73/27/949487327.db2.gz UTLBVXSYNXKPOC-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574708248 949487338 /nfs/dbraw/zinc/48/73/38/949487338.db2.gz UTLBVXSYNXKPOC-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@H]1CCCC[C@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576158171 949496473 /nfs/dbraw/zinc/49/64/73/949496473.db2.gz SMYNHSNOZHFGJC-KPZWWZAWSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574710712 949510842 /nfs/dbraw/zinc/51/08/42/949510842.db2.gz AJOXGQKXEPWVJV-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)n1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574470740 949513687 /nfs/dbraw/zinc/51/36/87/949513687.db2.gz TWSNPCUVHZUIQT-HNNXBMFYSA-N 0 3 384.444 0.525 20 0 GCADHN CC(C)n1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574470740 949513710 /nfs/dbraw/zinc/51/37/10/949513710.db2.gz TWSNPCUVHZUIQT-HNNXBMFYSA-N 0 3 384.444 0.525 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574710713 949513934 /nfs/dbraw/zinc/51/39/34/949513934.db2.gz AJOXGQKXEPWVJV-CZUORRHYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576164231 949551658 /nfs/dbraw/zinc/55/16/58/949551658.db2.gz FKCPFZHIFBIPCT-OCCSQVGLSA-N 0 3 388.476 0.599 20 0 GCADHN C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576164231 949551682 /nfs/dbraw/zinc/55/16/82/949551682.db2.gz FKCPFZHIFBIPCT-OCCSQVGLSA-N 0 3 388.476 0.599 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574711865 949562603 /nfs/dbraw/zinc/56/26/03/949562603.db2.gz NJIGDPPLIFXFRP-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574711865 949562611 /nfs/dbraw/zinc/56/26/11/949562611.db2.gz NJIGDPPLIFXFRP-NEPJUHHUSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574712441 949578500 /nfs/dbraw/zinc/57/85/00/949578500.db2.gz SKORCFMOPYWKJI-TVQRCGJNSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574712441 949578514 /nfs/dbraw/zinc/57/85/14/949578514.db2.gz SKORCFMOPYWKJI-TVQRCGJNSA-N 0 3 377.380 0.051 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCNC(N)=O ZINC001573810822 949581460 /nfs/dbraw/zinc/58/14/60/949581460.db2.gz DLEXHDVZJXKOIE-AWEZNQCLSA-N 0 3 388.476 0.546 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCNC(N)=O ZINC001573810822 949581479 /nfs/dbraw/zinc/58/14/79/949581479.db2.gz DLEXHDVZJXKOIE-AWEZNQCLSA-N 0 3 388.476 0.546 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1cncn1 ZINC001573811035 949584394 /nfs/dbraw/zinc/58/43/94/949584394.db2.gz GZTDLQRCZOGYHO-OAHLLOKOSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1cncn1 ZINC001573811035 949584407 /nfs/dbraw/zinc/58/44/07/949584407.db2.gz GZTDLQRCZOGYHO-OAHLLOKOSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)Cn1cncn1 ZINC001573810949 949587395 /nfs/dbraw/zinc/58/73/95/949587395.db2.gz FWUBIKLLULYBGX-OAHLLOKOSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)Cn1cncn1 ZINC001573810949 949587413 /nfs/dbraw/zinc/58/74/13/949587413.db2.gz FWUBIKLLULYBGX-OAHLLOKOSA-N 0 3 383.460 0.779 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811362 949599413 /nfs/dbraw/zinc/59/94/13/949599413.db2.gz LAHCNMOLHISZJG-CABCVRRESA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573811362 949599431 /nfs/dbraw/zinc/59/94/31/949599431.db2.gz LAHCNMOLHISZJG-CABCVRRESA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)Cn1cnnn1 ZINC001573811869 949609824 /nfs/dbraw/zinc/60/98/24/949609824.db2.gz ORMMMHLHSNSHOA-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)Cn1cnnn1 ZINC001573811869 949609835 /nfs/dbraw/zinc/60/98/35/949609835.db2.gz ORMMMHLHSNSHOA-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575271070 949611448 /nfs/dbraw/zinc/61/14/48/949611448.db2.gz HVCRDHAZFBVXOQ-SWLSCSKDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575271070 949611457 /nfs/dbraw/zinc/61/14/57/949611457.db2.gz HVCRDHAZFBVXOQ-SWLSCSKDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574713864 949614333 /nfs/dbraw/zinc/61/43/33/949614333.db2.gz YQIJMTZLWPFLRU-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574713864 949614342 /nfs/dbraw/zinc/61/43/42/949614342.db2.gz YQIJMTZLWPFLRU-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874696 949619157 /nfs/dbraw/zinc/61/91/57/949619157.db2.gz UDZVHLCRYCWPQK-NEPJUHHUSA-N 0 3 384.444 0.010 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575271774 949627847 /nfs/dbraw/zinc/62/78/47/949627847.db2.gz LYVCAACYSYNHBK-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575271774 949627855 /nfs/dbraw/zinc/62/78/55/949627855.db2.gz LYVCAACYSYNHBK-OLZOCXBDSA-N 0 3 388.476 0.503 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1cnnn1 ZINC001573813334 949630494 /nfs/dbraw/zinc/63/04/94/949630494.db2.gz YIVZEFDWZYLDGS-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1cnnn1 ZINC001573813334 949630501 /nfs/dbraw/zinc/63/05/01/949630501.db2.gz YIVZEFDWZYLDGS-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574714553 949631734 /nfs/dbraw/zinc/63/17/34/949631734.db2.gz FHHZMMPXAXQVQP-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576168436 949634255 /nfs/dbraw/zinc/63/42/55/949634255.db2.gz ULYUOAJISXNYLZ-BNOWGMLFSA-N 0 3 386.460 0.446 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715182 949646267 /nfs/dbraw/zinc/64/62/67/949646267.db2.gz HJALMNKYMVOZDU-KBPBESRZSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715182 949646284 /nfs/dbraw/zinc/64/62/84/949646284.db2.gz HJALMNKYMVOZDU-KBPBESRZSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCC(=O)NC1 ZINC001575547997 949651256 /nfs/dbraw/zinc/65/12/56/949651256.db2.gz LTFUJCMHFNNPGK-BEFAXECRSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCC(=O)NC1 ZINC001575547997 949651269 /nfs/dbraw/zinc/65/12/69/949651269.db2.gz LTFUJCMHFNNPGK-BEFAXECRSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCC(=O)NC1 ZINC001575547998 949651459 /nfs/dbraw/zinc/65/14/59/949651459.db2.gz LTFUJCMHFNNPGK-DNVCBOLYSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCC(=O)NC1 ZINC001575547998 949651473 /nfs/dbraw/zinc/65/14/73/949651473.db2.gz LTFUJCMHFNNPGK-DNVCBOLYSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575273857 949674934 /nfs/dbraw/zinc/67/49/34/949674934.db2.gz YNOYZDTWJLPCQZ-SWLSCSKDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575273857 949674945 /nfs/dbraw/zinc/67/49/45/949674945.db2.gz YNOYZDTWJLPCQZ-SWLSCSKDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575273853 949675025 /nfs/dbraw/zinc/67/50/25/949675025.db2.gz YNOYZDTWJLPCQZ-DOMZBBRYSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575273853 949675037 /nfs/dbraw/zinc/67/50/37/949675037.db2.gz YNOYZDTWJLPCQZ-DOMZBBRYSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001576169352 949677320 /nfs/dbraw/zinc/67/73/20/949677320.db2.gz GUCLWPSFZXBMCA-STQMWFEESA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574716070 949680833 /nfs/dbraw/zinc/68/08/33/949680833.db2.gz LVLHMZKGVBKRIB-DZGCQCFKSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574716070 949680845 /nfs/dbraw/zinc/68/08/45/949680845.db2.gz LVLHMZKGVBKRIB-DZGCQCFKSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574716461 949698632 /nfs/dbraw/zinc/69/86/32/949698632.db2.gz OZACHMRTKZEVNI-CJNGLKHVSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574716790 949707718 /nfs/dbraw/zinc/70/77/18/949707718.db2.gz LYMMEQBBXJQQPL-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574716790 949707731 /nfs/dbraw/zinc/70/77/31/949707731.db2.gz LYMMEQBBXJQQPL-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574478789 949718104 /nfs/dbraw/zinc/71/81/04/949718104.db2.gz AQXHPDFZMWTFPA-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574478789 949718118 /nfs/dbraw/zinc/71/81/18/949718118.db2.gz AQXHPDFZMWTFPA-OCCSQVGLSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881500 949723612 /nfs/dbraw/zinc/72/36/12/949723612.db2.gz YQYCFQSGUMBTDR-FZMZJTMJSA-N 0 3 376.440 0.826 20 0 GCADHN C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881500 949723631 /nfs/dbraw/zinc/72/36/31/949723631.db2.gz YQYCFQSGUMBTDR-FZMZJTMJSA-N 0 3 376.440 0.826 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574960376 949726452 /nfs/dbraw/zinc/72/64/52/949726452.db2.gz WPUXDXBXAKFXBE-OAUYIBNBSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574960376 949726462 /nfs/dbraw/zinc/72/64/62/949726462.db2.gz WPUXDXBXAKFXBE-OAUYIBNBSA-N 0 3 380.456 0.998 20 0 GCADHN C[C@@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574717264 949726544 /nfs/dbraw/zinc/72/65/44/949726544.db2.gz UTBRIOJKMMHFMX-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574717264 949726555 /nfs/dbraw/zinc/72/65/55/949726555.db2.gz UTBRIOJKMMHFMX-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H]1[C@H](NC(=O)Cn2cncn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575882007 949747917 /nfs/dbraw/zinc/74/79/17/949747917.db2.gz FEPGMAXHSIFRLI-XJKSGUPXSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574963309 949750521 /nfs/dbraw/zinc/75/05/21/949750521.db2.gz IEOLRYMNYQGILT-RTXFEEFZSA-N 0 3 389.435 0.502 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574963309 949750528 /nfs/dbraw/zinc/75/05/28/949750528.db2.gz IEOLRYMNYQGILT-RTXFEEFZSA-N 0 3 389.435 0.502 20 0 GCADHN C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576171291 949756934 /nfs/dbraw/zinc/75/69/34/949756934.db2.gz QDDNCFGGPBHWLA-BBRMVZONSA-N 0 3 381.444 0.619 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574964150 949762941 /nfs/dbraw/zinc/76/29/41/949762941.db2.gz QUMHHYBFXSICPY-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574964150 949762955 /nfs/dbraw/zinc/76/29/55/949762955.db2.gz QUMHHYBFXSICPY-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574964150 949762978 /nfs/dbraw/zinc/76/29/78/949762978.db2.gz QUMHHYBFXSICPY-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574964150 949763004 /nfs/dbraw/zinc/76/30/04/949763004.db2.gz QUMHHYBFXSICPY-XQQFMLRXSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481117 949770398 /nfs/dbraw/zinc/77/03/98/949770398.db2.gz MPSGGMNIBAMGHS-GWCFXTLKSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481117 949770408 /nfs/dbraw/zinc/77/04/08/949770408.db2.gz MPSGGMNIBAMGHS-GWCFXTLKSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574964448 949773808 /nfs/dbraw/zinc/77/38/08/949773808.db2.gz WTMLCTADCBKUKW-IINYFYTJSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574964448 949773826 /nfs/dbraw/zinc/77/38/26/949773826.db2.gz WTMLCTADCBKUKW-IINYFYTJSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574964326 949773932 /nfs/dbraw/zinc/77/39/32/949773932.db2.gz UJBSXDSMVVHVQW-QMTHXVAHSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574718381 949775913 /nfs/dbraw/zinc/77/59/13/949775913.db2.gz VZVPUEIVGVYEKL-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575882882 949798455 /nfs/dbraw/zinc/79/84/55/949798455.db2.gz BKCBLLJCUBYLDD-WCQYABFASA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575882882 949798475 /nfs/dbraw/zinc/79/84/75/949798475.db2.gz BKCBLLJCUBYLDD-WCQYABFASA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575281218 949803826 /nfs/dbraw/zinc/80/38/26/949803826.db2.gz DWBREIQNPWYBAH-NEPJUHHUSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575281218 949803850 /nfs/dbraw/zinc/80/38/50/949803850.db2.gz DWBREIQNPWYBAH-NEPJUHHUSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482002 949812793 /nfs/dbraw/zinc/81/27/93/949812793.db2.gz YMUXJTRNKZVUKF-CMPLNLGQSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574482002 949812814 /nfs/dbraw/zinc/81/28/14/949812814.db2.gz YMUXJTRNKZVUKF-CMPLNLGQSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575281802 949819657 /nfs/dbraw/zinc/81/96/57/949819657.db2.gz HIMPZLKIHYOXBO-PKSQDBQZSA-N 0 3 386.460 0.302 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CCC[NH+](C)C ZINC001575884004 949836071 /nfs/dbraw/zinc/83/60/71/949836071.db2.gz UDOZYTXVZWVQCS-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CCC[NH+](C)C ZINC001575884004 949836100 /nfs/dbraw/zinc/83/61/00/949836100.db2.gz UDOZYTXVZWVQCS-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574723714 949858007 /nfs/dbraw/zinc/85/80/07/949858007.db2.gz CACJSVHXYGKIRY-CYBMUJFWSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H](CN(C)C(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574723714 949858030 /nfs/dbraw/zinc/85/80/30/949858030.db2.gz CACJSVHXYGKIRY-CYBMUJFWSA-N 0 3 385.472 0.672 20 0 GCADHN CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574967262 949865348 /nfs/dbraw/zinc/86/53/48/949865348.db2.gz FXZYTYWZOMGFIS-NWDGAFQWSA-N 0 3 376.465 0.406 20 0 GCADHN CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574967264 949868263 /nfs/dbraw/zinc/86/82/63/949868263.db2.gz FXZYTYWZOMGFIS-VXGBXAGGSA-N 0 3 376.465 0.406 20 0 GCADHN C[C@H](CNC(=O)c1c2c(nn1C)CCC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574967281 949871390 /nfs/dbraw/zinc/87/13/90/949871390.db2.gz GKOGFTTUQNUYPI-GFCCVEGCSA-N 0 3 380.456 0.997 20 0 GCADHN C[C@H](CNC(=O)c1c2c(nn1C)CCC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574967281 949871408 /nfs/dbraw/zinc/87/14/08/949871408.db2.gz GKOGFTTUQNUYPI-GFCCVEGCSA-N 0 3 380.456 0.997 20 0 GCADHN C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574724841 949876795 /nfs/dbraw/zinc/87/67/95/949876795.db2.gz KMAJFVXOGAAMCL-LBPRGKRZSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574724841 949876815 /nfs/dbraw/zinc/87/68/15/949876815.db2.gz KMAJFVXOGAAMCL-LBPRGKRZSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001574968124 949886920 /nfs/dbraw/zinc/88/69/20/949886920.db2.gz LTNSFLFDFHGWLV-AAEUAGOBSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574725645 949903478 /nfs/dbraw/zinc/90/34/78/949903478.db2.gz UQRJFTLBSKSWPM-LBPRGKRZSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574725645 949903499 /nfs/dbraw/zinc/90/34/99/949903499.db2.gz UQRJFTLBSKSWPM-LBPRGKRZSA-N 0 3 375.481 0.893 20 0 GCADHN C[C@@H](CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001574487647 949933195 /nfs/dbraw/zinc/93/31/95/949933195.db2.gz APFCHPYUFAAHFP-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](CC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001574487647 949933204 /nfs/dbraw/zinc/93/32/04/949933204.db2.gz APFCHPYUFAAHFP-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574487719 949936104 /nfs/dbraw/zinc/93/61/04/949936104.db2.gz BJLDCQKUBVCLNJ-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@@H](CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574487719 949936124 /nfs/dbraw/zinc/93/61/24/949936124.db2.gz BJLDCQKUBVCLNJ-QWRGUYRKSA-N 0 3 392.439 0.389 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574972506 949937517 /nfs/dbraw/zinc/93/75/17/949937517.db2.gz CGENHLGKYVIOCI-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001574972506 949937544 /nfs/dbraw/zinc/93/75/44/949937544.db2.gz CGENHLGKYVIOCI-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574972506 949937568 /nfs/dbraw/zinc/93/75/68/949937568.db2.gz CGENHLGKYVIOCI-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001574972506 949937589 /nfs/dbraw/zinc/93/75/89/949937589.db2.gz CGENHLGKYVIOCI-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574488097 949941818 /nfs/dbraw/zinc/94/18/18/949941818.db2.gz DJFDKRLDRGKORE-LALPHHSUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574488097 949941834 /nfs/dbraw/zinc/94/18/34/949941834.db2.gz DJFDKRLDRGKORE-LALPHHSUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574488422 949946003 /nfs/dbraw/zinc/94/60/03/949946003.db2.gz FRBVYSJPCOKQKA-TYNCELHUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574488422 949946025 /nfs/dbraw/zinc/94/60/25/949946025.db2.gz FRBVYSJPCOKQKA-TYNCELHUSA-N 0 3 386.460 0.250 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574489330 949958007 /nfs/dbraw/zinc/95/80/07/949958007.db2.gz INQCKMKIQXUXAW-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574489330 949958013 /nfs/dbraw/zinc/95/80/13/949958013.db2.gz INQCKMKIQXUXAW-ABAIWWIYSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574727272 949959400 /nfs/dbraw/zinc/95/94/00/949959400.db2.gz RDEHPVCHFNTEAV-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574727285 949959492 /nfs/dbraw/zinc/95/94/92/949959492.db2.gz RHGAJSPWNJPXLN-WFASDCNBSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576180868 949975959 /nfs/dbraw/zinc/97/59/59/949975959.db2.gz JWYQMALADAEZDG-IUODEOHRSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)CC[NH+](C)C ZINC001576180868 949975978 /nfs/dbraw/zinc/97/59/78/949975978.db2.gz JWYQMALADAEZDG-IUODEOHRSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576180952 949981172 /nfs/dbraw/zinc/98/11/72/949981172.db2.gz GEDKJHHCIUMPBZ-CHWSQXEVSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576180952 949981185 /nfs/dbraw/zinc/98/11/85/949981185.db2.gz GEDKJHHCIUMPBZ-CHWSQXEVSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575572879 949982033 /nfs/dbraw/zinc/98/20/33/949982033.db2.gz IVLIDWRBAQSEEB-SCLBCKFNSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576180997 949985786 /nfs/dbraw/zinc/98/57/86/949985786.db2.gz GJMUHRFIULQYCD-OCCSQVGLSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576180997 949985804 /nfs/dbraw/zinc/98/58/04/949985804.db2.gz GJMUHRFIULQYCD-OCCSQVGLSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574727785 949986192 /nfs/dbraw/zinc/98/61/92/949986192.db2.gz ZNIGNDNCQLIHRD-TZMCWYRMSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574727785 949986210 /nfs/dbraw/zinc/98/62/10/949986210.db2.gz ZNIGNDNCQLIHRD-TZMCWYRMSA-N 0 3 392.435 0.748 20 0 GCADHN CC(C)C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574148459 949986472 /nfs/dbraw/zinc/98/64/72/949986472.db2.gz NPTBXCKNVKOCPO-LBPRGKRZSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574148459 949986492 /nfs/dbraw/zinc/98/64/92/949986492.db2.gz NPTBXCKNVKOCPO-LBPRGKRZSA-N 0 3 376.465 0.407 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1cncn1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574728670 950000193 /nfs/dbraw/zinc/00/01/93/950000193.db2.gz GSJKLJIPSRWWAU-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1cncn1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574728670 950000214 /nfs/dbraw/zinc/00/02/14/950000214.db2.gz GSJKLJIPSRWWAU-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576181386 950001434 /nfs/dbraw/zinc/00/14/34/950001434.db2.gz HVSGJCSVNAPOCG-CYBMUJFWSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576181386 950001455 /nfs/dbraw/zinc/00/14/55/950001455.db2.gz HVSGJCSVNAPOCG-CYBMUJFWSA-N 0 3 388.476 0.409 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[NH+](C)C ZINC001574149165 950002657 /nfs/dbraw/zinc/00/26/57/950002657.db2.gz UHAXIEYUNMOQJP-CYBMUJFWSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[NH+](C)C ZINC001574149165 950002672 /nfs/dbraw/zinc/00/26/72/950002672.db2.gz UHAXIEYUNMOQJP-CYBMUJFWSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[NH+](C)C ZINC001574149542 950008050 /nfs/dbraw/zinc/00/80/50/950008050.db2.gz WBECGNGNHOHDGI-ZDUSSCGKSA-N 0 3 376.465 0.407 20 0 GCADHN CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[NH+](C)C ZINC001574149542 950008075 /nfs/dbraw/zinc/00/80/75/950008075.db2.gz WBECGNGNHOHDGI-ZDUSSCGKSA-N 0 3 376.465 0.407 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1ccn(C)n1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574728839 950011515 /nfs/dbraw/zinc/01/15/15/950011515.db2.gz KTHSMFBFCAGRDF-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CN(C)C(=O)Cc1ccn(C)n1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574728839 950011536 /nfs/dbraw/zinc/01/15/36/950011536.db2.gz KTHSMFBFCAGRDF-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1ncn(C)n1 ZINC001574150835 950040838 /nfs/dbraw/zinc/04/08/38/950040838.db2.gz FCZPYXSTTZWRNL-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1ncn(C)n1 ZINC001574150835 950040859 /nfs/dbraw/zinc/04/08/59/950040859.db2.gz FCZPYXSTTZWRNL-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574975747 950041234 /nfs/dbraw/zinc/04/12/34/950041234.db2.gz ZKSSDLLCWXWLKB-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001574975747 950041256 /nfs/dbraw/zinc/04/12/56/950041256.db2.gz ZKSSDLLCWXWLKB-CJNGLKHVSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574975748 950044585 /nfs/dbraw/zinc/04/45/85/950044585.db2.gz ZKSSDLLCWXWLKB-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574975748 950044608 /nfs/dbraw/zinc/04/46/08/950044608.db2.gz ZKSSDLLCWXWLKB-CZUORRHYSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574731386 950049627 /nfs/dbraw/zinc/04/96/27/950049627.db2.gz CVYVSJHPKUIEQF-YGRLFVJLSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001575892142 950054219 /nfs/dbraw/zinc/05/42/19/950054219.db2.gz SBPVIMZZWSWOCX-DGCLKSJQSA-N 0 3 386.460 0.256 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cnn(C)n1 ZINC001574151142 950058831 /nfs/dbraw/zinc/05/88/31/950058831.db2.gz LTKOUTORAUTVBE-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cnn(C)n1 ZINC001574151142 950058857 /nfs/dbraw/zinc/05/88/57/950058857.db2.gz LTKOUTORAUTVBE-HNNXBMFYSA-N 0 3 383.460 0.930 20 0 GCADHN C[C@@H](CC(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1)NC(N)=O ZINC001574492159 950067289 /nfs/dbraw/zinc/06/72/89/950067289.db2.gz JYRRXDFVFZFBTL-LBPRGKRZSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575576545 950069542 /nfs/dbraw/zinc/06/95/42/950069542.db2.gz QWOGUDGWKAQRIM-FZKQIMNGSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575576545 950069559 /nfs/dbraw/zinc/06/95/59/950069559.db2.gz QWOGUDGWKAQRIM-FZKQIMNGSA-N 0 3 392.435 0.389 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574151305 950070697 /nfs/dbraw/zinc/07/06/97/950070697.db2.gz OZTWDNZNWLKROJ-GJZGRUSLSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574151305 950070715 /nfs/dbraw/zinc/07/07/15/950070715.db2.gz OZTWDNZNWLKROJ-GJZGRUSLSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)c1nccn1CC(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574732781 950074494 /nfs/dbraw/zinc/07/44/94/950074494.db2.gz KRHAVAQDQMETFI-CYBMUJFWSA-N 0 3 383.460 0.963 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1nnn(C)n1 ZINC001574151518 950078729 /nfs/dbraw/zinc/07/87/29/950078729.db2.gz UHWNNOXAJOXCFK-AWEZNQCLSA-N 0 3 384.448 0.325 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1nnn(C)n1 ZINC001574151518 950078749 /nfs/dbraw/zinc/07/87/49/950078749.db2.gz UHWNNOXAJOXCFK-AWEZNQCLSA-N 0 3 384.448 0.325 20 0 GCADHN C[C@@H](CC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574492475 950087849 /nfs/dbraw/zinc/08/78/49/950087849.db2.gz NFWXMYXDMMVMQE-ZOODHJKOSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574492475 950087870 /nfs/dbraw/zinc/08/78/70/950087870.db2.gz NFWXMYXDMMVMQE-ZOODHJKOSA-N 0 3 386.460 0.298 20 0 GCADHN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001575577919 950087993 /nfs/dbraw/zinc/08/79/93/950087993.db2.gz YGVRPRSBTARGQC-ZDUSSCGKSA-N 0 3 380.399 0.869 20 0 GCADHN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001575577919 950088012 /nfs/dbraw/zinc/08/80/12/950088012.db2.gz YGVRPRSBTARGQC-ZDUSSCGKSA-N 0 3 380.399 0.869 20 0 GCADHN C[C@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574733221 950101937 /nfs/dbraw/zinc/10/19/37/950101937.db2.gz WBDFSNOPYDOUEB-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574733221 950101941 /nfs/dbraw/zinc/10/19/41/950101941.db2.gz WBDFSNOPYDOUEB-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574152595 950111045 /nfs/dbraw/zinc/11/10/45/950111045.db2.gz HECDDUUILUTZHS-GDBMZVCRSA-N 0 3 385.472 0.766 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574152595 950111064 /nfs/dbraw/zinc/11/10/64/950111064.db2.gz HECDDUUILUTZHS-GDBMZVCRSA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574734252 950133186 /nfs/dbraw/zinc/13/31/86/950133186.db2.gz LKEXILULXPCSHI-XHDPSFHLSA-N 0 3 389.435 0.563 20 0 GCADHN CC(C)[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574493842 950143349 /nfs/dbraw/zinc/14/33/49/950143349.db2.gz IEDJQXAKNFZPES-IUODEOHRSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574493842 950143367 /nfs/dbraw/zinc/14/33/67/950143367.db2.gz IEDJQXAKNFZPES-IUODEOHRSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574153549 950148579 /nfs/dbraw/zinc/14/85/79/950148579.db2.gz VAJUJBWXIYMXJF-ZFWWWQNUSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574153549 950148591 /nfs/dbraw/zinc/14/85/91/950148591.db2.gz VAJUJBWXIYMXJF-ZFWWWQNUSA-N 0 3 386.460 0.169 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574738080 950163094 /nfs/dbraw/zinc/16/30/94/950163094.db2.gz BRGGRWRXOMGOOY-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574738080 950163100 /nfs/dbraw/zinc/16/31/00/950163100.db2.gz BRGGRWRXOMGOOY-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C[NH2+]Cc1cnns1 ZINC001576190700 950166968 /nfs/dbraw/zinc/16/69/68/950166968.db2.gz DFRVMQFJCJBHRZ-JQWIXIFHSA-N 0 3 387.473 0.934 20 0 GCADHN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574154750 950179608 /nfs/dbraw/zinc/17/96/08/950179608.db2.gz HBLGRCCVNBAJIL-KGLIPLIRSA-N 0 3 387.492 0.941 20 0 GCADHN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001574154750 950179621 /nfs/dbraw/zinc/17/96/21/950179621.db2.gz HBLGRCCVNBAJIL-KGLIPLIRSA-N 0 3 387.492 0.941 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576191016 950180253 /nfs/dbraw/zinc/18/02/53/950180253.db2.gz FYHBWXONWOFSIW-TZMCWYRMSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001576191016 950180261 /nfs/dbraw/zinc/18/02/61/950180261.db2.gz FYHBWXONWOFSIW-TZMCWYRMSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H](CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)n1ccnc1 ZINC001574494844 950187873 /nfs/dbraw/zinc/18/78/73/950187873.db2.gz PDJCRGLVDHKHLZ-WBMJQRKESA-N 0 3 381.444 0.838 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574739518 950194665 /nfs/dbraw/zinc/19/46/65/950194665.db2.gz QUTRXRNMWQTZCR-JTQLQIEISA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H]1[C@@H]([NH2+]CC(=O)NC2CCCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900659 950202462 /nfs/dbraw/zinc/20/24/62/950202462.db2.gz HCHJPHBLXYOBKU-FZMZJTMJSA-N 0 3 386.460 0.446 20 0 GCADHN C[C@H]1[C@H]([NH2+]CC(=O)NC2CCCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900661 950202900 /nfs/dbraw/zinc/20/29/00/950202900.db2.gz HCHJPHBLXYOBKU-SMDDNHRTSA-N 0 3 386.460 0.446 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191954 950218562 /nfs/dbraw/zinc/21/85/62/950218562.db2.gz KUZUVSGALKWOMT-SWLSCSKDSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]Cc1cnn(C)c1 ZINC001576191954 950218581 /nfs/dbraw/zinc/21/85/81/950218581.db2.gz KUZUVSGALKWOMT-SWLSCSKDSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574740019 950219264 /nfs/dbraw/zinc/21/92/64/950219264.db2.gz BAEKWALFQUFSPX-ZMZPIMSZSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C[NH2+]CCn1cccn1 ZINC001576191989 950219383 /nfs/dbraw/zinc/21/93/83/950219383.db2.gz KYFATSZZCCKHLT-ZFWWWQNUSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C[NH2+]CCn1cccn1 ZINC001576191989 950219404 /nfs/dbraw/zinc/21/94/04/950219404.db2.gz KYFATSZZCCKHLT-ZFWWWQNUSA-N 0 3 383.460 0.779 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574740231 950223594 /nfs/dbraw/zinc/22/35/94/950223594.db2.gz CITPOGXWVPZDPA-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574740231 950223616 /nfs/dbraw/zinc/22/36/16/950223616.db2.gz CITPOGXWVPZDPA-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574740231 950223638 /nfs/dbraw/zinc/22/36/38/950223638.db2.gz CITPOGXWVPZDPA-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574740231 950223658 /nfs/dbraw/zinc/22/36/58/950223658.db2.gz CITPOGXWVPZDPA-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC001574983548 950226332 /nfs/dbraw/zinc/22/63/32/950226332.db2.gz PHRYVYORXOUTTC-OLZOCXBDSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC001574983548 950226350 /nfs/dbraw/zinc/22/63/50/950226350.db2.gz PHRYVYORXOUTTC-OLZOCXBDSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576192143 950226704 /nfs/dbraw/zinc/22/67/04/950226704.db2.gz LXKMKVUPIOJNKR-STQMWFEESA-N 0 3 386.460 0.115 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccn1 ZINC001574497672 950235908 /nfs/dbraw/zinc/23/59/08/950235908.db2.gz ATLYFDIIHKOGDJ-ZFWWWQNUSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cccn1 ZINC001574497672 950235922 /nfs/dbraw/zinc/23/59/22/950235922.db2.gz ATLYFDIIHKOGDJ-ZFWWWQNUSA-N 0 3 384.444 0.281 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576192317 950237387 /nfs/dbraw/zinc/23/73/87/950237387.db2.gz NIGFAXPVHYZPFQ-CHWSQXEVSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C[NH2+]Cc1ccnn1C ZINC001576192317 950237406 /nfs/dbraw/zinc/23/74/06/950237406.db2.gz NIGFAXPVHYZPFQ-CHWSQXEVSA-N 0 3 383.460 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001574741602 950249049 /nfs/dbraw/zinc/24/90/49/950249049.db2.gz JXIKNXNGXIFRQA-GFCCVEGCSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574741754 950252460 /nfs/dbraw/zinc/25/24/60/950252460.db2.gz CAJUPPQLGZLDCI-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574741754 950252474 /nfs/dbraw/zinc/25/24/74/950252474.db2.gz CAJUPPQLGZLDCI-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574741754 950252488 /nfs/dbraw/zinc/25/24/88/950252488.db2.gz CAJUPPQLGZLDCI-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574741754 950252504 /nfs/dbraw/zinc/25/25/04/950252504.db2.gz CAJUPPQLGZLDCI-AVGNSLFASA-N 0 3 388.476 0.502 20 0 GCADHN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1ccnc1 ZINC001574157751 950252588 /nfs/dbraw/zinc/25/25/88/950252588.db2.gz HVJXTBUTJCYWPO-AWEZNQCLSA-N 0 3 383.460 0.913 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574741753 950254581 /nfs/dbraw/zinc/25/45/81/950254581.db2.gz CAJUPPQLGZLDCI-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574741753 950254605 /nfs/dbraw/zinc/25/46/05/950254605.db2.gz CAJUPPQLGZLDCI-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574741753 950254625 /nfs/dbraw/zinc/25/46/25/950254625.db2.gz CAJUPPQLGZLDCI-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574741753 950254645 /nfs/dbraw/zinc/25/46/45/950254645.db2.gz CAJUPPQLGZLDCI-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576192610 950256022 /nfs/dbraw/zinc/25/60/22/950256022.db2.gz NZLCAJJOKIODJH-TZMCWYRMSA-N 0 3 381.444 0.873 20 0 GCADHN C[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576192610 950256037 /nfs/dbraw/zinc/25/60/37/950256037.db2.gz NZLCAJJOKIODJH-TZMCWYRMSA-N 0 3 381.444 0.873 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573849871 950265042 /nfs/dbraw/zinc/26/50/42/950265042.db2.gz DJAGOJNQRUSGFN-LBPRGKRZSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001574984418 950271100 /nfs/dbraw/zinc/27/11/00/950271100.db2.gz ZJQMJPFFKJJXQT-FZMZJTMJSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001574984418 950271117 /nfs/dbraw/zinc/27/11/17/950271117.db2.gz ZJQMJPFFKJJXQT-FZMZJTMJSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)C1 ZINC001576192841 950272060 /nfs/dbraw/zinc/27/20/60/950272060.db2.gz PXUHERILAOCJJQ-DOMZBBRYSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)C1 ZINC001576192841 950272082 /nfs/dbraw/zinc/27/20/82/950272082.db2.gz PXUHERILAOCJJQ-DOMZBBRYSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575903271 950276946 /nfs/dbraw/zinc/27/69/46/950276946.db2.gz ZFFLYDSIOINMJG-ZJGDRNRASA-N 0 3 386.431 0.977 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575903271 950276960 /nfs/dbraw/zinc/27/69/60/950276960.db2.gz ZFFLYDSIOINMJG-ZJGDRNRASA-N 0 3 386.431 0.977 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573850901 950284035 /nfs/dbraw/zinc/28/40/35/950284035.db2.gz OAIADDQUYPCDBV-YPMHNXCESA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573850901 950284042 /nfs/dbraw/zinc/28/40/42/950284042.db2.gz OAIADDQUYPCDBV-YPMHNXCESA-N 0 3 388.476 0.598 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574742584 950293537 /nfs/dbraw/zinc/29/35/37/950293537.db2.gz PMEILHJFJLRMLV-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574742584 950293559 /nfs/dbraw/zinc/29/35/59/950293559.db2.gz PMEILHJFJLRMLV-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001576193449 950299925 /nfs/dbraw/zinc/29/99/25/950299925.db2.gz VCBOSCGPPKYHOF-WCQYABFASA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574743167 950315642 /nfs/dbraw/zinc/31/56/42/950315642.db2.gz SOEYJEIGJUETMZ-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574743167 950315664 /nfs/dbraw/zinc/31/56/64/950315664.db2.gz SOEYJEIGJUETMZ-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574743167 950315690 /nfs/dbraw/zinc/31/56/90/950315690.db2.gz SOEYJEIGJUETMZ-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574743167 950315708 /nfs/dbraw/zinc/31/57/08/950315708.db2.gz SOEYJEIGJUETMZ-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575907804 950341103 /nfs/dbraw/zinc/34/11/03/950341103.db2.gz QYDLTBSBTZNCQT-ABAIWWIYSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575907804 950341123 /nfs/dbraw/zinc/34/11/23/950341123.db2.gz QYDLTBSBTZNCQT-ABAIWWIYSA-N 0 3 380.412 0.755 20 0 GCADHN CC(C)(C)N1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC001573854895 950352996 /nfs/dbraw/zinc/35/29/96/950352996.db2.gz GSGAZKZOUQOQHR-XQQFMLRXSA-N 0 3 386.460 0.445 20 0 GCADHN CC(C)(C)N1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001573855143 950356677 /nfs/dbraw/zinc/35/66/77/950356677.db2.gz JSSUBMIPEYBVQY-MJVIPROJSA-N 0 3 386.460 0.445 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001576196428 950359163 /nfs/dbraw/zinc/35/91/63/950359163.db2.gz DGVWRNCFBMTHNV-HUUCEWRRSA-N 0 3 384.488 0.888 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001576196428 950359187 /nfs/dbraw/zinc/35/91/87/950359187.db2.gz DGVWRNCFBMTHNV-HUUCEWRRSA-N 0 3 384.488 0.888 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573855224 950364112 /nfs/dbraw/zinc/36/41/12/950364112.db2.gz MDYYHPPTXMWUJA-UHFFFAOYSA-N 0 3 388.476 0.694 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573855240 950364765 /nfs/dbraw/zinc/36/47/65/950364765.db2.gz MQOTWZNCGJTAPR-UHFFFAOYSA-N 0 3 388.476 0.742 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573855278 950368703 /nfs/dbraw/zinc/36/87/03/950368703.db2.gz ORJISGJFUMSYTN-RYUDHWBXSA-N 0 3 388.476 0.740 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575908677 950372786 /nfs/dbraw/zinc/37/27/86/950372786.db2.gz CYTOPWZTEFKRSN-IAQYHMDHSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575908677 950372803 /nfs/dbraw/zinc/37/28/03/950372803.db2.gz CYTOPWZTEFKRSN-IAQYHMDHSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196718 950373191 /nfs/dbraw/zinc/37/31/91/950373191.db2.gz GGRPGXNXODJXLQ-ZIAGYGMSSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575908681 950373453 /nfs/dbraw/zinc/37/34/53/950373453.db2.gz CYTOPWZTEFKRSN-XHDPSFHLSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575908681 950373473 /nfs/dbraw/zinc/37/34/73/950373473.db2.gz CYTOPWZTEFKRSN-XHDPSFHLSA-N 0 3 380.412 0.755 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576196755 950374630 /nfs/dbraw/zinc/37/46/30/950374630.db2.gz HFDAUVIMBGGLJT-CYBMUJFWSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576196755 950374650 /nfs/dbraw/zinc/37/46/50/950374650.db2.gz HFDAUVIMBGGLJT-CYBMUJFWSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCC[NH+]1CCCC1 ZINC001574990589 950380079 /nfs/dbraw/zinc/38/00/79/950380079.db2.gz DDNXYPAAZHXTJE-CYBMUJFWSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCC[NH+]1CCCC1 ZINC001574990589 950380098 /nfs/dbraw/zinc/38/00/98/950380098.db2.gz DDNXYPAAZHXTJE-CYBMUJFWSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574502500 950387333 /nfs/dbraw/zinc/38/73/33/950387333.db2.gz OGSXQTRCEIQSHS-JSGCOSHPSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1nnn[n-]1)NC(N)=O ZINC001574502500 950387352 /nfs/dbraw/zinc/38/73/52/950387352.db2.gz OGSXQTRCEIQSHS-JSGCOSHPSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576197403 950389768 /nfs/dbraw/zinc/38/97/68/950389768.db2.gz NERWYMSGHKQUQW-KBPBESRZSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576197403 950389781 /nfs/dbraw/zinc/38/97/81/950389781.db2.gz NERWYMSGHKQUQW-KBPBESRZSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)Cc1cncn1C ZINC001575909507 950397280 /nfs/dbraw/zinc/39/72/80/950397280.db2.gz GVXXKKQXXHZDMV-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)Cc1cncn1C ZINC001575909507 950397301 /nfs/dbraw/zinc/39/73/01/950397301.db2.gz GVXXKKQXXHZDMV-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN CC1CC[NH+](CC(=O)N(C)CCCN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576197991 950399934 /nfs/dbraw/zinc/39/99/34/950399934.db2.gz QUVICEOSGSZGRS-UHFFFAOYSA-N 0 3 387.492 0.673 20 0 GCADHN C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001576198083 950402254 /nfs/dbraw/zinc/40/22/54/950402254.db2.gz RWYAMQDQAIQEEV-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001576198083 950402269 /nfs/dbraw/zinc/40/22/69/950402269.db2.gz RWYAMQDQAIQEEV-RYUDHWBXSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909642 950405388 /nfs/dbraw/zinc/40/53/88/950405388.db2.gz ZXYJCQJGBNGUFU-WFASDCNBSA-N 0 3 392.485 0.380 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575910453 950422032 /nfs/dbraw/zinc/42/20/32/950422032.db2.gz LBPHHMYANGBZMG-YPMHNXCESA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575910453 950422046 /nfs/dbraw/zinc/42/20/46/950422046.db2.gz LBPHHMYANGBZMG-YPMHNXCESA-N 0 3 382.428 0.286 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574750798 950444251 /nfs/dbraw/zinc/44/42/51/950444251.db2.gz ICPZVGLGPKYVDK-YPMHNXCESA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001574750798 950444264 /nfs/dbraw/zinc/44/42/64/950444264.db2.gz ICPZVGLGPKYVDK-YPMHNXCESA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575911630 950448262 /nfs/dbraw/zinc/44/82/62/950448262.db2.gz OUJRCPDCUDNJCW-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575911630 950448267 /nfs/dbraw/zinc/44/82/67/950448267.db2.gz OUJRCPDCUDNJCW-GUYCJALGSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1ccnn1 ZINC001575912223 950465101 /nfs/dbraw/zinc/46/51/01/950465101.db2.gz QQVXYDDFNQIIPI-XJKSGUPXSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnn1 ZINC001575912223 950465117 /nfs/dbraw/zinc/46/51/17/950465117.db2.gz QQVXYDDFNQIIPI-XJKSGUPXSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574508055 950468090 /nfs/dbraw/zinc/46/80/90/950468090.db2.gz LYBFWEPOKNNDDH-KYOSRNDESA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574508055 950468103 /nfs/dbraw/zinc/46/81/03/950468103.db2.gz LYBFWEPOKNNDDH-KYOSRNDESA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576204711 950473107 /nfs/dbraw/zinc/47/31/07/950473107.db2.gz AXMDBLQIAPFKFD-CYBMUJFWSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576204711 950473117 /nfs/dbraw/zinc/47/31/17/950473117.db2.gz AXMDBLQIAPFKFD-CYBMUJFWSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC001574994300 950475956 /nfs/dbraw/zinc/47/59/56/950475956.db2.gz QEAUVVMVDFITHP-BJOHPYRUSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC001574994300 950475974 /nfs/dbraw/zinc/47/59/74/950475974.db2.gz QEAUVVMVDFITHP-BJOHPYRUSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC001574994460 950479469 /nfs/dbraw/zinc/47/94/69/950479469.db2.gz RNEGZBQALQUUJY-BJOHPYRUSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC001574994460 950479479 /nfs/dbraw/zinc/47/94/79/950479479.db2.gz RNEGZBQALQUUJY-BJOHPYRUSA-N 0 3 391.382 0.915 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC001574994456 950479506 /nfs/dbraw/zinc/47/95/06/950479506.db2.gz RKDBOYKMILUIQB-GXTWGEPZSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC001574994456 950479520 /nfs/dbraw/zinc/47/95/20/950479520.db2.gz RKDBOYKMILUIQB-GXTWGEPZSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001574994435 950481041 /nfs/dbraw/zinc/48/10/41/950481041.db2.gz QYLUJHZCFDHIHN-XJKSGUPXSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001574994435 950481056 /nfs/dbraw/zinc/48/10/56/950481056.db2.gz QYLUJHZCFDHIHN-XJKSGUPXSA-N 0 3 383.456 0.896 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)[nH]n1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574752588 950489518 /nfs/dbraw/zinc/48/95/18/950489518.db2.gz DFSFEHCSYWCFHH-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576205064 950491825 /nfs/dbraw/zinc/49/18/25/950491825.db2.gz GDFHVTCJTDFUJN-LSDHHAIUSA-N 0 3 384.488 0.936 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001576205064 950491840 /nfs/dbraw/zinc/49/18/40/950491840.db2.gz GDFHVTCJTDFUJN-LSDHHAIUSA-N 0 3 384.488 0.936 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCC(=O)NC1 ZINC001575605981 950495054 /nfs/dbraw/zinc/49/50/54/950495054.db2.gz ZHCNHSMIYGWAHW-KHYOSLBOSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CCC(=O)NC1 ZINC001575605981 950495071 /nfs/dbraw/zinc/49/50/71/950495071.db2.gz ZHCNHSMIYGWAHW-KHYOSLBOSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574509038 950495891 /nfs/dbraw/zinc/49/58/91/950495891.db2.gz OKXOLVZNMOFURE-QWRGUYRKSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576205186 950504283 /nfs/dbraw/zinc/50/42/83/950504283.db2.gz GWPAHAPKIMLGHX-ZIAGYGMSSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576205186 950504300 /nfs/dbraw/zinc/50/43/00/950504300.db2.gz GWPAHAPKIMLGHX-ZIAGYGMSSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576205271 950506299 /nfs/dbraw/zinc/50/62/99/950506299.db2.gz IDZZZYSEHPJXQS-ZIAGYGMSSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576205271 950506316 /nfs/dbraw/zinc/50/63/16/950506316.db2.gz IDZZZYSEHPJXQS-ZIAGYGMSSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575609243 950524286 /nfs/dbraw/zinc/52/42/86/950524286.db2.gz WWEKTRRPPSNSNV-BIENJYKASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575609243 950524301 /nfs/dbraw/zinc/52/43/01/950524301.db2.gz WWEKTRRPPSNSNV-BIENJYKASA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CCC(=O)NC1 ZINC001575609573 950529601 /nfs/dbraw/zinc/52/96/01/950529601.db2.gz YSHPJSQXJKSDIC-SPYBWZPUSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CCC(=O)NC1 ZINC001575609573 950529622 /nfs/dbraw/zinc/52/96/22/950529622.db2.gz YSHPJSQXJKSDIC-SPYBWZPUSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916439 950540503 /nfs/dbraw/zinc/54/05/03/950540503.db2.gz ZUYOYJJZJBTFCG-BXUZGUMPSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccn(C)c(=O)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916439 950540516 /nfs/dbraw/zinc/54/05/16/950540516.db2.gz ZUYOYJJZJBTFCG-BXUZGUMPSA-N 0 3 382.428 0.286 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574753829 950544323 /nfs/dbraw/zinc/54/43/23/950544323.db2.gz SZXKKNHZQOMYJE-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574753829 950544340 /nfs/dbraw/zinc/54/43/40/950544340.db2.gz SZXKKNHZQOMYJE-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]CCn1cc(Cl)cn1 ZINC001574754551 950572686 /nfs/dbraw/zinc/57/26/86/950572686.db2.gz MMVIRPJSXDFZSG-SNVBAGLBSA-N 0 3 377.840 0.795 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]CCn1cc(Cl)cn1 ZINC001574754551 950572698 /nfs/dbraw/zinc/57/26/98/950572698.db2.gz MMVIRPJSXDFZSG-SNVBAGLBSA-N 0 3 377.840 0.795 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576206655 950574861 /nfs/dbraw/zinc/57/48/61/950574861.db2.gz YPQMBFLWYUZSPD-KBPBESRZSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576206655 950574883 /nfs/dbraw/zinc/57/48/83/950574883.db2.gz YPQMBFLWYUZSPD-KBPBESRZSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)C1 ZINC001576208448 950610026 /nfs/dbraw/zinc/61/00/26/950610026.db2.gz QBOCAOKFPCTBOC-BFHYXJOUSA-N 0 3 385.476 0.187 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)C1 ZINC001576208448 950610038 /nfs/dbraw/zinc/61/00/38/950610038.db2.gz QBOCAOKFPCTBOC-BFHYXJOUSA-N 0 3 385.476 0.187 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N(CCC(=O)OC)CC(=O)[O-])CC2)CC1 ZINC001589741785 950612471 /nfs/dbraw/zinc/61/24/71/950612471.db2.gz WMCZPYQMSGPSQL-UHFFFAOYSA-N 0 3 383.489 0.659 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575001123 950623474 /nfs/dbraw/zinc/62/34/74/950623474.db2.gz SSISLBDVCOVDOU-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575001123 950623486 /nfs/dbraw/zinc/62/34/86/950623486.db2.gz SSISLBDVCOVDOU-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574519432 950680051 /nfs/dbraw/zinc/68/00/51/950680051.db2.gz VLTUANKTTZNAAC-WHOFXGATSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574519432 950680067 /nfs/dbraw/zinc/68/00/67/950680067.db2.gz VLTUANKTTZNAAC-WHOFXGATSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574760773 950680918 /nfs/dbraw/zinc/68/09/18/950680918.db2.gz ZQGIPQYREWDAES-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574760773 950680925 /nfs/dbraw/zinc/68/09/25/950680925.db2.gz ZQGIPQYREWDAES-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575005475 950685425 /nfs/dbraw/zinc/68/54/25/950685425.db2.gz FXUAAAFSSGMMNR-SNVBAGLBSA-N 0 3 386.391 0.503 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575005475 950685434 /nfs/dbraw/zinc/68/54/34/950685434.db2.gz FXUAAAFSSGMMNR-SNVBAGLBSA-N 0 3 386.391 0.503 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574519907 950702660 /nfs/dbraw/zinc/70/26/60/950702660.db2.gz JTMZJORKRAXUIM-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574519907 950702668 /nfs/dbraw/zinc/70/26/68/950702668.db2.gz JTMZJORKRAXUIM-VXGBXAGGSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574763819 950735723 /nfs/dbraw/zinc/73/57/23/950735723.db2.gz LOKBJQWGHLNOMW-JTQLQIEISA-N 0 3 387.423 0.572 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008235 950741972 /nfs/dbraw/zinc/74/19/72/950741972.db2.gz CWPXTHHDRQIQHZ-DOMZBBRYSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008235 950741989 /nfs/dbraw/zinc/74/19/89/950741989.db2.gz CWPXTHHDRQIQHZ-DOMZBBRYSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008245 950743216 /nfs/dbraw/zinc/74/32/16/950743216.db2.gz CWPXTHHDRQIQHZ-WFASDCNBSA-N 0 3 388.476 0.550 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008245 950743228 /nfs/dbraw/zinc/74/32/28/950743228.db2.gz CWPXTHHDRQIQHZ-WFASDCNBSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CN(C)C(=O)c1cnc2n[nH]nc2c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574764493 950753195 /nfs/dbraw/zinc/75/31/95/950753195.db2.gz UJAKAQNKDALRQI-LLVKDONJSA-N 0 3 392.427 0.783 20 0 GCADHN C[C@H](CN(C)C(=O)c1cnc2n[nH]nc2c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574764493 950753211 /nfs/dbraw/zinc/75/32/11/950753211.db2.gz UJAKAQNKDALRQI-LLVKDONJSA-N 0 3 392.427 0.783 20 0 GCADHN CC1(C)CC(C(=O)NCCN2CCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001575630771 950766481 /nfs/dbraw/zinc/76/64/81/950766481.db2.gz HZKLDOOKMKZNGE-UHFFFAOYSA-N 0 3 384.488 0.936 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001575008982 950766940 /nfs/dbraw/zinc/76/69/40/950766940.db2.gz LOSYBBFEADUWCS-BXUZGUMPSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574522547 950798358 /nfs/dbraw/zinc/79/83/58/950798358.db2.gz KQSXSPYAOKUFII-NEPJUHHUSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574522547 950798376 /nfs/dbraw/zinc/79/83/76/950798376.db2.gz KQSXSPYAOKUFII-NEPJUHHUSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)Cn1cncn1 ZINC001574522550 950799067 /nfs/dbraw/zinc/79/90/67/950799067.db2.gz KQSXSPYAOKUFII-VXGBXAGGSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)Cn1cncn1 ZINC001574522550 950799078 /nfs/dbraw/zinc/79/90/78/950799078.db2.gz KQSXSPYAOKUFII-VXGBXAGGSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)C12CCC[NH+]1CCC2 ZINC001575009939 950803497 /nfs/dbraw/zinc/80/34/97/950803497.db2.gz YXTUKELZMBJVNR-GFCCVEGCSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)Cn1cncn1 ZINC001574522879 950804183 /nfs/dbraw/zinc/80/41/83/950804183.db2.gz LOLCRWHGOAVOOM-NWDGAFQWSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)Cn1cncn1 ZINC001574522879 950804193 /nfs/dbraw/zinc/80/41/93/950804193.db2.gz LOLCRWHGOAVOOM-NWDGAFQWSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574523145 950807475 /nfs/dbraw/zinc/80/74/75/950807475.db2.gz MIRYCNAGEYJQCL-NEPJUHHUSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574523145 950807496 /nfs/dbraw/zinc/80/74/96/950807496.db2.gz MIRYCNAGEYJQCL-NEPJUHHUSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CCn1cncn1 ZINC001574523614 950818804 /nfs/dbraw/zinc/81/88/04/950818804.db2.gz OKYCTINWBWPNNO-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CCn1cncn1 ZINC001574523614 950818828 /nfs/dbraw/zinc/81/88/28/950818828.db2.gz OKYCTINWBWPNNO-KBPBESRZSA-N 0 3 383.460 0.921 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)Cn1cnnn1 ZINC001574523943 950839763 /nfs/dbraw/zinc/83/97/63/950839763.db2.gz SJVUZABVIVUTPA-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)Cn1cnnn1 ZINC001574523943 950839784 /nfs/dbraw/zinc/83/97/84/950839784.db2.gz SJVUZABVIVUTPA-WDEREUQCSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@@H](C[N@H+](C)C[C@H](O)Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767207 950841647 /nfs/dbraw/zinc/84/16/47/950841647.db2.gz NBYVOBFKNYLSDP-DZGCQCFKSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](C[N@@H+](C)C[C@H](O)Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767207 950841669 /nfs/dbraw/zinc/84/16/69/950841669.db2.gz NBYVOBFKNYLSDP-DZGCQCFKSA-N 0 3 383.456 0.849 20 0 GCADHN CC1(C)CC(C[NH+]2CCN(CCNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001575638747 950847486 /nfs/dbraw/zinc/84/74/86/950847486.db2.gz JJNRSCIFYPJDOZ-UHFFFAOYSA-N 0 3 386.504 0.978 20 0 GCADHN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576221562 950860883 /nfs/dbraw/zinc/86/08/83/950860883.db2.gz VNWABQJFADYZDN-JSGCOSHPSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001574524701 950865244 /nfs/dbraw/zinc/86/52/44/950865244.db2.gz YPNNMBIFGOGEBJ-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574524701 950865272 /nfs/dbraw/zinc/86/52/72/950865272.db2.gz YPNNMBIFGOGEBJ-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001574527378 950880386 /nfs/dbraw/zinc/88/03/86/950880386.db2.gz BCKAHCSCMIUDRY-NEPJUHHUSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001574527378 950880396 /nfs/dbraw/zinc/88/03/96/950880396.db2.gz BCKAHCSCMIUDRY-NEPJUHHUSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@@H](CN(C)C(=O)c1nccnc1N)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574768532 950890959 /nfs/dbraw/zinc/89/09/59/950890959.db2.gz YOPHGPXEJDHVIN-JTQLQIEISA-N 0 3 385.407 0.628 20 0 GCADHN CC(C)(C)n1nnc(CC(=O)NCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC001573893643 950894021 /nfs/dbraw/zinc/89/40/21/950894021.db2.gz OVVNRIIILPQIOQ-UHFFFAOYSA-N 0 3 384.448 0.057 20 0 GCADHN CC(C)(C)n1nnc(CC(=O)NCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC001573893643 950894041 /nfs/dbraw/zinc/89/40/41/950894041.db2.gz OVVNRIIILPQIOQ-UHFFFAOYSA-N 0 3 384.448 0.057 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)c1cn(C)nn1 ZINC001574527590 950898088 /nfs/dbraw/zinc/89/80/88/950898088.db2.gz DSMVZFSHKHETSC-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)c1cn(C)nn1 ZINC001574527590 950898100 /nfs/dbraw/zinc/89/81/00/950898100.db2.gz DSMVZFSHKHETSC-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnnn1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574528570 950938651 /nfs/dbraw/zinc/93/86/51/950938651.db2.gz NJMJZGGGZAKDSY-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnnn1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574528570 950938666 /nfs/dbraw/zinc/93/86/66/950938666.db2.gz NJMJZGGGZAKDSY-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)c1N ZINC001574528951 950942354 /nfs/dbraw/zinc/94/23/54/950942354.db2.gz OSGGTUCWWCUEEF-VXGBXAGGSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)c1N ZINC001574528951 950942379 /nfs/dbraw/zinc/94/23/79/950942379.db2.gz OSGGTUCWWCUEEF-VXGBXAGGSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)c1N ZINC001574528945 950942567 /nfs/dbraw/zinc/94/25/67/950942567.db2.gz OSGGTUCWWCUEEF-NWDGAFQWSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)c1N ZINC001574528945 950942594 /nfs/dbraw/zinc/94/25/94/950942594.db2.gz OSGGTUCWWCUEEF-NWDGAFQWSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1nccnc1N ZINC001574529576 950954763 /nfs/dbraw/zinc/95/47/63/950954763.db2.gz REJFEMWENADBHK-NWDGAFQWSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1nccnc1N ZINC001574529576 950954775 /nfs/dbraw/zinc/95/47/75/950954775.db2.gz REJFEMWENADBHK-NWDGAFQWSA-N 0 3 381.444 0.926 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)c1cn(C)nn1 ZINC001574529991 950965312 /nfs/dbraw/zinc/96/53/12/950965312.db2.gz SDJRGCPLHIUOAV-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)c1cn(C)nn1 ZINC001574529991 950965325 /nfs/dbraw/zinc/96/53/25/950965325.db2.gz SDJRGCPLHIUOAV-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574774455 951002974 /nfs/dbraw/zinc/00/29/74/951002974.db2.gz CSLVTEIJMOSCOK-XJKSGUPXSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001575018327 951018908 /nfs/dbraw/zinc/01/89/08/951018908.db2.gz PKHFBISXPBXINZ-NWDGAFQWSA-N 0 3 383.412 0.743 20 0 GCADHN C[C@H](CNC(=O)c1cccc(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575025854 951136354 /nfs/dbraw/zinc/13/63/54/951136354.db2.gz CGBKAOMPNMBIHS-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1ccc2nnnn2c1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575025851 951136480 /nfs/dbraw/zinc/13/64/80/951136480.db2.gz CDTUETSMAQZOKQ-NSHDSACASA-N 0 3 378.400 0.213 20 0 GCADHN C[C@H](CNC(=O)c1cccn(C)c1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575031498 951193666 /nfs/dbraw/zinc/19/36/66/951193666.db2.gz BNMHBNUJSMOLSZ-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cccn(C)c1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575031498 951193672 /nfs/dbraw/zinc/19/36/72/951193672.db2.gz BNMHBNUJSMOLSZ-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cccn(C)c1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575031448 951193866 /nfs/dbraw/zinc/19/38/66/951193866.db2.gz AGHNIYDFICXTDH-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1cccn(C)c1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575031448 951193871 /nfs/dbraw/zinc/19/38/71/951193871.db2.gz AGHNIYDFICXTDH-LLVKDONJSA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575031449 951193883 /nfs/dbraw/zinc/19/38/83/951193883.db2.gz AGHNIYDFICXTDH-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575031449 951193888 /nfs/dbraw/zinc/19/38/88/951193888.db2.gz AGHNIYDFICXTDH-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575034710 951252602 /nfs/dbraw/zinc/25/26/02/951252602.db2.gz CGBCGXNBBGIJCV-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575034710 951252606 /nfs/dbraw/zinc/25/26/06/951252606.db2.gz CGBCGXNBBGIJCV-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575034710 951252615 /nfs/dbraw/zinc/25/26/15/951252615.db2.gz CGBCGXNBBGIJCV-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575034710 951252628 /nfs/dbraw/zinc/25/26/28/951252628.db2.gz CGBCGXNBBGIJCV-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575036483 951294392 /nfs/dbraw/zinc/29/43/92/951294392.db2.gz SVZJRVYNTPQHDT-LBPRGKRZSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575039697 951335730 /nfs/dbraw/zinc/33/57/30/951335730.db2.gz RVRYPVDZVLLPJH-LLVKDONJSA-N 0 3 383.412 0.396 20 0 GCADHN C[C@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575043592 951399626 /nfs/dbraw/zinc/39/96/26/951399626.db2.gz KOKAMZHNCFWKEK-GFCCVEGCSA-N 0 3 381.444 0.631 20 0 GCADHN C[C@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575043592 951399634 /nfs/dbraw/zinc/39/96/34/951399634.db2.gz KOKAMZHNCFWKEK-GFCCVEGCSA-N 0 3 381.444 0.631 20 0 GCADHN C[C@H](CNC(=O)c1cnn2ncccc12)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575053703 951480502 /nfs/dbraw/zinc/48/05/02/951480502.db2.gz DBOYALWQBUWWKB-GFCCVEGCSA-N 0 3 377.412 0.818 20 0 GCADHN C[C@H](CNC(=O)c1cnn2ncccc12)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575053703 951480506 /nfs/dbraw/zinc/48/05/06/951480506.db2.gz DBOYALWQBUWWKB-GFCCVEGCSA-N 0 3 377.412 0.818 20 0 GCADHN C[C@@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575054750 951496119 /nfs/dbraw/zinc/49/61/19/951496119.db2.gz KMKJCLDHZJZOTR-LBPRGKRZSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575054750 951496124 /nfs/dbraw/zinc/49/61/24/951496124.db2.gz KMKJCLDHZJZOTR-LBPRGKRZSA-N 0 3 382.428 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001575068540 951633826 /nfs/dbraw/zinc/63/38/26/951633826.db2.gz AISSVSGOMKFYIJ-CHWSQXEVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@](C[NH2+]CC(=O)N1CCCC1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575068858 951638546 /nfs/dbraw/zinc/63/85/46/951638546.db2.gz DFTDGPUKODVZOW-SFHVURJKSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)NCC(C)(C)C ZINC001575069178 951642366 /nfs/dbraw/zinc/64/23/66/951642366.db2.gz HBHKYGVNEAGTDV-NSHDSACASA-N 0 3 376.465 0.313 20 0 GCADHN CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575069558 951645077 /nfs/dbraw/zinc/64/50/77/951645077.db2.gz KKICANZUCWGGLJ-NWDGAFQWSA-N 0 3 376.465 0.311 20 0 GCADHN CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575069558 951645081 /nfs/dbraw/zinc/64/50/81/951645081.db2.gz KKICANZUCWGGLJ-NWDGAFQWSA-N 0 3 376.465 0.311 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC001575070166 951648502 /nfs/dbraw/zinc/64/85/02/951648502.db2.gz OQJLHGRQAAXDLV-OLZOCXBDSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H](C[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575070200 951650990 /nfs/dbraw/zinc/65/09/90/951650990.db2.gz PERHEXPYVSSKSN-FZMZJTMJSA-N 0 3 386.460 0.398 20 0 GCADHN C[C@@](C[NH2+]CC(=O)NCC1CC1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575070635 951653562 /nfs/dbraw/zinc/65/35/62/951653562.db2.gz SSGHRCOKWFHKPI-SFHVURJKSA-N 0 3 386.460 0.209 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575077024 951659053 /nfs/dbraw/zinc/65/90/53/951659053.db2.gz AXYOVXIZVCNRIK-PSASIEDQSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001575077024 951659058 /nfs/dbraw/zinc/65/90/58/951659058.db2.gz AXYOVXIZVCNRIK-PSASIEDQSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575077037 951660127 /nfs/dbraw/zinc/66/01/27/951660127.db2.gz AYXSWYFHTOUHMF-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575077037 951660134 /nfs/dbraw/zinc/66/01/34/951660134.db2.gz AYXSWYFHTOUHMF-WPRPVWTQSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077254 951664540 /nfs/dbraw/zinc/66/45/40/951664540.db2.gz BGCZXZYMPWGSSG-RYUDHWBXSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077254 951664546 /nfs/dbraw/zinc/66/45/46/951664546.db2.gz BGCZXZYMPWGSSG-RYUDHWBXSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077226 951664856 /nfs/dbraw/zinc/66/48/56/951664856.db2.gz ATVJUGQXSCYGQM-NHYWBVRUSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1COCCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077226 951664861 /nfs/dbraw/zinc/66/48/61/951664861.db2.gz ATVJUGQXSCYGQM-NHYWBVRUSA-N 0 3 378.408 0.263 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575077275 951665458 /nfs/dbraw/zinc/66/54/58/951665458.db2.gz BTFWFSQAAKNDFV-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077512 951670657 /nfs/dbraw/zinc/67/06/57/951670657.db2.gz FYORYVCIUQYZLP-IINYFYTJSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077512 951670662 /nfs/dbraw/zinc/67/06/62/951670662.db2.gz FYORYVCIUQYZLP-IINYFYTJSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1=COCCO1 ZINC001575077551 951671420 /nfs/dbraw/zinc/67/14/20/951671420.db2.gz GOXBBSHWXJMYGQ-LLVKDONJSA-N 0 3 376.392 0.831 20 0 GCADHN C[C@H](CC(N)=O)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077866 951675803 /nfs/dbraw/zinc/67/58/03/951675803.db2.gz JCUDTZCUBHJMSV-GHMZBOCLSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CC(N)=O)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077866 951675809 /nfs/dbraw/zinc/67/58/09/951675809.db2.gz JCUDTZCUBHJMSV-GHMZBOCLSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078409 951680631 /nfs/dbraw/zinc/68/06/31/951680631.db2.gz LJFJSHMQOOWRBK-NSHDSACASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078409 951680639 /nfs/dbraw/zinc/68/06/39/951680639.db2.gz LJFJSHMQOOWRBK-NSHDSACASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CC(N)=O)C(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078576 951682299 /nfs/dbraw/zinc/68/22/99/951682299.db2.gz KTRMTAAJWJNWEP-GHMZBOCLSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@H](CC(N)=O)C(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078576 951682304 /nfs/dbraw/zinc/68/23/04/951682304.db2.gz KTRMTAAJWJNWEP-GHMZBOCLSA-N 0 3 377.424 0.359 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)Nc1ccccc1 ZINC001575078540 951682565 /nfs/dbraw/zinc/68/25/65/951682565.db2.gz KONVBKJOPROVAU-GFCCVEGCSA-N 0 3 382.428 0.789 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078561 951683237 /nfs/dbraw/zinc/68/32/37/951683237.db2.gz NJUWCKOVENXMMM-VOJFVSQTSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078561 951683241 /nfs/dbraw/zinc/68/32/41/951683241.db2.gz NJUWCKOVENXMMM-VOJFVSQTSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078635 951684796 /nfs/dbraw/zinc/68/47/96/951684796.db2.gz LDWZXEOSZUAFCF-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078635 951684799 /nfs/dbraw/zinc/68/47/99/951684799.db2.gz LDWZXEOSZUAFCF-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575079032 951687916 /nfs/dbraw/zinc/68/79/16/951687916.db2.gz CJDCSEXHMRYSPL-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575079032 951687922 /nfs/dbraw/zinc/68/79/22/951687922.db2.gz CJDCSEXHMRYSPL-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079501 951692179 /nfs/dbraw/zinc/69/21/79/951692179.db2.gz FQLQFRSPDFNIFM-AAEUAGOBSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079501 951692187 /nfs/dbraw/zinc/69/21/87/951692187.db2.gz FQLQFRSPDFNIFM-AAEUAGOBSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079925 951699699 /nfs/dbraw/zinc/69/96/99/951699699.db2.gz SZWWMEKUKZIGBC-NWDGAFQWSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079925 951699703 /nfs/dbraw/zinc/69/97/03/951699703.db2.gz SZWWMEKUKZIGBC-NWDGAFQWSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)Cc1ccn(C)n1 ZINC001575080001 951701253 /nfs/dbraw/zinc/70/12/53/951701253.db2.gz IPXSUOIMHINXJD-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)Cc1ccn(C)n1 ZINC001575080001 951701257 /nfs/dbraw/zinc/70/12/57/951701257.db2.gz IPXSUOIMHINXJD-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575080121 951704905 /nfs/dbraw/zinc/70/49/05/951704905.db2.gz VKMUBVOOPRYQRU-LBPRGKRZSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575080121 951704912 /nfs/dbraw/zinc/70/49/12/951704912.db2.gz VKMUBVOOPRYQRU-LBPRGKRZSA-N 0 3 389.435 0.470 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575080684 951711809 /nfs/dbraw/zinc/71/18/09/951711809.db2.gz MQOFOKVJTCGNCW-AAEUAGOBSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575080684 951711820 /nfs/dbraw/zinc/71/18/20/951711820.db2.gz MQOFOKVJTCGNCW-AAEUAGOBSA-N 0 3 389.435 0.421 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081617 951724316 /nfs/dbraw/zinc/72/43/16/951724316.db2.gz QXGOFFDZNHUNHB-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081617 951724326 /nfs/dbraw/zinc/72/43/26/951724326.db2.gz QXGOFFDZNHUNHB-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575082016 951729822 /nfs/dbraw/zinc/72/98/22/951729822.db2.gz UISMOTAZJGNUCQ-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575082016 951729827 /nfs/dbraw/zinc/72/98/27/951729827.db2.gz UISMOTAZJGNUCQ-JTQLQIEISA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082213 951731609 /nfs/dbraw/zinc/73/16/09/951731609.db2.gz VVPLJALHVVLJAB-AAEUAGOBSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082213 951731615 /nfs/dbraw/zinc/73/16/15/951731615.db2.gz VVPLJALHVVLJAB-AAEUAGOBSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082215 951731804 /nfs/dbraw/zinc/73/18/04/951731804.db2.gz VVPLJALHVVLJAB-WCQYABFASA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082215 951731807 /nfs/dbraw/zinc/73/18/07/951731807.db2.gz VVPLJALHVVLJAB-WCQYABFASA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575082552 951733695 /nfs/dbraw/zinc/73/36/95/951733695.db2.gz XBVNMOZYRAGGEQ-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575082552 951733701 /nfs/dbraw/zinc/73/37/01/951733701.db2.gz XBVNMOZYRAGGEQ-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082597 951736764 /nfs/dbraw/zinc/73/67/64/951736764.db2.gz XOGUGQKSHVGWGU-SNVBAGLBSA-N 0 3 388.407 0.601 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082597 951736771 /nfs/dbraw/zinc/73/67/71/951736771.db2.gz XOGUGQKSHVGWGU-SNVBAGLBSA-N 0 3 388.407 0.601 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082718 951738265 /nfs/dbraw/zinc/73/82/65/951738265.db2.gz YTEIAYSITRPBOF-NWDGAFQWSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082718 951738269 /nfs/dbraw/zinc/73/82/69/951738269.db2.gz YTEIAYSITRPBOF-NWDGAFQWSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CCn1ccnn1 ZINC001575088969 951744617 /nfs/dbraw/zinc/74/46/17/951744617.db2.gz DMIMDCBBGIBNTR-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089131 951746005 /nfs/dbraw/zinc/74/60/05/951746005.db2.gz DUHXQJNYPRTNNH-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089131 951746008 /nfs/dbraw/zinc/74/60/08/951746008.db2.gz DUHXQJNYPRTNNH-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089301 951747534 /nfs/dbraw/zinc/74/75/34/951747534.db2.gz FLNJWDAQRDEUFG-CZUORRHYSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089301 951747538 /nfs/dbraw/zinc/74/75/38/951747538.db2.gz FLNJWDAQRDEUFG-CZUORRHYSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089842 951754834 /nfs/dbraw/zinc/75/48/34/951754834.db2.gz HTBXJOSJLQLDBU-VOJFVSQTSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089842 951754843 /nfs/dbraw/zinc/75/48/43/951754843.db2.gz HTBXJOSJLQLDBU-VOJFVSQTSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090246 951758124 /nfs/dbraw/zinc/75/81/24/951758124.db2.gz KEYSJUBHZJGOBH-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)Cc1ccn(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090246 951758130 /nfs/dbraw/zinc/75/81/30/951758130.db2.gz KEYSJUBHZJGOBH-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091006 951766377 /nfs/dbraw/zinc/76/63/77/951766377.db2.gz OTXTVSWGDOEAPA-FZMZJTMJSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091006 951766389 /nfs/dbraw/zinc/76/63/89/951766389.db2.gz OTXTVSWGDOEAPA-FZMZJTMJSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091227 951772171 /nfs/dbraw/zinc/77/21/71/951772171.db2.gz QFCDKORRNWTPPQ-MNOVXSKESA-N 0 3 392.439 0.295 20 0 GCADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091227 951772176 /nfs/dbraw/zinc/77/21/76/951772176.db2.gz QFCDKORRNWTPPQ-MNOVXSKESA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575091581 951778507 /nfs/dbraw/zinc/77/85/07/951778507.db2.gz SHCJNVBAVAOSOC-YPMHNXCESA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CCNC(N)=O ZINC001575091655 951780997 /nfs/dbraw/zinc/78/09/97/951780997.db2.gz UAWMWJREJNEBRX-JTQLQIEISA-N 0 3 378.412 0.001 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575091824 951783968 /nfs/dbraw/zinc/78/39/68/951783968.db2.gz VFCUQFRJAYBDLH-SFHVURJKSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575091824 951783971 /nfs/dbraw/zinc/78/39/71/951783971.db2.gz VFCUQFRJAYBDLH-SFHVURJKSA-N 0 3 381.444 0.533 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575093351 951797861 /nfs/dbraw/zinc/79/78/61/951797861.db2.gz IBHVQJYYCZUSHW-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575093351 951797862 /nfs/dbraw/zinc/79/78/62/951797862.db2.gz IBHVQJYYCZUSHW-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1cccc(=O)n1C ZINC001575093418 951798928 /nfs/dbraw/zinc/79/89/28/951798928.db2.gz ISNLAKVJKGFEBE-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1cccc(=O)n1C ZINC001575093418 951798933 /nfs/dbraw/zinc/79/89/33/951798933.db2.gz ISNLAKVJKGFEBE-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575095152 951811100 /nfs/dbraw/zinc/81/11/00/951811100.db2.gz SNJJWXXTWCJGOC-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575095152 951811108 /nfs/dbraw/zinc/81/11/08/951811108.db2.gz SNJJWXXTWCJGOC-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575095567 951813407 /nfs/dbraw/zinc/81/34/07/951813407.db2.gz VJKFVPJIPSSTLE-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575095567 951813416 /nfs/dbraw/zinc/81/34/16/951813416.db2.gz VJKFVPJIPSSTLE-CYBMUJFWSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001575095686 951813994 /nfs/dbraw/zinc/81/39/94/951813994.db2.gz VSYCSJDXRBYRBN-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001575095686 951814002 /nfs/dbraw/zinc/81/40/02/951814002.db2.gz VSYCSJDXRBYRBN-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101237 951856133 /nfs/dbraw/zinc/85/61/33/951856133.db2.gz BDEBZCMEUQAKLH-AAEUAGOBSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101237 951856138 /nfs/dbraw/zinc/85/61/38/951856138.db2.gz BDEBZCMEUQAKLH-AAEUAGOBSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001575101489 951859409 /nfs/dbraw/zinc/85/94/09/951859409.db2.gz FSXHRFDFDZQSQR-NWDGAFQWSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001575101489 951859413 /nfs/dbraw/zinc/85/94/13/951859413.db2.gz FSXHRFDFDZQSQR-NWDGAFQWSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101686 951861783 /nfs/dbraw/zinc/86/17/83/951861783.db2.gz IJTFRGIQJLYDJD-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101686 951861785 /nfs/dbraw/zinc/86/17/85/951861785.db2.gz IJTFRGIQJLYDJD-YPMHNXCESA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101550 951862803 /nfs/dbraw/zinc/86/28/03/951862803.db2.gz HCRDENAUUQMLTQ-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101550 951862814 /nfs/dbraw/zinc/86/28/14/951862814.db2.gz HCRDENAUUQMLTQ-GFCCVEGCSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103369 951876329 /nfs/dbraw/zinc/87/63/29/951876329.db2.gz SSUIFIQKUOHVRQ-RYUDHWBXSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103369 951876335 /nfs/dbraw/zinc/87/63/35/951876335.db2.gz SSUIFIQKUOHVRQ-RYUDHWBXSA-N 0 3 387.423 0.700 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103673 951877816 /nfs/dbraw/zinc/87/78/16/951877816.db2.gz VEWGICSZVFQEGY-APPDUMDISA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](CNC(=O)[C@@]1(F)CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575103673 951877819 /nfs/dbraw/zinc/87/78/19/951877819.db2.gz VEWGICSZVFQEGY-APPDUMDISA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001575104882 951889546 /nfs/dbraw/zinc/88/95/46/951889546.db2.gz FYVXAGIYWOMUAZ-WBMJQRKESA-N 0 3 391.451 0.273 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001575104880 951889840 /nfs/dbraw/zinc/88/98/40/951889840.db2.gz FYVXAGIYWOMUAZ-LRDDRELGSA-N 0 3 391.451 0.273 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104895 951890140 /nfs/dbraw/zinc/89/01/40/951890140.db2.gz GNFHWKCVGZQDGP-NEPJUHHUSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104895 951890144 /nfs/dbraw/zinc/89/01/44/951890144.db2.gz GNFHWKCVGZQDGP-NEPJUHHUSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105622 951896061 /nfs/dbraw/zinc/89/60/61/951896061.db2.gz LQYRGQSKFPMNIU-BBRMVZONSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105622 951896067 /nfs/dbraw/zinc/89/60/67/951896067.db2.gz LQYRGQSKFPMNIU-BBRMVZONSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105625 951896116 /nfs/dbraw/zinc/89/61/16/951896116.db2.gz LQYRGQSKFPMNIU-XJKSGUPXSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575105625 951896120 /nfs/dbraw/zinc/89/61/20/951896120.db2.gz LQYRGQSKFPMNIU-XJKSGUPXSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575105789 951898269 /nfs/dbraw/zinc/89/82/69/951898269.db2.gz NCXDNFWLSHJBAX-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575105789 951898281 /nfs/dbraw/zinc/89/82/81/951898281.db2.gz NCXDNFWLSHJBAX-SNVBAGLBSA-N 0 3 386.391 0.339 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CCn1cncn1 ZINC001575106845 951907038 /nfs/dbraw/zinc/90/70/38/951907038.db2.gz VJQUXFUJDCSITM-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CCn1cncn1 ZINC001575106845 951907048 /nfs/dbraw/zinc/90/70/48/951907048.db2.gz VJQUXFUJDCSITM-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCOCC1 ZINC001575106903 951908864 /nfs/dbraw/zinc/90/88/64/951908864.db2.gz WFICKIJMNSYCBZ-CYBMUJFWSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCOCC1 ZINC001575106903 951908871 /nfs/dbraw/zinc/90/88/71/951908871.db2.gz WFICKIJMNSYCBZ-CYBMUJFWSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575106953 951909685 /nfs/dbraw/zinc/90/96/85/951909685.db2.gz WHSMZRSUKXUAPW-OCCSQVGLSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575106953 951909691 /nfs/dbraw/zinc/90/96/91/951909691.db2.gz WHSMZRSUKXUAPW-OCCSQVGLSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107126 951913138 /nfs/dbraw/zinc/91/31/38/951913138.db2.gz ZLNSXBPQTKCHQC-ZDUSSCGKSA-N 0 3 386.460 0.124 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107126 951913142 /nfs/dbraw/zinc/91/31/42/951913142.db2.gz ZLNSXBPQTKCHQC-ZDUSSCGKSA-N 0 3 386.460 0.124 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575107162 951915237 /nfs/dbraw/zinc/91/52/37/951915237.db2.gz AGPACMMAEPJIAC-WFASDCNBSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575107162 951915282 /nfs/dbraw/zinc/91/52/82/951915282.db2.gz AGPACMMAEPJIAC-WFASDCNBSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575108765 951926528 /nfs/dbraw/zinc/92/65/28/951926528.db2.gz NHVJUBKJSSYHDX-GFCCVEGCSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575108765 951926535 /nfs/dbraw/zinc/92/65/35/951926535.db2.gz NHVJUBKJSSYHDX-GFCCVEGCSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114084 951953578 /nfs/dbraw/zinc/95/35/78/951953578.db2.gz MHAMBQGZZDEBIR-ZDUSSCGKSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114084 951953586 /nfs/dbraw/zinc/95/35/86/951953586.db2.gz MHAMBQGZZDEBIR-ZDUSSCGKSA-N 0 3 383.460 0.470 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114284 951953996 /nfs/dbraw/zinc/95/39/96/951953996.db2.gz OKTUXMUJJMCGNH-ZIAGYGMSSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114284 951953999 /nfs/dbraw/zinc/95/39/99/951953999.db2.gz OKTUXMUJJMCGNH-ZIAGYGMSSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114614 951959063 /nfs/dbraw/zinc/95/90/63/951959063.db2.gz RGQBGJHYMLMHBM-NWDGAFQWSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114614 951959067 /nfs/dbraw/zinc/95/90/67/951959067.db2.gz RGQBGJHYMLMHBM-NWDGAFQWSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115556 951967129 /nfs/dbraw/zinc/96/71/29/951967129.db2.gz YFEIAWMZVNYRAP-LBPRGKRZSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115556 951967137 /nfs/dbraw/zinc/96/71/37/951967137.db2.gz YFEIAWMZVNYRAP-LBPRGKRZSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575124151 952024281 /nfs/dbraw/zinc/02/42/81/952024281.db2.gz RUIBTZRNXLCTLM-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575124151 952024293 /nfs/dbraw/zinc/02/42/93/952024293.db2.gz RUIBTZRNXLCTLM-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575145986 952189821 /nfs/dbraw/zinc/18/98/21/952189821.db2.gz FGRMBVZQUGYGQX-LLVKDONJSA-N 0 3 385.432 0.306 20 0 GCADHN C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575167967 952339331 /nfs/dbraw/zinc/33/93/31/952339331.db2.gz KBSLLYDWQQFBLY-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575167967 952339334 /nfs/dbraw/zinc/33/93/34/952339334.db2.gz KBSLLYDWQQFBLY-ZDUSSCGKSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575185179 952430151 /nfs/dbraw/zinc/43/01/51/952430151.db2.gz MGLHJHXVIXWODQ-GFCCVEGCSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001575185180 952430358 /nfs/dbraw/zinc/43/03/58/952430358.db2.gz MGLHJHXVIXWODQ-LBPRGKRZSA-N 0 3 392.485 0.286 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575185380 952433251 /nfs/dbraw/zinc/43/32/51/952433251.db2.gz QNBBUKJKECZEKE-VXGBXAGGSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575185380 952433254 /nfs/dbraw/zinc/43/32/54/952433254.db2.gz QNBBUKJKECZEKE-VXGBXAGGSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575185949 952436366 /nfs/dbraw/zinc/43/63/66/952436366.db2.gz WYOUZOPSFYUFTC-KCPJHIHWSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575185949 952436370 /nfs/dbraw/zinc/43/63/70/952436370.db2.gz WYOUZOPSFYUFTC-KCPJHIHWSA-N 0 3 392.485 0.284 20 0 GCADHN COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001571117175 952480982 /nfs/dbraw/zinc/48/09/82/952480982.db2.gz IAFFFSMHOQCQJX-MGPQQGTHSA-N 0 3 375.429 0.737 20 0 GCADHN COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001571117175 952480985 /nfs/dbraw/zinc/48/09/85/952480985.db2.gz IAFFFSMHOQCQJX-MGPQQGTHSA-N 0 3 375.429 0.737 20 0 GCADHN COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001571117175 952480990 /nfs/dbraw/zinc/48/09/90/952480990.db2.gz IAFFFSMHOQCQJX-MGPQQGTHSA-N 0 3 375.429 0.737 20 0 GCADHN COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC001571117175 952480993 /nfs/dbraw/zinc/48/09/93/952480993.db2.gz IAFFFSMHOQCQJX-MGPQQGTHSA-N 0 3 375.429 0.737 20 0 GCADHN CC(F)(F)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001575207947 952537561 /nfs/dbraw/zinc/53/75/61/952537561.db2.gz WXKPKFOGVRERPX-UHFFFAOYSA-N 0 3 380.399 0.965 20 0 GCADHN CC(F)(F)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001575207947 952537564 /nfs/dbraw/zinc/53/75/64/952537564.db2.gz WXKPKFOGVRERPX-UHFFFAOYSA-N 0 3 380.399 0.965 20 0 GCADHN O=C(CCc1ncccn1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571142531 952643128 /nfs/dbraw/zinc/64/31/28/952643128.db2.gz UEDZJSHHMXOVQU-HNNXBMFYSA-N 0 3 378.440 0.980 20 0 GCADHN O=C(CCc1ncccn1)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571142531 952643130 /nfs/dbraw/zinc/64/31/30/952643130.db2.gz UEDZJSHHMXOVQU-HNNXBMFYSA-N 0 3 378.440 0.980 20 0 GCADHN Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@@H]3C2)n1 ZINC001571146480 952649325 /nfs/dbraw/zinc/64/93/25/952649325.db2.gz HOHLXSHEYAOTFR-GASCZTMLSA-N 0 3 379.428 0.199 20 0 GCADHN Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@@H]3C2)n1 ZINC001571146480 952649330 /nfs/dbraw/zinc/64/93/30/952649330.db2.gz HOHLXSHEYAOTFR-GASCZTMLSA-N 0 3 379.428 0.199 20 0 GCADHN Cn1ncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(-c5nn[n-]n5)cc4)C[C@@H]3C2)n1 ZINC001571146480 952649334 /nfs/dbraw/zinc/64/93/34/952649334.db2.gz HOHLXSHEYAOTFR-GASCZTMLSA-N 0 3 379.428 0.199 20 0 GCADHN Cn1ncc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(-c5nn[n-]n5)cc4)C[C@@H]3C2)n1 ZINC001571146480 952649337 /nfs/dbraw/zinc/64/93/37/952649337.db2.gz HOHLXSHEYAOTFR-GASCZTMLSA-N 0 3 379.428 0.199 20 0 GCADHN O=C(c1cn[nH]c(=O)c1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571160073 952722883 /nfs/dbraw/zinc/72/28/83/952722883.db2.gz CQMHANJUTLJMDU-OAHLLOKOSA-N 0 3 380.412 0.757 20 0 GCADHN O=C(c1cn[nH]c(=O)c1)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571160073 952722886 /nfs/dbraw/zinc/72/28/86/952722886.db2.gz CQMHANJUTLJMDU-OAHLLOKOSA-N 0 3 380.412 0.757 20 0 GCADHN NC(=O)c1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c[nH]1 ZINC001571161025 952729253 /nfs/dbraw/zinc/72/92/53/952729253.db2.gz OXBHAVUUHMBMAN-AWEZNQCLSA-N 0 3 380.412 0.298 20 0 GCADHN NC(=O)c1cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c[nH]1 ZINC001571161025 952729255 /nfs/dbraw/zinc/72/92/55/952729255.db2.gz OXBHAVUUHMBMAN-AWEZNQCLSA-N 0 3 380.412 0.298 20 0 GCADHN Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)o1 ZINC001571161471 952733211 /nfs/dbraw/zinc/73/32/11/952733211.db2.gz WRQSULFHSDYODH-HALDLXJZSA-N 0 3 380.412 0.347 20 0 GCADHN Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)o1 ZINC001571161471 952733213 /nfs/dbraw/zinc/73/32/13/952733213.db2.gz WRQSULFHSDYODH-HALDLXJZSA-N 0 3 380.412 0.347 20 0 GCADHN Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)o1 ZINC001571161471 952733215 /nfs/dbraw/zinc/73/32/15/952733215.db2.gz WRQSULFHSDYODH-HALDLXJZSA-N 0 3 380.412 0.347 20 0 GCADHN Cc1nnc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)o1 ZINC001571161471 952733217 /nfs/dbraw/zinc/73/32/17/952733217.db2.gz WRQSULFHSDYODH-HALDLXJZSA-N 0 3 380.412 0.347 20 0 GCADHN O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571180150 952857244 /nfs/dbraw/zinc/85/72/44/952857244.db2.gz MFDWWBGUVXKPIJ-IJEWVQPXSA-N 0 3 381.440 0.036 20 0 GCADHN O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571180150 952857249 /nfs/dbraw/zinc/85/72/49/952857249.db2.gz MFDWWBGUVXKPIJ-IJEWVQPXSA-N 0 3 381.440 0.036 20 0 GCADHN O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571180150 952857258 /nfs/dbraw/zinc/85/72/58/952857258.db2.gz MFDWWBGUVXKPIJ-IJEWVQPXSA-N 0 3 381.440 0.036 20 0 GCADHN O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571180150 952857263 /nfs/dbraw/zinc/85/72/63/952857263.db2.gz MFDWWBGUVXKPIJ-IJEWVQPXSA-N 0 3 381.440 0.036 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001571181383 952863278 /nfs/dbraw/zinc/86/32/78/952863278.db2.gz VRMPLRCPJJKUAD-BBRMVZONSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001571181383 952863282 /nfs/dbraw/zinc/86/32/82/952863282.db2.gz VRMPLRCPJJKUAD-BBRMVZONSA-N 0 3 381.444 0.800 20 0 GCADHN CCn1nncc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571185591 952903276 /nfs/dbraw/zinc/90/32/76/952903276.db2.gz NTRYPCKFHNMIGK-DOMZBBRYSA-N 0 3 381.444 0.728 20 0 GCADHN CCn1nncc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571185591 952903279 /nfs/dbraw/zinc/90/32/79/952903279.db2.gz NTRYPCKFHNMIGK-DOMZBBRYSA-N 0 3 381.444 0.728 20 0 GCADHN Cc1cc(N[C@H](C)[C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188130 952912597 /nfs/dbraw/zinc/91/25/97/952912597.db2.gz GEVDIWWRNTUJRN-OLZOCXBDSA-N 0 3 381.444 0.607 20 0 GCADHN O=C(Cn1ccnc1)N1CCCCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571188725 952919283 /nfs/dbraw/zinc/91/92/83/952919283.db2.gz GTSNNJIQGALCJG-AWEZNQCLSA-N 0 3 381.444 0.763 20 0 GCADHN O=C(Cn1cncn1)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571188923 952921607 /nfs/dbraw/zinc/92/16/07/952921607.db2.gz KFNJLCROVHWFAS-UHFFFAOYSA-N 0 3 381.444 0.487 20 0 GCADHN O=C(Cn1cncn1)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571188923 952921608 /nfs/dbraw/zinc/92/16/08/952921608.db2.gz KFNJLCROVHWFAS-UHFFFAOYSA-N 0 3 381.444 0.487 20 0 GCADHN Cc1cncn1CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H]1C ZINC001571189026 952922709 /nfs/dbraw/zinc/92/27/09/952922709.db2.gz PUOMDFRIPYPHTR-HIFRSBDPSA-N 0 3 381.444 0.598 20 0 GCADHN Cc1cnc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)cn1 ZINC001571189111 952924939 /nfs/dbraw/zinc/92/49/39/952924939.db2.gz SHLFAFARKILYTN-NHYWBVRUSA-N 0 3 381.444 0.934 20 0 GCADHN Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)Cc2ncc[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189500 952930691 /nfs/dbraw/zinc/93/06/91/952930691.db2.gz WETQWESMWSPAFD-OCCSQVGLSA-N 0 3 381.444 0.655 20 0 GCADHN Cn1nccc1C[NH2+][C@@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2 ZINC001571189714 952933814 /nfs/dbraw/zinc/93/38/14/952933814.db2.gz SFCQFGXHRXCONF-CABCVRRESA-N 0 3 381.444 0.759 20 0 GCADHN Cn1nccc1C[NH2+][C@@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2 ZINC001571189714 952933818 /nfs/dbraw/zinc/93/38/18/952933818.db2.gz SFCQFGXHRXCONF-CABCVRRESA-N 0 3 381.444 0.759 20 0 GCADHN Cn1ncc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001571189804 952934899 /nfs/dbraw/zinc/93/48/99/952934899.db2.gz VNRTZVCZTKRBNV-HIFRSBDPSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1ncc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001571189804 952934903 /nfs/dbraw/zinc/93/49/03/952934903.db2.gz VNRTZVCZTKRBNV-HIFRSBDPSA-N 0 3 381.444 0.684 20 0 GCADHN Cn1cc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)nn1 ZINC001571189861 952936473 /nfs/dbraw/zinc/93/64/73/952936473.db2.gz XXKAGKOJDPEFQG-SHTZXODSSA-N 0 3 381.444 0.826 20 0 GCADHN Cn1cc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC001571189861 952936477 /nfs/dbraw/zinc/93/64/77/952936477.db2.gz XXKAGKOJDPEFQG-SHTZXODSSA-N 0 3 381.444 0.826 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ncc[nH]2)cc1-c1nnn[n-]1 ZINC001571199088 952996760 /nfs/dbraw/zinc/99/67/60/952996760.db2.gz LJYSPQNUVIMCEY-ZDUSSCGKSA-N 0 3 382.428 0.993 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ncc[nH]2)cc1-c1nn[n-]n1 ZINC001571199088 952996764 /nfs/dbraw/zinc/99/67/64/952996764.db2.gz LJYSPQNUVIMCEY-ZDUSSCGKSA-N 0 3 382.428 0.993 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571200399 953008670 /nfs/dbraw/zinc/00/86/70/953008670.db2.gz IHSZUDXKABDCNL-BXUZGUMPSA-N 0 3 382.428 0.556 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571200399 953008674 /nfs/dbraw/zinc/00/86/74/953008674.db2.gz IHSZUDXKABDCNL-BXUZGUMPSA-N 0 3 382.428 0.556 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001571200440 953008853 /nfs/dbraw/zinc/00/88/53/953008853.db2.gz ISHJUFWFQRWYJB-IAQYHMDHSA-N 0 3 382.428 0.144 20 0 GCADHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001571200440 953008855 /nfs/dbraw/zinc/00/88/55/953008855.db2.gz ISHJUFWFQRWYJB-IAQYHMDHSA-N 0 3 382.428 0.144 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571206640 953053689 /nfs/dbraw/zinc/05/36/89/953053689.db2.gz VUBKJOBDCZURHI-JSGCOSHPSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571206640 953053692 /nfs/dbraw/zinc/05/36/92/953053692.db2.gz VUBKJOBDCZURHI-JSGCOSHPSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001571206640 953053695 /nfs/dbraw/zinc/05/36/95/953053695.db2.gz VUBKJOBDCZURHI-JSGCOSHPSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1ccccc1-c1nn[n-]n1 ZINC001571206640 953053697 /nfs/dbraw/zinc/05/36/97/953053697.db2.gz VUBKJOBDCZURHI-JSGCOSHPSA-N 0 3 382.432 0.023 20 0 GCADHN Cc1nonc1CC(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571206932 953056908 /nfs/dbraw/zinc/05/69/08/953056908.db2.gz UGBMOBQBJPGUPE-UHFFFAOYSA-N 0 3 382.428 0.881 20 0 GCADHN Cc1nonc1CC(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571206932 953056912 /nfs/dbraw/zinc/05/69/12/953056912.db2.gz UGBMOBQBJPGUPE-UHFFFAOYSA-N 0 3 382.428 0.881 20 0 GCADHN Cn1nnc(C(=O)NCC2CC[NH+](Cc3ccccc3-c3nnn[n-]3)CC2)n1 ZINC001571210348 953071436 /nfs/dbraw/zinc/07/14/36/953071436.db2.gz PMPKKLPFXAPVJL-UHFFFAOYSA-N 0 3 382.432 0.032 20 0 GCADHN Cn1nnc(C(=O)NCC2CC[NH+](Cc3ccccc3-c3nn[n-]n3)CC2)n1 ZINC001571210348 953071437 /nfs/dbraw/zinc/07/14/37/953071437.db2.gz PMPKKLPFXAPVJL-UHFFFAOYSA-N 0 3 382.432 0.032 20 0 GCADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001571210716 953073779 /nfs/dbraw/zinc/07/37/79/953073779.db2.gz VWLWVYDVAHMLES-UHFFFAOYSA-N 0 3 382.432 0.025 20 0 GCADHN Cc1cc(N[C@H]2CCN(C(=O)Cc3nnc[nH]3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212110 953084412 /nfs/dbraw/zinc/08/44/12/953084412.db2.gz IZIXCXNQJSNEBT-MFKMUULPSA-N 0 3 382.432 0.002 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001571212412 953088369 /nfs/dbraw/zinc/08/83/69/953088369.db2.gz LHDKNTWXKGPYFM-LZWOXQAQSA-N 0 3 382.472 0.971 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001571212412 953088376 /nfs/dbraw/zinc/08/83/76/953088376.db2.gz LHDKNTWXKGPYFM-LZWOXQAQSA-N 0 3 382.472 0.971 20 0 GCADHN CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571213667 953096244 /nfs/dbraw/zinc/09/62/44/953096244.db2.gz STYNSEBQCAVFCF-YQQAZPJKSA-N 0 3 382.472 0.926 20 0 GCADHN CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571213667 953096248 /nfs/dbraw/zinc/09/62/48/953096248.db2.gz STYNSEBQCAVFCF-YQQAZPJKSA-N 0 3 382.472 0.926 20 0 GCADHN CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571230406 953176979 /nfs/dbraw/zinc/17/69/79/953176979.db2.gz CPACPJJYMOPALJ-XNRPHZJLSA-N 0 3 383.456 0.472 20 0 GCADHN CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571230406 953176982 /nfs/dbraw/zinc/17/69/82/953176982.db2.gz CPACPJJYMOPALJ-XNRPHZJLSA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001571230902 953181488 /nfs/dbraw/zinc/18/14/88/953181488.db2.gz NCHUOFPLWDXEJG-UYHMYPTGSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001571230902 953181491 /nfs/dbraw/zinc/18/14/91/953181491.db2.gz NCHUOFPLWDXEJG-UYHMYPTGSA-N 0 3 383.456 0.518 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571231160 953183275 /nfs/dbraw/zinc/18/32/75/953183275.db2.gz UPTNLFFYTWHQKR-ZBFHGGJFSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571231160 953183279 /nfs/dbraw/zinc/18/32/79/953183279.db2.gz UPTNLFFYTWHQKR-ZBFHGGJFSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1=O ZINC001571231563 953185423 /nfs/dbraw/zinc/18/54/23/953185423.db2.gz ZUSDYFGNPRTJKE-YUELXQCFSA-N 0 3 383.456 0.329 20 0 GCADHN CN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1=O ZINC001571231563 953185426 /nfs/dbraw/zinc/18/54/26/953185426.db2.gz ZUSDYFGNPRTJKE-YUELXQCFSA-N 0 3 383.456 0.329 20 0 GCADHN O=C(NC[C@@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC(=O)N1 ZINC001571232122 953185880 /nfs/dbraw/zinc/18/58/80/953185880.db2.gz BNMJENXVNZMJBM-JKSUJKDBSA-N 0 3 383.456 0.616 20 0 GCADHN C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571232224 953186248 /nfs/dbraw/zinc/18/62/48/953186248.db2.gz CFCHOHKTVAHNBT-OLZOCXBDSA-N 0 3 383.460 0.959 20 0 GCADHN C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571232224 953186250 /nfs/dbraw/zinc/18/62/50/953186250.db2.gz CFCHOHKTVAHNBT-OLZOCXBDSA-N 0 3 383.460 0.959 20 0 GCADHN O=C([C@H]1CCC(=O)NC1)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571232495 953187697 /nfs/dbraw/zinc/18/76/97/953187697.db2.gz GTIINDIUGBEAIB-ZBFHGGJFSA-N 0 3 383.456 0.331 20 0 GCADHN O=C([C@H]1CCC(=O)NC1)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571232495 953187699 /nfs/dbraw/zinc/18/76/99/953187699.db2.gz GTIINDIUGBEAIB-ZBFHGGJFSA-N 0 3 383.456 0.331 20 0 GCADHN C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571232677 953188731 /nfs/dbraw/zinc/18/87/31/953188731.db2.gz IZWMCWHJZKNQBA-JSGCOSHPSA-N 0 3 383.460 0.544 20 0 GCADHN O=C([C@H]1CCC(=O)NC1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571233500 953193096 /nfs/dbraw/zinc/19/30/96/953193096.db2.gz WSBJVEARDMEWCF-ZFWWWQNUSA-N 0 3 383.456 0.331 20 0 GCADHN O=C([C@H]1CCC(=O)NC1)N1CC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571233500 953193099 /nfs/dbraw/zinc/19/30/99/953193099.db2.gz WSBJVEARDMEWCF-ZFWWWQNUSA-N 0 3 383.456 0.331 20 0 GCADHN NC(=O)[C@H]1CC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571233634 953194570 /nfs/dbraw/zinc/19/45/70/953194570.db2.gz ZALYLTQCSBCHEF-QCEMKRCNSA-N 0 3 383.456 0.363 20 0 GCADHN NC(=O)[C@H]1CC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571233634 953194573 /nfs/dbraw/zinc/19/45/73/953194573.db2.gz ZALYLTQCSBCHEF-QCEMKRCNSA-N 0 3 383.456 0.363 20 0 GCADHN Cc1nn(C)cc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571234131 953199325 /nfs/dbraw/zinc/19/93/25/953199325.db2.gz NXHNEWMONJNTLK-AAEUAGOBSA-N 0 3 383.460 0.877 20 0 GCADHN Cc1nn(C)cc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571234131 953199327 /nfs/dbraw/zinc/19/93/27/953199327.db2.gz NXHNEWMONJNTLK-AAEUAGOBSA-N 0 3 383.460 0.877 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)Cn1ccnc1 ZINC001571238868 953233193 /nfs/dbraw/zinc/23/31/93/953233193.db2.gz BLHJBFKQUQENCU-MLGOLLRUSA-N 0 3 384.419 0.982 20 0 GCADHN C[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571239154 953236610 /nfs/dbraw/zinc/23/66/10/953236610.db2.gz GOZLPEPNJLSVHE-ZBEGNZNMSA-N 0 3 384.419 0.990 20 0 GCADHN C[C@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571239154 953236612 /nfs/dbraw/zinc/23/66/12/953236612.db2.gz GOZLPEPNJLSVHE-ZBEGNZNMSA-N 0 3 384.419 0.990 20 0 GCADHN Cc1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)c1 ZINC001571242041 953252638 /nfs/dbraw/zinc/25/26/38/953252638.db2.gz UARHHEUDSFHELH-AWEZNQCLSA-N 0 3 384.419 0.901 20 0 GCADHN Cc1cnn(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)c1 ZINC001571242041 953252640 /nfs/dbraw/zinc/25/26/40/953252640.db2.gz UARHHEUDSFHELH-AWEZNQCLSA-N 0 3 384.419 0.901 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571243179 953264093 /nfs/dbraw/zinc/26/40/93/953264093.db2.gz YCPLBQYYBLEOGN-DGCLKSJQSA-N 0 3 384.444 0.010 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571243179 953264097 /nfs/dbraw/zinc/26/40/97/953264097.db2.gz YCPLBQYYBLEOGN-DGCLKSJQSA-N 0 3 384.444 0.010 20 0 GCADHN CC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@H]1[NH2+]Cc1cnnn1C ZINC001571245021 953269126 /nfs/dbraw/zinc/26/91/26/953269126.db2.gz CNOBINMMFLOCGT-SMDDNHRTSA-N 0 3 384.448 0.354 20 0 GCADHN CC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@H]1[NH2+]Cc1cnnn1C ZINC001571245021 953269127 /nfs/dbraw/zinc/26/91/27/953269127.db2.gz CNOBINMMFLOCGT-SMDDNHRTSA-N 0 3 384.448 0.354 20 0 GCADHN CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571245380 953273015 /nfs/dbraw/zinc/27/30/15/953273015.db2.gz HDNXVOPUONGCAX-YPMHNXCESA-N 0 3 384.448 0.304 20 0 GCADHN CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571245380 953273020 /nfs/dbraw/zinc/27/30/20/953273020.db2.gz HDNXVOPUONGCAX-YPMHNXCESA-N 0 3 384.448 0.304 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571245927 953278409 /nfs/dbraw/zinc/27/84/09/953278409.db2.gz OXOPNDZYBBUHEY-GWCFXTLKSA-N 0 3 384.448 0.296 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571245927 953278411 /nfs/dbraw/zinc/27/84/11/953278411.db2.gz OXOPNDZYBBUHEY-GWCFXTLKSA-N 0 3 384.448 0.296 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)[C@@H](c2cnn(C)c2)C1 ZINC001571246022 953279204 /nfs/dbraw/zinc/27/92/04/953279204.db2.gz QZWGHCJZAVKERA-GXTWGEPZSA-N 0 3 384.448 0.776 20 0 GCADHN CC(C)[N@H+]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)[C@@H](c2cnn(C)c2)C1 ZINC001571246022 953279208 /nfs/dbraw/zinc/27/92/08/953279208.db2.gz QZWGHCJZAVKERA-GXTWGEPZSA-N 0 3 384.448 0.776 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001571248809 953297961 /nfs/dbraw/zinc/29/79/61/953297961.db2.gz JBIGHMLAFZEGNH-TUKIKUTGSA-N 0 3 384.444 0.010 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001571248809 953297963 /nfs/dbraw/zinc/29/79/63/953297963.db2.gz JBIGHMLAFZEGNH-TUKIKUTGSA-N 0 3 384.444 0.010 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001571248809 953297966 /nfs/dbraw/zinc/29/79/66/953297966.db2.gz JBIGHMLAFZEGNH-TUKIKUTGSA-N 0 3 384.444 0.010 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001571248809 953297967 /nfs/dbraw/zinc/29/79/67/953297967.db2.gz JBIGHMLAFZEGNH-TUKIKUTGSA-N 0 3 384.444 0.010 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)CC[N@@H+]1C ZINC001571251964 953321399 /nfs/dbraw/zinc/32/13/99/953321399.db2.gz CVHRSRXLUVYRKW-JKSUJKDBSA-N 0 3 384.488 0.949 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)CC[N@H+]1C ZINC001571251964 953321402 /nfs/dbraw/zinc/32/14/02/953321402.db2.gz CVHRSRXLUVYRKW-JKSUJKDBSA-N 0 3 384.488 0.949 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)CC[N@@H+]1C ZINC001571251964 953321408 /nfs/dbraw/zinc/32/14/08/953321408.db2.gz CVHRSRXLUVYRKW-JKSUJKDBSA-N 0 3 384.488 0.949 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)CC[N@H+]1C ZINC001571251964 953321413 /nfs/dbraw/zinc/32/14/13/953321413.db2.gz CVHRSRXLUVYRKW-JKSUJKDBSA-N 0 3 384.488 0.949 20 0 GCADHN Cc1nc(N2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)ccc1-c1nn[n-]n1 ZINC001571252497 953330194 /nfs/dbraw/zinc/33/01/94/953330194.db2.gz NXDRRMIXGBEBKD-OAHLLOKOSA-N 0 3 384.488 0.949 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)CC[N@@H+]1C ZINC001571252750 953333027 /nfs/dbraw/zinc/33/30/27/953333027.db2.gz VQQFZBRBMUSDSI-OFQRWUPVSA-N 0 3 384.488 0.995 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)CC[N@H+]1C ZINC001571252750 953333030 /nfs/dbraw/zinc/33/30/30/953333030.db2.gz VQQFZBRBMUSDSI-OFQRWUPVSA-N 0 3 384.488 0.995 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)CC[N@@H+]1C ZINC001571252750 953333034 /nfs/dbraw/zinc/33/30/34/953333034.db2.gz VQQFZBRBMUSDSI-OFQRWUPVSA-N 0 3 384.488 0.995 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)CC[N@H+]1C ZINC001571252750 953333039 /nfs/dbraw/zinc/33/30/39/953333039.db2.gz VQQFZBRBMUSDSI-OFQRWUPVSA-N 0 3 384.488 0.995 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)c1ncn(C)n1 ZINC001571255429 953348851 /nfs/dbraw/zinc/34/88/51/953348851.db2.gz PGFMUNVQAYMQMH-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)c1ncn(C)n1 ZINC001571255429 953348857 /nfs/dbraw/zinc/34/88/57/953348857.db2.gz PGFMUNVQAYMQMH-QMTHXVAHSA-N 0 3 385.407 0.527 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)c1cn[nH]n1 ZINC001571255711 953354435 /nfs/dbraw/zinc/35/44/35/953354435.db2.gz SNRBVSHCZQQTCV-CMPLNLGQSA-N 0 3 385.407 0.907 20 0 GCADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001594636433 956375858 /nfs/dbraw/zinc/37/58/58/956375858.db2.gz HCJNWBABXWSJDJ-UHFFFAOYSA-N 0 3 395.504 0.051 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C(=O)[O-])c3ccnn3C)CC2)CC1 ZINC001596409086 983988830 /nfs/dbraw/zinc/98/88/30/983988830.db2.gz TYPSNOAMNHPMJG-QGZVFWFLSA-N 0 3 377.489 0.858 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1=O ZINC001596418764 984046547 /nfs/dbraw/zinc/04/65/47/984046547.db2.gz TZDTWKMELVLQQG-HZPDHXFCSA-N 0 3 394.516 0.327 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1=O ZINC001596418764 984046553 /nfs/dbraw/zinc/04/65/53/984046553.db2.gz TZDTWKMELVLQQG-HZPDHXFCSA-N 0 3 394.516 0.327 20 0 GCADHN C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC001594516853 985919337 /nfs/dbraw/zinc/91/93/37/985919337.db2.gz UJNXUZMQWYGEJA-GTPINHCMSA-N 0 3 381.521 0.393 20 0 GCADHN CC(C)(C(=O)[O-])N1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC001589623911 987518692 /nfs/dbraw/zinc/51/86/92/987518692.db2.gz UADALLAMXHJRPP-IRXDYDNUSA-N 0 3 396.532 0.945 20 0 GCADHN CN1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C[C@H](C(=O)[O-])C1 ZINC001598214724 990872964 /nfs/dbraw/zinc/87/29/64/990872964.db2.gz PFPOJPIUMNWERK-ZIAGYGMSSA-N 0 3 386.493 0.306 20 0 GCADHN CN1CCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C(=O)[O-])C1 ZINC001598236052 990957625 /nfs/dbraw/zinc/95/76/25/990957625.db2.gz LVZDJGGSNDKHAF-QGZVFWFLSA-N 0 3 392.500 0.827 20 0 GCADHN CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)[C@H](c2cnn(C)c2)C1 ZINC001591610747 992858866 /nfs/dbraw/zinc/85/88/66/992858866.db2.gz IPHPCQLDTRYSAS-BZSNNMDCSA-N 0 3 391.516 0.709 20 0 GCADHN CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)[C@H](c2cnn(C)c2)C1 ZINC001591610747 992858869 /nfs/dbraw/zinc/85/88/69/992858869.db2.gz IPHPCQLDTRYSAS-BZSNNMDCSA-N 0 3 391.516 0.709 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1cccs1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264328069 530155767 /nfs/dbraw/zinc/15/57/67/530155767.db2.gz WNOVGVOVIKLVRE-UHFFFAOYSA-N 0 3 387.527 0.788 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000583934642 530117033 /nfs/dbraw/zinc/11/70/33/530117033.db2.gz PIULVUNSSBUYNN-CMPLNLGQSA-N 0 3 375.878 1.000 20 0 GCADHN C[C@H](N)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000648129028 530119098 /nfs/dbraw/zinc/11/90/98/530119098.db2.gz GIKNPCUDUIONCI-GWCFXTLKSA-N 0 3 375.878 0.337 20 0 GCADHN C[C@H](N)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000648129029 530119223 /nfs/dbraw/zinc/11/92/23/530119223.db2.gz GIKNPCUDUIONCI-GXFFZTMASA-N 0 3 375.878 0.337 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)NCc1c(Br)cnn1C ZINC000637630702 530119975 /nfs/dbraw/zinc/11/99/75/530119975.db2.gz BYVLOCFFYXVKRE-UHFFFAOYSA-N 0 3 387.326 0.962 20 0 GCADHN O=S(=O)([N-]CC1CC[NH2+]CC1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000571522287 530126265 /nfs/dbraw/zinc/12/62/65/530126265.db2.gz JVMMSLUFXOIPHW-UHFFFAOYSA-N 0 3 387.527 0.749 20 0 GCADHN CCN1CCN(CCCCNC(=O)NCC(C)(C)NS(C)(=O)=O)CC1 ZINC000069076383 530129684 /nfs/dbraw/zinc/12/96/84/530129684.db2.gz HRHIWYCKWAVUQO-UHFFFAOYSA-N 0 3 377.555 0.031 20 0 GCADHN COCC1(CNC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC[NH2+]CC1 ZINC000261808878 530130462 /nfs/dbraw/zinc/13/04/62/530130462.db2.gz WNJOQIFQJWEMNS-GFCCVEGCSA-N 0 3 375.516 0.547 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000262070301 530131649 /nfs/dbraw/zinc/13/16/49/530131649.db2.gz JWJBWUMXOIZEDA-AWEZNQCLSA-N 0 3 385.262 0.603 20 0 GCADHN COCCNCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000262101068 530131971 /nfs/dbraw/zinc/13/19/71/530131971.db2.gz IUFVANKANSDWET-CYBMUJFWSA-N 0 3 375.516 0.562 20 0 GCADHN CC1CCN(C[C@@H](O)CNC(=O)NCC2(CS(C)(=O)=O)CCC2)CC1 ZINC000413845062 530137589 /nfs/dbraw/zinc/13/75/89/530137589.db2.gz JOYVSDPURDQKQX-HNNXBMFYSA-N 0 3 375.535 0.593 20 0 GCADHN CC1(C)CNCCN1C(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000647841508 530137615 /nfs/dbraw/zinc/13/76/15/530137615.db2.gz ZWXWJRAYRNSNTL-UHFFFAOYSA-N 0 3 390.303 0.938 20 0 GCADHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)[C@H](C)C(=O)NC1CCCC1 ZINC000414232202 530141654 /nfs/dbraw/zinc/14/16/54/530141654.db2.gz WIBXYSOZHSEXKE-VXGBXAGGSA-N 0 3 376.475 0.305 20 0 GCADHN CC(C)OC(=O)CNC(=O)[C@@H](C)S(=O)(=O)C(C)C(=O)NC1CCCC1 ZINC000414232202 530141656 /nfs/dbraw/zinc/14/16/56/530141656.db2.gz WIBXYSOZHSEXKE-VXGBXAGGSA-N 0 3 376.475 0.305 20 0 GCADHN CC(C)OC(=O)CNC(=O)[C@H](C)S(=O)(=O)C(C)C(=O)N1CCCCC1 ZINC000414230901 530141797 /nfs/dbraw/zinc/14/17/97/530141797.db2.gz UIKSJVSEXOTJTI-STQMWFEESA-N 0 3 376.475 0.259 20 0 GCADHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)[C@@H](C)C(=O)N1CCCCC1 ZINC000414230901 530141801 /nfs/dbraw/zinc/14/18/01/530141801.db2.gz UIKSJVSEXOTJTI-STQMWFEESA-N 0 3 376.475 0.259 20 0 GCADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000647889216 530188555 /nfs/dbraw/zinc/18/85/55/530188555.db2.gz YTKZGWOSAHNLAS-CMPLNLGQSA-N 0 3 375.878 0.917 20 0 GCADHN Cc1ccc(Br)c(S(=O)(=O)NCCN[C@@H](C)CC(N)=O)c1 ZINC000556912225 530190088 /nfs/dbraw/zinc/19/00/88/530190088.db2.gz PLVARSNOVBPHSA-JTQLQIEISA-N 0 3 378.292 0.889 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000564829206 530192942 /nfs/dbraw/zinc/19/29/42/530192942.db2.gz ZZXJZIAGHRJZJV-NEPJUHHUSA-N 0 3 382.258 0.907 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC1CNC1)c1cc2c(cc1Br)OCCO2 ZINC000557250919 530194217 /nfs/dbraw/zinc/19/42/17/530194217.db2.gz SMQKMLWGNBPHCM-MRVPVSSYSA-N 0 3 384.230 0.486 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000557297867 530194372 /nfs/dbraw/zinc/19/43/72/530194372.db2.gz STABZPGBGGHRLK-UHFFFAOYSA-N 0 3 387.303 0.243 20 0 GCADHN Cc1cccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c1Br ZINC000557265034 530194627 /nfs/dbraw/zinc/19/46/27/530194627.db2.gz LHBCPTMUWLFBIB-CYBMUJFWSA-N 0 3 383.290 0.475 20 0 GCADHN COCCCN(C)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000266175409 530196625 /nfs/dbraw/zinc/19/66/25/530196625.db2.gz VNFDUOREWOGJQU-UHFFFAOYSA-N 0 3 375.466 0.774 20 0 GCADHN CCN(CC)[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000266190984 530197198 /nfs/dbraw/zinc/19/71/98/530197198.db2.gz GAWOTTJKCVSJEL-GFCCVEGCSA-N 0 3 375.516 0.658 20 0 GCADHN CCC[C@H](C(=O)NCC1(N2CCC(OC)CC2)CCCC1)S(N)(=O)=O ZINC000668437765 530198044 /nfs/dbraw/zinc/19/80/44/530198044.db2.gz PTUZKBNAHXLAFK-OAHLLOKOSA-N 0 3 375.535 0.983 20 0 GCADHN O=S(=O)([N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc2c1OCO2 ZINC000517759109 530199526 /nfs/dbraw/zinc/19/95/26/530199526.db2.gz ISFUBPUDTHENPH-GFCCVEGCSA-N 0 3 381.376 0.530 20 0 GCADHN CCN(CCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C1CC1 ZINC000066101145 530207438 /nfs/dbraw/zinc/20/74/38/530207438.db2.gz AEADCIYXLHRDBA-UHFFFAOYSA-N 0 3 397.277 0.493 20 0 GCADHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000266335412 530199995 /nfs/dbraw/zinc/19/99/95/530199995.db2.gz UKJBMRRKKMKTJM-ZDUSSCGKSA-N 0 3 375.516 0.700 20 0 GCADHN CN1CCC(O)(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000267035164 530207525 /nfs/dbraw/zinc/20/75/25/530207525.db2.gz BRLOAYQODJNRCZ-UHFFFAOYSA-N 0 3 389.905 0.581 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)NC2CCN(CCOC)CC2)[C@H](C)C1 ZINC000557877705 530202979 /nfs/dbraw/zinc/20/29/79/530202979.db2.gz SNXIMYBJBOBLHQ-CQSZACIVSA-N 0 3 376.523 0.163 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOCC[NH2+]C)cc1F ZINC000624395193 530203093 /nfs/dbraw/zinc/20/30/93/530203093.db2.gz LLTFRDQRGKCHRZ-UHFFFAOYSA-N 0 3 397.494 0.492 20 0 GCADHN C[C@H](Cn1cc(Br)cn1)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000558255212 530207722 /nfs/dbraw/zinc/20/77/22/530207722.db2.gz KTYAFCXVXLGRGU-DGCLKSJQSA-N 0 3 394.339 0.895 20 0 GCADHN CN1CCC(O)(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000266782141 530204640 /nfs/dbraw/zinc/20/46/40/530204640.db2.gz TXYCVMWGMXXFGK-ZDUSSCGKSA-N 0 3 387.527 0.474 20 0 GCADHN CN(C)S(=O)(=O)c1ccsc1C(=O)N(C)CCCN1CCN(C)CC1 ZINC000264699542 530164799 /nfs/dbraw/zinc/16/47/99/530164799.db2.gz BWMSPFNYSZDESA-UHFFFAOYSA-N 0 3 388.559 0.708 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NCCS(=O)(=O)N2CCSCC2)CCSC1 ZINC000530889543 530166875 /nfs/dbraw/zinc/16/68/75/530166875.db2.gz OTNNHEDWJKPILR-CQSZACIVSA-N 0 3 396.604 0.102 20 0 GCADHN CN(C)CCNC(=O)c1cc(I)ccc1-n1cnnn1 ZINC000516832591 530167909 /nfs/dbraw/zinc/16/79/09/530167909.db2.gz KBGMDQVTKIPKDC-UHFFFAOYSA-N 0 3 386.197 0.558 20 0 GCADHN C[N@@H+]1CCC[C@@H]1CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000264905166 530170678 /nfs/dbraw/zinc/17/06/78/530170678.db2.gz MIHBARHPEQQHSZ-SECBINFHSA-N 0 3 396.332 0.999 20 0 GCADHN C[N@H+]1CCC[C@@H]1CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000264905166 530170680 /nfs/dbraw/zinc/17/06/80/530170680.db2.gz MIHBARHPEQQHSZ-SECBINFHSA-N 0 3 396.332 0.999 20 0 GCADHN CCN(CC)CCN(C(=O)[C@@H]1CNCCC1(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000648149267 530171233 /nfs/dbraw/zinc/17/12/33/530171233.db2.gz FRULSIUTORGJMK-KBPBESRZSA-N 0 3 381.489 0.589 20 0 GCADHN Cn1ncc(Br)c1C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000556322954 530172998 /nfs/dbraw/zinc/17/29/98/530172998.db2.gz NPLQDVXDCFZWBJ-UHFFFAOYSA-N 0 3 386.294 0.905 20 0 GCADHN C[NH+](C)C1(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)CCOCC1 ZINC000264995152 530174235 /nfs/dbraw/zinc/17/42/35/530174235.db2.gz HPBGCHXRAIZZGE-UHFFFAOYSA-N 0 3 375.516 0.644 20 0 GCADHN CN1CCC(NC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000266949306 530206166 /nfs/dbraw/zinc/20/61/66/530206166.db2.gz SFJZACIMWLSFTO-UHFFFAOYSA-N 0 3 387.527 0.656 20 0 GCADHN CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000607253942 530175171 /nfs/dbraw/zinc/17/51/71/530175171.db2.gz XNWGLCJNPXOLCB-XHSDSOJGSA-N 0 3 375.535 0.734 20 0 GCADHN CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000500350827 530176707 /nfs/dbraw/zinc/17/67/07/530176707.db2.gz AVEIMVWFPJBXPH-LBPRGKRZSA-N 0 3 377.536 0.444 20 0 GCADHN [NH3+]C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000565481929 530177448 /nfs/dbraw/zinc/17/74/48/530177448.db2.gz MNSQJQFJXXUQGB-JTQLQIEISA-N 0 3 381.376 0.170 20 0 GCADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)N(C)C)c1 ZINC000047510953 530177582 /nfs/dbraw/zinc/17/75/82/530177582.db2.gz HEDHBSZGGPRKPR-NSHDSACASA-N 0 3 377.894 0.945 20 0 GCADHN CN(C)CCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl ZINC000265622862 530187112 /nfs/dbraw/zinc/18/71/12/530187112.db2.gz FKOPHINTKDEVDZ-UHFFFAOYSA-N 0 3 388.877 0.496 20 0 GCADHN COCCNCCNS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000262075522 530223330 /nfs/dbraw/zinc/22/33/30/530223330.db2.gz GLVOAXJDGMZTST-UHFFFAOYSA-N 0 3 397.291 0.981 20 0 GCADHN COCCn1cnnc1S(=O)(=O)C(C)C(=O)N1CCc2sccc2C1 ZINC000559160248 530223691 /nfs/dbraw/zinc/22/36/91/530223691.db2.gz IFEUQPDLDRSATG-LLVKDONJSA-N 0 3 384.483 0.733 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1nn(C)cc1Br ZINC000293167352 530224578 /nfs/dbraw/zinc/22/45/78/530224578.db2.gz VEBPYCUUZZDVJV-LBPRGKRZSA-N 0 3 386.294 0.855 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(CN(C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000268411832 530226819 /nfs/dbraw/zinc/22/68/19/530226819.db2.gz YVLDCRMQVNMVCL-UHFFFAOYSA-N 0 3 389.543 0.793 20 0 GCADHN O=S(=O)(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000268564751 530229124 /nfs/dbraw/zinc/22/91/24/530229124.db2.gz AGMUHBMMSOVWOM-CVEARBPZSA-N 0 3 387.527 0.511 20 0 GCADHN COCCCN(C)CCNC(=O)NCc1cc(S(C)(=O)=O)ccc1F ZINC000409695833 530231013 /nfs/dbraw/zinc/23/10/13/530231013.db2.gz RBXPPEJLACHKFI-UHFFFAOYSA-N 0 3 375.466 0.997 20 0 GCADHN CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000444505920 530231301 /nfs/dbraw/zinc/23/13/01/530231301.db2.gz GDOCYIASDLXWLY-JTQLQIEISA-N 0 3 387.278 0.933 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000268771990 530232311 /nfs/dbraw/zinc/23/23/11/530232311.db2.gz FIWOLOYMHDQWMG-XJKSGUPXSA-N 0 3 387.527 0.700 20 0 GCADHN COCCN(C)CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000269847115 530251689 /nfs/dbraw/zinc/25/16/89/530251689.db2.gz SLYHPLLPGCIPOG-UHFFFAOYSA-N 0 3 398.938 0.557 20 0 GCADHN O=C(N[C@H]1CC[NH2+]C1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000269127747 530235630 /nfs/dbraw/zinc/23/56/30/530235630.db2.gz GXVFJOSUHNCBHQ-STQMWFEESA-N 0 3 387.889 0.889 20 0 GCADHN O=C(N[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000269127737 530235816 /nfs/dbraw/zinc/23/58/16/530235816.db2.gz GXVFJOSUHNCBHQ-CHWSQXEVSA-N 0 3 387.889 0.889 20 0 GCADHN C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[C@@H]1[NH3+] ZINC000269282371 530237058 /nfs/dbraw/zinc/23/70/58/530237058.db2.gz QZOPAKQXIZBLAD-BDAKNGLRSA-N 0 3 396.332 0.985 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCN1CCC(O)CC1 ZINC000605543625 530245599 /nfs/dbraw/zinc/24/55/99/530245599.db2.gz ZJSOYHXVNVIOQL-INIZCTEOSA-N 0 3 375.535 0.544 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000647234496 530247839 /nfs/dbraw/zinc/24/78/39/530247839.db2.gz SAHALJSYKJRLNX-IINYFYTJSA-N 0 3 395.478 0.324 20 0 GCADHN C[C@H](N)[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CCO1 ZINC000647234446 530247973 /nfs/dbraw/zinc/24/79/73/530247973.db2.gz RFYKDLOYRVHXQP-GXFFZTMASA-N 0 3 396.918 0.621 20 0 GCADHN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCO[C@H]([C@@H](C)N)C2)c1 ZINC000647234474 530247989 /nfs/dbraw/zinc/24/79/89/530247989.db2.gz RTKJYKQTNQLOIY-OLZOCXBDSA-N 0 3 376.500 0.444 20 0 GCADHN CN1CCC(O)(CNC(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000269766683 530248261 /nfs/dbraw/zinc/24/82/61/530248261.db2.gz MUNQFZWZAWNUJF-UHFFFAOYSA-N 0 3 398.261 0.868 20 0 GCADHN CC(C(=O)N[C@](C)(C(=O)N(C)C)C(F)(F)F)S(=O)(=O)C1CCOCC1 ZINC000622898187 530250251 /nfs/dbraw/zinc/25/02/51/530250251.db2.gz IDCCLMXVZVUMTO-NOZJJQNGSA-N 0 3 388.408 0.494 20 0 GCADHN C[C@@H](Cn1cc(Br)cn1)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000558255215 530207866 /nfs/dbraw/zinc/20/78/66/530207866.db2.gz KTYAFCXVXLGRGU-WCQYABFASA-N 0 3 394.339 0.895 20 0 GCADHN CC(C(=O)N[C@](C)(C(=O)N(C)C)C(F)(F)F)S(=O)(=O)C1CCOCC1 ZINC000622898189 530250464 /nfs/dbraw/zinc/25/04/64/530250464.db2.gz IDCCLMXVZVUMTO-TVQRCGJNSA-N 0 3 388.408 0.494 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)CCSC1 ZINC000267287341 530211264 /nfs/dbraw/zinc/21/12/64/530211264.db2.gz HXNPXRKMAYJNMY-INIZCTEOSA-N 0 3 385.511 0.582 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CCSC1 ZINC000267360466 530211582 /nfs/dbraw/zinc/21/15/82/530211582.db2.gz SDBNZDHUWUZYII-INIZCTEOSA-N 0 3 385.511 0.582 20 0 GCADHN CN(C)S(=O)(=O)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000558621733 530212194 /nfs/dbraw/zinc/21/21/94/530212194.db2.gz GBFSORBABYUSJB-UHFFFAOYSA-N 0 3 378.564 0.539 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000267983927 530218984 /nfs/dbraw/zinc/21/89/84/530218984.db2.gz OTMZGMZZUDAYDQ-CHWSQXEVSA-N 0 3 377.532 0.888 20 0 GCADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC1(SC)CCN(C)CC1 ZINC000564410623 530271511 /nfs/dbraw/zinc/27/15/11/530271511.db2.gz CWCKHMJTYSAJOP-ZDUSSCGKSA-N 0 3 379.548 0.676 20 0 GCADHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000271479762 530272592 /nfs/dbraw/zinc/27/25/92/530272592.db2.gz IVMXKYPZZJQFHD-QWHCGFSZSA-N 0 3 375.516 0.527 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000271577050 530273474 /nfs/dbraw/zinc/27/34/74/530273474.db2.gz BGDVNQGKIROIKB-UHFFFAOYSA-N 0 3 376.866 0.718 20 0 GCADHN C[C@@H]([NH3+])CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000647273126 530273512 /nfs/dbraw/zinc/27/35/12/530273512.db2.gz AJEOGIKKVWMIGP-MRVPVSSYSA-N 0 3 375.394 0.153 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(I)c1 ZINC000123430899 530274499 /nfs/dbraw/zinc/27/44/99/530274499.db2.gz PWFQSPOWLXNCTE-NSHDSACASA-N 0 3 391.209 0.268 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2ccc(F)cc2Br)[C@@H](CN)C1 ZINC000561230961 530275125 /nfs/dbraw/zinc/27/51/25/530275125.db2.gz USVPIAJWBFFGQE-LBPRGKRZSA-N 0 3 387.253 0.306 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2ccc(F)cc2Br)[C@H](CN)C1 ZINC000561230954 530275261 /nfs/dbraw/zinc/27/52/61/530275261.db2.gz USVPIAJWBFFGQE-GFCCVEGCSA-N 0 3 387.253 0.306 20 0 GCADHN CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)[C@@H](CN)C1 ZINC000572600427 530276802 /nfs/dbraw/zinc/27/68/02/530276802.db2.gz UYTLDSGUMJJJDS-DOMZBBRYSA-N 0 3 395.301 0.903 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)N(C)C1CC1 ZINC000124984830 530277068 /nfs/dbraw/zinc/27/70/68/530277068.db2.gz JOKXIMMPZAFEGV-SECBINFHSA-N 0 3 385.262 0.685 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000561553553 530280555 /nfs/dbraw/zinc/28/05/55/530280555.db2.gz VHHFGMCKUMJENX-NEPJUHHUSA-N 0 3 388.456 0.982 20 0 GCADHN C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)[C@@H](C)CN1 ZINC000272497644 530281285 /nfs/dbraw/zinc/28/12/85/530281285.db2.gz DFOUWNZFBLTSMC-RQJHMYQMSA-N 0 3 382.305 0.980 20 0 GCADHN C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)[C@@H](C)CN1 ZINC000272561916 530281679 /nfs/dbraw/zinc/28/16/79/530281679.db2.gz LTHRBUXGIRTWMQ-IUCAKERBSA-N 0 3 396.332 0.998 20 0 GCADHN COC[C@@]1(C[N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)CCC[NH2+]1 ZINC000647297000 530282404 /nfs/dbraw/zinc/28/24/04/530282404.db2.gz HUVBNXNMNVKKDV-ABAIWWIYSA-N 0 3 375.516 0.992 20 0 GCADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)NC[C@H]2CCCO2)CC1 ZINC000561784548 530283764 /nfs/dbraw/zinc/28/37/64/530283764.db2.gz JSNXIZRATDEZOJ-GOEBONIOSA-N 0 3 375.535 0.664 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N(C)CC1CCN(C)CC1)C(F)(F)F ZINC000561891494 530285276 /nfs/dbraw/zinc/28/52/76/530285276.db2.gz ZUTDIIBKHBZDAP-LBPRGKRZSA-N 0 3 388.456 0.792 20 0 GCADHN Cn1cc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)cc1C(=O)NCC(F)(F)F ZINC000647304618 530285872 /nfs/dbraw/zinc/28/58/72/530285872.db2.gz XQLSZFVOEWGLOM-IUCAKERBSA-N 0 3 386.371 0.296 20 0 GCADHN COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NCCN(C)C ZINC000273158370 530286105 /nfs/dbraw/zinc/28/61/05/530286105.db2.gz SUDBLNBBKYCLMK-UHFFFAOYSA-N 0 3 390.209 0.991 20 0 GCADHN COC(=O)C1(CS(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)CCCC1 ZINC000562001312 530286586 /nfs/dbraw/zinc/28/65/86/530286586.db2.gz JVHKOAJJLXHPSV-HNNXBMFYSA-N 0 3 376.519 0.732 20 0 GCADHN CN(C)CCN1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000273374612 530288025 /nfs/dbraw/zinc/28/80/25/530288025.db2.gz HEJBKMZLXOGBFJ-UHFFFAOYSA-N 0 3 388.559 0.159 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000273604705 530289639 /nfs/dbraw/zinc/28/96/39/530289639.db2.gz KCZKAKSQFLHZKF-GFCCVEGCSA-N 0 3 384.278 0.561 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000429193132 530290396 /nfs/dbraw/zinc/29/03/96/530290396.db2.gz UATHNZAWGHLKQD-UHFFFAOYSA-N 0 3 375.539 0.479 20 0 GCADHN COCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000427949609 530290699 /nfs/dbraw/zinc/29/06/99/530290699.db2.gz JUQHOSRMHBGFMC-YABSGUDNSA-N 0 3 391.287 0.970 20 0 GCADHN CN1CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)[C@H](CN)C1 ZINC000566797922 530290725 /nfs/dbraw/zinc/29/07/25/530290725.db2.gz QTMXZFAZSWIPNA-GFCCVEGCSA-N 0 3 390.303 0.324 20 0 GCADHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3ccc(Br)cc3F)CCN2C1=O ZINC000564740302 530291775 /nfs/dbraw/zinc/29/17/75/530291775.db2.gz NEZDVKOJXYBRCN-PWSUYJOCSA-N 0 3 385.237 0.771 20 0 GCADHN Cc1cc(S(=O)(=O)NCCNC(=O)NC[C@@](C)(O)CN(C)C)c(C)s1 ZINC000269951139 530254809 /nfs/dbraw/zinc/25/48/09/530254809.db2.gz YEQGBAGIKNICEA-OAHLLOKOSA-N 0 3 392.547 0.255 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000269970870 530255115 /nfs/dbraw/zinc/25/51/15/530255115.db2.gz ZPEOZXZPHOMFJE-OAHLLOKOSA-N 0 3 377.894 0.633 20 0 GCADHN CN(C)CCn1cc(NC(=O)CNS(=O)(=O)c2cccs2)ccc1=O ZINC000270096618 530256470 /nfs/dbraw/zinc/25/64/70/530256470.db2.gz KSYRVAULLIOFME-UHFFFAOYSA-N 0 3 384.483 0.388 20 0 GCADHN CNS(=O)(=O)c1cc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)ccc1OC ZINC000270425254 530259666 /nfs/dbraw/zinc/25/96/66/530259666.db2.gz DXQYKBSSMOQNPI-JSGCOSHPSA-N 0 3 387.527 0.721 20 0 GCADHN CN[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000655421182 530259694 /nfs/dbraw/zinc/25/96/94/530259694.db2.gz DAKSNPFYRALLAV-VIFPVBQESA-N 0 3 396.332 0.951 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)C[C@H]1N(C)C ZINC000270418085 530259730 /nfs/dbraw/zinc/25/97/30/530259730.db2.gz CJKDVWKTSFKKKH-QJPTWQEYSA-N 0 3 377.557 0.919 20 0 GCADHN CCS(=O)(=O)N1CCC(C(=O)NC2CCN(CCCOC)CC2)CC1 ZINC000588932855 530263857 /nfs/dbraw/zinc/26/38/57/530263857.db2.gz MRTCGBODOFIEDP-UHFFFAOYSA-N 0 3 375.535 0.665 20 0 GCADHN CS[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)C[C@@H]1N(C)C ZINC000270790304 530264019 /nfs/dbraw/zinc/26/40/19/530264019.db2.gz UXAUDJSSOUCQKH-LSDHHAIUSA-N 0 3 389.518 0.998 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1)S(C)(=O)=O ZINC000270875250 530265158 /nfs/dbraw/zinc/26/51/58/530265158.db2.gz NPBNHOAAVCLUIW-CABZTGNLSA-N 0 3 389.271 0.882 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)S(C)(=O)=O ZINC000270875248 530265261 /nfs/dbraw/zinc/26/52/61/530265261.db2.gz NPBNHOAAVCLUIW-BXKDBHETSA-N 0 3 389.271 0.882 20 0 GCADHN C[C@@H]1CSC[C@@H]1NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000560492418 530266114 /nfs/dbraw/zinc/26/61/14/530266114.db2.gz WTZGLHSEIXCHHN-BARDWOONSA-N 0 3 376.544 0.522 20 0 GCADHN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000270952670 530266306 /nfs/dbraw/zinc/26/63/06/530266306.db2.gz VTPAIXXGKPYBLR-LLVKDONJSA-N 0 3 387.889 0.967 20 0 GCADHN CN1CCN(c2cc[nH+]cc2[N-]C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000560629795 530268033 /nfs/dbraw/zinc/26/80/33/530268033.db2.gz NOXRSDANZUNQHK-UHFFFAOYSA-N 0 3 381.483 0.795 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000271118475 530268254 /nfs/dbraw/zinc/26/82/54/530268254.db2.gz KJSNGJNOFXCUEG-KBPBESRZSA-N 0 3 390.531 0.057 20 0 GCADHN [NH3+]C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 ZINC000562841147 530296052 /nfs/dbraw/zinc/29/60/52/530296052.db2.gz NEYUBUOHDRWJDJ-UONOGXRCSA-N 0 3 387.527 0.877 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000274510462 530297349 /nfs/dbraw/zinc/29/73/49/530297349.db2.gz GZGSXFRGTULPPN-ZDUSSCGKSA-N 0 3 375.516 0.332 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000274528688 530297478 /nfs/dbraw/zinc/29/74/78/530297478.db2.gz ZSXVMVTYWFEIAW-RUZDIDTESA-N 0 3 389.905 0.587 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H](N)C(C)C)CC2)c1 ZINC000428029863 530298128 /nfs/dbraw/zinc/29/81/28/530298128.db2.gz GXICHDWRRIXMOM-CYBMUJFWSA-N 0 3 389.499 0.351 20 0 GCADHN COCCCNC(=O)C(C)S(=O)(=O)c1nnc(NC[C@H]2CCCO2)s1 ZINC000146476809 530298217 /nfs/dbraw/zinc/29/82/17/530298217.db2.gz HQJAAFZPSTWBED-GHMZBOCLSA-N 0 3 392.503 0.444 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000274611587 530298405 /nfs/dbraw/zinc/29/84/05/530298405.db2.gz ZKTGQAKYNOPJDB-UHFFFAOYSA-N 0 3 377.894 0.634 20 0 GCADHN CC[N@H+](CCO)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000274694381 530299049 /nfs/dbraw/zinc/29/90/49/530299049.db2.gz VWHSQAWISIZSGW-UHFFFAOYSA-N 0 3 398.938 0.293 20 0 GCADHN CC[N@@H+](CCO)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000274694381 530299051 /nfs/dbraw/zinc/29/90/51/530299051.db2.gz VWHSQAWISIZSGW-UHFFFAOYSA-N 0 3 398.938 0.293 20 0 GCADHN COCCCN1CCC(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000588980923 530301726 /nfs/dbraw/zinc/30/17/26/530301726.db2.gz HYTLMQOKWMYFAH-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN CN1CCN(CCNC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1(C)C ZINC000635896970 530307970 /nfs/dbraw/zinc/30/79/70/530307970.db2.gz YSMHDJWEAMQVDS-RYUDHWBXSA-N 0 3 385.452 0.352 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCc3c2cccc3Br)[C@@H](CN)C1 ZINC000569795661 530311156 /nfs/dbraw/zinc/31/11/56/530311156.db2.gz ABSDVCXFGXTHMU-XHDPSFHLSA-N 0 3 395.301 0.654 20 0 GCADHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275424438 530311712 /nfs/dbraw/zinc/31/17/12/530311712.db2.gz DHRZCQPURURWMI-ZDUSSCGKSA-N 0 3 377.532 0.946 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](N(C)C)[C@H]1C ZINC000632369868 530312624 /nfs/dbraw/zinc/31/26/24/530312624.db2.gz SCSCGAAVWDPSFN-CHWSQXEVSA-N 0 3 375.516 0.698 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CCC1 ZINC000275523040 530312762 /nfs/dbraw/zinc/31/27/62/530312762.db2.gz VWBCYCVIGXEKPO-UHFFFAOYSA-N 0 3 375.516 0.700 20 0 GCADHN CCS(=O)(=O)NCCNC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000569919998 530313090 /nfs/dbraw/zinc/31/30/90/530313090.db2.gz BHXSTWGCVOITNZ-GFCCVEGCSA-N 0 3 399.282 0.857 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000275766337 530315650 /nfs/dbraw/zinc/31/56/50/530315650.db2.gz LGJHYDXWCCOMQU-CQSZACIVSA-N 0 3 389.543 0.899 20 0 GCADHN CC(C)[C@@H](O)CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000570162420 530315978 /nfs/dbraw/zinc/31/59/78/530315978.db2.gz LQSVTKGJBIGTSR-AWEZNQCLSA-N 0 3 392.543 0.707 20 0 GCADHN CN(CCc1ccc(Br)cc1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000570153837 530316040 /nfs/dbraw/zinc/31/60/40/530316040.db2.gz CUNWFAKJQWRYRJ-HNNXBMFYSA-N 0 3 397.317 0.551 20 0 GCADHN CN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@H]1CCCN(C)C1 ZINC000153405074 530316237 /nfs/dbraw/zinc/31/62/37/530316237.db2.gz SRHWWUUVCQHSQN-JTQLQIEISA-N 0 3 397.277 0.445 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000275846253 530316599 /nfs/dbraw/zinc/31/65/99/530316599.db2.gz WKBWNTWWYNRDAM-CYBMUJFWSA-N 0 3 375.516 0.652 20 0 GCADHN CN(C)[C@H]1CN(C[C@@H](O)COc2cc(F)cc(Br)c2)C[C@@H]1O ZINC000570407607 530319230 /nfs/dbraw/zinc/31/92/30/530319230.db2.gz HBPVDRIXOUASRP-SNPRPXQTSA-N 0 3 377.254 0.935 20 0 GCADHN Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000570464960 530320001 /nfs/dbraw/zinc/32/00/01/530320001.db2.gz XPQHCYLHARKYMY-PWSUYJOCSA-N 0 3 388.287 0.690 20 0 GCADHN COCCNCCNC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000570681887 530323192 /nfs/dbraw/zinc/32/31/92/530323192.db2.gz VCFVXQYFXDVJBR-SNVBAGLBSA-N 0 3 398.257 0.786 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Cc3cccc(I)c3)CCN2C1=O ZINC000570698365 530323355 /nfs/dbraw/zinc/32/33/55/530323355.db2.gz FVZUOMCRJDLISA-QWHCGFSZSA-N 0 3 399.232 0.604 20 0 GCADHN O=C(NCCNC[C@H](O)COc1ccc(Br)cc1)c1ccn[nH]1 ZINC000570711097 530323627 /nfs/dbraw/zinc/32/36/27/530323627.db2.gz FUVQFKGUWMSHDU-LBPRGKRZSA-N 0 3 383.246 0.932 20 0 GCADHN COCCN(C)C[C@@H](O)CN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000570890744 530327553 /nfs/dbraw/zinc/32/75/53/530327553.db2.gz CGIJQDVWICZOPS-OAHLLOKOSA-N 0 3 391.559 0.430 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1F ZINC000574907790 530327722 /nfs/dbraw/zinc/32/77/22/530327722.db2.gz MWPDVUOVXDEOFG-ABAIWWIYSA-N 0 3 391.490 0.960 20 0 GCADHN C[C@H](CNc1ccc(S(N)(=O)=O)cc1S(C)(=O)=O)CN1CCCC1 ZINC000277035384 530328698 /nfs/dbraw/zinc/32/86/98/530328698.db2.gz FJBUQMQHJYUEGK-GFCCVEGCSA-N 0 3 375.516 0.881 20 0 GCADHN C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)N1CCC[C@H](C)C1 ZINC000332690275 530328752 /nfs/dbraw/zinc/32/87/52/530328752.db2.gz RLZJGBUZSQJVLH-GJZGRUSLSA-N 0 3 392.591 0.785 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NCC(C)(C)CN2CCCC2)c1 ZINC000277047864 530328772 /nfs/dbraw/zinc/32/87/72/530328772.db2.gz NCPSZSSIQZGZID-UHFFFAOYSA-N 0 3 389.543 0.995 20 0 GCADHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000281338475 530358323 /nfs/dbraw/zinc/35/83/23/530358323.db2.gz BGDFLRQLSUPMQL-LBPRGKRZSA-N 0 3 375.516 0.836 20 0 GCADHN O=S(=O)(CCNC[C@@H](O)COCc1cccs1)N1CCSCC1 ZINC000644550478 530358720 /nfs/dbraw/zinc/35/87/20/530358720.db2.gz GYGRMBVBASIZBT-CYBMUJFWSA-N 0 3 380.557 0.594 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000282264921 530369203 /nfs/dbraw/zinc/36/92/03/530369203.db2.gz UEAIFEJPFCPRFS-QWHCGFSZSA-N 0 3 375.516 0.555 20 0 GCADHN C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)CN1CCN(C)CC1 ZINC000176012152 530359218 /nfs/dbraw/zinc/35/92/18/530359218.db2.gz PMSNNNCGMUXUDR-LBPRGKRZSA-N 0 3 388.921 0.601 20 0 GCADHN CN(C)CC1(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CCC1 ZINC000281689347 530361642 /nfs/dbraw/zinc/36/16/42/530361642.db2.gz YVSXBBZHTNXBDM-UHFFFAOYSA-N 0 3 375.516 0.369 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(Br)cn2)CC1(C)C ZINC000281788868 530363147 /nfs/dbraw/zinc/36/31/47/530363147.db2.gz BWMWLZIWWPXWHA-UHFFFAOYSA-N 0 3 398.305 0.925 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281849308 530363670 /nfs/dbraw/zinc/36/36/70/530363670.db2.gz UINNSBVQOIMACN-CYBMUJFWSA-N 0 3 388.559 0.557 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(CC[NH3+])CC2)cc1F ZINC000516656692 530364101 /nfs/dbraw/zinc/36/41/01/530364101.db2.gz JZVAWNFJAKLZDI-UHFFFAOYSA-N 0 3 379.479 0.947 20 0 GCADHN COCCN1CCC(NC(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1 ZINC000590311443 530365554 /nfs/dbraw/zinc/36/55/54/530365554.db2.gz ZVEHWMRXTYJDMN-UHFFFAOYSA-N 0 3 375.535 0.712 20 0 GCADHN Cc1c(Br)cc(C(=O)NCCCN2CCN(C)CC2)c(=O)n1C ZINC000277454141 530332070 /nfs/dbraw/zinc/33/20/70/530332070.db2.gz OIVCPKNMEMHSCY-UHFFFAOYSA-N 0 3 385.306 0.824 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1ccc(I)cn1)C1CC1 ZINC000277984565 530336492 /nfs/dbraw/zinc/33/64/92/530336492.db2.gz CJNUTLGJPLQCHG-UHFFFAOYSA-N 0 3 388.209 0.835 20 0 GCADHN CN(C)Cc1cccc(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)c1 ZINC000278236182 530338851 /nfs/dbraw/zinc/33/88/51/530338851.db2.gz NHFYVDRRVKOBJA-UHFFFAOYSA-N 0 3 377.532 0.449 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)CN1CCN(C)CC1 ZINC000278626793 530342549 /nfs/dbraw/zinc/34/25/49/530342549.db2.gz SYQUNBRJRGSKBD-LBPRGKRZSA-N 0 3 398.305 0.782 20 0 GCADHN CCc1[nH]nc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c1Br ZINC000279585754 530347804 /nfs/dbraw/zinc/34/78/04/530347804.db2.gz XBKGJWUUIFTCJX-JTQLQIEISA-N 0 3 375.267 0.500 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)S(C)(=O)=O ZINC000280091842 530350345 /nfs/dbraw/zinc/35/03/45/530350345.db2.gz ORMCHWVWUJAQAD-CABZTGNLSA-N 0 3 389.271 0.882 20 0 GCADHN Cn1cc(CNCCNC(=O)c2cccc(Br)c2)c(=O)n(C)c1=O ZINC000172122940 530350862 /nfs/dbraw/zinc/35/08/62/530350862.db2.gz BVVIRQWCRFZECW-UHFFFAOYSA-N 0 3 395.257 0.366 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172419369 530351084 /nfs/dbraw/zinc/35/10/84/530351084.db2.gz PXHJLSAPUSGSBA-UHFFFAOYSA-N 0 3 399.289 0.776 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172419369 530351085 /nfs/dbraw/zinc/35/10/85/530351085.db2.gz PXHJLSAPUSGSBA-UHFFFAOYSA-N 0 3 399.289 0.776 20 0 GCADHN O=C(CN1CCNCC1)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000637965181 530351728 /nfs/dbraw/zinc/35/17/28/530351728.db2.gz QRLKMMLODLRESE-UHFFFAOYSA-N 0 3 379.262 0.933 20 0 GCADHN CC(C)[C@H](CCO)NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000460361666 530352661 /nfs/dbraw/zinc/35/26/61/530352661.db2.gz HQAUZCFIUYXIEC-XHSDSOJGSA-N 0 3 376.519 0.178 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)c2ccc(Br)cc2-n2cnnn2)C1 ZINC000623023804 530353457 /nfs/dbraw/zinc/35/34/57/530353457.db2.gz VUVWXVHRXHEZRB-CQSZACIVSA-N 0 3 381.234 0.221 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000280752138 530354356 /nfs/dbraw/zinc/35/43/56/530354356.db2.gz CTVGWICCTTXSGB-KBPBESRZSA-N 0 3 399.289 0.995 20 0 GCADHN CN1CCN(CCNS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1(C)C ZINC000282480987 530372413 /nfs/dbraw/zinc/37/24/13/530372413.db2.gz JAPLDWDFJKBPFN-UHFFFAOYSA-N 0 3 388.921 0.743 20 0 GCADHN C[C@H](CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[NH+]1CCCCC1 ZINC000183165887 530374098 /nfs/dbraw/zinc/37/40/98/530374098.db2.gz UZVXCSQKCFTTQN-LLVKDONJSA-N 0 3 387.278 0.680 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000184511143 530375627 /nfs/dbraw/zinc/37/56/27/530375627.db2.gz YZFSBYRFWNCHKD-LBPRGKRZSA-N 0 3 388.921 0.743 20 0 GCADHN COc1cc(NC(=O)CN2C(C)C(=O)N(C)S2(=O)=O)c(OC)cc1Cl ZINC000282916228 530375736 /nfs/dbraw/zinc/37/57/36/530375736.db2.gz FZPOXDKUSVSEAA-MRVPVSSYSA-N 0 3 391.833 0.703 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000184410757 530375804 /nfs/dbraw/zinc/37/58/04/530375804.db2.gz KYCNAQQXMPIJNL-ZDUSSCGKSA-N 0 3 388.559 0.754 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000185315523 530376842 /nfs/dbraw/zinc/37/68/42/530376842.db2.gz YKYZFOXHYGJGEF-LBPRGKRZSA-N 0 3 388.921 0.743 20 0 GCADHN CN1CCC[C@@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000601324601 530377647 /nfs/dbraw/zinc/37/76/47/530377647.db2.gz WWVUERZHRPBPBO-GJZGRUSLSA-N 0 3 376.523 0.116 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)CCCN(C)C)C1 ZINC000601334001 530378312 /nfs/dbraw/zinc/37/83/12/530378312.db2.gz XSQPVLAHIJENBR-CQSZACIVSA-N 0 3 377.507 0.001 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cscc3Br)CCN2C1=O ZINC000601343102 530379047 /nfs/dbraw/zinc/37/90/47/530379047.db2.gz KVEBBNQKGVIFBO-APPZFPTMSA-N 0 3 380.289 0.443 20 0 GCADHN COc1cccc(CS(=O)(=O)C(C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000283381204 530379237 /nfs/dbraw/zinc/37/92/37/530379237.db2.gz MUDHWGWCINGNGT-GXTWGEPZSA-N 0 3 389.495 0.644 20 0 GCADHN CCCNc1nnc(S(=O)(=O)C(C)C(=O)N2CCC[C@@H](C(N)=O)C2)s1 ZINC000283368774 530379326 /nfs/dbraw/zinc/37/93/26/530379326.db2.gz LYEPTMVIOKGAET-NXEZZACHSA-N 0 3 389.503 0.246 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000283434571 530379764 /nfs/dbraw/zinc/37/97/64/530379764.db2.gz QCRHCUSOVLIDKY-QWRGUYRKSA-N 0 3 380.513 0.649 20 0 GCADHN CN(C)[C@@H]1CCCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000601354115 530380469 /nfs/dbraw/zinc/38/04/69/530380469.db2.gz MJGKUMYBECXGKO-HUUCEWRRSA-N 0 3 376.523 0.211 20 0 GCADHN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000364072187 530381009 /nfs/dbraw/zinc/38/10/09/530381009.db2.gz ZEKLBZKLAAWXNV-VXGBXAGGSA-N 0 3 387.889 0.841 20 0 GCADHN Cc1csc(NC(=O)CS(=O)(=O)C(C)C(=O)NC[C@H]2CCCO2)n1 ZINC000283730084 530381394 /nfs/dbraw/zinc/38/13/94/530381394.db2.gz CFFLTDPCESTKPH-WDEREUQCSA-N 0 3 375.472 0.489 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](C)C[NH2+]C)c(OC)c1 ZINC000497359905 530382505 /nfs/dbraw/zinc/38/25/05/530382505.db2.gz BQIVTIOYVYXVOQ-LLVKDONJSA-N 0 3 379.504 0.591 20 0 GCADHN COCCN(C)CCCNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000284070113 530383348 /nfs/dbraw/zinc/38/33/48/530383348.db2.gz NAOFRGPBHRJPNC-CYBMUJFWSA-N 0 3 386.543 0.844 20 0 GCADHN CCN1CCN(CCCCNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC000500775982 530384358 /nfs/dbraw/zinc/38/43/58/530384358.db2.gz AJEKVOJMZPGVPY-HOTGVXAUSA-N 0 3 376.567 0.867 20 0 GCADHN CCCN(CCC[NH+](C)C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000189266880 530384809 /nfs/dbraw/zinc/38/48/09/530384809.db2.gz AFCHEFPBNHQZCP-UHFFFAOYSA-N 0 3 375.267 0.489 20 0 GCADHN CS[C@H]1CN(S(=O)(=O)CCCN2CCN(C)CC2)C[C@H]1N1CCCC1 ZINC000601397863 530385629 /nfs/dbraw/zinc/38/56/29/530385629.db2.gz VNRSIMBLSPRCRM-SJORKVTESA-N 0 3 390.619 0.465 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c(F)cc1Br ZINC000497857076 530393081 /nfs/dbraw/zinc/39/30/81/530393081.db2.gz MDBXDGPMCWECEH-SECBINFHSA-N 0 3 376.226 0.874 20 0 GCADHN CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000590360511 530369831 /nfs/dbraw/zinc/36/98/31/530369831.db2.gz GBFWDEUIKWYEHM-NSHDSACASA-N 0 3 388.262 0.825 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106791581 530370048 /nfs/dbraw/zinc/37/00/48/530370048.db2.gz UQPKMDBSSKQFMT-SNVBAGLBSA-N 0 3 385.262 0.432 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106791581 530370049 /nfs/dbraw/zinc/37/00/49/530370049.db2.gz UQPKMDBSSKQFMT-SNVBAGLBSA-N 0 3 385.262 0.432 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000285888379 530397963 /nfs/dbraw/zinc/39/79/63/530397963.db2.gz RTFAKAMLFIJBKF-UHFFFAOYSA-N 0 3 375.491 0.516 20 0 GCADHN CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286257275 530400053 /nfs/dbraw/zinc/40/00/53/530400053.db2.gz PNMBVSLTYCOKLR-ZACCUICWSA-N 0 3 385.262 0.795 20 0 GCADHN CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286257275 530400055 /nfs/dbraw/zinc/40/00/55/530400055.db2.gz PNMBVSLTYCOKLR-ZACCUICWSA-N 0 3 385.262 0.795 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](CN2CCCCC2)C1 ZINC000364762066 530401591 /nfs/dbraw/zinc/40/15/91/530401591.db2.gz XPPSJSOKAMDHJN-OAHLLOKOSA-N 0 3 381.564 0.406 20 0 GCADHN Cc1nc2sccn2c(=O)c1CCN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000286535139 530401861 /nfs/dbraw/zinc/40/18/61/530401861.db2.gz TZRBBBSBESAEHD-CYBMUJFWSA-N 0 3 384.527 0.868 20 0 GCADHN Cc1nc2sccn2c(=O)c1CCN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000286561408 530402241 /nfs/dbraw/zinc/40/22/41/530402241.db2.gz VKXZXMMWEGNLLN-GFCCVEGCSA-N 0 3 385.515 0.112 20 0 GCADHN C[C@H](CNC(=O)NCCn1cc(Br)cn1)CN1CCN(C)CC1 ZINC000286664113 530402820 /nfs/dbraw/zinc/40/28/20/530402820.db2.gz LQSUYHMEXQQGIQ-CYBMUJFWSA-N 0 3 387.326 0.828 20 0 GCADHN Cn1cc(I)c(CNC(=O)N2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC000590836373 530403993 /nfs/dbraw/zinc/40/39/93/530403993.db2.gz CWCFHXBGRUQFJD-SKDRFNHKSA-N 0 3 389.241 0.870 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000286809933 530404112 /nfs/dbraw/zinc/40/41/12/530404112.db2.gz UJDLKRHEQOEJAO-KGLIPLIRSA-N 0 3 387.527 0.842 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000364931749 530404395 /nfs/dbraw/zinc/40/43/95/530404395.db2.gz SUFKWAHVIHTAQM-GOEBONIOSA-N 0 3 393.575 0.546 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000364931744 530404642 /nfs/dbraw/zinc/40/46/42/530404642.db2.gz SUFKWAHVIHTAQM-GDBMZVCRSA-N 0 3 393.575 0.546 20 0 GCADHN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000287063488 530406012 /nfs/dbraw/zinc/40/60/12/530406012.db2.gz JUIPDYUETBWDKN-JQWIXIFHSA-N 0 3 385.262 0.797 20 0 GCADHN C[N-]S(=O)(=O)c1cc(NC(=O)NCCC[N@H+](C)CCOC)ccc1F ZINC000287262034 530407294 /nfs/dbraw/zinc/40/72/94/530407294.db2.gz QELBHMWVVCRUMN-UHFFFAOYSA-N 0 3 376.454 0.824 20 0 GCADHN C[N-]S(=O)(=O)c1cc(NC(=O)NCCC[N@@H+](C)CCOC)ccc1F ZINC000287262034 530407295 /nfs/dbraw/zinc/40/72/95/530407295.db2.gz QELBHMWVVCRUMN-UHFFFAOYSA-N 0 3 376.454 0.824 20 0 GCADHN Cc1nc2sccn2c(=O)c1CCN1CCC(CNS(C)(=O)=O)CC1 ZINC000285523327 530395219 /nfs/dbraw/zinc/39/52/19/530395219.db2.gz RUGFKPIDSQWPJW-UHFFFAOYSA-N 0 3 384.527 0.868 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000497918995 530395274 /nfs/dbraw/zinc/39/52/74/530395274.db2.gz XTDRAGYNKKIGJN-SECBINFHSA-N 0 3 396.245 0.370 20 0 GCADHN COC(=O)c1cn(CCNC[C@@H](O)COc2cccc(Br)c2)nn1 ZINC000591766423 530410801 /nfs/dbraw/zinc/41/08/01/530410801.db2.gz APPFKRQPELLFIW-GFCCVEGCSA-N 0 3 399.245 0.857 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000288079880 530414177 /nfs/dbraw/zinc/41/41/77/530414177.db2.gz JXBPBTCHLDWHCA-UHFFFAOYSA-N 0 3 376.504 0.615 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301730138 530415617 /nfs/dbraw/zinc/41/56/17/530415617.db2.gz XBBVZLNJVLGORV-LLVKDONJSA-N 0 3 384.278 0.286 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN2CCCC[C@H]2CCNS(C)(=O)=O)C[C@@H](C)O1 ZINC000592390195 530416244 /nfs/dbraw/zinc/41/62/44/530416244.db2.gz WVHXTGXDALNVLQ-NCOADZHNSA-N 0 3 377.551 0.250 20 0 GCADHN CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CC[NH2+]C1 ZINC000592464582 530417038 /nfs/dbraw/zinc/41/70/38/530417038.db2.gz NRAHKVZIIIJAIK-AAEUAGOBSA-N 0 3 375.491 0.704 20 0 GCADHN CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000592464583 530417282 /nfs/dbraw/zinc/41/72/82/530417282.db2.gz NRAHKVZIIIJAIK-DGCLKSJQSA-N 0 3 375.491 0.704 20 0 GCADHN CN(C)CCN(C)CCCN(C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000288667121 530419695 /nfs/dbraw/zinc/41/96/95/530419695.db2.gz SFRVSBVVWOHSFO-UHFFFAOYSA-N 0 3 391.559 0.594 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000605846081 530420955 /nfs/dbraw/zinc/42/09/55/530420955.db2.gz GVXXALXEKOPULY-HNNXBMFYSA-N 0 3 376.523 0.211 20 0 GCADHN COCCN1CC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000593915558 530426152 /nfs/dbraw/zinc/42/61/52/530426152.db2.gz UYRZENBWYBZLBD-CQSZACIVSA-N 0 3 389.905 0.845 20 0 GCADHN CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000290240000 530431364 /nfs/dbraw/zinc/43/13/64/530431364.db2.gz RVLKXNFPBGVUKG-JTQLQIEISA-N 0 3 375.267 0.948 20 0 GCADHN CCCC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000290240000 530431366 /nfs/dbraw/zinc/43/13/66/530431366.db2.gz RVLKXNFPBGVUKG-JTQLQIEISA-N 0 3 375.267 0.948 20 0 GCADHN CN(C)CCN(C)C(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC000290463898 530433207 /nfs/dbraw/zinc/43/32/07/530433207.db2.gz YLTZKGFSCRVBIR-UHFFFAOYSA-N 0 3 378.292 0.747 20 0 GCADHN CN(C)CCN(C)C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000290476388 530433486 /nfs/dbraw/zinc/43/34/86/530433486.db2.gz ZMEOOARFFRSKNB-UHFFFAOYSA-N 0 3 383.392 0.884 20 0 GCADHN CO[C@H](CN)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000289958862 530429062 /nfs/dbraw/zinc/42/90/62/530429062.db2.gz MRQSQIDFMAKRBR-CYBMUJFWSA-N 0 3 375.516 0.555 20 0 GCADHN CO[C@@H](CN)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000290097327 530430266 /nfs/dbraw/zinc/43/02/66/530430266.db2.gz XHFZUOSAZWUDNF-JQWIXIFHSA-N 0 3 385.262 0.995 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)NCCOc1cccc(C)c1 ZINC000290940789 530437534 /nfs/dbraw/zinc/43/75/34/530437534.db2.gz KRHZNJSGSSKFLH-AWEZNQCLSA-N 0 3 391.511 0.728 20 0 GCADHN COCCN1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000290911757 530437763 /nfs/dbraw/zinc/43/77/63/530437763.db2.gz WSVNSCSDKQLREH-ZDUSSCGKSA-N 0 3 375.878 0.455 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccc2c(c1)CNCCO2 ZINC000291090238 530438405 /nfs/dbraw/zinc/43/84/05/530438405.db2.gz PZJHCYCLNPTTBV-UHFFFAOYSA-N 0 3 395.213 0.832 20 0 GCADHN CCN(C)CCNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000291217189 530439315 /nfs/dbraw/zinc/43/93/15/530439315.db2.gz HSDHPCMDCRAZHG-UHFFFAOYSA-N 0 3 383.392 0.931 20 0 GCADHN Cn1nc2cc(Br)ccc2c1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594878289 530442620 /nfs/dbraw/zinc/44/26/20/530442620.db2.gz XXIHUOUTSULEMC-JQWIXIFHSA-N 0 3 392.257 0.720 20 0 GCADHN Cc1cc(Br)c(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000594875822 530442659 /nfs/dbraw/zinc/44/26/59/530442659.db2.gz SQFOJFMVXHIVCY-SCZZXKLOSA-N 0 3 394.316 0.752 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3sc4c(c3Br)CNC4)CCN2C1=O ZINC000594880154 530442714 /nfs/dbraw/zinc/44/27/14/530442714.db2.gz TZGIYMVNEBPNCW-VXNVDRBHSA-N 0 3 385.287 0.498 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000594875779 530442720 /nfs/dbraw/zinc/44/27/20/530442720.db2.gz PHIAJHHPAXQQDA-YPMHNXCESA-N 0 3 387.845 0.059 20 0 GCADHN Cc1ccc(Br)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594874563 530443128 /nfs/dbraw/zinc/44/31/28/530443128.db2.gz BIXDJMZTQHLAAD-RYUDHWBXSA-N 0 3 388.287 0.690 20 0 GCADHN C[C@H](NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000594874638 530443265 /nfs/dbraw/zinc/44/32/65/530443265.db2.gz LIWJEHQZBSTTIH-GLQYFDAESA-N 0 3 395.301 0.870 20 0 GCADHN CN1CC[C@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3OCC(N)=O)C2)C1 ZINC000291840003 530443380 /nfs/dbraw/zinc/44/33/80/530443380.db2.gz GVJGUOAICDIOPD-INIZCTEOSA-N 0 3 387.889 0.920 20 0 GCADHN Cc1cnc(Br)c(NC(=O)C(=O)NCC2(O)CCN(C)CC2)c1 ZINC000291462180 530441048 /nfs/dbraw/zinc/44/10/48/530441048.db2.gz JYXIVSACLRKLEY-UHFFFAOYSA-N 0 3 385.262 0.664 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292101649 530444894 /nfs/dbraw/zinc/44/48/94/530444894.db2.gz UMKVCCLOSJUCCT-INIZCTEOSA-N 0 3 387.527 0.653 20 0 GCADHN COc1cc(Br)ccc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595274184 530445168 /nfs/dbraw/zinc/44/51/68/530445168.db2.gz SEKASXNPHKRUTG-QWHCGFSZSA-N 0 3 397.273 0.911 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(Cl)c(F)c(Cl)c3)CCN2C1=O ZINC000595240697 530445240 /nfs/dbraw/zinc/44/52/40/530445240.db2.gz WWQMLIMHIRUZEM-KCJUWKMLSA-N 0 3 389.214 0.841 20 0 GCADHN COC[C@H](C)OC[C@@H](O)CN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292896447 530450464 /nfs/dbraw/zinc/45/04/64/530450464.db2.gz ZGHNYTBPYGFJHC-KBPBESRZSA-N 0 3 376.475 0.057 20 0 GCADHN CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595980002 530452056 /nfs/dbraw/zinc/45/20/56/530452056.db2.gz CDYKILBLOYEHKN-JQWIXIFHSA-N 0 3 384.889 0.520 20 0 GCADHN CCCS(=O)(=O)NC1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000531371637 530453064 /nfs/dbraw/zinc/45/30/64/530453064.db2.gz HKGQCLJPDYQNON-INIZCTEOSA-N 0 3 392.591 0.927 20 0 GCADHN CCOC(=O)C[C@@H](NC(=O)C(C)S(=O)(=O)C1CCOCC1)C(F)(F)F ZINC000598048052 530461971 /nfs/dbraw/zinc/46/19/71/530461971.db2.gz SEYXMQZBPVQUGT-MWLCHTKSSA-N 0 3 389.392 0.969 20 0 GCADHN CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)Cc1cccc(Br)c1 ZINC000295376655 530462952 /nfs/dbraw/zinc/46/29/52/530462952.db2.gz PTKSHPOPFKWBQQ-SECBINFHSA-N 0 3 375.244 0.968 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Cc1cccc(Br)c1 ZINC000295376655 530462954 /nfs/dbraw/zinc/46/29/54/530462954.db2.gz PTKSHPOPFKWBQQ-SECBINFHSA-N 0 3 375.244 0.968 20 0 GCADHN CCOC(=O)c1cc(C)sc1NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000295497023 530463980 /nfs/dbraw/zinc/46/39/80/530463980.db2.gz ZTIHKNYPYRWDOU-VIFPVBQESA-N 0 3 389.455 0.579 20 0 GCADHN C[NH2+]CCOCCN(C)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000638587672 530464626 /nfs/dbraw/zinc/46/46/26/530464626.db2.gz HBEVILBCXOUWAX-UHFFFAOYSA-N 0 3 379.429 0.328 20 0 GCADHN C[C@H](CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N(C)C ZINC000298301105 530479526 /nfs/dbraw/zinc/47/95/26/530479526.db2.gz BAHNDUAUFWGINB-GFCCVEGCSA-N 0 3 375.516 0.378 20 0 GCADHN CCOc1ccccc1CS(=O)(=O)C(C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000298339997 530480010 /nfs/dbraw/zinc/48/00/10/530480010.db2.gz HJSRBHAJULLNQS-OCCSQVGLSA-N 0 3 389.495 0.692 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1 ZINC000298517557 530481368 /nfs/dbraw/zinc/48/13/68/530481368.db2.gz TXDXAOOPLLLFGW-ZDUSSCGKSA-N 0 3 387.527 0.700 20 0 GCADHN COCCN(C)CCCNC(=O)c1nn(C)cc1I ZINC000602791211 530485370 /nfs/dbraw/zinc/48/53/70/530485370.db2.gz NPUBSCHDEBSZLV-UHFFFAOYSA-N 0 3 380.230 0.723 20 0 GCADHN COCCN1CCC(NC(=O)c2nn(C)cc2I)CC1 ZINC000602810338 530485279 /nfs/dbraw/zinc/48/52/79/530485279.db2.gz SGBYFAXUHQJXGE-UHFFFAOYSA-N 0 3 392.241 0.865 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3cc(Br)c4nccn4c3)CCN2C1=O ZINC000602524482 530483932 /nfs/dbraw/zinc/48/39/32/530483932.db2.gz KHPYGNJQMRCYAN-PWSUYJOCSA-N 0 3 378.230 0.481 20 0 GCADHN NC1(C(=O)N2CCN(c3ncc(I)cn3)CC2)CCC1 ZINC000602585322 530484495 /nfs/dbraw/zinc/48/44/95/530484495.db2.gz FFYIIZZVNUZTMT-UHFFFAOYSA-N 0 3 387.225 0.611 20 0 GCADHN COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000602692579 530484758 /nfs/dbraw/zinc/48/47/58/530484758.db2.gz BFHCWGQQYMNZAW-GFCCVEGCSA-N 0 3 375.878 0.524 20 0 GCADHN CCOC[C@H]1CN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)CCO1 ZINC000599450098 530473126 /nfs/dbraw/zinc/47/31/26/530473126.db2.gz MMOLSPBYICDGAW-GHMZBOCLSA-N 0 3 377.381 0.938 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1N1CCCC1 ZINC000599761927 530474877 /nfs/dbraw/zinc/47/48/77/530474877.db2.gz LKTTYFNCJXSNDY-RRFJBIMHSA-N 0 3 375.560 0.696 20 0 GCADHN CN(C)CCN1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000298087042 530477352 /nfs/dbraw/zinc/47/73/52/530477352.db2.gz ROMYQYKHJFUOTI-UHFFFAOYSA-N 0 3 397.317 0.885 20 0 GCADHN O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415185814 530497467 /nfs/dbraw/zinc/49/74/67/530497467.db2.gz JSJGCMJLSKKEKE-GDNZZTSVSA-N 0 3 378.376 0.867 20 0 GCADHN COCCN(CCN(C)C)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000604658194 530497517 /nfs/dbraw/zinc/49/75/17/530497517.db2.gz RWJQXYZBZZMCOI-UHFFFAOYSA-N 0 3 376.454 0.193 20 0 GCADHN CC1CCN(C[C@H](O)CNC(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000604789692 530498693 /nfs/dbraw/zinc/49/86/93/530498693.db2.gz AUFJAQXEUATZQX-MRXNPFEDSA-N 0 3 375.535 0.401 20 0 GCADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCCN(C)CCOC)c1 ZINC000299251013 530488890 /nfs/dbraw/zinc/48/88/90/530488890.db2.gz DOZFLTPKTKKXHI-UHFFFAOYSA-N 0 3 375.466 0.822 20 0 GCADHN Cc1cc(CS(=O)(=O)C(C)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000299243972 530488910 /nfs/dbraw/zinc/48/89/10/530488910.db2.gz LRPMJXMLVYAIOB-YPMHNXCESA-N 0 3 379.525 0.972 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)c1 ZINC000299456561 530490600 /nfs/dbraw/zinc/49/06/00/530490600.db2.gz VQJBDEOCHSTJIL-UHFFFAOYSA-N 0 3 387.527 0.747 20 0 GCADHN CC(C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000299654107 530492812 /nfs/dbraw/zinc/49/28/12/530492812.db2.gz WMCYNTPXNBNTMW-LBPRGKRZSA-N 0 3 387.889 0.538 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CCSC1 ZINC000636886119 530492945 /nfs/dbraw/zinc/49/29/45/530492945.db2.gz GJYBHPSVPUWAOZ-UMVBOHGHSA-N 0 3 378.564 0.583 20 0 GCADHN CC(C(=O)N(CCO)CCOCC(F)(F)F)S(=O)(=O)C1CCOCC1 ZINC000534517225 530494250 /nfs/dbraw/zinc/49/42/50/530494250.db2.gz BFYHIPCWWKIICI-LLVKDONJSA-N 0 3 391.408 0.369 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(N2CCCCC2)CC1 ZINC000408265136 530494850 /nfs/dbraw/zinc/49/48/50/530494850.db2.gz OQHXGNJZXZSBLJ-UHFFFAOYSA-N 0 3 381.564 0.548 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000366709491 530495106 /nfs/dbraw/zinc/49/51/06/530495106.db2.gz KEBQYHIFPZICRH-OAHLLOKOSA-N 0 3 376.523 0.209 20 0 GCADHN CCN(C)C(=O)[C@@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000531950968 530495452 /nfs/dbraw/zinc/49/54/52/530495452.db2.gz PGARGFBBOCXZRQ-YPMHNXCESA-N 0 3 378.516 0.349 20 0 GCADHN COc1cc(I)ccc1NC(=O)C(=O)N[C@H](C)CN ZINC000415606999 530503438 /nfs/dbraw/zinc/50/34/38/530503438.db2.gz ZMKHTTXTCCOCRM-SSDOTTSWSA-N 0 3 377.182 0.702 20 0 GCADHN CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415858359 530504974 /nfs/dbraw/zinc/50/49/74/530504974.db2.gz DVJQLHJGAIPTPV-NSHDSACASA-N 0 3 386.246 0.891 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000415862750 530505138 /nfs/dbraw/zinc/50/51/38/530505138.db2.gz KTASCNBORZHGGG-ZETCQYMHSA-N 0 3 378.173 0.770 20 0 GCADHN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415864500 530505350 /nfs/dbraw/zinc/50/53/50/530505350.db2.gz MJLLPEOGXOBAIV-SECBINFHSA-N 0 3 383.861 0.845 20 0 GCADHN Cn1cc(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1C(=O)NCC(F)(F)F ZINC000416493192 530510896 /nfs/dbraw/zinc/51/08/96/530510896.db2.gz CWQCNJDCJNJCGZ-SNVBAGLBSA-N 0 3 382.408 0.547 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC(C)(C)CN(C)C)s1 ZINC000416506866 530511485 /nfs/dbraw/zinc/51/14/85/530511485.db2.gz HXKJFBQRTHWTAC-UHFFFAOYSA-N 0 3 397.588 0.848 20 0 GCADHN CS(=O)(=O)N1CC[C@H](CNCc2cnn3cc(Br)cnc23)C1 ZINC000638800609 530501550 /nfs/dbraw/zinc/50/15/50/530501550.db2.gz OTKPNDJDQJRDOY-SNVBAGLBSA-N 0 3 388.291 0.863 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)Cc3ccc(Br)cc3)CCN2C1=O ZINC000518797545 530502850 /nfs/dbraw/zinc/50/28/50/530502850.db2.gz XKMOROKQEVPCSQ-OLZOCXBDSA-N 0 3 388.287 0.523 20 0 GCADHN COCCNCCNC(=O)C(=O)Nc1ccccc1I ZINC000415543137 530503084 /nfs/dbraw/zinc/50/30/84/530503084.db2.gz WOLOQCZQXLBPQW-UHFFFAOYSA-N 0 3 391.209 0.582 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)cc1 ZINC000416569933 530513210 /nfs/dbraw/zinc/51/32/10/530513210.db2.gz ZFNUCMBLAAOSMV-AWEZNQCLSA-N 0 3 389.543 0.947 20 0 GCADHN NC[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCCO1 ZINC000417220765 530515943 /nfs/dbraw/zinc/51/59/43/530515943.db2.gz MLPLEKORZUYERA-ZDUSSCGKSA-N 0 3 375.878 0.873 20 0 GCADHN COCCN(C)CCCNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000366103272 530516401 /nfs/dbraw/zinc/51/64/01/530516401.db2.gz JTINNGVNZNCNHF-OAHLLOKOSA-N 0 3 376.523 0.164 20 0 GCADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000366194032 530517396 /nfs/dbraw/zinc/51/73/96/530517396.db2.gz XTYNCZXHYNBDDP-JSGCOSHPSA-N 0 3 387.527 0.784 20 0 GCADHN Cc1c(C(=O)N2CCCNCC2)cc(Br)cc1S(N)(=O)=O ZINC000237743209 530519949 /nfs/dbraw/zinc/51/99/49/530519949.db2.gz ARRXQBOUMQXMTL-UHFFFAOYSA-N 0 3 376.276 0.840 20 0 GCADHN CCS(=O)(=O)N(C)C1CCN(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000440320897 530520222 /nfs/dbraw/zinc/52/02/22/530520222.db2.gz OCSHUUOLJICLSN-HLLBOEOZSA-N 0 3 377.551 0.202 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CN1C1CC1 ZINC000563305849 530520444 /nfs/dbraw/zinc/52/04/44/530520444.db2.gz PUUJKFNRMWFOTN-FOGDFJRCSA-N 0 3 386.440 0.733 20 0 GCADHN COC(=O)C[C@@H]1CSCCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000330534668 530521498 /nfs/dbraw/zinc/52/14/98/530521498.db2.gz IZWVOTGCDBXBTE-NWDGAFQWSA-N 0 3 379.500 0.476 20 0 GCADHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000531597552 530521636 /nfs/dbraw/zinc/52/16/36/530521636.db2.gz IPHDWBCJNQFLTJ-HZSPNIEDSA-N 0 3 389.543 0.979 20 0 GCADHN CC(C(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)C1CCOCC1 ZINC000531707463 530521723 /nfs/dbraw/zinc/52/17/23/530521723.db2.gz FVRZKTWRPIFDHX-BPLDGKMQSA-N 0 3 395.543 0.783 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)S(C)(=O)=O ZINC000330572549 530521844 /nfs/dbraw/zinc/52/18/44/530521844.db2.gz GHBCTWFEXWHEKC-CABZTGNLSA-N 0 3 389.271 0.882 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CCN1C ZINC000444655893 530546731 /nfs/dbraw/zinc/54/67/31/530546731.db2.gz BRWDCBLDFHSEFX-KOLCDFICSA-N 0 3 385.262 0.685 20 0 GCADHN CCO[C@@H]1C[C@@](CO)(NCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000444800466 530547969 /nfs/dbraw/zinc/54/79/69/530547969.db2.gz KNIQXEDZWMRQNY-VBQJREDUSA-N 0 3 376.519 0.178 20 0 GCADHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000567850562 530549270 /nfs/dbraw/zinc/54/92/70/530549270.db2.gz IEDNFZHEVKUIAX-SECBINFHSA-N 0 3 399.332 0.986 20 0 GCADHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000567850563 530549534 /nfs/dbraw/zinc/54/95/34/530549534.db2.gz IEDNFZHEVKUIAX-VIFPVBQESA-N 0 3 399.332 0.986 20 0 GCADHN O=S(=O)(CCNC1CCN(CC(F)(F)F)CC1)N1CCSCC1 ZINC000155747670 530549887 /nfs/dbraw/zinc/54/98/87/530549887.db2.gz VQCBHGXGDVHNPR-UHFFFAOYSA-N 0 3 375.482 0.981 20 0 GCADHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000534339048 530523668 /nfs/dbraw/zinc/52/36/68/530523668.db2.gz KZDYZABACJFYHK-QLFBSQMISA-N 0 3 375.535 0.856 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)s1 ZINC000330696266 530523812 /nfs/dbraw/zinc/52/38/12/530523812.db2.gz ZVKVYSDFGAXJPL-UHFFFAOYSA-N 0 3 389.547 0.748 20 0 GCADHN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000330716524 530524204 /nfs/dbraw/zinc/52/42/04/530524204.db2.gz CAYSZVJJDUAHFH-OAHLLOKOSA-N 0 3 375.535 0.617 20 0 GCADHN CC[C@@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N(CC)CC ZINC000330771144 530524612 /nfs/dbraw/zinc/52/46/12/530524612.db2.gz VBFJOHIEXDXFBU-CVEARBPZSA-N 0 3 375.535 0.760 20 0 GCADHN COC(=O)[C@H](C)CS(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000330813247 530525441 /nfs/dbraw/zinc/52/54/41/530525441.db2.gz BEJLGXCWRAFUNV-OAHLLOKOSA-N 0 3 375.535 0.475 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000563439404 530526128 /nfs/dbraw/zinc/52/61/28/530526128.db2.gz GDPNBILQFWNTRH-BXKDBHETSA-N 0 3 379.360 0.518 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Br ZINC000563450664 530526359 /nfs/dbraw/zinc/52/63/59/530526359.db2.gz WZGINJWMEZWLNF-WCQYABFASA-N 0 3 395.257 0.466 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3csc(-c4ccccc4)n3)CCN2C1=O ZINC000563443916 530526471 /nfs/dbraw/zinc/52/64/71/530526471.db2.gz ZAYDRLGRVCRIOS-STQMWFEESA-N 0 3 378.479 0.743 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc(F)c1Br ZINC000411131987 530527086 /nfs/dbraw/zinc/52/70/86/530527086.db2.gz KGLQUHOBDAEUPW-SNVBAGLBSA-N 0 3 376.226 0.874 20 0 GCADHN O=C(NCCNC(=O)[C@@H]1CN2CCN1CCC2)c1ccc(Br)cn1 ZINC000617358943 530528414 /nfs/dbraw/zinc/52/84/14/530528414.db2.gz KOZFCGCSECIMGH-AWEZNQCLSA-N 0 3 396.289 0.080 20 0 GCADHN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000571202436 530528662 /nfs/dbraw/zinc/52/86/62/530528662.db2.gz FZBJVHFKNOGHQQ-XHQUFGICSA-N 0 3 375.535 0.219 20 0 GCADHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000408451000 530529900 /nfs/dbraw/zinc/52/99/00/530529900.db2.gz JHZIFCYLYDUGOU-OWCLPIDISA-N 0 3 395.591 0.935 20 0 GCADHN COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000567987094 530551078 /nfs/dbraw/zinc/55/10/78/530551078.db2.gz PRQWQWIUPZNQPK-NSHDSACASA-N 0 3 383.495 0.951 20 0 GCADHN COC(=O)c1sccc1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000443290364 530532087 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ZINC000451465390 530581474 /nfs/dbraw/zinc/58/14/74/530581474.db2.gz PDTDCVTXUFWGIG-ZJUUUORDSA-N 0 3 395.421 0.709 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000451468144 530581486 /nfs/dbraw/zinc/58/14/86/530581486.db2.gz SZOLRQHLIMRHJD-VHSXEESVSA-N 0 3 395.421 0.567 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000451465389 530581662 /nfs/dbraw/zinc/58/16/62/530581662.db2.gz PDTDCVTXUFWGIG-VHSXEESVSA-N 0 3 395.421 0.709 20 0 GCADHN CC(C)N(CCCNC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C)S(C)(=O)=O ZINC000451472352 530581696 /nfs/dbraw/zinc/58/16/96/530581696.db2.gz RZWMBMYRDWOKJP-FVQBIDKESA-N 0 3 375.535 0.566 20 0 GCADHN CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000573563381 530581815 /nfs/dbraw/zinc/58/18/15/530581815.db2.gz YRPXXYSESHTCSX-CYBMUJFWSA-N 0 3 399.289 0.948 20 0 GCADHN COCCN(C(=O)CN[C@@H]1C[C@](C)(OC)C1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000451489229 530582208 /nfs/dbraw/zinc/58/22/08/530582208.db2.gz NOPMQZYBXPTTLC-VBQJREDUSA-N 0 3 376.519 0.442 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3csc(I)c3)CCN2C1=O ZINC000583575792 530582241 /nfs/dbraw/zinc/58/22/41/530582241.db2.gz SNHRACGNTFBZGQ-IUCAKERBSA-N 0 3 391.234 0.737 20 0 GCADHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1(C)C ZINC000451506460 530582698 /nfs/dbraw/zinc/58/26/98/530582698.db2.gz VTBNRCSRUAZVAE-CWRNSKLLSA-N 0 3 377.551 0.812 20 0 GCADHN CC[C@H](N)C(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000157718628 530551239 /nfs/dbraw/zinc/55/12/39/530551239.db2.gz IHHULLCWWDYBDL-JQWIXIFHSA-N 0 3 378.210 0.884 20 0 GCADHN O=C(NCCNC(=O)c1cccc(Br)c1)NC[C@H]1CNCCO1 ZINC000417443911 530551315 /nfs/dbraw/zinc/55/13/15/530551315.db2.gz YBPOZKLTSALVKA-CYBMUJFWSA-N 0 3 385.262 0.467 20 0 GCADHN CCCNC(=O)NC(=O)CN(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000574363527 530590687 /nfs/dbraw/zinc/59/06/87/530590687.db2.gz ZSZLXYXRLVLXRQ-CYBMUJFWSA-N 0 3 376.523 0.604 20 0 GCADHN CCN(CCO)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000519242251 530591384 /nfs/dbraw/zinc/59/13/84/530591384.db2.gz KYSCRVHNKOOISH-UHFFFAOYSA-N 0 3 398.312 0.702 20 0 GCADHN CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000519382579 530593296 /nfs/dbraw/zinc/59/32/96/530593296.db2.gz KWAHROLTZIQDGT-JTQLQIEISA-N 0 3 389.319 0.570 20 0 GCADHN O=S(=O)(NCCNCC1(O)CCS(=O)(=O)CC1)c1cccc(Cl)c1 ZINC000574750118 530594484 /nfs/dbraw/zinc/59/44/84/530594484.db2.gz WDRKMKMZSYEGCK-UHFFFAOYSA-N 0 3 396.918 0.148 20 0 GCADHN CS(=O)(=O)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1Cl ZINC000519426553 530594636 /nfs/dbraw/zinc/59/46/36/530594636.db2.gz MANZOUSRJTULSS-ZYHUDNBSSA-N 0 3 386.861 0.519 20 0 GCADHN CN(CCCN1CCOCC1)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451985502 530595357 /nfs/dbraw/zinc/59/53/57/530595357.db2.gz KIKLIJWTMMWMAO-UHFFFAOYSA-N 0 3 375.466 0.506 20 0 GCADHN C[C@H]1CN(CCN(C)CCOc2ccc(S(N)(=O)=O)cc2F)CCO1 ZINC000451984366 530595650 /nfs/dbraw/zinc/59/56/50/530595650.db2.gz IYRFDOGHZAUIOK-ZDUSSCGKSA-N 0 3 375.466 0.504 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@](CO)(COC)C1 ZINC000452023296 530596013 /nfs/dbraw/zinc/59/60/13/530596013.db2.gz NKOQWLJLQFYBAK-PWSUYJOCSA-N 0 3 377.381 0.531 20 0 GCADHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000575058495 530596808 /nfs/dbraw/zinc/59/68/08/530596808.db2.gz DYYGGYVSIUVLQE-QMMMGPOBSA-N 0 3 385.305 0.726 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CCN2C1=O ZINC000580580671 530615170 /nfs/dbraw/zinc/61/51/70/530615170.db2.gz FPGMLZFJFRNWKU-KOLCDFICSA-N 0 3 387.845 0.044 20 0 GCADHN C[C@@H](CN(C)C)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000575251549 530598829 /nfs/dbraw/zinc/59/88/29/530598829.db2.gz FNJXWAKPYSFPQC-ZDUSSCGKSA-N 0 3 377.532 0.250 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@H](O)C1CC1 ZINC000575312433 530599541 /nfs/dbraw/zinc/59/95/41/530599541.db2.gz QZWMUXCJBRKBLF-ZDUSSCGKSA-N 0 3 376.500 0.071 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000519758449 530600588 /nfs/dbraw/zinc/60/05/88/530600588.db2.gz LBLBERGYLXWBFX-LBPRGKRZSA-N 0 3 375.878 0.524 20 0 GCADHN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000519827177 530601908 /nfs/dbraw/zinc/60/19/08/530601908.db2.gz MNAMYEJSHXFEPL-CHWSQXEVSA-N 0 3 375.516 0.875 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)NC[C@@H]1CCCCN1CCO ZINC000452387765 530602869 /nfs/dbraw/zinc/60/28/69/530602869.db2.gz HZTHXKYPMUOOQE-AWEZNQCLSA-N 0 3 386.290 0.964 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cc(F)ccc3OC(F)F)CCN2C1=O ZINC000580572341 530615557 /nfs/dbraw/zinc/61/55/57/530615557.db2.gz SXHGKFDEMAPAIM-UWVGGRQHSA-N 0 3 379.360 0.360 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3COc4ccc(Br)cc43)CCN2C1=O ZINC000576003652 530604633 /nfs/dbraw/zinc/60/46/33/530604633.db2.gz BGOKKBZRPGAXHZ-KGYLQXTDSA-N 0 3 380.242 0.696 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)CC1 ZINC000329121920 530606492 /nfs/dbraw/zinc/60/64/92/530606492.db2.gz WJKXJQCFKDFFSQ-HUUCEWRRSA-N 0 3 390.575 0.201 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452800886 530606859 /nfs/dbraw/zinc/60/68/59/530606859.db2.gz XIMPWKGNBIYDNI-HZPDHXFCSA-N 0 3 375.535 0.544 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)CC1 ZINC000329121919 530606867 /nfs/dbraw/zinc/60/68/67/530606867.db2.gz WJKXJQCFKDFFSQ-GJZGRUSLSA-N 0 3 390.575 0.201 20 0 GCADHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000266131381 530607211 /nfs/dbraw/zinc/60/72/11/530607211.db2.gz AZVLSQAOGARKIP-BBRMVZONSA-N 0 3 389.543 0.898 20 0 GCADHN O=S(=O)(CCNC[C@@H](O)COCc1ccccc1F)N1CCSCC1 ZINC000576512518 530608889 /nfs/dbraw/zinc/60/88/89/530608889.db2.gz YYQDBBCZXNYOSX-OAHLLOKOSA-N 0 3 392.518 0.671 20 0 GCADHN CC(C(=O)NC1CCCCC1)S(=O)(=O)Cc1nnn(CC(F)(F)F)n1 ZINC000576528306 530609532 /nfs/dbraw/zinc/60/95/32/530609532.db2.gz FZTVPVAGIGUJIG-SECBINFHSA-N 0 3 383.396 0.988 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000576687941 530610809 /nfs/dbraw/zinc/61/08/09/530610809.db2.gz FWHWNYCMTWBMQC-UONOGXRCSA-N 0 3 397.273 0.842 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000576687939 530610923 /nfs/dbraw/zinc/61/09/23/530610923.db2.gz FWHWNYCMTWBMQC-KBPBESRZSA-N 0 3 397.273 0.842 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000576687940 530611284 /nfs/dbraw/zinc/61/12/84/530611284.db2.gz FWHWNYCMTWBMQC-KGLIPLIRSA-N 0 3 397.273 0.842 20 0 GCADHN COCCN1CC[C@H](NC(=O)NCCn2cc(Br)ccc2=O)C1 ZINC000454541106 530611350 /nfs/dbraw/zinc/61/13/50/530611350.db2.gz KLNVRRONPJQPNC-ZDUSSCGKSA-N 0 3 387.278 0.631 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NC[C@H]1CNCCO1 ZINC000576743499 530611450 /nfs/dbraw/zinc/61/14/50/530611450.db2.gz AFPZREWTYHXJHQ-CYBMUJFWSA-N 0 3 387.527 0.570 20 0 GCADHN COc1cc(Cl)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Cl ZINC000576718621 530611658 /nfs/dbraw/zinc/61/16/58/530611658.db2.gz GAROTYIDWCLUMX-GZMMTYOYSA-N 0 3 394.280 0.935 20 0 GCADHN C[C@@H](NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)C1=CCN(C)CC1 ZINC000576930886 530613696 /nfs/dbraw/zinc/61/36/96/530613696.db2.gz RXZKKKAHRMLFMX-ZYHUDNBSSA-N 0 3 386.440 0.758 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](CS(C)(=O)=O)C1 ZINC000451573559 530584668 /nfs/dbraw/zinc/58/46/68/530584668.db2.gz JRUMPGXSTXWVOI-ZJUUUORDSA-N 0 3 395.421 0.567 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@@H]1CCOC ZINC000451562034 530584865 /nfs/dbraw/zinc/58/48/65/530584865.db2.gz DSEBJVRUWLSQAV-QWRGUYRKSA-N 0 3 377.381 0.938 20 0 GCADHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)NCCCN(C)S(C)(=O)=O ZINC000451591750 530584893 /nfs/dbraw/zinc/58/48/93/530584893.db2.gz OYZPSZWJNBNWOY-KGLIPLIRSA-N 0 3 377.507 0.096 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000573905308 530585024 /nfs/dbraw/zinc/58/50/24/530585024.db2.gz KKSYMQRHEXYXSH-GHMZBOCLSA-N 0 3 392.934 0.931 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000519156458 530588254 /nfs/dbraw/zinc/58/82/54/530588254.db2.gz LOFIBEVLIQSPLE-CYBMUJFWSA-N 0 3 375.516 0.596 20 0 GCADHN CC(C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000329899269 530622927 /nfs/dbraw/zinc/62/29/27/530622927.db2.gz MVKQNANQERVQPP-ZNMIVQPWSA-N 0 3 376.519 0.536 20 0 GCADHN CN(C)CC(C)(C)NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000457206613 530623025 /nfs/dbraw/zinc/62/30/25/530623025.db2.gz LJXLWPVDXRAISU-UHFFFAOYSA-N 0 3 375.516 0.839 20 0 GCADHN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000577651293 530623305 /nfs/dbraw/zinc/62/33/05/530623305.db2.gz FUYPRDATUJYXKE-GHMZBOCLSA-N 0 3 382.873 0.771 20 0 GCADHN C[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)CN1CCCCC1 ZINC000330034266 530624317 /nfs/dbraw/zinc/62/43/17/530624317.db2.gz AYDJUYYEKGHIEP-HNNXBMFYSA-N 0 3 395.591 0.699 20 0 GCADHN N[C@@H]1C[C@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)CCN2C1=O ZINC000577769722 530624552 /nfs/dbraw/zinc/62/45/52/530624552.db2.gz UMSFBTGMQLEZGJ-ZNMIVQPWSA-N 0 3 393.285 0.798 20 0 GCADHN C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330053006 530624865 /nfs/dbraw/zinc/62/48/65/530624865.db2.gz PWVJTMHPWPYQEF-LSDHHAIUSA-N 0 3 395.591 0.698 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[C@@H](C)O1 ZINC000577842864 530625148 /nfs/dbraw/zinc/62/51/48/530625148.db2.gz JRGKBEJQBDLZDV-FPCVCCKLSA-N 0 3 375.535 0.003 20 0 GCADHN CC[C@@H]1CCCCN1CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330062220 530625334 /nfs/dbraw/zinc/62/53/34/530625334.db2.gz AOBDVZATOJISKU-MRXNPFEDSA-N 0 3 395.591 0.842 20 0 GCADHN NS(=O)(=O)CCCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000457796643 530625564 /nfs/dbraw/zinc/62/55/64/530625564.db2.gz MCUCSEOYTOJBOW-UHFFFAOYSA-N 0 3 378.564 0.716 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CC1 ZINC000457718494 530625586 /nfs/dbraw/zinc/62/55/86/530625586.db2.gz VUYBKRKZPCBSMY-ZIAGYGMSSA-N 0 3 375.539 0.477 20 0 GCADHN CCN1CCC[C@H]1CN(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330094083 530626243 /nfs/dbraw/zinc/62/62/43/530626243.db2.gz SJNFLFVRRHBALL-HNNXBMFYSA-N 0 3 381.564 0.404 20 0 GCADHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000330095370 530626495 /nfs/dbraw/zinc/62/64/95/530626495.db2.gz VIXWQEUCSQGDHW-HIFRSBDPSA-N 0 3 379.548 0.156 20 0 GCADHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000330163767 530628540 /nfs/dbraw/zinc/62/85/40/530628540.db2.gz SSNXZHVUYYLXAL-HOTGVXAUSA-N 0 3 393.575 0.404 20 0 GCADHN CC[C@H](CNS(C)(=O)=O)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000458363617 530631105 /nfs/dbraw/zinc/63/11/05/530631105.db2.gz RUPVZPXDMBZJAY-CYBMUJFWSA-N 0 3 378.539 0.503 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000458745895 530633883 /nfs/dbraw/zinc/63/38/83/530633883.db2.gz PWNVNNYIXWZLEI-CQSZACIVSA-N 0 3 375.539 0.335 20 0 GCADHN CS(=O)(=O)c1csc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000331796280 530636701 /nfs/dbraw/zinc/63/67/01/530636701.db2.gz AAKSQDUHQKOASR-UHFFFAOYSA-N 0 3 385.511 0.532 20 0 GCADHN CON1CCC(N(C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000459579917 530637236 /nfs/dbraw/zinc/63/72/36/530637236.db2.gz KYCPOWQUOMHHIX-UHFFFAOYSA-N 0 3 378.539 0.120 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)NCCNC(=O)c2cccc(Br)c2)C1 ZINC000460253932 530641054 /nfs/dbraw/zinc/64/10/54/530641054.db2.gz CODGXLZSKFGJDO-MRXNPFEDSA-N 0 3 399.289 0.545 20 0 GCADHN C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccnc2)C1 ZINC000349464412 530641522 /nfs/dbraw/zinc/64/15/22/530641522.db2.gz NRIIPVPVZOZMDN-CQSZACIVSA-N 0 3 390.531 0.427 20 0 GCADHN CCc1cccc(OC[C@@H](O)CNCCS(=O)(=O)N2CCSCC2)c1 ZINC000577385041 530619831 /nfs/dbraw/zinc/61/98/31/530619831.db2.gz CENPXPDFOKSDMH-INIZCTEOSA-N 0 3 388.555 0.957 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCOc3ncc(Cl)cc3Cl)CCN2C1=O ZINC000577389849 530619951 /nfs/dbraw/zinc/61/99/51/530619951.db2.gz WUKYVTYCFIPYGB-JQWIXIFHSA-N 0 3 388.255 0.721 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c(OC)c1 ZINC000577505825 530621322 /nfs/dbraw/zinc/62/13/22/530621322.db2.gz KXTONKYHTOLGAW-NEPJUHHUSA-N 0 3 391.515 0.957 20 0 GCADHN CS[C@@H]1CN(C(=O)CSCC(=O)N2CCOCC2)C[C@H]1N1CCCC1 ZINC000329799589 530621528 /nfs/dbraw/zinc/62/15/28/530621528.db2.gz XXUJGVNVEOWISN-HUUCEWRRSA-N 0 3 387.571 0.617 20 0 GCADHN Cc1ncc(CNC(=O)CCN2CCC(N3CCCS3(=O)=O)CC2)s1 ZINC000639672780 530680918 /nfs/dbraw/zinc/68/09/18/530680918.db2.gz JEUTZNLAAUKHIP-UHFFFAOYSA-N 0 3 386.543 0.958 20 0 GCADHN CCN1CCN(CCCCNC(=O)NCCS(=O)(=O)NC(C)C)CC1 ZINC000514101985 530681217 /nfs/dbraw/zinc/68/12/17/530681217.db2.gz JFIHOGZNGMQZHJ-UHFFFAOYSA-N 0 3 377.555 0.031 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000461895996 530646195 /nfs/dbraw/zinc/64/61/95/530646195.db2.gz DKRNFGARDGLCPH-SWLSCSKDSA-N 0 3 391.490 0.864 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)CC2(C(=O)OC)CCC2)CC1 ZINC000462099291 530648425 /nfs/dbraw/zinc/64/84/25/530648425.db2.gz CROQVZGDYMRRSN-HNNXBMFYSA-N 0 3 375.535 0.523 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cs1 ZINC000462159515 530648734 /nfs/dbraw/zinc/64/87/34/530648734.db2.gz QLHVLSLKGHZFRH-NSHDSACASA-N 0 3 389.499 0.400 20 0 GCADHN COCC[N@H+](C)CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000498201431 530650209 /nfs/dbraw/zinc/65/02/09/530650209.db2.gz ONSGMNXJAKCUQZ-LBPRGKRZSA-N 0 3 376.479 0.043 20 0 GCADHN COCC[N@@H+](C)CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000498201431 530650213 /nfs/dbraw/zinc/65/02/13/530650213.db2.gz ONSGMNXJAKCUQZ-LBPRGKRZSA-N 0 3 376.479 0.043 20 0 GCADHN CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](N)CC(F)F)c2)CC1 ZINC000498205467 530651710 /nfs/dbraw/zinc/65/17/10/530651710.db2.gz RFCUOSMQTWTQQT-CYBMUJFWSA-N 0 3 376.429 0.544 20 0 GCADHN CSC1(CNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CCN(C)CC1 ZINC000462512463 530651771 /nfs/dbraw/zinc/65/17/71/530651771.db2.gz QGTRACUQMGOCDH-KGLIPLIRSA-N 0 3 392.591 0.973 20 0 GCADHN CSC1(CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CCN(C)CC1 ZINC000462507961 530651935 /nfs/dbraw/zinc/65/19/35/530651935.db2.gz HICYKZWFONWRSO-CQSZACIVSA-N 0 3 392.591 0.927 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332739260 530653079 /nfs/dbraw/zinc/65/30/79/530653079.db2.gz YAXFXZCUCHIUJI-IJLUTSLNSA-N 0 3 388.408 0.605 20 0 GCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000333503925 530659786 /nfs/dbraw/zinc/65/97/86/530659786.db2.gz OHFFDEFWACBHOD-KBPBESRZSA-N 0 3 378.564 0.347 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000465892977 530667653 /nfs/dbraw/zinc/66/76/53/530667653.db2.gz SAYNKOKGFGLDAL-LSDHHAIUSA-N 0 3 376.523 0.258 20 0 GCADHN COC(=O)c1csc(S(=O)(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1 ZINC000609675250 530669183 /nfs/dbraw/zinc/66/91/83/530669183.db2.gz GICDXSSQZKPOGT-AWEZNQCLSA-N 0 3 387.527 0.935 20 0 GCADHN CN(C)C1(CNC(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)CCC1 ZINC000580355255 530670453 /nfs/dbraw/zinc/67/04/53/530670453.db2.gz ISLROEHCYXPZSZ-CQSZACIVSA-N 0 3 375.539 0.431 20 0 GCADHN CCCN1CCC(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000467498157 530674577 /nfs/dbraw/zinc/67/45/77/530674577.db2.gz CEJGTIABOIANSK-UHFFFAOYSA-N 0 3 389.543 0.759 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)NCC[NH2+]C1CC1 ZINC000669581593 530676367 /nfs/dbraw/zinc/67/63/67/530676367.db2.gz VKZVTJPULVMYBV-UHFFFAOYSA-N 0 3 378.857 0.809 20 0 GCADHN COCCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[C@H](C)C1 ZINC000639611025 530679444 /nfs/dbraw/zinc/67/94/44/530679444.db2.gz ONFULWZHHSOWFO-GOEBONIOSA-N 0 3 375.535 0.664 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000563946979 530686159 /nfs/dbraw/zinc/68/61/59/530686159.db2.gz HGSUKAMSHHSBAB-SMDDNHRTSA-N 0 3 397.273 0.620 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000563946976 530686174 /nfs/dbraw/zinc/68/61/74/530686174.db2.gz HGSUKAMSHHSBAB-BXUZGUMPSA-N 0 3 397.273 0.620 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N1CCNC(=O)[C@@H]1c1ccccc1Br ZINC000563946978 530686487 /nfs/dbraw/zinc/68/64/87/530686487.db2.gz HGSUKAMSHHSBAB-RISCZKNCSA-N 0 3 397.273 0.620 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000469276089 530687674 /nfs/dbraw/zinc/68/76/74/530687674.db2.gz JPJMCDALGZWEGJ-BZUAXINKSA-N 0 3 375.535 0.664 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000469276125 530688127 /nfs/dbraw/zinc/68/81/27/530688127.db2.gz JPJMCDALGZWEGJ-OWCLPIDISA-N 0 3 375.535 0.664 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(OC)cc1Br ZINC000469646664 530690703 /nfs/dbraw/zinc/69/07/03/530690703.db2.gz ZEGCCIIYINSFPW-UHFFFAOYSA-N 0 3 388.262 0.827 20 0 GCADHN CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000418077247 530690978 /nfs/dbraw/zinc/69/09/78/530690978.db2.gz LDUHDLYTBAVZIV-LBPRGKRZSA-N 0 3 382.477 0.876 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000368202527 530720669 /nfs/dbraw/zinc/72/06/69/530720669.db2.gz OZJUAFBFBUTBJY-MRXNPFEDSA-N 0 3 375.535 0.617 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472087190 530702047 /nfs/dbraw/zinc/70/20/47/530702047.db2.gz FZFCFTDJYYPLHX-LSDHHAIUSA-N 0 3 394.607 0.190 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000472087189 530702542 /nfs/dbraw/zinc/70/25/42/530702542.db2.gz FZFCFTDJYYPLHX-HUUCEWRRSA-N 0 3 394.607 0.190 20 0 GCADHN CC(C)[C@H](C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)N(C)C ZINC000472261855 530703512 /nfs/dbraw/zinc/70/35/12/530703512.db2.gz RAWYDIPUOAWMRU-MRXNPFEDSA-N 0 3 375.535 0.662 20 0 GCADHN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000472417499 530704864 /nfs/dbraw/zinc/70/48/64/530704864.db2.gz WITLDXZJPUJMBR-HZPDHXFCSA-N 0 3 375.535 0.400 20 0 GCADHN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000472417498 530705128 /nfs/dbraw/zinc/70/51/28/530705128.db2.gz WITLDXZJPUJMBR-HOTGVXAUSA-N 0 3 375.535 0.400 20 0 GCADHN CS(=O)(=O)CCOCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000363114468 530710203 /nfs/dbraw/zinc/71/02/03/530710203.db2.gz BRMQWNLGSSAQAB-UHFFFAOYSA-N 0 3 393.575 0.708 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000473486843 530711593 /nfs/dbraw/zinc/71/15/93/530711593.db2.gz FTITXUOXGBDZMI-GFCCVEGCSA-N 0 3 398.305 0.925 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000474869997 530721459 /nfs/dbraw/zinc/72/14/59/530721459.db2.gz ALEHFOKWSXJZOH-HOCLYGCPSA-N 0 3 377.551 0.956 20 0 GCADHN C[C@@H](CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)N(C)C1CC1 ZINC000477050099 530739894 /nfs/dbraw/zinc/73/98/94/530739894.db2.gz ULYMUUMZLJYNKG-DZGCQCFKSA-N 0 3 376.523 0.257 20 0 GCADHN CN(C)S(=O)(=O)N(C)CC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000579250877 530740770 /nfs/dbraw/zinc/74/07/70/530740770.db2.gz YVLITMJMLCLTHS-UHFFFAOYSA-N 0 3 392.591 0.593 20 0 GCADHN COC[C@@H](CS(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)OC ZINC000641420822 530741953 /nfs/dbraw/zinc/74/19/53/530741953.db2.gz HGAYWGVUOXIDEX-INIZCTEOSA-N 0 3 377.551 0.327 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000477465040 530743759 /nfs/dbraw/zinc/74/37/59/530743759.db2.gz SOYGCRWXAHQUGA-CQSZACIVSA-N 0 3 375.516 0.308 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000477487652 530744123 /nfs/dbraw/zinc/74/41/23/530744123.db2.gz KKRKICIJFNSSRQ-GJZGRUSLSA-N 0 3 388.559 0.957 20 0 GCADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC[C@H]2CCN(C)C[C@H]21)C(F)(F)F ZINC000368577338 530724668 /nfs/dbraw/zinc/72/46/68/530724668.db2.gz VVKVUPBLRZGFRH-UTUOFQBUSA-N 0 3 386.440 0.544 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[C@H]2CCN(C)C[C@H]21)C(F)(F)F ZINC000368577337 530725025 /nfs/dbraw/zinc/72/50/25/530725025.db2.gz VVKVUPBLRZGFRH-IJLUTSLNSA-N 0 3 386.440 0.544 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000477487654 530744314 /nfs/dbraw/zinc/74/43/14/530744314.db2.gz KKRKICIJFNSSRQ-LSDHHAIUSA-N 0 3 388.559 0.957 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000475474851 530725182 /nfs/dbraw/zinc/72/51/82/530725182.db2.gz XXZGJGRBIXSFGY-MRXNPFEDSA-N 0 3 375.535 0.111 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000475800834 530727789 /nfs/dbraw/zinc/72/77/89/530727789.db2.gz WCMPPCLFPOKUGA-BZUAXINKSA-N 0 3 376.519 0.730 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000369063876 530728459 /nfs/dbraw/zinc/72/84/59/530728459.db2.gz KXWWDHZQZNXLOH-LBPRGKRZSA-N 0 3 391.515 0.877 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000475959106 530728787 /nfs/dbraw/zinc/72/87/87/530728787.db2.gz PHTMXPOZRSXAAF-UHFFFAOYSA-N 0 3 376.523 0.163 20 0 GCADHN CN(C)CCOCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000476296391 530731493 /nfs/dbraw/zinc/73/14/93/530731493.db2.gz OOSRGDLOEPOHTE-UHFFFAOYSA-N 0 3 389.543 0.770 20 0 GCADHN O=S(=O)(NCCNC[C@H](O)COC1CCOCC1)c1cccc(Cl)c1 ZINC000578640048 530733486 /nfs/dbraw/zinc/73/34/86/530733486.db2.gz MGQXRBCBNUGNHR-AWEZNQCLSA-N 0 3 392.905 0.764 20 0 GCADHN COCCCN(C)CCNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000369632551 530733966 /nfs/dbraw/zinc/73/39/66/530733966.db2.gz XNTVWFPVBOIPON-OAHLLOKOSA-N 0 3 376.523 0.164 20 0 GCADHN CCN1CCC[C@H](NC(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)C1 ZINC000578671044 530734366 /nfs/dbraw/zinc/73/43/66/530734366.db2.gz PDGSLEJLJIUDCS-LSDHHAIUSA-N 0 3 375.539 0.431 20 0 GCADHN C[C@@H](CN1CCCCCC1)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000476615156 530734688 /nfs/dbraw/zinc/73/46/88/530734688.db2.gz XJECIZFPNGURAF-ZDUSSCGKSA-N 0 3 375.516 0.877 20 0 GCADHN CCN1CCC(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000476654600 530735324 /nfs/dbraw/zinc/73/53/24/530735324.db2.gz OGMOZYPKGSNGKK-HNNXBMFYSA-N 0 3 376.523 0.258 20 0 GCADHN [NH3+]CC1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000418162876 530749898 /nfs/dbraw/zinc/74/98/98/530749898.db2.gz GENQFTWNEWRPLA-UHFFFAOYSA-N 0 3 376.429 0.623 20 0 GCADHN [NH3+]CCN(CCO)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000418163413 530750132 /nfs/dbraw/zinc/75/01/32/530750132.db2.gz HNDWYTQEIRHRHM-UHFFFAOYSA-N 0 3 399.300 0.234 20 0 GCADHN C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418164336 530750582 /nfs/dbraw/zinc/75/05/82/530750582.db2.gz HKVJHWRBXQVVAS-WDEREUQCSA-N 0 3 376.429 0.622 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N[C@@H](CO)CN1CCCCC1 ZINC000580836333 530751154 /nfs/dbraw/zinc/75/11/54/530751154.db2.gz ZZXGVHOSBLFHRG-CQSZACIVSA-N 0 3 389.905 0.581 20 0 GCADHN O=C(NC[C@@H](O)COc1ccccc1Br)[C@@H]1CN2CCN1CCC2 ZINC000371297617 530751260 /nfs/dbraw/zinc/75/12/60/530751260.db2.gz MKRFDHNRLHWLJL-HIFRSBDPSA-N 0 3 398.301 0.695 20 0 GCADHN COCCNCCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000418177739 530751499 /nfs/dbraw/zinc/75/14/99/530751499.db2.gz DSJWZTIGHYZRQT-UHFFFAOYSA-N 0 3 392.909 0.462 20 0 GCADHN COCCCN1CCC(NC(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000371517362 530754151 /nfs/dbraw/zinc/75/41/51/530754151.db2.gz JTUCSIGGNBKEAN-UHFFFAOYSA-N 0 3 376.523 0.164 20 0 GCADHN NC(=O)[C@H](c1ccc(Br)cc1F)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581142604 530754651 /nfs/dbraw/zinc/75/46/51/530754651.db2.gz PLQPECUWPLNKBT-WQAKAFBOSA-N 0 3 385.237 0.358 20 0 GCADHN Cc1ccc(Br)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000581261007 530756180 /nfs/dbraw/zinc/75/61/80/530756180.db2.gz HETOAPGPIFDOOK-PWSUYJOCSA-N 0 3 395.257 0.466 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc2c(c1)OCO2 ZINC000479659354 530758276 /nfs/dbraw/zinc/75/82/76/530758276.db2.gz IZBZOTTTYSXFHK-JQWIXIFHSA-N 0 3 389.451 0.022 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc2c(c1)OCO2 ZINC000479659355 530758294 /nfs/dbraw/zinc/75/82/94/530758294.db2.gz IZBZOTTTYSXFHK-PWSUYJOCSA-N 0 3 389.451 0.022 20 0 GCADHN COCC[C@@H](C)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000641600185 530759903 /nfs/dbraw/zinc/75/99/03/530759903.db2.gz HDFVFNIBLSHPOY-PMPSAXMXSA-N 0 3 377.551 0.908 20 0 GCADHN CC(C)C[C@H](NS(=O)(=O)C[C@@H]1CCCO1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000641599089 530760404 /nfs/dbraw/zinc/76/04/04/530760404.db2.gz TVOXODMOVSZSLP-JYJNAYRXSA-N 0 3 375.535 0.662 20 0 GCADHN CC(C)C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000641599089 530760407 /nfs/dbraw/zinc/76/04/07/530760407.db2.gz TVOXODMOVSZSLP-JYJNAYRXSA-N 0 3 375.535 0.662 20 0 GCADHN COCCN(CCOC)S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000372075791 530761822 /nfs/dbraw/zinc/76/18/22/530761822.db2.gz RSMNWWVVBLWCPJ-WBVHZDCISA-N 0 3 375.535 0.775 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000477588586 530745173 /nfs/dbraw/zinc/74/51/73/530745173.db2.gz IAYUTLYPKHGMPN-INIZCTEOSA-N 0 3 389.591 0.777 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000370672459 530745749 /nfs/dbraw/zinc/74/57/49/530745749.db2.gz FDNWAJURYFJWTP-NEPJUHHUSA-N 0 3 391.490 0.817 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CNCCn2cc(Br)ccc2=O)C[C@@H](C)O1 ZINC000581880232 530763882 /nfs/dbraw/zinc/76/38/82/530763882.db2.gz YBOSZUJCMAFVNC-NFAWXSAZSA-N 0 3 388.306 0.671 20 0 GCADHN CN1C[C@@H]2CCCN(CC(=O)Nc3cc(S(N)(=O)=O)ccc3Cl)[C@@H]2C1 ZINC000579826030 530748106 /nfs/dbraw/zinc/74/81/06/530748106.db2.gz BTIATOBHBIPUMW-XHDPSFHLSA-N 0 3 386.905 0.952 20 0 GCADHN CCS(=O)(=O)NCC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000371162879 530748781 /nfs/dbraw/zinc/74/87/81/530748781.db2.gz CIHLWZTYTDZTDL-GASCZTMLSA-N 0 3 375.535 0.664 20 0 GCADHN COC(=O)[C@H](C)CS(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371216049 530749008 /nfs/dbraw/zinc/74/90/08/530749008.db2.gz PMGJPBNHIUQNAI-OAHLLOKOSA-N 0 3 375.535 0.616 20 0 GCADHN C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000418157153 530749155 /nfs/dbraw/zinc/74/91/55/530749155.db2.gz BAGUKVCIYADILP-GXFFZTMASA-N 0 3 376.429 0.622 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[NH2+]1 ZINC000418156583 530749207 /nfs/dbraw/zinc/74/92/07/530749207.db2.gz AUFZVPAQWLUNKY-PWSUYJOCSA-N 0 3 376.429 0.683 20 0 GCADHN C[NH2+][C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418160293 530749308 /nfs/dbraw/zinc/74/93/08/530749308.db2.gz DAMFVCGLOAQWOE-NSHDSACASA-N 0 3 378.857 0.761 20 0 GCADHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C[C@H]1C ZINC000480674595 530769465 /nfs/dbraw/zinc/76/94/65/530769465.db2.gz VCDYCAOAEAVMPK-CHWSQXEVSA-N 0 3 375.516 0.978 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCc2ccc(Br)s2)[C@H](CN)C1 ZINC000642506500 530771855 /nfs/dbraw/zinc/77/18/55/530771855.db2.gz NPBUMQOJTXRPOV-SNVBAGLBSA-N 0 3 389.319 0.271 20 0 GCADHN CCCCNC(=O)[C@@H]1CSCN1C(=O)C(C)S(=O)(=O)C1CCOCC1 ZINC000481203768 530776015 /nfs/dbraw/zinc/77/60/15/530776015.db2.gz FCWDTTMJVAYCTE-JSGCOSHPSA-N 0 3 392.543 0.787 20 0 GCADHN CN(C)[C@]1(CNC(=O)CSc2nnnn2CC(F)(F)F)CCSC1 ZINC000481185064 530776580 /nfs/dbraw/zinc/77/65/80/530776580.db2.gz DAWLJSFKQUGXEJ-NSHDSACASA-N 0 3 384.453 0.881 20 0 GCADHN CC(C(=O)NCCCNC(=O)c1cccs1)S(=O)(=O)C1CCOCC1 ZINC000481221730 530776927 /nfs/dbraw/zinc/77/69/27/530776927.db2.gz NYRGJDXYGHPHSA-GFCCVEGCSA-N 0 3 388.511 0.967 20 0 GCADHN CCOC(=O)C[C@](C)(NCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000481692539 530780221 /nfs/dbraw/zinc/78/02/21/530780221.db2.gz XERPLXIRSUKLOT-YOEHRIQHSA-N 0 3 376.519 0.980 20 0 GCADHN CC(C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000045764373 530780255 /nfs/dbraw/zinc/78/02/55/530780255.db2.gz LWTYOVRQEDPTBG-LLVKDONJSA-N 0 3 378.447 0.092 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000646208946 530785331 /nfs/dbraw/zinc/78/53/31/530785331.db2.gz OPNOOUMAKAZNBN-JTQLQIEISA-N 0 3 383.392 0.022 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000646210939 530785737 /nfs/dbraw/zinc/78/57/37/530785737.db2.gz MGRYXWOYDUHOTB-NSHDSACASA-N 0 3 383.246 0.198 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc1 ZINC000012141358 530765122 /nfs/dbraw/zinc/76/51/22/530765122.db2.gz PYUJIYNAZFHSHU-UHFFFAOYSA-N 0 3 377.532 0.992 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)CN2CCCC2)cc1C ZINC000480448606 530765789 /nfs/dbraw/zinc/76/57/89/530765789.db2.gz XZCHSKKFYVDJNZ-CYBMUJFWSA-N 0 3 389.543 0.913 20 0 GCADHN CCN1CCC[C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)C1 ZINC000480534860 530766897 /nfs/dbraw/zinc/76/68/97/530766897.db2.gz HDVJEBVVORJOGT-AWEZNQCLSA-N 0 3 389.543 0.913 20 0 GCADHN CN1CCCN(CCCNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000641648085 530767122 /nfs/dbraw/zinc/76/71/22/530767122.db2.gz XBKDSELRDTXQHY-UHFFFAOYSA-N 0 3 389.543 0.396 20 0 GCADHN Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCCCN1CCCN(C)CC1 ZINC000641651046 530767655 /nfs/dbraw/zinc/76/76/55/530767655.db2.gz ZIYDYMKLPHWHTC-UHFFFAOYSA-N 0 3 383.440 0.745 20 0 GCADHN COCCN(C)CCCNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000372399917 530767797 /nfs/dbraw/zinc/76/77/97/530767797.db2.gz XXMPQUMECMTKTE-UHFFFAOYSA-N 0 3 376.523 0.211 20 0 GCADHN CC(C)CCNC(=O)C(C)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000064357105 530787281 /nfs/dbraw/zinc/78/72/81/530787281.db2.gz UBAUXOGXIGNKFA-LLVKDONJSA-N 0 3 376.504 0.699 20 0 GCADHN C[C@H]1CN(CCCNC(=O)CC2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC000655030316 530799267 /nfs/dbraw/zinc/79/92/67/530799267.db2.gz NLNPHKSUKYDXDI-HNNXBMFYSA-N 0 3 375.535 0.665 20 0 GCADHN CC(C)O[C@]1(CS(=O)(=O)N2CCC(OCCN(C)C)CC2)CCOC1 ZINC000659915279 530803630 /nfs/dbraw/zinc/80/36/30/530803630.db2.gz HAXNAJHUZMQCRB-QGZVFWFLSA-N 0 3 378.535 0.943 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)s1)N[C@H](CO)CN1CCCC1 ZINC000646220032 530788569 /nfs/dbraw/zinc/78/85/69/530788569.db2.gz CXJBDOPQNXKAHJ-JTQLQIEISA-N 0 3 390.303 0.813 20 0 GCADHN CCS(=O)(=O)N(C)C1CCN(C(=O)NCCCN(C)CCOC)CC1 ZINC000066977074 530790867 /nfs/dbraw/zinc/79/08/67/530790867.db2.gz NMAVHDDONMRDPD-UHFFFAOYSA-N 0 3 378.539 0.410 20 0 GCADHN CN(C)CCOC1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000485116996 530796821 /nfs/dbraw/zinc/79/68/21/530796821.db2.gz NCBXKYLSMWAJOC-UHFFFAOYSA-N 0 3 375.535 0.761 20 0 GCADHN CN(C)[C@]1(CNC(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)CCSC1 ZINC000498579383 530827861 /nfs/dbraw/zinc/82/78/61/530827861.db2.gz GJYBHPSVPUWAOZ-GUTXKFCHSA-N 0 3 378.564 0.583 20 0 GCADHN CSC1(CNC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CCN(C)CC1 ZINC000491076472 530831133 /nfs/dbraw/zinc/83/11/33/530831133.db2.gz LJKIOZYIQFQMGI-ZDUSSCGKSA-N 0 3 378.564 0.489 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621101569 530832000 /nfs/dbraw/zinc/83/20/00/530832000.db2.gz OAHVIORGJSWKNN-GFCCVEGCSA-N 0 3 399.289 0.950 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621101569 530832004 /nfs/dbraw/zinc/83/20/04/530832004.db2.gz OAHVIORGJSWKNN-GFCCVEGCSA-N 0 3 399.289 0.950 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)C1 ZINC000656334843 530834391 /nfs/dbraw/zinc/83/43/91/530834391.db2.gz HIBOBKXJJYMVFF-ZDUSSCGKSA-N 0 3 389.543 0.993 20 0 GCADHN O=C(Cn1cc(Br)ccc1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000378161002 530834670 /nfs/dbraw/zinc/83/46/70/530834670.db2.gz VVPHPRPWABKXRV-AWEZNQCLSA-N 0 3 384.274 0.980 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(Br)nc1 ZINC000378182527 530835558 /nfs/dbraw/zinc/83/55/58/530835558.db2.gz FWAFVIBOFWQKBG-NWDGAFQWSA-N 0 3 383.246 0.762 20 0 GCADHN CC(C(=O)NCCc1ccc(F)cc1)S(=O)(=O)CCCS(C)(=O)=O ZINC000492183395 530835677 /nfs/dbraw/zinc/83/56/77/530835677.db2.gz VAQMBZYTHHEJQA-GFCCVEGCSA-N 0 3 379.475 0.722 20 0 GCADHN CC(C(=O)N[C@H]1CCOc2ccccc21)S(=O)(=O)CCCS(C)(=O)=O ZINC000492129957 530836017 /nfs/dbraw/zinc/83/60/17/530836017.db2.gz XXMWUDRKPWVALC-OCCSQVGLSA-N 0 3 389.495 0.864 20 0 GCADHN CC(C)N1CCCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486786996 530807547 /nfs/dbraw/zinc/80/75/47/530807547.db2.gz NQBNGBKZNYGTDO-GFCCVEGCSA-N 0 3 388.456 0.934 20 0 GCADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCCS(N)(=O)=O)C2)CC1 ZINC000375898985 530808543 /nfs/dbraw/zinc/80/85/43/530808543.db2.gz ZPFVYAJWDMCLSY-CQSZACIVSA-N 0 3 376.523 0.292 20 0 GCADHN CCOCCCN1CC[C@@H](NS(=O)(=O)N(C)CCC(=O)OC)[C@H](C)C1 ZINC000486989676 530810314 /nfs/dbraw/zinc/81/03/14/530810314.db2.gz UUGAKXGOHUWMDB-HUUCEWRRSA-N 0 3 379.523 0.453 20 0 GCADHN COCCN(C)CCCNC(=O)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000488378997 530816950 /nfs/dbraw/zinc/81/69/50/530816950.db2.gz KWWPYQPYIKCARJ-UHFFFAOYSA-N 0 3 375.535 0.955 20 0 GCADHN COCCNc1nc(N[C@@H]2CCCSC2)nc(N[C@H]2CCCSC2)n1 ZINC000488518799 530817594 /nfs/dbraw/zinc/81/75/94/530817594.db2.gz FFOJJYKYZCMRCM-BETUJISGSA-N 0 3 384.575 0.811 20 0 GCADHN CS[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)C[C@H]1N(C)C ZINC000619538637 530819458 /nfs/dbraw/zinc/81/94/58/530819458.db2.gz HASJXBILSANXEM-CHWSQXEVSA-N 0 3 387.531 0.841 20 0 GCADHN CCOC(=O)N[C@H](CNC(=O)C1(S(C)(=O)=O)CCNCC1)CC(C)C ZINC000377140027 530822441 /nfs/dbraw/zinc/82/24/41/530822441.db2.gz LSAQHFPQECEREX-ZDUSSCGKSA-N 0 3 377.507 0.430 20 0 GCADHN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@]1(F)CCNC1 ZINC000377150248 530822770 /nfs/dbraw/zinc/82/27/70/530822770.db2.gz FCKPHHHLBBYRKX-OAHLLOKOSA-N 0 3 375.397 0.487 20 0 GCADHN CC(C(=O)NCC(C)(C)[C@]1(O)CCCOC1)S(=O)(=O)C1CCOCC1 ZINC000620111505 530824906 /nfs/dbraw/zinc/82/49/06/530824906.db2.gz KYCKJCKXUDDYCT-DYVFJYSZSA-N 0 3 377.503 0.653 20 0 GCADHN CCNCc1ccn(Cc2cn(-c3cn[nH]c(=O)c3Br)nn2)n1 ZINC000656454021 530846419 /nfs/dbraw/zinc/84/64/19/530846419.db2.gz DSOBKYNLDIFIGE-UHFFFAOYSA-N 0 3 379.222 0.880 20 0 GCADHN CS[C@H]1CN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)C[C@H]1N(C)C ZINC000495654882 530849881 /nfs/dbraw/zinc/84/98/81/530849881.db2.gz MUAGBJFEPBXFSM-CVSAEHQPSA-N 0 3 377.576 0.989 20 0 GCADHN CN(C)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000068340608 530850000 /nfs/dbraw/zinc/85/00/00/530850000.db2.gz ZSTSNUFCDGQGNA-CYBMUJFWSA-N 0 3 386.543 0.918 20 0 GCADHN O=c1ccc(Br)cn1CCNC[C@@H](O)COC1CCOCC1 ZINC000516563540 530852152 /nfs/dbraw/zinc/85/21/52/530852152.db2.gz KLQZLRWJRQNHFI-CYBMUJFWSA-N 0 3 375.263 0.757 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC000498807802 530852172 /nfs/dbraw/zinc/85/21/72/530852172.db2.gz OSTUQYOZAXDAFJ-MWLCHTKSSA-N 0 3 381.422 0.571 20 0 GCADHN NS(=O)(=O)c1cnn(CC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000499106436 530853609 /nfs/dbraw/zinc/85/36/09/530853609.db2.gz NVYSAPWNTGWDHM-ZDUSSCGKSA-N 0 3 383.499 0.545 20 0 GCADHN CC[NH+](CC)CCOCC[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000645649404 530855315 /nfs/dbraw/zinc/85/53/15/530855315.db2.gz PUFNLRSMFPJVFF-UHFFFAOYSA-N 0 3 375.491 0.927 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000582939220 530856684 /nfs/dbraw/zinc/85/66/84/530856684.db2.gz OENGXUGNCLFPMJ-AWEZNQCLSA-N 0 3 377.576 0.992 20 0 GCADHN CO[C@H](CS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000656894988 530857610 /nfs/dbraw/zinc/85/76/10/530857610.db2.gz YODXNQYVPYDRMB-JKSUJKDBSA-N 0 3 375.535 0.698 20 0 GCADHN CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)cc2C1 ZINC000656943134 530861476 /nfs/dbraw/zinc/86/14/76/530861476.db2.gz JVIXPBTTXFTUFM-HNNXBMFYSA-N 0 3 375.516 0.244 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC1 ZINC000656933963 530861771 /nfs/dbraw/zinc/86/17/71/530861771.db2.gz FBIZVSGKJSUPDZ-UHFFFAOYSA-N 0 3 384.564 0.354 20 0 GCADHN COc1nc(C)c(Br)cc1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000583213351 530865308 /nfs/dbraw/zinc/86/53/08/530865308.db2.gz DTILKYGELZHFLG-SNVBAGLBSA-N 0 3 387.278 0.957 20 0 GCADHN CCOC(=O)C1CCC(O)(CNCCS(=O)(=O)N2CCSCC2)CC1 ZINC000584406042 530869805 /nfs/dbraw/zinc/86/98/05/530869805.db2.gz PCRQLVWAIVEAKP-UHFFFAOYSA-N 0 3 394.559 0.439 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CCN(C)CCC[NH+](C)C)s1 ZINC000657092192 530873900 /nfs/dbraw/zinc/87/39/00/530873900.db2.gz GORHWBJZQNSMRP-UHFFFAOYSA-N 0 3 376.548 0.546 20 0 GCADHN CC(C)N(CCCNC(=O)CN[C@]1(C)CCO[C@H]1C1CC1)S(C)(=O)=O ZINC000378649370 530840325 /nfs/dbraw/zinc/84/03/25/530840325.db2.gz MAMZHTXYXIOZKZ-DLBZAZTESA-N 0 3 375.535 0.710 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)CCN2C1=O ZINC000582557349 530845368 /nfs/dbraw/zinc/84/53/68/530845368.db2.gz MLNQSWWFWBWLDF-ZYHUDNBSSA-N 0 3 396.241 0.604 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3cc(Br)c4c(c3)OCCO4)CCN2C1=O ZINC000582557346 530845424 /nfs/dbraw/zinc/84/54/24/530845424.db2.gz MLNQSWWFWBWLDF-PWSUYJOCSA-N 0 3 396.241 0.604 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Br ZINC000583823643 530898771 /nfs/dbraw/zinc/89/87/71/530898771.db2.gz CWPYVZVKFJTKLP-GWCFXTLKSA-N 0 3 388.287 0.690 20 0 GCADHN CCCN(C(=O)[C@@H](C)NCCC(C)(C)C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000506660593 530899844 /nfs/dbraw/zinc/89/98/44/530899844.db2.gz BVLFHHPYLPTSAS-ZIAGYGMSSA-N 0 3 376.519 0.980 20 0 GCADHN CN(CC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1)S(C)(=O)=O ZINC000670396676 530900065 /nfs/dbraw/zinc/90/00/65/530900065.db2.gz DHOJYBGTCBZLRS-OAHLLOKOSA-N 0 3 377.551 0.598 20 0 GCADHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000480718802 530901504 /nfs/dbraw/zinc/90/15/04/530901504.db2.gz FWPKEJHWDGPNSV-CYBMUJFWSA-N 0 3 377.532 0.946 20 0 GCADHN CCN(CC)C[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000480718803 530901668 /nfs/dbraw/zinc/90/16/68/530901668.db2.gz FWPKEJHWDGPNSV-ZDUSSCGKSA-N 0 3 377.532 0.946 20 0 GCADHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(I)c1 ZINC000123430669 530904452 /nfs/dbraw/zinc/90/44/52/530904452.db2.gz PWFQSPOWLXNCTE-LLVKDONJSA-N 0 3 391.209 0.268 20 0 GCADHN COCCN(CCN(C)C)C(=O)NCc1cc(S(C)(=O)=O)ccc1F ZINC000508090000 530910351 /nfs/dbraw/zinc/91/03/51/530910351.db2.gz VMANZYULUSXUFO-UHFFFAOYSA-N 0 3 375.466 0.949 20 0 GCADHN CS[C@H]1CN(c2ncc(Br)cc2S(N)(=O)=O)C[C@H]1N(C)C ZINC000503275523 530880549 /nfs/dbraw/zinc/88/05/49/530880549.db2.gz NLWBPFZOSYVMJL-ZJUUUORDSA-N 0 3 395.348 0.973 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCc1nc(C(N)=O)cs1 ZINC000657175150 530882870 /nfs/dbraw/zinc/88/28/70/530882870.db2.gz FGSFBNYJHKBQHW-UHFFFAOYSA-N 0 3 386.503 0.095 20 0 GCADHN O=C(NCCS(=O)(=O)NC1CC1)NCC1(N2CCSCC2)CCCC1 ZINC000504964592 530892120 /nfs/dbraw/zinc/89/21/20/530892120.db2.gz AMPQVSIAHAUMJL-UHFFFAOYSA-N 0 3 390.575 0.729 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000505503591 530893918 /nfs/dbraw/zinc/89/39/18/530893918.db2.gz SDCDNOGIUCWHQZ-ZBFHGGJFSA-N 0 3 377.576 0.992 20 0 GCADHN COc1ncc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c(C)c1Br ZINC000657519010 530896467 /nfs/dbraw/zinc/89/64/67/530896467.db2.gz WBGPQXLMJOQSJH-SECBINFHSA-N 0 3 389.250 0.138 20 0 GCADHN N[C@H](CNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccccc1 ZINC000418435723 530930019 /nfs/dbraw/zinc/93/00/19/530930019.db2.gz WQWPLVGHERMZKJ-ZIAGYGMSSA-N 0 3 383.495 0.882 20 0 GCADHN CC[C@H](C)[C@H](NC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)OC ZINC000510743714 530930337 /nfs/dbraw/zinc/93/03/37/530930337.db2.gz BIUUPBBVPIUSJG-XPCVCDNBSA-N 0 3 377.507 0.140 20 0 GCADHN COCCNCCNC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000418508813 530930421 /nfs/dbraw/zinc/93/04/21/530930421.db2.gz NFSDMYXRLLVZES-UHFFFAOYSA-N 0 3 382.412 0.625 20 0 GCADHN O=C(NC[C@@H](O)COc1ccccc1Br)NC[C@@H]1CNCCO1 ZINC000418757680 530934047 /nfs/dbraw/zinc/93/40/47/530934047.db2.gz DRRABLKBFXBXDV-NEPJUHHUSA-N 0 3 388.262 0.476 20 0 GCADHN CCS(=O)(=O)NCCNC[C@@H](O)COc1cccc(Br)c1 ZINC000390358597 530915533 /nfs/dbraw/zinc/91/55/33/530915533.db2.gz NNPHSEBOZVQLFS-GFCCVEGCSA-N 0 3 381.292 0.718 20 0 GCADHN CCS(=O)(=O)NCCNC[C@H](O)COc1cccc(Br)c1 ZINC000390358601 530915613 /nfs/dbraw/zinc/91/56/13/530915613.db2.gz NNPHSEBOZVQLFS-LBPRGKRZSA-N 0 3 381.292 0.718 20 0 GCADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)NCCC(=O)OC)CC1 ZINC000584493053 530916702 /nfs/dbraw/zinc/91/67/02/530916702.db2.gz DWBNMKZPLPDTHS-CYBMUJFWSA-N 0 3 377.507 0.048 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCCN1CCN(C)CC1 ZINC000125998294 530924274 /nfs/dbraw/zinc/92/42/74/530924274.db2.gz WGAZIPYCBAGGHJ-CQSZACIVSA-N 0 3 388.559 0.559 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)COc3ccc(Br)cc3F)CCN2C1=O ZINC000584851130 530925317 /nfs/dbraw/zinc/92/53/17/530925317.db2.gz SYJQGQPSALTNDH-ZYHUDNBSSA-N 0 3 386.221 0.737 20 0 GCADHN COC[C@@H](CC1CCOCC1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000657915771 530927750 /nfs/dbraw/zinc/92/77/50/530927750.db2.gz NUVROZNMKZLWBB-IAGOWNOFSA-N 0 3 378.535 0.896 20 0 GCADHN CN(CCN)C(=O)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000419360724 530957584 /nfs/dbraw/zinc/95/75/84/530957584.db2.gz NSHYXYMHPBGMNC-UHFFFAOYSA-N 0 3 385.262 0.102 20 0 GCADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000419256117 530957832 /nfs/dbraw/zinc/95/78/32/530957832.db2.gz WZNWQBXBQPYRTF-NSHDSACASA-N 0 3 388.287 0.492 20 0 GCADHN C[C@H](CN)NC(=O)C(=O)NCCCNC(=O)c1cccc(Br)c1 ZINC000419368465 530958212 /nfs/dbraw/zinc/95/82/12/530958212.db2.gz ZDXIXMSYOQTPCJ-SNVBAGLBSA-N 0 3 385.262 0.149 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000632112956 530959360 /nfs/dbraw/zinc/95/93/60/530959360.db2.gz NPACGJDBSFSSNR-UONOGXRCSA-N 0 3 379.473 0.990 20 0 GCADHN CN1CCC(CCO)(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000517237505 530959697 /nfs/dbraw/zinc/95/96/97/530959697.db2.gz IYDWXQUNGOOFEW-UHFFFAOYSA-N 0 3 389.905 0.581 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000517278789 530959873 /nfs/dbraw/zinc/95/98/73/530959873.db2.gz QDJAJOVSUGEPPZ-AWEZNQCLSA-N 0 3 392.591 0.785 20 0 GCADHN CC(C)[C@@H](N)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419571354 530959935 /nfs/dbraw/zinc/95/99/35/530959935.db2.gz OVTREWKGEJLROD-ZDUSSCGKSA-N 0 3 375.878 0.329 20 0 GCADHN NC[C@@H]1CCCCN1C(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419568798 530959972 /nfs/dbraw/zinc/95/99/72/530959972.db2.gz LCGDBTMJAXWZIE-ZDUSSCGKSA-N 0 3 387.889 0.570 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419642106 530960572 /nfs/dbraw/zinc/96/05/72/530960572.db2.gz IDWHZSFAJBJLCO-YPMHNXCESA-N 0 3 383.290 0.950 20 0 GCADHN O=C(NCc1cc(Br)cc2c1OCC2)C(=O)NC[C@@H]1CNCCO1 ZINC000419670465 530960862 /nfs/dbraw/zinc/96/08/62/530960862.db2.gz DEZCSKMRBSPQIS-ZDUSSCGKSA-N 0 3 398.257 0.105 20 0 GCADHN CO[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000632150601 530961397 /nfs/dbraw/zinc/96/13/97/530961397.db2.gz IFUHLWYWBWYFCA-HRCADAONSA-N 0 3 377.551 0.956 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000517460810 530961483 /nfs/dbraw/zinc/96/14/83/530961483.db2.gz XHBQAMRHCXLEPB-CYBMUJFWSA-N 0 3 375.516 0.557 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(Br)s1 ZINC000419710291 530961762 /nfs/dbraw/zinc/96/17/62/530961762.db2.gz NURBLQHREBKINP-IUCAKERBSA-N 0 3 376.276 0.792 20 0 GCADHN CC(C)NS(=O)(=O)NCCN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000429443395 530962234 /nfs/dbraw/zinc/96/22/34/530962234.db2.gz CTILDEDDNYXIIR-LBPRGKRZSA-N 0 3 378.520 0.541 20 0 GCADHN CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](C)C[NH3+] ZINC000521046261 530963766 /nfs/dbraw/zinc/96/37/66/530963766.db2.gz HMVXKOKUKGACSP-AAEUAGOBSA-N 0 3 377.507 0.937 20 0 GCADHN C[C@@H]1CN(CCCNS(=O)(=O)CCCN2CCN(C)CC2)CCCO1 ZINC000632278345 530964491 /nfs/dbraw/zinc/96/44/91/530964491.db2.gz OXLDILAYRFVZRA-QGZVFWFLSA-N 0 3 376.567 0.044 20 0 GCADHN C[NH2+]CCOCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000627030267 530964503 /nfs/dbraw/zinc/96/45/03/530964503.db2.gz HCMLMPVXJOEIRV-UHFFFAOYSA-N 0 3 396.872 0.293 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000420001942 530964604 /nfs/dbraw/zinc/96/46/04/530964604.db2.gz VWQRMARVJILKHE-OAHLLOKOSA-N 0 3 377.894 0.437 20 0 GCADHN COCCN(Cc1cc(Br)cs1)C(=O)C(=O)N[C@H](C)CN ZINC000420018083 530964615 /nfs/dbraw/zinc/96/46/15/530964615.db2.gz XFYUTQQCFMJWMF-SECBINFHSA-N 0 3 378.292 0.949 20 0 GCADHN C[C@H]1CN(CCCNS(=O)(=O)CCCN2CCN(C)CC2)CCCO1 ZINC000632278344 530964669 /nfs/dbraw/zinc/96/46/69/530964669.db2.gz OXLDILAYRFVZRA-KRWDZBQOSA-N 0 3 376.567 0.044 20 0 GCADHN CC(C)[C@@H](N)CNC(=O)C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000419971358 530964682 /nfs/dbraw/zinc/96/46/82/530964682.db2.gz GEDJKLOWFDBLNB-STQMWFEESA-N 0 3 387.889 0.726 20 0 GCADHN CN(Cc1ccccc1Br)C(=O)CCNC(=O)C(=O)N(C)CCN ZINC000418807153 530936209 /nfs/dbraw/zinc/93/62/09/530936209.db2.gz PLVZXBPWCJOGKH-UHFFFAOYSA-N 0 3 399.289 0.331 20 0 GCADHN NCCNC(=O)C(=O)NCc1cc(Br)ccc1Br ZINC000418811281 530936433 /nfs/dbraw/zinc/93/64/33/530936433.db2.gz VQUMQSZSHFBXJZ-UHFFFAOYSA-N 0 3 379.052 0.903 20 0 GCADHN Cc1nn(C)c(NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1Br ZINC000640170818 530937358 /nfs/dbraw/zinc/93/73/58/530937358.db2.gz PGYIWQFIIRPRRL-UHFFFAOYSA-N 0 3 389.298 0.975 20 0 GCADHN NCCNC(=O)C(=O)NCc1ccc(I)cc1Cl ZINC000418825293 530938051 /nfs/dbraw/zinc/93/80/51/530938051.db2.gz JNXCQJPHZHVPJM-UHFFFAOYSA-N 0 3 381.601 0.636 20 0 GCADHN Cc1cc(CNC(=O)C(=O)N(C)CCN)ccc1I ZINC000418836371 530939036 /nfs/dbraw/zinc/93/90/36/530939036.db2.gz UTSMHFFKNYCXIM-UHFFFAOYSA-N 0 3 375.210 0.633 20 0 GCADHN O=C(NCCNC(=O)c1ccc(Br)cc1)C(=O)N1CCCNCC1 ZINC000418840260 530939265 /nfs/dbraw/zinc/93/92/65/530939265.db2.gz BOYCKSRFAVFQBA-UHFFFAOYSA-N 0 3 397.273 0.117 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000420032446 530964856 /nfs/dbraw/zinc/96/48/56/530964856.db2.gz HZKHCYUUJIDDKT-QJPTWQEYSA-N 0 3 384.527 0.989 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1)C1CC1 ZINC000418842861 530940731 /nfs/dbraw/zinc/94/07/31/530940731.db2.gz HEDCOPQLHLAECV-ZDUSSCGKSA-N 0 3 397.273 0.149 20 0 GCADHN C[NH+](C)CC[C@](C)(O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000420036024 530964923 /nfs/dbraw/zinc/96/49/23/530964923.db2.gz IMWGNNRXTRLUAG-ZDUSSCGKSA-N 0 3 383.923 0.499 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000512425928 530942397 /nfs/dbraw/zinc/94/23/97/530942397.db2.gz DUPAQPJDZMYZQJ-HNNXBMFYSA-N 0 3 375.539 0.385 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420053329 530965021 /nfs/dbraw/zinc/96/50/21/530965021.db2.gz DJIKOQXOOIEDKC-ZDUSSCGKSA-N 0 3 397.273 0.666 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000418872084 530946989 /nfs/dbraw/zinc/94/69/89/530946989.db2.gz VXXYUDIDVVKEIX-VXGBXAGGSA-N 0 3 383.290 0.950 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000631794264 530948391 /nfs/dbraw/zinc/94/83/91/530948391.db2.gz LGUIDXDRSMQTAG-UHFFFAOYSA-N 0 3 375.457 0.855 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@@H]1COc2cc(F)c(Br)cc21)C1CC1 ZINC000418890589 530949363 /nfs/dbraw/zinc/94/93/63/530949363.db2.gz WHAIIASSIBKOMS-NWDGAFQWSA-N 0 3 386.221 0.991 20 0 GCADHN C[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000631973248 530965235 /nfs/dbraw/zinc/96/52/35/530965235.db2.gz LPIUPRCJWUDULQ-RKDXNWHRSA-N 0 3 397.316 0.963 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000631898350 530949961 /nfs/dbraw/zinc/94/99/61/530949961.db2.gz JDMPZLNNBRUACW-CQSZACIVSA-N 0 3 379.473 0.992 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000420026377 530965293 /nfs/dbraw/zinc/96/52/93/530965293.db2.gz JEHXAGHDGXWIPZ-ZANVPECISA-N 0 3 388.237 0.952 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000418942003 530951540 /nfs/dbraw/zinc/95/15/40/530951540.db2.gz LEPUCJJQTUWOBX-CQSZACIVSA-N 0 3 384.274 0.905 20 0 GCADHN NC[C@H]1CCCN1C(=O)C(=O)NCc1nc2c(cccc2Br)[nH]1 ZINC000418974312 530952421 /nfs/dbraw/zinc/95/24/21/530952421.db2.gz PIPPFVLHEWLCQZ-SECBINFHSA-N 0 3 380.246 0.891 20 0 GCADHN Cc1cc(Br)cn2cc(CCNC(=O)C(=O)N(C)[C@H](C)CN)nc12 ZINC000419042507 530953434 /nfs/dbraw/zinc/95/34/34/530953434.db2.gz LPGAFCDRFZGOTM-LLVKDONJSA-N 0 3 396.289 0.870 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000419038164 530953498 /nfs/dbraw/zinc/95/34/98/530953498.db2.gz IZURGWQGPDEOIF-UHFFFAOYSA-N 0 3 398.674 0.921 20 0 GCADHN CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1F ZINC000631970515 530954346 /nfs/dbraw/zinc/95/43/46/530954346.db2.gz ZJHGMYAJZBYEOH-QWRGUYRKSA-N 0 3 377.463 0.711 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000419161745 530955224 /nfs/dbraw/zinc/95/52/24/530955224.db2.gz SLASQPDQRLUWSK-SECBINFHSA-N 0 3 386.246 0.642 20 0 GCADHN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NCCN ZINC000419120140 530955539 /nfs/dbraw/zinc/95/55/39/530955539.db2.gz ZFQONELPNUGLPW-CQSZACIVSA-N 0 3 386.290 0.978 20 0 GCADHN COCCNCCNC(=O)C(=O)NCc1cc(F)ccc1Br ZINC000419162898 530955569 /nfs/dbraw/zinc/95/55/69/530955569.db2.gz VOPFRGBABQBMKN-UHFFFAOYSA-N 0 3 376.226 0.557 20 0 GCADHN NC[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1)C1CC1 ZINC000419187924 530957097 /nfs/dbraw/zinc/95/70/97/530957097.db2.gz NSWUJCSRYMYDGT-ZFWWWQNUSA-N 0 3 395.301 0.998 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000522188225 530974637 /nfs/dbraw/zinc/97/46/37/530974637.db2.gz OXYWCWPXUAYQTR-AWEZNQCLSA-N 0 3 388.559 0.559 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccccc2Cl)CC1=O ZINC000632725141 530979638 /nfs/dbraw/zinc/97/96/38/530979638.db2.gz DCEGOQAGONOGHG-ZDUSSCGKSA-N 0 3 389.905 0.797 20 0 GCADHN O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)N1CCCN(c2ccncc2)CC1 ZINC000632721893 530979763 /nfs/dbraw/zinc/97/97/63/530979763.db2.gz RCVUIVNLIOQFNT-HNNXBMFYSA-N 0 3 387.527 0.748 20 0 GCADHN COCc1c(Br)cccc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000523215617 530979851 /nfs/dbraw/zinc/97/98/51/530979851.db2.gz WSWYEKOGBQJMDH-SNVBAGLBSA-N 0 3 388.262 0.573 20 0 GCADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2sccc2OC)CC1=O ZINC000632727145 530980422 /nfs/dbraw/zinc/98/04/22/530980422.db2.gz UJJIXQMVTOVLPG-GFCCVEGCSA-N 0 3 391.515 0.214 20 0 GCADHN CNS(=O)(=O)CCCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000633473148 530983670 /nfs/dbraw/zinc/98/36/70/530983670.db2.gz RIENVMBUTQRAIT-UHFFFAOYSA-N 0 3 392.591 0.977 20 0 GCADHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Br ZINC000572061076 530984433 /nfs/dbraw/zinc/98/44/33/530984433.db2.gz XLGNFVMEQXSIHC-AAEUAGOBSA-N 0 3 397.273 0.911 20 0 GCADHN CN(CCc1ccc(Br)cc1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420209067 530966688 /nfs/dbraw/zinc/96/66/88/530966688.db2.gz ZBMFSFCRPRHUNN-CQSZACIVSA-N 0 3 384.274 0.555 20 0 GCADHN CN(Cc1ccc(F)cc1Br)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420212475 530966734 /nfs/dbraw/zinc/96/67/34/530966734.db2.gz XXXNAALDEOJGHZ-GFCCVEGCSA-N 0 3 388.237 0.651 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C[NH3+])C(C)(C)C)s1 ZINC000420453050 530968057 /nfs/dbraw/zinc/96/80/57/530968057.db2.gz UDAQFWIDYDFCAE-LBPRGKRZSA-N 0 3 397.588 0.882 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000420469254 530968655 /nfs/dbraw/zinc/96/86/55/530968655.db2.gz ITJMFKFMMAZODR-DZGCQCFKSA-N 0 3 393.506 0.164 20 0 GCADHN COC(=O)c1cc(Cl)cc(S(=O)(=O)NC[C@H]2CNCCO2)c1OC ZINC000420477940 530968670 /nfs/dbraw/zinc/96/86/70/530968670.db2.gz KIZTVHOMNYBWBM-SNVBAGLBSA-N 0 3 378.834 0.402 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](N(C)C)[C@@H]1C ZINC000632369871 530969031 /nfs/dbraw/zinc/96/90/31/530969031.db2.gz SCSCGAAVWDPSFN-STQMWFEESA-N 0 3 375.516 0.698 20 0 GCADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000632367987 530969061 /nfs/dbraw/zinc/96/90/61/530969061.db2.gz AOROAYWELWCPHL-CZUORRHYSA-N 0 3 387.527 0.940 20 0 GCADHN CCNS(=O)(=O)c1cccc(CNS(=O)(=O)CCCN2CCCC2)c1 ZINC000632437946 530970438 /nfs/dbraw/zinc/97/04/38/530970438.db2.gz MDUSHCNNDGRNBZ-UHFFFAOYSA-N 0 3 389.543 0.890 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(N(C)C[C@H]2CCCN2C)c(S(N)(=O)=O)c1 ZINC000420640225 530970553 /nfs/dbraw/zinc/97/05/53/530970553.db2.gz SSFLCUIELMGBCS-GFCCVEGCSA-N 0 3 390.531 0.115 20 0 GCADHN CO[C@@H](CC(C)C)CS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000420664816 530971332 /nfs/dbraw/zinc/97/13/32/530971332.db2.gz MSMULQALLSHMCA-INIZCTEOSA-N 0 3 375.535 0.617 20 0 GCADHN Cc1cc(N2CC[C@@H](NC(=O)[C@H]3C[C@H](O)CN3)C2=O)ccc1Br ZINC000522002460 530971824 /nfs/dbraw/zinc/97/18/24/530971824.db2.gz WHNCYCRRCZCXEB-IACUBPJLSA-N 0 3 382.258 0.702 20 0 GCADHN CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)[C@@H](CN)C1 ZINC000572348004 530991969 /nfs/dbraw/zinc/99/19/69/530991969.db2.gz XHLVRZBHQIGWRT-SOUVJXGZSA-N 0 3 395.301 0.523 20 0 GCADHN CC(C)([NH3+])C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000262042490 530992421 /nfs/dbraw/zinc/99/24/21/530992421.db2.gz LLANNTPMAGLPOR-UHFFFAOYSA-N 0 3 385.305 0.868 20 0 GCADHN CN(C)CCOC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000525086338 530992728 /nfs/dbraw/zinc/99/27/28/530992728.db2.gz KDIOYFANBGVHHX-UHFFFAOYSA-N 0 3 390.527 0.821 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c(OC)c1 ZINC000262105722 530993811 /nfs/dbraw/zinc/99/38/11/530993811.db2.gz FKIQHGFZOPSATP-UHFFFAOYSA-N 0 3 391.515 0.829 20 0 GCADHN COCCNCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000262150164 530994327 /nfs/dbraw/zinc/99/43/27/530994327.db2.gz RCWWSZWSWYCABX-UHFFFAOYSA-N 0 3 375.878 0.409 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C2(C[NH3+])CCCC2)s1 ZINC000262156253 530994657 /nfs/dbraw/zinc/99/46/57/530994657.db2.gz STKZBIDYOYIQJF-UHFFFAOYSA-N 0 3 395.572 0.780 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C[NH3+])CC(C)C)s1 ZINC000262147936 530994703 /nfs/dbraw/zinc/99/47/03/530994703.db2.gz QOPUFZVLPSNMHC-LBPRGKRZSA-N 0 3 397.588 0.882 20 0 GCADHN COC[C@]1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCC[NH2+]1 ZINC000262222112 530994993 /nfs/dbraw/zinc/99/49/93/530994993.db2.gz FTIVNPCJHVHHQN-CQSZACIVSA-N 0 3 395.478 0.244 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000262172526 530995072 /nfs/dbraw/zinc/99/50/72/530995072.db2.gz XPJMFIZJGBFDOW-LBPRGKRZSA-N 0 3 391.515 0.735 20 0 GCADHN CCN(CCO)CCNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000613585983 530995492 /nfs/dbraw/zinc/99/54/92/530995492.db2.gz JEQJUKMEMSVVDM-UHFFFAOYSA-N 0 3 383.250 0.469 20 0 GCADHN COCCNCCNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000262317219 530996673 /nfs/dbraw/zinc/99/66/73/530996673.db2.gz PWXXWSMURWLZDG-UHFFFAOYSA-N 0 3 380.264 0.062 20 0 GCADHN CS(=O)(=O)C1(C(=O)NCC2(N3CCSCC3)CCCC2)CCNCC1 ZINC000262392173 530996930 /nfs/dbraw/zinc/99/69/30/530996930.db2.gz OINIRVZQKGUONR-UHFFFAOYSA-N 0 3 389.587 0.631 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000262381354 530997338 /nfs/dbraw/zinc/99/73/38/530997338.db2.gz OMMNAUQDNQYAIN-NDMJEZRESA-N 0 3 377.463 0.555 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659910821 530998234 /nfs/dbraw/zinc/99/82/34/530998234.db2.gz UOQDDZWNEHTOES-WFASDCNBSA-N 0 3 384.527 0.995 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)Cc2c(F)cccc2F)C1 ZINC000161991547 530987647 /nfs/dbraw/zinc/98/76/47/530987647.db2.gz HRXCIXCQXGXRRA-GFCCVEGCSA-N 0 3 375.441 0.972 20 0 GCADHN C[C@@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000658391587 530989485 /nfs/dbraw/zinc/98/94/85/530989485.db2.gz QFQZPRBUZPFROX-JVLSTEMRSA-N 0 3 375.441 0.806 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC000660449159 531007285 /nfs/dbraw/zinc/00/72/85/531007285.db2.gz KFYBAWVXKLJNBK-ZQDZILKHSA-N 0 3 375.535 0.854 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CCSC1 ZINC000623708343 531009754 /nfs/dbraw/zinc/00/97/54/531009754.db2.gz FSDNBRGVQZHVPM-OAHLLOKOSA-N 0 3 376.548 0.243 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000422169064 531011173 /nfs/dbraw/zinc/01/11/73/531011173.db2.gz UINZODUEBNBUNL-GJZGRUSLSA-N 0 3 376.523 0.211 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cc(C(F)(F)F)ccc3F)CCN2C1=O ZINC000580452522 531011560 /nfs/dbraw/zinc/01/15/60/531011560.db2.gz XQCPZWPEHUMZSW-KOLCDFICSA-N 0 3 381.351 0.777 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCC[C@H](C)[C@H]1CCO)S(C)(=O)=O ZINC000661489232 531015667 /nfs/dbraw/zinc/01/56/67/531015667.db2.gz AEWURBZFITVLTQ-JKSUJKDBSA-N 0 3 377.551 0.646 20 0 GCADHN CN(CCN)C(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000423069818 531016584 /nfs/dbraw/zinc/01/65/84/531016584.db2.gz MHRJRYGBSFLVTL-UHFFFAOYSA-N 0 3 387.267 0.695 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000538672353 531034608 /nfs/dbraw/zinc/03/46/08/531034608.db2.gz LYILYQBDHPLMLH-UHFFFAOYSA-N 0 3 389.499 0.400 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H]1CNCCO1 ZINC000423991962 531019239 /nfs/dbraw/zinc/01/92/39/531019239.db2.gz NIEYVQQOKVELGF-BDAKNGLRSA-N 0 3 376.276 0.734 20 0 GCADHN CN(CC(=O)NC[C@H]1CNCCO1)C(=O)c1ccc(Br)s1 ZINC000423992600 531019519 /nfs/dbraw/zinc/01/95/19/531019519.db2.gz OXUMGPPGAIPNSB-SECBINFHSA-N 0 3 376.276 0.687 20 0 GCADHN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC[C@@H]1CNCCO1 ZINC000423991965 531019587 /nfs/dbraw/zinc/01/95/87/531019587.db2.gz NIEYVQQOKVELGF-IUCAKERBSA-N 0 3 376.276 0.734 20 0 GCADHN CN(C)C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000614565353 531020428 /nfs/dbraw/zinc/02/04/28/531020428.db2.gz SVCQOGBDEZTFLW-HIFRSBDPSA-N 0 3 388.921 0.974 20 0 GCADHN [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000662452796 531021378 /nfs/dbraw/zinc/02/13/78/531021378.db2.gz MANBWKWQGNFFCY-NWDGAFQWSA-N 0 3 381.376 0.830 20 0 GCADHN CC(C(=O)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1)S(C)(=O)=O ZINC000538024557 531029432 /nfs/dbraw/zinc/02/94/32/531029432.db2.gz ROJDNRBGQYHUEH-RBSFLKMASA-N 0 3 376.519 0.536 20 0 GCADHN COCCN(C(=O)NC[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000538074339 531030405 /nfs/dbraw/zinc/03/04/05/531030405.db2.gz CCNZLWHISAHPJY-CVEARBPZSA-N 0 3 375.535 0.954 20 0 GCADHN CC(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncc(Cl)s1 ZINC000663247910 531030841 /nfs/dbraw/zinc/03/08/41/531030841.db2.gz ZHXZTEZDBWVPAF-HTQZYQBOSA-N 0 3 386.904 0.604 20 0 GCADHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)NCCCN(C)S(C)(=O)=O ZINC000538380291 531032025 /nfs/dbraw/zinc/03/20/25/531032025.db2.gz LZBIGUCOKAKZHM-BBRMVZONSA-N 0 3 377.507 0.096 20 0 GCADHN CNS(=O)(=O)c1ccc(CS(=O)(=O)C(C)C(=O)NCCCOC)cc1 ZINC000663296239 531032043 /nfs/dbraw/zinc/03/20/43/531032043.db2.gz JVPMTZMVFLKFBN-GFCCVEGCSA-N 0 3 392.499 0.051 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000424215937 531032572 /nfs/dbraw/zinc/03/25/72/531032572.db2.gz IMQHZVLYRAYTIQ-CHWSQXEVSA-N 0 3 388.515 0.049 20 0 GCADHN NS(=O)(=O)c1cc(Br)cnc1NCCCN1CCC(O)CC1 ZINC000663402653 531033137 /nfs/dbraw/zinc/03/31/37/531033137.db2.gz OTISSOYLUXTMNO-UHFFFAOYSA-N 0 3 393.307 0.750 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC1 ZINC000659947616 530998971 /nfs/dbraw/zinc/99/89/71/530998971.db2.gz OPMPBNDWHUYOAH-IRXDYDNUSA-N 0 3 377.551 0.516 20 0 GCADHN 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CN(C)C[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000673524061 531118048 /nfs/dbraw/zinc/11/80/48/531118048.db2.gz NJWVHDYHNQWLEK-NSHDSACASA-N 0 3 393.556 0.138 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000673522915 531118077 /nfs/dbraw/zinc/11/80/77/531118077.db2.gz UDOWDIOTRGJOTA-NWDGAFQWSA-N 0 3 384.274 0.841 20 0 GCADHN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCCN1CCCO[C@H](C)C1 ZINC000432303878 531122851 /nfs/dbraw/zinc/12/28/51/531122851.db2.gz ZCQGNDZLOXQGDW-HUUCEWRRSA-N 0 3 377.507 0.349 20 0 GCADHN COC1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000674323573 531124913 /nfs/dbraw/zinc/12/49/13/531124913.db2.gz FMNQOYSGZULLNF-UHFFFAOYSA-N 0 3 395.934 0.907 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCN1CCC(OC)CC1 ZINC000674309722 531125155 /nfs/dbraw/zinc/12/51/55/531125155.db2.gz JYITZHLHJRPDBH-MRXNPFEDSA-N 0 3 375.535 0.808 20 0 GCADHN CS(=O)(=O)N1CC[C@H](CN[C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245552505 531128053 /nfs/dbraw/zinc/12/80/53/531128053.db2.gz PTBUTEDSUGOTRA-ZWNOBZJWSA-N 0 3 390.303 0.847 20 0 GCADHN CCS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000433341047 531128622 /nfs/dbraw/zinc/12/86/22/531128622.db2.gz DTHZPDPJFIRILZ-UHFFFAOYSA-N 0 3 375.516 0.308 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)s1 ZINC000433372408 531128954 /nfs/dbraw/zinc/12/89/54/531128954.db2.gz AJSWZVVVKCXAAU-JTQLQIEISA-N 0 3 384.487 0.102 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000433343100 531129129 /nfs/dbraw/zinc/12/91/29/531129129.db2.gz LSIWEEQGFMLUNX-UHFFFAOYSA-N 0 3 389.543 0.147 20 0 GCADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433460808 531130517 /nfs/dbraw/zinc/13/05/17/531130517.db2.gz BYVLBAHSWMQSNQ-LSDHHAIUSA-N 0 3 376.523 0.211 20 0 GCADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433460804 531130537 /nfs/dbraw/zinc/13/05/37/531130537.db2.gz BYVLBAHSWMQSNQ-GJZGRUSLSA-N 0 3 376.523 0.211 20 0 GCADHN CO[C@@H](CS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1)C(C)C ZINC000645758174 531135080 /nfs/dbraw/zinc/13/50/80/531135080.db2.gz MOZOZUBKSJYUBI-INIZCTEOSA-N 0 3 377.551 0.373 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000434413997 531135786 /nfs/dbraw/zinc/13/57/86/531135786.db2.gz BAFRDYYSRIIRFZ-CVEARBPZSA-N 0 3 375.535 0.544 20 0 GCADHN CCOCCCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000551231984 531135985 /nfs/dbraw/zinc/13/59/85/531135985.db2.gz WCKWUHKTFVWIBU-ZDUSSCGKSA-N 0 3 391.511 0.936 20 0 GCADHN Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1F ZINC000434717369 531136994 /nfs/dbraw/zinc/13/69/94/531136994.db2.gz IBHBEAZGRDNFBW-VIFPVBQESA-N 0 3 376.226 0.874 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)C[C@H]2CSCCN2)cc1 ZINC000434868051 531138524 /nfs/dbraw/zinc/13/85/24/531138524.db2.gz KCKYQRHBFYSADO-AWEZNQCLSA-N 0 3 387.527 0.323 20 0 GCADHN C[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C(=O)NCCN(C)C ZINC000552303718 531143495 /nfs/dbraw/zinc/14/34/95/531143495.db2.gz ZZIPXPIJPILIOS-SNVBAGLBSA-N 0 3 390.893 0.508 20 0 GCADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCCN(CC2CC2)C1 ZINC000660178470 531146086 /nfs/dbraw/zinc/14/60/86/531146086.db2.gz FOOJXZIXSAEJHS-HNNXBMFYSA-N 0 3 381.564 0.309 20 0 GCADHN CN(C)CCn1cc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)cn1 ZINC000630860850 531141492 /nfs/dbraw/zinc/14/14/92/531141492.db2.gz NWXNHFPHLVGKHQ-CQSZACIVSA-N 0 3 383.543 0.535 20 0 GCADHN NC(=O)[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1cccc(Br)c1 ZINC000677874270 531148587 /nfs/dbraw/zinc/14/85/87/531148587.db2.gz NJXPIAHHMVULQL-KBPBESRZSA-N 0 3 381.274 0.482 20 0 GCADHN O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H]1CN2CCN1CCC2 ZINC000677899334 531148345 /nfs/dbraw/zinc/14/83/45/531148345.db2.gz AJPVIPNUYMJHAN-LBPRGKRZSA-N 0 3 379.262 0.727 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)[C@H](C)C1 ZINC000553600103 531154397 /nfs/dbraw/zinc/15/43/97/531154397.db2.gz VHHUUSXDJBGVCT-UKRRQHHQSA-N 0 3 378.564 0.489 20 0 GCADHN CCS(=O)(=O)N1CC(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000439134706 531159202 /nfs/dbraw/zinc/15/92/02/531159202.db2.gz VWVOARWUPBZRSN-CYBMUJFWSA-N 0 3 389.543 0.869 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(NC2CCN(C)CC2)c(S(N)(=O)=O)c1 ZINC000439094993 531158663 /nfs/dbraw/zinc/15/86/63/531158663.db2.gz JUHUGBDEDZPDQD-UHFFFAOYSA-N 0 3 376.504 0.090 20 0 GCADHN CCOC(=O)[C@@H]1CSCN1S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000439198013 531160133 /nfs/dbraw/zinc/16/01/33/531160133.db2.gz KIKGTFFYAIYRFZ-ZDUSSCGKSA-N 0 3 390.531 0.688 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000680907288 531162862 /nfs/dbraw/zinc/16/28/62/531162862.db2.gz HVZYWQHYBIEHTD-NSHDSACASA-N 0 3 375.451 0.189 20 0 GCADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000682256458 531171347 /nfs/dbraw/zinc/17/13/47/531171347.db2.gz DIORCLLNBFUGSV-HZPDHXFCSA-N 0 3 387.527 0.888 20 0 GCADHN CS(=O)(=O)N1CCC[C@@H]1CN[C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000556120493 531172995 /nfs/dbraw/zinc/17/29/95/531172995.db2.gz REZGSRYRWCKLIS-CJNGLKHVSA-N 0 3 387.527 0.725 20 0 GCADHN CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000440808173 531177292 /nfs/dbraw/zinc/17/72/92/531177292.db2.gz LPGMKFIGTTZSFE-DOMZBBRYSA-N 0 3 396.481 0.764 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000440732067 531176133 /nfs/dbraw/zinc/17/61/33/531176133.db2.gz HEORLNLNJKLLQN-OLZOCXBDSA-N 0 3 375.516 0.603 20 0 GCADHN CO[C@@H]1CCN(S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)[C@@H](CN)C1 ZINC000440834503 531177433 /nfs/dbraw/zinc/17/74/33/531177433.db2.gz ADPCKPUHMSIVLZ-ZIAGYGMSSA-N 0 3 390.527 0.834 20 0 GCADHN CO[C@H]1CCN(S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)[C@H](CN)C1 ZINC000440834496 531177450 /nfs/dbraw/zinc/17/74/50/531177450.db2.gz ADPCKPUHMSIVLZ-KBPBESRZSA-N 0 3 390.527 0.834 20 0 GCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000441051305 531178899 /nfs/dbraw/zinc/17/88/99/531178899.db2.gz QKLHXBVAEJEMEI-ZWNOBZJWSA-N 0 3 399.289 0.885 20 0 GCADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000441031117 531178945 /nfs/dbraw/zinc/17/89/45/531178945.db2.gz IRQZWXWUHRDASL-ZWNOBZJWSA-N 0 3 399.289 0.885 20 0 GCADHN C[C@H]1CN(CCCNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CCCO1 ZINC000683378575 531179194 /nfs/dbraw/zinc/17/91/94/531179194.db2.gz OGQXDTKKJXWKDQ-LSDHHAIUSA-N 0 3 376.523 0.211 20 0 GCADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000441031108 531179322 /nfs/dbraw/zinc/17/93/22/531179322.db2.gz IRQZWXWUHRDASL-GWCFXTLKSA-N 0 3 399.289 0.885 20 0 GCADHN C[N@H+](CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000441178328 531179987 /nfs/dbraw/zinc/17/99/87/531179987.db2.gz JTFWQPUNVVWJDN-UHFFFAOYSA-N 0 3 376.429 0.637 20 0 GCADHN C[N@@H+](CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000441178328 531179990 /nfs/dbraw/zinc/17/99/90/531179990.db2.gz JTFWQPUNVVWJDN-UHFFFAOYSA-N 0 3 376.429 0.637 20 0 GCADHN N[C@H]1C[C@@H]2CN(Cc3nnnn3-c3ccccc3Br)CCN2C1=O ZINC000565237491 531182685 /nfs/dbraw/zinc/18/26/85/531182685.db2.gz CNNUCDAPAAAJSX-PWSUYJOCSA-N 0 3 392.261 0.169 20 0 GCADHN COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCN1CC[NH2+]CC1 ZINC000565244523 531183472 /nfs/dbraw/zinc/18/34/72/531183472.db2.gz GPKQVPDBOWVCAF-UHFFFAOYSA-N 0 3 396.282 0.780 20 0 GCADHN C[C@H](NC(=O)C(=O)NCCOCCN(C)C)c1ccc(Br)cn1 ZINC000565325086 531184146 /nfs/dbraw/zinc/18/41/46/531184146.db2.gz XJMLWBIKLUAJEU-NSHDSACASA-N 0 3 387.278 0.716 20 0 GCADHN C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000565775003 531189808 /nfs/dbraw/zinc/18/98/08/531189808.db2.gz BNCMNVCDOPDEOM-BDAKNGLRSA-N 0 3 396.922 0.038 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264561943 531190571 /nfs/dbraw/zinc/19/05/71/531190571.db2.gz FSRULSXWTKUJDJ-NSHDSACASA-N 0 3 385.262 0.798 20 0 GCADHN CSc1nnc(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)s1 ZINC000685421549 531190810 /nfs/dbraw/zinc/19/08/10/531190810.db2.gz JLUUOZUAFSJMMK-UHFFFAOYSA-N 0 3 378.483 0.620 20 0 GCADHN NS(=O)(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCS1(=O)=O)CCC2 ZINC000685649973 531191902 /nfs/dbraw/zinc/19/19/02/531191902.db2.gz HMSOALQOKJDWSL-INIZCTEOSA-N 0 3 387.527 0.727 20 0 GCADHN CN(Cc1csc(Br)c1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000566091867 531194116 /nfs/dbraw/zinc/19/41/16/531194116.db2.gz KECXJNKXSDTIDR-NSHDSACASA-N 0 3 389.319 0.570 20 0 GCADHN CCN1CCC(NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000048193951 531196380 /nfs/dbraw/zinc/19/63/80/531196380.db2.gz TYRGJMCBNQYSIB-UHFFFAOYSA-N 0 3 387.527 0.983 20 0 GCADHN CN(C)CCN1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000193044203 531196494 /nfs/dbraw/zinc/19/64/94/531196494.db2.gz PGNLLNVFLDLIOC-UHFFFAOYSA-N 0 3 397.317 0.885 20 0 GCADHN CS(=O)(=O)N1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000047009033 531196544 /nfs/dbraw/zinc/19/65/44/531196544.db2.gz FLNNFZPIQBPINJ-UHFFFAOYSA-N 0 3 390.575 0.635 20 0 GCADHN CN[C@@H](C)C(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000566472870 531197703 /nfs/dbraw/zinc/19/77/03/531197703.db2.gz AXFUHYBPVXIADN-GXSJLCMTSA-N 0 3 378.210 0.755 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000443203654 531198482 /nfs/dbraw/zinc/19/84/82/531198482.db2.gz MEQDPBVZOXCKLF-UHFFFAOYSA-N 0 3 375.516 0.700 20 0 GCADHN Cn1c2ccccc2n(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1=O ZINC000359963164 212129604 /nfs/dbraw/zinc/12/96/04/212129604.db2.gz XYAJCBQWZBQELY-QGZVFWFLSA-N 0 3 385.468 0.281 20 0 GCADHN COc1ccccc1COC[C@H](O)CN1CCC(O)(CN2CCOCC2)CC1 ZINC000359999261 212131385 /nfs/dbraw/zinc/13/13/85/212131385.db2.gz NPFRMUJBOBTPFP-LJQANCHMSA-N 0 3 394.512 0.732 20 0 GCADHN C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000359958119 212127763 /nfs/dbraw/zinc/12/77/63/212127763.db2.gz JFOJZWLSRUPQQR-ZWKOTPCHSA-N 0 3 381.542 0.845 20 0 GCADHN C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(NC(N)=O)cc1 ZINC000736132690 598837502 /nfs/dbraw/zinc/83/75/02/598837502.db2.gz CGFAIFHCHXKEPY-GHMZBOCLSA-N 0 3 382.432 0.946 20 0 GCADHN C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(NC(N)=O)cc1 ZINC000736132690 598837504 /nfs/dbraw/zinc/83/75/04/598837504.db2.gz CGFAIFHCHXKEPY-GHMZBOCLSA-N 0 3 382.432 0.946 20 0 GCADHN O=C(NCCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1cccs1 ZINC000738065317 598837885 /nfs/dbraw/zinc/83/78/85/598837885.db2.gz IQAYUNNAMBDACH-LLVKDONJSA-N 0 3 387.473 0.576 20 0 GCADHN O=C(NCCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1cccs1 ZINC000738065317 598837887 /nfs/dbraw/zinc/83/78/87/598837887.db2.gz IQAYUNNAMBDACH-LLVKDONJSA-N 0 3 387.473 0.576 20 0 GCADHN Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000737488907 598841896 /nfs/dbraw/zinc/84/18/96/598841896.db2.gz AKXWWXGJQWLFDI-HIFRSBDPSA-N 0 3 379.428 0.477 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763739 598897863 /nfs/dbraw/zinc/89/78/63/598897863.db2.gz GRYRANDRMXIEBT-GFCCVEGCSA-N 0 3 393.473 0.196 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763739 598897864 /nfs/dbraw/zinc/89/78/64/598897864.db2.gz GRYRANDRMXIEBT-GFCCVEGCSA-N 0 3 393.473 0.196 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763740 598898126 /nfs/dbraw/zinc/89/81/26/598898126.db2.gz GRYRANDRMXIEBT-LBPRGKRZSA-N 0 3 393.473 0.196 20 0 GCADHN NS(=O)(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763740 598898128 /nfs/dbraw/zinc/89/81/28/598898128.db2.gz GRYRANDRMXIEBT-LBPRGKRZSA-N 0 3 393.473 0.196 20 0 GCADHN CNC(=O)c1cccc(CC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736883724 599010847 /nfs/dbraw/zinc/01/08/47/599010847.db2.gz XVYDYIUGFWJZOF-ZDUSSCGKSA-N 0 3 381.444 0.297 20 0 GCADHN CNC(=O)c1cccc(CC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736883724 599010849 /nfs/dbraw/zinc/01/08/49/599010849.db2.gz XVYDYIUGFWJZOF-ZDUSSCGKSA-N 0 3 381.444 0.297 20 0 GCADHN O[C@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1c(F)cccc1F ZINC000738382478 599011402 /nfs/dbraw/zinc/01/14/02/599011402.db2.gz REPJRLMSECPAAJ-TVQRCGJNSA-N 0 3 376.371 0.706 20 0 GCADHN O[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1c(F)cccc1F ZINC000738382478 599011403 /nfs/dbraw/zinc/01/14/03/599011403.db2.gz REPJRLMSECPAAJ-TVQRCGJNSA-N 0 3 376.371 0.706 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000736184571 599034550 /nfs/dbraw/zinc/03/45/50/599034550.db2.gz LWWWRABUPYMMOJ-CVEARBPZSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000736184571 599034553 /nfs/dbraw/zinc/03/45/53/599034553.db2.gz LWWWRABUPYMMOJ-CVEARBPZSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000736184571 599034555 /nfs/dbraw/zinc/03/45/55/599034555.db2.gz LWWWRABUPYMMOJ-CVEARBPZSA-N 0 3 399.499 0.872 20 0 GCADHN C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000736184571 599034558 /nfs/dbraw/zinc/03/45/58/599034558.db2.gz LWWWRABUPYMMOJ-CVEARBPZSA-N 0 3 399.499 0.872 20 0 GCADHN CCC[N@H+](C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821088669 599093115 /nfs/dbraw/zinc/09/31/15/599093115.db2.gz RSGOGZCOSCBQME-GFCCVEGCSA-N 0 3 379.490 0.682 20 0 GCADHN CCC[N@@H+](C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821088669 599093118 /nfs/dbraw/zinc/09/31/18/599093118.db2.gz RSGOGZCOSCBQME-GFCCVEGCSA-N 0 3 379.490 0.682 20 0 GCADHN CCC[N@H+](C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821088669 599093121 /nfs/dbraw/zinc/09/31/21/599093121.db2.gz RSGOGZCOSCBQME-GFCCVEGCSA-N 0 3 379.490 0.682 20 0 GCADHN CCC[N@@H+](C)C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821088669 599093124 /nfs/dbraw/zinc/09/31/24/599093124.db2.gz RSGOGZCOSCBQME-GFCCVEGCSA-N 0 3 379.490 0.682 20 0 GCADHN O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737839446 599145691 /nfs/dbraw/zinc/14/56/91/599145691.db2.gz SJEYXZVWPUJHCB-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737839446 599145692 /nfs/dbraw/zinc/14/56/92/599145692.db2.gz SJEYXZVWPUJHCB-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737839446 599145693 /nfs/dbraw/zinc/14/56/93/599145693.db2.gz SJEYXZVWPUJHCB-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737839446 599145694 /nfs/dbraw/zinc/14/56/94/599145694.db2.gz SJEYXZVWPUJHCB-OAHLLOKOSA-N 0 3 385.472 0.849 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000738388984 599146504 /nfs/dbraw/zinc/14/65/04/599146504.db2.gz UVTKAFKNVUNYMZ-WBVHZDCISA-N 0 3 388.472 0.261 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000738388984 599146505 /nfs/dbraw/zinc/14/65/05/599146505.db2.gz UVTKAFKNVUNYMZ-WBVHZDCISA-N 0 3 388.472 0.261 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000738388982 599146557 /nfs/dbraw/zinc/14/65/57/599146557.db2.gz UVTKAFKNVUNYMZ-RDJZCZTQSA-N 0 3 388.472 0.261 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000738388982 599146558 /nfs/dbraw/zinc/14/65/58/599146558.db2.gz UVTKAFKNVUNYMZ-RDJZCZTQSA-N 0 3 388.472 0.261 20 0 GCADHN C[NH+](C)C[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCO1 ZINC000736758299 599201867 /nfs/dbraw/zinc/20/18/67/599201867.db2.gz FHDQKQJFGYWCBS-AWEZNQCLSA-N 0 3 397.443 0.037 20 0 GCADHN C[NH+](C)CCNC(=S)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821587302 599228890 /nfs/dbraw/zinc/22/88/90/599228890.db2.gz QBZAOIXJAJWECK-UHFFFAOYSA-N 0 3 390.517 0.676 20 0 GCADHN c1ncn(-c2cccc(C[NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)c2)n1 ZINC000738410816 599277767 /nfs/dbraw/zinc/27/77/67/599277767.db2.gz QFQSBOIBVYDOMU-CYBMUJFWSA-N 0 3 377.416 0.475 20 0 GCADHN c1ncn(-c2cccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)c2)n1 ZINC000738410816 599277769 /nfs/dbraw/zinc/27/77/69/599277769.db2.gz QFQSBOIBVYDOMU-CYBMUJFWSA-N 0 3 377.416 0.475 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F ZINC000736860482 599283483 /nfs/dbraw/zinc/28/34/83/599283483.db2.gz REIBTESCUPIQSF-SNVBAGLBSA-N 0 3 395.370 0.617 20 0 GCADHN O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823319741 607341225 /nfs/dbraw/zinc/34/12/25/607341225.db2.gz YEEAQTCNCLOWLS-LBPRGKRZSA-N 0 3 387.419 0.889 20 0 GCADHN O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823319741 607341227 /nfs/dbraw/zinc/34/12/27/607341227.db2.gz YEEAQTCNCLOWLS-LBPRGKRZSA-N 0 3 387.419 0.889 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821351132 607343139 /nfs/dbraw/zinc/34/31/39/607343139.db2.gz LOCHDVKRMDIUPF-LBPRGKRZSA-N 0 3 393.423 0.417 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821351132 607343141 /nfs/dbraw/zinc/34/31/41/607343141.db2.gz LOCHDVKRMDIUPF-LBPRGKRZSA-N 0 3 393.423 0.417 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737168826 598250007 /nfs/dbraw/zinc/25/00/07/598250007.db2.gz LFRLZJYWHINPIF-CYBMUJFWSA-N 0 3 389.485 0.881 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737168826 598250009 /nfs/dbraw/zinc/25/00/09/598250009.db2.gz LFRLZJYWHINPIF-CYBMUJFWSA-N 0 3 389.485 0.881 20 0 GCADHN CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736530202 598254312 /nfs/dbraw/zinc/25/43/12/598254312.db2.gz GIBSCTHKCSJNTD-UHFFFAOYSA-N 0 3 383.478 0.241 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736573148 598257629 /nfs/dbraw/zinc/25/76/29/598257629.db2.gz XOCRNFXDYHVNOO-AWEZNQCLSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736573148 598257630 /nfs/dbraw/zinc/25/76/30/598257630.db2.gz XOCRNFXDYHVNOO-AWEZNQCLSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736573148 598257631 /nfs/dbraw/zinc/25/76/31/598257631.db2.gz XOCRNFXDYHVNOO-AWEZNQCLSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736573148 598257632 /nfs/dbraw/zinc/25/76/32/598257632.db2.gz XOCRNFXDYHVNOO-AWEZNQCLSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736573150 598257794 /nfs/dbraw/zinc/25/77/94/598257794.db2.gz XOCRNFXDYHVNOO-CQSZACIVSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736573150 598257795 /nfs/dbraw/zinc/25/77/95/598257795.db2.gz XOCRNFXDYHVNOO-CQSZACIVSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736573150 598257798 /nfs/dbraw/zinc/25/77/98/598257798.db2.gz XOCRNFXDYHVNOO-CQSZACIVSA-N 0 3 381.444 0.849 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736573150 598257799 /nfs/dbraw/zinc/25/77/99/598257799.db2.gz XOCRNFXDYHVNOO-CQSZACIVSA-N 0 3 381.444 0.849 20 0 GCADHN C[NH+](C)[C@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CC1 ZINC000736758808 598258615 /nfs/dbraw/zinc/25/86/15/598258615.db2.gz INHUAUMGLOTTHE-OAHLLOKOSA-N 0 3 381.444 0.705 20 0 GCADHN C[NH+](C)[C@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CC1 ZINC000736758808 598258617 /nfs/dbraw/zinc/25/86/17/598258617.db2.gz INHUAUMGLOTTHE-OAHLLOKOSA-N 0 3 381.444 0.705 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736844482 598259387 /nfs/dbraw/zinc/25/93/87/598259387.db2.gz BTHREACCEGTXNY-HNNXBMFYSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736844482 598259388 /nfs/dbraw/zinc/25/93/88/598259388.db2.gz BTHREACCEGTXNY-HNNXBMFYSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736844482 598259391 /nfs/dbraw/zinc/25/93/91/598259391.db2.gz BTHREACCEGTXNY-HNNXBMFYSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736844482 598259393 /nfs/dbraw/zinc/25/93/93/598259393.db2.gz BTHREACCEGTXNY-HNNXBMFYSA-N 0 3 383.456 0.996 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[N@H+](C)C1CC1 ZINC000736016976 598270833 /nfs/dbraw/zinc/27/08/33/598270833.db2.gz GNEYDRCOKMLWCS-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[N@@H+](C)C1CC1 ZINC000736016976 598270835 /nfs/dbraw/zinc/27/08/35/598270835.db2.gz GNEYDRCOKMLWCS-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[N@H+](C)C1CC1 ZINC000736016976 598270837 /nfs/dbraw/zinc/27/08/37/598270837.db2.gz GNEYDRCOKMLWCS-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[N@@H+](C)C1CC1 ZINC000736016976 598270839 /nfs/dbraw/zinc/27/08/39/598270839.db2.gz GNEYDRCOKMLWCS-ZDUSSCGKSA-N 0 3 385.476 0.576 20 0 GCADHN CN1CCC[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC000736858175 598301368 /nfs/dbraw/zinc/30/13/68/598301368.db2.gz QSELXQHXTUQZGD-CQSZACIVSA-N 0 3 388.451 0.932 20 0 GCADHN CN1CCC[C@H](NC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC000736858174 598301913 /nfs/dbraw/zinc/30/19/13/598301913.db2.gz QSELXQHXTUQZGD-AWEZNQCLSA-N 0 3 388.451 0.932 20 0 GCADHN COCCN1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000737006092 598344058 /nfs/dbraw/zinc/34/40/58/598344058.db2.gz VRODYDRXOKQISC-GDBMZVCRSA-N 0 3 376.461 0.259 20 0 GCADHN CCOCCN1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000736618725 598345470 /nfs/dbraw/zinc/34/54/70/598345470.db2.gz LXERZHCNTVOUFG-WBVHZDCISA-N 0 3 390.488 0.649 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736143915 598348361 /nfs/dbraw/zinc/34/83/61/598348361.db2.gz MFPQNMBLENRBFO-CQSZACIVSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736143915 598348363 /nfs/dbraw/zinc/34/83/63/598348363.db2.gz MFPQNMBLENRBFO-CQSZACIVSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736143915 598348365 /nfs/dbraw/zinc/34/83/65/598348365.db2.gz MFPQNMBLENRBFO-CQSZACIVSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736143915 598348366 /nfs/dbraw/zinc/34/83/66/598348366.db2.gz MFPQNMBLENRBFO-CQSZACIVSA-N 0 3 387.488 0.260 20 0 GCADHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736705112 598349162 /nfs/dbraw/zinc/34/91/62/598349162.db2.gz FMEQNUUNVUNNRH-FZMZJTMJSA-N 0 3 381.444 0.952 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736146140 598349377 /nfs/dbraw/zinc/34/93/77/598349377.db2.gz XLNFCMWQMMGFGI-ZIAGYGMSSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736146140 598349379 /nfs/dbraw/zinc/34/93/79/598349379.db2.gz XLNFCMWQMMGFGI-ZIAGYGMSSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@H+](C)C1CCN([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736146140 598349381 /nfs/dbraw/zinc/34/93/81/598349381.db2.gz XLNFCMWQMMGFGI-ZIAGYGMSSA-N 0 3 387.488 0.971 20 0 GCADHN C[C@@H](O)C[N@@H+](C)C1CCN([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736146140 598349383 /nfs/dbraw/zinc/34/93/83/598349383.db2.gz XLNFCMWQMMGFGI-ZIAGYGMSSA-N 0 3 387.488 0.971 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736860241 598351025 /nfs/dbraw/zinc/35/10/25/598351025.db2.gz MWEITTJBEMXXRQ-CVEARBPZSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736860241 598351027 /nfs/dbraw/zinc/35/10/27/598351027.db2.gz MWEITTJBEMXXRQ-CVEARBPZSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736860241 598351028 /nfs/dbraw/zinc/35/10/28/598351028.db2.gz MWEITTJBEMXXRQ-CVEARBPZSA-N 0 3 383.456 0.682 20 0 GCADHN C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736860241 598351030 /nfs/dbraw/zinc/35/10/30/598351030.db2.gz MWEITTJBEMXXRQ-CVEARBPZSA-N 0 3 383.456 0.682 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000738387214 598352272 /nfs/dbraw/zinc/35/22/72/598352272.db2.gz OERUARYHYKZUOA-HOCLYGCPSA-N 0 3 384.444 0.610 20 0 GCADHN O[C@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000738387214 598352274 /nfs/dbraw/zinc/35/22/74/598352274.db2.gz OERUARYHYKZUOA-HOCLYGCPSA-N 0 3 384.444 0.610 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000738387213 598352386 /nfs/dbraw/zinc/35/23/86/598352386.db2.gz OERUARYHYKZUOA-GOEBONIOSA-N 0 3 384.444 0.610 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000738387213 598352388 /nfs/dbraw/zinc/35/23/88/598352388.db2.gz OERUARYHYKZUOA-GOEBONIOSA-N 0 3 384.444 0.610 20 0 GCADHN CCOC[C@@H](O)CN1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736610966 598353256 /nfs/dbraw/zinc/35/32/56/598353256.db2.gz ZZFMLEWYRVGMAX-KRWDZBQOSA-N 0 3 390.488 0.651 20 0 GCADHN CN1CCN(C[C@@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)CCO2)CC1 ZINC000736863577 598353359 /nfs/dbraw/zinc/35/33/59/598353359.db2.gz LYJADFSHMUCOPS-MRXNPFEDSA-N 0 3 375.452 0.454 20 0 GCADHN C[N@H+](CCO)C1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736801871 598366381 /nfs/dbraw/zinc/36/63/81/598366381.db2.gz MJZFNWQAYBSGIN-KRWDZBQOSA-N 0 3 385.472 0.361 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736801871 598366384 /nfs/dbraw/zinc/36/63/84/598366384.db2.gz MJZFNWQAYBSGIN-KRWDZBQOSA-N 0 3 385.472 0.361 20 0 GCADHN C[N@H+](CCO)C1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736801871 598366386 /nfs/dbraw/zinc/36/63/86/598366386.db2.gz MJZFNWQAYBSGIN-KRWDZBQOSA-N 0 3 385.472 0.361 20 0 GCADHN C[N@@H+](CCO)C1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736801871 598366388 /nfs/dbraw/zinc/36/63/88/598366388.db2.gz MJZFNWQAYBSGIN-KRWDZBQOSA-N 0 3 385.472 0.361 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737745445 598374440 /nfs/dbraw/zinc/37/44/40/598374440.db2.gz NWVAMGKDQJNNJZ-CDNLZTBQSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737745445 598374442 /nfs/dbraw/zinc/37/44/42/598374442.db2.gz NWVAMGKDQJNNJZ-CDNLZTBQSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737745445 598374444 /nfs/dbraw/zinc/37/44/44/598374444.db2.gz NWVAMGKDQJNNJZ-CDNLZTBQSA-N 0 3 383.456 0.584 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737745445 598374446 /nfs/dbraw/zinc/37/44/46/598374446.db2.gz NWVAMGKDQJNNJZ-CDNLZTBQSA-N 0 3 383.456 0.584 20 0 GCADHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736264217 598404412 /nfs/dbraw/zinc/40/44/12/598404412.db2.gz CIWWCANYBIBCNH-UONOGXRCSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736264217 598404414 /nfs/dbraw/zinc/40/44/14/598404414.db2.gz CIWWCANYBIBCNH-UONOGXRCSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736264217 598404416 /nfs/dbraw/zinc/40/44/16/598404416.db2.gz CIWWCANYBIBCNH-UONOGXRCSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736264217 598404418 /nfs/dbraw/zinc/40/44/18/598404418.db2.gz CIWWCANYBIBCNH-UONOGXRCSA-N 0 3 385.472 0.833 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735881065 598405998 /nfs/dbraw/zinc/40/59/98/598405998.db2.gz GIHCTXCKCZCAIT-AWEZNQCLSA-N 0 3 385.472 0.833 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735881065 598405999 /nfs/dbraw/zinc/40/59/99/598405999.db2.gz GIHCTXCKCZCAIT-AWEZNQCLSA-N 0 3 385.472 0.833 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735881065 598406002 /nfs/dbraw/zinc/40/60/02/598406002.db2.gz GIHCTXCKCZCAIT-AWEZNQCLSA-N 0 3 385.472 0.833 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735881065 598406004 /nfs/dbraw/zinc/40/60/04/598406004.db2.gz GIHCTXCKCZCAIT-AWEZNQCLSA-N 0 3 385.472 0.833 20 0 GCADHN C[NH+](C)CC(C)(C)CNC(=S)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736764947 598416815 /nfs/dbraw/zinc/41/68/15/598416815.db2.gz SCGRKUKRLWOLDN-UHFFFAOYSA-N 0 3 377.522 0.726 20 0 GCADHN C[NH+](C)CC(C)(C)CNC(=S)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736764947 598416816 /nfs/dbraw/zinc/41/68/16/598416816.db2.gz SCGRKUKRLWOLDN-UHFFFAOYSA-N 0 3 377.522 0.726 20 0 GCADHN CC(C)CN1CCO[C@H](C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000735835530 598518304 /nfs/dbraw/zinc/51/83/04/598518304.db2.gz JRKZAJUOMKBVMF-ZIAGYGMSSA-N 0 3 375.481 0.051 20 0 GCADHN CC(C)CN1CCO[C@H](C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000735835530 598518305 /nfs/dbraw/zinc/51/83/05/598518305.db2.gz JRKZAJUOMKBVMF-ZIAGYGMSSA-N 0 3 375.481 0.051 20 0 GCADHN c1ncn(Cc2ccc(C[NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2)n1 ZINC000738450754 598521402 /nfs/dbraw/zinc/52/14/02/598521402.db2.gz WUIWGLYSDICXCB-OAHLLOKOSA-N 0 3 391.443 0.535 20 0 GCADHN c1ncn(Cc2ccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2)n1 ZINC000738450754 598521405 /nfs/dbraw/zinc/52/14/05/598521405.db2.gz WUIWGLYSDICXCB-OAHLLOKOSA-N 0 3 391.443 0.535 20 0 GCADHN COCCOc1ncccc1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737014399 598523208 /nfs/dbraw/zinc/52/32/08/598523208.db2.gz OTBZXWDZICAFGL-GFCCVEGCSA-N 0 3 385.432 0.315 20 0 GCADHN COCCOc1ncccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737014399 598523210 /nfs/dbraw/zinc/52/32/10/598523210.db2.gz OTBZXWDZICAFGL-GFCCVEGCSA-N 0 3 385.432 0.315 20 0 GCADHN CN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736827662 598523393 /nfs/dbraw/zinc/52/33/93/598523393.db2.gz FZYWSQICUVTHTR-CQSZACIVSA-N 0 3 381.444 0.353 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]C1CCN(Cc3ccccn3)CC1)C2 ZINC000738432759 598523876 /nfs/dbraw/zinc/52/38/76/598523876.db2.gz LLESMLAABPLGSX-CQSZACIVSA-N 0 3 394.487 0.754 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]C1CCN(Cc3ccccn3)CC1)C2 ZINC000738432759 598523877 /nfs/dbraw/zinc/52/38/77/598523877.db2.gz LLESMLAABPLGSX-CQSZACIVSA-N 0 3 394.487 0.754 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]C1CCN(c3ccccn3)CC1)C2 ZINC000738436511 598523924 /nfs/dbraw/zinc/52/39/24/598523924.db2.gz SDNUCRGJUYVKME-CYBMUJFWSA-N 0 3 380.460 0.759 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]C1CCN(c3ccccn3)CC1)C2 ZINC000738436511 598523926 /nfs/dbraw/zinc/52/39/26/598523926.db2.gz SDNUCRGJUYVKME-CYBMUJFWSA-N 0 3 380.460 0.759 20 0 GCADHN FC(F)(F)CN1CC[C@@H](C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737627746 598523984 /nfs/dbraw/zinc/52/39/84/598523984.db2.gz PMJKIADZUJXKNM-QWRGUYRKSA-N 0 3 385.398 0.579 20 0 GCADHN FC(F)(F)CN1CC[C@@H](C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737627746 598523986 /nfs/dbraw/zinc/52/39/86/598523986.db2.gz PMJKIADZUJXKNM-QWRGUYRKSA-N 0 3 385.398 0.579 20 0 GCADHN O=C1OCCN1c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000738319426 598525090 /nfs/dbraw/zinc/52/50/90/598525090.db2.gz PVTGHYDIWMYKBN-ZDUSSCGKSA-N 0 3 395.427 0.851 20 0 GCADHN O=C1OCCN1c1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000738319426 598525092 /nfs/dbraw/zinc/52/50/92/598525092.db2.gz PVTGHYDIWMYKBN-ZDUSSCGKSA-N 0 3 395.427 0.851 20 0 GCADHN COc1cccc(C(=O)NCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737120850 598526102 /nfs/dbraw/zinc/52/61/02/598526102.db2.gz HRHIGWKZPCUWPO-GFCCVEGCSA-N 0 3 397.443 0.133 20 0 GCADHN COc1cccc(C(=O)NCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737120850 598526104 /nfs/dbraw/zinc/52/61/04/598526104.db2.gz HRHIGWKZPCUWPO-GFCCVEGCSA-N 0 3 397.443 0.133 20 0 GCADHN C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc2c(c1)CC(=O)N2C ZINC000736137533 598529088 /nfs/dbraw/zinc/52/90/88/598529088.db2.gz XNLUWKWNMTYNAK-VXGBXAGGSA-N 0 3 393.455 0.975 20 0 GCADHN C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc2c(c1)CC(=O)N2C ZINC000736137533 598529091 /nfs/dbraw/zinc/52/90/91/598529091.db2.gz XNLUWKWNMTYNAK-VXGBXAGGSA-N 0 3 393.455 0.975 20 0 GCADHN COc1cccc2c1OC[C@@H]([NH2+]C[C@H]1CNc3c(-c4nnn[n-]4)cnn3C1)C2 ZINC000737142723 598529638 /nfs/dbraw/zinc/52/96/38/598529638.db2.gz MGFZSEYACZRJGJ-AAEUAGOBSA-N 0 3 382.428 0.707 20 0 GCADHN COc1cccc2c1OC[C@@H]([NH2+]C[C@H]1CNc3c(-c4nn[n-]n4)cnn3C1)C2 ZINC000737142723 598529640 /nfs/dbraw/zinc/52/96/40/598529640.db2.gz MGFZSEYACZRJGJ-AAEUAGOBSA-N 0 3 382.428 0.707 20 0 GCADHN COC1CCN(C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736962764 598532156 /nfs/dbraw/zinc/53/21/56/598532156.db2.gz REQGVKBTASGBOW-CYBMUJFWSA-N 0 3 389.508 0.584 20 0 GCADHN COC1CCN(C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736962764 598532157 /nfs/dbraw/zinc/53/21/57/598532157.db2.gz REQGVKBTASGBOW-CYBMUJFWSA-N 0 3 389.508 0.584 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737743662 598556396 /nfs/dbraw/zinc/55/63/96/598556396.db2.gz ILKVOQZTCTXEPT-MRXNPFEDSA-N 0 3 385.472 0.503 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737743662 598556398 /nfs/dbraw/zinc/55/63/98/598556398.db2.gz ILKVOQZTCTXEPT-MRXNPFEDSA-N 0 3 385.472 0.503 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737743662 598556399 /nfs/dbraw/zinc/55/63/99/598556399.db2.gz ILKVOQZTCTXEPT-MRXNPFEDSA-N 0 3 385.472 0.503 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737743662 598556401 /nfs/dbraw/zinc/55/64/01/598556401.db2.gz ILKVOQZTCTXEPT-MRXNPFEDSA-N 0 3 385.472 0.503 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736748928 598569551 /nfs/dbraw/zinc/56/95/51/598569551.db2.gz ZQCFEYTWPUXWEZ-BQYQJAHWSA-N 0 3 397.483 0.939 20 0 GCADHN CN(C)C(=O)CC[NH+]1CCC(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736748928 598569553 /nfs/dbraw/zinc/56/95/53/598569553.db2.gz ZQCFEYTWPUXWEZ-BQYQJAHWSA-N 0 3 397.483 0.939 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736859096 598618260 /nfs/dbraw/zinc/61/82/60/598618260.db2.gz DRHXTJOYNXHKRQ-GOSISDBHSA-N 0 3 398.515 0.907 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736859096 598618261 /nfs/dbraw/zinc/61/82/61/598618261.db2.gz DRHXTJOYNXHKRQ-GOSISDBHSA-N 0 3 398.515 0.907 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736859096 598618263 /nfs/dbraw/zinc/61/82/63/598618263.db2.gz DRHXTJOYNXHKRQ-GOSISDBHSA-N 0 3 398.515 0.907 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736859096 598618265 /nfs/dbraw/zinc/61/82/65/598618265.db2.gz DRHXTJOYNXHKRQ-GOSISDBHSA-N 0 3 398.515 0.907 20 0 GCADHN C[NH+]1CCC(CCNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC1 ZINC000736850052 598727274 /nfs/dbraw/zinc/72/72/74/598727274.db2.gz YNPCEPJHYZIXQD-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN C[NH+]1CCC(CCNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC1 ZINC000736850052 598727275 /nfs/dbraw/zinc/72/72/75/598727275.db2.gz YNPCEPJHYZIXQD-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN C[NH+]1CCC(CCNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC1 ZINC000736847678 598727348 /nfs/dbraw/zinc/72/73/48/598727348.db2.gz IVYGWTKGPYZYQP-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN C[NH+]1CCC(CCNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC1 ZINC000736847678 598727350 /nfs/dbraw/zinc/72/73/50/598727350.db2.gz IVYGWTKGPYZYQP-UHFFFAOYSA-N 0 3 399.503 0.825 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736861093 598758951 /nfs/dbraw/zinc/75/89/51/598758951.db2.gz YIUWNCVHPDUFQJ-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736861093 598758952 /nfs/dbraw/zinc/75/89/52/598758952.db2.gz YIUWNCVHPDUFQJ-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736861093 598758953 /nfs/dbraw/zinc/75/89/53/598758953.db2.gz YIUWNCVHPDUFQJ-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736861093 598758954 /nfs/dbraw/zinc/75/89/54/598758954.db2.gz YIUWNCVHPDUFQJ-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN O=C(CCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737843283 598781739 /nfs/dbraw/zinc/78/17/39/598781739.db2.gz KBGOFDRSQPWKHT-KBPBESRZSA-N 0 3 391.501 0.788 20 0 GCADHN C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736130630 598787110 /nfs/dbraw/zinc/78/71/10/598787110.db2.gz HUVQWGIPBWHCPP-UWVGGRQHSA-N 0 3 399.484 0.940 20 0 GCADHN CN(CC[NH+]1CCCC1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736799259 598801684 /nfs/dbraw/zinc/80/16/84/598801684.db2.gz PZIDMLWWOAKSIG-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000736281485 599297688 /nfs/dbraw/zinc/29/76/88/599297688.db2.gz SJHUPMDNUYNAGN-RNCFNFMXSA-N 0 3 377.836 0.867 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000736281485 599297690 /nfs/dbraw/zinc/29/76/90/599297690.db2.gz SJHUPMDNUYNAGN-RNCFNFMXSA-N 0 3 377.836 0.867 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000736281487 599298439 /nfs/dbraw/zinc/29/84/39/599298439.db2.gz SJHUPMDNUYNAGN-ZANVPECISA-N 0 3 377.836 0.867 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000736281487 599298441 /nfs/dbraw/zinc/29/84/41/599298441.db2.gz SJHUPMDNUYNAGN-ZANVPECISA-N 0 3 377.836 0.867 20 0 GCADHN NC(=O)c1cc([C@H]2CCC[N@H+](CCOc3ccccc3-c3nnn[n-]3)C2)n[nH]1 ZINC000737756576 599316883 /nfs/dbraw/zinc/31/68/83/599316883.db2.gz XECLMNGECROHKW-LBPRGKRZSA-N 0 3 382.428 0.947 20 0 GCADHN NC(=O)c1cc([C@H]2CCC[N@@H+](CCOc3ccccc3-c3nnn[n-]3)C2)n[nH]1 ZINC000737756576 599316886 /nfs/dbraw/zinc/31/68/86/599316886.db2.gz XECLMNGECROHKW-LBPRGKRZSA-N 0 3 382.428 0.947 20 0 GCADHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000737022970 599346652 /nfs/dbraw/zinc/34/66/52/599346652.db2.gz GTJFGOQUYWPJOT-UHFFFAOYSA-N 0 3 390.444 0.217 20 0 GCADHN CN(C)C(=O)c1cccc(CC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821579623 599448207 /nfs/dbraw/zinc/44/82/07/599448207.db2.gz IMRXKLDUXKNXMA-CQSZACIVSA-N 0 3 395.471 0.639 20 0 GCADHN CN(C)C(=O)c1cccc(CC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821579623 599448209 /nfs/dbraw/zinc/44/82/09/599448209.db2.gz IMRXKLDUXKNXMA-CQSZACIVSA-N 0 3 395.471 0.639 20 0 GCADHN Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)cn1 ZINC000822679942 599449994 /nfs/dbraw/zinc/44/99/94/599449994.db2.gz KKTSPWFZQSQJJL-CHWSQXEVSA-N 0 3 383.464 0.097 20 0 GCADHN Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)cn1 ZINC000822679942 599449995 /nfs/dbraw/zinc/44/99/95/599449995.db2.gz KKTSPWFZQSQJJL-CHWSQXEVSA-N 0 3 383.464 0.097 20 0 GCADHN CCS(=O)(=O)N1CCC([NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000736659892 599485258 /nfs/dbraw/zinc/48/52/58/599485258.db2.gz YLWZBZCSDKYRHI-UHFFFAOYSA-N 0 3 390.473 0.418 20 0 GCADHN CCS(=O)(=O)N1CCC([NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000736659892 599485260 /nfs/dbraw/zinc/48/52/60/599485260.db2.gz YLWZBZCSDKYRHI-UHFFFAOYSA-N 0 3 390.473 0.418 20 0 GCADHN CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821599202 599489221 /nfs/dbraw/zinc/48/92/21/599489221.db2.gz JUONNCKSGZGJRU-INIZCTEOSA-N 0 3 385.472 0.929 20 0 GCADHN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821599202 599489222 /nfs/dbraw/zinc/48/92/22/599489222.db2.gz JUONNCKSGZGJRU-INIZCTEOSA-N 0 3 385.472 0.929 20 0 GCADHN CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821599202 599489224 /nfs/dbraw/zinc/48/92/24/599489224.db2.gz JUONNCKSGZGJRU-INIZCTEOSA-N 0 3 385.472 0.929 20 0 GCADHN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821599202 599489227 /nfs/dbraw/zinc/48/92/27/599489227.db2.gz JUONNCKSGZGJRU-INIZCTEOSA-N 0 3 385.472 0.929 20 0 GCADHN COCCOC[C@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691854 599586710 /nfs/dbraw/zinc/58/67/10/599586710.db2.gz HDJVXGLSFCLABI-HOCLYGCPSA-N 0 3 377.445 0.591 20 0 GCADHN COCCOC[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691854 599586712 /nfs/dbraw/zinc/58/67/12/599586712.db2.gz HDJVXGLSFCLABI-HOCLYGCPSA-N 0 3 377.445 0.591 20 0 GCADHN COCCOC[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691853 599587300 /nfs/dbraw/zinc/58/73/00/599587300.db2.gz HDJVXGLSFCLABI-GOEBONIOSA-N 0 3 377.445 0.591 20 0 GCADHN COCCOC[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691853 599587301 /nfs/dbraw/zinc/58/73/01/599587301.db2.gz HDJVXGLSFCLABI-GOEBONIOSA-N 0 3 377.445 0.591 20 0 GCADHN C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821584837 599596394 /nfs/dbraw/zinc/59/63/94/599596394.db2.gz UXKONMGFPMWTRH-UHFFFAOYSA-N 0 3 385.350 0.892 20 0 GCADHN C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821584837 599596396 /nfs/dbraw/zinc/59/63/96/599596396.db2.gz UXKONMGFPMWTRH-UHFFFAOYSA-N 0 3 385.350 0.892 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1-c1nnn[n-]1 ZINC000822318968 599598435 /nfs/dbraw/zinc/59/84/35/599598435.db2.gz DJHSLMYSSZFHGF-ZDUSSCGKSA-N 0 3 387.444 0.077 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1-c1nn[n-]n1 ZINC000822318968 599598438 /nfs/dbraw/zinc/59/84/38/599598438.db2.gz DJHSLMYSSZFHGF-ZDUSSCGKSA-N 0 3 387.444 0.077 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1-c1nnn[n-]1 ZINC000822319086 599607429 /nfs/dbraw/zinc/60/74/29/599607429.db2.gz IPAVSBSULBUMIJ-UHFFFAOYSA-N 0 3 387.444 0.077 20 0 GCADHN Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCC(O)CC2)c1-c1nn[n-]n1 ZINC000822319086 599607431 /nfs/dbraw/zinc/60/74/31/599607431.db2.gz IPAVSBSULBUMIJ-UHFFFAOYSA-N 0 3 387.444 0.077 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822964087 599643136 /nfs/dbraw/zinc/64/31/36/599643136.db2.gz CPQIUQWICKELBQ-QGZVFWFLSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@@H]1CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822964087 599643137 /nfs/dbraw/zinc/64/31/37/599643137.db2.gz CPQIUQWICKELBQ-QGZVFWFLSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822964087 599643138 /nfs/dbraw/zinc/64/31/38/599643138.db2.gz CPQIUQWICKELBQ-QGZVFWFLSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@@H]1CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822964087 599643139 /nfs/dbraw/zinc/64/31/39/599643139.db2.gz CPQIUQWICKELBQ-QGZVFWFLSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@H]1CN1CCOCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964079 599643318 /nfs/dbraw/zinc/64/33/18/599643318.db2.gz CMVJNLMNIUQJMI-KRWDZBQOSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@H]1CN1CCOCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822964079 599643319 /nfs/dbraw/zinc/64/33/19/599643319.db2.gz CMVJNLMNIUQJMI-KRWDZBQOSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@H]1CN1CCOCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964079 599643320 /nfs/dbraw/zinc/64/33/20/599643320.db2.gz CMVJNLMNIUQJMI-KRWDZBQOSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@H]1CN1CCOCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964079 599643321 /nfs/dbraw/zinc/64/33/21/599643321.db2.gz CMVJNLMNIUQJMI-KRWDZBQOSA-N 0 3 385.472 0.992 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821268400 599675720 /nfs/dbraw/zinc/67/57/20/599675720.db2.gz VZSJISDLZFKCJO-HNNXBMFYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821268400 599675721 /nfs/dbraw/zinc/67/57/21/599675721.db2.gz VZSJISDLZFKCJO-HNNXBMFYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821266422 599675971 /nfs/dbraw/zinc/67/59/71/599675971.db2.gz CIRRQLMTCMPHJJ-CQSZACIVSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821266422 599675972 /nfs/dbraw/zinc/67/59/72/599675972.db2.gz CIRRQLMTCMPHJJ-CQSZACIVSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821266422 599675973 /nfs/dbraw/zinc/67/59/73/599675973.db2.gz CIRRQLMTCMPHJJ-CQSZACIVSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821266422 599675974 /nfs/dbraw/zinc/67/59/74/599675974.db2.gz CIRRQLMTCMPHJJ-CQSZACIVSA-N 0 3 385.476 0.578 20 0 GCADHN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000827380712 601103204 /nfs/dbraw/zinc/10/32/04/601103204.db2.gz VSRYZUZUBXYAJI-OAHLLOKOSA-N 0 3 375.473 0.454 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000821582873 607506509 /nfs/dbraw/zinc/50/65/09/607506509.db2.gz AQHAUGRRMUCTPW-CQSZACIVSA-N 0 3 381.444 0.993 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000821582873 607506511 /nfs/dbraw/zinc/50/65/11/607506511.db2.gz AQHAUGRRMUCTPW-CQSZACIVSA-N 0 3 381.444 0.993 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nnn[n-]1 ZINC000826193740 607508746 /nfs/dbraw/zinc/50/87/46/607508746.db2.gz NMLYKYQYPACATC-KDOFPFPSSA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nnn[n-]1 ZINC000826193740 607508748 /nfs/dbraw/zinc/50/87/48/607508748.db2.gz NMLYKYQYPACATC-KDOFPFPSSA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nn[n-]n1 ZINC000826193740 607508750 /nfs/dbraw/zinc/50/87/50/607508750.db2.gz NMLYKYQYPACATC-KDOFPFPSSA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc1-c1nn[n-]n1 ZINC000826193740 607508752 /nfs/dbraw/zinc/50/87/52/607508752.db2.gz NMLYKYQYPACATC-KDOFPFPSSA-N 0 3 399.499 0.860 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825856169 607556306 /nfs/dbraw/zinc/55/63/06/607556306.db2.gz QDXPNNSMMCQBQY-SNPRPXQTSA-N 0 3 392.485 0.739 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825856169 607556308 /nfs/dbraw/zinc/55/63/08/607556308.db2.gz QDXPNNSMMCQBQY-SNPRPXQTSA-N 0 3 392.485 0.739 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824708568 607632020 /nfs/dbraw/zinc/63/20/20/607632020.db2.gz YVCKRYGVJYAOMG-CYBMUJFWSA-N 0 3 394.501 0.580 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000825848416 607633593 /nfs/dbraw/zinc/63/35/93/607633593.db2.gz COBRPFCOCLACOL-ZACQAIPSSA-N 0 3 385.472 0.989 20 0 GCADHN Cc1cccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1-c1nnn[n-]1 ZINC000826303638 607633623 /nfs/dbraw/zinc/63/36/23/607633623.db2.gz XZFXAFFGNCWTDK-CQSZACIVSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1-c1nnn[n-]1 ZINC000826303638 607633624 /nfs/dbraw/zinc/63/36/24/607633624.db2.gz XZFXAFFGNCWTDK-CQSZACIVSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1-c1nn[n-]n1 ZINC000826303638 607633625 /nfs/dbraw/zinc/63/36/25/607633625.db2.gz XZFXAFFGNCWTDK-CQSZACIVSA-N 0 3 394.501 0.690 20 0 GCADHN Cc1cccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1-c1nn[n-]n1 ZINC000826303638 607633627 /nfs/dbraw/zinc/63/36/27/607633627.db2.gz XZFXAFFGNCWTDK-CQSZACIVSA-N 0 3 394.501 0.690 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000825923596 607637610 /nfs/dbraw/zinc/63/76/10/607637610.db2.gz NUHXBLKSWUIKOK-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000825923596 607637612 /nfs/dbraw/zinc/63/76/12/607637612.db2.gz NUHXBLKSWUIKOK-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000825923596 607637614 /nfs/dbraw/zinc/63/76/14/607637614.db2.gz NUHXBLKSWUIKOK-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN C[N@@H+](CCCO)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000825923596 607637615 /nfs/dbraw/zinc/63/76/15/607637615.db2.gz NUHXBLKSWUIKOK-UHFFFAOYSA-N 0 3 380.474 0.334 20 0 GCADHN C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000825865448 607662397 /nfs/dbraw/zinc/66/23/97/607662397.db2.gz FPQUYBHMXULFDX-UHFFFAOYSA-N 0 3 394.501 0.988 20 0 GCADHN C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000825865448 607662399 /nfs/dbraw/zinc/66/23/99/607662399.db2.gz FPQUYBHMXULFDX-UHFFFAOYSA-N 0 3 394.501 0.988 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825577715 607667750 /nfs/dbraw/zinc/66/77/50/607667750.db2.gz ZHOXCNGMCWDWLC-GFCCVEGCSA-N 0 3 386.453 0.641 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000824297021 607671731 /nfs/dbraw/zinc/67/17/31/607671731.db2.gz ONPIBFNMQBEURS-UHFFFAOYSA-N 0 3 398.464 0.519 20 0 GCADHN C[C@]1(C2CC[NH+](CCOc3ccccc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820612896 606095612 /nfs/dbraw/zinc/09/56/12/606095612.db2.gz MTPSHWGBBMCUEW-GOSISDBHSA-N 0 3 385.428 0.556 20 0 GCADHN C[C@]1(C2CC[NH+](CCOc3ccccc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820612896 606095614 /nfs/dbraw/zinc/09/56/14/606095614.db2.gz MTPSHWGBBMCUEW-GOSISDBHSA-N 0 3 385.428 0.556 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821189407 606144821 /nfs/dbraw/zinc/14/48/21/606144821.db2.gz LNTNQHKCFOGLDR-HNNXBMFYSA-N 0 3 394.501 0.988 20 0 GCADHN CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821189407 606144823 /nfs/dbraw/zinc/14/48/23/606144823.db2.gz LNTNQHKCFOGLDR-HNNXBMFYSA-N 0 3 394.501 0.988 20 0 GCADHN COC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821680355 606153612 /nfs/dbraw/zinc/15/36/12/606153612.db2.gz HBBCELIYBQRTJN-QGZVFWFLSA-N 0 3 376.417 0.753 20 0 GCADHN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000822459553 606184988 /nfs/dbraw/zinc/18/49/88/606184988.db2.gz RXTBYRYOXJQIPX-UHFFFAOYSA-N 0 3 383.460 0.669 20 0 GCADHN C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821587238 606268220 /nfs/dbraw/zinc/26/82/20/606268220.db2.gz MWAJMJRTEOCEQJ-UHFFFAOYSA-N 0 3 382.428 0.416 20 0 GCADHN C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821587238 606268222 /nfs/dbraw/zinc/26/82/22/606268222.db2.gz MWAJMJRTEOCEQJ-UHFFFAOYSA-N 0 3 382.428 0.416 20 0 GCADHN CC(=O)N1CCC([NH2+][C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000819789548 606297772 /nfs/dbraw/zinc/29/77/72/606297772.db2.gz TVBVNQBEMGZRGK-ZDUSSCGKSA-N 0 3 375.458 0.634 20 0 GCADHN O=S(=O)(CC[NH2+]C1CCC2(CC1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562467 606310292 /nfs/dbraw/zinc/31/02/92/606310292.db2.gz ROJGWEGRMVFJIL-UHFFFAOYSA-N 0 3 393.469 0.916 20 0 GCADHN O=S(=O)(CC[NH2+]C1CCC2(CC1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562467 606310294 /nfs/dbraw/zinc/31/02/94/606310294.db2.gz ROJGWEGRMVFJIL-UHFFFAOYSA-N 0 3 393.469 0.916 20 0 GCADHN C[NH+](C)[C@@]1(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCSC1 ZINC000821581689 606329851 /nfs/dbraw/zinc/32/98/51/606329851.db2.gz SDVPXDABQXLNFZ-MRXNPFEDSA-N 0 3 391.505 0.410 20 0 GCADHN C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820753656 606333392 /nfs/dbraw/zinc/33/33/92/606333392.db2.gz ZXVBDTMPEXEMAJ-QGPMSJSTSA-N 0 3 388.472 0.259 20 0 GCADHN C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820753656 606333394 /nfs/dbraw/zinc/33/33/94/606333394.db2.gz ZXVBDTMPEXEMAJ-QGPMSJSTSA-N 0 3 388.472 0.259 20 0 GCADHN C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000820525173 606365606 /nfs/dbraw/zinc/36/56/06/606365606.db2.gz DOSFSTPSMCXSQC-AWEZNQCLSA-N 0 3 387.488 0.776 20 0 GCADHN C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCCC1 ZINC000821581292 606393600 /nfs/dbraw/zinc/39/36/00/606393600.db2.gz IBPIKWKMEDCZHA-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCCC1 ZINC000821581292 606393603 /nfs/dbraw/zinc/39/36/03/606393603.db2.gz IBPIKWKMEDCZHA-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820128037 606397590 /nfs/dbraw/zinc/39/75/90/606397590.db2.gz ORCDOCGLPXLPAJ-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820128037 606397591 /nfs/dbraw/zinc/39/75/91/606397591.db2.gz ORCDOCGLPXLPAJ-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820128037 606397593 /nfs/dbraw/zinc/39/75/93/606397593.db2.gz ORCDOCGLPXLPAJ-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820128037 606397595 /nfs/dbraw/zinc/39/75/95/606397595.db2.gz ORCDOCGLPXLPAJ-NSHDSACASA-N 0 3 375.408 0.791 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821255368 606404363 /nfs/dbraw/zinc/40/43/63/606404363.db2.gz ZABOPLHPFRETCC-LBPRGKRZSA-N 0 3 375.408 0.887 20 0 GCADHN CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821255368 606404365 /nfs/dbraw/zinc/40/43/65/606404365.db2.gz ZABOPLHPFRETCC-LBPRGKRZSA-N 0 3 375.408 0.887 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823155052 606477418 /nfs/dbraw/zinc/47/74/18/606477418.db2.gz NREFVZJHQYVGOY-JKSUJKDBSA-N 0 3 381.440 0.808 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823155052 606477419 /nfs/dbraw/zinc/47/74/19/606477419.db2.gz NREFVZJHQYVGOY-JKSUJKDBSA-N 0 3 381.440 0.808 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823155048 606477791 /nfs/dbraw/zinc/47/77/91/606477791.db2.gz NREFVZJHQYVGOY-HOTGVXAUSA-N 0 3 381.440 0.808 20 0 GCADHN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823155048 606477792 /nfs/dbraw/zinc/47/77/92/606477792.db2.gz NREFVZJHQYVGOY-HOTGVXAUSA-N 0 3 381.440 0.808 20 0 GCADHN C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821584694 606491896 /nfs/dbraw/zinc/49/18/96/606491896.db2.gz OQOXWQCWTLBJRJ-UHFFFAOYSA-N 0 3 394.501 0.988 20 0 GCADHN C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821584694 606491898 /nfs/dbraw/zinc/49/18/98/606491898.db2.gz OQOXWQCWTLBJRJ-UHFFFAOYSA-N 0 3 394.501 0.988 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821581190 606603904 /nfs/dbraw/zinc/60/39/04/606603904.db2.gz FFKPYWOFDRHOQE-LSDHHAIUSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821581190 606603905 /nfs/dbraw/zinc/60/39/05/606603905.db2.gz FFKPYWOFDRHOQE-LSDHHAIUSA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821581187 606603962 /nfs/dbraw/zinc/60/39/62/606603962.db2.gz FFKPYWOFDRHOQE-CABCVRRESA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821581187 606603964 /nfs/dbraw/zinc/60/39/64/606603964.db2.gz FFKPYWOFDRHOQE-CABCVRRESA-N 0 3 399.503 0.966 20 0 GCADHN C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000821583325 606609896 /nfs/dbraw/zinc/60/98/96/606609896.db2.gz RCKWCDOXUUCWEL-NSHDSACASA-N 0 3 393.835 0.248 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821581682 606614546 /nfs/dbraw/zinc/61/45/46/606614546.db2.gz SCBBREFLJVJIJV-CMPLNLGQSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821581682 606614547 /nfs/dbraw/zinc/61/45/47/606614547.db2.gz SCBBREFLJVJIJV-CMPLNLGQSA-N 0 3 375.408 0.933 20 0 GCADHN O=C(CN1CCN(C[C@@H]2CCOC2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822996828 606619159 /nfs/dbraw/zinc/61/91/59/606619159.db2.gz JTKAZUXITOQRLU-INIZCTEOSA-N 0 3 385.472 0.137 20 0 GCADHN O=C1[C@H](N2CCN(C[C@@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000823505303 606624230 /nfs/dbraw/zinc/62/42/30/606624230.db2.gz ZUYJZYKETQWENT-MAUKXSAKSA-N 0 3 397.483 0.626 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821351608 606634533 /nfs/dbraw/zinc/63/45/33/606634533.db2.gz SYBRVHWPVYQATG-CQSZACIVSA-N 0 3 382.490 0.810 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821351608 606634534 /nfs/dbraw/zinc/63/45/34/606634534.db2.gz SYBRVHWPVYQATG-CQSZACIVSA-N 0 3 382.490 0.810 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000821350898 606634656 /nfs/dbraw/zinc/63/46/56/606634656.db2.gz GEWCYTDZCGHWGO-AWEZNQCLSA-N 0 3 382.490 0.810 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821350898 606634657 /nfs/dbraw/zinc/63/46/57/606634657.db2.gz GEWCYTDZCGHWGO-AWEZNQCLSA-N 0 3 382.490 0.810 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822859603 606678348 /nfs/dbraw/zinc/67/83/48/606678348.db2.gz HKZHRGHWOXLVKF-SNVBAGLBSA-N 0 3 393.398 0.462 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822859603 606678349 /nfs/dbraw/zinc/67/83/49/606678349.db2.gz HKZHRGHWOXLVKF-SNVBAGLBSA-N 0 3 393.398 0.462 20 0 GCADHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822859603 606678350 /nfs/dbraw/zinc/67/83/50/606678350.db2.gz HKZHRGHWOXLVKF-SNVBAGLBSA-N 0 3 393.398 0.462 20 0 GCADHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822859603 606678351 /nfs/dbraw/zinc/67/83/51/606678351.db2.gz HKZHRGHWOXLVKF-SNVBAGLBSA-N 0 3 393.398 0.462 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821242983 606679022 /nfs/dbraw/zinc/67/90/22/606679022.db2.gz YBZLICGMZHZVOM-UKRRQHHQSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821242983 606679023 /nfs/dbraw/zinc/67/90/23/606679023.db2.gz YBZLICGMZHZVOM-UKRRQHHQSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000821239436 606694817 /nfs/dbraw/zinc/69/48/17/606694817.db2.gz BLGGVHNVMWCQBX-ABAIWWIYSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000821239436 606694818 /nfs/dbraw/zinc/69/48/18/606694818.db2.gz BLGGVHNVMWCQBX-ABAIWWIYSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000821239436 606694819 /nfs/dbraw/zinc/69/48/19/606694819.db2.gz BLGGVHNVMWCQBX-ABAIWWIYSA-N 0 3 381.444 0.705 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000821239436 606694820 /nfs/dbraw/zinc/69/48/20/606694820.db2.gz BLGGVHNVMWCQBX-ABAIWWIYSA-N 0 3 381.444 0.705 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000822637410 606718819 /nfs/dbraw/zinc/71/88/19/606718819.db2.gz QCBSFEWOXNRZDG-IRXDYDNUSA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000822637410 606718821 /nfs/dbraw/zinc/71/88/21/606718821.db2.gz QCBSFEWOXNRZDG-IRXDYDNUSA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000822637410 606718822 /nfs/dbraw/zinc/71/88/22/606718822.db2.gz QCBSFEWOXNRZDG-IRXDYDNUSA-N 0 3 395.467 0.818 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000822637410 606718824 /nfs/dbraw/zinc/71/88/24/606718824.db2.gz QCBSFEWOXNRZDG-IRXDYDNUSA-N 0 3 395.467 0.818 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000820541856 606750159 /nfs/dbraw/zinc/75/01/59/606750159.db2.gz JKBOWRKOEGUHEW-AWEZNQCLSA-N 0 3 388.472 0.986 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000820541856 606750161 /nfs/dbraw/zinc/75/01/61/606750161.db2.gz JKBOWRKOEGUHEW-AWEZNQCLSA-N 0 3 388.472 0.986 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000821810191 606774161 /nfs/dbraw/zinc/77/41/61/606774161.db2.gz XKIUDGPPWDANIG-GXTWGEPZSA-N 0 3 380.474 0.683 20 0 GCADHN COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000821810191 606774163 /nfs/dbraw/zinc/77/41/63/606774163.db2.gz XKIUDGPPWDANIG-GXTWGEPZSA-N 0 3 380.474 0.683 20 0 GCADHN C[C@@H]1CN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@@H]1[NH+](C)C ZINC000820736230 606832727 /nfs/dbraw/zinc/83/27/27/606832727.db2.gz YFQXGCHYLMCWDK-CJNGLKHVSA-N 0 3 399.503 0.822 20 0 GCADHN C[C@@H]1CN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C[C@@H]1[NH+](C)C ZINC000820736230 606832729 /nfs/dbraw/zinc/83/27/29/606832729.db2.gz YFQXGCHYLMCWDK-CJNGLKHVSA-N 0 3 399.503 0.822 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821937206 606919271 /nfs/dbraw/zinc/91/92/71/606919271.db2.gz KGLRRKYQCQRPMR-DOMZBBRYSA-N 0 3 380.474 0.161 20 0 GCADHN FC(F)(F)Cn1cc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cn1 ZINC000822718238 606923425 /nfs/dbraw/zinc/92/34/25/606923425.db2.gz DMXWDJBCMDSNMM-SECBINFHSA-N 0 3 382.354 0.654 20 0 GCADHN FC(F)(F)Cn1cc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cn1 ZINC000822718238 606923427 /nfs/dbraw/zinc/92/34/27/606923427.db2.gz DMXWDJBCMDSNMM-SECBINFHSA-N 0 3 382.354 0.654 20 0 GCADHN CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000820903423 606987080 /nfs/dbraw/zinc/98/70/80/606987080.db2.gz UMQCDWKIVSLONA-INIZCTEOSA-N 0 3 399.503 0.968 20 0 GCADHN CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000820903423 606987082 /nfs/dbraw/zinc/98/70/82/606987082.db2.gz UMQCDWKIVSLONA-INIZCTEOSA-N 0 3 399.503 0.968 20 0 GCADHN CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820901664 606987130 /nfs/dbraw/zinc/98/71/30/606987130.db2.gz DHRDLPOGASJYDQ-HNNXBMFYSA-N 0 3 399.503 0.968 20 0 GCADHN CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820901664 606987132 /nfs/dbraw/zinc/98/71/32/606987132.db2.gz DHRDLPOGASJYDQ-HNNXBMFYSA-N 0 3 399.503 0.968 20 0 GCADHN CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820902359 606987178 /nfs/dbraw/zinc/98/71/78/606987178.db2.gz KDHUEARHRICKMA-INIZCTEOSA-N 0 3 399.503 0.968 20 0 GCADHN CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820902359 606987180 /nfs/dbraw/zinc/98/71/80/606987180.db2.gz KDHUEARHRICKMA-INIZCTEOSA-N 0 3 399.503 0.968 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1C1CCCCC1 ZINC000823513568 607008473 /nfs/dbraw/zinc/00/84/73/607008473.db2.gz VBWBTISHFMWJAS-WFASDCNBSA-N 0 3 385.476 0.628 20 0 GCADHN C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820750520 607063899 /nfs/dbraw/zinc/06/38/99/607063899.db2.gz BJOBUTWXSMJNFE-PBHICJAKSA-N 0 3 389.479 0.843 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000821755415 607094803 /nfs/dbraw/zinc/09/48/03/607094803.db2.gz GAMXFFUDEQPETF-ZFWWWQNUSA-N 0 3 399.455 0.757 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000821755415 607094805 /nfs/dbraw/zinc/09/48/05/607094805.db2.gz GAMXFFUDEQPETF-ZFWWWQNUSA-N 0 3 399.455 0.757 20 0 GCADHN COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000821756968 607095832 /nfs/dbraw/zinc/09/58/32/607095832.db2.gz SBTCFPDOTUFLDC-NSHDSACASA-N 0 3 389.460 0.906 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC[NH2+]C(C)(C)C ZINC000820451232 607156194 /nfs/dbraw/zinc/15/61/94/607156194.db2.gz SXYVWXUSZQMVNR-LLVKDONJSA-N 0 3 395.489 0.038 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[NH2+]C(C)(C)C ZINC000820451232 607156196 /nfs/dbraw/zinc/15/61/96/607156196.db2.gz SXYVWXUSZQMVNR-LLVKDONJSA-N 0 3 395.489 0.038 20 0 GCADHN C[NH+](C)C[C@@](C)(O)CNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825854942 607781859 /nfs/dbraw/zinc/78/18/59/607781859.db2.gz FHYHMBGHNHSVDL-KRWDZBQOSA-N 0 3 393.517 0.712 20 0 GCADHN C[NH+](C)C[C@@](C)(O)CNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825854942 607781860 /nfs/dbraw/zinc/78/18/60/607781860.db2.gz FHYHMBGHNHSVDL-KRWDZBQOSA-N 0 3 393.517 0.712 20 0 GCADHN OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000826507507 607820949 /nfs/dbraw/zinc/82/09/49/607820949.db2.gz PZFRIOSXPNMVRY-IVMMDQJWSA-N 0 3 384.444 0.179 20 0 GCADHN OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000826507507 607820950 /nfs/dbraw/zinc/82/09/50/607820950.db2.gz PZFRIOSXPNMVRY-IVMMDQJWSA-N 0 3 384.444 0.179 20 0 GCADHN C[NH+]1CCC([C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)C2)CC1 ZINC000826023053 607903844 /nfs/dbraw/zinc/90/38/44/607903844.db2.gz WZCYMVILSFGLID-CYBMUJFWSA-N 0 3 391.501 0.682 20 0 GCADHN C[NH+]1CCC([C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)C2)CC1 ZINC000826023053 607903845 /nfs/dbraw/zinc/90/38/45/607903845.db2.gz WZCYMVILSFGLID-CYBMUJFWSA-N 0 3 391.501 0.682 20 0 GCADHN CS[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000826226781 608088628 /nfs/dbraw/zinc/08/86/28/608088628.db2.gz GIPMKRQEUFMDTR-NWDGAFQWSA-N 0 3 379.490 0.992 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC000824419649 608340378 /nfs/dbraw/zinc/34/03/78/608340378.db2.gz BBVOARAPQRAPRQ-LLVKDONJSA-N 0 3 389.464 0.357 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826389594 608454256 /nfs/dbraw/zinc/45/42/56/608454256.db2.gz BZOOLKQBECFQID-MRXNPFEDSA-N 0 3 398.471 0.219 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+]1C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826389594 608454257 /nfs/dbraw/zinc/45/42/57/608454257.db2.gz BZOOLKQBECFQID-MRXNPFEDSA-N 0 3 398.471 0.219 20 0 GCADHN O=S(=O)(CCN[C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)N1CCOCC1 ZINC000826485183 608520529 /nfs/dbraw/zinc/52/05/29/608520529.db2.gz GCGUMDBFZAXLNL-MRXNPFEDSA-N 0 3 392.485 0.496 20 0 GCADHN C[NH+]1CCC2(CCCN2C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000826028822 608614844 /nfs/dbraw/zinc/61/48/44/608614844.db2.gz ILWGQMGDZQSQOF-UHFFFAOYSA-N 0 3 385.476 0.943 20 0 GCADHN C[NH+]1CCC2(CCCN2C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000826028822 608614845 /nfs/dbraw/zinc/61/48/45/608614845.db2.gz ILWGQMGDZQSQOF-UHFFFAOYSA-N 0 3 385.476 0.943 20 0 GCADHN C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000825856440 609203067 /nfs/dbraw/zinc/20/30/67/609203067.db2.gz WGYUYCSOSIIXIO-JKSUJKDBSA-N 0 3 398.471 0.708 20 0 GCADHN O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431329 609230139 /nfs/dbraw/zinc/23/01/39/609230139.db2.gz YMYFZCVTAWGIJM-DLBZAZTESA-N 0 3 386.456 0.660 20 0 GCADHN O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431331 609230488 /nfs/dbraw/zinc/23/04/88/609230488.db2.gz YMYFZCVTAWGIJM-IRXDYDNUSA-N 0 3 386.456 0.660 20 0 GCADHN Cn1cc([C@@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826359268 609339954 /nfs/dbraw/zinc/33/99/54/609339954.db2.gz BBTQGXUJUBMANF-INIZCTEOSA-N 0 3 379.428 0.824 20 0 GCADHN O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826443158 609416763 /nfs/dbraw/zinc/41/67/63/609416763.db2.gz DBRGRUMSQGYQIZ-MRXNPFEDSA-N 0 3 379.424 0.758 20 0 GCADHN O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826443158 609416765 /nfs/dbraw/zinc/41/67/65/609416765.db2.gz DBRGRUMSQGYQIZ-MRXNPFEDSA-N 0 3 379.424 0.758 20 0 GCADHN Cc1onc(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1-c1nnn[n-]1 ZINC000826348191 609424552 /nfs/dbraw/zinc/42/45/52/609424552.db2.gz ZOOONOLYNXUZRR-HNNXBMFYSA-N 0 3 397.439 0.589 20 0 GCADHN Cc1onc(CC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1-c1nnn[n-]1 ZINC000826348191 609424553 /nfs/dbraw/zinc/42/45/53/609424553.db2.gz ZOOONOLYNXUZRR-HNNXBMFYSA-N 0 3 397.439 0.589 20 0 GCADHN COc1cccc([C@@H](CO)NC[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826214323 609426998 /nfs/dbraw/zinc/42/69/98/609426998.db2.gz IDHDCHLMVHIPQK-CRAIPNDOSA-N 0 3 385.424 0.938 20 0 GCADHN CN1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826028959 609608331 /nfs/dbraw/zinc/60/83/31/609608331.db2.gz LDJZBDPZLWBKSF-GOEBONIOSA-N 0 3 398.471 0.756 20 0 GCADHN CN1CCC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826028960 609608370 /nfs/dbraw/zinc/60/83/70/609608370.db2.gz LDJZBDPZLWBKSF-HOCLYGCPSA-N 0 3 398.471 0.756 20 0 GCADHN NS(=O)(=O)C[C@H]1CCN(C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000932962147 638478152 /nfs/dbraw/zinc/47/81/52/638478152.db2.gz IITNDHQLQUTWLE-AAEUAGOBSA-N 0 3 393.303 0.799 20 0 GCADHN C[C@@H]1CCC[C@](CNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)(N(C)C)C1 ZINC000892238034 638535941 /nfs/dbraw/zinc/53/59/41/638535941.db2.gz VXAUHRITIJGASC-VYDXJSESSA-N 0 3 375.535 0.952 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000262149635 638542285 /nfs/dbraw/zinc/54/22/85/638542285.db2.gz RBLQHBFVIBFTQV-LBPRGKRZSA-N 0 3 377.488 0.487 20 0 GCADHN CCN1CCN(CCCNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000124907761 638630333 /nfs/dbraw/zinc/63/03/33/638630333.db2.gz QELDPYDLQNKUSH-UHFFFAOYSA-N 0 3 388.921 0.745 20 0 GCADHN C[C@@H](CN(C)CCC[NH+](C)C)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867501958 638638746 /nfs/dbraw/zinc/63/87/46/638638746.db2.gz OPCJEVVDZLIDPZ-NSHDSACASA-N 0 3 396.355 0.733 20 0 GCADHN CNS(=O)(=O)NC1CCN(C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000894157303 638666774 /nfs/dbraw/zinc/66/67/74/638666774.db2.gz AUOXLBGOOUSZLT-XBXGTLAGSA-N 0 3 376.523 0.808 20 0 GCADHN Cc1ncc(I)c(N2CN(CCN(C)C)C(=O)[C@@H]2C)n1 ZINC000894353932 638695571 /nfs/dbraw/zinc/69/55/71/638695571.db2.gz OTJLNKKMFCWHJJ-VIFPVBQESA-N 0 3 389.241 0.946 20 0 GCADHN COC(=O)[C@H]1[C@@H](CNCCNS(=O)(=O)c2ccc(F)cc2F)C1(F)F ZINC000894659917 638708327 /nfs/dbraw/zinc/70/83/27/638708327.db2.gz FJGDBIRJVVEYAB-BXKDBHETSA-N 0 3 384.351 0.887 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1Cc1c(I)cnn1C ZINC000895083687 638723255 /nfs/dbraw/zinc/72/32/55/638723255.db2.gz BONRGBKEBILIJH-JTQLQIEISA-N 0 3 391.257 0.577 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c(OC)c1 ZINC000262143356 638730752 /nfs/dbraw/zinc/73/07/52/638730752.db2.gz PSHRPLLKHDQKHE-LLVKDONJSA-N 0 3 377.488 0.426 20 0 GCADHN CN(C)CCN1CCN(Cc2sc(N3CCOCC3)nc2Cl)CC1=O ZINC000895133777 638731466 /nfs/dbraw/zinc/73/14/66/638731466.db2.gz PJWBYAWFGRZQEG-UHFFFAOYSA-N 0 3 387.937 0.839 20 0 GCADHN Cn1cc(Br)c(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)n1 ZINC000895157573 638733763 /nfs/dbraw/zinc/73/37/63/638733763.db2.gz SLYVKHNFAATWFA-KBPBESRZSA-N 0 3 386.294 0.923 20 0 GCADHN Cn1cc(Br)c(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)n1 ZINC000895157576 638733892 /nfs/dbraw/zinc/73/38/92/638733892.db2.gz SLYVKHNFAATWFA-ZIAGYGMSSA-N 0 3 386.294 0.923 20 0 GCADHN CS(=O)(=O)C1CC(NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000895317151 638748022 /nfs/dbraw/zinc/74/80/22/638748022.db2.gz JEOWXMKTEJGRDN-UHFFFAOYSA-N 0 3 376.276 0.739 20 0 GCADHN CCN1CCN(CCCNC(=O)c2c[nH]nc2I)CC1 ZINC000895715818 639029147 /nfs/dbraw/zinc/02/91/47/639029147.db2.gz WOMSDGLOBQQNQJ-UHFFFAOYSA-N 0 3 391.257 0.772 20 0 GCADHN Cn1cc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c(Br)n1 ZINC000896585624 639054938 /nfs/dbraw/zinc/05/49/38/639054938.db2.gz VWQITWLAUDZFKG-CHWSQXEVSA-N 0 3 386.294 0.923 20 0 GCADHN C[NH2+]CCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000262748636 639136155 /nfs/dbraw/zinc/13/61/55/639136155.db2.gz MNZBKXWVRGCJEF-UHFFFAOYSA-N 0 3 375.394 0.025 20 0 GCADHN CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000866939651 639140124 /nfs/dbraw/zinc/14/01/24/639140124.db2.gz AONCZWFBBBPRDX-JTQLQIEISA-N 0 3 383.312 0.818 20 0 GCADHN CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000866939652 639140334 /nfs/dbraw/zinc/14/03/34/639140334.db2.gz AONCZWFBBBPRDX-SNVBAGLBSA-N 0 3 383.312 0.818 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000897416299 639154666 /nfs/dbraw/zinc/15/46/66/639154666.db2.gz VLOMHEJUAZLADL-CQSZACIVSA-N 0 3 385.258 0.961 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1c[nH]nc1I ZINC000897421730 639157902 /nfs/dbraw/zinc/15/79/02/639157902.db2.gz NIXLWPSEGIRGCN-JTQLQIEISA-N 0 3 391.257 0.770 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH3+])C2)c1I ZINC000866757110 639230811 /nfs/dbraw/zinc/23/08/11/639230811.db2.gz JITBKWLBRHJLEK-YUMQZZPRSA-N 0 3 384.243 0.573 20 0 GCADHN CN(CCO)CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000899728745 639272261 /nfs/dbraw/zinc/27/22/61/639272261.db2.gz WIZSWZACSRCWGC-UHFFFAOYSA-N 0 3 384.230 0.085 20 0 GCADHN CN(CCO)CCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000899737034 639273280 /nfs/dbraw/zinc/27/32/80/639273280.db2.gz DFROXJVXCATXOY-OAHLLOKOSA-N 0 3 398.301 0.980 20 0 GCADHN C[C@@H](C(=O)NCCN(C)CCO)N1C(=O)c2ccc(Br)cc2C1=O ZINC000899737745 639273303 /nfs/dbraw/zinc/27/33/03/639273303.db2.gz PIUFDVJMQCQZHG-JTQLQIEISA-N 0 3 398.257 0.474 20 0 GCADHN CN(CCO)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000899729836 639273542 /nfs/dbraw/zinc/27/35/42/639273542.db2.gz PFYUBGNFHKXAQZ-GFCCVEGCSA-N 0 3 384.274 0.842 20 0 GCADHN C[C@](O)(CNCc1ccccc1CS(=O)(=O)N1CCOCC1)C(F)F ZINC000905023287 639290214 /nfs/dbraw/zinc/29/02/14/639290214.db2.gz FTTVULBWMCDWFY-INIZCTEOSA-N 0 3 378.441 0.954 20 0 GCADHN C[C@](O)(CNCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C(F)F ZINC000905050993 639290239 /nfs/dbraw/zinc/29/02/39/639290239.db2.gz XUPUOBJWORQIFW-HNNXBMFYSA-N 0 3 378.445 0.139 20 0 GCADHN Cc1c(C(=O)N[C@@H](CO)CN(C)C)nnn1-c1ccccc1Br ZINC000908200372 639443698 /nfs/dbraw/zinc/44/36/98/639443698.db2.gz JIXPVMHGPONCOF-LLVKDONJSA-N 0 3 382.262 0.991 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1cnn(C(C)(C)C)c1I ZINC000908200265 639443760 /nfs/dbraw/zinc/44/37/60/639443760.db2.gz IDAAZUAVERAKHB-VIFPVBQESA-N 0 3 394.257 0.895 20 0 GCADHN O=C(c1c[nH]nc1I)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000908201867 639444206 /nfs/dbraw/zinc/44/42/06/639444206.db2.gz MNVLUFJDJHEJNH-BDAKNGLRSA-N 0 3 376.198 0.295 20 0 GCADHN O=C(CNC(=O)COc1ccc(Br)cn1)NCCN1CCCCC1 ZINC000909313668 639477199 /nfs/dbraw/zinc/47/71/99/639477199.db2.gz XMIPVXGKAYQZOT-UHFFFAOYSA-N 0 3 399.289 0.941 20 0 GCADHN CN1CCNC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000912014067 639527548 /nfs/dbraw/zinc/52/75/48/639527548.db2.gz FNFRWEACOVWREJ-CQSZACIVSA-N 0 3 386.905 0.967 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H](O)c1cccc(Br)c1 ZINC000912461088 639539576 /nfs/dbraw/zinc/53/95/76/639539576.db2.gz HOHKQIGNHISIEX-OAHLLOKOSA-N 0 3 386.290 0.961 20 0 GCADHN CC(C)OCCOC[C@H](O)CN(C)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914147154 639702980 /nfs/dbraw/zinc/70/29/80/639702980.db2.gz JIHZSDNVPYNSLN-SJORKVTESA-N 0 3 378.535 0.536 20 0 GCADHN COc1ncc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000916302925 639822951 /nfs/dbraw/zinc/82/29/51/639822951.db2.gz PPTYKECDPAVELV-UHFFFAOYSA-N 0 3 390.531 0.227 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000918698977 639881733 /nfs/dbraw/zinc/88/17/33/639881733.db2.gz LCHXLVIOAPRFGW-LSDHHAIUSA-N 0 3 377.576 0.297 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919861160 639908146 /nfs/dbraw/zinc/90/81/46/639908146.db2.gz PNIXLLBABOQPGD-ZDUSSCGKSA-N 0 3 384.527 0.692 20 0 GCADHN COCCS(=O)(=O)CCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000733435697 639977004 /nfs/dbraw/zinc/97/70/04/639977004.db2.gz ONCMXDPKSJWJEW-UWVGGRQHSA-N 0 3 375.365 0.438 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866973838 640051546 /nfs/dbraw/zinc/05/15/46/640051546.db2.gz OBJRJPZYMQSZSZ-NSHDSACASA-N 0 3 390.868 0.801 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C2)CCN1C ZINC000925344468 640066258 /nfs/dbraw/zinc/06/62/58/640066258.db2.gz QDCPCGRDBSYLBJ-WISYIIOYSA-N 0 3 386.440 0.543 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)COCc2ccccc2Cl)C1 ZINC000740423985 640209589 /nfs/dbraw/zinc/20/95/89/640209589.db2.gz YARWPOHRAUBPEY-ZFWWWQNUSA-N 0 3 391.921 0.723 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@@H]2CCN(CC)[C@@H](C)C2)CC1 ZINC000740893738 640218184 /nfs/dbraw/zinc/21/81/84/640218184.db2.gz CQYFBXDRGSFEBI-LSDHHAIUSA-N 0 3 376.523 0.810 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)ccc1F ZINC000747262900 640307401 /nfs/dbraw/zinc/30/74/01/640307401.db2.gz KWPWRNVVJQDFTQ-UHFFFAOYSA-N 0 3 375.466 0.726 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000748652460 640328426 /nfs/dbraw/zinc/32/84/26/640328426.db2.gz XEQKAZRAIWKNEG-CQSZACIVSA-N 0 3 380.536 0.032 20 0 GCADHN C[C@H](C[S@](C)=O)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000753762282 640437908 /nfs/dbraw/zinc/43/79/08/640437908.db2.gz KEOWKGLZQAUVRV-DMDKVIGKSA-N 0 3 396.556 0.830 20 0 GCADHN O=C(N[C@@H]1CCN(C2CC2)C1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000755195761 640466303 /nfs/dbraw/zinc/46/63/03/640466303.db2.gz NVKYRPNLLRGNKU-LLVKDONJSA-N 0 3 384.424 0.836 20 0 GCADHN Cc1[nH]nc(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1Br ZINC000758271331 640524829 /nfs/dbraw/zinc/52/48/29/640524829.db2.gz NDNXBPQBTASCAW-SNVBAGLBSA-N 0 3 393.307 0.672 20 0 GCADHN Cn1nc(Br)cc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000760226415 640566083 /nfs/dbraw/zinc/56/60/83/640566083.db2.gz VLFNJCDWQOVCGF-LLVKDONJSA-N 0 3 384.278 0.737 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000762715371 640613908 /nfs/dbraw/zinc/61/39/08/640613908.db2.gz FARQJPJWZZDINS-HNNXBMFYSA-N 0 3 375.878 0.387 20 0 GCADHN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000765364421 640667395 /nfs/dbraw/zinc/66/73/95/640667395.db2.gz PHMAREYTODDDJF-VNHYZAJKSA-N 0 3 388.511 1.000 20 0 GCADHN COCCN1CCC(NC(=O)N[C@@H](CCSC)C(=O)N(C)OC)CC1 ZINC000765827931 640682343 /nfs/dbraw/zinc/68/23/43/640682343.db2.gz UISBLXXJCMWOJJ-AWEZNQCLSA-N 0 3 376.523 0.538 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cnc(Cl)n2C)CC1 ZINC000769439982 640774465 /nfs/dbraw/zinc/77/44/65/640774465.db2.gz FTADYWXWVDMGLZ-LLVKDONJSA-N 0 3 375.882 0.001 20 0 GCADHN 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/nfs/dbraw/zinc/57/88/92/641578892.db2.gz MLIJZGCASXMHOG-LBPRGKRZSA-N 0 3 393.241 0.542 20 0 GCADHN O=S(=O)([N-]CC[NH2+]CC1CCS(=O)(=O)CC1)c1ccc(F)cc1F ZINC000877498811 641581188 /nfs/dbraw/zinc/58/11/88/641581188.db2.gz JVLHVIGYIATFEK-UHFFFAOYSA-N 0 3 382.454 0.658 20 0 GCADHN Cn1cc(I)c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000878544977 641596309 /nfs/dbraw/zinc/59/63/09/641596309.db2.gz NTVRRPCVOSXNIZ-VHSXEESVSA-N 0 3 390.225 0.618 20 0 GCADHN Cn1ncc(Br)c1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000878724125 641600102 /nfs/dbraw/zinc/60/01/02/641600102.db2.gz VFJRBDZIEXGEPY-UHFFFAOYSA-N 0 3 398.305 0.492 20 0 GCADHN COC1CCN(CCNC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)CC1 ZINC000879104267 641607370 /nfs/dbraw/zinc/60/73/70/641607370.db2.gz IQFXBURCPMOOJX-LLVKDONJSA-N 0 3 386.543 0.879 20 0 GCADHN COC1CCN(CCNC(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)CC1 ZINC000879104270 641607432 /nfs/dbraw/zinc/60/74/32/641607432.db2.gz IQFXBURCPMOOJX-NSHDSACASA-N 0 3 386.543 0.879 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CCC[C@@H](C(C)(C)O)C1)S(C)(=O)=O ZINC000879961584 641623439 /nfs/dbraw/zinc/62/34/39/641623439.db2.gz GMVWMORQQAEYTP-OAHLLOKOSA-N 0 3 377.551 0.646 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCC1)c1ccc(-n2cc(Br)cn2)nn1 ZINC000879997015 641624189 /nfs/dbraw/zinc/62/41/89/641624189.db2.gz DTCGJLVTEVNULX-GFCCVEGCSA-N 0 3 395.261 0.611 20 0 GCADHN CC[C@H](Sc1nc(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cs1)C(N)=O ZINC000880619839 641635098 /nfs/dbraw/zinc/63/50/98/641635098.db2.gz HXINKOHZWWLRRW-XQQFMLRXSA-N 0 3 384.527 0.319 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000806475607 641648943 /nfs/dbraw/zinc/64/89/43/641648943.db2.gz FCZXBEVWIDYWMW-KBPBESRZSA-N 0 3 375.560 0.520 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881849361 641659189 /nfs/dbraw/zinc/65/91/89/641659189.db2.gz PCCHOKCATMQHMI-QKFKETGDSA-N 0 3 383.584 0.154 20 0 GCADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000881849360 641659396 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ZINC000661975528 1192209157 /nfs/dbraw/zinc/20/91/57/1192209157.db2.gz NPIXVDQPRUPFRI-QGZVFWFLSA-N 0 3 390.484 0.978 20 0 GCADHN Cn1cc(N2CC[C@H](NC(=O)NC3CCN([C@H]4CCOC4)CC3)C2=O)cn1 ZINC000661981722 1192211286 /nfs/dbraw/zinc/21/12/86/1192211286.db2.gz SXDFBJAIINOJPQ-HOCLYGCPSA-N 0 3 376.461 0.078 20 0 GCADHN CC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000049279562 1192213652 /nfs/dbraw/zinc/21/36/52/1192213652.db2.gz SHQBTWWFPHPTOF-UHFFFAOYSA-N 0 3 375.473 0.646 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2C2CCCCC2)CC1=O ZINC000652403563 1192213778 /nfs/dbraw/zinc/21/37/78/1192213778.db2.gz VWNMLZJFWABICR-QGZVFWFLSA-N 0 3 378.517 0.790 20 0 GCADHN COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000893541658 1192215255 /nfs/dbraw/zinc/21/52/55/1192215255.db2.gz QXWYBZGBRDXGFA-SQNIBIBYSA-N 0 3 392.500 0.930 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(Cl)cc(F)c2N)CC1=O ZINC000647721183 1192215937 /nfs/dbraw/zinc/21/59/37/1192215937.db2.gz 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CN(C)CCN1CCN(C(=O)C(=O)N2CCC(c3ccsc3)CC2)CC1=O ZINC000652465883 1192227583 /nfs/dbraw/zinc/22/75/83/1192227583.db2.gz NQFCEZZCXSFWPP-UHFFFAOYSA-N 0 3 392.525 0.687 20 0 GCADHN Cc1ncccc1CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000636673879 1192243403 /nfs/dbraw/zinc/24/34/03/1192243403.db2.gz RHEGXJWKJXQZDM-MRXNPFEDSA-N 0 3 375.473 0.065 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N1C[C@@H](C)[C@@](C)(CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000662142836 1192246021 /nfs/dbraw/zinc/24/60/21/1192246021.db2.gz MVNJQEMNWRXLTO-KHSSZTOVSA-N 0 3 383.514 0.850 20 0 GCADHN Cc1ncc([C@H](C)NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000636675145 1192251604 /nfs/dbraw/zinc/25/16/04/1192251604.db2.gz UYYAPKNNEZIZTH-GXTWGEPZSA-N 0 3 395.529 0.688 20 0 GCADHN COCCC1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000636675167 1192252311 /nfs/dbraw/zinc/25/23/11/1192252311.db2.gz VGEHTYXWRQGNCI-QGZVFWFLSA-N 0 3 396.532 0.320 20 0 GCADHN O=C(NCCN1CC[C@@H](O)C1)NCc1ccccc1OCCN1CCOCC1 ZINC000636682952 1192262950 /nfs/dbraw/zinc/26/29/50/1192262950.db2.gz WEDCYISDYFFQJU-GOSISDBHSA-N 0 3 392.500 0.263 20 0 GCADHN CCOC[C@H]1CN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)CCO1 ZINC000636699644 1192269244 /nfs/dbraw/zinc/26/92/44/1192269244.db2.gz QFVOOOWCGPLAEH-MRXNPFEDSA-N 0 3 385.505 0.256 20 0 GCADHN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3CN(C)CCN3C)C2)cc1 ZINC000636702841 1192272597 /nfs/dbraw/zinc/27/25/97/1192272597.db2.gz ZUBPGDSTGAIDTN-RBUKOAKNSA-N 0 3 387.528 0.048 20 0 GCADHN CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)NCC1CC1 ZINC001719826155 1192273415 /nfs/dbraw/zinc/27/34/15/1192273415.db2.gz QDKKNBIQULRTFA-LTIDMASMSA-N 0 3 376.501 0.634 20 0 GCADHN C[C@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ccn[nH]1 ZINC001719828171 1192284794 /nfs/dbraw/zinc/28/47/94/1192284794.db2.gz OEIPCRRYDQEPTE-SIXLDLHFSA-N 0 3 375.473 0.169 20 0 GCADHN C[C@H]1CN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C[C@@H](CO)O1 ZINC000188585443 1192286442 /nfs/dbraw/zinc/28/64/42/1192286442.db2.gz YHIZKSXYGNUQTD-LPHOPBHVSA-N 0 3 376.501 0.725 20 0 GCADHN CCN(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(=O)C1CC1)C2 ZINC001719833754 1192302775 /nfs/dbraw/zinc/30/27/75/1192302775.db2.gz XUHBYOWLJNOZLT-PMPSAXMXSA-N 0 3 378.517 0.833 20 0 GCADHN C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000980126394 1192307803 /nfs/dbraw/zinc/30/78/03/1192307803.db2.gz PSTKEJBDPNDJSO-FJANGAQTSA-N 0 3 379.501 0.391 20 0 GCADHN CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000662525998 1192310710 /nfs/dbraw/zinc/31/07/10/1192310710.db2.gz NUOSJSIFKJFKRH-OAHLLOKOSA-N 0 3 391.497 0.784 20 0 GCADHN CCN1CCN(CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000663385754 1192316347 /nfs/dbraw/zinc/31/63/47/1192316347.db2.gz LRJGPNZNZFIGSG-UHFFFAOYSA-N 0 3 396.561 0.067 20 0 GCADHN C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C1CCC1)C2)N1CCOCC1 ZINC001719836692 1192317840 /nfs/dbraw/zinc/31/78/40/1192317840.db2.gz JYHCGJKLTJCNQR-RANZSIQMSA-N 0 3 378.517 0.440 20 0 GCADHN C[C@H](CNC(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1)CN1CCN(C)CC1 ZINC000636847061 1192327662 /nfs/dbraw/zinc/32/76/62/1192327662.db2.gz LXTCYGBEPMNXBQ-WBVHZDCISA-N 0 3 379.549 0.816 20 0 GCADHN CC[C@@H](NC[C@@H](O)COc1ccc(NC(C)=O)cc1)C(=O)N1CCOCC1 ZINC000570955532 1192331209 /nfs/dbraw/zinc/33/12/09/1192331209.db2.gz CIOMENYOLLCTIS-SJLPKXTDSA-N 0 3 379.457 0.612 20 0 GCADHN CNC(=O)[C@@H](NC(=O)CN1CCN(C2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000278888031 1192331481 /nfs/dbraw/zinc/33/14/81/1192331481.db2.gz PXXXBOFRCQODCE-JXFKEZNVSA-N 0 3 388.512 0.775 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000663423597 1192332423 /nfs/dbraw/zinc/33/24/23/1192332423.db2.gz YESKDHFWHULOLB-UHFFFAOYSA-N 0 3 378.473 0.662 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)C[C@@H]1O ZINC000663448905 1192340765 /nfs/dbraw/zinc/34/07/65/1192340765.db2.gz MGFCEUQCAYJSQY-JYJNAYRXSA-N 0 3 381.546 0.353 20 0 GCADHN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000623070714 1192348945 /nfs/dbraw/zinc/34/89/45/1192348945.db2.gz OXQOJPSYUKCNDO-HNNXBMFYSA-N 0 3 382.432 0.890 20 0 GCADHN Cn1c(=O)cc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)n(C)c1=O ZINC000663485518 1192357153 /nfs/dbraw/zinc/35/71/53/1192357153.db2.gz TXAGMIIIXJUBGH-QGZVFWFLSA-N 0 3 398.511 0.518 20 0 GCADHN CC(C)(C)n1ncc2c1nc(N1CCN(C(=O)CN3CCCC3)CC1)nc2N ZINC000663537991 1192378419 /nfs/dbraw/zinc/37/84/19/1192378419.db2.gz DTHNWFKSLVOJNJ-UHFFFAOYSA-N 0 3 386.504 0.908 20 0 GCADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000655529359 1192376437 /nfs/dbraw/zinc/37/64/37/1192376437.db2.gz VTHIKANDLZBGGG-HZPDHXFCSA-N 0 3 389.500 0.510 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1 ZINC000604866641 1192388279 /nfs/dbraw/zinc/38/82/79/1192388279.db2.gz QBRGJVVUWWSDHI-OAHLLOKOSA-N 0 3 384.484 0.727 20 0 GCADHN Cc1nn(C)c(C)c1[C@H]1[C@H](NC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC(=O)N1C ZINC000431947610 1192394259 /nfs/dbraw/zinc/39/42/59/1192394259.db2.gz ALEPJFPICXREOY-JDXZSFBQSA-N 0 3 393.532 0.368 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)c2cnn(C[C@@H](O)CO)c2)c1 ZINC000613931531 1192395080 /nfs/dbraw/zinc/39/50/80/1192395080.db2.gz OVGHORBEWJGQIF-QGZVFWFLSA-N 0 3 376.457 0.449 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000585717032 1192396146 /nfs/dbraw/zinc/39/61/46/1192396146.db2.gz WKYRASXDHVRGKX-GJZGRUSLSA-N 0 3 383.489 0.404 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000585717031 1192396262 /nfs/dbraw/zinc/39/62/62/1192396262.db2.gz WKYRASXDHVRGKX-CABCVRRESA-N 0 3 383.489 0.404 20 0 GCADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000585716911 1192396411 /nfs/dbraw/zinc/39/64/11/1192396411.db2.gz DFTKLHLXMUENPG-CHWSQXEVSA-N 0 3 380.411 0.950 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000585719095 1192397356 /nfs/dbraw/zinc/39/73/56/1192397356.db2.gz REXDKIJBHQORIW-HUUCEWRRSA-N 0 3 383.489 0.546 20 0 GCADHN C[C@@H]1CN(c2ccc(CNC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cn2)C[C@@H](C)O1 ZINC000663589382 1192405121 /nfs/dbraw/zinc/40/51/21/1192405121.db2.gz JDBHVHGXQPSQKV-JHNDHUHGSA-N 0 3 377.489 0.512 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000585777659 1192408928 /nfs/dbraw/zinc/40/89/28/1192408928.db2.gz URQRTRYDAPPAMY-PMPSAXMXSA-N 0 3 397.516 0.792 20 0 GCADHN C[C@@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)NC(=O)c1ccccc1 ZINC000153202925 1192406861 /nfs/dbraw/zinc/40/68/61/1192406861.db2.gz VQFLZYBVNMKXDQ-WMZOPIPTSA-N 0 3 386.496 0.960 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000585769414 1192408188 /nfs/dbraw/zinc/40/81/88/1192408188.db2.gz LRMBAEWHSVWNKG-UHFFFAOYSA-N 0 3 396.532 0.320 20 0 GCADHN Cc1nn(C)c2nc(C)cc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c12 ZINC000153208439 1192410639 /nfs/dbraw/zinc/41/06/39/1192410639.db2.gz ZKYLJSALZVLLKL-INIZCTEOSA-N 0 3 384.484 0.964 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000153218913 1192412655 /nfs/dbraw/zinc/41/26/55/1192412655.db2.gz NANYKBCLMIZJGF-SJORKVTESA-N 0 3 386.500 0.608 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nccn1C ZINC001719850644 1192417954 /nfs/dbraw/zinc/41/79/54/1192417954.db2.gz OEGYKDPLAXYGCT-PMPSAXMXSA-N 0 3 377.489 0.527 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000663640171 1192439177 /nfs/dbraw/zinc/43/91/77/1192439177.db2.gz BYFNEUNVWJBIAP-QGZVFWFLSA-N 0 3 395.529 0.615 20 0 GCADHN CN1CCN(CCCNC(=O)N2CCC(O)(CO)CC2)[C@@H](c2ccccc2)C1 ZINC000663647374 1192446285 /nfs/dbraw/zinc/44/62/85/1192446285.db2.gz UILNXSGYSQVYBJ-LJQANCHMSA-N 0 3 390.528 0.894 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000512121490 1192460390 /nfs/dbraw/zinc/46/03/90/1192460390.db2.gz ZBCZVTFQFHTGCI-QWHCGFSZSA-N 0 3 394.497 0.219 20 0 GCADHN COc1ccc(COC[C@@H](O)CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000279140453 1192472977 /nfs/dbraw/zinc/47/29/77/1192472977.db2.gz XKUKATVKDHDNQN-IFXJQAMLSA-N 0 3 393.440 0.255 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000663676470 1192476428 /nfs/dbraw/zinc/47/64/28/1192476428.db2.gz LWWFASLSMCJRFL-UHFFFAOYSA-N 0 3 384.502 0.252 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000663698371 1192494729 /nfs/dbraw/zinc/49/47/29/1192494729.db2.gz VTRFFJMUJCEGAM-KRWDZBQOSA-N 0 3 395.529 0.442 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)CC1 ZINC000279259611 1192495542 /nfs/dbraw/zinc/49/55/42/1192495542.db2.gz JDGDYAUFERJNPT-PXNSSMCTSA-N 0 3 378.517 0.298 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000432524156 1192508954 /nfs/dbraw/zinc/50/89/54/1192508954.db2.gz PVZUICJWCQAJMC-UHFFFAOYSA-N 0 3 388.512 0.933 20 0 GCADHN CCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1 ZINC001745432449 1192509686 /nfs/dbraw/zinc/50/96/86/1192509686.db2.gz CMCKZIFBCKJFJQ-CQSZACIVSA-N 0 3 382.534 0.530 20 0 GCADHN CCOC(=O)c1ncn(C2CCN(CCN3C(=O)NC(C)(C)C3=O)CC2)c1N ZINC000279305940 1192513152 /nfs/dbraw/zinc/51/31/52/1192513152.db2.gz QXJFTZIGFCRQTH-UHFFFAOYSA-N 0 3 392.460 0.609 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000663724188 1192514872 /nfs/dbraw/zinc/51/48/72/1192514872.db2.gz MXAWWKZFSBOCIA-UHFFFAOYSA-N 0 3 380.445 0.456 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000663724256 1192515235 /nfs/dbraw/zinc/51/52/35/1192515235.db2.gz BRNXCEUUJQVMEC-UHFFFAOYSA-N 0 3 389.500 0.740 20 0 GCADHN CC[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccccc1OCC(=O)NC ZINC000663734315 1192517479 /nfs/dbraw/zinc/51/74/79/1192517479.db2.gz MOBRILIJRBOJQJ-PMPSAXMXSA-N 0 3 378.473 0.579 20 0 GCADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000637374485 1192519052 /nfs/dbraw/zinc/51/90/52/1192519052.db2.gz DPLKVXRAGLVIES-SJORKVTESA-N 0 3 381.521 0.223 20 0 GCADHN CC1(O)CCN(c2cc(N3CCC(N4CCC[C@H]4C(N)=O)CC3)ncn2)CC1 ZINC000663739852 1192519321 /nfs/dbraw/zinc/51/93/21/1192519321.db2.gz PHJKPJMLOJEXHB-INIZCTEOSA-N 0 3 388.516 0.746 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000728905302 1192529832 /nfs/dbraw/zinc/52/98/32/1192529832.db2.gz ILODBIQGJJAMBP-UHFFFAOYSA-N 0 3 379.505 0.685 20 0 GCADHN CC(=O)N1CCc2cc(C(=O)NCCCCN3CCN(CCO)CC3)ccc21 ZINC000432533874 1192538556 /nfs/dbraw/zinc/53/85/56/1192538556.db2.gz ALMWIIRVLSWGHI-UHFFFAOYSA-N 0 3 388.512 0.716 20 0 GCADHN CN(CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)Cc1ccccc1 ZINC000279412292 1192538618 /nfs/dbraw/zinc/53/86/18/1192538618.db2.gz WCFGAFGJDJMLAA-RBUKOAKNSA-N 0 3 385.468 0.567 20 0 GCADHN O=C(Cc1ccc(-n2cccn2)cc1)NCCCCN1CCN(CCO)CC1 ZINC000432542739 1192548274 /nfs/dbraw/zinc/54/82/74/1192548274.db2.gz QMAZFHRVFJWUSN-UHFFFAOYSA-N 0 3 385.512 0.921 20 0 GCADHN CCN(C)C(=O)c1cccc(C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000432546021 1192549133 /nfs/dbraw/zinc/54/91/33/1192549133.db2.gz LXRMFRYCUDVAFB-UHFFFAOYSA-N 0 3 390.528 0.898 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 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GCADHN O=C(NCc1cccc(NC(=O)c2ccncc2)c1)C(=O)N1CCCNCC1 ZINC000418929313 1192693616 /nfs/dbraw/zinc/69/36/16/1192693616.db2.gz ZUXPFVIYRADTGN-UHFFFAOYSA-N 0 3 381.436 0.772 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCN(C)c1ccccc1F ZINC000418937689 1192697457 /nfs/dbraw/zinc/69/74/57/1192697457.db2.gz OWXDXQVSJQJRRF-DZGCQCFKSA-N 0 3 380.464 0.997 20 0 GCADHN CC1(C)CN(c2cnc(N3CCN(CCO)C(C)(C)C3)cn2)CCN1CCO ZINC000663833228 1192699898 /nfs/dbraw/zinc/69/98/98/1192699898.db2.gz PDFNOLKHHPWONS-UHFFFAOYSA-N 0 3 392.548 0.262 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000418973249 1192706143 /nfs/dbraw/zinc/70/61/43/1192706143.db2.gz QGPVXHRXAYSFNA-DGCLKSJQSA-N 0 3 375.429 0.087 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc2c(c1)OCCO2 ZINC000418981739 1192709253 /nfs/dbraw/zinc/70/92/53/1192709253.db2.gz GYODPBQTMCHGRL-YOEHRIQHSA-N 0 3 377.441 0.376 20 0 GCADHN CC(C)C[C@H](N)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000236705851 1192714401 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ZINC000237833452 1192765604 /nfs/dbraw/zinc/76/56/04/1192765604.db2.gz CRPRCELVECHOOL-CTNGQTDRSA-N 0 3 397.523 0.982 20 0 GCADHN N[C@H](CC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccccc1 ZINC000237840577 1192765994 /nfs/dbraw/zinc/76/59/94/1192765994.db2.gz RODDIMADORUTBJ-MRXNPFEDSA-N 0 3 378.454 0.739 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC3(CCCC3)C2)CC1 ZINC000410624898 1192766412 /nfs/dbraw/zinc/76/64/12/1192766412.db2.gz MBLMCDWKBKZSLF-QGZVFWFLSA-N 0 3 390.528 0.934 20 0 GCADHN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1=O ZINC000419073421 1192769568 /nfs/dbraw/zinc/76/95/68/1192769568.db2.gz YGCAQVUACDGCOW-HZPDHXFCSA-N 0 3 396.447 0.733 20 0 GCADHN CC(C)[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000410628745 1192771523 /nfs/dbraw/zinc/77/15/23/1192771523.db2.gz YTMWRWIKLFVXDT-DLBZAZTESA-N 0 3 378.517 0.646 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[C@H](C)O)CC1 ZINC000410633998 1192774851 /nfs/dbraw/zinc/77/48/51/1192774851.db2.gz 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C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000419086997 1192783851 /nfs/dbraw/zinc/78/38/51/1192783851.db2.gz PBCVYGUYVLFCOL-XGUBFFRZSA-N 0 3 384.521 0.220 20 0 GCADHN C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419093528 1192787295 /nfs/dbraw/zinc/78/72/95/1192787295.db2.gz YGJUDOIAUDUDQX-BLLLJJGKSA-N 0 3 377.466 0.505 20 0 GCADHN CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H](N)c3ccccc3)C2)ncn1 ZINC000419092924 1192787306 /nfs/dbraw/zinc/78/73/06/1192787306.db2.gz IFYOABNKFBAFCJ-QZTJIDSGSA-N 0 3 396.495 0.940 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)c1ccc(F)cc1 ZINC000419104095 1192791751 /nfs/dbraw/zinc/79/17/51/1192791751.db2.gz MHKBANIUIYGBOO-DYVFJYSZSA-N 0 3 388.447 0.959 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1CNCCO1)OC(C)C ZINC000419103436 1192790904 /nfs/dbraw/zinc/79/09/04/1192790904.db2.gz GAHIXYRMWDZSTB-PBHICJAKSA-N 0 3 379.457 0.382 20 0 GCADHN COc1ccc(OC)c(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419106390 1192793025 /nfs/dbraw/zinc/79/30/25/1192793025.db2.gz OLVXXTQQMAZEAJ-DOMZBBRYSA-N 0 3 379.457 0.592 20 0 GCADHN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)C(=O)N1CCCNCC1 ZINC000419112216 1192799012 /nfs/dbraw/zinc/79/90/12/1192799012.db2.gz UOWZVOHOYQLCGZ-UHFFFAOYSA-N 0 3 393.919 0.400 20 0 GCADHN CCC(CC)[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)N1CCOCC1 ZINC000419117311 1192801668 /nfs/dbraw/zinc/80/16/68/1192801668.db2.gz MEIDQALFVTZVMH-UAGQMJEPSA-N 0 3 398.548 0.469 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000419146432 1192814768 /nfs/dbraw/zinc/81/47/68/1192814768.db2.gz AYTAYYZXKLQHGG-GXTWGEPZSA-N 0 3 377.441 0.693 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccc(OCC2CC2)c(F)c1 ZINC000419160781 1192819745 /nfs/dbraw/zinc/81/97/45/1192819745.db2.gz IAHVGVVYPQTSGV-SWLSCSKDSA-N 0 3 379.432 0.896 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccccc1Cl ZINC000419164994 1192822983 /nfs/dbraw/zinc/82/29/83/1192822983.db2.gz NNQCEMMRXVBAFV-RISCZKNCSA-N 0 3 396.875 0.415 20 0 GCADHN CCC[C@H]1CNCCN1C(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000419162132 1192820999 /nfs/dbraw/zinc/82/09/99/1192820999.db2.gz TUVYBBNSFLHWGG-KRWDZBQOSA-N 0 3 388.516 0.050 20 0 GCADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893722519 1192822462 /nfs/dbraw/zinc/82/24/62/1192822462.db2.gz HGRSEGJWGNPVBO-KKUMJFAQSA-N 0 3 388.534 0.369 20 0 GCADHN CC[C@@H]1CCCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000410681409 1192824104 /nfs/dbraw/zinc/82/41/04/1192824104.db2.gz IWEWHCNZMHXXJH-QGZVFWFLSA-N 0 3 378.517 0.934 20 0 GCADHN CC[C@H]1CCCCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410681530 1192824460 /nfs/dbraw/zinc/82/44/60/1192824460.db2.gz GKIMMHXAYLKEGD-DLBZAZTESA-N 0 3 378.517 0.933 20 0 GCADHN CC(=O)Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419171307 1192826065 /nfs/dbraw/zinc/82/60/65/1192826065.db2.gz OWTKEOKEIDBZHQ-LRDDRELGSA-N 0 3 376.457 0.533 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000419195636 1192832903 /nfs/dbraw/zinc/83/29/03/1192832903.db2.gz YHRBVYURCBYAEW-YPMHNXCESA-N 0 3 384.839 0.279 20 0 GCADHN C[C@@H]1CN(C2CCN(C(=O)C(=O)N3C[C@H]4CCCCN4C[C@H]3C)CC2)CCO1 ZINC000410698008 1192836743 /nfs/dbraw/zinc/83/67/43/1192836743.db2.gz MKDOZWJRYQYXIY-ZHALLVOQSA-N 0 3 392.544 0.783 20 0 GCADHN C[C@@H]1CN(C2CCN(C(=O)C(=O)N3C[C@@H]4CCCCN4C[C@H]3C)CC2)CCO1 ZINC000410698005 1192836879 /nfs/dbraw/zinc/83/68/79/1192836879.db2.gz MKDOZWJRYQYXIY-LMMKCTJWSA-N 0 3 392.544 0.783 20 0 GCADHN Cc1ccn(C[C@@](C)(O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(=O)c1 ZINC000279934196 1192839981 /nfs/dbraw/zinc/83/99/81/1192839981.db2.gz WSQUWJMOLZAQGZ-DENIHFKCSA-N 0 3 399.491 0.443 20 0 GCADHN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000419202730 1192846040 /nfs/dbraw/zinc/84/60/40/1192846040.db2.gz GVJFICWEPBCKSG-KRWDZBQOSA-N 0 3 394.903 0.651 20 0 GCADHN COC(=O)CC1(NCC(=O)NCCCN2CCCCCC2=O)CCOCC1 ZINC000473295429 1192857750 /nfs/dbraw/zinc/85/77/50/1192857750.db2.gz XDSWWEQZUQKRTN-UHFFFAOYSA-N 0 3 383.489 0.597 20 0 GCADHN C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)NCCN1CCCCC1 ZINC000549729324 1192862762 /nfs/dbraw/zinc/86/27/62/1192862762.db2.gz WBZOVWANFWFKAU-MRXNPFEDSA-N 0 3 399.495 0.893 20 0 GCADHN COc1cccc(C[C@H](O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000473310443 1192863815 /nfs/dbraw/zinc/86/38/15/1192863815.db2.gz PSSSDNKHMUMHGE-MSOLQXFVSA-N 0 3 377.485 0.658 20 0 GCADHN CN1CCN(CCNC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC000549739939 1192866625 /nfs/dbraw/zinc/86/66/25/1192866625.db2.gz JYZJXEROESGCKZ-GOSISDBHSA-N 0 3 390.532 0.381 20 0 GCADHN CN1CCN(CCNC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000549739939 1192866631 /nfs/dbraw/zinc/86/66/31/1192866631.db2.gz JYZJXEROESGCKZ-GOSISDBHSA-N 0 3 390.532 0.381 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000473342931 1192871157 /nfs/dbraw/zinc/87/11/57/1192871157.db2.gz GVTRZMSPRLTLIP-OAHLLOKOSA-N 0 3 387.440 0.277 20 0 GCADHN CCn1cc(CNC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)nn1 ZINC000894016663 1192893495 /nfs/dbraw/zinc/89/34/95/1192893495.db2.gz CWPVOLBTOXRELY-HNNXBMFYSA-N 0 3 386.504 0.234 20 0 GCADHN C[C@H]1CCC[C@@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000575238500 1192901866 /nfs/dbraw/zinc/90/18/66/1192901866.db2.gz IFRGODIBAQDZPQ-ZWKOTPCHSA-N 0 3 382.549 0.578 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCCc1nc2ccccc2[nH]1 ZINC000512579147 1192909899 /nfs/dbraw/zinc/90/98/99/1192909899.db2.gz VJHADAQJIXBCIQ-UHFFFAOYSA-N 0 3 388.516 0.795 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCn3cncc3C2)c1 ZINC000410876067 1192910763 /nfs/dbraw/zinc/91/07/63/1192910763.db2.gz FSOLHFRMAZDKQY-UHFFFAOYSA-N 0 3 385.468 0.824 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@@H](CO)C2)c1 ZINC000410876380 1192910770 /nfs/dbraw/zinc/91/07/70/1192910770.db2.gz IGMOZOUFJQGKBT-QGZVFWFLSA-N 0 3 377.485 0.816 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCn3cnnc3C2)c1 ZINC000410876594 1192910900 /nfs/dbraw/zinc/91/09/00/1192910900.db2.gz KUDNKBWSJTUPIT-UHFFFAOYSA-N 0 3 386.456 0.219 20 0 GCADHN O=C1N[C@@H](CN2CCCCC2)C(=O)N1C[C@@H](N1CCOCC1)C(F)(F)F ZINC000924862553 1192911207 /nfs/dbraw/zinc/91/12/07/1192911207.db2.gz WKKYECFEYIODMJ-QWHCGFSZSA-N 0 3 378.395 0.656 20 0 GCADHN CCN(C(=O)C(=O)N1CCO[C@@H](CN(C)C)C1)[C@@H](COC)Cc1ccccc1 ZINC000410882589 1192912774 /nfs/dbraw/zinc/91/27/74/1192912774.db2.gz JBNSIQZLMRTOFT-MOPGFXCFSA-N 0 3 391.512 0.882 20 0 GCADHN C[C@H]1CN(CCC2CCN(C(=O)C(=O)N(C)CCC(N)=O)CC2)C[C@H](C)O1 ZINC000410894864 1192912837 /nfs/dbraw/zinc/91/28/37/1192912837.db2.gz CYAHTHZQXYGVBW-GJZGRUSLSA-N 0 3 382.505 0.058 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]2(CO)Cc2ccccc2)CCO1 ZINC000410971749 1192921026 /nfs/dbraw/zinc/92/10/26/1192921026.db2.gz RAYGPSBBSIRIMA-NQIIRXRSSA-N 0 3 389.496 0.372 20 0 GCADHN CCCNC(=O)c1ccc(NC(=O)C(=O)NCCN(CC)CCO)cc1Cl ZINC000274491419 1184075223 /nfs/dbraw/zinc/07/52/23/1184075223.db2.gz SUTHRLYKNMVGRY-UHFFFAOYSA-N 0 3 398.891 0.849 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000274501706 1184079067 /nfs/dbraw/zinc/07/90/67/1184079067.db2.gz FAJSGGWYHYONRF-HZPDHXFCSA-N 0 3 383.489 0.399 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 ZINC000274508614 1184081796 /nfs/dbraw/zinc/08/17/96/1184081796.db2.gz GMNWGDFBEQILRV-CQSZACIVSA-N 0 3 379.457 0.487 20 0 GCADHN CCN1CCN(CCC(=O)N[C@@H](C(=O)OC)c2ccc3c(c2)CCO3)CC1 ZINC000274511571 1184082191 /nfs/dbraw/zinc/08/21/91/1184082191.db2.gz HCDBWXBIGKUKRH-LJQANCHMSA-N 0 3 375.469 0.979 20 0 GCADHN CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NCCN(CC)CCO)cc1 ZINC000274510549 1184082219 /nfs/dbraw/zinc/08/22/19/1184082219.db2.gz WMLZLZBCYYHFBJ-UHFFFAOYSA-N 0 3 380.445 0.648 20 0 GCADHN C/C=C/C[C@H](CO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000274518412 1184084808 /nfs/dbraw/zinc/08/48/08/1184084808.db2.gz MWGAHKDVCZPKOC-ISZGNANSSA-N 0 3 390.440 0.538 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 ZINC000274544429 1184093473 /nfs/dbraw/zinc/09/34/73/1184093473.db2.gz LMLYTHXGZRDBIM-UHFFFAOYSA-N 0 3 387.502 0.426 20 0 GCADHN CCN(CCO)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000274549475 1184095074 /nfs/dbraw/zinc/09/50/74/1184095074.db2.gz MLXQXTRXUARPHS-LJQANCHMSA-N 0 3 376.457 0.192 20 0 GCADHN CCC[C@@H](O)[C@H](CO)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000413355726 1184096204 /nfs/dbraw/zinc/09/62/04/1184096204.db2.gz SIHOILLAOGQZNL-RBUKOAKNSA-N 0 3 379.501 0.964 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H](Cc1cccc(OC)c1)n1nnnc1C ZINC000274555858 1184097964 /nfs/dbraw/zinc/09/79/64/1184097964.db2.gz NUVJABADUSTQHY-QGZVFWFLSA-N 0 3 376.461 0.204 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cn1 ZINC000274562721 1184100311 /nfs/dbraw/zinc/10/03/11/1184100311.db2.gz XOWSJMPAINLFIS-OAHLLOKOSA-N 0 3 377.489 0.950 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccnc1OCC(F)F ZINC000274564916 1184100748 /nfs/dbraw/zinc/10/07/48/1184100748.db2.gz YCBMQPQUFBHLIT-ZDUSSCGKSA-N 0 3 399.442 0.806 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000274572534 1184107345 /nfs/dbraw/zinc/10/73/45/1184107345.db2.gz ZHQXYHUGZYLVGR-OAHLLOKOSA-N 0 3 390.484 0.862 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594080 1184112596 /nfs/dbraw/zinc/11/25/96/1184112596.db2.gz KSBCLHOCWJGDBL-NVXWUHKLSA-N 0 3 382.530 0.406 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)CN3CCN(CC)C(=O)C3=O)c2)CC1 ZINC000274603733 1184115945 /nfs/dbraw/zinc/11/59/45/1184115945.db2.gz MBHOXHUULVUFMK-UHFFFAOYSA-N 0 3 387.484 0.458 20 0 GCADHN CCN(CCO)CCNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000274603788 1184116089 /nfs/dbraw/zinc/11/60/89/1184116089.db2.gz XLWQBSXDYCHBSM-ZACQAIPSSA-N 0 3 379.501 0.783 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)ccc3OC(F)F)CCN2C1=O ZINC000579734139 1184120199 /nfs/dbraw/zinc/12/01/99/1184120199.db2.gz JKJYWBQJNAPHGV-VHSXEESVSA-N 0 3 386.330 0.136 20 0 GCADHN CCOCCOc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000579735358 1184120893 /nfs/dbraw/zinc/12/08/93/1184120893.db2.gz YYLLNNVRJDGZOU-CJNGLKHVSA-N 0 3 383.470 0.034 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCNC(=O)N(C)C)cc2)CC1 ZINC000784903589 1184124548 /nfs/dbraw/zinc/12/45/48/1184124548.db2.gz XCXCIJYKSMCXTR-UHFFFAOYSA-N 0 3 390.488 0.154 20 0 GCADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H](C)C1 ZINC000579747360 1184124803 /nfs/dbraw/zinc/12/48/03/1184124803.db2.gz KOPXUUUHKXCQCC-ZENOOKHLSA-N 0 3 385.468 0.435 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000579745768 1184124997 /nfs/dbraw/zinc/12/49/97/1184124997.db2.gz FEXRZMHEDYDSJQ-MRXNPFEDSA-N 0 3 379.530 0.778 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000274649058 1184144051 /nfs/dbraw/zinc/14/40/51/1184144051.db2.gz WKVHIACNCRWRIU-VBKZILBWSA-N 0 3 387.484 0.497 20 0 GCADHN Cn1ccc(N2CCC[C@@H](N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001020406313 1184156148 /nfs/dbraw/zinc/15/61/48/1184156148.db2.gz QQETYMUDVHFXGW-PSKDEXIXSA-N 0 3 399.495 0.576 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCN(C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000274657706 1184159359 /nfs/dbraw/zinc/15/93/59/1184159359.db2.gz OUORCKCMEJHLLB-QGZVFWFLSA-N 0 3 375.517 0.287 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000274660915 1184166689 /nfs/dbraw/zinc/16/66/89/1184166689.db2.gz NGBGNKJGCJPYSV-MRXNPFEDSA-N 0 3 378.473 0.280 20 0 GCADHN CCCCOc1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)cn1 ZINC000274674042 1184177295 /nfs/dbraw/zinc/17/72/95/1184177295.db2.gz IESKIFQSQBRSIS-UHFFFAOYSA-N 0 3 377.489 0.953 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCC[C@H](CNS(C)(=O)=O)C1)c1ccccc1 ZINC000274688736 1184186252 /nfs/dbraw/zinc/18/62/52/1184186252.db2.gz ZKETVMLRGCYSIK-SJLPKXTDSA-N 0 3 396.557 0.667 20 0 GCADHN C[C@H](NC(=O)CN1CCN(S(C)(=O)=O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000274697480 1184194483 /nfs/dbraw/zinc/19/44/83/1184194483.db2.gz MUDPUDDPYQOIBN-YJBOKZPZSA-N 0 3 382.530 0.371 20 0 GCADHN COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000274699531 1184195703 /nfs/dbraw/zinc/19/57/03/1184195703.db2.gz XZYDUEVYYDAILD-HNNXBMFYSA-N 0 3 392.500 0.576 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)CN3CCC(C)(C)C3)CC2)cn1C ZINC000654922744 1184210298 /nfs/dbraw/zinc/21/02/98/1184210298.db2.gz NCYKGAYQZLXGCD-UHFFFAOYSA-N 0 3 383.518 0.293 20 0 GCADHN Cc1cccc(N2CCN(C(=O)CSc3nnnn3CCN(C)C)CC2)c1 ZINC000510069977 1184215895 /nfs/dbraw/zinc/21/58/95/1184215895.db2.gz HHUDDQNUKZPSMU-UHFFFAOYSA-N 0 3 389.529 0.984 20 0 GCADHN O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654949524 1184220277 /nfs/dbraw/zinc/22/02/77/1184220277.db2.gz VZBNIHHJOCINIB-JZXOWHBKSA-N 0 3 386.452 0.983 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000654949481 1184220679 /nfs/dbraw/zinc/22/06/79/1184220679.db2.gz VNBJQTOHBLICLF-CVEARBPZSA-N 0 3 394.497 0.666 20 0 GCADHN Cn1c2ccc(NC(=O)C(=O)N[C@H]3CCCN4CCCC[C@H]34)cc2n(C)c1=O ZINC000654946316 1184221612 /nfs/dbraw/zinc/22/16/12/1184221612.db2.gz IWIFZWGWKPUJSX-LSDHHAIUSA-N 0 3 385.468 0.949 20 0 GCADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000654946559 1184221969 /nfs/dbraw/zinc/22/19/69/1184221969.db2.gz LCRNGYCPDJNVEU-UONOGXRCSA-N 0 3 376.461 0.043 20 0 GCADHN COCC(=O)N1CCc2cc(NC(=O)C(=O)NCCN3CC[C@H](C)C3)ccc21 ZINC000547651200 1184226020 /nfs/dbraw/zinc/22/60/20/1184226020.db2.gz PWGGOEPIICGENN-AWEZNQCLSA-N 0 3 388.468 0.619 20 0 GCADHN O=C(Nc1ccnn1-c1ccncc1)C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000654966999 1184228920 /nfs/dbraw/zinc/22/89/20/1184228920.db2.gz XRUGKEMWLBWIOP-INIZCTEOSA-N 0 3 398.467 0.919 20 0 GCADHN CC(C)[C@@H](CNc1cc(N2CCN(C)C(=O)C2)ncn1)N1CCN(C)CC1 ZINC000274737878 1184234694 /nfs/dbraw/zinc/23/46/94/1184234694.db2.gz JIRNWBVCDJGPGI-MRXNPFEDSA-N 0 3 375.521 0.439 20 0 GCADHN COc1ccc(OC)c(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000274740879 1184236777 /nfs/dbraw/zinc/23/67/77/1184236777.db2.gz JGKOZBXRLPECPP-UHFFFAOYSA-N 0 3 378.473 0.738 20 0 GCADHN COc1cc(CCc2cc(=NC(=O)[C@H](N)CCN(C)C)[nH][nH]2)cc(OC)c1 ZINC000653081384 1184271614 /nfs/dbraw/zinc/27/16/14/1184271614.db2.gz NBJWNVCGTZRTJA-QGZVFWFLSA-N 0 3 375.473 0.852 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000274771583 1184295297 /nfs/dbraw/zinc/29/52/97/1184295297.db2.gz DAMRYLUHFXJJBX-LBPRGKRZSA-N 0 3 387.481 0.621 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCOC[C@H]2C2CCC2)cc1 ZINC000579829423 1184304300 /nfs/dbraw/zinc/30/43/00/1184304300.db2.gz JCCMQJMHRJWRBA-SFHVURJKSA-N 0 3 395.525 0.884 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)CCNC(=O)c3[nH]nc4ccccc43)C2)nn1 ZINC000579836323 1184309665 /nfs/dbraw/zinc/30/96/65/1184309665.db2.gz GJRZHBJRJGYOFZ-AWEZNQCLSA-N 0 3 396.455 0.597 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1O)N1CCCC1 ZINC000969508107 1184330828 /nfs/dbraw/zinc/33/08/28/1184330828.db2.gz CCLRFKZMEXPRPD-NCOADZHNSA-N 0 3 379.501 0.364 20 0 GCADHN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000683238848 1184331270 /nfs/dbraw/zinc/33/12/70/1184331270.db2.gz ZORZBFPEIVBQOG-HNNXBMFYSA-N 0 3 383.456 0.818 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)c2)CC1 ZINC000274803780 1184335561 /nfs/dbraw/zinc/33/55/61/1184335561.db2.gz LAUTXTCRRULZJO-DLBZAZTESA-N 0 3 375.473 0.983 20 0 GCADHN CCCN1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c2C1 ZINC000579854436 1184340716 /nfs/dbraw/zinc/34/07/16/1184340716.db2.gz YXCGCTYBCOOBEJ-ZBFHGGJFSA-N 0 3 385.468 0.121 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000655273260 1184345314 /nfs/dbraw/zinc/34/53/14/1184345314.db2.gz LJYZIBBQPMOJQO-HUUCEWRRSA-N 0 3 385.530 0.355 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000655272923 1184347019 /nfs/dbraw/zinc/34/70/19/1184347019.db2.gz BPFRTWSRQRSSEM-UHFFFAOYSA-N 0 3 390.488 0.157 20 0 GCADHN CC(C)CN1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@H]2C1 ZINC001083191080 1184348031 /nfs/dbraw/zinc/34/80/31/1184348031.db2.gz KPNWXNKKPWKBQU-XWTMOSNGSA-N 0 3 379.501 0.724 20 0 GCADHN O=C([C@H]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CC4CCC4)C[C@@H]32)O1)N1CCCC1 ZINC001083191279 1184358055 /nfs/dbraw/zinc/35/80/55/1184358055.db2.gz RJBYOTZIFLIRPS-ZSYWTGECSA-N 0 3 391.512 0.868 20 0 GCADHN O=C([C@H]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CCC4CC4)C[C@@H]32)O1)N1CCCC1 ZINC001083191318 1184358215 /nfs/dbraw/zinc/35/82/15/1184358215.db2.gz TYVBTNYCFBZHTE-ZSYWTGECSA-N 0 3 391.512 0.868 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C ZINC000069530544 1184369132 /nfs/dbraw/zinc/36/91/32/1184369132.db2.gz GBXFISHFFLVADS-JSGCOSHPSA-N 0 3 388.490 0.185 20 0 GCADHN COCc1noc(CN2CCN(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)CC2)n1 ZINC000547707017 1184381066 /nfs/dbraw/zinc/38/10/66/1184381066.db2.gz NEAFBPJZHKIXSP-UKRRQHHQSA-N 0 3 378.477 0.526 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)C(=O)N1CCCC[C@H]1C ZINC000579861584 1184383840 /nfs/dbraw/zinc/38/38/40/1184383840.db2.gz ZEZVSPBMXSTWKE-IAGOWNOFSA-N 0 3 395.548 0.036 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CCC4CCCCC4)C[C@@H]32)O1 ZINC001083191729 1184390146 /nfs/dbraw/zinc/39/01/46/1184390146.db2.gz OBLWOWYIJMICOQ-WNRNVDISSA-N 0 3 379.501 0.901 20 0 GCADHN COC(=O)C1CCN(CCCNc2cc(N3CCN(C)C(=O)C3)ncn2)CC1 ZINC000274825162 1184395119 /nfs/dbraw/zinc/39/51/19/1184395119.db2.gz QMXVFLUSJNQOQI-UHFFFAOYSA-N 0 3 390.488 0.442 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000274825798 1184397361 /nfs/dbraw/zinc/39/73/61/1184397361.db2.gz PRXQMTREJORECW-OAHLLOKOSA-N 0 3 397.545 0.883 20 0 GCADHN Cc1ccc(-n2nccc2NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)nn1 ZINC000274835771 1184398994 /nfs/dbraw/zinc/39/89/94/1184398994.db2.gz AMRRRGGHOOFLRS-QGZVFWFLSA-N 0 3 389.485 0.463 20 0 GCADHN CN(C)c1nc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC000119834234 1184406067 /nfs/dbraw/zinc/40/60/67/1184406067.db2.gz LOAKRHCRFFGZBQ-AWEZNQCLSA-N 0 3 380.518 0.657 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NC3C4CC5CC(C4)CC3C5)C2)nn1 ZINC001772506584 1184425067 /nfs/dbraw/zinc/42/50/67/1184425067.db2.gz XNQIRTFYVNXUTH-IWZRMPOGSA-N 0 3 386.500 0.841 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NC3C4CC5CC(C4)CC3C5)C2)nn1 ZINC001772506583 1184425285 /nfs/dbraw/zinc/42/52/85/1184425285.db2.gz XNQIRTFYVNXUTH-HRWDSRQLSA-N 0 3 386.500 0.841 20 0 GCADHN CN1CCN(Cc2ccc(C(=O)N3CCC[C@@H](N4CCNCC4=O)C3)cc2)CC1 ZINC000274952589 1184441284 /nfs/dbraw/zinc/44/12/84/1184441284.db2.gz DTRDNSZRFPEMRA-HXUWFJFHSA-N 0 3 399.539 0.470 20 0 GCADHN CN1CCN(Cc2cccc(C(=O)N3CCC[C@@H](N4CCNCC4=O)C3)c2)CC1 ZINC000275039620 1184470352 /nfs/dbraw/zinc/47/03/52/1184470352.db2.gz YCOCXBXDFQCJCH-HXUWFJFHSA-N 0 3 399.539 0.470 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000547748374 1184471173 /nfs/dbraw/zinc/47/11/73/1184471173.db2.gz RSGHRRFVESQXJA-UKRRQHHQSA-N 0 3 399.561 0.940 20 0 GCADHN CC(C)[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)N(C)C ZINC000471224643 1184471669 /nfs/dbraw/zinc/47/16/69/1184471669.db2.gz RMGCBPXPKYFKBH-QGZVFWFLSA-N 0 3 397.545 0.236 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000430295615 1184483580 /nfs/dbraw/zinc/48/35/80/1184483580.db2.gz HJJDBMGKPBXPCR-QZTJIDSGSA-N 0 3 375.469 0.980 20 0 GCADHN CN1CCN(C)CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000888997339 1184483984 /nfs/dbraw/zinc/48/39/84/1184483984.db2.gz AAISQOCLGSHQCI-UHFFFAOYSA-N 0 3 386.493 0.200 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000430295617 1184484187 /nfs/dbraw/zinc/48/41/87/1184484187.db2.gz HJJDBMGKPBXPCR-ROUUACIJSA-N 0 3 375.469 0.980 20 0 GCADHN O=C(Cc1nc2ncccn2n1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000535630200 1184485225 /nfs/dbraw/zinc/48/52/25/1184485225.db2.gz IKVIJHWLYRYFEX-IRXDYDNUSA-N 0 3 380.452 0.666 20 0 GCADHN CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000535630777 1184501756 /nfs/dbraw/zinc/50/17/56/1184501756.db2.gz IZLPIAJCRSKCJI-SJORKVTESA-N 0 3 383.514 0.267 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)CNC(=O)c2ccccc2OC)CC1 ZINC000154919779 1184502010 /nfs/dbraw/zinc/50/20/10/1184502010.db2.gz GYVFUNGQOKDPDR-MRXNPFEDSA-N 0 3 376.501 0.815 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)CNC(=O)c2cccc(O)c2)CC1 ZINC000275092073 1184505423 /nfs/dbraw/zinc/50/54/23/1184505423.db2.gz CNDGWIGYGKFQJI-UHFFFAOYSA-N 0 3 377.441 0.513 20 0 GCADHN COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000441917197 1184511891 /nfs/dbraw/zinc/51/18/91/1184511891.db2.gz ULYIMRLWARMMJI-UHFFFAOYSA-N 0 3 398.485 0.558 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC1 ZINC000655539216 1184514682 /nfs/dbraw/zinc/51/46/82/1184514682.db2.gz WBVSMYWITFSNFI-QGZVFWFLSA-N 0 3 391.493 0.743 20 0 GCADHN Cc1c([C@H]2[C@@H](C(=O)NCCCCN3CCN(C)CC3)CC(=O)N2C)cnn1C ZINC000683303877 1184515428 /nfs/dbraw/zinc/51/54/28/1184515428.db2.gz NGOQKBYRTNKHBB-QFBILLFUSA-N 0 3 390.532 0.392 20 0 GCADHN C[C@@H](O)CN1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000275182327 1184542727 /nfs/dbraw/zinc/54/27/27/1184542727.db2.gz BAIBVGGVLPDVGJ-JKSUJKDBSA-N 0 3 385.530 0.703 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000430307679 1184564516 /nfs/dbraw/zinc/56/45/16/1184564516.db2.gz VSHPDRKULJECBF-GDBMZVCRSA-N 0 3 377.441 0.196 20 0 GCADHN O=C(CNC(=O)C1CC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000109666842 1184566820 /nfs/dbraw/zinc/56/68/20/1184566820.db2.gz QKNSTUIMDLIIKX-KRWDZBQOSA-N 0 3 385.512 0.968 20 0 GCADHN CCN1CCN(CC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C(=O)C1=O ZINC000155238867 1184594295 /nfs/dbraw/zinc/59/42/95/1184594295.db2.gz JFJBECLLQAWXGB-KRWDZBQOSA-N 0 3 386.496 0.800 20 0 GCADHN CCN1CCCN(C(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)CC1 ZINC000275318040 1184600941 /nfs/dbraw/zinc/60/09/41/1184600941.db2.gz ZRKRGJJUTGYHRJ-UHFFFAOYSA-N 0 3 375.473 0.679 20 0 GCADHN COc1cc([C@@H](C)NCCN2C(=O)CNC2=O)ccc1S(=O)(=O)C(F)F ZINC000275324314 1184605741 /nfs/dbraw/zinc/60/57/41/1184605741.db2.gz LNVMOHHIULEJCX-SECBINFHSA-N 0 3 391.396 0.894 20 0 GCADHN CN(C)CCn1c2cc(C(=O)N3CCC[C@@H]3c3nc(=N)n(C)[nH]3)ccc2[nH]c1=O ZINC001625861109 1184616750 /nfs/dbraw/zinc/61/67/50/1184616750.db2.gz QVQFYJWNJMMHRH-CQSZACIVSA-N 0 3 398.471 0.822 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H]3C[C@@H](O)C3(C)C)cc21 ZINC000275343784 1184618128 /nfs/dbraw/zinc/61/81/28/1184618128.db2.gz RIHIOPZWFPGSHI-LSDHHAIUSA-N 0 3 390.440 0.370 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H]3C[C@H](O)C3(C)C)cc21 ZINC000275343780 1184618215 /nfs/dbraw/zinc/61/82/15/1184618215.db2.gz RIHIOPZWFPGSHI-GJZGRUSLSA-N 0 3 390.440 0.370 20 0 GCADHN CC(C)NC(=S)N1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001279106839 1184634436 /nfs/dbraw/zinc/63/44/36/1184634436.db2.gz GJQHHEBBESICOZ-IBGZPJMESA-N 0 3 381.590 0.974 20 0 GCADHN CC(C)NC(=S)N1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001279106840 1184634521 /nfs/dbraw/zinc/63/45/21/1184634521.db2.gz GJQHHEBBESICOZ-LJQANCHMSA-N 0 3 381.590 0.974 20 0 GCADHN CCOC(=O)c1cc(NC(=O)C(=O)N(C)CCN(C)C)cc(S(C)(=O)=O)c1 ZINC000275376024 1184642162 /nfs/dbraw/zinc/64/21/62/1184642162.db2.gz BSEGFRGIDMGHGQ-UHFFFAOYSA-N 0 3 399.469 0.225 20 0 GCADHN Cc1cccc(N2CCN(CCCCNC(=O)Cn3ccc(=O)[nH]c3=O)CC2)c1 ZINC000026958267 1184661631 /nfs/dbraw/zinc/66/16/31/1184661631.db2.gz BUSNFXYVWXKRTN-UHFFFAOYSA-N 0 3 399.495 0.564 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c2ccccc2O1 ZINC000683410903 1184665539 /nfs/dbraw/zinc/66/55/39/1184665539.db2.gz CEUVYSMETMUQFM-LSDHHAIUSA-N 0 3 381.498 0.461 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000275438104 1184669126 /nfs/dbraw/zinc/66/91/26/1184669126.db2.gz PPRAXCBPDKJDQE-UHFFFAOYSA-N 0 3 396.513 0.820 20 0 GCADHN COCCNCC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 ZINC000430407385 1184675565 /nfs/dbraw/zinc/67/55/65/1184675565.db2.gz IPPNCZGCHMFCAP-KRWDZBQOSA-N 0 3 377.485 0.978 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN(CC(C)(C)O)C[C@H]2C)cc1 ZINC000275469093 1184679621 /nfs/dbraw/zinc/67/96/21/1184679621.db2.gz OFGAXGGLKZPQSN-NVXWUHKLSA-N 0 3 380.485 0.990 20 0 GCADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(CC(C)(C)O)C[C@H]2C)cc1 ZINC000275469100 1184679754 /nfs/dbraw/zinc/67/97/54/1184679754.db2.gz OFGAXGGLKZPQSN-WBVHZDCISA-N 0 3 380.485 0.990 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N(C)CCN(C)C)ccc1C ZINC000275465970 1184680321 /nfs/dbraw/zinc/68/03/21/1184680321.db2.gz WGSHFVRCTQUTMJ-UHFFFAOYSA-N 0 3 398.529 0.984 20 0 GCADHN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000430412527 1184687779 /nfs/dbraw/zinc/68/77/79/1184687779.db2.gz DUNLCWTYDWSGHZ-IRXDYDNUSA-N 0 3 375.469 0.812 20 0 GCADHN CCO[C@@H]1C[C@](CO)(NCC(=O)NCc2ccc(OCC(N)=O)cc2)C1(C)C ZINC000275500017 1184689602 /nfs/dbraw/zinc/68/96/02/1184689602.db2.gz GQZGZLQLGCYMPG-OXQOHEQNSA-N 0 3 393.484 0.323 20 0 GCADHN CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)c2)CC1 ZINC000275515823 1184694801 /nfs/dbraw/zinc/69/48/01/1184694801.db2.gz UZRRZZYAINETIU-CQSZACIVSA-N 0 3 375.473 0.360 20 0 GCADHN C[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CN(CCCN2C(=O)CNC2=O)C1 ZINC000970169757 1184698301 /nfs/dbraw/zinc/69/83/01/1184698301.db2.gz BPWJFAYIXNWLPL-GZIXRCOHSA-N 0 3 378.473 0.180 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN(CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000275578349 1184728624 /nfs/dbraw/zinc/72/86/24/1184728624.db2.gz PNSUOQLHSBBXQH-DOTOQJQBSA-N 0 3 380.485 0.990 20 0 GCADHN CC1(C)CCCN(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000683495789 1184742251 /nfs/dbraw/zinc/74/22/51/1184742251.db2.gz VIJPTNODSMRQTF-UHFFFAOYSA-N 0 3 398.529 0.887 20 0 GCADHN C[C@@H](CNC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000332799088 1184746864 /nfs/dbraw/zinc/74/68/64/1184746864.db2.gz UDDGDOFDANXUMY-FXAWDEMLSA-N 0 3 395.548 0.029 20 0 GCADHN C[C@@H](NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)NCCN1CCCCC1 ZINC000332908431 1184747052 /nfs/dbraw/zinc/74/70/52/1184747052.db2.gz ZSBGNDGZMSATEU-HUUCEWRRSA-N 0 3 385.530 0.308 20 0 GCADHN C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CN(Cc2ccn(C)c(=O)c2)C1 ZINC000970206415 1184753235 /nfs/dbraw/zinc/75/32/35/1184753235.db2.gz ZZFFZPQNINNBGR-LZLXCTOHSA-N 0 3 375.469 0.373 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2N(C)C)CC1 ZINC000510280547 1184754185 /nfs/dbraw/zinc/75/41/85/1184754185.db2.gz HDGOERNWXICWTB-UHFFFAOYSA-N 0 3 389.500 0.704 20 0 GCADHN C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000275592959 1184779953 /nfs/dbraw/zinc/77/99/53/1184779953.db2.gz JRUBKMQDUWOESC-MAZHCROVSA-N 0 3 396.513 0.898 20 0 GCADHN COC(=O)[C@](C)(Cn1cccn1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000890954833 1184788033 /nfs/dbraw/zinc/78/80/33/1184788033.db2.gz PUOKTZMAWPKRNM-SFHVURJKSA-N 0 3 378.473 0.966 20 0 GCADHN O=C(NCCCN1CCN(c2ncccn2)CC1)[C@@H]1NCCc2ccccc21 ZINC000238041442 1184790719 /nfs/dbraw/zinc/79/07/19/1184790719.db2.gz ONLQUXUGSYRJFB-LJQANCHMSA-N 0 3 380.496 0.992 20 0 GCADHN CC(=O)NCC1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000047772579 1184799521 /nfs/dbraw/zinc/79/95/21/1184799521.db2.gz TVWBXDIFPXKNJR-UHFFFAOYSA-N 0 3 394.560 0.986 20 0 GCADHN CC(C)Cn1ncc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1C(C)C ZINC000579973514 1184860785 /nfs/dbraw/zinc/86/07/85/1184860785.db2.gz AAMFMMWEZBDDLW-UONOGXRCSA-N 0 3 390.488 0.371 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC000891049364 1184871930 /nfs/dbraw/zinc/87/19/30/1184871930.db2.gz FXWBNKCGASQMPX-UHFFFAOYSA-N 0 3 383.518 0.579 20 0 GCADHN COCC[C@@]1(NCC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)CCOC1 ZINC000683679387 1184884168 /nfs/dbraw/zinc/88/41/68/1184884168.db2.gz OHMOPFGPYRDIEG-IFXJQAMLSA-N 0 3 381.448 0.904 20 0 GCADHN CCOC(=O)Cn1nc(C)c(CNC[C@H]2CCCCN2S(C)(=O)=O)c1C ZINC000580006397 1184900796 /nfs/dbraw/zinc/90/07/96/1184900796.db2.gz XSCCQHUILDGVRY-OAHLLOKOSA-N 0 3 386.518 0.967 20 0 GCADHN COc1ccc([C@H](CNC(=O)c2[nH]nc3c2CNCC3)N2CCOCC2)cc1 ZINC000188691447 1184920239 /nfs/dbraw/zinc/92/02/39/1184920239.db2.gz ZREYKGCBAIAYJI-SFHVURJKSA-N 0 3 385.468 0.867 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(OCCOC)cc2)CC1 ZINC000041719261 1184964451 /nfs/dbraw/zinc/96/44/51/1184964451.db2.gz IYTBQWQXIYYAGB-UHFFFAOYSA-N 0 3 378.473 0.404 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000275742858 1184997684 /nfs/dbraw/zinc/99/76/84/1184997684.db2.gz RIJQZOVBZUEAKF-AWEZNQCLSA-N 0 3 390.488 0.967 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)o1 ZINC000656066833 1184999539 /nfs/dbraw/zinc/99/95/39/1184999539.db2.gz JMMVHVCVBRDQHM-UHFFFAOYSA-N 0 3 391.476 0.536 20 0 GCADHN CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)n1 ZINC000656066706 1185000768 /nfs/dbraw/zinc/00/07/68/1185000768.db2.gz AZJJDPRHOJWAQA-UHFFFAOYSA-N 0 3 377.493 0.521 20 0 GCADHN COC[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H]1CCCOC1 ZINC000891179573 1185011275 /nfs/dbraw/zinc/01/12/75/1185011275.db2.gz YTZCCPVIKZSVPT-IKGGRYGDSA-N 0 3 382.505 0.376 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)C1 ZINC000656077627 1185013701 /nfs/dbraw/zinc/01/37/01/1185013701.db2.gz ZWVFTRIVPWGTNV-MRXNPFEDSA-N 0 3 399.499 0.777 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CC1 ZINC000656084188 1185022615 /nfs/dbraw/zinc/02/26/15/1185022615.db2.gz WFGNTXLDLIXLJZ-INIZCTEOSA-N 0 3 382.549 0.623 20 0 GCADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)Nc2ccc(S(C)(=O)=O)cn2)cn1 ZINC000891199886 1185035686 /nfs/dbraw/zinc/03/56/86/1185035686.db2.gz PTWUDIIRTMEJMS-HUUCEWRRSA-N 0 3 377.470 0.893 20 0 GCADHN CNC(=O)Cn1nc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1C ZINC000683790701 1185041083 /nfs/dbraw/zinc/04/10/83/1185041083.db2.gz PDXBUMPGEVLJSL-AWEZNQCLSA-N 0 3 378.477 0.655 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(CCO)CCOC)c2)CC1 ZINC000275780773 1185049507 /nfs/dbraw/zinc/04/95/07/1185049507.db2.gz JMRCBADKFBBBEF-UHFFFAOYSA-N 0 3 378.473 0.234 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1C[C@H](C(=O)OC)Oc2ccccc21 ZINC000610380938 1185061759 /nfs/dbraw/zinc/06/17/59/1185061759.db2.gz JOJQRSJEZRPVRJ-MRXNPFEDSA-N 0 3 393.440 0.038 20 0 GCADHN COc1ccccc1OCCCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000642782936 1185068462 /nfs/dbraw/zinc/06/84/62/1185068462.db2.gz HACXYOBSWPLZLB-ZIAGYGMSSA-N 0 3 379.457 0.810 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2O)O1 ZINC000970835601 1185081013 /nfs/dbraw/zinc/08/10/13/1185081013.db2.gz VZBGAKMIROJZOO-NKGKWGDASA-N 0 3 375.469 0.617 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC(=O)N(c4ccccc4Cl)C3)CCN2C1=O ZINC000580217777 1185120676 /nfs/dbraw/zinc/12/06/76/1185120676.db2.gz BPYBOHURKZXBHU-OUCADQQQSA-N 0 3 391.859 0.399 20 0 GCADHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000275811824 1185135652 /nfs/dbraw/zinc/13/56/52/1185135652.db2.gz VMFRTSFCOFCKBE-KRWDZBQOSA-N 0 3 375.473 0.404 20 0 GCADHN O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)N[C@H]1CCN(C2CC2)C1 ZINC000580277489 1185137606 /nfs/dbraw/zinc/13/76/06/1185137606.db2.gz ABYMDTOCVXHVCO-LBPRGKRZSA-N 0 3 388.440 0.779 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000580277489 1185137611 /nfs/dbraw/zinc/13/76/11/1185137611.db2.gz ABYMDTOCVXHVCO-LBPRGKRZSA-N 0 3 388.440 0.779 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000580277489 1185137617 /nfs/dbraw/zinc/13/76/17/1185137617.db2.gz ABYMDTOCVXHVCO-LBPRGKRZSA-N 0 3 388.440 0.779 20 0 GCADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000891238516 1185151122 /nfs/dbraw/zinc/15/11/22/1185151122.db2.gz SKAWFAMIQFIXNT-BRSBDYLESA-N 0 3 375.469 0.978 20 0 GCADHN Cn1c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000548076658 1185155527 /nfs/dbraw/zinc/15/55/27/1185155527.db2.gz NQDCIAUKQYUKBV-AWEZNQCLSA-N 0 3 375.473 0.426 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)c1 ZINC000275842185 1185173981 /nfs/dbraw/zinc/17/39/81/1185173981.db2.gz JYCGGBQYLWQDID-UHFFFAOYSA-N 0 3 382.486 0.214 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CCN(C2CCC2)C1 ZINC000580339343 1185178791 /nfs/dbraw/zinc/17/87/91/1185178791.db2.gz UOCPIENBWFKIKW-AWEZNQCLSA-N 0 3 383.456 0.934 20 0 GCADHN COCCN1CCC[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000683893160 1185184723 /nfs/dbraw/zinc/18/47/23/1185184723.db2.gz XPBFZSSESVDLNT-LBPRGKRZSA-N 0 3 390.444 0.609 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000683903677 1185197383 /nfs/dbraw/zinc/19/73/83/1185197383.db2.gz HJKTZZOAELCBRJ-HZPDHXFCSA-N 0 3 377.489 0.859 20 0 GCADHN COCCO[C@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000548087557 1185210367 /nfs/dbraw/zinc/21/03/67/1185210367.db2.gz OCZLJRUJGOIEBH-HNNXBMFYSA-N 0 3 379.457 0.959 20 0 GCADHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000275874127 1185210871 /nfs/dbraw/zinc/21/08/71/1185210871.db2.gz NMYAPDHOEYBZQV-UHFFFAOYSA-N 0 3 378.477 0.277 20 0 GCADHN CN(CCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)Cc1ccccc1 ZINC000580389059 1185215449 /nfs/dbraw/zinc/21/54/49/1185215449.db2.gz XDZNDUZCFFGMCE-UHFFFAOYSA-N 0 3 395.573 0.228 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CNCCS(=O)(=O)NCc2ccccc2)C[C@H](C)O1 ZINC000580422542 1185228034 /nfs/dbraw/zinc/22/80/34/1185228034.db2.gz QUSLWYKDAWVPRL-SOLBZPMBSA-N 0 3 385.530 0.166 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(OC3CCCC3)nc2)n1 ZINC000580459655 1185236803 /nfs/dbraw/zinc/23/68/03/1185236803.db2.gz BUQKWVBKNRKUGH-UHFFFAOYSA-N 0 3 387.488 0.690 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cc(F)c(F)c(C(=O)OC)c2)CC1 ZINC000275889877 1185238820 /nfs/dbraw/zinc/23/88/20/1185238820.db2.gz NQNILHIUFNQYDF-UHFFFAOYSA-N 0 3 391.440 0.667 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000683944240 1185239324 /nfs/dbraw/zinc/23/93/24/1185239324.db2.gz ZBKXRWNNHCHEGR-SFHVURJKSA-N 0 3 394.541 0.851 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCC(Cn2cncn2)CC1 ZINC000580467482 1185240367 /nfs/dbraw/zinc/24/03/67/1185240367.db2.gz QVZFTUUTSOMFHM-KRWDZBQOSA-N 0 3 376.505 0.897 20 0 GCADHN C[C@@H]1CN(C(=O)NCc2nnnn2CC2CC2)CC[C@H]1N1CCN(C)CC1 ZINC000548107812 1185261130 /nfs/dbraw/zinc/26/11/30/1185261130.db2.gz GMOICOSVQUWQRK-GDBMZVCRSA-N 0 3 376.509 0.251 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000275905858 1185264614 /nfs/dbraw/zinc/26/46/14/1185264614.db2.gz JXTNUOPPTJQRHA-CVEARBPZSA-N 0 3 387.484 0.942 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cnn(-c3ccccn3)c2C)CC1 ZINC000275913880 1185271511 /nfs/dbraw/zinc/27/15/11/1185271511.db2.gz RZKKUUJPIVTUEJ-UHFFFAOYSA-N 0 3 378.502 0.492 20 0 GCADHN C[C@@H](C(=O)NC(C)(C)CCN1CCN(C)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000548112741 1185277141 /nfs/dbraw/zinc/27/71/41/1185277141.db2.gz WVULMBJDUHFRCP-HNNXBMFYSA-N 0 3 393.532 0.772 20 0 GCADHN CCOCCOCc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000580580082 1185279376 /nfs/dbraw/zinc/27/93/76/1185279376.db2.gz ABKQBERQDZVUIU-ROUUACIJSA-N 0 3 390.484 0.693 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)CCCCCS(N)(=O)=O)ccc2oc1=O ZINC000580573399 1185279834 /nfs/dbraw/zinc/27/98/34/1185279834.db2.gz ZZCCPAUBVHVCKG-UHFFFAOYSA-N 0 3 398.485 0.944 20 0 GCADHN COCCOc1cccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000047961990 1185282032 /nfs/dbraw/zinc/28/20/32/1185282032.db2.gz BVSYAKOQRMKBHR-UHFFFAOYSA-N 0 3 378.473 0.404 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000580612163 1185289061 /nfs/dbraw/zinc/28/90/61/1185289061.db2.gz VDAAYQMXARNDEA-CQSZACIVSA-N 0 3 388.534 0.163 20 0 GCADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000510335317 1185295172 /nfs/dbraw/zinc/29/51/72/1185295172.db2.gz UKEUEQZDPFRKQR-UKRRQHHQSA-N 0 3 396.513 0.264 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)NCCS(=O)(=O)NC)c(C)c2)CC1 ZINC000275927929 1185296799 /nfs/dbraw/zinc/29/67/99/1185296799.db2.gz QWUXCEBLBRQIME-UHFFFAOYSA-N 0 3 383.518 0.808 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000580692112 1185307861 /nfs/dbraw/zinc/30/78/61/1185307861.db2.gz ROQZTZOBAPGMCC-XHSDSOJGSA-N 0 3 385.530 0.449 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(C(F)F)c3Cl)CCN2C1=O ZINC000580726001 1185315157 /nfs/dbraw/zinc/31/51/57/1185315157.db2.gz HAKCIVQGWWBCJB-WPRPVWTQSA-N 0 3 386.786 0.987 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccc(N2CCCC2=O)c1 ZINC000580726510 1185316435 /nfs/dbraw/zinc/31/64/35/1185316435.db2.gz VJNVXZNCVADGDX-IAOVAPTHSA-N 0 3 385.468 0.828 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000580741141 1185325175 /nfs/dbraw/zinc/32/51/75/1185325175.db2.gz LIDAIIXXBFWSKX-QFBILLFUSA-N 0 3 392.544 0.831 20 0 GCADHN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000275942127 1185328080 /nfs/dbraw/zinc/32/80/80/1185328080.db2.gz PLZRHLWKBXQOFX-UHFFFAOYSA-N 0 3 397.497 0.598 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000656289906 1185340107 /nfs/dbraw/zinc/34/01/07/1185340107.db2.gz UYFUUUBJKULLKR-SJORKVTESA-N 0 3 393.509 0.839 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000656289900 1185340581 /nfs/dbraw/zinc/34/05/81/1185340581.db2.gz UYBMWPGBVUODQB-SFHVURJKSA-N 0 3 395.592 0.707 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)N1CCOCC1 ZINC000656290486 1185343614 /nfs/dbraw/zinc/34/36/14/1185343614.db2.gz ZQHZJXXHUBXMEL-SQNIBIBYSA-N 0 3 380.533 0.593 20 0 GCADHN CC(C)Oc1ncccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000275975284 1185347949 /nfs/dbraw/zinc/34/79/49/1185347949.db2.gz MFSDENHEPCNRHM-UHFFFAOYSA-N 0 3 377.489 0.903 20 0 GCADHN CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656295819 1185353179 /nfs/dbraw/zinc/35/31/79/1185353179.db2.gz NBTODQZVLIKZFK-ZWKOTPCHSA-N 0 3 386.496 0.894 20 0 GCADHN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580785003 1185360098 /nfs/dbraw/zinc/36/00/98/1185360098.db2.gz LBTLBUJPWHASFU-CVEARBPZSA-N 0 3 390.484 0.296 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)C(C1CC1)C1CC1 ZINC000580791292 1185363142 /nfs/dbraw/zinc/36/31/42/1185363142.db2.gz ZRKFXZXHTUGMAR-INIZCTEOSA-N 0 3 378.517 0.692 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)N1CCC(C)CC1 ZINC000656304620 1185379169 /nfs/dbraw/zinc/37/91/69/1185379169.db2.gz CWQBDNPFXIATTO-XLAORIBOSA-N 0 3 382.549 0.837 20 0 GCADHN Cc1c(C(=O)NC[C@@H]2CCCC(=O)N2)nnn1-c1cccc2c1CCN(C)C2 ZINC000684082083 1185382600 /nfs/dbraw/zinc/38/26/00/1185382600.db2.gz LPDXPRQIORSXRO-HNNXBMFYSA-N 0 3 382.468 0.962 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000580857907 1185396809 /nfs/dbraw/zinc/39/68/09/1185396809.db2.gz DJQNKSINLVORAB-DOTOQJQBSA-N 0 3 392.475 0.747 20 0 GCADHN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656315882 1185398816 /nfs/dbraw/zinc/39/88/16/1185398816.db2.gz MYUNLRBNBFJWMN-QZWWFDLISA-N 0 3 378.517 0.883 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCC(Oc2ncc(C)cn2)CC1 ZINC000656320314 1185410493 /nfs/dbraw/zinc/41/04/93/1185410493.db2.gz LHACUKRGQYKWLG-UHFFFAOYSA-N 0 3 393.488 0.239 20 0 GCADHN CNC(=O)c1cccc(CCNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000656320817 1185411553 /nfs/dbraw/zinc/41/15/53/1185411553.db2.gz VQEQMWQNOJPCRH-ZWKOTPCHSA-N 0 3 386.496 0.838 20 0 GCADHN C[C@H](O)CN(C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000656331254 1185425483 /nfs/dbraw/zinc/42/54/83/1185425483.db2.gz MYTHHRYCDXXNEE-LPHOPBHVSA-N 0 3 389.496 0.766 20 0 GCADHN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000276004455 1185430649 /nfs/dbraw/zinc/43/06/49/1185430649.db2.gz ZOYABZZQIUBATB-UHFFFAOYSA-N 0 3 382.486 0.939 20 0 GCADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656336112 1185430723 /nfs/dbraw/zinc/43/07/23/1185430723.db2.gz VIVALVXFTYFDFK-HZPDHXFCSA-N 0 3 377.489 0.740 20 0 GCADHN CS(=O)(=O)c1ccccc1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656338335 1185435134 /nfs/dbraw/zinc/43/51/34/1185435134.db2.gz GLOLBFYKADNDQL-JKSUJKDBSA-N 0 3 393.509 0.839 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)NC[C@H]3CNCCO3)CC2=O)cc1 ZINC000580942125 1185435185 /nfs/dbraw/zinc/43/51/85/1185435185.db2.gz KUSWDZUBYPIRIJ-QGZVFWFLSA-N 0 3 376.457 0.428 20 0 GCADHN CCNS(=O)(=O)c1cccc(CNC(=O)NCCN2CCC(OC)CC2)c1 ZINC000656338600 1185435369 /nfs/dbraw/zinc/43/53/69/1185435369.db2.gz AITKJBMQBLSOMY-UHFFFAOYSA-N 0 3 398.529 0.895 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000656354265 1185447250 /nfs/dbraw/zinc/44/72/50/1185447250.db2.gz BKLRHCGPJQVWDM-DLBZAZTESA-N 0 3 376.501 0.733 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000656353357 1185447624 /nfs/dbraw/zinc/44/76/24/1185447624.db2.gz AJIYOHUFHBLRPP-ROUUACIJSA-N 0 3 378.517 0.443 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000656354074 1185450836 /nfs/dbraw/zinc/45/08/36/1185450836.db2.gz DYQWPWMPXZKBHF-SJORKVTESA-N 0 3 379.501 0.775 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)CCN2C1=O ZINC000580964300 1185452209 /nfs/dbraw/zinc/45/22/09/1185452209.db2.gz WKDUWCBRYIFWMK-RKTXRCNFSA-N 0 3 388.443 0.348 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)[C@@H](C)C1=O ZINC000656353465 1185453320 /nfs/dbraw/zinc/45/33/20/1185453320.db2.gz ATUTWSNZMRJDLR-GVDBMIGSSA-N 0 3 378.517 0.835 20 0 GCADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356143 1185454204 /nfs/dbraw/zinc/45/42/04/1185454204.db2.gz QXALUBZYFSLZHA-BRWVUGGUSA-N 0 3 380.533 0.423 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000656355628 1185455639 /nfs/dbraw/zinc/45/56/39/1185455639.db2.gz MDTJAJNWTLATDG-KURKYZTESA-N 0 3 378.517 0.300 20 0 GCADHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656356741 1185455763 /nfs/dbraw/zinc/45/57/63/1185455763.db2.gz WCCLKBMDLWCCJM-KZNAEPCWSA-N 0 3 399.532 0.380 20 0 GCADHN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000557850856 1185459116 /nfs/dbraw/zinc/45/91/16/1185459116.db2.gz ZSPJBVQZUGNJSZ-OAGGEKHMSA-N 0 3 380.533 0.890 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656358551 1185460319 /nfs/dbraw/zinc/46/03/19/1185460319.db2.gz RXQDXCRNBZHTOO-IRXDYDNUSA-N 0 3 380.533 0.689 20 0 GCADHN Cc1nccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000656359253 1185461400 /nfs/dbraw/zinc/46/14/00/1185461400.db2.gz XGUBRDLHXCMGEL-SJORKVTESA-N 0 3 386.500 0.567 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000656358477 1185463693 /nfs/dbraw/zinc/46/36/93/1185463693.db2.gz KWBFTFHAWGFIBY-WMZOPIPTSA-N 0 3 399.495 0.499 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2c2cccnc2)CC1 ZINC000580997625 1185465543 /nfs/dbraw/zinc/46/55/43/1185465543.db2.gz FBPBHOHXNUVWPR-ZWKOTPCHSA-N 0 3 399.495 0.510 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000581036479 1185474479 /nfs/dbraw/zinc/47/44/79/1185474479.db2.gz LKCFQRQZILSRGG-MGPUTAFESA-N 0 3 396.532 0.319 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2nnc(COc3ccccc3)[n-]2)C[C@H](C)O1 ZINC000581067655 1185482446 /nfs/dbraw/zinc/48/24/46/1185482446.db2.gz MJFGXKJVWWIGPH-XHSDSOJGSA-N 0 3 375.473 0.943 20 0 GCADHN Cc1c(C)c(C)c(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(C)c1C ZINC000581082405 1185488298 /nfs/dbraw/zinc/48/82/98/1185488298.db2.gz JZMNWTSBHMZGHC-SJLPKXTDSA-N 0 3 386.496 0.615 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N(CCO)CC(F)F)CC1 ZINC000581125589 1185505065 /nfs/dbraw/zinc/50/50/65/1185505065.db2.gz SYBWWKPVEAILMX-ZDUSSCGKSA-N 0 3 384.427 0.809 20 0 GCADHN C[C@H](CO)N(C[C@H](C)O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000276045096 1185515805 /nfs/dbraw/zinc/51/58/05/1185515805.db2.gz NZBPDVNFCOGXFZ-MOPGFXCFSA-N 0 3 392.544 0.968 20 0 GCADHN COc1cc(F)c(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1OC ZINC000276042923 1185516677 /nfs/dbraw/zinc/51/66/77/1185516677.db2.gz SJDVCKGOTXAFCL-UHFFFAOYSA-N 0 3 396.463 0.877 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000581185156 1185524411 /nfs/dbraw/zinc/52/44/11/1185524411.db2.gz CPBZZOBIRQEPSR-DAYGRLMNSA-N 0 3 379.457 0.821 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)C1 ZINC001021792877 1185534142 /nfs/dbraw/zinc/53/41/42/1185534142.db2.gz ZUSIXVNROFMGDD-YALNPMBYSA-N 0 3 376.501 0.445 20 0 GCADHN O=S(=O)(CCNC[C@H](O)COc1ccc(F)cc1)NC[C@H]1CCCCO1 ZINC000581246480 1185552887 /nfs/dbraw/zinc/55/28/87/1185552887.db2.gz XMSHWOWAKNZOSH-DOTOQJQBSA-N 0 3 390.477 0.644 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c(Cl)n1 ZINC000276099858 1185570435 /nfs/dbraw/zinc/57/04/35/1185570435.db2.gz YJWPTLMNGDBOIH-UHFFFAOYSA-N 0 3 383.880 0.778 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000581321881 1185591634 /nfs/dbraw/zinc/59/16/34/1185591634.db2.gz BLGUIXIOCOPBIF-HIFRSBDPSA-N 0 3 395.485 0.149 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(OC(F)F)cc1 ZINC000581322003 1185592985 /nfs/dbraw/zinc/59/29/85/1185592985.db2.gz GHCSVGWDEKWBHA-VHRBIJSZSA-N 0 3 396.394 0.236 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000581364376 1185616901 /nfs/dbraw/zinc/61/69/01/1185616901.db2.gz IWMRAVBEVZUQJQ-DLBZAZTESA-N 0 3 381.498 0.333 20 0 GCADHN CC(C)[C@@H]1C[C@H](NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000581386842 1185629110 /nfs/dbraw/zinc/62/91/10/1185629110.db2.gz PUMPSYGVAJIHJZ-IKGGRYGDSA-N 0 3 396.532 0.365 20 0 GCADHN O=C(NCCCn1nc2n(c1=O)CCCC2)NC[C@@H]1Cc2ccccc2CN1 ZINC000891383530 1185654915 /nfs/dbraw/zinc/65/49/15/1185654915.db2.gz VFWNRIINODNSDV-KRWDZBQOSA-N 0 3 384.484 0.785 20 0 GCADHN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000510418951 1185658529 /nfs/dbraw/zinc/65/85/29/1185658529.db2.gz BFDSCGRHNRMWGW-IRXDYDNUSA-N 0 3 375.469 0.687 20 0 GCADHN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)[C@H]1CO ZINC000276181379 1185663055 /nfs/dbraw/zinc/66/30/55/1185663055.db2.gz RNHHLZGAAHLZHP-DOMZBBRYSA-N 0 3 390.440 0.324 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)C2)CC1 ZINC000581415467 1185664615 /nfs/dbraw/zinc/66/46/15/1185664615.db2.gz WCAYUBNXENVFMN-FGTMMUONSA-N 0 3 379.549 0.164 20 0 GCADHN 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0.651 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC000581591514 1185776601 /nfs/dbraw/zinc/77/66/01/1185776601.db2.gz LGVAZOHKRRFGSB-HZPDHXFCSA-N 0 3 377.489 0.089 20 0 GCADHN COc1ccc(NC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)c(OC)c1 ZINC000430615758 1185777700 /nfs/dbraw/zinc/77/77/00/1185777700.db2.gz CZWFGNWAGVWVQI-HNNXBMFYSA-N 0 3 390.484 0.786 20 0 GCADHN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000276375915 1185778752 /nfs/dbraw/zinc/77/87/52/1185778752.db2.gz HNUJGEIQAODLDG-MRXNPFEDSA-N 0 3 383.474 0.089 20 0 GCADHN O=C(NCCCN1CCN(c2ncccn2)CC1)[C@H]1CNCc2ccccc21 ZINC000581605781 1185783741 /nfs/dbraw/zinc/78/37/41/1185783741.db2.gz YQGJEMDTZLCQRR-IBGZPJMESA-N 0 3 380.496 0.992 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000430616603 1185784725 /nfs/dbraw/zinc/78/47/25/1185784725.db2.gz GIEHLPTUERZSGH-MRXNPFEDSA-N 0 3 387.484 0.727 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)CC1 ZINC000246502653 1185785937 /nfs/dbraw/zinc/78/59/37/1185785937.db2.gz HQVQKVWNMWGKHM-ZVZYQTTQSA-N 0 3 376.501 0.541 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NC(=O)NCc1ccccc1 ZINC000430617682 1185786828 /nfs/dbraw/zinc/78/68/28/1185786828.db2.gz OHUJGHOEXOITCS-KRWDZBQOSA-N 0 3 387.484 0.156 20 0 GCADHN NC(=O)c1ccc(OCC(F)F)c(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000581618683 1185788900 /nfs/dbraw/zinc/78/89/00/1185788900.db2.gz LDLULQNRXKVFAK-QWRGUYRKSA-N 0 3 397.382 0.205 20 0 GCADHN CCC[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)OCC ZINC000625569360 1185790967 /nfs/dbraw/zinc/79/09/67/1185790967.db2.gz BKALEOAXMYCWCK-HZPDHXFCSA-N 0 3 382.505 0.073 20 0 GCADHN COCc1ccc(CNC(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 ZINC000430624097 1185809106 /nfs/dbraw/zinc/80/91/06/1185809106.db2.gz IBOULLZTEPFBLR-LJQANCHMSA-N 0 3 388.512 0.593 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CNC2([C@@H]3CCCCO3)CC2)CC1 ZINC000933377154 1185854709 /nfs/dbraw/zinc/85/47/09/1185854709.db2.gz GEIIGMWGFQROGF-INIZCTEOSA-N 0 3 380.533 0.737 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)N1CC(=O)Nc2ccccc21 ZINC000430644016 1185855357 /nfs/dbraw/zinc/85/53/57/1185855357.db2.gz YPKOJEPPAKROSC-OAHLLOKOSA-N 0 3 385.468 0.116 20 0 GCADHN CCOc1cccc(CNC(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000430645258 1185858466 /nfs/dbraw/zinc/85/84/66/1185858466.db2.gz ATYBUVSLRTYXET-SFHVURJKSA-N 0 3 388.512 0.845 20 0 GCADHN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)C(=O)NC[C@@H]1CNCCO1 ZINC000581716502 1185863751 /nfs/dbraw/zinc/86/37/51/1185863751.db2.gz XLPORBRHVSVVOC-YOEHRIQHSA-N 0 3 394.903 0.698 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000656890039 1185869996 /nfs/dbraw/zinc/86/99/96/1185869996.db2.gz DPRVWJCFENFCLH-RCCFBDPRSA-N 0 3 391.578 0.716 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN[C@]23C[C@H]2COC32CCC2)CC1 ZINC000933391660 1185870401 /nfs/dbraw/zinc/87/04/01/1185870401.db2.gz VSXDMUXTIUBIOY-VBKZILBWSA-N 0 3 397.483 0.313 20 0 GCADHN CO[C@@H](CS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCCC1 ZINC000656893043 1185872491 /nfs/dbraw/zinc/87/24/91/1185872491.db2.gz ACLNFNCAKRMVPA-KRWDZBQOSA-N 0 3 387.546 0.761 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)CCc2ccc(F)cc2)CC1 ZINC000656894502 1185873722 /nfs/dbraw/zinc/87/37/22/1185873722.db2.gz LVZDNDHUPKGIFS-UHFFFAOYSA-N 0 3 383.489 0.938 20 0 GCADHN CS(=O)(=O)N1CCC(CNC(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000891464466 1185882521 /nfs/dbraw/zinc/88/25/21/1185882521.db2.gz METXMDGLHRJUMN-QGZVFWFLSA-N 0 3 380.514 0.672 20 0 GCADHN CCOC(=O)N1CCN(C(=O)CN[C@@](C)(CO)Cc2ccc(OC)cc2)CC1 ZINC000933424938 1185885935 /nfs/dbraw/zinc/88/59/35/1185885935.db2.gz VBJNOYRRHJPLTL-HXUWFJFHSA-N 0 3 393.484 0.879 20 0 GCADHN C[C@](CO)(Cc1ccccc1F)NCC(=O)N1CCN(c2cnccn2)CC1 ZINC000933432170 1185888841 /nfs/dbraw/zinc/88/88/41/1185888841.db2.gz QDQSTXVQRNPKMV-HXUWFJFHSA-N 0 3 387.459 0.848 20 0 GCADHN C[C@@](CO)(Cc1ccc(F)cc1)NCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000933439060 1185892471 /nfs/dbraw/zinc/89/24/71/1185892471.db2.gz LWBLYDMHXZJDRW-FQEVSTJZSA-N 0 3 377.460 0.790 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C[S@](C)=O)cc2)CC1 ZINC000785068566 1185896450 /nfs/dbraw/zinc/89/64/50/1185896450.db2.gz ZYEBNENCGMNBMQ-PTFIGZPYSA-N 0 3 380.514 0.650 20 0 GCADHN COc1cccc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1OC ZINC000581777988 1185896914 /nfs/dbraw/zinc/89/69/14/1185896914.db2.gz BTZUDAPGLPEACH-INIZCTEOSA-N 0 3 393.484 0.889 20 0 GCADHN CN1CCN(C)CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000891505046 1185897519 /nfs/dbraw/zinc/89/75/19/1185897519.db2.gz FDPFSICBQDABFC-HXUWFJFHSA-N 0 3 389.544 0.776 20 0 GCADHN CCOc1ccc(-c2cn(C3CN(C(=O)NC[C@H]4CNCCO4)C3)nn2)cc1 ZINC000581777527 1185897712 /nfs/dbraw/zinc/89/77/12/1185897712.db2.gz QYEQTZDVHFOTPJ-QGZVFWFLSA-N 0 3 386.456 0.899 20 0 GCADHN COc1ccc([C@H]2CNCCN2C(=O)N[C@H](C)CN2CCN(C)CC2)cc1 ZINC000891529246 1185906171 /nfs/dbraw/zinc/90/61/71/1185906171.db2.gz VONNPHYMWVCBST-VQIMIIECSA-N 0 3 375.517 0.987 20 0 GCADHN C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@H]1CS(N)(=O)=O ZINC000891535626 1185908904 /nfs/dbraw/zinc/90/89/04/1185908904.db2.gz XHODZMGHXNHZJC-PVAVHDDUSA-N 0 3 382.530 0.725 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)NC2CC3(C2)CO[C@H](C)C3)CC1 ZINC000933531157 1185923711 /nfs/dbraw/zinc/92/37/11/1185923711.db2.gz MFVYTPMJGXYZPM-ZUIJCZDSSA-N 0 3 388.468 0.813 20 0 GCADHN Cc1nn(CN2CCC(CN3CCOCC3)CC2)c(=S)n1CC(=O)N(C)C ZINC000121484896 1185941175 /nfs/dbraw/zinc/94/11/75/1185941175.db2.gz OWUUIYGURTXMEA-UHFFFAOYSA-N 0 3 396.561 0.812 20 0 GCADHN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430668344 1185943624 /nfs/dbraw/zinc/94/36/24/1185943624.db2.gz RCSIHLHRBNBKCH-HZPDHXFCSA-N 0 3 399.495 0.504 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)C[C@@]2(CCCOC2)O1 ZINC000430676640 1185945042 /nfs/dbraw/zinc/94/50/42/1185945042.db2.gz OXPPSUHGCYIHAB-UYAOXDASSA-N 0 3 398.548 0.356 20 0 GCADHN CCOc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1OCC(=O)OC ZINC000581895528 1185954488 /nfs/dbraw/zinc/95/44/88/1185954488.db2.gz HZMQKFONYNGEEW-KGLIPLIRSA-N 0 3 391.424 0.021 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](CO)CC1 ZINC000293285393 1185959723 /nfs/dbraw/zinc/95/97/23/1185959723.db2.gz VOYQDMLNKBQATI-HOCLYGCPSA-N 0 3 383.514 0.476 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1cnc(N(C)C)n1C ZINC000083717537 1185960873 /nfs/dbraw/zinc/96/08/73/1185960873.db2.gz QKOUAKNEMMAWNJ-OAHLLOKOSA-N 0 3 379.509 0.228 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCOC4(CCC4)C3)C2)CC1 ZINC000581910225 1185972056 /nfs/dbraw/zinc/97/20/56/1185972056.db2.gz PCIIJXJWKBRHPZ-MSOLQXFVSA-N 0 3 392.544 0.831 20 0 GCADHN O=C(NCc1ccc(N2CCOCC2)nc1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000891696645 1185981560 /nfs/dbraw/zinc/98/15/60/1185981560.db2.gz UTSHSQKLLMTEHQ-ROUUACIJSA-N 0 3 389.500 0.659 20 0 GCADHN COC(=O)c1csc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000581923065 1185986904 /nfs/dbraw/zinc/98/69/04/1185986904.db2.gz NFUAGKZDPUAMOQ-UHFFFAOYSA-N 0 3 382.486 0.615 20 0 GCADHN COc1ccc2nccc(N3CCN(S(=O)(=O)N4CCOCC4)CC3)c2c1 ZINC000891708306 1185989912 /nfs/dbraw/zinc/98/99/12/1185989912.db2.gz WRFWHAMBTIJBJC-UHFFFAOYSA-N 0 3 392.481 0.942 20 0 GCADHN COc1cccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)C2)c1 ZINC000581955533 1186004795 /nfs/dbraw/zinc/00/47/95/1186004795.db2.gz QOVVCAOXAPLAJH-LESCRADOSA-N 0 3 387.484 0.617 20 0 GCADHN COc1cccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)C2)c1 ZINC000581955535 1186005175 /nfs/dbraw/zinc/00/51/75/1186005175.db2.gz QOVVCAOXAPLAJH-YXJHDRRASA-N 0 3 387.484 0.617 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCO[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000933643001 1186007302 /nfs/dbraw/zinc/00/73/02/1186007302.db2.gz XTWCVMACGVJYMW-IAGOWNOFSA-N 0 3 383.514 0.151 20 0 GCADHN CC(=O)NCCNC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000276739151 1186007393 /nfs/dbraw/zinc/00/73/93/1186007393.db2.gz CYEIYOOKRDBKRM-UHFFFAOYSA-N 0 3 389.500 0.716 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCO[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000933643002 1186007451 /nfs/dbraw/zinc/00/74/51/1186007451.db2.gz XTWCVMACGVJYMW-IRXDYDNUSA-N 0 3 383.514 0.151 20 0 GCADHN CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1)N1CCN(C)CC1 ZINC000891753941 1186011348 /nfs/dbraw/zinc/01/13/48/1186011348.db2.gz IRCCGGJTMIKCJD-HZPDHXFCSA-N 0 3 391.520 0.332 20 0 GCADHN CCS(=O)(=O)N1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000891756412 1186012201 /nfs/dbraw/zinc/01/22/01/1186012201.db2.gz OGJJGVYWHKCRJZ-JKSUJKDBSA-N 0 3 388.534 0.041 20 0 GCADHN CCN1C[C@@H](C)N(C(=O)COCC(=O)N2[C@H](C)CN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC000581967563 1186013360 /nfs/dbraw/zinc/01/33/60/1186013360.db2.gz XGHISZHKPBKCJQ-USTZCAOPSA-N 0 3 382.549 0.885 20 0 GCADHN CN1C(=O)c2ccc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2C1=O ZINC000328893189 1186013395 /nfs/dbraw/zinc/01/33/95/1186013395.db2.gz ABTSUAHPSXVBMK-UHFFFAOYSA-N 0 3 384.436 0.293 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCn4cnnc4[C@@H]3C)c2)CC1 ZINC000276750159 1186016257 /nfs/dbraw/zinc/01/62/57/1186016257.db2.gz FCPYHZGVAOWNOI-HNNXBMFYSA-N 0 3 397.483 0.962 20 0 GCADHN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)C1(CO)CCOCC1 ZINC000276756709 1186018942 /nfs/dbraw/zinc/01/89/42/1186018942.db2.gz ITVDVYRUISVPOE-KRWDZBQOSA-N 0 3 376.453 0.586 20 0 GCADHN CC(C)(C)[C@H](N)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000430713287 1186022289 /nfs/dbraw/zinc/02/22/89/1186022289.db2.gz GUULPGWSKNCUOB-OAHLLOKOSA-N 0 3 383.518 0.023 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000430771221 1186027385 /nfs/dbraw/zinc/02/73/85/1186027385.db2.gz CBDXAPHAIOXPCD-QGZVFWFLSA-N 0 3 380.533 0.548 20 0 GCADHN O=C(CN1CCNCC1=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000430786381 1186029192 /nfs/dbraw/zinc/02/91/92/1186029192.db2.gz ASSGATZOUUIOTL-UHFFFAOYSA-N 0 3 378.448 0.217 20 0 GCADHN Cc1cc(C)nc(SCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000328938672 1186034499 /nfs/dbraw/zinc/03/44/99/1186034499.db2.gz GTGWMQPIOLZPHD-UHFFFAOYSA-N 0 3 377.514 0.952 20 0 GCADHN CN(C)c1nc(N)nc(COc2cccc(NC(=O)C[C@@H]3CNCCO3)c2)n1 ZINC000430841494 1186038221 /nfs/dbraw/zinc/03/82/21/1186038221.db2.gz WQDGOSOULBGOSC-CQSZACIVSA-N 0 3 387.444 0.416 20 0 GCADHN CC[C@H](O)[C@@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000510629066 1186039454 /nfs/dbraw/zinc/03/94/54/1186039454.db2.gz KJGQRUWXHFMKTK-IRXDYDNUSA-N 0 3 383.514 0.618 20 0 GCADHN NC(=O)C1CCN(c2ncccc2CNC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000430882967 1186047665 /nfs/dbraw/zinc/04/76/65/1186047665.db2.gz NWADLNOHEVGOII-SFHVURJKSA-N 0 3 381.480 0.970 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCc2nncn2C)cc(N2CCN(C(C)C)CC2)c1 ZINC000276790725 1186061967 /nfs/dbraw/zinc/06/19/67/1186061967.db2.gz KVBUTWAWZGRDMT-UHFFFAOYSA-N 0 3 399.499 0.909 20 0 GCADHN O=C(NCc1ccnc(N2CCOCC2)c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891829654 1186069604 /nfs/dbraw/zinc/06/96/04/1186069604.db2.gz OVVRRSAXDPACOT-MSOLQXFVSA-N 0 3 389.500 0.659 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(S(=O)(=O)NC)cn2)CC1 ZINC000276802771 1186074032 /nfs/dbraw/zinc/07/40/32/1186074032.db2.gz MCIBIWXBNMRKAO-CQSZACIVSA-N 0 3 398.533 0.385 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C[C@H]1C ZINC000287340349 1186075945 /nfs/dbraw/zinc/07/59/45/1186075945.db2.gz MLXDHDNXRCMPON-BFYDXBDKSA-N 0 3 375.469 0.891 20 0 GCADHN COc1nn(C)cc1CNC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000933818102 1186086969 /nfs/dbraw/zinc/08/69/69/1186086969.db2.gz QCIAKROFLFQUFD-KRWDZBQOSA-N 0 3 385.468 0.778 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CCNC(=O)C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000276815905 1186088017 /nfs/dbraw/zinc/08/80/17/1186088017.db2.gz OTBJLKMJQLISKY-UHFFFAOYSA-N 0 3 387.484 0.422 20 0 GCADHN COc1ccc(CNC(=O)CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1OC ZINC000510754418 1186098688 /nfs/dbraw/zinc/09/86/88/1186098688.db2.gz RZMZCUYWVSIRER-GJZGRUSLSA-N 0 3 399.513 0.770 20 0 GCADHN O=C(CCNCCNS(=O)(=O)Cc1ccon1)Nc1cc(F)cc(F)c1 ZINC000562989373 1186101057 /nfs/dbraw/zinc/10/10/57/1186101057.db2.gz IQBVZYHLVZAXPD-UHFFFAOYSA-N 0 3 388.396 0.991 20 0 GCADHN CC1(C)CCN(CCNC(=O)C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)C1 ZINC000933845962 1186109252 /nfs/dbraw/zinc/10/92/52/1186109252.db2.gz ANVAQBMPOABEHH-KRWDZBQOSA-N 0 3 386.496 0.924 20 0 GCADHN COc1ccc(NC(=O)NC(=O)CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 ZINC000510783608 1186111651 /nfs/dbraw/zinc/11/16/51/1186111651.db2.gz UEYWZOVYPBGUSR-LSDHHAIUSA-N 0 3 398.485 0.793 20 0 GCADHN COC(=O)C1(NC(=O)CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CCCCC1 ZINC000510793647 1186112732 /nfs/dbraw/zinc/11/27/32/1186112732.db2.gz CXLMKBGBSNAPHS-KBPBESRZSA-N 0 3 389.518 0.429 20 0 GCADHN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C[C@@H]3CNCCO3)CC2)cc1 ZINC000431058988 1186113017 /nfs/dbraw/zinc/11/30/17/1186113017.db2.gz AUNWPYMGCKNLMD-QGZVFWFLSA-N 0 3 395.525 0.944 20 0 GCADHN COc1ccc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CN(C)C[C@@H](C)O2)nn1 ZINC001087181520 1186117662 /nfs/dbraw/zinc/11/76/62/1186117662.db2.gz VYXORGLLOGUTHX-XYVMCAHJSA-N 0 3 391.516 0.921 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCC(=O)N(C)C)cc(N2CCN(C(C)C)CC2)c1 ZINC000276846864 1186119579 /nfs/dbraw/zinc/11/95/79/1186119579.db2.gz UJNCFQDBKADJGL-UHFFFAOYSA-N 0 3 389.500 0.668 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891880316 1186121530 /nfs/dbraw/zinc/12/15/30/1186121530.db2.gz GZIDEMPQIJPSCY-KBPBESRZSA-N 0 3 388.440 0.779 20 0 GCADHN O=C(NCc1ccc(C(=O)NCCN2CCCC2)cc1)c1nc2ncccn2n1 ZINC000668534689 1186137532 /nfs/dbraw/zinc/13/75/32/1186137532.db2.gz YGYUCOORLSMHQA-UHFFFAOYSA-N 0 3 393.451 0.880 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)CC1 ZINC000276916407 1186146584 /nfs/dbraw/zinc/14/65/84/1186146584.db2.gz OCKHAOVNKUNAGA-QGZVFWFLSA-N 0 3 391.493 0.988 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CN(C)C(=O)[C@@H](C)n3cccn3)C2)CC1 ZINC000610727476 1186151306 /nfs/dbraw/zinc/15/13/06/1186151306.db2.gz PFKPLHUQPUBXMB-QZTJIDSGSA-N 0 3 390.532 0.529 20 0 GCADHN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000610727685 1186151359 /nfs/dbraw/zinc/15/13/59/1186151359.db2.gz VUWBXWFWWZQRDP-MRXNPFEDSA-N 0 3 394.541 0.883 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)CN(C)C(=O)[C@@H](C)n3cccn3)C2)CC1 ZINC000610727475 1186151525 /nfs/dbraw/zinc/15/15/25/1186151525.db2.gz PFKPLHUQPUBXMB-MSOLQXFVSA-N 0 3 390.532 0.529 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NN3CCCNC3=O)cc2)CC1 ZINC000276923516 1186153502 /nfs/dbraw/zinc/15/35/02/1186153502.db2.gz AIMJHEYELNUJLF-UHFFFAOYSA-N 0 3 388.472 0.209 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc3cc[nH]c32)CC1 ZINC000548464585 1186154799 /nfs/dbraw/zinc/15/47/99/1186154799.db2.gz DEDOVBRQFUJJOP-INIZCTEOSA-N 0 3 383.452 0.871 20 0 GCADHN COCCOc1ncccc1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000891913416 1186155360 /nfs/dbraw/zinc/15/53/60/1186155360.db2.gz WXEBEFOLPBJBTF-IRXDYDNUSA-N 0 3 378.473 0.847 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000610732234 1186155843 /nfs/dbraw/zinc/15/58/43/1186155843.db2.gz MKUHDYUVJKQNFA-OAHLLOKOSA-N 0 3 389.566 0.124 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)CC1 ZINC000471952362 1186159674 /nfs/dbraw/zinc/15/96/74/1186159674.db2.gz NDCCULHCRVLAHT-CABCVRRESA-N 0 3 386.500 0.823 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC1=O ZINC000548479743 1186171996 /nfs/dbraw/zinc/17/19/96/1186171996.db2.gz XLWDGQNCFOAHLP-INIZCTEOSA-N 0 3 388.516 0.731 20 0 GCADHN Cn1ccc(N2CC[C@@H](N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001022455358 1186176863 /nfs/dbraw/zinc/17/68/63/1186176863.db2.gz SJILVKXOKQSHHB-GYWKMRASSA-N 0 3 385.468 0.186 20 0 GCADHN Cc1cc(C(=O)NC[C@H]2NCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C ZINC000582002237 1186179522 /nfs/dbraw/zinc/17/95/22/1186179522.db2.gz VWKKXQIPYIYLIJ-MRXNPFEDSA-N 0 3 393.447 0.557 20 0 GCADHN COC[C@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000410444850 1186188117 /nfs/dbraw/zinc/18/81/17/1186188117.db2.gz IQQCJDCQXRZRII-FQEVSTJZSA-N 0 3 395.500 0.501 20 0 GCADHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001691353054 1186188684 /nfs/dbraw/zinc/18/86/84/1186188684.db2.gz VUEQYKXHFNDURZ-ZJIFWQFVSA-N 0 3 390.488 0.386 20 0 GCADHN O=C(Cc1cccc(F)c1)NCCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458097030 1186201138 /nfs/dbraw/zinc/20/11/38/1186201138.db2.gz CERPAQKJNBQLMF-QGZVFWFLSA-N 0 3 380.464 0.630 20 0 GCADHN C[C@H]1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CC[C@@H]1N1CCN(C)CC1 ZINC000535727377 1186204989 /nfs/dbraw/zinc/20/49/89/1186204989.db2.gz IQKURBWYMCXDCP-HOTGVXAUSA-N 0 3 386.562 0.479 20 0 GCADHN C[C@@H](NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NCc1ccco1 ZINC001691405570 1186211475 /nfs/dbraw/zinc/21/14/75/1186211475.db2.gz CUHWEIQXIXWHEE-YQFWSFKMSA-N 0 3 379.457 0.384 20 0 GCADHN O=C(CCCN1CCN(c2ccccc2)CC1)NCCNC(=O)c1ccn[nH]1 ZINC000180941487 1186220231 /nfs/dbraw/zinc/22/02/31/1186220231.db2.gz DZVMBCGDTHVQPW-UHFFFAOYSA-N 0 3 384.484 0.858 20 0 GCADHN COCCN(C)c1ccc(CNCc2ccc(C(=O)NCC(N)=O)cc2)cn1 ZINC000277000391 1186222329 /nfs/dbraw/zinc/22/23/29/1186222329.db2.gz YXJICHDIJXNJCM-UHFFFAOYSA-N 0 3 385.468 0.669 20 0 GCADHN COC(=O)[C@@H]1CN(C[C@H](O)C2(O)CCCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934045964 1186226060 /nfs/dbraw/zinc/22/60/60/1186226060.db2.gz MNLMNCRBXHVPJQ-GJZGRUSLSA-N 0 3 398.500 0.994 20 0 GCADHN COC(=O)[C@H]1CN(C[C@@H](O)C2(O)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000934046544 1186226077 /nfs/dbraw/zinc/22/60/77/1186226077.db2.gz XSWUGRZVNHBDOC-ZIAGYGMSSA-N 0 3 384.473 0.604 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)CO)cc(N2CCN(C(C)C)CC2)c1 ZINC000277095357 1186238853 /nfs/dbraw/zinc/23/88/53/1186238853.db2.gz ZMMWEGSKBMXUPB-SFHVURJKSA-N 0 3 392.500 0.276 20 0 GCADHN CCS(=O)(=O)NCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277113981 1186242210 /nfs/dbraw/zinc/24/22/10/1186242210.db2.gz XWWOKOVURKWVEZ-KRWDZBQOSA-N 0 3 398.529 0.516 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC000277130478 1186247075 /nfs/dbraw/zinc/24/70/75/1186247075.db2.gz ONVSAMHQKCFLNV-HRAATJIYSA-N 0 3 388.512 0.536 20 0 GCADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ccncc4)c3)C2)CC1 ZINC000610869777 1186248967 /nfs/dbraw/zinc/24/89/67/1186248967.db2.gz QQJDNSVUDAREBR-SFHVURJKSA-N 0 3 397.483 0.444 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000535847500 1186253896 /nfs/dbraw/zinc/25/38/96/1186253896.db2.gz QDMITVOBOHVDSF-QGZVFWFLSA-N 0 3 380.514 0.696 20 0 GCADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@]1(O)CCO[C@H]1C ZINC001707913287 1186269851 /nfs/dbraw/zinc/26/98/51/1186269851.db2.gz XCIQBBLOAXLTDJ-DOXZYTNZSA-N 0 3 379.505 0.816 20 0 GCADHN Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(C(N)=O)cc1 ZINC001707915228 1186273063 /nfs/dbraw/zinc/27/30/63/1186273063.db2.gz JTWNHNYUAPODAL-QGZVFWFLSA-N 0 3 384.484 0.892 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c(C)c1 ZINC000684633812 1186277243 /nfs/dbraw/zinc/27/72/43/1186277243.db2.gz WAGDBHQBWBNYGX-OAHLLOKOSA-N 0 3 388.468 0.659 20 0 GCADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C(=O)Nc1cnns1 ZINC000277199270 1186293204 /nfs/dbraw/zinc/29/32/04/1186293204.db2.gz WQCUDPVLDOIXMN-AWEZNQCLSA-N 0 3 375.454 0.884 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000156617098 1186294520 /nfs/dbraw/zinc/29/45/20/1186294520.db2.gz HQSMJOLQMNMCEZ-PBHICJAKSA-N 0 3 380.514 0.539 20 0 GCADHN Cn1cc(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1=O ZINC000277209591 1186294893 /nfs/dbraw/zinc/29/48/93/1186294893.db2.gz XUTYIXHQIJGSBC-GOSISDBHSA-N 0 3 398.463 0.731 20 0 GCADHN CCc1cnc(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)s1 ZINC000277218800 1186297276 /nfs/dbraw/zinc/29/72/76/1186297276.db2.gz LVXQIZMATSNIKY-UHFFFAOYSA-N 0 3 381.502 0.657 20 0 GCADHN CCn1c(N)c(C(=O)CN2C[C@H](SC)[C@@H](N3CCCC3)C2)c(=O)[nH]c1=O ZINC000548538981 1186306900 /nfs/dbraw/zinc/30/69/00/1186306900.db2.gz HJMZNKSDQRTQSU-AAEUAGOBSA-N 0 3 381.502 0.245 20 0 GCADHN CCn1c(N)c(C(=O)CN2C[C@@H](SC)[C@H](N3CCCC3)C2)c(=O)[nH]c1=O ZINC000548538982 1186306997 /nfs/dbraw/zinc/30/69/97/1186306997.db2.gz HJMZNKSDQRTQSU-DGCLKSJQSA-N 0 3 381.502 0.245 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccnn2[C@H]2CCOC2)CC1 ZINC000934127510 1186307190 /nfs/dbraw/zinc/30/71/90/1186307190.db2.gz XRUJZENOIFNMGG-LSDHHAIUSA-N 0 3 376.461 0.615 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000431279725 1186311266 /nfs/dbraw/zinc/31/12/66/1186311266.db2.gz HAUROLMEWMZPMC-SJORKVTESA-N 0 3 388.578 0.726 20 0 GCADHN CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277274273 1186314163 /nfs/dbraw/zinc/31/41/63/1186314163.db2.gz HRWHZVKIFQUVOE-MRXNPFEDSA-N 0 3 383.514 0.722 20 0 GCADHN CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCN(C)C)cc2)CC1 ZINC000431287906 1186321118 /nfs/dbraw/zinc/32/11/18/1186321118.db2.gz PISPKOUPCCYMPR-UHFFFAOYSA-N 0 3 389.500 0.010 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)C[C@@H]1N(C)C ZINC000277332088 1186335365 /nfs/dbraw/zinc/33/53/65/1186335365.db2.gz WOSHLBNRSNFQLK-RRQGHBQHSA-N 0 3 379.530 0.699 20 0 GCADHN COc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1N1CCNC1=O ZINC000472086778 1186337460 /nfs/dbraw/zinc/33/74/60/1186337460.db2.gz YDGBVZKDBPJOQY-HNNXBMFYSA-N 0 3 389.500 0.981 20 0 GCADHN CCOc1ccccc1C(=O)NCC(=O)N(C)CCCN1CCN(C)CC1 ZINC000156956700 1186337926 /nfs/dbraw/zinc/33/79/26/1186337926.db2.gz NLGIWEBIZINBEC-UHFFFAOYSA-N 0 3 376.501 0.911 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000548605594 1186338442 /nfs/dbraw/zinc/33/84/42/1186338442.db2.gz ZVBCQVBZUNFJQB-CADBVGFASA-N 0 3 398.548 0.474 20 0 GCADHN COc1cccc2c1CC[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C2 ZINC000277339532 1186340711 /nfs/dbraw/zinc/34/07/11/1186340711.db2.gz XYGACIYQRKQYTK-CGTJXYLNSA-N 0 3 380.510 0.640 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C)o1 ZINC000653186785 1186341192 /nfs/dbraw/zinc/34/11/92/1186341192.db2.gz PBDFRNGUXNGHLX-YDHLFZDLSA-N 0 3 385.486 0.855 20 0 GCADHN COc1cccc2c1CC[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C2 ZINC000277339552 1186341628 /nfs/dbraw/zinc/34/16/28/1186341628.db2.gz XYGACIYQRKQYTK-SZMVWBNQSA-N 0 3 380.510 0.640 20 0 GCADHN CC(C)c1ccccc1OCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582015009 1186342065 /nfs/dbraw/zinc/34/20/65/1186342065.db2.gz WWSNPENOUNBSRH-GOEBONIOSA-N 0 3 388.468 0.075 20 0 GCADHN O=C(NCCCn1nc2n(c1=O)CCCC2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892103334 1186343454 /nfs/dbraw/zinc/34/34/54/1186343454.db2.gz YJKJYWDSAUXEMU-JKSUJKDBSA-N 0 3 392.504 0.012 20 0 GCADHN CN1CC[C@](O)(CNC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)C1 ZINC000684702149 1186351044 /nfs/dbraw/zinc/35/10/44/1186351044.db2.gz QQMRDEDRQRVKPK-INIZCTEOSA-N 0 3 383.474 0.054 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000892120903 1186355494 /nfs/dbraw/zinc/35/54/94/1186355494.db2.gz NQPIOOXFPCAESQ-QZTJIDSGSA-N 0 3 390.484 0.666 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000472121275 1186364206 /nfs/dbraw/zinc/36/42/06/1186364206.db2.gz ZXYSWZXMQOZRFX-ZACQAIPSSA-N 0 3 378.517 0.694 20 0 GCADHN COc1cc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)ccc1OCCO ZINC000892135447 1186364548 /nfs/dbraw/zinc/36/45/48/1186364548.db2.gz RTTVACFIPQOSBR-DLBZAZTESA-N 0 3 393.484 0.807 20 0 GCADHN COc1cc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)ccc1OCCO ZINC000892135450 1186364682 /nfs/dbraw/zinc/36/46/82/1186364682.db2.gz RTTVACFIPQOSBR-IAGOWNOFSA-N 0 3 393.484 0.807 20 0 GCADHN NC(=O)N[C@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000277421080 1186375176 /nfs/dbraw/zinc/37/51/76/1186375176.db2.gz HKBVMRZBKCDYGG-IRXDYDNUSA-N 0 3 375.473 0.730 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000582038542 1186378600 /nfs/dbraw/zinc/37/86/00/1186378600.db2.gz SKRIJILLDLJFLL-QGZVFWFLSA-N 0 3 382.549 0.399 20 0 GCADHN COC(=O)c1cncc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)c1 ZINC000582040324 1186379265 /nfs/dbraw/zinc/37/92/65/1186379265.db2.gz DLBVXSSGPFMPDV-UHFFFAOYSA-N 0 3 384.502 0.515 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000277431848 1186379512 /nfs/dbraw/zinc/37/95/12/1186379512.db2.gz DXOWXEKKJBKWRB-UHFFFAOYSA-N 0 3 397.545 0.147 20 0 GCADHN CS(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000934254595 1186380180 /nfs/dbraw/zinc/38/01/80/1186380180.db2.gz YGZAQIIFALYURZ-DLBZAZTESA-N 0 3 381.498 0.560 20 0 GCADHN COc1ccc(CNC(=O)CN2CC[C@@H]3[C@@H]2CCCN3CCO)cc1OC ZINC000934252871 1186380503 /nfs/dbraw/zinc/38/05/03/1186380503.db2.gz OAGGTXWPHIDJFF-DLBZAZTESA-N 0 3 377.485 0.851 20 0 GCADHN O=C(CN1CC[C@@H]2[C@H]1CCCN2CCO)NC[C@H]1COc2ccccc2O1 ZINC000934252337 1186380723 /nfs/dbraw/zinc/38/07/23/1186380723.db2.gz KRFGTDMLBYGLCS-GVDBMIGSSA-N 0 3 375.469 0.474 20 0 GCADHN NC(=O)CSc1ccccc1NC(=O)CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934254343 1186380768 /nfs/dbraw/zinc/38/07/68/1186380768.db2.gz JKYZLJNBHMGUBA-HZPDHXFCSA-N 0 3 392.525 0.734 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000277449634 1186387719 /nfs/dbraw/zinc/38/77/19/1186387719.db2.gz KFMQDAKCSYZOCU-MSOLQXFVSA-N 0 3 390.484 0.434 20 0 GCADHN NC(=O)c1c2c(sc1NC(=O)CN1CC[C@@H]3[C@@H]1CCCN3CCO)CCC2 ZINC000934261409 1186389119 /nfs/dbraw/zinc/38/91/19/1186389119.db2.gz RPBMEWPQPMLSIL-UONOGXRCSA-N 0 3 392.525 0.805 20 0 GCADHN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000559468950 1186397061 /nfs/dbraw/zinc/39/70/61/1186397061.db2.gz RYQHNSVYYRUFGZ-LJQANCHMSA-N 0 3 388.512 0.695 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000582078569 1186400197 /nfs/dbraw/zinc/40/01/97/1186400197.db2.gz SBDPQQHHZWFJHS-IBGZPJMESA-N 0 3 395.525 0.545 20 0 GCADHN COc1ccccc1[C@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000157991738 1186410102 /nfs/dbraw/zinc/41/01/02/1186410102.db2.gz VGVHFJUWXJWGMF-AWEZNQCLSA-N 0 3 383.452 0.932 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3nc(Cc4ccccc4)cs3)CCN2C1=O ZINC000582133575 1186429478 /nfs/dbraw/zinc/42/94/78/1186429478.db2.gz BTRIMZZWSLLGAX-LSDHHAIUSA-N 0 3 399.476 0.443 20 0 GCADHN CC(=O)Nc1ccc(CNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cn1 ZINC000582143243 1186438389 /nfs/dbraw/zinc/43/83/89/1186438389.db2.gz JTZGRCYCCLDMKC-OAHLLOKOSA-N 0 3 375.473 0.893 20 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/nfs/dbraw/zinc/47/73/73/1186477373.db2.gz NOHVZUFORJTSCN-RYUDHWBXSA-N 0 3 375.454 0.891 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4ccccn4)cc3)CCN2C1=O ZINC000582252866 1186477590 /nfs/dbraw/zinc/47/75/90/1186477590.db2.gz USWQDJAVYCBAAH-JKSUJKDBSA-N 0 3 379.420 0.458 20 0 GCADHN O=C(NCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)c1ccccc1F ZINC000892233383 1186479222 /nfs/dbraw/zinc/47/92/22/1186479222.db2.gz PZUQPSNGCYUURR-SJORKVTESA-N 0 3 378.448 0.796 20 0 GCADHN COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N[C@@H]1CCC(=O)NC1=O ZINC001167559627 1186482719 /nfs/dbraw/zinc/48/27/19/1186482719.db2.gz JDHMRPIPVPEFCE-GXTWGEPZSA-N 0 3 392.456 0.404 20 0 GCADHN C[C@@H]1CN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H](C(N)=O)O1 ZINC000277531700 1186483232 /nfs/dbraw/zinc/48/32/32/1186483232.db2.gz SNFHXEVZUNNWNG-NXHRZFHOSA-N 0 3 390.484 0.562 20 0 GCADHN CNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000582276421 1186483272 /nfs/dbraw/zinc/48/32/72/1186483272.db2.gz HSZZLWSCFJFISM-OAHLLOKOSA-N 0 3 389.500 0.715 20 0 GCADHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582312935 1186493645 /nfs/dbraw/zinc/49/36/45/1186493645.db2.gz QGRBWJSTCZGUIX-JKSUJKDBSA-N 0 3 385.468 0.304 20 0 GCADHN COC(=O)c1cc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(C(=O)OC)c1 ZINC000582313120 1186494106 /nfs/dbraw/zinc/49/41/06/1186494106.db2.gz ZDSVBXZOAFYGDX-KBPBESRZSA-N 0 3 390.396 0.036 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)s1 ZINC000582380264 1186508497 /nfs/dbraw/zinc/50/84/97/1186508497.db2.gz UPBLCANQQFYHSH-CYBMUJFWSA-N 0 3 399.538 0.855 20 0 GCADHN Cn1c(=O)oc2c1cccc2NC(=O)NCCCCN1CCN(CCO)CC1 ZINC000511105704 1186508549 /nfs/dbraw/zinc/50/85/49/1186508549.db2.gz MRJUGCRWXGRPSO-UHFFFAOYSA-N 0 3 391.472 0.643 20 0 GCADHN O=C(CCN1CCCS1(=O)=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277578229 1186517863 /nfs/dbraw/zinc/51/78/63/1186517863.db2.gz YSPGBFRQXNPJGW-GOSISDBHSA-N 0 3 395.525 0.819 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1)N1CCCCC1 ZINC000582408708 1186523772 /nfs/dbraw/zinc/52/37/72/1186523772.db2.gz BXCBZOGZVVZXGE-UHFFFAOYSA-N 0 3 378.517 0.838 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000582412075 1186524783 /nfs/dbraw/zinc/52/47/83/1186524783.db2.gz MTNAMZSTZBSEEB-ARFHVFGLSA-N 0 3 381.517 0.922 20 0 GCADHN COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000611607079 1186536132 /nfs/dbraw/zinc/53/61/32/1186536132.db2.gz QVNRNYQNGOKUPE-SFHVURJKSA-N 0 3 395.481 0.974 20 0 GCADHN CO[C@@](C)([C@@H](C)NC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)C1CC1 ZINC000582481482 1186546772 /nfs/dbraw/zinc/54/67/72/1186546772.db2.gz IQOWIEXTTRFOEH-MMOPVJDHSA-N 0 3 394.560 0.933 20 0 GCADHN NC(=O)[C@@H]1CC[C@@H](CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)O1 ZINC000277643979 1186549403 /nfs/dbraw/zinc/54/94/03/1186549403.db2.gz MCFWDXOGTRWUFW-KSZLIROESA-N 0 3 390.484 0.610 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](CNCc2ccnn2C)C1 ZINC001087212118 1186550620 /nfs/dbraw/zinc/55/06/20/1186550620.db2.gz OKHKQUFOOMEIQY-LAVFITLUSA-N 0 3 391.516 0.773 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)CC1 ZINC000119879645 1186550705 /nfs/dbraw/zinc/55/07/05/1186550705.db2.gz PDAYIPMZBORFMW-FXAWDEMLSA-N 0 3 392.548 0.951 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1SC ZINC000582497973 1186551667 /nfs/dbraw/zinc/55/16/67/1186551667.db2.gz CGGXBHRSILVVPM-NWDGAFQWSA-N 0 3 378.454 0.126 20 0 GCADHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582498850 1186552067 /nfs/dbraw/zinc/55/20/67/1186552067.db2.gz YCYKVTLEKRVXLS-IAGOWNOFSA-N 0 3 382.468 0.671 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1C ZINC000370950682 1186555109 /nfs/dbraw/zinc/55/51/09/1186555109.db2.gz PGLWHJBPYLKSNO-OAHLLOKOSA-N 0 3 381.498 0.934 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1=O ZINC000582544845 1186561406 /nfs/dbraw/zinc/56/14/06/1186561406.db2.gz WAHNQPAPXZIPNC-AWEZNQCLSA-N 0 3 389.456 0.188 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)c1nnnn1-c1ccccc1 ZINC000582565042 1186568663 /nfs/dbraw/zinc/56/86/63/1186568663.db2.gz DQJIVIXFKUNBCJ-GOEBONIOSA-N 0 3 383.456 0.536 20 0 GCADHN C[C@@H]1[C@H](NC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)CCCN1C ZINC000431459551 1186578131 /nfs/dbraw/zinc/57/81/31/1186578131.db2.gz SCWOODXIHKEVOS-CZUORRHYSA-N 0 3 384.502 0.837 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000582609374 1186584431 /nfs/dbraw/zinc/58/44/31/1186584431.db2.gz OLHXGJOPUUUMEG-IAGOWNOFSA-N 0 3 380.514 0.984 20 0 GCADHN CCCCn1cc(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(C)n1 ZINC000582621089 1186588249 /nfs/dbraw/zinc/58/82/49/1186588249.db2.gz CMNLBEORVPDMHG-INIZCTEOSA-N 0 3 392.548 0.608 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CCOCC1 ZINC000582626656 1186589321 /nfs/dbraw/zinc/58/93/21/1186589321.db2.gz CXQXGZBHALUGOX-IRXDYDNUSA-N 0 3 394.516 0.073 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000431467853 1186594948 /nfs/dbraw/zinc/59/49/48/1186594948.db2.gz ARRBXXDFQPRGOX-DOTOQJQBSA-N 0 3 383.514 0.894 20 0 GCADHN NS(=O)(=O)c1ccsc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000611681378 1186599119 /nfs/dbraw/zinc/59/91/19/1186599119.db2.gz YCNZAFPHWHXBAU-QGZVFWFLSA-N 0 3 395.506 0.762 20 0 GCADHN CCOC(=O)c1ccc(N2CC(NC[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)C2)nc1 ZINC000582661976 1186602932 /nfs/dbraw/zinc/60/29/32/1186602932.db2.gz QFUXLEISNLBFJF-RKVPGOIHSA-N 0 3 392.500 0.507 20 0 GCADHN COC(=O)CCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)CC(C)C ZINC000116221559 1186603678 /nfs/dbraw/zinc/60/36/78/1186603678.db2.gz PVMVDDRDHBNSNY-UHFFFAOYSA-N 0 3 379.457 0.688 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)COc1ccccc1 ZINC000116622015 1186609869 /nfs/dbraw/zinc/60/98/69/1186609869.db2.gz RAEPLCVMQQPRQF-QGZVFWFLSA-N 0 3 390.484 0.241 20 0 GCADHN CN1CCN(C)[C@@H](CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000277788241 1186610256 /nfs/dbraw/zinc/61/02/56/1186610256.db2.gz ZXXJNDWNXPBUEP-VQTJNVASSA-N 0 3 389.544 0.823 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cncc(OCC(F)(F)F)n1)N1CCCC1 ZINC000657521139 1186610555 /nfs/dbraw/zinc/61/05/55/1186610555.db2.gz WSTGZYMARYEOSO-SNVBAGLBSA-N 0 3 375.351 0.957 20 0 GCADHN Cc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2)cc1 ZINC000153145122 1186627414 /nfs/dbraw/zinc/62/74/14/1186627414.db2.gz IEIANYYZWFDTDM-KRWDZBQOSA-N 0 3 397.483 0.414 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)CCN2C1=O ZINC000582736555 1186641853 /nfs/dbraw/zinc/64/18/53/1186641853.db2.gz AEZURDARTOULPT-VHSXEESVSA-N 0 3 392.366 0.209 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000153182912 1186642913 /nfs/dbraw/zinc/64/29/13/1186642913.db2.gz AACCWZPQRSBKTB-ZDUSSCGKSA-N 0 3 375.454 0.135 20 0 GCADHN CC(C)C(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000153185430 1186645419 /nfs/dbraw/zinc/64/54/19/1186645419.db2.gz PYWCOOQRVOPEAW-KRWDZBQOSA-N 0 3 378.517 0.646 20 0 GCADHN C[C@H]1c2cccn2CCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000657592897 1186658327 /nfs/dbraw/zinc/65/83/27/1186658327.db2.gz ZFVHNBDEFRLROJ-INIZCTEOSA-N 0 3 387.484 0.158 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(OC)cc(OC)c2)CC1=O ZINC000560589336 1186661767 /nfs/dbraw/zinc/66/17/67/1186661767.db2.gz IHQPVZDBCNFXKX-OAHLLOKOSA-N 0 3 379.457 0.613 20 0 GCADHN C[C@H](CN1CCOCC1)NC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000153290807 1186664870 /nfs/dbraw/zinc/66/48/70/1186664870.db2.gz RDGNJZAOXICASG-NEWSRXKRSA-N 0 3 376.501 0.642 20 0 GCADHN CCOC(=O)C1CCN(C(=O)CN2CCC(N3CCOC[C@@H]3C)CC2)CC1 ZINC000582794059 1186679322 /nfs/dbraw/zinc/67/93/22/1186679322.db2.gz AMMYFNFWLTVCCJ-INIZCTEOSA-N 0 3 381.517 0.973 20 0 GCADHN COc1cccc(N2C[C@H](NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)CC2=O)c1 ZINC000582803548 1186685226 /nfs/dbraw/zinc/68/52/26/1186685226.db2.gz YSRNJBFRWLOKAA-GDBMZVCRSA-N 0 3 386.452 0.223 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CNS(=O)(=O)c2ccccc2)CC1 ZINC000564497329 1186687303 /nfs/dbraw/zinc/68/73/03/1186687303.db2.gz LVQQCYYYJLUNSA-UHFFFAOYSA-N 0 3 383.514 0.971 20 0 GCADHN CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1 ZINC000277913499 1186698872 /nfs/dbraw/zinc/69/88/72/1186698872.db2.gz XOMKLBLTDWTSFE-HQRMLTQVSA-N 0 3 388.468 0.826 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)Cc1ccccc1 ZINC000048834056 1186700353 /nfs/dbraw/zinc/70/03/53/1186700353.db2.gz ZBROVQXOLHNJKJ-KRWDZBQOSA-N 0 3 398.463 0.778 20 0 GCADHN CCc1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n(C)n1 ZINC000120029300 1186703078 /nfs/dbraw/zinc/70/30/78/1186703078.db2.gz VNLBTHCVGRTYRL-QGZVFWFLSA-N 0 3 385.468 0.456 20 0 GCADHN COC(=O)CNC(=O)Cc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1 ZINC000277927357 1186707433 /nfs/dbraw/zinc/70/74/33/1186707433.db2.gz FNGCKOZDTBOUCL-LLVKDONJSA-N 0 3 387.314 0.896 20 0 GCADHN CCc1ccnc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000511214445 1186728619 /nfs/dbraw/zinc/72/86/19/1186728619.db2.gz KRDNIJWBOOXDOW-QGZVFWFLSA-N 0 3 387.484 0.025 20 0 GCADHN Cc1nc(Cn2nnc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)c2C)no1 ZINC000582911924 1186728705 /nfs/dbraw/zinc/72/87/05/1186728705.db2.gz UCIIITFGWJEQAB-UHFFFAOYSA-N 0 3 392.464 0.311 20 0 GCADHN O=S1(=O)CC[C@@](O)(CNCc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631148181 1186736981 /nfs/dbraw/zinc/73/69/81/1186736981.db2.gz KQBIQHWISVBXQF-GOSISDBHSA-N 0 3 384.498 0.037 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC[C@@H](O)Cc1ccccc1 ZINC000582959880 1186737645 /nfs/dbraw/zinc/73/76/45/1186737645.db2.gz QGWMXBZUAQBERG-SFHVURJKSA-N 0 3 378.494 0.993 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000582967710 1186738506 /nfs/dbraw/zinc/73/85/06/1186738506.db2.gz HLANGFWYMYIILP-UHFFFAOYSA-N 0 3 392.472 0.593 20 0 GCADHN Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582976635 1186740482 /nfs/dbraw/zinc/74/04/82/1186740482.db2.gz RWFKCGXYAHAVMV-GJZGRUSLSA-N 0 3 396.451 0.104 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)CCN2C1=O ZINC000582974923 1186740574 /nfs/dbraw/zinc/74/05/74/1186740574.db2.gz BPAPIHOOBYVGFN-KFWWJZLASA-N 0 3 391.859 0.399 20 0 GCADHN O=S(=O)(c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1)N1CCOCC1 ZINC000892319327 1186742663 /nfs/dbraw/zinc/74/26/63/1186742663.db2.gz LUINUNVFFXNCQE-MOPGFXCFSA-N 0 3 395.525 0.743 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@H](C)C2)CN1C1CC1 ZINC000582991019 1186743098 /nfs/dbraw/zinc/74/30/98/1186743098.db2.gz TTZAGCJSOVWCFL-VDCDIQELSA-N 0 3 392.544 0.828 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000582991018 1186743335 /nfs/dbraw/zinc/74/33/35/1186743335.db2.gz TTZAGCJSOVWCFL-NRUGXNMXSA-N 0 3 392.544 0.828 20 0 GCADHN C[C@@H](CNC(=O)CCn1cnc2sccc2c1=O)CN1CCN(C)CC1 ZINC000121891854 1186745243 /nfs/dbraw/zinc/74/52/43/1186745243.db2.gz LDNDHZIVLPZLNQ-AWEZNQCLSA-N 0 3 377.514 0.848 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000162245800 1186746175 /nfs/dbraw/zinc/74/61/75/1186746175.db2.gz QWMOTOZPKAFAMB-GOSISDBHSA-N 0 3 392.475 0.559 20 0 GCADHN Cc1cc(C)nc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000278026738 1186751595 /nfs/dbraw/zinc/75/15/95/1186751595.db2.gz GWVPUNDFYOZHBM-OAHLLOKOSA-N 0 3 375.473 0.696 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCOC[C@@H]1CC1CCC1 ZINC000458393467 1186775350 /nfs/dbraw/zinc/77/53/50/1186775350.db2.gz LEGKGOVQARBORZ-IBGZPJMESA-N 0 3 382.549 0.977 20 0 GCADHN COC[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)c1ccco1 ZINC000548788447 1186775788 /nfs/dbraw/zinc/77/57/88/1186775788.db2.gz DTQWUJSBOJZFMS-IAGOWNOFSA-N 0 3 392.500 0.710 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1CCNCc1cnnn1C ZINC001104444548 1186780504 /nfs/dbraw/zinc/78/05/04/1186780504.db2.gz XQQZMMRQEANLIV-OSBBLCOHSA-N 0 3 377.489 0.441 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCC[C@H]3c3ccccc3)CCN2C1=O ZINC000583155260 1186783542 /nfs/dbraw/zinc/78/35/42/1186783542.db2.gz URFGKLFMKNXYBL-XDNAFOTISA-N 0 3 384.480 0.599 20 0 GCADHN CC1CCC(N2CCN(C(=O)C(=O)NC[C@@H]3CN(C)CCN3C)CC2)CC1 ZINC000583161348 1186785522 /nfs/dbraw/zinc/78/55/22/1186785522.db2.gz TVFLSJQVWCTBBS-DAWZGUTISA-N 0 3 379.549 0.071 20 0 GCADHN Cc1cn2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)cc2n1 ZINC000657738855 1186790211 /nfs/dbraw/zinc/79/02/11/1186790211.db2.gz VGNYXFUWRCWAEQ-MRXNPFEDSA-N 0 3 398.467 0.346 20 0 GCADHN COCCN1C(=O)c2ccc(C(=O)N(C)CCN3CCCC3)cc2S1(=O)=O ZINC000728551623 1186793381 /nfs/dbraw/zinc/79/33/81/1186793381.db2.gz JOPMPXXHWSQCHR-UHFFFAOYSA-N 0 3 395.481 0.645 20 0 GCADHN CCOC(=O)c1sc2ncn(C[C@@H](O)CN(C)CCOC)c(=O)c2c1C ZINC000583215091 1186798134 /nfs/dbraw/zinc/79/81/34/1186798134.db2.gz ZCMNMWSYWZLXCV-LBPRGKRZSA-N 0 3 383.470 0.882 20 0 GCADHN COc1ccc(-c2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)[nH]n2)cc1OC ZINC000583214602 1186798282 /nfs/dbraw/zinc/79/82/82/1186798282.db2.gz HJGVUXJTRLUUBM-OLZOCXBDSA-N 0 3 385.424 0.478 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(Oc4ccncc4)cc3)CCN2C1=O ZINC000583214703 1186798925 /nfs/dbraw/zinc/79/89/25/1186798925.db2.gz JEDTYIFKVHCZIJ-RHSMWYFYSA-N 0 3 395.419 0.583 20 0 GCADHN NC(=O)c1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OCC(F)F)c1 ZINC000583214936 1186799513 /nfs/dbraw/zinc/79/95/13/1186799513.db2.gz KKCKZHKCNSUHMB-QWRGUYRKSA-N 0 3 397.382 0.205 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000278145475 1186801007 /nfs/dbraw/zinc/80/10/07/1186801007.db2.gz XAIGLRDRHJLSHX-CYBMUJFWSA-N 0 3 379.848 0.439 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)C1CCOCC1 ZINC000583224862 1186801132 /nfs/dbraw/zinc/80/11/32/1186801132.db2.gz USRHEEWESFMQDO-MOPGFXCFSA-N 0 3 394.560 0.935 20 0 GCADHN CCNS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCN(CCOC)C2)c1 ZINC000458447600 1186805586 /nfs/dbraw/zinc/80/55/86/1186805586.db2.gz WODXUOACSJZGEP-OAHLLOKOSA-N 0 3 384.502 0.505 20 0 GCADHN CN(C)C(=O)CNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000155039198 1186807009 /nfs/dbraw/zinc/80/70/09/1186807009.db2.gz BNQNPLULASPVGT-KRWDZBQOSA-N 0 3 388.516 0.713 20 0 GCADHN CCOc1cccc(CNC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000162762005 1186807184 /nfs/dbraw/zinc/80/71/84/1186807184.db2.gz LHQXRMFHQQHENH-IBGZPJMESA-N 0 3 388.512 0.940 20 0 GCADHN CN(C)CCn1cc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1=O ZINC000535983760 1186814143 /nfs/dbraw/zinc/81/41/43/1186814143.db2.gz QSEWLTQLYVYUAV-IYBDPMFKSA-N 0 3 388.468 0.914 20 0 GCADHN CN(C)C[C@H]1CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CCO1 ZINC000155340200 1186814365 /nfs/dbraw/zinc/81/43/65/1186814365.db2.gz XATRMCGQVKKSLP-HNNXBMFYSA-N 0 3 380.514 0.295 20 0 GCADHN CN(C)CCn1cc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1=O ZINC000535983759 1186814371 /nfs/dbraw/zinc/81/43/71/1186814371.db2.gz QSEWLTQLYVYUAV-HZPDHXFCSA-N 0 3 388.468 0.914 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000150875753 1186819053 /nfs/dbraw/zinc/81/90/53/1186819053.db2.gz YFGFBISWIJLVEB-XJKSGUPXSA-N 0 3 379.486 0.506 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000148597514 1186819389 /nfs/dbraw/zinc/81/93/89/1186819389.db2.gz XVKGUIXEPIGSPE-UHFFFAOYSA-N 0 3 382.848 0.604 20 0 GCADHN CCN1CCN([C@@H]2CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000155666568 1186821139 /nfs/dbraw/zinc/82/11/39/1186821139.db2.gz NDAJNAGIJBCTNF-QWHCGFSZSA-N 0 3 379.427 0.475 20 0 GCADHN CCN1CCN([C@H]2CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000155666678 1186821211 /nfs/dbraw/zinc/82/12/11/1186821211.db2.gz NDAJNAGIJBCTNF-STQMWFEESA-N 0 3 379.427 0.475 20 0 GCADHN C[C@H]1COCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001708259834 1186822661 /nfs/dbraw/zinc/82/26/61/1186822661.db2.gz HNLKWNGEHPYYOW-LSDHHAIUSA-N 0 3 399.561 0.993 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000148615328 1186835210 /nfs/dbraw/zinc/83/52/10/1186835210.db2.gz KXZNQMPGSMDMIT-UHFFFAOYSA-N 0 3 389.456 0.382 20 0 GCADHN CC[C@@H](C)N[C@@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccco1 ZINC000583400496 1186845314 /nfs/dbraw/zinc/84/53/14/1186845314.db2.gz DURDBNFGRUSWEL-OCCSQVGLSA-N 0 3 383.474 0.537 20 0 GCADHN COc1ccc(Nc2cc(N3CCN4C(=O)[C@@H](N)C[C@H]4C3)ncn2)c(OC)c1 ZINC000583451973 1186857682 /nfs/dbraw/zinc/85/76/82/1186857682.db2.gz OOVHZVIYSUXCEC-JSGCOSHPSA-N 0 3 384.440 0.986 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000278262735 1186859196 /nfs/dbraw/zinc/85/91/96/1186859196.db2.gz WSLZWDURJMLFEY-FUHWJXTLSA-N 0 3 393.484 0.559 20 0 GCADHN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(CC2CC2)CC1 ZINC000329220797 1186879336 /nfs/dbraw/zinc/87/93/36/1186879336.db2.gz BOOALPXZMLHTLX-SFHVURJKSA-N 0 3 378.517 0.254 20 0 GCADHN O=C1N[C@@H](CN2CCCCC2)C(=O)N1CCNS(=O)(=O)Cc1ccccc1 ZINC000924478634 1186881889 /nfs/dbraw/zinc/88/18/89/1186881889.db2.gz OXUMHQYABLNFFW-INIZCTEOSA-N 0 3 394.497 0.512 20 0 GCADHN CNC(=O)c1cc(NC(=O)C(=O)NC2CCN(CCOC)CC2)ccc1Cl ZINC000148656487 1186882923 /nfs/dbraw/zinc/88/29/23/1186882923.db2.gz OAPJJGCNEOUSJZ-UHFFFAOYSA-N 0 3 396.875 0.865 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000545156672 1186884533 /nfs/dbraw/zinc/88/45/33/1186884533.db2.gz YPXQCWOYRCZFKY-GOSISDBHSA-N 0 3 383.514 0.822 20 0 GCADHN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)N[C@H]1CCCN(CCCO)C1 ZINC000458594507 1186889940 /nfs/dbraw/zinc/88/99/40/1186889940.db2.gz XEUAFCSMZXKLSA-QWHCGFSZSA-N 0 3 380.411 0.686 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000685166296 1186896834 /nfs/dbraw/zinc/89/68/34/1186896834.db2.gz LEDJDGDWEIPDNW-IIAWOOMASA-N 0 3 390.488 0.021 20 0 GCADHN COc1cc(OC)c(OC)cc1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583642661 1186906494 /nfs/dbraw/zinc/90/64/94/1186906494.db2.gz PRRUCXFKGOVFDC-QWHCGFSZSA-N 0 3 378.429 0.166 20 0 GCADHN C[C@@H](CNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)CN1CCOCC1 ZINC000163321529 1186909025 /nfs/dbraw/zinc/90/90/25/1186909025.db2.gz GXPBXXQISINQTM-FXAWDEMLSA-N 0 3 390.528 0.673 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000278370047 1186916200 /nfs/dbraw/zinc/91/62/00/1186916200.db2.gz SKBTYLIDWFGILN-XKGZKEIXSA-N 0 3 396.484 0.731 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000278370053 1186916261 /nfs/dbraw/zinc/91/62/61/1186916261.db2.gz SKBTYLIDWFGILN-YVWKXTFCSA-N 0 3 396.484 0.731 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000278370042 1186916290 /nfs/dbraw/zinc/91/62/90/1186916290.db2.gz SKBTYLIDWFGILN-IMFGXOCKSA-N 0 3 396.484 0.731 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3C[C@H](c4cc(F)cc(F)c4)C3)CCN2C1=O ZINC000583705379 1186923834 /nfs/dbraw/zinc/92/38/34/1186923834.db2.gz WSENYWXMWVBIME-RAEVTNRLSA-N 0 3 392.406 0.097 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000278400121 1186931066 /nfs/dbraw/zinc/93/10/66/1186931066.db2.gz WHSCMBFPBMYCFB-DFQSSKMNSA-N 0 3 393.528 0.751 20 0 GCADHN NC(=O)c1ccsc1NC(=O)CCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000728576416 1186934415 /nfs/dbraw/zinc/93/44/15/1186934415.db2.gz RTFCJNYSQFEEDL-UHFFFAOYSA-N 0 3 393.513 0.416 20 0 GCADHN C[C@H](OCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1 ZINC000583764259 1186934724 /nfs/dbraw/zinc/93/47/24/1186934724.db2.gz CSPFEAUKLFPDSB-BHYGNILZSA-N 0 3 388.468 0.041 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCc2sc(C)nc2C)CC1 ZINC000583767732 1186936309 /nfs/dbraw/zinc/93/63/09/1186936309.db2.gz SBUNSOZGOBLTCN-AWEZNQCLSA-N 0 3 395.573 0.808 20 0 GCADHN COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000408430920 1186940897 /nfs/dbraw/zinc/94/08/97/1186940897.db2.gz ABGDZZFPSRNZEC-HNNXBMFYSA-N 0 3 381.498 0.931 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1=O ZINC000458691089 1186945384 /nfs/dbraw/zinc/94/53/84/1186945384.db2.gz LJGYKRFOYWBZHO-JKSUJKDBSA-N 0 3 392.504 0.544 20 0 GCADHN CO[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000583818594 1186945528 /nfs/dbraw/zinc/94/55/28/1186945528.db2.gz LXKHHIBHAQEYGR-NEPJUHHUSA-N 0 3 378.429 0.634 20 0 GCADHN CCc1cc(N2CCC[C@@H](NC(=O)N3CCO[C@@H](CN(C)C)C3)C2)ncn1 ZINC000247067606 1186946565 /nfs/dbraw/zinc/94/65/65/1186946565.db2.gz KOYXHXPADWJECS-SJORKVTESA-N 0 3 376.505 0.980 20 0 GCADHN CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3C[C@H]4CN(C)C[C@H]4C3)ccc2O1 ZINC000278474109 1186955671 /nfs/dbraw/zinc/95/56/71/1186955671.db2.gz ZZFKMWAHLBJSJN-VBQJREDUSA-N 0 3 380.466 0.735 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCc2c1cnn2C ZINC000583949131 1186967198 /nfs/dbraw/zinc/96/71/98/1186967198.db2.gz NAFPEXSAVUAIPO-ZBFHGGJFSA-N 0 3 377.489 0.483 20 0 GCADHN Cc1ccc(CN2CCCN(C(=O)CN3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC000583976142 1186970617 /nfs/dbraw/zinc/97/06/17/1186970617.db2.gz PEMCQEJQEYHSDW-HDICACEKSA-N 0 3 384.480 0.234 20 0 GCADHN C[C@H](NC(=O)c1ccccc1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000536181598 1186974300 /nfs/dbraw/zinc/97/43/00/1186974300.db2.gz ZPWBNLWXJASJON-KRWDZBQOSA-N 0 3 376.501 0.311 20 0 GCADHN CSc1cccc(N2C[C@H](C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2=O)c1 ZINC000584005362 1186978211 /nfs/dbraw/zinc/97/82/11/1186978211.db2.gz QXXMYHCJDAPMDI-IVMMDQJWSA-N 0 3 388.493 0.532 20 0 GCADHN COCC(=O)N(C)CC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000536193105 1186981959 /nfs/dbraw/zinc/98/19/59/1186981959.db2.gz SKEJBVPFUQFYFH-UHFFFAOYSA-N 0 3 390.484 0.233 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000569639180 1186985536 /nfs/dbraw/zinc/98/55/36/1186985536.db2.gz FMDKINYVVPRKCZ-MRXNPFEDSA-N 0 3 376.505 0.435 20 0 GCADHN O=C(CNC[C@H](O)CN1C(=O)c2ccccc2C1=O)N1CCc2ccccc2C1 ZINC000584048038 1186988438 /nfs/dbraw/zinc/98/84/38/1186988438.db2.gz AGNVPDCPZRVRIM-KRWDZBQOSA-N 0 3 393.443 0.818 20 0 GCADHN COC[C@H](N[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCCO1 ZINC000278608598 1186992788 /nfs/dbraw/zinc/99/27/88/1186992788.db2.gz DIECAWJDSHQKCO-PMPSAXMXSA-N 0 3 379.457 0.736 20 0 GCADHN CC1=CCN(CCNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 ZINC000548817226 1186993920 /nfs/dbraw/zinc/99/39/20/1186993920.db2.gz ZXIWHQJNZCZOOV-LJQANCHMSA-N 0 3 391.560 0.382 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCO[C@@H](COC(C)C)C2)CC1 ZINC000584103867 1187000312 /nfs/dbraw/zinc/00/03/12/1187000312.db2.gz UUXRHKXHDAKPAU-QZTJIDSGSA-N 0 3 398.548 0.029 20 0 GCADHN CN1CCN(c2ncccc2CNC(=O)N2CCN(C)CCN(C)CC2)CC1 ZINC000892370159 1187001783 /nfs/dbraw/zinc/00/17/83/1187001783.db2.gz NKUTUBPKBNOVFT-UHFFFAOYSA-N 0 3 389.548 0.222 20 0 GCADHN CN(C)Cc1cccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]32)c1 ZINC000972594452 1187003602 /nfs/dbraw/zinc/00/36/02/1187003602.db2.gz RYBFASNSJHJUIN-ZJPYXAASSA-N 0 3 384.480 0.543 20 0 GCADHN COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000278653892 1187008047 /nfs/dbraw/zinc/00/80/47/1187008047.db2.gz PYQOLUIFINJDMN-ZWKOTPCHSA-N 0 3 375.469 0.641 20 0 GCADHN C[C@@H](Cn1cncn1)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000657833730 1187010178 /nfs/dbraw/zinc/01/01/78/1187010178.db2.gz CDMKQTJMQJWNTF-HNNXBMFYSA-N 0 3 379.486 0.618 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CC(=O)N1C ZINC000584191736 1187014259 /nfs/dbraw/zinc/01/42/59/1187014259.db2.gz BNJRXAIFZVIPFM-MRXNPFEDSA-N 0 3 378.517 0.838 20 0 GCADHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000584207069 1187015281 /nfs/dbraw/zinc/01/52/81/1187015281.db2.gz XUBWKUBLWMGMKT-UHFFFAOYSA-N 0 3 399.561 0.881 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(OC)c(OC)cc2C)CC1=O ZINC000584259467 1187022314 /nfs/dbraw/zinc/02/23/14/1187022314.db2.gz OABKMYWGTPENHH-HNNXBMFYSA-N 0 3 393.484 0.921 20 0 GCADHN CC(C)N1CCCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001745111236 1187026063 /nfs/dbraw/zinc/02/60/63/1187026063.db2.gz BZYVAZGAFVUEKZ-XLAORIBOSA-N 0 3 381.517 0.875 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)CCN2C1=O ZINC000584302821 1187028650 /nfs/dbraw/zinc/02/86/50/1187028650.db2.gz OPQGKPUPAYCCPN-JSGCOSHPSA-N 0 3 394.859 0.955 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000584335997 1187034341 /nfs/dbraw/zinc/03/43/41/1187034341.db2.gz OESGPDTXUXLCTC-QGZVFWFLSA-N 0 3 378.473 0.918 20 0 GCADHN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N1CCCNCC1 ZINC000584338999 1187034860 /nfs/dbraw/zinc/03/48/60/1187034860.db2.gz ZRMFEEIQPNWOTI-UHFFFAOYSA-N 0 3 380.470 0.232 20 0 GCADHN COc1ccc(-c2noc(CCC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)n2)cc1 ZINC000584361816 1187040524 /nfs/dbraw/zinc/04/05/24/1187040524.db2.gz DWLKIAPYCVRUNU-DZGCQCFKSA-N 0 3 385.424 0.448 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)CC(=O)N3C)CC1 ZINC000278739505 1187040891 /nfs/dbraw/zinc/04/08/91/1187040891.db2.gz MPPKNJVMSUFMRX-QGZVFWFLSA-N 0 3 385.468 0.976 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000584377642 1187043724 /nfs/dbraw/zinc/04/37/24/1187043724.db2.gz YRCBNEJLPKEXGI-KURKYZTESA-N 0 3 392.544 0.546 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCn2ncc(=O)c3ccccc32)CC1 ZINC000152719582 1187044079 /nfs/dbraw/zinc/04/40/79/1187044079.db2.gz WQWSUTNCQIGGEG-GOSISDBHSA-N 0 3 397.479 0.552 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000611838172 1187046330 /nfs/dbraw/zinc/04/63/30/1187046330.db2.gz HBZQJSCIHJZPKF-CVEARBPZSA-N 0 3 378.517 0.694 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000611838173 1187046524 /nfs/dbraw/zinc/04/65/24/1187046524.db2.gz HBZQJSCIHJZPKF-HOTGVXAUSA-N 0 3 378.517 0.694 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000081996271 1187049548 /nfs/dbraw/zinc/04/95/48/1187049548.db2.gz SWRGGDLMLPQSFQ-UHFFFAOYSA-N 0 3 379.505 0.777 20 0 GCADHN Cc1cc(C)n(CCCNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000136287282 1187049784 /nfs/dbraw/zinc/04/97/84/1187049784.db2.gz UWOWUHXIAWVKTJ-QGZVFWFLSA-N 0 3 376.505 0.838 20 0 GCADHN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)NC[C@H]3CNCCO3)CC2)c1 ZINC000562820411 1187050118 /nfs/dbraw/zinc/05/01/18/1187050118.db2.gz IHAQTHSUYBSRJH-SJLPKXTDSA-N 0 3 390.484 0.605 20 0 GCADHN CCC(CC)[C@@H](CNC(=O)C(=O)N(C)CCN1CCCC1)N1CCOCC1 ZINC000584399369 1187050376 /nfs/dbraw/zinc/05/03/76/1187050376.db2.gz ZHCWDJQFSWLNCV-GOSISDBHSA-N 0 3 382.549 0.794 20 0 GCADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000083694601 1187051906 /nfs/dbraw/zinc/05/19/06/1187051906.db2.gz SZQZNKSTQTWRHC-RBUKOAKNSA-N 0 3 376.501 0.595 20 0 GCADHN CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000083694595 1187052205 /nfs/dbraw/zinc/05/22/05/1187052205.db2.gz SZQZNKSTQTWRHC-OALUTQOASA-N 0 3 376.501 0.595 20 0 GCADHN C[C@H](Cn1cncn1)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000657857766 1187054263 /nfs/dbraw/zinc/05/42/63/1187054263.db2.gz WJRIDSUCERAERZ-GDBMZVCRSA-N 0 3 379.486 0.914 20 0 GCADHN C[C@@H](Cn1cncn1)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000657857769 1187054511 /nfs/dbraw/zinc/05/45/11/1187054511.db2.gz WJRIDSUCERAERZ-GOEBONIOSA-N 0 3 379.486 0.914 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN(C)c2ncnc3nc[nH]c32)C[C@@H](C)O1 ZINC000085456180 1187055124 /nfs/dbraw/zinc/05/51/24/1187055124.db2.gz UBBUCEMKLRCVQR-ZIAGYGMSSA-N 0 3 375.477 0.795 20 0 GCADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000584422193 1187057108 /nfs/dbraw/zinc/05/71/08/1187057108.db2.gz PNCYRJFLUPMQCE-JLSDUUJJSA-N 0 3 389.475 0.107 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)N1CCCC1 ZINC000584437852 1187063259 /nfs/dbraw/zinc/06/32/59/1187063259.db2.gz ZQLBRVUPFUUYNE-ZDUSSCGKSA-N 0 3 394.497 0.548 20 0 GCADHN O=C(NC[C@H]1CCCCN1C1CC1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000584438103 1187064388 /nfs/dbraw/zinc/06/43/88/1187064388.db2.gz KHJOTYIWPASFRY-GOSISDBHSA-N 0 3 378.517 0.443 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000144483525 1187082483 /nfs/dbraw/zinc/08/24/83/1187082483.db2.gz JVUOAERMZSYVCJ-CQSZACIVSA-N 0 3 396.513 0.232 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000144369201 1187082496 /nfs/dbraw/zinc/08/24/96/1187082496.db2.gz KYYUUXGVJZQVHE-HOCLYGCPSA-N 0 3 383.489 0.261 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)[C@@H]1CN(C)CCO1 ZINC000685338697 1187107250 /nfs/dbraw/zinc/10/72/50/1187107250.db2.gz DZKGJMYFPBLCHW-CFVMTHIKSA-N 0 3 390.488 0.223 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@@H]1CN(C)CCO1 ZINC000685344484 1187110178 /nfs/dbraw/zinc/11/01/78/1187110178.db2.gz XLNMNEYCEYXDGS-QAPCUYQASA-N 0 3 394.491 0.551 20 0 GCADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@@H]1CN(C)CCO1 ZINC000685344485 1187110632 /nfs/dbraw/zinc/11/06/32/1187110632.db2.gz XLNMNEYCEYXDGS-YJBOKZPZSA-N 0 3 394.491 0.551 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCCN3C)CC2)cc1 ZINC000139318273 1187116349 /nfs/dbraw/zinc/11/63/49/1187116349.db2.gz ZQEBFXNDIUFKNC-OAHLLOKOSA-N 0 3 396.513 0.805 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCc2nnc3n2CCOC3)C1 ZINC000685484576 1187135225 /nfs/dbraw/zinc/13/52/25/1187135225.db2.gz JWMXMGYWRNRWPM-INIZCTEOSA-N 0 3 398.467 0.157 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000685520534 1187143486 /nfs/dbraw/zinc/14/34/86/1187143486.db2.gz JOEMJELXRCINKD-SFHVURJKSA-N 0 3 387.528 0.962 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000685520565 1187143561 /nfs/dbraw/zinc/14/35/61/1187143561.db2.gz MTEBNDYUOGVQQU-JKSUJKDBSA-N 0 3 378.517 0.836 20 0 GCADHN CS(=O)(=O)N1CCC(CC(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)CC1 ZINC000655457509 1187143689 /nfs/dbraw/zinc/14/36/89/1187143689.db2.gz CBBYRVISBXIYRV-UHFFFAOYSA-N 0 3 392.485 0.931 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000685520563 1187143767 /nfs/dbraw/zinc/14/37/67/1187143767.db2.gz MTEBNDYUOGVQQU-HOTGVXAUSA-N 0 3 378.517 0.836 20 0 GCADHN O=C(NC[C@H]1NCCc2ccccc21)N1CCN(c2ccc3nncn3n2)CC1 ZINC000564786318 1187148936 /nfs/dbraw/zinc/14/89/36/1187148936.db2.gz BYARMNNAQZJDSO-QGZVFWFLSA-N 0 3 392.467 0.843 20 0 GCADHN COC(=O)[C@@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@@H]1C(=O)OC ZINC000511301921 1187149191 /nfs/dbraw/zinc/14/91/91/1187149191.db2.gz BVPZIVRZUZBVRN-WBVHZDCISA-N 0 3 396.484 0.975 20 0 GCADHN C[C@H](CN1CCN(C)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000892401532 1187153964 /nfs/dbraw/zinc/15/39/64/1187153964.db2.gz FXNQEQJLWNLSDD-MRXNPFEDSA-N 0 3 382.530 0.755 20 0 GCADHN CNC(=O)CCCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000143151615 1187157622 /nfs/dbraw/zinc/15/76/22/1187157622.db2.gz QLYSVDWOIZICPD-UHFFFAOYSA-N 0 3 392.525 0.859 20 0 GCADHN CNS(=O)(=O)c1ccc(CNCCN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC001691481226 1187176346 /nfs/dbraw/zinc/17/63/46/1187176346.db2.gz DADOSMYVBOJQBJ-OIISXLGYSA-N 0 3 381.498 0.710 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(OCCO)c2)CCN(C2CCC2)C1 ZINC000657964812 1187219082 /nfs/dbraw/zinc/21/90/82/1187219082.db2.gz OUJPDGZIYDDAMP-AWEZNQCLSA-N 0 3 376.457 0.724 20 0 GCADHN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000585723087 1187227458 /nfs/dbraw/zinc/22/74/58/1187227458.db2.gz XMCIPBKYBSACGB-KUHUBIRLSA-N 0 3 399.557 0.978 20 0 GCADHN CCOC(=O)C1CCC(NC(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000585721269 1187227583 /nfs/dbraw/zinc/22/75/83/1187227583.db2.gz KAAVERBPRNEUBM-UHFFFAOYSA-N 0 3 396.532 0.368 20 0 GCADHN CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)NCC2(N(C)C)CC2)cc1 ZINC000658018795 1187232730 /nfs/dbraw/zinc/23/27/30/1187232730.db2.gz LUXWUKRQOKQGSQ-UHFFFAOYSA-N 0 3 382.486 0.621 20 0 GCADHN NS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000612001471 1187233486 /nfs/dbraw/zinc/23/34/86/1187233486.db2.gz HGWCJPGPPMYISZ-HNNXBMFYSA-N 0 3 396.513 0.497 20 0 GCADHN NS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000612001474 1187233614 /nfs/dbraw/zinc/23/36/14/1187233614.db2.gz HGWCJPGPPMYISZ-OAHLLOKOSA-N 0 3 396.513 0.497 20 0 GCADHN CCS(=O)(=O)N(C)c1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000658020697 1187233658 /nfs/dbraw/zinc/23/36/58/1187233658.db2.gz BRTDFRIAUCLTMK-INIZCTEOSA-N 0 3 396.513 0.964 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000612033757 1187242140 /nfs/dbraw/zinc/24/21/40/1187242140.db2.gz HCFSEEFKGUHYPX-HNNXBMFYSA-N 0 3 385.468 0.547 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CCn2cnc3c2ncnc3N)C[C@H](C)O1 ZINC000612055289 1187244249 /nfs/dbraw/zinc/24/42/49/1187244249.db2.gz FCRKUNQSCOQBRS-OKILXGFUSA-N 0 3 375.477 0.804 20 0 GCADHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000612045569 1187245159 /nfs/dbraw/zinc/24/51/59/1187245159.db2.gz VDHBALJYRNXBJB-OALUTQOASA-N 0 3 392.544 0.690 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1C ZINC000658262241 1187262562 /nfs/dbraw/zinc/26/25/62/1187262562.db2.gz BLPVCCOEGDJMSI-ZDUSSCGKSA-N 0 3 396.513 0.831 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1C ZINC000658262239 1187262794 /nfs/dbraw/zinc/26/27/94/1187262794.db2.gz BLPVCCOEGDJMSI-CYBMUJFWSA-N 0 3 396.513 0.831 20 0 GCADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N[C@H]3CCN(C(C)(C)C)C3)cc2)c1=O ZINC000658265378 1187262809 /nfs/dbraw/zinc/26/28/09/1187262809.db2.gz YTEGFMGTCLWJSP-AWEZNQCLSA-N 0 3 386.456 0.499 20 0 GCADHN CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000647388247 1187266716 /nfs/dbraw/zinc/26/67/16/1187266716.db2.gz HZDXAGKDHXVEPL-XHSDSOJGSA-N 0 3 376.505 0.933 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC000972841071 1187273750 /nfs/dbraw/zinc/27/37/50/1187273750.db2.gz VBBSSMZMFZVBDV-LHHMISFZSA-N 0 3 379.501 0.582 20 0 GCADHN c1cc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2C[C@H]2CCOC2)n[nH]1 ZINC000612157697 1187317472 /nfs/dbraw/zinc/31/74/72/1187317472.db2.gz MERHDONGHYGCRE-JKSUJKDBSA-N 0 3 387.488 0.863 20 0 GCADHN CCn1cc(CNC(=O)C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)nn1 ZINC000658529507 1187326735 /nfs/dbraw/zinc/32/67/35/1187326735.db2.gz OJZMWLKVRWACAH-UHFFFAOYSA-N 0 3 399.499 0.690 20 0 GCADHN CCCNC(=O)c1cccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000148599732 1187328096 /nfs/dbraw/zinc/32/80/96/1187328096.db2.gz AJBNRKNQGHSFGE-UHFFFAOYSA-N 0 3 390.484 0.992 20 0 GCADHN O=C(C(=O)N1CC[C@@H](CN2CCCC2=O)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000658540130 1187332699 /nfs/dbraw/zinc/33/26/99/1187332699.db2.gz MQPMPTHRKBBESI-DLBZAZTESA-N 0 3 376.501 0.544 20 0 GCADHN O=C(C(=O)N1CC[C@H](N2CCCCC2)C1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000658540134 1187332718 /nfs/dbraw/zinc/33/27/18/1187332718.db2.gz MQPMPTHRKBBESI-IRXDYDNUSA-N 0 3 376.501 0.544 20 0 GCADHN C[C@H]1C[C@H](CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H](C)C1 ZINC000658534884 1187336889 /nfs/dbraw/zinc/33/68/89/1187336889.db2.gz FDLAQOSSPBXGBG-PIIMJCKOSA-N 0 3 392.544 0.942 20 0 GCADHN CN(C)CCn1c2cc(C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)ccc2[nH]c1=O ZINC000635802629 1187347221 /nfs/dbraw/zinc/34/72/21/1187347221.db2.gz UMYQCGHRYGUIGZ-CQSZACIVSA-N 0 3 394.497 0.953 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000612179072 1187361599 /nfs/dbraw/zinc/36/15/99/1187361599.db2.gz JTSUYDIZSXYKID-ZBFHGGJFSA-N 0 3 388.468 0.517 20 0 GCADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCc1nc(C(N)=O)cs1 ZINC000658606214 1187378776 /nfs/dbraw/zinc/37/87/76/1187378776.db2.gz NPPALPDORQMPSR-UHFFFAOYSA-N 0 3 395.510 0.510 20 0 GCADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CCCN1c1ncccn1 ZINC000647414233 1187398064 /nfs/dbraw/zinc/39/80/64/1187398064.db2.gz ZKQYMRFYDHWNOH-MOPGFXCFSA-N 0 3 381.480 0.981 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)Cc3cn(C)nn3)c2)CC1 ZINC000658676441 1187408323 /nfs/dbraw/zinc/40/83/23/1187408323.db2.gz GLUVCEUHNIGXIC-UHFFFAOYSA-N 0 3 385.472 0.554 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C3CCC3)C2)CC1 ZINC000658676739 1187408599 /nfs/dbraw/zinc/40/85/99/1187408599.db2.gz JRWQPFCEJFNVJA-ZWKOTPCHSA-N 0 3 390.528 0.790 20 0 GCADHN C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000612221630 1187410966 /nfs/dbraw/zinc/41/09/66/1187410966.db2.gz VHJYRFBOSJGMDZ-VQIMIIECSA-N 0 3 388.512 0.887 20 0 GCADHN CCN1CCN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1=O ZINC000612222254 1187411291 /nfs/dbraw/zinc/41/12/91/1187411291.db2.gz AJQQAWUSJDEVAN-UHFFFAOYSA-N 0 3 387.484 0.101 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)cc1 ZINC000658706938 1187418931 /nfs/dbraw/zinc/41/89/31/1187418931.db2.gz MHUDHWKQPPDWNJ-AWEZNQCLSA-N 0 3 396.513 0.770 20 0 GCADHN CO[C@@H]1[C@H]2C[C@H]3CN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H]1[C@H]3C2 ZINC000375804406 1187426610 /nfs/dbraw/zinc/42/66/10/1187426610.db2.gz IAKKQAWMEBXLDQ-FTAMUGHTSA-N 0 3 387.546 0.518 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(OCCN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000375810668 1187430559 /nfs/dbraw/zinc/43/05/59/1187430559.db2.gz GYHVFMPSZLNLHZ-MOPGFXCFSA-N 0 3 397.541 0.847 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000588981673 1187445252 /nfs/dbraw/zinc/44/52/52/1187445252.db2.gz NSQJPKVNBZJIAV-UHFFFAOYSA-N 0 3 392.500 0.806 20 0 GCADHN CC(=O)N[C@](C)(C(=O)N(C)CCN1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000431644267 1187454862 /nfs/dbraw/zinc/45/48/62/1187454862.db2.gz IBNZVZURWZLPAV-IBGZPJMESA-N 0 3 395.525 0.996 20 0 GCADHN Cc1ccc2oc(CNC(=O)C(=O)N3CCN(CCN(C)C)C(=O)C3)cc2c1 ZINC000658776122 1187456839 /nfs/dbraw/zinc/45/68/39/1187456839.db2.gz RZWKWPLHTIGYEA-UHFFFAOYSA-N 0 3 386.452 0.590 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)C1 ZINC000658778032 1187458311 /nfs/dbraw/zinc/45/83/11/1187458311.db2.gz GQDNAUYIXRMBKB-HNNXBMFYSA-N 0 3 376.457 0.741 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC000658780267 1187459068 /nfs/dbraw/zinc/45/90/68/1187459068.db2.gz VWCYRNQAIRLACP-OAHLLOKOSA-N 0 3 387.440 0.277 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)C1 ZINC000658778708 1187459292 /nfs/dbraw/zinc/45/92/92/1187459292.db2.gz OXJQVXOFQBSGTK-AWEZNQCLSA-N 0 3 382.486 0.906 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)C1 ZINC000658780371 1187459332 /nfs/dbraw/zinc/45/93/32/1187459332.db2.gz XCDBXUKKVMHEEA-CQSZACIVSA-N 0 3 385.461 0.909 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)C1 ZINC000658780612 1187461288 /nfs/dbraw/zinc/46/12/88/1187461288.db2.gz ZPAMZKJHFGYFSL-CQSZACIVSA-N 0 3 382.486 0.435 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000658780821 1187461435 /nfs/dbraw/zinc/46/14/35/1187461435.db2.gz 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COC1CCN(CCNC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CC(C)C)CC1 ZINC000685776404 1187499993 /nfs/dbraw/zinc/49/99/93/1187499993.db2.gz GOXSPAFLNPFTJH-QGZVFWFLSA-N 0 3 379.505 0.710 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000612481887 1187502956 /nfs/dbraw/zinc/50/29/56/1187502956.db2.gz GMUDIBNJYNOMMN-IRXDYDNUSA-N 0 3 382.549 0.527 20 0 GCADHN COCC(COC)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000612480351 1187503512 /nfs/dbraw/zinc/50/35/12/1187503512.db2.gz IXLLNOBXUQVVDS-QGZVFWFLSA-N 0 3 398.548 0.029 20 0 GCADHN COCCOCCN1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000612481324 1187504092 /nfs/dbraw/zinc/50/40/92/1187504092.db2.gz UFHPAGLOEVRPIO-SFHVURJKSA-N 0 3 398.548 0.030 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000612482104 1187504260 /nfs/dbraw/zinc/50/42/60/1187504260.db2.gz KGWVOAGWHBYNCN-GOEBONIOSA-N 0 3 379.505 0.286 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000612482020 1187504899 /nfs/dbraw/zinc/50/48/99/1187504899.db2.gz IQLXNZLWXGALNR-OKZBNKHCSA-N 0 3 399.532 0.095 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000612488339 1187506972 /nfs/dbraw/zinc/50/69/72/1187506972.db2.gz ZKKQNFRKTHVICC-MSOLQXFVSA-N 0 3 380.533 0.546 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 ZINC000612522052 1187513572 /nfs/dbraw/zinc/51/35/72/1187513572.db2.gz FUZMKIZMFJRPPQ-YLFCFFPRSA-N 0 3 376.501 0.446 20 0 GCADHN Cn1cc(-c2ncccc2C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000612522940 1187513967 /nfs/dbraw/zinc/51/39/67/1187513967.db2.gz LMPIKQQGOJHCCS-QGZVFWFLSA-N 0 3 382.468 0.861 20 0 GCADHN O=C(Nc1cccc2c1OCCO2)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000658800817 1187514858 /nfs/dbraw/zinc/51/48/58/1187514858.db2.gz ARCBEVAWRUGBFS-AWEZNQCLSA-N 0 3 375.425 0.766 20 0 GCADHN O=C(CCNS(=O)(=O)c1ccccc1F)N[C@@H](CO)CN1CCCCC1 ZINC000413802154 1187517407 /nfs/dbraw/zinc/51/74/07/1187517407.db2.gz GRECOZILQLLTBE-CQSZACIVSA-N 0 3 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1187533190 /nfs/dbraw/zinc/53/31/90/1187533190.db2.gz NEKXLOYIYZHUIQ-OALUTQOASA-N 0 3 392.544 0.787 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCN(c2cccs2)CC1 ZINC000612594869 1187535448 /nfs/dbraw/zinc/53/54/48/1187535448.db2.gz CMWHJESPCIBWPP-INIZCTEOSA-N 0 3 392.525 0.766 20 0 GCADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)NC1CCN([C@@H]3CCOC3)CC1)C[C@@H](C)O2 ZINC000612595310 1187535544 /nfs/dbraw/zinc/53/55/44/1187535544.db2.gz VGJGAZHDOMGPJK-YVTWGWGSSA-N 0 3 395.500 0.151 20 0 GCADHN CC(C)CN(Cc1cnn(C)c1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612595040 1187535629 /nfs/dbraw/zinc/53/56/29/1187535629.db2.gz IGIHMKWSMPCALX-SFHVURJKSA-N 0 3 391.516 0.774 20 0 GCADHN Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612596401 1187536705 /nfs/dbraw/zinc/53/67/05/1187536705.db2.gz ORNPESBOHXLETO-SJLPKXTDSA-N 0 3 389.500 0.762 20 0 GCADHN Cc1ccc([C@H]2COCCN2C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)o1 ZINC000612598306 1187537776 /nfs/dbraw/zinc/53/77/76/1187537776.db2.gz BQXOTPZGIDPQPQ-IAGOWNOFSA-N 0 3 391.468 0.857 20 0 GCADHN C[C@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000612598848 1187539561 /nfs/dbraw/zinc/53/95/61/1187539561.db2.gz KEYFNZNTLPIYOO-YQQAZPJKSA-N 0 3 394.516 0.262 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000612603985 1187540072 /nfs/dbraw/zinc/54/00/72/1187540072.db2.gz OETGVGLGVQWENA-AWEZNQCLSA-N 0 3 392.422 0.062 20 0 GCADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1=O ZINC000612613660 1187541419 /nfs/dbraw/zinc/54/14/19/1187541419.db2.gz TXAPDVFXIXEXNL-HOTGVXAUSA-N 0 3 378.517 0.836 20 0 GCADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)CNS(=O)(=O)c1cccnc1 ZINC000612624599 1187543740 /nfs/dbraw/zinc/54/37/40/1187543740.db2.gz VYVWUUAANLCXBW-UHFFFAOYSA-N 0 3 392.481 0.656 20 0 GCADHN CCOC(=O)c1sc(CNC(=O)C(=O)NC[C@H]2CCCN2CC)nc1C ZINC000588995372 1187545484 /nfs/dbraw/zinc/54/54/84/1187545484.db2.gz FKSWHWKFRHKFLR-GFCCVEGCSA-N 0 3 382.486 0.845 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000448274710 1187545657 /nfs/dbraw/zinc/54/56/57/1187545657.db2.gz CJSSTGAOIJJBSN-UHFFFAOYSA-N 0 3 387.484 0.458 20 0 GCADHN Cc1cc(NC(=O)CSCC(=O)N=c2ccn(C3CCN(C)CC3)[nH]2)no1 ZINC000376030591 1187552815 /nfs/dbraw/zinc/55/28/15/1187552815.db2.gz DWJYJEVYBCEJKF-UHFFFAOYSA-N 0 3 392.485 0.600 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CCN(CC)C2)CCN1CCOC ZINC000658821217 1187553484 /nfs/dbraw/zinc/55/34/84/1187553484.db2.gz KDECBVSFKPRFIS-ZWKOTPCHSA-N 0 3 382.549 0.888 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCNC(=O)C[C@@H]3C)cc2)CC1 ZINC000782636524 1187567377 /nfs/dbraw/zinc/56/73/77/1187567377.db2.gz VTHHUVMQISKRMX-HNNXBMFYSA-N 0 3 387.484 0.504 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000376053035 1187569484 /nfs/dbraw/zinc/56/94/84/1187569484.db2.gz CVCYWRWMZJDIKU-INIZCTEOSA-N 0 3 382.486 0.482 20 0 GCADHN Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)cn1 ZINC000584497853 1187570886 /nfs/dbraw/zinc/57/08/86/1187570886.db2.gz MPEBNNQEKMPQMM-INIZCTEOSA-N 0 3 376.505 0.305 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](OC(C)(C)C)C2)CC1 ZINC000612738556 1187572710 /nfs/dbraw/zinc/57/27/10/1187572710.db2.gz XAQNNMFYUBGWRQ-WKILWMFISA-N 0 3 396.532 0.461 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000376102861 1187604575 /nfs/dbraw/zinc/60/45/75/1187604575.db2.gz KMYHWRPTIRDIFZ-QGZVFWFLSA-N 0 3 379.468 0.958 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cn1 ZINC000413945462 1187606121 /nfs/dbraw/zinc/60/61/21/1187606121.db2.gz MQTVUTNHIMCQJS-RLFYNMQTSA-N 0 3 377.489 0.507 20 0 GCADHN CCN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCN(CC)[C@@H](C)C3)O2)C[C@H]1C ZINC000612951513 1187625242 /nfs/dbraw/zinc/62/52/42/1187625242.db2.gz FXYNCBZQSKRLOZ-FZDBZEDMSA-N 0 3 380.533 0.639 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000685830488 1187637226 /nfs/dbraw/zinc/63/72/26/1187637226.db2.gz KVCPCUVOTWLUTH-DOTOQJQBSA-N 0 3 393.532 0.787 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCNCC2(C)C)cc1 ZINC000644074031 1187638287 /nfs/dbraw/zinc/63/82/87/1187638287.db2.gz XKHKVCPTRIKNES-UHFFFAOYSA-N 0 3 382.486 0.476 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CCO)CC1 ZINC000658845810 1187640749 /nfs/dbraw/zinc/64/07/49/1187640749.db2.gz VBDNGKSOLWXVNP-IRXDYDNUSA-N 0 3 396.532 0.009 20 0 GCADHN CN(CCCN(C)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1)Cc1ccco1 ZINC000658848732 1187645261 /nfs/dbraw/zinc/64/52/61/1187645261.db2.gz GSPYVIKOHHZNML-KRWDZBQOSA-N 0 3 392.500 0.493 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC(=O)N1CCCC1 ZINC000658849459 1187646538 /nfs/dbraw/zinc/64/65/38/1187646538.db2.gz NVLQMKAIOZULFB-UHFFFAOYSA-N 0 3 376.457 0.776 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000658865689 1187666000 /nfs/dbraw/zinc/66/60/00/1187666000.db2.gz NZJDYMUBFUETHJ-GOSISDBHSA-N 0 3 390.528 0.934 20 0 GCADHN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644914422 1187666720 /nfs/dbraw/zinc/66/67/20/1187666720.db2.gz WYJUWBYWHDYKAK-BPQIPLTHSA-N 0 3 384.480 0.456 20 0 GCADHN NS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000613117662 1187668353 /nfs/dbraw/zinc/66/83/53/1187668353.db2.gz PSTXPQFRUTVSGW-OAHLLOKOSA-N 0 3 396.513 0.497 20 0 GCADHN O=C(Cc1cccc(F)c1)NCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892534914 1187710819 /nfs/dbraw/zinc/71/08/19/1187710819.db2.gz ANUOPIXSFFIBJH-ROUUACIJSA-N 0 3 392.475 0.725 20 0 GCADHN CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000644137751 1187711323 /nfs/dbraw/zinc/71/13/23/1187711323.db2.gz DKWDFJUCOKTWBU-CVEARBPZSA-N 0 3 380.464 0.951 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000376251916 1187722879 /nfs/dbraw/zinc/72/28/79/1187722879.db2.gz DFKBKMYRALEGDO-ROUUACIJSA-N 0 3 379.549 0.914 20 0 GCADHN CC(C)(CO)N1CCN(c2ccnc(N3CCN(C(C)(C)CO)CC3)n2)CC1 ZINC000892541690 1187739542 /nfs/dbraw/zinc/73/95/42/1187739542.db2.gz FGQWIAAISHVJJD-UHFFFAOYSA-N 0 3 392.548 0.262 20 0 GCADHN CCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000376296901 1187752709 /nfs/dbraw/zinc/75/27/09/1187752709.db2.gz UQPKUESSBLSPTJ-INIZCTEOSA-N 0 3 391.497 0.654 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCn3cccn3)cc2)CC1 ZINC000174772739 1187763372 /nfs/dbraw/zinc/76/33/72/1187763372.db2.gz YKBAVCMNZOWCKO-UHFFFAOYSA-N 0 3 384.484 0.776 20 0 GCADHN CO[C@@]1(C)C[C@H]1NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000658910570 1187778005 /nfs/dbraw/zinc/77/80/05/1187778005.db2.gz ZWLRWLFNDSCMTE-UZLBHIALSA-N 0 3 388.468 0.616 20 0 GCADHN C[C@@H](NC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C1=CCN(C)CC1 ZINC000332832096 1187788297 /nfs/dbraw/zinc/78/82/97/1187788297.db2.gz FZJONTKPZVISEU-IAGOWNOFSA-N 0 3 377.533 0.975 20 0 GCADHN CN1C(=O)N[C@]2(CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1=O ZINC000332841191 1187790680 /nfs/dbraw/zinc/79/06/80/1187790680.db2.gz KFUHKCBPCZQDOK-UZLBHIALSA-N 0 3 385.468 0.987 20 0 GCADHN C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)CN1CCOCC1 ZINC000376362971 1187792267 /nfs/dbraw/zinc/79/22/67/1187792267.db2.gz FTAYOLXITRGMSF-OOKSDGMUSA-N 0 3 395.548 0.338 20 0 GCADHN CCNC(=O)CN1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000332864372 1187796853 /nfs/dbraw/zinc/79/68/53/1187796853.db2.gz HEASDINCMYPZSH-IEBWSBKVSA-N 0 3 387.528 0.970 20 0 GCADHN CCO[C@@H]1C[C@H](NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@H]1OC ZINC000892595581 1187804177 /nfs/dbraw/zinc/80/41/77/1187804177.db2.gz VXTWZIQSMAXHNY-LZLYRXPVSA-N 0 3 398.529 0.315 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000376397715 1187812673 /nfs/dbraw/zinc/81/26/73/1187812673.db2.gz FBXATMBPIHBVSU-JKSUJKDBSA-N 0 3 384.521 0.765 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000658975798 1187827477 /nfs/dbraw/zinc/82/74/77/1187827477.db2.gz KRZDKCQGJKQDGG-UHFFFAOYSA-N 0 3 380.430 0.213 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)n1 ZINC000658997268 1187836603 /nfs/dbraw/zinc/83/66/03/1187836603.db2.gz YEVXPPVTEMHDKI-UHFFFAOYSA-N 0 3 399.390 0.955 20 0 GCADHN CN(CCN1CCCS1(=O)=O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001267585670 1187839642 /nfs/dbraw/zinc/83/96/42/1187839642.db2.gz BAXKTSGRXFYQBV-RFSXOUPVSA-N 0 3 397.541 0.226 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000103122878 1187844378 /nfs/dbraw/zinc/84/43/78/1187844378.db2.gz PABINVQNXMZQBF-MRXNPFEDSA-N 0 3 376.501 0.544 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)CC1 ZINC000659023978 1187845229 /nfs/dbraw/zinc/84/52/29/1187845229.db2.gz PPNVHHNKZZQTEZ-LJQANCHMSA-N 0 3 377.489 0.437 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cn1 ZINC000414370334 1187859062 /nfs/dbraw/zinc/85/90/62/1187859062.db2.gz GWQGFTACQUXSAE-DLBZAZTESA-N 0 3 391.497 0.859 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[C@](O)(C2CC2)C1 ZINC000376468457 1187862650 /nfs/dbraw/zinc/86/26/50/1187862650.db2.gz KLJHBARWQAPOSH-VEVIJQCQSA-N 0 3 381.498 0.747 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000659073653 1187863993 /nfs/dbraw/zinc/86/39/93/1187863993.db2.gz DEUGCRRXTRZSJK-CVEARBPZSA-N 0 3 377.489 0.685 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001267591350 1187874174 /nfs/dbraw/zinc/87/41/74/1187874174.db2.gz NOTUPZAOGFWKKU-KBMXLJTQSA-N 0 3 384.440 0.637 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1ccc(CCO)cc1 ZINC000892649059 1187878351 /nfs/dbraw/zinc/87/83/51/1187878351.db2.gz NXNDIAJXDOBRDA-SFHVURJKSA-N 0 3 376.501 0.963 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCOC12CCOCC2 ZINC000892649422 1187879002 /nfs/dbraw/zinc/87/90/02/1187879002.db2.gz PAASMTXRYXALFT-HZPDHXFCSA-N 0 3 382.505 0.566 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCc2c(=O)[nH]n(C)c2C1 ZINC000892650689 1187880583 /nfs/dbraw/zinc/88/05/83/1187880583.db2.gz PKSPFQOTVJHEEQ-CQSZACIVSA-N 0 3 378.477 0.136 20 0 GCADHN CC(C)(C)N1C[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CC1=O ZINC000659104863 1187882041 /nfs/dbraw/zinc/88/20/41/1187882041.db2.gz RQVSDCQWLXZFTC-CYBMUJFWSA-N 0 3 388.468 0.870 20 0 GCADHN CC(C)Cn1ncc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1C(C)C ZINC000659111014 1187885302 /nfs/dbraw/zinc/88/53/02/1187885302.db2.gz WSYRGMUTCNVUBM-UHFFFAOYSA-N 0 3 389.460 0.872 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)n1 ZINC000659110841 1187886684 /nfs/dbraw/zinc/88/66/84/1187886684.db2.gz AGAUBDJUACUQMM-UHFFFAOYSA-N 0 3 398.423 0.413 20 0 GCADHN CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)cc2O1 ZINC000659110375 1187887215 /nfs/dbraw/zinc/88/72/15/1187887215.db2.gz DPWFHAWWSHCXAC-SFHVURJKSA-N 0 3 387.396 0.793 20 0 GCADHN COc1cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc(OC)c1Cl ZINC000659110393 1187887908 /nfs/dbraw/zinc/88/79/08/1187887908.db2.gz FYFWIEALSJADRQ-UHFFFAOYSA-N 0 3 395.803 0.566 20 0 GCADHN Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659111758 1187888495 /nfs/dbraw/zinc/88/84/95/1187888495.db2.gz JAEMOSSKJLLOLI-UHFFFAOYSA-N 0 3 384.440 0.804 20 0 GCADHN O=C(CCN1CCN([C@@H]2CCC[C@@H]2O)CC1)N1CCN(c2ccccn2)CC1 ZINC000376495581 1187889870 /nfs/dbraw/zinc/88/98/70/1187889870.db2.gz PGGDDOVHOPGODV-MOPGFXCFSA-N 0 3 387.528 0.651 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)Nc2cc3c(cc2Cl)OCCO3)n1 ZINC000659113541 1187890292 /nfs/dbraw/zinc/89/02/92/1187890292.db2.gz XIJFLILIQVHOJU-UHFFFAOYSA-N 0 3 393.787 0.320 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H]2C2CCC2)CC1 ZINC000659171950 1187906722 /nfs/dbraw/zinc/90/67/22/1187906722.db2.gz LVTWMKOLORWXHD-KRWDZBQOSA-N 0 3 376.501 0.544 20 0 GCADHN CCN(Cc1ccoc1)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000659236388 1187919129 /nfs/dbraw/zinc/91/91/29/1187919129.db2.gz YLOIGOFIQQSZQD-INIZCTEOSA-N 0 3 376.457 0.393 20 0 GCADHN O=C(CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)N1CCc2ccccc2C1 ZINC000892674782 1187923978 /nfs/dbraw/zinc/92/39/78/1187923978.db2.gz YIFSHSCOHCYEHM-MOPGFXCFSA-N 0 3 386.496 0.812 20 0 GCADHN CC(=O)N(CCc1ccccc1)CC(=O)NCC(=O)NCCN1CCCCC1 ZINC000909321868 1187927875 /nfs/dbraw/zinc/92/78/75/1187927875.db2.gz VSAOOVZVKBNNBS-UHFFFAOYSA-N 0 3 388.512 0.796 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](c3ccco3)C2)CC1 ZINC000659325009 1187944029 /nfs/dbraw/zinc/94/40/29/1187944029.db2.gz VXDYOWWGMCWQDM-INIZCTEOSA-N 0 3 390.484 0.608 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1=O ZINC000178208191 1187944187 /nfs/dbraw/zinc/94/41/87/1187944187.db2.gz MRGOLGLPGWHVDG-CZUORRHYSA-N 0 3 392.887 0.972 20 0 GCADHN CN(C)C(=O)COc1ccccc1CN1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000628425804 1187947476 /nfs/dbraw/zinc/94/74/76/1187947476.db2.gz VWRWMYKRRSTIKJ-UHFFFAOYSA-N 0 3 386.456 0.681 20 0 GCADHN COC(=O)CCCOc1ccc(CNC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000460258593 1187947966 /nfs/dbraw/zinc/94/79/66/1187947966.db2.gz FQLRBMDRYMJTIM-IBGZPJMESA-N 0 3 379.457 0.884 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000659376384 1187950928 /nfs/dbraw/zinc/95/09/28/1187950928.db2.gz LSGNHEWUPOXYNN-QGZVFWFLSA-N 0 3 381.448 0.842 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)n1 ZINC000659435615 1187957744 /nfs/dbraw/zinc/95/77/44/1187957744.db2.gz ZCYNMIMZCQHWKS-HNNXBMFYSA-N 0 3 384.440 0.804 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n1 ZINC000659435617 1187957810 /nfs/dbraw/zinc/95/78/10/1187957810.db2.gz ZCYNMIMZCQHWKS-OAHLLOKOSA-N 0 3 384.440 0.804 20 0 GCADHN CN(C)C(=O)COc1cccc(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659440635 1187959115 /nfs/dbraw/zinc/95/91/15/1187959115.db2.gz WGBAKQSYAPDXFJ-UHFFFAOYSA-N 0 3 388.428 0.107 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)NC[C@@H]3CNCCO3)CC2)c(OC)c1 ZINC000584519748 1187960073 /nfs/dbraw/zinc/96/00/73/1187960073.db2.gz VEVBQQYXCOQKGZ-HNNXBMFYSA-N 0 3 392.456 0.160 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 ZINC000659477628 1187963121 /nfs/dbraw/zinc/96/31/21/1187963121.db2.gz RLBUMRJGLKEJSL-JTQLQIEISA-N 0 3 392.366 0.524 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCOc2ncccc2C(F)(F)F)n1 ZINC000659473478 1187963811 /nfs/dbraw/zinc/96/38/11/1187963811.db2.gz YKKYMQBLNZMWKS-UHFFFAOYSA-N 0 3 386.334 0.933 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)C(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)CCO1 ZINC000659513334 1187967289 /nfs/dbraw/zinc/96/72/89/1187967289.db2.gz RNIHKNFYRHYWAT-WOYCLPQFSA-N 0 3 393.528 0.972 20 0 GCADHN CN(C(=O)[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1)c1ccccc1 ZINC000659628975 1187978055 /nfs/dbraw/zinc/97/80/55/1187978055.db2.gz BEWCRDMTOXFLRF-ZDUSSCGKSA-N 0 3 384.440 0.835 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)c(C)o1 ZINC000659632569 1187978688 /nfs/dbraw/zinc/97/86/88/1187978688.db2.gz BIQIOAZIEXHDOV-UHFFFAOYSA-N 0 3 388.428 0.518 20 0 GCADHN CCOC(=O)CC1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000570945856 1187979259 /nfs/dbraw/zinc/97/92/59/1187979259.db2.gz IZDIEACPRKZQQF-SFHVURJKSA-N 0 3 385.530 0.732 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccc(OC(F)F)cc2)n1 ZINC000659678439 1187991948 /nfs/dbraw/zinc/99/19/48/1187991948.db2.gz YMUOPIPIRKFSQY-UHFFFAOYSA-N 0 3 381.339 0.175 20 0 GCADHN Cc1nc2ccccc2n1CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659677471 1187995048 /nfs/dbraw/zinc/99/50/48/1187995048.db2.gz OQTNPUMWGUQDBG-UHFFFAOYSA-N 0 3 397.439 0.122 20 0 GCADHN COc1ccc(C2(CNC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CCC2)cc1 ZINC000659685460 1187996429 /nfs/dbraw/zinc/99/64/29/1187996429.db2.gz NLUQTZISELUPOZ-UHFFFAOYSA-N 0 3 399.451 0.504 20 0 GCADHN Cc1[nH]c2c(cc(C)cc2CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1C ZINC000659687660 1187997720 /nfs/dbraw/zinc/99/77/20/1187997720.db2.gz WVOOIACDXXYIEF-UHFFFAOYSA-N 0 3 396.451 0.980 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCOc2ccccc2Cl)n1 ZINC000659688110 1187998066 /nfs/dbraw/zinc/99/80/66/1187998066.db2.gz PLYYAOXTQGXDTC-UHFFFAOYSA-N 0 3 379.804 0.106 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2ccccc2OC2CCCC2)n1 ZINC000659690858 1188000315 /nfs/dbraw/zinc/00/03/15/1188000315.db2.gz DDRFMGVONVALLM-UHFFFAOYSA-N 0 3 399.451 0.895 20 0 GCADHN C[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(OC(F)F)cc1 ZINC000659697845 1188000411 /nfs/dbraw/zinc/00/04/11/1188000411.db2.gz JCRSDBAKYGFWIJ-VIFPVBQESA-N 0 3 395.366 0.736 20 0 GCADHN COc1ccc(CC[C@@H](C)NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000659697877 1188000429 /nfs/dbraw/zinc/00/04/29/1188000429.db2.gz KOSUTHNGXJNKBM-GFCCVEGCSA-N 0 3 387.440 0.403 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000659693208 1188001031 /nfs/dbraw/zinc/00/10/31/1188001031.db2.gz DAVKTDSWZQLRHC-LSDHHAIUSA-N 0 3 383.452 0.785 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1ccc(Cl)cc1 ZINC000659702852 1188005889 /nfs/dbraw/zinc/00/58/89/1188005889.db2.gz RXZDJTVLHINTEF-JTQLQIEISA-N 0 3 393.831 0.494 20 0 GCADHN C[C@H](CNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)CN1CCN(C)CC1 ZINC000135242835 1188006769 /nfs/dbraw/zinc/00/67/69/1188006769.db2.gz DDRWOJWHKCSEFB-AEFFLSMTSA-N 0 3 379.549 0.960 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc2c1OC(F)(F)O2 ZINC000659717874 1188007328 /nfs/dbraw/zinc/00/73/28/1188007328.db2.gz KUHYMAWFZSVINJ-MWLCHTKSSA-N 0 3 385.367 0.854 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCc2cccc(C(F)(F)F)c2)n1 ZINC000659709181 1188007430 /nfs/dbraw/zinc/00/74/30/1188007430.db2.gz GKELAYTYQNLCPM-UHFFFAOYSA-N 0 3 383.330 0.592 20 0 GCADHN O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000659728398 1188011596 /nfs/dbraw/zinc/01/15/96/1188011596.db2.gz NQGYVVWAQMSABE-KGLIPLIRSA-N 0 3 380.876 0.387 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)ccc1F ZINC000376690340 1188013772 /nfs/dbraw/zinc/01/37/72/1188013772.db2.gz VWHPXMYNJOUSRX-ZDUSSCGKSA-N 0 3 398.460 0.369 20 0 GCADHN Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000376660735 1188015305 /nfs/dbraw/zinc/01/53/05/1188015305.db2.gz SVWFQQZHICXAGR-WDEREUQCSA-N 0 3 389.378 0.665 20 0 GCADHN COC(=O)COCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000376675697 1188016602 /nfs/dbraw/zinc/01/66/02/1188016602.db2.gz XRDAHYSAUBYZKJ-MRXNPFEDSA-N 0 3 377.441 0.981 20 0 GCADHN COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc(S(C)(=O)=O)c1 ZINC000376684781 1188017365 /nfs/dbraw/zinc/01/73/65/1188017365.db2.gz BOSIYFMALAERRU-KGLIPLIRSA-N 0 3 395.481 0.732 20 0 GCADHN COc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc(S(C)(=O)=O)c1 ZINC000376688181 1188017401 /nfs/dbraw/zinc/01/74/01/1188017401.db2.gz OAGJXJJUGSGIIF-AWEZNQCLSA-N 0 3 395.481 0.734 20 0 GCADHN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCCNCC1 ZINC000415310864 1188028362 /nfs/dbraw/zinc/02/83/62/1188028362.db2.gz QEBNEFOKMJFTOB-UHFFFAOYSA-N 0 3 394.497 0.622 20 0 GCADHN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415315438 1188028748 /nfs/dbraw/zinc/02/87/48/1188028748.db2.gz ZSXZKDCFFHCRDT-AWEZNQCLSA-N 0 3 396.513 0.665 20 0 GCADHN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)N1CCCNCC1 ZINC000415312569 1188028971 /nfs/dbraw/zinc/02/89/71/1188028971.db2.gz CTCFUYSUJFJGQV-UHFFFAOYSA-N 0 3 382.346 1.047 20 0 GCADHN CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415320526 1188030490 /nfs/dbraw/zinc/03/04/90/1188030490.db2.gz QJRXWVTVUUCSIU-UHFFFAOYSA-N 0 3 376.457 0.694 20 0 GCADHN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCCNCC1 ZINC000415311646 1188030602 /nfs/dbraw/zinc/03/06/02/1188030602.db2.gz BISQDLVLONDPKQ-UHFFFAOYSA-N 0 3 390.440 0.070 20 0 GCADHN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415321757 1188030869 /nfs/dbraw/zinc/03/08/69/1188030869.db2.gz RILFGQUTXYZCED-UHFFFAOYSA-N 0 3 396.513 0.834 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)C2=O ZINC000377473530 1188031642 /nfs/dbraw/zinc/03/16/42/1188031642.db2.gz RJQPLHNFXGCDOH-KMFGOTIKSA-N 0 3 392.500 0.857 20 0 GCADHN O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)C(=O)N1CCCNCC1 ZINC000415326746 1188034890 /nfs/dbraw/zinc/03/48/90/1188034890.db2.gz WSQBVGPTHRLPOD-UHFFFAOYSA-N 0 3 394.497 0.622 20 0 GCADHN Cc1oc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1S(=O)(=O)N1CCCC1 ZINC000377482314 1188037771 /nfs/dbraw/zinc/03/77/71/1188037771.db2.gz VBRMERLAIKFTFG-HUUCEWRRSA-N 0 3 397.497 0.966 20 0 GCADHN CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N2CCCNCC2)c1C ZINC000415322976 1188037877 /nfs/dbraw/zinc/03/78/77/1188037877.db2.gz SHCYFGZXRAXBFX-UHFFFAOYSA-N 0 3 382.486 0.907 20 0 GCADHN CCOC(=O)c1c(NC(=O)C(=O)N2CCCNCC2)cc(OC)cc1OC ZINC000415322971 1188037990 /nfs/dbraw/zinc/03/79/90/1188037990.db2.gz SHCQFTBIGWZUNF-UHFFFAOYSA-N 0 3 379.413 0.641 20 0 GCADHN COc1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc(Cl)c1OCC(N)=O ZINC000377481330 1188038293 /nfs/dbraw/zinc/03/82/93/1188038293.db2.gz IXENOFHDFLDLHZ-STQMWFEESA-N 0 3 397.859 0.806 20 0 GCADHN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2O)O1 ZINC001025760199 1188042708 /nfs/dbraw/zinc/04/27/08/1188042708.db2.gz LJRQLNAKIGVTDG-BNEJOLLZSA-N 0 3 375.469 0.617 20 0 GCADHN COc1ccc(C=O)c(OCC(=O)NCC(=O)NCCN2CCCCC2)c1 ZINC000909322921 1188051644 /nfs/dbraw/zinc/05/16/44/1188051644.db2.gz NCKNJCAZJMKOEA-UHFFFAOYSA-N 0 3 377.441 0.605 20 0 GCADHN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)C1 ZINC000909322923 1188052057 /nfs/dbraw/zinc/05/20/57/1188052057.db2.gz FVOGBPPUSZJQNH-DLBZAZTESA-N 0 3 380.533 0.989 20 0 GCADHN O=C(CNC(=O)c1ccccc1OC(F)F)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377513721 1188060199 /nfs/dbraw/zinc/06/01/99/1188060199.db2.gz VUBOPCKYLHJENM-STQMWFEESA-N 0 3 383.395 0.997 20 0 GCADHN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377513573 1188060285 /nfs/dbraw/zinc/06/02/85/1188060285.db2.gz UPOBXQGTTFKEFH-LSDHHAIUSA-N 0 3 386.452 0.731 20 0 GCADHN O=C(NC[C@H]1CNCCO1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000415390098 1188069366 /nfs/dbraw/zinc/06/93/66/1188069366.db2.gz GPBMBZZMUVLPTI-OAHLLOKOSA-N 0 3 394.453 0.868 20 0 GCADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)c2ccccc2O1 ZINC000415386268 1188070280 /nfs/dbraw/zinc/07/02/80/1188070280.db2.gz GCFPUXANWBIEIS-PBHICJAKSA-N 0 3 382.420 0.343 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000415399535 1188071458 /nfs/dbraw/zinc/07/14/58/1188071458.db2.gz YLUDRKUUINKVRT-ZLKJLUDKSA-N 0 3 375.429 0.672 20 0 GCADHN CCN1CCN(c2cc(C(N)=O)nc(N3CCN(CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000892971332 1188080249 /nfs/dbraw/zinc/08/02/49/1188080249.db2.gz QJKMSIKBOBRXMV-CABCVRRESA-N 0 3 375.521 0.636 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000377582591 1188081490 /nfs/dbraw/zinc/08/14/90/1188081490.db2.gz OAOIQJJSLNZZOW-HZPDHXFCSA-N 0 3 390.440 0.574 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)NCCCN3C(=O)CNC3=O)CC2)C[C@H](C)O1 ZINC000377591070 1188084434 /nfs/dbraw/zinc/08/44/34/1188084434.db2.gz OHTNGAFQURCAGB-GJZGRUSLSA-N 0 3 395.504 0.459 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N1CC[C@H](CC(N)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000377598947 1188085283 /nfs/dbraw/zinc/08/52/83/1188085283.db2.gz CKFFHRGIUOCLAL-RWMBFGLXSA-N 0 3 382.486 0.097 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(c3ccccc3F)CC1)C2=O ZINC000020630566 1188105823 /nfs/dbraw/zinc/10/58/23/1188105823.db2.gz HVGQJRRXQIHGEH-UHFFFAOYSA-N 0 3 375.448 0.921 20 0 GCADHN CCN(CC)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cn1 ZINC000377721009 1188114567 /nfs/dbraw/zinc/11/45/67/1188114567.db2.gz DOPGXOICCSAFSN-HOTGVXAUSA-N 0 3 375.473 0.846 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC(F)(F)CN)cc2)CC1 ZINC000415593243 1188115293 /nfs/dbraw/zinc/11/52/93/1188115293.db2.gz GKCIQGOVBNPHFI-UHFFFAOYSA-N 0 3 383.443 0.473 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000377730091 1188119930 /nfs/dbraw/zinc/11/99/30/1188119930.db2.gz QQRSLQYGHMUJTO-CVEARBPZSA-N 0 3 388.424 0.561 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000377730093 1188120419 /nfs/dbraw/zinc/12/04/19/1188120419.db2.gz QQRSLQYGHMUJTO-HZPDHXFCSA-N 0 3 388.424 0.561 20 0 GCADHN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000415611874 1188124765 /nfs/dbraw/zinc/12/47/65/1188124765.db2.gz YFCKPOKZWLKYAU-AWEZNQCLSA-N 0 3 384.440 0.233 20 0 GCADHN CCNC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000377783174 1188136357 /nfs/dbraw/zinc/13/63/57/1188136357.db2.gz OEKCNPIOVCBECC-JKSUJKDBSA-N 0 3 389.456 0.746 20 0 GCADHN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)c2)n[nH]1 ZINC000377789581 1188138364 /nfs/dbraw/zinc/13/83/64/1188138364.db2.gz ZDZBXTFDYAYORU-JKSUJKDBSA-N 0 3 384.440 0.698 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1C ZINC000584539101 1188143745 /nfs/dbraw/zinc/14/37/45/1188143745.db2.gz JJDYUWFBUBFMIR-IRXDYDNUSA-N 0 3 383.514 0.495 20 0 GCADHN NC(=O)CCOc1ccccc1NC(=O)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000415715744 1188147557 /nfs/dbraw/zinc/14/75/57/1188147557.db2.gz VUPIPKQKCAYFFI-QGZVFWFLSA-N 0 3 396.447 0.883 20 0 GCADHN NC(=O)CCOc1ccc(NC(=O)C(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000415718049 1188149129 /nfs/dbraw/zinc/14/91/29/1188149129.db2.gz ZSUIIRBXKOUJCJ-GOSISDBHSA-N 0 3 396.447 0.883 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000549348908 1188155131 /nfs/dbraw/zinc/15/51/31/1188155131.db2.gz QPNZBJXJOWDYRJ-ZBFHGGJFSA-N 0 3 388.468 0.965 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000377861393 1188161209 /nfs/dbraw/zinc/16/12/09/1188161209.db2.gz QAAVYJCLIGTABW-UHFFFAOYSA-N 0 3 379.505 0.337 20 0 GCADHN CN(C)CCN1CCN(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)CC1=O ZINC000651136853 1188163692 /nfs/dbraw/zinc/16/36/92/1188163692.db2.gz MOHNQIORRDFPGM-IAGOWNOFSA-N 0 3 375.473 0.717 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCNC[C@@](C)(F)C3)cn2)CC1 ZINC000415780181 1188163696 /nfs/dbraw/zinc/16/36/96/1188163696.db2.gz KEPSYJOPELPHKL-LJQANCHMSA-N 0 3 393.463 0.653 20 0 GCADHN COC(=O)c1cn([C@H]2CCN(C(=O)N[C@H](C)CCN3CCN(C)CC3)C2)nn1 ZINC000472899066 1189365018 /nfs/dbraw/zinc/36/50/18/1189365018.db2.gz OJBYNEHDLVFQKB-CABCVRRESA-N 0 3 393.492 0.047 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000377917279 1189373267 /nfs/dbraw/zinc/37/32/67/1189373267.db2.gz SGTBKIMLPPFYQG-MOPGFXCFSA-N 0 3 394.560 0.888 20 0 GCADHN CCc1ccccc1[C@@H](N)CNC(=O)C(=O)Nc1c(OC)ncnc1N(C)C ZINC000415833373 1189374981 /nfs/dbraw/zinc/37/49/81/1189374981.db2.gz HRHPLLDMOXPDIL-AWEZNQCLSA-N 0 3 386.456 0.868 20 0 GCADHN COC(=O)c1c(NC(=O)C(=O)NC[C@H]2CNCCO2)sc2c1CCCCC2 ZINC000415859889 1189384392 /nfs/dbraw/zinc/38/43/92/1189384392.db2.gz HASVNAVNXGGDQO-LLVKDONJSA-N 0 3 395.481 0.847 20 0 GCADHN CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NC[C@H]2CNCCO2)cc1F ZINC000415861203 1189384693 /nfs/dbraw/zinc/38/46/93/1189384693.db2.gz IQXOHNXHIVRDJN-GFCCVEGCSA-N 0 3 391.407 0.103 20 0 GCADHN Cc1cc(Sc2ncccn2)ccc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415859379 1189384716 /nfs/dbraw/zinc/38/47/16/1189384716.db2.gz GFSSCRYQVJQRDC-CYBMUJFWSA-N 0 3 387.465 0.979 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000472915012 1189384727 /nfs/dbraw/zinc/38/47/27/1189384727.db2.gz QNEPTFVKFZSCAY-MRXNPFEDSA-N 0 3 393.507 0.810 20 0 GCADHN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415861726 1189385318 /nfs/dbraw/zinc/38/53/18/1189385318.db2.gz JPGIRBYXZQCGDE-SNVBAGLBSA-N 0 3 383.470 0.875 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000415862474 1189385333 /nfs/dbraw/zinc/38/53/33/1189385333.db2.gz KIJCKESSGVXGCQ-SNVBAGLBSA-N 0 3 379.310 0.810 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000415861767 1189385531 /nfs/dbraw/zinc/38/55/31/1189385531.db2.gz JSVOOMXUGHTRND-SECBINFHSA-N 0 3 395.309 0.933 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000415856669 1189386827 /nfs/dbraw/zinc/38/68/27/1189386827.db2.gz BHUMBOBGCSCGBK-AWEZNQCLSA-N 0 3 397.357 0.934 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000472915741 1189390092 /nfs/dbraw/zinc/39/00/92/1189390092.db2.gz UBXYNMYOEJVNJE-INIZCTEOSA-N 0 3 397.545 0.290 20 0 GCADHN CCOCCOc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415873859 1189391647 /nfs/dbraw/zinc/39/16/47/1189391647.db2.gz ZHQNZGBDJTUIIO-LBPRGKRZSA-N 0 3 385.848 0.798 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000415871936 1189393786 /nfs/dbraw/zinc/39/37/86/1189393786.db2.gz VNAJYPGTFVWPDO-ZDUSSCGKSA-N 0 3 398.916 0.936 20 0 GCADHN COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000415873204 1189393808 /nfs/dbraw/zinc/39/38/08/1189393808.db2.gz YFGIYUOJGCALRG-ZDUSSCGKSA-N 0 3 379.413 0.304 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCN1C(=O)c2ccccc2C1=O ZINC000472923208 1189398205 /nfs/dbraw/zinc/39/82/05/1189398205.db2.gz IZFMXKWIQRQDLI-HNNXBMFYSA-N 0 3 387.484 0.608 20 0 GCADHN CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCOC3(CNC3)C2)c(C)c1 ZINC000415885620 1189398511 /nfs/dbraw/zinc/39/85/11/1189398511.db2.gz FUASTUQROVNMJC-CQSZACIVSA-N 0 3 388.468 0.663 20 0 GCADHN CCN(CC)C(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000377981775 1189399883 /nfs/dbraw/zinc/39/98/83/1189399883.db2.gz BAYNUKVBHLLVJP-QGZVFWFLSA-N 0 3 390.484 0.896 20 0 GCADHN O=C(Nc1cc(F)c(OC(F)F)cc1F)C(=O)N1CCOC2(CNC2)C1 ZINC000415897420 1189400921 /nfs/dbraw/zinc/40/09/21/1189400921.db2.gz RZERUCJKHCCQRM-UHFFFAOYSA-N 0 3 377.294 0.706 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000590315454 1189408598 /nfs/dbraw/zinc/40/85/98/1189408598.db2.gz RQTSAKWTMHSDRV-GOSISDBHSA-N 0 3 399.495 0.799 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCCC(=O)N3CCOCC3)C2)CC1 ZINC000378112082 1189417594 /nfs/dbraw/zinc/41/75/94/1189417594.db2.gz ODYWZBICDGEGOU-QGZVFWFLSA-N 0 3 381.521 0.045 20 0 GCADHN CC(C)O[C@]1(CS(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC000659900422 1189436619 /nfs/dbraw/zinc/43/66/19/1189436619.db2.gz IPBGMFZJDTVMMS-NVXWUHKLSA-N 0 3 391.534 0.077 20 0 GCADHN CC(C)O[C@@]1(CS(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CCOC1 ZINC000659900429 1189436878 /nfs/dbraw/zinc/43/68/78/1189436878.db2.gz IPBGMFZJDTVMMS-WBVHZDCISA-N 0 3 391.534 0.077 20 0 GCADHN COC(=O)N1CC(NC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)C1 ZINC000378191618 1189439580 /nfs/dbraw/zinc/43/95/80/1189439580.db2.gz JWYVQKBDIIDFIB-UHFFFAOYSA-N 0 3 384.440 0.744 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cc1OCC(N)=O ZINC000041598716 1189452411 /nfs/dbraw/zinc/45/24/11/1189452411.db2.gz XSEJICBMFOHCIX-LBPRGKRZSA-N 0 3 378.429 0.098 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cc1 ZINC000041598436 1189452445 /nfs/dbraw/zinc/45/24/45/1189452445.db2.gz YWYDMQOSYLLTFM-AWEZNQCLSA-N 0 3 376.457 0.741 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OCCOC)cc2)CC1 ZINC000041641148 1189455385 /nfs/dbraw/zinc/45/53/85/1189455385.db2.gz FOXFQYPCMNRGDI-MRXNPFEDSA-N 0 3 392.500 0.793 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000041720339 1189457281 /nfs/dbraw/zinc/45/72/81/1189457281.db2.gz DOCIVGFMAGTUSY-UHFFFAOYSA-N 0 3 384.484 0.955 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC1 ZINC000041719645 1189457388 /nfs/dbraw/zinc/45/73/88/1189457388.db2.gz RNQVTZYHBZAMMY-UHFFFAOYSA-N 0 3 393.463 0.866 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000041720158 1189457588 /nfs/dbraw/zinc/45/75/88/1189457588.db2.gz QDWLOWBVLLDFDF-UHFFFAOYSA-N 0 3 378.473 0.786 20 0 GCADHN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000107368824 1189457671 /nfs/dbraw/zinc/45/76/71/1189457671.db2.gz UWGLOCDISNDNOG-QZTJIDSGSA-N 0 3 380.533 0.642 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(C(=O)NC)c2C)CC1 ZINC000041720557 1189457746 /nfs/dbraw/zinc/45/77/46/1189457746.db2.gz GBNCZVLBLXKMNZ-UHFFFAOYSA-N 0 3 389.500 0.437 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000378305718 1189468726 /nfs/dbraw/zinc/46/87/26/1189468726.db2.gz CIHVPOPPKKULNV-QAPCUYQASA-N 0 3 394.541 0.693 20 0 GCADHN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000378301211 1189469759 /nfs/dbraw/zinc/46/97/59/1189469759.db2.gz HOHILONRGIUDTI-GOSISDBHSA-N 0 3 387.484 0.822 20 0 GCADHN CCNC(=O)COc1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1OC ZINC000378303501 1189470070 /nfs/dbraw/zinc/47/00/70/1189470070.db2.gz DTXKQVHAHTXKPI-INIZCTEOSA-N 0 3 390.484 0.216 20 0 GCADHN CCn1cnnc1CNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000041910763 1189472900 /nfs/dbraw/zinc/47/29/00/1189472900.db2.gz UEHPOFBYUBCITA-UHFFFAOYSA-N 0 3 399.499 0.690 20 0 GCADHN CC(C)O[C@]1(CS(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)CCOC1 ZINC000659951907 1189483134 /nfs/dbraw/zinc/48/31/34/1189483134.db2.gz OYWXUFLNOUTWDD-GOSISDBHSA-N 0 3 391.578 0.858 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC12CCCCC2 ZINC000378343341 1189483691 /nfs/dbraw/zinc/48/36/91/1189483691.db2.gz SAQIVPVEOMPKJU-KRWDZBQOSA-N 0 3 378.517 0.790 20 0 GCADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc(CN2CCOCC2)o1 ZINC000893224727 1189498120 /nfs/dbraw/zinc/49/81/20/1189498120.db2.gz BEOVHEXPCYISDZ-IBGZPJMESA-N 0 3 381.473 0.531 20 0 GCADHN C[C@H](CNC(=O)N[C@H]1c2ccccc2OC[C@H]1CO)CN1CCN(C)CC1 ZINC000893238408 1189507652 /nfs/dbraw/zinc/50/76/52/1189507652.db2.gz SUZWEZUUHACTQG-GPMSIDNRSA-N 0 3 376.501 0.911 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000544109781 1189507860 /nfs/dbraw/zinc/50/78/60/1189507860.db2.gz JGGZBWKGDOWABY-JWZBEHFJSA-N 0 3 381.498 0.084 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)CCOCC2CCCC2)CC1 ZINC000416384133 1189507920 /nfs/dbraw/zinc/50/79/20/1189507920.db2.gz IMNJVTRMAMEOKH-UHFFFAOYSA-N 0 3 387.546 0.763 20 0 GCADHN COCCOc1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)ccn1 ZINC000378478157 1189516406 /nfs/dbraw/zinc/51/64/06/1189516406.db2.gz SGWIFHKWSAZKBW-INIZCTEOSA-N 0 3 376.457 0.661 20 0 GCADHN CN(C)CC(C)(C)NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC000416511854 1189536534 /nfs/dbraw/zinc/53/65/34/1189536534.db2.gz NYNWXBCFDUIDDC-UHFFFAOYSA-N 0 3 397.497 0.559 20 0 GCADHN C[C@H](O)CN1CCN(c2nccc(N3CCN(C[C@H](C)O)C[C@@H]3C)n2)[C@H](C)C1 ZINC000893258904 1189549751 /nfs/dbraw/zinc/54/97/51/1189549751.db2.gz MCTZQDVNTOGFTO-MHORFTMASA-N 0 3 392.548 0.259 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCC3(CS(C)(=O)=O)CC3)C2)CC1 ZINC000363891799 1189555090 /nfs/dbraw/zinc/55/50/90/1189555090.db2.gz HEBPJCMNHSWYRS-INIZCTEOSA-N 0 3 386.562 0.621 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000511570514 1189556889 /nfs/dbraw/zinc/55/68/89/1189556889.db2.gz DTBSHPRNRJQYEK-BPQIPLTHSA-N 0 3 381.480 0.951 20 0 GCADHN COc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000416587642 1189559076 /nfs/dbraw/zinc/55/90/76/1189559076.db2.gz QBFZTGRAGVVLNO-UHFFFAOYSA-N 0 3 384.502 0.165 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000363903660 1189562581 /nfs/dbraw/zinc/56/25/81/1189562581.db2.gz KZBVWXXWHHNPQI-ARFHVFGLSA-N 0 3 389.452 0.772 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000363951920 1189586968 /nfs/dbraw/zinc/58/69/68/1189586968.db2.gz VAIXVNIXVMHMJP-QAPCUYQASA-N 0 3 377.533 0.665 20 0 GCADHN CCN1CCN(C(=O)CC2CCN([C@H](C)C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000108919331 1189595821 /nfs/dbraw/zinc/59/58/21/1189595821.db2.gz QGSJNRNQTVWYAE-MJGOQNOKSA-N 0 3 394.560 0.936 20 0 GCADHN C[C@@H](NC(=O)NC[C@H]1CNCCO1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000417029552 1189609032 /nfs/dbraw/zinc/60/90/32/1189609032.db2.gz NPWQZIUOPSNZHH-CXAGYDPISA-N 0 3 376.457 0.693 20 0 GCADHN CS(=O)(=O)CC1(CNC(=O)C(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000584599128 1189609964 /nfs/dbraw/zinc/60/99/64/1189609964.db2.gz QIHPZWRBLMLTLV-OAHLLOKOSA-N 0 3 379.482 0.012 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cc4c(s3)CCCC4)CCN2C1=O ZINC000584666123 1189616699 /nfs/dbraw/zinc/61/66/99/1189616699.db2.gz KXZMNUBZPBDNGT-CHWSQXEVSA-N 0 3 376.482 0.127 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)CNC(=O)c3cc4c(s3)CCCC4)CCN2C1=O ZINC000584666124 1189616744 /nfs/dbraw/zinc/61/67/44/1189616744.db2.gz KXZMNUBZPBDNGT-OLZOCXBDSA-N 0 3 376.482 0.127 20 0 GCADHN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000364031373 1189619732 /nfs/dbraw/zinc/61/97/32/1189619732.db2.gz GHFNSYIKPPLDTO-WBVHZDCISA-N 0 3 390.484 0.975 20 0 GCADHN CC[C@H](C(=O)OC)N1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000511605229 1189620445 /nfs/dbraw/zinc/62/04/45/1189620445.db2.gz IXTFRZZUEAXCOZ-RTBURBONSA-N 0 3 390.528 0.975 20 0 GCADHN O=C(COc1ccc(CCNC(=O)NC[C@H]2CNCCO2)cc1)NC1CC1 ZINC000417185043 1189629389 /nfs/dbraw/zinc/62/93/89/1189629389.db2.gz RSVKSSMIIITPOX-QGZVFWFLSA-N 0 3 376.457 0.174 20 0 GCADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N1C[C@@H](O)C[C@@H]1CO ZINC000364048605 1189631064 /nfs/dbraw/zinc/63/10/64/1189631064.db2.gz QOSLLXDRGBMCMI-MOPGFXCFSA-N 0 3 376.501 0.726 20 0 GCADHN CC[C@@H](NC(=O)NC[C@@H]1CNCCO1)c1ccccc1OCC(=O)N(C)C ZINC000417190370 1189631156 /nfs/dbraw/zinc/63/11/56/1189631156.db2.gz XGLZPISDAJGPCQ-GOEBONIOSA-N 0 3 378.473 0.892 20 0 GCADHN CO[C@@H](CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000296116424 1189635658 /nfs/dbraw/zinc/63/56/58/1189635658.db2.gz FGZNVSOHNYFNKH-ROUUACIJSA-N 0 3 395.525 0.942 20 0 GCADHN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000364063190 1189636448 /nfs/dbraw/zinc/63/64/48/1189636448.db2.gz SXWNBQAZKZBTST-ZOCZFRKYSA-N 0 3 398.463 0.359 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584731152 1189642159 /nfs/dbraw/zinc/64/21/59/1189642159.db2.gz HSVGTICLXIQAEF-FMKPAKJESA-N 0 3 394.497 0.192 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584731165 1189642323 /nfs/dbraw/zinc/64/23/23/1189642323.db2.gz HSVGTICLXIQAEF-IIAWOOMASA-N 0 3 394.497 0.192 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)n(C(C)(C)C)n1 ZINC000584748614 1189649777 /nfs/dbraw/zinc/64/97/77/1189649777.db2.gz JEGVARWXHGEQOJ-CQSZACIVSA-N 0 3 378.521 0.885 20 0 GCADHN Cc1cc(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)C2=O)n(C)n1 ZINC000893302737 1189651613 /nfs/dbraw/zinc/65/16/13/1189651613.db2.gz HMCGJDHPPPXGQO-XHSDSOJGSA-N 0 3 390.488 0.074 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@H](C)O1 ZINC000364092708 1189653255 /nfs/dbraw/zinc/65/32/55/1189653255.db2.gz ZTHOCFFBGOWMRK-BIENJYKASA-N 0 3 380.489 0.713 20 0 GCADHN Cc1nc(S(=O)(=O)NCC(=O)NCCN(C)Cc2ccccc2)cn1C ZINC000511630512 1189669307 /nfs/dbraw/zinc/66/93/07/1189669307.db2.gz RTTFDJKIRRDCIZ-UHFFFAOYSA-N 0 3 379.486 0.255 20 0 GCADHN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000274460634 1189680096 /nfs/dbraw/zinc/68/00/96/1189680096.db2.gz JODMZORWRJYLEJ-HNNXBMFYSA-N 0 3 398.529 0.624 20 0 GCADHN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC000974343518 1189683771 /nfs/dbraw/zinc/68/37/71/1189683771.db2.gz BAOMGJDLLDMXEJ-JIZODHBISA-N 0 3 387.480 0.036 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC(=O)Nc1ccccc1 ZINC000584846148 1189689997 /nfs/dbraw/zinc/68/99/97/1189689997.db2.gz HLPPDCQCQXQHLN-KRWDZBQOSA-N 0 3 390.484 0.701 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000584852703 1189691492 /nfs/dbraw/zinc/69/14/92/1189691492.db2.gz CPHKIAYILILGID-MRXNPFEDSA-N 0 3 388.516 0.002 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1(c2ccccc2)CCCC1 ZINC000584850375 1189691870 /nfs/dbraw/zinc/69/18/70/1189691870.db2.gz UDWZJSJGKMXRDO-SZMVWBNQSA-N 0 3 398.507 0.774 20 0 GCADHN C[C@@H]1CN(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)[C@@H](C)CN1 ZINC000417625908 1189693282 /nfs/dbraw/zinc/69/32/82/1189693282.db2.gz QHTJRWDLIDMRCJ-KGLIPLIRSA-N 0 3 384.502 0.191 20 0 GCADHN CCN(CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC ZINC000364242633 1189720074 /nfs/dbraw/zinc/72/00/74/1189720074.db2.gz VWDHJRVODGCIQJ-KRWDZBQOSA-N 0 3 393.484 0.739 20 0 GCADHN Cc1c(C(=O)NC[C@@]2(O)CCO[C@@H]2C)nnn1-c1cccc2c1CCN(C)C2 ZINC000364261332 1189725279 /nfs/dbraw/zinc/72/52/79/1189725279.db2.gz LFDLTSQILJLDOQ-VLIAUNLRSA-N 0 3 385.468 0.833 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000364299170 1189738096 /nfs/dbraw/zinc/73/80/96/1189738096.db2.gz ZJNRJJFPHCHXHN-SFHVURJKSA-N 0 3 397.479 0.838 20 0 GCADHN CC[C@@H](NCc1ccc(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1)C(N)=O ZINC001267936691 1189738626 /nfs/dbraw/zinc/73/86/26/1189738626.db2.gz LJFICLHUAOVFGI-WNRNVDISSA-N 0 3 375.469 0.708 20 0 GCADHN CC(=O)N[C@]1(c2nc(C)cs2)CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000617597545 1189741415 /nfs/dbraw/zinc/74/14/15/1189741415.db2.gz INORNVOYKSZOJZ-MAUKXSAKSA-N 0 3 377.514 0.405 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCCn3ccnn3)CC2)C[C@H](C)O1 ZINC000500262935 1189750790 /nfs/dbraw/zinc/75/07/90/1189750790.db2.gz IEDBZWMQMPAGQU-IYBDPMFKSA-N 0 3 392.504 0.132 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)o1 ZINC000298527995 1189757364 /nfs/dbraw/zinc/75/73/64/1189757364.db2.gz IRBXBMHIEFFMLO-ZBFHGGJFSA-N 0 3 392.456 0.435 20 0 GCADHN C[C@]1(CNc2nc(NC[C@]3(C)CCCO3)nc(N3CCOCC3)n2)CCCO1 ZINC000500291412 1189762813 /nfs/dbraw/zinc/76/28/13/1189762813.db2.gz 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C[C@@H](C(=O)NCC(=O)NCCN1CCCCC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000909325962 1189790835 /nfs/dbraw/zinc/79/08/35/1189790835.db2.gz AWLSVTIMVYBPQK-HRCADAONSA-N 0 3 392.500 0.268 20 0 GCADHN COC(=O)COc1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1 ZINC000909326354 1189792521 /nfs/dbraw/zinc/79/25/21/1189792521.db2.gz WROMTCAMXIYWFY-UHFFFAOYSA-N 0 3 377.441 0.570 20 0 GCADHN O=C(CNC(=O)CNC(=O)c1cccc(Cl)c1)NCCN1CCCCC1 ZINC000909327218 1189795199 /nfs/dbraw/zinc/79/51/99/1189795199.db2.gz BMEKXLRUDRLEFW-UHFFFAOYSA-N 0 3 380.876 0.788 20 0 GCADHN CN(C)C(=O)COc1ccccc1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909328419 1189797856 /nfs/dbraw/zinc/79/78/56/1189797856.db2.gz WOEAFXRQMOSMSO-UHFFFAOYSA-N 0 3 390.484 0.486 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644805226 1189801698 /nfs/dbraw/zinc/80/16/98/1189801698.db2.gz VZPDYKRHOYXOEY-XUVXKRRUSA-N 0 3 398.507 0.846 20 0 GCADHN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(CC3CCCCC3)CC2)cn1C ZINC000511660012 1189802188 /nfs/dbraw/zinc/80/21/88/1189802188.db2.gz AJCWUDSAKOLXFX-UHFFFAOYSA-N 0 3 397.545 0.731 20 0 GCADHN CN1CCN(CCCNC(=O)N[C@@H]2COCC[C@H]2O)[C@@H](c2ccccc2)C1 ZINC000636559835 1189806537 /nfs/dbraw/zinc/80/65/37/1189806537.db2.gz GIJZALUGRBEKOJ-GUDVDZBRSA-N 0 3 376.501 0.814 20 0 GCADHN O=C(NC[C@]1(N2CCOCC2)CCSC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660446783 1189820400 /nfs/dbraw/zinc/82/04/00/1189820400.db2.gz JUZOGJSFPCXKKJ-IEBWSBKVSA-N 0 3 398.573 0.747 20 0 GCADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000660470727 1189843693 /nfs/dbraw/zinc/84/36/93/1189843693.db2.gz YRELSITUHCDICA-LAUBAEHRSA-N 0 3 386.496 0.704 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000660470698 1189843754 /nfs/dbraw/zinc/84/37/54/1189843754.db2.gz XUQGSQIILULVJS-NEWSRXKRSA-N 0 3 389.496 0.982 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cccc3c2OCCC3)C1 ZINC000651546229 1189861084 /nfs/dbraw/zinc/86/10/84/1189861084.db2.gz LRKMIBFOOMMJPX-OAHLLOKOSA-N 0 3 381.498 0.877 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC000974717989 1189880994 /nfs/dbraw/zinc/88/09/94/1189880994.db2.gz DUBWUZSYPFVKOS-WCXIOVBPSA-N 0 3 390.528 0.644 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2cccc3c2OCCC3)CC1 ZINC000651549272 1189881205 /nfs/dbraw/zinc/88/12/05/1189881205.db2.gz GJVCWHJDQXRENZ-UHFFFAOYSA-N 0 3 393.509 0.940 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@H]2CCCN2CC(F)F)CC1 ZINC000636601909 1189883447 /nfs/dbraw/zinc/88/34/47/1189883447.db2.gz XUCWYVDVVKJOSQ-CQSZACIVSA-N 0 3 376.448 0.059 20 0 GCADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N[C@H]1COC[C@H]1O ZINC000636609274 1189888416 /nfs/dbraw/zinc/88/84/16/1189888416.db2.gz MZUXXEHECTYEJN-RBUKOAKNSA-N 0 3 376.501 0.643 20 0 GCADHN COc1ccc(CNC[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001026969278 1189897556 /nfs/dbraw/zinc/89/75/56/1189897556.db2.gz QLNKOJMRHXFDHI-YQYZPQCESA-N 0 3 376.457 0.475 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4c(C)nc[n-]c4=O)[C@@H]3C2)CC[N@@H+]1C ZINC000974848828 1189902591 /nfs/dbraw/zinc/90/25/91/1189902591.db2.gz BUKZNNQEZWUEIA-QKPAOTATSA-N 0 3 387.484 0.894 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4c(C)nc[n-]c4=O)[C@@H]3C2)CC[N@H+]1C ZINC000974848828 1189902594 /nfs/dbraw/zinc/90/25/94/1189902594.db2.gz BUKZNNQEZWUEIA-QKPAOTATSA-N 0 3 387.484 0.894 20 0 GCADHN CC1(C)CN(CCCN2C(=O)CNC2=O)C[C@@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000974848293 1189903319 /nfs/dbraw/zinc/90/33/19/1189903319.db2.gz CPCAZRUQMIGBNW-REISYBLGSA-N 0 3 390.484 0.178 20 0 GCADHN CC(=O)c1cn(C2CN(C(=O)NC3CCN(CCOC(C)C)CC3)C2)nn1 ZINC000893398964 1189906533 /nfs/dbraw/zinc/90/65/33/1189906533.db2.gz SSDKXMMCLLJXPX-UHFFFAOYSA-N 0 3 378.477 0.936 20 0 GCADHN COCC1(NCC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)CCOCC1 ZINC000660634232 1189919088 /nfs/dbraw/zinc/91/90/88/1189919088.db2.gz JQADCWKMNBYLGV-CQSZACIVSA-N 0 3 381.448 0.904 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2c2nccs2)CC1 ZINC000247220119 1189923974 /nfs/dbraw/zinc/92/39/74/1189923974.db2.gz WJARGMXWUFRCRH-LSDHHAIUSA-N 0 3 377.514 0.877 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC000660706003 1189938164 /nfs/dbraw/zinc/93/81/64/1189938164.db2.gz ZFQBJBUOQXTAOC-LSDHHAIUSA-N 0 3 376.457 0.820 20 0 GCADHN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660713386 1189939173 /nfs/dbraw/zinc/93/91/73/1189939173.db2.gz RQSJMTKVBLASPP-QWHCGFSZSA-N 0 3 378.395 0.702 20 0 GCADHN O=S(=O)(NCc1ccccc1CN1CCC[C@H]1CO)N1CCCOCC1 ZINC000651636117 1189949915 /nfs/dbraw/zinc/94/99/15/1189949915.db2.gz YOPYFHLBWMLTBX-SFHVURJKSA-N 0 3 383.514 0.700 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000049279894 1189954727 /nfs/dbraw/zinc/95/47/27/1189954727.db2.gz AQXLSRCTOITGKQ-UHFFFAOYSA-N 0 3 387.484 0.506 20 0 GCADHN CCOc1ccc(N2CCN(C(=O)NC3CCN(CCOC)CC3)CC2)nn1 ZINC000660840023 1189955537 /nfs/dbraw/zinc/95/55/37/1189955537.db2.gz VJMYLLXAHGNIGL-UHFFFAOYSA-N 0 3 392.504 0.818 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000660853172 1189956058 /nfs/dbraw/zinc/95/60/58/1189956058.db2.gz RJXKNHLJOBQRGM-IRXDYDNUSA-N 0 3 381.521 0.045 20 0 GCADHN C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000660884160 1189963056 /nfs/dbraw/zinc/96/30/56/1189963056.db2.gz KBFGISVATCGJQP-RYRKJORJSA-N 0 3 377.485 0.310 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)C[C@H](O)C2CC2)c1 ZINC000660944820 1189969430 /nfs/dbraw/zinc/96/94/30/1189969430.db2.gz AASLXFMOGDFIBB-SFHVURJKSA-N 0 3 377.485 0.815 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000975762084 1189972126 /nfs/dbraw/zinc/97/21/26/1189972126.db2.gz UTIJUNWVILDQFF-YVSFHVDLSA-N 0 3 390.528 0.644 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C4(N(C)C)CCC4)C[C@@H]32)O1 ZINC000975760911 1189972311 /nfs/dbraw/zinc/97/23/11/1189972311.db2.gz OTMOJFDTMKBXJA-VSZNYVQBSA-N 0 3 392.544 0.639 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@H]2C1 ZINC000975775597 1189976105 /nfs/dbraw/zinc/97/61/05/1189976105.db2.gz ADRLDSOPPRRNCB-DWRORGKVSA-N 0 3 393.528 0.972 20 0 GCADHN CS(=O)(=O)N1CC(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000661045930 1189984379 /nfs/dbraw/zinc/98/43/79/1189984379.db2.gz LNHYDVUEDPBHMC-UHFFFAOYSA-N 0 3 395.529 0.484 20 0 GCADHN CC1(C)CCN(CC(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)C1 ZINC000976025081 1189999017 /nfs/dbraw/zinc/99/90/17/1189999017.db2.gz IPXBQAZVVNVIFX-FZKCQIBNSA-N 0 3 376.501 0.289 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC000647707091 1190011021 /nfs/dbraw/zinc/01/10/21/1190011021.db2.gz WDTMBMKGKLPJMS-SJORKVTESA-N 0 3 395.525 0.997 20 0 GCADHN C[C@@H]1CN(C(=O)NCC2CCS(=O)(=O)CC2)CC[C@H]1N1CCN(C)CC1 ZINC001671255615 1190013193 /nfs/dbraw/zinc/01/31/93/1190013193.db2.gz IDURAQSARNFFES-NVXWUHKLSA-N 0 3 386.562 0.479 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CNC(=O)c2ccccc2OC(F)F)n1 ZINC000662749506 1190018482 /nfs/dbraw/zinc/01/84/82/1190018482.db2.gz IWHUFBYZITWUJM-UHFFFAOYSA-N 0 3 381.339 0.289 20 0 GCADHN COc1ccc(CN2C[C@@H](C(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2=O)cc1 ZINC000662753609 1190018759 /nfs/dbraw/zinc/01/87/59/1190018759.db2.gz STWISBZRQXPXJK-ZDUSSCGKSA-N 0 3 385.424 0.314 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662752081 1190018921 /nfs/dbraw/zinc/01/89/21/1190018921.db2.gz GPHANZMQZKZNCX-UHFFFAOYSA-N 0 3 393.469 0.600 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000662753680 1190019110 /nfs/dbraw/zinc/01/91/10/1190019110.db2.gz VDZBYIQHVGGGEQ-AWEZNQCLSA-N 0 3 399.451 0.575 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 ZINC000662753539 1190019163 /nfs/dbraw/zinc/01/91/63/1190019163.db2.gz SUQPGECKORDJNY-UHFFFAOYSA-N 0 3 397.482 0.417 20 0 GCADHN CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000662753203 1190019384 /nfs/dbraw/zinc/01/93/84/1190019384.db2.gz PRJZHVRVKGNUFH-UHFFFAOYSA-N 0 3 379.442 0.258 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2=O ZINC000662754505 1190019850 /nfs/dbraw/zinc/01/98/50/1190019850.db2.gz PRKWQXAYHWQILF-UHFFFAOYSA-N 0 3 390.444 0.148 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000662754660 1190020470 /nfs/dbraw/zinc/02/04/70/1190020470.db2.gz SYWRVJJIGBGCIC-UHFFFAOYSA-N 0 3 393.469 0.600 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 ZINC000662754532 1190020654 /nfs/dbraw/zinc/02/06/54/1190020654.db2.gz QCJHKRFUHHIQIA-NSHDSACASA-N 0 3 399.407 0.081 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(CC4CCOCC4)CC3)[C@H]2C1 ZINC000661403651 1190043280 /nfs/dbraw/zinc/04/32/80/1190043280.db2.gz YAIQTOPSSKTITP-MSOLQXFVSA-N 0 3 378.517 0.110 20 0 GCADHN Cc1c(CN)c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nn1C ZINC000662837407 1190047109 /nfs/dbraw/zinc/04/71/09/1190047109.db2.gz BCJUUYJLMWZICV-LBPRGKRZSA-N 0 3 385.424 0.950 20 0 GCADHN CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nn(C)c(C)c2CN)cc1 ZINC000662839817 1190048988 /nfs/dbraw/zinc/04/89/88/1190048988.db2.gz YXPDNKOIXMJLMU-UHFFFAOYSA-N 0 3 395.485 0.893 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O)N1CCCCC1 ZINC000976712521 1190057690 /nfs/dbraw/zinc/05/76/90/1190057690.db2.gz DDXLTZHXRWGKEQ-QKPAOTATSA-N 0 3 378.517 0.916 20 0 GCADHN O=C(C(=O)N1CCOCC2(CCOCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000661481630 1190058201 /nfs/dbraw/zinc/05/82/01/1190058201.db2.gz RRBPHPXCRHESSQ-QGZVFWFLSA-N 0 3 379.501 0.729 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@](C)(NCC(=O)OC(C)(C)C)C3)C[C@@H]21 ZINC000411015265 1193720370 /nfs/dbraw/zinc/72/03/70/1193720370.db2.gz FVGHHTLGLPRHHE-QEEYODRMSA-N 0 3 394.516 0.071 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)c3ccsc3)CC2)C1 ZINC000411018819 1193720793 /nfs/dbraw/zinc/72/07/93/1193720793.db2.gz DPNJPEHTRZIGMR-MRXNPFEDSA-N 0 3 392.525 0.974 20 0 GCADHN COC[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccsc2)C[C@H](C)O1 ZINC000411050605 1193724886 /nfs/dbraw/zinc/72/48/86/1193724886.db2.gz ZXMPCRCULNEVLO-GOEBONIOSA-N 0 3 383.514 0.901 20 0 GCADHN C[C@@H]1CN(CCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@H](C)CO1 ZINC000663915685 1193725784 /nfs/dbraw/zinc/72/57/84/1193725784.db2.gz GWXHHYCMVQBNIW-BRWVUGGUSA-N 0 3 383.537 0.338 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000759990198 1193728215 /nfs/dbraw/zinc/72/82/15/1193728215.db2.gz RTVHEIJQQKFACL-DLBZAZTESA-N 0 3 375.473 0.983 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCCc1cn2c(n1)CCCC2 ZINC000512655890 1193728398 /nfs/dbraw/zinc/72/83/98/1193728398.db2.gz XCFICOSVVFAEFN-UHFFFAOYSA-N 0 3 392.548 0.451 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000663914960 1193728503 /nfs/dbraw/zinc/72/85/03/1193728503.db2.gz CIKIYZIKBRAOCQ-CVEARBPZSA-N 0 3 395.548 0.875 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCC(=O)N1CCc2ccccc21 ZINC000663922523 1193730384 /nfs/dbraw/zinc/73/03/84/1193730384.db2.gz XSEBIPRUNZYRGW-UHFFFAOYSA-N 0 3 375.473 0.237 20 0 GCADHN O=c1c2ccccc2nc(N2CCN([C@H]3CCNC(=O)CC3)CC2)n1CCO ZINC000894110418 1193740704 /nfs/dbraw/zinc/74/07/04/1193740704.db2.gz GLGABIXICQZHAQ-OAHLLOKOSA-N 0 3 385.468 0.180 20 0 GCADHN CCNC(=O)NC(=O)CNC[C@@](C)(NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC001481936213 1193745196 /nfs/dbraw/zinc/74/51/96/1193745196.db2.gz NMVIHDLWMPNXKO-XLSWBCMISA-N 0 3 378.473 0.130 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000152257092 1193747214 /nfs/dbraw/zinc/74/72/14/1193747214.db2.gz WNTHENQAFZBNOV-SFHVURJKSA-N 0 3 382.464 0.836 20 0 GCADHN C[C@H](CS(C)(=O)=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000433090246 1193748304 /nfs/dbraw/zinc/74/83/04/1193748304.db2.gz RHKAQSNAJOETTN-GDBMZVCRSA-N 0 3 386.489 0.866 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000509787451 1193757594 /nfs/dbraw/zinc/75/75/94/1193757594.db2.gz DBYCPZMYVRJLAV-ZDUSSCGKSA-N 0 3 376.457 0.600 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000473479648 1193764565 /nfs/dbraw/zinc/76/45/65/1193764565.db2.gz PRBKUOGTVLNGDB-AWEZNQCLSA-N 0 3 375.473 0.726 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)N1CCc2sccc2C1 ZINC000419247963 1193764709 /nfs/dbraw/zinc/76/47/09/1193764709.db2.gz XNQALBGZUDPBPN-VNHYZAJKSA-N 0 3 394.541 0.840 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC(CN2CCOCC2)CC1 ZINC000051957588 1193772496 /nfs/dbraw/zinc/77/24/96/1193772496.db2.gz GIJLDVDXCYOEHI-SFHVURJKSA-N 0 3 381.517 0.975 20 0 GCADHN COCCn1c(N)c(C(=O)CN[C@H]2CCCC[C@@H]2n2cccn2)c(=O)[nH]c1=O ZINC000411554802 1193774451 /nfs/dbraw/zinc/77/44/51/1193774451.db2.gz FYVRWWRHEOOVAQ-STQMWFEESA-N 0 3 390.444 0.330 20 0 GCADHN O=C(NCc1cccnc1Oc1cccc(F)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419265777 1193775285 /nfs/dbraw/zinc/77/52/85/1193775285.db2.gz FCOAVJLYAJUCNY-INIZCTEOSA-N 0 3 388.399 0.734 20 0 GCADHN CCCNC(=O)[C@H]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512821784 1193779801 /nfs/dbraw/zinc/77/98/01/1193779801.db2.gz SEKGKELIGWRJKG-SFHVURJKSA-N 0 3 397.564 0.324 20 0 GCADHN C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1)n1cncn1 ZINC000509819514 1193784827 /nfs/dbraw/zinc/78/48/27/1193784827.db2.gz MZSZFXZAJWNRBV-QWHCGFSZSA-N 0 3 387.444 0.483 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000419290720 1193788114 /nfs/dbraw/zinc/78/81/14/1193788114.db2.gz VWEFCMHTTHLREQ-HOTGVXAUSA-N 0 3 391.468 0.348 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCNC[C@@H]1C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419305340 1193797210 /nfs/dbraw/zinc/79/72/10/1193797210.db2.gz WMLJEXLGIUDXLD-LSDHHAIUSA-N 0 3 391.491 0.575 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000263241302 1193808289 /nfs/dbraw/zinc/80/82/89/1193808289.db2.gz LFTVCMKVHWCLMQ-PXNSSMCTSA-N 0 3 390.528 0.835 20 0 GCADHN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419323180 1193813688 /nfs/dbraw/zinc/81/36/88/1193813688.db2.gz UBKZWMYPSWGKCY-AVGNSLFASA-N 0 3 378.477 0.582 20 0 GCADHN CC[C@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000614334751 1193817045 /nfs/dbraw/zinc/81/70/45/1193817045.db2.gz JSYLFSQNBMHGGX-INIZCTEOSA-N 0 3 381.498 0.938 20 0 GCADHN CC[C@H]1CN(C)CCCN1C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000614335414 1193817409 /nfs/dbraw/zinc/81/74/09/1193817409.db2.gz OOQJFSWQEHVQRT-LBPRGKRZSA-N 0 3 396.469 0.185 20 0 GCADHN CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000419327716 1193819501 /nfs/dbraw/zinc/81/95/01/1193819501.db2.gz ZWLJPPTYZLTXDK-QZTJIDSGSA-N 0 3 397.479 0.876 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000419330983 1193823137 /nfs/dbraw/zinc/82/31/37/1193823137.db2.gz RFBQOFWGBATGJZ-UKRRQHHQSA-N 0 3 391.468 0.736 20 0 GCADHN CNC(=O)COc1cccc(CNCc2cnc(N3CCN(C)CC3)nc2)c1 ZINC000513039524 1193830852 /nfs/dbraw/zinc/83/08/52/1193830852.db2.gz BDATXLNDRBVFPM-UHFFFAOYSA-N 0 3 384.484 0.643 20 0 GCADHN COCCNS(=O)(=O)c1cc(NC(=O)N(C)CCN(C)C)ccc1OC ZINC000433425752 1193830906 /nfs/dbraw/zinc/83/09/06/1193830906.db2.gz YZUWKKGCDIUCHZ-UHFFFAOYSA-N 0 3 388.490 0.645 20 0 GCADHN CCO[C@@H]1C[C@H](N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)[C@H]1OC ZINC000894145922 1193831357 /nfs/dbraw/zinc/83/13/57/1193831357.db2.gz PTJWPJGDOTYKFW-IHETXDGRSA-N 0 3 379.505 0.989 20 0 GCADHN O=C(NCCc1ccccc1OC(F)(F)F)C(=O)NC[C@@H]1CNCCO1 ZINC000419338440 1193832913 /nfs/dbraw/zinc/83/29/13/1193832913.db2.gz SODGBKLMAITSEJ-LBPRGKRZSA-N 0 3 375.347 0.349 20 0 GCADHN CC(C)CNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001482060096 1193834479 /nfs/dbraw/zinc/83/44/79/1193834479.db2.gz ALJBCZDUIFBKBQ-NTCWUJLTSA-N 0 3 392.500 0.472 20 0 GCADHN CN(C)[C@H]1CN(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C[C@@H]1O ZINC000664086777 1193845317 /nfs/dbraw/zinc/84/53/17/1193845317.db2.gz XTWHBAADOILQCR-QYZOEREBSA-N 0 3 376.501 0.246 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C[C@@H]1O ZINC000664104539 1193852540 /nfs/dbraw/zinc/85/25/40/1193852540.db2.gz KMLRAEOHZLWIQO-ROUUACIJSA-N 0 3 395.548 0.027 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CNC[C@H]3CCCO3)cn2)C[C@@H](C)O1 ZINC000429992557 1193869763 /nfs/dbraw/zinc/86/97/63/1193869763.db2.gz QWUQKJIBBODWKZ-IIAWOOMASA-N 0 3 379.461 0.226 20 0 GCADHN COc1cccc(OCCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419376123 1193876882 /nfs/dbraw/zinc/87/68/82/1193876882.db2.gz RPMXEEZNOQVFAS-CZUORRHYSA-N 0 3 379.457 0.810 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000408461597 1193877987 /nfs/dbraw/zinc/87/79/87/1193877987.db2.gz ATIQPVNIHXLGQG-MRXNPFEDSA-N 0 3 394.541 0.882 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)cc1 ZINC000419382828 1193887182 /nfs/dbraw/zinc/88/71/82/1193887182.db2.gz IMKSSCHJZSRXKJ-ZOBUZTSGSA-N 0 3 395.525 0.859 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)n1 ZINC000614443937 1193915138 /nfs/dbraw/zinc/91/51/38/1193915138.db2.gz SDQFOGZGPBNSHJ-CQSZACIVSA-N 0 3 393.536 0.853 20 0 GCADHN CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000614445939 1193915626 /nfs/dbraw/zinc/91/56/26/1193915626.db2.gz JXDQTUIEIIQZQH-OAHLLOKOSA-N 0 3 382.505 0.648 20 0 GCADHN Cc1ccn(C[C@](C)(O)C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c(=O)c1 ZINC000279973645 1193917560 /nfs/dbraw/zinc/91/75/60/1193917560.db2.gz YYHAXZXRVWCKCG-HLIPFELVSA-N 0 3 379.501 0.913 20 0 GCADHN Cc1ccn(C[C@](C)(O)C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c(=O)c1 ZINC000279973648 1193917598 /nfs/dbraw/zinc/91/75/98/1193917598.db2.gz YYHAXZXRVWCKCG-QKLQHJQFSA-N 0 3 379.501 0.913 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C2(CC(=O)N3CCOCC3)CCCC2)CC1 ZINC000513207107 1193921716 /nfs/dbraw/zinc/92/17/16/1193921716.db2.gz UBTQIVWQHOYXPB-GOSISDBHSA-N 0 3 394.560 0.938 20 0 GCADHN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@@H](N)C1CCOCC1 ZINC000261628893 1193921765 /nfs/dbraw/zinc/92/17/65/1193921765.db2.gz CUJLSOLHEQIHTP-INIZCTEOSA-N 0 3 383.470 0.828 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000261693708 1193923551 /nfs/dbraw/zinc/92/35/51/1193923551.db2.gz IRIAOACFBAEQOH-KRWDZBQOSA-N 0 3 383.500 0.500 20 0 GCADHN N[C@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCOCC1 ZINC000261720697 1193923837 /nfs/dbraw/zinc/92/38/37/1193923837.db2.gz JHYLFIWNRXUTPD-KRWDZBQOSA-N 0 3 381.498 0.841 20 0 GCADHN Cc1ccnc(-n2nccc2NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000429998355 1193923930 /nfs/dbraw/zinc/92/39/30/1193923930.db2.gz ZGONKMRWCOWCKG-UHFFFAOYSA-N 0 3 399.499 0.610 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N)CC2)cc1OCC ZINC000261899769 1193930761 /nfs/dbraw/zinc/93/07/61/1193930761.db2.gz UWRMXEMDSZZGLB-CYBMUJFWSA-N 0 3 385.486 0.664 20 0 GCADHN COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@H](N)C2CCOCC2)C1=O ZINC000261944061 1193932610 /nfs/dbraw/zinc/93/26/10/1193932610.db2.gz JRGNGXHDFZNZEN-CHWSQXEVSA-N 0 3 381.454 0.510 20 0 GCADHN COc1ccc(C(=O)N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)cc1 ZINC000261992190 1193935016 /nfs/dbraw/zinc/93/50/16/1193935016.db2.gz CXKJBFFKSIKPOG-KRWDZBQOSA-N 0 3 376.457 0.079 20 0 GCADHN O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)C[C@H]2COCCN2)c1 ZINC000262028679 1193936491 /nfs/dbraw/zinc/93/64/91/1193936491.db2.gz BFONDDVKSSJNEE-SFHVURJKSA-N 0 3 390.484 0.342 20 0 GCADHN N[C@H](C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCOCC1 ZINC000262093728 1193938665 /nfs/dbraw/zinc/93/86/65/1193938665.db2.gz UOJAFPUAGDHENU-SFHVURJKSA-N 0 3 394.903 0.859 20 0 GCADHN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H](N)C1CCOCC1 ZINC000262096316 1193939136 /nfs/dbraw/zinc/93/91/36/1193939136.db2.gz UUFSVTVKEQSOCS-GOSISDBHSA-N 0 3 377.441 0.999 20 0 GCADHN CCOC(=O)c1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc(S(C)(=O)=O)c1 ZINC000262117209 1193939740 /nfs/dbraw/zinc/93/97/40/1193939740.db2.gz NAAJMGHUKGHJNF-HNNXBMFYSA-N 0 3 399.469 0.305 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000262136900 1193940094 /nfs/dbraw/zinc/94/00/94/1193940094.db2.gz OJBWJNMHESDBAR-KRWDZBQOSA-N 0 3 396.513 0.009 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000262131397 1193940113 /nfs/dbraw/zinc/94/01/13/1193940113.db2.gz OBXIQVBDNZPKPH-HUBLWGQQSA-N 0 3 383.518 0.790 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000262187699 1193941299 /nfs/dbraw/zinc/94/12/99/1193941299.db2.gz RKJNZLWEWBXMJI-WBMJQRKESA-N 0 3 384.502 0.214 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000262187697 1193941343 /nfs/dbraw/zinc/94/13/43/1193941343.db2.gz RKJNZLWEWBXMJI-LRDDRELGSA-N 0 3 384.502 0.214 20 0 GCADHN CC[C@@H](C)[C@H](N)C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000262317244 1193944971 /nfs/dbraw/zinc/94/49/71/1193944971.db2.gz PNRWSFXMQGTESC-WBMJQRKESA-N 0 3 396.513 0.885 20 0 GCADHN Cc1cccc2c1ncn(CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c2=O ZINC000513437635 1193951673 /nfs/dbraw/zinc/95/16/73/1193951673.db2.gz DMCZFUMGGOOCDM-KRWDZBQOSA-N 0 3 399.495 0.764 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000513439845 1193951788 /nfs/dbraw/zinc/95/17/88/1193951788.db2.gz PGGZRUSEQCQGOR-AWEZNQCLSA-N 0 3 395.504 0.156 20 0 GCADHN Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000647817405 1193953050 /nfs/dbraw/zinc/95/30/50/1193953050.db2.gz JOBSKBVHBRGLCK-CVEARBPZSA-N 0 3 391.516 0.913 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C12CCC2 ZINC000513468967 1193954172 /nfs/dbraw/zinc/95/41/72/1193954172.db2.gz LXKRXEVQJXPJEU-DLBZAZTESA-N 0 3 380.533 0.546 20 0 GCADHN COc1cccc(C[C@H](NC(C)=O)C(=O)N[C@H](CO)CN2CCCCC2)c1 ZINC000413820726 1193956749 /nfs/dbraw/zinc/95/67/49/1193956749.db2.gz RDSNTKBIAMBBBQ-HKUYNNGSSA-N 0 3 377.485 0.705 20 0 GCADHN CN1CCN(c2ncc(CN[C@@H]3CCCC[C@H]3NS(C)(=O)=O)cn2)CC1 ZINC000430017740 1193959251 /nfs/dbraw/zinc/95/92/51/1193959251.db2.gz UDNSZRSAEZALMA-HZPDHXFCSA-N 0 3 382.534 0.178 20 0 GCADHN C[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000664205971 1193959334 /nfs/dbraw/zinc/95/93/34/1193959334.db2.gz HZZFRDXXMNSRLS-DSLXNQLJSA-N 0 3 376.501 0.592 20 0 GCADHN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)n1 ZINC000430030143 1193960359 /nfs/dbraw/zinc/96/03/59/1193960359.db2.gz HNBFXCRZSYBULK-AWEZNQCLSA-N 0 3 383.456 0.984 20 0 GCADHN COc1cccc([C@H](C)N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)c1 ZINC000263109798 1193962029 /nfs/dbraw/zinc/96/20/29/1193962029.db2.gz DLKARQIXASQUJL-KXBFYZLASA-N 0 3 376.501 1.000 20 0 GCADHN COC[C@H](CNC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1)OC ZINC000513568668 1193962681 /nfs/dbraw/zinc/96/26/81/1193962681.db2.gz WAAQZUFUDIZBLA-HNNXBMFYSA-N 0 3 380.445 0.271 20 0 GCADHN C[C@@H]1CN(c2ccnc(N3C[C@H](C)N(CCO)C[C@@H]3C)n2)[C@H](C)CN1CCO ZINC000894234100 1193968524 /nfs/dbraw/zinc/96/85/24/1193968524.db2.gz RWOBENAUYLGVJW-XDNAFOTISA-N 0 3 392.548 0.259 20 0 GCADHN C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C)CN1CCO ZINC000894234950 1193970266 /nfs/dbraw/zinc/97/02/66/1193970266.db2.gz YPGSBOISWFJAEX-CVEARBPZSA-N 0 3 383.514 0.599 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H](CN3CCCC3=O)C2)CC1 ZINC000664218981 1193970452 /nfs/dbraw/zinc/97/04/52/1193970452.db2.gz GHNLYOSXCHOTOX-QZTJIDSGSA-N 0 3 379.549 0.914 20 0 GCADHN CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NCCNC(=O)c2cccnc2)cc1 ZINC000419396696 1193970796 /nfs/dbraw/zinc/97/07/96/1193970796.db2.gz SSBPGVTXKWIKSU-SFHVURJKSA-N 0 3 397.479 0.867 20 0 GCADHN C[C@@H](CNCC(=O)NC(C1CC1)C1CC1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001268696044 1193973172 /nfs/dbraw/zinc/97/31/72/1193973172.db2.gz DOHJLSOMPNDZOI-BMYCAMMWSA-N 0 3 379.501 0.437 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(F)cc(C(=O)OC)c1F ZINC000280221779 1193980543 /nfs/dbraw/zinc/98/05/43/1193980543.db2.gz BGZYADROQQDPRS-UHFFFAOYSA-N 0 3 387.383 0.727 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(N2CCOCC2)ccc1C ZINC000280664018 1194011944 /nfs/dbraw/zinc/01/19/44/1194011944.db2.gz DYMVTXGEACZDKM-UHFFFAOYSA-N 0 3 392.500 0.855 20 0 GCADHN C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@](C)(C(N)=O)C1 ZINC000280693597 1194013419 /nfs/dbraw/zinc/01/34/19/1194013419.db2.gz HVSZVPVUZXWKKC-VOJFVSQTSA-N 0 3 376.413 0.692 20 0 GCADHN O=C(NCc1ccc(-n2cnc3ccccc32)cc1)C(=O)NC[C@H]1CNCCO1 ZINC000419397882 1194018824 /nfs/dbraw/zinc/01/88/24/1194018824.db2.gz WCZPGWQRSSTQOT-QGZVFWFLSA-N 0 3 393.447 0.746 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000419406811 1194021486 /nfs/dbraw/zinc/02/14/86/1194021486.db2.gz JIDFFAXYQRAZFQ-RCBQFDQVSA-N 0 3 380.464 0.774 20 0 GCADHN Cc1cc(C)cc(CCNC(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000419459255 1194033525 /nfs/dbraw/zinc/03/35/25/1194033525.db2.gz FNCVKUJKPNBTKG-GOSISDBHSA-N 0 3 384.484 0.876 20 0 GCADHN Cc1cc(NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)n(C)n1 ZINC000501043309 1194039563 /nfs/dbraw/zinc/03/95/63/1194039563.db2.gz CABLKQPTEMWUAJ-UHFFFAOYSA-N 0 3 386.412 0.775 20 0 GCADHN CN1C(=O)C[C@@H](NC(=O)C(=O)N2CCCNCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000419499407 1194046138 /nfs/dbraw/zinc/04/61/38/1194046138.db2.gz XYIBDPJBLCQTNB-ZBFHGGJFSA-N 0 3 396.850 0.689 20 0 GCADHN CN1C(=O)C[C@@H](NC(=O)C(=O)N2CCCNCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000419499404 1194046326 /nfs/dbraw/zinc/04/63/26/1194046326.db2.gz XYIBDPJBLCQTNB-GDBMZVCRSA-N 0 3 396.850 0.689 20 0 GCADHN CCS(=O)(=O)NCCNC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419517010 1194052339 /nfs/dbraw/zinc/05/23/39/1194052339.db2.gz VSGYSHRHCGRFIF-MRXNPFEDSA-N 0 3 392.481 0.011 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000419540899 1194055600 /nfs/dbraw/zinc/05/56/00/1194055600.db2.gz HPLMXAOELGJKBU-CZUORRHYSA-N 0 3 390.484 0.276 20 0 GCADHN CN1C(=O)C[C@@H](NC(=O)C(=O)N2CCCNCC2)[C@H]1c1ccc(Cl)cc1 ZINC000419555808 1194058850 /nfs/dbraw/zinc/05/88/50/1194058850.db2.gz BCPRCKFNQUARSC-GDBMZVCRSA-N 0 3 378.860 0.550 20 0 GCADHN COc1ccc(COCCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419588617 1194066164 /nfs/dbraw/zinc/06/61/64/1194066164.db2.gz OPGZOGYTIVNQHN-WMLDXEAASA-N 0 3 393.484 0.947 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)ccc1OC ZINC000419595845 1194068038 /nfs/dbraw/zinc/06/80/38/1194068038.db2.gz MKRWHVZIKSZNAY-SMDDNHRTSA-N 0 3 393.440 0.327 20 0 GCADHN CO[C@@H]1[C@H](C)[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419623304 1194071067 /nfs/dbraw/zinc/07/10/67/1194071067.db2.gz FJAHIGNRXXDNSB-UQOMUDLDSA-N 0 3 378.477 0.076 20 0 GCADHN COC(=O)c1ccc(CNC(=O)[C@H](C)NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000501149267 1194073298 /nfs/dbraw/zinc/07/32/98/1194073298.db2.gz OVURTVRAFNZEMM-KBXCAEBGSA-N 0 3 375.469 0.931 20 0 GCADHN COC(=O)c1ccc(CNC(=O)[C@H](C)NC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000501149269 1194073510 /nfs/dbraw/zinc/07/35/10/1194073510.db2.gz OVURTVRAFNZEMM-KSSFIOAISA-N 0 3 375.469 0.931 20 0 GCADHN COCCCOc1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419634827 1194074646 /nfs/dbraw/zinc/07/46/46/1194074646.db2.gz INHAFSHWXRXTSN-YOEHRIQHSA-N 0 3 393.484 0.947 20 0 GCADHN N[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@H]1c1ccccc1F ZINC000419682367 1194081167 /nfs/dbraw/zinc/08/11/67/1194081167.db2.gz SPTAYFXJOVPQAK-DUVNUKRYSA-N 0 3 397.472 0.162 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000419704411 1194083091 /nfs/dbraw/zinc/08/30/91/1194083091.db2.gz GKJFSPXWNIRUED-DGCLKSJQSA-N 0 3 394.438 0.606 20 0 GCADHN COc1ccc(OC)c(CCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1 ZINC000419697903 1194087357 /nfs/dbraw/zinc/08/73/57/1194087357.db2.gz OYYZEDUWOHCVLQ-CZUORRHYSA-N 0 3 393.484 0.982 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1=O ZINC000419727278 1194088591 /nfs/dbraw/zinc/08/85/91/1194088591.db2.gz IQAVSAFNOCYIQQ-HZPDHXFCSA-N 0 3 398.467 0.331 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@H](N)c2ccccc2)C1=O ZINC000419727279 1194088918 /nfs/dbraw/zinc/08/89/18/1194088918.db2.gz IQAVSAFNOCYIQQ-JKSUJKDBSA-N 0 3 398.467 0.331 20 0 GCADHN CCOC(=O)c1csc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)n1 ZINC000419731456 1194090028 /nfs/dbraw/zinc/09/00/28/1194090028.db2.gz LJWLTZJGYUKSJO-GHMZBOCLSA-N 0 3 398.485 0.208 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1)N(C)C ZINC000501260513 1194097689 /nfs/dbraw/zinc/09/76/89/1194097689.db2.gz KIHGDFHIGBRVHL-ZDUSSCGKSA-N 0 3 375.473 0.393 20 0 GCADHN CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C(=O)N2CCCNCC2)cc1 ZINC000419757236 1194098386 /nfs/dbraw/zinc/09/83/86/1194098386.db2.gz TZUQFKBDNQINQL-UHFFFAOYSA-N 0 3 395.525 0.696 20 0 GCADHN CCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OCC ZINC000419739045 1194099964 /nfs/dbraw/zinc/09/99/64/1194099964.db2.gz JEZGLHFFCJOEPR-ZFWWWQNUSA-N 0 3 379.457 0.766 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000419812301 1194112428 /nfs/dbraw/zinc/11/24/28/1194112428.db2.gz ZIYPPYWWGMBCLP-MLGOLLRUSA-N 0 3 388.468 0.424 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1)c1ccccc1 ZINC000419914383 1194138159 /nfs/dbraw/zinc/13/81/59/1194138159.db2.gz BUXMXZNPKIXLPO-QWHCGFSZSA-N 0 3 386.374 0.330 20 0 GCADHN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419916982 1194138698 /nfs/dbraw/zinc/13/86/98/1194138698.db2.gz FPROKJRBLYGENI-IAGOWNOFSA-N 0 3 397.479 0.944 20 0 GCADHN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)NC[C@@H](N)c1ccccc1)CC2 ZINC000419924266 1194139235 /nfs/dbraw/zinc/13/92/35/1194139235.db2.gz HDZXDBHOKCCADB-BRWVUGGUSA-N 0 3 375.469 0.581 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419927711 1194140244 /nfs/dbraw/zinc/14/02/44/1194140244.db2.gz KCZKWGZCLWQYTB-OIISXLGYSA-N 0 3 390.484 0.192 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CCN1CCOC ZINC000419930662 1194140308 /nfs/dbraw/zinc/14/03/08/1194140308.db2.gz OKSGXJHUXHXEGL-ROUUACIJSA-N 0 3 376.501 0.762 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000419928592 1194140378 /nfs/dbraw/zinc/14/03/78/1194140378.db2.gz LGOIGCOHLBMQFF-ZWKOTPCHSA-N 0 3 380.448 0.892 20 0 GCADHN CC(C)CN1C[C@H]2CN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CCN2C1=O ZINC000419929578 1194140629 /nfs/dbraw/zinc/14/06/29/1194140629.db2.gz MQSQJYAKZHJMJD-SJORKVTESA-N 0 3 387.484 0.407 20 0 GCADHN CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419940674 1194145665 /nfs/dbraw/zinc/14/56/65/1194145665.db2.gz ZWTVVXDABIMSRG-OAHLLOKOSA-N 0 3 375.473 0.455 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000420024491 1194158191 /nfs/dbraw/zinc/15/81/91/1194158191.db2.gz BECSVULAVKWDHM-SWLSCSKDSA-N 0 3 396.438 0.843 20 0 GCADHN Cc1cnccc1OC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420023952 1194158259 /nfs/dbraw/zinc/15/82/59/1194158259.db2.gz AXVWYIPQJZRLJE-GDBMZVCRSA-N 0 3 390.484 0.989 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000420022978 1194158384 /nfs/dbraw/zinc/15/83/84/1194158384.db2.gz AHGVADHYHGWSSF-TZMCWYRMSA-N 0 3 379.436 0.099 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000420024487 1194158394 /nfs/dbraw/zinc/15/83/94/1194158394.db2.gz BECSVULAVKWDHM-DOMZBBRYSA-N 0 3 396.438 0.843 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000420023192 1194158412 /nfs/dbraw/zinc/15/84/12/1194158412.db2.gz AJPMKSOKRKJZCU-KSYCFECVSA-N 0 3 379.432 0.689 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000420026396 1194158825 /nfs/dbraw/zinc/15/88/25/1194158825.db2.gz BTJPPRGRYPHECF-GDJRKYJOSA-N 0 3 397.422 0.828 20 0 GCADHN COCCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000420024653 1194159063 /nfs/dbraw/zinc/15/90/63/1194159063.db2.gz BJBJHSKTAIPWNT-WBVHZDCISA-N 0 3 377.485 0.933 20 0 GCADHN Cc1cnccc1OC1CCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420023955 1194159101 /nfs/dbraw/zinc/15/91/01/1194159101.db2.gz AXVWYIPQJZRLJE-ZBFHGGJFSA-N 0 3 390.484 0.989 20 0 GCADHN 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ZINC000420035381 1194161698 /nfs/dbraw/zinc/16/16/98/1194161698.db2.gz KFLZSWGVWFURBX-UKRRQHHQSA-N 0 3 395.529 0.407 20 0 GCADHN CCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000420057847 1194163658 /nfs/dbraw/zinc/16/36/58/1194163658.db2.gz JMQWELXRBNVGGV-JSGCOSHPSA-N 0 3 377.441 0.993 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccc2ccccc2c1 ZINC000420060409 1194164425 /nfs/dbraw/zinc/16/44/25/1194164425.db2.gz PYPSDJMHWLCKHY-WOJBJXKFSA-N 0 3 396.491 0.889 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000420062361 1194164961 /nfs/dbraw/zinc/16/49/61/1194164961.db2.gz MNKWAUQSZCNDBJ-LUQKVYGDSA-N 0 3 389.496 0.812 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@@]1(CO)Cc1ccccc1 ZINC000420062368 1194165097 /nfs/dbraw/zinc/16/50/97/1194165097.db2.gz MNKWAUQSZCNDBJ-XPIZARPCSA-N 0 3 389.496 0.812 20 0 GCADHN COc1cccc2c1CCN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)CC2 ZINC000420039418 1194165420 /nfs/dbraw/zinc/16/54/20/1194165420.db2.gz NXKINLQTTUKLRA-CZUORRHYSA-N 0 3 375.469 0.852 20 0 GCADHN CC(C)OCCOC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420038249 1194165795 /nfs/dbraw/zinc/16/57/95/1194165795.db2.gz MSULXJKDNCQPQM-GDBMZVCRSA-N 0 3 385.505 0.648 20 0 GCADHN COc1cccc2c1CCN(C(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000420039413 1194165817 /nfs/dbraw/zinc/16/58/17/1194165817.db2.gz NXKINLQTTUKLRA-BBRMVZONSA-N 0 3 375.469 0.852 20 0 GCADHN Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@@H]3C)CC2)c1 ZINC000420039796 1194166377 /nfs/dbraw/zinc/16/63/77/1194166377.db2.gz OEPUMTYVOCQKMS-GDBMZVCRSA-N 0 3 390.484 0.989 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cccc(F)c2F)CC1 ZINC000420042069 1194166952 /nfs/dbraw/zinc/16/69/52/1194166952.db2.gz QHLWOMYKEIVDJO-OCCSQVGLSA-N 0 3 396.438 0.843 20 0 GCADHN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420044193 1194167230 /nfs/dbraw/zinc/16/72/30/1194167230.db2.gz 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COc1cc2c(cc1F)CN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000420046714 1194169136 /nfs/dbraw/zinc/16/91/36/1194169136.db2.gz VUBKUIGCZPNDSY-XHDPSFHLSA-N 0 3 379.432 0.948 20 0 GCADHN COc1cccc(N2CCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)c1 ZINC000420050992 1194169384 /nfs/dbraw/zinc/16/93/84/1194169384.db2.gz ZPPUHRFESVNJSY-WMLDXEAASA-N 0 3 390.484 0.573 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000420048969 1194169469 /nfs/dbraw/zinc/16/94/69/1194169469.db2.gz XTXKBXBOWUNVGO-YFKTTZPYSA-N 0 3 381.395 0.377 20 0 GCADHN CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)no1 ZINC000420054143 1194171033 /nfs/dbraw/zinc/17/10/33/1194171033.db2.gz GXTVHWYFZLXVNT-XQQFMLRXSA-N 0 3 395.460 0.322 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000420055165 1194171095 /nfs/dbraw/zinc/17/10/95/1194171095.db2.gz HQMDVRGUYFNVLU-AEFFLSMTSA-N 0 3 388.512 0.950 20 0 GCADHN COCCN1CCN(C(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000420069155 1194171668 /nfs/dbraw/zinc/17/16/68/1194171668.db2.gz BFWVJSGJPSJVPL-IBGZPJMESA-N 0 3 384.480 0.746 20 0 GCADHN CCCCCC(=O)NC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000420064284 1194175439 /nfs/dbraw/zinc/17/54/39/1194175439.db2.gz OHVPDIATERACBU-GOEBONIOSA-N 0 3 396.532 0.903 20 0 GCADHN CCCCCC(=O)NC1CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420064282 1194175722 /nfs/dbraw/zinc/17/57/22/1194175722.db2.gz OHVPDIATERACBU-GDBMZVCRSA-N 0 3 396.532 0.903 20 0 GCADHN COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C)CC2 ZINC000420065696 1194176411 /nfs/dbraw/zinc/17/64/11/1194176411.db2.gz PUUFRPKBEOQSAY-BLLLJJGKSA-N 0 3 389.452 0.587 20 0 GCADHN NCC(F)(F)CNC(=O)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000420157114 1194190415 /nfs/dbraw/zinc/19/04/15/1194190415.db2.gz WRABROZBQPBCSJ-LBPRGKRZSA-N 0 3 378.383 0.845 20 0 GCADHN COC(=O)c1cnc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000501557501 1194193313 /nfs/dbraw/zinc/19/33/13/1194193313.db2.gz UXNADZGXMTZARZ-JKSUJKDBSA-N 0 3 384.436 0.876 20 0 GCADHN Cc1ccc(OC2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1C ZINC000420197498 1194201851 /nfs/dbraw/zinc/20/18/51/1194201851.db2.gz MAVLMMGIWPAMLZ-GOSISDBHSA-N 0 3 375.469 0.778 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000420199015 1194203139 /nfs/dbraw/zinc/20/31/39/1194203139.db2.gz MZAYZFQPRAXHEV-INIZCTEOSA-N 0 3 377.416 0.352 20 0 GCADHN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420201690 1194203546 /nfs/dbraw/zinc/20/35/46/1194203546.db2.gz OGYCDUKDJJHHIS-IRXDYDNUSA-N 0 3 391.468 0.307 20 0 GCADHN CCOc1cc2c(cc1OCC)CN(C(=O)C(=O)NC[C@@H]1CNCCO1)CC2 ZINC000420201402 1194203703 /nfs/dbraw/zinc/20/37/03/1194203703.db2.gz ONSNSRCNVNARDB-INIZCTEOSA-N 0 3 391.468 0.473 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000420201416 1194203767 /nfs/dbraw/zinc/20/37/67/1194203767.db2.gz OPAUYFSYIRDEQP-AWEZNQCLSA-N 0 3 381.860 0.814 20 0 GCADHN Cc1ccc(C)c(OC2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 ZINC000420204674 1194204272 /nfs/dbraw/zinc/20/42/72/1194204272.db2.gz SMCFIJHQUQKORX-KRWDZBQOSA-N 0 3 375.469 0.778 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000420189309 1194206336 /nfs/dbraw/zinc/20/63/36/1194206336.db2.gz DJPRQSOUEZMLBP-OCCSQVGLSA-N 0 3 390.465 0.301 20 0 GCADHN COc1ccc(C(=O)C2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000420191451 1194206922 /nfs/dbraw/zinc/20/69/22/1194206922.db2.gz HCMUZPKRKMQQIL-KRWDZBQOSA-N 0 3 389.452 0.221 20 0 GCADHN CCCN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000420190005 1194206932 /nfs/dbraw/zinc/20/69/32/1194206932.db2.gz FKLMPNKYHIIQKK-RDJZCZTQSA-N 0 3 390.484 0.747 20 0 GCADHN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420190990 1194207821 /nfs/dbraw/zinc/20/78/21/1194207821.db2.gz GRBKQTJJPCVEKT-RHSMWYFYSA-N 0 3 385.468 0.824 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000420194673 1194208263 /nfs/dbraw/zinc/20/82/63/1194208263.db2.gz FTHPKAZNNWCLFW-GFCCVEGCSA-N 0 3 376.844 0.811 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000420195696 1194208765 /nfs/dbraw/zinc/20/87/65/1194208765.db2.gz KUYODFUIRSARQQ-KGLIPLIRSA-N 0 3 381.860 0.814 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000420195498 1194208778 /nfs/dbraw/zinc/20/87/78/1194208778.db2.gz HJCYNQFOXCIJML-CQSZACIVSA-N 0 3 381.423 0.851 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000420196157 1194209058 /nfs/dbraw/zinc/20/90/58/1194209058.db2.gz LDRRXHMVYQJLLA-LSDHHAIUSA-N 0 3 399.394 0.293 20 0 GCADHN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420207750 1194211668 /nfs/dbraw/zinc/21/16/68/1194211668.db2.gz XKQZKMRWAWTCHQ-KRWDZBQOSA-N 0 3 385.468 0.572 20 0 GCADHN COc1ccc2[nH]cc(C3=CCN(C(=O)C(=O)NC[C@@H]4CNCCO4)CC3)c2c1 ZINC000420209004 1194212455 /nfs/dbraw/zinc/21/24/55/1194212455.db2.gz YQCOZWVHHJBTRR-INIZCTEOSA-N 0 3 398.463 0.897 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC000420210966 1194212835 /nfs/dbraw/zinc/21/28/35/1194212835.db2.gz WQKXFKGSPXDONH-QGZVFWFLSA-N 0 3 383.448 0.672 20 0 GCADHN COC(=O)c1ccc(C)c(S(=O)(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000420481082 1194231739 /nfs/dbraw/zinc/23/17/39/1194231739.db2.gz QCKQWLVRPUFEAQ-OAHLLOKOSA-N 0 3 393.469 0.858 20 0 GCADHN NCc1cn([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)C2)nn1 ZINC000420478841 1194232940 /nfs/dbraw/zinc/23/29/40/1194232940.db2.gz LWTRIJDOIDZLAD-CQSZACIVSA-N 0 3 393.469 0.924 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)CC1 ZINC000647905165 1194236995 /nfs/dbraw/zinc/23/69/95/1194236995.db2.gz GOHBBMYFTHSAIK-UHFFFAOYSA-N 0 3 378.498 0.752 20 0 GCADHN CO[C@@H](Cc1ccccc1)CS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000420658470 1194252200 /nfs/dbraw/zinc/25/22/00/1194252200.db2.gz CCMMVTAEKLJSDP-ROUUACIJSA-N 0 3 397.541 0.751 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000501954518 1194252330 /nfs/dbraw/zinc/25/23/30/1194252330.db2.gz FAUFEAQZROWNOD-UHFFFAOYSA-N 0 3 398.510 0.927 20 0 GCADHN COCCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000502038850 1194259705 /nfs/dbraw/zinc/25/97/05/1194259705.db2.gz XDXXAIJRFICBFZ-UHFFFAOYSA-N 0 3 399.513 0.786 20 0 GCADHN COC(=O)[C@@H]1CSCCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000420806481 1194265350 /nfs/dbraw/zinc/26/53/50/1194265350.db2.gz WQZIYHCUDXDHFA-AWEZNQCLSA-N 0 3 385.530 0.732 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCN1C)N(C)C ZINC000420813430 1194266743 /nfs/dbraw/zinc/26/67/43/1194266743.db2.gz HHUYMSOROQMYSB-WBVHZDCISA-N 0 3 376.501 0.967 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)c1nnnn1-c1ccccc1 ZINC000502111403 1194269304 /nfs/dbraw/zinc/26/93/04/1194269304.db2.gz MDEFUQOFTOLNAM-RDJZCZTQSA-N 0 3 397.483 0.926 20 0 GCADHN NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000420883355 1194271054 /nfs/dbraw/zinc/27/10/54/1194271054.db2.gz VOFRFPOLMYGNRN-WKILWMFISA-N 0 3 379.505 0.228 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1)C1=CCN(C)CC1 ZINC000502135836 1194271307 /nfs/dbraw/zinc/27/13/07/1194271307.db2.gz BQZKJHQJOOCONR-KGLIPLIRSA-N 0 3 383.456 0.606 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)c1nnnn1-c1ccccc1 ZINC000502135838 1194271489 /nfs/dbraw/zinc/27/14/89/1194271489.db2.gz BQZKJHQJOOCONR-ZIAGYGMSSA-N 0 3 383.456 0.606 20 0 GCADHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000502141945 1194272567 /nfs/dbraw/zinc/27/25/67/1194272567.db2.gz QYDMENSCTPVDRJ-GDBMZVCRSA-N 0 3 385.472 0.782 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](CCO)CC1 ZINC000421021346 1194285456 /nfs/dbraw/zinc/28/54/56/1194285456.db2.gz SIFXBLWSYAGWOU-HZPDHXFCSA-N 0 3 397.541 0.866 20 0 GCADHN COCCCOc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000268927894 1194285576 /nfs/dbraw/zinc/28/55/76/1194285576.db2.gz LNNXWXBWDHSLGD-KRWDZBQOSA-N 0 3 390.484 0.876 20 0 GCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000502263479 1194286982 /nfs/dbraw/zinc/28/69/82/1194286982.db2.gz AFPMLYRMODVFHB-KBAYOESNSA-N 0 3 386.496 0.893 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)Cc2ccccc2C1 ZINC000502273101 1194289944 /nfs/dbraw/zinc/28/99/44/1194289944.db2.gz VLIJROUCLFKNFA-ZWKOTPCHSA-N 0 3 398.507 0.471 20 0 GCADHN Cc1ccc([C@H](CNC(=O)C(=O)N(C)C[C@H]2CCCN2C)N2CCOCC2)o1 ZINC000421073255 1194291693 /nfs/dbraw/zinc/29/16/93/1194291693.db2.gz VAUAELRQESFMRV-SJORKVTESA-N 0 3 392.500 0.630 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000421075966 1194292230 /nfs/dbraw/zinc/29/22/30/1194292230.db2.gz BCJLMJJDTYRPQE-LBPRGKRZSA-N 0 3 398.389 0.917 20 0 GCADHN O=C(Nc1ccccc1O[C@H]1CC(=O)N1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000421178100 1194301839 /nfs/dbraw/zinc/30/18/39/1194301839.db2.gz BEKWVIJGGYYNLG-KDOFPFPSSA-N 0 3 386.452 0.937 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1nc2c(s1)CCC2(C)C ZINC000421212837 1194306801 /nfs/dbraw/zinc/30/68/01/1194306801.db2.gz YOVNGKKMBVLQLM-UHFFFAOYSA-N 0 3 398.529 0.705 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC3(CC(N)=O)CC3)c2)CC1 ZINC000421240412 1194315170 /nfs/dbraw/zinc/31/51/70/1194315170.db2.gz AETUZEDVPBWMKR-UHFFFAOYSA-N 0 3 387.484 0.539 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1F ZINC000421280740 1194320174 /nfs/dbraw/zinc/32/01/74/1194320174.db2.gz WXOWKZWLNPSATP-OAHLLOKOSA-N 0 3 378.448 0.533 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c(C)c1 ZINC000421302787 1194320887 /nfs/dbraw/zinc/32/08/87/1194320887.db2.gz RDPJGAOHNZCEHZ-AWEZNQCLSA-N 0 3 376.457 0.611 20 0 GCADHN CCNC(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000421292761 1194323687 /nfs/dbraw/zinc/32/36/87/1194323687.db2.gz BQZGRGXJGFCDKZ-HNNXBMFYSA-N 0 3 376.457 0.693 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000421296772 1194324388 /nfs/dbraw/zinc/32/43/88/1194324388.db2.gz KHUGJUMCLHBJJV-HNNXBMFYSA-N 0 3 396.513 0.864 20 0 GCADHN COCC(=O)N1CCc2cc(NC(=O)C(=O)N(C)C[C@H]3CCCN3C)ccc21 ZINC000421300203 1194325853 /nfs/dbraw/zinc/32/58/53/1194325853.db2.gz OODYYSMCEVHYGI-MRXNPFEDSA-N 0 3 388.468 0.713 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c(OCC(=O)N(C)C)c1 ZINC000421299018 1194325863 /nfs/dbraw/zinc/32/58/63/1194325863.db2.gz NBWWSZZQIIDKOW-HNNXBMFYSA-N 0 3 390.484 0.953 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000421405330 1194336323 /nfs/dbraw/zinc/33/63/23/1194336323.db2.gz ICHLXYFPCBWLSE-IBGZPJMESA-N 0 3 388.512 0.688 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000421427289 1194336352 /nfs/dbraw/zinc/33/63/52/1194336352.db2.gz HEMJFDTXTXSVHK-GOSISDBHSA-N 0 3 386.496 0.978 20 0 GCADHN CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421407403 1194336680 /nfs/dbraw/zinc/33/66/80/1194336680.db2.gz LSGGCUCMJILDJU-INIZCTEOSA-N 0 3 390.484 0.322 20 0 GCADHN C[C@H]1[C@@H](NC(=O)NCC2CN(S(C)(=O)=O)C2)CCN1Cc1ccccc1 ZINC000502672987 1194345054 /nfs/dbraw/zinc/34/50/54/1194345054.db2.gz YDVZHXWHSWXOMA-YOEHRIQHSA-N 0 3 380.514 0.840 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2c(OC)ncnc2N(C)C)CC1 ZINC000513752518 1194347364 /nfs/dbraw/zinc/34/73/64/1194347364.db2.gz URFUIDDVNOYAJQ-AWEZNQCLSA-N 0 3 379.509 0.946 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000421557087 1194348164 /nfs/dbraw/zinc/34/81/64/1194348164.db2.gz MNXYIYKRLQPQKH-SJORKVTESA-N 0 3 378.517 0.981 20 0 GCADHN C[C@@H](CN(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1)C(=O)OC(C)(C)C ZINC000421726862 1194360513 /nfs/dbraw/zinc/36/05/13/1194360513.db2.gz SJWMVPDGWWGRID-SCLBCKFNSA-N 0 3 387.546 0.976 20 0 GCADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000502842143 1194361594 /nfs/dbraw/zinc/36/15/94/1194361594.db2.gz QAOSBKGEJLYSBD-GXTWGEPZSA-N 0 3 375.408 0.553 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000502926983 1194368042 /nfs/dbraw/zinc/36/80/42/1194368042.db2.gz VHXSJBLWKYYJLB-GOEBONIOSA-N 0 3 385.534 0.809 20 0 GCADHN COCCN(C)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(F)cc2F)C1=O ZINC000502954444 1194370144 /nfs/dbraw/zinc/37/01/44/1194370144.db2.gz ZBOHQKQQYFYPQL-AWEZNQCLSA-N 0 3 398.410 0.864 20 0 GCADHN C[C@H]1CCN(C)CCN1C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000503029310 1194375836 /nfs/dbraw/zinc/37/58/36/1194375836.db2.gz SEYUQJVVAOHLLU-HNNXBMFYSA-N 0 3 398.529 0.535 20 0 GCADHN COC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)nc2C1 ZINC000421967675 1194376370 /nfs/dbraw/zinc/37/63/70/1194376370.db2.gz OZSAOEVCHOTVQU-VXGBXAGGSA-N 0 3 394.497 0.770 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000430052028 1194380498 /nfs/dbraw/zinc/38/04/98/1194380498.db2.gz HPOYKDGAVUBEEH-KRWDZBQOSA-N 0 3 397.564 0.539 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)[C@](C)(OC)C2CC2)CC1 ZINC000422083796 1194382090 /nfs/dbraw/zinc/38/20/90/1194382090.db2.gz JHHGPBYOKRCEHV-QINHECLXSA-N 0 3 382.549 0.696 20 0 GCADHN NS(=O)(=O)NC[C@H]1CCCN(CCC(=O)N2CCOc3ccccc32)C1 ZINC000503094151 1194382614 /nfs/dbraw/zinc/38/26/14/1194382614.db2.gz GXJOXQMJJWAIPM-CQSZACIVSA-N 0 3 382.486 0.307 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@H](CO)OC(C)(C)C2)o1 ZINC000422096182 1194383646 /nfs/dbraw/zinc/38/36/46/1194383646.db2.gz HYMRALRPIRBACK-MRXNPFEDSA-N 0 3 381.473 0.477 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2C[C@@H](CO)OC(C)(C)C2)o1 ZINC000422096174 1194383790 /nfs/dbraw/zinc/38/37/90/1194383790.db2.gz HYMRALRPIRBACK-INIZCTEOSA-N 0 3 381.473 0.477 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)cs1 ZINC000422096629 1194383822 /nfs/dbraw/zinc/38/38/22/1194383822.db2.gz IGMHWWKIXNICCO-MRXNPFEDSA-N 0 3 379.530 0.648 20 0 GCADHN CCOc1cccc(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)n1 ZINC000422102418 1194385371 /nfs/dbraw/zinc/38/53/71/1194385371.db2.gz MXUMHKOWKINOQG-INIZCTEOSA-N 0 3 389.500 0.682 20 0 GCADHN CC(=O)N[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000422105953 1194387016 /nfs/dbraw/zinc/38/70/16/1194387016.db2.gz QXISMDGCGCBYRD-INIZCTEOSA-N 0 3 378.448 0.453 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000422089913 1194388624 /nfs/dbraw/zinc/38/86/24/1194388624.db2.gz AMDWUJDJPXHSIF-OAHLLOKOSA-N 0 3 378.498 0.585 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC2(COC)CCCC2)CC1 ZINC000422091058 1194388886 /nfs/dbraw/zinc/38/88/86/1194388886.db2.gz WCYGNIBAWXMOLS-QGZVFWFLSA-N 0 3 382.549 0.699 20 0 GCADHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000422095242 1194389818 /nfs/dbraw/zinc/38/98/18/1194389818.db2.gz GTRLJJFIHNXEDH-QGZVFWFLSA-N 0 3 378.448 0.453 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000422111513 1194392529 /nfs/dbraw/zinc/39/25/29/1194392529.db2.gz DFRDZFKHSUPGAS-WMZOPIPTSA-N 0 3 375.469 0.845 20 0 GCADHN COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000422112488 1194392751 /nfs/dbraw/zinc/39/27/51/1194392751.db2.gz FBSWNBYIQJNENP-INIZCTEOSA-N 0 3 393.484 0.577 20 0 GCADHN CCc1nsc(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)n1 ZINC000422113922 1194393092 /nfs/dbraw/zinc/39/30/92/1194393092.db2.gz IEOXVDRTJVGGMQ-ZDUSSCGKSA-N 0 3 380.518 0.302 20 0 GCADHN CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422140087 1194398424 /nfs/dbraw/zinc/39/84/24/1194398424.db2.gz OBLWTNHXYPOFGX-MSOLQXFVSA-N 0 3 377.485 0.575 20 0 GCADHN C[C@@H](NCCN1C(=O)NC(C)(C)C1=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271852405 1194417690 /nfs/dbraw/zinc/41/76/90/1194417690.db2.gz RPZBWELSVSCTSQ-GFCCVEGCSA-N 0 3 382.486 0.918 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C[C@@H]1N(C)C ZINC000271850479 1194417903 /nfs/dbraw/zinc/41/79/03/1194417903.db2.gz VZUTXDVQLVDGHK-LSDHHAIUSA-N 0 3 376.482 0.856 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccnc2Cl)CC1 ZINC000271886767 1194421405 /nfs/dbraw/zinc/42/14/05/1194421405.db2.gz UUEFWEGXYKZLLO-CYBMUJFWSA-N 0 3 379.848 0.439 20 0 GCADHN CC1CCN([C@H](CNC(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)c2ccccc2)CC1 ZINC000422193523 1194423522 /nfs/dbraw/zinc/42/35/22/1194423522.db2.gz XCHXBNMWRPYVNE-OTWHNJEPSA-N 0 3 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1194466362 /nfs/dbraw/zinc/46/63/62/1194466362.db2.gz CISHARHMZMMRCS-YNEHKIRRSA-N 0 3 382.486 0.521 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000272498149 1194466699 /nfs/dbraw/zinc/46/66/99/1194466699.db2.gz ILLXJNXOGDOAOM-HFTRVMKXSA-N 0 3 397.541 0.864 20 0 GCADHN COc1ccc(C(=O)NCCNC(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000272504962 1194467576 /nfs/dbraw/zinc/46/75/76/1194467576.db2.gz WIKPJZPMGWQAQV-UHFFFAOYSA-N 0 3 391.516 0.704 20 0 GCADHN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)[C@H](C)CN1 ZINC000272522390 1194468645 /nfs/dbraw/zinc/46/86/45/1194468645.db2.gz HNYNJLHNWNJYPK-FMKPAKJESA-N 0 3 381.498 0.966 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@H](C)O)cc1 ZINC000272533993 1194470308 /nfs/dbraw/zinc/47/03/08/1194470308.db2.gz XDGDFTYVGLBMRF-AFIMGQEJSA-N 0 3 395.525 0.764 20 0 GCADHN C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H](C)CN1 ZINC000272551762 1194472581 /nfs/dbraw/zinc/47/25/81/1194472581.db2.gz 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CCN1CCN(CCCNC(=O)C(=O)Nc2cc(F)ccc2C(=O)OC)CC1 ZINC000272698765 1194488443 /nfs/dbraw/zinc/48/84/43/1194488443.db2.gz RLTVOUDQDUSCJC-UHFFFAOYSA-N 0 3 394.447 0.695 20 0 GCADHN Cc1cc(NC(=O)CN2CCN(C(=O)N[C@@H](C)C3=CCN(C)CC3)CC2)no1 ZINC000272742892 1194495226 /nfs/dbraw/zinc/49/52/26/1194495226.db2.gz CYYGFRTXTYOXBS-HNNXBMFYSA-N 0 3 390.488 0.899 20 0 GCADHN Cc1cc2c(cc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)OCO2 ZINC000272793559 1194502302 /nfs/dbraw/zinc/50/23/02/1194502302.db2.gz COFNCVRXWCUPNU-CYBMUJFWSA-N 0 3 376.457 0.662 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC000272801172 1194502999 /nfs/dbraw/zinc/50/29/99/1194502999.db2.gz RHBRYAFOGRESCE-GOSISDBHSA-N 0 3 389.500 0.090 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CSc1nnc2ccccn21 ZINC000272845434 1194510065 /nfs/dbraw/zinc/51/00/65/1194510065.db2.gz PKMAOOJSDYJILR-AWEZNQCLSA-N 0 3 390.513 0.880 20 0 GCADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000272878884 1194514179 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GCADHN CC(C)(CC(N)=O)NCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000273253001 1194549644 /nfs/dbraw/zinc/54/96/44/1194549644.db2.gz AKVGILRMJMQCDB-LJQANCHMSA-N 0 3 389.456 0.205 20 0 GCADHN COC[C@@H](NCC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)C1CC1 ZINC000273437483 1194563919 /nfs/dbraw/zinc/56/39/19/1194563919.db2.gz VMBPFLNGYGZZEJ-DNVCBOLYSA-N 0 3 390.440 0.508 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000273559708 1194572599 /nfs/dbraw/zinc/57/25/99/1194572599.db2.gz NBCGSDCMOGPVHB-IRXDYDNUSA-N 0 3 375.473 0.593 20 0 GCADHN CN(C)c1ncncc1NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000273717264 1194585278 /nfs/dbraw/zinc/58/52/78/1194585278.db2.gz NUBWVGWWOVNWPD-UHFFFAOYSA-N 0 3 382.468 0.697 20 0 GCADHN CCCN1C[C@H](CNC(=O)N2CCN(C(=O)CN(CC)CC)CC2)CC1=O ZINC000422221418 1194592441 /nfs/dbraw/zinc/59/24/41/1194592441.db2.gz YUMGKXBLTFWRDV-INIZCTEOSA-N 0 3 381.521 0.441 20 0 GCADHN O=C(CC1CCCC1)NCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503209906 1194592634 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ZINC000422320626 1194612963 /nfs/dbraw/zinc/61/29/63/1194612963.db2.gz VWTKUMOFAUWZDO-JXFKEZNVSA-N 0 3 377.485 0.481 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000503275955 1194613457 /nfs/dbraw/zinc/61/34/57/1194613457.db2.gz OWDCBQAANLGIQX-OAHLLOKOSA-N 0 3 396.513 0.914 20 0 GCADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)C2)c1 ZINC000664311123 1194618987 /nfs/dbraw/zinc/61/89/87/1194618987.db2.gz GRYOJAHCXAIHSJ-BVGQSLNGSA-N 0 3 378.473 0.599 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000422336652 1194619710 /nfs/dbraw/zinc/61/97/10/1194619710.db2.gz HNBBCUVHQIOSNN-GOEBONIOSA-N 0 3 385.472 0.781 20 0 GCADHN COC[C@]1(CO)CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000422359834 1194627636 /nfs/dbraw/zinc/62/76/36/1194627636.db2.gz YLTWNGUMJOXBOB-HXUWFJFHSA-N 0 3 389.496 0.059 20 0 GCADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000422403413 1194628574 /nfs/dbraw/zinc/62/85/74/1194628574.db2.gz VKUYMSRPIMKZRU-WDSOQIARSA-N 0 3 391.512 0.867 20 0 GCADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000422380134 1194629925 /nfs/dbraw/zinc/62/99/25/1194629925.db2.gz AXSZDBJWLRLACR-GDBMZVCRSA-N 0 3 383.514 0.949 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000422390686 1194632975 /nfs/dbraw/zinc/63/29/75/1194632975.db2.gz RPUYGVMHKFOBMM-GOEBONIOSA-N 0 3 390.459 0.990 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1)CCC2 ZINC000422428204 1194641090 /nfs/dbraw/zinc/64/10/90/1194641090.db2.gz PUCDRFFUWYVYLP-DLBZAZTESA-N 0 3 391.516 0.964 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000422443282 1194642031 /nfs/dbraw/zinc/64/20/31/1194642031.db2.gz XEMDXUXESGENET-OAHLLOKOSA-N 0 3 392.525 0.956 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCc1ccccc1S(C)(=O)=O ZINC000422436562 1194644704 /nfs/dbraw/zinc/64/47/04/1194644704.db2.gz WFAZPKWPWGEWQY-MRXNPFEDSA-N 0 3 395.525 0.943 20 0 GCADHN CO[C@](C)([C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000422515303 1194658378 /nfs/dbraw/zinc/65/83/78/1194658378.db2.gz BELAIJSDYSMALR-MGPUTAFESA-N 0 3 394.516 0.073 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422517068 1194659195 /nfs/dbraw/zinc/65/91/95/1194659195.db2.gz JACMFXBIVRLTEZ-INIZCTEOSA-N 0 3 394.447 0.132 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422523141 1194660945 /nfs/dbraw/zinc/66/09/45/1194660945.db2.gz YBMKMEGCLVBPKS-HZPDHXFCSA-N 0 3 376.432 0.648 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1(O)CCOCC1 ZINC000422580340 1194671515 /nfs/dbraw/zinc/67/15/15/1194671515.db2.gz KMLQRXXQCPHDCP-INIZCTEOSA-N 0 3 381.517 0.757 20 0 GCADHN NCC(=O)N1CCC[C@H](CN2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000414679217 1194682585 /nfs/dbraw/zinc/68/25/85/1194682585.db2.gz RJLDAWAUNHJWEI-MRXNPFEDSA-N 0 3 392.475 0.546 20 0 GCADHN CCOC(=O)[C@@H]1NCC[C@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000422708655 1194690621 /nfs/dbraw/zinc/69/06/21/1194690621.db2.gz CEFSQPUYZIUNEE-QZTJIDSGSA-N 0 3 380.533 0.594 20 0 GCADHN C[C@@H](NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cnccc1N ZINC000422712457 1194691468 /nfs/dbraw/zinc/69/14/68/1194691468.db2.gz OFVJGSPSRFRVGQ-OAHLLOKOSA-N 0 3 390.513 0.692 20 0 GCADHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CC[C@](C)([NH2+]CC(=O)[O-])C1 ZINC000422784324 1194698264 /nfs/dbraw/zinc/69/82/64/1194698264.db2.gz OAMBZFPFKSLXTE-FQEVSTJZSA-N 0 3 396.532 0.622 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1F ZINC000503614919 1194700021 /nfs/dbraw/zinc/70/00/21/1194700021.db2.gz YRIOSNYVQSNHJN-UHFFFAOYSA-N 0 3 392.431 0.539 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(CNC(C)=O)cc2)CC1 ZINC000503621506 1194700857 /nfs/dbraw/zinc/70/08/57/1194700857.db2.gz WOIMHZHOKREVCA-OAHLLOKOSA-N 0 3 389.500 0.403 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(CNC(C)=O)cc2)CC1 ZINC000503636557 1194704239 /nfs/dbraw/zinc/70/42/39/1194704239.db2.gz VTRPFAFKAAMJQX-UHFFFAOYSA-N 0 3 389.500 0.405 20 0 GCADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422844386 1194704249 /nfs/dbraw/zinc/70/42/49/1194704249.db2.gz LPKAFRJODIFSSS-MAUKXSAKSA-N 0 3 375.473 0.004 20 0 GCADHN CCCN(C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)[C@H]1CCS(=O)(=O)C1 ZINC000423003286 1194716493 /nfs/dbraw/zinc/71/64/93/1194716493.db2.gz LMNXZLGQLJLFJC-YESZJQIVSA-N 0 3 393.509 0.365 20 0 GCADHN COc1ccc(CN2CCCN(C(=O)C(=O)N3C[C@@H](C)N[C@@H](C)C3)CC2)cc1 ZINC000423046934 1194718867 /nfs/dbraw/zinc/71/88/67/1194718867.db2.gz GIQNIMKMONKQBN-CALCHBBNSA-N 0 3 388.512 0.938 20 0 GCADHN COCc1ncc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(N)n1 ZINC000503829529 1194723003 /nfs/dbraw/zinc/72/30/03/1194723003.db2.gz OSFPRVRITCGJRP-DOTOQJQBSA-N 0 3 385.468 0.818 20 0 GCADHN C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000423125048 1194729124 /nfs/dbraw/zinc/72/91/24/1194729124.db2.gz HHAMNGHHQNVETH-CQSZACIVSA-N 0 3 388.468 0.262 20 0 GCADHN CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000423124178 1194729368 /nfs/dbraw/zinc/72/93/68/1194729368.db2.gz GBHOPZNXPMSOAF-UHFFFAOYSA-N 0 3 376.457 0.120 20 0 GCADHN CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000423128185 1194729689 /nfs/dbraw/zinc/72/96/89/1194729689.db2.gz KPDMSEIVSCLXAO-KRWDZBQOSA-N 0 3 390.484 0.508 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000664338433 1194732236 /nfs/dbraw/zinc/73/22/36/1194732236.db2.gz CDDTXPBMGLBGMQ-UHFFFAOYSA-N 0 3 376.461 0.403 20 0 GCADHN C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000423138838 1194732830 /nfs/dbraw/zinc/73/28/30/1194732830.db2.gz YGIBIRSHNQRXFW-HNNXBMFYSA-N 0 3 388.468 0.135 20 0 GCADHN COc1ccc2c(c1)CN(C(=O)C(=O)N1CCC[C@@H](n3cc(CN)nn3)C1)CC2 ZINC000423193326 1194738201 /nfs/dbraw/zinc/73/82/01/1194738201.db2.gz XCYUVBGQFXFLGX-QGZVFWFLSA-N 0 3 398.467 0.494 20 0 GCADHN CCN(CCCNC(=O)C(=O)NCC(C)(C)N1CCCCC1)S(C)(=O)=O ZINC000549964855 1194741667 /nfs/dbraw/zinc/74/16/67/1194741667.db2.gz QTGMSDHWORHLTN-UHFFFAOYSA-N 0 3 390.550 0.155 20 0 GCADHN CN(CCN(C)c1ccccc1)C(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423281248 1194744769 /nfs/dbraw/zinc/74/47/69/1194744769.db2.gz BARLTYUGSOBLSU-GOSISDBHSA-N 0 3 399.499 0.495 20 0 GCADHN CC[C@H](C(=O)OC)N1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000504026955 1194744864 /nfs/dbraw/zinc/74/48/64/1194744864.db2.gz QRIJCFMJLNVHCM-MRXNPFEDSA-N 0 3 383.537 0.291 20 0 GCADHN COC(=O)CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504048667 1194747441 /nfs/dbraw/zinc/74/74/41/1194747441.db2.gz MGEJRAIAIWJKSN-UHFFFAOYSA-N 0 3 376.457 0.835 20 0 GCADHN CC(C)C[C@H]1COCCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423302992 1194748531 /nfs/dbraw/zinc/74/85/31/1194748531.db2.gz IHYMVJNUTNIAIN-HOTGVXAUSA-N 0 3 378.477 0.174 20 0 GCADHN CCN(C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1)[C@H](C)CS(C)(=O)=O ZINC000423304908 1194748555 /nfs/dbraw/zinc/74/85/55/1194748555.db2.gz PUDIQJSIGXMMKD-IVMMDQJWSA-N 0 3 399.488 0.360 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc2c1ccn(C)c2=O)CN1CCN(C)CC1 ZINC000504060284 1194749871 /nfs/dbraw/zinc/74/98/71/1194749871.db2.gz WZTPPFVNAXGWDU-HNNXBMFYSA-N 0 3 399.495 0.477 20 0 GCADHN C[C@H]1Cc2ccccc2CN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423379088 1194752176 /nfs/dbraw/zinc/75/21/76/1194752176.db2.gz CSWWHBWMWBPWPW-KSSFIOAISA-N 0 3 382.468 0.874 20 0 GCADHN CNC(=O)CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504100373 1194753407 /nfs/dbraw/zinc/75/34/07/1194753407.db2.gz MCZPNKYHMOEXGX-UHFFFAOYSA-N 0 3 375.473 0.408 20 0 GCADHN CCCCCOC1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000423442660 1194755435 /nfs/dbraw/zinc/75/54/35/1194755435.db2.gz ZJCDNRKQUDECAW-OAHLLOKOSA-N 0 3 378.477 0.318 20 0 GCADHN Cc1cccc(C(=O)NCCNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)c1 ZINC000414740515 1194755451 /nfs/dbraw/zinc/75/54/51/1194755451.db2.gz GODWGALUYYXLRT-UHFFFAOYSA-N 0 3 396.447 0.962 20 0 GCADHN NCC(=O)N1CCC[C@@H](CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000414743922 1194756400 /nfs/dbraw/zinc/75/64/00/1194756400.db2.gz VRELUVLXZBLJLS-HNNXBMFYSA-N 0 3 398.504 0.329 20 0 GCADHN CC1(C)CN(C(=O)C(=O)N2CCC(CCCN3CCOCC3)CC2)CCN1 ZINC000423433909 1194756902 /nfs/dbraw/zinc/75/69/02/1194756902.db2.gz CLRXWTQUWMVPRM-UHFFFAOYSA-N 0 3 380.533 0.548 20 0 GCADHN NCC(=O)N1CCC[C@@H](CN2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC000414746634 1194758683 /nfs/dbraw/zinc/75/86/83/1194758683.db2.gz LVPNOQFZBKADES-AWEZNQCLSA-N 0 3 380.439 0.920 20 0 GCADHN C[C@H]1COc2ccccc2CN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423558252 1194763772 /nfs/dbraw/zinc/76/37/72/1194763772.db2.gz CRRYKONORTXRHL-YOEHRIQHSA-N 0 3 398.467 0.710 20 0 GCADHN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)C(=O)N2CCCNCC2)C1 ZINC000423601608 1194775513 /nfs/dbraw/zinc/77/55/13/1194775513.db2.gz CCYQWEQUFLNKJG-HNNXBMFYSA-N 0 3 377.420 0.370 20 0 GCADHN O=C(Nc1ccc2c(c1)CNCCO2)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000414753702 1194776864 /nfs/dbraw/zinc/77/68/64/1194776864.db2.gz QSYDTDFFWDQLAD-UHFFFAOYSA-N 0 3 386.374 0.814 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCOC2)cc1)[C@H]1CCCN(C)C1 ZINC000504326335 1194784447 /nfs/dbraw/zinc/78/44/47/1194784447.db2.gz WAZCVFKBLIOLLM-IRXDYDNUSA-N 0 3 388.468 0.696 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCNC(C)(C)C2)cc1 ZINC000423707721 1194787085 /nfs/dbraw/zinc/78/70/85/1194787085.db2.gz LHJPEBAKPOGHPV-GFCCVEGCSA-N 0 3 382.486 0.522 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCNC(C)(C)C2)cc1 ZINC000423707724 1194787137 /nfs/dbraw/zinc/78/71/37/1194787137.db2.gz LHJPEBAKPOGHPV-LBPRGKRZSA-N 0 3 382.486 0.522 20 0 GCADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)[C@@H]1C[NH3+] ZINC000423726175 1194789343 /nfs/dbraw/zinc/78/93/43/1194789343.db2.gz IKIAKKRYJDAVQD-GDBMZVCRSA-N 0 3 388.468 0.262 20 0 GCADHN CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000423733631 1194792146 /nfs/dbraw/zinc/79/21/46/1194792146.db2.gz CDECTYOGHNMCES-OAHLLOKOSA-N 0 3 375.473 0.339 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CN1C1CC1 ZINC000664368263 1194794272 /nfs/dbraw/zinc/79/42/72/1194794272.db2.gz QBNXKRITHARWNY-STQMWFEESA-N 0 3 382.490 0.051 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H]1c1nncn1C ZINC000504446862 1194794698 /nfs/dbraw/zinc/79/46/98/1194794698.db2.gz UTAGNWZAOZYREH-HUUCEWRRSA-N 0 3 377.493 0.604 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC000664368420 1194795542 /nfs/dbraw/zinc/79/55/42/1194795542.db2.gz JJNVRDCMOGZOGK-UHFFFAOYSA-N 0 3 390.444 0.227 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CNCCO2)ccc1OC ZINC000423992206 1194797478 /nfs/dbraw/zinc/79/74/78/1194797478.db2.gz NXOYJFQXPAUIAM-AWEZNQCLSA-N 0 3 385.486 0.444 20 0 GCADHN CCCCC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000423993598 1194797747 /nfs/dbraw/zinc/79/77/47/1194797747.db2.gz BAEKURDNUHNLHZ-CABCVRRESA-N 0 3 380.518 0.992 20 0 GCADHN CSCC[C@H](C(=O)NC[C@@H]1CNCCO1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000423985463 1194798273 /nfs/dbraw/zinc/79/82/73/1194798273.db2.gz DMRDUDBGYYBZFS-GBJTYRQASA-N 0 3 383.514 0.388 20 0 GCADHN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)NC[C@H]2CNCCO2)C1 ZINC000423984786 1194798410 /nfs/dbraw/zinc/79/84/10/1194798410.db2.gz CENWLCTZTNAECJ-SJLPKXTDSA-N 0 3 375.469 0.799 20 0 GCADHN O=C(CNC1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1)NC[C@@H]1CCOC1 ZINC001482232415 1194798578 /nfs/dbraw/zinc/79/85/78/1194798578.db2.gz XDWORDRQGOKDGD-HZMVEIRTSA-N 0 3 379.501 0.725 20 0 GCADHN COc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H]2CNCCO2)C(C)C)cc1 ZINC000423997650 1194798730 /nfs/dbraw/zinc/79/87/30/1194798730.db2.gz YSWVVEGFXQZFGF-ZBFHGGJFSA-N 0 3 385.486 0.103 20 0 GCADHN O=C(CNC1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCC1)NC1CCOCC1 ZINC001482232256 1194799302 /nfs/dbraw/zinc/79/93/02/1194799302.db2.gz VIQALDIWZUJBAD-ZACQAIPSSA-N 0 3 379.501 0.868 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCC(=O)N(C)C)c2)CC1 ZINC000504590551 1194800211 /nfs/dbraw/zinc/80/02/11/1194800211.db2.gz COTBNAWYQQDRDP-UHFFFAOYSA-N 0 3 375.473 0.360 20 0 GCADHN CCOC(=O)CSc1nnc([N-]C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)s1 ZINC000424075023 1194800905 /nfs/dbraw/zinc/80/09/05/1194800905.db2.gz IIOQLQVOVJMRGX-VIFPVBQESA-N 0 3 397.486 0.962 20 0 GCADHN O=C(CNC(=O)C(=O)Nc1ccc2c(c1)CNCCO2)NCCc1ccccc1 ZINC000414774062 1194802406 /nfs/dbraw/zinc/80/24/06/1194802406.db2.gz XYIYLNMYDNPKQO-UHFFFAOYSA-N 0 3 396.447 0.582 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)NCCCS(=O)(=O)c3ccccc3)C[C@H]2N)cn1 ZINC000424451609 1194814833 /nfs/dbraw/zinc/81/48/33/1194814833.db2.gz FCNLMHSVKXVKFM-DLBZAZTESA-N 0 3 391.497 0.720 20 0 GCADHN CN1CC[C@@H](CNC(=O)C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1=O ZINC000424536850 1194820010 /nfs/dbraw/zinc/82/00/10/1194820010.db2.gz BQPYUWZOROCAMX-KDOFPFPSSA-N 0 3 382.464 0.940 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCN3)CC1 ZINC000414805210 1194827957 /nfs/dbraw/zinc/82/79/57/1194827957.db2.gz OGQBUPMZEGVTRT-UHFFFAOYSA-N 0 3 399.495 0.750 20 0 GCADHN COc1ccn2c(c1)ncc2C(=O)NCCCCN1CCN(CCO)CC1 ZINC000424736796 1194829040 /nfs/dbraw/zinc/82/90/40/1194829040.db2.gz KTXOZORHGILJKJ-UHFFFAOYSA-N 0 3 375.473 0.463 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000664406343 1194832274 /nfs/dbraw/zinc/83/22/74/1194832274.db2.gz SBDPLKWEZMFGKC-WBVHZDCISA-N 0 3 395.529 0.441 20 0 GCADHN CCCN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000469228914 1194833331 /nfs/dbraw/zinc/83/33/31/1194833331.db2.gz RYBZQNVJOKONKC-CQSZACIVSA-N 0 3 396.513 0.487 20 0 GCADHN CN(C)C(=O)C1(CNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CCCC1 ZINC000414832299 1194835830 /nfs/dbraw/zinc/83/58/30/1194835830.db2.gz OLXCAWPNUBSFBY-UHFFFAOYSA-N 0 3 388.468 0.872 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nnnn2C2CC2)CC1 ZINC000505362001 1194835882 /nfs/dbraw/zinc/83/58/82/1194835882.db2.gz JROHVUMJMQUYTK-CYBMUJFWSA-N 0 3 395.533 0.501 20 0 GCADHN COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425071659 1194841205 /nfs/dbraw/zinc/84/12/05/1194841205.db2.gz ZNGCXLASTJPLTF-NWDGAFQWSA-N 0 3 383.470 0.517 20 0 GCADHN C[C@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000366585891 1194848659 /nfs/dbraw/zinc/84/86/59/1194848659.db2.gz OCECTMFIUAMBLE-XBVQOTNRSA-N 0 3 377.485 0.920 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000434522170 1194849183 /nfs/dbraw/zinc/84/91/83/1194849183.db2.gz JDNKYKNQRRKUOK-UHFFFAOYSA-N 0 3 385.490 0.302 20 0 GCADHN COc1ccc(COC[C@@H](O)CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)cc1 ZINC000434714996 1194861900 /nfs/dbraw/zinc/86/19/00/1194861900.db2.gz VCENBIQBFWGANL-AZUAARDMSA-N 0 3 392.496 0.924 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000434712324 1194861987 /nfs/dbraw/zinc/86/19/87/1194861987.db2.gz UYHOGBJOJQQINP-CABCVRRESA-N 0 3 381.498 0.838 20 0 GCADHN CCn1nccc1NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000509980729 1194863434 /nfs/dbraw/zinc/86/34/34/1194863434.db2.gz CJSJKXUOSCJXIH-UHFFFAOYSA-N 0 3 386.412 0.950 20 0 GCADHN CC[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000664442137 1194865549 /nfs/dbraw/zinc/86/55/49/1194865549.db2.gz RJGYIOOEYJJIBB-FYQPLNBISA-N 0 3 390.528 0.982 20 0 GCADHN COC[C@H](NCC(=O)NCc1ccccc1CN1CCOCC1)[C@@H]1CCCO1 ZINC000434790396 1194870004 /nfs/dbraw/zinc/87/00/04/1194870004.db2.gz UIFXYCWQZMVYNW-PMACEKPBSA-N 0 3 391.512 0.919 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)N(C)C)cc1 ZINC000281820968 1194872647 /nfs/dbraw/zinc/87/26/47/1194872647.db2.gz GRDWJRHAZHDHDG-QGZVFWFLSA-N 0 3 397.545 0.213 20 0 GCADHN CC(C)CN(C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCN(C)CC1 ZINC000434914054 1194877511 /nfs/dbraw/zinc/87/75/11/1194877511.db2.gz OWCWJOVHSCGNSL-UHFFFAOYSA-N 0 3 396.513 0.851 20 0 GCADHN C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CCN1Cc1ccccc1 ZINC000366610902 1194879638 /nfs/dbraw/zinc/87/96/38/1194879638.db2.gz YGMJQSHOIUUNPD-RHSMWYFYSA-N 0 3 391.497 0.478 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000435010407 1194883104 /nfs/dbraw/zinc/88/31/04/1194883104.db2.gz YPDJXOHIWGNBTA-UHFFFAOYSA-N 0 3 398.529 0.750 20 0 GCADHN CSCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CN(CCn3ccnc3)C[C@H]21 ZINC001269896430 1194885938 /nfs/dbraw/zinc/88/59/38/1194885938.db2.gz HBCFIKMWVQXLMF-YESZJQIVSA-N 0 3 379.530 0.674 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000514616407 1194888221 /nfs/dbraw/zinc/88/82/21/1194888221.db2.gz OSJIDARKVKWQRO-ONGXEEELSA-N 0 3 386.330 0.136 20 0 GCADHN CCOC(=O)CNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000435188329 1194896654 /nfs/dbraw/zinc/89/66/54/1194896654.db2.gz NHROCOGOWSBFQH-DZGCQCFKSA-N 0 3 380.489 0.713 20 0 GCADHN COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCCNCC2)c1 ZINC000366624870 1194896764 /nfs/dbraw/zinc/89/67/64/1194896764.db2.gz AKVGVRGECYCNNF-AATRIKPKSA-N 0 3 384.454 0.874 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2OCCc3ccccc32)CC1=O ZINC000425306964 1194904185 /nfs/dbraw/zinc/90/41/85/1194904185.db2.gz AREOTAZTKZIPKE-APWZRJJASA-N 0 3 375.469 0.596 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(-c3ccccn3)no2)CC1=O ZINC000425313757 1194906800 /nfs/dbraw/zinc/90/68/00/1194906800.db2.gz IVLZCEIZIXOHHK-AWEZNQCLSA-N 0 3 387.440 0.646 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc3c(c2)OC(F)(F)O3)CC1=O ZINC000425309783 1194907837 /nfs/dbraw/zinc/90/78/37/1194907837.db2.gz DLWVNGZJVAORAV-ZDUSSCGKSA-N 0 3 399.394 0.917 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCc3ccccc3O2)CC1=O ZINC000425314919 1194908434 /nfs/dbraw/zinc/90/84/34/1194908434.db2.gz JSSNMFHRRCJXCU-SJLPKXTDSA-N 0 3 375.469 0.676 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)[C@@H]2C1 ZINC000514788155 1194908848 /nfs/dbraw/zinc/90/88/48/1194908848.db2.gz KDKAJUMNHORTBB-FUHWJXTLSA-N 0 3 393.509 0.874 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC1=O ZINC000425318728 1194909476 /nfs/dbraw/zinc/90/94/76/1194909476.db2.gz OYXYMDUUASPABT-INIZCTEOSA-N 0 3 385.468 0.986 20 0 GCADHN COCC1(C)CN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000435269395 1194909633 /nfs/dbraw/zinc/90/96/33/1194909633.db2.gz IDEJPWPHFVVSIZ-UHFFFAOYSA-N 0 3 376.457 0.988 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2coc3c2C(=O)CCC3)CC1=O ZINC000425315661 1194911276 /nfs/dbraw/zinc/91/12/76/1194911276.db2.gz KOFORJWOCHVLKE-ZDUSSCGKSA-N 0 3 377.441 0.708 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C)c2ccc3c(c2)OCO3)CC1=O ZINC000425322417 1194913431 /nfs/dbraw/zinc/91/34/31/1194913431.db2.gz TWGIFYHPFNEDPW-GOEBONIOSA-N 0 3 391.468 0.814 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](C)c2ccc3c(c2)OCO3)CC1=O ZINC000425322418 1194913531 /nfs/dbraw/zinc/91/35/31/1194913531.db2.gz TWGIFYHPFNEDPW-HOCLYGCPSA-N 0 3 391.468 0.814 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1=O ZINC000425324303 1194914616 /nfs/dbraw/zinc/91/46/16/1194914616.db2.gz VVKCDBOSQJZXAR-CJNGLKHVSA-N 0 3 379.505 0.815 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccnn2-c2ccccc2)CC1=O ZINC000425327259 1194917096 /nfs/dbraw/zinc/91/70/96/1194917096.db2.gz ZNBFRNNWLVPDJI-MRXNPFEDSA-N 0 3 385.468 0.781 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCN(C)C)C1CC1 ZINC000505668145 1194922015 /nfs/dbraw/zinc/92/20/15/1194922015.db2.gz DRFJIBVOKJKQBN-GFCCVEGCSA-N 0 3 382.486 0.005 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N3CCC[C@H]4CN(C)C[C@H]43)CC2)on1 ZINC000425372510 1194928936 /nfs/dbraw/zinc/92/89/36/1194928936.db2.gz KAZRSTRSSDLITL-DOTOQJQBSA-N 0 3 375.473 0.180 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000514927761 1194930039 /nfs/dbraw/zinc/93/00/39/1194930039.db2.gz MTNCIAQEUAFKOW-GJZGRUSLSA-N 0 3 382.505 0.119 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC(=O)N1C ZINC000425378750 1194931098 /nfs/dbraw/zinc/93/10/98/1194931098.db2.gz CFFUSWDHUHGNFF-RYQLBKOJSA-N 0 3 384.480 0.408 20 0 GCADHN CCN1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1=O ZINC000425380082 1194932322 /nfs/dbraw/zinc/93/23/22/1194932322.db2.gz DUXMFVRNWQVUSB-ZWKOTPCHSA-N 0 3 384.480 0.410 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)CCN2C1=O ZINC000514951562 1194932781 /nfs/dbraw/zinc/93/27/81/1194932781.db2.gz SKQCAWCQRRDMCZ-IAGOWNOFSA-N 0 3 379.420 0.718 20 0 GCADHN COc1ccccc1CN(CCO)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425385297 1194936638 /nfs/dbraw/zinc/93/66/38/1194936638.db2.gz KOKNZHCRVWLGME-DOTOQJQBSA-N 0 3 375.469 0.569 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000425388842 1194939704 /nfs/dbraw/zinc/93/97/04/1194939704.db2.gz PIJVLYAVYKAFLE-HOTGVXAUSA-N 0 3 378.477 0.011 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000425391733 1194940004 /nfs/dbraw/zinc/94/00/04/1194940004.db2.gz SGYLTANIBLTCIZ-KRWDZBQOSA-N 0 3 398.548 0.125 20 0 GCADHN O=C(C(=O)N1CCn2cnnc2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425392571 1194941677 /nfs/dbraw/zinc/94/16/77/1194941677.db2.gz TWWXMGZERVLZTP-DLBZAZTESA-N 0 3 380.452 0.353 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)CCCc3nc(-c4ccc(F)cc4)no3)CCN2C1=O ZINC000515074847 1194943614 /nfs/dbraw/zinc/94/36/14/1194943614.db2.gz ZLYVWBDQMZMFRL-LSDHHAIUSA-N 0 3 387.415 0.969 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)CCCc3nc(-c4ccc(F)cc4)no3)CCN2C1=O ZINC000515074846 1194943769 /nfs/dbraw/zinc/94/37/69/1194943769.db2.gz ZLYVWBDQMZMFRL-HUUCEWRRSA-N 0 3 387.415 0.969 20 0 GCADHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000515069481 1194945018 /nfs/dbraw/zinc/94/50/18/1194945018.db2.gz JBDCHEUNWAUTNL-HOTGVXAUSA-N 0 3 399.488 0.408 20 0 GCADHN CCO[C@@H](CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC000515089034 1194945236 /nfs/dbraw/zinc/94/52/36/1194945236.db2.gz AMRITNQPTRFURE-KRWDZBQOSA-N 0 3 396.532 0.320 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@@H](n3ccnn3)C2)o1 ZINC000425395823 1194945791 /nfs/dbraw/zinc/94/57/91/1194945791.db2.gz YBVVHZARGOZJKU-MRXNPFEDSA-N 0 3 388.472 0.933 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(C(=O)C4CCCCC4)CC3)[C@@H]2C1 ZINC000425396388 1194946700 /nfs/dbraw/zinc/94/67/00/1194946700.db2.gz YVSDHEHBOGZBTQ-ZWKOTPCHSA-N 0 3 390.528 0.790 20 0 GCADHN O=C(C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425398581 1194949428 /nfs/dbraw/zinc/94/94/28/1194949428.db2.gz IPRVUIYBPLLTNV-WJFTUGDTSA-N 0 3 396.491 0.456 20 0 GCADHN C[C@@H](N1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1)C(F)(F)F ZINC000425398541 1194951537 /nfs/dbraw/zinc/95/15/37/1194951537.db2.gz IHXXKWWBEBFMTL-HZSPNIEDSA-N 0 3 376.423 0.634 20 0 GCADHN CC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC12CCCCC2 ZINC000425400924 1194953733 /nfs/dbraw/zinc/95/37/33/1194953733.db2.gz LEEVIJVOROHVEF-ZWKOTPCHSA-N 0 3 390.528 0.933 20 0 GCADHN C[C@H](NCCN1CCCC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000515174659 1194953782 /nfs/dbraw/zinc/95/37/82/1194953782.db2.gz MUUHBFHUWSUGDK-HNNXBMFYSA-N 0 3 381.498 0.981 20 0 GCADHN O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000515326236 1194967289 /nfs/dbraw/zinc/96/72/89/1194967289.db2.gz XRUIVXVUDGUODS-MSOLQXFVSA-N 0 3 399.495 0.386 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3cc(F)c(F)cc3N3CCOCC3)CCN2C1=O ZINC000515356976 1194970392 /nfs/dbraw/zinc/97/03/92/1194970392.db2.gz OMXXKNLWDYYXGJ-RISCZKNCSA-N 0 3 395.410 0.577 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1)N1CCC(C)CC1 ZINC000515390813 1194971012 /nfs/dbraw/zinc/97/10/12/1194971012.db2.gz SNGDVYYRPAOEML-UONOGXRCSA-N 0 3 378.439 0.976 20 0 GCADHN COc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1S(=O)(=O)NC1CCCC1 ZINC000515404135 1194972662 /nfs/dbraw/zinc/97/26/62/1194972662.db2.gz STMPPOIIAJSEDC-HNNXBMFYSA-N 0 3 397.497 0.634 20 0 GCADHN CC(=O)CCc1ccc(OC[C@@H](O)CNC[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000515414147 1194973739 /nfs/dbraw/zinc/97/37/39/1194973739.db2.gz CVVPCTKAKGVKJD-WMZOPIPTSA-N 0 3 385.482 0.351 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NCC(C)(C)N1CCOCC1)Cc1ccccc1 ZINC000515437987 1194975798 /nfs/dbraw/zinc/97/57/98/1194975798.db2.gz VGXWEWSFMSMQBS-SFHVURJKSA-N 0 3 390.528 0.503 20 0 GCADHN COCCN(C)CCNC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C ZINC000425437805 1194978232 /nfs/dbraw/zinc/97/82/32/1194978232.db2.gz BTYSAJPSQZQVGN-MAUKXSAKSA-N 0 3 394.520 0.434 20 0 GCADHN COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000515535349 1194981903 /nfs/dbraw/zinc/98/19/03/1194981903.db2.gz PUUINXOEGSWJMS-HOTGVXAUSA-N 0 3 385.505 0.256 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)CC1 ZINC000285383916 1194982486 /nfs/dbraw/zinc/98/24/86/1194982486.db2.gz HUQUJEGCHSVPAS-AEFFLSMTSA-N 0 3 391.512 0.884 20 0 GCADHN CSCC[C@H](NC(C)=O)C(=O)N1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001270044698 1194982558 /nfs/dbraw/zinc/98/25/58/1194982558.db2.gz DMPLUYAORXDHIY-MAUKXSAKSA-N 0 3 384.546 0.399 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000436124421 1194986446 /nfs/dbraw/zinc/98/64/46/1194986446.db2.gz NRPQUQMQQPDIFT-KRWDZBQOSA-N 0 3 393.532 0.583 20 0 GCADHN CCO[C@@H]1C[C@@](CO)(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC000436131232 1194986755 /nfs/dbraw/zinc/98/67/55/1194986755.db2.gz YMLGCORXFALKBD-QINHECLXSA-N 0 3 398.548 0.794 20 0 GCADHN CCO[C@@H]1C[C@](CO)(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC000436131233 1194986891 /nfs/dbraw/zinc/98/68/91/1194986891.db2.gz YMLGCORXFALKBD-RZQQEMMASA-N 0 3 398.548 0.794 20 0 GCADHN CC(C)(CN1CCOCC1)NCC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000425481661 1194988346 /nfs/dbraw/zinc/98/83/46/1194988346.db2.gz SFGIERXRUREXOO-UHFFFAOYSA-N 0 3 383.514 0.407 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(=O)c3cccs3)CCN2C1=O ZINC000515673034 1194990181 /nfs/dbraw/zinc/99/01/81/1194990181.db2.gz NJYNIQIQLBVYOM-MGPQQGTHSA-N 0 3 376.482 0.513 20 0 GCADHN NC(=O)c1cccc(CCNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000286393361 1195001624 /nfs/dbraw/zinc/00/16/24/1195001624.db2.gz KWGNKPFDIVTADO-SFHVURJKSA-N 0 3 386.496 0.921 20 0 GCADHN COc1cc(OC)c(OC)cc1CNC(=O)CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425540652 1195004966 /nfs/dbraw/zinc/00/49/66/1195004966.db2.gz FDAXBMUJMPXJQH-GFCCVEGCSA-N 0 3 375.429 0.936 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)CN2CC[C@@H](c3nc[nH]n3)C2)ccc1C ZINC000425556019 1195006411 /nfs/dbraw/zinc/00/64/11/1195006411.db2.gz ZFFNOOIBUOWSSF-GFCCVEGCSA-N 0 3 378.458 0.449 20 0 GCADHN CCN(CC(=O)NCc1cccs1)C(=O)CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425553868 1195008292 /nfs/dbraw/zinc/00/82/92/1195008292.db2.gz VCDNWJDXCYMCHB-ZDUSSCGKSA-N 0 3 376.486 0.820 20 0 GCADHN CC(=O)N1CCN(C(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)CC12CCCCC2 ZINC000516008588 1195014946 /nfs/dbraw/zinc/01/49/46/1195014946.db2.gz JTDWSYNFNNPFGE-SJORKVTESA-N 0 3 376.501 0.543 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCC[C@@H]3O)C2)CC1 ZINC000516008597 1195015240 /nfs/dbraw/zinc/01/52/40/1195015240.db2.gz LBGGQMLCNVURDZ-OTWHNJEPSA-N 0 3 394.560 0.623 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)c3nncn3C)cc2)CC1 ZINC000516053480 1195018393 /nfs/dbraw/zinc/01/83/93/1195018393.db2.gz ZHISKWFMPJSQGF-OAHLLOKOSA-N 0 3 399.499 0.769 20 0 GCADHN CC(=O)NCC[C@H]1CCCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000516065780 1195019091 /nfs/dbraw/zinc/01/90/91/1195019091.db2.gz SNIWDFPUHCPTLU-APWZRJJASA-N 0 3 386.496 0.836 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)CC(=O)OC(C)(C)C)C[C@@]2(F)C1=O ZINC001270110047 1195020575 /nfs/dbraw/zinc/02/05/75/1195020575.db2.gz FTKNUZSBIATBAP-IAGOWNOFSA-N 0 3 375.416 0.381 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3O)C2)nn1 ZINC000516180652 1195029957 /nfs/dbraw/zinc/02/99/57/1195029957.db2.gz BELOAGSREMLPBR-NVXWUHKLSA-N 0 3 398.467 0.911 20 0 GCADHN Cc1cc(-c2ncccc2NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cs1 ZINC000516195222 1195031257 /nfs/dbraw/zinc/03/12/57/1195031257.db2.gz POLCGPPFVGHZJJ-ZIAGYGMSSA-N 0 3 399.476 0.827 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000516207651 1195033218 /nfs/dbraw/zinc/03/32/18/1195033218.db2.gz NEAQSTBWMXKUQC-UHFFFAOYSA-N 0 3 395.423 0.433 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000505879529 1195035635 /nfs/dbraw/zinc/03/56/35/1195035635.db2.gz JHDOQKRNSZWTOH-RDBSUJKOSA-N 0 3 397.497 0.724 20 0 GCADHN CN(CCNC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21)Cc1ccc(F)cc1 ZINC000288003413 1195046722 /nfs/dbraw/zinc/04/67/22/1195046722.db2.gz BXGDZRVVPKIHPW-SJLPKXTDSA-N 0 3 376.476 0.926 20 0 GCADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000549985071 1195054535 /nfs/dbraw/zinc/05/45/35/1195054535.db2.gz LJWFVGBAXOIPCB-UHFFFAOYSA-N 0 3 395.548 0.036 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CNS(=O)(=O)c2ccccc2)CC1 ZINC000516472433 1195055526 /nfs/dbraw/zinc/05/55/26/1195055526.db2.gz KNSIETATJULVBM-UHFFFAOYSA-N 0 3 389.481 0.750 20 0 GCADHN COCCN(Cc1ccco1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000288767423 1195073330 /nfs/dbraw/zinc/07/33/30/1195073330.db2.gz CTLKNXFKYHPAHF-UHFFFAOYSA-N 0 3 380.489 0.397 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)N2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000437244809 1195087715 /nfs/dbraw/zinc/08/77/15/1195087715.db2.gz NSIUANRZXJSXHU-YESZJQIVSA-N 0 3 386.562 0.920 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506018435 1195090867 /nfs/dbraw/zinc/09/08/67/1195090867.db2.gz VNPGNTGPEBMPCI-LBPRGKRZSA-N 0 3 388.490 0.185 20 0 GCADHN C[C@H](O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000506017216 1195091192 /nfs/dbraw/zinc/09/11/92/1195091192.db2.gz KGAAHLDFXDJLAF-JKSUJKDBSA-N 0 3 381.498 0.222 20 0 GCADHN C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000437301716 1195092335 /nfs/dbraw/zinc/09/23/35/1195092335.db2.gz HFSZUBXWMMUOTB-OLZOCXBDSA-N 0 3 390.440 0.730 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3nccc(OC)n3)c2)CC1 ZINC000425780770 1195094658 /nfs/dbraw/zinc/09/46/58/1195094658.db2.gz DPNSFCQBYUOSEI-UHFFFAOYSA-N 0 3 398.467 0.882 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4c5c(cccc53)CC4)CCN2C1=O ZINC000516787176 1195095791 /nfs/dbraw/zinc/09/57/91/1195095791.db2.gz PEUFJSHJIZPWJX-HOCLYGCPSA-N 0 3 378.432 0.647 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000516792379 1195097799 /nfs/dbraw/zinc/09/77/99/1195097799.db2.gz IEYIJEPIKSKDFY-CQSZACIVSA-N 0 3 382.472 0.721 20 0 GCADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C[C@@H]1O ZINC000664627023 1195102878 /nfs/dbraw/zinc/10/28/78/1195102878.db2.gz YIZTZILMBQNKDL-PMPSAXMXSA-N 0 3 388.447 0.715 20 0 GCADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCn2cnnc2C1 ZINC000289635593 1195104937 /nfs/dbraw/zinc/10/49/37/1195104937.db2.gz KTKNRRHWXBHPIO-QGZVFWFLSA-N 0 3 384.484 0.893 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]2O)cc1)[C@H]1CCCN(C)C1 ZINC000425801860 1195105485 /nfs/dbraw/zinc/10/54/85/1195105485.db2.gz DJZSTBLTTGMPSX-GVDBMIGSSA-N 0 3 388.468 0.431 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1nc(Cc2ccccc2)no1 ZINC000516879028 1195108352 /nfs/dbraw/zinc/10/83/52/1195108352.db2.gz HFRVTINYPOKLBG-QEJZJMRPSA-N 0 3 384.440 0.675 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)[C@@H]2C1 ZINC000425810875 1195114742 /nfs/dbraw/zinc/11/47/42/1195114742.db2.gz KEHJIGSCRPJGSS-DOTOQJQBSA-N 0 3 398.463 0.827 20 0 GCADHN CO[C@@H]1C[C@@H](NCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C12CCC2 ZINC000516955863 1195117259 /nfs/dbraw/zinc/11/72/59/1195117259.db2.gz HPKULXKRJFFXQA-HZPDHXFCSA-N 0 3 379.482 0.770 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1OC ZINC000425822421 1195122035 /nfs/dbraw/zinc/12/20/35/1195122035.db2.gz TVSIMMKGRQVFSA-SWLSCSKDSA-N 0 3 375.425 0.973 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425819619 1195122354 /nfs/dbraw/zinc/12/23/54/1195122354.db2.gz LFEWWDNIDKJRDW-DZGCQCFKSA-N 0 3 394.497 0.428 20 0 GCADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425823310 1195123509 /nfs/dbraw/zinc/12/35/09/1195123509.db2.gz VYFWUCYWDXBEGF-GOEBONIOSA-N 0 3 388.468 0.888 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)C1 ZINC000517073153 1195130875 /nfs/dbraw/zinc/13/08/75/1195130875.db2.gz WXGNJOLBCZPGCC-LLVKDONJSA-N 0 3 398.410 0.826 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)C1 ZINC000517073154 1195130911 /nfs/dbraw/zinc/13/09/11/1195130911.db2.gz WXGNJOLBCZPGCC-NSHDSACASA-N 0 3 398.410 0.826 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000549994854 1195142364 /nfs/dbraw/zinc/14/23/64/1195142364.db2.gz RLIMYSCFVUKNCQ-HOTGVXAUSA-N 0 3 396.557 0.940 20 0 GCADHN COCCOCCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425869389 1195142410 /nfs/dbraw/zinc/14/24/10/1195142410.db2.gz KFBPNSDRWSXHRI-ZWKOTPCHSA-N 0 3 375.469 0.499 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000425891533 1195154827 /nfs/dbraw/zinc/15/48/27/1195154827.db2.gz YKXQQZIFCPEWHK-KRWDZBQOSA-N 0 3 382.549 0.792 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN(Cc3nc(COC)no3)CC2)C1(C)C ZINC000517234278 1195160028 /nfs/dbraw/zinc/16/00/28/1195160028.db2.gz DBBNLOBGDBBMDI-FZKQIMNGSA-N 0 3 381.477 0.393 20 0 GCADHN CN(C)CCN1CC2(CN(C(=O)/C=C/c3ccc(Cl)nc3)C2)OCC1=O ZINC001270281257 1195168143 /nfs/dbraw/zinc/16/81/43/1195168143.db2.gz KNJQJZGTDUYYLN-GQCTYLIASA-N 0 3 378.860 0.750 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCCN1CCCCC1=O ZINC000517341414 1195172306 /nfs/dbraw/zinc/17/23/06/1195172306.db2.gz MHELEVKMPBAXOW-INIZCTEOSA-N 0 3 381.521 0.631 20 0 GCADHN CCC(CC)Nc1ccncc1NC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000517390794 1195177865 /nfs/dbraw/zinc/17/78/65/1195177865.db2.gz FJHPTLMMTVTHLW-UHFFFAOYSA-N 0 3 380.474 0.755 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCCN(c4cccc(F)c4)C3)CCN2C1=O ZINC000517394546 1195178743 /nfs/dbraw/zinc/17/87/43/1195178743.db2.gz LSPOFRJSHLERLH-BHYGNILZSA-N 0 3 375.448 0.748 20 0 GCADHN O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000438007631 1195179574 /nfs/dbraw/zinc/17/95/74/1195179574.db2.gz BSOHUOXOSARLRE-QYZOEREBSA-N 0 3 396.491 0.553 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000664674335 1195184811 /nfs/dbraw/zinc/18/48/11/1195184811.db2.gz PPMVIHZUYQNOBL-NVXWUHKLSA-N 0 3 395.529 0.298 20 0 GCADHN CC(=O)N1CSC[C@H]1C(=O)N1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001270312072 1195191083 /nfs/dbraw/zinc/19/10/83/1195191083.db2.gz JUKYVHSDEDYORJ-YJBOKZPZSA-N 0 3 382.530 0.453 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1nnc2n1CCCCC2 ZINC000517575958 1195193019 /nfs/dbraw/zinc/19/30/19/1195193019.db2.gz IYVOJHAUKHPXEV-HNNXBMFYSA-N 0 3 392.504 0.190 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NC1(CO)Cc2ccccc2C1 ZINC000438268750 1195201345 /nfs/dbraw/zinc/20/13/45/1195201345.db2.gz JFBKVUKQSIEUMG-UHFFFAOYSA-N 0 3 390.528 0.206 20 0 GCADHN COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000438264467 1195202528 /nfs/dbraw/zinc/20/25/28/1195202528.db2.gz YZTAJAVLXYFOEX-INIZCTEOSA-N 0 3 377.441 0.459 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000517652628 1195202770 /nfs/dbraw/zinc/20/27/70/1195202770.db2.gz RPHNNMQGZACISY-UHFFFAOYSA-N 0 3 395.529 0.978 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000517642151 1195203001 /nfs/dbraw/zinc/20/30/01/1195203001.db2.gz LKLPTHITLGHSGO-UHFFFAOYSA-N 0 3 394.541 0.837 20 0 GCADHN COc1cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)cc(OC)c1OCC(N)=O ZINC000438340018 1195208679 /nfs/dbraw/zinc/20/86/79/1195208679.db2.gz OUGUQKFIBWRZOI-AWEZNQCLSA-N 0 3 395.500 0.845 20 0 GCADHN CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1nnc2n1CCCCC2 ZINC000469392812 1195210280 /nfs/dbraw/zinc/21/02/80/1195210280.db2.gz HDKFYJRGEHNNKK-HUUCEWRRSA-N 0 3 376.505 0.982 20 0 GCADHN O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000517731215 1195212332 /nfs/dbraw/zinc/21/23/32/1195212332.db2.gz GYANHZXAIMRXBQ-OAHLLOKOSA-N 0 3 398.467 0.943 20 0 GCADHN CCc1cccc2c1N(C(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)CC2 ZINC000517754327 1195212948 /nfs/dbraw/zinc/21/29/48/1195212948.db2.gz SAXIRFPYGFLGRN-UHFFFAOYSA-N 0 3 398.507 0.905 20 0 GCADHN CCN1C(=O)CC[C@H](C(=O)NC[C@@]2(O)CN3CCC2CC3)[C@H]1c1cnn(C)c1 ZINC000517757041 1195213369 /nfs/dbraw/zinc/21/33/69/1195213369.db2.gz OORHLEMGIJNLNV-ILZDJORESA-N 0 3 389.500 0.293 20 0 GCADHN CC(C)[C@H](C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC000517814129 1195220245 /nfs/dbraw/zinc/22/02/45/1195220245.db2.gz KLPCINBFNNUXLH-HRCADAONSA-N 0 3 387.546 0.553 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000517873782 1195225512 /nfs/dbraw/zinc/22/55/12/1195225512.db2.gz GZANBBCHDQERII-QGZVFWFLSA-N 0 3 388.468 0.921 20 0 GCADHN CC(C)C[C@@H](CNC(=O)NCCCN1CCC[C@H]1C(N)=O)N1CCOCC1 ZINC000518081825 1195246628 /nfs/dbraw/zinc/24/66/28/1195246628.db2.gz YRVRULBXUIOYJN-IRXDYDNUSA-N 0 3 383.537 0.372 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC(CC(N)=O)CC1 ZINC000518138500 1195251919 /nfs/dbraw/zinc/25/19/19/1195251919.db2.gz HCXXEJJBCPGPOY-UHFFFAOYSA-N 0 3 376.457 0.809 20 0 GCADHN CC[C@H](C)N[C@@H](CNC(=O)NCC1(O)CCS(=O)(=O)CC1)c1ccco1 ZINC000509584185 1195261745 /nfs/dbraw/zinc/26/17/45/1195261745.db2.gz LOIVWRDPRLHHBW-KBPBESRZSA-N 0 3 387.502 0.948 20 0 GCADHN CCN1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@H](C)C1=O ZINC000506422807 1195264263 /nfs/dbraw/zinc/26/42/63/1195264263.db2.gz QELSOUZZAMRHRY-OAHLLOKOSA-N 0 3 386.496 0.281 20 0 GCADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000506427911 1195265484 /nfs/dbraw/zinc/26/54/84/1195265484.db2.gz JSBNYLYBVVXOOA-QGZVFWFLSA-N 0 3 386.496 0.329 20 0 GCADHN O=C(CN1CCC[C@H]1CCO)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000426220402 1195265602 /nfs/dbraw/zinc/26/56/02/1195265602.db2.gz PGWYBWWVYZWJTG-HNNXBMFYSA-N 0 3 399.488 0.505 20 0 GCADHN COC(=O)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(OC)c(OC)c1 ZINC000518218530 1195267060 /nfs/dbraw/zinc/26/70/60/1195267060.db2.gz NEXXXABFFAFOTM-VXGBXAGGSA-N 0 3 392.412 0.266 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc(F)cc1F ZINC000518218859 1195268791 /nfs/dbraw/zinc/26/87/91/1195268791.db2.gz SJJHBPYFMORWFZ-UGFHNGPFSA-N 0 3 380.395 0.303 20 0 GCADHN CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc(F)cc1F ZINC000518218858 1195269021 /nfs/dbraw/zinc/26/90/21/1195269021.db2.gz SJJHBPYFMORWFZ-GLQYFDAESA-N 0 3 380.395 0.303 20 0 GCADHN COc1cc(CN[C@H]2CCc3nc(C)nn3C2)cc(OC)c1OCC(N)=O ZINC000518279358 1195274755 /nfs/dbraw/zinc/27/47/55/1195274755.db2.gz QAERIJNMJVWEIX-ZDUSSCGKSA-N 0 3 375.429 0.572 20 0 GCADHN CSCC(=O)N1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001270425237 1195276564 /nfs/dbraw/zinc/27/65/64/1195276564.db2.gz WUHYSQGYJYNAJV-LJQANCHMSA-N 0 3 382.574 0.971 20 0 GCADHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000518398124 1195286816 /nfs/dbraw/zinc/28/68/16/1195286816.db2.gz NQXVLGOBNQWEAX-VNHYZAJKSA-N 0 3 384.436 0.689 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000518478716 1195294144 /nfs/dbraw/zinc/29/41/44/1195294144.db2.gz WBLIPNDLRBEQJW-UHFFFAOYSA-N 0 3 377.445 0.191 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000439204160 1195296163 /nfs/dbraw/zinc/29/61/63/1195296163.db2.gz PZGOODVTCUTNDK-OAHLLOKOSA-N 0 3 386.452 0.385 20 0 GCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)CCN1CCCC1)CC2 ZINC000439219329 1195296882 /nfs/dbraw/zinc/29/68/82/1195296882.db2.gz ZAMSUMFVNLWFNH-UHFFFAOYSA-N 0 3 394.497 0.038 20 0 GCADHN CCc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1S(N)(=O)=O ZINC000439210970 1195297376 /nfs/dbraw/zinc/29/73/76/1195297376.db2.gz CCZKGHJAVFWDHU-UHFFFAOYSA-N 0 3 382.486 0.389 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCNC(=O)[C@@H]3C)c2)CC1 ZINC000439216226 1195297992 /nfs/dbraw/zinc/29/79/92/1195297992.db2.gz XIEJZNMGHAJIIE-HNNXBMFYSA-N 0 3 387.484 0.502 20 0 GCADHN Cc1oc2ccccc2c1CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000518565902 1195302797 /nfs/dbraw/zinc/30/27/97/1195302797.db2.gz RLTKWNFWNBEHHV-BBRMVZONSA-N 0 3 384.436 0.170 20 0 GCADHN CN(C)CCN1CC[C@@]2(CCCN(C(=O)[C@@H]3CSCC(=O)N3)CC2)C1=O ZINC001270476046 1195309558 /nfs/dbraw/zinc/30/95/58/1195309558.db2.gz UPGIRDZIMKFNRZ-KSSFIOAISA-N 0 3 382.530 0.011 20 0 GCADHN CC[C@H](NC(=O)NC[C@H](C)CN1CCN(CC)CC1)C(=O)N1CCOCC1 ZINC000439362735 1195314118 /nfs/dbraw/zinc/31/41/18/1195314118.db2.gz XWPMHPHSWWHOIN-IRXDYDNUSA-N 0 3 383.537 0.197 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000664752227 1195320995 /nfs/dbraw/zinc/32/09/95/1195320995.db2.gz VKSGWKGACAFGJE-UHFFFAOYSA-N 0 3 377.493 0.107 20 0 GCADHN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)nn1C ZINC000439454216 1195322979 /nfs/dbraw/zinc/32/29/79/1195322979.db2.gz QXBZSTONRZPGCV-IRXDYDNUSA-N 0 3 385.468 0.666 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N(CCO)CC3CC3)cc21 ZINC000506607945 1195328764 /nfs/dbraw/zinc/32/87/64/1195328764.db2.gz HAYWJSHXHRRQOO-UHFFFAOYSA-N 0 3 390.440 0.326 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000518802857 1195333200 /nfs/dbraw/zinc/33/32/00/1195333200.db2.gz WIVDGXXYCWRLNM-HUUCEWRRSA-N 0 3 377.464 0.906 20 0 GCADHN N[C@H]1C[C@H]2CN(CC(=O)Nc3ccc4[nH]c(C(F)(F)F)nc4c3)CCN2C1=O ZINC000518796791 1195334169 /nfs/dbraw/zinc/33/41/69/1195334169.db2.gz AEEHINZEJDBNSK-QWRGUYRKSA-N 0 3 396.373 0.764 20 0 GCADHN CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000518796869 1195334184 /nfs/dbraw/zinc/33/41/84/1195334184.db2.gz CCVRWCNRRHGXTH-VXGBXAGGSA-N 0 3 379.848 0.115 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1Cl ZINC000518797841 1195335210 /nfs/dbraw/zinc/33/52/10/1195335210.db2.gz SOSDTFNDGXFWEF-RCBQFDQVSA-N 0 3 392.887 0.924 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2ncsc2c1 ZINC000439617368 1195337290 /nfs/dbraw/zinc/33/72/90/1195337290.db2.gz JNTWHEVNOCCVAN-UHFFFAOYSA-N 0 3 380.470 0.634 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000439638849 1195338001 /nfs/dbraw/zinc/33/80/01/1195338001.db2.gz XFERBAZTQIEUOF-UHFFFAOYSA-N 0 3 378.473 0.298 20 0 GCADHN Cc1cc2c(cc1NC(=O)C(=O)N(CCOCCO)CCN(C)C)OCO2 ZINC000439635231 1195338116 /nfs/dbraw/zinc/33/81/16/1195338116.db2.gz QIPXKWPGRFVCQQ-UHFFFAOYSA-N 0 3 381.429 0.061 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC([C@H]2CCCO2)CC1 ZINC000439640638 1195338497 /nfs/dbraw/zinc/33/84/97/1195338497.db2.gz DDHMJGZMGYOBEE-LJQANCHMSA-N 0 3 382.549 0.977 20 0 GCADHN COCCOCCN1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000653381772 1195338971 /nfs/dbraw/zinc/33/89/71/1195338971.db2.gz XWPATZMIKQCPQK-ZWKOTPCHSA-N 0 3 398.548 0.030 20 0 GCADHN COC(=O)[C@H]1CC12CCN(C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)CC2 ZINC000506643089 1195340147 /nfs/dbraw/zinc/34/01/47/1195340147.db2.gz NYOCSFCGPJJOAW-HZPDHXFCSA-N 0 3 394.516 0.914 20 0 GCADHN CC(C)NC(=O)CN(C)CC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000506649673 1195341588 /nfs/dbraw/zinc/34/15/88/1195341588.db2.gz BMUKKLOYOMMAQO-PXNSSMCTSA-N 0 3 375.517 0.989 20 0 GCADHN CCn1ncc(NC(=O)C(=O)N(CCOC)CCN(C)C)c1C(F)(F)F ZINC000439729151 1195344074 /nfs/dbraw/zinc/34/40/74/1195344074.db2.gz FPHSCDLTMAIPRV-UHFFFAOYSA-N 0 3 379.383 0.897 20 0 GCADHN COC(=O)c1ccc(OCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000518945975 1195351014 /nfs/dbraw/zinc/35/10/14/1195351014.db2.gz XULBARBRVOPFOU-WFASDCNBSA-N 0 3 393.440 0.197 20 0 GCADHN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000519024642 1195361442 /nfs/dbraw/zinc/36/14/42/1195361442.db2.gz YOURFCYVJWGUNR-QWHCGFSZSA-N 0 3 390.406 0.353 20 0 GCADHN Cc1ccc(C[C@@H](C)NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)c(C)c1 ZINC000653393572 1195379231 /nfs/dbraw/zinc/37/92/31/1195379231.db2.gz DKVVDTFJGCHLTQ-QGZVFWFLSA-N 0 3 388.512 0.583 20 0 GCADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cccc(F)c2C(=O)OC)CC1 ZINC000440094448 1195384447 /nfs/dbraw/zinc/38/44/47/1195384447.db2.gz VOIPXUOSVBSAMT-CYBMUJFWSA-N 0 3 387.477 0.917 20 0 GCADHN COCCN1CCC(NC(=O)NCc2ccc(OCCO)c(OC)c2)CC1 ZINC000299254596 1195393318 /nfs/dbraw/zinc/39/33/18/1195393318.db2.gz QWWKYYCIKGLKKD-UHFFFAOYSA-N 0 3 381.473 0.976 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000519344119 1195393967 /nfs/dbraw/zinc/39/39/67/1195393967.db2.gz RWSMGAZGYIHWPS-UONOGXRCSA-N 0 3 396.513 0.770 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@]1(C)CCCO ZINC000519367619 1195396126 /nfs/dbraw/zinc/39/61/26/1195396126.db2.gz NMXTZGVOXXMDNN-OXJNMPFZSA-N 0 3 396.532 0.199 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000440262726 1195396784 /nfs/dbraw/zinc/39/67/84/1195396784.db2.gz CPYULWMFVDEVOM-UHFFFAOYSA-N 0 3 390.484 0.816 20 0 GCADHN Cc1c(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cccc1-n1cnnn1 ZINC000519377757 1195397287 /nfs/dbraw/zinc/39/72/87/1195397287.db2.gz SAZQRDSOYZMEAI-OAHLLOKOSA-N 0 3 383.456 0.996 20 0 GCADHN C[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000440293115 1195402965 /nfs/dbraw/zinc/40/29/65/1195402965.db2.gz LSHYGVLTFRKHDG-CQSZACIVSA-N 0 3 375.473 0.656 20 0 GCADHN C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000440297186 1195403617 /nfs/dbraw/zinc/40/36/17/1195403617.db2.gz QQSLYSNFGIXALI-ZDUSSCGKSA-N 0 3 389.456 0.182 20 0 GCADHN COc1cc(OC)c(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Cl ZINC000519426138 1195405182 /nfs/dbraw/zinc/40/51/82/1195405182.db2.gz FTZRIERMKJCHOG-PWSUYJOCSA-N 0 3 382.848 0.540 20 0 GCADHN COc1cc(OC)c(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Cl ZINC000519426136 1195405350 /nfs/dbraw/zinc/40/53/50/1195405350.db2.gz FTZRIERMKJCHOG-CMPLNLGQSA-N 0 3 382.848 0.540 20 0 GCADHN COc1cc(OC)c(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Cl ZINC000519426139 1195405512 /nfs/dbraw/zinc/40/55/12/1195405512.db2.gz FTZRIERMKJCHOG-ZYHUDNBSSA-N 0 3 382.848 0.540 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1=O ZINC000550038117 1195422786 /nfs/dbraw/zinc/42/27/86/1195422786.db2.gz ZLRSUDQAOVQPTK-SFHVURJKSA-N 0 3 388.512 0.602 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CCN(c2nccs2)CC1 ZINC000664811508 1195423917 /nfs/dbraw/zinc/42/39/17/1195423917.db2.gz UANYRZLIYFDYDJ-UHFFFAOYSA-N 0 3 382.534 0.773 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000519540620 1195427569 /nfs/dbraw/zinc/42/75/69/1195427569.db2.gz LUXCXIDVMFARPH-AWEZNQCLSA-N 0 3 395.506 0.945 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000119648838 1195428097 /nfs/dbraw/zinc/42/80/97/1195428097.db2.gz OAHXWOXQFGJIAT-FUHWJXTLSA-N 0 3 376.501 0.762 20 0 GCADHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H](n3cc(CN)nn3)C1)C2=O ZINC000519547044 1195428754 /nfs/dbraw/zinc/42/87/54/1195428754.db2.gz XLCNLQJBWOMOTO-CQSZACIVSA-N 0 3 382.424 0.505 20 0 GCADHN Cn1ccnc1[C@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)C(C)(C)CO ZINC000664815956 1195430059 /nfs/dbraw/zinc/43/00/59/1195430059.db2.gz YFZYALFLJBZPDC-HNNXBMFYSA-N 0 3 380.537 0.805 20 0 GCADHN O=C(Cn1ccccc1=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000110854985 1195431855 /nfs/dbraw/zinc/43/18/55/1195431855.db2.gz IFKOIYVQPWVISJ-UHFFFAOYSA-N 0 3 382.464 0.990 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000473674848 1195437634 /nfs/dbraw/zinc/43/76/34/1195437634.db2.gz GSBWMPHPBGTPFJ-UHFFFAOYSA-N 0 3 383.518 0.872 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCc1ccc2c(c1)OCO2 ZINC000550115546 1195440789 /nfs/dbraw/zinc/44/07/89/1195440789.db2.gz ZQSLUZGJTQZUJQ-INIZCTEOSA-N 0 3 391.468 0.643 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000473700963 1195443779 /nfs/dbraw/zinc/44/37/79/1195443779.db2.gz SKSAJKFEFPECHB-AWEZNQCLSA-N 0 3 377.493 0.309 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000333866772 1195445596 /nfs/dbraw/zinc/44/55/96/1195445596.db2.gz AYGYLVCIYKRZBB-UHFFFAOYSA-N 0 3 385.534 0.112 20 0 GCADHN CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000111505117 1195446637 /nfs/dbraw/zinc/44/66/37/1195446637.db2.gz LBQMOBAUVPVEOP-QGZVFWFLSA-N 0 3 375.517 0.970 20 0 GCADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000550141697 1195447591 /nfs/dbraw/zinc/44/75/91/1195447591.db2.gz ZHFAFARPRDKLOQ-QZTJIDSGSA-N 0 3 397.497 0.491 20 0 GCADHN NC(=O)CCN(C(=O)CN[C@@H](C1CC1)[C@@]1(CO)CCCO1)c1ccc(F)cc1 ZINC000550141604 1195447597 /nfs/dbraw/zinc/44/75/97/1195447597.db2.gz ZGALWSITCDDIDA-PMACEKPBSA-N 0 3 393.459 0.944 20 0 GCADHN CN1CCN(CCNC(=O)N2CCC(CN3CCNC3=O)CC2)CC1(C)C ZINC000894601212 1195449882 /nfs/dbraw/zinc/44/98/82/1195449882.db2.gz IUBKRAHSNPDCKA-UHFFFAOYSA-N 0 3 380.537 0.459 20 0 GCADHN CNC(=O)CN1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000111565387 1195450251 /nfs/dbraw/zinc/45/02/51/1195450251.db2.gz LAFVEUQSULIOMV-UHFFFAOYSA-N 0 3 387.528 0.479 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000473721313 1195450309 /nfs/dbraw/zinc/45/03/09/1195450309.db2.gz BCFFSNJJKRNSFQ-OAHLLOKOSA-N 0 3 384.502 0.515 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000473721311 1195450551 /nfs/dbraw/zinc/45/05/51/1195450551.db2.gz BCFFSNJJKRNSFQ-HNNXBMFYSA-N 0 3 384.502 0.515 20 0 GCADHN C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nnc2n1CCCC2 ZINC000121306686 1195452410 /nfs/dbraw/zinc/45/24/10/1195452410.db2.gz VKJRTIQOSCVGMI-GJZGRUSLSA-N 0 3 389.504 0.623 20 0 GCADHN COc1ccc([C@@H]2CCN(CCO)C[C@@H]2NC(=O)[C@H]2CN(C)C[C@@H](C)O2)cc1 ZINC001087474546 1195453673 /nfs/dbraw/zinc/45/36/73/1195453673.db2.gz LGSDGBINWKQQHI-XFWGSAIBSA-N 0 3 391.512 0.681 20 0 GCADHN Cc1ccc(-c2nnn(CC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)n2)cc1 ZINC000101696776 1195455291 /nfs/dbraw/zinc/45/52/91/1195455291.db2.gz AGJLCSBPDSCHKQ-QGZVFWFLSA-N 0 3 399.499 0.707 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000647958746 1195457483 /nfs/dbraw/zinc/45/74/83/1195457483.db2.gz ZMYKMDYKGXJDNJ-HNNXBMFYSA-N 0 3 395.460 0.548 20 0 GCADHN C[C@@H](Cn1cccn1)NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000550205673 1195461601 /nfs/dbraw/zinc/46/16/01/1195461601.db2.gz PNSIYLFCQNXAAR-KRWDZBQOSA-N 0 3 398.511 0.948 20 0 GCADHN C[C@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)CN1CCN(C)CC1 ZINC000121815669 1195465001 /nfs/dbraw/zinc/46/50/01/1195465001.db2.gz SPCDSPVRETTZKF-MRXNPFEDSA-N 0 3 394.541 0.840 20 0 GCADHN CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894799773 1195473126 /nfs/dbraw/zinc/47/31/26/1195473126.db2.gz AJXHGJNUBIDNBR-OWCLPIDISA-N 0 3 388.534 0.041 20 0 GCADHN CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)N1CCOCC1 ZINC000550275739 1195474878 /nfs/dbraw/zinc/47/48/78/1195474878.db2.gz DGIVUPUYSVDCOI-SJORKVTESA-N 0 3 382.549 0.696 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)N1CCOCC1 ZINC000550278162 1195475658 /nfs/dbraw/zinc/47/56/58/1195475658.db2.gz FPEJZCSSRKUPAG-KRWDZBQOSA-N 0 3 382.549 0.792 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000550278588 1195483127 /nfs/dbraw/zinc/48/31/27/1195483127.db2.gz XAFAFBHUMWKVFU-QZTJIDSGSA-N 0 3 382.549 0.840 20 0 GCADHN C[C@@H]1CCC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000519586991 1195488500 /nfs/dbraw/zinc/48/85/00/1195488500.db2.gz NEIKIRUNFWSIGB-IAGOWNOFSA-N 0 3 378.517 0.790 20 0 GCADHN CN(CC(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000507074661 1195490055 /nfs/dbraw/zinc/49/00/55/1195490055.db2.gz AIRQISCIZIDBMD-GOSISDBHSA-N 0 3 379.526 0.670 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)Cc2ccncc2)CC1 ZINC000507140996 1195496898 /nfs/dbraw/zinc/49/68/98/1195496898.db2.gz MBGIJLJDXKRPJM-MRXNPFEDSA-N 0 3 389.500 0.141 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC000507164046 1195499413 /nfs/dbraw/zinc/49/94/13/1195499413.db2.gz IIIBWXFVYGDHSR-OAHLLOKOSA-N 0 3 381.498 0.870 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CCC[C@H]1OC(F)F ZINC000507220741 1195503323 /nfs/dbraw/zinc/50/33/23/1195503323.db2.gz ZLMYLHUVRVSEPZ-HUUCEWRRSA-N 0 3 378.464 0.836 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)CC1 ZINC000427125710 1195509685 /nfs/dbraw/zinc/50/96/85/1195509685.db2.gz GPKPOSRKJIECJW-UHFFFAOYSA-N 0 3 385.468 0.231 20 0 GCADHN COc1ccc(CCNC(=O)NCCN2CCCCC2)cc1S(N)(=O)=O ZINC000507459836 1195523758 /nfs/dbraw/zinc/52/37/58/1195523758.db2.gz XRZKDEXKLLYYCP-UHFFFAOYSA-N 0 3 384.502 0.670 20 0 GCADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000427337846 1195527240 /nfs/dbraw/zinc/52/72/40/1195527240.db2.gz WQZYESMXEFUQBO-DAYGRLMNSA-N 0 3 396.532 0.495 20 0 GCADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)c1cccnc1Cl)C2 ZINC001270767565 1195533385 /nfs/dbraw/zinc/53/33/85/1195533385.db2.gz MEUSUUDXGXNVJA-GOSISDBHSA-N 0 3 380.876 0.988 20 0 GCADHN Cc1nc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)sc1C ZINC000507558607 1195533668 /nfs/dbraw/zinc/53/36/68/1195533668.db2.gz SEJGZXYZJVOYDQ-UHFFFAOYSA-N 0 3 393.513 0.143 20 0 GCADHN O=C(CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCC1)NC[C@H]1CCOC1 ZINC001270771533 1195535554 /nfs/dbraw/zinc/53/55/54/1195535554.db2.gz JIWHUHKMKVEJPL-PITCONLNSA-N 0 3 391.512 0.581 20 0 GCADHN CC1=C(C(=O)N2CCOC[C@]3(CC(=O)N(CCN(C)C)C3)C2)SC(C)N1 ZINC001270775983 1195538346 /nfs/dbraw/zinc/53/83/46/1195538346.db2.gz QKPHGPINQROTBF-SFHVURJKSA-N 0 3 381.522 0.703 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[C@@H]1O ZINC000427507303 1195547150 /nfs/dbraw/zinc/54/71/50/1195547150.db2.gz SKPUNBWVHTYILL-WFASDCNBSA-N 0 3 390.440 0.324 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[C@@H]1O ZINC000427507300 1195547215 /nfs/dbraw/zinc/54/72/15/1195547215.db2.gz SKPUNBWVHTYILL-DOMZBBRYSA-N 0 3 390.440 0.324 20 0 GCADHN Cc1csc([C@@H](C)CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)n1 ZINC000507712521 1195550068 /nfs/dbraw/zinc/55/00/68/1195550068.db2.gz CZTCCGLFHSPTMT-AWEZNQCLSA-N 0 3 381.546 0.767 20 0 GCADHN C[C@@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883776 1195551509 /nfs/dbraw/zinc/55/15/09/1195551509.db2.gz MUPDWNFYGLLBMW-VQTPCSAVSA-N 0 3 395.548 0.478 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000519621651 1195558904 /nfs/dbraw/zinc/55/89/04/1195558904.db2.gz RCAWSQGDOSSMAI-BPQIPLTHSA-N 0 3 385.505 0.702 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC000519633579 1195560052 /nfs/dbraw/zinc/56/00/52/1195560052.db2.gz JILAOABPKFXBFZ-IXDOHACOSA-N 0 3 396.532 0.367 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(CCC(F)(F)F)cc3)CCN2C1=O ZINC000519656857 1195560588 /nfs/dbraw/zinc/56/05/88/1195560588.db2.gz VTDWLOHBYKLIKN-KGLIPLIRSA-N 0 3 398.385 0.890 20 0 GCADHN COCCN(C)C[C@H](O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O ZINC000519649863 1195561973 /nfs/dbraw/zinc/56/19/73/1195561973.db2.gz NTBZEPSBGREXDX-JTQLQIEISA-N 0 3 390.362 0.053 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000519766976 1195568322 /nfs/dbraw/zinc/56/83/22/1195568322.db2.gz QNQJYGGRYAZEIE-HNNXBMFYSA-N 0 3 392.504 0.984 20 0 GCADHN O=C(CNC[C@@H]1CCCO1)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000519774659 1195568728 /nfs/dbraw/zinc/56/87/28/1195568728.db2.gz YOKOWHRBNBHIMA-AWEZNQCLSA-N 0 3 385.461 0.750 20 0 GCADHN CN(C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1c(F)cccc1F ZINC000519770823 1195568875 /nfs/dbraw/zinc/56/88/75/1195568875.db2.gz OOEWTIAJNRSZHP-BYCMXARLSA-N 0 3 381.427 0.521 20 0 GCADHN O=C(C(=O)N1CCCN(C(=O)C2CC2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000519809095 1195572200 /nfs/dbraw/zinc/57/22/00/1195572200.db2.gz CABIPRSCBLXQGS-KRWDZBQOSA-N 0 3 376.501 0.544 20 0 GCADHN C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H](C)CN1 ZINC000519829721 1195574139 /nfs/dbraw/zinc/57/41/39/1195574139.db2.gz YPZXNHFQWGZYKN-STQMWFEESA-N 0 3 383.470 0.335 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)nn1 ZINC000440780172 1195582044 /nfs/dbraw/zinc/58/20/44/1195582044.db2.gz IHIMFPSFSUIVIW-QGZVFWFLSA-N 0 3 386.456 0.915 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3cc(Cl)c[nH]c3=O)C[C@@]2(F)C1=O ZINC001270820528 1195584889 /nfs/dbraw/zinc/58/48/89/1195584889.db2.gz RWNMMVQIBZCEQS-HZPDHXFCSA-N 0 3 388.802 0.717 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CN1C1CC1 ZINC000440908140 1195589658 /nfs/dbraw/zinc/58/96/58/1195589658.db2.gz BZIYABLANDIMCH-PBFPGSCMSA-N 0 3 398.463 0.658 20 0 GCADHN CN1CCN(CCNC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1(C)C ZINC000440974014 1195593361 /nfs/dbraw/zinc/59/33/61/1195593361.db2.gz AERVNJWVVUHUSS-KRWDZBQOSA-N 0 3 379.549 0.960 20 0 GCADHN CCCCN(C(=O)CNC1(CO)CCCC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000441007377 1195596348 /nfs/dbraw/zinc/59/63/48/1195596348.db2.gz CWCPVDOMLHSGPE-UHFFFAOYSA-N 0 3 395.504 0.969 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@H]2C(=O)NCC[C@H]2C)c1 ZINC000441155465 1195606462 /nfs/dbraw/zinc/60/64/62/1195606462.db2.gz LOWKVFTUQBDQRU-CRAIPNDOSA-N 0 3 392.500 0.967 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CC[S@](=O)C3)c2)CC1 ZINC000441193077 1195608708 /nfs/dbraw/zinc/60/87/08/1195608708.db2.gz FXDIZURCFGKZKS-JWIGPWBQSA-N 0 3 392.525 0.793 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CC[S@](=O)C3)c2)CC1 ZINC000441200513 1195609573 /nfs/dbraw/zinc/60/95/73/1195609573.db2.gz PTIORHROOZWZGX-HAWMADMCSA-N 0 3 378.498 0.404 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[S@@](=O)C3)c(C)c2)CC1 ZINC000441185116 1195610739 /nfs/dbraw/zinc/61/07/39/1195610739.db2.gz SAIGQLRKWBWMFY-YVORESIASA-N 0 3 392.525 0.713 20 0 GCADHN C[C@H](C(=O)N(C)CCCN1CCN(C)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000520359064 1195626458 /nfs/dbraw/zinc/62/64/58/1195626458.db2.gz CCDFREPBMGJGLJ-ZACQAIPSSA-N 0 3 378.517 0.646 20 0 GCADHN C[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)N(C)Cc1ccccc1 ZINC000520393460 1195629385 /nfs/dbraw/zinc/62/93/85/1195629385.db2.gz KHMPQRTVPPCWDT-CQSZACIVSA-N 0 3 397.479 0.826 20 0 GCADHN CO[C@@H]1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C)C1 ZINC000441380365 1195629436 /nfs/dbraw/zinc/62/94/36/1195629436.db2.gz QPUSFWSBGQVIBV-LSDHHAIUSA-N 0 3 387.488 0.511 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1 ZINC000188417590 1195632250 /nfs/dbraw/zinc/63/22/50/1195632250.db2.gz RRXYFWNDIBESCR-OAHLLOKOSA-N 0 3 376.505 0.936 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 ZINC000188417565 1195632494 /nfs/dbraw/zinc/63/24/94/1195632494.db2.gz RRXYFWNDIBESCR-HNNXBMFYSA-N 0 3 376.505 0.936 20 0 GCADHN CCN(CCCNC(=O)NC(C)(C)CCN1CCN(C)CC1)S(C)(=O)=O ZINC000473902550 1195634236 /nfs/dbraw/zinc/63/42/36/1195634236.db2.gz CNTUDQVBSCBONY-UHFFFAOYSA-N 0 3 391.582 0.373 20 0 GCADHN CCCN(C(=O)[C@H](C)N[C@@H]1CCc2nc(C)nn2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000112549735 1195636649 /nfs/dbraw/zinc/63/66/49/1195636649.db2.gz VVVOIFGESQESSU-NWANDNLSSA-N 0 3 383.518 0.305 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000550345069 1195638608 /nfs/dbraw/zinc/63/86/08/1195638608.db2.gz FREKJTFSAPIQOE-AWEZNQCLSA-N 0 3 375.477 0.204 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000112917172 1195645561 /nfs/dbraw/zinc/64/55/61/1195645561.db2.gz KTQPLVNQDUQHBF-HNNXBMFYSA-N 0 3 387.484 0.222 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc3c(c2)[nH]c(=O)n(CC)c3=O)CC1 ZINC000112917642 1195645684 /nfs/dbraw/zinc/64/56/84/1195645684.db2.gz GXJFPZVDFQHFQI-CQSZACIVSA-N 0 3 387.484 0.466 20 0 GCADHN CCN1CCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000112918018 1195645829 /nfs/dbraw/zinc/64/58/29/1195645829.db2.gz GSDTXCBWTMGGJG-UHFFFAOYSA-N 0 3 394.541 0.838 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(C)cc(C(=O)OC)c2)CC1=O ZINC000425318749 1195649950 /nfs/dbraw/zinc/64/99/50/1195649950.db2.gz PCDXRGWMFVVGNE-QGZVFWFLSA-N 0 3 391.468 0.691 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000328814666 1195666327 /nfs/dbraw/zinc/66/63/27/1195666327.db2.gz GJMAOEQUQUFKQR-UHFFFAOYSA-N 0 3 384.477 0.626 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1 ZINC000520432631 1195666417 /nfs/dbraw/zinc/66/64/17/1195666417.db2.gz FXTFUQWMXUVERA-UHFFFAOYSA-N 0 3 386.456 0.492 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000520436032 1195675678 /nfs/dbraw/zinc/67/56/78/1195675678.db2.gz UFDKQIGQSDUIDW-ROUUACIJSA-N 0 3 380.533 0.594 20 0 GCADHN CCN1CCC[C@H](CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000328960663 1195682337 /nfs/dbraw/zinc/68/23/37/1195682337.db2.gz PPVPNFFFBFZIGC-LLVKDONJSA-N 0 3 381.458 0.044 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000330390300 1195686555 /nfs/dbraw/zinc/68/65/55/1195686555.db2.gz GIOPJRSUAZWERR-MRXNPFEDSA-N 0 3 381.521 0.439 20 0 GCADHN COC(=O)C(C)(C)CS(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000330794212 1195707983 /nfs/dbraw/zinc/70/79/83/1195707983.db2.gz FPQSLQBKKSFZSS-UHFFFAOYSA-N 0 3 389.562 0.865 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCO[C@@H](CN(C)C)C2)cc1C(=O)N(C)C ZINC000330824646 1195709287 /nfs/dbraw/zinc/70/92/87/1195709287.db2.gz HARLDAUFVXSRPF-ZDUSSCGKSA-N 0 3 385.486 0.348 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2c(C)nn(CC)c2C)CC1 ZINC000330909763 1195712989 /nfs/dbraw/zinc/71/29/89/1195712989.db2.gz XVEFTJHVYJUQJE-UHFFFAOYSA-N 0 3 385.534 0.695 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)o1 ZINC000331026116 1195715690 /nfs/dbraw/zinc/71/56/90/1195715690.db2.gz BFPFFXBVMNZGEL-UHFFFAOYSA-N 0 3 386.518 0.676 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(CS(C)(=O)=O)c2)CC1 ZINC000331139432 1195720881 /nfs/dbraw/zinc/72/08/81/1195720881.db2.gz DQXCCDHKVAOMGQ-QGZVFWFLSA-N 0 3 393.509 0.610 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cn(Cc3cccs3)nn2)CC1 ZINC000608123643 1195731950 /nfs/dbraw/zinc/73/19/50/1195731950.db2.gz DMECWPPQJNZWLI-MRXNPFEDSA-N 0 3 388.497 0.942 20 0 GCADHN O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729494724 1195737213 /nfs/dbraw/zinc/73/72/13/1195737213.db2.gz AQRYPNWFRLEAKR-HUUCEWRRSA-N 0 3 393.488 0.404 20 0 GCADHN CSc1ccc([C@@H](CNC(=O)N2CC3(C2)NC(=O)NC3=O)N(C)C)cc1 ZINC000895060004 1195740268 /nfs/dbraw/zinc/74/02/68/1195740268.db2.gz ZIEIMLUTCODXRV-CYBMUJFWSA-N 0 3 377.470 0.615 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCc3ccc(N4CCCCCC4)nc3)CCN2C1=O ZINC000579377037 1195747515 /nfs/dbraw/zinc/74/75/15/1195747515.db2.gz NVOGUIAECBXYFT-DLBZAZTESA-N 0 3 386.500 0.915 20 0 GCADHN COCC(=O)Nc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000729496465 1195750997 /nfs/dbraw/zinc/75/09/97/1195750997.db2.gz SDFMWSKTZFSOQX-IAGOWNOFSA-N 0 3 376.457 0.934 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](O)[C@H](C)C3)cc2)CC1 ZINC000189743424 1195751935 /nfs/dbraw/zinc/75/19/35/1195751935.db2.gz RDKJHEYLEPOHHD-VQIMIIECSA-N 0 3 388.512 0.992 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)CN1CCOCC1 ZINC000550413785 1195754692 /nfs/dbraw/zinc/75/46/92/1195754692.db2.gz ZDFNURAEIHCNAC-IEBWSBKVSA-N 0 3 390.528 0.360 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000132912786 1195767046 /nfs/dbraw/zinc/76/70/46/1195767046.db2.gz XJKHLSOIWLPCLA-AWEZNQCLSA-N 0 3 382.530 0.707 20 0 GCADHN CC(C)(O)CN1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000507768773 1195770753 /nfs/dbraw/zinc/77/07/53/1195770753.db2.gz TZTAGPIYSBKHRI-UHFFFAOYSA-N 0 3 384.502 0.051 20 0 GCADHN Cn1cccc1C(=O)N1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729504075 1195772421 /nfs/dbraw/zinc/77/24/21/1195772421.db2.gz ZOWANOHLHQZMNN-CVEARBPZSA-N 0 3 375.473 0.356 20 0 GCADHN NS(=O)(=O)CCOCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000665100743 1195773617 /nfs/dbraw/zinc/77/36/17/1195773617.db2.gz CNWZSFXLBGBSPG-UHFFFAOYSA-N 0 3 384.502 0.209 20 0 GCADHN CCN1CCN(c2ccc(C(=O)NCC3CN(S(=O)(=O)CC)C3)cc2)CC1 ZINC000191060559 1195774622 /nfs/dbraw/zinc/77/46/22/1195774622.db2.gz LOFVHCCZIOODPZ-UHFFFAOYSA-N 0 3 394.541 0.840 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCOCCS(N)(=O)=O ZINC000665102655 1195776286 /nfs/dbraw/zinc/77/62/86/1195776286.db2.gz ULQPEIARUGJSHQ-MRXNPFEDSA-N 0 3 398.529 0.598 20 0 GCADHN O=C(Cc1cccc(F)c1)NCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729506095 1195776904 /nfs/dbraw/zinc/77/69/04/1195776904.db2.gz RTFPMZATAKLJBJ-SJORKVTESA-N 0 3 378.448 0.647 20 0 GCADHN CCN(C(=O)NCCOCCS(N)(=O)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000665104013 1195777723 /nfs/dbraw/zinc/77/77/23/1195777723.db2.gz BYEQFKUGAVUONU-KRWDZBQOSA-N 0 3 398.529 0.598 20 0 GCADHN CC(=O)N1CCN(C(=O)CN2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000182982050 1195792340 /nfs/dbraw/zinc/79/23/40/1195792340.db2.gz NDJLOUGIWKMPPO-UHFFFAOYSA-N 0 3 380.533 0.502 20 0 GCADHN CCN(CC)C[C@H](F)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1nnc[nH]1)C2 ZINC001719886143 1195803464 /nfs/dbraw/zinc/80/34/64/1195803464.db2.gz RXIXEONYSXXHFZ-BARDWOONSA-N 0 3 380.468 0.665 20 0 GCADHN CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000184182432 1195815798 /nfs/dbraw/zinc/81/57/98/1195815798.db2.gz RYOUNPYGSQOXJZ-UHFFFAOYSA-N 0 3 382.530 0.741 20 0 GCADHN CN1CCN(CCC(C)(C)NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000184203144 1195818065 /nfs/dbraw/zinc/81/80/65/1195818065.db2.gz MGFGIDXLSMUAHS-HZPDHXFCSA-N 0 3 378.517 0.694 20 0 GCADHN COc1cc(OC)c(CNC(=O)CN2CC[C@@H](c3nc[nH]n3)C2)c(OC)c1 ZINC000425552431 1195828940 /nfs/dbraw/zinc/82/89/40/1195828940.db2.gz RTFWFLZHFSCQDP-GFCCVEGCSA-N 0 3 375.429 0.936 20 0 GCADHN CN(C)S(=O)(=O)NCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000614656760 1195829619 /nfs/dbraw/zinc/82/96/19/1195829619.db2.gz FNFKVNXCBXNVMG-UHFFFAOYSA-N 0 3 377.470 0.279 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1 ZINC000441779877 1195845964 /nfs/dbraw/zinc/84/59/64/1195845964.db2.gz VQSZBZMGDRGUPS-QWHCGFSZSA-N 0 3 392.456 0.373 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H]3CN(CCCN4CCCC4=O)C[C@H]32)C1 ZINC001075803987 1195852699 /nfs/dbraw/zinc/85/26/99/1195852699.db2.gz OGJDOIFNPBQUBP-YYIAUSFCSA-N 0 3 376.501 0.446 20 0 GCADHN COCCN(C)CCNC(=O)CC[C@@H]1NC(=O)N(c2cccc(C)c2)C1=O ZINC000520772924 1195852909 /nfs/dbraw/zinc/85/29/09/1195852909.db2.gz LYEUSBZKGVLPOP-INIZCTEOSA-N 0 3 376.457 0.894 20 0 GCADHN Cc1cc(CN2CCN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)CC2)on1 ZINC000186099693 1195860963 /nfs/dbraw/zinc/86/09/63/1195860963.db2.gz KBCKLHLYJFAKDR-INIZCTEOSA-N 0 3 378.521 0.836 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCCCCO)cc1)[C@@H]1CCCN(C)C1 ZINC000427850622 1195884630 /nfs/dbraw/zinc/88/46/30/1195884630.db2.gz ISLMVYNEKUBSDH-QGZVFWFLSA-N 0 3 390.484 0.680 20 0 GCADHN C[C@@H](CNC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)CN1CCN(C)CC1 ZINC000427837733 1195885826 /nfs/dbraw/zinc/88/58/26/1195885826.db2.gz QRIVIRVGOXDLFB-HRAATJIYSA-N 0 3 388.512 0.393 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](CO)[C@H]3C)cc2)CC1 ZINC000427865436 1195888826 /nfs/dbraw/zinc/88/88/26/1195888826.db2.gz HXKDPOMFQBTCQU-AEFFLSMTSA-N 0 3 388.512 0.992 20 0 GCADHN COc1cccc([C@@H](CNC(=O)Cn2ncn3nccc3c2=O)N2CCCC2)c1 ZINC000487408711 1195901286 /nfs/dbraw/zinc/90/12/86/1195901286.db2.gz UFDNWXGIJMSVRQ-GOSISDBHSA-N 0 3 396.451 0.853 20 0 GCADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729529571 1195914400 /nfs/dbraw/zinc/91/44/00/1195914400.db2.gz WXNDKWBDEYRUOY-HUUCEWRRSA-N 0 3 387.484 0.790 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000428142432 1195914452 /nfs/dbraw/zinc/91/44/52/1195914452.db2.gz RKCLLLKIOFBORF-CYBMUJFWSA-N 0 3 395.485 0.649 20 0 GCADHN C[C@H](NC(=O)COc1ccccc1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000508314693 1195918571 /nfs/dbraw/zinc/91/85/71/1195918571.db2.gz AAEPRWKSUAPJDC-INIZCTEOSA-N 0 3 376.501 0.712 20 0 GCADHN CNC(=O)COc1cccc(CC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000508345381 1195920780 /nfs/dbraw/zinc/92/07/80/1195920780.db2.gz HCUXBYADTLNLLB-UHFFFAOYSA-N 0 3 376.501 0.496 20 0 GCADHN COc1cc(NC(=O)CCN[C@H]2CCCN(CCO)C2=O)cc(OC)c1OC ZINC000520812879 1195922911 /nfs/dbraw/zinc/92/29/11/1195922911.db2.gz HYKRKPCOEDTHJG-AWEZNQCLSA-N 0 3 395.456 0.614 20 0 GCADHN COCCn1cc(S(=O)(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cn1 ZINC000366884066 1195924187 /nfs/dbraw/zinc/92/41/87/1195924187.db2.gz NURFRNMZULDNJW-UHFFFAOYSA-N 0 3 399.561 0.709 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000520847774 1195927940 /nfs/dbraw/zinc/92/79/40/1195927940.db2.gz RSRIIQQSJFYTOP-IXDOHACOSA-N 0 3 382.549 0.981 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c(OCC(=O)N(C)C)c1 ZINC000441915897 1195931413 /nfs/dbraw/zinc/93/14/13/1195931413.db2.gz AEAOZLIDDLBUQS-UHFFFAOYSA-N 0 3 390.484 0.953 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1OCC(N)=O ZINC000441939594 1195933473 /nfs/dbraw/zinc/93/34/73/1195933473.db2.gz ZCBPCIODSBDHGJ-UHFFFAOYSA-N 0 3 378.429 0.050 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000441947275 1195934383 /nfs/dbraw/zinc/93/43/83/1195934383.db2.gz DQAXANOGBANRMW-UHFFFAOYSA-N 0 3 396.513 0.569 20 0 GCADHN CN(C)[C@H]1CCC[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000487414446 1195937767 /nfs/dbraw/zinc/93/77/67/1195937767.db2.gz WRHPERMAZSTBDF-STQMWFEESA-N 0 3 390.469 0.700 20 0 GCADHN C[C@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000442023280 1195943799 /nfs/dbraw/zinc/94/37/99/1195943799.db2.gz KFCLALVHQROXMM-PFUSGODGSA-N 0 3 396.513 0.719 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@H](CC(N)=O)C2CCOCC2)c1 ZINC000442147571 1195958405 /nfs/dbraw/zinc/95/84/05/1195958405.db2.gz BISZBQHVNKXPJD-MRXNPFEDSA-N 0 3 376.457 0.474 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CCn1nc2ccccn2c1=O ZINC000521071900 1195959867 /nfs/dbraw/zinc/95/98/67/1195959867.db2.gz FREYTBKPXVBIPY-UHFFFAOYSA-N 0 3 391.472 0.618 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)[C@H]3CCNC3=O)c2)CC1 ZINC000442258040 1195966903 /nfs/dbraw/zinc/96/69/03/1195966903.db2.gz OTENKERNQUDPRY-KRWDZBQOSA-N 0 3 387.484 0.502 20 0 GCADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3C[C@@H](F)C[C@H]3CO)cn2)CC1 ZINC000442260348 1195967206 /nfs/dbraw/zinc/96/72/06/1195967206.db2.gz CPGWISSCWIBTPB-JSGCOSHPSA-N 0 3 380.420 0.424 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCc3cc4ccccc4o3)C2)nn1 ZINC000521217987 1195979243 /nfs/dbraw/zinc/97/92/43/1195979243.db2.gz RSARFDJVJYAFLZ-HNNXBMFYSA-N 0 3 382.424 0.963 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)C1=CCN(C)CC1 ZINC000442340981 1195979285 /nfs/dbraw/zinc/97/92/85/1195979285.db2.gz IQJLKIXRKAGAHE-AWEZNQCLSA-N 0 3 388.468 0.859 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)NCc1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc(=O)[n-]1 ZINC000984134367 1195979893 /nfs/dbraw/zinc/97/98/93/1195979893.db2.gz NUDJBUARGFFFMB-LGIULTMTSA-N 0 3 391.472 0.180 20 0 GCADHN C[C@@H]1CCO[C@@H]1C(=O)NCc1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc(=O)[n-]1 ZINC000984134367 1195979894 /nfs/dbraw/zinc/97/98/94/1195979894.db2.gz NUDJBUARGFFFMB-LGIULTMTSA-N 0 3 391.472 0.180 20 0 GCADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000550457965 1195980629 /nfs/dbraw/zinc/98/06/29/1195980629.db2.gz JOMYTNANFOTWCX-IRXDYDNUSA-N 0 3 382.549 0.696 20 0 GCADHN CCO[C@@H](C)c1noc(CN(C)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)n1 ZINC000521281162 1195983670 /nfs/dbraw/zinc/98/36/70/1195983670.db2.gz KCGPVVVHTULLGX-YVEFUNNKSA-N 0 3 399.517 0.679 20 0 GCADHN CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001745909986 1195985096 /nfs/dbraw/zinc/98/50/96/1195985096.db2.gz QQQWUCZGTGEXMR-CABCVRRESA-N 0 3 391.520 0.628 20 0 GCADHN C[C@@H]1[C@H](C(=O)NCc2nc(CNC(=O)[C@]34C[C@H]3CCC4)cc(=O)[n-]2)CC[N@@H+]1C ZINC000984140643 1195985834 /nfs/dbraw/zinc/98/58/34/1195985834.db2.gz PPBGDOHPHQJHBT-ZCVOSGHJSA-N 0 3 387.484 0.945 20 0 GCADHN C[C@@H]1[C@H](C(=O)NCc2nc(CNC(=O)[C@]34C[C@H]3CCC4)cc(=O)[n-]2)CC[N@H+]1C ZINC000984140643 1195985836 /nfs/dbraw/zinc/98/58/36/1195985836.db2.gz PPBGDOHPHQJHBT-ZCVOSGHJSA-N 0 3 387.484 0.945 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C(=O)N1CCCC[C@H]1C ZINC000521472861 1195998350 /nfs/dbraw/zinc/99/83/50/1195998350.db2.gz KUAWZOZRRBMQEM-GLJUWKHASA-N 0 3 384.546 0.446 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000521505426 1195999367 /nfs/dbraw/zinc/99/93/67/1195999367.db2.gz OXOIQFHFQOAPJG-WBVHZDCISA-N 0 3 388.468 0.835 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000521512599 1195999625 /nfs/dbraw/zinc/99/96/25/1195999625.db2.gz WRANMVXXLSFICK-INIZCTEOSA-N 0 3 398.504 0.646 20 0 GCADHN CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000665291997 1196000750 /nfs/dbraw/zinc/00/07/50/1196000750.db2.gz QDLNAADRKSODHV-VWNJHIHFSA-N 0 3 378.477 0.100 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)c(OC)c1 ZINC000442753220 1196002412 /nfs/dbraw/zinc/00/24/12/1196002412.db2.gz UNZJCMZUOILAED-UHFFFAOYSA-N 0 3 386.470 0.464 20 0 GCADHN CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NCCC(=O)N2CCOCC2)C1=O ZINC000442779384 1196003156 /nfs/dbraw/zinc/00/31/56/1196003156.db2.gz DFNWMCRIWYEHDX-NVXWUHKLSA-N 0 3 397.516 0.792 20 0 GCADHN CNS(=O)(=O)CCCN[C@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O ZINC000442797789 1196004702 /nfs/dbraw/zinc/00/47/02/1196004702.db2.gz XXWJEZIOAZDSHH-KBPBESRZSA-N 0 3 391.534 0.483 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@](C)(NCC(=O)OC(C)(C)C)C2)CC1=O ZINC000442843602 1196006079 /nfs/dbraw/zinc/00/60/79/1196006079.db2.gz QHDFKUUECCCJQU-QRWLVFNGSA-N 0 3 396.532 0.319 20 0 GCADHN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CCN2C(=O)CCC2=O)C1 ZINC000142428844 1196012843 /nfs/dbraw/zinc/01/28/43/1196012843.db2.gz KGRZBYXLOBGJFI-CQSZACIVSA-N 0 3 396.488 0.488 20 0 GCADHN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CCN2C(=O)CCC2=O)C1 ZINC000142429020 1196012968 /nfs/dbraw/zinc/01/29/68/1196012968.db2.gz KGRZBYXLOBGJFI-AWEZNQCLSA-N 0 3 396.488 0.488 20 0 GCADHN C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1nnc2n1CCC2 ZINC000521720332 1196013332 /nfs/dbraw/zinc/01/33/32/1196013332.db2.gz QFIBPEDVMMIXEX-AWEZNQCLSA-N 0 3 375.477 0.235 20 0 GCADHN COc1cccc(C[C@H](O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000443041164 1196017056 /nfs/dbraw/zinc/01/70/56/1196017056.db2.gz AHTZOOCIJSCGOK-ROUUACIJSA-N 0 3 375.469 0.364 20 0 GCADHN COc1cccc(C[C@@H](O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000443041167 1196017149 /nfs/dbraw/zinc/01/71/49/1196017149.db2.gz AHTZOOCIJSCGOK-ZWKOTPCHSA-N 0 3 375.469 0.364 20 0 GCADHN Cn1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(C(F)(F)F)n1 ZINC000443111559 1196019879 /nfs/dbraw/zinc/01/98/79/1196019879.db2.gz PXGIYTGZIJMUTQ-UHFFFAOYSA-N 0 3 390.410 0.520 20 0 GCADHN C[C@H](C1CC1)n1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cn1 ZINC000443124321 1196021222 /nfs/dbraw/zinc/02/12/22/1196021222.db2.gz BEVKVFNERRAJQH-CQSZACIVSA-N 0 3 376.505 0.935 20 0 GCADHN C[C@@H](C1CC1)n1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cn1 ZINC000443124320 1196021511 /nfs/dbraw/zinc/02/15/11/1196021511.db2.gz BEVKVFNERRAJQH-AWEZNQCLSA-N 0 3 376.505 0.935 20 0 GCADHN O=C([C@H]1CNCc2ccccc21)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000521872107 1196021922 /nfs/dbraw/zinc/02/19/22/1196021922.db2.gz XATOZBMNSGCKBU-AEFFLSMTSA-N 0 3 393.509 0.526 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)nn1-c1ccccc1 ZINC000443130137 1196021990 /nfs/dbraw/zinc/02/19/90/1196021990.db2.gz OQIBEISEBYHFQX-UHFFFAOYSA-N 0 3 398.511 1.261 20 0 GCADHN C[C@H]1CN(C(C)(C)CNC(=O)NC2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000521901933 1196023845 /nfs/dbraw/zinc/02/38/45/1196023845.db2.gz CZQGKENPTXABPJ-HOTGVXAUSA-N 0 3 397.564 0.726 20 0 GCADHN C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000443237099 1196028993 /nfs/dbraw/zinc/02/89/93/1196028993.db2.gz BOPNEGGGSHWWRL-WBMJQRKESA-N 0 3 389.456 0.134 20 0 GCADHN CN(C(=O)c1ccc(NCc2cn(C)c(=O)n(C)c2=O)cc1)[C@H]1CCCN(C)C1 ZINC000367039784 1196029855 /nfs/dbraw/zinc/02/98/55/1196029855.db2.gz AGAVNVTUCJSFOV-SFHVURJKSA-N 0 3 399.495 0.862 20 0 GCADHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000443253927 1196031649 /nfs/dbraw/zinc/03/16/49/1196031649.db2.gz HGWZEDNTZJYLLB-WFASDCNBSA-N 0 3 389.456 0.276 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1C ZINC000443270188 1196032351 /nfs/dbraw/zinc/03/23/51/1196032351.db2.gz DCVGZTAFFLEXHI-UHFFFAOYSA-N 0 3 391.472 0.548 20 0 GCADHN CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000522013440 1196034233 /nfs/dbraw/zinc/03/42/33/1196034233.db2.gz DELSGCLZFHMAHF-BFHYXJOUSA-N 0 3 376.461 0.199 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)nn1 ZINC000522005169 1196035054 /nfs/dbraw/zinc/03/50/54/1196035054.db2.gz VXLFDEPWCRSKPR-IBGZPJMESA-N 0 3 386.456 0.915 20 0 GCADHN N[C@@H]1C[C@@H]2CN(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)CCN2C1=O ZINC000522014452 1196035868 /nfs/dbraw/zinc/03/58/68/1196035868.db2.gz NCUPBKYXWLKTID-IAGOWNOFSA-N 0 3 391.903 0.232 20 0 GCADHN Cc1sc2ncn(CCC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c(=O)c2c1C ZINC000522015097 1196036433 /nfs/dbraw/zinc/03/64/33/1196036433.db2.gz SAXHTPPPJPHEBH-QWHCGFSZSA-N 0 3 389.481 0.235 20 0 GCADHN CC1CCN(C[C@@H](O)CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CC1 ZINC000443296620 1196036649 /nfs/dbraw/zinc/03/66/49/1196036649.db2.gz POIPLFCZQVWRQP-LBPRGKRZSA-N 0 3 396.469 0.412 20 0 GCADHN COC(=O)c1c(F)cccc1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000443292914 1196036707 /nfs/dbraw/zinc/03/67/07/1196036707.db2.gz INKLXOJBCRCAPP-CYBMUJFWSA-N 0 3 388.461 0.983 20 0 GCADHN COC(=O)c1ccc(F)cc1S(=O)(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000443297544 1196037098 /nfs/dbraw/zinc/03/70/98/1196037098.db2.gz NPUURKVZYKDQNE-CQSZACIVSA-N 0 3 388.461 0.983 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000443303418 1196037692 /nfs/dbraw/zinc/03/76/92/1196037692.db2.gz RRMXIGNKPLUIOR-OAHLLOKOSA-N 0 3 379.482 0.899 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1cccc(OCC(N)=O)c1 ZINC000474043079 1196041155 /nfs/dbraw/zinc/04/11/55/1196041155.db2.gz YXMBZKLHOMLUAC-OAHLLOKOSA-N 0 3 377.489 0.376 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[C@](C)(C(N)=O)C1 ZINC000280846123 1196048528 /nfs/dbraw/zinc/04/85/28/1196048528.db2.gz XPVXAOMIMDPRPP-JKDFXYPNSA-N 0 3 382.486 0.097 20 0 GCADHN C[C@H](NC(=O)[C@H](C)N1CC[C@](C)(C(N)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000280846136 1196048638 /nfs/dbraw/zinc/04/86/38/1196048638.db2.gz XPVXAOMIMDPRPP-PRXAMGSTSA-N 0 3 382.486 0.097 20 0 GCADHN O=C(NCCN1CCS(=O)(=O)CC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522203683 1196058982 /nfs/dbraw/zinc/05/89/82/1196058982.db2.gz YVQRRMXOSIMKRY-QGZVFWFLSA-N 0 3 380.514 0.140 20 0 GCADHN Cc1ccnc(-n2nccc2NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000429679267 1196060191 /nfs/dbraw/zinc/06/01/91/1196060191.db2.gz PUFYGCRARHEPHW-UHFFFAOYSA-N 0 3 385.472 0.268 20 0 GCADHN O=C(NCc1nnnn1CC1CC1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000474090339 1196069346 /nfs/dbraw/zinc/06/93/46/1196069346.db2.gz RKCIIKXPPUATSQ-ZWKOTPCHSA-N 0 3 399.499 0.765 20 0 GCADHN COc1cc(CN2C[C@H](O)C[C@@]2(C)CO)ccc1OCC(=O)N1CCOCC1 ZINC000895327691 1196082862 /nfs/dbraw/zinc/08/28/62/1196082862.db2.gz PHBOPBCCWFDKDR-UZLBHIALSA-N 0 3 394.468 0.250 20 0 GCADHN COc1nccc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n1 ZINC000984417144 1196085640 /nfs/dbraw/zinc/08/56/40/1196085640.db2.gz VXNNYINIMSEZBI-XPYWIHLFSA-N 0 3 376.457 0.521 20 0 GCADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C1 ZINC000522373766 1196086945 /nfs/dbraw/zinc/08/69/45/1196086945.db2.gz QEVLLIMMJGUEFZ-ZBFHGGJFSA-N 0 3 391.497 0.872 20 0 GCADHN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000113880949 1196093096 /nfs/dbraw/zinc/09/30/96/1196093096.db2.gz UGNYFLNBOGMPLP-OAHLLOKOSA-N 0 3 389.500 0.990 20 0 GCADHN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000114166691 1196095466 /nfs/dbraw/zinc/09/54/66/1196095466.db2.gz RWEWEYUIVYWDHV-MRXNPFEDSA-N 0 3 392.475 0.701 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000114140637 1196095574 /nfs/dbraw/zinc/09/55/74/1196095574.db2.gz CLBRMPHKTQJHPK-INIZCTEOSA-N 0 3 393.532 0.940 20 0 GCADHN Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)CN2CC[C@@H](O)[C@@H](O)C2)cnn1C ZINC000895459435 1196096971 /nfs/dbraw/zinc/09/69/71/1196096971.db2.gz CKJSXZDOQFUNEM-UAGQMJEPSA-N 0 3 382.505 0.839 20 0 GCADHN CC[C@@H](O)[C@H]1CCCCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000114460205 1196099805 /nfs/dbraw/zinc/09/98/05/1196099805.db2.gz ILXCKTNWYWKPIO-IAGOWNOFSA-N 0 3 382.549 0.671 20 0 GCADHN NC(=O)C1(N2CCCCC2)CCN(Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000895553241 1196101249 /nfs/dbraw/zinc/10/12/49/1196101249.db2.gz ZFQZWNYNESRLDA-QGZVFWFLSA-N 0 3 376.505 0.763 20 0 GCADHN NC(=O)C1(N2CCCCC2)CCN(Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000895553240 1196101324 /nfs/dbraw/zinc/10/13/24/1196101324.db2.gz ZFQZWNYNESRLDA-KRWDZBQOSA-N 0 3 376.505 0.763 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000443722263 1196103730 /nfs/dbraw/zinc/10/37/30/1196103730.db2.gz VCFZPPSRTGZIKT-UHFFFAOYSA-N 0 3 382.486 0.084 20 0 GCADHN COc1ccc([C@@H](NC(C)C)C(=O)N2CCN(C(=O)CN(C)C)CC2)cc1 ZINC000895629292 1196105336 /nfs/dbraw/zinc/10/53/36/1196105336.db2.gz PRGQKESXLAQSTD-LJQANCHMSA-N 0 3 376.501 0.967 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000114602615 1196105941 /nfs/dbraw/zinc/10/59/41/1196105941.db2.gz WLKIIWNMOWFNIC-RTBURBONSA-N 0 3 376.501 0.334 20 0 GCADHN Cc1nc(C)c(CCNC(=O)NCCCCN2CCN(CCO)CC2)s1 ZINC000114597417 1196106077 /nfs/dbraw/zinc/10/60/77/1196106077.db2.gz NYMNVDZGKDLCIV-UHFFFAOYSA-N 0 3 383.562 0.992 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@H]1CCN(c2ccccc2)C1 ZINC000114596811 1196106093 /nfs/dbraw/zinc/10/60/93/1196106093.db2.gz WIBCELTYSSRPBV-IBGZPJMESA-N 0 3 389.544 0.955 20 0 GCADHN CC(C)N1C(=S)N=NC1CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000895674275 1196106709 /nfs/dbraw/zinc/10/67/09/1196106709.db2.gz DZLQVRUVRPVOKD-ZIAGYGMSSA-N 0 3 382.534 0.931 20 0 GCADHN O=C(NCCC1N=NC(=S)N1C1CC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000895676385 1196106788 /nfs/dbraw/zinc/10/67/88/1196106788.db2.gz SOCHKQNABKVOCK-UONOGXRCSA-N 0 3 380.518 0.685 20 0 GCADHN O=C1NCC2(CCOCC2)[C@@H]1NCc1ccc(OCCN2CCOCC2)cc1 ZINC000895767433 1196111559 /nfs/dbraw/zinc/11/15/59/1196111559.db2.gz YRKLXKCAUBLQAV-LJQANCHMSA-N 0 3 389.496 0.782 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NC2CCN(CCOC)CC2)C1 ZINC000522434087 1196111726 /nfs/dbraw/zinc/11/17/26/1196111726.db2.gz SNYHJWGVFSXZAA-JKSUJKDBSA-N 0 3 384.521 0.670 20 0 GCADHN O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000895841778 1196114094 /nfs/dbraw/zinc/11/40/94/1196114094.db2.gz IBYFKRAXTVCUHC-FCGDIQPGSA-N 0 3 392.544 0.870 20 0 GCADHN CCn1cc(CN(CCO)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)cn1 ZINC000474447060 1196118285 /nfs/dbraw/zinc/11/82/85/1196118285.db2.gz CFBOPPVTDKVVNF-QGZVFWFLSA-N 0 3 380.537 0.681 20 0 GCADHN CN(OCC(F)(F)F)C(=O)CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000895930957 1196119027 /nfs/dbraw/zinc/11/90/27/1196119027.db2.gz RQXDGWJBUKKWSJ-RYUDHWBXSA-N 0 3 382.383 0.179 20 0 GCADHN COc1ccc([C@@H](NC(C)C)C(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000896005421 1196122005 /nfs/dbraw/zinc/12/20/05/1196122005.db2.gz DKQRFUAGNGCXHQ-QGZVFWFLSA-N 0 3 399.513 0.513 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000522445074 1196122917 /nfs/dbraw/zinc/12/29/17/1196122917.db2.gz SMBLRVRGNCPQKX-GJZGRUSLSA-N 0 3 382.509 0.019 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)CNS(=O)(=O)c2cnn(C)c2)N(C)C)cc1 ZINC000116026897 1196128481 /nfs/dbraw/zinc/12/84/81/1196128481.db2.gz LAAIKCRMZLQBJX-MRXNPFEDSA-N 0 3 379.486 0.426 20 0 GCADHN O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000896158193 1196129165 /nfs/dbraw/zinc/12/91/65/1196129165.db2.gz VIJZFVCZSQWZRS-DLBZAZTESA-N 0 3 395.500 0.454 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)CC1 ZINC000896162116 1196130800 /nfs/dbraw/zinc/13/08/00/1196130800.db2.gz AQHNXWFONWWXFN-DLBZAZTESA-N 0 3 397.516 0.700 20 0 GCADHN Cn1cc(CN2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)c(=O)n(C)c1=O ZINC000896167425 1196131614 /nfs/dbraw/zinc/13/16/14/1196131614.db2.gz GXDCARLPMZBRPW-IBGZPJMESA-N 0 3 394.472 0.296 20 0 GCADHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000098035942 1196146768 /nfs/dbraw/zinc/14/67/68/1196146768.db2.gz PBNWJAUFMUEVHS-UHFFFAOYSA-N 0 3 376.436 0.709 20 0 GCADHN CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000474784884 1196149724 /nfs/dbraw/zinc/14/97/24/1196149724.db2.gz OQPZMXPGAIROCC-OAHLLOKOSA-N 0 3 382.530 0.741 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12 ZINC000474797585 1196150134 /nfs/dbraw/zinc/15/01/34/1196150134.db2.gz FWZIOMQNOCIGPV-CBZIJGRNSA-N 0 3 397.589 0.854 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000474787172 1196150647 /nfs/dbraw/zinc/15/06/47/1196150647.db2.gz FWZIOMQNOCIGPV-OVWQWFNUSA-N 0 3 397.589 0.854 20 0 GCADHN CCC1(CC)NC(=O)N(CC(=O)NC(C)(C)CCN2CCN(C)CC2)C1=O ZINC000474807588 1196152042 /nfs/dbraw/zinc/15/20/42/1196152042.db2.gz DJENUTUWHCXRTR-UHFFFAOYSA-N 0 3 381.521 0.629 20 0 GCADHN Cc1nc2sccn2c(=O)c1CCN1CCC2(CC1)NC(=O)N(C)C2=O ZINC000329037445 1196158110 /nfs/dbraw/zinc/15/81/10/1196158110.db2.gz ZHCFUWDWJWCSCB-UHFFFAOYSA-N 0 3 375.454 0.828 20 0 GCADHN C[C@@H](NC(=O)CNC(=O)c1cnc2ccccc2c1O)[C@H]1CN(C)CCN1C ZINC000896573019 1196168022 /nfs/dbraw/zinc/16/80/22/1196168022.db2.gz WLQXYLZNCBUGMU-CXAGYDPISA-N 0 3 385.468 0.008 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000329174364 1196171890 /nfs/dbraw/zinc/17/18/90/1196171890.db2.gz LCFPRFRXQGSXQK-IAGOWNOFSA-N 0 3 381.498 0.595 20 0 GCADHN CC(=O)N1CC[C@@H](N[C@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000329176448 1196172259 /nfs/dbraw/zinc/17/22/59/1196172259.db2.gz MWCPEMFSUTWFIS-RHSMWYFYSA-N 0 3 381.498 0.979 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)CC1 ZINC000474878036 1196185433 /nfs/dbraw/zinc/18/54/33/1196185433.db2.gz OPNGJXUSGGKJIJ-MRXNPFEDSA-N 0 3 379.505 0.908 20 0 GCADHN C[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CCCCCC1 ZINC000329384699 1196191290 /nfs/dbraw/zinc/19/12/90/1196191290.db2.gz PNAMENSROHPMGY-IAGOWNOFSA-N 0 3 387.546 0.904 20 0 GCADHN CS(=O)(=O)c1ccccc1CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000896649563 1196191658 /nfs/dbraw/zinc/19/16/58/1196191658.db2.gz FHKUWQGPOXXVDY-SJORKVTESA-N 0 3 395.525 0.873 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC000329461374 1196198324 /nfs/dbraw/zinc/19/83/24/1196198324.db2.gz SQAHGEBIQMUTQR-KZNAEPCWSA-N 0 3 378.517 0.252 20 0 GCADHN CCc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000329470308 1196199301 /nfs/dbraw/zinc/19/93/01/1196199301.db2.gz YTDMETHPOXSOIV-WFASDCNBSA-N 0 3 385.468 0.361 20 0 GCADHN CCc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cnc2c1c(=O)n(C)c(=O)n2C ZINC000329470307 1196199600 /nfs/dbraw/zinc/19/96/00/1196199600.db2.gz YTDMETHPOXSOIV-SWLSCSKDSA-N 0 3 385.468 0.361 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CO1 ZINC000896710980 1196200806 /nfs/dbraw/zinc/20/08/06/1196200806.db2.gz BOLREQCEHYUQHQ-ZNMIVQPWSA-N 0 3 384.477 0.778 20 0 GCADHN C[C@H]1CN(CCC2CCN(C(=O)CN3CCN(C)C(=O)C3)CC2)C[C@H](C)O1 ZINC000329601415 1196208853 /nfs/dbraw/zinc/20/88/53/1196208853.db2.gz KOVLWGSGXHVMBI-IRXDYDNUSA-N 0 3 380.533 0.498 20 0 GCADHN O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329603143 1196209136 /nfs/dbraw/zinc/20/91/36/1196209136.db2.gz YJGOIRKGLFWRLV-IRXDYDNUSA-N 0 3 385.530 0.514 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000475009468 1196211707 /nfs/dbraw/zinc/21/17/07/1196211707.db2.gz ZZPYYMSPDXVBRB-KRWDZBQOSA-N 0 3 381.521 0.441 20 0 GCADHN CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000329651813 1196215914 /nfs/dbraw/zinc/21/59/14/1196215914.db2.gz KLWVKFPDRPTYID-OAHLLOKOSA-N 0 3 389.504 0.277 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(CC(=O)N4CCCCC4)C[C@H]3C2)O1 ZINC001088011979 1196216982 /nfs/dbraw/zinc/21/69/82/1196216982.db2.gz NBWKPMSDERHTKW-AKHDSKFASA-N 0 3 392.544 0.498 20 0 GCADHN CCN(CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc2n1CCOC2 ZINC001719897629 1196221108 /nfs/dbraw/zinc/22/11/08/1196221108.db2.gz JOQDJCHGEIGYRN-KFWWJZLASA-N 0 3 375.473 0.617 20 0 GCADHN CCN(CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnn(C(C)(C)C)n1 ZINC001719898103 1196226487 /nfs/dbraw/zinc/22/64/87/1196226487.db2.gz QRMDLXIVPBLUEP-MCIONIFRSA-N 0 3 377.493 0.632 20 0 GCADHN O=C(c1ccc(N2CC[C@H](N3CC=CC3)C2)nc1)N1CCS(=O)(=O)CC1 ZINC000329832944 1196233328 /nfs/dbraw/zinc/23/33/28/1196233328.db2.gz GDKNRPIJMOQHHN-INIZCTEOSA-N 0 3 376.482 0.403 20 0 GCADHN CO[C@H]1C[C@H](C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)N(C(C)=O)C1 ZINC000329890115 1196236908 /nfs/dbraw/zinc/23/69/08/1196236908.db2.gz FPZPMQGEZBTWHE-VVWQDTPRSA-N 0 3 381.517 0.970 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000329930115 1196240296 /nfs/dbraw/zinc/24/02/96/1196240296.db2.gz ZJXFFDROUQKYNK-HOTGVXAUSA-N 0 3 387.546 0.760 20 0 GCADHN Cc1cc(NC(=O)CN[C@@H]2CCC[C@]2(C)CO)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000329952369 1196241893 /nfs/dbraw/zinc/24/18/93/1196241893.db2.gz NEBNALJLHVIBPJ-CKEIUWERSA-N 0 3 384.502 0.630 20 0 GCADHN Cn1nccc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001088050005 1196246283 /nfs/dbraw/zinc/24/62/83/1196246283.db2.gz JTBSDGIMKCHQJZ-YYIAUSFCSA-N 0 3 386.500 0.329 20 0 GCADHN Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330015785 1196246488 /nfs/dbraw/zinc/24/64/88/1196246488.db2.gz ONVFETIQSNVNKB-INIZCTEOSA-N 0 3 399.499 0.601 20 0 GCADHN CC(C)N1CCCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000330029422 1196247563 /nfs/dbraw/zinc/24/75/63/1196247563.db2.gz PYRJSXBVDGHSEW-SFHVURJKSA-N 0 3 380.489 0.749 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2C)OCO3)CC1 ZINC000330053748 1196248957 /nfs/dbraw/zinc/24/89/57/1196248957.db2.gz QXGLCHYSKGHPDD-UHFFFAOYSA-N 0 3 397.497 0.898 20 0 GCADHN CN(C)Cc1ccc(N2CCN(C(=O)[C@H]3CCCCS3(=O)=O)CC2)nc1 ZINC000330089735 1196251991 /nfs/dbraw/zinc/25/19/91/1196251991.db2.gz OXWBCNGUIQQJMX-MRXNPFEDSA-N 0 3 380.514 0.759 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCC2)CC1 ZINC000330100676 1196253261 /nfs/dbraw/zinc/25/32/61/1196253261.db2.gz DQIWCWBKNBZERA-HOTGVXAUSA-N 0 3 394.541 0.453 20 0 GCADHN CCCC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330136965 1196255183 /nfs/dbraw/zinc/25/51/83/1196255183.db2.gz UPHJQGNPYQXHMP-CABCVRRESA-N 0 3 382.530 0.453 20 0 GCADHN C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330133129 1196255295 /nfs/dbraw/zinc/25/52/95/1196255295.db2.gz QXPHSYZPDITMEC-GOEBONIOSA-N 0 3 379.505 0.387 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 ZINC000330140075 1196255711 /nfs/dbraw/zinc/25/57/11/1196255711.db2.gz WRNIYAPVJFZTSW-HUUCEWRRSA-N 0 3 396.557 0.699 20 0 GCADHN CO[C@H](C)c1noc(CCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000330156762 1196256626 /nfs/dbraw/zinc/25/66/26/1196256626.db2.gz PAJLCNPDGTYVRW-KGLIPLIRSA-N 0 3 379.461 0.475 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000330161575 1196257029 /nfs/dbraw/zinc/25/70/29/1196257029.db2.gz TVVUCNVRVVZQLT-CVEARBPZSA-N 0 3 390.488 0.690 20 0 GCADHN COCC[C@@H](CO)NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000281051536 1196272893 /nfs/dbraw/zinc/27/28/93/1196272893.db2.gz SKYLSRWYHAIXHP-IBGZPJMESA-N 0 3 378.517 0.891 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000281080745 1196276286 /nfs/dbraw/zinc/27/62/86/1196276286.db2.gz LIUNJOGAMBZVGN-NRFANRHFSA-N 0 3 388.512 0.797 20 0 GCADHN CN1CCC(NC(=O)c2cn3c(n2)CN(C(=O)c2csnn2)CC3)CC1 ZINC001271231792 1196282506 /nfs/dbraw/zinc/28/25/06/1196282506.db2.gz YCDFVKIZIPJERD-UHFFFAOYSA-N 0 3 375.458 0.215 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000281224121 1196284129 /nfs/dbraw/zinc/28/41/29/1196284129.db2.gz MLQVJAPZVVXWDJ-HNNXBMFYSA-N 0 3 383.514 0.904 20 0 GCADHN CN(C)CCN1CCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)CC1=O ZINC000896891226 1196288207 /nfs/dbraw/zinc/28/82/07/1196288207.db2.gz KOQNNEJFFPNLGS-UHFFFAOYSA-N 0 3 383.493 0.459 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000281473419 1196299136 /nfs/dbraw/zinc/29/91/36/1196299136.db2.gz GKLHBTBYDWJFTL-OAHLLOKOSA-N 0 3 382.486 0.007 20 0 GCADHN C[C@@H]1NC(C(=O)NCCN2CCN(C)C(C)(C)C2)=NN(c2ccccc2)C1=O ZINC000281671991 1196318711 /nfs/dbraw/zinc/31/87/11/1196318711.db2.gz DKEJTIVLAOMTHG-HNNXBMFYSA-N 0 3 386.500 0.467 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000281672246 1196318987 /nfs/dbraw/zinc/31/89/87/1196318987.db2.gz UAWZYVLICLLWMP-CXAGYDPISA-N 0 3 381.498 0.512 20 0 GCADHN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C1=CCN(C)CC1 ZINC000281674488 1196319038 /nfs/dbraw/zinc/31/90/38/1196319038.db2.gz UFKMWSGGSRTRGA-CQSZACIVSA-N 0 3 381.498 0.680 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)c3cc4scnc4[nH]3)C2)OCC1=O ZINC001271336393 1196320057 /nfs/dbraw/zinc/32/00/57/1196320057.db2.gz FENOJQWMMKQFFA-QGZVFWFLSA-N 0 3 377.470 0.630 20 0 GCADHN CN(CCCN1CCCC1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000281694756 1196323386 /nfs/dbraw/zinc/32/33/86/1196323386.db2.gz ZGBONRJIAZKKCW-UHFFFAOYSA-N 0 3 381.458 0.141 20 0 GCADHN CN1CCN(CCNC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1(C)C ZINC000281695905 1196323459 /nfs/dbraw/zinc/32/34/59/1196323459.db2.gz GMQWNZASUMGBHY-UHFFFAOYSA-N 0 3 387.484 0.634 20 0 GCADHN CN(C)C(=O)COc1ccccc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281720804 1196325432 /nfs/dbraw/zinc/32/54/32/1196325432.db2.gz INYHHYMLKWDLDD-UHFFFAOYSA-N 0 3 376.501 0.909 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1(C)C ZINC000281764914 1196329764 /nfs/dbraw/zinc/32/97/64/1196329764.db2.gz AUDPAONTINGHRR-UHFFFAOYSA-N 0 3 399.499 0.407 20 0 GCADHN CCOC(=O)Cc1nnc(NC(=O)NCCN2CCN(C)C(C)(C)C2)s1 ZINC000281774315 1196330811 /nfs/dbraw/zinc/33/08/11/1196330811.db2.gz KEDAOBAICOCQMU-UHFFFAOYSA-N 0 3 384.506 0.791 20 0 GCADHN CN1CCN(CCNC(=O)CCNS(=O)(=O)c2ccccc2)CC1(C)C ZINC000281792380 1196332453 /nfs/dbraw/zinc/33/24/53/1196332453.db2.gz OBHNQRCDIIMDRO-UHFFFAOYSA-N 0 3 382.530 0.497 20 0 GCADHN COCCN(C)CCNC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281792183 1196334602 /nfs/dbraw/zinc/33/46/02/1196334602.db2.gz NDEZSVILTHVBNO-MOPGFXCFSA-N 0 3 376.501 0.859 20 0 GCADHN CN(C)CCN1C[C@]2(CCN(C(=O)c3cn4ccnc4s3)C2)OCC1=O ZINC001271372768 1196342176 /nfs/dbraw/zinc/34/21/76/1196342176.db2.gz NLOOMJRIKHNUSL-KRWDZBQOSA-N 0 3 377.470 0.401 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281861511 1196342411 /nfs/dbraw/zinc/34/24/11/1196342411.db2.gz VMFSOHYNSCEDSQ-UHFFFAOYSA-N 0 3 388.520 0.398 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc3c2OCCO3)CC1(C)C ZINC000281869685 1196342783 /nfs/dbraw/zinc/34/27/83/1196342783.db2.gz HCZOXGBTAHUATQ-UHFFFAOYSA-N 0 3 376.457 0.539 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281877938 1196343412 /nfs/dbraw/zinc/34/34/12/1196343412.db2.gz WZJGHWQVTADKNM-UHFFFAOYSA-N 0 3 384.502 0.098 20 0 GCADHN Cc1nc(C)c(CC(=O)N2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)s1 ZINC001271379413 1196344475 /nfs/dbraw/zinc/34/44/75/1196344475.db2.gz IANCOPCLKIWGOX-GOSISDBHSA-N 0 3 380.514 0.694 20 0 GCADHN O=C([C@@H]1C[C@H]1c1cccnc1)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001088115659 1196366689 /nfs/dbraw/zinc/36/66/89/1196366689.db2.gz GVAFXUMIHQWUEN-YDZRNGNQSA-N 0 3 383.496 0.991 20 0 GCADHN Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cn1C ZINC000522955905 1196369612 /nfs/dbraw/zinc/36/96/12/1196369612.db2.gz SBOJATDPSZWEPH-INIZCTEOSA-N 0 3 391.497 0.398 20 0 GCADHN O=C(CN1CCN(C(=O)CN2CCCC2)CC1)NCCOc1cccc(F)c1 ZINC000103150451 1196373946 /nfs/dbraw/zinc/37/39/46/1196373946.db2.gz DMWDPEPJQGYCRB-UHFFFAOYSA-N 0 3 392.475 0.561 20 0 GCADHN O=C(CCCNC(=O)c1ccco1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103123700 1196374743 /nfs/dbraw/zinc/37/47/43/1196374743.db2.gz JBZUOZYGYMVOHU-UHFFFAOYSA-N 0 3 376.457 0.556 20 0 GCADHN COc1ccc(CN(C)C(=O)CN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000103230759 1196374757 /nfs/dbraw/zinc/37/47/57/1196374757.db2.gz DXRUQMZABKQFBY-UHFFFAOYSA-N 0 3 388.512 0.894 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000103509776 1196376920 /nfs/dbraw/zinc/37/69/20/1196376920.db2.gz TVMYYKTYUFBVHI-GOSISDBHSA-N 0 3 396.580 0.256 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000103509891 1196377235 /nfs/dbraw/zinc/37/72/35/1196377235.db2.gz LURHEJRTGJKDJI-QGZVFWFLSA-N 0 3 394.564 0.008 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)NCCN3CCOCC3)cc2)CC1 ZINC000042950182 1196378240 /nfs/dbraw/zinc/37/82/40/1196378240.db2.gz RBKVBSRCCQHBIN-UHFFFAOYSA-N 0 3 375.517 0.565 20 0 GCADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[S@](=O)C2)c1 ZINC000475092639 1196378604 /nfs/dbraw/zinc/37/86/04/1196378604.db2.gz FBRXGYAJMXCIOE-QMTYFTJSSA-N 0 3 383.514 0.964 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000104102798 1196379181 /nfs/dbraw/zinc/37/91/81/1196379181.db2.gz NJPYHKVGQFOQSR-UHFFFAOYSA-N 0 3 382.530 0.927 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000104257576 1196381431 /nfs/dbraw/zinc/38/14/31/1196381431.db2.gz OUVIXDVMQNLVBJ-QGZVFWFLSA-N 0 3 380.514 0.857 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000523004689 1196384279 /nfs/dbraw/zinc/38/42/79/1196384279.db2.gz QQWYGXGMGJUAQS-KRWDZBQOSA-N 0 3 381.521 0.047 20 0 GCADHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC2(CC1)C[C@H](O)CNC2=O ZINC000897044251 1196384906 /nfs/dbraw/zinc/38/49/06/1196384906.db2.gz YAYIWTZPOBEMAI-INIZCTEOSA-N 0 3 392.500 0.915 20 0 GCADHN COc1ncc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1C(N)=O ZINC000475183380 1196388342 /nfs/dbraw/zinc/38/83/42/1196388342.db2.gz ANQRXHXJXSVIMP-VXGBXAGGSA-N 0 3 377.445 0.507 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000475184274 1196388420 /nfs/dbraw/zinc/38/84/20/1196388420.db2.gz LVPHLNIVMKYEGR-ZDUSSCGKSA-N 0 3 394.447 0.693 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(n2ncc3c2CNC3)CC1 ZINC000516275155 1196390821 /nfs/dbraw/zinc/39/08/21/1196390821.db2.gz OPQZHOQZVKHGEE-JTQLQIEISA-N 0 3 388.394 0.900 20 0 GCADHN CC(C)C(=O)N[C@@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000101551982 1196416668 /nfs/dbraw/zinc/41/66/68/1196416668.db2.gz GJJZVWHVXUZKNF-QGZVFWFLSA-N 0 3 388.516 0.752 20 0 GCADHN CN1CCN(S(=O)(=O)c2ccc(N3CCN(CC4CC4)CC3)nc2)CC1 ZINC000301064494 1196420425 /nfs/dbraw/zinc/42/04/25/1196420425.db2.gz FGLNPRATHSBCEN-UHFFFAOYSA-N 0 3 379.530 0.550 20 0 GCADHN COCC(COC)N1CCN(C(=O)NCC(C)(C)N2CCN(C)CC2)CC1 ZINC000665694627 1196438233 /nfs/dbraw/zinc/43/82/33/1196438233.db2.gz AKJSZDIXDQBMRP-UHFFFAOYSA-N 0 3 385.553 0.001 20 0 GCADHN CC(CC(=O)NCCN1CCCOCC1)CC(=O)NCCN1CCCOCC1 ZINC000444375848 1196448006 /nfs/dbraw/zinc/44/80/06/1196448006.db2.gz JSIGTBQZXFSAJH-UHFFFAOYSA-N 0 3 398.548 0.080 20 0 GCADHN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103216313 1196451274 /nfs/dbraw/zinc/45/12/74/1196451274.db2.gz HZGVFTQTSZNIRX-QGZVFWFLSA-N 0 3 378.517 0.934 20 0 GCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000665800175 1196469197 /nfs/dbraw/zinc/46/91/97/1196469197.db2.gz DBTRCJSKNUYVGX-UHFFFAOYSA-N 0 3 393.488 0.881 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(OC)c1 ZINC000282009341 1196475354 /nfs/dbraw/zinc/47/53/54/1196475354.db2.gz NWBWMOGXZPSGAW-UHFFFAOYSA-N 0 3 378.473 0.785 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCN1C(=O)CN1CCC(C)CC1 ZINC000985499020 1196481525 /nfs/dbraw/zinc/48/15/25/1196481525.db2.gz WYXAMRVQUCRUSM-XWTMOSNGSA-N 0 3 392.544 0.938 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000114075923 1196495190 /nfs/dbraw/zinc/49/51/90/1196495190.db2.gz KVRBSJHBYBGAPF-SFHVURJKSA-N 0 3 394.541 0.512 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000444510569 1196501631 /nfs/dbraw/zinc/50/16/31/1196501631.db2.gz NUPRKLGJVBPYMB-OAHLLOKOSA-N 0 3 391.472 0.291 20 0 GCADHN CNC(=O)CN1CCC(NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000523240202 1196505294 /nfs/dbraw/zinc/50/52/94/1196505294.db2.gz BCXZZIORRNBXQO-LBPRGKRZSA-N 0 3 386.456 0.008 20 0 GCADHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000444675060 1196513778 /nfs/dbraw/zinc/51/37/78/1196513778.db2.gz QOJWVFBGAOHIOD-WBVHZDCISA-N 0 3 390.484 0.641 20 0 GCADHN C[C@H]1CN(C(=O)CN(C)C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CCO1 ZINC000985551007 1196514817 /nfs/dbraw/zinc/51/48/17/1196514817.db2.gz ODFBAIGUBQJWQD-WRVSEMMVSA-N 0 3 391.512 0.580 20 0 GCADHN CN(CC(=O)N1CCCC1)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000985551456 1196516688 /nfs/dbraw/zinc/51/66/88/1196516688.db2.gz GTXLBASALBCWMD-VDZJLULYSA-N 0 3 379.501 0.583 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1 ZINC000444748538 1196518885 /nfs/dbraw/zinc/51/88/85/1196518885.db2.gz QVKYZOMQSFAMFQ-WMZOPIPTSA-N 0 3 378.498 0.878 20 0 GCADHN C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N(C)CC1(O)CCOCC1 ZINC000444750626 1196519634 /nfs/dbraw/zinc/51/96/34/1196519634.db2.gz HCONUDISEQSNRE-HNNXBMFYSA-N 0 3 378.469 0.978 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC(Cn2cccn2)CC1 ZINC000523475767 1196528404 /nfs/dbraw/zinc/52/84/04/1196528404.db2.gz VJAUYGMTGVWFNE-UHFFFAOYSA-N 0 3 392.548 0.695 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000523529075 1196530576 /nfs/dbraw/zinc/53/05/76/1196530576.db2.gz AYQOHWRIIMHQCX-IRXDYDNUSA-N 0 3 395.529 0.325 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCC2(N(C)C)CCOCC2)ccc1OC ZINC000523568689 1196533580 /nfs/dbraw/zinc/53/35/80/1196533580.db2.gz DTEAHEJQKVXRAI-UHFFFAOYSA-N 0 3 386.470 0.871 20 0 GCADHN CCOC(=O)C1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523626638 1196538098 /nfs/dbraw/zinc/53/80/98/1196538098.db2.gz MBRPDMSFMXJFHW-MRXNPFEDSA-N 0 3 382.505 0.914 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 ZINC000523664603 1196545026 /nfs/dbraw/zinc/54/50/26/1196545026.db2.gz BDGKCCIGYFPUKQ-AWEZNQCLSA-N 0 3 385.534 0.268 20 0 GCADHN C[C@H](CNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)CN1CCN(C)CC1 ZINC000523697315 1196550485 /nfs/dbraw/zinc/55/04/85/1196550485.db2.gz JKEXFKNJHVVPEQ-OAHLLOKOSA-N 0 3 387.484 0.458 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC000523914648 1196567400 /nfs/dbraw/zinc/56/74/00/1196567400.db2.gz JZGVLPZWJMYFHS-KZNAEPCWSA-N 0 3 397.564 0.728 20 0 GCADHN COCCN(C)CCNC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000524035573 1196573128 /nfs/dbraw/zinc/57/31/28/1196573128.db2.gz XNLBRLSLBMEPGO-QGZVFWFLSA-N 0 3 377.489 0.118 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1)CN1CCN(C)CC1 ZINC000524034277 1196573274 /nfs/dbraw/zinc/57/32/74/1196573274.db2.gz UPAFZSZPIOBIAV-INIZCTEOSA-N 0 3 399.499 0.265 20 0 GCADHN COc1cc(C)c(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000524121077 1196577794 /nfs/dbraw/zinc/57/77/94/1196577794.db2.gz JBYDFTDAKCSANT-CQSZACIVSA-N 0 3 399.513 0.878 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)c1 ZINC000445787877 1196590937 /nfs/dbraw/zinc/59/09/37/1196590937.db2.gz VCNZAPLFDXZWSZ-HUUCEWRRSA-N 0 3 382.486 0.509 20 0 GCADHN Cc1[nH]ncc1CCCNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000524494196 1196599714 /nfs/dbraw/zinc/59/97/14/1196599714.db2.gz XYYIVQCQHNEFPT-MRXNPFEDSA-N 0 3 392.504 0.225 20 0 GCADHN COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000445925157 1196599808 /nfs/dbraw/zinc/59/98/08/1196599808.db2.gz LOWWVLSQCHUSQC-UHFFFAOYSA-N 0 3 385.486 0.455 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C)[C@H]1CCCOC1 ZINC000897344264 1196600767 /nfs/dbraw/zinc/60/07/67/1196600767.db2.gz MKFALUXIJZLNOJ-FHWLQOOXSA-N 0 3 391.512 0.833 20 0 GCADHN CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000445930462 1196601177 /nfs/dbraw/zinc/60/11/77/1196601177.db2.gz RMERNJDNDVZZEM-UHFFFAOYSA-N 0 3 398.529 0.970 20 0 GCADHN NC(=O)CCNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000445939624 1196601560 /nfs/dbraw/zinc/60/15/60/1196601560.db2.gz WRKVQQPJFFDHPU-HNNXBMFYSA-N 0 3 384.440 0.260 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000445936302 1196601730 /nfs/dbraw/zinc/60/17/30/1196601730.db2.gz ZEBHKFLYFMNJDF-INIZCTEOSA-N 0 3 391.472 0.946 20 0 GCADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC001719903689 1196605049 /nfs/dbraw/zinc/60/50/49/1196605049.db2.gz DIPFKIMJZWQWHE-HZMVEIRTSA-N 0 3 378.517 0.832 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000446062800 1196609647 /nfs/dbraw/zinc/60/96/47/1196609647.db2.gz OXNOBZSKZPWRBB-HUUCEWRRSA-N 0 3 393.513 0.724 20 0 GCADHN CC(C)[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)N1CCN(C)CC1 ZINC000524744678 1196621324 /nfs/dbraw/zinc/62/13/24/1196621324.db2.gz VGMXOBGPXROLJZ-INIZCTEOSA-N 0 3 385.534 0.267 20 0 GCADHN CSC1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCOCC1 ZINC000524789406 1196625825 /nfs/dbraw/zinc/62/58/25/1196625825.db2.gz ZJUFFJWXUOGOCW-UHFFFAOYSA-N 0 3 384.546 0.848 20 0 GCADHN Cc1cc(C(=O)NCCCCN2CCN(C)CC2)cc(S(N)(=O)=O)c1C ZINC000524819074 1196629054 /nfs/dbraw/zinc/62/90/54/1196629054.db2.gz ZJKYVGIKJQNKSO-UHFFFAOYSA-N 0 3 382.530 0.708 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000446256337 1196629151 /nfs/dbraw/zinc/62/91/51/1196629151.db2.gz APHHGLGMUKIIOU-GMBSWORKSA-N 0 3 391.472 0.213 20 0 GCADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446275124 1196629988 /nfs/dbraw/zinc/62/99/88/1196629988.db2.gz JRELYODKWZANTO-LLKNDRQVSA-N 0 3 378.517 0.330 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000446286088 1196630544 /nfs/dbraw/zinc/63/05/44/1196630544.db2.gz BBUYGHZSUBCNFE-MDYRTPRTSA-N 0 3 378.517 0.286 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000446287172 1196631146 /nfs/dbraw/zinc/63/11/46/1196631146.db2.gz HJXUEILAMLZTGS-HDMKZQKVSA-N 0 3 385.530 0.592 20 0 GCADHN CC(C)[C@@H](O)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000524908868 1196636618 /nfs/dbraw/zinc/63/66/18/1196636618.db2.gz DBKWUHUDEYFFLX-KRWDZBQOSA-N 0 3 390.484 0.456 20 0 GCADHN CCc1nc(CN2CCN(C(=O)[C@]3(N)[C@H]4CCCO[C@H]4C3(C)C)CC2)no1 ZINC000446360129 1196637368 /nfs/dbraw/zinc/63/73/68/1196637368.db2.gz PAOVEVOJSKNULG-URKNILKWSA-N 0 3 377.489 0.809 20 0 GCADHN CCc1nc(CN2CCN(C(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)CC2)no1 ZINC000446360127 1196637378 /nfs/dbraw/zinc/63/73/78/1196637378.db2.gz PAOVEVOJSKNULG-ACWOFJMJSA-N 0 3 377.489 0.809 20 0 GCADHN CCCS(=O)(=O)N1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446383790 1196639103 /nfs/dbraw/zinc/63/91/03/1196639103.db2.gz JZZKOZZWWZBWSA-IIDMSEBBSA-N 0 3 387.546 0.839 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000446380045 1196639211 /nfs/dbraw/zinc/63/92/11/1196639211.db2.gz CZKWYJVCFGFRSK-KKVAFCGZSA-N 0 3 388.468 0.763 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000446386840 1196639608 /nfs/dbraw/zinc/63/96/08/1196639608.db2.gz SGJWZZIWNZSBNN-IIDMSEBBSA-N 0 3 381.498 0.614 20 0 GCADHN COc1cc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)ccc1OCC(N)=O ZINC000446383158 1196639821 /nfs/dbraw/zinc/63/98/21/1196639821.db2.gz SJXUZRCKTKGXFP-YXKFXFPPSA-N 0 3 391.468 0.708 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000446375721 1196640314 /nfs/dbraw/zinc/64/03/14/1196640314.db2.gz AKJXXOLEMJKSBI-ZXYWRSMDSA-N 0 3 377.489 0.420 20 0 GCADHN O=C(NCCNC(=O)c1ccco1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000524982639 1196641574 /nfs/dbraw/zinc/64/15/74/1196641574.db2.gz UTUKROBVZYNPGW-HXUWFJFHSA-N 0 3 386.452 0.946 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cn(C)nc2C(F)(F)F)CC1 ZINC000446453358 1196642709 /nfs/dbraw/zinc/64/27/09/1196642709.db2.gz OZFKRBVOZAUSSB-UHFFFAOYSA-N 0 3 376.383 0.131 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2c[nH]nc2-c2nccs2)CC1 ZINC000446461696 1196644820 /nfs/dbraw/zinc/64/48/20/1196644820.db2.gz BVAMFTAWBNXFPH-GFCCVEGCSA-N 0 3 391.501 0.614 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1c[nH]nc1-c1nccs1)CN1CCN(C)CC1 ZINC000446541853 1196649520 /nfs/dbraw/zinc/64/95/20/1196649520.db2.gz UMPZKLCSWYPFBY-GFCCVEGCSA-N 0 3 391.501 0.471 20 0 GCADHN COc1cccc(C)c1NC(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000446676332 1196657722 /nfs/dbraw/zinc/65/77/22/1196657722.db2.gz KLZKGJGIQUWMAP-UHFFFAOYSA-N 0 3 392.500 0.448 20 0 GCADHN COCCN1CCC(NC(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000525298617 1196668878 /nfs/dbraw/zinc/66/88/78/1196668878.db2.gz LODFCCQWNIOHEV-QGZVFWFLSA-N 0 3 380.493 0.416 20 0 GCADHN CCn1nccc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000446815359 1196673062 /nfs/dbraw/zinc/67/30/62/1196673062.db2.gz SYMSTGAQRJDRHP-IAGOWNOFSA-N 0 3 385.468 0.841 20 0 GCADHN C[C@@H](CN1CCOCC1)NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000193288577 1196677246 /nfs/dbraw/zinc/67/72/46/1196677246.db2.gz MQXBUPTZLJDQPK-SFHVURJKSA-N 0 3 389.544 0.954 20 0 GCADHN C[C@H](O)C[C@H](C)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000525426699 1196680444 /nfs/dbraw/zinc/68/04/44/1196680444.db2.gz ZFMKFBITTWHVLN-STQMWFEESA-N 0 3 392.456 0.618 20 0 GCADHN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000447033323 1196689270 /nfs/dbraw/zinc/68/92/70/1196689270.db2.gz GQSVYZFTOQBAIW-MRXNPFEDSA-N 0 3 398.529 0.895 20 0 GCADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)NCc1ccc2c(c1)OCO2 ZINC000429701367 1196693914 /nfs/dbraw/zinc/69/39/14/1196693914.db2.gz KPJBXQWBGVWSOR-KBPBESRZSA-N 0 3 383.470 0.482 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(CNC(C)=O)cc2)CC1 ZINC000525698039 1196701664 /nfs/dbraw/zinc/70/16/64/1196701664.db2.gz PKKXWEXSZLLUNC-MRXNPFEDSA-N 0 3 396.557 0.875 20 0 GCADHN C[C@@H](CNC(=O)Nc1nc(CN2CCOCC2)cs1)CN1CCN(C)CC1 ZINC000525736004 1196705361 /nfs/dbraw/zinc/70/53/61/1196705361.db2.gz BBSXPZFABAGRMC-HNNXBMFYSA-N 0 3 396.561 0.980 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000525802892 1196711045 /nfs/dbraw/zinc/71/10/45/1196711045.db2.gz GMVZPFSRJWTWPS-UHFFFAOYSA-N 0 3 399.451 0.748 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000525804034 1196711728 /nfs/dbraw/zinc/71/17/28/1196711728.db2.gz GLLPYUDBUHOPAV-CQSZACIVSA-N 0 3 377.489 0.718 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000525804034 1196711732 /nfs/dbraw/zinc/71/17/32/1196711732.db2.gz GLLPYUDBUHOPAV-CQSZACIVSA-N 0 3 377.489 0.718 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000525804033 1196711800 /nfs/dbraw/zinc/71/18/00/1196711800.db2.gz GLLPYUDBUHOPAV-AWEZNQCLSA-N 0 3 377.489 0.718 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525804033 1196711804 /nfs/dbraw/zinc/71/18/04/1196711804.db2.gz GLLPYUDBUHOPAV-AWEZNQCLSA-N 0 3 377.489 0.718 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000525815635 1196712783 /nfs/dbraw/zinc/71/27/83/1196712783.db2.gz FNWZTTILBFZTTI-BRWVUGGUSA-N 0 3 388.578 0.915 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)cc1 ZINC000447427178 1196718137 /nfs/dbraw/zinc/71/81/37/1196718137.db2.gz IBARYGDHSGVOCR-UHFFFAOYSA-N 0 3 390.484 0.988 20 0 GCADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCN1CCCC(C)(C)C1 ZINC000447423452 1196718942 /nfs/dbraw/zinc/71/89/42/1196718942.db2.gz RCHJYKHVWLXVEG-UHFFFAOYSA-N 0 3 378.477 0.728 20 0 GCADHN CC1(C)CCCN(CCNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C1 ZINC000447419954 1196719023 /nfs/dbraw/zinc/71/90/23/1196719023.db2.gz XBWKDBOHHNSITK-UHFFFAOYSA-N 0 3 376.457 0.727 20 0 GCADHN CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000525903257 1196723122 /nfs/dbraw/zinc/72/31/22/1196723122.db2.gz PSHASSCXOPBJLM-OAHLLOKOSA-N 0 3 376.457 0.822 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000525892161 1196724139 /nfs/dbraw/zinc/72/41/39/1196724139.db2.gz HSNCRDQFFJPCNY-OAHLLOKOSA-N 0 3 396.495 0.942 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000487530395 1196729070 /nfs/dbraw/zinc/72/90/70/1196729070.db2.gz BGNGSDOLWAWWGX-UHFFFAOYSA-N 0 3 375.454 0.136 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000447555717 1196731026 /nfs/dbraw/zinc/73/10/26/1196731026.db2.gz CVDZAVMAEMQSJB-HXUWFJFHSA-N 0 3 391.512 0.974 20 0 GCADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC[C@@H](C)N2CCN(CC)CC2)C1 ZINC000526050371 1196735811 /nfs/dbraw/zinc/73/58/11/1196735811.db2.gz QISKKDNAHUFBTQ-CVEARBPZSA-N 0 3 390.550 0.122 20 0 GCADHN CN1CCN(C[C@@H](NC(=O)NCCN2CCCOCC2)c2ccccc2)CC1 ZINC000526096352 1196742470 /nfs/dbraw/zinc/74/24/70/1196742470.db2.gz WIGMLTXLUGGTMO-HXUWFJFHSA-N 0 3 389.544 0.997 20 0 GCADHN CN1CCN(C[C@H](NC(=O)NCCN2CCCOCC2)c2ccccc2)CC1 ZINC000526096351 1196742529 /nfs/dbraw/zinc/74/25/29/1196742529.db2.gz WIGMLTXLUGGTMO-FQEVSTJZSA-N 0 3 389.544 0.997 20 0 GCADHN CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000526616270 1196746490 /nfs/dbraw/zinc/74/64/90/1196746490.db2.gz RCFLWKPVWLADAR-SFHVURJKSA-N 0 3 381.429 0.126 20 0 GCADHN CCN1CCN(C[C@H](C)CNc2cc(C)nc3nc(C(=O)OC)nn32)CC1 ZINC000526953039 1196750655 /nfs/dbraw/zinc/75/06/55/1196750655.db2.gz KRZVJNCWDZXBBB-CYBMUJFWSA-N 0 3 375.477 0.905 20 0 GCADHN C[C@H]1OCC[C@@]12CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H](C)O2 ZINC000447834580 1196752706 /nfs/dbraw/zinc/75/27/06/1196752706.db2.gz RDGDEDCRNPJYPA-HBUWYVDXSA-N 0 3 397.497 0.931 20 0 GCADHN Cc1ccccc1C(=O)NC1CCN(C(=O)CN[C@H](CO)[C@@H]2CCCO2)CC1 ZINC000447910901 1196756718 /nfs/dbraw/zinc/75/67/18/1196756718.db2.gz GNVNPGVDTPBMGF-MOPGFXCFSA-N 0 3 389.496 0.845 20 0 GCADHN O=C(CN[C@@H](CO)[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000447909993 1196756760 /nfs/dbraw/zinc/75/67/60/1196756760.db2.gz DZHVYIDSUIBFPT-ICSRJNTNSA-N 0 3 389.496 0.395 20 0 GCADHN O=C(CN[C@@H](CO)[C@@H]1CCCO1)NCc1ccccc1CN1CCOCC1 ZINC000447908909 1196756871 /nfs/dbraw/zinc/75/68/71/1196756871.db2.gz AVTRATORSYEKFH-OALUTQOASA-N 0 3 377.485 0.265 20 0 GCADHN O=C(CN[C@@H](CO)[C@H]1CCCO1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000447917829 1196758179 /nfs/dbraw/zinc/75/81/79/1196758179.db2.gz RRTMCUUAFYUFBJ-ZWKOTPCHSA-N 0 3 375.469 0.993 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000527148268 1196767872 /nfs/dbraw/zinc/76/78/72/1196767872.db2.gz AABPXUVFOKIJGZ-CVEARBPZSA-N 0 3 383.456 0.994 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000527138453 1196769551 /nfs/dbraw/zinc/76/95/51/1196769551.db2.gz ORBWVJBJDORCQL-UHFFFAOYSA-N 0 3 385.472 0.302 20 0 GCADHN Cn1nncc1CN[C@@H]1CCCCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001088351395 1196772143 /nfs/dbraw/zinc/77/21/43/1196772143.db2.gz AMKNQKKETPAEKU-CIRFHOKZSA-N 0 3 377.489 0.727 20 0 GCADHN CN1CC[C@](O)(CNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000527289182 1196777662 /nfs/dbraw/zinc/77/76/62/1196777662.db2.gz LSNBDDGHWACZIK-LPHOPBHVSA-N 0 3 396.438 0.822 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc3c2OCC[C@H]3OC)CC1 ZINC000448230773 1196781878 /nfs/dbraw/zinc/78/18/78/1196781878.db2.gz OYVBGMSMPQDWGH-QGZVFWFLSA-N 0 3 390.484 0.849 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(N3CCC3=O)c2)CC1 ZINC000448228241 1196781940 /nfs/dbraw/zinc/78/19/40/1196781940.db2.gz FKMYETLCRLZJNX-OAHLLOKOSA-N 0 3 387.484 0.504 20 0 GCADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(N3CCC3=O)c2)CC1 ZINC000448231523 1196782187 /nfs/dbraw/zinc/78/21/87/1196782187.db2.gz UBKSMIOIPCPNNU-UHFFFAOYSA-N 0 3 387.484 0.506 20 0 GCADHN COC(=O)c1csc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000527387642 1196783059 /nfs/dbraw/zinc/78/30/59/1196783059.db2.gz LHTKDGHVUIUAAF-UHFFFAOYSA-N 0 3 382.486 0.569 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000527376283 1196784812 /nfs/dbraw/zinc/78/48/12/1196784812.db2.gz KZZWNOULLCWKKA-UHFFFAOYSA-N 0 3 387.440 0.231 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000527458543 1196786304 /nfs/dbraw/zinc/78/63/04/1196786304.db2.gz YXURQGCPQOCFTQ-UHFFFAOYSA-N 0 3 397.483 0.717 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000448321826 1196792379 /nfs/dbraw/zinc/79/23/79/1196792379.db2.gz ONTCOLGJWANWDZ-ZDUSSCGKSA-N 0 3 382.486 0.660 20 0 GCADHN CN(C(=O)CCn1nc2ccccn2c1=O)C1CCN(CCn2cccn2)CC1 ZINC000116758154 1196820411 /nfs/dbraw/zinc/82/04/11/1196820411.db2.gz UNNWULVNTGOPOU-UHFFFAOYSA-N 0 3 397.483 0.706 20 0 GCADHN CS(=O)(=O)NC1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCCC1 ZINC000729588598 1196825794 /nfs/dbraw/zinc/82/57/94/1196825794.db2.gz UDQALZSTRSIYFO-LSDHHAIUSA-N 0 3 388.534 0.401 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC000448906455 1196838630 /nfs/dbraw/zinc/83/86/30/1196838630.db2.gz AUVJIOYLOXWSCG-GFCCVEGCSA-N 0 3 394.497 0.482 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)Cc3cncc(Cl)n3)C2)OCC1=O ZINC001271979424 1196843752 /nfs/dbraw/zinc/84/37/52/1196843752.db2.gz DSRYWWSBEHLVAM-KRWDZBQOSA-N 0 3 381.864 0.064 20 0 GCADHN CN1c2cc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)ccc2OCC1=O ZINC000528414328 1196857488 /nfs/dbraw/zinc/85/74/88/1196857488.db2.gz NTRUMGZZFCEDHP-UHFFFAOYSA-N 0 3 386.452 0.422 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1C1CCOCC1 ZINC000528412653 1196857505 /nfs/dbraw/zinc/85/75/05/1196857505.db2.gz AOCKMFBFLHXLSW-UHFFFAOYSA-N 0 3 389.500 0.923 20 0 GCADHN CN(C)CCN1CCN(C(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)CC1=O ZINC000624895149 1196858269 /nfs/dbraw/zinc/85/82/69/1196858269.db2.gz VZYNKWSTSCLMMZ-WMLDXEAASA-N 0 3 378.477 0.293 20 0 GCADHN CC[C@@H](C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)N(C)C ZINC000369847920 1196865333 /nfs/dbraw/zinc/86/53/33/1196865333.db2.gz RGPJELRFIKYPFJ-AWEZNQCLSA-N 0 3 383.470 0.287 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000528733728 1196884153 /nfs/dbraw/zinc/88/41/53/1196884153.db2.gz GVVADSSTNBMINZ-UHFFFAOYSA-N 0 3 379.436 0.407 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(CCC(=O)N2CCOc3ccccc32)CC1 ZINC000528736589 1196884954 /nfs/dbraw/zinc/88/49/54/1196884954.db2.gz GRRMLQXGQNVJFK-UHFFFAOYSA-N 0 3 388.468 0.473 20 0 GCADHN C[C@]1(CO)CN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C[C@@]1(C)CO ZINC000528747380 1196886249 /nfs/dbraw/zinc/88/62/49/1196886249.db2.gz JUVAIEQOQGAJPX-LZQZEXGQSA-N 0 3 377.441 0.177 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CCSC1 ZINC000671071936 1196891696 /nfs/dbraw/zinc/89/16/96/1196891696.db2.gz WLVITBLRYLZSGD-APWZRJJASA-N 0 3 376.526 0.843 20 0 GCADHN C[C@@H](NC(=O)NC[C@H]1COCCN1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000529304279 1196915172 /nfs/dbraw/zinc/91/51/72/1196915172.db2.gz PIRZVJCPVVGBPR-ZBFHGGJFSA-N 0 3 379.480 0.926 20 0 GCADHN CN1c2ccc(C(=O)NC[C@@]3(O)CN4CCC3CC4)cc2C(C)(C)S1(=O)=O ZINC000529365690 1196917961 /nfs/dbraw/zinc/91/79/61/1196917961.db2.gz HHMYVTMAWGNLHW-LJQANCHMSA-N 0 3 393.509 0.888 20 0 GCADHN CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000866934149 1196920111 /nfs/dbraw/zinc/92/01/11/1196920111.db2.gz JKBOUWUBUQQHJL-HNNXBMFYSA-N 0 3 380.493 0.972 20 0 GCADHN CN(C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COC[C@@H]2CCOC2)CCC1 ZINC001719904401 1196922876 /nfs/dbraw/zinc/92/28/76/1196922876.db2.gz BRFPLMAQAJADPQ-VQHPVUNQSA-N 0 3 379.501 0.772 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(N(C)C)CCC1)C2)C(C)C ZINC001719904477 1196924220 /nfs/dbraw/zinc/92/42/20/1196924220.db2.gz FVQDVYFOUACIAA-WCXIOVBPSA-N 0 3 378.517 0.880 20 0 GCADHN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000120757223 1196924518 /nfs/dbraw/zinc/92/45/18/1196924518.db2.gz IAOVLYUGWFMNPH-HUUCEWRRSA-N 0 3 389.504 0.623 20 0 GCADHN CN(CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)C(=O)c1cccs1 ZINC000120880264 1196925805 /nfs/dbraw/zinc/92/58/05/1196925805.db2.gz BPBLSYFGBJLDED-AWEZNQCLSA-N 0 3 378.498 0.761 20 0 GCADHN CN(C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CCCCNC(N)=O)CCC1 ZINC001719904520 1196926374 /nfs/dbraw/zinc/92/63/74/1196926374.db2.gz IBDNLUQKWCIJFA-KFWWJZLASA-N 0 3 379.505 0.557 20 0 GCADHN CN(Cc1ccc(F)c(CN(C)[C@]2(CO)CCOC2)c1)[C@]1(CO)CCOC1 ZINC000450706867 1196949262 /nfs/dbraw/zinc/94/92/62/1196949262.db2.gz GSBMGGNHCOPOPG-PMACEKPBSA-N 0 3 382.476 0.992 20 0 GCADHN CCc1c(C(=O)NC[C@H]2CCN2C2CCCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000530024791 1196957599 /nfs/dbraw/zinc/95/75/99/1196957599.db2.gz XHRSKJSCBFJDMZ-CQSZACIVSA-N 0 3 399.495 0.941 20 0 GCADHN COc1cc(CNC[C@@H]2COCCN2)ccc1OCC(=O)N1CCOCC1 ZINC000530246117 1196970005 /nfs/dbraw/zinc/97/00/05/1196970005.db2.gz CBVCLWJODMOQAD-MRXNPFEDSA-N 0 3 379.457 0.011 20 0 GCADHN CCOC(=O)[C@H]1CN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC12COC2 ZINC000451138871 1196973108 /nfs/dbraw/zinc/97/31/08/1196973108.db2.gz RBUXHSLCMDVJNW-UKRRQHHQSA-N 0 3 379.409 0.667 20 0 GCADHN CS[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3nc(C)no3)c2)C[C@@H]1N(C)C ZINC000530337843 1196979791 /nfs/dbraw/zinc/97/97/91/1196979791.db2.gz FMLPOUXJBIRAGI-UONOGXRCSA-N 0 3 377.470 0.706 20 0 GCADHN CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CC[C@](COC)(C(=O)OC)C2)CC1 ZINC000451331679 1196988935 /nfs/dbraw/zinc/98/89/35/1196988935.db2.gz SKTACUVERRQAHS-KUHUBIRLSA-N 0 3 384.473 0.688 20 0 GCADHN CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CC[C@@](COC)(C(=O)OC)C2)CC1 ZINC000451331677 1196989027 /nfs/dbraw/zinc/98/90/27/1196989027.db2.gz SKTACUVERRQAHS-AUUYWEPGSA-N 0 3 384.473 0.688 20 0 GCADHN CN1CCN(CCNC(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CC1(C)C ZINC000451460884 1196994413 /nfs/dbraw/zinc/99/44/13/1196994413.db2.gz ZPPHTIJSGZFMKO-UHFFFAOYSA-N 0 3 393.513 0.055 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)ccc1C ZINC000530567253 1196996601 /nfs/dbraw/zinc/99/66/01/1196996601.db2.gz MAARPRPVRCHDLH-GFCCVEGCSA-N 0 3 382.486 0.300 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000530568146 1196996773 /nfs/dbraw/zinc/99/67/73/1196996773.db2.gz RBHQRZSEFDWMQL-CQSZACIVSA-N 0 3 386.452 0.732 20 0 GCADHN COC(=O)c1ccc(OCCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000530577669 1196998841 /nfs/dbraw/zinc/99/88/41/1196998841.db2.gz YOQJKLPHIPYWSO-HNNXBMFYSA-N 0 3 377.441 0.378 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000530607330 1196999163 /nfs/dbraw/zinc/99/91/63/1196999163.db2.gz OOXXIBAAEPBIFQ-SJLPKXTDSA-N 0 3 390.532 0.937 20 0 GCADHN C[C@@](O)(CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)CN1CCOCC1 ZINC000530647850 1197001879 /nfs/dbraw/zinc/00/18/79/1197001879.db2.gz HYQTVIAUKWKIMP-UYAOXDASSA-N 0 3 376.501 0.493 20 0 GCADHN CC(C)Cn1c(N)c(C(=O)CN[C@@H]([C@H](CO)C2CC2)C2CC2)c(=O)[nH]c1=O ZINC000451616462 1197002983 /nfs/dbraw/zinc/00/29/83/1197002983.db2.gz VSISWWXBFQPGDJ-CZUORRHYSA-N 0 3 378.473 0.757 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000530640650 1197003333 /nfs/dbraw/zinc/00/33/33/1197003333.db2.gz MXMXZMHXSJOJEE-VLIAUNLRSA-N 0 3 387.484 0.497 20 0 GCADHN CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cc1 ZINC000530681242 1197008020 /nfs/dbraw/zinc/00/80/20/1197008020.db2.gz FJBGVQURZOJWBL-AWEZNQCLSA-N 0 3 396.513 0.914 20 0 GCADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000530733172 1197010989 /nfs/dbraw/zinc/01/09/89/1197010989.db2.gz GLYWHEHOZOLRLH-ZDUSSCGKSA-N 0 3 376.457 0.794 20 0 GCADHN CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000530719777 1197011742 /nfs/dbraw/zinc/01/17/42/1197011742.db2.gz LOYZFVUGNOXHPZ-MOPGFXCFSA-N 0 3 376.501 0.445 20 0 GCADHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000451774959 1197014928 /nfs/dbraw/zinc/01/49/28/1197014928.db2.gz PJZLXHOBLNAWMB-DFBGVHRSSA-N 0 3 383.470 0.982 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c(C)c1 ZINC000530806409 1197017503 /nfs/dbraw/zinc/01/75/03/1197017503.db2.gz QWBSMLCJKVAAQT-ZDUSSCGKSA-N 0 3 377.441 0.943 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000530806664 1197017550 /nfs/dbraw/zinc/01/75/50/1197017550.db2.gz ZDMGGUIMAPISOF-CQSZACIVSA-N 0 3 396.513 0.770 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000530805602 1197017673 /nfs/dbraw/zinc/01/76/73/1197017673.db2.gz CLEJQDWBAHARNU-ZDUSSCGKSA-N 0 3 382.486 0.132 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000530805601 1197017794 /nfs/dbraw/zinc/01/77/94/1197017794.db2.gz CLEJQDWBAHARNU-CYBMUJFWSA-N 0 3 382.486 0.132 20 0 GCADHN CC[C@@H](C)N1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000451825889 1197018179 /nfs/dbraw/zinc/01/81/79/1197018179.db2.gz RGMJUMUZQWBATF-QGZVFWFLSA-N 0 3 381.565 0.461 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1=O ZINC000530813756 1197018648 /nfs/dbraw/zinc/01/86/48/1197018648.db2.gz DOXUTCYCTHOQEF-AWEZNQCLSA-N 0 3 387.440 0.087 20 0 GCADHN C[C@H]1CC[C@H](C)N1CC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000530824485 1197020742 /nfs/dbraw/zinc/02/07/42/1197020742.db2.gz RBVQLFMKFMUBAG-GJZGRUSLSA-N 0 3 388.534 0.017 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1 ZINC000530842953 1197022296 /nfs/dbraw/zinc/02/22/96/1197022296.db2.gz FOQZNNHWDKUUKS-CYBMUJFWSA-N 0 3 387.440 0.135 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)c(F)c1 ZINC000530921328 1197026551 /nfs/dbraw/zinc/02/65/51/1197026551.db2.gz WQHOTPGWZRTZSH-UHFFFAOYSA-N 0 3 394.447 0.695 20 0 GCADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000531108383 1197045899 /nfs/dbraw/zinc/04/58/99/1197045899.db2.gz AZYDCTNQUPVAAB-HNNXBMFYSA-N 0 3 388.534 0.305 20 0 GCADHN NS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000665989494 1197048894 /nfs/dbraw/zinc/04/88/94/1197048894.db2.gz MJQBHLPLMZOYJA-IRXDYDNUSA-N 0 3 380.514 0.855 20 0 GCADHN Cn1cc(N2CCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CC2=O)cn1 ZINC000531181006 1197052375 /nfs/dbraw/zinc/05/23/75/1197052375.db2.gz BHEMVYJFPYDDEJ-QGZVFWFLSA-N 0 3 382.468 0.903 20 0 GCADHN COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000452354921 1197054332 /nfs/dbraw/zinc/05/43/32/1197054332.db2.gz WNVIVBYRCIBSDW-INIZCTEOSA-N 0 3 399.513 0.188 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000452377993 1197057566 /nfs/dbraw/zinc/05/75/66/1197057566.db2.gz TVRLVTATFXVDOQ-JKSUJKDBSA-N 0 3 383.514 0.625 20 0 GCADHN CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452378729 1197058451 /nfs/dbraw/zinc/05/84/51/1197058451.db2.gz XOJGCRSRCDCUGM-WBVHZDCISA-N 0 3 387.488 0.238 20 0 GCADHN NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCCN1CCO ZINC000452389212 1197060413 /nfs/dbraw/zinc/06/04/13/1197060413.db2.gz LPDXCWXPRQLHBN-YJBOKZPZSA-N 0 3 387.484 0.710 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC000531256403 1197061138 /nfs/dbraw/zinc/06/11/38/1197061138.db2.gz TUZAICZCIWGVMH-MRXNPFEDSA-N 0 3 399.499 0.596 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c1C ZINC000531283570 1197062549 /nfs/dbraw/zinc/06/25/49/1197062549.db2.gz URLKYUUHKBVUBZ-NSHDSACASA-N 0 3 382.486 0.347 20 0 GCADHN CCOC(=O)c1cnn(C2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)c1 ZINC000452446627 1197062975 /nfs/dbraw/zinc/06/29/75/1197062975.db2.gz SEDCCECYUJVOFT-QGZVFWFLSA-N 0 3 375.473 0.613 20 0 GCADHN CCN1CCN(CCC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)CC1 ZINC000531296058 1197063884 /nfs/dbraw/zinc/06/38/84/1197063884.db2.gz FNHSWBRMXZGZES-UHFFFAOYSA-N 0 3 390.532 0.416 20 0 GCADHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000531378330 1197068749 /nfs/dbraw/zinc/06/87/49/1197068749.db2.gz XTZLWWKWNAEWKT-KRWDZBQOSA-N 0 3 399.538 0.891 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC000531497813 1197078917 /nfs/dbraw/zinc/07/89/17/1197078917.db2.gz XQCWYYACKFWKJG-OAHLLOKOSA-N 0 3 385.472 0.348 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC000452796421 1197083122 /nfs/dbraw/zinc/08/31/22/1197083122.db2.gz MDVBFFHKYBHEAG-INIZCTEOSA-N 0 3 383.514 0.442 20 0 GCADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000531567149 1197084651 /nfs/dbraw/zinc/08/46/51/1197084651.db2.gz BCRCIMXJBSWNFR-JVLSTEMRSA-N 0 3 383.518 0.303 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)CN1Cc1ccccc1 ZINC000531597797 1197086999 /nfs/dbraw/zinc/08/69/99/1197086999.db2.gz PAIVRZCEZGCMCW-FUHWJXTLSA-N 0 3 394.541 0.343 20 0 GCADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000531635465 1197088443 /nfs/dbraw/zinc/08/84/43/1197088443.db2.gz QINYYQQFYNMDSZ-CQSZACIVSA-N 0 3 376.457 0.822 20 0 GCADHN Cc1cc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1-n1cnnn1 ZINC000531718688 1197094789 /nfs/dbraw/zinc/09/47/89/1197094789.db2.gz JAZNNCHFZUCYPP-QGZVFWFLSA-N 0 3 398.471 0.741 20 0 GCADHN C[C@@H](Cc1cnccn1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000453061570 1197096007 /nfs/dbraw/zinc/09/60/07/1197096007.db2.gz DARSBSPJFFMAFD-INIZCTEOSA-N 0 3 390.513 0.544 20 0 GCADHN Cc1oc(C(=O)[N-]c2c[nH+]ccc2N2CCN(C)CC2)cc1S(N)(=O)=O ZINC000531788350 1197097684 /nfs/dbraw/zinc/09/76/84/1197097684.db2.gz YMDWDMIDIZHSFN-UHFFFAOYSA-N 0 3 379.442 0.635 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c[nH]1 ZINC000531836666 1197098884 /nfs/dbraw/zinc/09/88/84/1197098884.db2.gz BPIYHSXPZPBUEK-CQSZACIVSA-N 0 3 384.502 0.590 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000531831759 1197099602 /nfs/dbraw/zinc/09/96/02/1197099602.db2.gz DOJCKRXCPDZORL-QGZVFWFLSA-N 0 3 394.541 0.503 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000531901028 1197104118 /nfs/dbraw/zinc/10/41/18/1197104118.db2.gz DVOPSKVUQIWUDO-GXTWGEPZSA-N 0 3 382.486 0.005 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2)CC1 ZINC000531987327 1197105726 /nfs/dbraw/zinc/10/57/26/1197105726.db2.gz YCFYAUPMYZPOPT-DLBZAZTESA-N 0 3 387.484 0.551 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2)CC1 ZINC000531987329 1197105816 /nfs/dbraw/zinc/10/58/16/1197105816.db2.gz YCFYAUPMYZPOPT-IRXDYDNUSA-N 0 3 387.484 0.551 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)c1C ZINC000531983847 1197106356 /nfs/dbraw/zinc/10/63/56/1197106356.db2.gz BJVOKJPNJQCDKX-LBPRGKRZSA-N 0 3 382.486 0.442 20 0 GCADHN CSc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000531993566 1197106730 /nfs/dbraw/zinc/10/67/30/1197106730.db2.gz DFXGJOLZVPIJPC-AWEZNQCLSA-N 0 3 391.497 0.507 20 0 GCADHN CNC(=O)c1cc(S(=O)(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cn1C ZINC000532089208 1197111202 /nfs/dbraw/zinc/11/12/02/1197111202.db2.gz TYGLRZFQCRFOMC-HNNXBMFYSA-N 0 3 397.545 0.174 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532077738 1197112113 /nfs/dbraw/zinc/11/21/13/1197112113.db2.gz LVRJGFGRBKVXIY-KDOFPFPSSA-N 0 3 393.509 0.920 20 0 GCADHN CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](N3CCN(C(C)C)CC3)C1)CC2 ZINC000532094514 1197113241 /nfs/dbraw/zinc/11/32/41/1197113241.db2.gz WAVHMQAEDRILKV-IRXDYDNUSA-N 0 3 389.548 0.965 20 0 GCADHN COc1cc(C(N)=O)ccc1NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000453611801 1197114256 /nfs/dbraw/zinc/11/42/56/1197114256.db2.gz RYMYSEOAIUKTBT-OLZOCXBDSA-N 0 3 376.457 0.969 20 0 GCADHN CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)CCN(C)C)c(F)c1 ZINC000453692313 1197121185 /nfs/dbraw/zinc/12/11/85/1197121185.db2.gz IGIKUCAQKXSJED-UHFFFAOYSA-N 0 3 388.465 0.936 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)n1 ZINC000453736015 1197127073 /nfs/dbraw/zinc/12/70/73/1197127073.db2.gz LGGPWOGXBIQTNG-HNNXBMFYSA-N 0 3 379.505 1.403 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3ccnc(OC)n3)c2)CC1 ZINC000453795438 1197133139 /nfs/dbraw/zinc/13/31/39/1197133139.db2.gz UDYAPNYWHKLYFA-UHFFFAOYSA-N 0 3 398.467 0.882 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)cc1C ZINC000453801623 1197137272 /nfs/dbraw/zinc/13/72/72/1197137272.db2.gz AWCWJOPROQULOP-OAHLLOKOSA-N 0 3 377.441 0.683 20 0 GCADHN CCOC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000453808084 1197139181 /nfs/dbraw/zinc/13/91/81/1197139181.db2.gz QHLBVDDGGYMQQQ-INIZCTEOSA-N 0 3 377.441 0.765 20 0 GCADHN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453808173 1197139496 /nfs/dbraw/zinc/13/94/96/1197139496.db2.gz QQCGNLWEBMWSNZ-HNNXBMFYSA-N 0 3 379.505 0.910 20 0 GCADHN COC(=O)c1c(C)csc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453810113 1197139997 /nfs/dbraw/zinc/13/99/97/1197139997.db2.gz WMRZVAQDDMLPON-GFCCVEGCSA-N 0 3 383.470 0.745 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCc3cnc(N(C)C)n3C)C2)CC1 ZINC000532350255 1197147362 /nfs/dbraw/zinc/14/73/62/1197147362.db2.gz UXCARBJUTKVVIG-INIZCTEOSA-N 0 3 377.537 0.796 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)C1 ZINC000532363982 1197147912 /nfs/dbraw/zinc/14/79/12/1197147912.db2.gz ZZMSHVIPMSLRJU-GFCCVEGCSA-N 0 3 385.461 0.767 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000453910137 1197149133 /nfs/dbraw/zinc/14/91/33/1197149133.db2.gz AGAKLXJLQXHVIS-XHDPSFHLSA-N 0 3 398.460 0.177 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)c4cnc[n-]c4=O)CC[C@@H]3C2)CC[N@@H+]1C ZINC000986191826 1197154012 /nfs/dbraw/zinc/15/40/12/1197154012.db2.gz KJXFXBVCDIBTQW-WBTNSWJXSA-N 0 3 387.484 0.833 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)c4cnc[n-]c4=O)CC[C@@H]3C2)CC[N@H+]1C ZINC000986191826 1197154015 /nfs/dbraw/zinc/15/40/15/1197154015.db2.gz KJXFXBVCDIBTQW-WBTNSWJXSA-N 0 3 387.484 0.833 20 0 GCADHN COc1cc(C)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000360080217 1197156313 /nfs/dbraw/zinc/15/63/13/1197156313.db2.gz USMLIOQQJJIFKJ-INIZCTEOSA-N 0 3 388.468 0.707 20 0 GCADHN CC(=O)N[C@](C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1)C(C)C ZINC001719906694 1197160142 /nfs/dbraw/zinc/16/01/42/1197160142.db2.gz TVUYDSTUWXNBDC-WWNBULGVSA-N 0 3 378.517 0.881 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)C[C@@H]3C2)O1 ZINC000986283499 1197162493 /nfs/dbraw/zinc/16/24/93/1197162493.db2.gz QUEOXGPLOYEKAD-VXIBKDFQSA-N 0 3 392.544 0.497 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cnc[n-]c4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC000986299111 1197163119 /nfs/dbraw/zinc/16/31/19/1197163119.db2.gz WNECFNDWSAFYFK-WBTNSWJXSA-N 0 3 387.484 0.833 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cnc[n-]c4=O)C[C@@H]3C2)CC[N@H+]1C ZINC000986299111 1197163123 /nfs/dbraw/zinc/16/31/23/1197163123.db2.gz WNECFNDWSAFYFK-WBTNSWJXSA-N 0 3 387.484 0.833 20 0 GCADHN Cc1ncc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@@H]3C2)[nH]1 ZINC000986321986 1197164575 /nfs/dbraw/zinc/16/45/75/1197164575.db2.gz UUSLGUSXJYCITJ-JJAZEVLHSA-N 0 3 375.473 0.358 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4(N(C)C)CCC4)C[C@H]3C2)O1 ZINC000986324109 1197165615 /nfs/dbraw/zinc/16/56/15/1197165615.db2.gz NGIUAHMZKNLHAO-ZJPYXAASSA-N 0 3 392.544 0.497 20 0 GCADHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(CC2CCOCC2)CC1 ZINC000172427720 1197172484 /nfs/dbraw/zinc/17/24/84/1197172484.db2.gz RHRLUPNBFYTMTB-GFCCVEGCSA-N 0 3 380.411 0.807 20 0 GCADHN CCc1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1S(N)(=O)=O ZINC000666053227 1197174460 /nfs/dbraw/zinc/17/44/60/1197174460.db2.gz WWOCOMXZHHLWJH-UHFFFAOYSA-N 0 3 399.517 0.380 20 0 GCADHN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCO[C@@H](CN(C)C)C3)cc12 ZINC000173791200 1197179258 /nfs/dbraw/zinc/17/92/58/1197179258.db2.gz BSNJKCSVRZFJGV-OLZOCXBDSA-N 0 3 393.513 0.851 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1=O ZINC000174812910 1197182362 /nfs/dbraw/zinc/18/23/62/1197182362.db2.gz PSWRBTOAAALBBX-DZGCQCFKSA-N 0 3 376.432 0.457 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000986538567 1197183283 /nfs/dbraw/zinc/18/32/83/1197183283.db2.gz LYSHIJOUKLCVQW-LVQVYYBASA-N 0 3 387.484 0.751 20 0 GCADHN Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC000986538567 1197183285 /nfs/dbraw/zinc/18/32/85/1197183285.db2.gz LYSHIJOUKLCVQW-LVQVYYBASA-N 0 3 387.484 0.751 20 0 GCADHN C[C@H](CNC(=O)N1CCCN(c2cccnn2)CC1)CN1CCN(C)CC1 ZINC000175774651 1197185823 /nfs/dbraw/zinc/18/58/23/1197185823.db2.gz IHZZMQNGBAUEQI-QGZVFWFLSA-N 0 3 375.521 0.582 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@]3(CCOC3)C2)CC1 ZINC000176294259 1197186462 /nfs/dbraw/zinc/18/64/62/1197186462.db2.gz NPEGNDMBWJVHRT-IBGZPJMESA-N 0 3 385.472 0.124 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)CC1 ZINC000176639212 1197187911 /nfs/dbraw/zinc/18/79/11/1197187911.db2.gz BAUIIDOBAPICAT-ZDUSSCGKSA-N 0 3 386.518 0.594 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177165464 1197188541 /nfs/dbraw/zinc/18/85/41/1197188541.db2.gz SETZYLOPIJLODD-HIFRSBDPSA-N 0 3 389.500 0.589 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177165464 1197188544 /nfs/dbraw/zinc/18/85/44/1197188544.db2.gz SETZYLOPIJLODD-HIFRSBDPSA-N 0 3 389.500 0.589 20 0 GCADHN Cn1c2ncn(CCN3CCC(OC[C@@H]4CCCO4)CC3)c2c(=O)n(C)c1=O ZINC000177459067 1197189891 /nfs/dbraw/zinc/18/98/91/1197189891.db2.gz WTJMLAQWECNWSD-HNNXBMFYSA-N 0 3 391.472 0.094 20 0 GCADHN C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(C)o1 ZINC000177673201 1197191879 /nfs/dbraw/zinc/19/18/79/1197191879.db2.gz LQPBWRNJDIXIFP-UHFFFAOYSA-N 0 3 384.502 0.350 20 0 GCADHN NS(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cn1 ZINC000428530181 1197193925 /nfs/dbraw/zinc/19/39/25/1197193925.db2.gz APOUXUQAMVZAET-HNNXBMFYSA-N 0 3 376.438 0.548 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCN1CCCCC1 ZINC000652990134 1197194408 /nfs/dbraw/zinc/19/44/08/1197194408.db2.gz HGMYHXGTHJVIPK-AWEZNQCLSA-N 0 3 396.513 0.397 20 0 GCADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)cc2)c1=O ZINC000181030227 1197203309 /nfs/dbraw/zinc/20/33/09/1197203309.db2.gz PKQQTUGAPZTHEV-INIZCTEOSA-N 0 3 384.440 0.206 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN1C(=O)CCC1=O)C2)N(C)C ZINC001719912092 1197205957 /nfs/dbraw/zinc/20/59/57/1197205957.db2.gz CVUKXEWWQIDRQR-TUVASFSCSA-N 0 3 378.473 0.114 20 0 GCADHN CC1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)CC1 ZINC000986687290 1197217763 /nfs/dbraw/zinc/21/77/63/1197217763.db2.gz BURWXIRBAYGEHS-TWMKSMIVSA-N 0 3 376.501 0.147 20 0 GCADHN O=C(CCc1cn[nH]n1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC[C@@H]2C1 ZINC000986694148 1197218476 /nfs/dbraw/zinc/21/84/76/1197218476.db2.gz FXAVQCLACOLKPE-OCVGTWLNSA-N 0 3 383.456 0.571 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C[C@@H]1N(C)C ZINC000760208335 1197225287 /nfs/dbraw/zinc/22/52/87/1197225287.db2.gz NOHZFJAMZSMDTN-HRCADAONSA-N 0 3 393.488 0.750 20 0 GCADHN C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3[nH]nc4c3CNCC4)CC2)C1 ZINC000188757715 1197234002 /nfs/dbraw/zinc/23/40/02/1197234002.db2.gz QUOJYTNDLRKZEW-LSDHHAIUSA-N 0 3 388.516 0.508 20 0 GCADHN CC(=O)NCCNC(=O)CCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428541557 1197234572 /nfs/dbraw/zinc/23/45/72/1197234572.db2.gz PRPRAEYGORPMRO-QGZVFWFLSA-N 0 3 376.457 0.224 20 0 GCADHN CCn1cc([C@@H]2CN(C(=O)NC[C@H](C)CN3CCN(C)CC3)CCO2)cn1 ZINC000189288303 1197235776 /nfs/dbraw/zinc/23/57/76/1197235776.db2.gz KKUNICXLHUPZIN-WMZOPIPTSA-N 0 3 378.521 0.869 20 0 GCADHN Cn1c2cccc(NC(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)c2oc1=O ZINC000282040105 1197249081 /nfs/dbraw/zinc/24/90/81/1197249081.db2.gz PINVMUTYXQEPKU-UHFFFAOYSA-N 0 3 389.456 0.212 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000102784107 1197253666 /nfs/dbraw/zinc/25/36/66/1197253666.db2.gz OLRAEMWSRSHKGU-UHFFFAOYSA-N 0 3 388.578 0.628 20 0 GCADHN Cn1ccnc1C[C@H]1CCCN(CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000193456712 1197255267 /nfs/dbraw/zinc/25/52/67/1197255267.db2.gz LIRWJZWGETWHOQ-QGZVFWFLSA-N 0 3 383.500 0.813 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 ZINC000103122453 1197263576 /nfs/dbraw/zinc/26/35/76/1197263576.db2.gz MSVZSCBQUYMZCG-UHFFFAOYSA-N 0 3 383.456 0.107 20 0 GCADHN CN1CCC(NC(=O)c2nnc3n2CCN(C(=O)c2cncs2)C3)CC1 ZINC001272050771 1197265634 /nfs/dbraw/zinc/26/56/34/1197265634.db2.gz FBFVOOBMTYWPSN-UHFFFAOYSA-N 0 3 375.458 0.215 20 0 GCADHN NS(=O)(=O)c1cnn(CCC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 ZINC000428553435 1197271392 /nfs/dbraw/zinc/27/13/92/1197271392.db2.gz OWSKQTGFFKWWCG-HNNXBMFYSA-N 0 3 393.469 0.126 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000103325786 1197271519 /nfs/dbraw/zinc/27/15/19/1197271519.db2.gz NUOVOMWAXKLXCU-UHFFFAOYSA-N 0 3 384.480 0.880 20 0 GCADHN CNS(=O)(=O)N1CCC(c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)CC1 ZINC000350194028 1197272010 /nfs/dbraw/zinc/27/20/10/1197272010.db2.gz VJEGFQDIUKEBCT-BETUJISGSA-N 0 3 382.490 0.569 20 0 GCADHN CCS(=O)(=O)N[C@H](C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000666431602 1197275206 /nfs/dbraw/zinc/27/52/06/1197275206.db2.gz WZXVLOAWBOWUEG-OAHLLOKOSA-N 0 3 382.530 0.378 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)NC)cc2)CC1 ZINC000453967706 1197276515 /nfs/dbraw/zinc/27/65/15/1197276515.db2.gz IDIQTWILWDQHAY-HNNXBMFYSA-N 0 3 389.500 0.403 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000666576717 1197290593 /nfs/dbraw/zinc/29/05/93/1197290593.db2.gz LMVBDSSHTUQQHX-UHFFFAOYSA-N 0 3 390.488 0.696 20 0 GCADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)C(=O)N[C@@H]2COC[C@H]2O)CC1 ZINC000453983362 1197295569 /nfs/dbraw/zinc/29/55/69/1197295569.db2.gz WOMXXAAAXHPBCL-HUUCEWRRSA-N 0 3 397.859 0.627 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@H]1CN3CCC[C@H]3CO1)CCO2 ZINC000888167336 1197303433 /nfs/dbraw/zinc/30/34/33/1197303433.db2.gz HWSRBUVQVCYALK-UGLNBPRTSA-N 0 3 381.473 0.650 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)CCO2 ZINC000888167335 1197303561 /nfs/dbraw/zinc/30/35/61/1197303561.db2.gz HWSRBUVQVCYALK-HQWNSDKXSA-N 0 3 381.473 0.650 20 0 GCADHN COC(=O)C1([C@@]2(O)CCCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)C2)CCC1 ZINC000888203411 1197313236 /nfs/dbraw/zinc/31/32/36/1197313236.db2.gz NFDANTJFJGQCLQ-MGPUTAFESA-N 0 3 395.500 0.093 20 0 GCADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1 ZINC000454081158 1197320687 /nfs/dbraw/zinc/32/06/87/1197320687.db2.gz BYFTZPXBAQDEOP-INIZCTEOSA-N 0 3 386.456 0.451 20 0 GCADHN Cn1ccc2c1cccc2NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000532520178 1197322742 /nfs/dbraw/zinc/32/27/42/1197322742.db2.gz VGJROMPSKMZUPS-SFHVURJKSA-N 0 3 397.479 0.882 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000103204387 1197325216 /nfs/dbraw/zinc/32/52/16/1197325216.db2.gz APYCIVWLYCVGPR-UHFFFAOYSA-N 0 3 386.500 0.460 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000532591854 1197331932 /nfs/dbraw/zinc/33/19/32/1197331932.db2.gz ZBMCYVCVPFMXRR-MRXNPFEDSA-N 0 3 388.468 0.906 20 0 GCADHN Cc1cccc(OCCNC(=O)CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000429728201 1197332425 /nfs/dbraw/zinc/33/24/25/1197332425.db2.gz YQFWAAYGBHDWJQ-IAGOWNOFSA-N 0 3 383.514 0.940 20 0 GCADHN COCC(C)(C)NCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000475870384 1197333735 /nfs/dbraw/zinc/33/37/35/1197333735.db2.gz NODBTVXZCTUJPV-UHFFFAOYSA-N 0 3 388.490 0.139 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)NCC2(C3(O)CCC3)CCC2)CC1 ZINC000897463310 1197338492 /nfs/dbraw/zinc/33/84/92/1197338492.db2.gz DCGJXSLTXALJEO-UHFFFAOYSA-N 0 3 380.533 0.332 20 0 GCADHN C[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)O1 ZINC000454177081 1197340399 /nfs/dbraw/zinc/34/03/99/1197340399.db2.gz RCBAVHADZAKYON-TZMCWYRMSA-N 0 3 390.440 0.778 20 0 GCADHN CN(CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C[C@@H](O)CN1C(=O)CCC1=O ZINC001272075241 1197340592 /nfs/dbraw/zinc/34/05/92/1197340592.db2.gz JDVGKTZJXAHIQV-VVLHAWIVSA-N 0 3 379.501 0.713 20 0 GCADHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000332925855 1197347388 /nfs/dbraw/zinc/34/73/88/1197347388.db2.gz CPZONEVVEPYQNI-KBMXLJTQSA-N 0 3 383.514 0.155 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000332940372 1197347607 /nfs/dbraw/zinc/34/76/07/1197347607.db2.gz SVOKQPCIUMCSID-DFHBCGBQSA-N 0 3 378.473 0.201 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CN1C1CC1 ZINC000332946677 1197347812 /nfs/dbraw/zinc/34/78/12/1197347812.db2.gz WZLWGHMCFBTLDW-SNUQEOBHSA-N 0 3 378.473 0.343 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000332967186 1197348311 /nfs/dbraw/zinc/34/83/11/1197348311.db2.gz PGBYKEHZRWDEGR-CABCVRRESA-N 0 3 379.505 0.334 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000332981771 1197348382 /nfs/dbraw/zinc/34/83/82/1197348382.db2.gz WZQUICFUHIEOSB-QFBILLFUSA-N 0 3 378.521 0.703 20 0 GCADHN CCOC(=O)N1CCN(C(=O)CN2CCC[C@@H](Cc3nccn3C)C2)CC1 ZINC000123652687 1197351572 /nfs/dbraw/zinc/35/15/72/1197351572.db2.gz BTRVPSHSMUXVAV-INIZCTEOSA-N 0 3 377.489 0.975 20 0 GCADHN CCN1CCN(CC(=O)N(Cc2ccco2)C2CCN(C)CC2)C(=O)C1=O ZINC000124074013 1197352102 /nfs/dbraw/zinc/35/21/02/1197352102.db2.gz MZIABFCXGRECFO-UHFFFAOYSA-N 0 3 376.457 0.393 20 0 GCADHN O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000536533270 1197354467 /nfs/dbraw/zinc/35/44/67/1197354467.db2.gz QCPTVINWVAKOMF-SFHVURJKSA-N 0 3 382.468 0.237 20 0 GCADHN CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000126306981 1197357385 /nfs/dbraw/zinc/35/73/85/1197357385.db2.gz ABDHIBJNPUMIHN-LJQANCHMSA-N 0 3 388.512 0.545 20 0 GCADHN O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000126885136 1197359006 /nfs/dbraw/zinc/35/90/06/1197359006.db2.gz DQIZCWQMJDIFJF-WOJBJXKFSA-N 0 3 392.463 0.956 20 0 GCADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@](C)(O)C1CC1 ZINC001709132053 1197361185 /nfs/dbraw/zinc/36/11/85/1197361185.db2.gz WYDQACCEKIKQHH-OXJNMPFZSA-N 0 3 390.532 0.744 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1F ZINC000127500917 1197361510 /nfs/dbraw/zinc/36/15/10/1197361510.db2.gz BZRFTJJLKUUQKB-INIZCTEOSA-N 0 3 376.432 0.838 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)CC1 ZINC000128593660 1197364170 /nfs/dbraw/zinc/36/41/70/1197364170.db2.gz YTFPNTKFVPZBMV-ROUUACIJSA-N 0 3 377.537 0.973 20 0 GCADHN CO[C@@H]1COC[C@@H]1NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000459316554 1197364875 /nfs/dbraw/zinc/36/48/75/1197364875.db2.gz MRFOUVPJZIAKOZ-RBUKOAKNSA-N 0 3 376.501 0.859 20 0 GCADHN COc1cc2c(cc1O)CCN(C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1)C2 ZINC000897475127 1197365988 /nfs/dbraw/zinc/36/59/88/1197365988.db2.gz LFYRGYUJBYZOKX-IBGZPJMESA-N 0 3 393.509 0.839 20 0 GCADHN CN(C(=O)Cn1ccc(=O)n(C)c1=O)C1CCN(CCc2ccccn2)CC1 ZINC000129375464 1197366777 /nfs/dbraw/zinc/36/67/77/1197366777.db2.gz WJTQZQFUCPNHCD-UHFFFAOYSA-N 0 3 385.468 0.108 20 0 GCADHN COc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C3)ncn1 ZINC001719919616 1197367743 /nfs/dbraw/zinc/36/77/43/1197367743.db2.gz UOSPFGNDTOLIOH-LNCBFAARSA-N 0 3 375.473 0.933 20 0 GCADHN COc1ccc(CN(CCO)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000897475610 1197369417 /nfs/dbraw/zinc/36/94/17/1197369417.db2.gz XNEQNOMLAQWYNL-LJQANCHMSA-N 0 3 395.525 0.570 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)NCC1CC1)C2)CC(C)(C)C ZINC001719927622 1197371688 /nfs/dbraw/zinc/37/16/88/1197371688.db2.gz XGCPWQYCLSLKSS-OAGGEKHMSA-N 0 3 378.517 0.739 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cnccc1=O)C2)N(C)C ZINC001719929096 1197372868 /nfs/dbraw/zinc/37/28/68/1197372868.db2.gz GODNSXDQSUPFHS-WCVJEAGWSA-N 0 3 375.473 0.222 20 0 GCADHN COCCN(CCN(C)C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000843790711 1197379007 /nfs/dbraw/zinc/37/90/07/1197379007.db2.gz NLQPPDYVFPNQLR-MSOLQXFVSA-N 0 3 393.484 0.795 20 0 GCADHN NCC(=O)N[C@@H](CO)c1nc(-c2cc(F)cc(Br)c2F)no1 ZINC001211956203 1197386042 /nfs/dbraw/zinc/38/60/42/1197386042.db2.gz PFBXVISOMBCVHE-QMMMGPOBSA-N 0 3 377.145 0.886 20 0 GCADHN CN(C)c1ncc(-c2noc([C@H](CO)NC(=O)CN)n2)cc1Br ZINC001211958950 1197386722 /nfs/dbraw/zinc/38/67/22/1197386722.db2.gz RSHXDSVKHLQLIS-VIFPVBQESA-N 0 3 385.222 0.068 20 0 GCADHN C[C@@H](C(=O)Nc1ccc(CCN(CCO)C(=O)[C@H](C)N(C)C)cc1)N(C)C ZINC000614842896 1197386768 /nfs/dbraw/zinc/38/67/68/1197386768.db2.gz VKTMQGLNRGRHKD-HOTGVXAUSA-N 0 3 378.517 0.889 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000614850017 1197388962 /nfs/dbraw/zinc/38/89/62/1197388962.db2.gz QKUVACXVPDKPDO-RNODOKPDSA-N 0 3 386.452 0.167 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000137090560 1197391495 /nfs/dbraw/zinc/39/14/95/1197391495.db2.gz KMNFBVYEFALKDV-AWEZNQCLSA-N 0 3 375.477 0.062 20 0 GCADHN CN(CC(=O)NCC1(N2CCOCC2)CCCCC1)c1ncnc2[nH]cnc21 ZINC000056123679 1197391769 /nfs/dbraw/zinc/39/17/69/1197391769.db2.gz FDEJTNLFIVAERC-UHFFFAOYSA-N 0 3 387.488 0.940 20 0 GCADHN O=C(Nc1nc(CN2CCOCC2)cs1)N[C@@H]1CCCN(CCCO)C1 ZINC000454279324 1197391955 /nfs/dbraw/zinc/39/19/55/1197391955.db2.gz PBYCLDHURRUTTP-CQSZACIVSA-N 0 3 383.518 0.944 20 0 GCADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000137700503 1197392335 /nfs/dbraw/zinc/39/23/35/1197392335.db2.gz LNZIENLDXATBTO-KRWDZBQOSA-N 0 3 380.514 0.768 20 0 GCADHN NS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000193858813 1197397216 /nfs/dbraw/zinc/39/72/16/1197397216.db2.gz GMKAGMGBTNYBTA-QGZVFWFLSA-N 0 3 380.514 0.683 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](c3nc(N(C)C)no3)C2)CC1=O ZINC000194479584 1197399350 /nfs/dbraw/zinc/39/93/50/1197399350.db2.gz ZPHVKVYBXHXIPW-ZIAGYGMSSA-N 0 3 378.477 0.252 20 0 GCADHN CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CCCOC1 ZINC000897494314 1197402567 /nfs/dbraw/zinc/40/25/67/1197402567.db2.gz NNPOMTHLNUNBKR-KURKYZTESA-N 0 3 382.549 0.698 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cc(C3CC3)no2)CC1 ZINC000897495154 1197402735 /nfs/dbraw/zinc/40/27/35/1197402735.db2.gz WROAXBYHIONTTP-AWEZNQCLSA-N 0 3 377.489 0.558 20 0 GCADHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000532759007 1197409532 /nfs/dbraw/zinc/40/95/32/1197409532.db2.gz YWYYHBKFUPCARZ-GDBMZVCRSA-N 0 3 398.463 0.930 20 0 GCADHN COC(=O)c1c(F)cccc1S(=O)(=O)NCCCCN1CCN(C)CC1 ZINC000532775711 1197411484 /nfs/dbraw/zinc/41/14/84/1197411484.db2.gz RRRBYNFCPYCVLX-UHFFFAOYSA-N 0 3 387.477 0.918 20 0 GCADHN C[C@@]1(n2cc(CNC[C@@H]3CCCN3c3cccnn3)cn2)CCS(=O)(=O)C1 ZINC000532866154 1197418261 /nfs/dbraw/zinc/41/82/61/1197418261.db2.gz XSKGDKVHPBCZGE-FUHWJXTLSA-N 0 3 390.513 0.965 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H](NC(=O)N(C)C)C2)CC1 ZINC000454605732 1197422651 /nfs/dbraw/zinc/42/26/51/1197422651.db2.gz BLYZVZKPPQWQCI-IRXDYDNUSA-N 0 3 382.553 0.705 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)CC1 ZINC000454605725 1197422798 /nfs/dbraw/zinc/42/27/98/1197422798.db2.gz BLYZVZKPPQWQCI-IAGOWNOFSA-N 0 3 382.553 0.705 20 0 GCADHN C[C@H](CNC(=O)N[C@H](C)C(=O)NCCc1ccccc1)CN1CCN(C)CC1 ZINC000454616381 1197423805 /nfs/dbraw/zinc/42/38/05/1197423805.db2.gz JYWHAKXQHIMMTF-QZTJIDSGSA-N 0 3 389.544 0.917 20 0 GCADHN COC[C@@]1(C(=O)OC)CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000454649595 1197424533 /nfs/dbraw/zinc/42/45/33/1197424533.db2.gz LCWZPIURPLUZBH-DNVCBOLYSA-N 0 3 398.504 0.150 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1 ZINC000533017548 1197427741 /nfs/dbraw/zinc/42/77/41/1197427741.db2.gz ZLRLUBABKCDXEN-CQSZACIVSA-N 0 3 381.498 0.670 20 0 GCADHN COC(=O)c1ccc(F)cc1S(=O)(=O)NCCCCN1CCN(C)CC1 ZINC000533096201 1197431976 /nfs/dbraw/zinc/43/19/76/1197431976.db2.gz VQHLWGHGVDNLJV-UHFFFAOYSA-N 0 3 387.477 0.918 20 0 GCADHN COCCn1nc(C)c(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1C ZINC000533136666 1197434429 /nfs/dbraw/zinc/43/44/29/1197434429.db2.gz WRDBIZZTHOWMRE-MRXNPFEDSA-N 0 3 395.504 0.654 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000533154188 1197434929 /nfs/dbraw/zinc/43/49/29/1197434929.db2.gz WBSBBESPHTZSDQ-RCCFBDPRSA-N 0 3 380.533 0.633 20 0 GCADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC[C@H](N2CCN(CC)CC2)C1 ZINC000245941175 1197440309 /nfs/dbraw/zinc/44/03/09/1197440309.db2.gz UWGLOCDISNDNOG-ROUUACIJSA-N 0 3 380.533 0.642 20 0 GCADHN Cn1cnc2cc(S(=O)(=O)NCCCN3CCC[C@@H](C(N)=O)C3)ccc21 ZINC000533308678 1197443377 /nfs/dbraw/zinc/44/33/77/1197443377.db2.gz UNGSZDNSEZTKEU-CYBMUJFWSA-N 0 3 379.486 0.439 20 0 GCADHN CN(CCN1CCN(CCN2CCCS2(=O)=O)CC1)Cc1ccccc1 ZINC000533325772 1197445016 /nfs/dbraw/zinc/44/50/16/1197445016.db2.gz PHGNOERBHVPHKC-UHFFFAOYSA-N 0 3 380.558 0.772 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)n(C)c1C ZINC000897514100 1197447551 /nfs/dbraw/zinc/44/75/51/1197447551.db2.gz WTHNMHOBQKCBFO-ZDUSSCGKSA-N 0 3 378.473 0.727 20 0 GCADHN CS(=O)(=O)N1CCc2c1cccc2NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000455139808 1197447967 /nfs/dbraw/zinc/44/79/67/1197447967.db2.gz HHEHBQXASPRKRV-CQSZACIVSA-N 0 3 396.513 0.977 20 0 GCADHN CCC1(C)CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000533401822 1197449133 /nfs/dbraw/zinc/44/91/33/1197449133.db2.gz SFXSMOVYCMWWSB-UHFFFAOYSA-N 0 3 380.533 0.502 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NCC(=O)c2cccs2)CC1 ZINC000533424781 1197450708 /nfs/dbraw/zinc/45/07/08/1197450708.db2.gz YUQRTUHSBUFRFG-UHFFFAOYSA-N 0 3 380.514 0.533 20 0 GCADHN Cn1cc(S(=O)(=O)[N-]c2ccc(CN3CC[NH+](C)CC3)cc2)cc1C(N)=O ZINC000533534613 1197458135 /nfs/dbraw/zinc/45/81/35/1197458135.db2.gz ZBAGMIGXTRQHIL-UHFFFAOYSA-N 0 3 391.497 0.672 20 0 GCADHN CN(CC(=O)NCc1cccnc1N1CCN(C)CC1)c1ncnc2[nH]cnc21 ZINC000066343535 1197464883 /nfs/dbraw/zinc/46/48/83/1197464883.db2.gz HGTWXLFLZKHFPY-UHFFFAOYSA-N 0 3 395.471 0.252 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(F)c(Cl)c2F)no1)C(N)=O ZINC001211998158 1197465440 /nfs/dbraw/zinc/46/54/40/1197465440.db2.gz FNBMACJGIQYFRD-IMTBSYHQSA-N 0 3 387.774 0.918 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cccc(OC(F)F)c2)no1)C(N)=O ZINC001211998163 1197465490 /nfs/dbraw/zinc/46/54/90/1197465490.db2.gz FUHNQQJPKNIGGM-GZMMTYOYSA-N 0 3 383.355 0.588 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(F)c3c2C(=O)CC3)no1)C(N)=O ZINC001211998177 1197465507 /nfs/dbraw/zinc/46/55/07/1197465507.db2.gz GQXZDMRHGXROMM-QPUJVOFHSA-N 0 3 389.387 0.255 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(C3OCCO3)cc2)no1)C(N)=O ZINC001211998485 1197465891 /nfs/dbraw/zinc/46/58/91/1197465891.db2.gz QZVBONVNLSGKCV-GXFFZTMASA-N 0 3 389.412 0.032 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(N3CCCC3)cc2)no1)C(N)=O ZINC001211998662 1197466190 /nfs/dbraw/zinc/46/61/90/1197466190.db2.gz VQXXYFUEKLTGQN-SWLSCSKDSA-N 0 3 386.456 0.587 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cccc(C(F)(F)F)n2)no1)C(N)=O ZINC001211998739 1197466214 /nfs/dbraw/zinc/46/62/14/1197466214.db2.gz ZHWPLEDXKNWHFJ-JGVFFNPUSA-N 0 3 386.334 0.400 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(CC(=O)NC3CCOCC3)CC2)CC1 ZINC000066568364 1197467587 /nfs/dbraw/zinc/46/75/87/1197467587.db2.gz RKUJNEJUCBBMSC-UHFFFAOYSA-N 0 3 380.533 0.548 20 0 GCADHN Cc1ncccc1-c1noc([C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)n1 ZINC001212000652 1197470028 /nfs/dbraw/zinc/47/00/28/1197470028.db2.gz RCJSTOFBGNKZPF-HOTGVXAUSA-N 0 3 383.408 0.865 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000246733806 1197474332 /nfs/dbraw/zinc/47/43/32/1197474332.db2.gz OTYGDXSLTIXDFE-DOTOQJQBSA-N 0 3 399.499 0.513 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000246964512 1197474549 /nfs/dbraw/zinc/47/45/49/1197474549.db2.gz IBJJLLLUJXPNAU-RDJZCZTQSA-N 0 3 388.468 0.393 20 0 GCADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)c1nc(-c2ncccc2Br)no1 ZINC001212023314 1197475593 /nfs/dbraw/zinc/47/55/93/1197475593.db2.gz YVZYIEIEMLXNFF-XPUUQOCRSA-N 0 3 383.206 0.274 20 0 GCADHN CN1CC[C@H](NC(=O)NC[C@](C)(O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000247911630 1197477640 /nfs/dbraw/zinc/47/76/40/1197477640.db2.gz AJABIKWWGVTVRG-BJLQDIEVSA-N 0 3 376.501 0.814 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000248964947 1197480604 /nfs/dbraw/zinc/48/06/04/1197480604.db2.gz ROLXEMYBXHVQTQ-OAGGEKHMSA-N 0 3 375.473 0.943 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CCN1Cc1ccccc1 ZINC000614903045 1197486209 /nfs/dbraw/zinc/48/62/09/1197486209.db2.gz OSXSLISJOQZIQW-OIISXLGYSA-N 0 3 380.514 0.681 20 0 GCADHN COC(=O)c1ccc(OC[C@H](O)CN2CCN(CCO)C(C)(C)C2)c(OC)c1 ZINC000614920609 1197487200 /nfs/dbraw/zinc/48/72/00/1197487200.db2.gz LSSOKGNLMJIYDX-MRXNPFEDSA-N 0 3 396.484 0.610 20 0 GCADHN CC(C)(C)NC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001482753382 1197487511 /nfs/dbraw/zinc/48/75/11/1197487511.db2.gz TZUJVGVZKHNXEW-ZQDZILKHSA-N 0 3 382.505 0.504 20 0 GCADHN Cn1cc2cccc(-c3noc([C@@H]4CCCN4C(=O)[C@@H](N)CCC(N)=O)n3)c2n1 ZINC001212074304 1197492364 /nfs/dbraw/zinc/49/23/64/1197492364.db2.gz MCPGUTYWQFZKSF-KBPBESRZSA-N 0 3 397.439 0.880 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CC[C@H](c2nccn2C)C1 ZINC000533718642 1197495235 /nfs/dbraw/zinc/49/52/35/1197495235.db2.gz KBEDNASUPARNEZ-JKSUJKDBSA-N 0 3 376.505 0.862 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)nc1 ZINC000666790045 1197498360 /nfs/dbraw/zinc/49/83/60/1197498360.db2.gz OYWRIKXJXXYABC-CYBMUJFWSA-N 0 3 383.474 0.365 20 0 GCADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000253547860 1197502238 /nfs/dbraw/zinc/50/22/38/1197502238.db2.gz AGYISDRGGHPUDL-RHSMWYFYSA-N 0 3 385.468 0.747 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)CN1CCC(C)CC1 ZINC000988753000 1197503135 /nfs/dbraw/zinc/50/31/35/1197503135.db2.gz LCUWMMALOCBORA-ZJPYXAASSA-N 0 3 380.533 0.543 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000261670403 1197511096 /nfs/dbraw/zinc/51/10/96/1197511096.db2.gz BXPNJUFUXYWHLY-CYBMUJFWSA-N 0 3 386.412 0.443 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000261690220 1197511384 /nfs/dbraw/zinc/51/13/84/1197511384.db2.gz FAHJBMUUSJMOEV-OAHLLOKOSA-N 0 3 392.410 0.400 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000261688937 1197511666 /nfs/dbraw/zinc/51/16/66/1197511666.db2.gz DVKKVDVIQCSEAQ-KRWDZBQOSA-N 0 3 388.541 0.772 20 0 GCADHN O=S(=O)(N1CCC2(CC1)OCCO2)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000261728724 1197512332 /nfs/dbraw/zinc/51/23/32/1197512332.db2.gz OEFLNVSYJMXTMA-MRXNPFEDSA-N 0 3 385.461 0.856 20 0 GCADHN COc1ccc(CCNC(=O)CN2CCNC[C@H]2c2nccn2C)cc1OC ZINC000261739473 1197513215 /nfs/dbraw/zinc/51/32/15/1197513215.db2.gz KMLIMFHGDNGTPD-INIZCTEOSA-N 0 3 387.484 0.743 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)Nc1ccccc1SCC(N)=O ZINC000261815440 1197515507 /nfs/dbraw/zinc/51/55/07/1197515507.db2.gz TWQZSZYJYYFWSY-CQSZACIVSA-N 0 3 388.497 0.583 20 0 GCADHN O=C(NC[C@H]1CCCN(S(=O)(=O)c2c[n-]c3ncccc23)C1)[C@H]1CCC[NH2+]1 ZINC000261919622 1197519157 /nfs/dbraw/zinc/51/91/57/1197519157.db2.gz UUZVUBFROUFGLR-UKRRQHHQSA-N 0 3 391.497 0.832 20 0 GCADHN CN(C(=O)CN1CCN(CCC(=O)N2CCNCC2)CC1)C1CCCCC1 ZINC000261984626 1197521531 /nfs/dbraw/zinc/52/15/31/1197521531.db2.gz CHKREDJMRRUMAH-UHFFFAOYSA-N 0 3 379.549 0.217 20 0 GCADHN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000262024510 1197522853 /nfs/dbraw/zinc/52/28/53/1197522853.db2.gz GKSRFIZJIKEMDS-KRWDZBQOSA-N 0 3 392.456 0.206 20 0 GCADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CCC(=O)N3CCNCC3)CC2)C1 ZINC000262031275 1197523081 /nfs/dbraw/zinc/52/30/81/1197523081.db2.gz GYKIRRRWTDCLKU-MSOLQXFVSA-N 0 3 379.549 0.121 20 0 GCADHN CCN(CCC(=O)N1CCNCC1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000262127796 1197526111 /nfs/dbraw/zinc/52/61/11/1197526111.db2.gz NTBYSSYRLNYSDX-UHFFFAOYSA-N 0 3 375.473 0.727 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000262232287 1197527611 /nfs/dbraw/zinc/52/76/11/1197527611.db2.gz VMRTXXLDHSMUHR-KRWDZBQOSA-N 0 3 381.521 0.709 20 0 GCADHN O=C(NC[C@H]1NCCc2ccccc21)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262303581 1197529215 /nfs/dbraw/zinc/52/92/15/1197529215.db2.gz BXFFYDQYKQFYNM-IEBWSBKVSA-N 0 3 386.496 0.170 20 0 GCADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1)CC2 ZINC000611658606 1197533544 /nfs/dbraw/zinc/53/35/44/1197533544.db2.gz WMDTVWZRRBBFAA-HUUCEWRRSA-N 0 3 392.504 0.092 20 0 GCADHN CC(C)N(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000648565634 1197535732 /nfs/dbraw/zinc/53/57/32/1197535732.db2.gz GWIZRKJKUGAPOP-MRXNPFEDSA-N 0 3 386.452 0.919 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000428583301 1197546150 /nfs/dbraw/zinc/54/61/50/1197546150.db2.gz RRMFIOCGFLCXTF-OAHLLOKOSA-N 0 3 385.534 0.639 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cnn(-c3ccccc3)n2)CC1(C)C ZINC000282069898 1197547864 /nfs/dbraw/zinc/54/78/64/1197547864.db2.gz QSROKYMZFARTKD-UHFFFAOYSA-N 0 3 385.472 0.348 20 0 GCADHN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)CNCCOC ZINC000429756616 1197554418 /nfs/dbraw/zinc/55/44/18/1197554418.db2.gz KMRCOYDHNBHVBF-UHFFFAOYSA-N 0 3 378.429 0.937 20 0 GCADHN Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000508720762 1197566277 /nfs/dbraw/zinc/56/62/77/1197566277.db2.gz SQBSUFXXYCNNGY-OAHLLOKOSA-N 0 3 399.495 0.812 20 0 GCADHN Cc1nccn1CCCCNC(=O)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000508729513 1197567166 /nfs/dbraw/zinc/56/71/66/1197567166.db2.gz KCWKQANWHHHLCX-INIZCTEOSA-N 0 3 391.516 0.800 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCc2ccccc2S(C)(=O)=O)C1 ZINC000611969740 1197571154 /nfs/dbraw/zinc/57/11/54/1197571154.db2.gz CPDFZFGFVVEJLH-AWEZNQCLSA-N 0 3 381.498 0.695 20 0 GCADHN CCc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n(C)n1 ZINC000536988684 1197587100 /nfs/dbraw/zinc/58/71/00/1197587100.db2.gz KRPBUANLSMQADZ-MRXNPFEDSA-N 0 3 376.505 0.548 20 0 GCADHN CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCN1C ZINC000999548388 1198948172 /nfs/dbraw/zinc/94/81/72/1198948172.db2.gz XPSHLYSKPHKKQD-JSRQGNBESA-N 0 3 376.501 0.728 20 0 GCADHN Cn1cnc(S(=O)(=O)N2CC3(C2)CCN(C(=O)[C@@H]2CCCN2C)CC3)c1 ZINC001272824683 1198967810 /nfs/dbraw/zinc/96/78/10/1198967810.db2.gz BIWHUYZDDFJFAS-AWEZNQCLSA-N 0 3 381.502 0.127 20 0 GCADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC000999793675 1198972860 /nfs/dbraw/zinc/97/28/60/1198972860.db2.gz QSGUVBOFLPROQQ-QSJFSLAZSA-N 0 3 375.473 0.814 20 0 GCADHN Cc1nonc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(C)(C)C1 ZINC000999968302 1198990135 /nfs/dbraw/zinc/99/01/35/1198990135.db2.gz WPVUXQPMOYWKPW-KBMXLJTQSA-N 0 3 375.473 0.901 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc2c1OCC2 ZINC000627299785 1198991842 /nfs/dbraw/zinc/99/18/42/1198991842.db2.gz FDLVJIHNPKCJPW-MRXNPFEDSA-N 0 3 388.468 0.619 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc2c1OCC2 ZINC000627299784 1198992071 /nfs/dbraw/zinc/99/20/71/1198992071.db2.gz FDLVJIHNPKCJPW-INIZCTEOSA-N 0 3 388.468 0.619 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000465649470 1199008472 /nfs/dbraw/zinc/00/84/72/1199008472.db2.gz BFCSORQXDAHGGF-INIZCTEOSA-N 0 3 394.520 0.523 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)C(C)(C)C)C1 ZINC000672020359 1199010025 /nfs/dbraw/zinc/01/00/25/1199010025.db2.gz RBSMOOJLCJEUNF-QGZVFWFLSA-N 0 3 388.512 0.998 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000265723911 1199027076 /nfs/dbraw/zinc/02/70/76/1199027076.db2.gz ZUHTZCGWJUGHAZ-INIZCTEOSA-N 0 3 392.500 0.887 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)nc1 ZINC000656022222 1199061613 /nfs/dbraw/zinc/06/16/13/1199061613.db2.gz VXAALHPAPRYJHF-KRWDZBQOSA-N 0 3 383.452 0.971 20 0 GCADHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000542813859 1199063924 /nfs/dbraw/zinc/06/39/24/1199063924.db2.gz OKLDAZSMTYDCPP-ZBFHGGJFSA-N 0 3 386.518 0.059 20 0 GCADHN C[C@@H](NC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)C1=CCN(C)CC1 ZINC000542822838 1199066525 /nfs/dbraw/zinc/06/65/25/1199066525.db2.gz NOCSIQFWCBEMLS-IAGOWNOFSA-N 0 3 393.532 0.211 20 0 GCADHN Cc1ccc([C@H](CNC(=O)NC[C@](C)(O)CN2CCOCC2)N(C)C)cc1 ZINC000465803736 1199071392 /nfs/dbraw/zinc/07/13/92/1199071392.db2.gz DFVYOWACUOACPP-ICSRJNTNSA-N 0 3 378.517 0.980 20 0 GCADHN Cc1ccc([C@H](CNC(=O)NC[C@@](C)(O)CN2CCOCC2)N(C)C)cc1 ZINC000465803735 1199071564 /nfs/dbraw/zinc/07/15/64/1199071564.db2.gz DFVYOWACUOACPP-AZUAARDMSA-N 0 3 378.517 0.980 20 0 GCADHN C[C@H]1Cc2cc(S(=O)(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)ccc2O1 ZINC000268771948 1199076504 /nfs/dbraw/zinc/07/65/04/1199076504.db2.gz FHSXMEXROMBIQE-YOEHRIQHSA-N 0 3 393.509 0.937 20 0 GCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N[C@@H]2CCN(CCOC)C2)c1 ZINC000265733246 1199085749 /nfs/dbraw/zinc/08/57/49/1199085749.db2.gz KYQLYRDYYTUKMI-UKRRQHHQSA-N 0 3 384.502 0.676 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000656075227 1199090593 /nfs/dbraw/zinc/09/05/93/1199090593.db2.gz FQFUNJOLYWMRFF-UHFFFAOYSA-N 0 3 380.533 0.642 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c(F)c1 ZINC000265745766 1199108557 /nfs/dbraw/zinc/10/85/57/1199108557.db2.gz ASIORPAJJSODSK-CYBMUJFWSA-N 0 3 394.447 0.551 20 0 GCADHN CCN(Cc1ccoc1)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000672111675 1199109387 /nfs/dbraw/zinc/10/93/87/1199109387.db2.gz ZBPHVJYESVWFLU-MRXNPFEDSA-N 0 3 378.473 0.687 20 0 GCADHN C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCN2CCOCC2)C1 ZINC001000479584 1199114676 /nfs/dbraw/zinc/11/46/76/1199114676.db2.gz YFGADEQNQKZSBK-BDXSIMOUSA-N 0 3 378.517 0.299 20 0 GCADHN C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1CCOCC1 ZINC001000469016 1199115750 /nfs/dbraw/zinc/11/57/50/1199115750.db2.gz NIEUSCGNZIHYON-BDXSIMOUSA-N 0 3 378.517 0.441 20 0 GCADHN COCCN1CC[C@@H](NC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000265750332 1199118143 /nfs/dbraw/zinc/11/81/43/1199118143.db2.gz PBQQCVSXEZAVJU-QGZVFWFLSA-N 0 3 389.500 0.355 20 0 GCADHN COC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000265752549 1199121809 /nfs/dbraw/zinc/12/18/09/1199121809.db2.gz FULRCMUVDOYAPZ-SFHVURJKSA-N 0 3 395.525 0.629 20 0 GCADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCCO[C@@H](CNCc2cncs2)C1 ZINC001078434745 1199129179 /nfs/dbraw/zinc/12/91/79/1199129179.db2.gz QQOKUKWMPPKRCK-NXNVCVFFSA-N 0 3 381.498 0.902 20 0 GCADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCCO[C@H](CNCc2cccnc2)C1 ZINC001078434529 1199129527 /nfs/dbraw/zinc/12/95/27/1199129527.db2.gz KEOYEXZMPNRHIG-ZSYWTGECSA-N 0 3 375.469 0.840 20 0 GCADHN C[C@@H](CCNC(=O)CN1CCC(C)(C)C1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001078479596 1199130234 /nfs/dbraw/zinc/13/02/34/1199130234.db2.gz DMDAQISRJLQWRQ-NBOOPKSLSA-N 0 3 381.517 0.781 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)NC2CCN(CCOC(C)C)CC2)C1=O ZINC000499465968 1199130517 /nfs/dbraw/zinc/13/05/17/1199130517.db2.gz AHIMMGLVEKQLCS-INIZCTEOSA-N 0 3 398.504 0.339 20 0 GCADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000265760481 1199132514 /nfs/dbraw/zinc/13/25/14/1199132514.db2.gz CXDPZIRPOAOXGB-UHFFFAOYSA-N 0 3 390.484 0.484 20 0 GCADHN Cn1nc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)ccc1=O ZINC000110855330 1199142297 /nfs/dbraw/zinc/14/22/97/1199142297.db2.gz KJPBCRFOQJDSKB-UHFFFAOYSA-N 0 3 383.452 0.536 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000265767961 1199145368 /nfs/dbraw/zinc/14/53/68/1199145368.db2.gz DZRFFNRGUIRFQE-AWEZNQCLSA-N 0 3 376.457 0.411 20 0 GCADHN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@H](N(C)Cc3ccccc3)C1)CC2 ZINC000672169029 1199151195 /nfs/dbraw/zinc/15/11/95/1199151195.db2.gz HGGVUZKCCQOCOW-ROUUACIJSA-N 0 3 396.495 0.750 20 0 GCADHN O=C(NCCN1CCN(c2ncccn2)CC1)N1CCN(C2CCCC2)CC1 ZINC000123312016 1199151376 /nfs/dbraw/zinc/15/13/76/1199151376.db2.gz NNXUZCCAQXRXRO-UHFFFAOYSA-N 0 3 387.532 0.868 20 0 GCADHN CN(C[C@@H](O)CNCC(=O)N1CCCCCCC1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001486300520 1199159672 /nfs/dbraw/zinc/15/96/72/1199159672.db2.gz DICQBHNDOMPLTO-MLHJIOFPSA-N 0 3 381.517 0.756 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)NCCN3CCCS3(=O)=O)CC2)c1 ZINC000172722500 1199164232 /nfs/dbraw/zinc/16/42/32/1199164232.db2.gz AVPODQYFGZDTGF-UHFFFAOYSA-N 0 3 394.541 0.659 20 0 GCADHN COCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000656354804 1199189141 /nfs/dbraw/zinc/18/91/41/1199189141.db2.gz DPBPCGCYDFSHNK-IAGOWNOFSA-N 0 3 394.516 0.121 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000672304275 1199196969 /nfs/dbraw/zinc/19/69/69/1199196969.db2.gz QLUNIOPAGAJJCG-MSOLQXFVSA-N 0 3 399.495 0.289 20 0 GCADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672307198 1199200168 /nfs/dbraw/zinc/20/01/68/1199200168.db2.gz PJPXAVIWZJTPNA-LPHOPBHVSA-N 0 3 385.512 0.887 20 0 GCADHN Cc1nc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)cs1 ZINC000672309885 1199201184 /nfs/dbraw/zinc/20/11/84/1199201184.db2.gz ZLYGJDDDZHYJNJ-INIZCTEOSA-N 0 3 391.541 0.696 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000672311152 1199201602 /nfs/dbraw/zinc/20/16/02/1199201602.db2.gz YESQLDLIGMKKSC-CHWSQXEVSA-N 0 3 390.406 0.256 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672310822 1199202337 /nfs/dbraw/zinc/20/23/37/1199202337.db2.gz JDKUTVSAWAJWAK-SJORKVTESA-N 0 3 376.501 0.494 20 0 GCADHN Cc1csc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)n1 ZINC000672311258 1199202764 /nfs/dbraw/zinc/20/27/64/1199202764.db2.gz BEQXLHVOWIQCQO-HNNXBMFYSA-N 0 3 377.514 0.701 20 0 GCADHN C[C@@H](N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1)C(F)(F)F ZINC000672310550 1199202917 /nfs/dbraw/zinc/20/29/17/1199202917.db2.gz YHMXXBSZNGCVCT-OCCSQVGLSA-N 0 3 376.423 0.682 20 0 GCADHN CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672310774 1199203274 /nfs/dbraw/zinc/20/32/74/1199203274.db2.gz HVGCNAAGAQVGMJ-IAGOWNOFSA-N 0 3 378.517 0.742 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000672308977 1199203878 /nfs/dbraw/zinc/20/38/78/1199203878.db2.gz HQMWHJJHTRBWOR-HNNXBMFYSA-N 0 3 375.448 0.470 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000672308978 1199204485 /nfs/dbraw/zinc/20/44/85/1199204485.db2.gz HQMWHJJHTRBWOR-OAHLLOKOSA-N 0 3 375.448 0.470 20 0 GCADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000265792745 1199213385 /nfs/dbraw/zinc/21/33/85/1199213385.db2.gz OLXWIYFGGSYKMG-CQSZACIVSA-N 0 3 397.545 0.908 20 0 GCADHN COCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000672358018 1199215549 /nfs/dbraw/zinc/21/55/49/1199215549.db2.gz NXFNFBGSGSEDGV-RBUKOAKNSA-N 0 3 388.512 0.556 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)C1 ZINC000672367235 1199220220 /nfs/dbraw/zinc/22/02/20/1199220220.db2.gz DLJFTRODCPNPNY-RBUKOAKNSA-N 0 3 389.496 0.889 20 0 GCADHN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CC2 ZINC000672393437 1199226096 /nfs/dbraw/zinc/22/60/96/1199226096.db2.gz CIPLFCRTGPUTOZ-OALUTQOASA-N 0 3 398.507 0.864 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000672442471 1199234946 /nfs/dbraw/zinc/23/49/46/1199234946.db2.gz XNBWOFPROHZNQJ-SJORKVTESA-N 0 3 397.516 0.398 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459628 1199238415 /nfs/dbraw/zinc/23/84/15/1199238415.db2.gz PLEQTXAJSQPVAI-OAHLLOKOSA-N 0 3 387.484 0.035 20 0 GCADHN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000672455773 1199239187 /nfs/dbraw/zinc/23/91/87/1199239187.db2.gz PEWZTOQRHFPHKV-HZPDHXFCSA-N 0 3 399.495 0.177 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)c1cnccn1)C(=O)c1cnccn1 ZINC000672466501 1199240982 /nfs/dbraw/zinc/24/09/82/1199240982.db2.gz HXCXDLQXUKGAHO-UHFFFAOYSA-N 0 3 383.456 0.577 20 0 GCADHN CN(CCN(CCN1CCCC1)C(=O)[C@](C)(O)C1CC1)C(=O)[C@@](C)(O)C1CC1 ZINC000672466757 1199241083 /nfs/dbraw/zinc/24/10/83/1199241083.db2.gz BVSUDBZGZMDBLS-LEWJYISDSA-N 0 3 395.544 0.691 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)N1CCC(C)CC1)C2)N(C)C ZINC001002726865 1199245877 /nfs/dbraw/zinc/24/58/77/1199245877.db2.gz HIHWAUYNQNYCTK-VQHPVUNQSA-N 0 3 378.517 0.833 20 0 GCADHN CC(C)N(CCN(C)C)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672511531 1199252843 /nfs/dbraw/zinc/25/28/43/1199252843.db2.gz NGYXRGFOEBDIOR-UHFFFAOYSA-N 0 3 398.529 0.497 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnc4cccnn42)C3)C1 ZINC001002748982 1199257027 /nfs/dbraw/zinc/25/70/27/1199257027.db2.gz OWLAMEOGEYCDAA-JJXSEGSLSA-N 0 3 382.468 0.933 20 0 GCADHN Cc1c(CNC(=O)C(=O)N(C)C2CCN(CCc3ccccn3)CC2)cnn1C ZINC000672533186 1199260008 /nfs/dbraw/zinc/26/00/08/1199260008.db2.gz UXCWPHVWEWWYMD-UHFFFAOYSA-N 0 3 398.511 0.905 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)N(C)Cc1ccccc1 ZINC000672588503 1199274633 /nfs/dbraw/zinc/27/46/33/1199274633.db2.gz RCGWVXMKODJEEY-RYRKJORJSA-N 0 3 376.501 0.458 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)N(C)Cc1ccccc1 ZINC000672588502 1199275161 /nfs/dbraw/zinc/27/51/61/1199275161.db2.gz RCGWVXMKODJEEY-BQFCYCMXSA-N 0 3 376.501 0.458 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000672596850 1199277069 /nfs/dbraw/zinc/27/70/69/1199277069.db2.gz SDNWUBWKSDRCGQ-RTBURBONSA-N 0 3 387.528 0.081 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000672598517 1199279212 /nfs/dbraw/zinc/27/92/12/1199279212.db2.gz ZYAIAGRNUVNRCS-KZNAEPCWSA-N 0 3 380.533 0.737 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H]1CCOC[C@H]1OCCOC ZINC000672655038 1199309931 /nfs/dbraw/zinc/30/99/31/1199309931.db2.gz PTCJLYSOLIVGCV-BRWVUGGUSA-N 0 3 385.505 0.304 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000672655320 1199310114 /nfs/dbraw/zinc/31/01/14/1199310114.db2.gz KUZYYNZWDSOZQE-MSOLQXFVSA-N 0 3 380.533 0.690 20 0 GCADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCOC[C@@H]1OCCOC ZINC000672655039 1199310503 /nfs/dbraw/zinc/31/05/03/1199310503.db2.gz PTCJLYSOLIVGCV-IKGGRYGDSA-N 0 3 385.505 0.304 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000672693725 1199315131 /nfs/dbraw/zinc/31/51/31/1199315131.db2.gz ZKMXPGYLYUOTNN-LSDHHAIUSA-N 0 3 377.464 0.906 20 0 GCADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CC)CN2CCCC2)CC1 ZINC000672693966 1199315191 /nfs/dbraw/zinc/31/51/91/1199315191.db2.gz IFWKXAQKYMUSJP-SJORKVTESA-N 0 3 395.548 0.036 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000672696281 1199315603 /nfs/dbraw/zinc/31/56/03/1199315603.db2.gz BJIZBVLTMOKUQJ-STQMWFEESA-N 0 3 392.422 0.647 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672697585 1199316526 /nfs/dbraw/zinc/31/65/26/1199316526.db2.gz ZJUIELXATJTPCT-IRXDYDNUSA-N 0 3 378.517 0.884 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC000672693205 1199317477 /nfs/dbraw/zinc/31/74/77/1199317477.db2.gz QWXFHCSZURAZAV-BRWVUGGUSA-N 0 3 396.532 0.367 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCCN(c2nc(C)ns2)CC1 ZINC000672698174 1199318818 /nfs/dbraw/zinc/31/88/18/1199318818.db2.gz LRTDAWXUNDONRM-OAHLLOKOSA-N 0 3 394.545 0.876 20 0 GCADHN COc1ccc([C@H](CN(C)C)NC(=O)NCCCN(C)S(C)(=O)=O)cc1 ZINC000672735956 1199324509 /nfs/dbraw/zinc/32/45/09/1199324509.db2.gz VFQZCWVDLLJTOK-INIZCTEOSA-N 0 3 386.518 0.879 20 0 GCADHN CN1CCN(c2ncccc2CNC(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000672771956 1199331707 /nfs/dbraw/zinc/33/17/07/1199331707.db2.gz DEKYWHZRNPRIMG-UHFFFAOYSA-N 0 3 390.532 0.432 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1csc(N(C)C)n1 ZINC000672808916 1199339846 /nfs/dbraw/zinc/33/98/46/1199339846.db2.gz ZSFJKWAWMBABLG-AWEZNQCLSA-N 0 3 383.518 0.395 20 0 GCADHN COc1c(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cccc1C(N)=O ZINC000543001386 1199340150 /nfs/dbraw/zinc/34/01/50/1199340150.db2.gz NRIPKUMCZSWXPK-QGZVFWFLSA-N 0 3 380.470 0.286 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCNC1=O)N1CCCCC1 ZINC001002922778 1199343199 /nfs/dbraw/zinc/34/31/99/1199343199.db2.gz WWBSRMBKUXELDR-QXSJWSMHSA-N 0 3 376.501 0.635 20 0 GCADHN C[C@@H]1CC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H](C)C1 ZINC000672916703 1199366597 /nfs/dbraw/zinc/36/65/97/1199366597.db2.gz CDHVDZJJWWLHJW-HOTGVXAUSA-N 0 3 378.517 0.694 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCN1C ZINC001003024558 1199391330 /nfs/dbraw/zinc/39/13/30/1199391330.db2.gz JYCYXIKNECUNKR-KBXIAJHMSA-N 0 3 375.477 0.139 20 0 GCADHN CC(C)OCCNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000673007889 1199392214 /nfs/dbraw/zinc/39/22/14/1199392214.db2.gz XPVKYGPWMJHFGP-UHFFFAOYSA-N 0 3 390.528 0.804 20 0 GCADHN CC(C)c1nnnn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001003026194 1199392772 /nfs/dbraw/zinc/39/27/72/1199392772.db2.gz SOIGDVMHOSFHJT-KFWWJZLASA-N 0 3 375.477 0.140 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000078484614 1199397543 /nfs/dbraw/zinc/39/75/43/1199397543.db2.gz CGLUOTAOXAIDMY-AWEZNQCLSA-N 0 3 377.489 0.448 20 0 GCADHN C[C@@H](O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000543053676 1199407687 /nfs/dbraw/zinc/40/76/87/1199407687.db2.gz ABHWAGKBIQUNNY-ZIAGYGMSSA-N 0 3 390.484 0.598 20 0 GCADHN CC[C@H](NC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000543063529 1199412989 /nfs/dbraw/zinc/41/29/89/1199412989.db2.gz QLLRYJLYLQVFNC-DNUAJFIVSA-N 0 3 385.530 0.845 20 0 GCADHN C[C@H](NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CN(C)CCO1 ZINC000673096081 1199417288 /nfs/dbraw/zinc/41/72/88/1199417288.db2.gz XCQKSKFPMPVHFW-YJBOKZPZSA-N 0 3 388.512 0.037 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)C2CCC2)C1 ZINC001003117563 1199421586 /nfs/dbraw/zinc/42/15/86/1199421586.db2.gz QZOFOCZRUVBIJO-NHMWIVBRSA-N 0 3 376.501 0.634 20 0 GCADHN CCN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)C2CCC2)C1 ZINC001003190852 1199445411 /nfs/dbraw/zinc/44/54/11/1199445411.db2.gz SMQARXYJQQNARF-ZJPYXAASSA-N 0 3 378.517 0.440 20 0 GCADHN COc1ccc(Cn2nccc2NC(=O)C(=O)N[C@@H](C)CN(C)C)c(OC)c1 ZINC000673149876 1199457057 /nfs/dbraw/zinc/45/70/57/1199457057.db2.gz DTJVRKPDGSDXKE-ZDUSSCGKSA-N 0 3 389.456 0.953 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000673148202 1199457240 /nfs/dbraw/zinc/45/72/40/1199457240.db2.gz PGRMKQBRJZWJTD-KRWDZBQOSA-N 0 3 381.448 0.890 20 0 GCADHN CCCC[C@@H](CC)CN1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H](C1)O2 ZINC001272982233 1199458052 /nfs/dbraw/zinc/45/80/52/1199458052.db2.gz PAPZREYZDYAJLM-WCXIOVBPSA-N 0 3 387.546 0.806 20 0 GCADHN CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001272982287 1199458500 /nfs/dbraw/zinc/45/85/00/1199458500.db2.gz PUIJKHMTTVZVAC-NCOADZHNSA-N 0 3 387.546 0.806 20 0 GCADHN O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001272982725 1199465872 /nfs/dbraw/zinc/46/58/72/1199465872.db2.gz YQJOFPCUODGTRB-WMZOPIPTSA-N 0 3 380.514 0.911 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C3)CCC1 ZINC001003288755 1199478156 /nfs/dbraw/zinc/47/81/56/1199478156.db2.gz MAVMMZFNNHOSEM-JJXSEGSLSA-N 0 3 376.501 0.635 20 0 GCADHN Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1=O ZINC000543108164 1199479202 /nfs/dbraw/zinc/47/92/02/1199479202.db2.gz RJSFKINGUGAOEZ-SJORKVTESA-N 0 3 389.500 0.671 20 0 GCADHN Cn1ccnc1CN1CCC[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1=O ZINC000543108159 1199479330 /nfs/dbraw/zinc/47/93/30/1199479330.db2.gz RJSFKINGUGAOEZ-DLBZAZTESA-N 0 3 389.500 0.671 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C(C)(C)C)n1)C2)N(C)C ZINC001003300920 1199485856 /nfs/dbraw/zinc/48/58/56/1199485856.db2.gz DORDLWFEVTYAOQ-SYQHCUMBSA-N 0 3 377.493 0.630 20 0 GCADHN CCOC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000265824643 1199487715 /nfs/dbraw/zinc/48/77/15/1199487715.db2.gz NKVMUJUBWFQFQP-HNNXBMFYSA-N 0 3 390.484 0.802 20 0 GCADHN CCN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)C2CCC2)CC1=O ZINC001003347203 1199504105 /nfs/dbraw/zinc/50/41/05/1199504105.db2.gz SDUOJUCPUPHOLB-DZUCGIPZSA-N 0 3 376.501 0.587 20 0 GCADHN CCN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)C2CCC2)CC1=O ZINC001003347209 1199504130 /nfs/dbraw/zinc/50/41/30/1199504130.db2.gz SDUOJUCPUPHOLB-SVGFKBNWSA-N 0 3 376.501 0.587 20 0 GCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n(C)o1 ZINC001003357457 1199507167 /nfs/dbraw/zinc/50/71/67/1199507167.db2.gz VPXZBQIOWNDPFD-APIJFGDWSA-N 0 3 376.457 0.714 20 0 GCADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCOCC1 ZINC001003355235 1199507288 /nfs/dbraw/zinc/50/72/88/1199507288.db2.gz MJMIRKXPDJEIKD-BDXSIMOUSA-N 0 3 378.517 0.441 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000067283457 1199507445 /nfs/dbraw/zinc/50/74/45/1199507445.db2.gz FQXRHSVCPZQQJW-HNNXBMFYSA-N 0 3 394.497 0.618 20 0 GCADHN CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2nccn2)c1 ZINC001003362453 1199511004 /nfs/dbraw/zinc/51/10/04/1199511004.db2.gz YGHOLVBWTNSTQC-KURKYZTESA-N 0 3 382.468 0.902 20 0 GCADHN Cc1noc(CCCN2CCC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)n1 ZINC001003364438 1199511232 /nfs/dbraw/zinc/51/12/32/1199511232.db2.gz AXCAHSJVYWVVQL-QILLFSRXSA-N 0 3 378.473 0.943 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2OCCOC)CC1 ZINC000067344941 1199513839 /nfs/dbraw/zinc/51/38/39/1199513839.db2.gz LTOUDUNIMBZUOK-MRXNPFEDSA-N 0 3 392.500 0.793 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2OCCOC)CC1 ZINC000067344940 1199514232 /nfs/dbraw/zinc/51/42/32/1199514232.db2.gz LTOUDUNIMBZUOK-INIZCTEOSA-N 0 3 392.500 0.793 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(N)=O)cs1)C2 ZINC001003381409 1199516653 /nfs/dbraw/zinc/51/66/53/1199516653.db2.gz GTCIVPDZAGZWPD-YIYPIFLZSA-N 0 3 376.482 0.803 20 0 GCADHN CC[C@@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000271644123 1199517588 /nfs/dbraw/zinc/51/75/88/1199517588.db2.gz HWDBQXSWJMBPDA-LJQANCHMSA-N 0 3 388.512 0.730 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000673288311 1199519041 /nfs/dbraw/zinc/51/90/41/1199519041.db2.gz JUUYJCGKRFBMPI-MJGOQNOKSA-N 0 3 388.512 0.859 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000673288309 1199519677 /nfs/dbraw/zinc/51/96/77/1199519677.db2.gz JUUYJCGKRFBMPI-HKUYNNGSSA-N 0 3 388.512 0.859 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1)[C@@H]1CN(C)CCO1 ZINC000673293077 1199522868 /nfs/dbraw/zinc/52/28/68/1199522868.db2.gz VJAKPVVHZQYEKA-MSOLQXFVSA-N 0 3 394.560 0.984 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)N1CCCC1 ZINC000067497004 1199526947 /nfs/dbraw/zinc/52/69/47/1199526947.db2.gz YFDQEIKOXUZZQN-SNVBAGLBSA-N 0 3 389.424 0.907 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000673306290 1199531166 /nfs/dbraw/zinc/53/11/66/1199531166.db2.gz KGWFFTWSDNNNLS-MRXNPFEDSA-N 0 3 378.517 0.836 20 0 GCADHN Cn1nccc1N1CCC[C@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1=O ZINC000922173089 1199534102 /nfs/dbraw/zinc/53/41/02/1199534102.db2.gz XWTZGYRBHYLRCI-CVEARBPZSA-N 0 3 390.488 0.468 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000673322217 1199542430 /nfs/dbraw/zinc/54/24/30/1199542430.db2.gz FLUBIEXNHFLHCK-KFKAGJAMSA-N 0 3 386.496 0.893 20 0 GCADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000673330364 1199543549 /nfs/dbraw/zinc/54/35/49/1199543549.db2.gz ZOOYADRGNISUTH-IBGZPJMESA-N 0 3 389.496 0.489 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000673338023 1199553537 /nfs/dbraw/zinc/55/35/37/1199553537.db2.gz MNURYNFRXAZXSR-FGTMMUONSA-N 0 3 397.516 0.400 20 0 GCADHN CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C[C@H]1CC=CCC1 ZINC000543172018 1199557240 /nfs/dbraw/zinc/55/72/40/1199557240.db2.gz IKBXXHVUOHYVOC-SFHVURJKSA-N 0 3 378.517 0.278 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673354098 1199568557 /nfs/dbraw/zinc/56/85/57/1199568557.db2.gz MLLGZZFPENGPAH-KSZLIROESA-N 0 3 390.528 0.979 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000673355233 1199569639 /nfs/dbraw/zinc/56/96/39/1199569639.db2.gz CIHVZRGTYMUBQP-QGZVFWFLSA-N 0 3 380.533 0.940 20 0 GCADHN CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ncccc13)C2)C1CC1 ZINC001003521964 1199578815 /nfs/dbraw/zinc/57/88/15/1199578815.db2.gz LWTSQTNFCPEBKH-WCZJQEMASA-N 0 3 382.468 0.931 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1CCOC)C2)N(C)C ZINC001003582514 1199594427 /nfs/dbraw/zinc/59/44/27/1199594427.db2.gz JYBPWHHTQKBKES-WCVJEAGWSA-N 0 3 377.489 0.731 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1CCOC)C2)N(C)C ZINC001003582511 1199594570 /nfs/dbraw/zinc/59/45/70/1199594570.db2.gz JYBPWHHTQKBKES-FPCVCCKLSA-N 0 3 377.489 0.731 20 0 GCADHN CN(C)S(=O)(=O)CC(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000543283103 1199627860 /nfs/dbraw/zinc/62/78/60/1199627860.db2.gz VFLXHJQLULVEQD-AWEZNQCLSA-N 0 3 382.486 0.214 20 0 GCADHN C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCO1 ZINC000673433973 1199642103 /nfs/dbraw/zinc/64/21/03/1199642103.db2.gz CGICOPOPCXTRAY-ZACQAIPSSA-N 0 3 394.516 0.073 20 0 GCADHN Cc1cn2c(n1)C[C@H](C(=O)N[C@@H]1C[C@H]3CC[C@@H]1N3C(=O)Cc1c[nH]cn1)CC2 ZINC001003723488 1199645980 /nfs/dbraw/zinc/64/59/80/1199645980.db2.gz QEQHCSNGXWOKKV-DZUCGIPZSA-N 0 3 382.468 0.968 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3c(n1)COCC3)C2)N(C)C ZINC001003724782 1199646025 /nfs/dbraw/zinc/64/60/25/1199646025.db2.gz AAMKZFXDWSQIKZ-VDERGJSUSA-N 0 3 375.473 0.615 20 0 GCADHN CN(C)S(=O)(=O)CCCN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466366659 1199651456 /nfs/dbraw/zinc/65/14/56/1199651456.db2.gz KJNOQPXUMZAKLP-GOSISDBHSA-N 0 3 394.497 0.464 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc1N1CCCS1(=O)=O ZINC000265845958 1199651658 /nfs/dbraw/zinc/65/16/58/1199651658.db2.gz AHLBAMZDEFBUIK-CYBMUJFWSA-N 0 3 382.486 0.540 20 0 GCADHN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c(C(=O)NC2CC2)c1 ZINC000265846303 1199653526 /nfs/dbraw/zinc/65/35/26/1199653526.db2.gz TWSRSNHZDIKNOD-ZDUSSCGKSA-N 0 3 388.468 0.936 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCC[S@](C)=O)c(C)c2)CC1 ZINC000117067239 1199658082 /nfs/dbraw/zinc/65/80/82/1199658082.db2.gz KJZQVOWQCSAHCJ-HHHXNRCGSA-N 0 3 394.541 0.960 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)C2)C1CCC1 ZINC001003771370 1199660882 /nfs/dbraw/zinc/66/08/82/1199660882.db2.gz OMRZLKASVRUOPS-WCVJEAGWSA-N 0 3 377.489 0.262 20 0 GCADHN O=C(Cc1c[nH]cn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)C2 ZINC001003790438 1199668486 /nfs/dbraw/zinc/66/84/86/1199668486.db2.gz RJFUPJMYSLLCNL-BZPMIXESSA-N 0 3 381.396 0.491 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccc4ncnn42)C3)C1 ZINC001003823166 1199677393 /nfs/dbraw/zinc/67/73/93/1199677393.db2.gz RPBCFKFGGMCBNX-JJXSEGSLSA-N 0 3 382.468 0.933 20 0 GCADHN Cn1nnc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@@H]3CCCN3C)ccc21 ZINC001003857990 1199690754 /nfs/dbraw/zinc/69/07/54/1199690754.db2.gz JBFZEFYGRVPFSH-KNCCTNLNSA-N 0 3 382.468 0.924 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1=O ZINC000499748893 1199694494 /nfs/dbraw/zinc/69/44/94/1199694494.db2.gz FNSIWJUXJAGKCN-RDJZCZTQSA-N 0 3 390.484 0.970 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C3)CCC1 ZINC001003899461 1199701478 /nfs/dbraw/zinc/70/14/78/1199701478.db2.gz QIWROXMNWZPVDC-JJXSEGSLSA-N 0 3 376.501 0.587 20 0 GCADHN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000673484586 1199704010 /nfs/dbraw/zinc/70/40/10/1199704010.db2.gz BEVXQKBPZGOPSZ-PKOBYXMFSA-N 0 3 388.447 0.477 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC(=O)NC2)C3)C1 ZINC001003906850 1199705426 /nfs/dbraw/zinc/70/54/26/1199705426.db2.gz YOSOYNRBOCDUIK-JJXSEGSLSA-N 0 3 376.501 0.493 20 0 GCADHN C[C@@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2 ZINC001003950530 1199720693 /nfs/dbraw/zinc/72/06/93/1199720693.db2.gz JTADVFNEKMIGIM-FPCVCCKLSA-N 0 3 377.489 0.134 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673517498 1199727069 /nfs/dbraw/zinc/72/70/69/1199727069.db2.gz UTTLUTRYWZFDQE-KZNAEPCWSA-N 0 3 388.447 0.572 20 0 GCADHN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673519067 1199727295 /nfs/dbraw/zinc/72/72/95/1199727295.db2.gz WDNIUMJHVSVXGS-ZIAGYGMSSA-N 0 3 382.420 0.810 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673514985 1199728747 /nfs/dbraw/zinc/72/87/47/1199728747.db2.gz LPCFQKHKJLKGCN-IRXDYDNUSA-N 0 3 395.525 0.997 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](CO)CN(C)C ZINC000673521843 1199730140 /nfs/dbraw/zinc/73/01/40/1199730140.db2.gz SMKJGZGETUFDRC-HNNXBMFYSA-N 0 3 383.514 0.822 20 0 GCADHN COc1ccc(CCN2C[C@H](C(=O)N[C@H](CO)CN(C)C)CC2=O)cc1OC ZINC000673523921 1199730867 /nfs/dbraw/zinc/73/08/67/1199730867.db2.gz XFUFRBKGHGIICE-CVEARBPZSA-N 0 3 393.484 0.134 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000673520790 1199734021 /nfs/dbraw/zinc/73/40/21/1199734021.db2.gz KOLGSPHFAYJNQI-QGZVFWFLSA-N 0 3 397.541 0.833 20 0 GCADHN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC000673529677 1199735453 /nfs/dbraw/zinc/73/54/53/1199735453.db2.gz AYQOHSFCEBLDID-HOCLYGCPSA-N 0 3 383.514 0.950 20 0 GCADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000673530427 1199735615 /nfs/dbraw/zinc/73/56/15/1199735615.db2.gz GVUKFHBMBVDUOX-FUHWJXTLSA-N 0 3 395.525 0.803 20 0 GCADHN C[C@@H](C(=O)N[C@H](CO)CN1CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000673530023 1199736055 /nfs/dbraw/zinc/73/60/55/1199736055.db2.gz BMNUOHYLQSJKLF-WMZOPIPTSA-N 0 3 378.492 0.909 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC000673533553 1199746951 /nfs/dbraw/zinc/74/69/51/1199746951.db2.gz QJCMVFITIDWJDT-INIZCTEOSA-N 0 3 383.514 0.902 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC000673533766 1199747077 /nfs/dbraw/zinc/74/70/77/1199747077.db2.gz UJLPYXFEQPJFAC-INIZCTEOSA-N 0 3 383.514 0.904 20 0 GCADHN CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nncn3c1)C2)C1CC1 ZINC001004016850 1199749717 /nfs/dbraw/zinc/74/97/17/1199749717.db2.gz LZQXPCHNWDSJKO-CBZIJGRNSA-N 0 3 382.468 0.931 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000499799589 1199763040 /nfs/dbraw/zinc/76/30/40/1199763040.db2.gz RTKDAXOEBFWOTH-IRXDYDNUSA-N 0 3 388.468 0.724 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)c(OC)co1)C2)N(C)C ZINC001004107937 1199775918 /nfs/dbraw/zinc/77/59/18/1199775918.db2.gz YQLDIKUHQZMCSK-SYQHCUMBSA-N 0 3 377.441 0.850 20 0 GCADHN O=C(Nc1ccnc(OCCO)c1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000657827727 1199777798 /nfs/dbraw/zinc/77/77/98/1199777798.db2.gz QBSRMYLDYITDFG-INIZCTEOSA-N 0 3 376.457 0.868 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@](C)(O)[C@@H](C)c2ccccc2)CC1=O ZINC000673549538 1199781805 /nfs/dbraw/zinc/78/18/05/1199781805.db2.gz MEGKWTZMBKKTBG-CDXJDZJCSA-N 0 3 391.512 0.836 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c(OC)cccc2OC)CC1=O ZINC000673549979 1199784334 /nfs/dbraw/zinc/78/43/34/1199784334.db2.gz IYMRVOLKUVHEED-AWEZNQCLSA-N 0 3 379.457 0.613 20 0 GCADHN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000673549935 1199784589 /nfs/dbraw/zinc/78/45/89/1199784589.db2.gz YHOXTWSZLUGBIW-JKSUJKDBSA-N 0 3 382.505 0.073 20 0 GCADHN CN1CCN(CCCCNC(=O)NC[C@H](O)COc2ccc(F)cc2)CC1 ZINC000154031629 1199785711 /nfs/dbraw/zinc/78/57/11/1199785711.db2.gz HFTIEFPYJGWGQQ-KRWDZBQOSA-N 0 3 382.480 0.892 20 0 GCADHN CC[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)N1CCOCC1)C2)N(C)C ZINC001004152202 1199794794 /nfs/dbraw/zinc/79/47/94/1199794794.db2.gz COCLSRXPNAAUKC-VQHPVUNQSA-N 0 3 380.533 0.686 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCCN(C(C)C)CC2)[C@@H](C)O)cc1 ZINC000499918896 1199812846 /nfs/dbraw/zinc/81/28/46/1199812846.db2.gz XNEZZXVMWBCJEU-SJLPKXTDSA-N 0 3 397.541 0.965 20 0 GCADHN O=C(CN1CCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnc3ccccc3n1)C2 ZINC001004213274 1199816257 /nfs/dbraw/zinc/81/62/57/1199816257.db2.gz ACIOACWKJBAVAQ-XYPHTWIQSA-N 0 3 380.452 0.982 20 0 GCADHN CNC(=O)COc1ccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000282364696 1199837221 /nfs/dbraw/zinc/83/72/21/1199837221.db2.gz 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ZINC000674324054 1200220695 /nfs/dbraw/zinc/22/06/95/1200220695.db2.gz JLIMOMQDUDZKKF-UHFFFAOYSA-N 0 3 387.477 0.721 20 0 GCADHN COC1CCN(CCNC(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000674328521 1200222151 /nfs/dbraw/zinc/22/21/51/1200222151.db2.gz NJSXSEKKRPGZJO-UHFFFAOYSA-N 0 3 398.529 0.516 20 0 GCADHN COC1CCN(CCNC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000674328561 1200222290 /nfs/dbraw/zinc/22/22/90/1200222290.db2.gz OLORXBRMVCFQBV-GOSISDBHSA-N 0 3 386.562 0.604 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)NCCN2CCC(OC)CC2)c1 ZINC000674328032 1200222342 /nfs/dbraw/zinc/22/23/42/1200222342.db2.gz IIQIQSXNZRPKCJ-UHFFFAOYSA-N 0 3 378.473 0.721 20 0 GCADHN COC1CCN(CCNC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000674331488 1200225685 /nfs/dbraw/zinc/22/56/85/1200225685.db2.gz HLLXBOGYRNZIBP-CJNGLKHVSA-N 0 3 378.477 0.324 20 0 GCADHN NC(=O)c1cccc(OCCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000674357869 1200227548 /nfs/dbraw/zinc/22/75/48/1200227548.db2.gz CEEDJWLECGHFIX-QGZVFWFLSA-N 0 3 388.468 0.495 20 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/nfs/dbraw/zinc/34/22/56/1200342256.db2.gz BSBIKIBMHYQCHY-GFCCVEGCSA-N 0 3 386.374 0.950 20 0 GCADHN CCN1C(=O)[C@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CCN2C1=O ZINC000675084396 1200348053 /nfs/dbraw/zinc/34/80/53/1200348053.db2.gz VXSLVSPNQOQTRD-IAGOWNOFSA-N 0 3 385.468 0.939 20 0 GCADHN Cn1nccc1CCN1CCCC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001034325683 1200348670 /nfs/dbraw/zinc/34/86/70/1200348670.db2.gz CSKOFFNLQSROBU-OGWHTMIXSA-N 0 3 376.501 0.985 20 0 GCADHN Cc1[nH]cnc1CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001061744548 1200350164 /nfs/dbraw/zinc/35/01/64/1200350164.db2.gz IBPIPYFXSALHJH-JTOWHCCKSA-N 0 3 376.457 0.419 20 0 GCADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000675135910 1200354994 /nfs/dbraw/zinc/35/49/94/1200354994.db2.gz AEYVHDQGZLJAKR-CZUORRHYSA-N 0 3 396.513 0.259 20 0 GCADHN CC(C)(C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCCC1 ZINC001061749496 1200356673 /nfs/dbraw/zinc/35/66/73/1200356673.db2.gz HJSLDFWLFZBQPH-ZXXIGWHRSA-N 0 3 391.512 0.628 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000658260983 1200378550 /nfs/dbraw/zinc/37/85/50/1200378550.db2.gz GUZCEIAUBFMFGW-NSHDSACASA-N 0 3 386.449 0.401 20 0 GCADHN CCOC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCO1 ZINC000625744030 1200401079 /nfs/dbraw/zinc/40/10/79/1200401079.db2.gz LIXOWBZIXKXGJX-OALUTQOASA-N 0 3 389.496 0.983 20 0 GCADHN CN1CC[C@@H]2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CCCCC3)[C@@H]2C1 ZINC000670526892 1200404465 /nfs/dbraw/zinc/40/44/65/1200404465.db2.gz FGXJZHOEUCDFJT-QZTJIDSGSA-N 0 3 392.544 0.690 20 0 GCADHN CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCN1C1CCCCC1 ZINC001273141075 1200422352 /nfs/dbraw/zinc/42/23/52/1200422352.db2.gz NWJLTNLQXJANAT-ULQDDVLXSA-N 0 3 384.546 0.875 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000675709785 1200455165 /nfs/dbraw/zinc/45/51/65/1200455165.db2.gz DFAKZSROJQFFOD-ROUUACIJSA-N 0 3 381.565 0.955 20 0 GCADHN CNC(=O)Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000675836627 1200463440 /nfs/dbraw/zinc/46/34/40/1200463440.db2.gz CMBNPIDBLWAZQB-KRWDZBQOSA-N 0 3 387.484 0.745 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1N1CCNC1=O ZINC000675918465 1200467646 /nfs/dbraw/zinc/46/76/46/1200467646.db2.gz IEVPAGSRNGBOHJ-SFHVURJKSA-N 0 3 399.495 0.903 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1S(N)(=O)=O ZINC000675918586 1200467670 /nfs/dbraw/zinc/46/76/70/1200467670.db2.gz OYNKWPHBFWRLAH-HNNXBMFYSA-N 0 3 394.497 0.021 20 0 GCADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCC2(CCN([C@H]3CCNC3=O)C2)CC1 ZINC001035209848 1200469336 /nfs/dbraw/zinc/46/93/36/1200469336.db2.gz RKVWJGSJMRZZRH-LUKYLMHMSA-N 0 3 377.485 0.241 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1C ZINC000675927981 1200473325 /nfs/dbraw/zinc/47/33/25/1200473325.db2.gz PQIYBRKMXYCVEN-CQSZACIVSA-N 0 3 394.497 0.442 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000675968386 1200475399 /nfs/dbraw/zinc/47/53/99/1200475399.db2.gz JEAABGAGOUCGMP-OAHLLOKOSA-N 0 3 387.475 0.664 20 0 GCADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(CN(C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001035757741 1200543205 /nfs/dbraw/zinc/54/32/05/1200543205.db2.gz LVLRVEXDRASZIN-QKDSSNGWSA-N 0 3 386.496 0.592 20 0 GCADHN C[C@@]1(c2cccc(C(=O)NC3CCN([C@H]4CCOC4)CC3)c2)NC(=O)NC1=O ZINC000676345247 1200545697 /nfs/dbraw/zinc/54/56/97/1200545697.db2.gz NBHPHEMLOWXXSC-JXFKEZNVSA-N 0 3 386.452 0.724 20 0 GCADHN CS(=O)(=O)NCCc1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000676345437 1200546350 /nfs/dbraw/zinc/54/63/50/1200546350.db2.gz NJBMRLBZXNHDJP-GOSISDBHSA-N 0 3 395.525 0.761 20 0 GCADHN CN(CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(C)(C)C ZINC001061909294 1200548979 /nfs/dbraw/zinc/54/89/79/1200548979.db2.gz STJYSIQETUHBCL-FWCYYJLNSA-N 0 3 393.528 0.731 20 0 GCADHN CN(CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)CC(C)(C)C ZINC001061909169 1200550127 /nfs/dbraw/zinc/55/01/27/1200550127.db2.gz QUSQQRCICCCPBM-VQHPVUNQSA-N 0 3 381.517 0.875 20 0 GCADHN O=C(NC1CC1)c1ccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000676419551 1200556820 /nfs/dbraw/zinc/55/68/20/1200556820.db2.gz VECXTNIJBQAWJY-LJQANCHMSA-N 0 3 386.496 0.602 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2C[C@H](OC)C23CCC3)CC1 ZINC001118061338 1200576211 /nfs/dbraw/zinc/57/62/11/1200576211.db2.gz DQIYKPDTQNSPKO-IKGGRYGDSA-N 0 3 380.533 0.450 20 0 GCADHN CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000676619464 1200577141 /nfs/dbraw/zinc/57/71/41/1200577141.db2.gz SNZYXBGRDOLKJI-KRWDZBQOSA-N 0 3 393.509 0.813 20 0 GCADHN CC(C)N(C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001062301041 1200596433 /nfs/dbraw/zinc/59/64/33/1200596433.db2.gz ZRJCDUQVNUOSOX-MJQMVNBJSA-N 0 3 381.517 0.875 20 0 GCADHN COCCCCCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129267036 1200597460 /nfs/dbraw/zinc/59/74/60/1200597460.db2.gz VONIGJNHZXTUHC-HZMVEIRTSA-N 0 3 392.504 0.161 20 0 GCADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129272045 1200598986 /nfs/dbraw/zinc/59/89/86/1200598986.db2.gz YBZDPTQHLGYGHU-MLHJIOFPSA-N 0 3 387.488 0.583 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000591502618 1200623769 /nfs/dbraw/zinc/62/37/69/1200623769.db2.gz BSNJFHLKRBVXBM-QGZVFWFLSA-N 0 3 399.499 1.391 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000640745615 1200623921 /nfs/dbraw/zinc/62/39/21/1200623921.db2.gz CBLOBBKOGHRECE-OLZOCXBDSA-N 0 3 396.517 1.454 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)Nc3ccn(CC(=O)N(C)C)n3)C2)CC1 ZINC000610730531 1200733997 /nfs/dbraw/zinc/73/39/97/1200733997.db2.gz VAEDMHCKRCZSID-INIZCTEOSA-N 0 3 391.520 0.604 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(C4CC4)n(C)n3)C2)CC1 ZINC000576198355 1200734233 /nfs/dbraw/zinc/73/42/33/1200734233.db2.gz LKVMVBRJYIXSEY-MRXNPFEDSA-N 0 3 388.516 0.863 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000429298750 1200735619 /nfs/dbraw/zinc/73/56/19/1200735619.db2.gz FBHPMJZHZXMQMP-RRFJBIMHSA-N 0 3 398.504 0.337 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)nn1 ZINC000580055013 1200744404 /nfs/dbraw/zinc/74/44/04/1200744404.db2.gz CADBCLQDVLDJGE-SOUVJXGZSA-N 0 3 375.473 1.391 20 0 GCADHN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN([C@H]3C[C@@H]3C)C[C@H](C)C2)nn1 ZINC000580055011 1200744565 /nfs/dbraw/zinc/74/45/65/1200744565.db2.gz CADBCLQDVLDJGE-KKUMJFAQSA-N 0 3 375.473 1.391 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCCN2CCN(C)CC2)nn1-c1ccccc1 ZINC000536764521 1200796454 /nfs/dbraw/zinc/79/64/54/1200796454.db2.gz SLCVCKGGGVEDKS-UHFFFAOYSA-N 0 3 384.484 0.873 20 0 GCADHN CC(C)(C)N1C[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)CC1=O ZINC000429321855 1200797115 /nfs/dbraw/zinc/79/71/15/1200797115.db2.gz ZKZFRIQQVVMQNR-MRXNPFEDSA-N 0 3 383.537 0.075 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)nn1CC(F)(F)F ZINC000419636641 1200797647 /nfs/dbraw/zinc/79/76/47/1200797647.db2.gz FDJXKSRLODFOHL-LLVKDONJSA-N 0 3 375.395 1.540 20 0 GCADHN CC(C)N1CCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001487033407 1200806268 /nfs/dbraw/zinc/80/62/68/1200806268.db2.gz NBFSODHBGKYNTA-SUMCQTLJSA-N 0 3 391.512 0.362 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000370422728 1200820376 /nfs/dbraw/zinc/82/03/76/1200820376.db2.gz GIKWKWJPDYYMBU-DLBZAZTESA-N 0 3 383.452 0.849 20 0 GCADHN N[C@@H](C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC000509343493 1200866246 /nfs/dbraw/zinc/86/62/46/1200866246.db2.gz KCVBMROFXZKZAE-RDTXWAMCSA-N 0 3 377.441 0.181 20 0 GCADHN O=C(Nc1ccn(CCN2CCOCC2)n1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530815959 1200878716 /nfs/dbraw/zinc/87/87/16/1200878716.db2.gz JYFXEPBIJONARX-NRFANRHFSA-N 0 3 399.495 0.791 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(-c3ccnn3C)nn2)CC1 ZINC000417336659 1200900994 /nfs/dbraw/zinc/90/09/94/1200900994.db2.gz HYYFQSDLBXMMHO-HNNXBMFYSA-N 0 3 386.504 1.272 20 0 GCADHN COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)n1 ZINC000556435288 1200907953 /nfs/dbraw/zinc/90/79/53/1200907953.db2.gz CLYZYHJSGMHZKK-CABCVRRESA-N 0 3 377.489 1.362 20 0 GCADHN CC(=O)NCC(=O)N1CCCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000625938571 1200924135 /nfs/dbraw/zinc/92/41/35/1200924135.db2.gz PQDLYHXWKJWETN-UHFFFAOYSA-N 0 3 389.456 0.371 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCC(=O)N1)C2)C1CCC1 ZINC001006020474 1200925515 /nfs/dbraw/zinc/92/55/15/1200925515.db2.gz ZIIRVGVATHKNPN-VQHPVUNQSA-N 0 3 376.501 0.778 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1 ZINC000923306790 1200934631 /nfs/dbraw/zinc/93/46/31/1200934631.db2.gz PJWSTAUPNPLJCJ-CVEARBPZSA-N 0 3 381.498 0.920 20 0 GCADHN COc1ccc(S(=O)(=O)NCC(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1OC ZINC000923308756 1200944432 /nfs/dbraw/zinc/94/44/32/1200944432.db2.gz 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O=C(NCCC1(O)CCOCC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000509410241 1201036323 /nfs/dbraw/zinc/03/63/23/1201036323.db2.gz HWUFDBGLDCJJTI-FQEVSTJZSA-N 0 3 377.485 0.854 20 0 GCADHN COCCOCN1C[C@@]2(F)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(F)C1=O ZINC001273182666 1201057782 /nfs/dbraw/zinc/05/77/82/1201057782.db2.gz IXQCWYJSCDVDPI-XOKHGSTOSA-N 0 3 377.432 0.294 20 0 GCADHN CN(C(=O)c1ccc(NC(=O)C(=O)Nc2ccn(C)n2)cc1)[C@@H]1CCCN(C)C1 ZINC000583765655 1201062616 /nfs/dbraw/zinc/06/26/16/1201062616.db2.gz BBESNKXJJQHOJT-MRXNPFEDSA-N 0 3 398.467 1.164 20 0 GCADHN CCN1CCC[C@@H](CN(C)Cc2nc(N)nc(N(C)C)n2)[C@@H]1c1cnn(C)c1 ZINC000411583576 1201087297 /nfs/dbraw/zinc/08/72/97/1201087297.db2.gz OKNCBMIYZKVUIB-WMLDXEAASA-N 0 3 387.536 1.158 20 0 GCADHN COCc1ncc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c(N)n1 ZINC000498019347 1201108412 /nfs/dbraw/zinc/10/84/12/1201108412.db2.gz XLDCUUGAHAYKHC-UHFFFAOYSA-N 0 3 385.472 0.624 20 0 GCADHN CN(C)CCN(Cc1ccccc1)C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000646626619 1201132050 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ZINC001065396753 1201626122 /nfs/dbraw/zinc/62/61/22/1201626122.db2.gz SMLPHMXQFYWQBT-JTOWHCCKSA-N 0 3 376.457 0.419 20 0 GCADHN CC(C)(C(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCO1)N1CCCC1 ZINC001065653463 1201629973 /nfs/dbraw/zinc/62/99/73/1201629973.db2.gz CPGSREPYIHIAHN-TWMKSMIVSA-N 0 3 379.501 0.772 20 0 GCADHN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000734269691 1201648923 /nfs/dbraw/zinc/64/89/23/1201648923.db2.gz MORUTGLGIKDLTI-CQSZACIVSA-N 0 3 395.504 0.602 20 0 GCADHN CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001085270308 1201652235 /nfs/dbraw/zinc/65/22/35/1201652235.db2.gz WDWYUVJJHKEYBS-KLHDSHLOSA-N 0 3 378.517 0.644 20 0 GCADHN O=C(C[C@@H]1C[C@H]1C1CC1)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001085279822 1201655076 /nfs/dbraw/zinc/65/50/76/1201655076.db2.gz GHKHHNANUADRIN-MWDXBVQZSA-N 0 3 376.501 0.398 20 0 GCADHN CCn1nncc1CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001085282704 1201656370 /nfs/dbraw/zinc/65/63/70/1201656370.db2.gz ICHVLLXIOKXFKJ-PFPDTZPXSA-N 0 3 377.489 0.867 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735012783 1201671938 /nfs/dbraw/zinc/67/19/38/1201671938.db2.gz IDSBCIUUWHBRNV-UHFFFAOYSA-N 0 3 380.395 0.566 20 0 GCADHN COc1cccc([C@H](CNC(=O)c2cn(C)c(=O)n(C)c2=O)N2CCCC2)c1 ZINC000735030303 1201672855 /nfs/dbraw/zinc/67/28/55/1201672855.db2.gz MFUSGBMIYAQEOF-KRWDZBQOSA-N 0 3 386.452 0.660 20 0 GCADHN NC(=O)[C@@H]1CCCN(CCCNC(=O)NCC[S@@](=O)Cc2ccccc2)C1 ZINC000735099784 1201676047 /nfs/dbraw/zinc/67/60/47/1201676047.db2.gz LKQOXEOMUCAPHQ-XGCWNURASA-N 0 3 394.541 0.822 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000735586548 1201692829 /nfs/dbraw/zinc/69/28/29/1201692829.db2.gz CZWDSHVWMNBDMG-QWRGUYRKSA-N 0 3 388.346 0.724 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000735586546 1201693223 /nfs/dbraw/zinc/69/32/23/1201693223.db2.gz CZWDSHVWMNBDMG-MNOVXSKESA-N 0 3 388.346 0.724 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000735586550 1201693445 /nfs/dbraw/zinc/69/34/45/1201693445.db2.gz CZWDSHVWMNBDMG-WDEREUQCSA-N 0 3 388.346 0.724 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccnc1N1CCCCC1 ZINC000735589015 1201693530 /nfs/dbraw/zinc/69/35/30/1201693530.db2.gz XDDAYAZNSBVRSX-CVEARBPZSA-N 0 3 387.484 0.990 20 0 GCADHN CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735590054 1201693733 /nfs/dbraw/zinc/69/37/33/1201693733.db2.gz OFGHZFSMEWUFPW-IRXDYDNUSA-N 0 3 388.468 0.235 20 0 GCADHN CCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735589648 1201694355 /nfs/dbraw/zinc/69/43/55/1201694355.db2.gz JBXBROHFZDNWDT-CABCVRRESA-N 0 3 395.481 0.398 20 0 GCADHN COCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735592149 1201694799 /nfs/dbraw/zinc/69/47/99/1201694799.db2.gz CEOXXIKAHDWAPW-HOTGVXAUSA-N 0 3 390.440 0.189 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000735592155 1201695354 /nfs/dbraw/zinc/69/53/54/1201695354.db2.gz CEXCBQBRNCAPHU-JKSUJKDBSA-N 0 3 387.440 0.134 20 0 GCADHN Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000735592854 1201695726 /nfs/dbraw/zinc/69/57/26/1201695726.db2.gz GQBYKSDAZRSDCF-KGLIPLIRSA-N 0 3 395.481 0.316 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1C ZINC000735753523 1201701253 /nfs/dbraw/zinc/70/12/53/1201701253.db2.gz NCIYSJVUCMHREJ-UONOGXRCSA-N 0 3 382.486 0.936 20 0 GCADHN COC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000735887664 1201704003 /nfs/dbraw/zinc/70/40/03/1201704003.db2.gz VWMHGWVYFKJUPD-CQSZACIVSA-N 0 3 391.472 0.803 20 0 GCADHN O=C(CN1CCN(CC2CCOCC2)CC1)NC1CCC2(CC1)OCCO2 ZINC000736317950 1201713160 /nfs/dbraw/zinc/71/31/60/1201713160.db2.gz BFEXWOLPPAAIBF-UHFFFAOYSA-N 0 3 381.517 0.833 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(F)c(C(=O)OC)c2)CC1 ZINC000737091226 1201720379 /nfs/dbraw/zinc/72/03/79/1201720379.db2.gz HWVBIEQJCCTVRO-ZDUSSCGKSA-N 0 3 394.447 0.693 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)N1CCCCC1 ZINC000737139408 1201722424 /nfs/dbraw/zinc/72/24/24/1201722424.db2.gz OZTCXHSGOJAOBB-CQSZACIVSA-N 0 3 396.513 0.665 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)ccc1F ZINC000737237571 1201725211 /nfs/dbraw/zinc/72/52/11/1201725211.db2.gz QYXZLKYIRFXHEA-UHFFFAOYSA-N 0 3 394.447 0.695 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](C)C(=O)OC)cc2)CC1 ZINC000737278299 1201725982 /nfs/dbraw/zinc/72/59/82/1201725982.db2.gz YOFOLTVDDJEVEP-AWEZNQCLSA-N 0 3 376.457 0.692 20 0 GCADHN CN1CCC2(CC1)NC(=O)N(CN1CCCN(CC(F)(F)F)CC1)C2=O ZINC000738067928 1201733761 /nfs/dbraw/zinc/73/37/61/1201733761.db2.gz VCCCLLJOPBPCPE-UHFFFAOYSA-N 0 3 377.411 0.530 20 0 GCADHN CC1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)CN3CCCC3)CC1)C2=O ZINC000738161076 1201734679 /nfs/dbraw/zinc/73/46/79/1201734679.db2.gz NBNINVMKOIIVIG-UHFFFAOYSA-N 0 3 391.516 0.685 20 0 GCADHN O=C(CN1CCCN(C[C@H]2CCCO2)CC1)NC1CCC2(CC1)OCCO2 ZINC000738318098 1201736281 /nfs/dbraw/zinc/73/62/81/1201736281.db2.gz ONDUVNWPDCYEEB-GOSISDBHSA-N 0 3 381.517 0.975 20 0 GCADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)CN1CCOCC1 ZINC000738882789 1201738148 /nfs/dbraw/zinc/73/81/48/1201738148.db2.gz VMLGBTXFJXFRJM-QGZVFWFLSA-N 0 3 386.537 0.164 20 0 GCADHN CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000739083910 1201739604 /nfs/dbraw/zinc/73/96/04/1201739604.db2.gz ATCCPKIXMKMGGT-IRXDYDNUSA-N 0 3 389.452 0.710 20 0 GCADHN CS[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000804262096 1201782745 /nfs/dbraw/zinc/78/27/45/1201782745.db2.gz YITSQITUUOGJDB-RBSFLKMASA-N 0 3 384.546 0.446 20 0 GCADHN CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CN1CC[C@H](N2CC=CC2)C1 ZINC000742163068 1201791205 /nfs/dbraw/zinc/79/12/05/1201791205.db2.gz OPPJEVHJMXTBKX-AWEZNQCLSA-N 0 3 392.481 0.748 20 0 GCADHN CN1CCN(CCCCNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC000743205635 1201814021 /nfs/dbraw/zinc/81/40/21/1201814021.db2.gz VEGJKMMFSWPXBV-UHFFFAOYSA-N 0 3 386.522 0.077 20 0 GCADHN CCOC(=O)N1CCN(C(=O)CN(CCC(=O)OC)C2CCOCC2)CC1 ZINC000743872570 1201824962 /nfs/dbraw/zinc/82/49/62/1201824962.db2.gz URPQWSMACHGYTA-UHFFFAOYSA-N 0 3 385.461 0.331 20 0 GCADHN COC(=O)CCN(CC(=O)NC1CCC2(CC1)OCCO2)C1CCOCC1 ZINC000743872554 1201825037 /nfs/dbraw/zinc/82/50/37/1201825037.db2.gz UCSIAJKQVQCELT-UHFFFAOYSA-N 0 3 384.473 0.832 20 0 GCADHN COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)C1 ZINC000743919367 1201828150 /nfs/dbraw/zinc/82/81/50/1201828150.db2.gz HMYAXGQHXYSTED-MRXNPFEDSA-N 0 3 389.500 0.214 20 0 GCADHN CCNC(=O)COc1cccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)c1 ZINC000743978189 1201831435 /nfs/dbraw/zinc/83/14/35/1201831435.db2.gz FLZBHQYFADGVPX-CQSZACIVSA-N 0 3 376.457 0.741 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000743980247 1201831595 /nfs/dbraw/zinc/83/15/95/1201831595.db2.gz YHRXKEZJQFWRFA-CYBMUJFWSA-N 0 3 387.440 0.624 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1OCC(N)=O ZINC000743979573 1201831870 /nfs/dbraw/zinc/83/18/70/1201831870.db2.gz HLYCEQVUSTZQQW-LBPRGKRZSA-N 0 3 378.429 0.098 20 0 GCADHN CCc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1S(N)(=O)=O ZINC000743979497 1201832105 /nfs/dbraw/zinc/83/21/05/1201832105.db2.gz GKYPRNQJFGUDJR-GFCCVEGCSA-N 0 3 382.486 0.435 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000743980893 1201832617 /nfs/dbraw/zinc/83/26/17/1201832617.db2.gz NRHXSTIBPJLNLK-CYBMUJFWSA-N 0 3 394.497 0.666 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000744350382 1201840612 /nfs/dbraw/zinc/84/06/12/1201840612.db2.gz SMAGDKLDEKSIGX-OAHLLOKOSA-N 0 3 381.498 0.922 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@](C)(O)COC)cc2)CC1 ZINC000745323122 1201870284 /nfs/dbraw/zinc/87/02/84/1201870284.db2.gz XUXLEFNHKCFWGK-LJQANCHMSA-N 0 3 379.457 0.708 20 0 GCADHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000745800678 1201890919 /nfs/dbraw/zinc/89/09/19/1201890919.db2.gz CQVFGARWVKXCIL-MDZRGWNJSA-N 0 3 399.495 0.987 20 0 GCADHN COCC[S@@](=O)Cc1cccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000746044678 1201897273 /nfs/dbraw/zinc/89/72/73/1201897273.db2.gz BFPVCHKTHFIXQO-KUNJGFBQSA-N 0 3 395.525 0.978 20 0 GCADHN CC1CCN(CC(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)CC1 ZINC000189421274 1201909518 /nfs/dbraw/zinc/90/95/18/1201909518.db2.gz UQZVQFSWQXOBAI-UHFFFAOYSA-N 0 3 380.514 0.715 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2 ZINC001006330449 1201909803 /nfs/dbraw/zinc/90/98/03/1201909803.db2.gz IHYMNMWNQUUSLV-LHKMKVQPSA-N 0 3 384.480 0.731 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000766343379 1201911493 /nfs/dbraw/zinc/91/14/93/1201911493.db2.gz FDVMKKAWOJXIMF-MRXNPFEDSA-N 0 3 394.497 0.437 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000046948652 1201911872 /nfs/dbraw/zinc/91/18/72/1201911872.db2.gz VYRDMNQINLFLBY-INIZCTEOSA-N 0 3 394.541 0.982 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000046948390 1201911937 /nfs/dbraw/zinc/91/19/37/1201911937.db2.gz JMUHRDPJLWYNCH-INIZCTEOSA-N 0 3 394.541 0.982 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000103121230 1201917226 /nfs/dbraw/zinc/91/72/26/1201917226.db2.gz RPGOCIBEXHKVLZ-GGPKGHCWSA-N 0 3 394.560 0.887 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000746406923 1201918613 /nfs/dbraw/zinc/91/86/13/1201918613.db2.gz OPTBLQLNYIRSND-GHMZBOCLSA-N 0 3 375.351 0.363 20 0 GCADHN CCOC(=O)CNC(=O)CN[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168898536 1201927785 /nfs/dbraw/zinc/92/77/85/1201927785.db2.gz AIUOFVBCBARMFE-HNNXBMFYSA-N 0 3 377.441 0.455 20 0 GCADHN CN(C)c1ncc2c(n1)[C@H]1CN([C@@H]3C[C@H]4CC[C@@H](C3)N4C)C[C@H]1S(=O)(=O)C2 ZINC001169128520 1201932819 /nfs/dbraw/zinc/93/28/19/1201932819.db2.gz FALIONXIGWKYGV-BQJWPVKWSA-N 0 3 391.541 0.864 20 0 GCADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC[C@@](C)(O)[C@@H](F)C1 ZINC001169190701 1201934930 /nfs/dbraw/zinc/93/49/30/1201934930.db2.gz JPEVBPJDERBYAH-BIENJYKASA-N 0 3 395.479 0.787 20 0 GCADHN CO[C@@H]1CN([C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1F ZINC001169190365 1201935150 /nfs/dbraw/zinc/93/51/50/1201935150.db2.gz FVNATPDTWJBEFB-MELADBBJSA-N 0 3 381.452 0.661 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCOC2(CC2)C1 ZINC001169213972 1201938691 /nfs/dbraw/zinc/93/86/91/1201938691.db2.gz VYIQYVMUZIXTPD-AWEZNQCLSA-N 0 3 375.473 0.857 20 0 GCADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCc2c(cnn2C)C1 ZINC001169214248 1201938848 /nfs/dbraw/zinc/93/88/48/1201938848.db2.gz ZDRAGJJXSAMVMO-AWEZNQCLSA-N 0 3 399.499 0.784 20 0 GCADHN CN1CCN(C(=O)COCCOCC(=O)N2CCN(C)CC2(C)C)C(C)(C)C1 ZINC000766621737 1201939034 /nfs/dbraw/zinc/93/90/34/1201939034.db2.gz AGZVWNOJEBHREI-UHFFFAOYSA-N 0 3 398.548 0.125 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](NCC(=O)NCC(=O)OCc2ccccc2)CO1 ZINC001169317619 1201942134 /nfs/dbraw/zinc/94/21/34/1201942134.db2.gz CABMAYVTVWOTCT-CVEARBPZSA-N 0 3 378.425 0.546 20 0 GCADHN CCOC(=O)[C@H]1CC[C@H](N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001169370663 1201944023 /nfs/dbraw/zinc/94/40/23/1201944023.db2.gz KVZMVYOGBJKJIM-QSPRXWTASA-N 0 3 391.468 0.288 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@]3(C[C@H](OCC(=O)NC)CO3)C2)CO1 ZINC001169383999 1201944511 /nfs/dbraw/zinc/94/45/11/1201944511.db2.gz CYRFAMUSXIRKRN-IUVQAAGXSA-N 0 3 384.473 0.483 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)CO1 ZINC001169386705 1201944640 /nfs/dbraw/zinc/94/46/40/1201944640.db2.gz MHLRLZXEHVYLPO-DFGXFYAUSA-N 0 3 376.457 0.725 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](N2C[C@@H]3[C@H](C2)OCCN3c2ccc(C)nn2)CO1 ZINC001169389935 1201944937 /nfs/dbraw/zinc/94/49/37/1201944937.db2.gz UNGNVVBPUOPWNQ-NCOADZHNSA-N 0 3 376.457 0.785 20 0 GCADHN CCOC(=O)[C@H]1CC[C@H](N2C[C@@H]3[C@H](C2)OCCN3c2ccc(C)nn2)CO1 ZINC001169389928 1201944989 /nfs/dbraw/zinc/94/49/89/1201944989.db2.gz UNGNVVBPUOPWNQ-HZMVEIRTSA-N 0 3 376.457 0.785 20 0 GCADHN CCOC(=O)[C@H]1CC[C@@H](N2C[C@H](NC(=O)c3ccno3)[C@@H]3OCCC[C@@H]32)CO1 ZINC001169396773 1201945737 /nfs/dbraw/zinc/94/57/37/1201945737.db2.gz MIMRAURBHFWKIY-PYOKUCOHSA-N 0 3 393.440 0.747 20 0 GCADHN COC(=O)CC1(NCCOc2ccc3c(c2)OCO3)CCS(=O)(=O)CC1 ZINC001169481042 1201948915 /nfs/dbraw/zinc/94/89/15/1201948915.db2.gz AUJCOSDHHIFUTN-UHFFFAOYSA-N 0 3 385.438 0.894 20 0 GCADHN COc1ccc(CNc2cccc(N3CCN(S(C)(=O)=O)CC3)n2)nn1 ZINC001169466953 1201949195 /nfs/dbraw/zinc/94/91/95/1201949195.db2.gz QRWNNLVMEXUARJ-UHFFFAOYSA-N 0 3 378.458 0.574 20 0 GCADHN CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C[C@@H](O)C(C)(C)O)C2)C(=O)C1 ZINC001169474692 1201949703 /nfs/dbraw/zinc/94/97/03/1201949703.db2.gz WKEBDZNLZNYJIT-LSDHHAIUSA-N 0 3 385.505 0.662 20 0 GCADHN CC(=O)N1CC[C@H](N2CCC3(CC2)OCC(=O)N(c2cnn(C)c2)[C@@H]3C)C1 ZINC001169541724 1201950563 /nfs/dbraw/zinc/95/05/63/1201950563.db2.gz ZKNOBMTVOMSVEA-ZBFHGGJFSA-N 0 3 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IHQNEWMWFSFZKW-YYIAUSFCSA-N 0 3 377.489 0.738 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CNS(=O)(=O)CCCOC)cc2)CC1 ZINC000770134424 1202086970 /nfs/dbraw/zinc/08/69/70/1202086970.db2.gz NOLBCIGURIDABI-UHFFFAOYSA-N 0 3 398.529 0.723 20 0 GCADHN COC(=O)CC(C)(C)NCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000770194907 1202087438 /nfs/dbraw/zinc/08/74/38/1202087438.db2.gz MYDGHGOEWHYAOW-UHFFFAOYSA-N 0 3 391.468 0.707 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000770174098 1202089181 /nfs/dbraw/zinc/08/91/81/1202089181.db2.gz RSOCVSSPQWGGJU-HNNXBMFYSA-N 0 3 398.529 0.820 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F)[C@H]1[C@@H]2COC[C@@H]21 ZINC001109620704 1202091146 /nfs/dbraw/zinc/09/11/46/1202091146.db2.gz LSALWVUTNAFGGI-VMPUKSAESA-N 0 3 378.391 0.540 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCN(CC(F)F)CC1)C2 ZINC001109645008 1202096612 /nfs/dbraw/zinc/09/66/12/1202096612.db2.gz MADDIFIPGTVUMZ-WCVJEAGWSA-N 0 3 375.460 0.692 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCN1CCCCC1 ZINC000770404685 1202097240 /nfs/dbraw/zinc/09/72/40/1202097240.db2.gz DQVBFCLOLQKAAD-CYBMUJFWSA-N 0 3 383.470 0.481 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccc(F)cc1)[C@H]1CNC(=O)N1 ZINC001109652708 1202098739 /nfs/dbraw/zinc/09/87/39/1202098739.db2.gz FTSBCOKRHXQMOT-XBVQOTNRSA-N 0 3 376.432 0.998 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](O)COc1cccc(F)c1 ZINC000770590470 1202104158 /nfs/dbraw/zinc/10/41/58/1202104158.db2.gz XTLZSMVRNFHCGA-DOTOQJQBSA-N 0 3 382.480 0.891 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnc2n1CCOC2)N(C)C ZINC001109686920 1202104182 /nfs/dbraw/zinc/10/41/82/1202104182.db2.gz PBLKMNYEGDSKMR-LDDOYCOJSA-N 0 3 376.505 0.616 20 0 GCADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)Nc1nncs1)N(C)C ZINC001109686726 1202104281 /nfs/dbraw/zinc/10/42/81/1202104281.db2.gz FMOULMOZEQZVLI-UKTARXLSSA-N 0 3 380.518 0.784 20 0 GCADHN CS(=O)(=O)CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH]cnc31)C2 ZINC001109704878 1202106015 /nfs/dbraw/zinc/10/60/15/1202106015.db2.gz HPSYLBPLEANKJM-VRKREXBASA-N 0 3 380.514 0.986 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(=O)n1C)C2 ZINC001109701966 1202107351 /nfs/dbraw/zinc/10/73/51/1202107351.db2.gz NXSUDFZVYURNJI-NCOADZHNSA-N 0 3 377.485 0.754 20 0 GCADHN COCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)N3CCCC3)O1)C2 ZINC001109715875 1202107992 /nfs/dbraw/zinc/10/79/92/1202107992.db2.gz HOLQORODQQERBV-RSJGLCBASA-N 0 3 379.501 0.914 20 0 GCADHN COC(=O)Cn1cc([C@H](C)OC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)nn1 ZINC000770700383 1202109348 /nfs/dbraw/zinc/10/93/48/1202109348.db2.gz JYIWDCUGEUNLIX-XKSSXDPKSA-N 0 3 378.307 0.512 20 0 GCADHN CN(CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCO ZINC001109726484 1202110097 /nfs/dbraw/zinc/11/00/97/1202110097.db2.gz YHIZSJWPHHWCEM-AABGKKOBSA-N 0 3 375.513 0.891 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(N)=O)[nH]1)C2 ZINC001109722922 1202112761 /nfs/dbraw/zinc/11/27/61/1202112761.db2.gz LIURCKZPQRYCLK-OQUILHJVSA-N 0 3 378.473 0.482 20 0 GCADHN COC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000770800451 1202114000 /nfs/dbraw/zinc/11/40/00/1202114000.db2.gz JLXIAXBHSYIAHT-AWEZNQCLSA-N 0 3 391.472 0.946 20 0 GCADHN CO[C@H]1Cc2ccc(NC(=O)C(=O)N[C@@H](C)CCN3CCN(C)CC3)cc2C1 ZINC000770804583 1202114313 /nfs/dbraw/zinc/11/43/13/1202114313.db2.gz XCMPHIVFRKZOBQ-KXBFYZLASA-N 0 3 388.512 0.881 20 0 GCADHN O=C(CCc1cnn[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@@H]1CCS(=O)(=O)C1 ZINC001109740399 1202115873 /nfs/dbraw/zinc/11/58/73/1202115873.db2.gz QLAWYDPFSJYYMW-OJLVUWQFSA-N 0 3 381.502 0.284 20 0 GCADHN CCNS(=O)(=O)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000746243078 1202121796 /nfs/dbraw/zinc/12/17/96/1202121796.db2.gz DMGQJYGSIRZTIQ-UHFFFAOYSA-N 0 3 382.530 0.563 20 0 GCADHN CC[C@@H](CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CS(=O)(=O)N(CC)CC)C2)OC ZINC001109781797 1202122094 /nfs/dbraw/zinc/12/20/94/1202122094.db2.gz BLOPQZVCOAQYHP-UGUYLWEFSA-N 0 3 375.535 0.805 20 0 GCADHN CCNC(=O)CN[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170020781 1202123036 /nfs/dbraw/zinc/12/30/36/1202123036.db2.gz RJSWZQOBWIJUED-STQMWFEESA-N 0 3 386.518 0.623 20 0 GCADHN O=C(COC1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cn1cccn1 ZINC001109788188 1202123303 /nfs/dbraw/zinc/12/33/03/1202123303.db2.gz BHNWCWIRMOHKND-FZCLSBEQSA-N 0 3 378.473 0.161 20 0 GCADHN O=C(COC1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001109788694 1202123794 /nfs/dbraw/zinc/12/37/94/1202123794.db2.gz LSBKAFGLJRPKPE-NJAFHUGGSA-N 0 3 379.501 0.916 20 0 GCADHN CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001109798643 1202124366 /nfs/dbraw/zinc/12/43/66/1202124366.db2.gz LZFFHNCWNWHBCU-FXUDXRNXSA-N 0 3 379.505 0.426 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cn1 ZINC000771113559 1202125858 /nfs/dbraw/zinc/12/58/58/1202125858.db2.gz FCQHLYWCVKNPNS-INIZCTEOSA-N 0 3 396.513 0.705 20 0 GCADHN CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C2 ZINC001109816353 1202129800 /nfs/dbraw/zinc/12/98/00/1202129800.db2.gz RDEBCYLUWUGCIC-UGUYLWEFSA-N 0 3 375.535 0.707 20 0 GCADHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCN(C3CC3)C2)C1=O ZINC000771309708 1202134634 /nfs/dbraw/zinc/13/46/34/1202134634.db2.gz HBWFOBGVJXYBNV-RNODOKPDSA-N 0 3 386.452 0.815 20 0 GCADHN Cc1nc(C)n(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)n1 ZINC001109848111 1202135024 /nfs/dbraw/zinc/13/50/24/1202135024.db2.gz XEAQMFGFYFGAJH-SQNIBIBYSA-N 0 3 376.505 0.339 20 0 GCADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001109849529 1202135436 /nfs/dbraw/zinc/13/54/36/1202135436.db2.gz VTQFFSRBDLVYIF-OWSLCNJRSA-N 0 3 376.501 0.979 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COc1ccc(F)cc1)c1nnc[nH]1 ZINC001109861308 1202138466 /nfs/dbraw/zinc/13/84/66/1202138466.db2.gz HBGSPMJSQFKARP-VRKREXBASA-N 0 3 375.404 0.719 20 0 GCADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COc1ccc(F)cc1)c1ncn[nH]1 ZINC001109861308 1202138467 /nfs/dbraw/zinc/13/84/67/1202138467.db2.gz HBGSPMJSQFKARP-VRKREXBASA-N 0 3 375.404 0.719 20 0 GCADHN CCOCCCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(CC)CC)C2 ZINC001109868169 1202139878 /nfs/dbraw/zinc/13/98/78/1202139878.db2.gz FDQJXFYLCGDIMF-BDXSIMOUSA-N 0 3 382.549 0.981 20 0 GCADHN O=C(Cc1ncc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001109882788 1202141677 /nfs/dbraw/zinc/14/16/77/1202141677.db2.gz PXBSBWOQKVXFKL-NDBYEHHHSA-N 0 3 376.379 0.614 20 0 GCADHN CC(C)OCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc3n(c1=O)CCCC3)C2 ZINC001109936466 1202154142 /nfs/dbraw/zinc/15/41/42/1202154142.db2.gz WGLZCAQOLXOAML-PMPSAXMXSA-N 0 3 377.489 0.528 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]c1=O)CCOC3)C2 ZINC001109962345 1202160623 /nfs/dbraw/zinc/16/06/23/1202160623.db2.gz WJESGZMIVKFIMB-OQUILHJVSA-N 0 3 377.441 0.202 20 0 GCADHN CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O ZINC001109957443 1202162298 /nfs/dbraw/zinc/16/22/98/1202162298.db2.gz JUCHNOGLWPWFIZ-UGUYLWEFSA-N 0 3 379.505 0.557 20 0 GCADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N[C@@H](CO)C1CC1 ZINC000771804257 1202163142 /nfs/dbraw/zinc/16/31/42/1202163142.db2.gz DELSXCXUCQEXMZ-ABAIWWIYSA-N 0 3 385.486 0.633 20 0 GCADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@H](CO)C1CC1 ZINC000771804268 1202163174 /nfs/dbraw/zinc/16/31/74/1202163174.db2.gz DELSXCXUCQEXMZ-XHDPSFHLSA-N 0 3 385.486 0.633 20 0 GCADHN C[C@H](N[C@@H](CO)C1CC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000771809494 1202163604 /nfs/dbraw/zinc/16/36/04/1202163604.db2.gz SJSSAKMYHAULBL-GUYCJALGSA-N 0 3 397.497 0.395 20 0 GCADHN C[C@H](N[C@H](CO)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000771811914 1202163618 /nfs/dbraw/zinc/16/36/18/1202163618.db2.gz FOJMGVYTHCUOQN-SUMWQHHRSA-N 0 3 397.497 0.395 20 0 GCADHN CNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001109977751 1202165343 /nfs/dbraw/zinc/16/53/43/1202165343.db2.gz XXKDZRICPRAJMZ-NDBYEHHHSA-N 0 3 376.461 0.253 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001110021474 1202175929 /nfs/dbraw/zinc/17/59/29/1202175929.db2.gz DUVRYEOERDAWKT-WCVJEAGWSA-N 0 3 381.521 0.672 20 0 GCADHN O=C(CN1CCC[C@@H](N2CCOCC2)CC1)NC1CCC2(CC1)OCCO2 ZINC000787675871 1205396755 /nfs/dbraw/zinc/39/67/55/1205396755.db2.gz LXAHXRJPXNUYHU-GOSISDBHSA-N 0 3 381.517 0.975 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)C1 ZINC000787676829 1205397126 /nfs/dbraw/zinc/39/71/26/1205397126.db2.gz RNFFXSJOUNLYFN-KBAYOESNSA-N 0 3 391.516 0.683 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)C1 ZINC000787676831 1205397279 /nfs/dbraw/zinc/39/72/79/1205397279.db2.gz RNFFXSJOUNLYFN-NXHRZFHOSA-N 0 3 391.516 0.683 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000787676520 1205397526 /nfs/dbraw/zinc/39/75/26/1205397526.db2.gz OJSLRCHLHUSQDY-LSDHHAIUSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000787670929 1205398445 /nfs/dbraw/zinc/39/84/45/1205398445.db2.gz OJSLRCHLHUSQDY-CABCVRRESA-N 0 3 382.505 0.960 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000787664748 1205398456 /nfs/dbraw/zinc/39/84/56/1205398456.db2.gz UDVXBKZYRJQMAX-CYBMUJFWSA-N 0 3 392.422 0.456 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000787665112 1205398459 /nfs/dbraw/zinc/39/84/59/1205398459.db2.gz VGQHDHUPPRTBEQ-QZTJIDSGSA-N 0 3 391.516 0.683 20 0 GCADHN CCc1cc(CNC(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)n[nH]1 ZINC000787736138 1205401582 /nfs/dbraw/zinc/40/15/82/1205401582.db2.gz IVFPXNIMQPOHDJ-LJQANCHMSA-N 0 3 398.511 0.693 20 0 GCADHN COC(=O)[C@H](O)C1CCN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787732715 1205401632 /nfs/dbraw/zinc/40/16/32/1205401632.db2.gz ZHJYMUSNGIUCFS-SPYBWZPUSA-N 0 3 386.489 0.993 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCc2cnc(N3CCOCC3)s2)CC1=O ZINC000787766846 1205402126 /nfs/dbraw/zinc/40/21/26/1205402126.db2.gz XBRAZXOXYCSUSH-ZDUSSCGKSA-N 0 3 381.502 0.006 20 0 GCADHN Cc1cnc(Cl)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000787884215 1205405570 /nfs/dbraw/zinc/40/55/70/1205405570.db2.gz RQJGSNMXZWBPQU-UHFFFAOYSA-N 0 3 393.875 0.749 20 0 GCADHN CN1CCN(CCCCNC(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000787907767 1205407172 /nfs/dbraw/zinc/40/71/72/1205407172.db2.gz DPDLMSRUPKKKAL-UHFFFAOYSA-N 0 3 390.528 0.674 20 0 GCADHN Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCCCCN2CCN(C)CC2)no1 ZINC000787914192 1205407895 /nfs/dbraw/zinc/40/78/95/1205407895.db2.gz XXONHHRKYIYCGH-KRWDZBQOSA-N 0 3 377.489 0.790 20 0 GCADHN COCCOc1ncccc1CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000787981103 1205412152 /nfs/dbraw/zinc/41/21/52/1205412152.db2.gz UNKJNGKNMJKPKR-OAHLLOKOSA-N 0 3 378.473 0.714 20 0 GCADHN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000788241154 1205416938 /nfs/dbraw/zinc/41/69/38/1205416938.db2.gz CKERRUKCQXTOHR-CRAIPNDOSA-N 0 3 377.514 0.832 20 0 GCADHN Cc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000788401041 1205422758 /nfs/dbraw/zinc/42/27/58/1205422758.db2.gz JFAWHIFSCWWRJA-NUJGCVRESA-N 0 3 375.469 0.858 20 0 GCADHN O=C(NCc1ccc(Cn2cccn2)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000788465419 1205423585 /nfs/dbraw/zinc/42/35/85/1205423585.db2.gz XIHWKAARLAKOAM-OALUTQOASA-N 0 3 397.479 0.527 20 0 GCADHN CN1C(=O)NC2(CCN(CCN3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O ZINC000788486346 1205423964 /nfs/dbraw/zinc/42/39/64/1205423964.db2.gz UJPMRRWXHVMFJT-UHFFFAOYSA-N 0 3 395.504 0.555 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788557072 1205425134 /nfs/dbraw/zinc/42/51/34/1205425134.db2.gz KDFMXMJHQCWNPZ-NSHDSACASA-N 0 3 396.435 0.121 20 0 GCADHN O=C(NC[C@@H]1CCN(c2ccccc2)C1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000788812823 1205429982 /nfs/dbraw/zinc/42/99/82/1205429982.db2.gz FWFVSEAAFIGGAU-WDSOQIARSA-N 0 3 386.496 0.609 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000746801023 1205438721 /nfs/dbraw/zinc/43/87/21/1205438721.db2.gz DXJXBMWEOOMYLD-CYBMUJFWSA-N 0 3 387.440 0.277 20 0 GCADHN COc1ccc(CCS(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000790035268 1205454344 /nfs/dbraw/zinc/45/43/44/1205454344.db2.gz SHGKTIBXYAUQMZ-GOSISDBHSA-N 0 3 395.525 0.806 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cccc(OCC(N)=O)c1 ZINC000790043341 1205454637 /nfs/dbraw/zinc/45/46/37/1205454637.db2.gz ZHJNEWYVQSQQLL-UHFFFAOYSA-N 0 3 396.469 0.693 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000790191269 1205458356 /nfs/dbraw/zinc/45/83/56/1205458356.db2.gz MRETUCYDABVATB-PVPMGCCUSA-N 0 3 388.578 0.040 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1)CN1CCN(C)CC1 ZINC000790194932 1205458657 /nfs/dbraw/zinc/45/86/57/1205458657.db2.gz KNLLQBFVAIJOMU-IAGOWNOFSA-N 0 3 396.532 0.178 20 0 GCADHN CCN(CCc1ccccn1)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000790198335 1205458987 /nfs/dbraw/zinc/45/89/87/1205458987.db2.gz ZUGOVKAENMXLBP-KRWDZBQOSA-N 0 3 375.517 0.472 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000790208455 1205459052 /nfs/dbraw/zinc/45/90/52/1205459052.db2.gz ISFDIJDVNNESOM-IRXDYDNUSA-N 0 3 396.532 0.178 20 0 GCADHN COC(=O)CCN(CN1C[C@@]2(CN3CCC2CC3)OC1=O)C1CCOCC1 ZINC000790363446 1205462685 /nfs/dbraw/zinc/46/26/85/1205462685.db2.gz AVMZZNQWXPHSAH-LJQANCHMSA-N 0 3 381.473 0.905 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CN2C[C@]3(CN4CCC3CC4)OC2=O)C1 ZINC000790371031 1205463694 /nfs/dbraw/zinc/46/36/94/1205463694.db2.gz OCOZAMTVGVCROK-QINHECLXSA-N 0 3 394.516 0.724 20 0 GCADHN C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1nnnn1C1CC1 ZINC000790720269 1205470042 /nfs/dbraw/zinc/47/00/42/1205470042.db2.gz YGGSLUSNLMAOBQ-TZMCWYRMSA-N 0 3 376.465 0.017 20 0 GCADHN C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nnnn1C1CC1 ZINC000790720268 1205470084 /nfs/dbraw/zinc/47/00/84/1205470084.db2.gz YGGSLUSNLMAOBQ-OCCSQVGLSA-N 0 3 376.465 0.017 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000791011630 1205473005 /nfs/dbraw/zinc/47/30/05/1205473005.db2.gz XTUNWFNNWZXGRY-UHFFFAOYSA-N 0 3 385.468 0.558 20 0 GCADHN C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC000792263439 1205485904 /nfs/dbraw/zinc/48/59/04/1205485904.db2.gz YVZPZZRVXVBKPN-HUUCEWRRSA-N 0 3 397.520 0.848 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCn4cnnc4[C@H]3C)cc2)CC1 ZINC000792355996 1205486655 /nfs/dbraw/zinc/48/66/55/1205486655.db2.gz XXWBKULKZZFHBT-OAHLLOKOSA-N 0 3 397.483 0.962 20 0 GCADHN CC[C@@]1(NCC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)CCOC1 ZINC000792418137 1205487306 /nfs/dbraw/zinc/48/73/06/1205487306.db2.gz IWBUPHOWKZAZNR-RTBURBONSA-N 0 3 390.440 0.652 20 0 GCADHN CC[C@]1(NCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CCOC1 ZINC000792429531 1205487355 /nfs/dbraw/zinc/48/73/55/1205487355.db2.gz ZUXQFMOJGGUPND-MOPGFXCFSA-N 0 3 390.440 0.652 20 0 GCADHN CC[C@H]1C[C@@H](N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CCO1 ZINC001170226017 1205489924 /nfs/dbraw/zinc/48/99/24/1205489924.db2.gz GGHBWLKFVUUGOC-QAETUUGQSA-N 0 3 396.532 0.541 20 0 GCADHN CC[C@H]1C[C@H](N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CCO1 ZINC001170226018 1205490053 /nfs/dbraw/zinc/49/00/53/1205490053.db2.gz GGHBWLKFVUUGOC-QZWWFDLISA-N 0 3 396.532 0.541 20 0 GCADHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1N1C[C@H](O)C[C@@H]1CO ZINC001170284229 1205490574 /nfs/dbraw/zinc/49/05/74/1205490574.db2.gz XCEXVRGLEROKDN-FVQBIDKESA-N 0 3 381.473 0.119 20 0 GCADHN CC[C@H](C)N1CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001170316001 1205490602 /nfs/dbraw/zinc/49/06/02/1205490602.db2.gz SPUXWFCAXPCLFC-HOTGVXAUSA-N 0 3 396.557 0.797 20 0 GCADHN COc1c(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc(Cl)cc1C(N)=O ZINC000792996137 1205495518 /nfs/dbraw/zinc/49/55/18/1205495518.db2.gz KIDILBXVXHQFHB-JTQLQIEISA-N 0 3 382.848 0.987 20 0 GCADHN C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC1=O ZINC000793469844 1205498834 /nfs/dbraw/zinc/49/88/34/1205498834.db2.gz SMKPBJNICNXRED-STQMWFEESA-N 0 3 392.422 0.314 20 0 GCADHN O=C(NCc1ccn(-c2ccccc2)n1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793655563 1205502795 /nfs/dbraw/zinc/50/27/95/1205502795.db2.gz JLKIPOPSMDWRNA-QZTJIDSGSA-N 0 3 383.452 0.468 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)N1CCCCC1 ZINC000793708550 1205502863 /nfs/dbraw/zinc/50/28/63/1205502863.db2.gz IJJSWOMUXYYIOA-VQIMIIECSA-N 0 3 398.573 0.301 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)NC[C@@H](C)N3CCCCC3)CC2)n[nH]1 ZINC000793710592 1205503206 /nfs/dbraw/zinc/50/32/06/1205503206.db2.gz SVMKLLORXFDLGW-OAHLLOKOSA-N 0 3 376.505 0.794 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)NC[C@H](C)N3CCCCC3)CC2)n[nH]1 ZINC000793710591 1205503263 /nfs/dbraw/zinc/50/32/63/1205503263.db2.gz SVMKLLORXFDLGW-HNNXBMFYSA-N 0 3 376.505 0.794 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CCN1CCOC ZINC000793720786 1205503319 /nfs/dbraw/zinc/50/33/19/1205503319.db2.gz HRJLZRHOYMQAAE-QZTJIDSGSA-N 0 3 382.549 0.936 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000793715619 1205503365 /nfs/dbraw/zinc/50/33/65/1205503365.db2.gz IDPUZRTZBGMFDL-GJZGRUSLSA-N 0 3 383.489 0.546 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1)N1CCCCC1 ZINC000793695451 1205504068 /nfs/dbraw/zinc/50/40/68/1205504068.db2.gz DDSSYEJDLFWAGE-AWEZNQCLSA-N 0 3 376.457 0.158 20 0 GCADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793703589 1205504510 /nfs/dbraw/zinc/50/45/10/1205504510.db2.gz YFAMINSBGXEXIB-DLBZAZTESA-N 0 3 395.548 0.036 20 0 GCADHN COCCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793804201 1205506493 /nfs/dbraw/zinc/50/64/93/1205506493.db2.gz WJUKOTPRHXMEBK-IRXDYDNUSA-N 0 3 391.468 0.307 20 0 GCADHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793802059 1205506559 /nfs/dbraw/zinc/50/65/59/1205506559.db2.gz SZDMPGHBOOKTSA-VHDGCEQUSA-N 0 3 397.422 0.828 20 0 GCADHN CN(CCCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000793844926 1205507053 /nfs/dbraw/zinc/50/70/53/1205507053.db2.gz OGMNZUATULLRHS-RBUKOAKNSA-N 0 3 388.512 0.999 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000793814941 1205507321 /nfs/dbraw/zinc/50/73/21/1205507321.db2.gz CBYGEZHLVSZKDG-UHFFFAOYSA-N 0 3 386.493 0.197 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@H]2COC3(CCCCCC3)O2)CC1 ZINC000793817659 1205507510 /nfs/dbraw/zinc/50/75/10/1205507510.db2.gz RHRXUUBGHWVFLM-KRWDZBQOSA-N 0 3 397.516 0.796 20 0 GCADHN CN1CC[C@](O)(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000793820695 1205507586 /nfs/dbraw/zinc/50/75/86/1205507586.db2.gz WIZSMUGLSOSRDA-LZJOCLMNSA-N 0 3 398.463 0.761 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccco1 ZINC000793850352 1205507932 /nfs/dbraw/zinc/50/79/32/1205507932.db2.gz XEDNRTALYJOPIY-YESZJQIVSA-N 0 3 392.500 0.758 20 0 GCADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000793902559 1205508761 /nfs/dbraw/zinc/50/87/61/1205508761.db2.gz RSFNGWAARUQWTH-OAGGEKHMSA-N 0 3 383.489 0.261 20 0 GCADHN CC(=O)c1ccc(N2CCN(C(=O)C(=O)NCCN(C)C3CC3)CC2)c(F)c1 ZINC000793936526 1205510249 /nfs/dbraw/zinc/51/02/49/1205510249.db2.gz LASUPVVFMGKFQL-UHFFFAOYSA-N 0 3 390.459 0.887 20 0 GCADHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CCO1 ZINC000793940103 1205510752 /nfs/dbraw/zinc/51/07/52/1205510752.db2.gz YTJUQZQINABAMU-HIFRSBDPSA-N 0 3 398.504 0.337 20 0 GCADHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCCN(CC(=O)N2CCCC2)CC1 ZINC000794279585 1205513081 /nfs/dbraw/zinc/51/30/81/1205513081.db2.gz VMEWFBRXYUAGJM-QGZVFWFLSA-N 0 3 398.548 0.892 20 0 GCADHN CC(C)COCCN[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@@H]1n1ccnn1 ZINC001129850235 1205520813 /nfs/dbraw/zinc/52/08/13/1205520813.db2.gz UDXLBJKJPOAKRT-VQHPVUNQSA-N 0 3 392.504 0.207 20 0 GCADHN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129850314 1205520841 /nfs/dbraw/zinc/52/08/41/1205520841.db2.gz XIGIYFQOLDSUAV-HZMVEIRTSA-N 0 3 379.505 0.701 20 0 GCADHN CC(C)N1CCCN(C(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000804755294 1205523779 /nfs/dbraw/zinc/52/37/79/1205523779.db2.gz MWIITFGBBZNMEC-UHFFFAOYSA-N 0 3 382.505 0.912 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N(CCO)Cc1cccnc1Cl ZINC000804729543 1205523918 /nfs/dbraw/zinc/52/39/18/1205523918.db2.gz MVWAFYLEINBWLY-OAHLLOKOSA-N 0 3 380.876 0.656 20 0 GCADHN Cn1ccnc1[C@@H](O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000804728985 1205524030 /nfs/dbraw/zinc/52/40/30/1205524030.db2.gz ATOFJGWUXHMKFV-SJORKVTESA-N 0 3 389.500 0.293 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC000804732697 1205524153 /nfs/dbraw/zinc/52/41/53/1205524153.db2.gz XSGDUEYAIXANSR-FVQBIDKESA-N 0 3 394.516 0.959 20 0 GCADHN CC(C)COC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000804731966 1205524215 /nfs/dbraw/zinc/52/42/15/1205524215.db2.gz ZUHPPBFFFFDBFD-KRWDZBQOSA-N 0 3 394.516 0.914 20 0 GCADHN Cn1ccnc1[C@@H](O)C1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000804728983 1205524223 /nfs/dbraw/zinc/52/42/23/1205524223.db2.gz ATOFJGWUXHMKFV-IRXDYDNUSA-N 0 3 389.500 0.293 20 0 GCADHN CC(C)(C)[S@@](=O)CCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 ZINC000804735558 1205524425 /nfs/dbraw/zinc/52/44/25/1205524425.db2.gz DROKBTVQQHDPPI-SANMLTNESA-N 0 3 387.546 0.411 20 0 GCADHN COCCOCCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1 ZINC001129939592 1205525143 /nfs/dbraw/zinc/52/51/43/1205525143.db2.gz LQRSDOGZPGJLQN-IECFSIQFSA-N 0 3 393.488 0.098 20 0 GCADHN COC[C@@]1(CNC(=O)[C@H]2CN3CCN2CCC3)CCCN1C(=O)OC(C)(C)C ZINC000804789324 1205526112 /nfs/dbraw/zinc/52/61/12/1205526112.db2.gz GRDGEMPRQJAHNW-UZLBHIALSA-N 0 3 396.532 0.909 20 0 GCADHN CCN(C)c1ccccc1CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000804826816 1205526405 /nfs/dbraw/zinc/52/64/05/1205526405.db2.gz GWOHMLJGBXJQHT-UHFFFAOYSA-N 0 3 389.544 0.901 20 0 GCADHN CC(C)=CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@@H]1n1ccnn1 ZINC001130007224 1205529124 /nfs/dbraw/zinc/52/91/24/1205529124.db2.gz FHFNAWSXPNGEMW-LTIDMASMSA-N 0 3 390.488 0.222 20 0 GCADHN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747230707 1205532545 /nfs/dbraw/zinc/53/25/45/1205532545.db2.gz XBLPVDOIOYVBHZ-VXGBXAGGSA-N 0 3 392.847 0.917 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N(CC2CCOCC2)OC)CC1 ZINC000805157113 1205532721 /nfs/dbraw/zinc/53/27/21/1205532721.db2.gz LZZHQNNQQOROLZ-UHFFFAOYSA-N 0 3 385.505 0.809 20 0 GCADHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n(C)c1 ZINC000747232356 1205533075 /nfs/dbraw/zinc/53/30/75/1205533075.db2.gz WCTCLHZEQMFBLJ-CABCVRRESA-N 0 3 398.529 0.649 20 0 GCADHN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000805196142 1205533280 /nfs/dbraw/zinc/53/32/80/1205533280.db2.gz OJAYGUBMZRCAOP-IERDGZPVSA-N 0 3 386.496 0.846 20 0 GCADHN Cc1cccc(C)c1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000805674637 1205542434 /nfs/dbraw/zinc/54/24/34/1205542434.db2.gz DGDGJSUUJFUNOQ-GOSISDBHSA-N 0 3 386.496 0.685 20 0 GCADHN Cc1cccc(C)c1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000805680555 1205542552 /nfs/dbraw/zinc/54/25/52/1205542552.db2.gz MLQVYXPLDDLTFN-UHFFFAOYSA-N 0 3 386.496 0.686 20 0 GCADHN Cc1nonc1CNC(=O)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000806206768 1205551338 /nfs/dbraw/zinc/55/13/38/1205551338.db2.gz LLFZDFVTZNMZKV-UHFFFAOYSA-N 0 3 381.502 0.862 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000806330440 1205554668 /nfs/dbraw/zinc/55/46/68/1205554668.db2.gz MJRXPKJWLOZIPV-QWHCGFSZSA-N 0 3 392.422 0.599 20 0 GCADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2COC(C)(C)OC2)C1 ZINC000806653982 1205560597 /nfs/dbraw/zinc/56/05/97/1205560597.db2.gz JLHLUEWZMVCAJI-KRWDZBQOSA-N 0 3 375.469 0.987 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)NC2COC(C)(C)OC2)CC1 ZINC000806655588 1205560637 /nfs/dbraw/zinc/56/06/37/1205560637.db2.gz DPUCOHWRUWMZMV-AWEZNQCLSA-N 0 3 390.484 0.991 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000806694069 1205562591 /nfs/dbraw/zinc/56/25/91/1205562591.db2.gz VZSPRBSIPIIXPZ-KRWDZBQOSA-N 0 3 396.532 0.274 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806715291 1205565110 /nfs/dbraw/zinc/56/51/10/1205565110.db2.gz FLMWUKRBOPAKMV-OLZOCXBDSA-N 0 3 390.406 0.480 20 0 GCADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000806759495 1205566192 /nfs/dbraw/zinc/56/61/92/1205566192.db2.gz MGEPRXOLPBTPOS-OAHLLOKOSA-N 0 3 399.536 0.112 20 0 GCADHN CSCCCCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000806888368 1205568860 /nfs/dbraw/zinc/56/88/60/1205568860.db2.gz YXXDDHZWROTIBQ-UHFFFAOYSA-N 0 3 398.573 0.793 20 0 GCADHN CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000807130707 1205576547 /nfs/dbraw/zinc/57/65/47/1205576547.db2.gz KZABXSRRISBRIR-RTBURBONSA-N 0 3 391.512 0.930 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)NC[C@H]1COC2(CCCCCC2)O1 ZINC000807457227 1205581816 /nfs/dbraw/zinc/58/18/16/1205581816.db2.gz WLDCTVOQZKPKOA-INIZCTEOSA-N 0 3 385.505 0.653 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000807457228 1205581950 /nfs/dbraw/zinc/58/19/50/1205581950.db2.gz WLDCTVOQZKPKOA-MRXNPFEDSA-N 0 3 385.505 0.653 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000807547739 1205584158 /nfs/dbraw/zinc/58/41/58/1205584158.db2.gz LWAZNEABXYKIOE-OAHLLOKOSA-N 0 3 387.484 0.491 20 0 GCADHN CS[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000807756931 1205589466 /nfs/dbraw/zinc/58/94/66/1205589466.db2.gz CXROZGGIKJHIQS-KFWWJZLASA-N 0 3 382.530 0.152 20 0 GCADHN CS[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000807765869 1205589617 /nfs/dbraw/zinc/58/96/17/1205589617.db2.gz SPAAVNPFIIZJHK-GJZGRUSLSA-N 0 3 382.530 0.153 20 0 GCADHN CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)NC[C@H]2CCCN2CC)CC1 ZINC000807828937 1205592078 /nfs/dbraw/zinc/59/20/78/1205592078.db2.gz SKGQHHXUJUJGDA-GOEBONIOSA-N 0 3 382.505 0.960 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCc2cnc(C)s2)CC1 ZINC000807939197 1205595001 /nfs/dbraw/zinc/59/50/01/1205595001.db2.gz LUDOZNJIGKTNLQ-UHFFFAOYSA-N 0 3 395.529 0.123 20 0 GCADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCCc1ccnn1C ZINC000808020874 1205596989 /nfs/dbraw/zinc/59/69/89/1205596989.db2.gz QQDKORWPAWYIBA-UHFFFAOYSA-N 0 3 393.438 0.947 20 0 GCADHN NC(=O)[C@@H]1CC(C(=O)N[C@H](CO)CN2CCCCC2)=NN1c1ccc(F)cc1 ZINC000808081458 1205598522 /nfs/dbraw/zinc/59/85/22/1205598522.db2.gz OSSXRNVRSJHVMN-YOEHRIQHSA-N 0 3 391.447 0.209 20 0 GCADHN CON(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000808156935 1205600695 /nfs/dbraw/zinc/60/06/95/1205600695.db2.gz DFATVGAQQOBRGB-LSDHHAIUSA-N 0 3 383.470 0.150 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000808156891 1205600720 /nfs/dbraw/zinc/60/07/20/1205600720.db2.gz QOEHMCFXFDJUQB-KBPBESRZSA-N 0 3 388.436 0.893 20 0 GCADHN O=C([C@H](O)[C@H](O)c1nc2ccccc2s1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000808156833 1205600762 /nfs/dbraw/zinc/60/07/62/1205600762.db2.gz PMWXNCNPMWFSHN-GUYJKWIASA-N 0 3 377.466 0.358 20 0 GCADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CO)CN1CCCC1 ZINC000808220351 1205602796 /nfs/dbraw/zinc/60/27/96/1205602796.db2.gz DBMVKSLHUUTQPA-IRXDYDNUSA-N 0 3 376.436 0.477 20 0 GCADHN CCOC(=O)N1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000808270488 1205604759 /nfs/dbraw/zinc/60/47/59/1205604759.db2.gz XPMUHJRXOBSCMX-HOTGVXAUSA-N 0 3 398.504 0.150 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1=O ZINC000808270682 1205604801 /nfs/dbraw/zinc/60/48/01/1205604801.db2.gz YKTREUUQHUVXTK-MQDFFIGUSA-N 0 3 389.452 0.724 20 0 GCADHN Cc1nonc1CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000808900114 1205613481 /nfs/dbraw/zinc/61/34/81/1205613481.db2.gz KYFMPTDFTMFJBR-INIZCTEOSA-N 0 3 387.440 0.402 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808923070 1205614395 /nfs/dbraw/zinc/61/43/95/1205614395.db2.gz DFDRSDRALHJATD-HNNXBMFYSA-N 0 3 375.425 0.865 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC000808934214 1205614667 /nfs/dbraw/zinc/61/46/67/1205614667.db2.gz WOLQXGCDMHKOCG-GJZGRUSLSA-N 0 3 387.484 0.412 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H](C(F)(F)F)C1 ZINC001131516573 1205615389 /nfs/dbraw/zinc/61/53/89/1205615389.db2.gz HYUPKXNFQLHJPG-ULSDXFBPSA-N 0 3 389.418 0.917 20 0 GCADHN COCc1cccc(CNC(=O)CNCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001131516350 1205615413 /nfs/dbraw/zinc/61/54/13/1205615413.db2.gz BPBAZJATGPNWHG-GJNTUIEKSA-N 0 3 387.480 0.578 20 0 GCADHN C[C@@H](NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)NC(=O)NC1CCCCC1 ZINC001131516570 1205615438 /nfs/dbraw/zinc/61/54/38/1205615438.db2.gz HRUUSWLRRPEMLX-KFTDAMQQSA-N 0 3 392.500 0.663 20 0 GCADHN NC(=O)NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001131531913 1205616483 /nfs/dbraw/zinc/61/64/83/1205616483.db2.gz PGKSNXMQEFXLCE-GGXPGOJBSA-N 0 3 392.500 0.603 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCCc1c(F)cccc1F ZINC001131524425 1205617220 /nfs/dbraw/zinc/61/72/20/1205617220.db2.gz HHVKKQPBTHTUIH-GEWQEOBGSA-N 0 3 393.434 0.753 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)N1CCCCC1 ZINC000809008819 1205617425 /nfs/dbraw/zinc/61/74/25/1205617425.db2.gz HGYUYSIXVZVPKT-SQWLQELKSA-N 0 3 390.488 0.021 20 0 GCADHN CCCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001131564780 1205618359 /nfs/dbraw/zinc/61/83/59/1205618359.db2.gz VSADYANCUAUUDU-JZGRTCEGSA-N 0 3 381.517 0.923 20 0 GCADHN O=C(CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)NC1CC1 ZINC001131571000 1205618794 /nfs/dbraw/zinc/61/87/94/1205618794.db2.gz WWLNJWURVCGUPL-KLBVCGFUSA-N 0 3 391.512 0.818 20 0 GCADHN C[C@@H](Nc1ccccc1-c1cn(S(=O)(=O)N(C)C)cn1)[C@H]1CNCCO1 ZINC001170571709 1205619367 /nfs/dbraw/zinc/61/93/67/1205619367.db2.gz NVJLJENGUZXXPU-CXAGYDPISA-N 0 3 379.486 0.993 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C1CC1)C1CCCC1 ZINC001131645351 1205621858 /nfs/dbraw/zinc/62/18/58/1205621858.db2.gz XHNOKVIHKLQHTC-UCLAIMLFSA-N 0 3 379.501 0.677 20 0 GCADHN C[C@@H](NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NCC1CCCCC1 ZINC001131647719 1205622623 /nfs/dbraw/zinc/62/26/23/1205622623.db2.gz CCBHCRBFZKZLHP-LAVFITLUSA-N 0 3 381.517 0.829 20 0 GCADHN C[C@H](NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(=O)NCc1cccs1 ZINC001131648438 1205622731 /nfs/dbraw/zinc/62/27/31/1205622731.db2.gz XAGKGSCTBYPFGB-DARAHFNDSA-N 0 3 381.498 0.510 20 0 GCADHN C[C@@H](NCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)N1CCC(C(N)=O)CC1 ZINC001131663318 1205623025 /nfs/dbraw/zinc/62/30/25/1205623025.db2.gz YCMBIPUXDBFRFL-BSWAZPDLSA-N 0 3 378.517 0.631 20 0 GCADHN C[C@@H](O)c1ncc(CNCCC(=O)N2CCN(c3ncccn3)CC2)s1 ZINC000809612812 1205627534 /nfs/dbraw/zinc/62/75/34/1205627534.db2.gz BEBZDWAKUDMTQZ-CYBMUJFWSA-N 0 3 376.486 0.815 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1)C1=CCN(C)CC1 ZINC000809706527 1205628866 /nfs/dbraw/zinc/62/88/66/1205628866.db2.gz BPBDUOYQVROXNH-QGTPRVQTSA-N 0 3 389.500 0.601 20 0 GCADHN C[C@@H](NC(=O)C(=O)N(CCO)Cc1cccnc1Cl)C1=CCN(C)CC1 ZINC000809706784 1205629182 /nfs/dbraw/zinc/62/91/82/1205629182.db2.gz KISCCEFXQLOVHE-CYBMUJFWSA-N 0 3 380.876 0.823 20 0 GCADHN COC(=O)c1cn([C@@H]2CCCN(C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)nn1 ZINC000809977563 1205632331 /nfs/dbraw/zinc/63/23/31/1205632331.db2.gz JWZKLFFMIVILGE-ACJLOTCBSA-N 0 3 397.476 0.977 20 0 GCADHN C[C@@H](NCCS(=O)(=O)N(C)C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000810261440 1205635245 /nfs/dbraw/zinc/63/52/45/1205635245.db2.gz DCSIUEDHJLKYGI-NVXWUHKLSA-N 0 3 399.513 0.894 20 0 GCADHN COC(=O)c1c(F)ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1F ZINC000810366373 1205635928 /nfs/dbraw/zinc/63/59/28/1205635928.db2.gz JSBXEXARXAFVLN-WDEREUQCSA-N 0 3 397.378 0.669 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F ZINC000810368639 1205635999 /nfs/dbraw/zinc/63/59/99/1205635999.db2.gz CKNRRVITCJZIOB-NSHDSACASA-N 0 3 398.410 0.968 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](NS(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001170611433 1205640598 /nfs/dbraw/zinc/64/05/98/1205640598.db2.gz TUVCWLRRPXAGQB-RYUDHWBXSA-N 0 3 379.479 0.196 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@@H](NS(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001170611432 1205640664 /nfs/dbraw/zinc/64/06/64/1205640664.db2.gz TUVCWLRRPXAGQB-NEPJUHHUSA-N 0 3 379.479 0.196 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000811743381 1205655057 /nfs/dbraw/zinc/65/50/57/1205655057.db2.gz QLHCVQBHYQXEBI-WMZOPIPTSA-N 0 3 380.533 0.846 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)C3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000811749608 1205655139 /nfs/dbraw/zinc/65/51/39/1205655139.db2.gz KCAUKMRSSONISA-PKOBYXMFSA-N 0 3 390.528 0.744 20 0 GCADHN CC1(C)C(=O)N(CN2CCN(C(=O)CN3CCCC3)CC2)[C@H]1[C@@H]1CCCO1 ZINC000811748513 1205655316 /nfs/dbraw/zinc/65/53/16/1205655316.db2.gz AHBPLFGMOXNAFP-WMZOPIPTSA-N 0 3 378.517 0.600 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCCN(CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000828132603 1205659882 /nfs/dbraw/zinc/65/98/82/1205659882.db2.gz DQWOPLCUQGZGSI-CQSZACIVSA-N 0 3 395.481 0.866 20 0 GCADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOC)C[C@@H]1C ZINC000812156951 1205661648 /nfs/dbraw/zinc/66/16/48/1205661648.db2.gz WAYBCBUZRKBRLI-MELADBBJSA-N 0 3 388.538 0.454 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(O)CCSC3)cc2)CC1 ZINC000747798525 1205666607 /nfs/dbraw/zinc/66/66/07/1205666607.db2.gz XITBRZBQWULLIJ-IBGZPJMESA-N 0 3 392.525 0.751 20 0 GCADHN COCc1ccccc1CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134102380 1205687264 /nfs/dbraw/zinc/68/72/64/1205687264.db2.gz JJHYOVZSSYTQJN-KURKYZTESA-N 0 3 375.469 0.723 20 0 GCADHN COc1cccc(CCNC(=O)CNCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001134102294 1205687277 /nfs/dbraw/zinc/68/72/77/1205687277.db2.gz FWILAPPVFMRIIM-KURKYZTESA-N 0 3 375.469 0.627 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000815290959 1205702324 /nfs/dbraw/zinc/70/23/24/1205702324.db2.gz ZBVHROSQPMBFQS-HKUYNNGSSA-N 0 3 383.489 0.633 20 0 GCADHN COc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc(OC)c1C ZINC000815506635 1205705234 /nfs/dbraw/zinc/70/52/34/1205705234.db2.gz FDXHOORZRSLRHF-GJZGRUSLSA-N 0 3 377.441 0.930 20 0 GCADHN CNC(=O)Oc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000815506464 1205705416 /nfs/dbraw/zinc/70/54/16/1205705416.db2.gz YOTGIZBLDOCAAP-CQSZACIVSA-N 0 3 391.472 0.343 20 0 GCADHN Cc1nc(NC(=O)C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)nn1C ZINC000815608629 1205707383 /nfs/dbraw/zinc/70/73/83/1205707383.db2.gz INCFQWVJRCNGDW-UHFFFAOYSA-N 0 3 386.456 0.830 20 0 GCADHN CN(C)C(=O)CO[C@@H]1CN([C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC[C@H]12 ZINC001171707477 1205709305 /nfs/dbraw/zinc/70/93/05/1205709305.db2.gz WWOVUWYGVYUUQI-LXTVHRRPSA-N 0 3 397.472 0.326 20 0 GCADHN CCOC(=O)c1cc(CNC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)on1 ZINC001171925600 1205710529 /nfs/dbraw/zinc/71/05/29/1205710529.db2.gz LABYMSBNSTUWMK-CABCVRRESA-N 0 3 375.429 0.937 20 0 GCADHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172016267 1205711699 /nfs/dbraw/zinc/71/16/99/1205711699.db2.gz SRRCPYVMPVKYBK-CQSZACIVSA-N 0 3 381.502 0.291 20 0 GCADHN CCN1CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)CC1=O ZINC001172044774 1205712328 /nfs/dbraw/zinc/71/23/28/1205712328.db2.gz WVCPCWCKMKEOTI-KKUMJFAQSA-N 0 3 386.562 0.725 20 0 GCADHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n(-c2ccc(C)nn2)n1 ZINC000773342604 1205713269 /nfs/dbraw/zinc/71/32/69/1205713269.db2.gz VYYDTPNEWJQWMF-HUUCEWRRSA-N 0 3 399.455 0.197 20 0 GCADHN CC(C)C(=O)N1CCN([C@@H]2CCN3C(=O)CC[C@@H]3C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001172175998 1205714055 /nfs/dbraw/zinc/71/40/55/1205714055.db2.gz FHXBDPPPEYYHEA-LZJOCLMNSA-N 0 3 390.528 0.979 20 0 GCADHN CN1CCN(C[C@H]2Cn3ccnc3CN([C@H]3CCN4C(=O)CC[C@@H]4C3)C2)CC1 ZINC001172179853 1205714441 /nfs/dbraw/zinc/71/44/41/1205714441.db2.gz VOAIOXBHZVPGKB-GBESFXJTSA-N 0 3 386.544 0.716 20 0 GCADHN CN1CCN(C[C@H]2Cn3ccnc3CN([C@H]3CCN4C(=O)CC[C@H]4C3)C2)CC1 ZINC001172179852 1205714583 /nfs/dbraw/zinc/71/45/83/1205714583.db2.gz VOAIOXBHZVPGKB-FHWLQOOXSA-N 0 3 386.544 0.716 20 0 GCADHN COCCCN1CCC(N(Cc2noc3c2CNCC3)S(C)(=O)=O)CC1 ZINC001172251464 1205715197 /nfs/dbraw/zinc/71/51/97/1205715197.db2.gz QPFLHGFYLZWCAF-UHFFFAOYSA-N 0 3 386.518 0.583 20 0 GCADHN CC[C@H](C)OCC[C@H](C)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001172337439 1205715487 /nfs/dbraw/zinc/71/54/87/1205715487.db2.gz KDIWNYDAUKTOLN-LAQRGFTBSA-N 0 3 379.501 0.743 20 0 GCADHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN([C@@H]1COC(C)(C)C1)C2 ZINC001172283570 1205715493 /nfs/dbraw/zinc/71/54/93/1205715493.db2.gz DXYLZQSURWWHOJ-HNAYVOBHSA-N 0 3 375.473 0.627 20 0 GCADHN CC1(C)C[C@H](N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CO1 ZINC001172284312 1205715589 /nfs/dbraw/zinc/71/55/89/1205715589.db2.gz ILJAAPFXCBBJLY-ZJIFWQFVSA-N 0 3 386.514 0.148 20 0 GCADHN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC[C@@H]2CNC(=O)CO2)CN1C(=O)OC(C)(C)C ZINC001172696651 1205716665 /nfs/dbraw/zinc/71/66/65/1205716665.db2.gz SCISPAZQKXLZAQ-MCIONIFRSA-N 0 3 399.488 0.811 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H](C)CCC(=O)OC(C)C ZINC001172750102 1205717342 /nfs/dbraw/zinc/71/73/42/1205717342.db2.gz DYADYLLULZJYBB-XUXIUFHCSA-N 0 3 387.477 0.267 20 0 GCADHN COC(=O)CNC(=O)[C@@H]1CCCN1C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172893751 1205717919 /nfs/dbraw/zinc/71/79/19/1205717919.db2.gz JCDGEEITPVYWDX-HNNXBMFYSA-N 0 3 383.489 0.546 20 0 GCADHN COC(=O)CNC(=O)CN[C@H]1CCN(Cc2ccc(OC)cc2OC)C(=O)C1 ZINC001173035478 1205718357 /nfs/dbraw/zinc/71/83/57/1205718357.db2.gz KSRJKMVTXRUELF-AWEZNQCLSA-N 0 3 393.440 0.074 20 0 GCADHN COc1ccc(CN2CC[C@H](N(C)S(=O)(=O)CCN)CC2=O)c(OC)c1 ZINC001173023420 1205718469 /nfs/dbraw/zinc/71/84/69/1205718469.db2.gz DGGURHXAGPLSTQ-AWEZNQCLSA-N 0 3 385.486 0.415 20 0 GCADHN COc1ccc(CN2CC[C@H](NCC(=O)N3CCOCC3)CC2=O)c(OC)c1 ZINC001173022929 1205718476 /nfs/dbraw/zinc/71/84/76/1205718476.db2.gz AYDZOSCNORPKSE-INIZCTEOSA-N 0 3 391.468 0.643 20 0 GCADHN COc1cccc2c1C[C@H](N1C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C1)CO2 ZINC001173166063 1205718684 /nfs/dbraw/zinc/71/86/84/1205718684.db2.gz KKDKHIBCCHBCSX-DOTOQJQBSA-N 0 3 387.480 0.867 20 0 GCADHN CNC(=O)CN1CCO[C@H]2CN([C@H]3CC[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]21 ZINC001173070452 1205718713 /nfs/dbraw/zinc/71/87/13/1205718713.db2.gz WEOFZEBGFRLLNV-NXOAAHMSSA-N 0 3 396.532 0.905 20 0 GCADHN CCc1ccc(C[C@H](C)N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001173240909 1205719191 /nfs/dbraw/zinc/71/91/91/1205719191.db2.gz KPEAIFOSTKVXSM-FMAJMWNWSA-N 0 3 389.452 0.351 20 0 GCADHN CCN1CC[C@H](N[C@@H](CC(N)=O)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)C1 ZINC001173354211 1205719700 /nfs/dbraw/zinc/71/97/00/1205719700.db2.gz LVADLJHXSRYWSS-HOCLYGCPSA-N 0 3 386.452 0.968 20 0 GCADHN COC(=O)[C@H]1CN(C2CCN(CC(=O)OCc3ccccc3)CC2)CCN1C ZINC001173474919 1205720884 /nfs/dbraw/zinc/72/08/84/1205720884.db2.gz VFWLRYNHFJTBIP-LJQANCHMSA-N 0 3 389.496 0.983 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1Cc2cc(F)c(F)cc2C1 ZINC001173479493 1205720918 /nfs/dbraw/zinc/72/09/18/1205720918.db2.gz IKGSZBAYEYTYNC-DCAQKATOSA-N 0 3 397.422 0.593 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2CC[C@H](O)[C@@H](CO)C2)CCN1C(=O)c1ccccc1 ZINC001173496944 1205721525 /nfs/dbraw/zinc/72/15/25/1205721525.db2.gz LSJXBGZSMRALIR-BDXSIMOUSA-N 0 3 376.453 0.508 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N2CC[C@H](O)[C@H](CO)C2)CCN1C(=O)c1ccccc1 ZINC001173496947 1205721574 /nfs/dbraw/zinc/72/15/74/1205721574.db2.gz LSJXBGZSMRALIR-MHORFTMASA-N 0 3 376.453 0.508 20 0 GCADHN COC(=O)[C@@H]1C[C@H](NCCS(=O)(=O)N(C)C)CCN1C(=O)c1ccccc1 ZINC001173502115 1205721847 /nfs/dbraw/zinc/72/18/47/1205721847.db2.gz NDCJNXNPNFFSTJ-CVEARBPZSA-N 0 3 397.497 0.314 20 0 GCADHN COCCN1CCC2(CCN([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC2)C1=O ZINC001173580017 1205724901 /nfs/dbraw/zinc/72/49/01/1205724901.db2.gz UTEYXUNMIFUREA-PHZGNYQRSA-N 0 3 396.484 0.688 20 0 GCADHN Cc1cc(Nc2ncnc3c2c(F)cn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccn1 ZINC001174654826 1205731476 /nfs/dbraw/zinc/73/14/76/1205731476.db2.gz NSKJKOCONZIQSL-LSCFUAHRSA-N 0 3 375.360 0.051 20 0 GCADHN NC1(C(=O)NCc2ccccc2)CCN(C(=O)CCNC(=O)c2ccc[nH]2)CC1 ZINC001175564888 1205739260 /nfs/dbraw/zinc/73/92/60/1205739260.db2.gz DGHWQWPCJWNRBK-UHFFFAOYSA-N 0 3 397.479 0.771 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cscn1)C2 ZINC001110189496 1205740985 /nfs/dbraw/zinc/74/09/85/1205740985.db2.gz BWPCYPSXTUNWDM-IKGGRYGDSA-N 0 3 380.514 0.950 20 0 GCADHN CS(=O)(=O)NC[C@@H]1CCN(C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC001175955191 1205743079 /nfs/dbraw/zinc/74/30/79/1205743079.db2.gz IRLIVVMDLLPVRF-ZFWWWQNUSA-N 0 3 397.497 0.182 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccnc1)C2 ZINC001110193205 1205744711 /nfs/dbraw/zinc/74/47/11/1205744711.db2.gz UKJGOKXXOPOBPO-OWSLCNJRSA-N 0 3 380.489 0.409 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccnn21 ZINC001176717000 1205752862 /nfs/dbraw/zinc/75/28/62/1205752862.db2.gz NXZQJLYSTJNRST-HZPDHXFCSA-N 0 3 393.488 0.964 20 0 GCADHN CN(CCNC(=O)CCN1CCN(c2ccccc2)CC1)CCS(C)(=O)=O ZINC001176795954 1205753681 /nfs/dbraw/zinc/75/36/81/1205753681.db2.gz AECJZKUMEJEFGW-UHFFFAOYSA-N 0 3 396.557 0.291 20 0 GCADHN O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001176828979 1205755742 /nfs/dbraw/zinc/75/57/42/1205755742.db2.gz IEQXZQHFPOHKJC-LJQANCHMSA-N 0 3 382.424 0.801 20 0 GCADHN O=C(Cc1c[nH]cn1)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001176828820 1205755816 /nfs/dbraw/zinc/75/58/16/1205755816.db2.gz HDHAFILCHSWJNB-CYBMUJFWSA-N 0 3 380.412 0.027 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H]1CCOC12CCOCC2 ZINC001176832784 1205756160 /nfs/dbraw/zinc/75/61/60/1205756160.db2.gz ILQITZDIIOPQTE-HNNXBMFYSA-N 0 3 399.469 0.209 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@]2(CCOC2=O)C1 ZINC001177002882 1205759992 /nfs/dbraw/zinc/75/99/92/1205759992.db2.gz OIUXJIHOQBZLAF-ACJLOTCBSA-N 0 3 395.481 0.020 20 0 GCADHN Cc1nnc(CC(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[n-]1 ZINC001177436280 1205770467 /nfs/dbraw/zinc/77/04/67/1205770467.db2.gz VSNLQBHPCKQNFF-IKGGRYGDSA-N 0 3 384.488 0.649 20 0 GCADHN Cc1nnc(CC(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[n-]1 ZINC001177436280 1205770468 /nfs/dbraw/zinc/77/04/68/1205770468.db2.gz VSNLQBHPCKQNFF-IKGGRYGDSA-N 0 3 384.488 0.649 20 0 GCADHN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cn(C)nn1)C2 ZINC001110208666 1205771446 /nfs/dbraw/zinc/77/14/46/1205771446.db2.gz JJWNBUOLAPUIQI-BDXSIMOUSA-N 0 3 379.505 0.503 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cn(C)nn1)C2 ZINC001110208667 1205771516 /nfs/dbraw/zinc/77/15/16/1205771516.db2.gz JJWNBUOLAPUIQI-OWSLCNJRSA-N 0 3 379.505 0.503 20 0 GCADHN CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC001177684997 1205773894 /nfs/dbraw/zinc/77/38/94/1205773894.db2.gz CPYFLRJQZJYOJF-NVXWUHKLSA-N 0 3 376.457 0.554 20 0 GCADHN CN(C)CCSc1nc(CC(=O)NC(C)(C)CNS(C)(=O)=O)cs1 ZINC001178416421 1205787086 /nfs/dbraw/zinc/78/70/86/1205787086.db2.gz GSLXGPYLHFNKFX-UHFFFAOYSA-N 0 3 394.588 0.783 20 0 GCADHN CN1CCC[C@@H]2CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C[C@@H]21 ZINC001178502920 1205788996 /nfs/dbraw/zinc/78/89/96/1205788996.db2.gz XTDAAPFDTMRVND-CABCVRRESA-N 0 3 380.489 0.618 20 0 GCADHN N[C@@H]1NCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)[C@@H]2NCN[C@H]21 ZINC001178592955 1205789685 /nfs/dbraw/zinc/78/96/85/1205789685.db2.gz ANSATRMJIKDMSK-TYPHKJRUSA-N 0 3 392.507 0.227 20 0 GCADHN CN1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC001178708862 1205792523 /nfs/dbraw/zinc/79/25/23/1205792523.db2.gz IDACVOLSZKOMMR-FPCVCCKLSA-N 0 3 399.557 0.553 20 0 GCADHN CN1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C(C)(C)C1 ZINC001178708673 1205792529 /nfs/dbraw/zinc/79/25/29/1205792529.db2.gz GQZOLHBITMMUKD-QGZVFWFLSA-N 0 3 395.525 0.902 20 0 GCADHN CN1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC001178708863 1205792746 /nfs/dbraw/zinc/79/27/46/1205792746.db2.gz IDACVOLSZKOMMR-JJXSEGSLSA-N 0 3 399.557 0.553 20 0 GCADHN CC(C)(C)OC(=O)N1CCN2C[C@@H](CNC(=O)CCN3CCOC3=O)C[C@H]2C1 ZINC001178784554 1205794485 /nfs/dbraw/zinc/79/44/85/1205794485.db2.gz ZDGXYYPCNANBGN-CABCVRRESA-N 0 3 396.488 0.886 20 0 GCADHN CN1CCN(CC(=O)N(c2nc(N3CCCC3)nc3c2CNCC3)C2CC2)CC1 ZINC001178948381 1205797501 /nfs/dbraw/zinc/79/75/01/1205797501.db2.gz JJLRDZMQCFVBOO-UHFFFAOYSA-N 0 3 399.543 0.465 20 0 GCADHN CN1CCN(CC(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)CC1 ZINC001178952984 1205797638 /nfs/dbraw/zinc/79/76/38/1205797638.db2.gz XCBCRDQRSSGSDP-SJORKVTESA-N 0 3 395.548 0.291 20 0 GCADHN C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008408 1205799011 /nfs/dbraw/zinc/79/90/11/1205799011.db2.gz KEXLOYLPECQLOV-SZNDQCEHSA-N 0 3 387.480 0.651 20 0 GCADHN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CC(N[C@H]3CCOC3)C2)C1 ZINC001179008051 1205799034 /nfs/dbraw/zinc/79/90/34/1205799034.db2.gz HEKKGCURCQWZQR-GOEBONIOSA-N 0 3 383.489 0.992 20 0 GCADHN O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008892 1205799457 /nfs/dbraw/zinc/79/94/57/1205799457.db2.gz UKKUJCARYAPXEQ-OAHLLOKOSA-N 0 3 379.482 0.578 20 0 GCADHN O=C([C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008573 1205799471 /nfs/dbraw/zinc/79/94/71/1205799471.db2.gz NGYQSMDPQJXINH-NVXWUHKLSA-N 0 3 375.444 0.806 20 0 GCADHN COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccccc1OC ZINC001110227157 1205801481 /nfs/dbraw/zinc/80/14/81/1205801481.db2.gz NPFLCVHTAWJESS-TVFCKZIOSA-N 0 3 378.469 0.941 20 0 GCADHN CCC(CC)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H]1C ZINC001179202916 1205804652 /nfs/dbraw/zinc/80/46/52/1205804652.db2.gz VKMCCLXUHZDMKY-OLIUUXKNSA-N 0 3 381.517 0.922 20 0 GCADHN CC(C)CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1C ZINC001179584897 1205812532 /nfs/dbraw/zinc/81/25/32/1205812532.db2.gz FYKOSEAOZYXPPT-OTJKEOIZSA-N 0 3 380.489 0.615 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1)C1CCOCC1 ZINC001110231355 1205813349 /nfs/dbraw/zinc/81/33/49/1205813349.db2.gz JOOAYLNPCQBZJY-JFRXWTBNSA-N 0 3 382.501 0.691 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1)C1CCOCC1 ZINC001110231357 1205813362 /nfs/dbraw/zinc/81/33/62/1205813362.db2.gz JOOAYLNPCQBZJY-RWQQGDIJSA-N 0 3 382.501 0.691 20 0 GCADHN CC(C)(CNC(N)=O)NCc1ccc(S(N)(=O)=O)c(Br)c1 ZINC001179729876 1205813818 /nfs/dbraw/zinc/81/38/18/1205813818.db2.gz PBLLPDXTGCSUHI-UHFFFAOYSA-N 0 3 379.280 0.633 20 0 GCADHN CC(=O)N(C)CCC(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1 ZINC001180228570 1205819328 /nfs/dbraw/zinc/81/93/28/1205819328.db2.gz RYPZIIGQGWZGOH-CVEARBPZSA-N 0 3 382.505 0.912 20 0 GCADHN CN1CCC(CO)(NC(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001180374577 1205822427 /nfs/dbraw/zinc/82/24/27/1205822427.db2.gz AMYXCXJVQYGDLT-UHFFFAOYSA-N 0 3 385.505 0.975 20 0 GCADHN CCN(CC)CC(=O)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@@H]2C ZINC001180388786 1205823479 /nfs/dbraw/zinc/82/34/79/1205823479.db2.gz PWNWCMKHGRGAET-OAHLLOKOSA-N 0 3 377.489 0.875 20 0 GCADHN CCN(CC)CC(=O)N1Cc2ncn(C)c2[C@@H](COCCN2CCOCC2)C1 ZINC001180386717 1205823534 /nfs/dbraw/zinc/82/35/34/1205823534.db2.gz AOWGPAOOLJTKIP-QGZVFWFLSA-N 0 3 393.532 0.537 20 0 GCADHN COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)Nc1nccnc1C(N)=O ZINC001180405732 1205824581 /nfs/dbraw/zinc/82/45/81/1205824581.db2.gz QABGGXGTMACMTJ-UONOGXRCSA-N 0 3 383.408 0.435 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1)N1CCCC1 ZINC001180580721 1205826076 /nfs/dbraw/zinc/82/60/76/1205826076.db2.gz UDRZSISEWAWFAQ-LEUOFYLZSA-N 0 3 389.500 0.498 20 0 GCADHN C[C@H](C(=O)N1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21)N1CCCC1 ZINC001180579200 1205826205 /nfs/dbraw/zinc/82/62/05/1205826205.db2.gz NRBNWMIWRVIPNV-QKPAOTATSA-N 0 3 375.473 0.393 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1)N1CCCC1 ZINC001180577671 1205826261 /nfs/dbraw/zinc/82/62/61/1205826261.db2.gz CNYDDNCIKMYCCJ-QKLQHJQFSA-N 0 3 379.501 0.585 20 0 GCADHN C[C@H](C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1)N1CCCC1 ZINC001180580712 1205826293 /nfs/dbraw/zinc/82/62/93/1205826293.db2.gz UDRZSISEWAWFAQ-LAVFITLUSA-N 0 3 389.500 0.498 20 0 GCADHN C[C@@H](C(=O)N1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1)N1CCCC1 ZINC001180578577 1205826338 /nfs/dbraw/zinc/82/63/38/1205826338.db2.gz GNZIUOCFEHXZOU-QKLQHJQFSA-N 0 3 379.501 0.870 20 0 GCADHN CN(CC(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1)C1CCCC1 ZINC001180626971 1205828804 /nfs/dbraw/zinc/82/88/04/1205828804.db2.gz ACULEIBQCCFSQI-LMMKCTJWSA-N 0 3 393.528 0.831 20 0 GCADHN CN(C)C[C@H]1COCCN1C(=O)COCCOCCNC(=O)OC(C)(C)C ZINC001181146581 1205839802 /nfs/dbraw/zinc/83/98/02/1205839802.db2.gz MXPCLOKRKOKLRA-HNNXBMFYSA-N 0 3 389.493 0.333 20 0 GCADHN NC[C@H](NC(=O)COCCO)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001181799585 1205850067 /nfs/dbraw/zinc/85/00/67/1205850067.db2.gz CSYLIXQXKDRGLG-IBGZPJMESA-N 0 3 384.432 0.795 20 0 GCADHN CC(=O)N/C(=C\c1cccs1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000817550949 1205850638 /nfs/dbraw/zinc/85/06/38/1205850638.db2.gz YYDJYNLXGABRNK-NOCRFKNCSA-N 0 3 390.509 0.990 20 0 GCADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000817556305 1205850649 /nfs/dbraw/zinc/85/06/49/1205850649.db2.gz XGXMJWSQHVYMNO-RWMBFGLXSA-N 0 3 389.518 0.947 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccccc1 ZINC001110248908 1205852261 /nfs/dbraw/zinc/85/22/61/1205852261.db2.gz NXVOPMYLCIQNLH-MKXGPGLRSA-N 0 3 375.469 0.422 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001181997723 1205853053 /nfs/dbraw/zinc/85/30/53/1205853053.db2.gz SQBYFKGBGDOGLH-OPYAIIAOSA-N 0 3 393.528 0.975 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001181993900 1205853063 /nfs/dbraw/zinc/85/30/63/1205853063.db2.gz GHMHRAMHEPENGK-OXQOHEQNSA-N 0 3 378.517 0.790 20 0 GCADHN CN1CCC(O)(C(=O)N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)CC1 ZINC001182030680 1205853574 /nfs/dbraw/zinc/85/35/74/1205853574.db2.gz FHLXMLJYBKHQBR-BRWVUGGUSA-N 0 3 375.469 0.923 20 0 GCADHN CN1CCC(O)(C(=O)n2c(N)c3nc(-c4cccc(O)c4)cnc3nc2=N)CC1 ZINC001182028194 1205853634 /nfs/dbraw/zinc/85/36/34/1205853634.db2.gz OFMNBTIPDQUIKA-UHFFFAOYSA-N 0 3 395.423 0.357 20 0 GCADHN CN1CCC(O)(C(=O)Nc2ncc(N)cc2I)CC1 ZINC001182027508 1205853762 /nfs/dbraw/zinc/85/37/62/1205853762.db2.gz AILYASZUIRXZIM-UHFFFAOYSA-N 0 3 376.198 0.664 20 0 GCADHN CN1CCC(O)(C(=O)N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)CC1 ZINC001182033636 1205853845 /nfs/dbraw/zinc/85/38/45/1205853845.db2.gz YLMNSNXCVDOHNF-DJIMGWMZSA-N 0 3 379.501 0.365 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)CC1 ZINC001182031086 1205853973 /nfs/dbraw/zinc/85/39/73/1205853973.db2.gz LJITUBCUCHEOMX-OAHLLOKOSA-N 0 3 379.501 0.510 20 0 GCADHN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1(O)CCN(C)CC1 ZINC001182031080 1205854089 /nfs/dbraw/zinc/85/40/89/1205854089.db2.gz LIVAXXVKQFMNPS-AWEZNQCLSA-N 0 3 399.488 0.454 20 0 GCADHN COC(=O)c1cc(NC(=O)C2(O)CCN(C)CC2)c(OC)c(OC(C)=O)c1 ZINC001182034846 1205854337 /nfs/dbraw/zinc/85/43/37/1205854337.db2.gz SLDJABPPINHPOF-UHFFFAOYSA-N 0 3 380.397 0.802 20 0 GCADHN CN1CCC(O)(C(=O)NC[C@H]2Cn3nnc(-c4cccc(F)c4)c3CO2)CC1 ZINC001182033852 1205854387 /nfs/dbraw/zinc/85/43/87/1205854387.db2.gz QMTSVDAPXGFQSX-HNNXBMFYSA-N 0 3 389.431 0.556 20 0 GCADHN COc1ccc(NC(=O)[C@H]2C[C@@H]2C(N)=O)cc1OCCCN1CCN(C)CC1 ZINC001182385857 1205866923 /nfs/dbraw/zinc/86/69/23/1205866923.db2.gz XXVRXWWEGASPHI-HOTGVXAUSA-N 0 3 390.484 0.771 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000774244897 1205867597 /nfs/dbraw/zinc/86/75/97/1205867597.db2.gz PKLBKQZWUDVIJQ-BMFZPTHFSA-N 0 3 380.489 0.665 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)N3C[C@H](O)C[C@@H]3CO)CC2)C1 ZINC001183160281 1205888780 /nfs/dbraw/zinc/88/87/80/1205888780.db2.gz KDUXPRMJKWEOKX-BRWVUGGUSA-N 0 3 397.516 0.662 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)NC[C@@H]3CNC(=O)O3)CC2)C1 ZINC001183166556 1205889153 /nfs/dbraw/zinc/88/91/53/1205889153.db2.gz CCTBHPQCGFJCKS-LSDHHAIUSA-N 0 3 396.488 0.932 20 0 GCADHN CN1CCCN(CCNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)CC1 ZINC001183309398 1205890771 /nfs/dbraw/zinc/89/07/71/1205890771.db2.gz NQZKNHDHUROIQC-HNNXBMFYSA-N 0 3 382.505 0.566 20 0 GCADHN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H](C(C)C)N(C)C ZINC001183360882 1205891407 /nfs/dbraw/zinc/89/14/07/1205891407.db2.gz UWKWBSZQOMQDJY-WMLDXEAASA-N 0 3 375.477 0.622 20 0 GCADHN CC(C)[C@H](C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1)N(C)C ZINC001183360844 1205891457 /nfs/dbraw/zinc/89/14/57/1205891457.db2.gz UDJFEWMZGUWWEY-POAQFYNOSA-N 0 3 381.517 0.687 20 0 GCADHN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)N3CCN4CCC3CC4)=C([C@H]3CCCO3)S[C@H]12 ZINC001183460485 1205893202 /nfs/dbraw/zinc/89/32/02/1205893202.db2.gz UMAAFXVVWLGPAZ-BNVDUDBASA-N 0 3 393.509 0.596 20 0 GCADHN C[C@]1(O)C=C[C@H](O)C(C(=O)N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)=C1 ZINC001183541728 1205894523 /nfs/dbraw/zinc/89/45/23/1205894523.db2.gz VHNLBBNNTZEROU-REHHDOPLSA-N 0 3 385.464 0.491 20 0 GCADHN CC[C@@H]1CCN(CC(=O)N2CCC(N)(C(=O)NCc3ccccc3)CC2)C1=O ZINC001183671648 1205897237 /nfs/dbraw/zinc/89/72/37/1205897237.db2.gz HWLUPHUANFZJPU-QGZVFWFLSA-N 0 3 386.496 0.881 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000774667479 1205898671 /nfs/dbraw/zinc/89/86/71/1205898671.db2.gz GQDAMHNUBROUKF-GJZGRUSLSA-N 0 3 377.441 0.299 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000774725546 1205906466 /nfs/dbraw/zinc/90/64/66/1205906466.db2.gz FCLJIKWCXJLRNH-JKSUJKDBSA-N 0 3 391.468 0.342 20 0 GCADHN CCCN1CCC(NC(=O)[C@@H](O)[C@H](NC(C)=O)C(=O)c2ccccc2)CC1 ZINC001184420877 1205910349 /nfs/dbraw/zinc/91/03/49/1205910349.db2.gz IIIVYEGHYURCEY-MJGOQNOKSA-N 0 3 375.469 0.726 20 0 GCADHN CC(C)N(C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)C(C)C ZINC001184483985 1205911238 /nfs/dbraw/zinc/91/12/38/1205911238.db2.gz ZYRKHGSVPKPWHE-MJQMVNBJSA-N 0 3 381.517 0.874 20 0 GCADHN CN1CCN(C)[C@H](C(=O)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)C1 ZINC001185251364 1205919298 /nfs/dbraw/zinc/91/92/98/1205919298.db2.gz NPBQANYWOZKJHB-QRQLOZEOSA-N 0 3 376.476 0.735 20 0 GCADHN C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2C(=O)NCC(F)(F)F)N1CCCC1 ZINC001273504248 1205922630 /nfs/dbraw/zinc/92/26/30/1205922630.db2.gz DICQNPQQKIXDPC-XQQFMLRXSA-N 0 3 378.395 0.654 20 0 GCADHN CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCOC[C@@H]1CN(C)C ZINC001185835909 1205929743 /nfs/dbraw/zinc/92/97/43/1205929743.db2.gz ZJNBOCNNMZKETD-HRCADAONSA-N 0 3 399.488 0.574 20 0 GCADHN CC(=O)NCCNC(=O)CCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000269593814 1205936878 /nfs/dbraw/zinc/93/68/78/1205936878.db2.gz DBJRINGVBYVOAB-OAHLLOKOSA-N 0 3 389.500 0.756 20 0 GCADHN CN1c2ccc(S(=O)(=O)NCCCN3CCC[C@H](C(N)=O)C3)cc2CC1=O ZINC001186277032 1205937214 /nfs/dbraw/zinc/93/72/14/1205937214.db2.gz ABSOEHYHNGTWGO-ZDUSSCGKSA-N 0 3 394.497 0.071 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000775015374 1205939564 /nfs/dbraw/zinc/93/95/64/1205939564.db2.gz VAGLKRZCZYSHMS-HNNXBMFYSA-N 0 3 382.505 0.960 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000775015378 1205939662 /nfs/dbraw/zinc/93/96/62/1205939662.db2.gz VAGLKRZCZYSHMS-OAHLLOKOSA-N 0 3 382.505 0.960 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000775037731 1205943534 /nfs/dbraw/zinc/94/35/34/1205943534.db2.gz MHYFBHLDBRHFDI-CABCVRRESA-N 0 3 382.505 0.960 20 0 GCADHN CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@@H](C(=O)N(c2ncccn2)C2CNC2)C1 ZINC001186795164 1205948852 /nfs/dbraw/zinc/94/88/52/1205948852.db2.gz JFSZQLMAAUSHLM-LIRRHRJNSA-N 0 3 388.424 0.289 20 0 GCADHN CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@H](C(=O)N(c2ncccn2)C2CNC2)C1 ZINC001186795163 1205948888 /nfs/dbraw/zinc/94/88/88/1205948888.db2.gz JFSZQLMAAUSHLM-KUHUBIRLSA-N 0 3 388.424 0.289 20 0 GCADHN CN(C)CCN1CCN(C)C2(CCN(S(=O)(=O)c3ccco3)CC2)C1=O ZINC001186830367 1205950059 /nfs/dbraw/zinc/95/00/59/1205950059.db2.gz MEISOZWPNHUBMI-UHFFFAOYSA-N 0 3 384.502 0.139 20 0 GCADHN Cc1oncc1S(=O)(=O)N1CCC(N2CCC(C(=O)N(C)C)CC2)CC1 ZINC001187351183 1205961560 /nfs/dbraw/zinc/96/15/60/1205961560.db2.gz KGVSVASUYLFIPO-UHFFFAOYSA-N 0 3 384.502 0.936 20 0 GCADHN CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC2(CO)CCN(C)CC2)C1 ZINC001187410104 1205962204 /nfs/dbraw/zinc/96/22/04/1205962204.db2.gz XQXJMHANCBAWJB-HUUCEWRRSA-N 0 3 385.505 0.974 20 0 GCADHN CN1CCC[C@](C)(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187541069 1205965174 /nfs/dbraw/zinc/96/51/74/1205965174.db2.gz IGYSNROFDDPUKR-FIKGOQFSSA-N 0 3 386.496 0.593 20 0 GCADHN NC(=O)C1(NS(=O)(=O)c2nccs2)CCN(Cc2ccccc2)CC1 ZINC001187917689 1205971165 /nfs/dbraw/zinc/97/11/65/1205971165.db2.gz FVDTVNVVAYUKPO-UHFFFAOYSA-N 0 3 380.495 0.942 20 0 GCADHN CN(C)c1nccc(C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)n1 ZINC001187998635 1205973553 /nfs/dbraw/zinc/97/35/53/1205973553.db2.gz DNPLGKYBVKXURX-UHFFFAOYSA-N 0 3 393.455 0.869 20 0 GCADHN CCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001110397475 1205974553 /nfs/dbraw/zinc/97/45/53/1205974553.db2.gz KTRDAPXGUKZAHT-WTTBNOFXSA-N 0 3 379.457 0.405 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)c1c(I)cnn1C ZINC001188464971 1205983255 /nfs/dbraw/zinc/98/32/55/1205983255.db2.gz DIUWSLBWXYBVQN-SECBINFHSA-N 0 3 378.214 0.427 20 0 GCADHN CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1 ZINC001189117376 1205995600 /nfs/dbraw/zinc/99/56/00/1205995600.db2.gz JPLIIWIIVSOPQO-MLHJIOFPSA-N 0 3 379.501 0.726 20 0 GCADHN O=C(Cc1ccon1)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001110407914 1206005067 /nfs/dbraw/zinc/00/50/67/1206005067.db2.gz IGGCBQPVZRBAIK-SYQHCUMBSA-N 0 3 377.363 0.878 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)c1ccoc1C(F)(F)F)C2 ZINC001273588097 1206016888 /nfs/dbraw/zinc/01/68/88/1206016888.db2.gz YCPQQPWZJDKQKZ-UHFFFAOYSA-N 0 3 375.347 0.913 20 0 GCADHN COC(=O)[C@@H](NC(=O)N1CCc2ccc(=O)n(CCN(C)C)c2CC1)C(C)C ZINC001190215264 1206031079 /nfs/dbraw/zinc/03/10/79/1206031079.db2.gz VRMRFFHTMIDMDU-SFHVURJKSA-N 0 3 392.500 0.718 20 0 GCADHN CSc1ncc(C(=O)n2ccc(=NCCN3CCOCC3)c(N)c2)c(C)n1 ZINC001190504774 1206036624 /nfs/dbraw/zinc/03/66/24/1206036624.db2.gz DEDHXGYIRHARRJ-UHFFFAOYSA-N 0 3 388.497 0.812 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N3CCN(C)[C@H](C(=O)OC)C3)cc2)CC1 ZINC001190849147 1206047830 /nfs/dbraw/zinc/04/78/30/1206047830.db2.gz BZJUOMCFYYEWGS-IBGZPJMESA-N 0 3 388.512 0.753 20 0 GCADHN CCN1CCN(Cc2ccc(C(=O)N[C@@H](CCC(=O)OC)C(N)=O)cc2)CC1 ZINC001190865843 1206048769 /nfs/dbraw/zinc/04/87/69/1206048769.db2.gz LZBGSWZFBXHVHZ-KRWDZBQOSA-N 0 3 390.484 0.361 20 0 GCADHN CCOC(=O)c1cnc(C(F)(F)N2CCNC[C@H]2C(=O)OC)nc1Cl ZINC001164624111 719131005 /nfs/dbraw/zinc/13/10/05/719131005.db2.gz TWVULQZQTWNSMC-VIFPVBQESA-N 0 3 378.763 0.803 20 0 GCADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCNC[C@@H]1C(=O)OC ZINC001164619201 719131193 /nfs/dbraw/zinc/13/11/93/719131193.db2.gz CXKPSKCUADOFNI-SECBINFHSA-N 0 3 378.763 0.803 20 0 GCADHN COCCN1CCN(C)C2(CCN(c3cc(CN(C)C)ccn3)CC2)C1=O ZINC001164644862 719282152 /nfs/dbraw/zinc/28/21/52/719282152.db2.gz UWYPWZGWYDHWDP-UHFFFAOYSA-N 0 3 375.517 0.903 20 0 GCADHN CCOC(=O)c1cnc(OC)nc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164684171 719714719 /nfs/dbraw/zinc/71/47/19/719714719.db2.gz NLBUDGRZXSNNQL-UHFFFAOYSA-N 0 3 391.472 0.843 20 0 GCADHN CN1CCN(c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)CC1 ZINC001164743680 720622630 /nfs/dbraw/zinc/62/26/30/720622630.db2.gz PZMVCYGWFMOIKX-SJORKVTESA-N 0 3 396.499 0.360 20 0 GCADHN c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)n1 ZINC001164744169 720725744 /nfs/dbraw/zinc/72/57/44/720725744.db2.gz RIWQEJRLBPBHJQ-HZPDHXFCSA-N 0 3 383.456 0.445 20 0 GCADHN CN1CCN(c2nccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164746651 720788041 /nfs/dbraw/zinc/78/80/41/720788041.db2.gz MGAPQWVKNYBJLM-DLBZAZTESA-N 0 3 396.499 0.360 20 0 GCADHN CN1CCN(c2nccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164746652 720788745 /nfs/dbraw/zinc/78/87/45/720788745.db2.gz MGAPQWVKNYBJLM-IAGOWNOFSA-N 0 3 396.499 0.360 20 0 GCADHN Cc1nc(-n2cncn2)cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164744024 720796904 /nfs/dbraw/zinc/79/69/04/720796904.db2.gz HECPPXFRQYERNN-GJZGRUSLSA-N 0 3 379.428 0.498 20 0 GCADHN Cn1cc(CN2CC[C@H]3CN(c4ccnc(N5CCN(C)CC5)n4)C[C@H]3C2)cn1 ZINC001164762506 721223998 /nfs/dbraw/zinc/22/39/98/721223998.db2.gz CNBVPRSTNZURKX-RBUKOAKNSA-N 0 3 396.543 0.920 20 0 GCADHN Cc1nc2cnc(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)nc2[nH]1 ZINC001164874268 721281166 /nfs/dbraw/zinc/28/11/66/721281166.db2.gz PCWIQXWIUMGQHR-UHFFFAOYSA-N 0 3 387.488 0.620 20 0 GCADHN Cc1nc(N(C)C)cc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1 ZINC001164996072 722229892 /nfs/dbraw/zinc/22/98/92/722229892.db2.gz CPNYJGJFZFJNQH-UHFFFAOYSA-N 0 3 382.516 0.998 20 0 GCADHN CN1CCN(c2ncnc3c2CCN(c2ncnc4c2CCNC4)CC3)CC1 ZINC001164996481 722231240 /nfs/dbraw/zinc/23/12/40/722231240.db2.gz IAEDICLUGJMWHB-UHFFFAOYSA-N 0 3 380.500 0.269 20 0 GCADHN Cn1cnc(C(=O)N2CCC[C@H](NCc3cc(-c4nn[nH]n4)ccc3F)C2)n1 ZINC001571257859 945344507 /nfs/dbraw/zinc/34/45/07/945344507.db2.gz KHOPAOQMNPXTFW-ZDUSSCGKSA-N 0 3 385.407 0.529 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736860778 944899869 /nfs/dbraw/zinc/89/98/69/944899869.db2.gz VZKBYUYKLVGWOW-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736860778 944899873 /nfs/dbraw/zinc/89/98/73/944899873.db2.gz VZKBYUYKLVGWOW-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736860778 944899875 /nfs/dbraw/zinc/89/98/75/944899875.db2.gz VZKBYUYKLVGWOW-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736860778 944899881 /nfs/dbraw/zinc/89/98/81/944899881.db2.gz VZKBYUYKLVGWOW-GJZGRUSLSA-N 0 3 385.476 0.942 20 0 GCADHN O=C(N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)C12CC[NH+](CC1)C2 ZINC001571259655 945393886 /nfs/dbraw/zinc/39/38/86/945393886.db2.gz ISPBTCGUZNXAFO-CQSZACIVSA-N 0 3 385.447 0.792 20 0 GCADHN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001571264227 945477481 /nfs/dbraw/zinc/47/74/81/945477481.db2.gz JEVPLBSSIBZJJQ-KRWDZBQOSA-N 0 3 385.472 0.232 20 0 GCADHN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001571264227 945477485 /nfs/dbraw/zinc/47/74/85/945477485.db2.gz JEVPLBSSIBZJJQ-KRWDZBQOSA-N 0 3 385.472 0.232 20 0 GCADHN CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571265001 945497366 /nfs/dbraw/zinc/49/73/66/945497366.db2.gz AUGQGDXMOVJXHJ-JXQTWKCFSA-N 0 3 385.476 0.932 20 0 GCADHN CN(C(=O)[C@H]1CCC[N@H+]1C)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571265001 945497369 /nfs/dbraw/zinc/49/73/69/945497369.db2.gz AUGQGDXMOVJXHJ-JXQTWKCFSA-N 0 3 385.476 0.932 20 0 GCADHN CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265283 945507212 /nfs/dbraw/zinc/50/72/12/945507212.db2.gz FXJUFNZAXWAPAS-UHFFFAOYSA-N 0 3 385.476 0.932 20 0 GCADHN C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001571265747 945519068 /nfs/dbraw/zinc/51/90/68/945519068.db2.gz JMLQZLDNPOOFNP-STQMWFEESA-N 0 3 385.476 0.932 20 0 GCADHN C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571265747 945519074 /nfs/dbraw/zinc/51/90/74/945519074.db2.gz JMLQZLDNPOOFNP-STQMWFEESA-N 0 3 385.476 0.932 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265802 945521729 /nfs/dbraw/zinc/52/17/29/945521729.db2.gz KQVNLVWKTRAQRO-KBPBESRZSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265802 945521736 /nfs/dbraw/zinc/52/17/36/945521736.db2.gz KQVNLVWKTRAQRO-KBPBESRZSA-N 0 3 385.476 0.649 20 0 GCADHN CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)[NH+](C)C ZINC001571265907 945522915 /nfs/dbraw/zinc/52/29/15/945522915.db2.gz KRZGKAPLUXPIDV-KFWWJZLASA-N 0 3 385.476 0.567 20 0 GCADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571266263 945535471 /nfs/dbraw/zinc/53/54/71/945535471.db2.gz YOTFODKAYYQSSO-UONOGXRCSA-N 0 3 385.476 0.792 20 0 GCADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571266263 945535482 /nfs/dbraw/zinc/53/54/82/945535482.db2.gz YOTFODKAYYQSSO-UONOGXRCSA-N 0 3 385.476 0.792 20 0 GCADHN CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266471 945542060 /nfs/dbraw/zinc/54/20/60/945542060.db2.gz RKCBYZMDFQSPDE-HIFRSBDPSA-N 0 3 385.476 0.615 20 0 GCADHN CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266471 945542063 /nfs/dbraw/zinc/54/20/63/945542063.db2.gz RKCBYZMDFQSPDE-HIFRSBDPSA-N 0 3 385.476 0.615 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571266427 945542193 /nfs/dbraw/zinc/54/21/93/945542193.db2.gz QOGCIORGOGAFNN-HOCLYGCPSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571266427 945542197 /nfs/dbraw/zinc/54/21/97/945542197.db2.gz QOGCIORGOGAFNN-HOCLYGCPSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571266427 945542203 /nfs/dbraw/zinc/54/22/03/945542203.db2.gz QOGCIORGOGAFNN-HOCLYGCPSA-N 0 3 385.472 0.940 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571266427 945542208 /nfs/dbraw/zinc/54/22/08/945542208.db2.gz QOGCIORGOGAFNN-HOCLYGCPSA-N 0 3 385.472 0.940 20 0 GCADHN C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001571266544 945545494 /nfs/dbraw/zinc/54/54/94/945545494.db2.gz TWEMPYDHKZYRIO-SWLSCSKDSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001571266544 945545501 /nfs/dbraw/zinc/54/55/01/945545501.db2.gz TWEMPYDHKZYRIO-SWLSCSKDSA-N 0 3 385.476 0.790 20 0 GCADHN O=C(CN1CCOCC1)NC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571266552 945545628 /nfs/dbraw/zinc/54/56/28/945545628.db2.gz UDKMFFZQYYAQHV-UHFFFAOYSA-N 0 3 385.472 0.280 20 0 GCADHN CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001571266755 945551722 /nfs/dbraw/zinc/55/17/22/945551722.db2.gz YPHNXWARCRZJNT-CQSZACIVSA-N 0 3 385.476 0.568 20 0 GCADHN CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001571266755 945551727 /nfs/dbraw/zinc/55/17/27/945551727.db2.gz YPHNXWARCRZJNT-CQSZACIVSA-N 0 3 385.476 0.568 20 0 GCADHN C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001571266814 945553506 /nfs/dbraw/zinc/55/35/06/945553506.db2.gz ZPDZNROPEIBPSG-QWHCGFSZSA-N 0 3 385.476 0.790 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001571267091 945561262 /nfs/dbraw/zinc/56/12/62/945561262.db2.gz IZGJKEWTRMMJMW-MFKMUULPSA-N 0 3 386.391 0.887 20 0 GCADHN C[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001571267091 945561265 /nfs/dbraw/zinc/56/12/65/945561265.db2.gz IZGJKEWTRMMJMW-MFKMUULPSA-N 0 3 386.391 0.887 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001571267351 945566758 /nfs/dbraw/zinc/56/67/58/945566758.db2.gz RMYSANABRFZPHM-GFCCVEGCSA-N 0 3 386.391 0.983 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001571267351 945566762 /nfs/dbraw/zinc/56/67/62/945566762.db2.gz RMYSANABRFZPHM-GFCCVEGCSA-N 0 3 386.391 0.983 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001571267351 945566763 /nfs/dbraw/zinc/56/67/63/945566763.db2.gz RMYSANABRFZPHM-GFCCVEGCSA-N 0 3 386.391 0.983 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001571267351 945566765 /nfs/dbraw/zinc/56/67/65/945566765.db2.gz RMYSANABRFZPHM-GFCCVEGCSA-N 0 3 386.391 0.983 20 0 GCADHN Cc1nonc1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001571268508 945598494 /nfs/dbraw/zinc/59/84/94/945598494.db2.gz UQQOJFONEJSNQR-NSHDSACASA-N 0 3 386.391 0.949 20 0 GCADHN Cc1nonc1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571268508 945598500 /nfs/dbraw/zinc/59/85/00/945598500.db2.gz UQQOJFONEJSNQR-NSHDSACASA-N 0 3 386.391 0.949 20 0 GCADHN Cc1nonc1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571268831 945605196 /nfs/dbraw/zinc/60/51/96/945605196.db2.gz XSJHKRFODNXCAK-GFCCVEGCSA-N 0 3 386.391 0.949 20 0 GCADHN Cc1nonc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571268831 945605205 /nfs/dbraw/zinc/60/52/05/945605205.db2.gz XSJHKRFODNXCAK-GFCCVEGCSA-N 0 3 386.391 0.949 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)C1 ZINC001571272250 945658719 /nfs/dbraw/zinc/65/87/19/945658719.db2.gz BUHXHQODASQEFA-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)C1 ZINC001571272250 945658724 /nfs/dbraw/zinc/65/87/24/945658724.db2.gz BUHXHQODASQEFA-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@@H+]1CC[C@H](C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)C1 ZINC001571272250 945658727 /nfs/dbraw/zinc/65/87/27/945658727.db2.gz BUHXHQODASQEFA-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)C1 ZINC001571272250 945658732 /nfs/dbraw/zinc/65/87/32/945658732.db2.gz BUHXHQODASQEFA-FZMZJTMJSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)C1 ZINC001571272251 945658916 /nfs/dbraw/zinc/65/89/16/945658916.db2.gz BUHXHQODASQEFA-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)C1 ZINC001571272251 945658920 /nfs/dbraw/zinc/65/89/20/945658920.db2.gz BUHXHQODASQEFA-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)C1 ZINC001571272251 945658923 /nfs/dbraw/zinc/65/89/23/945658923.db2.gz BUHXHQODASQEFA-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)C1 ZINC001571272251 945658930 /nfs/dbraw/zinc/65/89/30/945658930.db2.gz BUHXHQODASQEFA-RISCZKNCSA-N 0 3 386.460 0.113 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)NC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571272830 945671492 /nfs/dbraw/zinc/67/14/92/945671492.db2.gz JEOPOSBBCDBRTC-HIFPTAJRSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)NC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571272830 945671499 /nfs/dbraw/zinc/67/14/99/945671499.db2.gz JEOPOSBBCDBRTC-HIFPTAJRSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@@H+]1CC[C@@H](CC(=O)NC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571272830 945671506 /nfs/dbraw/zinc/67/15/06/945671506.db2.gz JEOPOSBBCDBRTC-HIFPTAJRSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+]1CC[C@@H](CC(=O)NC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571272830 945671512 /nfs/dbraw/zinc/67/15/12/945671512.db2.gz JEOPOSBBCDBRTC-HIFPTAJRSA-N 0 3 386.460 0.161 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571272833 945671564 /nfs/dbraw/zinc/67/15/64/945671564.db2.gz JEOPOSBBCDBRTC-UPJWGTAASA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571272833 945671569 /nfs/dbraw/zinc/67/15/69/945671569.db2.gz JEOPOSBBCDBRTC-UPJWGTAASA-N 0 3 386.460 0.161 20 0 GCADHN C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571272833 945671574 /nfs/dbraw/zinc/67/15/74/945671574.db2.gz JEOPOSBBCDBRTC-UPJWGTAASA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571272833 945671577 /nfs/dbraw/zinc/67/15/77/945671577.db2.gz JEOPOSBBCDBRTC-UPJWGTAASA-N 0 3 386.460 0.161 20 0 GCADHN C[N@H+](C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCNC1=O ZINC001571272940 945675907 /nfs/dbraw/zinc/67/59/07/945675907.db2.gz LIZGMZUWMBNZIY-DOMZBBRYSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCNC1=O ZINC001571272940 945675914 /nfs/dbraw/zinc/67/59/14/945675914.db2.gz LIZGMZUWMBNZIY-DOMZBBRYSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+](C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCNC1=O ZINC001571272943 945675951 /nfs/dbraw/zinc/67/59/51/945675951.db2.gz LIZGMZUWMBNZIY-WFASDCNBSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCNC1=O ZINC001571272943 945675955 /nfs/dbraw/zinc/67/59/55/945675955.db2.gz LIZGMZUWMBNZIY-WFASDCNBSA-N 0 3 386.460 0.257 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821351250 945677917 /nfs/dbraw/zinc/67/79/17/945677917.db2.gz NYCBCAYKRYPCQK-CYBMUJFWSA-N 0 3 389.460 0.587 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821351250 945677921 /nfs/dbraw/zinc/67/79/21/945677921.db2.gz NYCBCAYKRYPCQK-CYBMUJFWSA-N 0 3 389.460 0.587 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001571273046 945678043 /nfs/dbraw/zinc/67/80/43/945678043.db2.gz NXRSVFGCUCESAM-GXTWGEPZSA-N 0 3 386.460 0.448 20 0 GCADHN CN1CCC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571273033 945678125 /nfs/dbraw/zinc/67/81/25/945678125.db2.gz NPYVJBBIZRLJIE-DOMZBBRYSA-N 0 3 386.460 0.210 20 0 GCADHN CN1CCC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571273033 945678129 /nfs/dbraw/zinc/67/81/29/945678129.db2.gz NPYVJBBIZRLJIE-DOMZBBRYSA-N 0 3 386.460 0.210 20 0 GCADHN CN1CCC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC001571273105 945679243 /nfs/dbraw/zinc/67/92/43/945679243.db2.gz PHHXNHZNTWBYLM-YUTCNCBUSA-N 0 3 386.460 0.304 20 0 GCADHN CN1CCC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC001571273105 945679248 /nfs/dbraw/zinc/67/92/48/945679248.db2.gz PHHXNHZNTWBYLM-YUTCNCBUSA-N 0 3 386.460 0.304 20 0 GCADHN CN1CC[C@H]([NH2+]CC[C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001571273127 945680200 /nfs/dbraw/zinc/68/02/00/945680200.db2.gz PWEGRKVWXWTJIR-KBPBESRZSA-N 0 3 386.460 0.400 20 0 GCADHN CN1CC[C@H]([NH2+]CC[C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001571273127 945680204 /nfs/dbraw/zinc/68/02/04/945680204.db2.gz PWEGRKVWXWTJIR-KBPBESRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[N@H+](C[C@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273325 945685825 /nfs/dbraw/zinc/68/58/25/945685825.db2.gz VNYRYUPQQDYESH-CHWSQXEVSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571273325 945685828 /nfs/dbraw/zinc/68/58/28/945685828.db2.gz VNYRYUPQQDYESH-CHWSQXEVSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@H+](C[C@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273325 945685835 /nfs/dbraw/zinc/68/58/35/945685835.db2.gz VNYRYUPQQDYESH-CHWSQXEVSA-N 0 3 386.460 0.257 20 0 GCADHN C[N@@H+](C[C@H]1CCNC(=O)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571273325 945685842 /nfs/dbraw/zinc/68/58/42/945685842.db2.gz VNYRYUPQQDYESH-CHWSQXEVSA-N 0 3 386.460 0.257 20 0 GCADHN O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@H](CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001571273429 945689096 /nfs/dbraw/zinc/68/90/96/945689096.db2.gz XLHZGWBIHUZIQX-OCCSQVGLSA-N 0 3 386.460 0.305 20 0 GCADHN O=C(C[NH2+]C1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)N1CCCC1 ZINC001571273492 945691238 /nfs/dbraw/zinc/69/12/38/945691238.db2.gz YLUJUKFJMYXPCS-UHFFFAOYSA-N 0 3 386.460 0.448 20 0 GCADHN O=C(C[NH2+]C1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)N1CCCC1 ZINC001571273492 945691246 /nfs/dbraw/zinc/69/12/46/945691246.db2.gz YLUJUKFJMYXPCS-UHFFFAOYSA-N 0 3 386.460 0.448 20 0 GCADHN CC1(NC(=O)[C@H]2COCCO2)CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571275828 945716307 /nfs/dbraw/zinc/71/63/07/945716307.db2.gz DAYSFIHYRPBWJN-MRXNPFEDSA-N 0 3 386.456 0.753 20 0 GCADHN CC1(NC(=O)[C@H]2COCCO2)CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571275828 945716311 /nfs/dbraw/zinc/71/63/11/945716311.db2.gz DAYSFIHYRPBWJN-MRXNPFEDSA-N 0 3 386.456 0.753 20 0 GCADHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001571275863 945718999 /nfs/dbraw/zinc/71/89/99/945718999.db2.gz DKOKZCQBKJGEHH-HNAYVOBHSA-N 0 3 386.456 0.992 20 0 GCADHN CCN(C(=O)[C@H]1CN(C)CCO1)[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571276139 945725307 /nfs/dbraw/zinc/72/53/07/945725307.db2.gz HXGUGIWRDFIAGX-CZUORRHYSA-N 0 3 386.460 0.020 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571276224 945726986 /nfs/dbraw/zinc/72/69/86/945726986.db2.gz FRIVUYABBHBQCF-PWFWHMEDSA-N 0 3 387.419 0.112 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571276224 945726994 /nfs/dbraw/zinc/72/69/94/945726994.db2.gz FRIVUYABBHBQCF-PWFWHMEDSA-N 0 3 387.419 0.112 20 0 GCADHN O=C(C[C@H]1CCCO1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571276628 945734038 /nfs/dbraw/zinc/73/40/38/945734038.db2.gz JWLRXXDSUUTXKQ-CVEARBPZSA-N 0 3 386.456 0.753 20 0 GCADHN O=C(C[C@H]1CCCO1)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571276628 945734047 /nfs/dbraw/zinc/73/40/47/945734047.db2.gz JWLRXXDSUUTXKQ-CVEARBPZSA-N 0 3 386.456 0.753 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571277420 945740199 /nfs/dbraw/zinc/74/01/99/945740199.db2.gz QCRZUIRLFXXHTR-UPJWGTAASA-N 0 3 387.419 0.208 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571277420 945740205 /nfs/dbraw/zinc/74/02/05/945740205.db2.gz QCRZUIRLFXXHTR-UPJWGTAASA-N 0 3 387.419 0.208 20 0 GCADHN O=C([C@H]1CCNC(=O)C1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571277380 945741484 /nfs/dbraw/zinc/74/14/84/945741484.db2.gz POOUZOLNEZMJFZ-STQMWFEESA-N 0 3 387.419 0.223 20 0 GCADHN O=C([C@H]1CCNC(=O)C1)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571277380 945741489 /nfs/dbraw/zinc/74/14/89/945741489.db2.gz POOUZOLNEZMJFZ-STQMWFEESA-N 0 3 387.419 0.223 20 0 GCADHN NC(=O)[C@H]1CC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571278015 945746199 /nfs/dbraw/zinc/74/61/99/945746199.db2.gz UPRHFCQKFSSSSA-ZDEQEGDKSA-N 0 3 387.419 0.254 20 0 GCADHN NC(=O)[C@H]1CC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571278015 945746203 /nfs/dbraw/zinc/74/62/03/945746203.db2.gz UPRHFCQKFSSSSA-ZDEQEGDKSA-N 0 3 387.419 0.254 20 0 GCADHN NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571278014 945746659 /nfs/dbraw/zinc/74/66/59/945746659.db2.gz UPRHFCQKFSSSSA-LPWJVIDDSA-N 0 3 387.419 0.254 20 0 GCADHN NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571278014 945746668 /nfs/dbraw/zinc/74/66/68/945746668.db2.gz UPRHFCQKFSSSSA-LPWJVIDDSA-N 0 3 387.419 0.254 20 0 GCADHN O=C([C@H]1CCNC(=O)C1)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571278334 945750696 /nfs/dbraw/zinc/75/06/96/945750696.db2.gz YAHYXIYEARDODS-QWHCGFSZSA-N 0 3 387.419 0.223 20 0 GCADHN O=C(NC[C@@H]1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1COCCO1 ZINC001571278392 945751107 /nfs/dbraw/zinc/75/11/07/945751107.db2.gz NAWBHGIJZWMIAY-DLBZAZTESA-N 0 3 386.456 0.753 20 0 GCADHN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nnn[n-]2)c1)[C@H]1COCCO1 ZINC001571278530 945756506 /nfs/dbraw/zinc/75/65/06/945756506.db2.gz PBJZYTMIXWBHHJ-BRWVUGGUSA-N 0 3 386.456 0.799 20 0 GCADHN O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(-c2nn[n-]n2)c1)[C@H]1COCCO1 ZINC001571278530 945756517 /nfs/dbraw/zinc/75/65/17/945756517.db2.gz PBJZYTMIXWBHHJ-BRWVUGGUSA-N 0 3 386.456 0.799 20 0 GCADHN O=C(C1CCOCC1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571278689 945757799 /nfs/dbraw/zinc/75/77/99/945757799.db2.gz QZEDIGZENDAFLL-QGZVFWFLSA-N 0 3 386.456 0.610 20 0 GCADHN O=C(C1CCOCC1)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571278689 945757806 /nfs/dbraw/zinc/75/78/06/945757806.db2.gz QZEDIGZENDAFLL-QGZVFWFLSA-N 0 3 386.456 0.610 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[NH+]1CCCC1 ZINC001571278939 945765124 /nfs/dbraw/zinc/76/51/24/945765124.db2.gz SBDKGNNEDQLEGC-GFCCVEGCSA-N 0 3 386.460 0.400 20 0 GCADHN O=C([C@H]1COCCO1)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571278957 945765751 /nfs/dbraw/zinc/76/57/51/945765751.db2.gz SQKYYTWXHHXDEN-DLBZAZTESA-N 0 3 386.456 0.753 20 0 GCADHN O=C([C@H]1COCCO1)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571278957 945765756 /nfs/dbraw/zinc/76/57/56/945765756.db2.gz SQKYYTWXHHXDEN-DLBZAZTESA-N 0 3 386.456 0.753 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573447847 945804018 /nfs/dbraw/zinc/80/40/18/945804018.db2.gz DVPKELKXCNCKTL-BDJLRTHQSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573447847 945804031 /nfs/dbraw/zinc/80/40/31/945804031.db2.gz DVPKELKXCNCKTL-BDJLRTHQSA-N 0 3 389.435 0.611 20 0 GCADHN CN(C(=O)C1CC[NH+](C)CC1)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571282592 945850892 /nfs/dbraw/zinc/85/08/92/945850892.db2.gz LPPTXJCCEHSIBX-UHFFFAOYSA-N 0 3 387.463 0.990 20 0 GCADHN CC(C)[C@@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)[NH+](C)C ZINC001571284246 945899149 /nfs/dbraw/zinc/89/91/49/945899149.db2.gz OCLXEKBIAFHLKO-HIFRSBDPSA-N 0 3 387.492 0.892 20 0 GCADHN CCc1nc(N[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571284352 945899243 /nfs/dbraw/zinc/89/92/43/945899243.db2.gz ODMUBFFWVJPACS-TZMCWYRMSA-N 0 3 387.492 0.962 20 0 GCADHN Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571284367 945900059 /nfs/dbraw/zinc/90/00/59/945900059.db2.gz OIWVVTDOHVDZEE-UKRRQHHQSA-N 0 3 387.492 0.954 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573457050 945902531 /nfs/dbraw/zinc/90/25/31/945902531.db2.gz SUCANZZSWZLMSA-LLVKDONJSA-N 0 3 391.451 0.857 20 0 GCADHN CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)[C@H](CC)[NH+](C)C)CC2)n1 ZINC001571284627 945903448 /nfs/dbraw/zinc/90/34/48/945903448.db2.gz RRUCCENYHWPTQU-AWEZNQCLSA-N 0 3 387.492 0.598 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573461590 945922838 /nfs/dbraw/zinc/92/28/38/945922838.db2.gz PTUIRXKDQXVUAA-GHMZBOCLSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573461590 945922841 /nfs/dbraw/zinc/92/28/41/945922841.db2.gz PTUIRXKDQXVUAA-GHMZBOCLSA-N 0 3 391.451 0.903 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[N@H+](Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573465369 945973474 /nfs/dbraw/zinc/97/34/74/945973474.db2.gz YJFQNQWCLFCVGV-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NCC[N@@H+](Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573465369 945973480 /nfs/dbraw/zinc/97/34/80/945973480.db2.gz YJFQNQWCLFCVGV-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573465321 945973564 /nfs/dbraw/zinc/97/35/64/945973564.db2.gz YBNRPRXIEKTSLB-FZNQNYSPSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573465321 945973572 /nfs/dbraw/zinc/97/35/72/945973572.db2.gz YBNRPRXIEKTSLB-FZNQNYSPSA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001573467423 945979731 /nfs/dbraw/zinc/97/97/31/945979731.db2.gz DPKTZKRUUINRIP-PXAZEXFGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001573467423 945979736 /nfs/dbraw/zinc/97/97/36/945979736.db2.gz DPKTZKRUUINRIP-PXAZEXFGSA-N 0 3 385.472 0.718 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467422 945979756 /nfs/dbraw/zinc/97/97/56/945979756.db2.gz DNDCVGHFPOZKNY-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467422 945979759 /nfs/dbraw/zinc/97/97/59/945979759.db2.gz DNDCVGHFPOZKNY-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467429 945981400 /nfs/dbraw/zinc/98/14/00/945981400.db2.gz DRHNLFJKHTXSPS-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467429 945981408 /nfs/dbraw/zinc/98/14/08/945981408.db2.gz DRHNLFJKHTXSPS-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573468595 945998012 /nfs/dbraw/zinc/99/80/12/945998012.db2.gz PUEBROGXXIKWKQ-HDJSIYSDSA-N 0 3 389.435 0.657 20 0 GCADHN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573468595 945998021 /nfs/dbraw/zinc/99/80/21/945998021.db2.gz PUEBROGXXIKWKQ-HDJSIYSDSA-N 0 3 389.435 0.657 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573468863 945999887 /nfs/dbraw/zinc/99/98/87/945999887.db2.gz QYKQEVZQCYZQAU-GWMXKSKGSA-N 0 3 389.435 0.609 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573468863 945999894 /nfs/dbraw/zinc/99/98/94/945999894.db2.gz QYKQEVZQCYZQAU-GWMXKSKGSA-N 0 3 389.435 0.609 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573470000 946014020 /nfs/dbraw/zinc/01/40/20/946014020.db2.gz ARTGETLYCHMPML-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573470000 946014031 /nfs/dbraw/zinc/01/40/31/946014031.db2.gz ARTGETLYCHMPML-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573470000 946014040 /nfs/dbraw/zinc/01/40/40/946014040.db2.gz ARTGETLYCHMPML-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573470000 946014050 /nfs/dbraw/zinc/01/40/50/946014050.db2.gz ARTGETLYCHMPML-CZUORRHYSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573470312 946019151 /nfs/dbraw/zinc/01/91/51/946019151.db2.gz CQVNBBKJVBXCHX-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573470312 946019164 /nfs/dbraw/zinc/01/91/64/946019164.db2.gz CQVNBBKJVBXCHX-CJNGLKHVSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573470316 946019961 /nfs/dbraw/zinc/01/99/61/946019961.db2.gz CTPQDKZTYBLCFE-ZDUSSCGKSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573470316 946019970 /nfs/dbraw/zinc/01/99/70/946019970.db2.gz CTPQDKZTYBLCFE-ZDUSSCGKSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573470315 946020524 /nfs/dbraw/zinc/02/05/24/946020524.db2.gz CTPQDKZTYBLCFE-CYBMUJFWSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573470315 946020534 /nfs/dbraw/zinc/02/05/34/946020534.db2.gz CTPQDKZTYBLCFE-CYBMUJFWSA-N 0 3 383.456 0.426 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571289867 946020809 /nfs/dbraw/zinc/02/08/09/946020809.db2.gz OLSUWGLUMUIBCN-TUKIKUTGSA-N 0 3 388.451 0.826 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571289867 946020816 /nfs/dbraw/zinc/02/08/16/946020816.db2.gz OLSUWGLUMUIBCN-TUKIKUTGSA-N 0 3 388.451 0.826 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571289867 946020820 /nfs/dbraw/zinc/02/08/20/946020820.db2.gz OLSUWGLUMUIBCN-TUKIKUTGSA-N 0 3 388.451 0.826 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571289867 946020829 /nfs/dbraw/zinc/02/08/29/946020829.db2.gz OLSUWGLUMUIBCN-TUKIKUTGSA-N 0 3 388.451 0.826 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470378 946022898 /nfs/dbraw/zinc/02/28/98/946022898.db2.gz DJKVSMYSCARDHO-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470378 946022910 /nfs/dbraw/zinc/02/29/10/946022910.db2.gz DJKVSMYSCARDHO-IAQYHMDHSA-N 0 3 389.435 0.563 20 0 GCADHN CC(C)(O)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571289927 946022904 /nfs/dbraw/zinc/02/29/04/946022904.db2.gz QAMKPBZQGVGJIC-INIZCTEOSA-N 0 3 388.472 0.735 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573470911 946041453 /nfs/dbraw/zinc/04/14/53/946041453.db2.gz KYZLVSKNXZPRTP-FZMZJTMJSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573470911 946041461 /nfs/dbraw/zinc/04/14/61/946041461.db2.gz KYZLVSKNXZPRTP-FZMZJTMJSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573471682 946055534 /nfs/dbraw/zinc/05/55/34/946055534.db2.gz QFZRTXVYYLRMFX-FZMZJTMJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573472370 946064963 /nfs/dbraw/zinc/06/49/63/946064963.db2.gz VURWWJHKPDONKU-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573472370 946064975 /nfs/dbraw/zinc/06/49/75/946064975.db2.gz VURWWJHKPDONKU-LLVKDONJSA-N 0 3 389.435 0.611 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CCC[C@@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001571291082 946065576 /nfs/dbraw/zinc/06/55/76/946065576.db2.gz ANEWIXHNKSXISU-OCCSQVGLSA-N 0 3 389.391 0.195 20 0 GCADHN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571291186 946071838 /nfs/dbraw/zinc/07/18/38/946071838.db2.gz FRRNMKDKNGSWHZ-SMDDNHRTSA-N 0 3 389.391 0.147 20 0 GCADHN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571291186 946071850 /nfs/dbraw/zinc/07/18/50/946071850.db2.gz FRRNMKDKNGSWHZ-SMDDNHRTSA-N 0 3 389.391 0.147 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001573474784 946093590 /nfs/dbraw/zinc/09/35/90/946093590.db2.gz NGEUQQNVAASUQX-AFAVFJNCSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001573474784 946093601 /nfs/dbraw/zinc/09/36/01/946093601.db2.gz NGEUQQNVAASUQX-AFAVFJNCSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C1 ZINC001573474784 946093614 /nfs/dbraw/zinc/09/36/14/946093614.db2.gz NGEUQQNVAASUQX-AFAVFJNCSA-N 0 3 383.456 0.282 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C1 ZINC001573474784 946093624 /nfs/dbraw/zinc/09/36/24/946093624.db2.gz NGEUQQNVAASUQX-AFAVFJNCSA-N 0 3 383.456 0.282 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571292389 946094550 /nfs/dbraw/zinc/09/45/50/946094550.db2.gz YSMGGCPZWPEGMH-OCCSQVGLSA-N 0 3 389.391 0.195 20 0 GCADHN O=C([C@@H]1COC(=O)N1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571292389 946094561 /nfs/dbraw/zinc/09/45/61/946094561.db2.gz YSMGGCPZWPEGMH-OCCSQVGLSA-N 0 3 389.391 0.195 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571292391 946095750 /nfs/dbraw/zinc/09/57/50/946095750.db2.gz YSMGGCPZWPEGMH-TZMCWYRMSA-N 0 3 389.391 0.195 20 0 GCADHN O=C([C@H]1COC(=O)N1)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571292391 946095762 /nfs/dbraw/zinc/09/57/62/946095762.db2.gz YSMGGCPZWPEGMH-TZMCWYRMSA-N 0 3 389.391 0.195 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573476104 946111490 /nfs/dbraw/zinc/11/14/90/946111490.db2.gz ZCLRVHVTXQMUEL-XJKCOSOUSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573476104 946111499 /nfs/dbraw/zinc/11/14/99/946111499.db2.gz ZCLRVHVTXQMUEL-XJKCOSOUSA-N 0 3 385.472 0.575 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001573476199 946115941 /nfs/dbraw/zinc/11/59/41/946115941.db2.gz DKBFIEMURBWCEC-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001573476199 946115944 /nfs/dbraw/zinc/11/59/44/946115944.db2.gz DKBFIEMURBWCEC-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573476839 946125506 /nfs/dbraw/zinc/12/55/06/946125506.db2.gz JQFMUDABHKHEBF-AXOLYNHLSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573476839 946125513 /nfs/dbraw/zinc/12/55/13/946125513.db2.gz JQFMUDABHKHEBF-AXOLYNHLSA-N 0 3 385.472 0.908 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573477040 946128285 /nfs/dbraw/zinc/12/82/85/946128285.db2.gz LOACNRMEBOTHOW-WDEREUQCSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573477040 946128288 /nfs/dbraw/zinc/12/82/88/946128288.db2.gz LOACNRMEBOTHOW-WDEREUQCSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477099 946129339 /nfs/dbraw/zinc/12/93/39/946129339.db2.gz MRQIEIMZNCECLJ-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477099 946129346 /nfs/dbraw/zinc/12/93/46/946129346.db2.gz MRQIEIMZNCECLJ-QWRGUYRKSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477100 946129770 /nfs/dbraw/zinc/12/97/70/946129770.db2.gz MRQIEIMZNCECLJ-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477100 946129776 /nfs/dbraw/zinc/12/97/76/946129776.db2.gz MRQIEIMZNCECLJ-WDEREUQCSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573477288 946131972 /nfs/dbraw/zinc/13/19/72/946131972.db2.gz NYKBWHJVMCNHCJ-WDEREUQCSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573477288 946131980 /nfs/dbraw/zinc/13/19/80/946131980.db2.gz NYKBWHJVMCNHCJ-WDEREUQCSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573477274 946132778 /nfs/dbraw/zinc/13/27/78/946132778.db2.gz NUFVGUJBSUIKHK-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573477274 946132783 /nfs/dbraw/zinc/13/27/83/946132783.db2.gz NUFVGUJBSUIKHK-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573479350 946155964 /nfs/dbraw/zinc/15/59/64/946155964.db2.gz BWYFSVLZCQREHN-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573479350 946155972 /nfs/dbraw/zinc/15/59/72/946155972.db2.gz BWYFSVLZCQREHN-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573479350 946155977 /nfs/dbraw/zinc/15/59/77/946155977.db2.gz BWYFSVLZCQREHN-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573479350 946155985 /nfs/dbraw/zinc/15/59/85/946155985.db2.gz BWYFSVLZCQREHN-BBRMVZONSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573481381 946181758 /nfs/dbraw/zinc/18/17/58/946181758.db2.gz ORMVUFWJRPNMGU-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573481381 946181761 /nfs/dbraw/zinc/18/17/61/946181761.db2.gz ORMVUFWJRPNMGU-CYBMUJFWSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573481854 946187088 /nfs/dbraw/zinc/18/70/88/946187088.db2.gz SCGNWHUBILSTCI-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573481854 946187095 /nfs/dbraw/zinc/18/70/95/946187095.db2.gz SCGNWHUBILSTCI-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482028 946189430 /nfs/dbraw/zinc/18/94/30/946189430.db2.gz SZLSEMRDLZCUCD-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482028 946189440 /nfs/dbraw/zinc/18/94/40/946189440.db2.gz SZLSEMRDLZCUCD-SMDDNHRTSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](NCc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC001573482266 946194108 /nfs/dbraw/zinc/19/41/08/946194108.db2.gz VVPJSWSOGAEKFN-QLJPJBMISA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC[N@H+](Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573483326 946206427 /nfs/dbraw/zinc/20/64/27/946206427.db2.gz DLGYJRWKAGEJDX-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC[N@@H+](Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001573483326 946206439 /nfs/dbraw/zinc/20/64/39/946206439.db2.gz DLGYJRWKAGEJDX-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC[N@H+](Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573483326 946206456 /nfs/dbraw/zinc/20/64/56/946206456.db2.gz DLGYJRWKAGEJDX-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)NCCC[N@@H+](Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001573483326 946206467 /nfs/dbraw/zinc/20/64/67/946206467.db2.gz DLGYJRWKAGEJDX-ZDUSSCGKSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573483382 946209822 /nfs/dbraw/zinc/20/98/22/946209822.db2.gz FMVWRFOSPCMLKS-HCKVZZMMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573483382 946209828 /nfs/dbraw/zinc/20/98/28/946209828.db2.gz FMVWRFOSPCMLKS-HCKVZZMMSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573484522 946218534 /nfs/dbraw/zinc/21/85/34/946218534.db2.gz MHGXRWSXYLWDHV-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573484522 946218545 /nfs/dbraw/zinc/21/85/45/946218545.db2.gz MHGXRWSXYLWDHV-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573484522 946218556 /nfs/dbraw/zinc/21/85/56/946218556.db2.gz MHGXRWSXYLWDHV-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573484522 946218566 /nfs/dbraw/zinc/21/85/66/946218566.db2.gz MHGXRWSXYLWDHV-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573486098 946237170 /nfs/dbraw/zinc/23/71/70/946237170.db2.gz CKWDPYXBYCENBP-LERXQTSPSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573486098 946237181 /nfs/dbraw/zinc/23/71/81/946237181.db2.gz CKWDPYXBYCENBP-LERXQTSPSA-N 0 3 389.435 0.515 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573486676 946244201 /nfs/dbraw/zinc/24/42/01/946244201.db2.gz IGNFLGLDTGHWHG-QCZZGDTMSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573486676 946244210 /nfs/dbraw/zinc/24/42/10/946244210.db2.gz IGNFLGLDTGHWHG-QCZZGDTMSA-N 0 3 375.408 0.267 20 0 GCADHN CC(=O)NC1(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001573488625 946273082 /nfs/dbraw/zinc/27/30/82/946273082.db2.gz GEZVRBDOGKZHTC-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001573488625 946273092 /nfs/dbraw/zinc/27/30/92/946273092.db2.gz GEZVRBDOGKZHTC-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NC1(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573489004 946282883 /nfs/dbraw/zinc/28/28/83/946282883.db2.gz UCDNYCVVLUBROB-ZDUSSCGKSA-N 0 3 385.472 0.910 20 0 GCADHN CC(=O)NCC(=O)N(C)C1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573496797 946331502 /nfs/dbraw/zinc/33/15/02/946331502.db2.gz DBPSLUUCQMTEDX-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N(C)C1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573496797 946331514 /nfs/dbraw/zinc/33/15/14/946331514.db2.gz DBPSLUUCQMTEDX-UHFFFAOYSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573498899 946362528 /nfs/dbraw/zinc/36/25/28/946362528.db2.gz AJUOUCCRQIFCPD-IAQYHMDHSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573498899 946362539 /nfs/dbraw/zinc/36/25/39/946362539.db2.gz AJUOUCCRQIFCPD-IAQYHMDHSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001573501584 946381399 /nfs/dbraw/zinc/38/13/99/946381399.db2.gz RMJIFOJNDFERLW-KRWDZBQOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N(C)CC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001573501584 946381408 /nfs/dbraw/zinc/38/14/08/946381408.db2.gz RMJIFOJNDFERLW-KRWDZBQOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573501963 946383305 /nfs/dbraw/zinc/38/33/05/946383305.db2.gz TTZMGPABZTYIHJ-BMIGLBTASA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573501963 946383316 /nfs/dbraw/zinc/38/33/16/946383316.db2.gz TTZMGPABZTYIHJ-BMIGLBTASA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573501969 946385710 /nfs/dbraw/zinc/38/57/10/946385710.db2.gz TTZMGPABZTYIHJ-MEBBXXQBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573501969 946385718 /nfs/dbraw/zinc/38/57/18/946385718.db2.gz TTZMGPABZTYIHJ-MEBBXXQBSA-N 0 3 375.408 0.078 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573503681 946395818 /nfs/dbraw/zinc/39/58/18/946395818.db2.gz BWFZQXXWKCAPHW-ABAIWWIYSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573503681 946395825 /nfs/dbraw/zinc/39/58/25/946395825.db2.gz BWFZQXXWKCAPHW-ABAIWWIYSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573504211 946409014 /nfs/dbraw/zinc/40/90/14/946409014.db2.gz HINDRZAZMHAQJO-MEDUHNTESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573504211 946409020 /nfs/dbraw/zinc/40/90/20/946409020.db2.gz HINDRZAZMHAQJO-MEDUHNTESA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573505583 946421014 /nfs/dbraw/zinc/42/10/14/946421014.db2.gz LADGNAGKFQONBI-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573505583 946421020 /nfs/dbraw/zinc/42/10/20/946421020.db2.gz LADGNAGKFQONBI-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573505583 946421025 /nfs/dbraw/zinc/42/10/25/946421025.db2.gz LADGNAGKFQONBI-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573505583 946421029 /nfs/dbraw/zinc/42/10/29/946421029.db2.gz LADGNAGKFQONBI-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573505602 946421795 /nfs/dbraw/zinc/42/17/95/946421795.db2.gz LTYKEIOAWQGJND-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573505602 946421800 /nfs/dbraw/zinc/42/18/00/946421800.db2.gz LTYKEIOAWQGJND-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505657 946423974 /nfs/dbraw/zinc/42/39/74/946423974.db2.gz MQEPIYCHNXYYER-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505657 946423976 /nfs/dbraw/zinc/42/39/76/946423976.db2.gz MQEPIYCHNXYYER-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505657 946423980 /nfs/dbraw/zinc/42/39/80/946423980.db2.gz MQEPIYCHNXYYER-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505657 946423985 /nfs/dbraw/zinc/42/39/85/946423985.db2.gz MQEPIYCHNXYYER-DLBZAZTESA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573505936 946426692 /nfs/dbraw/zinc/42/66/92/946426692.db2.gz PNLKKPRHNQTILV-GUYCJALGSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573505936 946426696 /nfs/dbraw/zinc/42/66/96/946426696.db2.gz PNLKKPRHNQTILV-GUYCJALGSA-N 0 3 385.472 0.577 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506041 946427781 /nfs/dbraw/zinc/42/77/81/946427781.db2.gz OISHBKWSIICQHX-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506041 946427787 /nfs/dbraw/zinc/42/77/87/946427787.db2.gz OISHBKWSIICQHX-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573505992 946428029 /nfs/dbraw/zinc/42/80/29/946428029.db2.gz NGYVDLNOZHINRO-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573505992 946428031 /nfs/dbraw/zinc/42/80/31/946428031.db2.gz NGYVDLNOZHINRO-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573505992 946428033 /nfs/dbraw/zinc/42/80/33/946428033.db2.gz NGYVDLNOZHINRO-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573505992 946428034 /nfs/dbraw/zinc/42/80/34/946428034.db2.gz NGYVDLNOZHINRO-DLBZAZTESA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573506703 946436725 /nfs/dbraw/zinc/43/67/25/946436725.db2.gz RXANXOQGSRLBJI-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573506703 946436727 /nfs/dbraw/zinc/43/67/27/946436727.db2.gz RXANXOQGSRLBJI-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573506703 946436730 /nfs/dbraw/zinc/43/67/30/946436730.db2.gz RXANXOQGSRLBJI-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573506703 946436733 /nfs/dbraw/zinc/43/67/33/946436733.db2.gz RXANXOQGSRLBJI-IBGZPJMESA-N 0 3 383.456 0.427 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@H]1C ZINC001573506832 946438559 /nfs/dbraw/zinc/43/85/59/946438559.db2.gz UOIFZBOJRLMSPL-BMIGLBTASA-N 0 3 375.408 0.221 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506983 946440908 /nfs/dbraw/zinc/44/09/08/946440908.db2.gz UHZFVSFXCLZABN-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573506983 946440913 /nfs/dbraw/zinc/44/09/13/946440913.db2.gz UHZFVSFXCLZABN-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506983 946440917 /nfs/dbraw/zinc/44/09/17/946440917.db2.gz UHZFVSFXCLZABN-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573506983 946440924 /nfs/dbraw/zinc/44/09/24/946440924.db2.gz UHZFVSFXCLZABN-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)NCC(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573507078 946441145 /nfs/dbraw/zinc/44/11/45/946441145.db2.gz WNMZWCFALMEYAN-UHFFFAOYSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573507078 946441154 /nfs/dbraw/zinc/44/11/54/946441154.db2.gz WNMZWCFALMEYAN-UHFFFAOYSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)[C@H](C)C1 ZINC001573507091 946442571 /nfs/dbraw/zinc/44/25/71/946442571.db2.gz WOLMUNQNUSFXRH-BZNIZROVSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)[C@H](C)C1 ZINC001573507091 946442580 /nfs/dbraw/zinc/44/25/80/946442580.db2.gz WOLMUNQNUSFXRH-BZNIZROVSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)[C@@H](C)C1 ZINC001573507096 946443112 /nfs/dbraw/zinc/44/31/12/946443112.db2.gz WOLMUNQNUSFXRH-ZBEGNZNMSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)[C@@H](C)C1 ZINC001573507096 946443121 /nfs/dbraw/zinc/44/31/21/946443121.db2.gz WOLMUNQNUSFXRH-ZBEGNZNMSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573507402 946446148 /nfs/dbraw/zinc/44/61/48/946446148.db2.gz XSQSTUAUDFMKLW-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573507402 946446152 /nfs/dbraw/zinc/44/61/52/946446152.db2.gz XSQSTUAUDFMKLW-BXUZGUMPSA-N 0 3 389.435 0.611 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573507524 946447190 /nfs/dbraw/zinc/44/71/90/946447190.db2.gz YVCZLFCHCDTGFR-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573507524 946447200 /nfs/dbraw/zinc/44/72/00/946447200.db2.gz YVCZLFCHCDTGFR-ABAIWWIYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573507592 946447217 /nfs/dbraw/zinc/44/72/17/946447217.db2.gz ZQNOTQPKKZINSE-GFCCVEGCSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573507592 946447223 /nfs/dbraw/zinc/44/72/23/946447223.db2.gz ZQNOTQPKKZINSE-GFCCVEGCSA-N 0 3 375.408 0.080 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573508066 946452152 /nfs/dbraw/zinc/45/21/52/946452152.db2.gz XZVVVMYTJMHCSZ-CYBMUJFWSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573508066 946452156 /nfs/dbraw/zinc/45/21/56/946452156.db2.gz XZVVVMYTJMHCSZ-CYBMUJFWSA-N 0 3 375.408 0.223 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573508086 946452534 /nfs/dbraw/zinc/45/25/34/946452534.db2.gz YBSKKFYJAAUMOM-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573508086 946452541 /nfs/dbraw/zinc/45/25/41/946452541.db2.gz YBSKKFYJAAUMOM-GUYCJALGSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573509766 946466643 /nfs/dbraw/zinc/46/66/43/946466643.db2.gz QIYJLSUDMUUDAP-MRXNPFEDSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573509766 946466646 /nfs/dbraw/zinc/46/66/46/946466646.db2.gz QIYJLSUDMUUDAP-MRXNPFEDSA-N 0 3 385.472 0.864 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573510171 946471338 /nfs/dbraw/zinc/47/13/38/946471338.db2.gz ATZQHCLSKGDHKB-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573510171 946471346 /nfs/dbraw/zinc/47/13/46/946471346.db2.gz ATZQHCLSKGDHKB-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573510171 946471350 /nfs/dbraw/zinc/47/13/50/946471350.db2.gz ATZQHCLSKGDHKB-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573510171 946471356 /nfs/dbraw/zinc/47/13/56/946471356.db2.gz ATZQHCLSKGDHKB-UKRRQHHQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573510283 946475934 /nfs/dbraw/zinc/47/59/34/946475934.db2.gz DJIBXCUQSHBZSK-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573510283 946475940 /nfs/dbraw/zinc/47/59/40/946475940.db2.gz DJIBXCUQSHBZSK-MNOVXSKESA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573510866 946481980 /nfs/dbraw/zinc/48/19/80/946481980.db2.gz LRLBOXUATJHYEG-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573510866 946481985 /nfs/dbraw/zinc/48/19/85/946481985.db2.gz LRLBOXUATJHYEG-GHMZBOCLSA-N 0 3 377.424 0.515 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573511963 946491121 /nfs/dbraw/zinc/49/11/21/946491121.db2.gz CJXZORMAIBCJCD-XJKSGUPXSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573511963 946491129 /nfs/dbraw/zinc/49/11/29/946491129.db2.gz CJXZORMAIBCJCD-XJKSGUPXSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573512207 946495112 /nfs/dbraw/zinc/49/51/12/946495112.db2.gz WDYHOZUZQJKDCF-SFHVURJKSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001573512207 946495117 /nfs/dbraw/zinc/49/51/17/946495117.db2.gz WDYHOZUZQJKDCF-SFHVURJKSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573512801 946504749 /nfs/dbraw/zinc/50/47/49/946504749.db2.gz HZJSSFAVVWEGBS-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573512801 946504756 /nfs/dbraw/zinc/50/47/56/946504756.db2.gz HZJSSFAVVWEGBS-UHFFFAOYSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573513349 946510425 /nfs/dbraw/zinc/51/04/25/946510425.db2.gz MUXRFEZJFCFVBM-BBRMVZONSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573513349 946510435 /nfs/dbraw/zinc/51/04/35/946510435.db2.gz MUXRFEZJFCFVBM-BBRMVZONSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573513353 946511258 /nfs/dbraw/zinc/51/12/58/946511258.db2.gz MUXRFEZJFCFVBM-XJKSGUPXSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573513353 946511268 /nfs/dbraw/zinc/51/12/68/946511268.db2.gz MUXRFEZJFCFVBM-XJKSGUPXSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573513432 946513868 /nfs/dbraw/zinc/51/38/68/946513868.db2.gz NHLXBEBBEWHJGI-JSGCOSHPSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573513432 946513882 /nfs/dbraw/zinc/51/38/82/946513882.db2.gz NHLXBEBBEWHJGI-JSGCOSHPSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001573514113 946518047 /nfs/dbraw/zinc/51/80/47/946518047.db2.gz SDNCAJHQHWRZBR-UHFFFAOYSA-N 0 3 385.472 0.912 20 0 GCADHN CC(=O)NCC(=O)NC1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001573514113 946518060 /nfs/dbraw/zinc/51/80/60/946518060.db2.gz SDNCAJHQHWRZBR-UHFFFAOYSA-N 0 3 385.472 0.912 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573514296 946525119 /nfs/dbraw/zinc/52/51/19/946525119.db2.gz WUCLPBLPZVJUMT-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573514296 946525128 /nfs/dbraw/zinc/52/51/28/946525128.db2.gz WUCLPBLPZVJUMT-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573514296 946525137 /nfs/dbraw/zinc/52/51/37/946525137.db2.gz WUCLPBLPZVJUMT-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573514296 946525151 /nfs/dbraw/zinc/52/51/51/946525151.db2.gz WUCLPBLPZVJUMT-LPHOPBHVSA-N 0 3 383.456 0.616 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573514288 946525168 /nfs/dbraw/zinc/52/51/68/946525168.db2.gz WSHNPNJBXGGJSW-LRDDRELGSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573514288 946525178 /nfs/dbraw/zinc/52/51/78/946525178.db2.gz WSHNPNJBXGGJSW-LRDDRELGSA-N 0 3 389.435 0.516 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)CC1(C)C ZINC001573515456 946546211 /nfs/dbraw/zinc/54/62/11/946546211.db2.gz MPJKPVWDVZVNQC-INIZCTEOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)CC1(C)C ZINC001573515456 946546214 /nfs/dbraw/zinc/54/62/14/946546214.db2.gz MPJKPVWDVZVNQC-INIZCTEOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)CC1(C)C ZINC001573515456 946546218 /nfs/dbraw/zinc/54/62/18/946546218.db2.gz MPJKPVWDVZVNQC-INIZCTEOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)CC1(C)C ZINC001573515456 946546223 /nfs/dbraw/zinc/54/62/23/946546223.db2.gz MPJKPVWDVZVNQC-INIZCTEOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573516021 946556183 /nfs/dbraw/zinc/55/61/83/946556183.db2.gz UMOZSXKABTVULO-OAHLLOKOSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001573516021 946556194 /nfs/dbraw/zinc/55/61/94/946556194.db2.gz UMOZSXKABTVULO-OAHLLOKOSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCC1 ZINC001573517723 946580048 /nfs/dbraw/zinc/58/00/48/946580048.db2.gz QBVAMJOJQBABJK-UHFFFAOYSA-N 0 3 375.408 0.270 20 0 GCADHN Cn1cc(CC(=O)N2CC3(C2)CC[N@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)cn1 ZINC001571316669 946584289 /nfs/dbraw/zinc/58/42/89/946584289.db2.gz JNFAHLAVDIHXAP-UHFFFAOYSA-N 0 3 392.467 0.877 20 0 GCADHN Cn1cc(CC(=O)N2CC3(C2)CC[N@@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)cn1 ZINC001571316669 946584294 /nfs/dbraw/zinc/58/42/94/946584294.db2.gz JNFAHLAVDIHXAP-UHFFFAOYSA-N 0 3 392.467 0.877 20 0 GCADHN CC(=O)NCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573518317 946586303 /nfs/dbraw/zinc/58/63/03/946586303.db2.gz YSOOUZKHCJBPDX-LJQANCHMSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573518317 946586312 /nfs/dbraw/zinc/58/63/12/946586312.db2.gz YSOOUZKHCJBPDX-LJQANCHMSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573520015 946589008 /nfs/dbraw/zinc/58/90/08/946589008.db2.gz ABARUEXMJUPXKM-MRXNPFEDSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573520015 946589016 /nfs/dbraw/zinc/58/90/16/946589016.db2.gz ABARUEXMJUPXKM-MRXNPFEDSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573520624 946600707 /nfs/dbraw/zinc/60/07/07/946600707.db2.gz MPMVFAMHSBTLAG-MRXNPFEDSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)NCC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001573520624 946600713 /nfs/dbraw/zinc/60/07/13/946600713.db2.gz MPMVFAMHSBTLAG-MRXNPFEDSA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573521148 946603525 /nfs/dbraw/zinc/60/35/25/946603525.db2.gz SKOOUAJFCIKZBW-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573521148 946603537 /nfs/dbraw/zinc/60/35/37/946603537.db2.gz SKOOUAJFCIKZBW-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573521148 946603542 /nfs/dbraw/zinc/60/35/42/946603542.db2.gz SKOOUAJFCIKZBW-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573521148 946603550 /nfs/dbraw/zinc/60/35/50/946603550.db2.gz SKOOUAJFCIKZBW-BXUZGUMPSA-N 0 3 389.435 0.326 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573521695 946611901 /nfs/dbraw/zinc/61/19/01/946611901.db2.gz ARFJANKISVYNFM-YEORSEQZSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573521866 946616125 /nfs/dbraw/zinc/61/61/25/946616125.db2.gz MAADOVATPUGBQM-YEORSEQZSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573521866 946616131 /nfs/dbraw/zinc/61/61/31/946616131.db2.gz MAADOVATPUGBQM-YEORSEQZSA-N 0 3 375.408 0.126 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573521939 946618626 /nfs/dbraw/zinc/61/86/26/946618626.db2.gz PQCUGSOJACSIKG-KOMQPUFPSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573521939 946618630 /nfs/dbraw/zinc/61/86/30/946618630.db2.gz PQCUGSOJACSIKG-KOMQPUFPSA-N 0 3 385.472 0.767 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573527987 946652610 /nfs/dbraw/zinc/65/26/10/946652610.db2.gz OMXBKBHDLKQQAK-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573527987 946652617 /nfs/dbraw/zinc/65/26/17/946652617.db2.gz OMXBKBHDLKQQAK-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573528026 946654118 /nfs/dbraw/zinc/65/41/18/946654118.db2.gz PQTNHCDBMMTSSD-WKILWMFISA-N 0 3 385.472 0.766 20 0 GCADHN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573528026 946654124 /nfs/dbraw/zinc/65/41/24/946654124.db2.gz PQTNHCDBMMTSSD-WKILWMFISA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](CS(C)(=O)=O)[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824448155 946711763 /nfs/dbraw/zinc/71/17/63/946711763.db2.gz GIEXOTCBRHMUCH-ZDUSSCGKSA-N 0 3 378.502 0.854 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573535694 946724495 /nfs/dbraw/zinc/72/44/95/946724495.db2.gz GPRKWEHOIKLUOB-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573535694 946724509 /nfs/dbraw/zinc/72/45/09/946724509.db2.gz GPRKWEHOIKLUOB-BDJLRTHQSA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C(C)C ZINC001573535931 946726365 /nfs/dbraw/zinc/72/63/65/946726365.db2.gz LHZYXKGEQPNUDH-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C(C)C ZINC001573535931 946726375 /nfs/dbraw/zinc/72/63/75/946726375.db2.gz LHZYXKGEQPNUDH-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573536391 946735528 /nfs/dbraw/zinc/73/55/28/946735528.db2.gz VPIXQCGFYQAKBY-OAHLLOKOSA-N 0 3 377.424 0.372 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001573536375 946735906 /nfs/dbraw/zinc/73/59/06/946735906.db2.gz UUCCHRVYYMIKKB-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001573536375 946735913 /nfs/dbraw/zinc/73/59/13/946735913.db2.gz UUCCHRVYYMIKKB-MEDUHNTESA-N 0 3 391.451 0.761 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573536532 946738940 /nfs/dbraw/zinc/73/89/40/946738940.db2.gz XGDDTXIELFYMPR-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573536532 946738951 /nfs/dbraw/zinc/73/89/51/946738951.db2.gz XGDDTXIELFYMPR-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573536532 946738959 /nfs/dbraw/zinc/73/89/59/946738959.db2.gz XGDDTXIELFYMPR-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC001573536532 946738966 /nfs/dbraw/zinc/73/89/66/946738966.db2.gz XGDDTXIELFYMPR-SUMWQHHRSA-N 0 3 387.488 0.964 20 0 GCADHN CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)C(C)C ZINC001573537085 946742465 /nfs/dbraw/zinc/74/24/65/946742465.db2.gz GSOSVKDVDITLPB-IAGOWNOFSA-N 0 3 385.472 0.718 20 0 GCADHN C[C@H](C(=O)N(C)C)[NH+]1CCC(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573592533 947338322 /nfs/dbraw/zinc/33/83/22/947338322.db2.gz DOYTUJAZUYLNMZ-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[NH+](C)CCn1cc(NC(=O)COc2ccccc2-c2nnn[n-]2)ccc1=O ZINC000825870564 947352591 /nfs/dbraw/zinc/35/25/91/947352591.db2.gz RRMZYCSBDGNOTB-UHFFFAOYSA-N 0 3 383.412 0.608 20 0 GCADHN C[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573593582 947373060 /nfs/dbraw/zinc/37/30/60/947373060.db2.gz KSJRMXGWQRPTDY-VCANKDNSSA-N 0 3 392.485 0.379 20 0 GCADHN C[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573593582 947373071 /nfs/dbraw/zinc/37/30/71/947373071.db2.gz KSJRMXGWQRPTDY-VCANKDNSSA-N 0 3 392.485 0.379 20 0 GCADHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826028453 947406275 /nfs/dbraw/zinc/40/62/75/947406275.db2.gz ANHGPUUCHVICDS-UKRRQHHQSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826028453 947406280 /nfs/dbraw/zinc/40/62/80/947406280.db2.gz ANHGPUUCHVICDS-UKRRQHHQSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826028453 947406286 /nfs/dbraw/zinc/40/62/86/947406286.db2.gz ANHGPUUCHVICDS-UKRRQHHQSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826028453 947406291 /nfs/dbraw/zinc/40/62/91/947406291.db2.gz ANHGPUUCHVICDS-UKRRQHHQSA-N 0 3 385.476 0.799 20 0 GCADHN C[N@H+]1CC=C(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000826018413 947406370 /nfs/dbraw/zinc/40/63/70/947406370.db2.gz YHOJNMSZLMPGJZ-UHFFFAOYSA-N 0 3 379.428 0.626 20 0 GCADHN C[N@@H+]1CC=C(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000826018413 947406379 /nfs/dbraw/zinc/40/63/79/947406379.db2.gz YHOJNMSZLMPGJZ-UHFFFAOYSA-N 0 3 379.428 0.626 20 0 GCADHN C[N@H+]1CC=C(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000826018413 947406384 /nfs/dbraw/zinc/40/63/84/947406384.db2.gz YHOJNMSZLMPGJZ-UHFFFAOYSA-N 0 3 379.428 0.626 20 0 GCADHN C[N@@H+]1CC=C(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000826018413 947406390 /nfs/dbraw/zinc/40/63/90/947406390.db2.gz YHOJNMSZLMPGJZ-UHFFFAOYSA-N 0 3 379.428 0.626 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cccc1 ZINC001573595916 947423920 /nfs/dbraw/zinc/42/39/20/947423920.db2.gz HOLDLVPKGXPRTL-RHSMWYFYSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cccc1 ZINC001573595916 947423927 /nfs/dbraw/zinc/42/39/27/947423927.db2.gz HOLDLVPKGXPRTL-RHSMWYFYSA-N 0 3 383.456 0.838 20 0 GCADHN C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573595708 947425055 /nfs/dbraw/zinc/42/50/55/947425055.db2.gz ZZARVHHZPKPCQP-FRRDWIJNSA-N 0 3 388.476 0.359 20 0 GCADHN C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573595708 947425060 /nfs/dbraw/zinc/42/50/60/947425060.db2.gz ZZARVHHZPKPCQP-FRRDWIJNSA-N 0 3 388.476 0.359 20 0 GCADHN C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573595708 947425064 /nfs/dbraw/zinc/42/50/64/947425064.db2.gz ZZARVHHZPKPCQP-FRRDWIJNSA-N 0 3 388.476 0.359 20 0 GCADHN C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573595708 947425073 /nfs/dbraw/zinc/42/50/73/947425073.db2.gz ZZARVHHZPKPCQP-FRRDWIJNSA-N 0 3 388.476 0.359 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)n1cncn1 ZINC001573596891 947431706 /nfs/dbraw/zinc/43/17/06/947431706.db2.gz LWRGBBACAZVUMX-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)n1cncn1 ZINC001573596891 947431711 /nfs/dbraw/zinc/43/17/11/947431711.db2.gz LWRGBBACAZVUMX-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1-c1nn[n-]n1)n1cncn1 ZINC001573596891 947431714 /nfs/dbraw/zinc/43/17/14/947431714.db2.gz LWRGBBACAZVUMX-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1-c1nn[n-]n1)n1cncn1 ZINC001573596891 947431719 /nfs/dbraw/zinc/43/17/19/947431719.db2.gz LWRGBBACAZVUMX-CQSZACIVSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC001573598998 947447358 /nfs/dbraw/zinc/44/73/58/947447358.db2.gz UADFCLCXXVQAKZ-CMPLNLGQSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC001573598998 947447367 /nfs/dbraw/zinc/44/73/67/947447367.db2.gz UADFCLCXXVQAKZ-CMPLNLGQSA-N 0 3 386.378 0.974 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573598984 947447803 /nfs/dbraw/zinc/44/78/03/947447803.db2.gz SVNBYJLFLJRCSA-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573598984 947447808 /nfs/dbraw/zinc/44/78/08/947447808.db2.gz SVNBYJLFLJRCSA-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573598984 947447814 /nfs/dbraw/zinc/44/78/14/947447814.db2.gz SVNBYJLFLJRCSA-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573598984 947447820 /nfs/dbraw/zinc/44/78/20/947447820.db2.gz SVNBYJLFLJRCSA-AWEZNQCLSA-N 0 3 383.460 1.000 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)n1cccn1 ZINC001573599620 947457556 /nfs/dbraw/zinc/45/75/56/947457556.db2.gz YTWBCMUJGNFMQT-ZFWWWQNUSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)n1cccn1 ZINC001573599620 947457564 /nfs/dbraw/zinc/45/75/64/947457564.db2.gz YTWBCMUJGNFMQT-ZFWWWQNUSA-N 0 3 384.444 0.233 20 0 GCADHN C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1)n1cncn1 ZINC001573617030 947632681 /nfs/dbraw/zinc/63/26/81/947632681.db2.gz KUBNYUMAFUZBRF-CYBMUJFWSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1)n1cncn1 ZINC001573617030 947632684 /nfs/dbraw/zinc/63/26/84/947632684.db2.gz KUBNYUMAFUZBRF-CYBMUJFWSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573620321 947678428 /nfs/dbraw/zinc/67/84/28/947678428.db2.gz ZNKPQBYOZIETFQ-UKRRQHHQSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573620321 947678434 /nfs/dbraw/zinc/67/84/34/947678434.db2.gz ZNKPQBYOZIETFQ-UKRRQHHQSA-N 0 3 381.444 0.658 20 0 GCADHN C[C@@H](C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[NH+]1CCCCCC1 ZINC001573627112 947717929 /nfs/dbraw/zinc/71/79/29/947717929.db2.gz YXLIZTNRNIKTKY-KBPBESRZSA-N 0 3 385.476 0.934 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC001573630291 947790361 /nfs/dbraw/zinc/79/03/61/947790361.db2.gz XQUCKNVTHFCHNO-XJKSGUPXSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573630291 947790372 /nfs/dbraw/zinc/79/03/72/947790372.db2.gz XQUCKNVTHFCHNO-XJKSGUPXSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573631516 947802484 /nfs/dbraw/zinc/80/24/84/947802484.db2.gz VRMPLRCPJJKUAD-XJKSGUPXSA-N 0 3 381.444 0.800 20 0 GCADHN C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573631516 947802487 /nfs/dbraw/zinc/80/24/87/947802487.db2.gz VRMPLRCPJJKUAD-XJKSGUPXSA-N 0 3 381.444 0.800 20 0 GCADHN CC(=O)CCCC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573377081 947846351 /nfs/dbraw/zinc/84/63/51/947846351.db2.gz HHIWMUVWKPMLDB-MRXNPFEDSA-N 0 3 386.456 0.943 20 0 GCADHN CC(=O)CCCC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573377081 947846359 /nfs/dbraw/zinc/84/63/59/947846359.db2.gz HHIWMUVWKPMLDB-MRXNPFEDSA-N 0 3 386.456 0.943 20 0 GCADHN C[C@H](C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[NH+]1CCCCCC1 ZINC001573640154 947849797 /nfs/dbraw/zinc/84/97/97/947849797.db2.gz GEIQXYNZGHPKFO-CQSZACIVSA-N 0 3 385.476 0.570 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573387954 947914572 /nfs/dbraw/zinc/91/45/72/947914572.db2.gz GUEXCMJOMWBNBI-DYVFJYSZSA-N 0 3 385.472 0.529 20 0 GCADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573387954 947914579 /nfs/dbraw/zinc/91/45/79/947914579.db2.gz GUEXCMJOMWBNBI-DYVFJYSZSA-N 0 3 385.472 0.529 20 0 GCADHN C[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573652792 947946873 /nfs/dbraw/zinc/94/68/73/947946873.db2.gz HJARWRUXBVEDJF-BLLLJJGKSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573652792 947946881 /nfs/dbraw/zinc/94/68/81/947946881.db2.gz HJARWRUXBVEDJF-BLLLJJGKSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392662 947950122 /nfs/dbraw/zinc/95/01/22/947950122.db2.gz DHRGOYWFZGEGDR-OAHLLOKOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573392662 947950132 /nfs/dbraw/zinc/95/01/32/947950132.db2.gz DHRGOYWFZGEGDR-OAHLLOKOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392662 947950135 /nfs/dbraw/zinc/95/01/35/947950135.db2.gz DHRGOYWFZGEGDR-OAHLLOKOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573392662 947950145 /nfs/dbraw/zinc/95/01/45/947950145.db2.gz DHRGOYWFZGEGDR-OAHLLOKOSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573392659 947951078 /nfs/dbraw/zinc/95/10/78/947951078.db2.gz DFJOHKZLMLJMGY-GUYCJALGSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573392659 947951084 /nfs/dbraw/zinc/95/10/84/947951084.db2.gz DFJOHKZLMLJMGY-GUYCJALGSA-N 0 3 385.472 0.672 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC001573392861 947953365 /nfs/dbraw/zinc/95/33/65/947953365.db2.gz GVUXLDPUFANPDB-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC001573392861 947953369 /nfs/dbraw/zinc/95/33/69/947953369.db2.gz GVUXLDPUFANPDB-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573394422 947964287 /nfs/dbraw/zinc/96/42/87/947964287.db2.gz TWGLVQNPXLCCSL-MRXNPFEDSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573394422 947964289 /nfs/dbraw/zinc/96/42/89/947964289.db2.gz TWGLVQNPXLCCSL-MRXNPFEDSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573394422 947964293 /nfs/dbraw/zinc/96/42/93/947964293.db2.gz TWGLVQNPXLCCSL-MRXNPFEDSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573394422 947964295 /nfs/dbraw/zinc/96/42/95/947964295.db2.gz TWGLVQNPXLCCSL-MRXNPFEDSA-N 0 3 385.472 0.625 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573394726 947965906 /nfs/dbraw/zinc/96/59/06/947965906.db2.gz VPTIISDCCPVSQU-HNNXBMFYSA-N 0 3 389.435 0.517 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573394726 947965916 /nfs/dbraw/zinc/96/59/16/947965916.db2.gz VPTIISDCCPVSQU-HNNXBMFYSA-N 0 3 389.435 0.517 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573394681 947966681 /nfs/dbraw/zinc/96/66/81/947966681.db2.gz UXXMONWEPPYZIR-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573394681 947966684 /nfs/dbraw/zinc/96/66/84/947966684.db2.gz UXXMONWEPPYZIR-INIZCTEOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)[C@@H]1C ZINC001573394739 947967078 /nfs/dbraw/zinc/96/70/78/947967078.db2.gz VTXGRGOWYCQRLM-ZBEGNZNMSA-N 0 3 389.435 0.563 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573398692 947984287 /nfs/dbraw/zinc/98/42/87/947984287.db2.gz OSHMLGUJLWZNKI-GHMZBOCLSA-N 0 3 377.424 0.467 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001573398579 947984650 /nfs/dbraw/zinc/98/46/50/947984650.db2.gz NLVDHYZIWNNRQZ-INIZCTEOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001573398579 947984660 /nfs/dbraw/zinc/98/46/60/947984660.db2.gz NLVDHYZIWNNRQZ-INIZCTEOSA-N 0 3 387.488 0.966 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573402293 948003332 /nfs/dbraw/zinc/00/33/32/948003332.db2.gz FPRKQCWTCXIJEJ-LLVKDONJSA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573402293 948003340 /nfs/dbraw/zinc/00/33/40/948003340.db2.gz FPRKQCWTCXIJEJ-LLVKDONJSA-N 0 3 377.424 0.326 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573402847 948006301 /nfs/dbraw/zinc/00/63/01/948006301.db2.gz JMDGCLBWAOYPFV-RDJZCZTQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573402847 948006310 /nfs/dbraw/zinc/00/63/10/948006310.db2.gz JMDGCLBWAOYPFV-RDJZCZTQSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573403077 948008741 /nfs/dbraw/zinc/00/87/41/948008741.db2.gz LEQOVPPHCXZDDG-CVEARBPZSA-N 0 3 385.472 0.862 20 0 GCADHN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573403077 948008752 /nfs/dbraw/zinc/00/87/52/948008752.db2.gz LEQOVPPHCXZDDG-CVEARBPZSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573663462 948037348 /nfs/dbraw/zinc/03/73/48/948037348.db2.gz LYXZTKASZJOIEP-RYUDHWBXSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573663462 948037356 /nfs/dbraw/zinc/03/73/56/948037356.db2.gz LYXZTKASZJOIEP-RYUDHWBXSA-N 0 3 386.460 0.304 20 0 GCADHN CC(=O)N(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573405336 948041496 /nfs/dbraw/zinc/04/14/96/948041496.db2.gz PISZQJVVXOHLDH-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573405336 948041506 /nfs/dbraw/zinc/04/15/06/948041506.db2.gz PISZQJVVXOHLDH-UHFFFAOYSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573405446 948042853 /nfs/dbraw/zinc/04/28/53/948042853.db2.gz QQCNETRQSMALCN-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573405446 948042862 /nfs/dbraw/zinc/04/28/62/948042862.db2.gz QQCNETRQSMALCN-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573405446 948042872 /nfs/dbraw/zinc/04/28/72/948042872.db2.gz QQCNETRQSMALCN-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573405446 948042882 /nfs/dbraw/zinc/04/28/82/948042882.db2.gz QQCNETRQSMALCN-HNNXBMFYSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573405458 948044437 /nfs/dbraw/zinc/04/44/37/948044437.db2.gz QXRRIWOUEYVFNP-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573405458 948044450 /nfs/dbraw/zinc/04/44/50/948044450.db2.gz QXRRIWOUEYVFNP-UHFFFAOYSA-N 0 3 389.435 0.469 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573405745 948046011 /nfs/dbraw/zinc/04/60/11/948046011.db2.gz VPJALLRFGUSAGP-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573405745 948046021 /nfs/dbraw/zinc/04/60/21/948046021.db2.gz VPJALLRFGUSAGP-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573405745 948046031 /nfs/dbraw/zinc/04/60/31/948046031.db2.gz VPJALLRFGUSAGP-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573405745 948046042 /nfs/dbraw/zinc/04/60/42/948046042.db2.gz VPJALLRFGUSAGP-OAHLLOKOSA-N 0 3 385.472 0.673 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573414115 948090562 /nfs/dbraw/zinc/09/05/62/948090562.db2.gz JMARVLCNLXFZCD-MLGOLLRUSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001573414115 948090575 /nfs/dbraw/zinc/09/05/75/948090575.db2.gz JMARVLCNLXFZCD-MLGOLLRUSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573414627 948097769 /nfs/dbraw/zinc/09/77/69/948097769.db2.gz LQKPIDWLYVHNQG-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573414627 948097778 /nfs/dbraw/zinc/09/77/78/948097778.db2.gz LQKPIDWLYVHNQG-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)CNCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573415539 948111008 /nfs/dbraw/zinc/11/10/08/948111008.db2.gz WYRDKJVYWVKMHK-LLVKDONJSA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573415666 948112250 /nfs/dbraw/zinc/11/22/50/948112250.db2.gz ZZAYHPCNIAIFHP-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573415666 948112252 /nfs/dbraw/zinc/11/22/52/948112252.db2.gz ZZAYHPCNIAIFHP-NSHDSACASA-N 0 3 389.435 0.421 20 0 GCADHN CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573419935 948133233 /nfs/dbraw/zinc/13/32/33/948133233.db2.gz VYHYROPYIKARAP-QWRGUYRKSA-N 0 3 389.435 0.467 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573421447 948137751 /nfs/dbraw/zinc/13/77/51/948137751.db2.gz FYLYCEJNFBUFTL-HNNXBMFYSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573421447 948137760 /nfs/dbraw/zinc/13/77/60/948137760.db2.gz FYLYCEJNFBUFTL-HNNXBMFYSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573421447 948137767 /nfs/dbraw/zinc/13/77/67/948137767.db2.gz FYLYCEJNFBUFTL-HNNXBMFYSA-N 0 3 383.456 0.283 20 0 GCADHN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573421447 948137774 /nfs/dbraw/zinc/13/77/74/948137774.db2.gz FYLYCEJNFBUFTL-HNNXBMFYSA-N 0 3 383.456 0.283 20 0 GCADHN C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccnc1 ZINC001573679450 948162018 /nfs/dbraw/zinc/16/20/18/948162018.db2.gz IXKLINARGQWPHO-AAEUAGOBSA-N 0 3 387.469 0.694 20 0 GCADHN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cccnc1 ZINC001573679451 948162136 /nfs/dbraw/zinc/16/21/36/948162136.db2.gz IXKLINARGQWPHO-DGCLKSJQSA-N 0 3 387.469 0.694 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573433835 948206756 /nfs/dbraw/zinc/20/67/56/948206756.db2.gz NWYODUAYLJWHBB-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573433835 948206765 /nfs/dbraw/zinc/20/67/65/948206765.db2.gz NWYODUAYLJWHBB-ORAYPTAESA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573435726 948234574 /nfs/dbraw/zinc/23/45/74/948234574.db2.gz ZXYWEKFPOZRYDC-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573435726 948234582 /nfs/dbraw/zinc/23/45/82/948234582.db2.gz ZXYWEKFPOZRYDC-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(F)(F)F ZINC001573693256 948278260 /nfs/dbraw/zinc/27/82/60/948278260.db2.gz SAOPOFYVDZEGTC-PSASIEDQSA-N 0 3 390.341 0.771 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573442140 948285618 /nfs/dbraw/zinc/28/56/18/948285618.db2.gz TUNYSQOLGJCDDT-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573442140 948285629 /nfs/dbraw/zinc/28/56/29/948285629.db2.gz TUNYSQOLGJCDDT-CXAGYDPISA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cccn1 ZINC001573693889 948289017 /nfs/dbraw/zinc/28/90/17/948289017.db2.gz UYZQSAMXACCIMX-AAEUAGOBSA-N 0 3 388.407 0.030 20 0 GCADHN C[C@@H](C(=O)NCC1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573696221 948319632 /nfs/dbraw/zinc/31/96/32/948319632.db2.gz MEVXHIVRMUBWQS-ZOODHJKOSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573696221 948319639 /nfs/dbraw/zinc/31/96/39/948319639.db2.gz MEVXHIVRMUBWQS-ZOODHJKOSA-N 0 3 392.485 0.284 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573445047 948319778 /nfs/dbraw/zinc/31/97/78/948319778.db2.gz XEWUGNFNVDGWMD-CXAGYDPISA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573445242 948321438 /nfs/dbraw/zinc/32/14/38/948321438.db2.gz YXMHSEXMNZSLIX-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573445242 948321445 /nfs/dbraw/zinc/32/14/45/948321445.db2.gz YXMHSEXMNZSLIX-SUMWQHHRSA-N 0 3 385.472 0.720 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573445301 948324406 /nfs/dbraw/zinc/32/44/06/948324406.db2.gz ZTUDYABSEUPTOE-KRWDZBQOSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N1CCC[C@H](C(=O)NCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573445301 948324412 /nfs/dbraw/zinc/32/44/12/948324412.db2.gz ZTUDYABSEUPTOE-KRWDZBQOSA-N 0 3 385.472 0.721 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573446646 948333440 /nfs/dbraw/zinc/33/34/40/948333440.db2.gz LBZXYPGEWTUWFC-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573446646 948333442 /nfs/dbraw/zinc/33/34/42/948333442.db2.gz LBZXYPGEWTUWFC-IAGOWNOFSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573696885 948336936 /nfs/dbraw/zinc/33/69/36/948336936.db2.gz ZEFQUEKRHKDNLI-NUYPLMSZSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C(=O)NCC1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573696915 948338915 /nfs/dbraw/zinc/33/89/15/948338915.db2.gz ZYNSAMOPQPUEKG-YGONEPDPSA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573696915 948338925 /nfs/dbraw/zinc/33/89/25/948338925.db2.gz ZYNSAMOPQPUEKG-YGONEPDPSA-N 0 3 381.444 0.704 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573446907 948339124 /nfs/dbraw/zinc/33/91/24/948339124.db2.gz RLWZCJQPLYRGLN-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573446907 948339130 /nfs/dbraw/zinc/33/91/30/948339130.db2.gz RLWZCJQPLYRGLN-SUMWQHHRSA-N 0 3 385.472 0.814 20 0 GCADHN O=S1(=O)CC[C@H](C[NH2+]C2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000826496971 948411044 /nfs/dbraw/zinc/41/10/44/948411044.db2.gz PQWKMNRSUWTNFM-OAHLLOKOSA-N 0 3 390.513 0.855 20 0 GCADHN O=S1(=O)CC[C@H](C[NH2+]C2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826496971 948411049 /nfs/dbraw/zinc/41/10/49/948411049.db2.gz PQWKMNRSUWTNFM-OAHLLOKOSA-N 0 3 390.513 0.855 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573716932 948502806 /nfs/dbraw/zinc/50/28/06/948502806.db2.gz KHSGLBKFKQTXEK-NWDGAFQWSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573716932 948502815 /nfs/dbraw/zinc/50/28/15/948502815.db2.gz KHSGLBKFKQTXEK-NWDGAFQWSA-N 0 3 387.423 0.843 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573717353 948507056 /nfs/dbraw/zinc/50/70/56/948507056.db2.gz LTPBDJRAVXFJHL-NWDGAFQWSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573717353 948507061 /nfs/dbraw/zinc/50/70/61/948507061.db2.gz LTPBDJRAVXFJHL-NWDGAFQWSA-N 0 3 380.474 0.284 20 0 GCADHN C[C@@H](C(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001573718703 948517234 /nfs/dbraw/zinc/51/72/34/948517234.db2.gz JIETUYRKUJKCDO-YGRLFVJLSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573727669 948556286 /nfs/dbraw/zinc/55/62/86/948556286.db2.gz BGLFPSPTPCHOKM-NOLJZWGESA-N 0 3 381.444 0.704 20 0 GCADHN C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573727669 948556291 /nfs/dbraw/zinc/55/62/91/948556291.db2.gz BGLFPSPTPCHOKM-NOLJZWGESA-N 0 3 381.444 0.704 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH+]1CCCCCC1 ZINC001573731640 948594635 /nfs/dbraw/zinc/59/46/35/948594635.db2.gz HPOFTHGVTOQCKH-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001573740723 948642141 /nfs/dbraw/zinc/64/21/41/948642141.db2.gz SGYPYGVLKBZJPR-CHWSQXEVSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573749311 948699442 /nfs/dbraw/zinc/69/94/42/948699442.db2.gz YCOTUTKEGDARCL-FWYOQMDTSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573749311 948699448 /nfs/dbraw/zinc/69/94/48/948699448.db2.gz YCOTUTKEGDARCL-FWYOQMDTSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573749309 948699816 /nfs/dbraw/zinc/69/98/16/948699816.db2.gz YCOTUTKEGDARCL-BQDHKBFISA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573749309 948699819 /nfs/dbraw/zinc/69/98/19/948699819.db2.gz YCOTUTKEGDARCL-BQDHKBFISA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)n1cccn1 ZINC001573751966 948709798 /nfs/dbraw/zinc/70/97/98/948709798.db2.gz IVGHFVDEPQJYFJ-KKBVYLPWSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21)n1cccn1 ZINC001573751966 948709803 /nfs/dbraw/zinc/70/98/03/948709803.db2.gz IVGHFVDEPQJYFJ-KKBVYLPWSA-N 0 3 378.440 0.871 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573752052 948710623 /nfs/dbraw/zinc/71/06/23/948710623.db2.gz KWOLSALRAXCBDX-MPESAESLSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573752052 948710629 /nfs/dbraw/zinc/71/06/29/948710629.db2.gz KWOLSALRAXCBDX-MPESAESLSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573752353 948712155 /nfs/dbraw/zinc/71/21/55/948712155.db2.gz NCHUOFPLWDXEJG-MEWXFMAXSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573752353 948712166 /nfs/dbraw/zinc/71/21/66/948712166.db2.gz NCHUOFPLWDXEJG-MEWXFMAXSA-N 0 3 383.456 0.518 20 0 GCADHN C[C@@H](C(N)=O)[N@@H+]1CC[C@H](C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573754175 948738627 /nfs/dbraw/zinc/73/86/27/948738627.db2.gz CRUKLHINZDIVQT-AAEUAGOBSA-N 0 3 386.460 0.243 20 0 GCADHN C[C@@H](C(N)=O)[N@H+]1CC[C@H](C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573754175 948738631 /nfs/dbraw/zinc/73/86/31/948738631.db2.gz CRUKLHINZDIVQT-AAEUAGOBSA-N 0 3 386.460 0.243 20 0 GCADHN C[C@H](C(N)=O)[N@@H+]1CC[C@@H](C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573754176 948738957 /nfs/dbraw/zinc/73/89/57/948738957.db2.gz CRUKLHINZDIVQT-DGCLKSJQSA-N 0 3 386.460 0.243 20 0 GCADHN C[C@H](C(N)=O)[N@H+]1CC[C@@H](C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573754176 948738965 /nfs/dbraw/zinc/73/89/65/948738965.db2.gz CRUKLHINZDIVQT-DGCLKSJQSA-N 0 3 386.460 0.243 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574917489 948818740 /nfs/dbraw/zinc/81/87/40/948818740.db2.gz YRFZHTLSLBWBRJ-NSHDSACASA-N 0 3 387.423 0.361 20 0 GCADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574917489 948818756 /nfs/dbraw/zinc/81/87/56/948818756.db2.gz YRFZHTLSLBWBRJ-NSHDSACASA-N 0 3 387.423 0.361 20 0 GCADHN C[C@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574918385 948847133 /nfs/dbraw/zinc/84/71/33/948847133.db2.gz KFHIZWTYTJQOCY-GFCCVEGCSA-N 0 3 387.423 0.672 20 0 GCADHN C[C@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574918385 948847141 /nfs/dbraw/zinc/84/71/41/948847141.db2.gz KFHIZWTYTJQOCY-GFCCVEGCSA-N 0 3 387.423 0.672 20 0 GCADHN C[C@@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574918788 948857246 /nfs/dbraw/zinc/85/72/46/948857246.db2.gz QKBWZBHKCCGCDE-LBPRGKRZSA-N 0 3 387.423 0.672 20 0 GCADHN C[C@@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574918788 948857267 /nfs/dbraw/zinc/85/72/67/948857267.db2.gz QKBWZBHKCCGCDE-LBPRGKRZSA-N 0 3 387.423 0.672 20 0 GCADHN C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574919176 948867041 /nfs/dbraw/zinc/86/70/41/948867041.db2.gz VPPKAXFQARUKQG-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574919176 948867054 /nfs/dbraw/zinc/86/70/54/948867054.db2.gz VPPKAXFQARUKQG-ZDUSSCGKSA-N 0 3 388.476 0.648 20 0 GCADHN CC(C)(C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH+]1CCCC1 ZINC001573764604 948890712 /nfs/dbraw/zinc/89/07/12/948890712.db2.gz OYZBPOWWRCWJEG-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+]1CCCC1 ZINC001573765220 948901598 /nfs/dbraw/zinc/90/15/98/948901598.db2.gz WYCKGYBKBCQJQH-CYBMUJFWSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574920500 948904999 /nfs/dbraw/zinc/90/49/99/948904999.db2.gz MUMAZDWCXOUKIM-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574920500 948905009 /nfs/dbraw/zinc/90/50/09/948905009.db2.gz MUMAZDWCXOUKIM-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574920500 948905015 /nfs/dbraw/zinc/90/50/15/948905015.db2.gz MUMAZDWCXOUKIM-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574920500 948905027 /nfs/dbraw/zinc/90/50/27/948905027.db2.gz MUMAZDWCXOUKIM-CYBMUJFWSA-N 0 3 383.460 0.565 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574920490 948905864 /nfs/dbraw/zinc/90/58/64/948905864.db2.gz MLQCKGYDNDLLBX-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574920490 948905880 /nfs/dbraw/zinc/90/58/80/948905880.db2.gz MLQCKGYDNDLLBX-GFCCVEGCSA-N 0 3 386.435 0.966 20 0 GCADHN CC(C)(C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[NH+]1CCCC1 ZINC001573765423 948910739 /nfs/dbraw/zinc/91/07/39/948910739.db2.gz DQOOFJHSMZMTSB-UHFFFAOYSA-N 0 3 386.460 0.354 20 0 GCADHN CC(C)c1nccn1CC(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574427717 948912241 /nfs/dbraw/zinc/91/22/41/948912241.db2.gz MENNPNZBWPDBQM-CYBMUJFWSA-N 0 3 383.460 0.963 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574921200 948918503 /nfs/dbraw/zinc/91/85/03/948918503.db2.gz VCVBJZKKIVYFRM-LLVKDONJSA-N 0 3 387.423 0.361 20 0 GCADHN C[C@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574921200 948918517 /nfs/dbraw/zinc/91/85/17/948918517.db2.gz VCVBJZKKIVYFRM-LLVKDONJSA-N 0 3 387.423 0.361 20 0 GCADHN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)[NH+]1CCCC1 ZINC001573765792 948925017 /nfs/dbraw/zinc/92/50/17/948925017.db2.gz HHVMUBZBZUTJQB-GJZGRUSLSA-N 0 3 382.472 0.926 20 0 GCADHN CC(C)c1nccn1CC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574431927 948929269 /nfs/dbraw/zinc/92/92/69/948929269.db2.gz FGUVCRWMDNYIGP-JOCQHMNTSA-N 0 3 381.444 0.763 20 0 GCADHN CC(C)(C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573771685 948944358 /nfs/dbraw/zinc/94/43/58/948944358.db2.gz KXJCXJWNQWRFQH-CYBMUJFWSA-N 0 3 385.476 0.838 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[NH+]1CCCCC1 ZINC001573772355 948957854 /nfs/dbraw/zinc/95/78/54/948957854.db2.gz APUXTOAYDVKADK-CYBMUJFWSA-N 0 3 385.476 0.616 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccnn1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574923738 948959928 /nfs/dbraw/zinc/95/99/28/948959928.db2.gz ROXFOHKMSVSQRE-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](CNC(=O)CCn1ccnn1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574923738 948959939 /nfs/dbraw/zinc/95/99/39/948959939.db2.gz ROXFOHKMSVSQRE-LBPRGKRZSA-N 0 3 387.423 0.624 20 0 GCADHN CC(C)(C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[NH+]1CCCCC1 ZINC001573772735 948965628 /nfs/dbraw/zinc/96/56/28/948965628.db2.gz CQENOPXDYUEWFS-UHFFFAOYSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574926069 948983551 /nfs/dbraw/zinc/98/35/51/948983551.db2.gz HPQAOAWEQQEGNP-CQSZACIVSA-N 0 3 385.472 0.864 20 0 GCADHN CC(C)(C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)[NH+]1CCCC1 ZINC001573773591 948985815 /nfs/dbraw/zinc/98/58/15/948985815.db2.gz MTBFTXXZEAITJB-ZDUSSCGKSA-N 0 3 388.451 0.970 20 0 GCADHN CC(C)c1nnnn1CC(=O)NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574435326 948995561 /nfs/dbraw/zinc/99/55/61/948995561.db2.gz SXQPKOSWZLCICR-UHFFFAOYSA-N 0 3 388.411 0.022 20 0 GCADHN CC(C)c1nnnn1CC(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574435326 948995569 /nfs/dbraw/zinc/99/55/69/948995569.db2.gz SXQPKOSWZLCICR-UHFFFAOYSA-N 0 3 388.411 0.022 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575243795 949001984 /nfs/dbraw/zinc/00/19/84/949001984.db2.gz RJBDJONYXRNLRS-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575243795 949002001 /nfs/dbraw/zinc/00/20/01/949002001.db2.gz RJBDJONYXRNLRS-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@H+](CCO)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575243795 949002014 /nfs/dbraw/zinc/00/20/14/949002014.db2.gz RJBDJONYXRNLRS-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@@H](F)CC[N@@H+](CCO)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575243795 949002030 /nfs/dbraw/zinc/00/20/30/949002030.db2.gz RJBDJONYXRNLRS-GFCCVEGCSA-N 0 3 379.440 0.842 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926450 949002488 /nfs/dbraw/zinc/00/24/88/949002488.db2.gz QPMIKAFHCFMKMT-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@H](CNC(=O)CN1CCCC1=O)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926450 949002510 /nfs/dbraw/zinc/00/25/10/949002510.db2.gz QPMIKAFHCFMKMT-GFCCVEGCSA-N 0 3 389.435 0.565 20 0 GCADHN CC(C)(C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)[NH+]1CCCC1 ZINC001573774265 949006357 /nfs/dbraw/zinc/00/63/57/949006357.db2.gz LBGPXNLLJGFSPH-CQSZACIVSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574926526 949009250 /nfs/dbraw/zinc/00/92/50/949009250.db2.gz SZHMUCHIGMUTPW-GFCCVEGCSA-N 0 3 389.435 0.613 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574926757 949020240 /nfs/dbraw/zinc/02/02/40/949020240.db2.gz WYKJQGRFMWEMIE-NSHDSACASA-N 0 3 375.408 0.223 20 0 GCADHN C[C@@H](CNC(=O)CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574926757 949020222 /nfs/dbraw/zinc/02/02/22/949020222.db2.gz WYKJQGRFMWEMIE-NSHDSACASA-N 0 3 375.408 0.223 20 0 GCADHN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574926781 949023833 /nfs/dbraw/zinc/02/38/33/949023833.db2.gz XJGVTIFOWIKAHO-LBPRGKRZSA-N 0 3 375.481 0.576 20 0 GCADHN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574926781 949023814 /nfs/dbraw/zinc/02/38/14/949023814.db2.gz XJGVTIFOWIKAHO-LBPRGKRZSA-N 0 3 375.481 0.576 20 0 GCADHN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]cn1 ZINC001573775268 949037024 /nfs/dbraw/zinc/03/70/24/949037024.db2.gz VFDYBKCRNZHGBR-SNVBAGLBSA-N 0 3 390.473 0.196 20 0 GCADHN CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1c[nH]cn1 ZINC001573775268 949037043 /nfs/dbraw/zinc/03/70/43/949037043.db2.gz VFDYBKCRNZHGBR-SNVBAGLBSA-N 0 3 390.473 0.196 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574926984 949037502 /nfs/dbraw/zinc/03/75/02/949037502.db2.gz DYDISJJZXMJIMG-LLVKDONJSA-N 0 3 390.423 0.015 20 0 GCADHN C[C@H](CNC(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574926984 949037482 /nfs/dbraw/zinc/03/74/82/949037482.db2.gz DYDISJJZXMJIMG-LLVKDONJSA-N 0 3 390.423 0.015 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574928329 949056683 /nfs/dbraw/zinc/05/66/83/949056683.db2.gz OWNIVYVJSTTYGF-NSHDSACASA-N 0 3 391.451 0.762 20 0 GCADHN C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574694844 949095249 /nfs/dbraw/zinc/09/52/49/949095249.db2.gz WZBBGLFFVQISAM-GFCCVEGCSA-N 0 3 388.476 0.646 20 0 GCADHN CC(C)[C@H](C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH+](C)C ZINC001574694818 949096519 /nfs/dbraw/zinc/09/65/19/949096519.db2.gz WPCZVSAYZDBZOO-SMDDNHRTSA-N 0 3 376.465 0.358 20 0 GCADHN CC(C)(C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573781520 949106869 /nfs/dbraw/zinc/10/68/69/949106869.db2.gz ISVNBESKVJTINZ-UHFFFAOYSA-N 0 3 384.488 0.936 20 0 GCADHN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)[NH+]1CCCC1 ZINC001573786973 949159852 /nfs/dbraw/zinc/15/98/52/949159852.db2.gz HETIQKVEUVSCAV-JYAVWHMHSA-N 0 3 383.460 0.082 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574697781 949160741 /nfs/dbraw/zinc/16/07/41/949160741.db2.gz BWRBPQPIJPAENR-QWRGUYRKSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574697781 949160751 /nfs/dbraw/zinc/16/07/51/949160751.db2.gz BWRBPQPIJPAENR-QWRGUYRKSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](CNC(=O)COCc1nccn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574934454 949161040 /nfs/dbraw/zinc/16/10/40/949161040.db2.gz IMPLGHYBGOQZMV-CYBMUJFWSA-N 0 3 384.444 0.411 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574697861 949163051 /nfs/dbraw/zinc/16/30/51/949163051.db2.gz CPIICSRLKAWUMO-GHMZBOCLSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574697861 949163059 /nfs/dbraw/zinc/16/30/59/949163059.db2.gz CPIICSRLKAWUMO-GHMZBOCLSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574697864 949163537 /nfs/dbraw/zinc/16/35/37/949163537.db2.gz CPIICSRLKAWUMO-WDEREUQCSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574697864 949163560 /nfs/dbraw/zinc/16/35/60/949163560.db2.gz CPIICSRLKAWUMO-WDEREUQCSA-N 0 3 377.424 0.454 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574697955 949168753 /nfs/dbraw/zinc/16/87/53/949168753.db2.gz DLPJHRXCBFXSOT-QWRGUYRKSA-N 0 3 377.424 0.454 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573788122 949192406 /nfs/dbraw/zinc/19/24/06/949192406.db2.gz GVJGNJOVNFRKBY-HAQNSBGRSA-N 0 3 375.408 0.254 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573788122 949192415 /nfs/dbraw/zinc/19/24/15/949192415.db2.gz GVJGNJOVNFRKBY-HAQNSBGRSA-N 0 3 375.408 0.254 20 0 GCADHN C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575253570 949193973 /nfs/dbraw/zinc/19/39/73/949193973.db2.gz KPSMPQKTFZIUGG-NSHDSACASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575253570 949193982 /nfs/dbraw/zinc/19/39/82/949193982.db2.gz KPSMPQKTFZIUGG-NSHDSACASA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574703554 949338329 /nfs/dbraw/zinc/33/83/29/949338329.db2.gz WHANTDKDJJWXQA-ZMZPIMSZSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCNC1=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574703554 949338352 /nfs/dbraw/zinc/33/83/52/949338352.db2.gz WHANTDKDJJWXQA-ZMZPIMSZSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)C1=COCCO1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574703976 949361792 /nfs/dbraw/zinc/36/17/92/949361792.db2.gz IQMHGFZDUYQZSU-NSHDSACASA-N 0 3 376.392 0.831 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573799452 949370194 /nfs/dbraw/zinc/37/01/94/949370194.db2.gz MVFCCLJXHPLDJM-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573799452 949370221 /nfs/dbraw/zinc/37/02/21/949370221.db2.gz MVFCCLJXHPLDJM-OAHLLOKOSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574705434 949424964 /nfs/dbraw/zinc/42/49/64/949424964.db2.gz SVIIVBQLLRWRAB-YPMHNXCESA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574705590 949428469 /nfs/dbraw/zinc/42/84/69/949428469.db2.gz JAMWTCPNAYRZKV-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574705590 949428487 /nfs/dbraw/zinc/42/84/87/949428487.db2.gz JAMWTCPNAYRZKV-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CCNC(=O)C1 ZINC001575535750 949453068 /nfs/dbraw/zinc/45/30/68/949453068.db2.gz AOWAVTIANVAART-KXBFYZLASA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H]1CCCC[C@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576156712 949459835 /nfs/dbraw/zinc/45/98/35/949459835.db2.gz OJNZJEGWMONNLX-KPZWWZAWSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574948497 949466858 /nfs/dbraw/zinc/46/68/58/949466858.db2.gz JWXXLXWOVSQJPD-GFCCVEGCSA-N 0 3 381.444 0.630 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575537481 949493999 /nfs/dbraw/zinc/49/39/99/949493999.db2.gz WBOZKXQLQLXAST-IFXJQAMLSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575537481 949494013 /nfs/dbraw/zinc/49/40/13/949494013.db2.gz WBOZKXQLQLXAST-IFXJQAMLSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H]1CCCC[C@@]1(C[NH2+]CC(=O)N(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576158175 949496394 /nfs/dbraw/zinc/49/63/94/949496394.db2.gz SMYNHSNOZHFGJC-SGTLLEGYSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575537485 949498797 /nfs/dbraw/zinc/49/87/97/949498797.db2.gz WBOZKXQLQLXAST-LIRRHRJNSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575537485 949498812 /nfs/dbraw/zinc/49/88/12/949498812.db2.gz WBOZKXQLQLXAST-LIRRHRJNSA-N 0 3 383.456 0.474 20 0 GCADHN CC(C)c1nnnn1CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574949683 949503054 /nfs/dbraw/zinc/50/30/54/949503054.db2.gz APBUZSHNRPVFDG-LBPRGKRZSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)c1nnnn1CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574949683 949503066 /nfs/dbraw/zinc/50/30/66/949503066.db2.gz APBUZSHNRPVFDG-LBPRGKRZSA-N 0 3 384.448 0.271 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575871568 949513045 /nfs/dbraw/zinc/51/30/45/949513045.db2.gz AKIVNGMLPXRLPG-NEPJUHHUSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575871568 949513063 /nfs/dbraw/zinc/51/30/63/949513063.db2.gz AKIVNGMLPXRLPG-NEPJUHHUSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575871571 949513136 /nfs/dbraw/zinc/51/31/36/949513136.db2.gz AKIVNGMLPXRLPG-VXGBXAGGSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575871571 949513150 /nfs/dbraw/zinc/51/31/50/949513150.db2.gz AKIVNGMLPXRLPG-VXGBXAGGSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574470831 949517003 /nfs/dbraw/zinc/51/70/03/949517003.db2.gz HJMGHLWLSDZDAF-VCANKDNSSA-N 0 3 386.460 0.393 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574710869 949517156 /nfs/dbraw/zinc/51/71/56/949517156.db2.gz BQZBCSGJEMTUDP-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574710869 949517164 /nfs/dbraw/zinc/51/71/64/949517164.db2.gz BQZBCSGJEMTUDP-SMDDNHRTSA-N 0 3 386.460 0.113 20 0 GCADHN C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574470831 949517015 /nfs/dbraw/zinc/51/70/15/949517015.db2.gz HJMGHLWLSDZDAF-VCANKDNSSA-N 0 3 386.460 0.393 20 0 GCADHN CC(C)c1nnnn1CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574949968 949522764 /nfs/dbraw/zinc/52/27/64/949522764.db2.gz IMXXBBXONLLWOC-GFCCVEGCSA-N 0 3 384.448 0.271 20 0 GCADHN CC(C)c1nnnn1CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574949968 949522772 /nfs/dbraw/zinc/52/27/72/949522772.db2.gz IMXXBBXONLLWOC-GFCCVEGCSA-N 0 3 384.448 0.271 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1COCCO1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711335 949530584 /nfs/dbraw/zinc/53/05/84/949530584.db2.gz GJEUFAXMRGSLJZ-IAQYHMDHSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1COCCO1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711335 949530600 /nfs/dbraw/zinc/53/06/00/949530600.db2.gz GJEUFAXMRGSLJZ-IAQYHMDHSA-N 0 3 378.408 0.358 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711222 949532316 /nfs/dbraw/zinc/53/23/16/949532316.db2.gz FGVZMSZMSPFAKH-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574711222 949532329 /nfs/dbraw/zinc/53/23/29/949532329.db2.gz FGVZMSZMSPFAKH-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574711416 949536800 /nfs/dbraw/zinc/53/68/00/949536800.db2.gz GZDPOJAHVYPUGC-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574711416 949536819 /nfs/dbraw/zinc/53/68/19/949536819.db2.gz GZDPOJAHVYPUGC-BBRMVZONSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575872556 949546773 /nfs/dbraw/zinc/54/67/73/949546773.db2.gz JQIVPRFWGQMRCS-ZFWWWQNUSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575872556 949546788 /nfs/dbraw/zinc/54/67/88/949546788.db2.gz JQIVPRFWGQMRCS-ZFWWWQNUSA-N 0 3 382.472 0.831 20 0 GCADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574711700 949549465 /nfs/dbraw/zinc/54/94/65/949549465.db2.gz KQRLMSZYRQLPDR-DGCLKSJQSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872589 949553954 /nfs/dbraw/zinc/55/39/54/949553954.db2.gz KBVKIYUOLSWOPW-BXUZGUMPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872589 949553971 /nfs/dbraw/zinc/55/39/71/949553971.db2.gz KBVKIYUOLSWOPW-BXUZGUMPSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574711874 949561210 /nfs/dbraw/zinc/56/12/10/949561210.db2.gz NJQDOQBJJSHGPH-LRDDRELGSA-N 0 3 391.451 0.273 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574124099 949567117 /nfs/dbraw/zinc/56/71/17/949567117.db2.gz BMNHLFSIFASIOH-CZUORRHYSA-N 0 3 387.488 0.951 20 0 GCADHN CC(C)C[C@H](C(N)=O)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574124099 949567129 /nfs/dbraw/zinc/56/71/29/949567129.db2.gz BMNHLFSIFASIOH-CZUORRHYSA-N 0 3 387.488 0.951 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574712162 949568657 /nfs/dbraw/zinc/56/86/57/949568657.db2.gz PSOGAFJPYDUYAF-UONOGXRCSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574712162 949568673 /nfs/dbraw/zinc/56/86/73/949568673.db2.gz PSOGAFJPYDUYAF-UONOGXRCSA-N 0 3 385.472 0.720 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1ncnn1 ZINC001573810834 949581028 /nfs/dbraw/zinc/58/10/28/949581028.db2.gz DQDCJJRDKBEYLG-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1ncnn1 ZINC001573810834 949581046 /nfs/dbraw/zinc/58/10/46/949581046.db2.gz DQDCJJRDKBEYLG-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573811132 949592705 /nfs/dbraw/zinc/59/27/05/949592705.db2.gz HXNKVJMNLNECEB-UONOGXRCSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573811132 949592720 /nfs/dbraw/zinc/59/27/20/949592720.db2.gz HXNKVJMNLNECEB-UONOGXRCSA-N 0 3 387.444 0.596 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)Cn1ncnn1 ZINC001573811608 949604089 /nfs/dbraw/zinc/60/40/89/949604089.db2.gz MJZRBQWLGALSIB-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)Cn1ncnn1 ZINC001573811608 949604106 /nfs/dbraw/zinc/60/41/06/949604106.db2.gz MJZRBQWLGALSIB-AWEZNQCLSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)Cn1cnnn1 ZINC001573811870 949609476 /nfs/dbraw/zinc/60/94/76/949609476.db2.gz ORMMMHLHSNSHOA-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)Cn1cnnn1 ZINC001573811870 949609487 /nfs/dbraw/zinc/60/94/87/949609487.db2.gz ORMMMHLHSNSHOA-CQSZACIVSA-N 0 3 384.448 0.174 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574957472 949613448 /nfs/dbraw/zinc/61/34/48/949613448.db2.gz YQMYEUFJEIPQRX-WFASDCNBSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574957472 949613458 /nfs/dbraw/zinc/61/34/58/949613458.db2.gz YQMYEUFJEIPQRX-WFASDCNBSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574957472 949613469 /nfs/dbraw/zinc/61/34/69/949613469.db2.gz YQMYEUFJEIPQRX-WFASDCNBSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574957472 949613479 /nfs/dbraw/zinc/61/34/79/949613479.db2.gz YQMYEUFJEIPQRX-WFASDCNBSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574957460 949614526 /nfs/dbraw/zinc/61/45/26/949614526.db2.gz YKAWILOUFBMKLA-NQBHXWOUSA-N 0 3 376.440 0.682 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574957460 949614538 /nfs/dbraw/zinc/61/45/38/949614538.db2.gz YKAWILOUFBMKLA-NQBHXWOUSA-N 0 3 376.440 0.682 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574957460 949614553 /nfs/dbraw/zinc/61/45/53/949614553.db2.gz YKAWILOUFBMKLA-NQBHXWOUSA-N 0 3 376.440 0.682 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574957460 949614566 /nfs/dbraw/zinc/61/45/66/949614566.db2.gz YKAWILOUFBMKLA-NQBHXWOUSA-N 0 3 376.440 0.682 20 0 GCADHN C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874709 949619313 /nfs/dbraw/zinc/61/93/13/949619313.db2.gz UDZVHLCRYCWPQK-VXGBXAGGSA-N 0 3 384.444 0.010 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575271775 949628195 /nfs/dbraw/zinc/62/81/95/949628195.db2.gz LYVCAACYSYNHBK-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575271775 949628208 /nfs/dbraw/zinc/62/82/08/949628208.db2.gz LYVCAACYSYNHBK-QWHCGFSZSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574714568 949632124 /nfs/dbraw/zinc/63/21/24/949632124.db2.gz FMARAINJQOTLQG-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574714568 949632132 /nfs/dbraw/zinc/63/21/32/949632132.db2.gz FMARAINJQOTLQG-ZFWWWQNUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575875856 949638600 /nfs/dbraw/zinc/63/86/00/949638600.db2.gz WIIZXSKYHKBLKI-STQMWFEESA-N 0 3 385.476 0.615 20 0 GCADHN C[C@@H](CN(C)C(=O)CCCC(N)=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574715397 949650578 /nfs/dbraw/zinc/65/05/78/949650578.db2.gz BXNAAYMSGZBRFX-NSHDSACASA-N 0 3 377.424 0.598 20 0 GCADHN C[C@@H](CN(C)C(=O)CCCC(N)=O)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574715397 949650589 /nfs/dbraw/zinc/65/05/89/949650589.db2.gz BXNAAYMSGZBRFX-NSHDSACASA-N 0 3 377.424 0.598 20 0 GCADHN C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715402 949651484 /nfs/dbraw/zinc/65/14/84/949651484.db2.gz BYWZTEMUCGZLGX-GFCCVEGCSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575548057 949654724 /nfs/dbraw/zinc/65/47/24/949654724.db2.gz NZFBMHWOHSGGNH-KUHUBIRLSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575548057 949654741 /nfs/dbraw/zinc/65/47/41/949654741.db2.gz NZFBMHWOHSGGNH-KUHUBIRLSA-N 0 3 383.456 0.474 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575273023 949658428 /nfs/dbraw/zinc/65/84/28/949658428.db2.gz UQVDLVZGFMBKAU-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575273023 949658438 /nfs/dbraw/zinc/65/84/38/949658438.db2.gz UQVDLVZGFMBKAU-STQMWFEESA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575273298 949658615 /nfs/dbraw/zinc/65/86/15/949658615.db2.gz VROBLDAPQURQJT-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575273298 949658619 /nfs/dbraw/zinc/65/86/19/949658619.db2.gz VROBLDAPQURQJT-CHWSQXEVSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCOC1 ZINC001575548213 949666076 /nfs/dbraw/zinc/66/60/76/949666076.db2.gz UIHPTGJLDWADOH-DNVCBOLYSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCOC1 ZINC001575548213 949666086 /nfs/dbraw/zinc/66/60/86/949666086.db2.gz UIHPTGJLDWADOH-DNVCBOLYSA-N 0 3 386.456 0.610 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574715788 949669159 /nfs/dbraw/zinc/66/91/59/949669159.db2.gz KFUSHAIJEXUCCE-WCQYABFASA-N 0 3 389.435 0.611 20 0 GCADHN C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001575273828 949672072 /nfs/dbraw/zinc/67/20/72/949672072.db2.gz YGGWJSQDDBNBJV-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001575273828 949672085 /nfs/dbraw/zinc/67/20/85/949672085.db2.gz YGGWJSQDDBNBJV-QWHCGFSZSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574716121 949682780 /nfs/dbraw/zinc/68/27/80/949682780.db2.gz MPVBRQOMOXYASH-CJNGLKHVSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CC(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1)NC(N)=O ZINC001574477871 949683941 /nfs/dbraw/zinc/68/39/41/949683941.db2.gz VROROYJTRFEWHY-ZDUSSCGKSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@@H](CC(=O)N(C)CCC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1)NC(N)=O ZINC001574477871 949683955 /nfs/dbraw/zinc/68/39/55/949683955.db2.gz VROROYJTRFEWHY-ZDUSSCGKSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@@H](CC(=O)N(C)CCC[N@H+](C)Cc1cccc(-c2nn[n-]n2)c1)NC(N)=O ZINC001574477871 949683970 /nfs/dbraw/zinc/68/39/70/949683970.db2.gz VROROYJTRFEWHY-ZDUSSCGKSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@@H](CC(=O)N(C)CCC[N@@H+](C)Cc1cccc(-c2nn[n-]n2)c1)NC(N)=O ZINC001574477871 949683982 /nfs/dbraw/zinc/68/39/82/949683982.db2.gz VROROYJTRFEWHY-ZDUSSCGKSA-N 0 3 388.476 0.594 20 0 GCADHN C[C@H]1CCCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576170500 949720514 /nfs/dbraw/zinc/72/05/14/949720514.db2.gz LNCXCRKBLSQCSR-RWMBFGLXSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574478790 949721106 /nfs/dbraw/zinc/72/11/06/949721106.db2.gz AQXHPDFZMWTFPA-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574478790 949721127 /nfs/dbraw/zinc/72/11/27/949721127.db2.gz AQXHPDFZMWTFPA-TZMCWYRMSA-N 0 3 386.460 0.252 20 0 GCADHN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1ccnc1 ZINC001573819013 949744852 /nfs/dbraw/zinc/74/48/52/949744852.db2.gz QYOVBPKJNUGTRL-HNNXBMFYSA-N 0 3 383.460 0.913 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574718010 949755612 /nfs/dbraw/zinc/75/56/12/949755612.db2.gz REFXYMAQUPGIIH-NEPJUHHUSA-N 0 3 390.419 0.896 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718212 949765912 /nfs/dbraw/zinc/76/59/12/949765912.db2.gz TXLQSZOVLKAOEE-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718212 949765918 /nfs/dbraw/zinc/76/59/18/949765918.db2.gz TXLQSZOVLKAOEE-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718212 949765929 /nfs/dbraw/zinc/76/59/29/949765929.db2.gz TXLQSZOVLKAOEE-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718212 949765935 /nfs/dbraw/zinc/76/59/35/949765935.db2.gz TXLQSZOVLKAOEE-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481163 949767075 /nfs/dbraw/zinc/76/70/75/949767075.db2.gz MXEFNSUCPQITDF-TZMCWYRMSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481163 949767093 /nfs/dbraw/zinc/76/70/93/949767093.db2.gz MXEFNSUCPQITDF-TZMCWYRMSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481163 949767113 /nfs/dbraw/zinc/76/71/13/949767113.db2.gz MXEFNSUCPQITDF-TZMCWYRMSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481163 949767125 /nfs/dbraw/zinc/76/71/25/949767125.db2.gz MXEFNSUCPQITDF-TZMCWYRMSA-N 0 3 386.460 0.346 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718213 949767680 /nfs/dbraw/zinc/76/76/80/949767680.db2.gz TXLQSZOVLKAOEE-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718213 949767695 /nfs/dbraw/zinc/76/76/95/949767695.db2.gz TXLQSZOVLKAOEE-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718213 949767703 /nfs/dbraw/zinc/76/77/03/949767703.db2.gz TXLQSZOVLKAOEE-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718213 949767708 /nfs/dbraw/zinc/76/77/08/949767708.db2.gz TXLQSZOVLKAOEE-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574718166 949768020 /nfs/dbraw/zinc/76/80/20/949768020.db2.gz YZYPHVSMFHPWAZ-BBRMVZONSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574718166 949768039 /nfs/dbraw/zinc/76/80/39/949768039.db2.gz YZYPHVSMFHPWAZ-BBRMVZONSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574718167 949769063 /nfs/dbraw/zinc/76/90/63/949769063.db2.gz YZYPHVSMFHPWAZ-CJNGLKHVSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574718167 949769073 /nfs/dbraw/zinc/76/90/73/949769073.db2.gz YZYPHVSMFHPWAZ-CJNGLKHVSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574718382 949776714 /nfs/dbraw/zinc/77/67/14/949776714.db2.gz VZVPUEIVGVYEKL-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574964882 949791117 /nfs/dbraw/zinc/79/11/17/949791117.db2.gz BGJWSEOFERNOMK-BTDLBPIBSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574964882 949791126 /nfs/dbraw/zinc/79/11/26/949791126.db2.gz BGJWSEOFERNOMK-BTDLBPIBSA-N 0 3 375.408 0.269 20 0 GCADHN C[C@H](NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575280856 949791255 /nfs/dbraw/zinc/79/12/55/949791255.db2.gz ATZCBLNPAAATDB-GVXVVHGQSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@H](NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575280855 949791705 /nfs/dbraw/zinc/79/17/05/949791705.db2.gz ATZCBLNPAAATDB-GMXVVIOVSA-N 0 3 386.460 0.208 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574481740 949799917 /nfs/dbraw/zinc/79/99/17/949799917.db2.gz URCPSSQMZQEXIQ-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574481740 949799930 /nfs/dbraw/zinc/79/99/30/949799930.db2.gz URCPSSQMZQEXIQ-GXTWGEPZSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575281219 949800879 /nfs/dbraw/zinc/80/08/79/949800879.db2.gz DWBREIQNPWYBAH-NWDGAFQWSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H](NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575281219 949800901 /nfs/dbraw/zinc/80/09/01/949800901.db2.gz DWBREIQNPWYBAH-NWDGAFQWSA-N 0 3 386.460 0.161 20 0 GCADHN C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576172615 949809894 /nfs/dbraw/zinc/80/98/94/949809894.db2.gz YAAPXDNPDVTFHJ-WFASDCNBSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)CC[NH+](C)C ZINC001576172615 949809917 /nfs/dbraw/zinc/80/99/17/949809917.db2.gz YAAPXDNPDVTFHJ-WFASDCNBSA-N 0 3 388.476 0.503 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575883570 949818500 /nfs/dbraw/zinc/81/85/00/949818500.db2.gz RLGAAOJFIKSJNR-DGCLKSJQSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575883570 949818523 /nfs/dbraw/zinc/81/85/23/949818523.db2.gz RLGAAOJFIKSJNR-DGCLKSJQSA-N 0 3 386.460 0.256 20 0 GCADHN C[C@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574722140 949830985 /nfs/dbraw/zinc/83/09/85/949830985.db2.gz PYPFTGKTERCHMG-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574722140 949831005 /nfs/dbraw/zinc/83/10/05/949831005.db2.gz PYPFTGKTERCHMG-CQSZACIVSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CCC[NH+](C)C ZINC001575884008 949835449 /nfs/dbraw/zinc/83/54/49/949835449.db2.gz UDOZYTXVZWVQCS-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CCC[NH+](C)C ZINC001575884008 949835471 /nfs/dbraw/zinc/83/54/71/949835471.db2.gz UDOZYTXVZWVQCS-TZMCWYRMSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)CCn1cncn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574724718 949878226 /nfs/dbraw/zinc/87/82/26/949878226.db2.gz JZFZJNYLJNZIRD-GFCCVEGCSA-N 0 3 387.423 0.624 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574484425 949878097 /nfs/dbraw/zinc/87/80/97/949878097.db2.gz GFXMJMWAUHYQHH-SWLSCSKDSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574484425 949878122 /nfs/dbraw/zinc/87/81/22/949878122.db2.gz GFXMJMWAUHYQHH-SWLSCSKDSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CN(C)C(=O)CCn1cnnn1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574724853 949878745 /nfs/dbraw/zinc/87/87/45/949878745.db2.gz KQBNHLZCMMUDKW-NSHDSACASA-N 0 3 388.411 0.019 20 0 GCADHN C[C@@H](CN(C)C(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574725038 949890546 /nfs/dbraw/zinc/89/05/46/949890546.db2.gz NWSORKBYIQVMMS-ZDUSSCGKSA-N 0 3 385.472 0.672 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1)n1ccnc1 ZINC001574484637 949892753 /nfs/dbraw/zinc/89/27/53/949892753.db2.gz LCMFPINNLRZGDK-KBPBESRZSA-N 0 3 381.444 0.934 20 0 GCADHN C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284544 949906632 /nfs/dbraw/zinc/90/66/32/949906632.db2.gz JHZLQRAEDKZJLR-RYUDHWBXSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284544 949906659 /nfs/dbraw/zinc/90/66/59/949906659.db2.gz JHZLQRAEDKZJLR-RYUDHWBXSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)C12CCC[NH+]1CCC2 ZINC001574968730 949906730 /nfs/dbraw/zinc/90/67/30/949906730.db2.gz RWDSZVUAOZWTTG-LBPRGKRZSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484872 949908345 /nfs/dbraw/zinc/90/83/45/949908345.db2.gz QJUVTJIEGLSAKD-JSGCOSHPSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484872 949908376 /nfs/dbraw/zinc/90/83/76/949908376.db2.gz QJUVTJIEGLSAKD-JSGCOSHPSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484873 949909152 /nfs/dbraw/zinc/90/91/52/949909152.db2.gz QJUVTJIEGLSAKD-OCCSQVGLSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484873 949909164 /nfs/dbraw/zinc/90/91/64/949909164.db2.gz QJUVTJIEGLSAKD-OCCSQVGLSA-N 0 3 386.460 0.394 20 0 GCADHN C[C@@H](C[NH2+][C@@H](C)C(=O)N1CCC(C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576179357 949914186 /nfs/dbraw/zinc/91/41/86/949914186.db2.gz KZYUMZLVHROXLI-STQMWFEESA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574725940 949921277 /nfs/dbraw/zinc/92/12/77/949921277.db2.gz DNQFGIPUZFECJC-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574725940 949921297 /nfs/dbraw/zinc/92/12/97/949921297.db2.gz DNQFGIPUZFECJC-AWEZNQCLSA-N 0 3 385.472 0.816 20 0 GCADHN C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574726311 949933806 /nfs/dbraw/zinc/93/38/06/949933806.db2.gz IDHKQXDWXROPGP-JSGCOSHPSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574726315 949936452 /nfs/dbraw/zinc/93/64/52/949936452.db2.gz IDHKQXDWXROPGP-TZMCWYRMSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574972504 949940886 /nfs/dbraw/zinc/94/08/86/949940886.db2.gz CGENHLGKYVIOCI-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574972504 949940913 /nfs/dbraw/zinc/94/09/13/949940913.db2.gz CGENHLGKYVIOCI-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001574972504 949940923 /nfs/dbraw/zinc/94/09/23/949940923.db2.gz CGENHLGKYVIOCI-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001574972504 949940941 /nfs/dbraw/zinc/94/09/41/949940941.db2.gz CGENHLGKYVIOCI-JSGCOSHPSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574726928 949949865 /nfs/dbraw/zinc/94/98/65/949949865.db2.gz MQHXOOKLADYMKE-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574726928 949949881 /nfs/dbraw/zinc/94/98/81/949949881.db2.gz MQHXOOKLADYMKE-ZDUSSCGKSA-N 0 3 386.460 0.219 20 0 GCADHN C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574726925 949950134 /nfs/dbraw/zinc/95/01/34/949950134.db2.gz MMWNKGIVTQKLIH-WMLDXEAASA-N 0 3 388.472 0.999 20 0 GCADHN C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574726925 949950154 /nfs/dbraw/zinc/95/01/54/949950154.db2.gz MMWNKGIVTQKLIH-WMLDXEAASA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574727298 949959759 /nfs/dbraw/zinc/95/97/59/949959759.db2.gz RLZHDNYBXHZKRL-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574727298 949959781 /nfs/dbraw/zinc/95/97/81/949959781.db2.gz RLZHDNYBXHZKRL-CYBMUJFWSA-N 0 3 388.476 0.631 20 0 GCADHN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575286384 949981297 /nfs/dbraw/zinc/98/12/97/949981297.db2.gz VUIZSMNGFQNSNH-VXGBXAGGSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575286384 949981320 /nfs/dbraw/zinc/98/13/20/949981320.db2.gz VUIZSMNGFQNSNH-VXGBXAGGSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576180956 949981364 /nfs/dbraw/zinc/98/13/64/949981364.db2.gz GEDKJHHCIUMPBZ-QWHCGFSZSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576180956 949981385 /nfs/dbraw/zinc/98/13/85/949981385.db2.gz GEDKJHHCIUMPBZ-QWHCGFSZSA-N 0 3 388.476 0.361 20 0 GCADHN C[C@H](CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)C[C@H](C)NC(N)=O ZINC001574490462 949994765 /nfs/dbraw/zinc/99/47/65/949994765.db2.gz SFNZOYRCHDTOFN-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CC[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)C[C@H](C)NC(N)=O ZINC001574490462 949994781 /nfs/dbraw/zinc/99/47/81/949994781.db2.gz SFNZOYRCHDTOFN-MNOVXSKESA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1ccnc1 ZINC001574490420 949995272 /nfs/dbraw/zinc/99/52/72/949995272.db2.gz RGNONSIAINFISQ-WBMJQRKESA-N 0 3 381.444 0.838 20 0 GCADHN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574974701 949998904 /nfs/dbraw/zinc/99/89/04/949998904.db2.gz RYJWPHTULISGSH-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574974701 949998924 /nfs/dbraw/zinc/99/89/24/949998924.db2.gz RYJWPHTULISGSH-IUODEOHRSA-N 0 3 388.476 0.644 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574729086 950018861 /nfs/dbraw/zinc/01/88/61/950018861.db2.gz NKGJMTIHSOSGBA-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574729086 950018886 /nfs/dbraw/zinc/01/88/86/950018886.db2.gz NKGJMTIHSOSGBA-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Cn1ncnn1 ZINC001574150237 950023528 /nfs/dbraw/zinc/02/35/28/950023528.db2.gz AQFZVUKOYHJOIX-HNNXBMFYSA-N 0 3 384.448 0.174 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Cn1ncnn1 ZINC001574150237 950023546 /nfs/dbraw/zinc/02/35/46/950023546.db2.gz AQFZVUKOYHJOIX-HNNXBMFYSA-N 0 3 384.448 0.174 20 0 GCADHN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575574900 950038531 /nfs/dbraw/zinc/03/85/31/950038531.db2.gz BJYRFFNSWZYVHH-GFCCVEGCSA-N 0 3 380.399 0.869 20 0 GCADHN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575574900 950038552 /nfs/dbraw/zinc/03/85/52/950038552.db2.gz BJYRFFNSWZYVHH-GFCCVEGCSA-N 0 3 380.399 0.869 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1cnn(C)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574731000 950043190 /nfs/dbraw/zinc/04/31/90/950043190.db2.gz VETGZOCKURCPAY-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CN(C)C(=O)Cc1cnn(C)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574731000 950043209 /nfs/dbraw/zinc/04/32/09/950043209.db2.gz VETGZOCKURCPAY-LBPRGKRZSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCCOC1 ZINC001575575280 950050811 /nfs/dbraw/zinc/05/08/11/950050811.db2.gz IDAYEDHARHZQBK-KBXCAEBGSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCCOC1 ZINC001575575280 950050834 /nfs/dbraw/zinc/05/08/34/950050834.db2.gz IDAYEDHARHZQBK-KBXCAEBGSA-N 0 3 392.435 0.389 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574151033 950051950 /nfs/dbraw/zinc/05/19/50/950051950.db2.gz JUIIGQPCERLHIJ-XHSDSOJGSA-N 0 3 385.472 0.609 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574151033 950051976 /nfs/dbraw/zinc/05/19/76/950051976.db2.gz JUIIGQPCERLHIJ-XHSDSOJGSA-N 0 3 385.472 0.609 20 0 GCADHN CC1CCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001576182459 950055572 /nfs/dbraw/zinc/05/55/72/950055572.db2.gz MAGVSQLHTFMVBQ-HDJSIYSDSA-N 0 3 386.460 0.304 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574976282 950067353 /nfs/dbraw/zinc/06/73/53/950067353.db2.gz PEMZNIHNVMVPKD-ZDUSSCGKSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCC[NH+]1CCCCC1 ZINC001574976282 950067370 /nfs/dbraw/zinc/06/73/70/950067370.db2.gz PEMZNIHNVMVPKD-ZDUSSCGKSA-N 0 3 388.476 0.695 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575892535 950073271 /nfs/dbraw/zinc/07/32/71/950073271.db2.gz XQWRXHNBIFQYOY-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575892535 950073294 /nfs/dbraw/zinc/07/32/94/950073294.db2.gz XQWRXHNBIFQYOY-OLZOCXBDSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574732790 950076671 /nfs/dbraw/zinc/07/66/71/950076671.db2.gz KRPYYFLXRQCWDU-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574732790 950076692 /nfs/dbraw/zinc/07/66/92/950076692.db2.gz KRPYYFLXRQCWDU-CQSZACIVSA-N 0 3 381.440 0.665 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575892537 950076830 /nfs/dbraw/zinc/07/68/30/950076830.db2.gz XQWRXHNBIFQYOY-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)CCC[NH+](C)C ZINC001575892537 950076851 /nfs/dbraw/zinc/07/68/51/950076851.db2.gz XQWRXHNBIFQYOY-STQMWFEESA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183293 950078226 /nfs/dbraw/zinc/07/82/26/950078226.db2.gz PCMMGIBMECAWLL-KGLIPLIRSA-N 0 3 385.476 0.649 20 0 GCADHN CC(C)C[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151479 950078623 /nfs/dbraw/zinc/07/86/23/950078623.db2.gz SOBMYBNZULMRBN-YPMHNXCESA-N 0 3 376.465 0.406 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574732955 950086561 /nfs/dbraw/zinc/08/65/61/950086561.db2.gz NRIHZVSNSKQALZ-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574732955 950086581 /nfs/dbraw/zinc/08/65/81/950086581.db2.gz NRIHZVSNSKQALZ-NHYWBVRUSA-N 0 3 389.435 0.563 20 0 GCADHN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575577954 950088522 /nfs/dbraw/zinc/08/85/22/950088522.db2.gz ZAUVYKYQXGDGAZ-ZDUSSCGKSA-N 0 3 392.435 0.389 20 0 GCADHN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575577954 950088536 /nfs/dbraw/zinc/08/85/36/950088536.db2.gz ZAUVYKYQXGDGAZ-ZDUSSCGKSA-N 0 3 392.435 0.389 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001574976795 950099747 /nfs/dbraw/zinc/09/97/47/950099747.db2.gz AVDLQDWDDSTEQW-YPMHNXCESA-N 0 3 383.412 0.743 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1cn(C)nn1 ZINC001574152366 950100144 /nfs/dbraw/zinc/10/01/44/950100144.db2.gz APWKLRZUQAAPKO-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1cn(C)nn1 ZINC001574152366 950100163 /nfs/dbraw/zinc/10/01/63/950100163.db2.gz APWKLRZUQAAPKO-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(N)=O ZINC001574152610 950113335 /nfs/dbraw/zinc/11/33/35/950113335.db2.gz HKHWICQGMGISJW-JSGCOSHPSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(N)=O ZINC001574152610 950113346 /nfs/dbraw/zinc/11/33/46/950113346.db2.gz HKHWICQGMGISJW-JSGCOSHPSA-N 0 3 388.476 0.544 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1ncn(C)n1 ZINC001574152728 950117992 /nfs/dbraw/zinc/11/79/92/950117992.db2.gz ITFMQNLAGIKBMK-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1ncn(C)n1 ZINC001574152728 950118011 /nfs/dbraw/zinc/11/80/11/950118011.db2.gz ITFMQNLAGIKBMK-OAHLLOKOSA-N 0 3 383.460 0.930 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574734230 950132743 /nfs/dbraw/zinc/13/27/43/950132743.db2.gz KZHDLZLIQRYCJC-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574734230 950132764 /nfs/dbraw/zinc/13/27/64/950132764.db2.gz KZHDLZLIQRYCJC-QMTHXVAHSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC001576184960 950144642 /nfs/dbraw/zinc/14/46/42/950144642.db2.gz ZAQHUDUPIWUSRW-CHWSQXEVSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574493932 950146092 /nfs/dbraw/zinc/14/60/92/950146092.db2.gz VLTUANKTTZNAAC-NUYPLMSZSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574493932 950146113 /nfs/dbraw/zinc/14/61/13/950146113.db2.gz VLTUANKTTZNAAC-NUYPLMSZSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574734870 950148982 /nfs/dbraw/zinc/14/89/82/950148982.db2.gz TUFMDACRYXALLS-XHDPSFHLSA-N 0 3 389.435 0.611 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574153547 950149084 /nfs/dbraw/zinc/14/90/84/950149084.db2.gz VAJUJBWXIYMXJF-HIFRSBDPSA-N 0 3 386.460 0.169 20 0 GCADHN CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574153547 950149095 /nfs/dbraw/zinc/14/90/95/950149095.db2.gz VAJUJBWXIYMXJF-HIFRSBDPSA-N 0 3 386.460 0.169 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191050 950183942 /nfs/dbraw/zinc/18/39/42/950183942.db2.gz DDNMNBQLPXCAIU-CYBMUJFWSA-N 0 3 387.492 0.895 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576191050 950183954 /nfs/dbraw/zinc/18/39/54/950183954.db2.gz DDNMNBQLPXCAIU-CYBMUJFWSA-N 0 3 387.492 0.895 20 0 GCADHN C[C@@H](CC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)n1ccnc1 ZINC001574494842 950188606 /nfs/dbraw/zinc/18/86/06/950188606.db2.gz PDJCRGLVDHKHLZ-LRDDRELGSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576191981 950217416 /nfs/dbraw/zinc/21/74/16/950217416.db2.gz JHFIZPVIVRDPPQ-ZDUSSCGKSA-N 0 3 388.476 0.457 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576191981 950217433 /nfs/dbraw/zinc/21/74/33/950217433.db2.gz JHFIZPVIVRDPPQ-ZDUSSCGKSA-N 0 3 388.476 0.457 20 0 GCADHN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@H+](C)C(C)C ZINC001574156035 950222168 /nfs/dbraw/zinc/22/21/68/950222168.db2.gz UVMJLRNZYVWWRH-ZDUSSCGKSA-N 0 3 375.481 0.940 20 0 GCADHN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[N@@H+](C)C(C)C ZINC001574156035 950222182 /nfs/dbraw/zinc/22/21/82/950222182.db2.gz UVMJLRNZYVWWRH-ZDUSSCGKSA-N 0 3 375.481 0.940 20 0 GCADHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)N1CCCCC1 ZINC001574983547 950226925 /nfs/dbraw/zinc/22/69/25/950226925.db2.gz PHRYVYORXOUTTC-CHWSQXEVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)N1CCCCC1 ZINC001574983547 950226941 /nfs/dbraw/zinc/22/69/41/950226941.db2.gz PHRYVYORXOUTTC-CHWSQXEVSA-N 0 3 388.476 0.551 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)C1=COCCO1 ZINC001575901308 950228605 /nfs/dbraw/zinc/22/86/05/950228605.db2.gz NHTLTTAGPAKTQC-NHYWBVRUSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)C1=COCCO1 ZINC001575901308 950228621 /nfs/dbraw/zinc/22/86/21/950228621.db2.gz NHTLTTAGPAKTQC-NHYWBVRUSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@H](CC(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)NC(N)=O ZINC001574497697 950239429 /nfs/dbraw/zinc/23/94/29/950239429.db2.gz BEMQHKAETYSOJV-NUYPLMSZSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)NC(N)=O ZINC001574497697 950239436 /nfs/dbraw/zinc/23/94/36/950239436.db2.gz BEMQHKAETYSOJV-NUYPLMSZSA-N 0 3 386.460 0.298 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573846109 950244375 /nfs/dbraw/zinc/24/43/75/950244375.db2.gz OBUKCXVACDKIRD-UHFFFAOYSA-N 0 3 388.476 0.455 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573846983 950252960 /nfs/dbraw/zinc/25/29/60/950252960.db2.gz XABBZFWHSQPNKS-GFCCVEGCSA-N 0 3 388.476 0.409 20 0 GCADHN CC(C)(C)CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573846983 950252981 /nfs/dbraw/zinc/25/29/81/950252981.db2.gz XABBZFWHSQPNKS-GFCCVEGCSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]CC(=O)NCC(C)(C)C)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575902308 950256270 /nfs/dbraw/zinc/25/62/70/950256270.db2.gz UOFLPIPGWULGJJ-YPMHNXCESA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574741835 950260494 /nfs/dbraw/zinc/26/04/94/950260494.db2.gz DWDRSFLYPCVDCZ-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574741835 950260511 /nfs/dbraw/zinc/26/05/11/950260511.db2.gz DWDRSFLYPCVDCZ-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001574741835 950260533 /nfs/dbraw/zinc/26/05/33/950260533.db2.gz DWDRSFLYPCVDCZ-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001574741835 950260552 /nfs/dbraw/zinc/26/05/52/950260552.db2.gz DWDRSFLYPCVDCZ-GXTWGEPZSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H]1[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)CCNC(N)=O ZINC001575902916 950271398 /nfs/dbraw/zinc/27/13/98/950271398.db2.gz YIQBNELBUDNSDX-HZMBPMFUSA-N 0 3 390.423 0.143 20 0 GCADHN C[C@H](CC(=O)NCC1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574498296 950272507 /nfs/dbraw/zinc/27/25/07/950272507.db2.gz LYBFWEPOKNNDDH-NUYPLMSZSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H](CC(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574498296 950272537 /nfs/dbraw/zinc/27/25/37/950272537.db2.gz LYBFWEPOKNNDDH-NUYPLMSZSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576193255 950292710 /nfs/dbraw/zinc/29/27/10/950292710.db2.gz TZQQRORXPDWAKJ-TZMCWYRMSA-N 0 3 386.460 0.115 20 0 GCADHN C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001576193255 950292724 /nfs/dbraw/zinc/29/27/24/950292724.db2.gz TZQQRORXPDWAKJ-TZMCWYRMSA-N 0 3 386.460 0.115 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573851561 950295751 /nfs/dbraw/zinc/29/57/51/950295751.db2.gz ZWQRKSHGWUNSEW-AAEUAGOBSA-N 0 3 388.476 0.598 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573851570 950296997 /nfs/dbraw/zinc/29/69/97/950296997.db2.gz ZWQRKSHGWUNSEW-YPMHNXCESA-N 0 3 388.476 0.598 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC001574987628 950298426 /nfs/dbraw/zinc/29/84/26/950298426.db2.gz GLPZYWDZAMVDKS-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC001574987628 950298446 /nfs/dbraw/zinc/29/84/46/950298446.db2.gz GLPZYWDZAMVDKS-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@H+](C)C[C@@H](O)CC(F)(F)F ZINC001574987628 950298463 /nfs/dbraw/zinc/29/84/63/950298463.db2.gz GLPZYWDZAMVDKS-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC001574987628 950298480 /nfs/dbraw/zinc/29/84/80/950298480.db2.gz GLPZYWDZAMVDKS-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574987811 950301754 /nfs/dbraw/zinc/30/17/54/950301754.db2.gz HORHROWSLFOXFD-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574987811 950301775 /nfs/dbraw/zinc/30/17/75/950301775.db2.gz HORHROWSLFOXFD-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574987811 950301793 /nfs/dbraw/zinc/30/17/93/950301793.db2.gz HORHROWSLFOXFD-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC001574987811 950301813 /nfs/dbraw/zinc/30/18/13/950301813.db2.gz HORHROWSLFOXFD-XJKSGUPXSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576193705 950310798 /nfs/dbraw/zinc/31/07/98/950310798.db2.gz VLFOVHRXATWXLM-CYBMUJFWSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576193705 950310820 /nfs/dbraw/zinc/31/08/20/950310820.db2.gz VLFOVHRXATWXLM-CYBMUJFWSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCCC(N)=O ZINC001575906521 950317764 /nfs/dbraw/zinc/31/77/64/950317764.db2.gz ISDBRDJUDFKTCP-NHYWBVRUSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCCC(N)=O ZINC001575906521 950317786 /nfs/dbraw/zinc/31/77/86/950317786.db2.gz ISDBRDJUDFKTCP-NHYWBVRUSA-N 0 3 389.435 0.740 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)Cc1cncn1C ZINC001575906964 950319851 /nfs/dbraw/zinc/31/98/51/950319851.db2.gz LFDJZFWHNNPYCJ-DYVFJYSZSA-N 0 3 380.456 0.922 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574743595 950329580 /nfs/dbraw/zinc/32/95/80/950329580.db2.gz UWLZWCCAEGJXAE-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574743595 950329603 /nfs/dbraw/zinc/32/96/03/950329603.db2.gz UWLZWCCAEGJXAE-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574743595 950329623 /nfs/dbraw/zinc/32/96/23/950329623.db2.gz UWLZWCCAEGJXAE-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574743595 950329644 /nfs/dbraw/zinc/32/96/44/950329644.db2.gz UWLZWCCAEGJXAE-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575907602 950337021 /nfs/dbraw/zinc/33/70/21/950337021.db2.gz PJPMKSXCLMASIX-RISCZKNCSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575907602 950337043 /nfs/dbraw/zinc/33/70/43/950337043.db2.gz PJPMKSXCLMASIX-RISCZKNCSA-N 0 3 382.428 0.699 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001574988858 950349544 /nfs/dbraw/zinc/34/95/44/950349544.db2.gz WCVWNNLJTHRCJD-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001574988858 950349566 /nfs/dbraw/zinc/34/95/66/950349566.db2.gz WCVWNNLJTHRCJD-LBPRGKRZSA-N 0 3 386.460 0.400 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575908251 950353945 /nfs/dbraw/zinc/35/39/45/950353945.db2.gz SZWMNUDEJDWVIH-SMDDNHRTSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575908251 950353962 /nfs/dbraw/zinc/35/39/62/950353962.db2.gz SZWMNUDEJDWVIH-SMDDNHRTSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576196196 950355694 /nfs/dbraw/zinc/35/56/94/950355694.db2.gz AFRMPAKWOBUVSY-KBPBESRZSA-N 0 3 385.476 0.792 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576196196 950355716 /nfs/dbraw/zinc/35/57/16/950355716.db2.gz AFRMPAKWOBUVSY-KBPBESRZSA-N 0 3 385.476 0.792 20 0 GCADHN CC(C)(C)N1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001573855142 950356564 /nfs/dbraw/zinc/35/65/64/950356564.db2.gz JSSUBMIPEYBVQY-JTNHKYCSSA-N 0 3 386.460 0.445 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573855425 950371219 /nfs/dbraw/zinc/37/12/19/950371219.db2.gz UIQNBQITLOBSTA-OLZOCXBDSA-N 0 3 388.476 0.740 20 0 GCADHN CC(C)(C)NC(=O)C[NH2+]C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573855434 950373332 /nfs/dbraw/zinc/37/33/32/950373332.db2.gz UOHVUTCYGHPQCL-UHFFFAOYSA-N 0 3 388.476 0.740 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)C1=COCCO1 ZINC001575908844 950376946 /nfs/dbraw/zinc/37/69/46/950376946.db2.gz WEEAHVCIMNOIJT-ABAIWWIYSA-N 0 3 388.403 0.973 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001576197259 950383925 /nfs/dbraw/zinc/38/39/25/950383925.db2.gz MFRKQCSNEAUVRM-GFCCVEGCSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001576197259 950383949 /nfs/dbraw/zinc/38/39/49/950383949.db2.gz MFRKQCSNEAUVRM-GFCCVEGCSA-N 0 3 386.460 0.257 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575909295 950391488 /nfs/dbraw/zinc/39/14/88/950391488.db2.gz YPESPMMZPBHQNX-WBMJQRKESA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575909295 950391507 /nfs/dbraw/zinc/39/15/07/950391507.db2.gz YPESPMMZPBHQNX-WBMJQRKESA-N 0 3 383.456 0.472 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576197907 950395690 /nfs/dbraw/zinc/39/56/90/950395690.db2.gz PLVZAOCJWMMQET-FZKQIMNGSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576197907 950395715 /nfs/dbraw/zinc/39/57/15/950395715.db2.gz PLVZAOCJWMMQET-FZKQIMNGSA-N 0 3 385.476 0.649 20 0 GCADHN C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574746740 950395820 /nfs/dbraw/zinc/39/58/20/950395820.db2.gz OSJWAONMFCBESU-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575909615 950403637 /nfs/dbraw/zinc/40/36/37/950403637.db2.gz ZSXCBHFBDQANFU-DYOCQVBASA-N 0 3 386.431 0.977 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575909615 950403657 /nfs/dbraw/zinc/40/36/57/950403657.db2.gz ZSXCBHFBDQANFU-DYOCQVBASA-N 0 3 386.431 0.977 20 0 GCADHN C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576198464 950409087 /nfs/dbraw/zinc/40/90/87/950409087.db2.gz TUBZRSFXZSUSSA-KGLIPLIRSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199449 950422638 /nfs/dbraw/zinc/42/26/38/950422638.db2.gz YWGYTMOGXUDKNX-ZIAGYGMSSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576199449 950422652 /nfs/dbraw/zinc/42/26/52/950422652.db2.gz YWGYTMOGXUDKNX-ZIAGYGMSSA-N 0 3 385.476 0.426 20 0 GCADHN C[C@H](CC(=O)NCCC[N@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574504057 950423124 /nfs/dbraw/zinc/42/31/24/950423124.db2.gz ZYMPFWLCHRMJMQ-LLVKDONJSA-N 0 3 392.439 0.391 20 0 GCADHN C[C@H](CC(=O)NCCC[N@@H+](C)Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574504057 950423138 /nfs/dbraw/zinc/42/31/38/950423138.db2.gz ZYMPFWLCHRMJMQ-LLVKDONJSA-N 0 3 392.439 0.391 20 0 GCADHN C[C@H](CC(=O)NCCC[N@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574504057 950423148 /nfs/dbraw/zinc/42/31/48/950423148.db2.gz ZYMPFWLCHRMJMQ-LLVKDONJSA-N 0 3 392.439 0.391 20 0 GCADHN C[C@H](CC(=O)NCCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574504057 950423152 /nfs/dbraw/zinc/42/31/52/950423152.db2.gz ZYMPFWLCHRMJMQ-LLVKDONJSA-N 0 3 392.439 0.391 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CCn1cncn1 ZINC001575910626 950426592 /nfs/dbraw/zinc/42/65/92/950426592.db2.gz MNPLWAAZCISGRR-CZUORRHYSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CCn1cncn1 ZINC001575910626 950426601 /nfs/dbraw/zinc/42/66/01/950426601.db2.gz MNPLWAAZCISGRR-CZUORRHYSA-N 0 3 381.444 0.628 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574506129 950429131 /nfs/dbraw/zinc/42/91/31/950429131.db2.gz BPCWDLOXGQJICU-OBJOEFQTSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574506129 950429144 /nfs/dbraw/zinc/42/91/44/950429144.db2.gz BPCWDLOXGQJICU-OBJOEFQTSA-N 0 3 386.460 0.298 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)NC2(CNc3cncc(-c4nnn[n-]4)n3)CCCC2)C1 ZINC001576204654 950467837 /nfs/dbraw/zinc/46/78/37/950467837.db2.gz QZTYBRJTABAWIP-ZDUSSCGKSA-N 0 3 385.476 0.839 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)NC2(CNc3cncc(-c4nnn[n-]4)n3)CCCC2)C1 ZINC001576204654 950467850 /nfs/dbraw/zinc/46/78/50/950467850.db2.gz QZTYBRJTABAWIP-ZDUSSCGKSA-N 0 3 385.476 0.839 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CN1CCOCC1 ZINC001575912932 950471518 /nfs/dbraw/zinc/47/15/18/950471518.db2.gz RULPLGCOMZQOPC-PBHICJAKSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CN1CCOCC1 ZINC001575912932 950471535 /nfs/dbraw/zinc/47/15/35/950471535.db2.gz RULPLGCOMZQOPC-PBHICJAKSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CN1CCOCC1 ZINC001575912938 950471571 /nfs/dbraw/zinc/47/15/71/950471571.db2.gz RULPLGCOMZQOPC-YOEHRIQHSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CN1CCOCC1 ZINC001575912938 950471589 /nfs/dbraw/zinc/47/15/89/950471589.db2.gz RULPLGCOMZQOPC-YOEHRIQHSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[NH+]1CCCCC1 ZINC001574752114 950473109 /nfs/dbraw/zinc/47/31/09/950473109.db2.gz TVXUDEVWQBWRQC-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[NH+]1CCCCC1 ZINC001574752114 950473118 /nfs/dbraw/zinc/47/31/18/950473118.db2.gz TVXUDEVWQBWRQC-CYBMUJFWSA-N 0 3 388.476 0.648 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204734 950474231 /nfs/dbraw/zinc/47/42/31/950474231.db2.gz BHFHUZBTDCVVCL-KGLIPLIRSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576204734 950474241 /nfs/dbraw/zinc/47/42/41/950474241.db2.gz BHFHUZBTDCVVCL-KGLIPLIRSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]C[C@H](O)COc1ccccc1 ZINC001574994457 950479241 /nfs/dbraw/zinc/47/92/41/950479241.db2.gz RKDBOYKMILUIQB-JSGCOSHPSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]C[C@H](O)COc1ccccc1 ZINC001574994457 950479252 /nfs/dbraw/zinc/47/92/52/950479252.db2.gz RKDBOYKMILUIQB-JSGCOSHPSA-N 0 3 385.428 0.343 20 0 GCADHN C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574508519 950481081 /nfs/dbraw/zinc/48/10/81/950481081.db2.gz PCIMTJAYWAJODO-IHRRRGAJSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)n1ccnc1 ZINC001574508527 950482960 /nfs/dbraw/zinc/48/29/60/950482960.db2.gz PCIMTJAYWAJODO-MGPQQGTHSA-N 0 3 381.444 0.838 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576204946 950489183 /nfs/dbraw/zinc/48/91/83/950489183.db2.gz SRADCVPMWYDUJZ-KBPBESRZSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576204946 950489191 /nfs/dbraw/zinc/48/91/91/950489191.db2.gz SRADCVPMWYDUJZ-KBPBESRZSA-N 0 3 385.476 0.474 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CN1CCOCC1 ZINC001575914735 950498699 /nfs/dbraw/zinc/49/86/99/950498699.db2.gz VURIENPSAOSUEJ-PBHICJAKSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CN1CCOCC1 ZINC001575914735 950498705 /nfs/dbraw/zinc/49/87/05/950498705.db2.gz VURIENPSAOSUEJ-PBHICJAKSA-N 0 3 385.472 0.278 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)[nH]n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574752976 950510537 /nfs/dbraw/zinc/51/05/37/950510537.db2.gz HNCDQNOKKMEYSG-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575608108 950510945 /nfs/dbraw/zinc/51/09/45/950510945.db2.gz MZNFESHZDPPGEF-KSMMKXTCSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575608108 950510967 /nfs/dbraw/zinc/51/09/67/950510967.db2.gz MZNFESHZDPPGEF-KSMMKXTCSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574995698 950515768 /nfs/dbraw/zinc/51/57/68/950515768.db2.gz GXXJFLJGFJTYQR-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574995698 950515785 /nfs/dbraw/zinc/51/57/85/950515785.db2.gz GXXJFLJGFJTYQR-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574995698 950515804 /nfs/dbraw/zinc/51/58/04/950515804.db2.gz GXXJFLJGFJTYQR-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574995698 950515823 /nfs/dbraw/zinc/51/58/23/950515823.db2.gz GXXJFLJGFJTYQR-LBPRGKRZSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cnnn1 ZINC001575915950 950523076 /nfs/dbraw/zinc/52/30/76/950523076.db2.gz YJGPQDYTSYZPGQ-WFASDCNBSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cnnn1 ZINC001575915950 950523090 /nfs/dbraw/zinc/52/30/90/950523090.db2.gz YJGPQDYTSYZPGQ-WFASDCNBSA-N 0 3 382.432 0.023 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574753547 950531299 /nfs/dbraw/zinc/53/12/99/950531299.db2.gz PADWHDNQIKPNFX-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575916422 950540373 /nfs/dbraw/zinc/54/03/73/950540373.db2.gz ZODVJXIXYCDUIA-SMDDNHRTSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575916422 950540402 /nfs/dbraw/zinc/54/04/02/950540402.db2.gz ZODVJXIXYCDUIA-SMDDNHRTSA-N 0 3 380.412 0.343 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001574753990 950553231 /nfs/dbraw/zinc/55/32/31/950553231.db2.gz JIJKVPDUFGATNX-IUCAKERBSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@@H](O)CC(F)(F)F ZINC001574753990 950553246 /nfs/dbraw/zinc/55/32/46/950553246.db2.gz JIJKVPDUFGATNX-IUCAKERBSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576206658 950579222 /nfs/dbraw/zinc/57/92/22/950579222.db2.gz YPQMBFLWYUZSPD-ZIAGYGMSSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001576206658 950579243 /nfs/dbraw/zinc/57/92/43/950579243.db2.gz YPQMBFLWYUZSPD-ZIAGYGMSSA-N 0 3 385.476 0.331 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574754825 950585274 /nfs/dbraw/zinc/58/52/74/950585274.db2.gz QYQAXWPYYZBMIO-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574754825 950585293 /nfs/dbraw/zinc/58/52/93/950585293.db2.gz QYQAXWPYYZBMIO-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001574754825 950585309 /nfs/dbraw/zinc/58/53/09/950585309.db2.gz QYQAXWPYYZBMIO-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001574754825 950585324 /nfs/dbraw/zinc/58/53/24/950585324.db2.gz QYQAXWPYYZBMIO-AGIUHOORSA-N 0 3 388.476 0.502 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575000025 950588884 /nfs/dbraw/zinc/58/88/84/950588884.db2.gz OHSFQNWQFPYVDR-SECBINFHSA-N 0 3 386.391 0.341 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)C1 ZINC001576207717 950599786 /nfs/dbraw/zinc/59/97/86/950599786.db2.gz IWGNPBFQCMBBCE-SYQHCUMBSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)C1 ZINC001576207717 950599802 /nfs/dbraw/zinc/59/98/02/950599802.db2.gz IWGNPBFQCMBBCE-SYQHCUMBSA-N 0 3 383.460 0.224 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC001574756324 950604292 /nfs/dbraw/zinc/60/42/92/950604292.db2.gz ZAHZZIMOJWSHSA-UKRRQHHQSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC001574756324 950604304 /nfs/dbraw/zinc/60/43/04/950604304.db2.gz ZAHZZIMOJWSHSA-UKRRQHHQSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575002175 950654398 /nfs/dbraw/zinc/65/43/98/950654398.db2.gz ZWTCTIDNKSTZAB-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575002178 950655502 /nfs/dbraw/zinc/65/55/02/950655502.db2.gz ZWTCTIDNKSTZAB-NSHDSACASA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574760566 950669125 /nfs/dbraw/zinc/66/91/25/950669125.db2.gz JHZPPLLMDNIRAJ-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574760566 950669138 /nfs/dbraw/zinc/66/91/38/950669138.db2.gz JHZPPLLMDNIRAJ-GFCCVEGCSA-N 0 3 384.444 0.154 20 0 GCADHN C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576214601 950677600 /nfs/dbraw/zinc/67/76/00/950677600.db2.gz QPHJQLJCKWOZIA-MGPQQGTHSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576214601 950677609 /nfs/dbraw/zinc/67/76/09/950677609.db2.gz QPHJQLJCKWOZIA-MGPQQGTHSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576216002 950718653 /nfs/dbraw/zinc/71/86/53/950718653.db2.gz XTWIIYVBSNIOSB-IHRRRGAJSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576216002 950718673 /nfs/dbraw/zinc/71/86/73/950718673.db2.gz XTWIIYVBSNIOSB-IHRRRGAJSA-N 0 3 385.476 0.838 20 0 GCADHN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncn1C ZINC001575926777 950723198 /nfs/dbraw/zinc/72/31/98/950723198.db2.gz LVWSNIQFZGYPDG-WFASDCNBSA-N 0 3 381.444 0.451 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575006904 950728635 /nfs/dbraw/zinc/72/86/35/950728635.db2.gz XTVGCDZVRCDLEK-GFCCVEGCSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575006904 950728651 /nfs/dbraw/zinc/72/86/51/950728651.db2.gz XTVGCDZVRCDLEK-GFCCVEGCSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575006904 950728661 /nfs/dbraw/zinc/72/86/61/950728661.db2.gz XTVGCDZVRCDLEK-GFCCVEGCSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575006904 950728692 /nfs/dbraw/zinc/72/86/92/950728692.db2.gz XTVGCDZVRCDLEK-GFCCVEGCSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)Cn1ncnn1 ZINC001574520930 950758360 /nfs/dbraw/zinc/75/83/60/950758360.db2.gz BFEBHGWDGXQWTM-QWRGUYRKSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CN1CCCC1=O ZINC001574520883 950758659 /nfs/dbraw/zinc/75/86/59/950758659.db2.gz ASWCONNAPUAVKI-ZIAGYGMSSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CN1CCCC1=O ZINC001574520883 950758673 /nfs/dbraw/zinc/75/86/73/950758673.db2.gz ASWCONNAPUAVKI-ZIAGYGMSSA-N 0 3 385.472 0.862 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001575008983 950764487 /nfs/dbraw/zinc/76/44/87/950764487.db2.gz LOSYBBFEADUWCS-FZMZJTMJSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574521044 950765171 /nfs/dbraw/zinc/76/51/71/950765171.db2.gz CPJJBHWYCKLDSH-NEPJUHHUSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1CS(=O)(=O)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574521044 950765192 /nfs/dbraw/zinc/76/51/92/950765192.db2.gz CPJJBHWYCKLDSH-NEPJUHHUSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001575008985 950766435 /nfs/dbraw/zinc/76/64/35/950766435.db2.gz LOSYBBFEADUWCS-SMDDNHRTSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)Cn1ncnn1 ZINC001574521096 950771577 /nfs/dbraw/zinc/77/15/77/950771577.db2.gz DCKSHTYLVCNOLD-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)Cn1ncnn1 ZINC001574521096 950771592 /nfs/dbraw/zinc/77/15/92/950771592.db2.gz DCKSHTYLVCNOLD-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)Cn1ncnn1 ZINC001574521329 950773665 /nfs/dbraw/zinc/77/36/65/950773665.db2.gz FLWWFKMUGNNPPV-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(=O)Cn1ncnn1 ZINC001574521329 950773676 /nfs/dbraw/zinc/77/36/76/950773676.db2.gz FLWWFKMUGNNPPV-GHMZBOCLSA-N 0 3 388.411 0.065 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574521360 950776759 /nfs/dbraw/zinc/77/67/59/950776759.db2.gz FSBRKDHMPWYCLS-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574521360 950776768 /nfs/dbraw/zinc/77/67/68/950776768.db2.gz FSBRKDHMPWYCLS-NEPJUHHUSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575009610 950795203 /nfs/dbraw/zinc/79/52/03/950795203.db2.gz VNXVJOVRSZTKMV-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575009610 950795217 /nfs/dbraw/zinc/79/52/17/950795217.db2.gz VNXVJOVRSZTKMV-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575009610 950795227 /nfs/dbraw/zinc/79/52/27/950795227.db2.gz VNXVJOVRSZTKMV-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575009610 950795241 /nfs/dbraw/zinc/79/52/41/950795241.db2.gz VNXVJOVRSZTKMV-CHWSQXEVSA-N 0 3 388.476 0.646 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)Cn1cncn1 ZINC001574522549 950796928 /nfs/dbraw/zinc/79/69/28/950796928.db2.gz KQSXSPYAOKUFII-RYUDHWBXSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)Cn1cncn1 ZINC001574522549 950796946 /nfs/dbraw/zinc/79/69/46/950796946.db2.gz KQSXSPYAOKUFII-RYUDHWBXSA-N 0 3 387.423 0.670 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523148 950806041 /nfs/dbraw/zinc/80/60/41/950806041.db2.gz MIRYCNAGEYJQCL-RYUDHWBXSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C1CS(=O)(=O)C1 ZINC001574523148 950806057 /nfs/dbraw/zinc/80/60/57/950806057.db2.gz MIRYCNAGEYJQCL-RYUDHWBXSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)CNC(=O)C1CC1 ZINC001574523449 950815275 /nfs/dbraw/zinc/81/52/75/950815275.db2.gz NSCYISVFUHJUIJ-STQMWFEESA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)CNC(=O)C1CC1 ZINC001574523449 950815292 /nfs/dbraw/zinc/81/52/92/950815292.db2.gz NSCYISVFUHJUIJ-STQMWFEESA-N 0 3 385.472 0.766 20 0 GCADHN C[C@@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574523658 950826742 /nfs/dbraw/zinc/82/67/42/950826742.db2.gz OWZIECGXKRGSQG-RYUDHWBXSA-N 0 3 388.476 0.550 20 0 GCADHN C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001576220105 950827822 /nfs/dbraw/zinc/82/78/22/950827822.db2.gz QJZCYJDBLAVYPI-PWSUYJOCSA-N 0 3 375.408 0.065 20 0 GCADHN C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001576220105 950827845 /nfs/dbraw/zinc/82/78/45/950827845.db2.gz QJZCYJDBLAVYPI-PWSUYJOCSA-N 0 3 375.408 0.065 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)NC(=O)CCNC(N)=O ZINC001574524703 950866378 /nfs/dbraw/zinc/86/63/78/950866378.db2.gz YPNNMBIFGOGEBJ-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)CCNC(N)=O ZINC001574524703 950866395 /nfs/dbraw/zinc/86/63/95/950866395.db2.gz YPNNMBIFGOGEBJ-WDEREUQCSA-N 0 3 392.439 0.437 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001575011979 950872258 /nfs/dbraw/zinc/87/22/58/950872258.db2.gz VBKBVRLVASHPHE-ZFWWWQNUSA-N 0 3 383.456 0.849 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001575011979 950872280 /nfs/dbraw/zinc/87/22/80/950872280.db2.gz VBKBVRLVASHPHE-ZFWWWQNUSA-N 0 3 383.456 0.849 20 0 GCADHN CC1(C)CC(C[NH+]2CCN(CCNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001575639640 950877198 /nfs/dbraw/zinc/87/71/98/950877198.db2.gz VDCMPWWCDWQPRC-UHFFFAOYSA-N 0 3 386.504 0.978 20 0 GCADHN CC1(C)CC(C[NH+]2CCN(CCNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001575639640 950877213 /nfs/dbraw/zinc/87/72/13/950877213.db2.gz VDCMPWWCDWQPRC-UHFFFAOYSA-N 0 3 386.504 0.978 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)CCNC(=O)NC(C)(C)C ZINC001575012573 950888639 /nfs/dbraw/zinc/88/86/39/950888639.db2.gz ZUFDAOXRBDYWGB-NSHDSACASA-N 0 3 391.480 0.343 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574527476 950891153 /nfs/dbraw/zinc/89/11/53/950891153.db2.gz CERWZDCOJVAJHW-NEPJUHHUSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574527476 950891170 /nfs/dbraw/zinc/89/11/70/950891170.db2.gz CERWZDCOJVAJHW-NEPJUHHUSA-N 0 3 383.460 0.869 20 0 GCADHN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576227088 950900053 /nfs/dbraw/zinc/90/00/53/950900053.db2.gz BITNPRTXVGLYDX-OLZOCXBDSA-N 0 3 385.476 0.647 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)c1cnnn1C ZINC001574528568 950934929 /nfs/dbraw/zinc/93/49/29/950934929.db2.gz NJMJZGGGZAKDSY-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)c1cnnn1C ZINC001574528568 950934945 /nfs/dbraw/zinc/93/49/45/950934945.db2.gz NJMJZGGGZAKDSY-GHMZBOCLSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)c1cnnn1C ZINC001574528572 950935290 /nfs/dbraw/zinc/93/52/90/950935290.db2.gz NJMJZGGGZAKDSY-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)c1cnnn1C ZINC001574528572 950935313 /nfs/dbraw/zinc/93/53/13/950935313.db2.gz NJMJZGGGZAKDSY-QWRGUYRKSA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001575015702 950943009 /nfs/dbraw/zinc/94/30/09/950943009.db2.gz VANAVZHBFCJGAJ-GFCCVEGCSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001575015702 950943031 /nfs/dbraw/zinc/94/30/31/950943031.db2.gz VANAVZHBFCJGAJ-GFCCVEGCSA-N 0 3 388.476 0.694 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnn(C)n1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574530026 950968913 /nfs/dbraw/zinc/96/89/13/950968913.db2.gz SKXWTAKOLWTDDZ-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cnn(C)n1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574530026 950968937 /nfs/dbraw/zinc/96/89/37/950968937.db2.gz SKXWTAKOLWTDDZ-MNOVXSKESA-N 0 3 387.423 0.821 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001574530341 950978827 /nfs/dbraw/zinc/97/88/27/950978827.db2.gz BVNMAUGJAHHIJH-NEPJUHHUSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001574530341 950978847 /nfs/dbraw/zinc/97/88/47/950978847.db2.gz BVNMAUGJAHHIJH-NEPJUHHUSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574530652 950992057 /nfs/dbraw/zinc/99/20/57/950992057.db2.gz DCNKMHADQXPVQW-RYUDHWBXSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@@H](C[C@H](C)[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530652 950992067 /nfs/dbraw/zinc/99/20/67/950992067.db2.gz DCNKMHADQXPVQW-RYUDHWBXSA-N 0 3 384.444 0.580 20 0 GCADHN C[C@H](C[C@H](C)[NH2+]CC(=O)NCC(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530671 950992276 /nfs/dbraw/zinc/99/22/76/950992276.db2.gz DHLJDTJOEQZINU-NWDGAFQWSA-N 0 3 390.492 0.844 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCC[NH+](C)C ZINC001574530886 951003913 /nfs/dbraw/zinc/00/39/13/951003913.db2.gz DJZCDSIJLAEUSB-NEPJUHHUSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCC[NH+](C)C ZINC001574530886 951003936 /nfs/dbraw/zinc/00/39/36/951003936.db2.gz DJZCDSIJLAEUSB-NEPJUHHUSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530887 951005931 /nfs/dbraw/zinc/00/59/31/951005931.db2.gz DJZCDSIJLAEUSB-NWDGAFQWSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530887 951005953 /nfs/dbraw/zinc/00/59/53/951005953.db2.gz DJZCDSIJLAEUSB-NWDGAFQWSA-N 0 3 376.465 0.550 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575018137 951014569 /nfs/dbraw/zinc/01/45/69/951014569.db2.gz LFRWQZQJBJXMQS-SECBINFHSA-N 0 3 386.391 0.341 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575018604 951023121 /nfs/dbraw/zinc/02/31/21/951023121.db2.gz MPTLDLSJPSAWKV-NSHDSACASA-N 0 3 385.403 0.613 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575022726 951069115 /nfs/dbraw/zinc/06/91/15/951069115.db2.gz IRSKYBBSZZPWOF-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575022726 951069130 /nfs/dbraw/zinc/06/91/30/951069130.db2.gz IRSKYBBSZZPWOF-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575022822 951073628 /nfs/dbraw/zinc/07/36/28/951073628.db2.gz KDCKEFJKSLSKMT-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575022822 951073641 /nfs/dbraw/zinc/07/36/41/951073641.db2.gz KDCKEFJKSLSKMT-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1ccc2nnnn2c1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575025850 951136077 /nfs/dbraw/zinc/13/60/77/951136077.db2.gz CDTUETSMAQZOKQ-LLVKDONJSA-N 0 3 378.400 0.213 20 0 GCADHN C[C@H](CNC(=O)c1cccnc1C(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575031660 951198266 /nfs/dbraw/zinc/19/82/66/951198266.db2.gz GGCUZAFRZRPJCZ-LLVKDONJSA-N 0 3 380.412 0.269 20 0 GCADHN C[C@H](CNC(=O)c1cnn(C)c1N)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575052770 951472394 /nfs/dbraw/zinc/47/23/94/951472394.db2.gz NYOAWUSXBNJIOE-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](CNC(=O)c1cnn(C)c1N)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575052770 951472403 /nfs/dbraw/zinc/47/24/03/951472403.db2.gz NYOAWUSXBNJIOE-SNVBAGLBSA-N 0 3 387.423 0.572 20 0 GCADHN C[C@H](CNC(=O)c1cnn2cc[nH]c12)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575055057 951499304 /nfs/dbraw/zinc/49/93/04/951499304.db2.gz MTCQOSMWFUOODB-SNVBAGLBSA-N 0 3 383.391 0.890 20 0 GCADHN C[C@H](CNC(=O)c1cnn2cc[nH]c12)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575055057 951499310 /nfs/dbraw/zinc/49/93/10/951499310.db2.gz MTCQOSMWFUOODB-SNVBAGLBSA-N 0 3 383.391 0.890 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ncccc1-c1nnn[n-]1 ZINC001575055657 951511463 /nfs/dbraw/zinc/51/14/63/951511463.db2.gz ZDYMVAZGQCMDFB-LBPRGKRZSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)Nc1ncccc1-c1nn[n-]n1 ZINC001575055657 951511467 /nfs/dbraw/zinc/51/14/67/951511467.db2.gz ZDYMVAZGQCMDFB-LBPRGKRZSA-N 0 3 384.448 0.250 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001575069660 951645063 /nfs/dbraw/zinc/64/50/63/951645063.db2.gz LKGNNYOWGYRNMU-STQMWFEESA-N 0 3 388.476 0.409 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC001575069660 951645067 /nfs/dbraw/zinc/64/50/67/951645067.db2.gz LKGNNYOWGYRNMU-STQMWFEESA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]CC(=O)N1CCCC[C@H]1C ZINC001575070165 951648896 /nfs/dbraw/zinc/64/88/96/951648896.db2.gz OQJLHGRQAAXDLV-CHWSQXEVSA-N 0 3 388.476 0.551 20 0 GCADHN CC(C)[C@H](C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575070528 951651668 /nfs/dbraw/zinc/65/16/68/951651668.db2.gz RCVJAKOFCYYMSE-RYUDHWBXSA-N 0 3 376.465 0.311 20 0 GCADHN CC(C)[C@@H](C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575070527 951651699 /nfs/dbraw/zinc/65/16/99/951651699.db2.gz RCVJAKOFCYYMSE-NWDGAFQWSA-N 0 3 376.465 0.311 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NCC(C)(C)C ZINC001575070562 951652076 /nfs/dbraw/zinc/65/20/76/951652076.db2.gz RMFUGZXBRCEMOG-LLVKDONJSA-N 0 3 376.465 0.313 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NCC(C)(C)C ZINC001575070562 951652079 /nfs/dbraw/zinc/65/20/79/951652079.db2.gz RMFUGZXBRCEMOG-LLVKDONJSA-N 0 3 376.465 0.313 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CC(=O)NCC(C)(C)C ZINC001575070563 951652394 /nfs/dbraw/zinc/65/23/94/951652394.db2.gz RMFUGZXBRCEMOG-NSHDSACASA-N 0 3 376.465 0.313 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CC(=O)NCC(C)(C)C ZINC001575070563 951652400 /nfs/dbraw/zinc/65/24/00/951652400.db2.gz RMFUGZXBRCEMOG-NSHDSACASA-N 0 3 376.465 0.313 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001575070712 951653723 /nfs/dbraw/zinc/65/37/23/951653723.db2.gz UKUZOAPUCVNYBV-OLZOCXBDSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC001575070711 951654396 /nfs/dbraw/zinc/65/43/96/951654396.db2.gz UKUZOAPUCVNYBV-CHWSQXEVSA-N 0 3 388.476 0.409 20 0 GCADHN C[C@H](C[NH2+][C@H]1CCN(C2CCC2)C1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575070914 951655680 /nfs/dbraw/zinc/65/56/80/951655680.db2.gz VRPXCRUSFVWYQO-RISCZKNCSA-N 0 3 386.460 0.398 20 0 GCADHN C[C@](C[NH2+]CC(=O)N1CCCC1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575070936 951655745 /nfs/dbraw/zinc/65/57/45/951655745.db2.gz WCOJQCYXWPEIBZ-GOSISDBHSA-N 0 3 386.460 0.305 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575077116 951661750 /nfs/dbraw/zinc/66/17/50/951661750.db2.gz CNMLIJGHUWKZEZ-HZMBPMFUSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077116 951661756 /nfs/dbraw/zinc/66/17/56/951661756.db2.gz CNMLIJGHUWKZEZ-HZMBPMFUSA-N 0 3 375.408 0.126 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575077317 951666313 /nfs/dbraw/zinc/66/63/13/951666313.db2.gz FOVWTASUVXWBHW-XJKSGUPXSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001575077317 951666320 /nfs/dbraw/zinc/66/63/20/951666320.db2.gz FOVWTASUVXWBHW-XJKSGUPXSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575077409 951667568 /nfs/dbraw/zinc/66/75/68/951667568.db2.gz CKYSQBRGEWUUKG-IINYFYTJSA-N 0 3 375.408 0.221 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575077434 951668986 /nfs/dbraw/zinc/66/89/86/951668986.db2.gz CPDYAJLMLZSQIP-RYUDHWBXSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077514 951671229 /nfs/dbraw/zinc/67/12/29/951671229.db2.gz FYXTVACXFZCTRT-JTQLQIEISA-N 0 3 387.423 0.477 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]CCOCC(F)(F)F ZINC001575078003 951676376 /nfs/dbraw/zinc/67/63/76/951676376.db2.gz JADKYDFNCZOSGN-VIFPVBQESA-N 0 3 375.355 0.729 20 0 GCADHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]CCOCC(F)(F)F ZINC001575078003 951676380 /nfs/dbraw/zinc/67/63/80/951676380.db2.gz JADKYDFNCZOSGN-VIFPVBQESA-N 0 3 375.355 0.729 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078445 951681015 /nfs/dbraw/zinc/68/10/15/951681015.db2.gz LSCUSYXXZKHBCT-BXUZGUMPSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078445 951681020 /nfs/dbraw/zinc/68/10/20/951681020.db2.gz LSCUSYXXZKHBCT-BXUZGUMPSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575078805 951684137 /nfs/dbraw/zinc/68/41/37/951684137.db2.gz ADIYAHMDKOJRGP-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575078805 951684142 /nfs/dbraw/zinc/68/41/42/951684142.db2.gz ADIYAHMDKOJRGP-AAEUAGOBSA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575078660 951684740 /nfs/dbraw/zinc/68/47/40/951684740.db2.gz LIMIFZGIMPRAEG-SMDDNHRTSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575078660 951684743 /nfs/dbraw/zinc/68/47/43/951684743.db2.gz LIMIFZGIMPRAEG-SMDDNHRTSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)NC(N)=O ZINC001575079260 951689417 /nfs/dbraw/zinc/68/94/17/951689417.db2.gz MVWXIXGITYQAHE-GHMZBOCLSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F)NC(N)=O ZINC001575079260 951689421 /nfs/dbraw/zinc/68/94/21/951689421.db2.gz MVWXIXGITYQAHE-GHMZBOCLSA-N 0 3 392.439 0.295 20 0 GCADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079315 951691003 /nfs/dbraw/zinc/69/10/03/951691003.db2.gz CSOFYAVCCAECSG-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079315 951691008 /nfs/dbraw/zinc/69/10/08/951691008.db2.gz CSOFYAVCCAECSG-JTQLQIEISA-N 0 3 386.391 0.657 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079510 951692880 /nfs/dbraw/zinc/69/28/80/951692880.db2.gz QFASXWDKGGXUOA-BLLLJJGKSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079510 951692888 /nfs/dbraw/zinc/69/28/88/951692888.db2.gz QFASXWDKGGXUOA-BLLLJJGKSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)Cc1cnn(C)c1 ZINC001575079741 951696189 /nfs/dbraw/zinc/69/61/89/951696189.db2.gz GDSQLMJIJVOIAU-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)Cc1cnn(C)c1 ZINC001575079741 951696192 /nfs/dbraw/zinc/69/61/92/951696192.db2.gz GDSQLMJIJVOIAU-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575080215 951706096 /nfs/dbraw/zinc/70/60/96/951706096.db2.gz PXYLNXMTBAKUPN-HIFRSBDPSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575080215 951706107 /nfs/dbraw/zinc/70/61/07/951706107.db2.gz PXYLNXMTBAKUPN-HIFRSBDPSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575080217 951706424 /nfs/dbraw/zinc/70/64/24/951706424.db2.gz PXYLNXMTBAKUPN-ZFWWWQNUSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001575080217 951706439 /nfs/dbraw/zinc/70/64/39/951706439.db2.gz PXYLNXMTBAKUPN-ZFWWWQNUSA-N 0 3 383.456 0.754 20 0 GCADHN C[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575080271 951708577 /nfs/dbraw/zinc/70/85/77/951708577.db2.gz QSOLXPQOCVPIFW-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575080271 951708587 /nfs/dbraw/zinc/70/85/87/951708587.db2.gz QSOLXPQOCVPIFW-SCZZXKLOSA-N 0 3 375.355 0.558 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575080485 951710056 /nfs/dbraw/zinc/71/00/56/951710056.db2.gz WXGGPSIGLGWREV-YPMHNXCESA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1(C(N)=O)CC1 ZINC001575080526 951712267 /nfs/dbraw/zinc/71/22/67/951712267.db2.gz XVBLMOIEPRHIJO-JTQLQIEISA-N 0 3 375.408 0.208 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575080687 951712893 /nfs/dbraw/zinc/71/28/93/951712893.db2.gz MQOFOKVJTCGNCW-YPMHNXCESA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575080687 951712899 /nfs/dbraw/zinc/71/28/99/951712899.db2.gz MQOFOKVJTCGNCW-YPMHNXCESA-N 0 3 389.435 0.421 20 0 GCADHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575080533 951712990 /nfs/dbraw/zinc/71/29/90/951712990.db2.gz XYAGUYUIUHXPMJ-RNCFNFMXSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575080795 951716292 /nfs/dbraw/zinc/71/62/92/951716292.db2.gz NQTQOKGVEAKHKY-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575080795 951716293 /nfs/dbraw/zinc/71/62/93/951716293.db2.gz NQTQOKGVEAKHKY-RYUDHWBXSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575080798 951716831 /nfs/dbraw/zinc/71/68/31/951716831.db2.gz NQTQOKGVEAKHKY-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575080798 951716838 /nfs/dbraw/zinc/71/68/38/951716838.db2.gz NQTQOKGVEAKHKY-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081134 951719550 /nfs/dbraw/zinc/71/95/50/951719550.db2.gz OMPXOGLFVLJOBK-BLLLJJGKSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](CNC(=O)[C@H]1CN(C)CCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081134 951719568 /nfs/dbraw/zinc/71/95/68/951719568.db2.gz OMPXOGLFVLJOBK-BLLLJJGKSA-N 0 3 391.451 0.178 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081614 951724052 /nfs/dbraw/zinc/72/40/52/951724052.db2.gz QXGOFFDZNHUNHB-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081614 951724057 /nfs/dbraw/zinc/72/40/57/951724057.db2.gz QXGOFFDZNHUNHB-WCQYABFASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575081833 951727238 /nfs/dbraw/zinc/72/72/38/951727238.db2.gz WFVBXXPMQRCCCD-SCZZXKLOSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001575081833 951727242 /nfs/dbraw/zinc/72/72/42/951727242.db2.gz WFVBXXPMQRCCCD-SCZZXKLOSA-N 0 3 375.355 0.464 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575081869 951727296 /nfs/dbraw/zinc/72/72/96/951727296.db2.gz SPOSTMLZPBLWFT-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575081869 951727300 /nfs/dbraw/zinc/72/73/00/951727300.db2.gz SPOSTMLZPBLWFT-SNVBAGLBSA-N 0 3 388.407 0.695 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575082018 951729980 /nfs/dbraw/zinc/72/99/80/951729980.db2.gz UISMOTAZJGNUCQ-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575082018 951729989 /nfs/dbraw/zinc/72/99/89/951729989.db2.gz UISMOTAZJGNUCQ-SNVBAGLBSA-N 0 3 386.391 0.752 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575082414 951733832 /nfs/dbraw/zinc/73/38/32/951733832.db2.gz YIJSAKRTQADILS-DIFFPNOSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@@H](CNC(=O)[C@]1(F)CCOC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575082414 951733835 /nfs/dbraw/zinc/73/38/35/951733835.db2.gz YIJSAKRTQADILS-DIFFPNOSSA-N 0 3 380.399 0.976 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575082574 951735813 /nfs/dbraw/zinc/73/58/13/951735813.db2.gz XIAIHOLAXDBJDX-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575082574 951735818 /nfs/dbraw/zinc/73/58/18/951735818.db2.gz XIAIHOLAXDBJDX-VXGBXAGGSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575088571 951741282 /nfs/dbraw/zinc/74/12/82/951741282.db2.gz BPXRCENUMMRRBW-NEPJUHHUSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H](C)n1cncn1 ZINC001575088574 951741985 /nfs/dbraw/zinc/74/19/85/951741985.db2.gz BPXRCENUMMRRBW-VXGBXAGGSA-N 0 3 387.423 0.795 20 0 GCADHN C[C@H](CNC(=O)Cc1cncn1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089130 951745879 /nfs/dbraw/zinc/74/58/79/951745879.db2.gz DSXVZAMFSYIYHL-LBPRGKRZSA-N 0 3 386.435 0.824 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089302 951746987 /nfs/dbraw/zinc/74/69/87/951746987.db2.gz FLNJWDAQRDEUFG-XJKSGUPXSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089302 951746995 /nfs/dbraw/zinc/74/69/95/951746995.db2.gz FLNJWDAQRDEUFG-XJKSGUPXSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089566 951750854 /nfs/dbraw/zinc/75/08/54/951750854.db2.gz GOOWEWCYGUFYSB-RYUDHWBXSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089566 951750860 /nfs/dbraw/zinc/75/08/60/951750860.db2.gz GOOWEWCYGUFYSB-RYUDHWBXSA-N 0 3 390.419 0.801 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089683 951751667 /nfs/dbraw/zinc/75/16/67/951751667.db2.gz HMIXSRYDRACZLI-NEPJUHHUSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089683 951751676 /nfs/dbraw/zinc/75/16/76/951751676.db2.gz HMIXSRYDRACZLI-NEPJUHHUSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575089713 951753328 /nfs/dbraw/zinc/75/33/28/951753328.db2.gz HXSCPQGQIIQDDE-LLVKDONJSA-N 0 3 389.435 0.469 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575090255 951759455 /nfs/dbraw/zinc/75/94/55/951759455.db2.gz KFEJEKVVUKWLQO-RNCFNFMXSA-N 0 3 377.380 0.051 20 0 GCADHN C[C@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090564 951762372 /nfs/dbraw/zinc/76/23/72/951762372.db2.gz MHTIESJHWRYDKN-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575090564 951762381 /nfs/dbraw/zinc/76/23/81/951762381.db2.gz MHTIESJHWRYDKN-LBPRGKRZSA-N 0 3 387.423 0.530 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575090706 951763738 /nfs/dbraw/zinc/76/37/38/951763738.db2.gz LGPIXBNPLLNZJF-GXTWGEPZSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575091230 951771877 /nfs/dbraw/zinc/77/18/77/951771877.db2.gz ONSRUPJJGDXXDL-WCQYABFASA-N 0 3 389.435 0.469 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575091209 951772130 /nfs/dbraw/zinc/77/21/30/951772130.db2.gz OKMQQAAINQBKCL-HNAYVOBHSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575091209 951772137 /nfs/dbraw/zinc/77/21/37/951772137.db2.gz OKMQQAAINQBKCL-HNAYVOBHSA-N 0 3 383.456 0.520 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091319 951774209 /nfs/dbraw/zinc/77/42/09/951774209.db2.gz QZGOJKUAFVNMJQ-IAQYHMDHSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091319 951774213 /nfs/dbraw/zinc/77/42/13/951774213.db2.gz QZGOJKUAFVNMJQ-IAQYHMDHSA-N 0 3 389.435 0.516 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@H]1CCNC1=O ZINC001575091567 951778697 /nfs/dbraw/zinc/77/86/97/951778697.db2.gz SGLFKZGUUBISGC-MFKMUULPSA-N 0 3 375.408 0.078 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091710 951781720 /nfs/dbraw/zinc/78/17/20/951781720.db2.gz WNFZDDHTZOAMSA-FZMZJTMJSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091710 951781722 /nfs/dbraw/zinc/78/17/22/951781722.db2.gz WNFZDDHTZOAMSA-FZMZJTMJSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575092016 951788660 /nfs/dbraw/zinc/78/86/60/951788660.db2.gz XVJGNFVAXRXWEM-WFASDCNBSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575092016 951788667 /nfs/dbraw/zinc/78/86/67/951788667.db2.gz XVJGNFVAXRXWEM-WFASDCNBSA-N 0 3 386.460 0.252 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575092240 951791091 /nfs/dbraw/zinc/79/10/91/951791091.db2.gz BFWJAKCJWHTHQR-LBPRGKRZSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575092240 951791098 /nfs/dbraw/zinc/79/10/98/951791098.db2.gz BFWJAKCJWHTHQR-LBPRGKRZSA-N 0 3 382.428 0.706 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575092972 951796033 /nfs/dbraw/zinc/79/60/33/951796033.db2.gz GJRVTBFXXYUDAI-LBPRGKRZSA-N 0 3 382.428 0.611 20 0 GCADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575092972 951796049 /nfs/dbraw/zinc/79/60/49/951796049.db2.gz GJRVTBFXXYUDAI-LBPRGKRZSA-N 0 3 382.428 0.611 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575093042 951796312 /nfs/dbraw/zinc/79/63/12/951796312.db2.gz HNUUGJWPPMKMHQ-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575093042 951796314 /nfs/dbraw/zinc/79/63/14/951796314.db2.gz HNUUGJWPPMKMHQ-XJKSGUPXSA-N 0 3 385.472 0.814 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575092969 951796560 /nfs/dbraw/zinc/79/65/60/951796560.db2.gz GJRVTBFXXYUDAI-GFCCVEGCSA-N 0 3 382.428 0.611 20 0 GCADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575092969 951796566 /nfs/dbraw/zinc/79/65/66/951796566.db2.gz GJRVTBFXXYUDAI-GFCCVEGCSA-N 0 3 382.428 0.611 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575093827 951802340 /nfs/dbraw/zinc/80/23/40/951802340.db2.gz KZVWAENEVYMJHK-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575093827 951802347 /nfs/dbraw/zinc/80/23/47/951802347.db2.gz KZVWAENEVYMJHK-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575094698 951804642 /nfs/dbraw/zinc/80/46/42/951804642.db2.gz NLZWQZLQNDUGAT-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575094698 951804654 /nfs/dbraw/zinc/80/46/54/951804654.db2.gz NLZWQZLQNDUGAT-LLVKDONJSA-N 0 3 383.412 0.809 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1cccn(C)c1=O ZINC001575094360 951805408 /nfs/dbraw/zinc/80/54/08/951805408.db2.gz NEPIUGSRFPHKHS-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1cccn(C)c1=O ZINC001575094360 951805416 /nfs/dbraw/zinc/80/54/16/951805416.db2.gz NEPIUGSRFPHKHS-ZDUSSCGKSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575094852 951806766 /nfs/dbraw/zinc/80/67/66/951806766.db2.gz QFPGGOGZNGZRIV-GFCCVEGCSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575094852 951806773 /nfs/dbraw/zinc/80/67/73/951806773.db2.gz QFPGGOGZNGZRIV-GFCCVEGCSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575095110 951809461 /nfs/dbraw/zinc/80/94/61/951809461.db2.gz RTZLYXXPGLCPDA-GFCCVEGCSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575095110 951809473 /nfs/dbraw/zinc/80/94/73/951809473.db2.gz RTZLYXXPGLCPDA-GFCCVEGCSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101239 951856309 /nfs/dbraw/zinc/85/63/09/951856309.db2.gz BDEBZCMEUQAKLH-DGCLKSJQSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101239 951856315 /nfs/dbraw/zinc/85/63/15/951856315.db2.gz BDEBZCMEUQAKLH-DGCLKSJQSA-N 0 3 389.435 0.326 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101350 951857798 /nfs/dbraw/zinc/85/77/98/951857798.db2.gz BYICMCATMVKDTD-NSHDSACASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101350 951857802 /nfs/dbraw/zinc/85/78/02/951857802.db2.gz BYICMCATMVKDTD-NSHDSACASA-N 0 3 389.435 0.374 20 0 GCADHN C[C@@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101499 951860215 /nfs/dbraw/zinc/86/02/15/951860215.db2.gz FWLJYKNSHQLDCP-SNVBAGLBSA-N 0 3 385.407 0.534 20 0 GCADHN C[C@@H](CNC(=O)c1nccnc1N)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101499 951860221 /nfs/dbraw/zinc/86/02/21/951860221.db2.gz FWLJYKNSHQLDCP-SNVBAGLBSA-N 0 3 385.407 0.534 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)(NC(=O)CC(N)=O)C1CC1 ZINC001575102676 951869751 /nfs/dbraw/zinc/86/97/51/951869751.db2.gz ODUOHQGXTKHWKV-QGZVFWFLSA-N 0 3 375.408 0.256 20 0 GCADHN C[C@](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)(NC(=O)CC(N)=O)C1CC1 ZINC001575102676 951869759 /nfs/dbraw/zinc/86/97/59/951869759.db2.gz ODUOHQGXTKHWKV-QGZVFWFLSA-N 0 3 375.408 0.256 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(C(N)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575103789 951877064 /nfs/dbraw/zinc/87/70/64/951877064.db2.gz WBSCNIKZKLLFCE-LLVKDONJSA-N 0 3 382.428 0.544 20 0 GCADHN C[C@@H](CNC(=O)c1cnc[nH]c1=O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575103864 951879440 /nfs/dbraw/zinc/87/94/40/951879440.db2.gz WUTZBQITUPLYBE-SNVBAGLBSA-N 0 3 386.391 0.657 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575104207 951883734 /nfs/dbraw/zinc/88/37/34/951883734.db2.gz YBLARDBTSSMGJK-TZMCWYRMSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575104207 951883741 /nfs/dbraw/zinc/88/37/41/951883741.db2.gz YBLARDBTSSMGJK-TZMCWYRMSA-N 0 3 392.435 0.653 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001575104209 951884027 /nfs/dbraw/zinc/88/40/27/951884027.db2.gz YCPWEEDPSOSHHM-SECBINFHSA-N 0 3 376.446 0.618 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CCCC(N)=O ZINC001575104453 951886222 /nfs/dbraw/zinc/88/62/22/951886222.db2.gz CTVFJYHJHSOPMC-LLVKDONJSA-N 0 3 377.424 0.598 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CCCC(N)=O ZINC001575104453 951886231 /nfs/dbraw/zinc/88/62/31/951886231.db2.gz CTVFJYHJHSOPMC-LLVKDONJSA-N 0 3 377.424 0.598 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCCC1=O ZINC001575105164 951889667 /nfs/dbraw/zinc/88/96/67/951889667.db2.gz HHKXPWQJUPWURY-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCCC1=O ZINC001575105164 951889671 /nfs/dbraw/zinc/88/96/71/951889671.db2.gz HHKXPWQJUPWURY-LBPRGKRZSA-N 0 3 389.435 0.565 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575105816 951899591 /nfs/dbraw/zinc/89/95/91/951899591.db2.gz OBJQJTYXONNRKX-VCBZYWHSSA-N 0 3 383.456 0.363 20 0 GCADHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575105816 951899598 /nfs/dbraw/zinc/89/95/98/951899598.db2.gz OBJQJTYXONNRKX-VCBZYWHSSA-N 0 3 383.456 0.363 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)Cc1cncn1C ZINC001575105880 951901676 /nfs/dbraw/zinc/90/16/76/951901676.db2.gz PAWPJGXILRSNAE-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)Cc1cncn1C ZINC001575105880 951901682 /nfs/dbraw/zinc/90/16/82/951901682.db2.gz PAWPJGXILRSNAE-GFCCVEGCSA-N 0 3 386.435 0.919 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106538 951905450 /nfs/dbraw/zinc/90/54/50/951905450.db2.gz RUMCUZXUCDFBEO-ZFWWWQNUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106538 951905455 /nfs/dbraw/zinc/90/54/55/951905455.db2.gz RUMCUZXUCDFBEO-ZFWWWQNUSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575106954 951909510 /nfs/dbraw/zinc/90/95/10/951909510.db2.gz WHSMZRSUKXUAPW-TZMCWYRMSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575106954 951909512 /nfs/dbraw/zinc/90/95/12/951909512.db2.gz WHSMZRSUKXUAPW-TZMCWYRMSA-N 0 3 392.435 0.748 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCOCC1 ZINC001575106904 951909531 /nfs/dbraw/zinc/90/95/31/951909531.db2.gz WFICKIJMNSYCBZ-ZDUSSCGKSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCOCC1 ZINC001575106904 951909533 /nfs/dbraw/zinc/90/95/33/951909533.db2.gz WFICKIJMNSYCBZ-ZDUSSCGKSA-N 0 3 391.451 0.275 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575107232 951915041 /nfs/dbraw/zinc/91/50/41/951915041.db2.gz BQBXJJVOXAQZNI-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575107232 951915050 /nfs/dbraw/zinc/91/50/50/951915050.db2.gz BQBXJJVOXAQZNI-YJYMSZOUSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575107230 951915676 /nfs/dbraw/zinc/91/56/76/951915676.db2.gz BQBXJJVOXAQZNI-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575107230 951915683 /nfs/dbraw/zinc/91/56/83/951915683.db2.gz BQBXJJVOXAQZNI-DJJJIMSYSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575107317 951917651 /nfs/dbraw/zinc/91/76/51/951917651.db2.gz CIXQZRWEKSZAPL-LBPRGKRZSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575107317 951917654 /nfs/dbraw/zinc/91/76/54/951917654.db2.gz CIXQZRWEKSZAPL-LBPRGKRZSA-N 0 3 384.444 0.060 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575107951 951922480 /nfs/dbraw/zinc/92/24/80/951922480.db2.gz JPQFDFYKBGJBNQ-WFASDCNBSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575107951 951922482 /nfs/dbraw/zinc/92/24/82/951922482.db2.gz JPQFDFYKBGJBNQ-WFASDCNBSA-N 0 3 392.485 0.238 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575107943 951923152 /nfs/dbraw/zinc/92/31/52/951923152.db2.gz JKWALCQKYRSNOC-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575107943 951923161 /nfs/dbraw/zinc/92/31/61/951923161.db2.gz JKWALCQKYRSNOC-HIFRSBDPSA-N 0 3 385.472 0.720 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575109516 951929527 /nfs/dbraw/zinc/92/95/27/951929527.db2.gz RVJAXOODLRXLMX-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575109516 951929534 /nfs/dbraw/zinc/92/95/34/951929534.db2.gz RVJAXOODLRXLMX-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575110009 951935754 /nfs/dbraw/zinc/93/57/54/951935754.db2.gz XFNGIBSXIBCSBC-RHSMWYFYSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575110009 951935758 /nfs/dbraw/zinc/93/57/58/951935758.db2.gz XFNGIBSXIBCSBC-RHSMWYFYSA-N 0 3 388.472 0.999 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575109905 951935814 /nfs/dbraw/zinc/93/58/14/951935814.db2.gz VSWJOMOPVCDBOR-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575109905 951935818 /nfs/dbraw/zinc/93/58/18/951935818.db2.gz VSWJOMOPVCDBOR-GFCCVEGCSA-N 0 3 382.428 0.211 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575110036 951937608 /nfs/dbraw/zinc/93/76/08/951937608.db2.gz XIWYRTPRJXAZPL-GFCCVEGCSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575110036 951937612 /nfs/dbraw/zinc/93/76/12/951937612.db2.gz XIWYRTPRJXAZPL-GFCCVEGCSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575110268 951939265 /nfs/dbraw/zinc/93/92/65/951939265.db2.gz ZBFJNNUVBPTEBA-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575110268 951939269 /nfs/dbraw/zinc/93/92/69/951939269.db2.gz ZBFJNNUVBPTEBA-CYBMUJFWSA-N 0 3 381.440 0.816 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113449 951941019 /nfs/dbraw/zinc/94/10/19/951941019.db2.gz BNMCETAIFBZZMQ-UKRRQHHQSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113449 951941025 /nfs/dbraw/zinc/94/10/25/951941025.db2.gz BNMCETAIFBZZMQ-UKRRQHHQSA-N 0 3 385.472 0.767 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113446 951941518 /nfs/dbraw/zinc/94/15/18/951941518.db2.gz BMPYKUJPDZRLJH-LBPRGKRZSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113446 951941523 /nfs/dbraw/zinc/94/15/23/951941523.db2.gz BMPYKUJPDZRLJH-LBPRGKRZSA-N 0 3 382.428 0.116 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001575113606 951943032 /nfs/dbraw/zinc/94/30/32/951943032.db2.gz CAHSTIUJMGPFSL-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001575113606 951943039 /nfs/dbraw/zinc/94/30/39/951943039.db2.gz CAHSTIUJMGPFSL-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114283 951954675 /nfs/dbraw/zinc/95/46/75/951954675.db2.gz OKTUXMUJJMCGNH-UONOGXRCSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114283 951954677 /nfs/dbraw/zinc/95/46/77/951954677.db2.gz OKTUXMUJJMCGNH-UONOGXRCSA-N 0 3 385.472 0.577 20 0 GCADHN C[C@H](CNC(=O)CCN1CCOCC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114735 951958382 /nfs/dbraw/zinc/95/83/82/951958382.db2.gz RPKKSMYSUIBIDI-HNNXBMFYSA-N 0 3 387.488 0.431 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114774 951960548 /nfs/dbraw/zinc/96/05/48/951960548.db2.gz SUWHVMQXPADZKB-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114774 951960553 /nfs/dbraw/zinc/96/05/53/951960553.db2.gz SUWHVMQXPADZKB-ZDUSSCGKSA-N 0 3 381.440 0.721 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115160 951962472 /nfs/dbraw/zinc/96/24/72/951962472.db2.gz VCUWQXQRIQNUIK-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115160 951962476 /nfs/dbraw/zinc/96/24/76/951962476.db2.gz VCUWQXQRIQNUIK-NSHDSACASA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115158 951963028 /nfs/dbraw/zinc/96/30/28/951963028.db2.gz VCUWQXQRIQNUIK-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115158 951963035 /nfs/dbraw/zinc/96/30/35/951963035.db2.gz VCUWQXQRIQNUIK-LLVKDONJSA-N 0 3 382.428 0.449 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115787 951966189 /nfs/dbraw/zinc/96/61/89/951966189.db2.gz YVJOAIHNBLBNRK-KGLIPLIRSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115787 951966196 /nfs/dbraw/zinc/96/61/96/951966196.db2.gz YVJOAIHNBLBNRK-KGLIPLIRSA-N 0 3 385.472 0.625 20 0 GCADHN C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575184820 952424455 /nfs/dbraw/zinc/42/44/55/952424455.db2.gz DCSWFYGKEPEHTQ-VXGBXAGGSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575184820 952424458 /nfs/dbraw/zinc/42/44/58/952424458.db2.gz DCSWFYGKEPEHTQ-VXGBXAGGSA-N 0 3 380.474 0.142 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575185350 952432642 /nfs/dbraw/zinc/43/26/42/952432642.db2.gz PUKKHFVFDRUNBS-TUKIKUTGSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575185350 952432646 /nfs/dbraw/zinc/43/26/46/952432646.db2.gz PUKKHFVFDRUNBS-TUKIKUTGSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575186018 952436378 /nfs/dbraw/zinc/43/63/78/952436378.db2.gz XULICCWBKRZWNW-BNOWGMLFSA-N 0 3 392.485 0.284 20 0 GCADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575186018 952436382 /nfs/dbraw/zinc/43/63/82/952436382.db2.gz XULICCWBKRZWNW-BNOWGMLFSA-N 0 3 392.485 0.284 20 0 GCADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1COCCO1 ZINC001571119404 952491157 /nfs/dbraw/zinc/49/11/57/952491157.db2.gz AMFFKIVZTGQOAB-HUBLWGQQSA-N 0 3 376.392 0.158 20 0 GCADHN O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@@H]1COCCO1 ZINC001571119404 952491161 /nfs/dbraw/zinc/49/11/61/952491161.db2.gz AMFFKIVZTGQOAB-HUBLWGQQSA-N 0 3 376.392 0.158 20 0 GCADHN Cc1nsc(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)c1-c1nnn[n-]1 ZINC001571123828 952532393 /nfs/dbraw/zinc/53/23/93/952532393.db2.gz WNGGBXZDSLMQCS-UHFFFAOYSA-N 0 3 376.490 0.622 20 0 GCADHN CC(F)(F)C(=O)N1CCO[C@H](CNCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575212571 952553387 /nfs/dbraw/zinc/55/33/87/952553387.db2.gz KAJFAEXBKPIVCU-GFCCVEGCSA-N 0 3 384.362 0.978 20 0 GCADHN CC(F)(F)C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001575212867 952554454 /nfs/dbraw/zinc/55/44/54/952554454.db2.gz MTDPZPHDYACDLS-LBPRGKRZSA-N 0 3 384.362 0.978 20 0 GCADHN CC(F)(F)C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001575212867 952554456 /nfs/dbraw/zinc/55/44/56/952554456.db2.gz MTDPZPHDYACDLS-LBPRGKRZSA-N 0 3 384.362 0.978 20 0 GCADHN Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)n(C)n1 ZINC001571135238 952601643 /nfs/dbraw/zinc/60/16/43/952601643.db2.gz RSBYYKUBNRLLGI-QLPKVWCKSA-N 0 3 378.440 0.769 20 0 GCADHN Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)n(C)n1 ZINC001571135238 952601646 /nfs/dbraw/zinc/60/16/46/952601646.db2.gz RSBYYKUBNRLLGI-QLPKVWCKSA-N 0 3 378.440 0.769 20 0 GCADHN Cc1ncc(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)o1 ZINC001571142073 952639152 /nfs/dbraw/zinc/63/91/52/952639152.db2.gz OVVNVBPFCBIXFP-VQFNDLOPSA-N 0 3 379.424 0.952 20 0 GCADHN Cc1ncc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)o1 ZINC001571142073 952639155 /nfs/dbraw/zinc/63/91/55/952639155.db2.gz OVVNVBPFCBIXFP-VQFNDLOPSA-N 0 3 379.424 0.952 20 0 GCADHN Cc1ncc(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)o1 ZINC001571142073 952639158 /nfs/dbraw/zinc/63/91/58/952639158.db2.gz OVVNVBPFCBIXFP-VQFNDLOPSA-N 0 3 379.424 0.952 20 0 GCADHN Cc1ncc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)o1 ZINC001571142073 952639160 /nfs/dbraw/zinc/63/91/60/952639160.db2.gz OVVNVBPFCBIXFP-VQFNDLOPSA-N 0 3 379.424 0.952 20 0 GCADHN O=C(Cn1ccnc1)N1CCC[C@H]2[C@@H]1CCN2c1ccncc1-c1nn[nH]n1 ZINC001571146259 952647945 /nfs/dbraw/zinc/64/79/45/952647945.db2.gz FGLAPHUFENIGIW-HOTGVXAUSA-N 0 3 379.428 0.728 20 0 GCADHN O=C(Cn1ccnc1)N1CCC[C@@H]2[C@H]1CCN2c1ccncc1-c1nn[nH]n1 ZINC001571146260 952648053 /nfs/dbraw/zinc/64/80/53/952648053.db2.gz FGLAPHUFENIGIW-HZPDHXFCSA-N 0 3 379.428 0.728 20 0 GCADHN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1c[nH]cn1 ZINC001571147166 952657943 /nfs/dbraw/zinc/65/79/43/952657943.db2.gz HYYGYSRIZLRNLP-JYAVWHMHSA-N 0 3 379.428 0.513 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1nccnc1N ZINC001571147603 952663215 /nfs/dbraw/zinc/66/32/15/952663215.db2.gz PBDIXUPIDAALOB-FZMZJTMJSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1nccnc1N ZINC001571147603 952663218 /nfs/dbraw/zinc/66/32/18/952663218.db2.gz PBDIXUPIDAALOB-FZMZJTMJSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1nccnc1N ZINC001571147604 952663459 /nfs/dbraw/zinc/66/34/59/952663459.db2.gz PBDIXUPIDAALOB-RISCZKNCSA-N 0 3 379.428 0.632 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1nccnc1N ZINC001571147604 952663460 /nfs/dbraw/zinc/66/34/60/952663460.db2.gz PBDIXUPIDAALOB-RISCZKNCSA-N 0 3 379.428 0.632 20 0 GCADHN Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]cn2)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571157976 952708720 /nfs/dbraw/zinc/70/87/20/952708720.db2.gz PDIJETVTFXERRT-SNPRPXQTSA-N 0 3 379.428 0.762 20 0 GCADHN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1)c1c[nH]c(=O)cn1 ZINC001571160069 952723244 /nfs/dbraw/zinc/72/32/44/952723244.db2.gz CLDAJMXUNNLKBV-XBXGTLAGSA-N 0 3 380.412 0.248 20 0 GCADHN O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)c1c[nH]c(=O)cn1 ZINC001571160069 952723246 /nfs/dbraw/zinc/72/32/46/952723246.db2.gz CLDAJMXUNNLKBV-XBXGTLAGSA-N 0 3 380.412 0.248 20 0 GCADHN NC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571160749 952727497 /nfs/dbraw/zinc/72/74/97/952727497.db2.gz LJNMJPLASIPVBO-OKILXGFUSA-N 0 3 380.412 0.344 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571165855 952756477 /nfs/dbraw/zinc/75/64/77/952756477.db2.gz HWISVFHZDHYWQN-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)Cc1cnn(C)c1 ZINC001571165855 952756482 /nfs/dbraw/zinc/75/64/82/952756482.db2.gz HWISVFHZDHYWQN-CXAGYDPISA-N 0 3 380.456 0.922 20 0 GCADHN O=C(N1CC2(C1)CC[N@H+](Cc1cccc(-c3nnn[n-]3)c1)C2)[C@]12C[C@H]1COC2 ZINC001571167150 952770165 /nfs/dbraw/zinc/77/01/65/952770165.db2.gz WOURCLYRZLPVBJ-JXFKEZNVSA-N 0 3 380.452 0.938 20 0 GCADHN O=C(N1CC2(C1)CC[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2)[C@]12C[C@H]1COC2 ZINC001571167150 952770170 /nfs/dbraw/zinc/77/01/70/952770170.db2.gz WOURCLYRZLPVBJ-JXFKEZNVSA-N 0 3 380.452 0.938 20 0 GCADHN Cn1nccc1CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571171552 952794225 /nfs/dbraw/zinc/79/42/25/952794225.db2.gz BTRKYZUNAHWBIP-HNNXBMFYSA-N 0 3 380.456 0.924 20 0 GCADHN Cn1nccc1CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571171552 952794228 /nfs/dbraw/zinc/79/42/28/952794228.db2.gz BTRKYZUNAHWBIP-HNNXBMFYSA-N 0 3 380.456 0.924 20 0 GCADHN Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC001571172283 952804611 /nfs/dbraw/zinc/80/46/11/952804611.db2.gz RXYDZLMRUCUESB-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC001571172283 952804613 /nfs/dbraw/zinc/80/46/13/952804613.db2.gz RXYDZLMRUCUESB-UHFFFAOYSA-N 0 3 380.474 0.252 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC001571180173 952857295 /nfs/dbraw/zinc/85/72/95/952857295.db2.gz MIUXRXDEJJDTKU-HNNXBMFYSA-N 0 3 381.440 0.939 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC001571180173 952857299 /nfs/dbraw/zinc/85/72/99/952857299.db2.gz MIUXRXDEJJDTKU-HNNXBMFYSA-N 0 3 381.440 0.939 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1cnn(C)n1 ZINC001571184011 952886598 /nfs/dbraw/zinc/88/65/98/952886598.db2.gz ONLBNHHPSMBUQJ-SWLSCSKDSA-N 0 3 381.444 0.778 20 0 GCADHN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1cnn(C)n1 ZINC001571184011 952886600 /nfs/dbraw/zinc/88/66/00/952886600.db2.gz ONLBNHHPSMBUQJ-SWLSCSKDSA-N 0 3 381.444 0.778 20 0 GCADHN C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571184287 952891061 /nfs/dbraw/zinc/89/10/61/952891061.db2.gz VMHLIYCCSQHRNE-JSGCOSHPSA-N 0 3 381.444 0.493 20 0 GCADHN C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571184287 952891064 /nfs/dbraw/zinc/89/10/64/952891064.db2.gz VMHLIYCCSQHRNE-JSGCOSHPSA-N 0 3 381.444 0.493 20 0 GCADHN CCn1nncc1C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001571185062 952899796 /nfs/dbraw/zinc/89/97/96/952899796.db2.gz IBSJPIRJTQOLJH-WFASDCNBSA-N 0 3 381.444 0.871 20 0 GCADHN CCn1nncc1C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001571185062 952899801 /nfs/dbraw/zinc/89/98/01/952899801.db2.gz IBSJPIRJTQOLJH-WFASDCNBSA-N 0 3 381.444 0.871 20 0 GCADHN CCn1nncc1C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571185059 952900257 /nfs/dbraw/zinc/90/02/57/952900257.db2.gz IBSJPIRJTQOLJH-DOMZBBRYSA-N 0 3 381.444 0.871 20 0 GCADHN CCn1nncc1C(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571185059 952900258 /nfs/dbraw/zinc/90/02/58/952900258.db2.gz IBSJPIRJTQOLJH-DOMZBBRYSA-N 0 3 381.444 0.871 20 0 GCADHN Cc1cncn1CC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571188352 952913811 /nfs/dbraw/zinc/91/38/11/952913811.db2.gz JDRVNMPYSVZUNX-CQSZACIVSA-N 0 3 381.444 0.600 20 0 GCADHN Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571188520 952916067 /nfs/dbraw/zinc/91/60/67/952916067.db2.gz CTCADQRGPWTMSM-HUUCEWRRSA-N 0 3 381.444 0.826 20 0 GCADHN Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571188520 952916071 /nfs/dbraw/zinc/91/60/71/952916071.db2.gz CTCADQRGPWTMSM-HUUCEWRRSA-N 0 3 381.444 0.826 20 0 GCADHN O=C(Cn1cncn1)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571188723 952919915 /nfs/dbraw/zinc/91/99/15/952919915.db2.gz GPDFUHDIQIDUDK-JKSUJKDBSA-N 0 3 381.444 0.533 20 0 GCADHN O=C(Cn1cncn1)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571188723 952919918 /nfs/dbraw/zinc/91/99/18/952919918.db2.gz GPDFUHDIQIDUDK-JKSUJKDBSA-N 0 3 381.444 0.533 20 0 GCADHN Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571189330 952928140 /nfs/dbraw/zinc/92/81/40/952928140.db2.gz PSYUBUCFDHPCJK-ZIAGYGMSSA-N 0 3 381.444 0.826 20 0 GCADHN Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571189330 952928144 /nfs/dbraw/zinc/92/81/44/952928144.db2.gz PSYUBUCFDHPCJK-ZIAGYGMSSA-N 0 3 381.444 0.826 20 0 GCADHN Cc1ncc(C[NH2+]CC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC001571189341 952928446 /nfs/dbraw/zinc/92/84/46/952928446.db2.gz QCMSSVDQBHBKID-UHFFFAOYSA-N 0 3 381.444 0.935 20 0 GCADHN Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)Cc2ncc[nH]2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189498 952929381 /nfs/dbraw/zinc/92/93/81/952929381.db2.gz WETQWESMWSPAFD-GXTWGEPZSA-N 0 3 381.444 0.655 20 0 GCADHN O=C(Cn1cncn1)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571189864 952935851 /nfs/dbraw/zinc/93/58/51/952935851.db2.gz XYWBHPSIARPKSI-OAHLLOKOSA-N 0 3 381.444 0.487 20 0 GCADHN O=C(Cn1cncn1)N1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571189864 952935855 /nfs/dbraw/zinc/93/58/55/952935855.db2.gz XYWBHPSIARPKSI-OAHLLOKOSA-N 0 3 381.444 0.487 20 0 GCADHN O=C(N[C@]12CCC[C@H]1C[N@H+](CCn1cccn1)C2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571189831 952936061 /nfs/dbraw/zinc/93/60/61/952936061.db2.gz WGMFIGIIELHJRP-KSSFIOAISA-N 0 3 381.444 0.676 20 0 GCADHN O=C(N[C@]12CCC[C@H]1C[N@@H+](CCn1cccn1)C2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571189831 952936064 /nfs/dbraw/zinc/93/60/64/952936064.db2.gz WGMFIGIIELHJRP-KSSFIOAISA-N 0 3 381.444 0.676 20 0 GCADHN COc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)ccn1 ZINC001571198540 952990704 /nfs/dbraw/zinc/99/07/04/952990704.db2.gz BMPDZWADGKSYGF-MQMHXKEQSA-N 0 3 382.428 0.897 20 0 GCADHN COc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)ccn1 ZINC001571198540 952990708 /nfs/dbraw/zinc/99/07/08/952990708.db2.gz BMPDZWADGKSYGF-MQMHXKEQSA-N 0 3 382.428 0.897 20 0 GCADHN COc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571198732 952992065 /nfs/dbraw/zinc/99/20/65/952992065.db2.gz FCBYCYSDZFZAND-CYBMUJFWSA-N 0 3 382.428 0.613 20 0 GCADHN COc1nn(C)cc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571198732 952992070 /nfs/dbraw/zinc/99/20/70/952992070.db2.gz FCBYCYSDZFZAND-CYBMUJFWSA-N 0 3 382.428 0.613 20 0 GCADHN O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CC([NH2+]C2CCOCC2)C1 ZINC001571199725 953004131 /nfs/dbraw/zinc/00/41/31/953004131.db2.gz AIAZCVJSJFJMAS-UHFFFAOYSA-N 0 3 382.421 0.147 20 0 GCADHN C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571206804 953055747 /nfs/dbraw/zinc/05/57/47/953055747.db2.gz XMXMQHXNQUFESJ-IUODEOHRSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571209878 953068446 /nfs/dbraw/zinc/06/84/46/953068446.db2.gz HNHBLLJAJZCMRY-DRZSPHRISA-N 0 3 382.432 0.072 20 0 GCADHN O=C(N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571209878 953068451 /nfs/dbraw/zinc/06/84/51/953068451.db2.gz HNHBLLJAJZCMRY-DRZSPHRISA-N 0 3 382.432 0.072 20 0 GCADHN Cn1nnc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)n1 ZINC001571210560 953073360 /nfs/dbraw/zinc/07/33/60/953073360.db2.gz SFORMSNDFWZODN-CYBMUJFWSA-N 0 3 382.432 0.175 20 0 GCADHN Cn1nnc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)n1 ZINC001571210560 953073363 /nfs/dbraw/zinc/07/33/63/953073363.db2.gz SFORMSNDFWZODN-CYBMUJFWSA-N 0 3 382.432 0.175 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCn2cncn2)C1 ZINC001571210734 953073573 /nfs/dbraw/zinc/07/35/73/953073573.db2.gz WCCHHXZKFBETTA-SWLSCSKDSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCn2cncn2)C1 ZINC001571210734 953073578 /nfs/dbraw/zinc/07/35/78/953073578.db2.gz WCCHHXZKFBETTA-SWLSCSKDSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCn2cncn2)C1 ZINC001571210734 953073582 /nfs/dbraw/zinc/07/35/82/953073582.db2.gz WCCHHXZKFBETTA-SWLSCSKDSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCn2cncn2)C1 ZINC001571210734 953073587 /nfs/dbraw/zinc/07/35/87/953073587.db2.gz WCCHHXZKFBETTA-SWLSCSKDSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCn2cncn2)C1 ZINC001571210736 953074568 /nfs/dbraw/zinc/07/45/68/953074568.db2.gz WCCHHXZKFBETTA-WFASDCNBSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCn2cncn2)C1 ZINC001571210736 953074572 /nfs/dbraw/zinc/07/45/72/953074572.db2.gz WCCHHXZKFBETTA-WFASDCNBSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCn2cncn2)C1 ZINC001571210736 953074575 /nfs/dbraw/zinc/07/45/75/953074575.db2.gz WCCHHXZKFBETTA-WFASDCNBSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCn2cncn2)C1 ZINC001571210736 953074579 /nfs/dbraw/zinc/07/45/79/953074579.db2.gz WCCHHXZKFBETTA-WFASDCNBSA-N 0 3 382.432 0.023 20 0 GCADHN O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001571210874 953075346 /nfs/dbraw/zinc/07/53/46/953075346.db2.gz ZEHMTLLILSCVQY-CHWSQXEVSA-N 0 3 382.432 0.168 20 0 GCADHN O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001571210874 953075351 /nfs/dbraw/zinc/07/53/51/953075351.db2.gz ZEHMTLLILSCVQY-CHWSQXEVSA-N 0 3 382.432 0.168 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001571211785 953080753 /nfs/dbraw/zinc/08/07/53/953080753.db2.gz GLZUDMAKOKFLNZ-AWEZNQCLSA-N 0 3 382.472 0.608 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001571211785 953080756 /nfs/dbraw/zinc/08/07/56/953080756.db2.gz GLZUDMAKOKFLNZ-AWEZNQCLSA-N 0 3 382.472 0.608 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001571212474 953088811 /nfs/dbraw/zinc/08/88/11/953088811.db2.gz MJEVXVANHCRSFV-AWEZNQCLSA-N 0 3 382.472 0.703 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001571212474 953088815 /nfs/dbraw/zinc/08/88/15/953088815.db2.gz MJEVXVANHCRSFV-AWEZNQCLSA-N 0 3 382.472 0.703 20 0 GCADHN CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571213670 953096525 /nfs/dbraw/zinc/09/65/25/953096525.db2.gz STYNSEBQCAVFCF-ZOBUZTSGSA-N 0 3 382.472 0.926 20 0 GCADHN CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571213670 953096529 /nfs/dbraw/zinc/09/65/29/953096529.db2.gz STYNSEBQCAVFCF-ZOBUZTSGSA-N 0 3 382.472 0.926 20 0 GCADHN Cc1nc(N2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571218797 953119007 /nfs/dbraw/zinc/11/90/07/953119007.db2.gz RHLOITCTSRFUKY-HIFRSBDPSA-N 0 3 382.472 0.749 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001571230264 953175548 /nfs/dbraw/zinc/17/55/48/953175548.db2.gz BTGHNYVQNCQUPO-HOTGVXAUSA-N 0 3 383.456 0.568 20 0 GCADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001571230264 953175550 /nfs/dbraw/zinc/17/55/50/953175550.db2.gz BTGHNYVQNCQUPO-HOTGVXAUSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)[C@H]2C)C1 ZINC001571230929 953181453 /nfs/dbraw/zinc/18/14/53/953181453.db2.gz NOPQNDJUTGDWBK-SJKOYZFVSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)[C@H]2C)C1 ZINC001571230929 953181456 /nfs/dbraw/zinc/18/14/56/953181456.db2.gz NOPQNDJUTGDWBK-SJKOYZFVSA-N 0 3 383.456 0.424 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571231205 953184195 /nfs/dbraw/zinc/18/41/95/953184195.db2.gz VEICRVYQLSXKET-QGZVFWFLSA-N 0 3 383.456 0.426 20 0 GCADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571231205 953184196 /nfs/dbraw/zinc/18/41/96/953184196.db2.gz VEICRVYQLSXKET-QGZVFWFLSA-N 0 3 383.456 0.426 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CN1CCCC1=O ZINC001571231461 953184893 /nfs/dbraw/zinc/18/48/93/953184893.db2.gz XLFGUFOQFDDFPE-BBRMVZONSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CN1CCCC1=O ZINC001571231461 953184896 /nfs/dbraw/zinc/18/48/96/953184896.db2.gz XLFGUFOQFDDFPE-BBRMVZONSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)CN1CCCC1=O ZINC001571231462 953184901 /nfs/dbraw/zinc/18/49/01/953184901.db2.gz XLFGUFOQFDDFPE-CJNGLKHVSA-N 0 3 383.456 0.568 20 0 GCADHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)CN1CCCC1=O ZINC001571231462 953184904 /nfs/dbraw/zinc/18/49/04/953184904.db2.gz XLFGUFOQFDDFPE-CJNGLKHVSA-N 0 3 383.456 0.568 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571232028 953185435 /nfs/dbraw/zinc/18/54/35/953185435.db2.gz APDOIHMPNQUFOU-CVEARBPZSA-N 0 3 383.456 0.616 20 0 GCADHN O=C(C[C@H]1CCC(=O)N1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571232028 953185436 /nfs/dbraw/zinc/18/54/36/953185436.db2.gz APDOIHMPNQUFOU-CVEARBPZSA-N 0 3 383.456 0.616 20 0 GCADHN O=C([C@@H]1CCC(=O)NC1)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571232492 953187505 /nfs/dbraw/zinc/18/75/05/953187505.db2.gz GTIINDIUGBEAIB-GDBMZVCRSA-N 0 3 383.456 0.331 20 0 GCADHN O=C([C@@H]1CCC(=O)NC1)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571232492 953187509 /nfs/dbraw/zinc/18/75/09/953187509.db2.gz GTIINDIUGBEAIB-GDBMZVCRSA-N 0 3 383.456 0.331 20 0 GCADHN C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571232676 953188683 /nfs/dbraw/zinc/18/86/83/953188683.db2.gz IZWMCWHJZKNQBA-GXTWGEPZSA-N 0 3 383.460 0.544 20 0 GCADHN O=C(CN1CCCCC1=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571232864 953189386 /nfs/dbraw/zinc/18/93/86/953189386.db2.gz LOQFQQFRPBYWQJ-WKILWMFISA-N 0 3 383.456 0.616 20 0 GCADHN O=C(CN1CCCCC1=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571232864 953189388 /nfs/dbraw/zinc/18/93/88/953189388.db2.gz LOQFQQFRPBYWQJ-WKILWMFISA-N 0 3 383.456 0.616 20 0 GCADHN C[C@H]1CN(C(=O)c2ccnn2C)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571239068 953235783 /nfs/dbraw/zinc/23/57/83/953235783.db2.gz FSFPEXSXHSWFHK-XHDPSFHLSA-N 0 3 384.419 0.990 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571239554 953240847 /nfs/dbraw/zinc/24/08/47/953240847.db2.gz MIGCEHUCGNPOPF-MLGOLLRUSA-N 0 3 384.419 0.839 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571239554 953240848 /nfs/dbraw/zinc/24/08/48/953240848.db2.gz MIGCEHUCGNPOPF-MLGOLLRUSA-N 0 3 384.419 0.839 20 0 GCADHN C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571239704 953242282 /nfs/dbraw/zinc/24/22/82/953242282.db2.gz QNRIJZOXVWKYIP-IAQYHMDHSA-N 0 3 384.419 0.908 20 0 GCADHN C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571239704 953242285 /nfs/dbraw/zinc/24/22/85/953242285.db2.gz QNRIJZOXVWKYIP-IAQYHMDHSA-N 0 3 384.419 0.908 20 0 GCADHN O=C(N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@]12C[C@H]1COC2 ZINC001571241745 953249943 /nfs/dbraw/zinc/24/99/43/953249943.db2.gz KNTCRJGJBDGSNX-FCEWJHQRSA-N 0 3 384.440 0.220 20 0 GCADHN COC(=O)[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571241948 953251303 /nfs/dbraw/zinc/25/13/03/953251303.db2.gz QLJMSNJWTSLYIE-YOENINGUSA-N 0 3 384.440 0.660 20 0 GCADHN COC(=O)[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571241948 953251306 /nfs/dbraw/zinc/25/13/06/953251306.db2.gz QLJMSNJWTSLYIE-YOENINGUSA-N 0 3 384.440 0.660 20 0 GCADHN Cn1cc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)cn1 ZINC001571242209 953253953 /nfs/dbraw/zinc/25/39/53/953253953.db2.gz WPGFSJKVPRYQCR-SHTZXODSSA-N 0 3 384.419 0.719 20 0 GCADHN Cn1cc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)cn1 ZINC001571242209 953253955 /nfs/dbraw/zinc/25/39/55/953253955.db2.gz WPGFSJKVPRYQCR-SHTZXODSSA-N 0 3 384.419 0.719 20 0 GCADHN CC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001571242386 953256580 /nfs/dbraw/zinc/25/65/80/953256580.db2.gz FFMKOBWQQDMEHK-AWEZNQCLSA-N 0 3 384.444 0.019 20 0 GCADHN CC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001571242386 953256582 /nfs/dbraw/zinc/25/65/82/953256582.db2.gz FFMKOBWQQDMEHK-AWEZNQCLSA-N 0 3 384.444 0.019 20 0 GCADHN CN1CC[C@H]([NH2+]C2CC3(CC(NC(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)C1=O ZINC001571242904 953261107 /nfs/dbraw/zinc/26/11/07/953261107.db2.gz QTVJJFXYEXIBNV-OSADNGPVSA-N 0 3 384.444 0.056 20 0 GCADHN CC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@H]1[NH2+]Cc1cnnn1C ZINC001571245018 953269027 /nfs/dbraw/zinc/26/90/27/953269027.db2.gz CNOBINMMFLOCGT-BXUZGUMPSA-N 0 3 384.448 0.354 20 0 GCADHN CC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@H]1[NH2+]Cc1cnnn1C ZINC001571245018 953269028 /nfs/dbraw/zinc/26/90/28/953269028.db2.gz CNOBINMMFLOCGT-BXUZGUMPSA-N 0 3 384.448 0.354 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1 ZINC001571245487 953273916 /nfs/dbraw/zinc/27/39/16/953273916.db2.gz JIAUBZGXMSVQPP-BONVTDFDSA-N 0 3 384.448 0.153 20 0 GCADHN Cc1nc(C)n(CC[NH2+][C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1 ZINC001571245487 953273920 /nfs/dbraw/zinc/27/39/20/953273920.db2.gz JIAUBZGXMSVQPP-BONVTDFDSA-N 0 3 384.448 0.153 20 0 GCADHN CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)[C@H](c2cnn(C)c2)C1 ZINC001571246024 953279294 /nfs/dbraw/zinc/27/92/94/953279294.db2.gz QZWGHCJZAVKERA-OCCSQVGLSA-N 0 3 384.448 0.776 20 0 GCADHN CC(C)[N@H+]1CC[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)[C@H](c2cnn(C)c2)C1 ZINC001571246024 953279298 /nfs/dbraw/zinc/27/92/98/953279298.db2.gz QZWGHCJZAVKERA-OCCSQVGLSA-N 0 3 384.448 0.776 20 0 GCADHN CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)[C@@H](c2cnn(C)c2)C1 ZINC001571246025 953279664 /nfs/dbraw/zinc/27/96/64/953279664.db2.gz QZWGHCJZAVKERA-TZMCWYRMSA-N 0 3 384.448 0.776 20 0 GCADHN CC(C)[N@H+]1CC[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)[C@@H](c2cnn(C)c2)C1 ZINC001571246025 953279667 /nfs/dbraw/zinc/27/96/67/953279667.db2.gz QZWGHCJZAVKERA-TZMCWYRMSA-N 0 3 384.448 0.776 20 0 GCADHN O=C(N[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571248555 953294407 /nfs/dbraw/zinc/29/44/07/953294407.db2.gz GMXZVHLVKCOVOL-HAQNSBGRSA-N 0 3 384.444 0.200 20 0 GCADHN C[C@@H]1[C@H](C(=O)NCC2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC[N@@H+]1C ZINC001571252253 953325585 /nfs/dbraw/zinc/32/55/85/953325585.db2.gz IYCKBYKOWNGAMQ-UKRRQHHQSA-N 0 3 384.488 0.935 20 0 GCADHN C[C@@H]1[C@H](C(=O)NCC2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC[N@H+]1C ZINC001571252253 953325588 /nfs/dbraw/zinc/32/55/88/953325588.db2.gz IYCKBYKOWNGAMQ-UKRRQHHQSA-N 0 3 384.488 0.935 20 0 GCADHN C[C@@H]1[C@H](C(=O)NCC2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC[N@@H+]1C ZINC001571252253 953325589 /nfs/dbraw/zinc/32/55/89/953325589.db2.gz IYCKBYKOWNGAMQ-UKRRQHHQSA-N 0 3 384.488 0.935 20 0 GCADHN C[C@@H]1[C@H](C(=O)NCC2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC[N@H+]1C ZINC001571252253 953325592 /nfs/dbraw/zinc/32/55/92/953325592.db2.gz IYCKBYKOWNGAMQ-UKRRQHHQSA-N 0 3 384.488 0.935 20 0 GCADHN O=C(NC1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1)[C@H]1CNC(=O)N1 ZINC001571252217 953325636 /nfs/dbraw/zinc/32/56/36/953325636.db2.gz ZCHINCKVMVOBKE-SSDMNJCBSA-N 0 3 384.444 0.065 20 0 GCADHN O=C(NC1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1)[C@H]1CNC(=O)N1 ZINC001571252217 953325639 /nfs/dbraw/zinc/32/56/39/953325639.db2.gz ZCHINCKVMVOBKE-SSDMNJCBSA-N 0 3 384.444 0.065 20 0 GCADHN CN(C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571252443 953328268 /nfs/dbraw/zinc/32/82/68/953328268.db2.gz MSDFAFJPSGWWBA-CQSZACIVSA-N 0 3 384.488 0.888 20 0 GCADHN CN(C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571252443 953328269 /nfs/dbraw/zinc/32/82/69/953328269.db2.gz MSDFAFJPSGWWBA-CQSZACIVSA-N 0 3 384.488 0.888 20 0 GCADHN Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)CN2CCCC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571252579 953331041 /nfs/dbraw/zinc/33/10/41/953331041.db2.gz QGXRRCVUBUENRY-HZPDHXFCSA-N 0 3 384.488 0.927 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571252903 953333763 /nfs/dbraw/zinc/33/37/63/953333763.db2.gz YODJTBYAJIEVQJ-LSDHHAIUSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571252903 953333765 /nfs/dbraw/zinc/33/37/65/953333765.db2.gz YODJTBYAJIEVQJ-LSDHHAIUSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571252903 953333767 /nfs/dbraw/zinc/33/37/67/953333767.db2.gz YODJTBYAJIEVQJ-LSDHHAIUSA-N 0 3 384.488 0.949 20 0 GCADHN CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571252903 953333770 /nfs/dbraw/zinc/33/37/70/953333770.db2.gz YODJTBYAJIEVQJ-LSDHHAIUSA-N 0 3 384.488 0.949 20 0 GCADHN O=C(CN1C[C@H]2COC[C@@]2(C(=O)[O-])C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001594694658 956762667 /nfs/dbraw/zinc/76/26/67/956762667.db2.gz KSNCMNHKXLLCBK-RXVVDRJESA-N 0 3 387.480 0.932 20 0 GCADHN COc1cc(C[NH2+]C2CCN(CC(=O)[O-])CC2)cc(Cl)c1OCC(N)=O ZINC001594058271 958057171 /nfs/dbraw/zinc/05/71/71/958057171.db2.gz JMQGCCMBFINQPP-UHFFFAOYSA-N 0 3 385.848 0.851 20 0 GCADHN C[C@H](C(=O)NCC(=O)[O-])N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000736209679 978309679 /nfs/dbraw/zinc/30/96/79/978309679.db2.gz USGOQMPJWAZRON-CRAIPNDOSA-N 0 3 377.485 0.953 20 0 GCADHN Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC000910180173 981776945 /nfs/dbraw/zinc/77/69/45/981776945.db2.gz SSTGQCOFDCXZMT-HZPDHXFCSA-N 0 3 377.489 0.463 20 0 GCADHN Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cn1 ZINC000910180173 981776952 /nfs/dbraw/zinc/77/69/52/981776952.db2.gz SSTGQCOFDCXZMT-HZPDHXFCSA-N 0 3 377.489 0.463 20 0 GCADHN CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C(=O)[O-])c3ccnn3C)CC2)CC1 ZINC001596409083 983988321 /nfs/dbraw/zinc/98/83/21/983988321.db2.gz TYPSNOAMNHPMJG-KRWDZBQOSA-N 0 3 377.489 0.858 20 0 GCADHN CC(C)(C(=O)[O-])N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC001589623912 987518583 /nfs/dbraw/zinc/51/85/83/987518583.db2.gz UADALLAMXHJRPP-SJORKVTESA-N 0 3 396.532 0.945 20 0 GCADHN C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001599836031 988744894 /nfs/dbraw/zinc/74/48/94/988744894.db2.gz ONYJZBPFMPVRSR-QCTRZYONSA-N 0 3 384.521 0.970 20 0 GCADHN C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001599836031 988744905 /nfs/dbraw/zinc/74/49/05/988744905.db2.gz ONYJZBPFMPVRSR-QCTRZYONSA-N 0 3 384.521 0.970 20 0 GCADHN CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001598225693 990917481 /nfs/dbraw/zinc/91/74/81/990917481.db2.gz RKOVZXBAIGYGRV-UHFFFAOYSA-N 0 3 384.864 0.929 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)c1 ZINC000264176795 530152940 /nfs/dbraw/zinc/15/29/40/530152940.db2.gz JLCVANZHRUICAB-CYBMUJFWSA-N 0 3 375.516 0.509 20 0 GCADHN NS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000643603247 530153109 /nfs/dbraw/zinc/15/31/09/530153109.db2.gz OGIDDJDZLMKPNH-UHFFFAOYSA-N 0 3 382.467 0.240 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(C)S(C)(=O)=O)s1 ZINC000264243701 530154520 /nfs/dbraw/zinc/15/45/20/530154520.db2.gz NSURWURNYUZCAD-NSHDSACASA-N 0 3 396.556 0.870 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(C)S(C)(=O)=O)s1 ZINC000264243700 530154877 /nfs/dbraw/zinc/15/48/77/530154877.db2.gz NSURWURNYUZCAD-LLVKDONJSA-N 0 3 396.556 0.870 20 0 GCADHN CN(C)C[C@H]1CN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CCO1 ZINC000116796816 530115026 /nfs/dbraw/zinc/11/50/26/530115026.db2.gz IBFCHWZYYBOANS-NSHDSACASA-N 0 3 388.262 0.903 20 0 GCADHN Cn1ncc(NCC(=O)NCCN2CCCCCC2)c(Br)c1=O ZINC000571476823 530121334 /nfs/dbraw/zinc/12/13/34/530121334.db2.gz GPRPAUSXLGVSCD-UHFFFAOYSA-N 0 3 386.294 0.947 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000408470114 530127219 /nfs/dbraw/zinc/12/72/19/530127219.db2.gz VFVHIOMOQBWBOK-UONOGXRCSA-N 0 3 375.539 0.335 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000262053015 530130757 /nfs/dbraw/zinc/13/07/57/530130757.db2.gz 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530138262 /nfs/dbraw/zinc/13/82/62/530138262.db2.gz WQZRZZGCOVZZNY-UHFFFAOYSA-N 0 3 376.523 0.103 20 0 GCADHN O=C(CNS(=O)(=O)c1cccs1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000625183338 530140803 /nfs/dbraw/zinc/14/08/03/530140803.db2.gz NBKMCWPYPDZAHF-AWEZNQCLSA-N 0 3 387.527 0.740 20 0 GCADHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)[C@@H](C)C(=O)NC1CCCC1 ZINC000414232194 530141558 /nfs/dbraw/zinc/14/15/58/530141558.db2.gz WIBXYSOZHSEXKE-NEPJUHHUSA-N 0 3 376.475 0.305 20 0 GCADHN CC(C)OC(=O)CNC(=O)[C@@H](C)S(=O)(=O)C(C)C(=O)NC1CCCC1 ZINC000414232194 530141560 /nfs/dbraw/zinc/14/15/60/530141560.db2.gz WIBXYSOZHSEXKE-NEPJUHHUSA-N 0 3 376.475 0.305 20 0 GCADHN CC(C)OC(=O)CNC(=O)[C@@H](C)S(=O)(=O)C(C)C(=O)N1CCCCC1 ZINC000414230898 530141904 /nfs/dbraw/zinc/14/19/04/530141904.db2.gz UIKSJVSEXOTJTI-CHWSQXEVSA-N 0 3 376.475 0.259 20 0 GCADHN CCN1CCC(NC(=O)CN(CCCOC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000533520512 530141892 /nfs/dbraw/zinc/14/18/92/530141892.db2.gz CBIHTFGKJUZBPU-INIZCTEOSA-N 0 3 375.535 0.113 20 0 GCADHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)[C@H](C)C(=O)N1CCCCC1 ZINC000414230898 530141906 /nfs/dbraw/zinc/14/19/06/530141906.db2.gz UIKSJVSEXOTJTI-CHWSQXEVSA-N 0 3 376.475 0.259 20 0 GCADHN C[C@H](N)[C@@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000647876306 530142440 /nfs/dbraw/zinc/14/24/40/530142440.db2.gz VPJBEEZDMFQAOG-GWCFXTLKSA-N 0 3 391.287 0.797 20 0 GCADHN C[C@@H](N)[C@@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CCO1 ZINC000647876308 530142729 /nfs/dbraw/zinc/14/27/29/530142729.db2.gz VPJBEEZDMFQAOG-MFKMUULPSA-N 0 3 391.287 0.797 20 0 GCADHN CCO[C@@H](CS(=O)(=O)NCC(=O)NCCN1CCCCCC1)C1CC1 ZINC000625228100 530144004 /nfs/dbraw/zinc/14/40/04/530144004.db2.gz WQTXVDXQWPTLDH-INIZCTEOSA-N 0 3 375.535 0.713 20 0 GCADHN COCCN(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000263708314 530144521 /nfs/dbraw/zinc/14/45/21/530144521.db2.gz CVGUYXFCHVSMGT-UHFFFAOYSA-N 0 3 377.894 0.898 20 0 GCADHN O=C(CNC(=O)c1cccc(Br)c1)NC[C@]1(O)CN2CCC1CC2 ZINC000556849853 530189140 /nfs/dbraw/zinc/18/91/40/530189140.db2.gz CPMYLWSEKVWJGD-KRWDZBQOSA-N 0 3 396.285 0.752 20 0 GCADHN C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)N1CCC[C@@H](C)C1 ZINC000046365140 530194209 /nfs/dbraw/zinc/19/42/09/530194209.db2.gz HYQMEVHOLDQHLY-CABCVRRESA-N 0 3 375.539 0.240 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2cc(F)ccc2Br)[C@@H](CN)C1 ZINC000557265107 530194573 /nfs/dbraw/zinc/19/45/73/530194573.db2.gz DAAFQXHGKJJEGS-LBPRGKRZSA-N 0 3 387.253 0.306 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000557297353 530194735 /nfs/dbraw/zinc/19/47/35/530194735.db2.gz BSFNGADCXKCWGS-UHFFFAOYSA-N 0 3 378.479 0.335 20 0 GCADHN C[C@H](C[S@](C)=O)Nc1nc(N[C@@H](C)C[S@](C)=O)nc(NC(C)(C)C)n1 ZINC000557632434 530198396 /nfs/dbraw/zinc/19/83/96/530198396.db2.gz TYXOWJRNTDWKKW-FCCDTPIQSA-N 0 3 390.579 0.284 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000266247888 530198734 /nfs/dbraw/zinc/19/87/34/530198734.db2.gz XGOPBFUXSIRJTD-SWLSCSKDSA-N 0 3 375.516 0.555 20 0 GCADHN Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)C(C)S(C)(=O)=O ZINC000557718104 530199139 /nfs/dbraw/zinc/19/91/39/530199139.db2.gz WKTCZHBKKVZKTK-SNVBAGLBSA-N 0 3 382.891 0.476 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOCCC[NH3+])cc1F ZINC000624408212 530204144 /nfs/dbraw/zinc/20/41/44/530204144.db2.gz JRFPIQZKYIYBJP-UHFFFAOYSA-N 0 3 383.467 0.231 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCOCC[NH3+])c(OC)c1 ZINC000624409728 530204554 /nfs/dbraw/zinc/20/45/54/530204554.db2.gz NWRXBMKFPWKVEF-UHFFFAOYSA-N 0 3 395.503 0.053 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1 ZINC000530784054 530158702 /nfs/dbraw/zinc/15/87/02/530158702.db2.gz BLYHPZRKLHTUCB-SNVBAGLBSA-N 0 3 385.262 0.544 20 0 GCADHN CC(C)(C)NS(=O)(=O)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000530810968 530159493 /nfs/dbraw/zinc/15/94/93/530159493.db2.gz CABZVGMJIUUIEY-UHFFFAOYSA-N 0 3 375.535 0.856 20 0 GCADHN CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000264610420 530162974 /nfs/dbraw/zinc/16/29/74/530162974.db2.gz 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ZINC000647088027 530169920 /nfs/dbraw/zinc/16/99/20/530169920.db2.gz BQNOXXZXKCAPQV-CJNGLKHVSA-N 0 3 387.527 0.771 20 0 GCADHN [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000647088028 530169944 /nfs/dbraw/zinc/16/99/44/530169944.db2.gz BQNOXXZXKCAPQV-CZUORRHYSA-N 0 3 387.527 0.771 20 0 GCADHN Cc1nn(C)c(CNCCCCN2CCN(CCO)CC2)c1Br ZINC000447943163 530177467 /nfs/dbraw/zinc/17/74/67/530177467.db2.gz JHBNDYPJGWJOJD-UHFFFAOYSA-N 0 3 388.354 0.971 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000559161546 530223743 /nfs/dbraw/zinc/22/37/43/530223743.db2.gz VGBJVNBCNLZQKR-NXEZZACHSA-N 0 3 379.422 0.778 20 0 GCADHN C[C@@H](NC(=O)CCn1cc(Br)ccc1=O)C(=O)NCCN(C)C ZINC000518398179 530228029 /nfs/dbraw/zinc/22/80/29/530228029.db2.gz WCSUGNUFFFGFIH-LLVKDONJSA-N 0 3 387.278 0.183 20 0 GCADHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268642605 530230519 /nfs/dbraw/zinc/23/05/19/530230519.db2.gz RTOIWYDUQLVWHU-HOCLYGCPSA-N 0 3 389.543 0.567 20 0 GCADHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000268642607 530230650 /nfs/dbraw/zinc/23/06/50/530230650.db2.gz RTOIWYDUQLVWHU-ZBFHGGJFSA-N 0 3 389.543 0.567 20 0 GCADHN COCCN(C)CCCNC(=O)NCc1cc(S(C)(=O)=O)ccc1F ZINC000409682280 530230765 /nfs/dbraw/zinc/23/07/65/530230765.db2.gz YMIUHBAQSWDZHL-UHFFFAOYSA-N 0 3 375.466 0.997 20 0 GCADHN O=S(=O)(NCCNC1CC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000647210284 530231169 /nfs/dbraw/zinc/23/11/69/530231169.db2.gz YISFQLFSCLZFGF-UHFFFAOYSA-N 0 3 387.527 0.892 20 0 GCADHN CCN(CCCN[C@@H](C)c1cccc(S(=O)(=O)NC)c1)S(C)(=O)=O ZINC000268768744 530232180 /nfs/dbraw/zinc/23/21/80/530232180.db2.gz CYQHFVKEVFUDMT-ZDUSSCGKSA-N 0 3 377.532 0.917 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000268781935 530232413 /nfs/dbraw/zinc/23/24/13/530232413.db2.gz ITCUQFQJCLUGAG-XJKSGUPXSA-N 0 3 387.527 0.700 20 0 GCADHN CC(C(=O)NC[C@H](O)COc1ccccc1Br)S(C)(=O)=O ZINC000268936336 530234051 /nfs/dbraw/zinc/23/40/51/530234051.db2.gz YVLXYROGRMHVEF-UWVGGRQHSA-N 0 3 380.260 0.738 20 0 GCADHN COCCN(C)CCNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 ZINC000269371556 530239935 /nfs/dbraw/zinc/23/99/35/530239935.db2.gz TWQZEOULKHNATC-UHFFFAOYSA-N 0 3 378.520 0.212 20 0 GCADHN COCCN(CCN(C)C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000269494915 530241896 /nfs/dbraw/zinc/24/18/96/530241896.db2.gz SXWCRAQSXGVYEH-UHFFFAOYSA-N 0 3 392.547 0.588 20 0 GCADHN CCN1CCN(CCNC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000098035769 530245619 /nfs/dbraw/zinc/24/56/19/530245619.db2.gz JEYAKRASPPSDST-UHFFFAOYSA-N 0 3 382.266 0.254 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000269769204 530248366 /nfs/dbraw/zinc/24/83/66/530248366.db2.gz KLJITKNUBDHNCK-GFCCVEGCSA-N 0 3 375.926 0.869 20 0 GCADHN CN(CCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)Cc1ccccc1 ZINC000053349277 530248903 /nfs/dbraw/zinc/24/89/03/530248903.db2.gz RMADKPYBZWQHOS-UHFFFAOYSA-N 0 3 395.257 0.547 20 0 GCADHN [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C[N-]S(=O)(=O)c3cccs3)C2)C1 ZINC000653189510 530249955 /nfs/dbraw/zinc/24/99/55/530249955.db2.gz YNLHIPDYNCEFMO-MJBXVCDLSA-N 0 3 387.527 0.771 20 0 GCADHN [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C[N-]S(=O)(=O)c3cccs3)C2)C1 ZINC000653189507 530250022 /nfs/dbraw/zinc/25/00/22/530250022.db2.gz YNLHIPDYNCEFMO-BFHYXJOUSA-N 0 3 387.527 0.771 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(S(=O)(=O)NC)cs2)CC1 ZINC000267162583 530209543 /nfs/dbraw/zinc/20/95/43/530209543.db2.gz QVVOOBKYVHVORR-ZDUSSCGKSA-N 0 3 388.559 0.660 20 0 GCADHN CCN(C)C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000267238350 530210512 /nfs/dbraw/zinc/21/05/12/530210512.db2.gz MFHHADUPQUUYPP-LBPRGKRZSA-N 0 3 375.516 0.516 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)[N-]CCN2CCC([NH+](C)C)CC2)s1 ZINC000267234075 530210630 /nfs/dbraw/zinc/21/06/30/530210630.db2.gz WHETUUUHGPWMLW-UHFFFAOYSA-N 0 3 375.516 0.839 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)CCSC1 ZINC000267287342 530211419 /nfs/dbraw/zinc/21/14/19/530211419.db2.gz HXNPXRKMAYJNMY-MRXNPFEDSA-N 0 3 385.511 0.582 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCSC1 ZINC000267419779 530212518 /nfs/dbraw/zinc/21/25/18/530212518.db2.gz ZITXPUURQSEPSC-MRXNPFEDSA-N 0 3 384.889 0.931 20 0 GCADHN CS[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H]1N(C)C ZINC000536470804 530250686 /nfs/dbraw/zinc/25/06/86/530250686.db2.gz DJZSQCZSLYKGHY-TUKIKUTGSA-N 0 3 386.543 0.638 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2cc(Br)cn(C)c2=O)CC1=O ZINC000267671723 530215342 /nfs/dbraw/zinc/21/53/42/530215342.db2.gz JUWZSVATQFAPQK-JTQLQIEISA-N 0 3 385.262 0.496 20 0 GCADHN C[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@H]1N(C)C ZINC000268106114 530221512 /nfs/dbraw/zinc/22/15/12/530221512.db2.gz BXOYBNLZWQRTPI-CZUORRHYSA-N 0 3 387.527 0.797 20 0 GCADHN CN(C)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1O ZINC000583450364 530274436 /nfs/dbraw/zinc/27/44/36/530274436.db2.gz ODHRCDJNBGNLKZ-STQMWFEESA-N 0 3 396.296 0.405 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1CNCCO1 ZINC000648177418 530274483 /nfs/dbraw/zinc/27/44/83/530274483.db2.gz ZSWQPJMSGNCPDX-VIFPVBQESA-N 0 3 382.269 0.376 20 0 GCADHN CN1CC[C@](O)(CNC(=O)COc2cccc(I)c2)C1 ZINC000427473171 530275535 /nfs/dbraw/zinc/27/55/35/530275535.db2.gz UXUZMFSSMGOBJH-AWEZNQCLSA-N 0 3 390.221 0.853 20 0 GCADHN CC1CCN(CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000561485963 530279248 /nfs/dbraw/zinc/27/92/48/530279248.db2.gz TXCVVPWOQGYPAH-LBPRGKRZSA-N 0 3 388.456 0.840 20 0 GCADHN CCN(CCN1CCCCCC1)S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000561549621 530280632 /nfs/dbraw/zinc/28/06/32/530280632.db2.gz LLKYYANOGFEJEG-UHFFFAOYSA-N 0 3 383.580 0.796 20 0 GCADHN CN(C)[C@]1(CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)CCSC1 ZINC000531128490 530282257 /nfs/dbraw/zinc/28/22/57/530282257.db2.gz RFCHBJYWIGZUCI-IRXDYDNUSA-N 0 3 388.603 0.931 20 0 GCADHN COc1cc(Br)cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000565044316 530282494 /nfs/dbraw/zinc/28/24/94/530282494.db2.gz NNVWZKFYLKZOPU-LLVKDONJSA-N 0 3 378.292 0.721 20 0 GCADHN COC[C@]1(C[N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)CCC[NH2+]1 ZINC000647297001 530282505 /nfs/dbraw/zinc/28/25/05/530282505.db2.gz HUVBNXNMNVKKDV-IAQYHMDHSA-N 0 3 375.516 0.992 20 0 GCADHN CCNC(=O)NC(=O)[C@@H](C)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 ZINC000561788389 530284104 /nfs/dbraw/zinc/28/41/04/530284104.db2.gz YHHYHYDCRKLXEX-QWHCGFSZSA-N 0 3 376.523 0.603 20 0 GCADHN C[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)N(C)C ZINC000273053370 530285149 /nfs/dbraw/zinc/28/51/49/530285149.db2.gz VTUGICOPHQWGEX-ZLDLUXBVSA-N 0 3 389.905 0.530 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)N(C)C ZINC000273053366 530285260 /nfs/dbraw/zinc/28/52/60/530285260.db2.gz VTUGICOPHQWGEX-LNSITVRQSA-N 0 3 389.905 0.530 20 0 GCADHN O=C([C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCN(c2ccncc2)CC1 ZINC000635133256 530285492 /nfs/dbraw/zinc/28/54/92/530285492.db2.gz RSKKWPDCUUHJDR-STQMWFEESA-N 0 3 377.388 0.953 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000273414574 530288397 /nfs/dbraw/zinc/28/83/97/530288397.db2.gz JJVCXNFYHWGDCQ-CYBMUJFWSA-N 0 3 389.543 0.946 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131326163 530288874 /nfs/dbraw/zinc/28/88/74/530288874.db2.gz BNQOYKNNLQXHBS-GFCCVEGCSA-N 0 3 399.289 0.776 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000132080875 530290348 /nfs/dbraw/zinc/29/03/48/530290348.db2.gz ZBNUESXJQHLTPT-CQSZACIVSA-N 0 3 376.226 0.956 20 0 GCADHN CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000262732118 530291384 /nfs/dbraw/zinc/29/13/84/530291384.db2.gz DOFVHZNRAQOFEG-NSHDSACASA-N 0 3 379.479 0.960 20 0 GCADHN C[NH+](C)C[C@@](C)(O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000269871807 530252959 /nfs/dbraw/zinc/25/29/59/530252959.db2.gz IEAXWNDNPWAKGU-ZDUSSCGKSA-N 0 3 398.938 0.292 20 0 GCADHN CCS(=O)(=O)CCS(=O)(=O)C(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000274140044 530293332 /nfs/dbraw/zinc/29/33/32/530293332.db2.gz DESDALCXAHRLRE-OCCSQVGLSA-N 0 3 389.495 0.864 20 0 GCADHN CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000113197238 530261331 /nfs/dbraw/zinc/26/13/31/530261331.db2.gz SVOUPGTYAIBABM-NSHDSACASA-N 0 3 387.278 0.680 20 0 GCADHN CC[C@H]1CCCC[N@H+]1CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000113197238 530261333 /nfs/dbraw/zinc/26/13/33/530261333.db2.gz SVOUPGTYAIBABM-NSHDSACASA-N 0 3 387.278 0.680 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000270618937 530262149 /nfs/dbraw/zinc/26/21/49/530262149.db2.gz SPDDRMRXXIICOK-UHFFFAOYSA-N 0 3 381.857 0.777 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1 ZINC000270714435 530263363 /nfs/dbraw/zinc/26/33/63/530263363.db2.gz GYYRYPDWWWTGPG-CABCVRRESA-N 0 3 387.527 0.986 20 0 GCADHN COc1ccc(C(=O)NC[C@@](C)(O)CN(C)C)nc1I ZINC000270819491 530264606 /nfs/dbraw/zinc/26/46/06/530264606.db2.gz IDRVIMBSYFYSAM-CYBMUJFWSA-N 0 3 393.225 0.737 20 0 GCADHN COCCN(C)CCNC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000588933180 530266564 /nfs/dbraw/zinc/26/65/64/530266564.db2.gz UZCDIMALSJEKKW-UHFFFAOYSA-N 0 3 376.251 0.809 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000583355186 530266613 /nfs/dbraw/zinc/26/66/13/530266613.db2.gz HZJAQUVSZYXJPG-LSDHHAIUSA-N 0 3 375.539 0.431 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000271126637 530268390 /nfs/dbraw/zinc/26/83/90/530268390.db2.gz KXDNJKLRWKLVJR-BONVTDFDSA-N 0 3 392.283 0.949 20 0 GCADHN COCCNCCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl ZINC000271160780 530268780 /nfs/dbraw/zinc/26/87/80/530268780.db2.gz RXPKLLGLWOLSKN-UHFFFAOYSA-N 0 3 393.893 0.231 20 0 GCADHN NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](CN3CCCCC3)C2)cc1 ZINC000525697145 530295353 /nfs/dbraw/zinc/29/53/53/530295353.db2.gz UIISMGZLDBFOPC-CQSZACIVSA-N 0 3 387.527 0.831 20 0 GCADHN O=C(Nc1cc(F)c(F)cc1I)C(=O)NC1CNC1 ZINC000562757891 530295481 /nfs/dbraw/zinc/29/54/81/530295481.db2.gz QRUKCAHTRHRHMB-UHFFFAOYSA-N 0 3 381.120 0.596 20 0 GCADHN O=C(NCc1cc(Br)ccc1Br)C(=O)NC1CNC1 ZINC000562821918 530295627 /nfs/dbraw/zinc/29/56/27/530295627.db2.gz DIIVBNLGFSNAKJ-UHFFFAOYSA-N 0 3 391.063 0.916 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000562806316 530295722 /nfs/dbraw/zinc/29/57/22/530295722.db2.gz MUOSHXYANUIPKO-AOOOYVTPSA-N 0 3 378.907 0.541 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000562831414 530296341 /nfs/dbraw/zinc/29/63/41/530296341.db2.gz CSNHREYUOUQJQG-CQSZACIVSA-N 0 3 397.950 0.841 20 0 GCADHN CC(C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)S(C)(=O)=O ZINC000147432037 530298203 /nfs/dbraw/zinc/29/82/03/530298203.db2.gz CDDRIWJUBHUPTI-CYBMUJFWSA-N 0 3 388.511 0.637 20 0 GCADHN COCCNc1nnc(S(=O)(=O)C(C)C(=O)NC[C@H]2CCCO2)s1 ZINC000145979351 530298285 /nfs/dbraw/zinc/29/82/85/530298285.db2.gz HNNHZQPKUHWNFT-VHSXEESVSA-N 0 3 378.476 0.054 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000274595048 530298437 /nfs/dbraw/zinc/29/84/37/530298437.db2.gz RQSUZMRXFZYIDB-UHFFFAOYSA-N 0 3 387.527 0.935 20 0 GCADHN [NH3+]C[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000274741087 530299873 /nfs/dbraw/zinc/29/98/73/530299873.db2.gz FCNHOYUGCIPNNR-JTQLQIEISA-N 0 3 396.296 0.848 20 0 GCADHN CCCNc1nnc(S(=O)(=O)C(C)C(=O)N2CCN(C(C)=O)CC2)s1 ZINC000145827343 530304160 /nfs/dbraw/zinc/30/41/60/530304160.db2.gz SWONTFQUZWJPDF-JTQLQIEISA-N 0 3 389.503 0.213 20 0 GCADHN CN(C)[C@@]1(CNC(=O)NCCNS(=O)(=O)c2cccnc2)CCSC1 ZINC000448218290 530308105 /nfs/dbraw/zinc/30/81/05/530308105.db2.gz UKMLWOJWWYQRDE-OAHLLOKOSA-N 0 3 387.531 0.096 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CCC1 ZINC000275463673 530312031 /nfs/dbraw/zinc/31/20/31/530312031.db2.gz KOMFGXDRUUKPFH-UHFFFAOYSA-N 0 3 379.479 0.960 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000151561884 530312201 /nfs/dbraw/zinc/31/22/01/530312201.db2.gz WQFPEYXIYOGHCC-UHFFFAOYSA-N 0 3 384.278 0.536 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000518754875 530313002 /nfs/dbraw/zinc/31/30/02/530313002.db2.gz NDXSZCHXOOWEQE-UHFFFAOYSA-N 0 3 386.283 0.859 20 0 GCADHN CN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@@H]1CCCN(C)C1 ZINC000153404971 530316009 /nfs/dbraw/zinc/31/60/09/530316009.db2.gz SRHWWUUVCQHSQN-SNVBAGLBSA-N 0 3 397.277 0.445 20 0 GCADHN CN(C)[C@@]1(CNC(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CCSC1 ZINC000570158760 530316168 /nfs/dbraw/zinc/31/61/68/530316168.db2.gz AWYVURUABFMQOX-MRXNPFEDSA-N 0 3 382.511 0.466 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cncc(Br)c1)CN1CCN(C)CC1 ZINC000154144702 530318249 /nfs/dbraw/zinc/31/82/49/530318249.db2.gz CQURMPMDCKFKHX-GFCCVEGCSA-N 0 3 398.305 0.782 20 0 GCADHN CN(C)CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000155967763 530321629 /nfs/dbraw/zinc/32/16/29/530321629.db2.gz UEANLZGHSKSDCG-UHFFFAOYSA-N 0 3 385.877 0.611 20 0 GCADHN COC[C@H](C)OC[C@H](O)CN[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000570676553 530323263 /nfs/dbraw/zinc/32/32/63/530323263.db2.gz UZXKLOAKNRTROP-RRFJBIMHSA-N 0 3 392.543 0.903 20 0 GCADHN O=C(NCCNC[C@@H](O)COc1ccc(Br)cc1)c1ccn[nH]1 ZINC000570711096 530323415 /nfs/dbraw/zinc/32/34/15/530323415.db2.gz FUVQFKGUWMSHDU-GFCCVEGCSA-N 0 3 383.246 0.932 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1C[NH2+]CCC1(F)F ZINC000644150825 530326143 /nfs/dbraw/zinc/32/61/43/530326143.db2.gz DTDZIIYUFMCRSF-SNVBAGLBSA-N 0 3 383.367 0.604 20 0 GCADHN [NH3+][C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000158571787 530326951 /nfs/dbraw/zinc/32/69/51/530326951.db2.gz GPJNRDLIADHTGF-QMMMGPOBSA-N 0 3 382.305 0.739 20 0 GCADHN O=S1(=O)CCO[C@H](CNC[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000570920646 530327967 /nfs/dbraw/zinc/32/79/67/530327967.db2.gz SYLOLSRCXLSGSH-NWDGAFQWSA-N 0 3 383.388 0.848 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1C ZINC000644348647 530356108 /nfs/dbraw/zinc/35/61/08/530356108.db2.gz KWBWXSDOFKZQSZ-MRXNPFEDSA-N 0 3 387.527 0.619 20 0 GCADHN CNS(=O)(=O)CC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000175201257 530357243 /nfs/dbraw/zinc/35/72/43/530357243.db2.gz IWBNRRBCYDLPDX-UHFFFAOYSA-N 0 3 392.319 0.889 20 0 GCADHN CN(CCNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 ZINC000281245405 530357824 /nfs/dbraw/zinc/35/78/24/530357824.db2.gz NURSZGLFVYQUTK-UHFFFAOYSA-N 0 3 376.276 0.921 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)NCCCN1CCCCC1 ZINC000281799174 530363167 /nfs/dbraw/zinc/36/31/67/530363167.db2.gz OWVHPVGDJVVBIU-UHFFFAOYSA-N 0 3 375.516 0.749 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000282033364 530366043 /nfs/dbraw/zinc/36/60/43/530366043.db2.gz VLMVGLZNTDJKBH-KGLIPLIRSA-N 0 3 387.527 0.700 20 0 GCADHN CNS(=O)(=O)c1csc(C(=O)NCCCN2CCCO[C@H](C)C2)c1 ZINC000277393645 530331946 /nfs/dbraw/zinc/33/19/46/530331946.db2.gz DKWYPFWAYATTOD-GFCCVEGCSA-N 0 3 375.516 0.887 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCNC[C@@H]1CC[C@H](O)C1 ZINC000647529021 530333158 /nfs/dbraw/zinc/33/31/58/530333158.db2.gz ULGDRGKEVQFONG-KGLIPLIRSA-N 0 3 390.527 0.461 20 0 GCADHN CSC1(CNC(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)CCN(C)CC1 ZINC000462512464 530334725 /nfs/dbraw/zinc/33/47/25/530334725.db2.gz QGTRACUQMGOCDH-UONOGXRCSA-N 0 3 392.591 0.973 20 0 GCADHN CSC1(CNC(=O)CNS(=O)(=O)CCOC(C)C)CCN(C)CC1 ZINC000589475791 530345316 /nfs/dbraw/zinc/34/53/16/530345316.db2.gz CDNYCVYKHMVHIQ-UHFFFAOYSA-N 0 3 381.564 0.274 20 0 GCADHN CSC1(CNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CC[NH+](C)CC1 ZINC000589651595 530345809 /nfs/dbraw/zinc/34/58/09/530345809.db2.gz YFJIJYQHTIUOML-UHFFFAOYSA-N 0 3 390.531 0.513 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000589628324 530346182 /nfs/dbraw/zinc/34/61/82/530346182.db2.gz LZNTXNBXOGHZEY-CYBMUJFWSA-N 0 3 378.564 0.537 20 0 GCADHN O=S(=O)([N-]CC[NH2+]C[C@@H](O)COC1CCOCC1)c1ccc(Cl)s1 ZINC000562995857 530346650 /nfs/dbraw/zinc/34/66/50/530346650.db2.gz GNTZSVTWVXZXBB-LLVKDONJSA-N 0 3 398.934 0.826 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)S(C)(=O)=O ZINC000280091837 530350166 /nfs/dbraw/zinc/35/01/66/530350166.db2.gz ORMCHWVWUJAQAD-BXKDBHETSA-N 0 3 389.271 0.882 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N(C)C ZINC000643071489 530351068 /nfs/dbraw/zinc/35/10/68/530351068.db2.gz SKYAGYVIUQDQSA-JTQLQIEISA-N 0 3 390.893 0.595 20 0 GCADHN CC(C)[C@H](CCO)NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000460361645 530352354 /nfs/dbraw/zinc/35/23/54/530352354.db2.gz HQAUZCFIUYXIEC-JYJNAYRXSA-N 0 3 376.519 0.178 20 0 GCADHN CC(C)(CNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)CN1CCCC1 ZINC000280473610 530352822 /nfs/dbraw/zinc/35/28/22/530352822.db2.gz NDTZOUWNAMDHOZ-UHFFFAOYSA-N 0 3 375.516 0.885 20 0 GCADHN CC[NH+]1CCC(CCNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000174134696 530353390 /nfs/dbraw/zinc/35/33/90/530353390.db2.gz IMPMWZHXWWHRPH-UHFFFAOYSA-N 0 3 387.278 0.537 20 0 GCADHN CC(C(=O)N(C)[C@H](C(N)=O)c1cccc(Br)c1)S(C)(=O)=O ZINC000183722815 530374898 /nfs/dbraw/zinc/37/48/98/530374898.db2.gz LQLRUJYTDFZHTH-KCJUWKMLSA-N 0 3 377.260 0.867 20 0 GCADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1ccccc1Br ZINC000282916310 530375869 /nfs/dbraw/zinc/37/58/69/530375869.db2.gz GAVJHNRBHADZSW-QMMMGPOBSA-N 0 3 376.232 0.795 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000185311410 530377058 /nfs/dbraw/zinc/37/70/58/530377058.db2.gz XXMPHXQRLINPHZ-GFCCVEGCSA-N 0 3 388.921 0.743 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cscc3Br)CCN2C1=O ZINC000601343103 530379309 /nfs/dbraw/zinc/37/93/09/530379309.db2.gz KVEBBNQKGVIFBO-CBAPKCEASA-N 0 3 380.289 0.443 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)c1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000283434564 530379494 /nfs/dbraw/zinc/37/94/94/530379494.db2.gz QCRHCUSOVLIDKY-MNOVXSKESA-N 0 3 380.513 0.649 20 0 GCADHN C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000186859773 530379663 /nfs/dbraw/zinc/37/96/63/530379663.db2.gz NFHBAAPPSMQKCJ-IUCAKERBSA-N 0 3 396.332 0.903 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[C@H](N2CCCC2)C1 ZINC000364067773 530381058 /nfs/dbraw/zinc/38/10/58/530381058.db2.gz XRZJLKKQLMDIIS-AWEZNQCLSA-N 0 3 376.548 0.245 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)[C@H]1CCC[NH2+]C1 ZINC000497354427 530382311 /nfs/dbraw/zinc/38/23/11/530382311.db2.gz GYRKDSNEDBEBCP-QWRGUYRKSA-N 0 3 375.878 0.871 20 0 GCADHN O=C([C@H]1C[C@H](F)CN1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000188207135 530383109 /nfs/dbraw/zinc/38/31/09/530383109.db2.gz NEAIHPXMBXTUSS-GXTWGEPZSA-N 0 3 375.853 0.873 20 0 GCADHN CS(=O)(=O)N(CC(F)(F)F)C1CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC000497381943 530383233 /nfs/dbraw/zinc/38/32/33/530383233.db2.gz DNGVJSQJSPDTAQ-CYBMUJFWSA-N 0 3 384.424 0.532 20 0 GCADHN O=C([C@H]1C[C@H](F)CN1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000188245825 530383263 /nfs/dbraw/zinc/38/32/63/530383263.db2.gz AOBONIGZXGYWPC-WCQYABFASA-N 0 3 375.853 0.873 20 0 GCADHN COC(=O)[C@@H]1CCN(S(=O)(=O)CCCN2CCCC2)[C@H](C(=O)OC)C1 ZINC000601387827 530384382 /nfs/dbraw/zinc/38/43/82/530384382.db2.gz GYMRZMMAWDNYQR-KGLIPLIRSA-N 0 3 376.475 0.229 20 0 GCADHN COc1ccc(CN(C(=O)C(C)S(C)(=O)=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000497560262 530385734 /nfs/dbraw/zinc/38/57/34/530385734.db2.gz QDLRYLRSZXZQQW-TZMCWYRMSA-N 0 3 389.495 0.644 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1F ZINC000364218885 530387029 /nfs/dbraw/zinc/38/70/29/530387029.db2.gz ULPSKKDEIUYSGR-NSHDSACASA-N 0 3 395.478 0.326 20 0 GCADHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cc(Br)c[nH]2)cn1 ZINC000150728516 530387273 /nfs/dbraw/zinc/38/72/73/530387273.db2.gz HLAGINIFUZHPGG-UHFFFAOYSA-N 0 3 383.250 0.904 20 0 GCADHN CN(CCNC(=O)C(=O)NCCCCn1cc(Br)cn1)C1CC1 ZINC000284951149 530388392 /nfs/dbraw/zinc/38/83/92/530388392.db2.gz IWYMZLCBWSFREG-UHFFFAOYSA-N 0 3 386.294 0.752 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN(C)C)c(I)c1 ZINC000192630295 530391104 /nfs/dbraw/zinc/39/11/04/530391104.db2.gz ANAXCUUPPRBEOK-UHFFFAOYSA-N 0 3 391.209 0.916 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000497821945 530391846 /nfs/dbraw/zinc/39/18/46/530391846.db2.gz KKLJWKNCYPHCEQ-ZDUSSCGKSA-N 0 3 376.523 0.209 20 0 GCADHN COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)CCCN2CCCC2)C1 ZINC000601472999 530393125 /nfs/dbraw/zinc/39/31/25/530393125.db2.gz AJDUBQXOFUQUHU-ZIAGYGMSSA-N 0 3 376.475 0.229 20 0 GCADHN COC(=O)c1sccc1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282392008 530370995 /nfs/dbraw/zinc/37/09/95/530370995.db2.gz DBHKTGSHHKOIAO-UHFFFAOYSA-N 0 3 375.516 0.839 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2CCCN2CC(F)F)CCSC1 ZINC000636556626 530395595 /nfs/dbraw/zinc/39/55/95/530395595.db2.gz BIWKFTQLMNEPJI-WBMJQRKESA-N 0 3 378.489 0.386 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285685834 530396452 /nfs/dbraw/zinc/39/64/52/530396452.db2.gz RLFWCXHPXIFFJF-PBWFPOADSA-N 0 3 387.527 0.840 20 0 GCADHN C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000195167728 530397506 /nfs/dbraw/zinc/39/75/06/530397506.db2.gz UFTCVBLQQPYMFM-QMMMGPOBSA-N 0 3 382.305 0.691 20 0 GCADHN CN1CCN(CCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1(C)C ZINC000285958738 530398339 /nfs/dbraw/zinc/39/83/39/530398339.db2.gz NISXSTUEVOAKDW-UHFFFAOYSA-N 0 3 388.921 0.743 20 0 GCADHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000590751746 530400837 /nfs/dbraw/zinc/40/08/37/530400837.db2.gz IDOPIUIRWUBUTD-KGLIPLIRSA-N 0 3 377.507 0.094 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CC2(COC)CCC2)CC1 ZINC000651549292 530402642 /nfs/dbraw/zinc/40/26/42/530402642.db2.gz HGCDTYYQICSDHU-UHFFFAOYSA-N 0 3 375.535 0.619 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000286809931 530404250 /nfs/dbraw/zinc/40/42/50/530404250.db2.gz UJDLKRHEQOEJAO-KBPBESRZSA-N 0 3 387.527 0.842 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000286930030 530404887 /nfs/dbraw/zinc/40/48/87/530404887.db2.gz JCKWIUPCDBIFAH-WHOFXGATSA-N 0 3 389.905 0.530 20 0 GCADHN CCN(CC)CCN(CCOC)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000591398021 530408569 /nfs/dbraw/zinc/40/85/69/530408569.db2.gz FQQXYBUFFLWJRR-UHFFFAOYSA-N 0 3 393.531 0.313 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000285459903 530394401 /nfs/dbraw/zinc/39/44/01/530394401.db2.gz ZFCMBJLODMSKBE-KBPBESRZSA-N 0 3 387.527 0.842 20 0 GCADHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000497916549 530394846 /nfs/dbraw/zinc/39/48/46/530394846.db2.gz KNHKAWBLXURUHR-JTQLQIEISA-N 0 3 379.791 0.961 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CCCN2CC(F)F)CCSC1 ZINC000636556624 530395394 /nfs/dbraw/zinc/39/53/94/530395394.db2.gz BIWKFTQLMNEPJI-LRDDRELGSA-N 0 3 378.489 0.386 20 0 GCADHN CCOC(=O)C1CCC(O)(CNCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000591723591 530410252 /nfs/dbraw/zinc/41/02/52/530410252.db2.gz RLIXIDYIJJERDV-UHFFFAOYSA-N 0 3 376.500 0.970 20 0 GCADHN CNS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000287621412 530410404 /nfs/dbraw/zinc/41/04/04/530410404.db2.gz SYRGOKJXUUNBEP-UHFFFAOYSA-N 0 3 388.559 0.815 20 0 GCADHN COC(=O)c1cn(CCNC[C@H](O)COc2cccc(Br)c2)nn1 ZINC000591766424 530410628 /nfs/dbraw/zinc/41/06/28/530410628.db2.gz APPFKRQPELLFIW-LBPRGKRZSA-N 0 3 399.245 0.857 20 0 GCADHN O=C(CN1CCNCC1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000638300276 530411049 /nfs/dbraw/zinc/41/10/49/530411049.db2.gz SOKSQLPOXJKVSW-HNNXBMFYSA-N 0 3 381.274 0.354 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(I)cn1 ZINC000288024348 530413942 /nfs/dbraw/zinc/41/39/42/530413942.db2.gz CQVVMQRRGMEBCF-QMMMGPOBSA-N 0 3 376.198 0.691 20 0 GCADHN CNC(=O)c1cccc(NC(=O)C(=O)N(C)CCN(C)C)c1Br ZINC000287957101 530413353 /nfs/dbraw/zinc/41/33/53/530413353.db2.gz IKMGZJRUGUWCTC-UHFFFAOYSA-N 0 3 385.262 0.767 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000288103121 530414630 /nfs/dbraw/zinc/41/46/30/530414630.db2.gz ITEHMALPDVFMKZ-ZDUSSCGKSA-N 0 3 386.543 0.844 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CNC(=O)c2ccc(Br)o2)C1 ZINC000592312786 530415278 /nfs/dbraw/zinc/41/52/78/530415278.db2.gz JSWSJBYSYMKJTC-LLVKDONJSA-N 0 3 388.262 0.999 20 0 GCADHN C[C@@H]1CN(C[C@H](O)CN2CCCC[C@@H]2CCNS(C)(=O)=O)C[C@@H](C)O1 ZINC000592390199 530416283 /nfs/dbraw/zinc/41/62/83/530416283.db2.gz WVHXTGXDALNVLQ-VQHPVUNQSA-N 0 3 377.551 0.250 20 0 GCADHN CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000638324907 530417123 /nfs/dbraw/zinc/41/71/23/530417123.db2.gz FCBUSIVKCNFOPV-XHDPSFHLSA-N 0 3 377.413 0.126 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000288354901 530417374 /nfs/dbraw/zinc/41/73/74/530417374.db2.gz ZHKFIEQYTMMXPD-JTQLQIEISA-N 0 3 390.893 0.595 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000288368473 530417473 /nfs/dbraw/zinc/41/74/73/530417473.db2.gz YVUIEGCMRQXTGQ-GFCCVEGCSA-N 0 3 376.504 0.617 20 0 GCADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000288368473 530417474 /nfs/dbraw/zinc/41/74/74/530417474.db2.gz YVUIEGCMRQXTGQ-GFCCVEGCSA-N 0 3 376.504 0.617 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)N[C@H](CO)CN1CCCCC1 ZINC000288559540 530418867 /nfs/dbraw/zinc/41/88/67/530418867.db2.gz QASGVYFZIDKPIS-NSHDSACASA-N 0 3 388.262 0.735 20 0 GCADHN COC(=O)CC[C@@H](N)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000288526770 530419039 /nfs/dbraw/zinc/41/90/39/530419039.db2.gz DEWPEMAAAHIBDU-CMPLNLGQSA-N 0 3 389.246 0.586 20 0 GCADHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000289716390 530427154 /nfs/dbraw/zinc/42/71/54/530427154.db2.gz WZQUWZIXKBBNAZ-CYBMUJFWSA-N 0 3 377.532 0.944 20 0 GCADHN CCCCN(C)C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000290221067 530431194 /nfs/dbraw/zinc/43/11/94/530431194.db2.gz OQLZYNBBAHFBOL-CYBMUJFWSA-N 0 3 377.532 0.993 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCCCN1CCC(O)CC1 ZINC000290273772 530431379 /nfs/dbraw/zinc/43/13/79/530431379.db2.gz BPEGILNGEASXSW-UHFFFAOYSA-N 0 3 389.905 0.581 20 0 GCADHN CCO[C@H](CC[NH+](C)C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000290477315 530433665 /nfs/dbraw/zinc/43/36/65/530433665.db2.gz SEOWMQDSQHHJIE-CYBMUJFWSA-N 0 3 375.466 0.577 20 0 GCADHN CN1CCC(O)(CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000290795143 530436366 /nfs/dbraw/zinc/43/63/66/530436366.db2.gz KFWIQCWCVODUIS-UHFFFAOYSA-N 0 3 375.878 0.191 20 0 GCADHN CN1CCC[C@H](CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000594695626 530437993 /nfs/dbraw/zinc/43/79/93/530437993.db2.gz QNJPTDFUUUNYFK-CYBMUJFWSA-N 0 3 387.527 0.841 20 0 GCADHN COc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(OC)c1Br ZINC000594877583 530442555 /nfs/dbraw/zinc/44/25/55/530442555.db2.gz YWVNLINBRBAIKV-WDEREUQCSA-N 0 3 398.257 0.850 20 0 GCADHN Cn1nc2cc(Br)ccc2c1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594878291 530442774 /nfs/dbraw/zinc/44/27/74/530442774.db2.gz XXIHUOUTSULEMC-PWSUYJOCSA-N 0 3 392.257 0.720 20 0 GCADHN CN(C)c1ncc(Br)cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594880556 530442801 /nfs/dbraw/zinc/44/28/01/530442801.db2.gz SHVIOSHFJGIHNZ-ZYHUDNBSSA-N 0 3 382.262 0.294 20 0 GCADHN COC[C@H](C)OC[C@H](O)CN(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000292896454 530450583 /nfs/dbraw/zinc/45/05/83/530450583.db2.gz ZGHNYTBPYGFJHC-UONOGXRCSA-N 0 3 376.475 0.057 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000292807552 530449609 /nfs/dbraw/zinc/44/96/09/530449609.db2.gz MVWKBBRHQYUSSV-MRXNPFEDSA-N 0 3 387.527 0.701 20 0 GCADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000292807548 530449839 /nfs/dbraw/zinc/44/98/39/530449839.db2.gz MVWKBBRHQYUSSV-INIZCTEOSA-N 0 3 387.527 0.701 20 0 GCADHN COC(=O)[C@H](c1ccccc1Br)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595903296 530450228 /nfs/dbraw/zinc/45/02/28/530450228.db2.gz RZSIRBDULBUTPL-SWHYSGLUSA-N 0 3 382.258 0.907 20 0 GCADHN COCCCN(C)CCNC(=O)c1cnn(C)c1I ZINC000293407477 530453859 /nfs/dbraw/zinc/45/38/59/530453859.db2.gz SRVQNVNBLSHMKV-UHFFFAOYSA-N 0 3 380.230 0.723 20 0 GCADHN C[NH2+]C[C@@H](C)NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000595982834 530451873 /nfs/dbraw/zinc/45/18/73/530451873.db2.gz HHRFWYPCHRNBGP-YPMHNXCESA-N 0 3 377.507 0.950 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2nnc3ccc(Br)cn32)CC1=O ZINC000296242363 530469106 /nfs/dbraw/zinc/46/91/06/530469106.db2.gz ONTGIMGGXZXKIO-JTQLQIEISA-N 0 3 395.261 0.840 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)c3sccc3S(N)(=O)=O)C2)CC1 ZINC000597383196 530457639 /nfs/dbraw/zinc/45/76/39/530457639.db2.gz ZFZDNZCDDMYOCY-CYBMUJFWSA-N 0 3 386.543 0.636 20 0 GCADHN O=S1(=O)CC[C@@](O)(CNCc2cccc(I)c2)C1 ZINC000294719956 530460162 /nfs/dbraw/zinc/46/01/62/530460162.db2.gz FICFNXQRBWAMDJ-GFCCVEGCSA-N 0 3 381.235 0.930 20 0 GCADHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(S(=O)(=O)CCO)cc2)C1 ZINC000294823589 530460251 /nfs/dbraw/zinc/46/02/51/530460251.db2.gz XUXDCIJOUSJQJO-ZBFHGGJFSA-N 0 3 375.512 0.898 20 0 GCADHN CSC1(CNC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CCN(C)CC1 ZINC000599065199 530466265 /nfs/dbraw/zinc/46/62/65/530466265.db2.gz ITGDKZVTISQZLT-UHFFFAOYSA-N 0 3 390.575 0.633 20 0 GCADHN CC(C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000298687473 530482597 /nfs/dbraw/zinc/48/25/97/530482597.db2.gz CAXBBTPHLWHSAD-FZMZJTMJSA-N 0 3 387.889 0.444 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc4cncc(Br)c4n3)CCN2C1=O ZINC000602528621 530483884 /nfs/dbraw/zinc/48/38/84/530483884.db2.gz RYLHVMZMMNZRLS-ZYHUDNBSSA-N 0 3 390.241 0.776 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc(Br)c4nccn4c3)CCN2C1=O ZINC000602524483 530483971 /nfs/dbraw/zinc/48/39/71/530483971.db2.gz KHPYGNJQMRCYAN-ZYHUDNBSSA-N 0 3 378.230 0.481 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3cc(Br)c4nccn4c3)CCN2C1=O ZINC000602524480 530484056 /nfs/dbraw/zinc/48/40/56/530484056.db2.gz KHPYGNJQMRCYAN-CMPLNLGQSA-N 0 3 378.230 0.481 20 0 GCADHN CN(CCCNC(=O)N1CCN(CC2CCOCC2)CC1)S(C)(=O)=O ZINC000605968440 530484205 /nfs/dbraw/zinc/48/42/05/530484205.db2.gz UNOQCHUWGLGLGR-UHFFFAOYSA-N 0 3 376.523 0.022 20 0 GCADHN CCO[C@@H]1C[C@H](NCCS(=O)(=O)NC[C@H]2CCCCO2)[C@]12CCCO2 ZINC000638637741 530475098 /nfs/dbraw/zinc/47/50/98/530475098.db2.gz APXZPZQFJTXFQZ-YYIAUSFCSA-N 0 3 376.519 0.791 20 0 GCADHN CCN(CC)[C@H](CNC(=O)NCCNS(=O)(=O)N(C)C)c1ccsc1 ZINC000297701701 530475566 /nfs/dbraw/zinc/47/55/66/530475566.db2.gz XNZROUWKQAQRMU-CQSZACIVSA-N 0 3 391.563 0.826 20 0 GCADHN O=C(c1cncc(I)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599936674 530475738 /nfs/dbraw/zinc/47/57/38/530475738.db2.gz ASIPQWHECBKDPY-QWHCGFSZSA-N 0 3 387.221 0.967 20 0 GCADHN O=C(c1ccc(I)cn1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599941506 530475810 /nfs/dbraw/zinc/47/58/10/530475810.db2.gz WPCHJQVLMPOOSV-RYUDHWBXSA-N 0 3 387.221 0.967 20 0 GCADHN COc1ncc(Br)cc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000599935949 530475857 /nfs/dbraw/zinc/47/58/57/530475857.db2.gz UAKYRAAKFJUFAF-RYUDHWBXSA-N 0 3 398.261 0.306 20 0 GCADHN CS(=O)(=O)NC1CN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000636679209 530476473 /nfs/dbraw/zinc/47/64/73/530476473.db2.gz RWEMTTMTFMJISO-ZDUSSCGKSA-N 0 3 386.543 0.903 20 0 GCADHN COCCCN(C)CCNC(=O)c1nn(C)cc1I ZINC000602895475 530485998 /nfs/dbraw/zinc/48/59/98/530485998.db2.gz OMRPXLDXYXLAIE-UHFFFAOYSA-N 0 3 380.230 0.723 20 0 GCADHN CCN(C)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000299273200 530488873 /nfs/dbraw/zinc/48/88/73/530488873.db2.gz LJKPKORHUFZWLT-UHFFFAOYSA-N 0 3 375.516 0.379 20 0 GCADHN CN1CCC(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000299307179 530489438 /nfs/dbraw/zinc/48/94/38/530489438.db2.gz UJSJECLIFUVLPZ-UHFFFAOYSA-N 0 3 390.303 0.938 20 0 GCADHN CN(C)CCNC(=O)C1CCN(C(=O)Cn2cc(Br)cn2)CC1 ZINC000299340178 530489623 /nfs/dbraw/zinc/48/96/23/530489623.db2.gz QUSKSQAORITCMM-UHFFFAOYSA-N 0 3 386.294 0.562 20 0 GCADHN CN(C)CCOC1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000604183825 530494530 /nfs/dbraw/zinc/49/45/30/530494530.db2.gz XFUYCFIQYWSZLW-CQSZACIVSA-N 0 3 376.523 0.163 20 0 GCADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000366709490 530495333 /nfs/dbraw/zinc/49/53/33/530495333.db2.gz KEBQYHIFPZICRH-HNNXBMFYSA-N 0 3 376.523 0.209 20 0 GCADHN C[C@@H](CCCO)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000563142787 530495679 /nfs/dbraw/zinc/49/56/79/530495679.db2.gz PAMWQHIXXLUWHC-ZDUSSCGKSA-N 0 3 378.516 0.461 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1 ZINC000604407756 530495770 /nfs/dbraw/zinc/49/57/70/530495770.db2.gz AJORBJKUSWZRQE-ZDUSSCGKSA-N 0 3 375.516 0.557 20 0 GCADHN O=C(Cn1cc(Br)cn1)NCCCCN1CCN(CCO)CC1 ZINC000534662363 530495955 /nfs/dbraw/zinc/49/59/55/530495955.db2.gz REDHHPIWQMKFAS-UHFFFAOYSA-N 0 3 388.310 0.152 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccncc2)CC1 ZINC000604514650 530496413 /nfs/dbraw/zinc/49/64/13/530496413.db2.gz FUWDPYNQJRVRCY-OAHLLOKOSA-N 0 3 386.543 0.791 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000415717014 530504131 /nfs/dbraw/zinc/50/41/31/530504131.db2.gz CVFGBLBXUPTYRJ-AEJSXWLSSA-N 0 3 390.428 0.221 20 0 GCADHN CN(C(=O)C(=O)Nc1ccc(F)cc1I)C1CNC1 ZINC000415729890 530504369 /nfs/dbraw/zinc/50/43/69/530504369.db2.gz CRBUFOUFXKQQSD-UHFFFAOYSA-N 0 3 377.157 0.799 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cc(F)cc(F)c1Br ZINC000415859397 530504934 /nfs/dbraw/zinc/50/49/34/530504934.db2.gz GGZRDEILWHOMMG-MRVPVSSYSA-N 0 3 378.173 0.770 20 0 GCADHN COc1ccc(I)c(NC(=O)C(=O)N(C)CCN)c1 ZINC000415877243 530505364 /nfs/dbraw/zinc/50/53/64/530505364.db2.gz HVYQJKQRKYEBHG-UHFFFAOYSA-N 0 3 377.182 0.655 20 0 GCADHN CNS(=O)(=O)C1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000365498942 530505403 /nfs/dbraw/zinc/50/54/03/530505403.db2.gz SETCDDRRRCIURT-CQSZACIVSA-N 0 3 376.523 0.211 20 0 GCADHN CN(C)C1(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000416305581 530506270 /nfs/dbraw/zinc/50/62/70/530506270.db2.gz XQQAIVICWBRQLO-UHFFFAOYSA-N 0 3 387.527 0.656 20 0 GCADHN CC(C)[NH2+]CCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000637435153 530511207 /nfs/dbraw/zinc/51/12/07/530511207.db2.gz VILFYKCUNFGUIN-UHFFFAOYSA-N 0 3 378.445 0.930 20 0 GCADHN CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)CN(C)C)cc1 ZINC000416508514 530511397 /nfs/dbraw/zinc/51/13/97/530511397.db2.gz OQIVQVBFKSGXHW-UHFFFAOYSA-N 0 3 377.532 0.993 20 0 GCADHN CN(C)CC(C)(C)NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000416509130 530511458 /nfs/dbraw/zinc/51/14/58/530511458.db2.gz QDSNOMDZROVIIS-UHFFFAOYSA-N 0 3 375.516 0.746 20 0 GCADHN CS(=O)(=O)N1CC[C@@H](CNCc2cnn3cc(Br)cnc23)C1 ZINC000638800605 530501587 /nfs/dbraw/zinc/50/15/87/530501587.db2.gz OTKPNDJDQJRDOY-JTQLQIEISA-N 0 3 388.291 0.863 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913730 530502034 /nfs/dbraw/zinc/50/20/34/530502034.db2.gz XWALFSVYURKZAR-YUMQZZPRSA-N 0 3 380.289 0.362 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(NC(=O)NC)CC1 ZINC000416615405 530513982 /nfs/dbraw/zinc/51/39/82/530513982.db2.gz AGCDEECIEUBSIH-SNVBAGLBSA-N 0 3 389.396 0.594 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000416672918 530514875 /nfs/dbraw/zinc/51/48/75/530514875.db2.gz SFUNCFGZDMQQPL-CYBMUJFWSA-N 0 3 379.477 0.679 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000408395137 530515356 /nfs/dbraw/zinc/51/53/56/530515356.db2.gz MGYVWVRSBHEEHQ-UHFFFAOYSA-N 0 3 375.516 0.404 20 0 GCADHN COCCNCCNC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000417202076 530515772 /nfs/dbraw/zinc/51/57/72/530515772.db2.gz AWLXUGIUCSNNAG-UHFFFAOYSA-N 0 3 387.278 0.714 20 0 GCADHN CC(C)N(CCCNC(=O)CN(CCO)C1CCCCC1)S(C)(=O)=O ZINC000535279850 530516078 /nfs/dbraw/zinc/51/60/78/530516078.db2.gz GKFCEVLAGWLSSB-UHFFFAOYSA-N 0 3 377.551 0.790 20 0 GCADHN COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571061251 530517905 /nfs/dbraw/zinc/51/79/05/530517905.db2.gz RJFQELWXQUEEPO-MWLCHTKSSA-N 0 3 387.845 0.059 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(Br)cc1F ZINC000366287524 530518304 /nfs/dbraw/zinc/51/83/04/530518304.db2.gz VZZQYIJXPZXKMU-JDICNCQASA-N 0 3 393.234 0.871 20 0 GCADHN CNCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000237203336 530519444 /nfs/dbraw/zinc/51/94/44/530519444.db2.gz AKZFEXMGHKDPQW-UHFFFAOYSA-N 0 3 382.305 0.563 20 0 GCADHN CCOCC(C)(C)NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000563275354 530519457 /nfs/dbraw/zinc/51/94/57/530519457.db2.gz BIJSTVFZRYOJHP-CABCVRRESA-N 0 3 376.519 0.586 20 0 GCADHN CNCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000237203292 530519564 /nfs/dbraw/zinc/51/95/64/530519564.db2.gz UPWTVPJQRDXFCV-UHFFFAOYSA-N 0 3 376.276 0.501 20 0 GCADHN C[C@@H]1CN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)[C@@H](C)CN1 ZINC000237603067 530519791 /nfs/dbraw/zinc/51/97/91/530519791.db2.gz VZCQXMKAOFUKJE-BDAKNGLRSA-N 0 3 383.250 0.101 20 0 GCADHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000237451517 530519891 /nfs/dbraw/zinc/51/98/91/530519891.db2.gz FIQBQCBLMVIDKF-SNVBAGLBSA-N 0 3 376.276 0.629 20 0 GCADHN CCS(=O)(=O)N(C)C1CCN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000440320899 530520160 /nfs/dbraw/zinc/52/01/60/530520160.db2.gz OCSHUUOLJICLSN-UXLLHSPISA-N 0 3 377.551 0.202 20 0 GCADHN NC1(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC1 ZINC000237888312 530520216 /nfs/dbraw/zinc/52/02/16/530520216.db2.gz CXIANANKQQRRDX-UHFFFAOYSA-N 0 3 382.258 0.990 20 0 GCADHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000531597554 530521451 /nfs/dbraw/zinc/52/14/51/530521451.db2.gz IPHDWBCJNQFLTJ-MGPQQGTHSA-N 0 3 389.543 0.979 20 0 GCADHN CC(C(=O)NCc1n[nH]cc1Br)S(=O)(=O)C1CCOCC1 ZINC000531693820 530521857 /nfs/dbraw/zinc/52/18/57/530521857.db2.gz XBBYRDSSQKUBDJ-QMMMGPOBSA-N 0 3 380.264 0.771 20 0 GCADHN CC(C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)S(C)(=O)=O ZINC000330572550 530521874 /nfs/dbraw/zinc/52/18/74/530521874.db2.gz GHBCTWFEXWHEKC-JOYOIKCWSA-N 0 3 389.271 0.882 20 0 GCADHN CC(C)(C)[C@H](CO)NCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000444701778 530547197 /nfs/dbraw/zinc/54/71/97/530547197.db2.gz IDSJFUWUEOBXTK-ZNMIVQPWSA-N 0 3 376.519 0.178 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1nc(C(F)(F)F)cs1 ZINC000572587055 530547419 /nfs/dbraw/zinc/54/74/19/530547419.db2.gz PGSJZBOINWFBDY-BDAKNGLRSA-N 0 3 379.408 0.440 20 0 GCADHN Cc1c(C(=O)NC[C@@H]2CNCCO2)cc(Br)cc1S(N)(=O)=O ZINC000567847267 530548898 /nfs/dbraw/zinc/54/88/98/530548898.db2.gz GFIQNQSMWPPQNN-JTQLQIEISA-N 0 3 392.275 0.123 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Br ZINC000563450666 530526249 /nfs/dbraw/zinc/52/62/49/530526249.db2.gz WZGINJWMEZWLNF-YPMHNXCESA-N 0 3 395.257 0.466 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000563454989 530526387 /nfs/dbraw/zinc/52/63/87/530526387.db2.gz QUEIKCSLTRFHIH-YPMHNXCESA-N 0 3 385.251 0.380 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000563454987 530526390 /nfs/dbraw/zinc/52/63/90/530526390.db2.gz QUEIKCSLTRFHIH-DGCLKSJQSA-N 0 3 385.251 0.380 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1C[C@]12CC[NH2+]C2 ZINC000571162785 530528351 /nfs/dbraw/zinc/52/83/51/530528351.db2.gz LTZCVIOFIOLQOA-ABAIWWIYSA-N 0 3 375.853 0.873 20 0 GCADHN CNS(=O)(=O)NC1CCN(CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000411661310 530529278 /nfs/dbraw/zinc/52/92/78/530529278.db2.gz UUSSQKUNUVRTTM-UHFFFAOYSA-N 0 3 376.429 0.812 20 0 GCADHN COCCN(C(=O)CN[C@H](C)[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000411950004 530529607 /nfs/dbraw/zinc/52/96/07/530529607.db2.gz OPEPMSATLWNTOD-FRFSOERESA-N 0 3 376.519 0.442 20 0 GCADHN N[C@@H]1C[C@@H]2CN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CCN2C1=O ZINC000566489868 530530760 /nfs/dbraw/zinc/53/07/60/530530760.db2.gz COXXNRRRBDMZBY-MWLCHTKSSA-N 0 3 378.376 0.101 20 0 GCADHN Cc1ccc(Br)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000566496294 530531274 /nfs/dbraw/zinc/53/12/74/530531274.db2.gz QRIWXDKZKGXSJW-CMPLNLGQSA-N 0 3 388.287 0.690 20 0 GCADHN Cc1c(I)cccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566495899 530531424 /nfs/dbraw/zinc/53/14/24/530531424.db2.gz LUIDXJMPPIZICQ-GXFFZTMASA-N 0 3 399.232 0.984 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)CCN2C1=O ZINC000566495081 530531589 /nfs/dbraw/zinc/53/15/89/530531589.db2.gz CMFNLOYDZRFFHR-UFBFGSQYSA-N 0 3 381.351 0.777 20 0 GCADHN CN(C)C1(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CCC1 ZINC000445715055 530550286 /nfs/dbraw/zinc/55/02/86/530550286.db2.gz ZGKYYDQHALMLNB-UHFFFAOYSA-N 0 3 387.527 0.890 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 ZINC000443316899 530532846 /nfs/dbraw/zinc/53/28/46/530532846.db2.gz QDIXMOUTRSUOJE-UHFFFAOYSA-N 0 3 376.500 0.073 20 0 GCADHN CC(C)N(CCCNC(=O)CN1CC[C@@H](C)C[C@H]1[C@H](C)O)S(C)(=O)=O ZINC000443332737 530533139 /nfs/dbraw/zinc/53/31/39/530533139.db2.gz YHCKWKCDZIVVFD-PMPSAXMXSA-N 0 3 377.551 0.644 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000443687956 530537217 /nfs/dbraw/zinc/53/72/17/530537217.db2.gz YPJRQWVYSMGHJU-CQSZACIVSA-N 0 3 392.200 0.849 20 0 GCADHN CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000443667237 530537546 /nfs/dbraw/zinc/53/75/46/530537546.db2.gz OTUPEJLWXJUCMN-JJXSEGSLSA-N 0 3 377.551 0.956 20 0 GCADHN CN1CCC(O)(CNC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000267084515 530539555 /nfs/dbraw/zinc/53/95/55/530539555.db2.gz KWFKYPBIQIIFDY-UHFFFAOYSA-N 0 3 384.274 0.752 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCc3cccc(Br)c3)CCN2C1=O ZINC000567293053 530540900 /nfs/dbraw/zinc/54/09/00/530540900.db2.gz IQHAJCUEHXRJEH-KGLIPLIRSA-N 0 3 381.274 0.945 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)C1(C)C ZINC000444130810 530542293 /nfs/dbraw/zinc/54/22/93/530542293.db2.gz MUBWLFFIYNWYGQ-RHSMWYFYSA-N 0 3 375.535 0.791 20 0 GCADHN CCN(CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(C)C ZINC000444177026 530542854 /nfs/dbraw/zinc/54/28/54/530542854.db2.gz SEEMGUOZVXENJA-UHFFFAOYSA-N 0 3 377.532 0.946 20 0 GCADHN COC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC[NH2+]CC1 ZINC000567502881 530544053 /nfs/dbraw/zinc/54/40/53/530544053.db2.gz MLIQCIDQZLOCET-UHFFFAOYSA-N 0 3 393.868 0.642 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(CCCN2CCN(C(C)C)CC2)CC1 ZINC000331314575 530545167 /nfs/dbraw/zinc/54/51/67/530545167.db2.gz IQXMDIJRVTZXFG-UHFFFAOYSA-N 0 3 375.583 0.263 20 0 GCADHN C[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271908461 530545737 /nfs/dbraw/zinc/54/57/37/530545737.db2.gz ZTFFGKWVFJJWAG-LBPRGKRZSA-N 0 3 383.495 0.875 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000331326462 530545706 /nfs/dbraw/zinc/54/57/06/530545706.db2.gz MVGRXARSDAXDKT-IVZWLZJFSA-N 0 3 395.421 0.708 20 0 GCADHN C[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000271908458 530545969 /nfs/dbraw/zinc/54/59/69/530545969.db2.gz ZTFFGKWVFJJWAG-GFCCVEGCSA-N 0 3 383.495 0.875 20 0 GCADHN O=C(NC1CNC1)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000568061208 530553120 /nfs/dbraw/zinc/55/31/20/530553120.db2.gz NVNFBSZZEMVAPC-UHFFFAOYSA-N 0 3 382.258 0.907 20 0 GCADHN O=C(NCCCN1CCC(O)CC1)C(=O)Nc1ccc(Br)cn1 ZINC000446534547 530553500 /nfs/dbraw/zinc/55/35/00/530553500.db2.gz APEKIFCUYOVRHV-UHFFFAOYSA-N 0 3 385.262 0.746 20 0 GCADHN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](CO)CN(C)C ZINC000673520638 530556374 /nfs/dbraw/zinc/55/63/74/530556374.db2.gz LJKRGIIQLUQPNG-IUCAKERBSA-N 0 3 378.292 0.668 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(Br)s3)CCN2C1=O ZINC000568268097 530557920 /nfs/dbraw/zinc/55/79/20/530557920.db2.gz RHZRCRCPEIMAFT-YUMQZZPRSA-N 0 3 380.289 0.443 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(OC)c1 ZINC000447244853 530559476 /nfs/dbraw/zinc/55/94/76/530559476.db2.gz BMSPPWSIBPMADM-RYUDHWBXSA-N 0 3 391.515 0.815 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@@H](OC)C2CCOCC2)C1 ZINC000639101682 530561373 /nfs/dbraw/zinc/56/13/73/530561373.db2.gz FOMVAYHBZQYLRN-IAGOWNOFSA-N 0 3 378.535 0.800 20 0 GCADHN CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000265259939 530561483 /nfs/dbraw/zinc/56/14/83/530561483.db2.gz QNXCZZNBMQSVSV-CYBMUJFWSA-N 0 3 375.516 0.652 20 0 GCADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@H](OC)C2CCOCC2)C1 ZINC000639101684 530561549 /nfs/dbraw/zinc/56/15/49/530561549.db2.gz FOMVAYHBZQYLRN-SJORKVTESA-N 0 3 378.535 0.800 20 0 GCADHN C[C@H](CCCCO)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000569103419 530566252 /nfs/dbraw/zinc/56/62/52/530566252.db2.gz HBPIBIMMRYFITQ-CQSZACIVSA-N 0 3 392.543 0.851 20 0 GCADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1Br ZINC000569120939 530566866 /nfs/dbraw/zinc/56/68/66/530566866.db2.gz WIGCKMVDJWQREH-TZMCWYRMSA-N 0 3 381.274 0.940 20 0 GCADHN O=S(=O)(NC[C@@H]1CCCN(C[C@H](O)COC[C@H]2CCCO2)C1)C1CC1 ZINC000518828506 530567147 /nfs/dbraw/zinc/56/71/47/530567147.db2.gz LQGBRUJUBQMNSW-HRCADAONSA-N 0 3 376.519 0.337 20 0 GCADHN CC(C(=O)N1CCC(C)CC1)S(=O)(=O)Cc1nnnn1CC(F)(F)F ZINC000190808314 530567247 /nfs/dbraw/zinc/56/72/47/530567247.db2.gz XAAQTLUYNVXZCD-JTQLQIEISA-N 0 3 383.396 0.797 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)C[C@H]1N(C)C ZINC000450267413 530568312 /nfs/dbraw/zinc/56/83/12/530568312.db2.gz WWIGIBHFEHSSMP-ZYHUDNBSSA-N 0 3 382.511 0.416 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)c2cccnc2-n2cc(Br)cn2)C1 ZINC000450884848 530570545 /nfs/dbraw/zinc/57/05/45/530570545.db2.gz UDRDCYLDUODSGM-OAHLLOKOSA-N 0 3 380.246 0.826 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000450988558 530570985 /nfs/dbraw/zinc/57/09/85/530570985.db2.gz AWKYDLSTHPASNO-DTWKUNHWSA-N 0 3 381.394 0.319 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCc1cc(Cl)ccc1Br ZINC000573802696 530583729 /nfs/dbraw/zinc/58/37/29/530583729.db2.gz TXEJEZXRRSJHPN-UHFFFAOYSA-N 0 3 378.654 0.498 20 0 GCADHN CCN(CC)CCN(C(=O)C[C@H]1CSCCN1)[C@@H]1CCS(=O)(=O)C1 ZINC000573121953 530575599 /nfs/dbraw/zinc/57/55/99/530575599.db2.gz SJEBWGNRNHVJGW-LSDHHAIUSA-N 0 3 377.576 0.439 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000451280213 530576409 /nfs/dbraw/zinc/57/64/09/530576409.db2.gz GIQMADAHMPERRR-GXFFZTMASA-N 0 3 386.392 0.802 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCOc2cccc(Cl)c2Cl)[C@@H](CN)C1 ZINC000573226228 530577095 /nfs/dbraw/zinc/57/70/95/530577095.db2.gz HBWJBSFVXMZAKA-NSHDSACASA-N 0 3 389.283 0.590 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)cc1C ZINC000573250412 530577676 /nfs/dbraw/zinc/57/76/76/530577676.db2.gz LLMALIJXVPPPJS-ZDUSSCGKSA-N 0 3 377.532 0.910 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](OCCOC)C1 ZINC000451430934 530580006 /nfs/dbraw/zinc/58/00/06/530580006.db2.gz JLSMUGJJJDJWJA-MNOVXSKESA-N 0 3 377.381 0.938 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1C[C@H](C)O ZINC000451415069 530580172 /nfs/dbraw/zinc/58/01/72/530580172.db2.gz UMYKYGLFDMDSGL-HBNTYKKESA-N 0 3 377.381 0.672 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000451450685 530580667 /nfs/dbraw/zinc/58/06/67/530580667.db2.gz ZDRIPHQVSLGTAM-BTQIBKBOSA-N 0 3 386.392 0.786 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000451447311 530581044 /nfs/dbraw/zinc/58/10/44/530581044.db2.gz SDLLNPWAHIGTMP-RYUDHWBXSA-N 0 3 390.424 0.589 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CC1(O)CCOCC1 ZINC000451434497 530581121 /nfs/dbraw/zinc/58/11/21/530581121.db2.gz OTHDSSLTJVAKGU-SNVBAGLBSA-N 0 3 377.381 0.674 20 0 GCADHN O=S(=O)([N-]CCNC[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000629579138 530581451 /nfs/dbraw/zinc/58/14/51/530581451.db2.gz ZGCVRDAKRVODGM-ZDUSSCGKSA-N 0 3 379.885 0.804 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(CO)(OC)CC1 ZINC000451454932 530581466 /nfs/dbraw/zinc/58/14/66/530581466.db2.gz JCJZNBPKCVXBRV-JTQLQIEISA-N 0 3 377.381 0.674 20 0 GCADHN COc1ccc(Br)c(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000582192923 530582515 /nfs/dbraw/zinc/58/25/15/530582515.db2.gz XYUSADCHHPPLNK-SMDDNHRTSA-N 0 3 382.258 0.771 20 0 GCADHN COc1ccc(Br)c(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000582192922 530582541 /nfs/dbraw/zinc/58/25/41/530582541.db2.gz XYUSADCHHPPLNK-RISCZKNCSA-N 0 3 382.258 0.771 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC(n2nc(C)nc2C)C1 ZINC000451508862 530582634 /nfs/dbraw/zinc/58/26/34/530582634.db2.gz YNGYGLLZVLMIJA-NSHDSACASA-N 0 3 384.380 0.966 20 0 GCADHN CN1CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)[C@H](CN)C1 ZINC000567987075 530551168 /nfs/dbraw/zinc/55/11/68/530551168.db2.gz PBNBMJNPORKWPO-MRVPVSSYSA-N 0 3 384.246 0.991 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)Cc3cccc(Br)c3)CCN2C1=O ZINC000577005879 530614851 /nfs/dbraw/zinc/61/48/51/530614851.db2.gz IDLCBDNJYDQJGG-QWHCGFSZSA-N 0 3 388.287 0.523 20 0 GCADHN CC[C@H](C)N1CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000451842674 530591067 /nfs/dbraw/zinc/59/10/67/530591067.db2.gz MYUWHYMNDWFAEN-INIZCTEOSA-N 0 3 376.567 0.579 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(Br)c3)CCN2C1=O ZINC000574466324 530591178 /nfs/dbraw/zinc/59/11/78/530591178.db2.gz DYJXSRPOBXAQIX-VXGBXAGGSA-N 0 3 381.230 0.158 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)NCCNc3ncc(Cl)cc3Cl)CCN2C1=O ZINC000574466478 530591568 /nfs/dbraw/zinc/59/15/68/530591568.db2.gz HHHPSEJFKAKGBL-JQWIXIFHSA-N 0 3 387.271 0.754 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCNc3ncc(Cl)cc3Cl)CCN2C1=O ZINC000574466480 530591924 /nfs/dbraw/zinc/59/19/24/530591924.db2.gz HHHPSEJFKAKGBL-ZYHUDNBSSA-N 0 3 387.271 0.754 20 0 GCADHN COCCNCCNC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000417906159 530592634 /nfs/dbraw/zinc/59/26/34/530592634.db2.gz BEQILNBAAHRITM-UHFFFAOYSA-N 0 3 378.520 0.178 20 0 GCADHN CN(Cc1ccc(Br)s1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000519382583 530593315 /nfs/dbraw/zinc/59/33/15/530593315.db2.gz KWAHROLTZIQDGT-SNVBAGLBSA-N 0 3 389.319 0.570 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2ccc(Br)s2)[C@@H](CN)C1 ZINC000519363518 530593418 /nfs/dbraw/zinc/59/34/18/530593418.db2.gz ZBAZJQHRFCYWIZ-VIFPVBQESA-N 0 3 375.292 0.228 20 0 GCADHN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000575094627 530596603 /nfs/dbraw/zinc/59/66/03/530596603.db2.gz HTZASUKPQHRMSK-HOTGVXAUSA-N 0 3 375.535 0.544 20 0 GCADHN O=C1CN(CCNC[C@H](O)COc2cc(F)cc(Br)c2)CCN1 ZINC000575117879 530597332 /nfs/dbraw/zinc/59/73/32/530597332.db2.gz NMXFVDXYVQCLGF-ZDUSSCGKSA-N 0 3 390.253 0.349 20 0 GCADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)CN1CCCC1 ZINC000452087078 530598862 /nfs/dbraw/zinc/59/88/62/530598862.db2.gz LVVZBQJKDHNLNX-UHFFFAOYSA-N 0 3 375.516 0.747 20 0 GCADHN O=C(CCn1cc(Br)ccc1=O)NC[C@H]1CCCCN1CCO ZINC000452387766 530603483 /nfs/dbraw/zinc/60/34/83/530603483.db2.gz HZTHXKYPMUOOQE-CQSZACIVSA-N 0 3 386.290 0.964 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CCN2C1=O ZINC000580580670 530615568 /nfs/dbraw/zinc/61/55/68/530615568.db2.gz FPGMLZFJFRNWKU-GXSJLCMTSA-N 0 3 387.845 0.044 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CC(C)(C)C(=O)OC)CC1 ZINC000576021793 530604719 /nfs/dbraw/zinc/60/47/19/530604719.db2.gz GXNQAFAPKGGLPZ-UHFFFAOYSA-N 0 3 377.507 0.001 20 0 GCADHN [NH3+]C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000669541273 530604735 /nfs/dbraw/zinc/60/47/35/530604735.db2.gz DGAKCNAGNCVFSP-SECBINFHSA-N 0 3 382.895 0.049 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NCC1CC[NH2+]CC1 ZINC000669541301 530604754 /nfs/dbraw/zinc/60/47/54/530604754.db2.gz JXJIZJAAWFURAT-UHFFFAOYSA-N 0 3 380.923 0.979 20 0 GCADHN CNS(=O)(=O)CCNC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000576101742 530604887 /nfs/dbraw/zinc/60/48/87/530604887.db2.gz ACSPFGAAJPKLRM-NSHDSACASA-N 0 3 385.255 0.467 20 0 GCADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000576098014 530605132 /nfs/dbraw/zinc/60/51/32/530605132.db2.gz HYSZQIRCDRBXPH-CABCVRRESA-N 0 3 375.539 0.383 20 0 GCADHN CNS(=O)(=O)CCNC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000576101741 530605335 /nfs/dbraw/zinc/60/53/35/530605335.db2.gz ACSPFGAAJPKLRM-LLVKDONJSA-N 0 3 385.255 0.467 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000576135106 530605991 /nfs/dbraw/zinc/60/59/91/530605991.db2.gz HCFXEBDJJAVJDO-ZIAGYGMSSA-N 0 3 397.273 0.620 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000453297268 530607046 /nfs/dbraw/zinc/60/70/46/530607046.db2.gz ZHSJVQLWIWDLRP-OCCSQVGLSA-N 0 3 377.532 0.915 20 0 GCADHN COc1cc(F)c(Br)cc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000576361315 530607618 /nfs/dbraw/zinc/60/76/18/530607618.db2.gz PWOUEKICWZDNPH-SECBINFHSA-N 0 3 396.282 0.860 20 0 GCADHN O=C(NCc1ccc(I)c(Cl)c1)C(=O)NC1CNC1 ZINC000576330410 530607810 /nfs/dbraw/zinc/60/78/10/530607810.db2.gz PTCKNGYDQFDBOZ-UHFFFAOYSA-N 0 3 393.612 0.649 20 0 GCADHN Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)sc1Br ZINC000576480222 530608907 /nfs/dbraw/zinc/60/89/07/530608907.db2.gz LEBRFCBNERSOFP-BDAKNGLRSA-N 0 3 394.316 0.752 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3ccc(I)cc3)CCN2C1=O ZINC000576836706 530613228 /nfs/dbraw/zinc/61/32/28/530613228.db2.gz AABNOZCXXGLDKO-VXGBXAGGSA-N 0 3 385.205 0.675 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](CS(C)(=O)=O)C1 ZINC000451573556 530584843 /nfs/dbraw/zinc/58/48/43/530584843.db2.gz JRUMPGXSTXWVOI-UWVGGRQHSA-N 0 3 395.421 0.567 20 0 GCADHN CC(C)[C@@H](CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1)N1CCCCCC1 ZINC000535797998 530585553 /nfs/dbraw/zinc/58/55/53/530585553.db2.gz NCRFOCLAQNJIGB-HZPDHXFCSA-N 0 3 375.535 1.000 20 0 GCADHN CCC1(CNCCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)COC1 ZINC000574150891 530587944 /nfs/dbraw/zinc/58/79/44/530587944.db2.gz HPPFWPXAOGDKDU-UHFFFAOYSA-N 0 3 390.527 0.727 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1C(F)(F)F ZINC000574173673 530588311 /nfs/dbraw/zinc/58/83/11/530588311.db2.gz PKWKQYSRMKNTKQ-GWCFXTLKSA-N 0 3 377.388 0.946 20 0 GCADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CCN2C1=O ZINC000577747030 530624442 /nfs/dbraw/zinc/62/44/42/530624442.db2.gz OUTZFAIYUVQGDU-CABZTGNLSA-N 0 3 379.360 0.518 20 0 GCADHN CCC(CC)[C@@H](CNC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)N1CCCC1 ZINC000457611160 530624739 /nfs/dbraw/zinc/62/47/39/530624739.db2.gz KPSZPRMRJQPVMY-WBVHZDCISA-N 0 3 375.535 0.736 20 0 GCADHN CCCN1CCC(NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330080543 530625376 /nfs/dbraw/zinc/62/53/76/530625376.db2.gz JLCHNJJLDUYSJR-UHFFFAOYSA-N 0 3 381.564 0.452 20 0 GCADHN CC(C(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000330063925 530625723 /nfs/dbraw/zinc/62/57/23/530625723.db2.gz QMJYIPJYGCJGCJ-DYVFJYSZSA-N 0 3 375.487 0.765 20 0 GCADHN Cc1c(Br)cc(C(=O)NC[C@]2(O)CN3CCC2CC3)c(=O)n1C ZINC000577885507 530625780 /nfs/dbraw/zinc/62/57/80/530625780.db2.gz LKWXHIKSSCTVFJ-INIZCTEOSA-N 0 3 384.274 0.643 20 0 GCADHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCCCO2)ccn1 ZINC000348344519 530627045 /nfs/dbraw/zinc/62/70/45/530627045.db2.gz SBJAOJDCEZRIAN-UHFFFAOYSA-N 0 3 392.503 0.637 20 0 GCADHN CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)cc[nH+]1 ZINC000348344519 530627048 /nfs/dbraw/zinc/62/70/48/530627048.db2.gz SBJAOJDCEZRIAN-UHFFFAOYSA-N 0 3 392.503 0.637 20 0 GCADHN CC(C(=O)N1CCN(Cc2cscn2)CC1)S(=O)(=O)C1CCOCC1 ZINC000330151106 530627874 /nfs/dbraw/zinc/62/78/74/530627874.db2.gz NKXAFHJGRKSDPP-ZDUSSCGKSA-N 0 3 387.527 0.770 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2nnc(SC)s2)CC1 ZINC000526109032 530630385 /nfs/dbraw/zinc/63/03/85/530630385.db2.gz HCUJEJAFHWFIRQ-UHFFFAOYSA-N 0 3 386.547 0.956 20 0 GCADHN C[C@H]1CN(C(=O)NCCCN2CCCO[C@@H](C)C2)CCN1S(C)(=O)=O ZINC000331413878 530632086 /nfs/dbraw/zinc/63/20/86/530632086.db2.gz GNDRCYYUYNSIJB-GJZGRUSLSA-N 0 3 376.523 0.163 20 0 GCADHN C[C@H]1CN(C(=O)NCCCN2CCCO[C@H](C)C2)CCN1S(C)(=O)=O ZINC000331413887 530632188 /nfs/dbraw/zinc/63/21/88/530632188.db2.gz GNDRCYYUYNSIJB-LSDHHAIUSA-N 0 3 376.523 0.163 20 0 GCADHN CN(C)CCOCCNC(=O)NCc1nn(C)cc1I ZINC000458691139 530632469 /nfs/dbraw/zinc/63/24/69/530632469.db2.gz KCLSAZWSSAMOHT-UHFFFAOYSA-N 0 3 395.245 0.402 20 0 GCADHN CN1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@@H](CN)C1 ZINC000577951444 530634061 /nfs/dbraw/zinc/63/40/61/530634061.db2.gz SYUCEHJFSDGTRE-LBPRGKRZSA-N 0 3 394.273 0.260 20 0 GCADHN COCCN(CCN(C)C)C(=O)NCCn1cc(Br)ccc1=O ZINC000458909458 530634379 /nfs/dbraw/zinc/63/43/79/530634379.db2.gz BVYZHRZWGWREON-UHFFFAOYSA-N 0 3 389.294 0.830 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@@]12CCOC2 ZINC000331589154 530634664 /nfs/dbraw/zinc/63/46/64/530634664.db2.gz IRSPLCHUPJHXKU-PWSUYJOCSA-N 0 3 375.365 0.692 20 0 GCADHN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000331620444 530634866 /nfs/dbraw/zinc/63/48/66/530634866.db2.gz RCARNFCQORRZGM-SOUVJXGZSA-N 0 3 391.559 0.770 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(CCCO)CC1 ZINC000577984141 530634891 /nfs/dbraw/zinc/63/48/91/530634891.db2.gz BFPWSRPOMZQEBP-NSHDSACASA-N 0 3 376.397 0.200 20 0 GCADHN CCO[C@@H]1C[C@H]([NH2+]CC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)[C@H]1SC ZINC000459488199 530637443 /nfs/dbraw/zinc/63/74/43/530637443.db2.gz YZXLFGCSFUCDJP-HBNTYKKESA-N 0 3 381.545 0.934 20 0 GCADHN NS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 ZINC000329623786 530616928 /nfs/dbraw/zinc/61/69/28/530616928.db2.gz NXDWIQPSRGYGSX-AWEZNQCLSA-N 0 3 387.527 0.831 20 0 GCADHN CN(C)CCNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000121197528 530619320 /nfs/dbraw/zinc/61/93/20/530619320.db2.gz NKJWTPUVAHQBGY-UHFFFAOYSA-N 0 3 378.292 0.795 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)NCCOc3ncc(Cl)cc3Cl)CCN2C1=O ZINC000577389844 530619742 /nfs/dbraw/zinc/61/97/42/530619742.db2.gz WUKYVTYCFIPYGB-CMPLNLGQSA-N 0 3 388.255 0.721 20 0 GCADHN CC(C)[C@H](C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)N(C)C ZINC000456904633 530621198 /nfs/dbraw/zinc/62/11/98/530621198.db2.gz NEQMPEUPSYTVTG-OAHLLOKOSA-N 0 3 375.466 0.897 20 0 GCADHN CC(C(=O)N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1)S(=O)(=O)C1CCOCC1 ZINC000329866636 530622046 /nfs/dbraw/zinc/62/20/46/530622046.db2.gz VBTZGQJDTZHEEB-OEUWWYETSA-N 0 3 375.487 0.764 20 0 GCADHN CC(C(=O)N(C)CCN1CCOC(C)(C)C1)S(=O)(=O)C1CCOCC1 ZINC000329889768 530622061 /nfs/dbraw/zinc/62/20/61/530622061.db2.gz FBIBOAPRFXVROV-AWEZNQCLSA-N 0 3 376.519 0.538 20 0 GCADHN CCN1C[C@H](C)N(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@@H]1C ZINC000498930462 530644983 /nfs/dbraw/zinc/64/49/83/530644983.db2.gz UTMBUUAGLWOGKD-HOTGVXAUSA-N 0 3 376.567 0.577 20 0 GCADHN Cn1ncc(I)c1C(=O)NC1(CCO)CCN(C)CC1 ZINC000498198137 530648808 /nfs/dbraw/zinc/64/88/08/530648808.db2.gz JAWCPDQYHWAXRK-UHFFFAOYSA-N 0 3 392.241 0.601 20 0 GCADHN CSC1(CNC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CCN(C)CC1 ZINC000462507959 530651891 /nfs/dbraw/zinc/65/18/91/530651891.db2.gz HICYKZWFONWRSO-AWEZNQCLSA-N 0 3 392.591 0.927 20 0 GCADHN CSC1(CNC(=O)NCC2(OCCO)CCOCC2)CCN(C)CC1 ZINC000462511839 530652009 /nfs/dbraw/zinc/65/20/09/530652009.db2.gz HOBPFIZVJYVQGY-UHFFFAOYSA-N 0 3 375.535 0.671 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000332689949 530652511 /nfs/dbraw/zinc/65/25/11/530652511.db2.gz QAKFVBCEUVZLFB-HBNTYKKESA-N 0 3 386.392 0.943 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000332739264 530653506 /nfs/dbraw/zinc/65/35/06/530653506.db2.gz YAXFXZCUCHIUJI-SDDRHHMPSA-N 0 3 388.408 0.605 20 0 GCADHN COc1cc(CNC2CC(NS(C)(=O)=O)C2)cc(Cl)c1OCC(N)=O ZINC000669832025 530655861 /nfs/dbraw/zinc/65/58/61/530655861.db2.gz QZTKBODZRREJSI-UHFFFAOYSA-N 0 3 391.877 0.383 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000333270424 530657136 /nfs/dbraw/zinc/65/71/36/530657136.db2.gz CJDQMUUJWFYRLF-KGLIPLIRSA-N 0 3 379.473 0.990 20 0 GCADHN C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnc(N(C)C)c2)C1 ZINC000349503799 530662319 /nfs/dbraw/zinc/66/23/19/530662319.db2.gz LIPHTZFMCJNELH-CYBMUJFWSA-N 0 3 390.531 0.951 20 0 GCADHN C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc[nH+]c(N(C)C)c2)C1 ZINC000349503799 530662321 /nfs/dbraw/zinc/66/23/21/530662321.db2.gz LIPHTZFMCJNELH-CYBMUJFWSA-N 0 3 390.531 0.951 20 0 GCADHN Cc1nc(C)c(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000333922850 530663522 /nfs/dbraw/zinc/66/35/22/530663522.db2.gz RVGDSGAENOZJHT-UHFFFAOYSA-N 0 3 388.559 0.835 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000369668692 530664250 /nfs/dbraw/zinc/66/42/50/530664250.db2.gz ZIVKAFZXDGDWQH-UKRRQHHQSA-N 0 3 375.535 0.662 20 0 GCADHN CN(CCC[NH+](C)C)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000617767437 530664510 /nfs/dbraw/zinc/66/45/10/530664510.db2.gz VILMROUHHJKBFL-UHFFFAOYSA-N 0 3 396.966 0.680 20 0 GCADHN CCN(CCCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)S(C)(=O)=O ZINC000465720548 530666858 /nfs/dbraw/zinc/66/68/58/530666858.db2.gz JNCAMYZFHUILKZ-HNNXBMFYSA-N 0 3 378.539 0.410 20 0 GCADHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)C2CC2)ccn1 ZINC000349516563 530669259 /nfs/dbraw/zinc/66/92/59/530669259.db2.gz JNCOTDGKUPFSOJ-UHFFFAOYSA-N 0 3 376.504 0.703 20 0 GCADHN CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC2)cc[nH+]1 ZINC000349516563 530669260 /nfs/dbraw/zinc/66/92/60/530669260.db2.gz JNCOTDGKUPFSOJ-UHFFFAOYSA-N 0 3 376.504 0.703 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000532740364 530672253 /nfs/dbraw/zinc/67/22/53/530672253.db2.gz NYXAITARLGOXJH-CQSZACIVSA-N 0 3 390.575 0.681 20 0 GCADHN CSc1ccc(Cn2cc(CNS(=O)(=O)N3CCNCC3)nn2)cc1 ZINC000640844517 530675291 /nfs/dbraw/zinc/67/52/91/530675291.db2.gz IGGIDIYMIKZUQJ-UHFFFAOYSA-N 0 3 382.515 0.288 20 0 GCADHN CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCCCN1CCN(CC)CC1 ZINC000467551945 530675340 /nfs/dbraw/zinc/67/53/40/530675340.db2.gz COLOVYHRRWGMKC-CVEARBPZSA-N 0 3 376.567 0.484 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000192921303 530677366 /nfs/dbraw/zinc/67/73/66/530677366.db2.gz GSUUBLUCHWQCAS-LBPRGKRZSA-N 0 3 398.305 0.925 20 0 GCADHN COCCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CC[C@H](C)C1 ZINC000639611026 530679218 /nfs/dbraw/zinc/67/92/18/530679218.db2.gz ONFULWZHHSOWFO-HOCLYGCPSA-N 0 3 375.535 0.664 20 0 GCADHN C[C@@H](O)C[C@@H]1CCCCCN1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000639640467 530680044 /nfs/dbraw/zinc/68/00/44/530680044.db2.gz DPWJMURVCSJDCY-ZBFHGGJFSA-N 0 3 375.535 0.542 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000469151355 530686284 /nfs/dbraw/zinc/68/62/84/530686284.db2.gz XWDYGDDGOKVTPM-ZDUSSCGKSA-N 0 3 388.559 0.977 20 0 GCADHN CCCCN(C(=O)CN1CC[C@H](OC)C[C@@H]1CN)[C@@H]1CCS(=O)(=O)C1 ZINC000563958151 530687087 /nfs/dbraw/zinc/68/70/87/530687087.db2.gz NJGGOBXCQDZBQQ-OAGGEKHMSA-N 0 3 375.535 0.240 20 0 GCADHN CC[N@@H+]1CCCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000469195756 530687227 /nfs/dbraw/zinc/68/72/27/530687227.db2.gz GWBHRNBEEXGRGI-NSHDSACASA-N 0 3 376.504 0.426 20 0 GCADHN CC[N@H+]1CCCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000469195756 530687230 /nfs/dbraw/zinc/68/72/30/530687230.db2.gz GWBHRNBEEXGRGI-NSHDSACASA-N 0 3 376.504 0.426 20 0 GCADHN O=S(=O)(NCc1cn(Cc2ccc(F)c(Cl)c2)nn1)N1CCNCC1 ZINC000640944747 530688107 /nfs/dbraw/zinc/68/81/07/530688107.db2.gz QAXALKVESTYCQT-UHFFFAOYSA-N 0 3 388.856 0.359 20 0 GCADHN O=S(=O)(NCc1cn(Cc2ccc(Cl)cc2F)nn1)N1CCNCC1 ZINC000640948188 530688591 /nfs/dbraw/zinc/68/85/91/530688591.db2.gz QROXOQMIHUZLFR-UHFFFAOYSA-N 0 3 388.856 0.359 20 0 GCADHN COC(=O)[C@H](CC(C)C)NC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1 ZINC000469444567 530689499 /nfs/dbraw/zinc/68/94/99/530689499.db2.gz NLFKJOXERYXTMP-AWEZNQCLSA-N 0 3 377.507 0.046 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)CC[NH+](C)C)s1 ZINC000469495471 530689541 /nfs/dbraw/zinc/68/95/41/530689541.db2.gz HDKIBSXWEJMNAC-NSHDSACASA-N 0 3 390.531 0.119 20 0 GCADHN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368219305 530721675 /nfs/dbraw/zinc/72/16/75/530721675.db2.gz ZUMWJBDWTRXMBQ-KCQAQPDRSA-N 0 3 389.518 0.903 20 0 GCADHN CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000470103703 530692847 /nfs/dbraw/zinc/69/28/47/530692847.db2.gz FIGWTQQBKDVFCF-OAHLLOKOSA-N 0 3 375.535 0.665 20 0 GCADHN CC(C)NS(=O)(=O)CCCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349559978 530693534 /nfs/dbraw/zinc/69/35/34/530693534.db2.gz AQCKKOXXAGPTDR-UHFFFAOYSA-N 0 3 390.531 0.776 20 0 GCADHN CCN(CCO)CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000470592728 530695524 /nfs/dbraw/zinc/69/55/24/530695524.db2.gz LZIKGFFJQXPTLM-UHFFFAOYSA-N 0 3 398.257 0.476 20 0 GCADHN CC[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349568937 530697950 /nfs/dbraw/zinc/69/79/50/530697950.db2.gz AMNQWVWHERZDDO-ZDUSSCGKSA-N 0 3 390.531 0.776 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccs1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000361272765 530702733 /nfs/dbraw/zinc/70/27/33/530702733.db2.gz RQLUBPZSLZEQSS-CHWSQXEVSA-N 0 3 388.515 0.189 20 0 GCADHN O=C(NCCNS(=O)(=O)c1cccs1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000361272914 530702794 /nfs/dbraw/zinc/70/27/94/530702794.db2.gz RQLUBPZSLZEQSS-QWHCGFSZSA-N 0 3 388.515 0.189 20 0 GCADHN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCNCC2)c1 ZINC000361732234 530703425 /nfs/dbraw/zinc/70/34/25/530703425.db2.gz GNSHGDDMYJCPKL-UHFFFAOYSA-N 0 3 375.878 0.700 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1cnc2c(c1)CNCC2 ZINC000367384674 530703616 /nfs/dbraw/zinc/70/36/16/530703616.db2.gz PXHFHAHNACVQTA-UHFFFAOYSA-N 0 3 380.202 0.391 20 0 GCADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000472882337 530708670 /nfs/dbraw/zinc/70/86/70/530708670.db2.gz RQLDHYOJYAMRDR-OAHLLOKOSA-N 0 3 391.877 0.111 20 0 GCADHN CCS[C@@H]1CCC[C@H]1NCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000503460682 530709123 /nfs/dbraw/zinc/70/91/23/530709123.db2.gz KHSKMGHEYBGKPV-RRFJBIMHSA-N 0 3 378.560 0.912 20 0 GCADHN Cc1cc(Br)c(F)cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000473251051 530711010 /nfs/dbraw/zinc/71/10/10/530711010.db2.gz UBWSJDLMNASBQB-SECBINFHSA-N 0 3 376.226 0.874 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC000473271536 530711146 /nfs/dbraw/zinc/71/11/46/530711146.db2.gz KCSYKBIXZQMPIU-MRXNPFEDSA-N 0 3 391.921 0.827 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cncc(Br)c1 ZINC000473486844 530711661 /nfs/dbraw/zinc/71/16/61/530711661.db2.gz FTITXUOXGBDZMI-LBPRGKRZSA-N 0 3 398.305 0.925 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000367797147 530716542 /nfs/dbraw/zinc/71/65/42/530716542.db2.gz JDPZCMUVTRFKOE-ZWNOBZJWSA-N 0 3 377.463 0.570 20 0 GCADHN CCN(CC)S(=O)(=O)CC(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000369879532 530736259 /nfs/dbraw/zinc/73/62/59/530736259.db2.gz APFXUBCOQRSYPT-UHFFFAOYSA-N 0 3 375.535 0.809 20 0 GCADHN CCO[C@@H]1C[C@](O)(CNC(=O)C(C)S(=O)(=O)C2CCOCC2)C1(C)C ZINC000476850706 530736750 /nfs/dbraw/zinc/73/67/50/530736750.db2.gz KBANPYQTQRLRSN-MRRJBJDNSA-N 0 3 377.503 0.651 20 0 GCADHN CCN(CCCNS(=O)(=O)c1ccc(CN(C)C)cc1)S(C)(=O)=O ZINC000477518469 530744721 /nfs/dbraw/zinc/74/47/21/530744721.db2.gz DFUFUADRTPNMOS-UHFFFAOYSA-N 0 3 377.532 0.698 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1F ZINC000370100815 530738210 /nfs/dbraw/zinc/73/82/10/530738210.db2.gz HYBYWCQQRNEUMQ-YGRLFVJLSA-N 0 3 377.463 0.570 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000370387614 530742013 /nfs/dbraw/zinc/74/20/13/530742013.db2.gz XSLUYFZEJFDGKS-UHFFFAOYSA-N 0 3 395.591 0.844 20 0 GCADHN CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000477508914 530744910 /nfs/dbraw/zinc/74/49/10/530744910.db2.gz QKSLFGWQWJVIOI-UHFFFAOYSA-N 0 3 377.532 0.698 20 0 GCADHN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000578073465 530725837 /nfs/dbraw/zinc/72/58/37/530725837.db2.gz MPACISVGIQHZJG-LLVKDONJSA-N 0 3 390.893 0.570 20 0 GCADHN CC(C)NS(=O)(=O)CCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000475892826 530728561 /nfs/dbraw/zinc/72/85/61/530728561.db2.gz QQUDQVHPMIJVBU-UHFFFAOYSA-N 0 3 378.539 0.503 20 0 GCADHN O=S(=O)([N-][C@@H]1CCC[NH2+]CC1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000369064082 530728603 /nfs/dbraw/zinc/72/86/03/530728603.db2.gz LKONPUULAOZCAN-CQSZACIVSA-N 0 3 387.527 0.892 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](CNC[C@H](O)COc2cc(F)cc(Br)c2)O1 ZINC000578316332 530729881 /nfs/dbraw/zinc/72/98/81/530729881.db2.gz WVKWSBZWPDPZDO-SCRDCRAPSA-N 0 3 391.237 0.950 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000369180448 530730423 /nfs/dbraw/zinc/73/04/23/530730423.db2.gz XSMBZOAKILBKAU-INIZCTEOSA-N 0 3 389.543 0.367 20 0 GCADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000369308390 530731363 /nfs/dbraw/zinc/73/13/63/530731363.db2.gz SYWZXSNYURPFJW-HNNXBMFYSA-N 0 3 376.523 0.211 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCOc2ccc(Br)cc2)[C@H](CN)C1 ZINC000578426818 530731436 /nfs/dbraw/zinc/73/14/36/530731436.db2.gz PWDNLXBASYSZBY-CYBMUJFWSA-N 0 3 399.289 0.045 20 0 GCADHN CCCN(C(=O)[C@H](C)N[C@H](C)[C@H](C)C(=O)OCC)[C@H]1CCS(=O)(=O)C1 ZINC000578454865 530732001 /nfs/dbraw/zinc/73/20/01/530732001.db2.gz BFGMTVVXALGJCV-XGUBFFRZSA-N 0 3 376.519 0.978 20 0 GCADHN CCCN(C(=O)[C@H](C)N[C@H](C)[C@@H](C)C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000578454862 530732122 /nfs/dbraw/zinc/73/21/22/530732122.db2.gz BFGMTVVXALGJCV-APIJFGDWSA-N 0 3 376.519 0.978 20 0 GCADHN C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000476453823 530733112 /nfs/dbraw/zinc/73/31/12/530733112.db2.gz AAJDUDFFRZZYHG-ZIAGYGMSSA-N 0 3 389.543 0.624 20 0 GCADHN C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC2CC[NH+](CCO)CC2)s1 ZINC000476432325 530733150 /nfs/dbraw/zinc/73/31/50/530733150.db2.gz KPAQAEPCVXIWBQ-UHFFFAOYSA-N 0 3 390.531 0.160 20 0 GCADHN CS[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1N(C)C ZINC000476452573 530733169 /nfs/dbraw/zinc/73/31/69/530733169.db2.gz PJUCSKAKJBHSBB-CVEARBPZSA-N 0 3 385.555 0.983 20 0 GCADHN CS[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1N(C)C ZINC000476452576 530733318 /nfs/dbraw/zinc/73/33/18/530733318.db2.gz PJUCSKAKJBHSBB-JKSUJKDBSA-N 0 3 385.555 0.983 20 0 GCADHN CC(C)OCCN1CCC(NC(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000476434376 530733364 /nfs/dbraw/zinc/73/33/64/530733364.db2.gz JWENJZVFULTAES-UHFFFAOYSA-N 0 3 376.523 0.163 20 0 GCADHN CCN(CCCNC(=O)CC1(N2CCOCC2)CCCC1)S(C)(=O)=O ZINC000369679699 530735035 /nfs/dbraw/zinc/73/50/35/530735035.db2.gz WTVAXWQOAKKDAZ-UHFFFAOYSA-N 0 3 375.535 0.809 20 0 GCADHN C[NH2+][C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418160292 530749543 /nfs/dbraw/zinc/74/95/43/530749543.db2.gz DAMFVCGLOAQWOE-LLVKDONJSA-N 0 3 378.857 0.761 20 0 GCADHN COc1cc(OC)c(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Cl ZINC000579973107 530749563 /nfs/dbraw/zinc/74/95/63/530749563.db2.gz WBBGRYPVBJAJNE-MWLCHTKSSA-N 0 3 389.861 0.290 20 0 GCADHN [NH3+]C1(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCC1 ZINC000418150601 530749990 /nfs/dbraw/zinc/74/99/90/530749990.db2.gz CZPLDSCTAXBHIX-UHFFFAOYSA-N 0 3 378.857 0.938 20 0 GCADHN [NH3+][C@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000418168150 530750961 /nfs/dbraw/zinc/75/09/61/530750961.db2.gz KZOGGJUWCWRLLB-GFCCVEGCSA-N 0 3 378.857 0.794 20 0 GCADHN [NH3+]C[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418173080 530751149 /nfs/dbraw/zinc/75/11/49/530751149.db2.gz PVLDMWYSWNKECA-SNVBAGLBSA-N 0 3 378.857 0.748 20 0 GCADHN [NH3+]C1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000418177128 530751734 /nfs/dbraw/zinc/75/17/34/530751734.db2.gz VCIMOIHUSHJMMP-UHFFFAOYSA-N 0 3 378.857 0.890 20 0 GCADHN [NH3+]C[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000418173079 530751755 /nfs/dbraw/zinc/75/17/55/530751755.db2.gz PVLDMWYSWNKECA-JTQLQIEISA-N 0 3 378.857 0.748 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NCC[C@H]1CC[NH2+]C1 ZINC000418181170 530752044 /nfs/dbraw/zinc/75/20/44/530752044.db2.gz ZIQYOCXVDVZDRZ-LLVKDONJSA-N 0 3 376.429 0.542 20 0 GCADHN Cn1cc(CN2CCC(n3cc(Br)cn3)CC2)c(=O)n(C)c1=O ZINC000371337192 530752163 /nfs/dbraw/zinc/75/21/63/530752163.db2.gz SWCPGZDUNOGOSC-UHFFFAOYSA-N 0 3 382.262 0.880 20 0 GCADHN CC(=O)N1CCN(C(=O)C(C)S(=O)(=O)Cc2ncc(Cl)s2)CC1 ZINC000478713702 530752150 /nfs/dbraw/zinc/75/21/50/530752150.db2.gz VEMHCINXOKHIQN-SECBINFHSA-N 0 3 379.891 0.791 20 0 GCADHN Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NC[C@H]1CNCCO1 ZINC000418184520 530752432 /nfs/dbraw/zinc/75/24/32/530752432.db2.gz NQVGNSIBFDVRSQ-CYBMUJFWSA-N 0 3 390.893 0.214 20 0 GCADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000371407437 530753116 /nfs/dbraw/zinc/75/31/16/530753116.db2.gz CKUPTOGZEGELRW-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)CCN1C ZINC000581016813 530753327 /nfs/dbraw/zinc/75/33/27/530753327.db2.gz HHBOZNXYZNYLTJ-NWDGAFQWSA-N 0 3 390.531 0.479 20 0 GCADHN [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000479793088 530759268 /nfs/dbraw/zinc/75/92/68/530759268.db2.gz PHLROFUERUVWSB-KYZUINATSA-N 0 3 387.405 0.295 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000069126456 530759473 /nfs/dbraw/zinc/75/94/73/530759473.db2.gz OYIBNEDMSSNGBO-CYBMUJFWSA-N 0 3 386.543 0.966 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc2c(c1)OCO2 ZINC000479659356 530759504 /nfs/dbraw/zinc/75/95/04/530759504.db2.gz IZBZOTTTYSXFHK-ZYHUDNBSSA-N 0 3 389.451 0.022 20 0 GCADHN O=C(NCc1cc(Br)ccc1OC(F)F)C(=O)NC1CNC1 ZINC000581598247 530760945 /nfs/dbraw/zinc/76/09/45/530760945.db2.gz RAYGQJICVNZCGB-UHFFFAOYSA-N 0 3 378.173 0.755 20 0 GCADHN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)C1 ZINC000581860255 530763680 /nfs/dbraw/zinc/76/36/80/530763680.db2.gz OFGRKECBWZSXHE-AWEZNQCLSA-N 0 3 381.564 0.404 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC(C)(C)CCS(C)(=O)=O ZINC000477598610 530745746 /nfs/dbraw/zinc/74/57/46/530745746.db2.gz MZZXAUYNRPAHPU-UHFFFAOYSA-N 0 3 394.563 0.553 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)C(F)(F)F ZINC000370692571 530746130 /nfs/dbraw/zinc/74/61/30/530746130.db2.gz YQVSMNHSPLKGRL-NWDGAFQWSA-N 0 3 384.424 0.464 20 0 GCADHN C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000418157154 530748978 /nfs/dbraw/zinc/74/89/78/530748978.db2.gz BAGUKVCIYADILP-MFKMUULPSA-N 0 3 376.429 0.622 20 0 GCADHN C[NH2+]C[C@@H](C)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000418159302 530749046 /nfs/dbraw/zinc/74/90/46/530749046.db2.gz QWBMBADAHYAMHK-SNVBAGLBSA-N 0 3 380.873 0.912 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NC[C@H]1CCC[NH2+]C1 ZINC000418157311 530749069 /nfs/dbraw/zinc/74/90/69/530749069.db2.gz BILMOIFUNHDXFL-NSHDSACASA-N 0 3 376.429 0.542 20 0 GCADHN C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000418157155 530749300 /nfs/dbraw/zinc/74/93/00/530749300.db2.gz BAGUKVCIYADILP-ZWNOBZJWSA-N 0 3 376.429 0.622 20 0 GCADHN [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000418156034 530749320 /nfs/dbraw/zinc/74/93/20/530749320.db2.gz AGTZCAOJIQWCJH-ZYHUDNBSSA-N 0 3 376.429 0.670 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)NC[C@@H]1CCC[NH2+]C1 ZINC000418157302 530749350 /nfs/dbraw/zinc/74/93/50/530749350.db2.gz BILMOIFUNHDXFL-LLVKDONJSA-N 0 3 376.429 0.542 20 0 GCADHN COC(=O)CCCS(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371216776 530749482 /nfs/dbraw/zinc/74/94/82/530749482.db2.gz UZYXHWIAFNXJRH-UHFFFAOYSA-N 0 3 375.535 0.760 20 0 GCADHN CN1CCN(C(=O)C(=O)NCCc2ccc(Br)s2)[C@@H](CN)C1 ZINC000642506498 530771420 /nfs/dbraw/zinc/77/14/20/530771420.db2.gz NPBUMQOJTXRPOV-JTQLQIEISA-N 0 3 389.319 0.271 20 0 GCADHN NS(=O)(=O)N1CCC(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000029370438 530774325 /nfs/dbraw/zinc/77/43/25/530774325.db2.gz DXDQJODUNCGCDS-UHFFFAOYSA-N 0 3 390.575 0.380 20 0 GCADHN O=C(CNC(=O)c1ccc(Br)o1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000064348232 530787500 /nfs/dbraw/zinc/78/75/00/530787500.db2.gz LXCIQRLEVVKBNS-WDEREUQCSA-N 0 3 386.246 0.751 20 0 GCADHN CC(C(=O)NCCCNC(=O)c1cccs1)S(=O)(=O)C1CCOCC1 ZINC000481221731 530777287 /nfs/dbraw/zinc/77/72/87/530777287.db2.gz NYRGJDXYGHPHSA-LBPRGKRZSA-N 0 3 388.511 0.967 20 0 GCADHN CC(C(=O)N1CCCCCC1)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000481472661 530778539 /nfs/dbraw/zinc/77/85/39/530778539.db2.gz MVLHEYHPASLMMG-GFCCVEGCSA-N 0 3 388.515 0.940 20 0 GCADHN CC(C(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000045359021 530779928 /nfs/dbraw/zinc/77/99/28/530779928.db2.gz SOMPDJMFYBNCBB-ZWNOBZJWSA-N 0 3 379.887 0.947 20 0 GCADHN CN(C)[C@]1(CNC(=O)NCCS(=O)(=O)NCC2CCC2)CCSC1 ZINC000481654875 530780237 /nfs/dbraw/zinc/78/02/37/530780237.db2.gz BXMMSTSHJZDXQD-HNNXBMFYSA-N 0 3 378.564 0.442 20 0 GCADHN C[C@@]1(O)CCCN(CCS(=O)(=O)CCN2CCC[C@](C)(O)CC2)CC1 ZINC000373429599 530780553 /nfs/dbraw/zinc/78/05/53/530780553.db2.gz CVFZJHMPJJSXQM-HDICACEKSA-N 0 3 376.563 0.875 20 0 GCADHN CCN(C(=O)C(C)S(=O)(=O)C1CCOCC1)[C@H](C)CS(=O)(=O)CC ZINC000481892038 530781870 /nfs/dbraw/zinc/78/18/70/530781870.db2.gz LXOGXFPSTHGCEN-OLZOCXBDSA-N 0 3 383.532 0.640 20 0 GCADHN CCN1CCN(CCC(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000481974201 530782112 /nfs/dbraw/zinc/78/21/12/530782112.db2.gz NIJWYAZXJIMSAU-MRXNPFEDSA-N 0 3 375.535 0.066 20 0 GCADHN CC(C)OCCN1CCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CC1 ZINC000482503793 530785264 /nfs/dbraw/zinc/78/52/64/530785264.db2.gz HNAUPSMDIJMCLN-HNNXBMFYSA-N 0 3 376.519 0.538 20 0 GCADHN O=C(CN1CCS(=O)(=O)CC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000064521562 530787157 /nfs/dbraw/zinc/78/71/57/530787157.db2.gz LDNBXOLRMQANCD-OAHLLOKOSA-N 0 3 385.555 0.807 20 0 GCADHN CN1CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)[C@@H](CN)C1 ZINC000581946698 530767213 /nfs/dbraw/zinc/76/72/13/530767213.db2.gz ZLYOSFMBWCZZQG-LBPRGKRZSA-N 0 3 390.303 0.647 20 0 GCADHN NC(=O)C[C@H](NCc1cc(Cl)cc(S(N)(=O)=O)c1)C1CCOCC1 ZINC000581946187 530767307 /nfs/dbraw/zinc/76/73/07/530767307.db2.gz CJBSPVKEMYQHOM-AWEZNQCLSA-N 0 3 375.878 0.748 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCN(C)CC(F)(F)F ZINC000480633903 530767775 /nfs/dbraw/zinc/76/77/75/530767775.db2.gz GQKRYHCPPQWMIR-UHFFFAOYSA-N 0 3 385.456 0.834 20 0 GCADHN CN1CCCN(CCCNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000641649733 530768176 /nfs/dbraw/zinc/76/81/76/530768176.db2.gz FEBGFMNYUIAXQO-UHFFFAOYSA-N 0 3 383.440 0.751 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1C ZINC000480669303 530768525 /nfs/dbraw/zinc/76/85/25/530768525.db2.gz MXANBMFHXHQGPW-CQSZACIVSA-N 0 3 389.543 0.865 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(Br)n1 ZINC000375296642 530800814 /nfs/dbraw/zinc/80/08/14/530800814.db2.gz RDJQZVJIFDPGEB-GHMZBOCLSA-N 0 3 383.246 0.762 20 0 GCADHN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000641913374 530803070 /nfs/dbraw/zinc/80/30/70/530803070.db2.gz DBJYQWVICCKCDM-UHFFFAOYSA-N 0 3 381.479 0.996 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000375595981 530803978 /nfs/dbraw/zinc/80/39/78/530803978.db2.gz IZAOUSCDIUTWAG-UHFFFAOYSA-N 0 3 391.490 0.961 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@@H](CO)CN1CCCC1 ZINC000646224646 530788995 /nfs/dbraw/zinc/78/89/95/530788995.db2.gz ZYKPTGABSAJABX-CQSZACIVSA-N 0 3 389.905 0.581 20 0 GCADHN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H](CO)CN1CCCC1 ZINC000646224645 530789363 /nfs/dbraw/zinc/78/93/63/530789363.db2.gz ZYKPTGABSAJABX-AWEZNQCLSA-N 0 3 389.905 0.581 20 0 GCADHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000065971093 530789454 /nfs/dbraw/zinc/78/94/54/530789454.db2.gz IJBFSJJBEJMIFP-UHFFFAOYSA-N 0 3 375.516 0.829 20 0 GCADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000627295920 530807400 /nfs/dbraw/zinc/80/74/00/530807400.db2.gz QZWNINGMIFZVPD-GFCCVEGCSA-N 0 3 383.290 0.951 20 0 GCADHN CC1CCC(NS(=O)(=O)CC(=O)N(CCN(C)C)CCN(C)C)CC1 ZINC000068423597 530793808 /nfs/dbraw/zinc/79/38/08/530793808.db2.gz PLIRVRXYADTFJF-UHFFFAOYSA-N 0 3 376.567 0.436 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000490150915 530826955 /nfs/dbraw/zinc/82/69/55/530826955.db2.gz FPVLWUWYQSZHCZ-SOUVJXGZSA-N 0 3 375.539 0.191 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000490150916 530827267 /nfs/dbraw/zinc/82/72/67/530827267.db2.gz FPVLWUWYQSZHCZ-ZNMIVQPWSA-N 0 3 375.539 0.191 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CCCO1 ZINC000490365088 530827954 /nfs/dbraw/zinc/82/79/54/530827954.db2.gz IJOXJQRGHZHRKP-CABCVRRESA-N 0 3 376.523 0.163 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000490439229 530828230 /nfs/dbraw/zinc/82/82/30/530828230.db2.gz MKEIEXZEFPPPNI-NSHDSACASA-N 0 3 379.433 0.014 20 0 GCADHN COCCOCCOCCS(=O)(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490439835 530828499 /nfs/dbraw/zinc/82/84/99/530828499.db2.gz MXZRXZCFEXFGDK-MRXNPFEDSA-N 0 3 378.535 0.802 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000490507283 530828798 /nfs/dbraw/zinc/82/87/98/530828798.db2.gz IYWUOOSTZMOZBU-INIZCTEOSA-N 0 3 387.527 0.701 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377769231 530829442 /nfs/dbraw/zinc/82/94/42/530829442.db2.gz BGGYBWQKYPOGIK-UONOGXRCSA-N 0 3 387.889 0.598 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377769230 530829462 /nfs/dbraw/zinc/82/94/62/530829462.db2.gz BGGYBWQKYPOGIK-KGLIPLIRSA-N 0 3 387.889 0.598 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000491061803 530831280 /nfs/dbraw/zinc/83/12/80/530831280.db2.gz SHIGBLYTEOIOGS-CQSZACIVSA-N 0 3 388.511 0.625 20 0 GCADHN CC(C)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCN1 ZINC000621152338 530832932 /nfs/dbraw/zinc/83/29/32/530832932.db2.gz VESRGZHBVOOTBN-HNNXBMFYSA-N 0 3 386.543 0.822 20 0 GCADHN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000378011004 530833112 /nfs/dbraw/zinc/83/31/12/530833112.db2.gz WZZRESFOFIUTMK-MNOVXSKESA-N 0 3 377.463 0.427 20 0 GCADHN O=C(N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)[C@]1(F)CCNC1 ZINC000378206804 530835538 /nfs/dbraw/zinc/83/55/38/530835538.db2.gz GBQCLQQTCGUKMQ-HNNXBMFYSA-N 0 3 377.388 0.499 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(Br)nc1 ZINC000378182529 530835661 /nfs/dbraw/zinc/83/56/61/530835661.db2.gz FWAFVIBOFWQKBG-VXGBXAGGSA-N 0 3 383.246 0.762 20 0 GCADHN COc1cccc(CNC(=O)C(C)S(=O)(=O)CCCS(C)(=O)=O)c1 ZINC000492126474 530836011 /nfs/dbraw/zinc/83/60/11/530836011.db2.gz IZGDWFUGNODBLI-GFCCVEGCSA-N 0 3 377.484 0.549 20 0 GCADHN C[C@H](NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000375844371 530807644 /nfs/dbraw/zinc/80/76/44/530807644.db2.gz CRBWNWIJDHEYJV-LBPRGKRZSA-N 0 3 387.527 0.941 20 0 GCADHN CC(C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000055752706 530812713 /nfs/dbraw/zinc/81/27/13/530812713.db2.gz GOXBFNIPLUOACC-LBPRGKRZSA-N 0 3 388.873 0.823 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000488908984 530819801 /nfs/dbraw/zinc/81/98/01/530819801.db2.gz MMLPCWIKLAYONE-UHFFFAOYSA-N 0 3 376.523 0.066 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000642020412 530820540 /nfs/dbraw/zinc/82/05/40/530820540.db2.gz MKFZINAIURYOMH-KGLIPLIRSA-N 0 3 397.273 0.620 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C)s1 ZINC000490036648 530825785 /nfs/dbraw/zinc/82/57/85/530825785.db2.gz RJJWBKIVAKBTBA-GFCCVEGCSA-N 0 3 397.588 0.706 20 0 GCADHN COCCN(C)CCNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000494953585 530847912 /nfs/dbraw/zinc/84/79/12/530847912.db2.gz QEDHYLNRPLBFPY-UHFFFAOYSA-N 0 3 378.539 0.457 20 0 GCADHN COC(=O)c1cc(S(=O)(=O)NCCCCN2CCN(C)CC2)cs1 ZINC000610260861 530851665 /nfs/dbraw/zinc/85/16/65/530851665.db2.gz VSQCBBGGZNRJBO-UHFFFAOYSA-N 0 3 375.516 0.841 20 0 GCADHN C[C@@H](CCO)CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000582905312 530856337 /nfs/dbraw/zinc/85/63/37/530856337.db2.gz LECQEQBCJPVPDM-CQSZACIVSA-N 0 3 392.543 0.709 20 0 GCADHN CCS(=O)(=O)N1CCC[C@H](C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000499893420 530857345 /nfs/dbraw/zinc/85/73/45/530857345.db2.gz CJOWVRZYUFVZLH-JKSUJKDBSA-N 0 3 375.535 0.617 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC1CCN(CCOC)CC1 ZINC000500167535 530859659 /nfs/dbraw/zinc/85/96/59/530859659.db2.gz BLIVVEAEBDFYAD-CQSZACIVSA-N 0 3 381.564 0.274 20 0 GCADHN CC(=O)N1CCc2sc(S(=O)(=O)[N-]CCOCC[NH+](C)C)cc2C1 ZINC000656955295 530862864 /nfs/dbraw/zinc/86/28/64/530862864.db2.gz IWTICTFAUDRZHQ-UHFFFAOYSA-N 0 3 375.516 0.509 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N(C)[C@@H](C)C[S@](C)=O)CC1 ZINC000187839866 530864526 /nfs/dbraw/zinc/86/45/26/530864526.db2.gz FBNCSZAMJVUTTO-RULNZOCKSA-N 0 3 376.548 0.878 20 0 GCADHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000530386129 530866199 /nfs/dbraw/zinc/86/61/99/530866199.db2.gz KFTOFHFUNKWKHX-UHFFFAOYSA-N 0 3 375.516 0.831 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000583252242 530867459 /nfs/dbraw/zinc/86/74/59/530867459.db2.gz FVQWCWASTOSXMS-ZDUSSCGKSA-N 0 3 398.305 0.980 20 0 GCADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000657035262 530869114 /nfs/dbraw/zinc/86/91/14/530869114.db2.gz VJRYYMFWXIFELO-ZDUSSCGKSA-N 0 3 389.543 0.993 20 0 GCADHN CC(C)(C)N1CC[C@@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000657061627 530871057 /nfs/dbraw/zinc/87/10/57/530871057.db2.gz NSCICKUGXRCDLM-CQSZACIVSA-N 0 3 389.543 0.757 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@@H](C)[NH+](C)C)s1 ZINC000657090154 530872795 /nfs/dbraw/zinc/87/27/95/530872795.db2.gz GDLFWWBXEMCRMD-GFCCVEGCSA-N 0 3 397.588 0.848 20 0 GCADHN CO[C@@H](CS(=O)(=O)NCCCCN1CCC[C@@H]1CO)C1CCOCC1 ZINC000645558317 530841764 /nfs/dbraw/zinc/84/17/64/530841764.db2.gz QOSHDDUEJQSRNJ-SJORKVTESA-N 0 3 378.535 0.584 20 0 GCADHN CO[C@H](CS(=O)(=O)NCCCCN1CCC[C@H]1CO)C1CCOCC1 ZINC000645558314 530842171 /nfs/dbraw/zinc/84/21/71/530842171.db2.gz QOSHDDUEJQSRNJ-DLBZAZTESA-N 0 3 378.535 0.584 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2F)C1 ZINC000657790470 530902661 /nfs/dbraw/zinc/90/26/61/530902661.db2.gz RBUFVVFYSXUDDZ-CQSZACIVSA-N 0 3 392.200 0.849 20 0 GCADHN Nc1nc(N)nc(N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)n1 ZINC000623874948 530910404 /nfs/dbraw/zinc/91/04/04/530910404.db2.gz UJZPFSNGNIESDL-UHFFFAOYSA-N 0 3 393.249 0.709 20 0 GCADHN CC(C(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(F)cccc1F ZINC000502872864 530877655 /nfs/dbraw/zinc/87/76/55/530877655.db2.gz RMLDSARYYABQNI-ZJUUUORDSA-N 0 3 381.422 0.571 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000503024859 530878245 /nfs/dbraw/zinc/87/82/45/530878245.db2.gz YGVJNNFLOKGVSF-HUUCEWRRSA-N 0 3 394.607 0.190 20 0 GCADHN COCCCN1CCC(NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)CC1 ZINC000503656770 530882560 /nfs/dbraw/zinc/88/25/60/530882560.db2.gz AOIGRXRBMOOKHZ-INIZCTEOSA-N 0 3 375.535 0.664 20 0 GCADHN COCCCN1CCC(NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CC1 ZINC000503656771 530882786 /nfs/dbraw/zinc/88/27/86/530882786.db2.gz AOIGRXRBMOOKHZ-MRXNPFEDSA-N 0 3 375.535 0.664 20 0 GCADHN CN(C)CCNC(=O)c1cccc(CNc2ncc(S(N)(=O)=O)s2)c1 ZINC000066816375 530886183 /nfs/dbraw/zinc/88/61/83/530886183.db2.gz FPWLQYMRODRNOX-UHFFFAOYSA-N 0 3 383.499 0.694 20 0 GCADHN COCCN(C(C)=O)c1nc(CSc2nnnn2CCN(C)C)cs1 ZINC000504585439 530890531 /nfs/dbraw/zinc/89/05/31/530890531.db2.gz MVSBVYUHVUQXMT-UHFFFAOYSA-N 0 3 385.519 0.983 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CCS(=O)(=O)CC(C)C)CC1 ZINC000505386850 530893650 /nfs/dbraw/zinc/89/36/50/530893650.db2.gz CQKNJWZYCVZEKT-UHFFFAOYSA-N 0 3 375.535 0.460 20 0 GCADHN CN1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCCC2)c2cnccc21 ZINC000349577798 530895167 /nfs/dbraw/zinc/89/51/67/530895167.db2.gz VKZTZBFJJGFELM-UHFFFAOYSA-N 0 3 388.515 0.483 20 0 GCADHN COCCNCCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br ZINC000418511823 530930584 /nfs/dbraw/zinc/93/05/84/530930584.db2.gz RWSIVTFFLUFZJW-CQSZACIVSA-N 0 3 399.289 0.868 20 0 GCADHN O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)NC[C@@H]1CNCCO1 ZINC000418762974 530934798 /nfs/dbraw/zinc/93/47/98/530934798.db2.gz JEMCFVRIYYGYSB-ZFWWWQNUSA-N 0 3 386.290 0.888 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@H](NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000511156529 530933971 /nfs/dbraw/zinc/93/39/71/530933971.db2.gz IANYOEYHHQIPHF-SOUVJXGZSA-N 0 3 382.548 0.420 20 0 GCADHN CN(Cc1ccccc1Br)C(=O)CCNc1nc(N)nc(N)n1 ZINC000623960750 530915069 /nfs/dbraw/zinc/91/50/69/530915069.db2.gz GNNUDGISSUCUHB-UHFFFAOYSA-N 0 3 380.250 0.342 20 0 GCADHN CN(Cc1ccccc1Br)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000584463838 530915478 /nfs/dbraw/zinc/91/54/78/530915478.db2.gz IGEAIIWNCGAMAP-ZDUSSCGKSA-N 0 3 383.290 0.509 20 0 GCADHN C[C@H](Oc1ccccc1Br)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584481016 530915979 /nfs/dbraw/zinc/91/59/79/530915979.db2.gz WWKOMFAFSPNGGQ-LOWVWBTDSA-N 0 3 382.258 0.987 20 0 GCADHN Cn1c2cc(Br)c(S(=O)(=O)[N-][C@@H]3CC[NH2+]C3)cc2n(C)c1=O ZINC000123159127 530918197 /nfs/dbraw/zinc/91/81/97/530918197.db2.gz BEZDEGBPTSFUJD-MRVPVSSYSA-N 0 3 389.275 0.280 20 0 GCADHN COC(=O)c1nscc1S(=O)(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000610679329 530919139 /nfs/dbraw/zinc/91/91/39/530919139.db2.gz OFLCYOSCGPFXJU-GFCCVEGCSA-N 0 3 388.515 0.330 20 0 GCADHN Cc1cc(N2CCC[C@H](Nc3nc(N)nc(N)n3)C2=O)ccc1Br ZINC000624105083 530919894 /nfs/dbraw/zinc/91/98/94/530919894.db2.gz BCGDDEBIBZXEGY-NSHDSACASA-N 0 3 392.261 0.797 20 0 GCADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc4c(Cl)ccnc43)CCN2C1=O ZINC000584732515 530923141 /nfs/dbraw/zinc/92/31/41/530923141.db2.gz ORTXWHKZWIRNEX-GXFFZTMASA-N 0 3 380.857 0.821 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)COc3ccc(Br)cc3F)CCN2C1=O ZINC000584851126 530925215 /nfs/dbraw/zinc/92/52/15/530925215.db2.gz SYJQGQPSALTNDH-JQWIXIFHSA-N 0 3 386.221 0.737 20 0 GCADHN C[C@]1(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CCCCN1 ZINC000510435205 530927495 /nfs/dbraw/zinc/92/74/95/530927495.db2.gz SBYXOSCYIGCQPR-MRXNPFEDSA-N 0 3 387.527 0.917 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000610925046 530928246 /nfs/dbraw/zinc/92/82/46/530928246.db2.gz IKOLKBJZGYCXSV-HUUCEWRRSA-N 0 3 393.575 0.417 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000632112955 530959635 /nfs/dbraw/zinc/95/96/35/530959635.db2.gz NPACGJDBSFSSNR-KGLIPLIRSA-N 0 3 379.473 0.990 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N(CCN)CCO)Oc1ccc(Br)cc1 ZINC000419628052 530959984 /nfs/dbraw/zinc/95/99/84/530959984.db2.gz YTXHNKOXFFJATD-NSHDSACASA-N 0 3 388.262 0.112 20 0 GCADHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000419567632 530959990 /nfs/dbraw/zinc/95/99/90/530959990.db2.gz IVZLCFWGKGPVLO-ZDUSSCGKSA-N 0 3 389.905 0.720 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000419583080 530960233 /nfs/dbraw/zinc/96/02/33/530960233.db2.gz GPJYUCZCSWOPKB-HZMBPMFUSA-N 0 3 382.258 0.657 20 0 GCADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419642101 530960240 /nfs/dbraw/zinc/96/02/40/530960240.db2.gz IDWHZSFAJBJLCO-DGCLKSJQSA-N 0 3 383.290 0.950 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCc1ccc(I)s1 ZINC000419581988 530960513 /nfs/dbraw/zinc/96/05/13/530960513.db2.gz MGGMTENFPSGSPF-QMMMGPOBSA-N 0 3 395.266 0.817 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NCCc1ccc(I)s1 ZINC000419584670 530960564 /nfs/dbraw/zinc/96/05/64/530960564.db2.gz PEVRIOIREIRMOV-ZETCQYMHSA-N 0 3 381.239 0.475 20 0 GCADHN CSCC[C@@H](N)C(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000262144547 530961494 /nfs/dbraw/zinc/96/14/94/530961494.db2.gz AQKAJTUTZWJYNQ-CYBMUJFWSA-N 0 3 390.531 0.595 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000419727241 530961553 /nfs/dbraw/zinc/96/15/53/530961553.db2.gz KZHOIIXSUCKYCQ-NSHDSACASA-N 0 3 376.240 0.895 20 0 GCADHN CC[C@@H](NC(=O)C(=O)N(CCN)CCO)c1cc(F)cc(Br)c1 ZINC000419771212 530962459 /nfs/dbraw/zinc/96/24/59/530962459.db2.gz FHKMWWDTZVNFQE-CYBMUJFWSA-N 0 3 390.253 0.935 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000632197262 530962612 /nfs/dbraw/zinc/96/26/12/530962612.db2.gz ONSMURIHSURCIS-OAHLLOKOSA-N 0 3 381.564 0.594 20 0 GCADHN NCCNC(=O)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000419819199 530963134 /nfs/dbraw/zinc/96/31/34/530963134.db2.gz PQEVFTZAPTUJSV-UHFFFAOYSA-N 0 3 397.273 0.701 20 0 GCADHN CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)C(=O)NCCN ZINC000419843322 530963245 /nfs/dbraw/zinc/96/32/45/530963245.db2.gz XQODKEFPACPASX-UHFFFAOYSA-N 0 3 391.291 0.050 20 0 GCADHN CN(C)CCCS(=O)(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000632216273 530963309 /nfs/dbraw/zinc/96/33/09/530963309.db2.gz DSKXUDCMILNQJA-UHFFFAOYSA-N 0 3 375.516 0.598 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000418765235 530935145 /nfs/dbraw/zinc/93/51/45/530935145.db2.gz LMFRWXHCCMSTOI-MFKMUULPSA-N 0 3 376.226 0.909 20 0 GCADHN Cn1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1=O ZINC000124541378 530936960 /nfs/dbraw/zinc/93/69/60/530936960.db2.gz QBLIJCBHGLUBCC-GFCCVEGCSA-N 0 3 397.273 0.783 20 0 GCADHN CCC(CC)[C@@H](CNC(=O)NC[C@H]1CS(=O)(=O)CCO1)N1CCCC1 ZINC000511431270 530937404 /nfs/dbraw/zinc/93/74/04/530937404.db2.gz QZNGDYNYKYEUKJ-JKSUJKDBSA-N 0 3 375.535 1.000 20 0 GCADHN Cn1ncc(NCCCCN2CCN(CCO)CC2)c(Br)c1=O ZINC000511676471 530938481 /nfs/dbraw/zinc/93/84/81/530938481.db2.gz VPWMVCAFLPAFKY-UHFFFAOYSA-N 0 3 388.310 0.345 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)NCC2(SC)CCN(C)CC2)[C@H](C)C1 ZINC000564015240 530938904 /nfs/dbraw/zinc/93/89/04/530938904.db2.gz XPDCZYKUMWFZOX-CQSZACIVSA-N 0 3 392.591 0.879 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)CCNC(=O)C(=O)N[C@@H](C)CN ZINC000420031938 530964792 /nfs/dbraw/zinc/96/47/92/530964792.db2.gz SKJYPXWTTJJVRR-JTQLQIEISA-N 0 3 385.262 0.666 20 0 GCADHN CN(C)CC[C@@](C)(O)CNC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000420048941 530964848 /nfs/dbraw/zinc/96/48/48/530964848.db2.gz TWIWLNYFXFEPPB-OAHLLOKOSA-N 0 3 390.278 0.933 20 0 GCADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCC[C@H]2CN(C)C[C@H]21)C(F)(F)F ZINC000425672793 530940203 /nfs/dbraw/zinc/94/02/03/530940203.db2.gz LTFTVZQXKYXMBC-QJPTWQEYSA-N 0 3 386.440 0.544 20 0 GCADHN CSCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000262196157 530964896 /nfs/dbraw/zinc/96/48/96/530964896.db2.gz VEAUQKRILPCLNL-LBPRGKRZSA-N 0 3 376.504 0.205 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000631897740 530941030 /nfs/dbraw/zinc/94/10/30/530941030.db2.gz NGTDDOGJRHALSL-UHFFFAOYSA-N 0 3 386.543 0.714 20 0 GCADHN CCCS(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1 ZINC000425183955 530941317 /nfs/dbraw/zinc/94/13/17/530941317.db2.gz HWVUFZJUSREUCT-OAHLLOKOSA-N 0 3 389.543 0.746 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000418846085 530941717 /nfs/dbraw/zinc/94/17/17/530941717.db2.gz QJSXEAUVWGTDNH-LBPRGKRZSA-N 0 3 386.290 0.849 20 0 GCADHN COCCNCCNC(=O)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000418846084 530941906 /nfs/dbraw/zinc/94/19/06/530941906.db2.gz QJSXEAUVWGTDNH-GFCCVEGCSA-N 0 3 386.290 0.849 20 0 GCADHN C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418847406 530942167 /nfs/dbraw/zinc/94/21/67/530942167.db2.gz VIZPIXDXYKFQKV-FZMZJTMJSA-N 0 3 384.274 0.601 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000512452944 530943302 /nfs/dbraw/zinc/94/33/02/530943302.db2.gz CZJCRVCUODYZRG-UONOGXRCSA-N 0 3 381.564 0.498 20 0 GCADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000512452939 530943552 /nfs/dbraw/zinc/94/35/52/530943552.db2.gz CZJCRVCUODYZRG-KBPBESRZSA-N 0 3 381.564 0.498 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000512565208 530943740 /nfs/dbraw/zinc/94/37/40/530943740.db2.gz ORCUBZDTHDVKGB-QWRGUYRKSA-N 0 3 397.544 0.381 20 0 GCADHN O=S(=O)(CCCN1CCCC1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000631786314 530947600 /nfs/dbraw/zinc/94/76/00/530947600.db2.gz VFWSJGZCTDZSBC-INIZCTEOSA-N 0 3 377.576 0.600 20 0 GCADHN C[C@@H](NS(=O)(=O)CCCN(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000631777394 530947754 /nfs/dbraw/zinc/94/77/54/530947754.db2.gz IAHRGZPOFAZXEF-CYBMUJFWSA-N 0 3 377.532 0.869 20 0 GCADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631785129 530947761 /nfs/dbraw/zinc/94/77/61/530947761.db2.gz CHHQPLZFFXOKOK-CVEARBPZSA-N 0 3 375.535 0.665 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000631784184 530947776 /nfs/dbraw/zinc/94/77/76/530947776.db2.gz OTYMYEQUPNCAIW-UHFFFAOYSA-N 0 3 375.516 0.698 20 0 GCADHN CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)CCCN(C)C)cc1 ZINC000631795155 530948420 /nfs/dbraw/zinc/94/84/20/530948420.db2.gz GTZGFKVOASZLLS-UHFFFAOYSA-N 0 3 391.559 0.886 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21)C1CC1 ZINC000418890587 530949139 /nfs/dbraw/zinc/94/91/39/530949139.db2.gz WHAIIASSIBKOMS-NEPJUHHUSA-N 0 3 386.221 0.991 20 0 GCADHN CN(C)CCCS(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cn1 ZINC000631887233 530949773 /nfs/dbraw/zinc/94/97/73/530949773.db2.gz PFHXCOZKNPMNKN-UHFFFAOYSA-N 0 3 393.307 0.996 20 0 GCADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCC(C)(C)S(C)(=O)=O ZINC000682836266 530950150 /nfs/dbraw/zinc/95/01/50/530950150.db2.gz RBGGKAOVOQHXPU-UHFFFAOYSA-N 0 3 380.536 0.163 20 0 GCADHN COCCN(Cc1cc(Br)cs1)C(=O)C(=O)N[C@@H](C)CN ZINC000420034184 530965348 /nfs/dbraw/zinc/96/53/48/530965348.db2.gz XFYUTQQCFMJWMF-VIFPVBQESA-N 0 3 378.292 0.949 20 0 GCADHN NCCN(CCO)C(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000418939545 530951113 /nfs/dbraw/zinc/95/11/13/530951113.db2.gz RIBLGJIRDVNDAG-UHFFFAOYSA-N 0 3 398.301 0.767 20 0 GCADHN COCCNCCNC(=O)C(=O)NCCc1cc(Br)ccc1F ZINC000418925581 530951246 /nfs/dbraw/zinc/95/12/46/530951246.db2.gz RWEWTLRFIUIHOB-UHFFFAOYSA-N 0 3 390.253 0.599 20 0 GCADHN CN(C1CC[NH2+]CC1)S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000631921855 530951355 /nfs/dbraw/zinc/95/13/55/530951355.db2.gz LNBMLGYTNKSMFW-OAHLLOKOSA-N 0 3 386.905 0.964 20 0 GCADHN O=C(NCCOc1cccc(Br)c1)C(=O)NC[C@H]1CNCCO1 ZINC000418951438 530952195 /nfs/dbraw/zinc/95/21/95/530952195.db2.gz PYYMSKPTYTXHEN-CYBMUJFWSA-N 0 3 386.246 0.049 20 0 GCADHN C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419015291 530952494 /nfs/dbraw/zinc/95/24/94/530952494.db2.gz BIWMBGPSBSYRBY-DOMZBBRYSA-N 0 3 398.301 0.991 20 0 GCADHN O=C(NCc1nc2c(cccc2Br)[nH]1)C(=O)N1CCCNCC1 ZINC000418969998 530952831 /nfs/dbraw/zinc/95/28/31/530952831.db2.gz JWZJOHSBWOEQIZ-UHFFFAOYSA-N 0 3 380.246 0.764 20 0 GCADHN NCCNC(=O)C(=O)NCc1ccc(I)c(Cl)c1 ZINC000418964355 530952955 /nfs/dbraw/zinc/95/29/55/530952955.db2.gz JCRHIZCZRPNPOZ-UHFFFAOYSA-N 0 3 381.601 0.636 20 0 GCADHN CN(c1ccc(CNS(=O)(=O)CCCN2CCCC2)cc1)S(C)(=O)=O ZINC000631946808 530953064 /nfs/dbraw/zinc/95/30/64/530953064.db2.gz KFNUZZSTPHVSBP-UHFFFAOYSA-N 0 3 389.543 0.988 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1F ZINC000631970499 530954021 /nfs/dbraw/zinc/95/40/21/530954021.db2.gz UELBJJKQASYXAI-QWRGUYRKSA-N 0 3 377.463 0.712 20 0 GCADHN CC[C@@H](Cc1ccccc1Br)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000419051685 530954265 /nfs/dbraw/zinc/95/42/65/530954265.db2.gz GJRVMAFQXBRRDQ-KBPBESRZSA-N 0 3 398.301 0.991 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000419050339 530954298 /nfs/dbraw/zinc/95/42/98/530954298.db2.gz DHPMRCBIGPYUHM-JOYOIKCWSA-N 0 3 383.246 0.134 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000419161672 530955200 /nfs/dbraw/zinc/95/52/00/530955200.db2.gz FAWAQNWKIKUGIM-LBPRGKRZSA-N 0 3 397.317 0.993 20 0 GCADHN C[C@@H](CN)N(C)C(=O)C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000419161746 530955354 /nfs/dbraw/zinc/95/53/54/530955354.db2.gz SLASQPDQRLUWSK-VIFPVBQESA-N 0 3 386.246 0.642 20 0 GCADHN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)C(=O)N1CCCNCC1 ZINC000419178521 530955937 /nfs/dbraw/zinc/95/59/37/530955937.db2.gz BQSVIOYVHJEJJL-CQSZACIVSA-N 0 3 395.301 0.966 20 0 GCADHN C[C@@H](CN)NC(=O)C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000419153127 530956241 /nfs/dbraw/zinc/95/62/41/530956241.db2.gz OMKCEUPFAVTKMC-JTQLQIEISA-N 0 3 380.246 0.714 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000419144519 530956281 /nfs/dbraw/zinc/95/62/81/530956281.db2.gz FOMMPHLSWDAYBR-LBPRGKRZSA-N 0 3 398.257 0.690 20 0 GCADHN CN(C)CCCS(=O)(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000632312673 530965548 /nfs/dbraw/zinc/96/55/48/530965548.db2.gz WGXAAIHPCXPEPC-UHFFFAOYSA-N 0 3 391.506 0.259 20 0 GCADHN CO[C@H](CC(C)C)CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000420688233 530972477 /nfs/dbraw/zinc/97/24/77/530972477.db2.gz FDPDMLGCXUQKMJ-HZPDHXFCSA-N 0 3 375.535 0.616 20 0 GCADHN CCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000192909213 530973372 /nfs/dbraw/zinc/97/33/72/530973372.db2.gz AHVPVHBOUVXMHC-GFCCVEGCSA-N 0 3 386.440 0.995 20 0 GCADHN COc1ccc(Br)cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000226616494 530974831 /nfs/dbraw/zinc/97/48/31/530974831.db2.gz MCJKPKRQHAXPSG-NSHDSACASA-N 0 3 378.292 0.721 20 0 GCADHN CO[C@@H](CC(C)C)CS(=O)(=O)NCC(=O)NCCN1CCCCCC1 ZINC000420738985 530975019 /nfs/dbraw/zinc/97/50/19/530975019.db2.gz XXXPHJBWWCYBEW-INIZCTEOSA-N 0 3 377.551 0.959 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000632590469 530975689 /nfs/dbraw/zinc/97/56/89/530975689.db2.gz UYLAJHZOSXGLQE-MRXNPFEDSA-N 0 3 390.527 0.745 20 0 GCADHN CS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCN2CCCCCC2)s1 ZINC000421578733 530978502 /nfs/dbraw/zinc/97/85/02/530978502.db2.gz SASFGKDQNKMVRP-UHFFFAOYSA-N 0 3 387.527 0.874 20 0 GCADHN O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066945073 530978529 /nfs/dbraw/zinc/97/85/29/530978529.db2.gz MIVHQDIBQQBEQU-LLVKDONJSA-N 0 3 385.262 0.386 20 0 GCADHN CN(Cc1cc(Br)cs1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420188400 530966326 /nfs/dbraw/zinc/96/63/26/530966326.db2.gz COVOSRDDYKAOOH-JTQLQIEISA-N 0 3 376.276 0.574 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000420213489 530966515 /nfs/dbraw/zinc/96/65/15/530966515.db2.gz YPMDFHBHGJPBMT-OCCSQVGLSA-N 0 3 397.273 0.612 20 0 GCADHN O=C(NCCN1CC[NH2+]CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000236760883 530966532 /nfs/dbraw/zinc/96/65/32/530966532.db2.gz CYYBODAIBAYCSI-UHFFFAOYSA-N 0 3 379.258 0.926 20 0 GCADHN C[C@@H]1c2cccc(Br)c2CCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420198403 530966546 /nfs/dbraw/zinc/96/65/46/530966546.db2.gz MQLDDWMHUHAFAM-VXGBXAGGSA-N 0 3 396.285 0.999 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCc2c(Br)cccc2C1 ZINC000420205734 530966655 /nfs/dbraw/zinc/96/66/55/530966655.db2.gz SBKMOGGSMGLBOW-GFCCVEGCSA-N 0 3 382.258 0.438 20 0 GCADHN [NH3+]CC[C@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(F)F ZINC000420456200 530967884 /nfs/dbraw/zinc/96/78/84/530967884.db2.gz GSKCKOHCUHYXIF-LBPRGKRZSA-N 0 3 383.442 0.388 20 0 GCADHN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F)c1 ZINC000420462016 530968088 /nfs/dbraw/zinc/96/80/88/530968088.db2.gz MJNJSKIHRQVKRE-NSHDSACASA-N 0 3 380.369 0.521 20 0 GCADHN CC1(C)C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000420459550 530968206 /nfs/dbraw/zinc/96/82/06/530968206.db2.gz KEOZMAMPUVXHSP-CYBMUJFWSA-N 0 3 375.878 0.871 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Cc3ccc(I)cc3)CCN2C1=O ZINC000521645319 530968191 /nfs/dbraw/zinc/96/81/91/530968191.db2.gz FDVVZEXZLOYYSH-CHWSQXEVSA-N 0 3 399.232 0.604 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CC[NH2+]CC1(C)C ZINC000420465816 530968736 /nfs/dbraw/zinc/96/87/36/530968736.db2.gz QLSKXUFRFYZBDS-CQSZACIVSA-N 0 3 375.516 0.603 20 0 GCADHN CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1F ZINC000420476534 530968843 /nfs/dbraw/zinc/96/88/43/530968843.db2.gz ILEPDJNYKMQMKN-NSHDSACASA-N 0 3 395.478 0.243 20 0 GCADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](N(C)C)[C@@H]1C ZINC000632369870 530969020 /nfs/dbraw/zinc/96/90/20/530969020.db2.gz SCSCGAAVWDPSFN-QWHCGFSZSA-N 0 3 375.516 0.698 20 0 GCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000632368131 530969065 /nfs/dbraw/zinc/96/90/65/530969065.db2.gz CKBIWHLMYHBUPD-JSGCOSHPSA-N 0 3 387.527 0.840 20 0 GCADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000632370132 530969095 /nfs/dbraw/zinc/96/90/95/530969095.db2.gz VVHNPKMJUBOBFU-WFASDCNBSA-N 0 3 375.516 0.650 20 0 GCADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000632369893 530969126 /nfs/dbraw/zinc/96/91/26/530969126.db2.gz SIJCIGJMHIEAKD-OLZOCXBDSA-N 0 3 375.516 0.650 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1C(F)(F)F ZINC000420480827 530969187 /nfs/dbraw/zinc/96/91/87/530969187.db2.gz PPWSNLTZDAVCJJ-SECBINFHSA-N 0 3 382.360 0.759 20 0 GCADHN Cc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1I ZINC000420481425 530969573 /nfs/dbraw/zinc/96/95/73/530969573.db2.gz QYRONTAQPLUSJU-JTQLQIEISA-N 0 3 396.250 0.866 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000190908354 530970996 /nfs/dbraw/zinc/97/09/96/530970996.db2.gz CDCNJPNVDKKWMO-LBPRGKRZSA-N 0 3 383.440 0.750 20 0 GCADHN COCC1(C[N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)CC[NH2+]CC1 ZINC000262000965 530991728 /nfs/dbraw/zinc/99/17/28/530991728.db2.gz LHFYYWRKFVFWOP-UHFFFAOYSA-N 0 3 387.893 0.986 20 0 GCADHN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1F ZINC000262092418 530993032 /nfs/dbraw/zinc/99/30/32/530993032.db2.gz AMXHHHGGAWUEFV-CQSZACIVSA-N 0 3 379.479 0.993 20 0 GCADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC[C@H]2CC[NH2+]C2)s1 ZINC000262124272 530993751 /nfs/dbraw/zinc/99/37/51/530993751.db2.gz KWQWIISEVNFGAF-GFCCVEGCSA-N 0 3 395.572 0.508 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH2+]C)cc1F ZINC000262127219 530993900 /nfs/dbraw/zinc/99/39/00/530993900.db2.gz LLRNWAWFYQJITG-NSHDSACASA-N 0 3 379.479 0.960 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH2+]C)cc1F ZINC000262127218 530993988 /nfs/dbraw/zinc/99/39/88/530993988.db2.gz LLRNWAWFYQJITG-LLVKDONJSA-N 0 3 379.479 0.960 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000262172525 530995187 /nfs/dbraw/zinc/99/51/87/530995187.db2.gz XPJMFIZJGBFDOW-GFCCVEGCSA-N 0 3 391.515 0.735 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)n1 ZINC000659628954 530995489 /nfs/dbraw/zinc/99/54/89/530995489.db2.gz AKNSZNHWCCZASZ-LBPRGKRZSA-N 0 3 396.245 0.936 20 0 GCADHN COCCNCCNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000659529173 530995831 /nfs/dbraw/zinc/99/58/31/530995831.db2.gz WNQVCZRYYYUWHX-UHFFFAOYSA-N 0 3 388.266 0.109 20 0 GCADHN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)N ZINC000262202349 530996118 /nfs/dbraw/zinc/99/61/18/530996118.db2.gz DEZDFLZBLSMMAM-YPMHNXCESA-N 0 3 376.500 0.989 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCN(c2ccc(Br)cc2)CC1)C1CC1 ZINC000659718814 530996174 /nfs/dbraw/zinc/99/61/74/530996174.db2.gz RYTXDZYZGRWAFX-HNNXBMFYSA-N 0 3 395.301 0.951 20 0 GCADHN COC[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCC[NH2+]1 ZINC000262343511 530996447 /nfs/dbraw/zinc/99/64/47/530996447.db2.gz SYOMYKNTGWIBMG-HNNXBMFYSA-N 0 3 391.877 0.251 20 0 GCADHN C[C@H](Cn1cc(Br)cn1)NCCNS(=O)(=O)Cc1ccon1 ZINC000162377785 530996553 /nfs/dbraw/zinc/99/65/53/530996553.db2.gz FUXLBZGCXNNSLB-SNVBAGLBSA-N 0 3 392.279 0.731 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C2(S(C)(=O)=O)CCNCC2)C[C@@H](C)O1 ZINC000262354211 530996584 /nfs/dbraw/zinc/99/65/84/530996584.db2.gz JMGCATQHZVVSJB-ZIAGYGMSSA-N 0 3 375.535 0.157 20 0 GCADHN CCOCCN1CCN(C(=O)C2(S(C)(=O)=O)CCNCC2)C[C@H]1CC ZINC000262415252 530996914 /nfs/dbraw/zinc/99/69/14/530996914.db2.gz QYYMETXFDFZAFF-OAHLLOKOSA-N 0 3 375.535 0.113 20 0 GCADHN CS(=O)(=O)C1(C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CCNCC1 ZINC000262385122 530997112 /nfs/dbraw/zinc/99/71/12/530997112.db2.gz NMXHFQFFXNAFDS-UHFFFAOYSA-N 0 3 392.543 0.113 20 0 GCADHN CCOCCN1CCN(C(=O)C2(S(C)(=O)=O)CCNCC2)C[C@@H]1CC ZINC000262415246 530997329 /nfs/dbraw/zinc/99/73/29/530997329.db2.gz QYYMETXFDFZAFF-HNNXBMFYSA-N 0 3 375.535 0.113 20 0 GCADHN CS(=O)(=O)C1(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)CCNCC1 ZINC000262398396 530997930 /nfs/dbraw/zinc/99/79/30/530997930.db2.gz PFQNTMQMLZRHQZ-UHFFFAOYSA-N 0 3 389.415 0.198 20 0 GCADHN CC(C)O[C@]1(CS(=O)(=O)NCCCCN2CCC[C@H]2CO)CCOC1 ZINC000659915025 530998225 /nfs/dbraw/zinc/99/82/25/530998225.db2.gz NTBGKVMUAOYVBL-DLBZAZTESA-N 0 3 378.535 0.727 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)CCCS(=O)(=O)C(C)C(N)=O)cc1 ZINC000524486813 530987012 /nfs/dbraw/zinc/98/70/12/530987012.db2.gz WFVALDLQZJDNCS-JTQLQIEISA-N 0 3 376.456 0.097 20 0 GCADHN CN(C)CCOC1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000524648571 530987512 /nfs/dbraw/zinc/98/75/12/530987512.db2.gz DIKLXPSTNJMGEI-UHFFFAOYSA-N 0 3 390.527 0.821 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660415897 531007264 /nfs/dbraw/zinc/00/72/64/531007264.db2.gz ADXSQFWGKYFOBF-OAHLLOKOSA-N 0 3 376.523 0.211 20 0 GCADHN CC(C)(C)NS(=O)(=O)CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660582076 531008086 /nfs/dbraw/zinc/00/80/86/531008086.db2.gz KKLJFZLNJKZGIC-CQSZACIVSA-N 0 3 376.523 0.257 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000572465423 531009070 /nfs/dbraw/zinc/00/90/70/531009070.db2.gz HJRNURUMLPHEAI-UHFFFAOYSA-N 0 3 375.828 0.817 20 0 GCADHN CN(C)[C@@]1(CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCSC1 ZINC000332955809 531010530 /nfs/dbraw/zinc/01/05/30/531010530.db2.gz IOCXDOPDOKXFOD-UKRRQHHQSA-N 0 3 378.564 0.395 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000422169062 531011146 /nfs/dbraw/zinc/01/11/46/531011146.db2.gz UINZODUEBNBUNL-CABCVRRESA-N 0 3 376.523 0.211 20 0 GCADHN CN(CCN)C(=O)C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000423600950 531018026 /nfs/dbraw/zinc/01/80/26/531018026.db2.gz SFLFSADKRBHDDL-UHFFFAOYSA-N 0 3 395.261 0.405 20 0 GCADHN CN(C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)[C@H](C[NH3+])C1CC1 ZINC000423944204 531018777 /nfs/dbraw/zinc/01/87/77/531018777.db2.gz HDPWVWQEQKZALO-SECBINFHSA-N 0 3 396.332 0.985 20 0 GCADHN C[C@@H]1CCCN(C(=O)C(=O)N(C)CCn2cc(Br)cn2)[C@H]1CN ZINC000423738979 531018921 /nfs/dbraw/zinc/01/89/21/531018921.db2.gz QWADCLMIHJWTMI-YPMHNXCESA-N 0 3 386.294 0.690 20 0 GCADHN O=C(NC[C@H]1CNCCO1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000423984052 531019456 /nfs/dbraw/zinc/01/94/56/531019456.db2.gz BDALOLQWDCGTHL-SMDDNHRTSA-N 0 3 382.258 0.907 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC3CCN(C)CC3)CC2)cs1 ZINC000527151667 531020742 /nfs/dbraw/zinc/02/07/42/531020742.db2.gz SUMPRNLBXYTATI-UHFFFAOYSA-N 0 3 387.531 0.562 20 0 GCADHN COC(=O)c1scc(C)c1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000527194328 531021443 /nfs/dbraw/zinc/02/14/43/531021443.db2.gz BEXCXLIXULEZSJ-UHFFFAOYSA-N 0 3 377.532 0.957 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627252375 531021930 /nfs/dbraw/zinc/02/19/30/531021930.db2.gz RZUBOENSFXECHV-UONOGXRCSA-N 0 3 387.889 0.286 20 0 GCADHN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627252376 531022379 /nfs/dbraw/zinc/02/23/79/531022379.db2.gz RZUBOENSFXECHV-ZIAGYGMSSA-N 0 3 387.889 0.286 20 0 GCADHN CN(CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(=O)c1ccc(Br)o1 ZINC000662752120 531022626 /nfs/dbraw/zinc/02/26/26/531022626.db2.gz PSOVDPDTDUETRT-UHFFFAOYSA-N 0 3 398.217 0.385 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H](C(C)C)N1CCCCCC1 ZINC000663561626 531035120 /nfs/dbraw/zinc/03/51/20/531035120.db2.gz UQFQSWLRMIZBCM-OWCLPIDISA-N 0 3 375.535 0.998 20 0 GCADHN O=C(C(=O)N1CCCNCC1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000662954700 531029228 /nfs/dbraw/zinc/02/92/28/531029228.db2.gz NHBFOSARNQFJNQ-UHFFFAOYSA-N 0 3 395.301 0.920 20 0 GCADHN CC(C(=O)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1)S(C)(=O)=O ZINC000538024555 531029751 /nfs/dbraw/zinc/02/97/51/531029751.db2.gz ROJDNRBGQYHUEH-KFWWJZLASA-N 0 3 376.519 0.536 20 0 GCADHN CC(C(=O)N1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000538024556 531029817 /nfs/dbraw/zinc/02/98/17/531029817.db2.gz ROJDNRBGQYHUEH-QLFBSQMISA-N 0 3 376.519 0.536 20 0 GCADHN CNS(=O)(=O)[C@H]1CCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000533067609 531031963 /nfs/dbraw/zinc/03/19/63/531031963.db2.gz CFXDDEFVCZEOBW-AWEZNQCLSA-N 0 3 376.523 0.209 20 0 GCADHN CC[C@H](C)NC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000663296083 531032504 /nfs/dbraw/zinc/03/25/04/531032504.db2.gz AKWMDCVFQAEPTC-NWDGAFQWSA-N 0 3 376.500 0.813 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)Cn3cc(Br)ccc3=O)C[C@H]2N)cn1 ZINC000424225769 531032556 /nfs/dbraw/zinc/03/25/56/531032556.db2.gz NJMQALIVZVTLPQ-QWHCGFSZSA-N 0 3 380.246 0.298 20 0 GCADHN CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000663313046 531032738 /nfs/dbraw/zinc/03/27/38/531032738.db2.gz PXSLZTGAAXSTPS-AWEZNQCLSA-N 0 3 377.488 0.487 20 0 GCADHN CN1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)[C@@H](CN)C1 ZINC000162469834 531001943 /nfs/dbraw/zinc/00/19/43/531001943.db2.gz DYZYVODJUBTZEV-NSHDSACASA-N 0 3 395.257 0.146 20 0 GCADHN O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCCc2nsc3ccccc23)C1 ZINC000660073436 531003012 /nfs/dbraw/zinc/00/30/12/531003012.db2.gz BZKCVKBKFBDLBK-CVEARBPZSA-N 0 3 381.523 0.926 20 0 GCADHN CC[NH+](CC)CC[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000572406934 531004248 /nfs/dbraw/zinc/00/42/48/531004248.db2.gz WQNVSMQKZWKBAC-LLVKDONJSA-N 0 3 397.950 0.889 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000262759059 531061775 /nfs/dbraw/zinc/06/17/75/531061775.db2.gz IUVUNXKCAPLWBI-CHWSQXEVSA-N 0 3 375.516 0.733 20 0 GCADHN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC[NH2+]1 ZINC000262769115 531064218 /nfs/dbraw/zinc/06/42/18/531064218.db2.gz LUAPNVLVGUVMJL-KBPBESRZSA-N 0 3 387.527 0.890 20 0 GCADHN O=S(=O)([N-]CC1=CC[NH2+]CC1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000262780664 531066191 /nfs/dbraw/zinc/06/61/91/531066191.db2.gz OXGDCWKBTSGMTE-UHFFFAOYSA-N 0 3 385.511 0.669 20 0 GCADHN COC[C@H](NCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000542522521 531066820 /nfs/dbraw/zinc/06/68/20/531066820.db2.gz VMKKPFCVEQTMJJ-OAGGEKHMSA-N 0 3 376.519 0.442 20 0 GCADHN CN(C)CCOCCNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000542457876 531066946 /nfs/dbraw/zinc/06/69/46/531066946.db2.gz PRFDYJGPXNUHSB-UHFFFAOYSA-N 0 3 377.894 0.703 20 0 GCADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@H](C(C)C)N1CCCCCC1 ZINC000663561623 531035482 /nfs/dbraw/zinc/03/54/82/531035482.db2.gz UQFQSWLRMIZBCM-ARFHVFGLSA-N 0 3 375.535 0.998 20 0 GCADHN CCc1oc(C(=O)OC)cc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000538703596 531035807 /nfs/dbraw/zinc/03/58/07/531035807.db2.gz BMXJAXLKMKYOPT-UHFFFAOYSA-N 0 3 375.491 0.743 20 0 GCADHN Cn1cc(S(=O)(=O)N2CCC(NCc3cc(C(N)=O)cs3)CC2)cn1 ZINC000533187276 531037492 /nfs/dbraw/zinc/03/74/92/531037492.db2.gz KSAMDOQFUKJARX-UHFFFAOYSA-N 0 3 383.499 0.523 20 0 GCADHN CCN(CCN1CCCCCC1)C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O ZINC000564212856 531037706 /nfs/dbraw/zinc/03/77/06/531037706.db2.gz VDWXXZKLMMBDIA-JKSUJKDBSA-N 0 3 375.535 0.760 20 0 GCADHN CCCN1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)C1 ZINC000539187253 531039729 /nfs/dbraw/zinc/03/97/29/531039729.db2.gz FZFUHZIVJQFNGH-GFCCVEGCSA-N 0 3 375.516 0.881 20 0 GCADHN CCCCN(C)CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000539163584 531039914 /nfs/dbraw/zinc/03/99/14/531039914.db2.gz IKJFGJSGVOUTRH-UHFFFAOYSA-N 0 3 387.278 0.934 20 0 GCADHN C[C@H](NCCCS(=O)(=O)N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000539275645 531041169 /nfs/dbraw/zinc/04/11/69/531041169.db2.gz HWYGGPCBCBQPHH-ZDUSSCGKSA-N 0 3 377.532 0.869 20 0 GCADHN CS[C@H]1CN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H]1N(C)C ZINC000539492515 531042293 /nfs/dbraw/zinc/04/22/93/531042293.db2.gz ZRALGGPQMJDWPP-CABCVRRESA-N 0 3 394.607 0.140 20 0 GCADHN COCCN(C(=O)NC[C@@H]1CCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000536978543 531042835 /nfs/dbraw/zinc/04/28/35/531042835.db2.gz RFWHEEZUSYTXRV-HOTGVXAUSA-N 0 3 375.535 0.809 20 0 GCADHN C[NH+](C)C[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000614860847 531044173 /nfs/dbraw/zinc/04/41/73/531044173.db2.gz VTFHQUSMUDPHLQ-VIFPVBQESA-N 0 3 384.285 0.310 20 0 GCADHN CCN1CCN(CCNC(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000120506728 531045402 /nfs/dbraw/zinc/04/54/02/531045402.db2.gz SOGVEXVLDQOPPS-UHFFFAOYSA-N 0 3 385.306 0.755 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)NCCNS(=O)(=O)N(C)C)o1 ZINC000665016301 531047452 /nfs/dbraw/zinc/04/74/52/531047452.db2.gz DUSLQBULOWJJET-UHFFFAOYSA-N 0 3 375.495 0.057 20 0 GCADHN CN(C)C[C@@H](NC(=O)NCCOCCS(N)(=O)=O)c1ccc(F)cc1 ZINC000665105792 531048300 /nfs/dbraw/zinc/04/83/00/531048300.db2.gz CWRGTSQNOPLQNY-CQSZACIVSA-N 0 3 376.454 0.033 20 0 GCADHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C ZINC000349487339 531054001 /nfs/dbraw/zinc/05/40/01/531054001.db2.gz XIFWCYODIOKHAW-LSDHHAIUSA-N 0 3 395.591 0.983 20 0 GCADHN O=S(=O)(N[C@H]1CCCNC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000262725928 531056908 /nfs/dbraw/zinc/05/69/08/531056908.db2.gz AEAPJIPELNKCJD-AWEZNQCLSA-N 0 3 387.527 0.892 20 0 GCADHN 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C[C@@H]1CN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)N1 ZINC000430966491 531114388 /nfs/dbraw/zinc/11/43/88/531114388.db2.gz NZYGOXGNKIEKQN-KFWWJZLASA-N 0 3 385.555 0.946 20 0 GCADHN CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C[C@@H]1N1CCCC1 ZINC000548516931 531117120 /nfs/dbraw/zinc/11/71/20/531117120.db2.gz OVNHMWIHXWPFPE-LSDHHAIUSA-N 0 3 386.543 0.917 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000673520916 531117170 /nfs/dbraw/zinc/11/71/70/531117170.db2.gz MMOIQDASPKZVGN-NEPJUHHUSA-N 0 3 384.274 0.841 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000673522911 531117213 /nfs/dbraw/zinc/11/72/13/531117213.db2.gz UDOWDIOTRGJOTA-NEPJUHHUSA-N 0 3 384.274 0.841 20 0 GCADHN O=C(CNC(=O)c1cccc(Br)c1)N[C@H](CO)CN1CCCC1 ZINC000673530056 531117905 /nfs/dbraw/zinc/11/79/05/531117905.db2.gz FADHVHWFRWZCRP-AWEZNQCLSA-N 0 3 384.274 0.752 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](CO)CN(C)C)C2)s1 ZINC000673524581 531118254 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COC1CCN(CCNC(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000676611284 531140181 /nfs/dbraw/zinc/14/01/81/531140181.db2.gz OEBRIMDOGSEURN-UHFFFAOYSA-N 0 3 390.531 0.436 20 0 GCADHN CCS(=O)(=O)N1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433445065 531129608 /nfs/dbraw/zinc/12/96/08/531129608.db2.gz AIMZKLZCQQARHK-OAHLLOKOSA-N 0 3 376.523 0.164 20 0 GCADHN COCCN(C(=O)CN[C@@H](C1CC1)C(C)(C)CO)[C@H]1CCS(=O)(=O)C1 ZINC000550103161 531130301 /nfs/dbraw/zinc/13/03/01/531130301.db2.gz YTTHZLPXUMXGJJ-HOCLYGCPSA-N 0 3 376.519 0.035 20 0 GCADHN CN(CCCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)CC(F)(F)F ZINC000550840338 531133877 /nfs/dbraw/zinc/13/38/77/531133877.db2.gz MJTQNNGYWJLKPU-CQSZACIVSA-N 0 3 384.468 0.540 20 0 GCADHN O=C(CSc1nnnn1CC(F)(F)F)NC[C@@H](O)CN1CCCCC1 ZINC000434419675 531135545 /nfs/dbraw/zinc/13/55/45/531135545.db2.gz MUYTWTFJIMSKQR-SNVBAGLBSA-N 0 3 382.412 0.291 20 0 GCADHN O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@@H](CO)CN1CCCC1 ZINC000640325501 531138369 /nfs/dbraw/zinc/13/83/69/531138369.db2.gz UDCOLKDXIYYPQS-CYBMUJFWSA-N 0 3 389.905 0.581 20 0 GCADHN CS(=O)(=O)NC[C@H]1CCCN(CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000434833905 531138427 /nfs/dbraw/zinc/13/84/27/531138427.db2.gz YZGXGWJSHVIPHK-SNVBAGLBSA-N 0 3 388.412 0.026 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000446409472 531143454 /nfs/dbraw/zinc/14/34/54/531143454.db2.gz WHTWXBIWPZTSCQ-RYUDHWBXSA-N 0 3 388.515 0.049 20 0 GCADHN C[NH2+]C[C@H](C)CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000154789350 531143995 /nfs/dbraw/zinc/14/39/95/531143995.db2.gz GYRMPARSSMWDKI-QMMMGPOBSA-N 0 3 384.321 0.761 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C[C@@H]1O ZINC000552439433 531144111 /nfs/dbraw/zinc/14/41/11/531144111.db2.gz LHOZSEYHQAEFCG-CQDKDKBSSA-N 0 3 396.285 0.935 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(Br)cc2)n1 ZINC000553074585 531148415 /nfs/dbraw/zinc/14/84/15/531148415.db2.gz PNQOJULINQULIA-UHFFFAOYSA-N 0 3 381.278 0.736 20 0 GCADHN COCCc1nc(C)c([C@H](C)NCCN2CCN(S(C)(=O)=O)CC2)s1 ZINC000678424692 531151489 /nfs/dbraw/zinc/15/14/89/531151489.db2.gz ROADPHDPJIYBIZ-ZDUSSCGKSA-N 0 3 390.575 0.868 20 0 GCADHN CCN1CCN(C[C@H](C)CNS(=O)(=O)CC2(CC(=O)OC)CC2)CC1 ZINC000437249505 531148096 /nfs/dbraw/zinc/14/80/96/531148096.db2.gz VESXRPIZJKBOJF-OAHLLOKOSA-N 0 3 375.535 0.523 20 0 GCADHN COCCCN(C)CCNC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000553942479 531158792 /nfs/dbraw/zinc/15/87/92/531158792.db2.gz AFSCVDIDPQIONZ-HNNXBMFYSA-N 0 3 378.539 0.268 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000554131771 531160141 /nfs/dbraw/zinc/16/01/41/531160141.db2.gz QOGHDFHCWWZHDM-ARFHVFGLSA-N 0 3 375.535 0.520 20 0 GCADHN Cn1cc(Br)c(C(=O)NCC(=O)NCCN2CCCCCC2)n1 ZINC000554232410 531160889 /nfs/dbraw/zinc/16/08/89/531160889.db2.gz FYOQFBNQNPHNSD-UHFFFAOYSA-N 0 3 386.294 0.905 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000439614158 531162819 /nfs/dbraw/zinc/16/28/19/531162819.db2.gz OZCNLTWVFHWKHF-UHFFFAOYSA-N 0 3 375.828 0.817 20 0 GCADHN O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000554867638 531165438 /nfs/dbraw/zinc/16/54/38/531165438.db2.gz WDLVGTNPRYQRAD-AWEZNQCLSA-N 0 3 393.918 0.253 20 0 GCADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000681494430 531166611 /nfs/dbraw/zinc/16/66/11/531166611.db2.gz YUNWSFAVSROXDA-UHFFFAOYSA-N 0 3 391.519 0.171 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000439926082 531166022 /nfs/dbraw/zinc/16/60/22/531166022.db2.gz CCGDUEVRGRMZNY-HNNXBMFYSA-N 0 3 376.523 0.020 20 0 GCADHN Cc1nc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)sc1C(F)(F)F ZINC000555262086 531168407 /nfs/dbraw/zinc/16/84/07/531168407.db2.gz QJKOPTQGPZFDTK-UHFFFAOYSA-N 0 3 380.392 0.982 20 0 GCADHN CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000682256497 531171449 /nfs/dbraw/zinc/17/14/49/531171449.db2.gz GCYKHIGPBZGEQZ-HZPDHXFCSA-N 0 3 387.527 0.888 20 0 GCADHN C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@@H]1C[NH3+] ZINC000440428522 531173304 /nfs/dbraw/zinc/17/33/04/531173304.db2.gz QMRQFPSTYVMNTK-IINYFYTJSA-N 0 3 379.479 0.945 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000564611186 531175337 /nfs/dbraw/zinc/17/53/37/531175337.db2.gz ZCKLQTFACKBHIJ-GRYCIOLGSA-N 0 3 390.424 0.587 20 0 GCADHN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000564470527 531174479 /nfs/dbraw/zinc/17/44/79/531174479.db2.gz IPMIGSGDQCRYBV-NEPJUHHUSA-N 0 3 395.257 0.466 20 0 GCADHN CO[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)[C@H](CN)C1 ZINC000440836921 531177084 /nfs/dbraw/zinc/17/70/84/531177084.db2.gz HSFVGVGZJKYAPF-QWHCGFSZSA-N 0 3 376.500 0.525 20 0 GCADHN CS(=O)(=O)CCCS(=O)(=O)N[C@H]1CNCC[C@H]1c1ccc(F)c(F)c1 ZINC000440808176 531177092 /nfs/dbraw/zinc/17/70/92/531177092.db2.gz LPGMKFIGTTZSFE-WFASDCNBSA-N 0 3 396.481 0.764 20 0 GCADHN CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2CN)c1 ZINC000440864839 531177652 /nfs/dbraw/zinc/17/76/52/531177652.db2.gz WWNUSNCJDUYLEA-OLZOCXBDSA-N 0 3 376.500 0.607 20 0 GCADHN NC[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCc1n[nH]cc1Br ZINC000564980427 531178345 /nfs/dbraw/zinc/17/83/45/531178345.db2.gz RXJZWKWWTOROEX-CQSZACIVSA-N 0 3 392.257 0.873 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ncccc1C(F)(F)F ZINC000645836257 531180331 /nfs/dbraw/zinc/18/03/31/531180331.db2.gz LHACKJZAJZPDRX-JTQLQIEISA-N 0 3 380.392 0.841 20 0 GCADHN COc1cc(Br)c(S(=O)(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000262298570 531179543 /nfs/dbraw/zinc/17/95/43/531179543.db2.gz OICBHNMYYFZNAA-VIFPVBQESA-N 0 3 395.275 0.733 20 0 GCADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(F)c3)CCN2C1=O ZINC000565240449 531182628 /nfs/dbraw/zinc/18/26/28/531182628.db2.gz WTRXCFHZIQCXNO-PRHODGIISA-N 0 3 392.250 0.521 20 0 GCADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(F)c3)CCN2C1=O ZINC000565240448 531182767 /nfs/dbraw/zinc/18/27/67/531182767.db2.gz WTRXCFHZIQCXNO-PELKAZGASA-N 0 3 392.250 0.521 20 0 GCADHN N[C@H]1C[C@H]2CN(Cc3nnnn3-c3ccccc3Br)CCN2C1=O ZINC000565237489 531182842 /nfs/dbraw/zinc/18/28/42/531182842.db2.gz CNNUCDAPAAAJSX-JQWIXIFHSA-N 0 3 392.261 0.169 20 0 GCADHN Cc1c(Br)cccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565249445 531183226 /nfs/dbraw/zinc/18/32/26/531183226.db2.gz HJSPXPUMNQOYEM-PWSUYJOCSA-N 0 3 395.257 0.466 20 0 GCADHN Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1Br ZINC000565251631 531183369 /nfs/dbraw/zinc/18/33/69/531183369.db2.gz URDUSTGHUZPGBC-MNOVXSKESA-N 0 3 395.257 0.466 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCCCn3cc(Br)cn3)CCN2C1=O ZINC000565250803 531183543 /nfs/dbraw/zinc/18/35/43/531183543.db2.gz QPYJSTWFCMTKTF-CHWSQXEVSA-N 0 3 399.293 0.379 20 0 GCADHN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC[C@@](C)(O)CN(C)C ZINC000153134344 531185919 /nfs/dbraw/zinc/18/59/19/531185919.db2.gz YLWRIRNTPBVVBJ-MEDUHNTESA-N 0 3 386.290 0.996 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCc3ccccc3Br)CCN2C1=O ZINC000565668457 531188456 /nfs/dbraw/zinc/18/84/56/531188456.db2.gz ABHMJFLSZJSCTH-OCCSQVGLSA-N 0 3 381.274 0.945 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCc3ccccc3Br)CCN2C1=O ZINC000565668458 531188673 /nfs/dbraw/zinc/18/86/73/531188673.db2.gz ABHMJFLSZJSCTH-TZMCWYRMSA-N 0 3 381.274 0.945 20 0 GCADHN C[C@H](NC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)NCCN(C)C ZINC000565552672 531187259 /nfs/dbraw/zinc/18/72/59/531187259.db2.gz BSNODICMFZTNPV-NSHDSACASA-N 0 3 399.289 0.361 20 0 GCADHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000442734522 531189250 /nfs/dbraw/zinc/18/92/50/531189250.db2.gz DNZYMJNMXDKTQI-FZMZJTMJSA-N 0 3 375.516 0.759 20 0 GCADHN CN(C)C[C@@H](O)COc1ccc(NS(=O)(=O)CCCS(C)(=O)=O)cc1 ZINC000443176676 531197807 /nfs/dbraw/zinc/19/78/07/531197807.db2.gz VIPOTRVRHQYVGU-CQSZACIVSA-N 0 3 394.515 0.164 20 0 GCADHN COC(=O)c1sccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000443087366 531196746 /nfs/dbraw/zinc/19/67/46/531196746.db2.gz RMSIHPWEQAGYPM-LLVKDONJSA-N 0 3 389.499 0.400 20 0 GCADHN CN(C)C[C@@H]1CN(S(=O)(=O)CCCN2CCOCC2)c2ccccc2O1 ZINC000359879868 212122163 /nfs/dbraw/zinc/12/21/63/212122163.db2.gz ZMOSQLRRWVTHBX-MRXNPFEDSA-N 0 3 383.514 0.868 20 0 GCADHN C[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000359958118 206273362 /nfs/dbraw/zinc/27/33/62/206273362.db2.gz JFOJZWLSRUPQQR-ROUUACIJSA-N 0 3 381.542 0.845 20 0 GCADHN C[C@H]([NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1ccc(NC(N)=O)cc1 ZINC000736132696 598837117 /nfs/dbraw/zinc/83/71/17/598837117.db2.gz CGFAIFHCHXKEPY-QWRGUYRKSA-N 0 3 382.432 0.946 20 0 GCADHN C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1ccc(NC(N)=O)cc1 ZINC000736132696 598837119 /nfs/dbraw/zinc/83/71/19/598837119.db2.gz CGFAIFHCHXKEPY-QWRGUYRKSA-N 0 3 382.432 0.946 20 0 GCADHN CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000736706453 598841316 /nfs/dbraw/zinc/84/13/16/598841316.db2.gz SREOKAJSJGVHCY-HIFRSBDPSA-N 0 3 393.455 0.731 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000736902967 598862892 /nfs/dbraw/zinc/86/28/92/598862892.db2.gz WWUJVMZTDKBLON-GUYCJALGSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000736902967 598862893 /nfs/dbraw/zinc/86/28/93/598862893.db2.gz WWUJVMZTDKBLON-GUYCJALGSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000736902967 598862895 /nfs/dbraw/zinc/86/28/95/598862895.db2.gz WWUJVMZTDKBLON-GUYCJALGSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000736902967 598862897 /nfs/dbraw/zinc/86/28/97/598862897.db2.gz WWUJVMZTDKBLON-GUYCJALGSA-N 0 3 388.472 0.858 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000736902977 598864399 /nfs/dbraw/zinc/86/43/99/598864399.db2.gz WYJCGGSTPFCGOG-ZWKOTPCHSA-N 0 3 399.499 0.793 20 0 GCADHN COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000736902977 598864400 /nfs/dbraw/zinc/86/44/00/598864400.db2.gz WYJCGGSTPFCGOG-ZWKOTPCHSA-N 0 3 399.499 0.793 20 0 GCADHN C[NH+](C)C1(CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC000736755610 598879845 /nfs/dbraw/zinc/87/98/45/598879845.db2.gz BKIJOYLCXRWJJT-UHFFFAOYSA-N 0 3 389.464 0.084 20 0 GCADHN C[NH+](C)C1(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC000736755610 598879847 /nfs/dbraw/zinc/87/98/47/598879847.db2.gz BKIJOYLCXRWJJT-UHFFFAOYSA-N 0 3 389.464 0.084 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000737296770 598931759 /nfs/dbraw/zinc/93/17/59/598931759.db2.gz ONXBLJSBTOETRS-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000737296770 598931760 /nfs/dbraw/zinc/93/17/60/598931760.db2.gz ONXBLJSBTOETRS-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000737296770 598931761 /nfs/dbraw/zinc/93/17/61/598931761.db2.gz ONXBLJSBTOETRS-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000737296770 598931762 /nfs/dbraw/zinc/93/17/62/598931762.db2.gz ONXBLJSBTOETRS-CYBMUJFWSA-N 0 3 394.501 0.641 20 0 GCADHN O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)NC1CC[NH+](CCO)CC1 ZINC000738146223 598933790 /nfs/dbraw/zinc/93/37/90/598933790.db2.gz VGVQNXRDFAZWDL-UHFFFAOYSA-N 0 3 393.835 0.032 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000737161937 599010712 /nfs/dbraw/zinc/01/07/12/599010712.db2.gz ODIBKDKNBOSDBO-QJPTWQEYSA-N 0 3 380.478 0.050 20 0 GCADHN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000737161937 599010714 /nfs/dbraw/zinc/01/07/14/599010714.db2.gz ODIBKDKNBOSDBO-QJPTWQEYSA-N 0 3 380.478 0.050 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859762 599074925 /nfs/dbraw/zinc/07/49/25/599074925.db2.gz JBQSBDPOXIBZFW-QZTJIDSGSA-N 0 3 398.515 0.495 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736859762 599074927 /nfs/dbraw/zinc/07/49/27/599074927.db2.gz JBQSBDPOXIBZFW-QZTJIDSGSA-N 0 3 398.515 0.495 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC([N@H+](C)CCCO)CC1 ZINC000735561207 599079298 /nfs/dbraw/zinc/07/92/98/599079298.db2.gz JLTPTMFTUVXICG-AWEZNQCLSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000735561207 599079301 /nfs/dbraw/zinc/07/93/01/599079301.db2.gz JLTPTMFTUVXICG-AWEZNQCLSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC([N@H+](C)CCCO)CC1 ZINC000735561207 599079304 /nfs/dbraw/zinc/07/93/04/599079304.db2.gz JLTPTMFTUVXICG-AWEZNQCLSA-N 0 3 387.488 0.972 20 0 GCADHN C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000735561207 599079308 /nfs/dbraw/zinc/07/93/08/599079308.db2.gz JLTPTMFTUVXICG-AWEZNQCLSA-N 0 3 387.488 0.972 20 0 GCADHN O=C(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737839885 599145723 /nfs/dbraw/zinc/14/57/23/599145723.db2.gz WITKFPULQVTDHI-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@H](CN2CCOCC2)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737839885 599145724 /nfs/dbraw/zinc/14/57/24/599145724.db2.gz WITKFPULQVTDHI-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737839885 599145725 /nfs/dbraw/zinc/14/57/25/599145725.db2.gz WITKFPULQVTDHI-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN O=C(CC[N@H+]1CC[C@H](CN2CCOCC2)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737839885 599145726 /nfs/dbraw/zinc/14/57/26/599145726.db2.gz WITKFPULQVTDHI-HNNXBMFYSA-N 0 3 385.472 0.849 20 0 GCADHN CNC(=O)CN1CCC(Nc2c(-c3nn[nH]n3)cnc3c(C)cccc32)CC1 ZINC000736873355 599269647 /nfs/dbraw/zinc/26/96/47/599269647.db2.gz ISQNUOLQIJSIMG-UHFFFAOYSA-N 0 3 380.456 0.768 20 0 GCADHN c1ncn(-c2cccc(C[NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)c2)n1 ZINC000738410817 599277723 /nfs/dbraw/zinc/27/77/23/599277723.db2.gz QFQSBOIBVYDOMU-ZDUSSCGKSA-N 0 3 377.416 0.475 20 0 GCADHN c1ncn(-c2cccc(C[NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)c2)n1 ZINC000738410817 599277725 /nfs/dbraw/zinc/27/77/25/599277725.db2.gz QFQSBOIBVYDOMU-ZDUSSCGKSA-N 0 3 377.416 0.475 20 0 GCADHN C[NH+](C)CCn1ccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000821587398 599286452 /nfs/dbraw/zinc/28/64/52/599286452.db2.gz VOZICDVCAGXERN-UHFFFAOYSA-N 0 3 385.436 0.253 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736844483 598258992 /nfs/dbraw/zinc/25/89/92/598258992.db2.gz BTHREACCEGTXNY-OAHLLOKOSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC000736844483 598258993 /nfs/dbraw/zinc/25/89/93/598258993.db2.gz BTHREACCEGTXNY-OAHLLOKOSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@@H+]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736844483 598258994 /nfs/dbraw/zinc/25/89/94/598258994.db2.gz BTHREACCEGTXNY-OAHLLOKOSA-N 0 3 383.456 0.996 20 0 GCADHN C[N@H+]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC000736844483 598258995 /nfs/dbraw/zinc/25/89/95/598258995.db2.gz BTHREACCEGTXNY-OAHLLOKOSA-N 0 3 383.456 0.996 20 0 GCADHN C[NH+]1CCC(CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000736847565 598271552 /nfs/dbraw/zinc/27/15/52/598271552.db2.gz HPHQMDNEKVVRNI-UHFFFAOYSA-N 0 3 399.503 0.872 20 0 GCADHN C[NH+]1CCC(CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000736847565 598271554 /nfs/dbraw/zinc/27/15/54/598271554.db2.gz HPHQMDNEKVVRNI-UHFFFAOYSA-N 0 3 399.503 0.872 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CC1 ZINC000736536990 598305344 /nfs/dbraw/zinc/30/53/44/598305344.db2.gz OUYBMJFWOLVZJY-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CC1 ZINC000736536990 598305345 /nfs/dbraw/zinc/30/53/45/598305345.db2.gz OUYBMJFWOLVZJY-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@H+](CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CC1 ZINC000736536990 598305346 /nfs/dbraw/zinc/30/53/46/598305346.db2.gz OUYBMJFWOLVZJY-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN CC[N@@H+](CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CC1 ZINC000736536990 598305347 /nfs/dbraw/zinc/30/53/47/598305347.db2.gz OUYBMJFWOLVZJY-UHFFFAOYSA-N 0 3 385.476 0.578 20 0 GCADHN C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000736762944 598307313 /nfs/dbraw/zinc/30/73/13/598307313.db2.gz YEUBCTUEWWDOMW-ZDUSSCGKSA-N 0 3 377.836 0.915 20 0 GCADHN C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000736762944 598307315 /nfs/dbraw/zinc/30/73/15/598307315.db2.gz YEUBCTUEWWDOMW-ZDUSSCGKSA-N 0 3 377.836 0.915 20 0 GCADHN CCOCCN1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC000736618722 598345392 /nfs/dbraw/zinc/34/53/92/598345392.db2.gz LXERZHCNTVOUFG-RDJZCZTQSA-N 0 3 390.488 0.649 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736143913 598348076 /nfs/dbraw/zinc/34/80/76/598348076.db2.gz MFPQNMBLENRBFO-AWEZNQCLSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736143913 598348078 /nfs/dbraw/zinc/34/80/78/598348078.db2.gz MFPQNMBLENRBFO-AWEZNQCLSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736143913 598348080 /nfs/dbraw/zinc/34/80/80/598348080.db2.gz MFPQNMBLENRBFO-AWEZNQCLSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736143913 598348082 /nfs/dbraw/zinc/34/80/82/598348082.db2.gz MFPQNMBLENRBFO-AWEZNQCLSA-N 0 3 387.488 0.260 20 0 GCADHN C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736285498 598352238 /nfs/dbraw/zinc/35/22/38/598352238.db2.gz KIDPADCMKCYRNQ-WMLDXEAASA-N 0 3 389.479 0.843 20 0 GCADHN CN1CCN(C[C@@H]2CN(Cc3ccc(F)cc3-c3nn[nH]n3)CCO2)CC1 ZINC000736864563 598353409 /nfs/dbraw/zinc/35/34/09/598353409.db2.gz RZIAZKRPDQKVCW-MRXNPFEDSA-N 0 3 375.452 0.454 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736146271 598365706 /nfs/dbraw/zinc/36/57/06/598365706.db2.gz ZIJIIQPHVKPIFQ-KBXCAEBGSA-N 0 3 399.499 0.749 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736146271 598365707 /nfs/dbraw/zinc/36/57/07/598365707.db2.gz ZIJIIQPHVKPIFQ-KBXCAEBGSA-N 0 3 399.499 0.749 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736146271 598365709 /nfs/dbraw/zinc/36/57/09/598365709.db2.gz ZIJIIQPHVKPIFQ-KBXCAEBGSA-N 0 3 399.499 0.749 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736146271 598365711 /nfs/dbraw/zinc/36/57/11/598365711.db2.gz ZIJIIQPHVKPIFQ-KBXCAEBGSA-N 0 3 399.499 0.749 20 0 GCADHN O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC(Nc2cccnn2)CC1 ZINC000738384850 598365972 /nfs/dbraw/zinc/36/59/72/598365972.db2.gz FOOLGVCQRDSPEN-MRXNPFEDSA-N 0 3 396.455 0.973 20 0 GCADHN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC(Nc2cccnn2)CC1 ZINC000738384848 598366169 /nfs/dbraw/zinc/36/61/69/598366169.db2.gz FOOLGVCQRDSPEN-INIZCTEOSA-N 0 3 396.455 0.973 20 0 GCADHN COC(=O)[C@H](C)C[N@H+](C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736895586 598372333 /nfs/dbraw/zinc/37/23/33/598372333.db2.gz YPFQBXFNVBCMEW-IUODEOHRSA-N 0 3 375.429 0.880 20 0 GCADHN COC(=O)[C@H](C)C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736895586 598372335 /nfs/dbraw/zinc/37/23/35/598372335.db2.gz YPFQBXFNVBCMEW-IUODEOHRSA-N 0 3 375.429 0.880 20 0 GCADHN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736143507 598375261 /nfs/dbraw/zinc/37/52/61/598375261.db2.gz KAQRGBIZWIGWQK-NSHDSACASA-N 0 3 398.464 0.472 20 0 GCADHN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736143507 598375263 /nfs/dbraw/zinc/37/52/63/598375263.db2.gz KAQRGBIZWIGWQK-NSHDSACASA-N 0 3 398.464 0.472 20 0 GCADHN CC(C)(CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCCCC1 ZINC000735665026 598397972 /nfs/dbraw/zinc/39/79/72/598397972.db2.gz ACTVXHPRPKXNDT-UHFFFAOYSA-N 0 3 385.472 0.977 20 0 GCADHN CC(C)(CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCCCC1 ZINC000735665026 598397974 /nfs/dbraw/zinc/39/79/74/598397974.db2.gz ACTVXHPRPKXNDT-UHFFFAOYSA-N 0 3 385.472 0.977 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000736263966 598402725 /nfs/dbraw/zinc/40/27/25/598402725.db2.gz AFCWQDAUKKEKMA-UONOGXRCSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000736263966 598402726 /nfs/dbraw/zinc/40/27/26/598402726.db2.gz AFCWQDAUKKEKMA-UONOGXRCSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000736263966 598402727 /nfs/dbraw/zinc/40/27/27/598402727.db2.gz AFCWQDAUKKEKMA-UONOGXRCSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000736263966 598402728 /nfs/dbraw/zinc/40/27/28/598402728.db2.gz AFCWQDAUKKEKMA-UONOGXRCSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C[NH+]1CCCCC1 ZINC000736014340 598402993 /nfs/dbraw/zinc/40/29/93/598402993.db2.gz LYIVBOPBPJVZGL-AWEZNQCLSA-N 0 3 385.472 0.835 20 0 GCADHN C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C[NH+]1CCCCC1 ZINC000736014340 598402995 /nfs/dbraw/zinc/40/29/95/598402995.db2.gz LYIVBOPBPJVZGL-AWEZNQCLSA-N 0 3 385.472 0.835 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736263967 598403013 /nfs/dbraw/zinc/40/30/13/598403013.db2.gz AFCWQDAUKKEKMA-ZIAGYGMSSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000736263967 598403015 /nfs/dbraw/zinc/40/30/15/598403015.db2.gz AFCWQDAUKKEKMA-ZIAGYGMSSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000736263967 598403017 /nfs/dbraw/zinc/40/30/17/598403017.db2.gz AFCWQDAUKKEKMA-ZIAGYGMSSA-N 0 3 385.472 0.833 20 0 GCADHN C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000736263967 598403019 /nfs/dbraw/zinc/40/30/19/598403019.db2.gz AFCWQDAUKKEKMA-ZIAGYGMSSA-N 0 3 385.472 0.833 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737766062 598427858 /nfs/dbraw/zinc/42/78/58/598427858.db2.gz SEWQZPXZMWFVRS-LBPRGKRZSA-N 0 3 390.473 0.125 20 0 GCADHN NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)C1 ZINC000737766062 598427860 /nfs/dbraw/zinc/42/78/60/598427860.db2.gz SEWQZPXZMWFVRS-LBPRGKRZSA-N 0 3 390.473 0.125 20 0 GCADHN CCC[NH+]1CCC(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000736479892 598429886 /nfs/dbraw/zinc/42/98/86/598429886.db2.gz LSHYMLQDRXJSAM-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN CCC[NH+]1CCC(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000736479892 598429888 /nfs/dbraw/zinc/42/98/88/598429888.db2.gz LSHYMLQDRXJSAM-UHFFFAOYSA-N 0 3 399.503 0.968 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000737775597 598435300 /nfs/dbraw/zinc/43/53/00/598435300.db2.gz CYTBBGKQFOJKMY-HZPDHXFCSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000737775597 598435302 /nfs/dbraw/zinc/43/53/02/598435302.db2.gz CYTBBGKQFOJKMY-HZPDHXFCSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000737775597 598435304 /nfs/dbraw/zinc/43/53/04/598435304.db2.gz CYTBBGKQFOJKMY-HZPDHXFCSA-N 0 3 393.455 0.991 20 0 GCADHN Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000737775597 598435306 /nfs/dbraw/zinc/43/53/06/598435306.db2.gz CYTBBGKQFOJKMY-HZPDHXFCSA-N 0 3 393.455 0.991 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736858832 598497499 /nfs/dbraw/zinc/49/74/99/598497499.db2.gz UYJNFYWQDRGQLV-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736858832 598497501 /nfs/dbraw/zinc/49/75/01/598497501.db2.gz UYJNFYWQDRGQLV-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736858832 598497503 /nfs/dbraw/zinc/49/75/03/598497503.db2.gz UYJNFYWQDRGQLV-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736858832 598497504 /nfs/dbraw/zinc/49/75/04/598497504.db2.gz UYJNFYWQDRGQLV-LBPRGKRZSA-N 0 3 381.444 0.706 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000736857589 598516264 /nfs/dbraw/zinc/51/62/64/598516264.db2.gz OWRZJSLNLNHMIR-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000736857589 598516266 /nfs/dbraw/zinc/51/62/66/598516266.db2.gz OWRZJSLNLNHMIR-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000736857589 598516267 /nfs/dbraw/zinc/51/62/67/598516267.db2.gz OWRZJSLNLNHMIR-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN C[N@H+]1CCC[C@H](CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000736857589 598516269 /nfs/dbraw/zinc/51/62/69/598516269.db2.gz OWRZJSLNLNHMIR-CQSZACIVSA-N 0 3 385.476 0.435 20 0 GCADHN C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C[C@H](C)O1 ZINC000736292200 598519936 /nfs/dbraw/zinc/51/99/36/598519936.db2.gz NVUQRPYTQPOBJE-HZSPNIEDSA-N 0 3 389.508 0.582 20 0 GCADHN C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C[C@H](C)O1 ZINC000736292200 598519937 /nfs/dbraw/zinc/51/99/37/598519937.db2.gz NVUQRPYTQPOBJE-HZSPNIEDSA-N 0 3 389.508 0.582 20 0 GCADHN CCOC(=O)N1CCC([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000736600261 598519981 /nfs/dbraw/zinc/51/99/81/598519981.db2.gz SBFHMBOCUCTXOJ-LLVKDONJSA-N 0 3 375.437 0.315 20 0 GCADHN CCOC(=O)N1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000736600261 598519982 /nfs/dbraw/zinc/51/99/82/598519982.db2.gz SBFHMBOCUCTXOJ-LLVKDONJSA-N 0 3 375.437 0.315 20 0 GCADHN COCC(=O)Nc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736966040 598520157 /nfs/dbraw/zinc/52/01/57/598520157.db2.gz JVDUZLUYEKPROB-CYBMUJFWSA-N 0 3 397.443 0.480 20 0 GCADHN COCC(=O)Nc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736966040 598520159 /nfs/dbraw/zinc/52/01/59/598520159.db2.gz JVDUZLUYEKPROB-CYBMUJFWSA-N 0 3 397.443 0.480 20 0 GCADHN CCNC(=O)c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736575847 598522912 /nfs/dbraw/zinc/52/29/12/598522912.db2.gz KXXATNYHTIGJNR-ZDUSSCGKSA-N 0 3 381.444 0.644 20 0 GCADHN CCNC(=O)c1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736575847 598522914 /nfs/dbraw/zinc/52/29/14/598522914.db2.gz KXXATNYHTIGJNR-ZDUSSCGKSA-N 0 3 381.444 0.644 20 0 GCADHN CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736827661 598522984 /nfs/dbraw/zinc/52/29/84/598522984.db2.gz FZYWSQICUVTHTR-AWEZNQCLSA-N 0 3 381.444 0.353 20 0 GCADHN CCNC(=O)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736575845 598523245 /nfs/dbraw/zinc/52/32/45/598523245.db2.gz KXXATNYHTIGJNR-CYBMUJFWSA-N 0 3 381.444 0.644 20 0 GCADHN CCNC(=O)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736575845 598523247 /nfs/dbraw/zinc/52/32/47/598523247.db2.gz KXXATNYHTIGJNR-CYBMUJFWSA-N 0 3 381.444 0.644 20 0 GCADHN CNC(=O)COc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736875471 598523418 /nfs/dbraw/zinc/52/34/18/598523418.db2.gz XTDKJOFJZDQQIL-CYBMUJFWSA-N 0 3 397.443 0.020 20 0 GCADHN CNC(=O)COc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736875471 598523420 /nfs/dbraw/zinc/52/34/20/598523420.db2.gz XTDKJOFJZDQQIL-CYBMUJFWSA-N 0 3 397.443 0.020 20 0 GCADHN CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736762705 598524244 /nfs/dbraw/zinc/52/42/44/598524244.db2.gz JVRSJCIWCNKKIR-HZPDHXFCSA-N 0 3 381.488 0.867 20 0 GCADHN CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736762705 598524246 /nfs/dbraw/zinc/52/42/46/598524246.db2.gz JVRSJCIWCNKKIR-HZPDHXFCSA-N 0 3 381.488 0.867 20 0 GCADHN CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737174596 598526171 /nfs/dbraw/zinc/52/61/71/598526171.db2.gz ZUTKAGLPQLSOAP-GFCCVEGCSA-N 0 3 388.457 0.298 20 0 GCADHN CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737174596 598526173 /nfs/dbraw/zinc/52/61/73/598526173.db2.gz ZUTKAGLPQLSOAP-GFCCVEGCSA-N 0 3 388.457 0.298 20 0 GCADHN COc1cccc(C(=O)NCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000737120851 598526494 /nfs/dbraw/zinc/52/64/94/598526494.db2.gz HRHIGWKZPCUWPO-LBPRGKRZSA-N 0 3 397.443 0.133 20 0 GCADHN COc1cccc(C(=O)NCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000737120851 598526495 /nfs/dbraw/zinc/52/64/95/598526495.db2.gz HRHIGWKZPCUWPO-LBPRGKRZSA-N 0 3 397.443 0.133 20 0 GCADHN O=C1C[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CN1c1ccccc1 ZINC000738302185 598526864 /nfs/dbraw/zinc/52/68/64/598526864.db2.gz VHBYZTIWXZWXMP-CHWSQXEVSA-N 0 3 379.428 0.500 20 0 GCADHN O=C1C[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CN1c1ccccc1 ZINC000738302185 598526866 /nfs/dbraw/zinc/52/68/66/598526866.db2.gz VHBYZTIWXZWXMP-CHWSQXEVSA-N 0 3 379.428 0.500 20 0 GCADHN O=C1[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CCN1Cc1ccccc1 ZINC000738288113 598528344 /nfs/dbraw/zinc/52/83/44/598528344.db2.gz AQPMEKNGOGVQHN-ZBFHGGJFSA-N 0 3 393.455 0.496 20 0 GCADHN O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737967986 598528404 /nfs/dbraw/zinc/52/84/04/598528404.db2.gz CALHSSVYJXCVGW-ZDUSSCGKSA-N 0 3 399.434 0.193 20 0 GCADHN O=C(Cc1cccc(F)c1)NCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737967986 598528406 /nfs/dbraw/zinc/52/84/06/598528406.db2.gz CALHSSVYJXCVGW-ZDUSSCGKSA-N 0 3 399.434 0.193 20 0 GCADHN O=C(NCCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)c1cccc(O)c1 ZINC000738067143 598529947 /nfs/dbraw/zinc/52/99/47/598529947.db2.gz ZWUWBEOTMURJIU-LBPRGKRZSA-N 0 3 397.443 0.220 20 0 GCADHN O=C(NCCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)c1cccc(O)c1 ZINC000738067143 598529948 /nfs/dbraw/zinc/52/99/48/598529948.db2.gz ZWUWBEOTMURJIU-LBPRGKRZSA-N 0 3 397.443 0.220 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CCCc1nnc3n1CCCCC3)C2 ZINC000738450113 598530146 /nfs/dbraw/zinc/53/01/46/598530146.db2.gz OMWHNHJINXJFAF-ZDUSSCGKSA-N 0 3 397.491 0.645 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CCCc1nnc3n1CCCCC3)C2 ZINC000738450113 598530148 /nfs/dbraw/zinc/53/01/48/598530148.db2.gz OMWHNHJINXJFAF-ZDUSSCGKSA-N 0 3 397.491 0.645 20 0 GCADHN CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nnn[n-]4)cnn3C1)CC2 ZINC000735942026 598530540 /nfs/dbraw/zinc/53/05/40/598530540.db2.gz AUVQYPQBQWVUFM-NEPJUHHUSA-N 0 3 383.464 0.424 20 0 GCADHN CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nn[n-]n4)cnn3C1)CC2 ZINC000735942026 598530541 /nfs/dbraw/zinc/53/05/41/598530541.db2.gz AUVQYPQBQWVUFM-NEPJUHHUSA-N 0 3 383.464 0.424 20 0 GCADHN O=C(C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)N1CCc2ccccc21 ZINC000737895252 598531482 /nfs/dbraw/zinc/53/14/82/598531482.db2.gz NVGYOQAMPHRRQE-GFCCVEGCSA-N 0 3 379.428 0.284 20 0 GCADHN C[NH+](C)[C@@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736757727 598607781 /nfs/dbraw/zinc/60/77/81/598607781.db2.gz XGYAOWKWUIFUDX-OAHLLOKOSA-N 0 3 385.476 0.576 20 0 GCADHN C[NH+](C)[C@@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736757727 598607782 /nfs/dbraw/zinc/60/77/82/598607782.db2.gz XGYAOWKWUIFUDX-OAHLLOKOSA-N 0 3 385.476 0.576 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736859097 598618409 /nfs/dbraw/zinc/61/84/09/598618409.db2.gz DRHXTJOYNXHKRQ-SFHVURJKSA-N 0 3 398.515 0.907 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736859097 598618410 /nfs/dbraw/zinc/61/84/10/598618410.db2.gz DRHXTJOYNXHKRQ-SFHVURJKSA-N 0 3 398.515 0.907 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736859097 598618412 /nfs/dbraw/zinc/61/84/12/598618412.db2.gz DRHXTJOYNXHKRQ-SFHVURJKSA-N 0 3 398.515 0.907 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736859097 598618414 /nfs/dbraw/zinc/61/84/14/598618414.db2.gz DRHXTJOYNXHKRQ-SFHVURJKSA-N 0 3 398.515 0.907 20 0 GCADHN O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738074271 598638004 /nfs/dbraw/zinc/63/80/04/598638004.db2.gz BKHYBFIQTDFCRL-UHFFFAOYSA-N 0 3 375.408 0.937 20 0 GCADHN CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736481076 598638668 /nfs/dbraw/zinc/63/86/68/598638668.db2.gz SNWFLOAIFVNPTK-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736481076 598638670 /nfs/dbraw/zinc/63/86/70/598638670.db2.gz SNWFLOAIFVNPTK-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736481076 598638672 /nfs/dbraw/zinc/63/86/72/598638672.db2.gz SNWFLOAIFVNPTK-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736481076 598638673 /nfs/dbraw/zinc/63/86/73/598638673.db2.gz SNWFLOAIFVNPTK-LLVKDONJSA-N 0 3 375.408 0.792 20 0 GCADHN O=C(CC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)N1CCOCC1 ZINC000737836650 598765659 /nfs/dbraw/zinc/76/56/59/598765659.db2.gz DGLUKMQMZXKSFB-UHFFFAOYSA-N 0 3 386.456 0.959 20 0 GCADHN C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736769883 598767594 /nfs/dbraw/zinc/76/75/94/598767594.db2.gz VVMPOQAQELGPNR-UHFFFAOYSA-N 0 3 394.439 0.483 20 0 GCADHN C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736769883 598767595 /nfs/dbraw/zinc/76/75/95/598767595.db2.gz VVMPOQAQELGPNR-UHFFFAOYSA-N 0 3 394.439 0.483 20 0 GCADHN CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736849349 598784879 /nfs/dbraw/zinc/78/48/79/598784879.db2.gz SHEJAOLQBKMSKE-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736849349 598784880 /nfs/dbraw/zinc/78/48/80/598784880.db2.gz SHEJAOLQBKMSKE-UHFFFAOYSA-N 0 3 375.408 0.745 20 0 GCADHN C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736130627 598787001 /nfs/dbraw/zinc/78/70/01/598787001.db2.gz HUVQWGIPBWHCPP-NXEZZACHSA-N 0 3 399.484 0.940 20 0 GCADHN C[NH+](C)CC(C)(C)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736765572 598815634 /nfs/dbraw/zinc/81/56/34/598815634.db2.gz YEWXGCGLBMRKAA-UHFFFAOYSA-N 0 3 383.460 0.952 20 0 GCADHN C[NH+](C)CC(C)(C)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736765572 598815635 /nfs/dbraw/zinc/81/56/35/598815635.db2.gz YEWXGCGLBMRKAA-UHFFFAOYSA-N 0 3 383.460 0.952 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](CCOc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C)CC1 ZINC000735464660 599297897 /nfs/dbraw/zinc/29/78/97/599297897.db2.gz CQATYKYVWWDJGM-HNAYVOBHSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](CCOc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C)CC1 ZINC000735464660 599297898 /nfs/dbraw/zinc/29/78/98/599297898.db2.gz CQATYKYVWWDJGM-HNAYVOBHSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](CCOc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C)CC1 ZINC000735464660 599297900 /nfs/dbraw/zinc/29/79/00/599297900.db2.gz CQATYKYVWWDJGM-HNAYVOBHSA-N 0 3 399.499 0.730 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](CCOc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C)CC1 ZINC000735464660 599297902 /nfs/dbraw/zinc/29/79/02/599297902.db2.gz CQATYKYVWWDJGM-HNAYVOBHSA-N 0 3 399.499 0.730 20 0 GCADHN CCN1CCO[C@H](C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736570293 599318818 /nfs/dbraw/zinc/31/88/18/599318818.db2.gz XRSKDNUGTGGHNL-SFHVURJKSA-N 0 3 399.499 0.622 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000736636210 599359204 /nfs/dbraw/zinc/35/92/04/599359204.db2.gz PJNDEROPNRWNMG-LBPRGKRZSA-N 0 3 387.444 0.662 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000736636210 599359208 /nfs/dbraw/zinc/35/92/08/599359208.db2.gz PJNDEROPNRWNMG-LBPRGKRZSA-N 0 3 387.444 0.662 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000736856761 599359661 /nfs/dbraw/zinc/35/96/61/599359661.db2.gz MYNJPPHOIYWAPH-JTQLQIEISA-N 0 3 377.836 0.917 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000736856761 599359664 /nfs/dbraw/zinc/35/96/64/599359664.db2.gz MYNJPPHOIYWAPH-JTQLQIEISA-N 0 3 377.836 0.917 20 0 GCADHN C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000736856761 599359666 /nfs/dbraw/zinc/35/96/66/599359666.db2.gz MYNJPPHOIYWAPH-JTQLQIEISA-N 0 3 377.836 0.917 20 0 GCADHN C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000736856761 599359669 /nfs/dbraw/zinc/35/96/69/599359669.db2.gz MYNJPPHOIYWAPH-JTQLQIEISA-N 0 3 377.836 0.917 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823162098 599387544 /nfs/dbraw/zinc/38/75/44/599387544.db2.gz SXSJGONHTNYTJJ-AWEZNQCLSA-N 0 3 383.456 0.541 20 0 GCADHN O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823162098 599387546 /nfs/dbraw/zinc/38/75/46/599387546.db2.gz SXSJGONHTNYTJJ-AWEZNQCLSA-N 0 3 383.456 0.541 20 0 GCADHN COc1ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000821808111 599434048 /nfs/dbraw/zinc/43/40/48/599434048.db2.gz AKCOVUNBZPESLA-UHFFFAOYSA-N 0 3 394.501 0.474 20 0 GCADHN COc1ccc(C[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000821808111 599434051 /nfs/dbraw/zinc/43/40/51/599434051.db2.gz AKCOVUNBZPESLA-UHFFFAOYSA-N 0 3 394.501 0.474 20 0 GCADHN Cc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2=O)cc1 ZINC000822241024 599448060 /nfs/dbraw/zinc/44/80/60/599448060.db2.gz JBGAZCJXEDWPKF-CZUORRHYSA-N 0 3 393.455 0.808 20 0 GCADHN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000737738564 599448584 /nfs/dbraw/zinc/44/85/84/599448584.db2.gz KCOCQKXBTIKVRK-KRWDZBQOSA-N 0 3 385.472 0.437 20 0 GCADHN Cn1cc(N2CCC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)C2)cn1 ZINC000822679945 599450174 /nfs/dbraw/zinc/45/01/74/599450174.db2.gz KKTSPWFZQSQJJL-OLZOCXBDSA-N 0 3 383.464 0.097 20 0 GCADHN Cn1cc(N2CCC[C@H]([NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2)cn1 ZINC000822679945 599450175 /nfs/dbraw/zinc/45/01/75/599450175.db2.gz KKTSPWFZQSQJJL-OLZOCXBDSA-N 0 3 383.464 0.097 20 0 GCADHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C(=O)N1c1ccccc1 ZINC000820656881 599453886 /nfs/dbraw/zinc/45/38/86/599453886.db2.gz HZDNJIWSSTYDLY-IOASZLSFSA-N 0 3 393.455 0.889 20 0 GCADHN C[NH+](C)C1(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC000736756803 599480427 /nfs/dbraw/zinc/48/04/27/599480427.db2.gz MCHTVTPDFCGCDU-UHFFFAOYSA-N 0 3 384.437 0.395 20 0 GCADHN CCS(=O)(=O)N(C)CCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736659785 599485292 /nfs/dbraw/zinc/48/52/92/599485292.db2.gz WEOUXPHFFLHUDF-UHFFFAOYSA-N 0 3 378.462 0.276 20 0 GCADHN CCS(=O)(=O)N(C)CCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736659785 599485293 /nfs/dbraw/zinc/48/52/93/599485293.db2.gz WEOUXPHFFLHUDF-UHFFFAOYSA-N 0 3 378.462 0.276 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738020781 599493123 /nfs/dbraw/zinc/49/31/23/599493123.db2.gz ANCCNUMFFMQCHU-INIZCTEOSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738020781 599493125 /nfs/dbraw/zinc/49/31/25/599493125.db2.gz ANCCNUMFFMQCHU-INIZCTEOSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738020781 599493128 /nfs/dbraw/zinc/49/31/28/599493128.db2.gz ANCCNUMFFMQCHU-INIZCTEOSA-N 0 3 397.487 0.578 20 0 GCADHN O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738020781 599493131 /nfs/dbraw/zinc/49/31/31/599493131.db2.gz ANCCNUMFFMQCHU-INIZCTEOSA-N 0 3 397.487 0.578 20 0 GCADHN CC[C@@H](CO)[NH2+]CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1CCCOC ZINC000736355163 599517673 /nfs/dbraw/zinc/51/76/73/599517673.db2.gz YOAGQNJZDHMCOY-ZDUSSCGKSA-N 0 3 379.465 0.621 20 0 GCADHN CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821088125 599546370 /nfs/dbraw/zinc/54/63/70/599546370.db2.gz JWKLTTWKKCICQY-AWEZNQCLSA-N 0 3 385.472 0.787 20 0 GCADHN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821088125 599546373 /nfs/dbraw/zinc/54/63/73/599546373.db2.gz JWKLTTWKKCICQY-AWEZNQCLSA-N 0 3 385.472 0.787 20 0 GCADHN CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821088125 599546375 /nfs/dbraw/zinc/54/63/75/599546375.db2.gz JWKLTTWKKCICQY-AWEZNQCLSA-N 0 3 385.472 0.787 20 0 GCADHN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821088125 599546376 /nfs/dbraw/zinc/54/63/76/599546376.db2.gz JWKLTTWKKCICQY-AWEZNQCLSA-N 0 3 385.472 0.787 20 0 GCADHN Cc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1-c1nnn[n-]1 ZINC000822312373 599600233 /nfs/dbraw/zinc/60/02/33/599600233.db2.gz FKGCFEIBVWPWFD-UHFFFAOYSA-N 0 3 392.423 0.857 20 0 GCADHN Cc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1-c1nn[n-]n1 ZINC000822312373 599600234 /nfs/dbraw/zinc/60/02/34/599600234.db2.gz FKGCFEIBVWPWFD-UHFFFAOYSA-N 0 3 392.423 0.857 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000821400582 599610070 /nfs/dbraw/zinc/61/00/70/599610070.db2.gz LVCFLJVCVKGUSS-WCQYABFASA-N 0 3 387.444 0.803 20 0 GCADHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000821400582 599610071 /nfs/dbraw/zinc/61/00/71/599610071.db2.gz LVCFLJVCVKGUSS-WCQYABFASA-N 0 3 387.444 0.803 20 0 GCADHN O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823308793 599613665 /nfs/dbraw/zinc/61/36/65/599613665.db2.gz JQLXTGCTBLEZGK-INIZCTEOSA-N 0 3 399.455 0.565 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000822963954 599643195 /nfs/dbraw/zinc/64/31/95/599643195.db2.gz BMKSVTLSYAAYBO-HNNXBMFYSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000822963954 599643196 /nfs/dbraw/zinc/64/31/96/599643196.db2.gz BMKSVTLSYAAYBO-HNNXBMFYSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000822963954 599643197 /nfs/dbraw/zinc/64/31/97/599643197.db2.gz BMKSVTLSYAAYBO-HNNXBMFYSA-N 0 3 385.472 0.992 20 0 GCADHN O=C(CC[N@H+]1CCC[C@H]1CN1CCOCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000822963954 599643198 /nfs/dbraw/zinc/64/31/98/599643198.db2.gz BMKSVTLSYAAYBO-HNNXBMFYSA-N 0 3 385.472 0.992 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC[N@@H+]1C ZINC000820659490 599676181 /nfs/dbraw/zinc/67/61/81/599676181.db2.gz YDFGMLQPJRBFPF-KBPBESRZSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC[N@H+]1C ZINC000820659490 599676182 /nfs/dbraw/zinc/67/61/82/599676182.db2.gz YDFGMLQPJRBFPF-KBPBESRZSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC[N@@H+]1C ZINC000820659490 599676183 /nfs/dbraw/zinc/67/61/83/599676183.db2.gz YDFGMLQPJRBFPF-KBPBESRZSA-N 0 3 385.476 0.576 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC[N@H+]1C ZINC000820659490 599676184 /nfs/dbraw/zinc/67/61/84/599676184.db2.gz YDFGMLQPJRBFPF-KBPBESRZSA-N 0 3 385.476 0.576 20 0 GCADHN C[NH+](C)C[C@@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000821584384 607449568 /nfs/dbraw/zinc/44/95/68/607449568.db2.gz BCRWXERHCBPSSN-GFCCVEGCSA-N 0 3 379.852 0.721 20 0 GCADHN CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000825517552 607474810 /nfs/dbraw/zinc/47/48/10/607474810.db2.gz FHJXAVBHLXNGBT-UHFFFAOYSA-N 0 3 390.419 0.897 20 0 GCADHN COc1ccc(C[N@H+]2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000826193741 607508394 /nfs/dbraw/zinc/50/83/94/607508394.db2.gz NMLYKYQYPACATC-KSSFIOAISA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000826193741 607508396 /nfs/dbraw/zinc/50/83/96/607508396.db2.gz NMLYKYQYPACATC-KSSFIOAISA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@H+]2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000826193741 607508397 /nfs/dbraw/zinc/50/83/97/607508397.db2.gz NMLYKYQYPACATC-KSSFIOAISA-N 0 3 399.499 0.860 20 0 GCADHN COc1ccc(C[N@@H+]2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000826193741 607508398 /nfs/dbraw/zinc/50/83/98/607508398.db2.gz NMLYKYQYPACATC-KSSFIOAISA-N 0 3 399.499 0.860 20 0 GCADHN C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824470224 607515135 /nfs/dbraw/zinc/51/51/35/607515135.db2.gz GLYSJEYUAIVDKI-LBPRGKRZSA-N 0 3 397.443 0.441 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825848443 607524794 /nfs/dbraw/zinc/52/47/94/607524794.db2.gz CTLVKWPJJMYPLS-BRWVUGGUSA-N 0 3 385.472 0.989 20 0 GCADHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825848443 607524796 /nfs/dbraw/zinc/52/47/96/607524796.db2.gz CTLVKWPJJMYPLS-BRWVUGGUSA-N 0 3 385.472 0.989 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826301345 607535768 /nfs/dbraw/zinc/53/57/68/607535768.db2.gz BKCWTLYXBQCXBY-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826301345 607535769 /nfs/dbraw/zinc/53/57/69/607535769.db2.gz BKCWTLYXBQCXBY-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826301345 607535771 /nfs/dbraw/zinc/53/57/71/607535771.db2.gz BKCWTLYXBQCXBY-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN Cc1cccc(S(=O)(=O)N2CCC([N@H+](C)C[C@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826301345 607535773 /nfs/dbraw/zinc/53/57/73/607535773.db2.gz BKCWTLYXBQCXBY-ZDUSSCGKSA-N 0 3 394.501 0.641 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nnn[n-]2)cc1 ZINC000826490970 607634440 /nfs/dbraw/zinc/63/44/40/607634440.db2.gz OSQPRFADRJLUIW-CQSZACIVSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nnn[n-]2)cc1 ZINC000826490970 607634442 /nfs/dbraw/zinc/63/44/42/607634442.db2.gz OSQPRFADRJLUIW-CQSZACIVSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[n-]n2)cc1 ZINC000826490970 607634444 /nfs/dbraw/zinc/63/44/44/607634444.db2.gz OSQPRFADRJLUIW-CQSZACIVSA-N 0 3 380.474 0.382 20 0 GCADHN O=S(=O)(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[n-]n2)cc1 ZINC000826490970 607634446 /nfs/dbraw/zinc/63/44/46/607634446.db2.gz OSQPRFADRJLUIW-CQSZACIVSA-N 0 3 380.474 0.382 20 0 GCADHN Cc1cccc(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1-c1nnn[n-]1 ZINC000826302513 607672530 /nfs/dbraw/zinc/67/25/30/607672530.db2.gz LQMRMKXUMCLPJV-UHFFFAOYSA-N 0 3 394.501 0.689 20 0 GCADHN Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000826244265 607689606 /nfs/dbraw/zinc/68/96/06/607689606.db2.gz MBZVAXYBNGAQMJ-UHFFFAOYSA-N 0 3 385.472 0.705 20 0 GCADHN O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823202542 606058321 /nfs/dbraw/zinc/05/83/21/606058321.db2.gz WKUIOFAMJBEPGW-AWEZNQCLSA-N 0 3 385.476 0.801 20 0 GCADHN O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823202542 606058329 /nfs/dbraw/zinc/05/83/29/606058329.db2.gz WKUIOFAMJBEPGW-AWEZNQCLSA-N 0 3 385.476 0.801 20 0 GCADHN C[C@]1(C2CC[NH+](Cc3cn4ccccc4c3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613251 606096252 /nfs/dbraw/zinc/09/62/52/606096252.db2.gz XSLUPZVQKBSSME-LJQANCHMSA-N 0 3 394.439 0.930 20 0 GCADHN C[C@]1(C2CC[NH+](Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820613251 606096255 /nfs/dbraw/zinc/09/62/55/606096255.db2.gz XSLUPZVQKBSSME-LJQANCHMSA-N 0 3 394.439 0.930 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000821189758 606144580 /nfs/dbraw/zinc/14/45/80/606144580.db2.gz SKDJHEYRUHZFNV-CQSZACIVSA-N 0 3 394.501 0.988 20 0 GCADHN CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000821189758 606144582 /nfs/dbraw/zinc/14/45/82/606144582.db2.gz SKDJHEYRUHZFNV-CQSZACIVSA-N 0 3 394.501 0.988 20 0 GCADHN O=C(COC(=O)Cc1cccc(-c2nn[n-]n2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000823022901 606145444 /nfs/dbraw/zinc/14/54/44/606145444.db2.gz PIRJSBOUDSQYRP-UHFFFAOYSA-N 0 3 384.440 0.695 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1-c1nnn[n-]1 ZINC000821808420 606225306 /nfs/dbraw/zinc/22/53/06/606225306.db2.gz GKWJBACLUMMQTO-KZULUSFZSA-N 0 3 385.428 0.685 20 0 GCADHN COc1ccc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1-c1nn[n-]n1 ZINC000821808420 606225308 /nfs/dbraw/zinc/22/53/08/606225308.db2.gz GKWJBACLUMMQTO-KZULUSFZSA-N 0 3 385.428 0.685 20 0 GCADHN CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1=O ZINC000821620875 606225436 /nfs/dbraw/zinc/22/54/36/606225436.db2.gz YSAWWHSZNWCJPU-SGTLLEGYSA-N 0 3 395.427 0.325 20 0 GCADHN CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1=O ZINC000821620875 606225437 /nfs/dbraw/zinc/22/54/37/606225437.db2.gz YSAWWHSZNWCJPU-SGTLLEGYSA-N 0 3 395.427 0.325 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000822636501 606294796 /nfs/dbraw/zinc/29/47/96/606294796.db2.gz GMFDTFJCPFHXJS-IBGZPJMESA-N 0 3 381.440 0.572 20 0 GCADHN Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000822636501 606294799 /nfs/dbraw/zinc/29/47/99/606294799.db2.gz GMFDTFJCPFHXJS-IBGZPJMESA-N 0 3 381.440 0.572 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820481504 606297537 /nfs/dbraw/zinc/29/75/37/606297537.db2.gz WPLWADOAJJOXOB-AWEZNQCLSA-N 0 3 388.472 0.797 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820481504 606297538 /nfs/dbraw/zinc/29/75/38/606297538.db2.gz WPLWADOAJJOXOB-AWEZNQCLSA-N 0 3 388.472 0.797 20 0 GCADHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)CC2 ZINC000822463440 606307597 /nfs/dbraw/zinc/30/75/97/606307597.db2.gz RXYNUSHAFVNIJY-JQWIXIFHSA-N 0 3 385.457 0.538 20 0 GCADHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)CC2 ZINC000822463440 606307599 /nfs/dbraw/zinc/30/75/99/606307599.db2.gz RXYNUSHAFVNIJY-JQWIXIFHSA-N 0 3 385.457 0.538 20 0 GCADHN C[NH+](C)C[C@H]1CN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CCO1 ZINC000821584741 606320246 /nfs/dbraw/zinc/32/02/46/606320246.db2.gz QRUFGUAVPCDUHH-WCQYABFASA-N 0 3 377.474 0.296 20 0 GCADHN COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821690418 606398459 /nfs/dbraw/zinc/39/84/59/606398459.db2.gz KXHYIYSZFXZFJO-UHFFFAOYSA-N 0 3 391.407 0.171 20 0 GCADHN COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821690418 606398461 /nfs/dbraw/zinc/39/84/61/606398461.db2.gz KXHYIYSZFXZFJO-UHFFFAOYSA-N 0 3 391.407 0.171 20 0 GCADHN CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821109751 606402754 /nfs/dbraw/zinc/40/27/54/606402754.db2.gz OBHGCOFUMXFFLD-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821109751 606402756 /nfs/dbraw/zinc/40/27/56/606402756.db2.gz OBHGCOFUMXFFLD-UHFFFAOYSA-N 0 3 375.408 0.935 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821581745 606405473 /nfs/dbraw/zinc/40/54/73/606405473.db2.gz UNDXSIORUQIGQT-VXGBXAGGSA-N 0 3 375.408 0.933 20 0 GCADHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821581745 606405474 /nfs/dbraw/zinc/40/54/74/606405474.db2.gz UNDXSIORUQIGQT-VXGBXAGGSA-N 0 3 375.408 0.933 20 0 GCADHN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000821253101 606586120 /nfs/dbraw/zinc/58/61/20/606586120.db2.gz CTQHSHPSHQZNIY-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000821253101 606586123 /nfs/dbraw/zinc/58/61/23/606586123.db2.gz CTQHSHPSHQZNIY-CABCVRRESA-N 0 3 385.476 0.942 20 0 GCADHN C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000821583324 606609979 /nfs/dbraw/zinc/60/99/79/606609979.db2.gz RCKWCDOXUUCWEL-LLVKDONJSA-N 0 3 393.835 0.248 20 0 GCADHN CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821239756 606678941 /nfs/dbraw/zinc/67/89/41/606678941.db2.gz CRVVVEPOFUOHAO-DZGCQCFKSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821239756 606678942 /nfs/dbraw/zinc/67/89/42/606678942.db2.gz CRVVVEPOFUOHAO-DZGCQCFKSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821239759 606679109 /nfs/dbraw/zinc/67/91/09/606679109.db2.gz CRVVVEPOFUOHAO-HIFRSBDPSA-N 0 3 385.476 0.434 20 0 GCADHN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821239759 606679110 /nfs/dbraw/zinc/67/91/10/606679110.db2.gz CRVVVEPOFUOHAO-HIFRSBDPSA-N 0 3 385.476 0.434 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000820541858 606750349 /nfs/dbraw/zinc/75/03/49/606750349.db2.gz JKBOWRKOEGUHEW-CQSZACIVSA-N 0 3 388.472 0.986 20 0 GCADHN CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000820541858 606750351 /nfs/dbraw/zinc/75/03/51/606750351.db2.gz JKBOWRKOEGUHEW-CQSZACIVSA-N 0 3 388.472 0.986 20 0 GCADHN C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C[C@@H]1[NH+](C)C ZINC000820761002 606769235 /nfs/dbraw/zinc/76/92/35/606769235.db2.gz VIUBOKONKKNEOS-CJNGLKHVSA-N 0 3 398.471 0.470 20 0 GCADHN C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C[C@@H]1[NH+](C)C ZINC000820761002 606769236 /nfs/dbraw/zinc/76/92/36/606769236.db2.gz VIUBOKONKKNEOS-CJNGLKHVSA-N 0 3 398.471 0.470 20 0 GCADHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000820753315 606810446 /nfs/dbraw/zinc/81/04/46/606810446.db2.gz XXODHZAHAQSDRS-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000820753315 606810447 /nfs/dbraw/zinc/81/04/47/606810447.db2.gz XXODHZAHAQSDRS-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000820753315 606810448 /nfs/dbraw/zinc/81/04/48/606810448.db2.gz XXODHZAHAQSDRS-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000820753315 606810449 /nfs/dbraw/zinc/81/04/49/606810449.db2.gz XXODHZAHAQSDRS-GOEBONIOSA-N 0 3 399.503 0.822 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C[C@H]1[NH+](C)C ZINC000820736127 606837343 /nfs/dbraw/zinc/83/73/43/606837343.db2.gz XTLRQEVPPQKERV-NOZJJQNGSA-N 0 3 377.836 0.867 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000820736134 606837607 /nfs/dbraw/zinc/83/76/07/606837607.db2.gz XTLRQEVPPQKERV-ZANVPECISA-N 0 3 377.836 0.867 20 0 GCADHN COC(=O)CC[N@H+](C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000821661775 606905208 /nfs/dbraw/zinc/90/52/08/606905208.db2.gz XWORZEMPPGTVAL-INIZCTEOSA-N 0 3 375.429 0.944 20 0 GCADHN COC(=O)CC[N@@H+](C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000821661775 606905209 /nfs/dbraw/zinc/90/52/09/606905209.db2.gz XWORZEMPPGTVAL-INIZCTEOSA-N 0 3 375.429 0.944 20 0 GCADHN COC(=O)CC[N@H+](C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000821661775 606905211 /nfs/dbraw/zinc/90/52/11/606905211.db2.gz XWORZEMPPGTVAL-INIZCTEOSA-N 0 3 375.429 0.944 20 0 GCADHN COC(=O)CC[N@@H+](C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000821661775 606905213 /nfs/dbraw/zinc/90/52/13/606905213.db2.gz XWORZEMPPGTVAL-INIZCTEOSA-N 0 3 375.429 0.944 20 0 GCADHN C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820751301 606913932 /nfs/dbraw/zinc/91/39/32/606913932.db2.gz FQQMPYIALQBRRE-MEDUHNTESA-N 0 3 393.455 0.847 20 0 GCADHN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820751301 606913933 /nfs/dbraw/zinc/91/39/33/606913933.db2.gz FQQMPYIALQBRRE-MEDUHNTESA-N 0 3 393.455 0.847 20 0 GCADHN C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820751303 606914261 /nfs/dbraw/zinc/91/42/61/606914261.db2.gz FQQMPYIALQBRRE-ZBEGNZNMSA-N 0 3 393.455 0.847 20 0 GCADHN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820751303 606914263 /nfs/dbraw/zinc/91/42/63/606914263.db2.gz FQQMPYIALQBRRE-ZBEGNZNMSA-N 0 3 393.455 0.847 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)C2 ZINC000823821381 606921753 /nfs/dbraw/zinc/92/17/53/606921753.db2.gz TWJRTANYLQVQKY-IMJJTQAJSA-N 0 3 387.492 0.338 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)C2 ZINC000823821381 606921754 /nfs/dbraw/zinc/92/17/54/606921754.db2.gz TWJRTANYLQVQKY-IMJJTQAJSA-N 0 3 387.492 0.338 20 0 GCADHN CCc1nnc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821535799 606931128 /nfs/dbraw/zinc/93/11/28/606931128.db2.gz PJVLUUXRGLCANT-LBPRGKRZSA-N 0 3 387.492 0.781 20 0 GCADHN CCc1nnc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821535799 606931129 /nfs/dbraw/zinc/93/11/29/606931129.db2.gz PJVLUUXRGLCANT-LBPRGKRZSA-N 0 3 387.492 0.781 20 0 GCADHN CCc1nnc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821535799 606931130 /nfs/dbraw/zinc/93/11/30/606931130.db2.gz PJVLUUXRGLCANT-LBPRGKRZSA-N 0 3 387.492 0.781 20 0 GCADHN CCc1nnc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821535799 606931131 /nfs/dbraw/zinc/93/11/31/606931131.db2.gz PJVLUUXRGLCANT-LBPRGKRZSA-N 0 3 387.492 0.781 20 0 GCADHN CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)c(C)c3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000819797027 607026969 /nfs/dbraw/zinc/02/69/69/607026969.db2.gz ROXGRUSDBMZCSA-MLGOLLRUSA-N 0 3 399.503 0.652 20 0 GCADHN CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)c(C)c3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000819797027 607026971 /nfs/dbraw/zinc/02/69/71/607026971.db2.gz ROXGRUSDBMZCSA-MLGOLLRUSA-N 0 3 399.503 0.652 20 0 GCADHN C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820750525 607063734 /nfs/dbraw/zinc/06/37/34/607063734.db2.gz BJOBUTWXSMJNFE-WMLDXEAASA-N 0 3 389.479 0.843 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625590 607095149 /nfs/dbraw/zinc/09/51/49/607095149.db2.gz RHAXILWBSRYVRP-NHYWBVRUSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC[C@@H]21 ZINC000821625590 607095151 /nfs/dbraw/zinc/09/51/51/607095151.db2.gz RHAXILWBSRYVRP-NHYWBVRUSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625590 607095153 /nfs/dbraw/zinc/09/51/53/607095153.db2.gz RHAXILWBSRYVRP-NHYWBVRUSA-N 0 3 387.419 0.887 20 0 GCADHN C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC[C@@H]21 ZINC000821625590 607095155 /nfs/dbraw/zinc/09/51/55/607095155.db2.gz RHAXILWBSRYVRP-NHYWBVRUSA-N 0 3 387.419 0.887 20 0 GCADHN O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823201598 607182758 /nfs/dbraw/zinc/18/27/58/607182758.db2.gz KRRMFMACPUQOIA-UHFFFAOYSA-N 0 3 386.803 0.504 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@@H]1[NH+](C)C ZINC000820733678 607183889 /nfs/dbraw/zinc/18/38/89/607183889.db2.gz ICGUYHOQGSAZGH-RNCFNFMXSA-N 0 3 377.836 0.867 20 0 GCADHN c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)C2 ZINC000823821702 607230303 /nfs/dbraw/zinc/23/03/03/607230303.db2.gz XWXQHVIMYBQBCE-OZVIIMIRSA-N 0 3 376.490 0.749 20 0 GCADHN c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)C2 ZINC000823821702 607230304 /nfs/dbraw/zinc/23/03/04/607230304.db2.gz XWXQHVIMYBQBCE-OZVIIMIRSA-N 0 3 376.490 0.749 20 0 GCADHN Cc1nc(SCC(=O)NC[C@](C)(O)C[NH+](C)C)c(-c2nnn[n-]2)c(C)c1C ZINC000826327669 607777079 /nfs/dbraw/zinc/77/70/79/607777079.db2.gz PQOKULIUIFQURE-KRWDZBQOSA-N 0 3 393.517 0.708 20 0 GCADHN Cc1nc(SCC(=O)NC[C@](C)(O)C[NH+](C)C)c(-c2nn[n-]n2)c(C)c1C ZINC000826327669 607777080 /nfs/dbraw/zinc/77/70/80/607777080.db2.gz PQOKULIUIFQURE-KRWDZBQOSA-N 0 3 393.517 0.708 20 0 GCADHN O=S(=O)(CCNC1(CO)Cc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826485593 607828355 /nfs/dbraw/zinc/82/83/55/607828355.db2.gz WMBGVWLWUFDTCS-UHFFFAOYSA-N 0 3 399.476 0.760 20 0 GCADHN C[NH+]1CCC([C@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC000826021918 607914293 /nfs/dbraw/zinc/91/42/93/607914293.db2.gz DZBJREQOOQAPBC-KRWDZBQOSA-N 0 3 397.483 0.787 20 0 GCADHN C[NH+]1CCC([C@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC000826021918 607914294 /nfs/dbraw/zinc/91/42/94/607914294.db2.gz DZBJREQOOQAPBC-KRWDZBQOSA-N 0 3 397.483 0.787 20 0 GCADHN COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000826148139 607925518 /nfs/dbraw/zinc/92/55/18/607925518.db2.gz ADCQWFDWPZSFGK-QGZVFWFLSA-N 0 3 377.401 0.711 20 0 GCADHN NS(=O)(=O)c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826395014 608016698 /nfs/dbraw/zinc/01/66/98/608016698.db2.gz JLVYGYNTQZCMBU-LBPRGKRZSA-N 0 3 393.473 0.179 20 0 GCADHN NS(=O)(=O)c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826395014 608016699 /nfs/dbraw/zinc/01/66/99/608016699.db2.gz JLVYGYNTQZCMBU-LBPRGKRZSA-N 0 3 393.473 0.179 20 0 GCADHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](Cc2ccccc2)N(C)C)c1-c1nnn[n-]1 ZINC000826073264 608020181 /nfs/dbraw/zinc/02/01/81/608020181.db2.gz LXYWWSFUURROMF-OAHLLOKOSA-N 0 3 397.487 0.853 20 0 GCADHN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000825933338 608034136 /nfs/dbraw/zinc/03/41/36/608034136.db2.gz BYHYFWKWJMJAHP-AWEZNQCLSA-N 0 3 381.444 0.842 20 0 GCADHN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000825933338 608034137 /nfs/dbraw/zinc/03/41/37/608034137.db2.gz BYHYFWKWJMJAHP-AWEZNQCLSA-N 0 3 381.444 0.842 20 0 GCADHN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nnn[n-]2)cn1 ZINC000826432038 608076059 /nfs/dbraw/zinc/07/60/59/608076059.db2.gz QGUAKIFVUMXSSB-IAGOWNOFSA-N 0 3 393.451 0.875 20 0 GCADHN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nnn[n-]2)cn1 ZINC000826432038 608076060 /nfs/dbraw/zinc/07/60/60/608076060.db2.gz QGUAKIFVUMXSSB-IAGOWNOFSA-N 0 3 393.451 0.875 20 0 GCADHN CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000824103485 608100646 /nfs/dbraw/zinc/10/06/46/608100646.db2.gz BXVDKVNUOFYTPJ-NSHDSACASA-N 0 3 389.464 0.561 20 0 GCADHN CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000824103485 608100647 /nfs/dbraw/zinc/10/06/47/608100647.db2.gz BXVDKVNUOFYTPJ-NSHDSACASA-N 0 3 389.464 0.561 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824706829 608162707 /nfs/dbraw/zinc/16/27/07/608162707.db2.gz JXLGZGDIRIKTOO-ZDUSSCGKSA-N 0 3 388.476 0.225 20 0 GCADHN C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824706829 608162708 /nfs/dbraw/zinc/16/27/08/608162708.db2.gz JXLGZGDIRIKTOO-ZDUSSCGKSA-N 0 3 388.476 0.225 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824706828 608162770 /nfs/dbraw/zinc/16/27/70/608162770.db2.gz JXLGZGDIRIKTOO-CYBMUJFWSA-N 0 3 388.476 0.225 20 0 GCADHN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824706828 608162772 /nfs/dbraw/zinc/16/27/72/608162772.db2.gz JXLGZGDIRIKTOO-CYBMUJFWSA-N 0 3 388.476 0.225 20 0 GCADHN C[C@H]1CN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824985032 608170999 /nfs/dbraw/zinc/17/09/99/608170999.db2.gz QJXCNKZHUUKISV-YJBOKZPZSA-N 0 3 398.515 0.763 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826033564 608223550 /nfs/dbraw/zinc/22/35/50/608223550.db2.gz HDQGCHKVQSMQMK-INIZCTEOSA-N 0 3 399.503 0.302 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826033564 608223552 /nfs/dbraw/zinc/22/35/52/608223552.db2.gz HDQGCHKVQSMQMK-INIZCTEOSA-N 0 3 399.503 0.302 20 0 GCADHN C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826033564 608223553 /nfs/dbraw/zinc/22/35/53/608223553.db2.gz HDQGCHKVQSMQMK-INIZCTEOSA-N 0 3 399.503 0.302 20 0 GCADHN C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826033564 608223555 /nfs/dbraw/zinc/22/35/55/608223555.db2.gz HDQGCHKVQSMQMK-INIZCTEOSA-N 0 3 399.503 0.302 20 0 GCADHN C[NH+](C)CCCOC1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825865801 608226501 /nfs/dbraw/zinc/22/65/01/608226501.db2.gz LNAGRVVSXNJCAC-UHFFFAOYSA-N 0 3 388.476 0.633 20 0 GCADHN C[NH+](C)CCCOC1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825865801 608226502 /nfs/dbraw/zinc/22/65/02/608226502.db2.gz LNAGRVVSXNJCAC-UHFFFAOYSA-N 0 3 388.476 0.633 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000826169177 608352609 /nfs/dbraw/zinc/35/26/09/608352609.db2.gz KKGQJXVNAXDFLJ-MRXNPFEDSA-N 0 3 386.456 0.946 20 0 GCADHN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000826169177 608352611 /nfs/dbraw/zinc/35/26/11/608352611.db2.gz KKGQJXVNAXDFLJ-MRXNPFEDSA-N 0 3 386.456 0.946 20 0 GCADHN C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824947543 608355081 /nfs/dbraw/zinc/35/50/81/608355081.db2.gz OMKFLLYGROGILZ-LLVKDONJSA-N 0 3 389.464 0.357 20 0 GCADHN C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824947543 608355083 /nfs/dbraw/zinc/35/50/83/608355083.db2.gz OMKFLLYGROGILZ-LLVKDONJSA-N 0 3 389.464 0.357 20 0 GCADHN COc1cc(-c2nn[nH]n2)ccc1CN1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000826169706 608359397 /nfs/dbraw/zinc/35/93/97/608359397.db2.gz BJMZGGSKYMQLEH-KRWDZBQOSA-N 0 3 387.488 0.324 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3F)C[C@@H]2C)CC1 ZINC000823982255 608397015 /nfs/dbraw/zinc/39/70/15/608397015.db2.gz XVSJQEKRENOJLH-SUMWQHHRSA-N 0 3 387.463 0.990 20 0 GCADHN CC(=O)N1CCN([C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3F)C[C@@H]2C)CC1 ZINC000823982255 608397016 /nfs/dbraw/zinc/39/70/16/608397016.db2.gz XVSJQEKRENOJLH-SUMWQHHRSA-N 0 3 387.463 0.990 20 0 GCADHN C[NH+](C)CCCNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825865421 609179890 /nfs/dbraw/zinc/17/98/90/609179890.db2.gz DIVUEIGLISJDLR-HNNXBMFYSA-N 0 3 386.460 0.613 20 0 GCADHN C[NH+](C)CCCNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825865421 609179893 /nfs/dbraw/zinc/17/98/93/609179893.db2.gz DIVUEIGLISJDLR-HNNXBMFYSA-N 0 3 386.460 0.613 20 0 GCADHN C[NH+](C)CCCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825865422 609180104 /nfs/dbraw/zinc/18/01/04/609180104.db2.gz DIVUEIGLISJDLR-OAHLLOKOSA-N 0 3 386.460 0.613 20 0 GCADHN C[NH+](C)CCCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825865422 609180106 /nfs/dbraw/zinc/18/01/06/609180106.db2.gz DIVUEIGLISJDLR-OAHLLOKOSA-N 0 3 386.460 0.613 20 0 GCADHN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826033462 609226787 /nfs/dbraw/zinc/22/67/87/609226787.db2.gz DOPPCZGOTGIJIG-QZTJIDSGSA-N 0 3 399.499 0.529 20 0 GCADHN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826033462 609226789 /nfs/dbraw/zinc/22/67/89/609226789.db2.gz DOPPCZGOTGIJIG-QZTJIDSGSA-N 0 3 399.499 0.529 20 0 GCADHN Cn1cc(C[NH2+][C@H]2CCCN(CCO)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361263 609339064 /nfs/dbraw/zinc/33/90/64/609339064.db2.gz RAAHSDNUFMLZLO-KRWDZBQOSA-N 0 3 382.472 0.814 20 0 GCADHN Cn1cc(CNC[C@@H]2CCCS2(=O)=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361336 609343326 /nfs/dbraw/zinc/34/33/26/609343326.db2.gz UAYDSBKXVSOJDQ-HNNXBMFYSA-N 0 3 387.469 0.934 20 0 GCADHN O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000826494131 609378856 /nfs/dbraw/zinc/37/88/56/609378856.db2.gz PHRLXKYOAIYIMU-UHFFFAOYSA-N 0 3 391.501 0.269 20 0 GCADHN O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000826494131 609378859 /nfs/dbraw/zinc/37/88/59/609378859.db2.gz PHRLXKYOAIYIMU-UHFFFAOYSA-N 0 3 391.501 0.269 20 0 GCADHN CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nccc(C)c3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000823980439 609576390 /nfs/dbraw/zinc/57/63/90/609576390.db2.gz CSALALGCOFIGQD-GDBMZVCRSA-N 0 3 384.488 0.949 20 0 GCADHN CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nccc(C)c3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000823980439 609576392 /nfs/dbraw/zinc/57/63/92/609576392.db2.gz CSALALGCOFIGQD-GDBMZVCRSA-N 0 3 384.488 0.949 20 0 GCADHN CS(C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000866840445 638429414 /nfs/dbraw/zinc/42/94/14/638429414.db2.gz FROBHWOWKCCBMP-UHFFFAOYSA-N 0 3 375.516 0.705 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC000891048577 638461104 /nfs/dbraw/zinc/46/11/04/638461104.db2.gz DBQYGPVEOVAGDJ-AWEZNQCLSA-N 0 3 376.523 0.163 20 0 GCADHN CN(Cc1cccc(Br)c1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926300683 638518921 /nfs/dbraw/zinc/51/89/21/638518921.db2.gz XOCSIYFMRHRYDG-UHFFFAOYSA-N 0 3 383.290 0.429 20 0 GCADHN O=C(NCCS(=O)(=O)CC(F)(F)F)NC[C@H]1Cc2ccccc2CN1 ZINC000892244827 638536691 /nfs/dbraw/zinc/53/66/91/638536691.db2.gz WPQFNNGSHWHCKD-CYBMUJFWSA-N 0 3 379.404 0.977 20 0 GCADHN O=C(NCCS(=O)(=O)CC(F)(F)F)NC[C@@H]1Cc2ccccc2CN1 ZINC000892244828 638536916 /nfs/dbraw/zinc/53/69/16/638536916.db2.gz WPQFNNGSHWHCKD-ZDUSSCGKSA-N 0 3 379.404 0.977 20 0 GCADHN O=C(CNC(=O)c1c[nH]c(=O)c(Br)c1)NCCN1CCCCC1 ZINC000909322213 638602499 /nfs/dbraw/zinc/60/24/99/638602499.db2.gz APEQNHKXYXBHEU-UHFFFAOYSA-N 0 3 385.262 0.882 20 0 GCADHN O=C(CCn1cc(Br)cn1)NCC(=O)NCCN1CCCCC1 ZINC000909324544 638604834 /nfs/dbraw/zinc/60/48/34/638604834.db2.gz JRDXCZHEMMYWQM-UHFFFAOYSA-N 0 3 386.294 0.754 20 0 GCADHN COCCN1CCC(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000726479152 638675266 /nfs/dbraw/zinc/67/52/66/638675266.db2.gz CCDDZQYLLPUWJX-UHFFFAOYSA-N 0 3 386.543 0.409 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)s1 ZINC000894356815 638695883 /nfs/dbraw/zinc/69/58/83/638695883.db2.gz NDMMFLNVWYSRQT-UONOGXRCSA-N 0 3 387.527 0.892 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1cn(C)nc1I ZINC000895083602 638723620 /nfs/dbraw/zinc/72/36/20/638723620.db2.gz BEULYZYXAZVKFP-SNVBAGLBSA-N 0 3 391.257 0.577 20 0 GCADHN CS(=O)(=O)NCCNC(=S)NC[C@@H](c1cccs1)N1CCCC1 ZINC000727066322 638730326 /nfs/dbraw/zinc/73/03/26/638730326.db2.gz JIGUEQUXSBUHMH-LBPRGKRZSA-N 0 3 376.573 0.898 20 0 GCADHN CCN1CCN(c2ccc(NC(=S)NCCNS(C)(=O)=O)cc2)CC1 ZINC000727069531 638730655 /nfs/dbraw/zinc/73/06/55/638730655.db2.gz YWJZRYJRYJYRTN-UHFFFAOYSA-N 0 3 385.559 0.664 20 0 GCADHN CN(C)CCN(C(=S)NCC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000727072323 638732694 /nfs/dbraw/zinc/73/26/94/638732694.db2.gz LWHLVUTWBIKZHW-AWEZNQCLSA-N 0 3 378.608 0.499 20 0 GCADHN CN(C)CCN(Cc1cccc(F)c1)C(=S)NCCNS(C)(=O)=O ZINC000727086216 638738032 /nfs/dbraw/zinc/73/80/32/638738032.db2.gz YNBUCXUWCOIACV-UHFFFAOYSA-N 0 3 376.523 0.613 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1c[nH]nc1I ZINC000895990642 639035641 /nfs/dbraw/zinc/03/56/41/639035641.db2.gz JTZLSOVEZWFXBF-RKDXNWHRSA-N 0 3 376.198 0.607 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cn(C)nc2Br)CC1 ZINC000896165071 639040698 /nfs/dbraw/zinc/04/06/98/639040698.db2.gz VIEPEVCDKUFAIE-UHFFFAOYSA-N 0 3 386.294 0.809 20 0 GCADHN C[C@H](CNC(=O)c1c[nH]nc1I)CN1CCN(C)CC1 ZINC000896707489 639060578 /nfs/dbraw/zinc/06/05/78/639060578.db2.gz BEVQWKQDGLWQSM-SNVBAGLBSA-N 0 3 391.257 0.628 20 0 GCADHN C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000262733049 639134191 /nfs/dbraw/zinc/13/41/91/639134191.db2.gz FCCPPGVVUPBZRT-JTQLQIEISA-N 0 3 379.479 0.945 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=S)NCCS(C)(=O)=O)cc2)CC1 ZINC000729157286 639152686 /nfs/dbraw/zinc/15/26/86/639152686.db2.gz ZVQBXVXXMYOYMB-UHFFFAOYSA-N 0 3 384.571 0.443 20 0 GCADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)CCCN(C)C)CCO1 ZINC000866961495 639163974 /nfs/dbraw/zinc/16/39/74/639163974.db2.gz DCIXFZKOVBCLBV-KBPBESRZSA-N 0 3 379.523 0.882 20 0 GCADHN O=C(CSc1nnnn1CC(F)(F)F)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729972350 639204221 /nfs/dbraw/zinc/20/42/21/639204221.db2.gz XOAZTNLFMBBJJO-VHSXEESVSA-N 0 3 380.396 0.307 20 0 GCADHN Cc1[nH]nc(I)c1C(=O)N[C@H](CO)CN1CCCC1 ZINC000897764579 639209611 /nfs/dbraw/zinc/20/96/11/639209611.db2.gz KFFSZZHLWCDOCQ-VIFPVBQESA-N 0 3 378.214 0.509 20 0 GCADHN Cc1[nH]nc(I)c1C(=O)NC[C@@H]1CCCN1CCCO ZINC000897877430 639212580 /nfs/dbraw/zinc/21/25/80/639212580.db2.gz RRGFPOUVRWUOTQ-JTQLQIEISA-N 0 3 392.241 0.899 20 0 GCADHN CN(CCO)CCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000899728120 639272300 /nfs/dbraw/zinc/27/23/00/639272300.db2.gz LIPFVFMABBLHEW-UHFFFAOYSA-N 0 3 398.257 0.476 20 0 GCADHN C[N@H+](CCO)CCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000899726603 639272736 /nfs/dbraw/zinc/27/27/36/639272736.db2.gz RNQIVEYELGVFEL-UHFFFAOYSA-N 0 3 398.312 0.702 20 0 GCADHN C[N@@H+](CCO)CCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000899726603 639272742 /nfs/dbraw/zinc/27/27/42/639272742.db2.gz RNQIVEYELGVFEL-UHFFFAOYSA-N 0 3 398.312 0.702 20 0 GCADHN CN(CCO)CCNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000899737552 639273374 /nfs/dbraw/zinc/27/33/74/639273374.db2.gz LOJWMUAQGVDNAH-UHFFFAOYSA-N 0 3 383.392 0.731 20 0 GCADHN CNc1cc(I)ccc1C(=O)NCCN(C)CCO ZINC000899741562 639274557 /nfs/dbraw/zinc/27/45/57/639274557.db2.gz YSYCANHVBGLGER-UHFFFAOYSA-N 0 3 377.226 0.987 20 0 GCADHN O=C(CNC(=O)c1cnc(Cl)c(Cl)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000908204773 639445370 /nfs/dbraw/zinc/44/53/70/639445370.db2.gz WZEBLGWRVXKOJL-VXGBXAGGSA-N 0 3 387.267 0.786 20 0 GCADHN Cc1c(Br)cccc1CCNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000911310263 639512105 /nfs/dbraw/zinc/51/21/05/639512105.db2.gz LADGPMZMGZGMEG-CYBMUJFWSA-N 0 3 384.274 0.521 20 0 GCADHN Cn1ncc(I)c1C(=O)N(CCO)C1CCN(C)CC1 ZINC000911941717 639525281 /nfs/dbraw/zinc/52/52/81/639525281.db2.gz HKJNEDTYKVEKFE-UHFFFAOYSA-N 0 3 392.241 0.553 20 0 GCADHN COCCN(C)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000732995743 639816449 /nfs/dbraw/zinc/81/64/49/639816449.db2.gz RHEXVCAWEVFDGK-UHFFFAOYSA-N 0 3 386.465 0.128 20 0 GCADHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(NS(C)(=O)=O)c(F)c3)C[C@@H]2C1 ZINC000916664423 639831418 /nfs/dbraw/zinc/83/14/18/639831418.db2.gz XJKCBGAUROPTMQ-NEPJUHHUSA-N 0 3 391.490 0.769 20 0 GCADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)cc1 ZINC000916666537 639831499 /nfs/dbraw/zinc/83/14/99/639831499.db2.gz RLKOSDNAJXUSBG-UONOGXRCSA-N 0 3 387.527 0.509 20 0 GCADHN CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(S(C)(=O)=O)c(F)c3)C[C@@H]2C1 ZINC000916664098 639831811 /nfs/dbraw/zinc/83/18/11/639831811.db2.gz PKWVBINJKQMKNL-NEPJUHHUSA-N 0 3 376.475 0.801 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC1 ZINC000919942224 639909878 /nfs/dbraw/zinc/90/98/78/639909878.db2.gz KWWYNCNPZWTENF-GJZGRUSLSA-N 0 3 376.523 0.858 20 0 GCADHN CN(C)CCn1cc(NC(=O)Cn2ccc(Br)cc2=O)ccc1=O ZINC000866976850 640121385 /nfs/dbraw/zinc/12/13/85/640121385.db2.gz YMPMPBGWHGXGBD-UHFFFAOYSA-N 0 3 395.257 0.973 20 0 GCADHN Cn1cnc(S(=O)(=O)[N-]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000702553335 640123955 /nfs/dbraw/zinc/12/39/55/640123955.db2.gz LCXIWBAAXLQDKN-INIZCTEOSA-N 0 3 384.889 0.989 20 0 GCADHN Cn1cnc(S(=O)(=O)[N-]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000702553335 640123958 /nfs/dbraw/zinc/12/39/58/640123958.db2.gz LCXIWBAAXLQDKN-INIZCTEOSA-N 0 3 384.889 0.989 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N(C)[C@H]2CCN(CC)[C@H](C)C2)CC1 ZINC000740893735 640218113 /nfs/dbraw/zinc/21/81/13/640218113.db2.gz CQYFBXDRGSFEBI-CABCVRRESA-N 0 3 376.523 0.810 20 0 GCADHN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000751067393 640374051 /nfs/dbraw/zinc/37/40/51/640374051.db2.gz OPZDIXUIGOYRKI-UHFFFAOYSA-N 0 3 375.495 0.009 20 0 GCADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1F ZINC000752480048 640409885 /nfs/dbraw/zinc/40/98/85/640409885.db2.gz ANFYEAUVCNWGHT-INIZCTEOSA-N 0 3 375.466 0.555 20 0 GCADHN CS[C@@H]1CN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)C[C@H]1N(C)C ZINC000759987138 640560098 /nfs/dbraw/zinc/56/00/98/640560098.db2.gz SWZYDJPASJAFHG-VXGBXAGGSA-N 0 3 375.520 0.437 20 0 GCADHN Cc1nc(NC(=O)[C@@H]2CN3CCN2CCC3)sc1C1N=NC(=S)N1C ZINC000763554692 640631084 /nfs/dbraw/zinc/63/10/84/640631084.db2.gz UIGWKMMXHDKPGF-JTQLQIEISA-N 0 3 379.515 0.864 20 0 GCADHN C[C@@H](NCCOCCO)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764625811 640650931 /nfs/dbraw/zinc/65/09/31/640650931.db2.gz LRKDHPPAPSDJQY-GFCCVEGCSA-N 0 3 380.488 0.072 20 0 GCADHN COC[C@H](CCO)N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766106006 640690558 /nfs/dbraw/zinc/69/05/58/640690558.db2.gz AMZMXXUFVKRSNN-OCCSQVGLSA-N 0 3 394.515 0.460 20 0 GCADHN C[C@@H](NCCn1cccn1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000772954867 640853323 /nfs/dbraw/zinc/85/33/23/640853323.db2.gz YEEIRNBTKZKUPF-CYBMUJFWSA-N 0 3 386.499 0.960 20 0 GCADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000774284366 640884276 /nfs/dbraw/zinc/88/42/76/640884276.db2.gz UIZSEGKQZNXEKN-SNVBAGLBSA-N 0 3 385.262 0.687 20 0 GCADHN CC(C)NS(=O)(=O)CCN[C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862276773 641191904 /nfs/dbraw/zinc/19/19/04/641191904.db2.gz CSHFVLLDBFYQQF-UONOGXRCSA-N 0 3 379.523 0.928 20 0 GCADHN CC(C)NS(=O)(=O)CCN[C@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862276774 641191935 /nfs/dbraw/zinc/19/19/35/641191935.db2.gz CSHFVLLDBFYQQF-ZIAGYGMSSA-N 0 3 379.523 0.928 20 0 GCADHN COC[C@@H](CN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)OC ZINC000781425916 641227263 /nfs/dbraw/zinc/22/72/63/641227263.db2.gz IHKLZFBPFKGRLZ-IUODEOHRSA-N 0 3 394.515 0.724 20 0 GCADHN C[C@H](CNC(=O)Cn1ccc(Br)cc1=O)CN1CCN(C)CC1 ZINC000865801647 641287206 /nfs/dbraw/zinc/28/72/06/641287206.db2.gz BMNLKRWVIJHTDC-CYBMUJFWSA-N 0 3 385.306 0.611 20 0 GCADHN CN(C)CCCS(=O)(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000866540327 641307613 /nfs/dbraw/zinc/30/76/13/641307613.db2.gz LHWQALHJQOFVGG-UHFFFAOYSA-N 0 3 378.539 0.410 20 0 GCADHN CCS(=O)(CC)=NS(=O)(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000866619587 641311918 /nfs/dbraw/zinc/31/19/18/641311918.db2.gz FLRBTYYHPZVVGT-UHFFFAOYSA-N 0 3 389.547 0.676 20 0 GCADHN O=C(Cn1ccc(Br)cc1=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000866606686 641311959 /nfs/dbraw/zinc/31/19/59/641311959.db2.gz DYCZBOKNZCIYFS-AWEZNQCLSA-N 0 3 384.274 0.980 20 0 GCADHN NS(=O)(=O)c1cc(Br)cnc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000785794276 641317145 /nfs/dbraw/zinc/31/71/45/641317145.db2.gz LTGBBTULHDBBGG-QWRGUYRKSA-N 0 3 391.291 0.767 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)nc2F)CC1 ZINC000866736646 641320468 /nfs/dbraw/zinc/32/04/68/641320468.db2.gz YZZVSCDRZALMHA-UHFFFAOYSA-N 0 3 376.429 0.535 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C[NH3+])c1I ZINC000866741078 641321649 /nfs/dbraw/zinc/32/16/49/641321649.db2.gz ZQKLQAOTWMAROG-DTWKUNHWSA-N 0 3 398.270 0.821 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C2(C[NH3+])CCCC2)c1I ZINC000866739975 641321834 /nfs/dbraw/zinc/32/18/34/641321834.db2.gz IXUGVOYZKQRUHO-UHFFFAOYSA-N 0 3 384.243 0.575 20 0 GCADHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866741188 641322329 /nfs/dbraw/zinc/32/23/29/641322329.db2.gz COTMDDZFLYAELC-UHFFFAOYSA-N 0 3 386.259 0.821 20 0 GCADHN CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC000866751441 641324219 /nfs/dbraw/zinc/32/42/19/641324219.db2.gz WYHBLGOPUOBILC-OAHLLOKOSA-N 0 3 378.564 0.595 20 0 GCADHN C[C@@H]1CC[NH2+]C[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866761325 641326331 /nfs/dbraw/zinc/32/63/31/641326331.db2.gz UDRMQBWWCGPLHS-SFYZADRCSA-N 0 3 384.243 0.301 20 0 GCADHN C[C@H]1C[NH2+]CC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866761044 641326477 /nfs/dbraw/zinc/32/64/77/641326477.db2.gz PGLSFYKQSXANIG-JGVFFNPUSA-N 0 3 384.243 0.301 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCCCCC[NH3+])c1I ZINC000866773794 641329753 /nfs/dbraw/zinc/32/97/53/641329753.db2.gz JVMQCMYVKQONON-UHFFFAOYSA-N 0 3 386.259 0.822 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]CCC2(C[NH3+])CC2)c1I ZINC000866774717 641330365 /nfs/dbraw/zinc/33/03/65/641330365.db2.gz PPWZBNLEBPYYNZ-UHFFFAOYSA-N 0 3 384.243 0.432 20 0 GCADHN Cn1ncc(S(=O)(=O)[N-]C2(C[NH3+])CCCCC2)c1I ZINC000866800644 641335115 /nfs/dbraw/zinc/33/51/15/641335115.db2.gz WLJNDAHCBUFACL-UHFFFAOYSA-N 0 3 398.270 0.965 20 0 GCADHN C[C@H]([N-]S(=O)(=O)c1cnn(C)c1I)C1CC[NH2+]CC1 ZINC000866812338 641337329 /nfs/dbraw/zinc/33/73/29/641337329.db2.gz IOSTUPBJGWZUGH-QMMMGPOBSA-N 0 3 398.270 0.691 20 0 GCADHN C[C@@H](CC[N-]S(=O)(=O)c1cnn(C)c1I)[NH+](C)C ZINC000867503690 641347986 /nfs/dbraw/zinc/34/79/86/641347986.db2.gz IKNQTEZECNJHMT-QMMMGPOBSA-N 0 3 386.259 0.643 20 0 GCADHN CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000867504043 641348466 /nfs/dbraw/zinc/34/84/66/641348466.db2.gz NVPAALBEDJZLQP-IQMFZBJNSA-N 0 3 375.516 0.705 20 0 GCADHN CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000867504043 641348471 /nfs/dbraw/zinc/34/84/71/641348471.db2.gz NVPAALBEDJZLQP-IQMFZBJNSA-N 0 3 375.516 0.705 20 0 GCADHN COCCN(CC1CCN(C)CC1)S(=O)(=O)CC1(C(=O)OC)CCC1 ZINC000867581468 641358891 /nfs/dbraw/zinc/35/88/91/641358891.db2.gz LLQYDXYXRNGDNY-UHFFFAOYSA-N 0 3 376.519 0.950 20 0 GCADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)CC2CC(F)(F)C2)CC1=O ZINC000867709489 641369441 /nfs/dbraw/zinc/36/94/41/641369441.db2.gz MHBSBHAYFTTZGH-ZDUSSCGKSA-N 0 3 383.461 0.130 20 0 GCADHN CN(C)CCCS(=O)(=O)NCc1c(I)cnn1C ZINC000867897998 641388213 /nfs/dbraw/zinc/38/82/13/641388213.db2.gz BIWPRJHXGYPJKF-UHFFFAOYSA-N 0 3 386.259 0.396 20 0 GCADHN COCCN(C)CCNC(=O)NCc1c(I)cnn1C ZINC000868216022 641398164 /nfs/dbraw/zinc/39/81/64/641398164.db2.gz DKYNTLMVZSCAOI-UHFFFAOYSA-N 0 3 395.245 0.402 20 0 GCADHN COc1cc(I)ccc1C(=O)N[C@@H](CO)CN(C)C ZINC000868345874 641402433 /nfs/dbraw/zinc/40/24/33/641402433.db2.gz SEXCTGFCSVHNMK-SNVBAGLBSA-N 0 3 378.210 0.952 20 0 GCADHN Cn1nc(I)cc1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000868344019 641402464 /nfs/dbraw/zinc/40/24/64/641402464.db2.gz NMZQLEZOIWBVIA-ZJUUUORDSA-N 0 3 390.225 0.306 20 0 GCADHN O=C(C1CCCCS1(=O)=O)N(CCCO)S(=O)(=O)c1cccs1 ZINC000791789313 641437420 /nfs/dbraw/zinc/43/74/20/641437420.db2.gz REKOCLDJTLISTI-LLVKDONJSA-N 0 3 381.497 0.615 20 0 GCADHN O=C1[C@H](NS(=O)(=O)N2CCNCC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000923633340 641458175 /nfs/dbraw/zinc/45/81/75/641458175.db2.gz AWKVILUPNZBNSW-CYBMUJFWSA-N 0 3 393.296 0.838 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cccc(Br)n2)CC1 ZINC000872475331 641472527 /nfs/dbraw/zinc/47/25/27/641472527.db2.gz LPOSSKKZKGIJOS-UHFFFAOYSA-N 0 3 377.308 0.760 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC2(CCNC2=O)CC1 ZINC000872522933 641477569 /nfs/dbraw/zinc/47/75/69/641477569.db2.gz UPHVUOCCASSDMQ-SNVBAGLBSA-N 0 3 386.392 0.802 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000872542514 641482590 /nfs/dbraw/zinc/48/25/90/641482590.db2.gz CCYBMGHFCJUSOG-PMPSAXMXSA-N 0 3 375.535 0.400 20 0 GCADHN CN1CCN(C2CCN(C(=O)C(=O)NCc3ncc(Cl)s3)CC2)CC1 ZINC000872980772 641498662 /nfs/dbraw/zinc/49/86/62/641498662.db2.gz HKELBASASDUEJI-UHFFFAOYSA-N 0 3 385.921 0.651 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCOC(F)(F)C(F)(F)F ZINC000873159304 641501988 /nfs/dbraw/zinc/50/19/88/641501988.db2.gz JAQZGCVCEDYZSB-SECBINFHSA-N 0 3 376.326 0.920 20 0 GCADHN Nc1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc(Br)n1 ZINC000874349662 641524069 /nfs/dbraw/zinc/52/40/69/641524069.db2.gz YSFIDFPDKFTPRH-UHFFFAOYSA-N 0 3 396.289 0.807 20 0 GCADHN O=C(NCCSCCC(F)(F)F)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000875154985 641538495 /nfs/dbraw/zinc/53/84/95/641538495.db2.gz AOJWUCWFXOLOAY-RYUDHWBXSA-N 0 3 383.436 0.768 20 0 GCADHN CN1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)CCC1(C)C ZINC000875289725 641542684 /nfs/dbraw/zinc/54/26/84/641542684.db2.gz CMWPXQWJVGEPAS-UHFFFAOYSA-N 0 3 387.527 0.711 20 0 GCADHN CN(C)C[C@H](N)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000876654452 641568440 /nfs/dbraw/zinc/56/84/40/641568440.db2.gz GBGSTPMPADOMTM-AWEZNQCLSA-N 0 3 385.306 0.803 20 0 GCADHN CN(C)C[C@H](N)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000876728325 641569040 /nfs/dbraw/zinc/56/90/40/641569040.db2.gz JHZHQPUCHPJDID-ZDUSSCGKSA-N 0 3 398.305 0.910 20 0 GCADHN CN(C)C[C@H](N)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000876728131 641569078 /nfs/dbraw/zinc/56/90/78/641569078.db2.gz GWDKPTVXDKBXQN-AAEUAGOBSA-N 0 3 398.305 0.910 20 0 GCADHN Cc1nn(CCS(C)(=O)=O)c(C)c1CSc1nnnn1CCN(C)C ZINC000797804239 641572662 /nfs/dbraw/zinc/57/26/62/641572662.db2.gz ZXTPWYIDTSOBBA-UHFFFAOYSA-N 0 3 387.535 0.385 20 0 GCADHN COC[C@]1(C(=O)NCc2c(I)cnn2C)CCCCN1 ZINC000877291400 641578239 /nfs/dbraw/zinc/57/82/39/641578239.db2.gz HKVMWVCSNZTPFE-ZDUSSCGKSA-N 0 3 392.241 0.800 20 0 GCADHN CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877347273 641578914 /nfs/dbraw/zinc/57/89/14/641578914.db2.gz SGXCUULYLMCARM-JKSUJKDBSA-N 0 3 385.555 0.878 20 0 GCADHN Cn1ncc(Br)c1CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000878556112 641596514 /nfs/dbraw/zinc/59/65/14/641596514.db2.gz BOHQTUVDKHUUAG-CYBMUJFWSA-N 0 3 398.305 0.666 20 0 GCADHN COCCN(CCOC)C1CCN(CC(=O)N=[S@](C)(=O)N(C)C)CC1 ZINC000878611028 641598123 /nfs/dbraw/zinc/59/81/23/641598123.db2.gz LHRXSLICVQIJFT-VWLOTQADSA-N 0 3 378.539 0.147 20 0 GCADHN CNS(=O)(=O)CCCN1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 ZINC000879228881 641609437 /nfs/dbraw/zinc/60/94/37/641609437.db2.gz QLKYQFXZLRNPNO-UHFFFAOYSA-N 0 3 379.523 0.620 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CSCCS1 ZINC000806475608 641649028 /nfs/dbraw/zinc/64/90/28/641649028.db2.gz FCZXBEVWIDYWMW-KGLIPLIRSA-N 0 3 375.560 0.520 20 0 GCADHN O=C(CN1CCCC1)N1CCN(c2ccc3nnc(Br)n3n2)CC1 ZINC000881915689 641669711 /nfs/dbraw/zinc/66/97/11/641669711.db2.gz DHFIDADEKZPEIA-UHFFFAOYSA-N 0 3 394.277 0.631 20 0 GCADHN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N[C@@H](CO)CN1CCCC1 ZINC000808218110 641682311 /nfs/dbraw/zinc/68/23/11/641682311.db2.gz FORCQKGEJXPMBZ-CYBMUJFWSA-N 0 3 376.425 0.798 20 0 GCADHN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](CO)CN2CCCC2)ccc1Cl ZINC000808224534 641682993 /nfs/dbraw/zinc/68/29/93/641682993.db2.gz UBJSAWCXJDEURB-ZDUSSCGKSA-N 0 3 389.905 0.777 20 0 GCADHN CC(C)(C)OC(=O)NCCOCCN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000809944757 641717069 /nfs/dbraw/zinc/71/70/69/641717069.db2.gz UCAKORBRWZIBBK-CYBMUJFWSA-N 0 3 380.511 0.033 20 0 GCADHN CSC1(CNS(=O)(=O)N2CCC3(CC2)OCCO3)CCN(C)CC1 ZINC000810084305 641720056 /nfs/dbraw/zinc/72/00/56/641720056.db2.gz YMOWVBBZGVRQJP-UHFFFAOYSA-N 0 3 379.548 0.487 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2c(Br)nnn2C)CC1 ZINC000810139082 641723450 /nfs/dbraw/zinc/72/34/50/641723450.db2.gz MSFPUDRCLBXQMF-UHFFFAOYSA-N 0 3 388.266 0.583 20 0 GCADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1c(Br)nnn1C ZINC000810300342 641725343 /nfs/dbraw/zinc/72/53/43/641725343.db2.gz RMLONBDKBUJRPD-UHFFFAOYSA-N 0 3 390.282 0.923 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1c(Br)nnn1C ZINC000810312077 641725758 /nfs/dbraw/zinc/72/57/58/641725758.db2.gz JIKNSRPENVHRKB-JTQLQIEISA-N 0 3 387.282 0.250 20 0 GCADHN COC(=O)/C=C1\SCC(=O)N1CCCSc1nnnn1CCN(C)C ZINC000212543499 641733309 /nfs/dbraw/zinc/73/33/09/641733309.db2.gz DRVPGKIBJQPEDB-XFXZXTDPSA-N 0 3 386.503 0.307 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)[C@H]1CCOC[C@@H]1OC ZINC000882740570 641736255 /nfs/dbraw/zinc/73/62/55/641736255.db2.gz BEWJIGATNQCVEQ-GARJFASQSA-N 0 3 377.381 0.936 20 0 GCADHN CN(CCNC(=O)c1nc(C2CC2)ncc1Br)CCOCCO ZINC000883153259 641750055 /nfs/dbraw/zinc/75/00/55/641750055.db2.gz XSMZPBMJQNNZJE-UHFFFAOYSA-N 0 3 387.278 0.787 20 0 GCADHN O=C(Nc1cc(Br)cc2c1NC(=O)CO2)C(=O)N1CCCNCC1 ZINC000883603738 641756543 /nfs/dbraw/zinc/75/65/43/641756543.db2.gz BZOISWHXGJSZEV-UHFFFAOYSA-N 0 3 397.229 0.540 20 0 GCADHN COCCCN(C(=O)CS[C@H]1CCS(=O)(=O)C1)C1CCN(C)CC1 ZINC000811946360 641764567 /nfs/dbraw/zinc/76/45/67/641764567.db2.gz YEOHAVYYBAEOMO-HNNXBMFYSA-N 0 3 378.560 0.866 20 0 GCADHN COCC[C@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000884087442 641773649 /nfs/dbraw/zinc/77/36/49/641773649.db2.gz CVXVLDXZWKXBDB-HNNXBMFYSA-N 0 3 376.523 0.004 20 0 GCADHN COCC[C@H](N)C(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000884450003 641784720 /nfs/dbraw/zinc/78/47/20/641784720.db2.gz UNDRTFCPZPYWOZ-AWEZNQCLSA-N 0 3 384.274 0.984 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(Br)cn1 ZINC000884705650 641788980 /nfs/dbraw/zinc/78/89/80/641788980.db2.gz CFGHCPGPZMOVOV-SKDRFNHKSA-N 0 3 385.262 0.690 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ncc(Br)s1 ZINC000884705754 641789011 /nfs/dbraw/zinc/78/90/11/641789011.db2.gz GXTKIPQBUVQWOD-JGVFFNPUSA-N 0 3 391.291 0.751 20 0 GCADHN Cn1ncc(I)c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000814109223 641802871 /nfs/dbraw/zinc/80/28/71/641802871.db2.gz OILXQVBQOLGAPW-UWVGGRQHSA-N 0 3 390.225 0.618 20 0 GCADHN Cn1cc(Br)c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1=O ZINC000889744483 641876744 /nfs/dbraw/zinc/87/67/44/641876744.db2.gz VTKRQGCCQOCZCQ-KGLIPLIRSA-N 0 3 384.274 0.819 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(CN2C(=O)N[C@H](CN(C)C)C2=O)s1 ZINC000924454300 641903886 /nfs/dbraw/zinc/90/38/86/641903886.db2.gz FLIKZVDPSOLEDU-GFCCVEGCSA-N 0 3 388.515 0.761 20 0 GCADHN CN(C)C[C@@H]1NC(=O)N(CCNS(=O)(=O)c2ccc(F)cc2Cl)C1=O ZINC000924877783 641909790 /nfs/dbraw/zinc/90/97/90/641909790.db2.gz GVMKEKQPKNXZQP-NSHDSACASA-N 0 3 392.840 0.239 20 0 GCADHN CN(CCO)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000925021358 641911081 /nfs/dbraw/zinc/91/10/81/641911081.db2.gz 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641938287 /nfs/dbraw/zinc/93/82/87/641938287.db2.gz KQNPNKLUFVNOPX-UHFFFAOYSA-N 0 3 376.791 0.901 20 0 GCADHN COc1c(Cl)cc(NC(=O)C(=O)N2CCNCCNCC2)cc1Cl ZINC000927878179 641938324 /nfs/dbraw/zinc/93/83/24/641938324.db2.gz FYIXXQXSIHKXQM-UHFFFAOYSA-N 0 3 375.256 0.962 20 0 GCADHN COc1ccc(NC(=O)C(=O)N2CCNCCNCC2)cc1Br ZINC000927877580 641938345 /nfs/dbraw/zinc/93/83/45/641938345.db2.gz APKHTVZWAKZPQX-UHFFFAOYSA-N 0 3 385.262 0.418 20 0 GCADHN O=C(C(=O)N1CCNCCNCC1)N1CCc2cc(Br)cc(F)c21 ZINC000927878058 641938350 /nfs/dbraw/zinc/93/83/50/641938350.db2.gz OKDZTQFFEVARQV-UHFFFAOYSA-N 0 3 399.264 0.499 20 0 GCADHN CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCNCCNCC1 ZINC000927877940 641938433 /nfs/dbraw/zinc/93/84/33/641938433.db2.gz CYPCGTBHWBUKDR-UHFFFAOYSA-N 0 3 399.289 0.808 20 0 GCADHN COc1cc(Br)ccc1NC(=O)C(=O)N1CCNCCNCC1 ZINC000927884250 641938795 /nfs/dbraw/zinc/93/87/95/641938795.db2.gz SBGOZDXRAGLXEP-UHFFFAOYSA-N 0 3 385.262 0.418 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)NCCc2nc3c(s2)CCC3)CCSC1 ZINC000929464338 641959422 /nfs/dbraw/zinc/95/94/22/641959422.db2.gz LHFHTXZEEOTQMZ-KRWDZBQOSA-N 0 3 382.555 0.844 20 0 GCADHN CN1CCC(NC(=O)C2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 ZINC000929434880 641959525 /nfs/dbraw/zinc/95/95/25/641959525.db2.gz XIMVJELVVWJBQH-CYBMUJFWSA-N 0 3 375.491 0.231 20 0 GCADHN CN(C)Cc1csc(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)n1 ZINC000929464086 641959611 /nfs/dbraw/zinc/95/96/11/641959611.db2.gz KFPNFEQYEJZKQO-MRXNPFEDSA-N 0 3 385.559 0.374 20 0 GCADHN CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCC[C@H](OCCO)C2)CCC1 ZINC000929654519 641962044 /nfs/dbraw/zinc/96/20/44/641962044.db2.gz WHLRPFHFOMSCOF-GJZGRUSLSA-N 0 3 378.535 0.461 20 0 GCADHN CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCC[C@@H](OCCO)C2)CCC1 ZINC000929654520 641962145 /nfs/dbraw/zinc/96/21/45/641962145.db2.gz WHLRPFHFOMSCOF-HUUCEWRRSA-N 0 3 378.535 0.461 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(Br)nc2)CC1=O ZINC000820848469 641974327 /nfs/dbraw/zinc/97/43/27/641974327.db2.gz SOLSMJILQPOFEB-ZDUSSCGKSA-N 0 3 399.289 0.753 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/nfs/dbraw/zinc/02/13/10/642021310.db2.gz LZKUPOZDVMXTFH-DTWKUNHWSA-N 0 3 391.213 0.307 20 0 GCADHN Cc1[nH]nc(Br)c1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000934895477 642031569 /nfs/dbraw/zinc/03/15/69/642031569.db2.gz LMZNZYFBPWUAHO-NSHDSACASA-N 0 3 384.278 0.859 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000934895580 642031616 /nfs/dbraw/zinc/03/16/16/642031616.db2.gz MJGGWXKIEKPLDV-CYBMUJFWSA-N 0 3 397.273 0.928 20 0 GCADHN C[C@H](CC(=O)NC[C@H]1C[NH2+]CCCO1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000825189285 642047431 /nfs/dbraw/zinc/04/74/31/642047431.db2.gz ZPOUAKSHCQVWAX-VXGBXAGGSA-N 0 3 390.893 0.287 20 0 GCADHN CN1CCN(C2CCN(C(=O)Cn3ccc(Br)cc3=O)CC2)CC1 ZINC000827425736 642076178 /nfs/dbraw/zinc/07/61/78/642076178.db2.gz QNGBARFUCITZDV-UHFFFAOYSA-N 0 3 397.317 0.849 20 0 GCADHN CCN1CCN(CCNC(=O)c2cc3ncc(Br)cn3n2)CC1 ZINC000900686267 642098668 /nfs/dbraw/zinc/09/86/68/642098668.db2.gz LXDMOWIEOIPKMU-UHFFFAOYSA-N 0 3 381.278 0.859 20 0 GCADHN CS[C@@H]1CN(C(=O)C(F)(F)C(=O)N2CCOCC2)C[C@@H]1N1CCCC1 ZINC000836207876 642245274 /nfs/dbraw/zinc/24/52/74/642245274.db2.gz KKACFKDWFRUNNC-QWHCGFSZSA-N 0 3 377.457 0.519 20 0 GCADHN CS[C@H]1CN(C(=O)CCOc2ccc(S(N)(=O)=O)cc2)C[C@H]1N(C)C ZINC000837499172 642274986 /nfs/dbraw/zinc/27/49/86/642274986.db2.gz ZIHYUMJTVWSCLW-CABCVRRESA-N 0 3 387.527 0.607 20 0 GCADHN CS[C@@H]1CN(C(=O)CCOc2ccc(S(N)(=O)=O)cc2)C[C@@H]1N(C)C ZINC000837499175 642275313 /nfs/dbraw/zinc/27/53/13/642275313.db2.gz ZIHYUMJTVWSCLW-LSDHHAIUSA-N 0 3 387.527 0.607 20 0 GCADHN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NC[C@H]1CNCCO1 ZINC000841131565 642290660 /nfs/dbraw/zinc/29/06/60/642290660.db2.gz LBVQGYISRWFNLK-GFCCVEGCSA-N 0 3 391.877 0.873 20 0 GCADHN Cn1c(Cl)ncc1S(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000841554239 642312341 /nfs/dbraw/zinc/31/23/41/642312341.db2.gz IIOSBUIBXWSULT-UHFFFAOYSA-N 0 3 391.925 0.148 20 0 GCADHN CN(CCC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)CC[NH+](C)C ZINC000867273570 642320383 /nfs/dbraw/zinc/32/03/83/642320383.db2.gz LCZAJUFTINYTTO-HSZRJFAPSA-N 0 3 376.548 0.861 20 0 GCADHN C[C@H]1NCCN(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H]1C ZINC000841808929 642321539 /nfs/dbraw/zinc/32/15/39/642321539.db2.gz QLFOHKYRIHCBCV-MNOVXSKESA-N 0 3 386.440 0.940 20 0 GCADHN COCCNCCNS(=O)(=O)c1cc(C(=O)OC)ccc1Br ZINC000842824838 642353160 /nfs/dbraw/zinc/35/31/60/642353160.db2.gz FZPWWKRVLYXBSC-UHFFFAOYSA-N 0 3 395.275 0.750 20 0 GCADHN CNC(=O)[C@H](O)CNC[C@H](O)COc1ccc(Cl)cc1Br ZINC000843112541 642364330 /nfs/dbraw/zinc/36/43/30/642364330.db2.gz ZHSVJQYQUSOTMT-GXSJLCMTSA-N 0 3 381.654 0.539 20 0 GCADHN C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000843475395 642371666 /nfs/dbraw/zinc/37/16/66/642371666.db2.gz QPESQNYGXCZWTA-WOPDTQHZSA-N 0 3 392.884 0.950 20 0 GCADHN CN(C)CCCS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000867368710 642410041 /nfs/dbraw/zinc/41/00/41/642410041.db2.gz WSCIDZQTNDGLIJ-CQSZACIVSA-N 0 3 379.523 0.884 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000867374532 642416325 /nfs/dbraw/zinc/41/63/25/642416325.db2.gz GGHOCONIZVDEAT-KBPBESRZSA-N 0 3 377.507 0.493 20 0 GCADHN CN1CC[C@H](CNS(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000867374535 642416383 /nfs/dbraw/zinc/41/63/83/642416383.db2.gz GGHOCONIZVDEAT-ZIAGYGMSSA-N 0 3 377.507 0.493 20 0 GCADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CCC(S(N)(=O)=O)CC2)C1 ZINC000846837244 642500508 /nfs/dbraw/zinc/50/05/08/642500508.db2.gz LHWABSHSWOYYGL-INIZCTEOSA-N 0 3 377.507 0.501 20 0 GCADHN CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000849468261 642664724 /nfs/dbraw/zinc/66/47/24/642664724.db2.gz LXHXKDGMAXOBNQ-HNNXBMFYSA-N 0 3 376.523 0.715 20 0 GCADHN CON(C)CCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000850480093 642681282 /nfs/dbraw/zinc/68/12/82/642681282.db2.gz JZYTUFKTMWQFKI-GFCCVEGCSA-N 0 3 379.504 0.556 20 0 GCADHN COc1cc(S(=O)(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cnc1Cl ZINC000850588574 642684137 /nfs/dbraw/zinc/68/41/37/642684137.db2.gz KSGCXJUCIKHDPG-NSHDSACASA-N 0 3 386.865 0.820 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@H](O)c2cccc(Br)c2)n1 ZINC000851678989 642731871 /nfs/dbraw/zinc/73/18/71/642731871.db2.gz QPHZKRGCHCEQQK-LBPRGKRZSA-N 0 3 396.245 0.936 20 0 GCADHN CN(CCn1cnc(Br)n1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000852104196 642751897 /nfs/dbraw/zinc/75/18/97/642751897.db2.gz DENVZSXKGSHJKX-SNVBAGLBSA-N 0 3 378.271 0.858 20 0 GCADHN CCOC(=O)[C@H]1NCC[C@@H]1NCCNC(=O)c1ccc(Br)cn1 ZINC000854219100 642818696 /nfs/dbraw/zinc/81/86/96/642818696.db2.gz LQLNGUZTVNCMSI-AAEUAGOBSA-N 0 3 385.262 0.457 20 0 GCADHN CN1CCN(CCNC(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1(C)C ZINC000854337012 642822254 /nfs/dbraw/zinc/82/22/54/642822254.db2.gz SOGSZILNCWCWRI-UHFFFAOYSA-N 0 3 388.921 0.894 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1ccc2ncc(I)n2c1 ZINC000854466356 642830138 /nfs/dbraw/zinc/83/01/38/642830138.db2.gz BGYBSCQLEHHOCZ-JTQLQIEISA-N 0 3 388.209 0.591 20 0 GCADHN COc1cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cnc1Br ZINC000855697698 642898620 /nfs/dbraw/zinc/89/86/20/642898620.db2.gz DLVILMJDWANHSZ-UHFFFAOYSA-N 0 3 387.278 0.945 20 0 GCADHN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000662946337 1192164700 /nfs/dbraw/zinc/16/47/00/1192164700.db2.gz RTWOVJQYFDNYFI-NSHDSACASA-N 0 3 394.453 0.376 20 0 GCADHN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662946411 1192164853 /nfs/dbraw/zinc/16/48/53/1192164853.db2.gz SQQQLWRHSKFXIJ-AWEZNQCLSA-N 0 3 386.391 0.175 20 0 GCADHN CN(CCN1C(=O)CCC1=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001027499137 1192168177 /nfs/dbraw/zinc/16/81/77/1192168177.db2.gz XCQOJRBBNVEZLL-GNRYUNBRSA-N 0 3 375.469 0.482 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](Oc4ccccc4)C3)C2)nn1 ZINC000662960712 1192171101 /nfs/dbraw/zinc/17/11/01/1192171101.db2.gz PYCRGPIZTYBBCO-SJLPKXTDSA-N 0 3 398.467 0.580 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000652292481 1192178988 /nfs/dbraw/zinc/17/89/88/1192178988.db2.gz TXDPPDHTHCFIHI-UHFFFAOYSA-N 0 3 386.449 0.356 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000652291398 1192179654 /nfs/dbraw/zinc/17/96/54/1192179654.db2.gz RGYBZXRYUFCYIK-UHFFFAOYSA-N 0 3 375.408 0.684 20 0 GCADHN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N(C)CCN2CCCCC2)c1 ZINC000652294208 1192180835 /nfs/dbraw/zinc/18/08/35/1192180835.db2.gz UZJBMEKLCNDPGZ-UHFFFAOYSA-N 0 3 376.457 0.938 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCc1nnnn1-c1ccccc1 ZINC000511899781 1192191299 /nfs/dbraw/zinc/19/12/99/1192191299.db2.gz YDWZJAUEIQCHTE-MRXNPFEDSA-N 0 3 386.504 0.530 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H]([C@H]3CCCCO3)C2)CC1 ZINC000661880563 1192191950 /nfs/dbraw/zinc/19/19/50/1192191950.db2.gz PNRDEZKHOFMBII-ZWKOTPCHSA-N 0 3 380.533 0.500 20 0 GCADHN CN(C)C1(C(=O)N2CC[C@H]2CN(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1 ZINC000978170164 1192202218 /nfs/dbraw/zinc/20/22/18/1192202218.db2.gz HYTBLZYGFMWVKE-LUKYLMHMSA-N 0 3 379.501 0.582 20 0 GCADHN CC(C)(CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)N1CCCCC1 ZINC000048799139 1192203951 /nfs/dbraw/zinc/20/39/51/1192203951.db2.gz NHHCXWNBLJWJNA-UHFFFAOYSA-N 0 3 376.457 0.870 20 0 GCADHN NS(=O)(=O)c1ccc(CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000661973264 1192208442 /nfs/dbraw/zinc/20/84/42/1192208442.db2.gz PRUOQLPEWWIGAA-INIZCTEOSA-N 0 3 396.513 0.429 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000661971900 1192208861 /nfs/dbraw/zinc/20/88/61/1192208861.db2.gz DEIXVECQLZBUAE-HZPDHXFCSA-N 0 3 393.509 0.870 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H]3C[C@H]3C2)CC1 ZINC000661975170 1192209920 /nfs/dbraw/zinc/20/99/20/1192209920.db2.gz JUGXUSRDCXQGAY-GJZGRUSLSA-N 0 3 382.486 0.466 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000661980502 1192211180 /nfs/dbraw/zinc/21/11/80/1192211180.db2.gz IFPZIZCBDGYEMZ-UKPHBRMFSA-N 0 3 390.488 0.466 20 0 GCADHN COCC(COC)N1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000661987172 1192211620 /nfs/dbraw/zinc/21/16/20/1192211620.db2.gz NVQUOOAJERYXCG-KRWDZBQOSA-N 0 3 384.521 0.228 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000661986440 1192212208 /nfs/dbraw/zinc/21/22/08/1192212208.db2.gz HELOOYPAMZKUON-PKOBYXMFSA-N 0 3 380.533 0.994 20 0 GCADHN Cc1cc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)ccc1S(N)(=O)=O ZINC000661985365 1192212299 /nfs/dbraw/zinc/21/22/99/1192212299.db2.gz RNYRKQWLOLQOHO-MRXNPFEDSA-N 0 3 396.513 0.695 20 0 GCADHN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000049278997 1192213749 /nfs/dbraw/zinc/21/37/49/1192213749.db2.gz JZIRBXIREHEMRO-UHFFFAOYSA-N 0 3 389.500 0.437 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(F)cc3nccnc32)CC1=O ZINC000647721274 1192216639 /nfs/dbraw/zinc/21/66/39/1192216639.db2.gz UJJWBCZCCNEIQN-AWEZNQCLSA-N 0 3 389.431 0.678 20 0 GCADHN CC(C)O[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000652431442 1192221273 /nfs/dbraw/zinc/22/12/73/1192221273.db2.gz QOMUULINCPWCKL-KRWDZBQOSA-N 0 3 394.516 0.169 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N2CC[C@@H](c3ccccc3F)C2)CC1=O ZINC000652440028 1192224520 /nfs/dbraw/zinc/22/45/20/1192224520.db2.gz PKYSGHPSXRJKFU-OAHLLOKOSA-N 0 3 390.459 0.374 20 0 GCADHN C[C@@H]1c2c(F)cccc2CCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652449208 1192225837 /nfs/dbraw/zinc/22/58/37/1192225837.db2.gz VIXGMWUOKKGOBU-CQSZACIVSA-N 0 3 390.459 0.504 20 0 GCADHN O=C1CCCN1C[C@@H]1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000662057468 1192226271 /nfs/dbraw/zinc/22/62/71/1192226271.db2.gz CDTUSDLIPJBOLF-NVXWUHKLSA-N 0 3 386.452 0.809 20 0 GCADHN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000662056137 1192226558 /nfs/dbraw/zinc/22/65/58/1192226558.db2.gz RWZOPZXSQQVEMF-IRXDYDNUSA-N 0 3 386.500 0.458 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000652463063 1192227688 /nfs/dbraw/zinc/22/76/88/1192227688.db2.gz NDJZLZHVUYJTRC-UHFFFAOYSA-N 0 3 377.464 0.814 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCOC3(C2)CCCCCC3)CC1=O ZINC000652468779 1192229280 /nfs/dbraw/zinc/22/92/80/1192229280.db2.gz RIDDANLRTCOTBV-UHFFFAOYSA-N 0 3 394.516 0.171 20 0 GCADHN CN(CCN1CCCCC1)C(=O)C(=O)N1CCSC[C@@H]1c1cnn(C)c1 ZINC000652479409 1192230065 /nfs/dbraw/zinc/23/00/65/1192230065.db2.gz JDWROGMBGRSHDZ-MRXNPFEDSA-N 0 3 379.530 0.981 20 0 GCADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000245839658 1192231702 /nfs/dbraw/zinc/23/17/02/1192231702.db2.gz JLEOHRGVNLNTBZ-CABCVRRESA-N 0 3 393.513 0.724 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)[C@H](CC)CO1 ZINC000652513202 1192234574 /nfs/dbraw/zinc/23/45/74/1192234574.db2.gz YAKIMRJMPTVGCH-IAGOWNOFSA-N 0 3 396.532 0.415 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)[C@H](C)CO1 ZINC000652516720 1192235169 /nfs/dbraw/zinc/23/51/69/1192235169.db2.gz FWBVMYMNMXZBQF-HZPDHXFCSA-N 0 3 382.505 0.025 20 0 GCADHN Cc1ncccc1CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000636673876 1192242569 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MSTGQFCTIMVVFM-CHWSQXEVSA-N 0 3 390.410 0.878 20 0 GCADHN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC(N3CCNC3=O)CC2)cc1 ZINC000051450038 1192280213 /nfs/dbraw/zinc/28/02/13/1192280213.db2.gz PXJFQTKJPZLWMP-KRWDZBQOSA-N 0 3 376.457 0.874 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000636716405 1192281515 /nfs/dbraw/zinc/28/15/15/1192281515.db2.gz OFJSLMYMANXBAR-RYUDHWBXSA-N 0 3 376.383 0.488 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H](n1cncn1)C(F)(F)F ZINC000636716404 1192281667 /nfs/dbraw/zinc/28/16/67/1192281667.db2.gz OFJSLMYMANXBAR-NWDGAFQWSA-N 0 3 376.383 0.488 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)O1 ZINC000979977009 1192296894 /nfs/dbraw/zinc/29/68/94/1192296894.db2.gz GJTLXIVRWQEORW-FGIIDVPQSA-N 0 3 375.473 0.243 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1cccc2c1CNC2 ZINC000662495439 1192307016 /nfs/dbraw/zinc/30/70/16/1192307016.db2.gz SGEJUNUIHRTHCO-UHFFFAOYSA-N 0 3 389.477 0.833 20 0 GCADHN O=C(c1cc2c(s1)CCNC2)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000662531874 1192311846 /nfs/dbraw/zinc/31/18/46/1192311846.db2.gz KMWNXNRQJZXZCY-AWEZNQCLSA-N 0 3 399.538 0.660 20 0 GCADHN N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCS(N)(=O)=O ZINC000662526360 1192310945 /nfs/dbraw/zinc/31/09/45/1192310945.db2.gz DLVJMOIMIMSRDF-KRWDZBQOSA-N 0 3 377.466 0.540 20 0 GCADHN CN(C)c1ncn(-c2cccc(NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)c2)n1 ZINC000662695887 1192328542 /nfs/dbraw/zinc/32/85/42/1192328542.db2.gz WEMQJWBJAKFFCC-INIZCTEOSA-N 0 3 397.483 0.872 20 0 GCADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000604172026 1192347338 /nfs/dbraw/zinc/34/73/38/1192347338.db2.gz YGADETMNNGCYML-GOSISDBHSA-N 0 3 395.548 0.293 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOC3(CNC3)C2)C(C)C)cc1 ZINC000663482879 1192354637 /nfs/dbraw/zinc/35/46/37/1192354637.db2.gz HEHYNHOELVSSJK-INIZCTEOSA-N 0 3 381.498 0.499 20 0 GCADHN C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000893620750 1192359732 /nfs/dbraw/zinc/35/97/32/1192359732.db2.gz LUGRKPYQXHSVHZ-RYQLBKOJSA-N 0 3 380.510 0.869 20 0 GCADHN CN(C)S(=O)(=O)c1ccccc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000663538334 1192378167 /nfs/dbraw/zinc/37/81/67/1192378167.db2.gz HBNQLWMKIVSWDJ-UHFFFAOYSA-N 0 3 380.514 0.681 20 0 GCADHN CC(=O)NC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)CCCC1 ZINC001719843871 1192376140 /nfs/dbraw/zinc/37/61/40/1192376140.db2.gz YAOTUOXFWCTIIP-IKGGRYGDSA-N 0 3 376.501 0.779 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C[C@@H](C)O1 ZINC000663543169 1192381750 /nfs/dbraw/zinc/38/17/50/1192381750.db2.gz IMWCSFBVGRAAAF-HZPDHXFCSA-N 0 3 385.553 0.536 20 0 GCADHN C[C@H]1CN(C(C)(C)CNC(=O)N(CCN(C)C)CC(=O)N(C)C)C[C@H](C)O1 ZINC000663543168 1192382085 /nfs/dbraw/zinc/38/20/85/1192382085.db2.gz IMWCSFBVGRAAAF-HOTGVXAUSA-N 0 3 385.553 0.536 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)cc1 ZINC000005739140 1192391507 /nfs/dbraw/zinc/39/15/07/1192391507.db2.gz IXKBDFNXMFDUBB-INIZCTEOSA-N 0 3 381.498 0.597 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)c2cnn(C[C@H](O)CO)c2)c1 ZINC000613931530 1192394690 /nfs/dbraw/zinc/39/46/90/1192394690.db2.gz OVGHORBEWJGQIF-KRWDZBQOSA-N 0 3 376.457 0.449 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)c1 ZINC000613931251 1192394967 /nfs/dbraw/zinc/39/49/67/1192394967.db2.gz LGKOMDVSSSMJIP-MRXNPFEDSA-N 0 3 398.529 0.501 20 0 GCADHN CC1CCN(CCNC(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000585716576 1192396194 /nfs/dbraw/zinc/39/61/94/1192396194.db2.gz RUOXUFSPYYYZTG-HNNXBMFYSA-N 0 3 383.489 0.404 20 0 GCADHN C[C@H](CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)NC(=O)c1ccccc1 ZINC000153203059 1192407154 /nfs/dbraw/zinc/40/71/54/1192407154.db2.gz VQFLZYBVNMKXDQ-AEFFLSMTSA-N 0 3 386.496 0.960 20 0 GCADHN Cc1nn(C)c2nc(C)cc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)c12 ZINC000153208539 1192410600 /nfs/dbraw/zinc/41/06/00/1192410600.db2.gz ZKYLJSALZVLLKL-MRXNPFEDSA-N 0 3 384.484 0.964 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCc1ccc2c(c1)COC2 ZINC000432385081 1192413320 /nfs/dbraw/zinc/41/33/20/1192413320.db2.gz DVMCVFZVKXXFBE-UHFFFAOYSA-N 0 3 376.501 0.906 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCCNC(C)=O)c(C)c2)CC1 ZINC000041855565 1192415496 /nfs/dbraw/zinc/41/54/96/1192415496.db2.gz ARASYBKABLTLQB-UHFFFAOYSA-N 0 3 389.500 0.718 20 0 GCADHN CCNC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nc[nH]c1C)C2 ZINC001719850850 1192421055 /nfs/dbraw/zinc/42/10/55/1192421055.db2.gz WWQBJASTLYJIHD-KBMXLJTQSA-N 0 3 375.473 0.815 20 0 GCADHN Cc1ccc(CN2CC[C@H](NC(=O)NCCNS(=O)(=O)N(C)C)C2)cc1 ZINC000637189771 1192422471 /nfs/dbraw/zinc/42/24/71/1192422471.db2.gz YKNCXRGEWRSAAP-INIZCTEOSA-N 0 3 383.518 0.265 20 0 GCADHN Cc1cccc([C@H](CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)N2CCOCC2)c1 ZINC000663621213 1192422779 /nfs/dbraw/zinc/42/27/79/1192422779.db2.gz UEPQCAUSVJSHHN-FHWLQOOXSA-N 0 3 376.501 0.685 20 0 GCADHN CC(C)C[C@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268110909 1192428175 /nfs/dbraw/zinc/42/81/75/1192428175.db2.gz KBZUPVJHNXRPMM-FPCVCCKLSA-N 0 3 380.489 0.663 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 ZINC000637203176 1192433588 /nfs/dbraw/zinc/43/35/88/1192433588.db2.gz PGUGEKLZDUCKSM-WDEREUQCSA-N 0 3 376.383 0.487 20 0 GCADHN CN(C)Cc1cccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC000981544712 1192442373 /nfs/dbraw/zinc/44/23/73/1192442373.db2.gz PGXGQQSKNUJVQC-LIRZEXBASA-N 0 3 386.496 0.884 20 0 GCADHN CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000981544081 1192441386 /nfs/dbraw/zinc/44/13/86/1192441386.db2.gz FAYBLTUBKLBOMY-NZPGVSJUSA-N 0 3 386.496 0.884 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(C)n(C)c2=O)CC1 ZINC000279033593 1192442878 /nfs/dbraw/zinc/44/28/78/1192442878.db2.gz NUBNJRGLLBNIDL-UHFFFAOYSA-N 0 3 377.489 0.389 20 0 GCADHN CCN1CCN(CCNC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)CC1 ZINC000279110961 1192468312 /nfs/dbraw/zinc/46/83/12/1192468312.db2.gz UWKRZVDYUMMBKF-GOSISDBHSA-N 0 3 381.542 0.959 20 0 GCADHN COc1ccc(COC[C@@H](O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000279140463 1192473020 /nfs/dbraw/zinc/47/30/20/1192473020.db2.gz XKUKATVKDHDNQN-LIRRHRJNSA-N 0 3 393.440 0.255 20 0 GCADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCN3CCCCC3)CC2)cn1C ZINC000050579556 1192485176 /nfs/dbraw/zinc/48/51/76/1192485176.db2.gz RCAQFMBETFJQJR-UHFFFAOYSA-N 0 3 397.545 0.731 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000429806195 1192488436 /nfs/dbraw/zinc/48/84/36/1192488436.db2.gz SBHXXZGCTNUZKK-UHFFFAOYSA-N 0 3 390.488 0.003 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000279233323 1192491573 /nfs/dbraw/zinc/49/15/73/1192491573.db2.gz RPCNDBPJWHWBHB-OAHLLOKOSA-N 0 3 396.513 0.462 20 0 GCADHN CCCc1csc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000279258930 1192495943 /nfs/dbraw/zinc/49/59/43/1192495943.db2.gz RUSQLNSRUPTMAT-AWEZNQCLSA-N 0 3 393.513 0.799 20 0 GCADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000637283863 1192502998 /nfs/dbraw/zinc/50/29/98/1192502998.db2.gz CIXWZZWRJFKKRJ-BZUAXINKSA-N 0 3 388.534 0.399 20 0 GCADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000981909152 1192504925 /nfs/dbraw/zinc/50/49/25/1192504925.db2.gz AHJODQPGLUCSSF-YESZJQIVSA-N 0 3 375.473 0.254 20 0 GCADHN CCCC(=O)N1CSC[C@H]1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000432525950 1192508756 /nfs/dbraw/zinc/50/87/56/1192508756.db2.gz WZOPGEHKWXVLHO-INIZCTEOSA-N 0 3 386.562 0.194 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1cc2c([nH]c1=O)CCCC2 ZINC000432523854 1192509729 /nfs/dbraw/zinc/50/97/29/1192509729.db2.gz ADGNRXRRHAXUBB-UHFFFAOYSA-N 0 3 376.501 0.786 20 0 GCADHN CN(C)[C@H]1CN(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)C[C@@H]1O ZINC000663721572 1192513005 /nfs/dbraw/zinc/51/30/05/1192513005.db2.gz ANQSGBVZOOYPKB-OALUTQOASA-N 0 3 388.512 0.927 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000408365909 1192513353 /nfs/dbraw/zinc/51/33/53/1192513353.db2.gz LZUAVPRHICOZSU-JYJNAYRXSA-N 0 3 390.550 0.071 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC(=O)NC(C)C)c2)CC1 ZINC000473236639 1192516277 /nfs/dbraw/zinc/51/62/77/1192516277.db2.gz BUPQKFKBGGNYPF-UHFFFAOYSA-N 0 3 375.473 0.408 20 0 GCADHN CC[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccccc1OCC(=O)NC ZINC000663734314 1192517335 /nfs/dbraw/zinc/51/73/35/1192517335.db2.gz MOBRILIJRBOJQJ-JYJNAYRXSA-N 0 3 378.473 0.579 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(c2noc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000663739407 1192517974 /nfs/dbraw/zinc/51/79/74/1192517974.db2.gz LHOQCSKTYBASGR-AWEZNQCLSA-N 0 3 393.469 0.394 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)c1ccc(N2CCCC2)nc1 ZINC000432529267 1192529716 /nfs/dbraw/zinc/52/97/16/1192529716.db2.gz XQAMFGZIHLTLTD-UHFFFAOYSA-N 0 3 375.517 0.802 20 0 GCADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cn1c2ccccc2c(=O)[nH]c1=O ZINC000279390997 1192535547 /nfs/dbraw/zinc/53/55/47/1192535547.db2.gz YTWUYELRIWGJGM-AWEZNQCLSA-N 0 3 386.452 0.814 20 0 GCADHN C[C@@H]1CN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H](C2CC2)O1 ZINC000279391127 1192535804 /nfs/dbraw/zinc/53/58/04/1192535804.db2.gz UHFPWEJCSRVXED-RDTXWAMCSA-N 0 3 395.525 0.882 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)F)CC1=O ZINC000432532444 1192536217 /nfs/dbraw/zinc/53/62/17/1192536217.db2.gz WPYWTWICPYNPED-INMHGKMJSA-N 0 3 383.439 0.750 20 0 GCADHN O=C(Cn1c(=O)[nH]c2ccccc21)NCCCCN1CCN(CCO)CC1 ZINC000432541582 1192547518 /nfs/dbraw/zinc/54/75/18/1192547518.db2.gz KCQCJTZFNGRVFE-UHFFFAOYSA-N 0 3 375.473 0.248 20 0 GCADHN CC(C)[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000432543257 1192548655 /nfs/dbraw/zinc/54/86/55/1192548655.db2.gz SRTDDJAYCMJZGI-AQNXPRMDSA-N 0 3 398.592 0.627 20 0 GCADHN CC(C)[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000432543260 1192548777 /nfs/dbraw/zinc/54/87/77/1192548777.db2.gz SRTDDJAYCMJZGI-ZCNNSNEGSA-N 0 3 398.592 0.627 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000432548315 1192551352 /nfs/dbraw/zinc/55/13/52/1192551352.db2.gz XFGZRCRXQQXTFG-KRWDZBQOSA-N 0 3 380.533 0.284 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC(=O)N3CCCC3)c2)CC1 ZINC000473242144 1192564741 /nfs/dbraw/zinc/56/47/41/1192564741.db2.gz UNUAERHNZCGZNG-UHFFFAOYSA-N 0 3 387.484 0.506 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2ccc([S@](C)=O)cc2)CC1 ZINC000120426541 1192567020 /nfs/dbraw/zinc/56/70/20/1192567020.db2.gz WQXGPNYPWSJCHT-CBZJRKILSA-N 0 3 392.525 0.872 20 0 GCADHN CC1(C)CN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H]1O ZINC000279739192 1192596223 /nfs/dbraw/zinc/59/62/23/1192596223.db2.gz KJMRHALVOGITHZ-KRWDZBQOSA-N 0 3 384.498 0.789 20 0 GCADHN C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000549662940 1192600585 /nfs/dbraw/zinc/60/05/85/1192600585.db2.gz SGCNFKLPTIQBEQ-YOEHRIQHSA-N 0 3 384.502 0.109 20 0 GCADHN CNC(=O)C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccccc1 ZINC000888939425 1192603660 /nfs/dbraw/zinc/60/36/60/1192603660.db2.gz OETMQOQIMRLSDK-GDBMZVCRSA-N 0 3 375.473 0.625 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC(=O)NC(C)(C)C)c2)CC1 ZINC000473246451 1192611645 /nfs/dbraw/zinc/61/16/45/1192611645.db2.gz VHSBKQWEACNNNG-UHFFFAOYSA-N 0 3 389.500 0.798 20 0 GCADHN O=C(NC1CC1)C(=O)N1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418629202 1192620818 /nfs/dbraw/zinc/62/08/18/1192620818.db2.gz DHCAWVQQOQEVQN-KRWDZBQOSA-N 0 3 385.468 0.006 20 0 GCADHN C[C@]1(C2CCN(C(=O)NC[C@H]3NCCc4ccccc43)CC2)NC(=O)NC1=O ZINC000418647373 1192623570 /nfs/dbraw/zinc/62/35/70/1192623570.db2.gz XWNTTYVJWHBVFA-OXQOHEQNSA-N 0 3 385.468 0.893 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](CO)CN2CCCCC2)cc1C ZINC000512364445 1192633080 /nfs/dbraw/zinc/63/30/80/1192633080.db2.gz GTMOJYQHUKJJKS-KRWDZBQOSA-N 0 3 397.541 0.935 20 0 GCADHN O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)NC[C@@H]1CNCCO1 ZINC000418766506 1192640976 /nfs/dbraw/zinc/64/09/76/1192640976.db2.gz MWBNUYUFSBZQLD-OCCSQVGLSA-N 0 3 377.363 0.733 20 0 GCADHN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000418774335 1192642147 /nfs/dbraw/zinc/64/21/47/1192642147.db2.gz VDZDSBJNHTZGJT-MJGOQNOKSA-N 0 3 376.501 0.907 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H](CO)CN2CCCCC2)c1 ZINC000512389673 1192642808 /nfs/dbraw/zinc/64/28/08/1192642808.db2.gz PZJUZPZPBLUQTJ-KRWDZBQOSA-N 0 3 397.541 0.935 20 0 GCADHN Cc1ccccc1C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000418787366 1192644093 /nfs/dbraw/zinc/64/40/93/1192644093.db2.gz UEYPIELMABDXTD-QAPCUYQASA-N 0 3 384.484 0.956 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](CO)CN1CCCCC1)C2=O ZINC000512394805 1192645269 /nfs/dbraw/zinc/64/52/69/1192645269.db2.gz KNNVXKXCIIWJGV-NGEICVOHSA-N 0 3 394.516 0.840 20 0 GCADHN CCN(CC)[C@H](CNC(=O)NCCN1CCNC(=O)C1)c1cccc(OC)c1 ZINC000512396141 1192645321 /nfs/dbraw/zinc/64/53/21/1192645321.db2.gz IOXXAMJWYHWHMW-GOSISDBHSA-N 0 3 391.516 0.809 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000418798734 1192648419 /nfs/dbraw/zinc/64/84/19/1192648419.db2.gz VTEUQASLFSOEBL-CHWSQXEVSA-N 0 3 398.410 0.088 20 0 GCADHN O=C(CCCNC(=O)C(=O)NC[C@@H]1CNCCO1)Nc1ccc(Cl)cc1 ZINC000418810227 1192653628 /nfs/dbraw/zinc/65/36/28/1192653628.db2.gz GUYHOIYJMGMSNN-AWEZNQCLSA-N 0 3 382.848 0.280 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)C(=O)N1Cc2ccccc2C1 ZINC000418820950 1192653926 /nfs/dbraw/zinc/65/39/26/1192653926.db2.gz FXWUBKAHAPTRGX-XEZPLFJOSA-N 0 3 388.468 0.263 20 0 GCADHN C[C@@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)C(=O)N1Cc2ccccc2C1 ZINC000418820951 1192654143 /nfs/dbraw/zinc/65/41/43/1192654143.db2.gz FXWUBKAHAPTRGX-XJKCOSOUSA-N 0 3 388.468 0.263 20 0 GCADHN CCOCCOc1cc(C)ccc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000418830291 1192655882 /nfs/dbraw/zinc/65/58/82/1192655882.db2.gz UADXSTPYGJSTAB-INIZCTEOSA-N 0 3 379.457 0.131 20 0 GCADHN CS(=O)(=O)C1(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CCC1 ZINC000418828057 1192657781 /nfs/dbraw/zinc/65/77/81/1192657781.db2.gz MDKRWHAZAPGXCH-DZGCQCFKSA-N 0 3 397.472 0.162 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)N(C)C ZINC000418831501 1192659265 /nfs/dbraw/zinc/65/92/65/1192659265.db2.gz GKXFSTJKDQDFDB-KBMXLJTQSA-N 0 3 392.500 0.643 20 0 GCADHN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)N1CCCNCC1 ZINC000418840909 1192663343 /nfs/dbraw/zinc/66/33/43/1192663343.db2.gz YLRMFIGKIHSDRD-KRWDZBQOSA-N 0 3 378.448 0.137 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc2c1OCCCO2 ZINC000418845240 1192664331 /nfs/dbraw/zinc/66/43/31/1192664331.db2.gz NXWARZHFWSWYOA-OCCSQVGLSA-N 0 3 377.441 0.693 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc2c1OCCCO2 ZINC000418845239 1192664396 /nfs/dbraw/zinc/66/43/96/1192664396.db2.gz NXWARZHFWSWYOA-JSGCOSHPSA-N 0 3 377.441 0.693 20 0 GCADHN CC(=O)Nc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000279916611 1192665103 /nfs/dbraw/zinc/66/51/03/1192665103.db2.gz FSFXVKITCMDOOB-MRXNPFEDSA-N 0 3 388.472 0.488 20 0 GCADHN CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccccc1Cl ZINC000418857162 1192668809 /nfs/dbraw/zinc/66/88/09/1192668809.db2.gz YMQUVAOYMKFIAP-WMLDXEAASA-N 0 3 396.919 0.944 20 0 GCADHN COc1cccc([C@@H](CNC(=O)C(=O)NCC(F)(F)CN)N2CCCC2)c1 ZINC000418881292 1192678116 /nfs/dbraw/zinc/67/81/16/1192678116.db2.gz WYIVKHPKIYERBG-OAHLLOKOSA-N 0 3 384.427 0.659 20 0 GCADHN CCS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000418896396 1192680248 /nfs/dbraw/zinc/68/02/48/1192680248.db2.gz VBSZPIMZZIESAP-WFASDCNBSA-N 0 3 397.497 0.326 20 0 GCADHN COCCNC(=O)c1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC000500639757 1192682921 /nfs/dbraw/zinc/68/29/21/1192682921.db2.gz LSOQMCIZISNZQT-UHFFFAOYSA-N 0 3 376.457 0.554 20 0 GCADHN NCc1cn([C@@H]2CCCN(C(=O)C(=O)NCCc3cccc(Cl)c3)C2)nn1 ZINC000418902666 1192684069 /nfs/dbraw/zinc/68/40/69/1192684069.db2.gz REAKXVDBXDFKJM-MRXNPFEDSA-N 0 3 390.875 0.913 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccccc1Cn1ccnc1 ZINC000418910329 1192687015 /nfs/dbraw/zinc/68/70/15/1192687015.db2.gz ULDXTZZJLYLXLY-YOEHRIQHSA-N 0 3 385.468 0.777 20 0 GCADHN CC(C)CC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)c1 ZINC000418926289 1192693417 /nfs/dbraw/zinc/69/34/17/1192693417.db2.gz UNXXKFACPJNLFY-INIZCTEOSA-N 0 3 376.457 0.392 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000418933060 1192694740 /nfs/dbraw/zinc/69/47/40/1192694740.db2.gz IPRPSXVZDBEBDB-RHSMWYFYSA-N 0 3 385.468 0.777 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCN(C)c1ccccc1F ZINC000418937690 1192697513 /nfs/dbraw/zinc/69/75/13/1192697513.db2.gz OWXDXQVSJQJRRF-HIFRSBDPSA-N 0 3 380.464 0.997 20 0 GCADHN COc1cc(CN2CC[C@H](NC(=O)C(=O)N3CCCNCC3)C2)cc(OC)c1 ZINC000418957955 1192702064 /nfs/dbraw/zinc/70/20/64/1192702064.db2.gz FKTGIXBUMRTFCN-INIZCTEOSA-N 0 3 390.484 0.216 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(C)CC[C@H]2C)[C@H](C)O)cc1 ZINC000500681473 1192702201 /nfs/dbraw/zinc/70/22/01/1192702201.db2.gz OGBXNVPRFDRZKZ-VYDXJSESSA-N 0 3 383.514 0.575 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000418973248 1192706286 /nfs/dbraw/zinc/70/62/86/1192706286.db2.gz QGPVXHRXAYSFNA-AAEUAGOBSA-N 0 3 375.429 0.087 20 0 GCADHN CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCCNCC1 ZINC000236643891 1192712438 /nfs/dbraw/zinc/71/24/38/1192712438.db2.gz VLIAPMHQUTVEKH-HNNXBMFYSA-N 0 3 378.498 0.962 20 0 GCADHN N[C@H](CNC(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000419009471 1192715083 /nfs/dbraw/zinc/71/50/83/1192715083.db2.gz NKLYSUYQJQALHB-UXHICEINSA-N 0 3 396.491 0.992 20 0 GCADHN N[C@H](CNC(=O)C(=O)N[C@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000419009473 1192715526 /nfs/dbraw/zinc/71/55/26/1192715526.db2.gz NKLYSUYQJQALHB-WOJBJXKFSA-N 0 3 396.491 0.992 20 0 GCADHN CSc1ccc(CNC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000419015907 1192719952 /nfs/dbraw/zinc/71/99/52/1192719952.db2.gz NRXZUTQOFZSWTG-HNNXBMFYSA-N 0 3 388.497 0.939 20 0 GCADHN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c(OC)c1 ZINC000419016946 1192723165 /nfs/dbraw/zinc/72/31/65/1192723165.db2.gz GFPWBUORJYJCCV-WFASDCNBSA-N 0 3 379.457 0.592 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)NCCCOc3ccccc3)C2)nn1 ZINC000419023939 1192725592 /nfs/dbraw/zinc/72/55/92/1192725592.db2.gz WXZINOLBLGWLDU-INIZCTEOSA-N 0 3 386.456 0.486 20 0 GCADHN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000419032156 1192731556 /nfs/dbraw/zinc/73/15/56/1192731556.db2.gz JNGPCXCIUGYDBY-RPVQJOFSSA-N 0 3 382.468 0.950 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000419043931 1192738149 /nfs/dbraw/zinc/73/81/49/1192738149.db2.gz ONYMZLPVMDKMGT-AAEUAGOBSA-N 0 3 384.839 0.279 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000419043933 1192738175 /nfs/dbraw/zinc/73/81/75/1192738175.db2.gz ONYMZLPVMDKMGT-WCQYABFASA-N 0 3 384.839 0.279 20 0 GCADHN O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N1CCCNCC1 ZINC000419047850 1192743077 /nfs/dbraw/zinc/74/30/77/1192743077.db2.gz AKOWAZVFTJNJFU-AWEZNQCLSA-N 0 3 382.823 0.523 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccccc1 ZINC000419059985 1192755438 /nfs/dbraw/zinc/75/54/38/1192755438.db2.gz SIHUFRYOECISOK-IRXDYDNUSA-N 0 3 384.411 0.863 20 0 GCADHN Cc1cccc2c1CN(C(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)CC2 ZINC000410614797 1192757534 /nfs/dbraw/zinc/75/75/34/1192757534.db2.gz LYDFAVUFHDMATG-UHFFFAOYSA-N 0 3 398.507 0.646 20 0 GCADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C[C@@H](C)O1 ZINC000419062814 1192758784 /nfs/dbraw/zinc/75/87/84/1192758784.db2.gz HDXQPTWAWOHTMK-BFYDXBDKSA-N 0 3 376.501 0.807 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000410621951 1192762174 /nfs/dbraw/zinc/76/21/74/1192762174.db2.gz NAXXICPBAHVCAE-GDBMZVCRSA-N 0 3 376.457 0.501 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)[C@H](C)CN1 ZINC000419067154 1192762730 /nfs/dbraw/zinc/76/27/30/1192762730.db2.gz FWVCCCAMQDLWAZ-ZACQAIPSSA-N 0 3 388.512 0.732 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccccc1Cn1cccn1 ZINC000419068880 1192765588 /nfs/dbraw/zinc/76/55/88/1192765588.db2.gz MGFSJRNDKQCIGB-RHSMWYFYSA-N 0 3 385.468 0.777 20 0 GCADHN CN(C)[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccnc1)Cc1ccccc1 ZINC000106272222 1192766723 /nfs/dbraw/zinc/76/67/23/1192766723.db2.gz MLKYURIJUIFZLS-KRWDZBQOSA-N 0 3 390.509 0.991 20 0 GCADHN N[C@H](CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000237850211 1192766888 /nfs/dbraw/zinc/76/68/88/1192766888.db2.gz CERBJTFSPZSSSK-QGZVFWFLSA-N 0 3 382.468 0.722 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000500768705 1192768790 /nfs/dbraw/zinc/76/87/90/1192768790.db2.gz VNVXADYXOIQATJ-HOCLYGCPSA-N 0 3 376.457 0.813 20 0 GCADHN CN(C)CCN(Cc1ccccn1)C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000500772532 1192770691 /nfs/dbraw/zinc/77/06/91/1192770691.db2.gz INBGEBMTLVYRDI-UHFFFAOYSA-N 0 3 391.497 0.735 20 0 GCADHN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419074963 1192772707 /nfs/dbraw/zinc/77/27/07/1192772707.db2.gz NTKRRNPCIBSTEK-HNNXBMFYSA-N 0 3 388.399 0.734 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCCC[C@H]2C[C@@H](C)O)CC1 ZINC000410634000 1192775139 /nfs/dbraw/zinc/77/51/39/1192775139.db2.gz IODCQXCXLLFJOK-SJORKVTESA-N 0 3 396.532 0.151 20 0 GCADHN Cc1ccc(C[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)c2ccccn2)cc1 ZINC000419079554 1192775972 /nfs/dbraw/zinc/77/59/72/1192775972.db2.gz NENXGVUFXZGJKZ-MJGOQNOKSA-N 0 3 382.464 0.895 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000509723540 1192780188 /nfs/dbraw/zinc/78/01/88/1192780188.db2.gz FWAVSYMKJOSGET-UHFFFAOYSA-N 0 3 376.501 0.728 20 0 GCADHN CCN(CC)[C@@H](CNC(=O)N1CCO[C@@H](C(N)=O)C1)c1cccc(OC)c1 ZINC000051680671 1192781412 /nfs/dbraw/zinc/78/14/12/1192781412.db2.gz NLFSUDHRRBVERX-DLBZAZTESA-N 0 3 378.473 0.974 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000419085482 1192782275 /nfs/dbraw/zinc/78/22/75/1192782275.db2.gz ZXBOFRCLXOJVGC-ZWNOBZJWSA-N 0 3 398.410 0.040 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000419085473 1192782485 /nfs/dbraw/zinc/78/24/85/1192782485.db2.gz ZXBOFRCLXOJVGC-GWCFXTLKSA-N 0 3 398.410 0.040 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000419085477 1192782808 /nfs/dbraw/zinc/78/28/08/1192782808.db2.gz ZXBOFRCLXOJVGC-GXFFZTMASA-N 0 3 398.410 0.040 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000051684356 1192784356 /nfs/dbraw/zinc/78/43/56/1192784356.db2.gz ARSYEHIPIBKBKB-SFHVURJKSA-N 0 3 389.500 0.220 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000419102340 1192786310 /nfs/dbraw/zinc/78/63/10/1192786310.db2.gz FBFUBGSOTUHEIW-BLLLJJGKSA-N 0 3 380.464 0.733 20 0 GCADHN CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000419093006 1192787335 /nfs/dbraw/zinc/78/73/35/1192787335.db2.gz WWJZFWNVRMNKBP-CORIIIEPSA-N 0 3 385.461 0.018 20 0 GCADHN CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H](N)c3ccccc3)C2)ncn1 ZINC000419092923 1192787367 /nfs/dbraw/zinc/78/73/67/1192787367.db2.gz IFYOABNKFBAFCJ-MSOLQXFVSA-N 0 3 396.495 0.940 20 0 GCADHN C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000419093530 1192787607 /nfs/dbraw/zinc/78/76/07/1192787607.db2.gz YGJUDOIAUDUDQX-MLGOLLRUSA-N 0 3 377.466 0.505 20 0 GCADHN COc1ccc(OC)c(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419106392 1192792964 /nfs/dbraw/zinc/79/29/64/1192792964.db2.gz OLVXXTQQMAZEAJ-SWLSCSKDSA-N 0 3 379.457 0.592 20 0 GCADHN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000419122256 1192794866 /nfs/dbraw/zinc/79/48/66/1192794866.db2.gz WLEMYBAFZDULQN-DOTOQJQBSA-N 0 3 395.525 0.989 20 0 GCADHN N[C@H](CNC(=O)C(=O)NCC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000419122813 1192795317 /nfs/dbraw/zinc/79/53/17/1192795317.db2.gz GCSCWTVECVGBFR-QGZVFWFLSA-N 0 3 380.448 0.898 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1=O ZINC000500804291 1192795454 /nfs/dbraw/zinc/79/54/54/1192795454.db2.gz JBOLGRSNIXYYCT-IAGOWNOFSA-N 0 3 390.484 0.623 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3OC)CC2)CCO1 ZINC000410665099 1192797482 /nfs/dbraw/zinc/79/74/82/1192797482.db2.gz UUXGQXDBKNDPNX-OAHLLOKOSA-N 0 3 376.457 0.766 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCNC(=O)c1ccc(Cl)cc1 ZINC000419127706 1192798022 /nfs/dbraw/zinc/79/80/22/1192798022.db2.gz SBGYQHRFBKYCIL-FZMZJTMJSA-N 0 3 396.875 0.415 20 0 GCADHN CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)N[C@@H](CN)CC(C)C ZINC000419118259 1192801892 /nfs/dbraw/zinc/80/18/92/1192801892.db2.gz QYCYDDKEBCHVRA-HUUCEWRRSA-N 0 3 383.514 0.845 20 0 GCADHN COc1cc2c(cc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)O[C@H](C)C2 ZINC000419119060 1192803105 /nfs/dbraw/zinc/80/31/05/1192803105.db2.gz AUBZKFHQEOHNDS-JMSVASOKSA-N 0 3 391.468 0.864 20 0 GCADHN COc1cnccc1N1CCN(C(=O)C(=O)N2CCOC(C)(C)[C@H]2C)CC1 ZINC000410669110 1192804259 /nfs/dbraw/zinc/80/42/59/1192804259.db2.gz NZWQEBKSWRFEIV-CQSZACIVSA-N 0 3 376.457 0.765 20 0 GCADHN CCSCC[C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000500826122 1192811182 /nfs/dbraw/zinc/81/11/82/1192811182.db2.gz HUTALXURJYXHMY-HNNXBMFYSA-N 0 3 384.546 0.401 20 0 GCADHN COc1ccc(CCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000419144551 1192813701 /nfs/dbraw/zinc/81/37/01/1192813701.db2.gz FRXKHHALBRKOPY-HIFRSBDPSA-N 0 3 393.484 0.982 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000419158372 1192817120 /nfs/dbraw/zinc/81/71/20/1192817120.db2.gz MUHACIXTBYQCEP-ZFWWWQNUSA-N 0 3 397.497 0.196 20 0 GCADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1F ZINC000419158243 1192816903 /nfs/dbraw/zinc/81/69/03/1192816903.db2.gz DOQGBTLJWDAWPD-DOMZBBRYSA-N 0 3 394.447 0.209 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)N3CCOC[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000410683303 1192817321 /nfs/dbraw/zinc/81/73/21/1192817321.db2.gz NQPNOFIMVYJBLU-ULQDDVLXSA-N 0 3 381.517 0.829 20 0 GCADHN COc1ccc(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2CNCCO2)cc1OC ZINC000419158944 1192818159 /nfs/dbraw/zinc/81/81/59/1192818159.db2.gz WUVNKBFRJBXEJO-UKRRQHHQSA-N 0 3 379.457 0.103 20 0 GCADHN CC(C)CSCCCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419162372 1192820198 /nfs/dbraw/zinc/82/01/98/1192820198.db2.gz HCCRRRYCJIKXSJ-OAHLLOKOSA-N 0 3 382.534 0.796 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000419167079 1192823568 /nfs/dbraw/zinc/82/35/68/1192823568.db2.gz CHQLESYVWBTFCP-NILFDRSVSA-N 0 3 398.454 0.913 20 0 GCADHN CSCC[C@@H](C)N(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000410695591 1192830886 /nfs/dbraw/zinc/83/08/86/1192830886.db2.gz UDUSAGXJYCSQTM-CABCVRRESA-N 0 3 384.546 0.351 20 0 GCADHN CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000410697834 1192840278 /nfs/dbraw/zinc/84/02/78/1192840278.db2.gz MACKPSIAXDCWSR-LJQANCHMSA-N 0 3 394.560 0.746 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCC(F)(F)C2)CC1 ZINC000512528452 1192840795 /nfs/dbraw/zinc/84/07/95/1192840795.db2.gz GSZGGPIMNZALEM-AWEZNQCLSA-N 0 3 386.443 0.305 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000893741315 1192847779 /nfs/dbraw/zinc/84/77/79/1192847779.db2.gz OIVKKGAIBJFGCN-DLBZAZTESA-N 0 3 382.505 0.255 20 0 GCADHN CCNC(=O)c1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1 ZINC000419205317 1192854218 /nfs/dbraw/zinc/85/42/18/1192854218.db2.gz JWDLXCWNTUXWER-SWLSCSKDSA-N 0 3 376.457 0.282 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000663850580 1192856312 /nfs/dbraw/zinc/85/63/12/1192856312.db2.gz ZWLNGNZVJOQQJH-MRXNPFEDSA-N 0 3 383.518 0.389 20 0 GCADHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cn1 ZINC000419206592 1192858718 /nfs/dbraw/zinc/85/87/18/1192858718.db2.gz NANAREJROFMWMO-UKRRQHHQSA-N 0 3 377.489 0.773 20 0 GCADHN CCN1CCN(c2nc(C(N)=O)cc(N3CCN(CC)C[C@@H]3C)n2)[C@H](C)C1 ZINC000893825234 1192863863 /nfs/dbraw/zinc/86/38/63/1192863863.db2.gz CUTLZNVEKVCWEQ-LSDHHAIUSA-N 0 3 375.521 0.636 20 0 GCADHN CCN(CC)CC(=O)N1CCN(Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000728930648 1192863220 /nfs/dbraw/zinc/86/32/20/1192863220.db2.gz ZQONZQCBAPEQTA-UHFFFAOYSA-N 0 3 386.518 0.516 20 0 GCADHN C[C@@H](NC(=O)CCNC(=O)Cc1ccccc1)C(=O)NCCN1CCCCC1 ZINC000549743206 1192866776 /nfs/dbraw/zinc/86/67/76/1192866776.db2.gz FULOPCBRTDGMJU-QGZVFWFLSA-N 0 3 388.512 0.842 20 0 GCADHN C[C@@H](O)CN1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)[C@H](C)C1 ZINC000473374333 1192880447 /nfs/dbraw/zinc/88/04/47/1192880447.db2.gz AEWRMZKIKOELAS-ZIAGYGMSSA-N 0 3 386.452 0.171 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCCN(C)C3=O)c2)CC1 ZINC000473378797 1192881172 /nfs/dbraw/zinc/88/11/72/1192881172.db2.gz ZTTAYOSLBSIAEK-KRWDZBQOSA-N 0 3 387.484 0.504 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](CCO)CSC)c2)CC1 ZINC000473377851 1192881194 /nfs/dbraw/zinc/88/11/94/1192881194.db2.gz DKFBVROXNDYESW-INIZCTEOSA-N 0 3 394.541 0.997 20 0 GCADHN CN(C1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1)S(C)(=O)=O ZINC000408423289 1192884523 /nfs/dbraw/zinc/88/45/23/1192884523.db2.gz OXSGPXQVANLXQX-UHFFFAOYSA-N 0 3 389.566 0.078 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)Cn3cccn3)C2)CC1 ZINC000549808549 1192888432 /nfs/dbraw/zinc/88/84/32/1192888432.db2.gz GPLKIWBWBHJIHH-IAGOWNOFSA-N 0 3 376.505 0.015 20 0 GCADHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000332779822 1192903711 /nfs/dbraw/zinc/90/37/11/1192903711.db2.gz DQVVVVCHEQLCEC-IAGOWNOFSA-N 0 3 393.532 0.726 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCC[C@](C)(O)C2)c1 ZINC000410877670 1192910866 /nfs/dbraw/zinc/91/08/66/1192910866.db2.gz SHLZKGZGYBXPTN-FQEVSTJZSA-N 0 3 377.485 0.959 20 0 GCADHN O=C1N[C@H](CN2CCCCC2)C(=O)N1C[C@@H](N1CCOCC1)C(F)(F)F ZINC000924862545 1192910936 /nfs/dbraw/zinc/91/09/36/1192910936.db2.gz WKKYECFEYIODMJ-CHWSQXEVSA-N 0 3 378.395 0.656 20 0 GCADHN CC[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(=O)N(C)CC(F)(F)F ZINC001481835352 1192914699 /nfs/dbraw/zinc/91/46/99/1192914699.db2.gz YWWHRCBISZOAHC-VPLWTHEFSA-N 0 3 377.407 0.915 20 0 GCADHN C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)N3CCN[C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000419218200 1192918155 /nfs/dbraw/zinc/91/81/55/1192918155.db2.gz RUJBDPZYWVJMNK-GVDBMIGSSA-N 0 3 388.512 0.732 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)CCN1 ZINC000419218204 1192918206 /nfs/dbraw/zinc/91/82/06/1192918206.db2.gz RUJBDPZYWVJMNK-ZACQAIPSSA-N 0 3 388.512 0.732 20 0 GCADHN C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)N3CCN[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000419218203 1192918249 /nfs/dbraw/zinc/91/82/49/1192918249.db2.gz RUJBDPZYWVJMNK-YESZJQIVSA-N 0 3 388.512 0.732 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@@H](C)C2)CC1 ZINC000410942615 1192918390 /nfs/dbraw/zinc/91/83/90/1192918390.db2.gz GJEJFBKURNLNGI-IAGOWNOFSA-N 0 3 380.533 0.894 20 0 GCADHN COC[C@H](C)n1ccc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000432966995 1192921198 /nfs/dbraw/zinc/92/11/98/1192921198.db2.gz WCSWWJYVPMSXGQ-LSDHHAIUSA-N 0 3 380.493 1.155 20 0 GCADHN CCN(CCNCC(=O)N1CCOC[C@H]1C1CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001268470396 1192924674 /nfs/dbraw/zinc/92/46/74/1192924674.db2.gz MKTKYXQKWTURPU-GZKCFLEVSA-N 0 3 391.512 0.485 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCCC(=O)N(C)C)c2)CC1 ZINC000274497435 1184077655 /nfs/dbraw/zinc/07/76/55/1184077655.db2.gz IOXJLQTZKOWICG-UHFFFAOYSA-N 0 3 389.500 0.752 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000274503030 1184078868 /nfs/dbraw/zinc/07/88/68/1184078868.db2.gz FNAXVOCUPLZAML-HNNXBMFYSA-N 0 3 389.452 0.506 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNC(=O)c1cccc(O)c1 ZINC000274512689 1184082817 /nfs/dbraw/zinc/08/28/17/1184082817.db2.gz QZUDTRWNMIQTSS-INIZCTEOSA-N 0 3 376.457 0.181 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC3CN(C(=O)OC)C3)c2)CC1 ZINC000274536941 1184090979 /nfs/dbraw/zinc/09/09/79/1184090979.db2.gz QVYIAJOWESVVCU-UHFFFAOYSA-N 0 3 389.456 0.334 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCCCNC3=O)c2)CC1 ZINC000274538538 1184091882 /nfs/dbraw/zinc/09/18/82/1184091882.db2.gz RDVRRWBZRDFWNT-QGZVFWFLSA-N 0 3 387.484 0.552 20 0 GCADHN CCOC(=O)c1ccccc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000274543129 1184093003 /nfs/dbraw/zinc/09/30/03/1184093003.db2.gz SEBQZAHNEPOJAJ-HNNXBMFYSA-N 0 3 390.484 0.944 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)CC(=O)OC)c2)CC1 ZINC000274545973 1184093959 /nfs/dbraw/zinc/09/39/59/1184093959.db2.gz SWXFABHFMGKXDI-CQSZACIVSA-N 0 3 376.457 0.835 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)c2)CC1 ZINC000274552039 1184095742 /nfs/dbraw/zinc/09/57/42/1184095742.db2.gz VDYRQJNOZQLUHP-UHFFFAOYSA-N 0 3 387.484 0.491 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000274555128 1184098268 /nfs/dbraw/zinc/09/82/68/1184098268.db2.gz IAEQJEUUXDPSPZ-HNNXBMFYSA-N 0 3 382.530 0.743 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@](C)(O)CCOC)c2)CC1 ZINC000274562712 1184099743 /nfs/dbraw/zinc/09/97/43/1184099743.db2.gz XORDUFGGLMTKRW-HXUWFJFHSA-N 0 3 392.500 0.671 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCN3CCOCC3)c2)CC1 ZINC000274562834 1184100088 /nfs/dbraw/zinc/10/00/88/1184100088.db2.gz XQWWCBTWRRGDMN-UHFFFAOYSA-N 0 3 389.500 0.215 20 0 GCADHN CCCNC(=O)CNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000274561975 1184100161 /nfs/dbraw/zinc/10/01/61/1184100161.db2.gz XOBGPSNVRBFBCA-UHFFFAOYSA-N 0 3 375.473 0.409 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@@H](COC)C3)c2)CC1 ZINC000274561095 1184100346 /nfs/dbraw/zinc/10/03/46/1184100346.db2.gz XEJAVMZDMNAQAT-GOSISDBHSA-N 0 3 390.484 0.641 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)NCC(=O)N3CCOCC3)c2)CC1 ZINC000274571728 1184106438 /nfs/dbraw/zinc/10/64/38/1184106438.db2.gz BDWHXFYJCIIVLZ-UHFFFAOYSA-N 0 3 375.473 0.809 20 0 GCADHN CC(C)c1csc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)n1 ZINC000579757402 1184135119 /nfs/dbraw/zinc/13/51/19/1184135119.db2.gz UGZQWPMXOXCONQ-UHFFFAOYSA-N 0 3 381.546 0.979 20 0 GCADHN COC(=O)CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)CC(OC)OC ZINC000274644704 1184140764 /nfs/dbraw/zinc/14/07/64/1184140764.db2.gz LSGMJQXGGRFMBA-QGZVFWFLSA-N 0 3 395.500 0.890 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 ZINC000616368292 1184145803 /nfs/dbraw/zinc/14/58/03/1184145803.db2.gz OTXXDQUMAJJUHK-CYBMUJFWSA-N 0 3 387.488 0.357 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 ZINC000616368293 1184146148 /nfs/dbraw/zinc/14/61/48/1184146148.db2.gz OTXXDQUMAJJUHK-ZDUSSCGKSA-N 0 3 387.488 0.357 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C[C@H](C)O1 ZINC000274650806 1184148042 /nfs/dbraw/zinc/14/80/42/1184148042.db2.gz LZUREIGXNGTWPM-GASCZTMLSA-N 0 3 398.529 0.951 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCC(N(C)S(C)(=O)=O)CC1)c1ccccc1 ZINC000274653130 1184149825 /nfs/dbraw/zinc/14/98/25/1184149825.db2.gz NQEPNWFZDZVFAQ-SFHVURJKSA-N 0 3 396.557 0.761 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCN(c2nc(N)ns2)CC1)c1ccccc1 ZINC000274672378 1184176052 /nfs/dbraw/zinc/17/60/52/1184176052.db2.gz SWRNGYLULKSIJC-OAHLLOKOSA-N 0 3 389.529 0.661 20 0 GCADHN CCN(CCO)CCNC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000274675984 1184179187 /nfs/dbraw/zinc/17/91/87/1184179187.db2.gz QFDGBRWMNLVQDE-KRWDZBQOSA-N 0 3 378.473 0.410 20 0 GCADHN Cn1nccc1CCN1CCN(CCCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001266273229 1184182198 /nfs/dbraw/zinc/18/21/98/1184182198.db2.gz IIFPIMIYAIRLGY-QRVBRYPASA-N 0 3 375.517 0.654 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O)c1ccccc1 ZINC000274680226 1184182324 /nfs/dbraw/zinc/18/23/24/1184182324.db2.gz WOJDKLREQDULAQ-INIZCTEOSA-N 0 3 387.484 0.422 20 0 GCADHN CN(C)[C@H](CNC(=O)CN1CCC2(CC1)NC(=O)N(C)C2=O)c1ccccc1 ZINC000274680233 1184182833 /nfs/dbraw/zinc/18/28/33/1184182833.db2.gz WOJDKLREQDULAQ-MRXNPFEDSA-N 0 3 387.484 0.422 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCCC[C@H]1CNS(C)(=O)=O)c1ccccc1 ZINC000274680315 1184182904 /nfs/dbraw/zinc/18/29/04/1184182904.db2.gz WRHXZCXOYJIEIH-ROUUACIJSA-N 0 3 396.557 0.809 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1=O ZINC000430179080 1184211603 /nfs/dbraw/zinc/21/16/03/1184211603.db2.gz NJWRFUBAPIQMBF-MDYRTPRTSA-N 0 3 377.460 0.818 20 0 GCADHN O=C(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC001772503779 1184213076 /nfs/dbraw/zinc/21/30/76/1184213076.db2.gz CFQZGCOBNHLRER-HXUWFJFHSA-N 0 3 386.452 0.031 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000510068951 1184214801 /nfs/dbraw/zinc/21/48/01/1184214801.db2.gz FPHHLFBPJJEFCG-UHFFFAOYSA-N 0 3 395.464 0.375 20 0 GCADHN NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000654945790 1184217339 /nfs/dbraw/zinc/21/73/39/1184217339.db2.gz FIYDSHWJDRNMPY-GJZGRUSLSA-N 0 3 380.470 0.406 20 0 GCADHN Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnn1Cc1ccncc1 ZINC000520855802 1184219154 /nfs/dbraw/zinc/21/91/54/1184219154.db2.gz IDIFUWSTBFFHNO-QGZVFWFLSA-N 0 3 397.483 0.408 20 0 GCADHN NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000654947785 1184219535 /nfs/dbraw/zinc/21/95/35/1184219535.db2.gz VGJFBOUZYNGELJ-LSDHHAIUSA-N 0 3 398.460 0.545 20 0 GCADHN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1C ZINC000654948273 1184219720 /nfs/dbraw/zinc/21/97/20/1184219720.db2.gz AIOXRHSDSRBYMC-UONOGXRCSA-N 0 3 376.461 0.009 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000654949482 1184220325 /nfs/dbraw/zinc/22/03/25/1184220325.db2.gz VNBJQTOHBLICLF-HOTGVXAUSA-N 0 3 394.497 0.666 20 0 GCADHN COc1c(F)cc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1[N+](=O)[O-] ZINC000547646606 1184220472 /nfs/dbraw/zinc/22/04/72/1184220472.db2.gz KGCJKXKJLXQHPT-UHFFFAOYSA-N 0 3 392.453 0.856 20 0 GCADHN COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@@H](C)N3CCCC3)n2)cc1 ZINC000547649284 1184225046 /nfs/dbraw/zinc/22/50/46/1184225046.db2.gz LSWQNCLDHFITQX-OAHLLOKOSA-N 0 3 385.468 1.479 20 0 GCADHN COCC(=O)N1CCc2cc(NC(=O)C(=O)NCCN3CC[C@@H](C)C3)ccc21 ZINC000547651201 1184226394 /nfs/dbraw/zinc/22/63/94/1184226394.db2.gz PWGGOEPIICGENN-CQSZACIVSA-N 0 3 388.468 0.619 20 0 GCADHN C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CC[C@H](CN2CCOCC2)C1 ZINC000172934952 1184261720 /nfs/dbraw/zinc/26/17/20/1184261720.db2.gz DFZUSHKRDCZDID-RBUKOAKNSA-N 0 3 387.528 0.773 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2ccccc2)C[C@@H](C)O1 ZINC000517746144 1184264814 /nfs/dbraw/zinc/26/48/14/1184264814.db2.gz UJGDRLUJCAIXCW-HZPDHXFCSA-N 0 3 383.514 0.971 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)C[C@@H]1O ZINC000655093246 1184281401 /nfs/dbraw/zinc/28/14/01/1184281401.db2.gz BPRTVPSZZDOXQF-SQNIBIBYSA-N 0 3 383.448 0.980 20 0 GCADHN COc1ccc([C@H]2[C@@H](C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CCC(=O)N2C)cc1 ZINC000655094461 1184282941 /nfs/dbraw/zinc/28/29/41/1184282941.db2.gz HRFUFGJUPVBPFB-DWRORGKVSA-N 0 3 375.469 0.738 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)CN3S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000655129213 1184298926 /nfs/dbraw/zinc/29/89/26/1184298926.db2.gz AXIVQXOVVMPIEO-QCPWZWHMSA-N 0 3 397.472 0.112 20 0 GCADHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000510099602 1184300386 /nfs/dbraw/zinc/30/03/86/1184300386.db2.gz PDXFTZHSQOJCMD-SNVBAGLBSA-N 0 3 399.502 0.001 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)CC1 ZINC000579835335 1184307384 /nfs/dbraw/zinc/30/73/84/1184307384.db2.gz UGWFOPAEUVWLQX-IEBWSBKVSA-N 0 3 387.528 0.787 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@@H]1O)N1CCCC1 ZINC000969509353 1184332981 /nfs/dbraw/zinc/33/29/81/1184332981.db2.gz YVSOYSKUDULELZ-MLHJIOFPSA-N 0 3 386.496 0.747 20 0 GCADHN CCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@H]2C1 ZINC001083190875 1184346214 /nfs/dbraw/zinc/34/62/14/1184346214.db2.gz CASMUSPEZKBNLA-XWTMOSNGSA-N 0 3 379.501 0.868 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000471181806 1184364589 /nfs/dbraw/zinc/36/45/89/1184364589.db2.gz HXRIANAFEMSLBC-MRXNPFEDSA-N 0 3 383.537 0.027 20 0 GCADHN CCN1CCN([C@@H]2CCN(CC(=O)N[C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000245941381 1184366666 /nfs/dbraw/zinc/36/66/66/1184366666.db2.gz VCTCYENGMSMGQB-QZTJIDSGSA-N 0 3 379.549 0.215 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000182852177 1184386601 /nfs/dbraw/zinc/38/66/01/1184386601.db2.gz AREAWUDNPABHJU-ZDUSSCGKSA-N 0 3 379.427 0.429 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655353799 1184387675 /nfs/dbraw/zinc/38/76/75/1184387675.db2.gz WFDUGTPKIAJGSP-HOCLYGCPSA-N 0 3 384.502 0.686 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CCC4=CCCCC4)C[C@@H]32)O1 ZINC001083191510 1184387726 /nfs/dbraw/zinc/38/77/26/1184387726.db2.gz BICNUMGXYUHBGY-WNRNVDISSA-N 0 3 377.485 0.821 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000154355690 1184388170 /nfs/dbraw/zinc/38/81/70/1184388170.db2.gz IAYMCPNPJLQURH-YOEHRIQHSA-N 0 3 379.480 0.925 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N3CCc4n[nH]c(=O)cc4C3)cc2)CC1 ZINC000274828049 1184396941 /nfs/dbraw/zinc/39/69/41/1184396941.db2.gz GNPDKSRLEVJUHC-UHFFFAOYSA-N 0 3 396.495 0.785 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cnn(CC(C)C)c2)CC1 ZINC000154443281 1184397008 /nfs/dbraw/zinc/39/70/08/1184397008.db2.gz VADWNYGMZBWDSI-MRXNPFEDSA-N 0 3 378.521 0.867 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000274825797 1184398003 /nfs/dbraw/zinc/39/80/03/1184398003.db2.gz PRXQMTREJORECW-HNNXBMFYSA-N 0 3 397.545 0.883 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)CCc2c(C)nn(C)c2C)CC1=O ZINC000579864853 1184401564 /nfs/dbraw/zinc/40/15/64/1184401564.db2.gz XVQZURCRTPOEQQ-MRXNPFEDSA-N 0 3 379.505 0.265 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(C)nn1-c1ccc(C)nn1 ZINC000274862900 1184405824 /nfs/dbraw/zinc/40/58/24/1184405824.db2.gz WAPSDNQXLTVYCS-UHFFFAOYSA-N 0 3 389.460 0.254 20 0 GCADHN CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000932406824 1184407992 /nfs/dbraw/zinc/40/79/92/1184407992.db2.gz UKADPUOKXAEPHP-ZACQAIPSSA-N 0 3 395.500 0.010 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC000073748595 1184411252 /nfs/dbraw/zinc/41/12/52/1184411252.db2.gz OTVQIMVEHQAYNT-KRWDZBQOSA-N 0 3 375.517 0.876 20 0 GCADHN COc1ccc(CN(CCCO)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000890643368 1184411713 /nfs/dbraw/zinc/41/17/13/1184411713.db2.gz RDPUINLALMBCCF-QGZVFWFLSA-N 0 3 377.485 0.816 20 0 GCADHN CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000152070162 1184477137 /nfs/dbraw/zinc/47/71/37/1184477137.db2.gz LEJLFRXPALYIMD-INIZCTEOSA-N 0 3 394.541 0.840 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000246214498 1184478061 /nfs/dbraw/zinc/47/80/61/1184478061.db2.gz FEXFFWSXKXKFOX-YLFCFFPRSA-N 0 3 376.501 0.892 20 0 GCADHN COC(=O)c1scc(C)c1NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000547756049 1184483775 /nfs/dbraw/zinc/48/37/75/1184483775.db2.gz RKFLACFWBUBTPS-UHFFFAOYSA-N 0 3 396.513 0.925 20 0 GCADHN O=C(Cc1nc2ncccn2n1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000535630193 1184485070 /nfs/dbraw/zinc/48/50/70/1184485070.db2.gz IKVIJHWLYRYFEX-DLBZAZTESA-N 0 3 380.452 0.666 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC1 ZINC000655500637 1184487051 /nfs/dbraw/zinc/48/70/51/1184487051.db2.gz AUDASDYJCLEVQK-UHFFFAOYSA-N 0 3 393.509 0.990 20 0 GCADHN CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000535630775 1184503740 /nfs/dbraw/zinc/50/37/40/1184503740.db2.gz IZLPIAJCRSKCJI-IRXDYDNUSA-N 0 3 383.514 0.267 20 0 GCADHN O=C(CCCN1C(=O)CNC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000535632988 1184515165 /nfs/dbraw/zinc/51/51/65/1184515165.db2.gz TZEDGIDACWWSGJ-IAGOWNOFSA-N 0 3 388.468 0.318 20 0 GCADHN O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000535632990 1184516039 /nfs/dbraw/zinc/51/60/39/1184516039.db2.gz TZEDGIDACWWSGJ-SJORKVTESA-N 0 3 388.468 0.318 20 0 GCADHN C[C@H](O)CN1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)C1 ZINC000275182322 1184542534 /nfs/dbraw/zinc/54/25/34/1184542534.db2.gz BAIBVGGVLPDVGJ-CVEARBPZSA-N 0 3 385.530 0.703 20 0 GCADHN CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000275192128 1184545185 /nfs/dbraw/zinc/54/51/85/1184545185.db2.gz FUHDPUSVISNTCZ-GDBMZVCRSA-N 0 3 396.513 0.311 20 0 GCADHN CN(C)CCn1nnnc1SCC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000471254941 1184553644 /nfs/dbraw/zinc/55/36/44/1184553644.db2.gz OPTSGGQTRFTKCJ-UHFFFAOYSA-N 0 3 392.424 0.080 20 0 GCADHN O=C(CNC(=O)C1CC1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000109666845 1184566567 /nfs/dbraw/zinc/56/65/67/1184566567.db2.gz QKNSTUIMDLIIKX-QGZVFWFLSA-N 0 3 385.512 0.968 20 0 GCADHN CN(CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)C1CC1 ZINC000275306544 1184593994 /nfs/dbraw/zinc/59/39/94/1184593994.db2.gz NAUWNJGSZUIMTJ-UHFFFAOYSA-N 0 3 392.431 0.447 20 0 GCADHN COC(=O)C[C@](C)(NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)c1ccncc1 ZINC000275336960 1184613656 /nfs/dbraw/zinc/61/36/56/1184613656.db2.gz WJCWXCXNMYYVJP-KUHUBIRLSA-N 0 3 376.457 0.386 20 0 GCADHN CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000155341453 1184620388 /nfs/dbraw/zinc/62/03/88/1184620388.db2.gz SXLZPJBLMVCRHM-DOMZBBRYSA-N 0 3 379.486 0.769 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000275353155 1184624255 /nfs/dbraw/zinc/62/42/55/1184624255.db2.gz VCJLYYDCFRECTD-FHLIZLRMSA-N 0 3 389.500 0.347 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000275380989 1184645073 /nfs/dbraw/zinc/64/50/73/1184645073.db2.gz DDCDLFMRXGCECU-UHFFFAOYSA-N 0 3 375.429 0.623 20 0 GCADHN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C[C@H]3CNCCO3)CC2)c1 ZINC000430396863 1184646292 /nfs/dbraw/zinc/64/62/92/1184646292.db2.gz VAYIVKCEFKMYSY-AEFFLSMTSA-N 0 3 375.469 0.812 20 0 GCADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000275405426 1184656077 /nfs/dbraw/zinc/65/60/77/1184656077.db2.gz JNGAOWRBLWWJAE-UHFFFAOYSA-N 0 3 392.525 0.763 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1N1CCCS1(=O)=O ZINC000275420584 1184660194 /nfs/dbraw/zinc/66/01/94/1184660194.db2.gz MJZQDMCFYMNDOV-UHFFFAOYSA-N 0 3 382.486 0.493 20 0 GCADHN CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)CNCCOC)CC1 ZINC000430401010 1184660586 /nfs/dbraw/zinc/66/05/86/1184660586.db2.gz JNEPTTCQEWSHGC-MRXNPFEDSA-N 0 3 377.485 0.923 20 0 GCADHN CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000275476015 1184682270 /nfs/dbraw/zinc/68/22/70/1184682270.db2.gz YNEIDAFSTIWXOI-UHFFFAOYSA-N 0 3 384.502 0.724 20 0 GCADHN CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)COC3CNC3)CC2)cc1 ZINC000430419686 1184704635 /nfs/dbraw/zinc/70/46/35/1184704635.db2.gz UHDPUYKHNSTCJI-HNNXBMFYSA-N 0 3 375.469 0.676 20 0 GCADHN CN(C)CCn1nccc1C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 ZINC000890856723 1184730447 /nfs/dbraw/zinc/73/04/47/1184730447.db2.gz BEDKVXJIMZOBAM-UHFFFAOYSA-N 0 3 379.486 0.771 20 0 GCADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000530735144 1184731214 /nfs/dbraw/zinc/73/12/14/1184731214.db2.gz MMXDXHLGSUBDCI-ZWKOTPCHSA-N 0 3 398.573 0.983 20 0 GCADHN COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000890867121 1184735793 /nfs/dbraw/zinc/73/57/93/1184735793.db2.gz IZOPUDDZGCANBQ-DLBZAZTESA-N 0 3 375.469 0.687 20 0 GCADHN CN1CC[C@H]2OCCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)[C@@H]2C1 ZINC000332767661 1184745770 /nfs/dbraw/zinc/74/57/70/1184745770.db2.gz GUJSRPFGPANXNF-RTBURBONSA-N 0 3 394.560 0.543 20 0 GCADHN COc1cccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c1OC ZINC000579933601 1184749241 /nfs/dbraw/zinc/74/92/41/1184749241.db2.gz JJDYFOFDTXYZHZ-TZMCWYRMSA-N 0 3 379.457 0.592 20 0 GCADHN C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CN(CCCN2CCCC2=O)C1 ZINC000970204536 1184751663 /nfs/dbraw/zinc/75/16/63/1184751663.db2.gz NOGIIOMJKCIJQD-PCODUJHASA-N 0 3 379.501 0.487 20 0 GCADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(CC2CCCCC2)CC1 ZINC000067649036 1184765905 /nfs/dbraw/zinc/76/59/05/1184765905.db2.gz XEONANIXCGSLIE-AWEZNQCLSA-N 0 3 391.516 0.435 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3cn[nH]c3)n2CC2CC2)CC1 ZINC000625306030 1184781122 /nfs/dbraw/zinc/78/11/22/1184781122.db2.gz HXURSENYYABGKK-MRXNPFEDSA-N 0 3 384.488 0.821 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000177423076 1184813142 /nfs/dbraw/zinc/81/31/42/1184813142.db2.gz VMSMWXHROYCJQV-CYBMUJFWSA-N 0 3 386.493 0.490 20 0 GCADHN O=C(c1[nH]nc2c1CNCC2)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000188552514 1184867944 /nfs/dbraw/zinc/86/79/44/1184867944.db2.gz ZOLWSZLOIYFSFX-GOSISDBHSA-N 0 3 394.479 0.619 20 0 GCADHN CNS(=O)(=O)Cc1ccc(CNCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC001648892667 1184877224 /nfs/dbraw/zinc/87/72/24/1184877224.db2.gz IDLTVZNLIQPSHO-UHFFFAOYSA-N 0 3 383.495 0.673 20 0 GCADHN COCCOCCNC(=O)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000556339178 1184892399 /nfs/dbraw/zinc/89/23/99/1184892399.db2.gz DBSIBUGLRKSEHS-IAGOWNOFSA-N 0 3 399.532 0.504 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188701532 1184941868 /nfs/dbraw/zinc/94/18/68/1184941868.db2.gz LQBMJPKJRVWJCS-LLVKDONJSA-N 0 3 378.454 0.878 20 0 GCADHN Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC000891108507 1184956175 /nfs/dbraw/zinc/95/61/75/1184956175.db2.gz YRORUELYLQFISG-FZKQIMNGSA-N 0 3 380.468 0.598 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)N1CCC[C@H](C)C1 ZINC000041652771 1184963566 /nfs/dbraw/zinc/96/35/66/1184963566.db2.gz PQNOPPCAWDKHRD-KBPBESRZSA-N 0 3 376.457 0.726 20 0 GCADHN O=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@H]1C[C@H](F)CN1 ZINC000275739320 1184994568 /nfs/dbraw/zinc/99/45/68/1184994568.db2.gz LPJLLJYSMPJOMF-SQWLQELKSA-N 0 3 385.461 0.460 20 0 GCADHN Cc1cnc(CCNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c(C)c1 ZINC000656068406 1185004661 /nfs/dbraw/zinc/00/46/61/1185004661.db2.gz XQRSFUVWSCLFLZ-QGZVFWFLSA-N 0 3 376.501 0.926 20 0 GCADHN CCC(C)(C)N1CCN(C(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000656068398 1185005064 /nfs/dbraw/zinc/00/50/64/1185005064.db2.gz XOGGHRWGLXHADU-QGZVFWFLSA-N 0 3 382.549 0.888 20 0 GCADHN Cc1cnc(OC2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)CC2)nc1 ZINC000656075844 1185013040 /nfs/dbraw/zinc/01/30/40/1185013040.db2.gz XSWUZRCJYQLSPW-CVEARBPZSA-N 0 3 387.484 0.850 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)c3ncn(C)n3)c2)CC1 ZINC000275750111 1185015202 /nfs/dbraw/zinc/01/52/02/1185015202.db2.gz XQDCFHALHOITOT-AWEZNQCLSA-N 0 3 385.472 0.773 20 0 GCADHN CNS(=O)(=O)c1ccc(CCNC(=O)Nc2ccnn2CCN(C)C)cc1 ZINC001670517359 1185032017 /nfs/dbraw/zinc/03/20/17/1185032017.db2.gz LOBSKGRLSAMZLX-UHFFFAOYSA-N 0 3 394.501 0.717 20 0 GCADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)Nc2ccc(S(C)(=O)=O)cn2)cn1 ZINC000891199884 1185035547 /nfs/dbraw/zinc/03/55/47/1185035547.db2.gz PTWUDIIRTMEJMS-CABCVRRESA-N 0 3 377.470 0.893 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 ZINC000610380937 1185061959 /nfs/dbraw/zinc/06/19/59/1185061959.db2.gz JOJQRSJEZRPVRJ-INIZCTEOSA-N 0 3 393.440 0.038 20 0 GCADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@@H](C)C1 ZINC000556488197 1185065102 /nfs/dbraw/zinc/06/51/02/1185065102.db2.gz GZNVOMWZWQNMRS-GUTXKFCHSA-N 0 3 394.497 0.612 20 0 GCADHN CN1CCN(CCCCNC(=O)CNC(=O)N2CCc3ccccc3C2)CC1 ZINC000109947887 1185074643 /nfs/dbraw/zinc/07/46/43/1185074643.db2.gz CPJGWBZVOBYFEV-UHFFFAOYSA-N 0 3 387.528 0.898 20 0 GCADHN CN[C@H](C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)c1cnn(C)c1 ZINC000580189080 1185112897 /nfs/dbraw/zinc/11/28/97/1185112897.db2.gz GKORWCIGDYBKCT-KRWDZBQOSA-N 0 3 378.521 0.424 20 0 GCADHN Cc1ccc(CNC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(=O)n1C ZINC000683848551 1185131394 /nfs/dbraw/zinc/13/13/94/1185131394.db2.gz HXGDQRNNGXTCHR-CRAIPNDOSA-N 0 3 375.517 0.861 20 0 GCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000070965385 1185146489 /nfs/dbraw/zinc/14/64/89/1185146489.db2.gz LBGOMWKNIKRHMP-CYBMUJFWSA-N 0 3 376.457 0.936 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)CCn3cnc4sccc4c3=O)C2)nn1 ZINC000580310919 1185151552 /nfs/dbraw/zinc/15/15/52/1185151552.db2.gz NVJYINKTGLQDJY-ZDUSSCGKSA-N 0 3 387.469 0.762 20 0 GCADHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C(=O)NCc2ncccn2)C1 ZINC000580330390 1185167459 /nfs/dbraw/zinc/16/74/59/1185167459.db2.gz IPUVEGNMEVLFFP-AWEZNQCLSA-N 0 3 388.497 0.838 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC000683878105 1185172057 /nfs/dbraw/zinc/17/20/57/1185172057.db2.gz JQFXAWFDJBYIPD-OAHLLOKOSA-N 0 3 398.467 0.918 20 0 GCADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)CCO2 ZINC000891245679 1185175927 /nfs/dbraw/zinc/17/59/27/1185175927.db2.gz FMNMQWQXNBZGEH-MLBPIDQTSA-N 0 3 396.488 0.249 20 0 GCADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)CCO2 ZINC000891245682 1185176180 /nfs/dbraw/zinc/17/61/80/1185176180.db2.gz FMNMQWQXNBZGEH-XNDRKVBMSA-N 0 3 396.488 0.249 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2)CC1 ZINC000275844687 1185178114 /nfs/dbraw/zinc/17/81/14/1185178114.db2.gz AGSFUBNTRKNKMG-INIZCTEOSA-N 0 3 389.500 0.783 20 0 GCADHN COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000275860520 1185189448 /nfs/dbraw/zinc/18/94/48/1185189448.db2.gz CLVNOINFFDYHQA-UHFFFAOYSA-N 0 3 376.457 0.888 20 0 GCADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000275864952 1185191135 /nfs/dbraw/zinc/19/11/35/1185191135.db2.gz BASQDHFUYZDQFI-OLZOCXBDSA-N 0 3 390.440 0.730 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C)cc2OCCOC)CC1 ZINC000052679960 1185227863 /nfs/dbraw/zinc/22/78/63/1185227863.db2.gz OXSDRMRKLHGFRR-UHFFFAOYSA-N 0 3 392.500 0.712 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc4nc(C5CC5)sc4c3)CCN2C1=O ZINC000580451373 1185234231 /nfs/dbraw/zinc/23/42/31/1185234231.db2.gz FBAWBURTCQSVFI-CHWSQXEVSA-N 0 3 399.476 0.883 20 0 GCADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)C[C@@H]1O ZINC000580463178 1185238648 /nfs/dbraw/zinc/23/86/48/1185238648.db2.gz GVMLZWKGQBVITO-KBMXLJTQSA-N 0 3 395.887 0.701 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000275902741 1185260439 /nfs/dbraw/zinc/26/04/39/1185260439.db2.gz JMGLHZHMVPUGMR-KGLIPLIRSA-N 0 3 384.436 0.936 20 0 GCADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000580525657 1185261973 /nfs/dbraw/zinc/26/19/73/1185261973.db2.gz YVJONOYFOOGBBS-KRWDZBQOSA-N 0 3 387.484 0.195 20 0 GCADHN COc1ccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(OC)c1OC ZINC000580572368 1185278047 /nfs/dbraw/zinc/27/80/47/1185278047.db2.gz UFPDLQZJOBORSE-STQMWFEESA-N 0 3 378.429 0.166 20 0 GCADHN COc1ccc(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC(F)F ZINC000580571987 1185278643 /nfs/dbraw/zinc/27/86/43/1185278643.db2.gz KKJVTBOFGIJEJC-CHWSQXEVSA-N 0 3 398.410 0.793 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CSc2ccccc21)CN1CCN(C)CC1 ZINC000580579796 1185279268 /nfs/dbraw/zinc/27/92/68/1185279268.db2.gz VAAQYWULZAYHTG-GOEBONIOSA-N 0 3 376.526 0.949 20 0 GCADHN COCCOc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c(C)c1 ZINC000047961967 1185282103 /nfs/dbraw/zinc/28/21/03/1185282103.db2.gz NVYGCQMQMMWSQS-UHFFFAOYSA-N 0 3 392.500 0.712 20 0 GCADHN CC1CCN(CCNC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000046369217 1185284618 /nfs/dbraw/zinc/28/46/18/1185284618.db2.gz UWXVPNVWMRJYOG-UHFFFAOYSA-N 0 3 395.529 0.829 20 0 GCADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)CCN(C)C1CC1)CC2 ZINC000275926986 1185293109 /nfs/dbraw/zinc/29/31/09/1185293109.db2.gz NBHGNRXHRBXKLH-UHFFFAOYSA-N 0 3 394.497 0.036 20 0 GCADHN Cc1cc(C)n(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c2)n1 ZINC000580658626 1185298524 /nfs/dbraw/zinc/29/85/24/1185298524.db2.gz CXENMQRPAABVNL-SJORKVTESA-N 0 3 396.451 0.198 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000684016133 1185300666 /nfs/dbraw/zinc/30/06/66/1185300666.db2.gz OEBYTUURBWVBJZ-CYBMUJFWSA-N 0 3 391.497 0.335 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000580692109 1185308192 /nfs/dbraw/zinc/30/81/92/1185308192.db2.gz ROQZTZOBAPGMCC-ARFHVFGLSA-N 0 3 385.530 0.449 20 0 GCADHN CN(CCNC(=O)C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1)C1CC1 ZINC000580705181 1185308843 /nfs/dbraw/zinc/30/88/43/1185308843.db2.gz MXKCIKFLUCGGBB-MRXNPFEDSA-N 0 3 393.557 0.363 20 0 GCADHN CNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cn1 ZINC000275934849 1185318514 /nfs/dbraw/zinc/31/85/14/1185318514.db2.gz WONRVVXEGVSGIX-SUMWQHHRSA-N 0 3 386.456 0.375 20 0 GCADHN CCOC(=O)COc1cccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000510341265 1185326176 /nfs/dbraw/zinc/32/61/76/1185326176.db2.gz KQQQGGCMNACZKE-CQSZACIVSA-N 0 3 377.441 0.977 20 0 GCADHN COc1cc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc(OC)c1 ZINC000275951136 1185332087 /nfs/dbraw/zinc/33/20/87/1185332087.db2.gz KADSSGINMOYHNC-UHFFFAOYSA-N 0 3 378.473 0.738 20 0 GCADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cn1 ZINC000275957668 1185337655 /nfs/dbraw/zinc/33/76/55/1185337655.db2.gz BZXUJVRTFJIVSZ-ZDUSSCGKSA-N 0 3 391.472 0.886 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)CCN(C)C2CC2)ccc1C ZINC000275954772 1185338127 /nfs/dbraw/zinc/33/81/27/1185338127.db2.gz RLBAPZFHBUVVDB-UHFFFAOYSA-N 0 3 382.486 0.394 20 0 GCADHN CN(C)C(=O)COc1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC000275971719 1185345948 /nfs/dbraw/zinc/34/59/48/1185345948.db2.gz UXMFYCKHWCHGTR-UHFFFAOYSA-N 0 3 376.457 0.645 20 0 GCADHN CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656295818 1185353590 /nfs/dbraw/zinc/35/35/90/1185353590.db2.gz NBTODQZVLIKZFK-ROUUACIJSA-N 0 3 386.496 0.894 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)CNC(=O)N3CCc4ccccc4C3)C2)nn1 ZINC000580773382 1185353768 /nfs/dbraw/zinc/35/37/68/1185353768.db2.gz LLIXJHGLPVQCDQ-SFHVURJKSA-N 0 3 397.483 0.668 20 0 GCADHN CC(C)(C)n1nnc(CNC(=O)C(=O)NCCCN2CCc3ccccc3C2)n1 ZINC000656296668 1185356640 /nfs/dbraw/zinc/35/66/40/1185356640.db2.gz WPJWBGIVQLKTPE-UHFFFAOYSA-N 0 3 399.499 0.609 20 0 GCADHN COCCOc1ncccc1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656297066 1185357486 /nfs/dbraw/zinc/35/74/86/1185357486.db2.gz RYQNDNBXBZNJIB-IRXDYDNUSA-N 0 3 390.484 0.856 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000656297106 1185357807 /nfs/dbraw/zinc/35/78/07/1185357807.db2.gz SXPNGAAKFPRINA-SJORKVTESA-N 0 3 390.484 0.856 20 0 GCADHN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580785005 1185359681 /nfs/dbraw/zinc/35/96/81/1185359681.db2.gz LBTLBUJPWHASFU-HZPDHXFCSA-N 0 3 390.484 0.296 20 0 GCADHN NC(=O)COc1cccc(CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000656301810 1185369900 /nfs/dbraw/zinc/36/99/00/1185369900.db2.gz NTGXGCOZVHIADZ-SJORKVTESA-N 0 3 388.468 0.300 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)C2Cc3ccccc3C2)CC1 ZINC000123177095 1185376185 /nfs/dbraw/zinc/37/61/85/1185376185.db2.gz URVJAHOJZXQJIC-GOSISDBHSA-N 0 3 377.510 0.722 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656304306 1185377975 /nfs/dbraw/zinc/37/79/75/1185377975.db2.gz VXOVYTJCIPTCII-ILOCAZANSA-N 0 3 382.549 0.837 20 0 GCADHN COc1ccc([C@H](CNC(=O)Cn2ccc(=O)n(C)c2=O)N2CCCC2)cc1 ZINC000048074041 1185378223 /nfs/dbraw/zinc/37/82/23/1185378223.db2.gz OXEWSVGEBNINJE-KRWDZBQOSA-N 0 3 386.452 0.509 20 0 GCADHN C[C@H](CNC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)N1CCC(C)CC1 ZINC000656304618 1185379057 /nfs/dbraw/zinc/37/90/57/1185379057.db2.gz CWQBDNPFXIATTO-TVFCKZIOSA-N 0 3 382.549 0.837 20 0 GCADHN CNS(=O)(=O)CCNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000275990445 1185384750 /nfs/dbraw/zinc/38/47/50/1185384750.db2.gz ZCTNXKRWTAPNMU-KRWDZBQOSA-N 0 3 397.545 0.214 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000580857908 1185397189 /nfs/dbraw/zinc/39/71/89/1185397189.db2.gz DJQNKSINLVORAB-NVXWUHKLSA-N 0 3 392.475 0.747 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)Cc2ccccc2C1 ZINC000656319248 1185406306 /nfs/dbraw/zinc/40/63/06/1185406306.db2.gz QJFVKYRMDHRHRR-UHFFFAOYSA-N 0 3 399.499 0.260 20 0 GCADHN Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCOCCCO ZINC001707887245 1185408411 /nfs/dbraw/zinc/40/84/11/1185408411.db2.gz UVDPDSPOJZADNF-GOSISDBHSA-N 0 3 380.537 0.590 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656325094 1185414781 /nfs/dbraw/zinc/41/47/81/1185414781.db2.gz IJUCCRTWRCJASP-YYIAUSFCSA-N 0 3 383.489 0.056 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)s1 ZINC000656324675 1185417203 /nfs/dbraw/zinc/41/72/03/1185417203.db2.gz XMZKCLJDKUTTEZ-UONOGXRCSA-N 0 3 399.538 0.901 20 0 GCADHN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650300516 1185421309 /nfs/dbraw/zinc/42/13/09/1185421309.db2.gz GWRRVIKRBPEREO-GOSISDBHSA-N 0 3 392.475 0.813 20 0 GCADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656336113 1185431149 /nfs/dbraw/zinc/43/11/49/1185431149.db2.gz VIVALVXFTYFDFK-JKSUJKDBSA-N 0 3 377.489 0.740 20 0 GCADHN CS(=O)(=O)c1ccccc1CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656338333 1185435365 /nfs/dbraw/zinc/43/53/65/1185435365.db2.gz GLOLBFYKADNDQL-HOTGVXAUSA-N 0 3 393.509 0.839 20 0 GCADHN Cn1cc(S(=O)(=O)NCC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000580958977 1185446687 /nfs/dbraw/zinc/44/66/87/1185446687.db2.gz CCVLFZYKGCPYSG-GOSISDBHSA-N 0 3 391.497 0.479 20 0 GCADHN CC(C)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580963506 1185447006 /nfs/dbraw/zinc/44/70/06/1185447006.db2.gz OSOHUYYNOASKMG-OLZOCXBDSA-N 0 3 376.482 0.896 20 0 GCADHN Cn1c2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2nc1C1CC1 ZINC000580962188 1185447449 /nfs/dbraw/zinc/44/74/49/1185447449.db2.gz BOGLGDGNUQZNJJ-UONOGXRCSA-N 0 3 396.451 0.160 20 0 GCADHN Cn1cc(S(=O)(=O)NCC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000580958978 1185447600 /nfs/dbraw/zinc/44/76/00/1185447600.db2.gz CCVLFZYKGCPYSG-SFHVURJKSA-N 0 3 391.497 0.479 20 0 GCADHN CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)[C@H](C)C1=O ZINC000656353463 1185453118 /nfs/dbraw/zinc/45/31/18/1185453118.db2.gz ATUTWSNZMRJDLR-BRWVUGGUSA-N 0 3 378.517 0.835 20 0 GCADHN Cc1nccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN4CCCC[C@@H]34)CC2)n1 ZINC000656357017 1185455993 /nfs/dbraw/zinc/45/59/93/1185455993.db2.gz XYRMZECZUYXHOK-IRXDYDNUSA-N 0 3 386.500 0.567 20 0 GCADHN CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656356907 1185456059 /nfs/dbraw/zinc/45/60/59/1185456059.db2.gz IEHMEXKPAIHTDD-IRXDYDNUSA-N 0 3 378.517 0.884 20 0 GCADHN Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)C[C@H]2CO)cn1 ZINC000656358704 1185460374 /nfs/dbraw/zinc/46/03/74/1185460374.db2.gz UBYNSKMYFMXJAU-FJIDUMEYSA-N 0 3 389.500 0.088 20 0 GCADHN C[C@H]1OCC[C@]12CN(C(=O)C(=O)N[C@@H]1CCCN3CCCC[C@H]13)C[C@@H](C)O2 ZINC000656358982 1185461423 /nfs/dbraw/zinc/46/14/23/1185461423.db2.gz WBWZPERXFMQQOA-RXFYRGCNSA-N 0 3 379.501 0.914 20 0 GCADHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000656358860 1185462072 /nfs/dbraw/zinc/46/20/72/1185462072.db2.gz NALLGSDIDFYUJQ-CVEARBPZSA-N 0 3 388.468 0.697 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC2(CCOCC2)O1 ZINC000656358470 1185462724 /nfs/dbraw/zinc/46/27/24/1185462724.db2.gz RHZXJZDYNZRJQJ-IKGGRYGDSA-N 0 3 379.501 0.916 20 0 GCADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000933078114 1185476943 /nfs/dbraw/zinc/47/69/43/1185476943.db2.gz IZFRCQXHCZCUHO-SFHVURJKSA-N 0 3 380.533 0.357 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000581066913 1185482661 /nfs/dbraw/zinc/48/26/61/1185482661.db2.gz ZWGJOSLTOOLDPS-ZACQAIPSSA-N 0 3 385.530 0.333 20 0 GCADHN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000581076897 1185488286 /nfs/dbraw/zinc/48/82/86/1185488286.db2.gz HTXLLUISLTWORK-QRVBRYPASA-N 0 3 397.475 0.473 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C3CC3)CCN2C1=O ZINC000581082387 1185489254 /nfs/dbraw/zinc/48/92/54/1185489254.db2.gz JGYQBGFQWRMHJS-HDMKZQKVSA-N 0 3 386.452 0.862 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2)nn1 ZINC000581120577 1185504152 /nfs/dbraw/zinc/50/41/52/1185504152.db2.gz FVCNGEBLNZNITM-DLBZAZTESA-N 0 3 383.456 0.889 20 0 GCADHN CN(C(=O)c1ccc(CN)o1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000648152430 1185504263 /nfs/dbraw/zinc/50/42/63/1185504263.db2.gz DLEQUQGJVMAMCG-UHFFFAOYSA-N 0 3 377.489 0.049 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)c3cnn4c3nccc4-c3ccccc3)CCN2C1=O ZINC000581143777 1185515991 /nfs/dbraw/zinc/51/59/91/1185515991.db2.gz ZLJDJFFZKXUURB-GDBMZVCRSA-N 0 3 376.420 0.780 20 0 GCADHN CCOC(=O)c1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000276047606 1185523379 /nfs/dbraw/zinc/52/33/79/1185523379.db2.gz SYTGGEWPEYWUNH-UHFFFAOYSA-N 0 3 390.484 0.898 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000581193674 1185527167 /nfs/dbraw/zinc/52/71/67/1185527167.db2.gz ZCIJNDJTOCEZNT-UHFFFAOYSA-N 0 3 396.557 0.806 20 0 GCADHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O ZINC000581199867 1185528064 /nfs/dbraw/zinc/52/80/64/1185528064.db2.gz KHMYOBMILXJCOK-KUHUBIRLSA-N 0 3 379.457 0.710 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)CCN2C1=O ZINC000581202306 1185528967 /nfs/dbraw/zinc/52/89/67/1185528967.db2.gz LXOGUAUPVUZZOK-IPMKNSEASA-N 0 3 392.459 0.928 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC[C@@H]2CC=CCC2)CC1 ZINC000625464176 1185543884 /nfs/dbraw/zinc/54/38/84/1185543884.db2.gz DGDCENNPODTNFR-QGZVFWFLSA-N 0 3 378.517 0.862 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000276066676 1185545148 /nfs/dbraw/zinc/54/51/48/1185545148.db2.gz VFWSRJVAALXLIR-UHFFFAOYSA-N 0 3 376.457 0.492 20 0 GCADHN CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000625503858 1185571673 /nfs/dbraw/zinc/57/16/73/1185571673.db2.gz NEAQZZYCFAILMG-MRXNPFEDSA-N 0 3 395.529 0.694 20 0 GCADHN CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000625503858 1185571680 /nfs/dbraw/zinc/57/16/80/1185571680.db2.gz NEAQZZYCFAILMG-MRXNPFEDSA-N 0 3 395.529 0.694 20 0 GCADHN CN(C(=O)c1ccc([N-]S(C)(=O)=O)nc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000625503858 1185571685 /nfs/dbraw/zinc/57/16/85/1185571685.db2.gz NEAQZZYCFAILMG-MRXNPFEDSA-N 0 3 395.529 0.694 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)[C@@H]3CCN(C)C3=O)c2)CC1 ZINC000276103024 1185574618 /nfs/dbraw/zinc/57/46/18/1185574618.db2.gz QUJUNHZLLVYVJN-QGZVFWFLSA-N 0 3 387.484 0.456 20 0 GCADHN C[C@@H](NC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1)C(=O)N(C)C ZINC001266701136 1185592613 /nfs/dbraw/zinc/59/26/13/1185592613.db2.gz HFJXESPFNAELQK-IAFLNBNSSA-N 0 3 378.517 0.642 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(OC(F)F)cc1 ZINC000581322004 1185592950 /nfs/dbraw/zinc/59/29/50/1185592950.db2.gz GHCSVGWDEKWBHA-ZKYQVNSYSA-N 0 3 396.394 0.236 20 0 GCADHN CCOC1CC(CCNC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000558429174 1185610414 /nfs/dbraw/zinc/61/04/14/1185610414.db2.gz MPIHCDPKUAYNNM-JLAWEPINSA-N 0 3 394.560 0.935 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000581364379 1185617069 /nfs/dbraw/zinc/61/70/69/1185617069.db2.gz IWMRAVBEVZUQJQ-SJORKVTESA-N 0 3 381.498 0.333 20 0 GCADHN COc1ccc(N2C[C@@H](C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CC2=O)c(OC)c1 ZINC000581379026 1185626197 /nfs/dbraw/zinc/62/61/97/1185626197.db2.gz AKZWSSKQFMPUNF-RCBQFDQVSA-N 0 3 377.441 0.190 20 0 GCADHN CN(C)Cc1cccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]32)c1 ZINC001021879207 1185657920 /nfs/dbraw/zinc/65/79/20/1185657920.db2.gz GRCCMLBBJYNEEA-XWTMOSNGSA-N 0 3 384.480 0.543 20 0 GCADHN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000510418950 1185657960 /nfs/dbraw/zinc/65/79/60/1185657960.db2.gz BFDSCGRHNRMWGW-IAGOWNOFSA-N 0 3 375.469 0.687 20 0 GCADHN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[C@H]1CO ZINC000276183565 1185666932 /nfs/dbraw/zinc/66/69/32/1185666932.db2.gz KPGSPHBWPRFGOL-WMZOPIPTSA-N 0 3 395.525 0.363 20 0 GCADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[C@@H]1CO ZINC000276183557 1185666970 /nfs/dbraw/zinc/66/69/70/1185666970.db2.gz KPGSPHBWPRFGOL-SJLPKXTDSA-N 0 3 395.525 0.363 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000548176751 1185708936 /nfs/dbraw/zinc/70/89/36/1185708936.db2.gz SYKGMRSJNQWPEF-MRXNPFEDSA-N 0 3 390.488 0.692 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3(c4ccccc4)CCCC3)CCN2C1=O ZINC000581500478 1185728630 /nfs/dbraw/zinc/72/86/30/1185728630.db2.gz UMMRQZZPZQDPBU-DLBZAZTESA-N 0 3 384.480 0.385 20 0 GCADHN C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581499325 1185729956 /nfs/dbraw/zinc/72/99/56/1185729956.db2.gz ASPOUYXTDVMRJL-KMFMINBZSA-N 0 3 394.903 0.810 20 0 GCADHN C[NH+](C)CCNC(=O)Cn1cc([N-]S(=O)(=O)CCc2ccccc2F)cn1 ZINC000656624097 1185743170 /nfs/dbraw/zinc/74/31/70/1185743170.db2.gz KFRKJLYCHPIXAB-UHFFFAOYSA-N 0 3 397.476 0.684 20 0 GCADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000581527374 1185745104 /nfs/dbraw/zinc/74/51/04/1185745104.db2.gz HCIOXAJMBNIGCW-HNNXBMFYSA-N 0 3 390.550 0.122 20 0 GCADHN COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000581548536 1185755038 /nfs/dbraw/zinc/75/50/38/1185755038.db2.gz LWMDJKKIWVGOAM-OXJNMPFZSA-N 0 3 389.452 0.109 20 0 GCADHN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430611928 1185757622 /nfs/dbraw/zinc/75/76/22/1185757622.db2.gz QDFVJIOMOQEZON-CVEARBPZSA-N 0 3 376.505 0.935 20 0 GCADHN CN(C)[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)C[C@@H]1O ZINC000581557216 1185759451 /nfs/dbraw/zinc/75/94/51/1185759451.db2.gz FDWWPSATQVVHKE-ROUUACIJSA-N 0 3 394.431 0.625 20 0 GCADHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCCCN2CCN(C)CC2)C1(C)C ZINC000581563007 1185762161 /nfs/dbraw/zinc/76/21/61/1185762161.db2.gz PLOQOPHUUJJAMM-IAGOWNOFSA-N 0 3 382.549 0.792 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]32)O1 ZINC001022018166 1185773037 /nfs/dbraw/zinc/77/30/37/1185773037.db2.gz XVPPKFQOSKAPER-CYGHRXIMSA-N 0 3 378.517 0.249 20 0 GCADHN CSc1cc2c(cc1NC(=O)N1CCN3C(=O)[C@H](N)C[C@@H]3C1)OCCO2 ZINC000581618860 1185789316 /nfs/dbraw/zinc/78/93/16/1185789316.db2.gz REUMAOYCEHOMGN-GHMZBOCLSA-N 0 3 378.454 0.955 20 0 GCADHN O=C([C@H]1CCCN(CCNS(=O)(=O)c2ccccc2)C1)N1CCNCC1 ZINC000430621734 1185797845 /nfs/dbraw/zinc/79/78/45/1185797845.db2.gz DCWKYAUARBKTMO-INIZCTEOSA-N 0 3 380.514 0.109 20 0 GCADHN O=C(CN1CCC[C@H](C(=O)N2CCNCC2)C1)NCCOc1cccc(F)c1 ZINC000430622412 1185803478 /nfs/dbraw/zinc/80/34/78/1185803478.db2.gz FVOQUIXTSWAGRY-INIZCTEOSA-N 0 3 392.475 0.465 20 0 GCADHN COC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1C ZINC000066577568 1185804633 /nfs/dbraw/zinc/80/46/33/1185804633.db2.gz KSBWHHSVQVGFTH-CQSZACIVSA-N 0 3 397.497 0.647 20 0 GCADHN CN(CCNCC(=O)N1CCOC[C@@H]1C1CC1)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001266779846 1185808144 /nfs/dbraw/zinc/80/81/44/1185808144.db2.gz VVRSKKFYDYHDJT-IMBTUZDBSA-N 0 3 379.501 0.487 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NCCc1ccc(F)cc1 ZINC000430629303 1185817970 /nfs/dbraw/zinc/81/79/70/1185817970.db2.gz WGFLOUZQFVDEQN-QGZVFWFLSA-N 0 3 376.476 0.628 20 0 GCADHN CC[C@@H]1CCCCN1C(=O)CNCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001266785532 1185820917 /nfs/dbraw/zinc/82/09/17/1185820917.db2.gz SNBLSKUNHOEXIB-MJQMVNBJSA-N 0 3 381.517 0.877 20 0 GCADHN O=C(CN1CCC[C@@H](C(=O)N2CCNCC2)C1)NCc1ccc2c(c1)OCO2 ZINC000430636480 1185834738 /nfs/dbraw/zinc/83/47/38/1185834738.db2.gz JHQLDCQUGNGUAL-MRXNPFEDSA-N 0 3 388.468 0.175 20 0 GCADHN C[C@@H](CO)N(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCCC1 ZINC000276482301 1185836918 /nfs/dbraw/zinc/83/69/18/1185836918.db2.gz SIGXVHGTWJHTTG-ZDUSSCGKSA-N 0 3 381.498 0.849 20 0 GCADHN CN(C)[C@@H](CNC(=O)CN1CCC(n2cc(C(N)=O)nn2)CC1)c1ccccc1 ZINC000625809428 1185839155 /nfs/dbraw/zinc/83/91/55/1185839155.db2.gz KJPCKCYLZUZBMN-SFHVURJKSA-N 0 3 399.499 0.433 20 0 GCADHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430641132 1185851690 /nfs/dbraw/zinc/85/16/90/1185851690.db2.gz SJECBNUCJOZRJN-HOTGVXAUSA-N 0 3 376.505 0.508 20 0 GCADHN COc1ccccc1N1CC[C@H](N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1=O ZINC000430642392 1185854618 /nfs/dbraw/zinc/85/46/18/1185854618.db2.gz KECOPALFPDDIKA-AEFFLSMTSA-N 0 3 386.496 0.944 20 0 GCADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@]23C[C@H]2COC32CCC2)CC1 ZINC000933393514 1185871962 /nfs/dbraw/zinc/87/19/62/1185871962.db2.gz JIYPHOYBDOAMCX-MGPUTAFESA-N 0 3 378.517 0.347 20 0 GCADHN COc1cc2c(cc1S(=O)(=O)NC[C@@H]1CCCN(C)C1)C(=O)NCCC2 ZINC000656897111 1185879738 /nfs/dbraw/zinc/87/97/38/1185879738.db2.gz NUJNIZOAYMRCTM-ZDUSSCGKSA-N 0 3 381.498 0.991 20 0 GCADHN CN1CCN(C)CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000891502060 1185896722 /nfs/dbraw/zinc/89/67/22/1185896722.db2.gz VBJFAQFNGFOOMW-UHFFFAOYSA-N 0 3 381.565 0.910 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@@H](CO)CC2)CC1 ZINC000292996679 1185903507 /nfs/dbraw/zinc/90/35/07/1185903507.db2.gz CPJNDBYAPIVNHU-OAHLLOKOSA-N 0 3 387.488 0.106 20 0 GCADHN C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](CO)CC1 ZINC000293004941 1185904588 /nfs/dbraw/zinc/90/45/88/1185904588.db2.gz DEUSKRKTFCNYBC-RRFJBIMHSA-N 0 3 383.514 0.994 20 0 GCADHN O=C(NCCS(=O)(=O)NCC1CCC1)NC[C@@H]1Cc2ccccc2CN1 ZINC000891535794 1185907960 /nfs/dbraw/zinc/90/79/60/1185907960.db2.gz OCISNDGAXLOUTL-KRWDZBQOSA-N 0 3 380.514 0.720 20 0 GCADHN C[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@H]1CS(N)(=O)=O ZINC000891535625 1185908734 /nfs/dbraw/zinc/90/87/34/1185908734.db2.gz XHODZMGHXNHZJC-HYVNUMGLSA-N 0 3 382.530 0.725 20 0 GCADHN O=C(NCCS(=O)(=O)N1CCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000891542328 1185911168 /nfs/dbraw/zinc/91/11/68/1185911168.db2.gz GKVADIZRANVGFA-KRWDZBQOSA-N 0 3 380.514 0.986 20 0 GCADHN COCCN1CCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000684435517 1185924323 /nfs/dbraw/zinc/92/43/23/1185924323.db2.gz ZZWDRNBTFWIWDJ-INIZCTEOSA-N 0 3 383.514 0.706 20 0 GCADHN COC1CCN(S(=O)(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)CC1 ZINC000656959344 1185953020 /nfs/dbraw/zinc/95/30/20/1185953020.db2.gz NMFGKBDLRZTLTQ-UHFFFAOYSA-N 0 3 388.578 0.692 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](CO)CC1 ZINC000293285396 1185959899 /nfs/dbraw/zinc/95/98/99/1185959899.db2.gz VOYQDMLNKBQATI-ZBFHGGJFSA-N 0 3 383.514 0.476 20 0 GCADHN C[C@@H]1OCC[C@]12CN(C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)CCO2 ZINC000471805987 1185968813 /nfs/dbraw/zinc/96/88/13/1185968813.db2.gz UQVZLYBEAQAKKD-BXWFABGCSA-N 0 3 382.505 0.519 20 0 GCADHN COc1cccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)C2)c1 ZINC000581955536 1186005055 /nfs/dbraw/zinc/00/50/55/1186005055.db2.gz QOVVCAOXAPLAJH-ZVZYQTTQSA-N 0 3 387.484 0.617 20 0 GCADHN Cc1ccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c2ccccc12 ZINC000581955361 1186005091 /nfs/dbraw/zinc/00/50/91/1186005091.db2.gz DKWLIJZCXWTBQS-CRAIPNDOSA-N 0 3 380.448 0.535 20 0 GCADHN CCN1CCN(CCNc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000891757825 1186013857 /nfs/dbraw/zinc/01/38/57/1186013857.db2.gz VFRONHGWDNXZNK-UHFFFAOYSA-N 0 3 382.530 0.757 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)cc2)CC1 ZINC000891761023 1186014001 /nfs/dbraw/zinc/01/40/01/1186014001.db2.gz HCLJPFXVQOIIGN-IPELMVKDSA-N 0 3 386.496 0.996 20 0 GCADHN CCn1nccc1N1CCC[C@@H](NC(=O)CCN2CCN(CC)CC2)C1=O ZINC000276748914 1186016174 /nfs/dbraw/zinc/01/61/74/1186016174.db2.gz ZRZZMGCJMQFRBP-MRXNPFEDSA-N 0 3 376.505 0.542 20 0 GCADHN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)C1(CO)CCOCC1 ZINC000276756714 1186020274 /nfs/dbraw/zinc/02/02/74/1186020274.db2.gz ITVDVYRUISVPOE-QGZVFWFLSA-N 0 3 376.453 0.586 20 0 GCADHN CCO[C@H](C)c1noc(CN2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)n1 ZINC000430786988 1186029316 /nfs/dbraw/zinc/02/93/16/1186029316.db2.gz DXZPNHMRXLKLND-CABCVRRESA-N 0 3 381.477 0.580 20 0 GCADHN COc1ccc([C@H](CNC(=O)COC2CNC2)N2CCOCC2)cc1OC ZINC000430838547 1186037348 /nfs/dbraw/zinc/03/73/48/1186037348.db2.gz LCNZGQNLALHIGV-INIZCTEOSA-N 0 3 379.457 0.182 20 0 GCADHN COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000471870485 1186040194 /nfs/dbraw/zinc/04/01/94/1186040194.db2.gz JRLLQMDEPULTGK-KSZLIROESA-N 0 3 396.511 0.743 20 0 GCADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000430881193 1186044813 /nfs/dbraw/zinc/04/48/13/1186044813.db2.gz ZAZXQHXXBLCUDO-OAHLLOKOSA-N 0 3 396.513 0.012 20 0 GCADHN CC(C)N1CCC(N(C)S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000328956217 1186051229 /nfs/dbraw/zinc/05/12/29/1186051229.db2.gz NNVIPOKARRMJCC-UHFFFAOYSA-N 0 3 395.485 0.527 20 0 GCADHN CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000510689383 1186056976 /nfs/dbraw/zinc/05/69/76/1186056976.db2.gz BWMIQPXQHLYJOF-QGZVFWFLSA-N 0 3 375.469 0.988 20 0 GCADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000891823221 1186066932 /nfs/dbraw/zinc/06/69/32/1186066932.db2.gz MXZNKNDQPXXOIK-ZWKOTPCHSA-N 0 3 399.495 0.637 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N[C@H]3CCc4nnnn4CC3)cc2)CC1 ZINC000562952404 1186070813 /nfs/dbraw/zinc/07/08/13/1186070813.db2.gz MESVEIUZDNVAHJ-SFHVURJKSA-N 0 3 398.515 0.625 20 0 GCADHN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000548414461 1186085983 /nfs/dbraw/zinc/08/59/83/1186085983.db2.gz CYSKSIOQVKGURE-AWEZNQCLSA-N 0 3 397.497 0.503 20 0 GCADHN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000548414462 1186086229 /nfs/dbraw/zinc/08/62/29/1186086229.db2.gz CYSKSIOQVKGURE-CQSZACIVSA-N 0 3 397.497 0.503 20 0 GCADHN COc1nn(C)cc1CNC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000933818103 1186087445 /nfs/dbraw/zinc/08/74/45/1186087445.db2.gz QCIAKROFLFQUFD-QGZVFWFLSA-N 0 3 385.468 0.778 20 0 GCADHN Cc1nc([C@@H]2CN(C(=O)[C@@H](N)Cc3cn(Cc4ccccc4)cn3)CCO2)n[nH]1 ZINC000431017016 1186101779 /nfs/dbraw/zinc/10/17/79/1186101779.db2.gz YXXUQIGLRCJKIQ-ROUUACIJSA-N 0 3 395.467 0.828 20 0 GCADHN CC1(C)CCN(CCNC(=O)C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)C1 ZINC000933845964 1186108823 /nfs/dbraw/zinc/10/88/23/1186108823.db2.gz ANVAQBMPOABEHH-QGZVFWFLSA-N 0 3 386.496 0.924 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)NCCN3CCC(C)(C)C3)CC2)n1 ZINC000933846418 1186108914 /nfs/dbraw/zinc/10/89/14/1186108914.db2.gz JWJIIYIVPDUFQU-UHFFFAOYSA-N 0 3 394.545 0.733 20 0 GCADHN CC1(C)CCN(CCNC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)C1 ZINC000933846153 1186109281 /nfs/dbraw/zinc/10/92/81/1186109281.db2.gz CBBBEPXEJIHNMZ-UHFFFAOYSA-N 0 3 388.516 0.778 20 0 GCADHN O=C(CNC[C@H]1CCCO1)NCc1cccc(OCCN2CCOCC2)c1 ZINC000431041411 1186111692 /nfs/dbraw/zinc/11/16/92/1186111692.db2.gz UMUOYWMXXBIEHO-LJQANCHMSA-N 0 3 377.485 0.782 20 0 GCADHN CC1(C)CCN(CCNC(=O)C(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)C1 ZINC000933855400 1186112458 /nfs/dbraw/zinc/11/24/58/1186112458.db2.gz KAXLJHKEWNSGOI-GJZGRUSLSA-N 0 3 383.489 0.213 20 0 GCADHN CCS(=O)(=O)c1ccc(N2CCC(NC(=O)COC3CNC3)CC2)cc1 ZINC000431056339 1186114470 /nfs/dbraw/zinc/11/44/70/1186114470.db2.gz CCGJINFKHRSWOM-UHFFFAOYSA-N 0 3 381.498 0.554 20 0 GCADHN Cc1cc(NC(=O)C(=O)N(C)CC(N)=O)cc(N2CCN(C(C)C)CC2)c1 ZINC000276846602 1186118574 /nfs/dbraw/zinc/11/85/74/1186118574.db2.gz UCLKBPLRSREDRB-UHFFFAOYSA-N 0 3 375.473 0.408 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891880319 1186120996 /nfs/dbraw/zinc/12/09/96/1186120996.db2.gz GZIDEMPQIJPSCY-ZIAGYGMSSA-N 0 3 388.440 0.779 20 0 GCADHN O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891880991 1186122482 /nfs/dbraw/zinc/12/24/82/1186122482.db2.gz RHQAVGKXORDFBO-HOCLYGCPSA-N 0 3 388.440 0.827 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H](OC)[C@@H](OC)C3)c2)CC1 ZINC000276902851 1186141409 /nfs/dbraw/zinc/14/14/09/1186141409.db2.gz PCNDAECTWNPHHU-HDICACEKSA-N 0 3 390.484 0.639 20 0 GCADHN CCOCCCNC(=O)C1CCN(C(=O)CCN2CCN(CC)CC2)CC1 ZINC000510881208 1186144880 /nfs/dbraw/zinc/14/48/80/1186144880.db2.gz WBZPFXFWEPAXDA-UHFFFAOYSA-N 0 3 382.549 0.795 20 0 GCADHN CC(=O)NCC(=O)NCC(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000276915229 1186145878 /nfs/dbraw/zinc/14/58/78/1186145878.db2.gz OYKHLMUYHATXOV-UHFFFAOYSA-N 0 3 389.500 0.716 20 0 GCADHN COCCOc1ccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cn1 ZINC000891911552 1186152394 /nfs/dbraw/zinc/15/23/94/1186152394.db2.gz XDMSDGGKQUEOCY-DLBZAZTESA-N 0 3 378.473 0.847 20 0 GCADHN COCCOc1ccc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cn1 ZINC000891911555 1186152426 /nfs/dbraw/zinc/15/24/26/1186152426.db2.gz XDMSDGGKQUEOCY-SJORKVTESA-N 0 3 378.473 0.847 20 0 GCADHN COCCCNC(=O)C1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000092362035 1186154611 /nfs/dbraw/zinc/15/46/11/1186154611.db2.gz ABYLIQACJZNARF-UHFFFAOYSA-N 0 3 390.532 0.593 20 0 GCADHN COCCOc1ncccc1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000891913414 1186155834 /nfs/dbraw/zinc/15/58/34/1186155834.db2.gz WXEBEFOLPBJBTF-DLBZAZTESA-N 0 3 378.473 0.847 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)CC1 ZINC000471952364 1186160215 /nfs/dbraw/zinc/16/02/15/1186160215.db2.gz NDCCULHCRVLAHT-HUUCEWRRSA-N 0 3 386.500 0.823 20 0 GCADHN O=C(NCCN1CCC(O)CC1)NCCN1CCN(c2ccccc2)CC1 ZINC000891923882 1186162405 /nfs/dbraw/zinc/16/24/05/1186162405.db2.gz QOXGAOUZAUNZPJ-UHFFFAOYSA-N 0 3 375.517 0.565 20 0 GCADHN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NC[C@]1(O)CN2CCC1CC2 ZINC000581994456 1186169853 /nfs/dbraw/zinc/16/98/53/1186169853.db2.gz XUGOMNXPYSSFTH-NRFANRHFSA-N 0 3 384.480 0.976 20 0 GCADHN COC1(CNCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CCOCC1 ZINC000276947801 1186170746 /nfs/dbraw/zinc/17/07/46/1186170746.db2.gz BNMXALANMIXWBF-UHFFFAOYSA-N 0 3 397.541 0.908 20 0 GCADHN Cn1ccc(N2CCC[C@@H](N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001022452757 1186174769 /nfs/dbraw/zinc/17/47/69/1186174769.db2.gz QQETYMUDVHFXGW-KESYZNALSA-N 0 3 399.495 0.576 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4c(C)nc[n-]c4=O)[C@@H]3C2)CC[N@@H+]1C ZINC001022452663 1186174964 /nfs/dbraw/zinc/17/49/64/1186174964.db2.gz TUWJSQUEVWSAGU-CAOSSQGBSA-N 0 3 387.484 0.894 20 0 GCADHN CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)c4c(C)nc[n-]c4=O)[C@@H]3C2)CC[N@H+]1C ZINC001022452663 1186174966 /nfs/dbraw/zinc/17/49/66/1186174966.db2.gz TUWJSQUEVWSAGU-CAOSSQGBSA-N 0 3 387.484 0.894 20 0 GCADHN Cn1ccc(N2CC[C@H](N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)C2=O)n1 ZINC001022455359 1186177765 /nfs/dbraw/zinc/17/77/65/1186177765.db2.gz SJILVKXOKQSHHB-VYPICFABSA-N 0 3 385.468 0.186 20 0 GCADHN C[C@@H](NC1(CNS(=O)(=O)c2cnnn2C)CCOCC1)c1ccccc1 ZINC000684577243 1186178003 /nfs/dbraw/zinc/17/80/03/1186178003.db2.gz OGEWDSRDWRHBOH-CQSZACIVSA-N 0 3 379.486 0.993 20 0 GCADHN Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC[C@@H]1COCCO1 ZINC001707906525 1186181692 /nfs/dbraw/zinc/18/16/92/1186181692.db2.gz CDWFMECNLLGROH-SJORKVTESA-N 0 3 392.504 0.135 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N(C)Cc3nncn3C)c2)CC1 ZINC000510946480 1186188964 /nfs/dbraw/zinc/18/89/64/1186188964.db2.gz NYBHAUYLAVBIAJ-UHFFFAOYSA-N 0 3 399.499 0.943 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](CNCC(=O)NCc2ccccc2)C1 ZINC001691370286 1186198060 /nfs/dbraw/zinc/19/80/60/1186198060.db2.gz KRRUMWSAJXBVIC-SPUZQDLCSA-N 0 3 386.496 0.641 20 0 GCADHN CC(C)CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001691370415 1186198255 /nfs/dbraw/zinc/19/82/55/1186198255.db2.gz PQUVEXZTKYSHPE-FXUDXRNXSA-N 0 3 382.505 0.008 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](CNCC(=O)NCc2cccnc2)C1 ZINC001691370358 1186198404 /nfs/dbraw/zinc/19/84/04/1186198404.db2.gz NGEWXPXMDJRBSV-XBVQOTNRSA-N 0 3 387.484 0.036 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](N3CCN(C)CC3)[C@H](C)C1)CC2 ZINC000535724451 1186204051 /nfs/dbraw/zinc/20/40/51/1186204051.db2.gz UURDDFDWLJOCFK-OIISXLGYSA-N 0 3 375.521 0.569 20 0 GCADHN O=C(Nc1ccc(-n2ncc3c2nc[nH]c3=O)cc1)[C@H]1CN2CCN1CCC2 ZINC000535717041 1186205311 /nfs/dbraw/zinc/20/53/11/1186205311.db2.gz BMXYCKOBQSJORW-MRXNPFEDSA-N 0 3 379.424 0.850 20 0 GCADHN O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000535718200 1186205953 /nfs/dbraw/zinc/20/59/53/1186205953.db2.gz GVIIZDIUMDALFX-IBGZPJMESA-N 0 3 391.560 0.217 20 0 GCADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1([S@](C)=O)CC1 ZINC001707906621 1186208030 /nfs/dbraw/zinc/20/80/30/1186208030.db2.gz FFIOUKMRYWTVSO-MHZLTWQESA-N 0 3 394.545 0.242 20 0 GCADHN CC[C@H]1CN(Cc2nnc3n2c2ccsc2c(=O)n3C)CCN1C[C@H](C)O ZINC000247587129 1186227358 /nfs/dbraw/zinc/22/73/58/1186227358.db2.gz JCZKXMFTPXQSCN-STQMWFEESA-N 0 3 390.513 0.920 20 0 GCADHN CO[C@@H]1CN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C[C@@H]1OC ZINC000277097959 1186239031 /nfs/dbraw/zinc/23/90/31/1186239031.db2.gz DVHKPZPBQBCKRP-KDURUIRLSA-N 0 3 376.501 0.989 20 0 GCADHN Cc1nc(CNC[C@@H]2C[C@H](C)CCN2C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)n[nH]1 ZINC001087191916 1186261815 /nfs/dbraw/zinc/26/18/15/1186261815.db2.gz NELUKBFFOIAMIQ-BVUBDWEXSA-N 0 3 392.504 0.643 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)C[C@@H]1N(C)C ZINC000277162152 1186262419 /nfs/dbraw/zinc/26/24/19/1186262419.db2.gz QVPJJCCHORLNTB-FCEWJHQRSA-N 0 3 377.510 0.897 20 0 GCADHN CS[C@@H]1CN(C(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)C[C@@H]1N(C)C ZINC000277162156 1186262570 /nfs/dbraw/zinc/26/25/70/1186262570.db2.gz QVPJJCCHORLNTB-FRQCXROJSA-N 0 3 377.510 0.897 20 0 GCADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H](C)N1CCOCC1 ZINC001707912772 1186268970 /nfs/dbraw/zinc/26/89/70/1186268970.db2.gz FYFGMDNHWBESGM-IRXDYDNUSA-N 0 3 392.548 0.997 20 0 GCADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@]1(O)CCO[C@@H]1C ZINC001707913288 1186269461 /nfs/dbraw/zinc/26/94/61/1186269461.db2.gz XCIQBBLOAXLTDJ-KHYOSLBOSA-N 0 3 379.505 0.816 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)[C@H](C[NH2+]Cc2nc(=O)n(C)[n-]2)C1 ZINC001087193042 1186277517 /nfs/dbraw/zinc/27/75/17/1186277517.db2.gz YCXKNPKDGKTJTL-JWDQPFGJSA-N 0 3 377.489 0.640 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)Nc2cc(CN(C)C)ccc2OC)nn1 ZINC000611004327 1186280774 /nfs/dbraw/zinc/28/07/74/1186280774.db2.gz SMCPXXUVGNAVDA-UHFFFAOYSA-N 0 3 376.417 0.843 20 0 GCADHN CN1CCN(c2ncccc2CNC(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000151504732 1186290769 /nfs/dbraw/zinc/29/07/69/1186290769.db2.gz PQPIBZUINWEEGF-UHFFFAOYSA-N 0 3 390.532 0.432 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccnn2[C@H]2CCOC2)CC1 ZINC000934127507 1186307475 /nfs/dbraw/zinc/30/74/75/1186307475.db2.gz XRUJZENOIFNMGG-GJZGRUSLSA-N 0 3 376.461 0.615 20 0 GCADHN COCCN1C(=O)C[C@@H](CNC(=O)N(C)CCN(C)C)[C@@H]1c1cnn(C)c1C ZINC000277260695 1186309170 /nfs/dbraw/zinc/30/91/70/1186309170.db2.gz QYFHSRSEPIGWDU-MAUKXSAKSA-N 0 3 394.520 0.468 20 0 GCADHN CCc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cnn1-c1ccccc1OC ZINC000582014095 1186315817 /nfs/dbraw/zinc/31/58/17/1186315817.db2.gz HDYQQZWVDOIWOB-ZFWWWQNUSA-N 0 3 383.452 0.827 20 0 GCADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000431283888 1186317302 /nfs/dbraw/zinc/31/73/02/1186317302.db2.gz RVTDTFIHYSYONP-CYBMUJFWSA-N 0 3 382.486 0.591 20 0 GCADHN CCCN1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1=O ZINC000472057219 1186326396 /nfs/dbraw/zinc/32/63/96/1186326396.db2.gz FWBPOZSCMUMELI-UHFFFAOYSA-N 0 3 383.537 0.030 20 0 GCADHN COCCOCCc1nc(C(=O)N2CCN(c3ccncc3OC)CC2)c[nH]1 ZINC000511021120 1186327911 /nfs/dbraw/zinc/32/79/11/1186327911.db2.gz ZVSHLJRRVAGFRW-UHFFFAOYSA-N 0 3 389.456 0.981 20 0 GCADHN COc1ccc(CC[C@H](C)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1O ZINC000277317480 1186329980 /nfs/dbraw/zinc/32/99/80/1186329980.db2.gz WHWTVMLSLUWTIA-USXIJHARSA-N 0 3 398.525 0.809 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)COCCNC(=O)c1ccccc1 ZINC000472086134 1186336641 /nfs/dbraw/zinc/33/66/41/1186336641.db2.gz OPYBABZMSPSYRD-QGZVFWFLSA-N 0 3 376.501 0.575 20 0 GCADHN CCOc1ccc(C(=O)NCC(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000156956367 1186337497 /nfs/dbraw/zinc/33/74/97/1186337497.db2.gz MPNKYBOOVGVFLZ-UHFFFAOYSA-N 0 3 376.501 0.911 20 0 GCADHN COc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1N1CCNC1=O ZINC000472086779 1186337844 /nfs/dbraw/zinc/33/78/44/1186337844.db2.gz YDGBVZKDBPJOQY-OAHLLOKOSA-N 0 3 389.500 0.981 20 0 GCADHN COc1cccc2c1CC[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C2 ZINC000277339538 1186340702 /nfs/dbraw/zinc/34/07/02/1186340702.db2.gz XYGACIYQRKQYTK-JQHSSLGASA-N 0 3 380.510 0.640 20 0 GCADHN CCN1CCN(CCCNC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 ZINC000104139313 1186342122 /nfs/dbraw/zinc/34/21/22/1186342122.db2.gz SRKYMTVGXINCEI-GOSISDBHSA-N 0 3 386.496 0.649 20 0 GCADHN Cn1nnnc1SCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000536431799 1186342626 /nfs/dbraw/zinc/34/26/26/1186342626.db2.gz DWQDQMOXTPZKNK-JKSUJKDBSA-N 0 3 390.513 0.692 20 0 GCADHN O=C(NCCCn1nc2n(c1=O)CCCC2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892103329 1186343741 /nfs/dbraw/zinc/34/37/41/1186343741.db2.gz YJKJYWDSAUXEMU-HOTGVXAUSA-N 0 3 392.504 0.012 20 0 GCADHN O=C(Cn1cnc(-c2ccccc2)n1)NCCCCN1CCN(CCO)CC1 ZINC000536437758 1186345847 /nfs/dbraw/zinc/34/58/47/1186345847.db2.gz OZNPPTJKNVXZIZ-UHFFFAOYSA-N 0 3 386.500 0.451 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H](c2ccncc2)C2CC2)CC1 ZINC000934221043 1186358000 /nfs/dbraw/zinc/35/80/00/1186358000.db2.gz IXOCTEAOHQXEBX-IBGZPJMESA-N 0 3 399.495 0.416 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)cc(N2CCN(C(C)C)CC2)c1 ZINC000277391782 1186360398 /nfs/dbraw/zinc/36/03/98/1186360398.db2.gz ANZJRSVYEYUOAJ-QZTJIDSGSA-N 0 3 390.484 0.028 20 0 GCADHN CC(=O)NCC(=O)NCC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000053443250 1186361062 /nfs/dbraw/zinc/36/10/62/1186361062.db2.gz UIPIOBGUWFKZJO-SFHVURJKSA-N 0 3 388.512 0.828 20 0 GCADHN COc1cc(CNCCNC(=O)C(C)C)ccc1OCC(=O)N1CCOCC1 ZINC000025359882 1186361146 /nfs/dbraw/zinc/36/11/46/1186361146.db2.gz KQKXLXFTJBKKKR-UHFFFAOYSA-N 0 3 393.484 0.795 20 0 GCADHN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000472120526 1186362693 /nfs/dbraw/zinc/36/26/93/1186362693.db2.gz RHDDZQHQCVOLDP-ZDUSSCGKSA-N 0 3 388.520 0.398 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000277400279 1186365537 /nfs/dbraw/zinc/36/55/37/1186365537.db2.gz BJDKYUVWLXCCKU-AWEZNQCLSA-N 0 3 384.502 0.686 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1)N(C)C ZINC000431330363 1186366493 /nfs/dbraw/zinc/36/64/93/1186366493.db2.gz VVLBZOITLTXGDO-GOSISDBHSA-N 0 3 382.549 0.650 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3C[C@@H]3C(=O)OC)cc2)CC1 ZINC000892149249 1186371252 /nfs/dbraw/zinc/37/12/52/1186371252.db2.gz CQAASIISGFYNFL-YOEHRIQHSA-N 0 3 388.468 0.692 20 0 GCADHN C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000559412998 1186376822 /nfs/dbraw/zinc/37/68/22/1186376822.db2.gz YUSIKEZTMWBPEE-IEBWSBKVSA-N 0 3 390.528 0.455 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC(C)C)c2ccccc2O1 ZINC000548654055 1186377300 /nfs/dbraw/zinc/37/73/00/1186377300.db2.gz LCALVHCCNGPQSK-QGZVFWFLSA-N 0 3 391.468 1.000 20 0 GCADHN O=C(CN1CC[C@@H]2[C@@H]1CCCN2CCO)NC[C@H]1COc2ccccc2O1 ZINC000934252339 1186380690 /nfs/dbraw/zinc/38/06/90/1186380690.db2.gz KRFGTDMLBYGLCS-YESZJQIVSA-N 0 3 375.469 0.474 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(S(N)(=O)=O)c(C)c2)CC1 ZINC000135491974 1186386785 /nfs/dbraw/zinc/38/67/85/1186386785.db2.gz IRLCYCDOZWRQMI-CQSZACIVSA-N 0 3 382.530 0.646 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000582058768 1186388464 /nfs/dbraw/zinc/38/84/64/1186388464.db2.gz BGEZBOGBWSLIGR-LBPRGKRZSA-N 0 3 378.458 0.483 20 0 GCADHN Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCCN1CC[NH2+]CC1 ZINC000582065165 1186389634 /nfs/dbraw/zinc/38/96/34/1186389634.db2.gz BUKSPIFGBOQSJT-UHFFFAOYSA-N 0 3 384.484 0.897 20 0 GCADHN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934265848 1186393841 /nfs/dbraw/zinc/39/38/41/1186393841.db2.gz XESDHGRTZNPNQX-TVFCKZIOSA-N 0 3 389.496 0.862 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2ccc(=O)n(C)n2)CC1 ZINC000051412953 1186393883 /nfs/dbraw/zinc/39/38/83/1186393883.db2.gz XKYNJBAMUHOVDV-UHFFFAOYSA-N 0 3 398.463 0.980 20 0 GCADHN CNC(=O)COc1cccc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000892169939 1186396187 /nfs/dbraw/zinc/39/61/87/1186396187.db2.gz BEWHDIPRIKATLF-ZWKOTPCHSA-N 0 3 390.484 0.552 20 0 GCADHN Cc1ccc(S(=O)(=O)C2CCN(C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000892183032 1186410576 /nfs/dbraw/zinc/41/05/76/1186410576.db2.gz AXSDYYBPNNBHHD-HNNXBMFYSA-N 0 3 381.498 0.931 20 0 GCADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3ccn(C)n3)cc2)CC1 ZINC000119958954 1186450082 /nfs/dbraw/zinc/45/00/82/1186450082.db2.gz LPBLPZAVBOHLAA-UHFFFAOYSA-N 0 3 384.484 0.813 20 0 GCADHN Cc1c(Cl)cc(F)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1F ZINC000582192155 1186459177 /nfs/dbraw/zinc/45/91/77/1186459177.db2.gz AAQJDRDWNCEUSF-KWQFWETISA-N 0 3 386.786 0.636 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)Nc3ccc4c(c3)C(=O)N(CC3CC3)C4=O)CCN2C1=O ZINC000582192232 1186459294 /nfs/dbraw/zinc/45/92/94/1186459294.db2.gz CDUFWZUDGMHUTD-CJNGLKHVSA-N 0 3 397.435 0.468 20 0 GCADHN CN(C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCN(C)C1 ZINC000892225352 1186470288 /nfs/dbraw/zinc/47/02/88/1186470288.db2.gz BVUGUVLHHUANOR-OAHLLOKOSA-N 0 3 397.520 0.801 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4ccccn4)cc3)CCN2C1=O ZINC000582252865 1186477497 /nfs/dbraw/zinc/47/74/97/1186477497.db2.gz USWQDJAVYCBAAH-HZPDHXFCSA-N 0 3 379.420 0.458 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccnn1-c1nc(C)cc(C)n1 ZINC000277530961 1186480664 /nfs/dbraw/zinc/48/06/64/1186480664.db2.gz QRJAAMXZXZXSEW-UHFFFAOYSA-N 0 3 389.460 0.254 20 0 GCADHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1N[C@@H]1CCC(=O)NC1=O ZINC001167559630 1186483305 /nfs/dbraw/zinc/48/33/05/1186483305.db2.gz JDHMRPIPVPEFCE-TZMCWYRMSA-N 0 3 392.456 0.404 20 0 GCADHN C[C@H]1NCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)[C@H]1C ZINC000277537258 1186488259 /nfs/dbraw/zinc/48/82/59/1186488259.db2.gz VWZZXIXHIMXSNJ-OLZOCXBDSA-N 0 3 385.461 0.669 20 0 GCADHN O=C(NCC(=O)N1CCOCC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277549409 1186497042 /nfs/dbraw/zinc/49/70/42/1186497042.db2.gz VCUOXBASFKJPBJ-SFHVURJKSA-N 0 3 390.484 0.436 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CN1C1CC1 ZINC000934395232 1186505214 /nfs/dbraw/zinc/50/52/14/1186505214.db2.gz KXAJNLYLRFCFNZ-UMVBOHGHSA-N 0 3 380.489 0.806 20 0 GCADHN COCCOc1ncccc1CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000582366693 1186505284 /nfs/dbraw/zinc/50/52/84/1186505284.db2.gz FSSJCEHGORQDPV-MRXNPFEDSA-N 0 3 392.500 0.960 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CN1C1CC1 ZINC000934395231 1186505304 /nfs/dbraw/zinc/50/53/04/1186505304.db2.gz KXAJNLYLRFCFNZ-NFAWXSAZSA-N 0 3 380.489 0.806 20 0 GCADHN COc1ccc(C)cc1NC(=O)CNC(=O)CN[C@@H]1CCOC12CCOCC2 ZINC000934406726 1186509186 /nfs/dbraw/zinc/50/91/86/1186509186.db2.gz VKCOLOYWRYCMHY-QGZVFWFLSA-N 0 3 391.468 0.986 20 0 GCADHN O=C(NCCN1C(=O)c2ccccc2C1=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000892260001 1186524814 /nfs/dbraw/zinc/52/48/14/1186524814.db2.gz GEERQFMAXANELC-IAGOWNOFSA-N 0 3 386.452 0.523 20 0 GCADHN CCS(=O)(=O)c1ccc(CCC(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 ZINC000582447269 1186534849 /nfs/dbraw/zinc/53/48/49/1186534849.db2.gz DRJMAEKMZSSYBZ-LJQANCHMSA-N 0 3 380.510 0.986 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2nnc(C)s2)CC1 ZINC000582451246 1186535754 /nfs/dbraw/zinc/53/57/54/1186535754.db2.gz AZNITBDVADOUOP-LBPRGKRZSA-N 0 3 396.517 0.036 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cn(CCc3ccccc3)nn2)CC1 ZINC000582466934 1186540680 /nfs/dbraw/zinc/54/06/80/1186540680.db2.gz UHSQVGKKQUHOQD-UHFFFAOYSA-N 0 3 396.495 0.901 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC(N3CCOC[C@@H]3C)CC2)C1 ZINC000563365944 1186541432 /nfs/dbraw/zinc/54/14/32/1186541432.db2.gz WKAQUXBKBMMUEQ-DLBZAZTESA-N 0 3 381.517 0.973 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2c3ccccc3n(C)c2=O)CC1 ZINC000152592891 1186550135 /nfs/dbraw/zinc/55/01/35/1186550135.db2.gz JXBMQSWEJZVJEU-QGZVFWFLSA-N 0 3 385.468 0.105 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H](CNCc2cncn2C)C1 ZINC001087212223 1186550614 /nfs/dbraw/zinc/55/06/14/1186550614.db2.gz SADIVKLXEYKVRB-MXSMSXNCSA-N 0 3 391.516 0.773 20 0 GCADHN Cc1ncc(CNC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC001087212280 1186550979 /nfs/dbraw/zinc/55/09/79/1186550979.db2.gz UUHJUICUHZXTAP-ISWURRPUSA-N 0 3 375.473 0.535 20 0 GCADHN CCc1n[nH]c(=O)c(CNC(=O)NC[C@@H](C)CN2CCN(CC)CC2)c1CC ZINC000159087372 1186557311 /nfs/dbraw/zinc/55/73/11/1186557311.db2.gz KKOHJHAMBHOEDT-OAHLLOKOSA-N 0 3 392.548 0.968 20 0 GCADHN CC(C)CN1C[C@H]2CN(C(=O)N[C@H](C)CCN3CCN(C)CC3)CCN2C1=O ZINC000582523189 1186557583 /nfs/dbraw/zinc/55/75/83/1186557583.db2.gz DGSAHKQAGFJGCP-QZTJIDSGSA-N 0 3 394.564 0.800 20 0 GCADHN CCc1n[nH]c(=O)c(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)c1CC ZINC000159083951 1186557663 /nfs/dbraw/zinc/55/76/63/1186557663.db2.gz UWCROHWOLKNWJQ-AWEZNQCLSA-N 0 3 378.521 0.577 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000582538901 1186560572 /nfs/dbraw/zinc/56/05/72/1186560572.db2.gz KEFMIVOSUILOLU-AFQPOQBFSA-N 0 3 392.544 0.686 20 0 GCADHN C[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)C(=O)NCCN1CCCCC1 ZINC000582551697 1186563811 /nfs/dbraw/zinc/56/38/11/1186563811.db2.gz MFCBTEWNAKMLCF-OAHLLOKOSA-N 0 3 387.546 0.841 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](CNCc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001087214767 1186567282 /nfs/dbraw/zinc/56/72/82/1186567282.db2.gz NBGKISOEGJZHQZ-CAPXZKIUSA-N 0 3 387.484 0.898 20 0 GCADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000582563422 1186568288 /nfs/dbraw/zinc/56/82/88/1186568288.db2.gz XCRQJJUTSYIDAL-SJORKVTESA-N 0 3 396.532 0.319 20 0 GCADHN Cc1nc(C)c(CC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(=O)[n-]1 ZINC000127901336 1186570318 /nfs/dbraw/zinc/57/03/18/1186570318.db2.gz UUFWENMRKVTLOA-HUUCEWRRSA-N 0 3 375.517 0.946 20 0 GCADHN CC(=O)NCc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000152725234 1186574001 /nfs/dbraw/zinc/57/40/01/1186574001.db2.gz OXPVZPPHWUYCHT-HNNXBMFYSA-N 0 3 378.498 0.763 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000609405108 1186579734 /nfs/dbraw/zinc/57/97/34/1186579734.db2.gz JXYJJNOHKJNDKT-HNNXBMFYSA-N 0 3 375.425 0.777 20 0 GCADHN Cn1cc(CNC[C@@]2(C)CCC(=O)N2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000657488972 1186582127 /nfs/dbraw/zinc/58/21/27/1186582127.db2.gz VNXCEXPCPKTTKY-HXUWFJFHSA-N 0 3 381.436 0.975 20 0 GCADHN CC(C)(O)CN1CCN(c2ccnc(N3CCN(CC(C)(C)O)CC3)n2)CC1 ZINC000892271574 1186584765 /nfs/dbraw/zinc/58/47/65/1186584765.db2.gz ULXXWMCIPUDXPO-UHFFFAOYSA-N 0 3 392.548 0.262 20 0 GCADHN CCc1nc(CNC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)cs1 ZINC000582623274 1186588864 /nfs/dbraw/zinc/58/88/64/1186588864.db2.gz CIQXQHBCPMRQFV-INIZCTEOSA-N 0 3 393.557 0.949 20 0 GCADHN NS(=O)(=O)c1ccc(CC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000582631450 1186593154 /nfs/dbraw/zinc/59/31/54/1186593154.db2.gz XSPPUIYBDKLURA-UHFFFAOYSA-N 0 3 381.498 0.447 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000431467855 1186594740 /nfs/dbraw/zinc/59/47/40/1186594740.db2.gz ARRBXXDFQPRGOX-RDJZCZTQSA-N 0 3 383.514 0.894 20 0 GCADHN O=C(NC[C@H]1Cc2ccccc2CN1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000892276556 1186598039 /nfs/dbraw/zinc/59/80/39/1186598039.db2.gz HJJCOSYVXPXMNA-IAGOWNOFSA-N 0 3 392.467 0.717 20 0 GCADHN CCNC(=O)N1CCc2ccc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)cc21 ZINC000582676981 1186607287 /nfs/dbraw/zinc/60/72/87/1186607287.db2.gz JMJBZVWKQCGHNU-GJZGRUSLSA-N 0 3 386.456 0.554 20 0 GCADHN CCNC(=O)CN1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000128390388 1186614706 /nfs/dbraw/zinc/61/47/06/1186614706.db2.gz HEASDINCMYPZSH-PKOBYXMFSA-N 0 3 387.528 0.970 20 0 GCADHN C[C@H](CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1)CN1CCN(C)CC1 ZINC000074612777 1186625556 /nfs/dbraw/zinc/62/55/56/1186625556.db2.gz WNYOAGNRHBAZPU-SJORKVTESA-N 0 3 377.537 0.572 20 0 GCADHN Cn1cc(-c2ncc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)s2)cn1 ZINC000152583494 1186628430 /nfs/dbraw/zinc/62/84/30/1186628430.db2.gz HOQMEYFFDXKAOP-CQSZACIVSA-N 0 3 388.497 0.922 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 ZINC000153163482 1186632952 /nfs/dbraw/zinc/63/29/52/1186632952.db2.gz IBJJLLLUJXPNAU-WBVHZDCISA-N 0 3 388.468 0.393 20 0 GCADHN CC(C)[C@@H](C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)N(C)C ZINC000069791076 1186637624 /nfs/dbraw/zinc/63/76/24/1186637624.db2.gz IYVWIXOPKIHQIK-INIZCTEOSA-N 0 3 383.518 0.688 20 0 GCADHN C[C@@H]1c2cccn2CCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000657592900 1186657982 /nfs/dbraw/zinc/65/79/82/1186657982.db2.gz ZFVHNBDEFRLROJ-MRXNPFEDSA-N 0 3 387.484 0.158 20 0 GCADHN CC(C)CC(=O)N[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC000153214556 1186658817 /nfs/dbraw/zinc/65/88/17/1186658817.db2.gz QVMQNEZFEVOPQC-SJLPKXTDSA-N 0 3 380.533 0.938 20 0 GCADHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)[C@H](CNCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001087224595 1186661456 /nfs/dbraw/zinc/66/14/56/1186661456.db2.gz JJTAMJQCQVWVHP-XFKAJCMBSA-N 0 3 388.512 0.847 20 0 GCADHN Cn1cc(-c2nc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cs2)cn1 ZINC000152596884 1186666552 /nfs/dbraw/zinc/66/65/52/1186666552.db2.gz CGQCWJAXUYXSLX-HNNXBMFYSA-N 0 3 388.497 0.922 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000152598906 1186666757 /nfs/dbraw/zinc/66/67/57/1186666757.db2.gz DIACXPGTBSYKHF-YRXWBPOGSA-N 0 3 394.560 0.885 20 0 GCADHN CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)[C@H]3CN4CCN3CCC4)C2)ccn1 ZINC000582792600 1186678505 /nfs/dbraw/zinc/67/85/05/1186678505.db2.gz QFQFSKLBYUJHDF-SJLPKXTDSA-N 0 3 387.484 0.201 20 0 GCADHN CC(C)n1ncc2ccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)cc21 ZINC000582797215 1186680180 /nfs/dbraw/zinc/68/01/80/1186680180.db2.gz JXNMXLMEXARFJN-CABCVRRESA-N 0 3 384.440 0.326 20 0 GCADHN CCN1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000119751903 1186686544 /nfs/dbraw/zinc/68/65/44/1186686544.db2.gz QILCTZFFIBCRPL-GOSISDBHSA-N 0 3 394.541 0.593 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CCCS1(=O)=O ZINC000119826449 1186687988 /nfs/dbraw/zinc/68/79/88/1186687988.db2.gz QWBHXIRLIOPKQM-RDJZCZTQSA-N 0 3 380.514 0.842 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000582849460 1186711613 /nfs/dbraw/zinc/71/16/13/1186711613.db2.gz MTGXTJOQIDWZTP-UHFFFAOYSA-N 0 3 380.474 0.567 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cccc5ccccc54)C3)CCN2C1=O ZINC000582857540 1186713535 /nfs/dbraw/zinc/71/35/35/1186713535.db2.gz UJQWZNYOUJNKNG-SOLBZPMBSA-N 0 3 392.459 0.963 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccc(N2CCCC2)c1 ZINC000582856686 1186713542 /nfs/dbraw/zinc/71/35/42/1186713542.db2.gz PVSQVNSOGZWGOI-WBAXXEDZSA-N 0 3 399.495 0.234 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccc(N2CCCC2)c1 ZINC000582856679 1186713750 /nfs/dbraw/zinc/71/37/50/1186713750.db2.gz PVSQVNSOGZWGOI-BMGDILEWSA-N 0 3 399.495 0.234 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cccc5ccccc54)C3)CCN2C1=O ZINC000582857538 1186713829 /nfs/dbraw/zinc/71/38/29/1186713829.db2.gz UJQWZNYOUJNKNG-JFIYKMOQSA-N 0 3 392.459 0.963 20 0 GCADHN CCC(CC)N1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1=O ZINC000152611970 1186724044 /nfs/dbraw/zinc/72/40/44/1186724044.db2.gz ULZQEZQUALLNSQ-DOTOQJQBSA-N 0 3 378.517 0.789 20 0 GCADHN COCCCOc1cccc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000582915834 1186729988 /nfs/dbraw/zinc/72/99/88/1186729988.db2.gz PSCQHVCPWWQKIY-RDJZCZTQSA-N 0 3 376.457 0.555 20 0 GCADHN Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000121986121 1186730942 /nfs/dbraw/zinc/73/09/42/1186730942.db2.gz XVIKYCDOJIPMIX-YZYPPFLQSA-N 0 3 383.500 0.979 20 0 GCADHN O=C(NC[C@H]1CNCCO1)N1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000582954610 1186735814 /nfs/dbraw/zinc/73/58/14/1186735814.db2.gz DZXOKJZTUMBHRQ-GFCCVEGCSA-N 0 3 378.454 0.950 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)on1 ZINC000582128470 1186745355 /nfs/dbraw/zinc/74/53/55/1186745355.db2.gz QQTUBFMHMJLKRA-KRWDZBQOSA-N 0 3 391.516 0.864 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000162219734 1186746367 /nfs/dbraw/zinc/74/63/67/1186746367.db2.gz ZMUIWFPWNRCQCU-SFHVURJKSA-N 0 3 384.480 0.911 20 0 GCADHN Cc1cc(=O)n2nc(CN3CCN(C(=O)[C@@H]4CCCN4C)CC3)sc2n1 ZINC000162290214 1186749059 /nfs/dbraw/zinc/74/90/59/1186749059.db2.gz SLWAQDIIOILBHW-ZDUSSCGKSA-N 0 3 376.486 0.198 20 0 GCADHN N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000238082449 1186758076 /nfs/dbraw/zinc/75/80/76/1186758076.db2.gz XBNDIDCCMYWWLX-SFHVURJKSA-N 0 3 381.480 0.807 20 0 GCADHN CN(C)C(=O)Cc1nc(CN2CCN(C(=O)[C@H]3CCCN3C)CC2)cs1 ZINC000162377610 1186759700 /nfs/dbraw/zinc/75/97/00/1186759700.db2.gz ASLKLMJVYLYJBD-OAHLLOKOSA-N 0 3 379.530 0.512 20 0 GCADHN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583095224 1186769780 /nfs/dbraw/zinc/76/97/80/1186769780.db2.gz BHAGBRGIIDQANG-ZIAGYGMSSA-N 0 3 383.408 0.359 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccnn2-c2ccccc2C)CC1 ZINC000123405253 1186775642 /nfs/dbraw/zinc/77/56/42/1186775642.db2.gz QYSBLTZNBAYFNR-UHFFFAOYSA-N 0 3 384.484 0.873 20 0 GCADHN Cn1ccc(N2CCC[C@@H](NC[C@H](O)CN3C(=O)c4ccccc4C3=O)C2=O)n1 ZINC000583139003 1186779667 /nfs/dbraw/zinc/77/96/67/1186779667.db2.gz RRKKKHWDCFCIAV-XJKSGUPXSA-N 0 3 397.435 0.162 20 0 GCADHN CO[C@@H]1C[C@@H](N(C)C(=O)NCCCCN2CCN(CCO)CC2)C12CCC2 ZINC000458400315 1186779690 /nfs/dbraw/zinc/77/96/90/1186779690.db2.gz QYEQSSLWODCOQW-QZTJIDSGSA-N 0 3 382.549 0.976 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)[C@H](C)CN1 ZINC000583134012 1186779708 /nfs/dbraw/zinc/77/97/08/1186779708.db2.gz KBFPUCIQWALHTM-LMMKCTJWSA-N 0 3 387.528 0.300 20 0 GCADHN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000611749891 1186782130 /nfs/dbraw/zinc/78/21/30/1186782130.db2.gz DNUWRJWZBOLCPT-CQSZACIVSA-N 0 3 379.505 0.844 20 0 GCADHN COC(=O)CCN(Cc1cccc(F)c1F)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000583204427 1186795004 /nfs/dbraw/zinc/79/50/04/1186795004.db2.gz QDKRNGAQANISLR-KRWDZBQOSA-N 0 3 385.411 0.956 20 0 GCADHN COc1ccc(-c2cc(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)[nH]n2)cc1OC ZINC000583214606 1186798273 /nfs/dbraw/zinc/79/82/73/1186798273.db2.gz HJGVUXJTRLUUBM-STQMWFEESA-N 0 3 385.424 0.478 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC000583252546 1186809163 /nfs/dbraw/zinc/80/91/63/1186809163.db2.gz PPLFZJLUKNQMBN-IAGOWNOFSA-N 0 3 379.509 0.440 20 0 GCADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000685110008 1186813599 /nfs/dbraw/zinc/81/35/99/1186813599.db2.gz RIYLVIIQBFOSKL-OALUTQOASA-N 0 3 389.496 0.623 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCc3sccc3C2)CC1 ZINC000162820644 1186816189 /nfs/dbraw/zinc/81/61/89/1186816189.db2.gz BUQQGMQNCUGJBZ-MRXNPFEDSA-N 0 3 376.526 0.871 20 0 GCADHN CCN1CCN([C@H]2CCN(CC(=O)NC3(C(=O)OC)CCCCC3)C2)CC1 ZINC000155679386 1186822377 /nfs/dbraw/zinc/82/23/77/1186822377.db2.gz MIAFADKIGDEPOK-KRWDZBQOSA-N 0 3 380.533 0.690 20 0 GCADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000685119997 1186826828 /nfs/dbraw/zinc/82/68/28/1186826828.db2.gz NXNXTFOZAQPSFE-FUHWJXTLSA-N 0 3 388.512 0.996 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)CC1=O ZINC000583337706 1186831668 /nfs/dbraw/zinc/83/16/68/1186831668.db2.gz FKIVMJJRSCQWIJ-AWEZNQCLSA-N 0 3 390.484 0.751 20 0 GCADHN CC(=O)c1ccc(N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)c(F)c1 ZINC000262278046 1186833047 /nfs/dbraw/zinc/83/30/47/1186833047.db2.gz YYGOPWHZGPWUNT-SFHVURJKSA-N 0 3 378.448 0.776 20 0 GCADHN CN(C)[C@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)Cc1ccccc1 ZINC000052302729 1186836205 /nfs/dbraw/zinc/83/62/05/1186836205.db2.gz UMBONPKMRUIRQI-KRWDZBQOSA-N 0 3 398.529 0.121 20 0 GCADHN CN(C)[C@@H](CNC(=O)NCCS(=O)(=O)N1CCOCC1)Cc1ccccc1 ZINC000052302733 1186836301 /nfs/dbraw/zinc/83/63/01/1186836301.db2.gz UMBONPKMRUIRQI-QGZVFWFLSA-N 0 3 398.529 0.121 20 0 GCADHN COCCN1CCC(NC(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)CC1 ZINC000892335122 1186844304 /nfs/dbraw/zinc/84/43/04/1186844304.db2.gz PMSZCKXPLZPZAJ-CQSZACIVSA-N 0 3 379.461 0.915 20 0 GCADHN COC(=O)Cn1cc(CCN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)nn1 ZINC000156183846 1186844629 /nfs/dbraw/zinc/84/46/29/1186844629.db2.gz BKPGKBLCYURCQO-HNNXBMFYSA-N 0 3 377.489 0.964 20 0 GCADHN CC[C@H](C)N[C@H](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)c1ccco1 ZINC000583400494 1186845659 /nfs/dbraw/zinc/84/56/59/1186845659.db2.gz DURDBNFGRUSWEL-GXTWGEPZSA-N 0 3 383.474 0.537 20 0 GCADHN CN(C)[C@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)Cc1ccccc1 ZINC000536013762 1186847495 /nfs/dbraw/zinc/84/74/95/1186847495.db2.gz MRAOQFWUHJQANB-HNNXBMFYSA-N 0 3 381.436 0.937 20 0 GCADHN COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1=O ZINC000458540562 1186862023 /nfs/dbraw/zinc/86/20/23/1186862023.db2.gz RKDYCDZZNUZKLG-CVEARBPZSA-N 0 3 390.484 0.947 20 0 GCADHN CCOCC[C@@H](O)CNCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000583495009 1186870941 /nfs/dbraw/zinc/87/09/41/1186870941.db2.gz NOHJATYRGAXUBP-QGZVFWFLSA-N 0 3 385.530 0.500 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000127656497 1186871445 /nfs/dbraw/zinc/87/14/45/1186871445.db2.gz HRSLTGQDDUNIEF-ZDUSSCGKSA-N 0 3 398.385 0.807 20 0 GCADHN CN(C)[C@H](CNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000022757617 1186877609 /nfs/dbraw/zinc/87/76/09/1186877609.db2.gz CEBNCYIXBDKLCS-MRXNPFEDSA-N 0 3 381.436 0.665 20 0 GCADHN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000278296922 1186878547 /nfs/dbraw/zinc/87/85/47/1186878547.db2.gz CFWVCDRDGLOCPY-BETUJISGSA-N 0 3 382.438 0.442 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000413527821 1186879030 /nfs/dbraw/zinc/87/90/30/1186879030.db2.gz BXDNCSJFNVGOQC-INIZCTEOSA-N 0 3 385.516 0.651 20 0 GCADHN CCc1n[nH]c(=O)c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1CC ZINC000128202302 1186883308 /nfs/dbraw/zinc/88/33/08/1186883308.db2.gz JIHGWEDEQOUQSB-HNNXBMFYSA-N 0 3 377.489 0.567 20 0 GCADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000583550861 1186884018 /nfs/dbraw/zinc/88/40/18/1186884018.db2.gz AQXPAWFIJMWUAH-UHFFFAOYSA-N 0 3 396.532 0.415 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnc(C(C)(C)C)nc2)CC1=O ZINC000583561103 1186886328 /nfs/dbraw/zinc/88/63/28/1186886328.db2.gz ZSGKQRPRPCCKIJ-OAHLLOKOSA-N 0 3 377.489 0.683 20 0 GCADHN O=C(N[C@H]1CCCN(CCCO)C1)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000458594508 1186889804 /nfs/dbraw/zinc/88/98/04/1186889804.db2.gz XEUAFCSMZXKLSA-STQMWFEESA-N 0 3 380.411 0.686 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000278328903 1186892397 /nfs/dbraw/zinc/89/23/97/1186892397.db2.gz LUZOQGITYAQVPD-UHFFFAOYSA-N 0 3 376.465 0.295 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)C1 ZINC000668682150 1186893110 /nfs/dbraw/zinc/89/31/10/1186893110.db2.gz YPQLSSVWPZSOOD-OAHLLOKOSA-N 0 3 381.498 0.567 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000583589081 1186893375 /nfs/dbraw/zinc/89/33/75/1186893375.db2.gz BZCLECMLZNUXRR-JKSUJKDBSA-N 0 3 396.532 0.367 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)CC1 ZINC000151060990 1186895253 /nfs/dbraw/zinc/89/52/53/1186895253.db2.gz PQCSSKASVQKCKK-INIZCTEOSA-N 0 3 394.422 0.460 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)n1 ZINC000413528572 1186899600 /nfs/dbraw/zinc/89/96/00/1186899600.db2.gz GTJDEAZOYYIDBN-FQEVSTJZSA-N 0 3 398.467 0.554 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000583642605 1186906526 /nfs/dbraw/zinc/90/65/26/1186906526.db2.gz LZEKQFFQTJJIFY-BVGQSLNGSA-N 0 3 384.480 0.513 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000583642607 1186906550 /nfs/dbraw/zinc/90/65/50/1186906550.db2.gz LZEKQFFQTJJIFY-JEBQAFNWSA-N 0 3 384.480 0.513 20 0 GCADHN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000129375561 1186917080 /nfs/dbraw/zinc/91/70/80/1186917080.db2.gz QYWLPWKAJLCDDL-LJQANCHMSA-N 0 3 388.512 0.545 20 0 GCADHN COCCN(CCN(C)C)C(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000536107349 1186923213 /nfs/dbraw/zinc/92/32/13/1186923213.db2.gz PCKYDXKWIDSWIT-UHFFFAOYSA-N 0 3 380.470 0.532 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@H](O)COc2c(OC)cccc2OC)C1 ZINC000278386864 1186926068 /nfs/dbraw/zinc/92/60/68/1186926068.db2.gz UYFMSOSYXUAHCS-IXDOHACOSA-N 0 3 399.484 0.789 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000278400125 1186930906 /nfs/dbraw/zinc/93/09/06/1186930906.db2.gz WHSCMBFPBMYCFB-MISYRCLQSA-N 0 3 393.528 0.751 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)NCC3(C)COC3)CC2)C[C@H](C)O1 ZINC000561994435 1186931032 /nfs/dbraw/zinc/93/10/32/1186931032.db2.gz YCCHXOHEEKMWHO-IYBDPMFKSA-N 0 3 381.517 0.877 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3c3ncccn3)CCN2C1=O ZINC000583763726 1186934554 /nfs/dbraw/zinc/93/45/54/1186934554.db2.gz IUGGTTDMMACCSO-MTSZKFMLSA-N 0 3 384.484 0.385 20 0 GCADHN O=C(CN1CCN(C(=O)CN2CCCC2)CC1)NC1CCC2(CC1)OCCO2 ZINC000728575883 1186936107 /nfs/dbraw/zinc/93/61/07/1186936107.db2.gz LTFRYRZHPAGNJX-UHFFFAOYSA-N 0 3 394.516 0.028 20 0 GCADHN O=C(CN1CCN(C(=O)CN2CCCC2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000728575924 1186936317 /nfs/dbraw/zinc/93/63/17/1186936317.db2.gz NKNCLPKALBWMMH-UHFFFAOYSA-N 0 3 386.456 0.447 20 0 GCADHN CC1(C)CCCN(CCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000574891859 1186940387 /nfs/dbraw/zinc/94/03/87/1186940387.db2.gz LKFIVKGDBNEJME-CABCVRRESA-N 0 3 385.530 0.260 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H](CC[NH3+])C(F)F)CCCC1 ZINC000583813172 1186943250 /nfs/dbraw/zinc/94/32/50/1186943250.db2.gz CAWCCQYCOKOXTH-LLVKDONJSA-N 0 3 394.444 0.981 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)CCN2C1=O ZINC000583824001 1186946006 /nfs/dbraw/zinc/94/60/06/1186946006.db2.gz PMPLAZZKZDJGPK-RRFJBIMHSA-N 0 3 376.844 0.463 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000685214761 1186948753 /nfs/dbraw/zinc/94/87/53/1186948753.db2.gz MGFYTROBIIHUQM-KZNAEPCWSA-N 0 3 386.496 0.750 20 0 GCADHN CC(C)CN1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329494625 1186951399 /nfs/dbraw/zinc/95/13/99/1186951399.db2.gz UPTMISXGKBXFLM-GOSISDBHSA-N 0 3 380.533 0.500 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCCc3nc4c(s3)CCCC4)CCN2C1=O ZINC000583883894 1186957232 /nfs/dbraw/zinc/95/72/32/1186957232.db2.gz KLLXSRKFRCMEPF-OLZOCXBDSA-N 0 3 377.514 0.908 20 0 GCADHN Cc1nc(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cs1 ZINC000583883667 1186957724 /nfs/dbraw/zinc/95/77/24/1186957724.db2.gz XZLIYDCBNXBBRU-OCCSQVGLSA-N 0 3 399.476 0.827 20 0 GCADHN COc1cc(C)c([C@H](C)NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC ZINC000583945676 1186965442 /nfs/dbraw/zinc/96/54/42/1186965442.db2.gz CKTXYOAXWYLULI-OFQRWUPVSA-N 0 3 390.484 0.433 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C12CCCCC2 ZINC000583945822 1186965459 /nfs/dbraw/zinc/96/54/59/1186965459.db2.gz HPUUOSXVEDBRJC-FXUDXRNXSA-N 0 3 392.500 0.001 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCN(c2cccs2)CC1 ZINC000151215916 1186965598 /nfs/dbraw/zinc/96/55/98/1186965598.db2.gz QSABTNDIIHWFPZ-UHFFFAOYSA-N 0 3 395.573 0.970 20 0 GCADHN COc1cc(C)c([C@H](C)NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC ZINC000583945674 1186965627 /nfs/dbraw/zinc/96/56/27/1186965627.db2.gz CKTXYOAXWYLULI-DZKIICNBSA-N 0 3 390.484 0.433 20 0 GCADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C12CCCCC2 ZINC000583945824 1186965689 /nfs/dbraw/zinc/96/56/89/1186965689.db2.gz HPUUOSXVEDBRJC-XUWVNRHRSA-N 0 3 392.500 0.001 20 0 GCADHN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583943741 1186965723 /nfs/dbraw/zinc/96/57/23/1186965723.db2.gz ROVABWODLLYZKL-IKGGRYGDSA-N 0 3 379.526 0.980 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000278523546 1186968893 /nfs/dbraw/zinc/96/88/93/1186968893.db2.gz YMRLCYPNCSFOND-RHSMWYFYSA-N 0 3 390.488 0.420 20 0 GCADHN Cn1nnc(CNC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)n1 ZINC000427927142 1186969578 /nfs/dbraw/zinc/96/95/78/1186969578.db2.gz BEHGKMCRMPQCGK-UHFFFAOYSA-N 0 3 389.485 0.056 20 0 GCADHN O=C(Cc1ccc2c(c1)OCCO2)NCCCCN1CCN(CCO)CC1 ZINC000536173811 1186970222 /nfs/dbraw/zinc/97/02/22/1186970222.db2.gz HVKHTAQKBXBPGN-UHFFFAOYSA-N 0 3 377.485 0.507 20 0 GCADHN C[C@H](C(=O)N(C)CC(=O)N1CCN(CC2CCOCC2)CC1)n1cccn1 ZINC000329601669 1186972626 /nfs/dbraw/zinc/97/26/26/1186972626.db2.gz QJOGPMAKNXJJSA-MRXNPFEDSA-N 0 3 377.489 0.473 20 0 GCADHN COc1ccc([C@H](CNC(=O)CN2C[C@@H](O)[C@@H](O)C2)N2CCCCC2)cc1 ZINC000278543334 1186973151 /nfs/dbraw/zinc/97/31/51/1186973151.db2.gz AIWROIRHBJBJCL-GBESFXJTSA-N 0 3 377.485 0.376 20 0 GCADHN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)N[C@@H]1CCCN(CCCO)C1 ZINC000458754282 1186975475 /nfs/dbraw/zinc/97/54/75/1186975475.db2.gz KVUWQYHXWUFYOK-KGLIPLIRSA-N 0 3 382.427 0.396 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3COCC[C@H]3O)c2)CC1 ZINC000635380547 1186976612 /nfs/dbraw/zinc/97/66/12/1186976612.db2.gz RMOJRKUZFFFAGP-IAGOWNOFSA-N 0 3 376.457 0.033 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CCC(O)(CC)CC2)CC1 ZINC000685253501 1186980559 /nfs/dbraw/zinc/98/05/59/1186980559.db2.gz JNTBWZAYCOXGNZ-ZRZPHAQCSA-N 0 3 382.549 0.576 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CCC(O)(CC)CC2)CC1 ZINC000685253499 1186980741 /nfs/dbraw/zinc/98/07/41/1186980741.db2.gz JNTBWZAYCOXGNZ-VXESANQCSA-N 0 3 382.549 0.576 20 0 GCADHN O=C(NC[C@@H]1CCCN(CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001023500622 1186983206 /nfs/dbraw/zinc/98/32/06/1186983206.db2.gz WNIKWKXLVIDONN-GNRYUNBRSA-N 0 3 375.469 0.387 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cn1c2ccccc2c(=O)[nH]c1=O ZINC000278584177 1186985284 /nfs/dbraw/zinc/98/52/84/1186985284.db2.gz YTWUYELRIWGJGM-CQSZACIVSA-N 0 3 386.452 0.814 20 0 GCADHN O=C(CNC[C@@H](O)CN1C(=O)c2ccccc2C1=O)N1CCc2ccccc2C1 ZINC000584048039 1186988644 /nfs/dbraw/zinc/98/86/44/1186988644.db2.gz AGNVPDCPZRVRIM-QGZVFWFLSA-N 0 3 393.443 0.818 20 0 GCADHN CCn1c(=O)[nH]c2cc(C(=O)N3CCC[C@H](n4cc(CN)nn4)C3)ccc2c1=O ZINC000584052284 1186990097 /nfs/dbraw/zinc/99/00/97/1186990097.db2.gz AQQXBCOEHFGUKX-AWEZNQCLSA-N 0 3 397.439 0.650 20 0 GCADHN CCn1c(=O)[nH]c2cc(C(=O)N3CCC[C@@H](n4cc(CN)nn4)C3)ccc2c1=O ZINC000584052285 1186990371 /nfs/dbraw/zinc/99/03/71/1186990371.db2.gz AQQXBCOEHFGUKX-CQSZACIVSA-N 0 3 397.439 0.650 20 0 GCADHN Cc1cnccc1OC1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000278614601 1186995316 /nfs/dbraw/zinc/99/53/16/1186995316.db2.gz MUUYHJZLIATGSD-UHFFFAOYSA-N 0 3 398.467 0.681 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000548818022 1186999426 /nfs/dbraw/zinc/99/94/26/1186999426.db2.gz IQXILTQEDSZVAI-ZDUSSCGKSA-N 0 3 383.470 0.341 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCO[C@H](COC(C)C)C2)CC1 ZINC000584103866 1186999925 /nfs/dbraw/zinc/99/99/25/1186999925.db2.gz UUXRHKXHDAKPAU-MSOLQXFVSA-N 0 3 398.548 0.029 20 0 GCADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635499529 1187006208 /nfs/dbraw/zinc/00/62/08/1187006208.db2.gz FZCMFYZGEMNZSU-AEFFLSMTSA-N 0 3 380.533 0.689 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCCc3cn[nH]c3)cc21 ZINC000584143948 1187006266 /nfs/dbraw/zinc/00/62/66/1187006266.db2.gz YHGLALMOIQJHPX-UHFFFAOYSA-N 0 3 386.412 0.177 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CC(=O)N1C ZINC000584191735 1187014138 /nfs/dbraw/zinc/01/41/38/1187014138.db2.gz BNJRXAIFZVIPFM-INIZCTEOSA-N 0 3 378.517 0.838 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)CCC(=O)N3CCc4sccc4C3)CCN2C1=O ZINC000584243333 1187020654 /nfs/dbraw/zinc/02/06/54/1187020654.db2.gz XHIILAXTJBFKPL-KGLIPLIRSA-N 0 3 376.482 0.183 20 0 GCADHN N[C@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)[nH]c(=O)n4CC(F)(F)F)CCN2C1=O ZINC000584242681 1187020735 /nfs/dbraw/zinc/02/07/35/1187020735.db2.gz BWDXYMMMDZSACI-QWRGUYRKSA-N 0 3 397.357 0.688 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)[nH]c(=O)n4CC(F)(F)F)CCN2C1=O ZINC000584242682 1187020851 /nfs/dbraw/zinc/02/08/51/1187020851.db2.gz BWDXYMMMDZSACI-WDEREUQCSA-N 0 3 397.357 0.688 20 0 GCADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000584260269 1187022823 /nfs/dbraw/zinc/02/28/23/1187022823.db2.gz WZBHZYSUPIAGPA-GVDBMIGSSA-N 0 3 399.532 0.095 20 0 GCADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000584260270 1187022840 /nfs/dbraw/zinc/02/28/40/1187022840.db2.gz WZBHZYSUPIAGPA-ZACQAIPSSA-N 0 3 399.532 0.095 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)CC1 ZINC000584297723 1187028115 /nfs/dbraw/zinc/02/81/15/1187028115.db2.gz XBHBZCNJWFELFN-MGPUTAFESA-N 0 3 397.516 0.398 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)CCN2C1=O ZINC000584302823 1187028986 /nfs/dbraw/zinc/02/89/86/1187028986.db2.gz OPQGKPUPAYCCPN-TZMCWYRMSA-N 0 3 394.859 0.955 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000584343138 1187035039 /nfs/dbraw/zinc/03/50/39/1187035039.db2.gz ADHJIUCHNUYZHE-ZDUSSCGKSA-N 0 3 382.486 0.476 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)CCC1CCOCC1 ZINC000584342380 1187035244 /nfs/dbraw/zinc/03/52/44/1187035244.db2.gz IRIKIEOXKOMSML-QGZVFWFLSA-N 0 3 396.532 0.320 20 0 GCADHN COCCNCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000584349801 1187036357 /nfs/dbraw/zinc/03/63/57/1187036357.db2.gz RDYURWCHIPIQAH-MRXNPFEDSA-N 0 3 381.498 0.606 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)Cc1ccccc1 ZINC000584362526 1187039712 /nfs/dbraw/zinc/03/97/12/1187039712.db2.gz FKGBZAYLDWVJDP-RCCFBDPRSA-N 0 3 386.496 0.388 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)Cc1ccccc1 ZINC000584362525 1187039893 /nfs/dbraw/zinc/03/98/93/1187039893.db2.gz FKGBZAYLDWVJDP-OKZBNKHCSA-N 0 3 386.496 0.388 20 0 GCADHN O=C(CN1CCN(C(=O)CN2CCCC3(CCCC3)C2)CC1)N1CCOCC1 ZINC000445849472 1187052843 /nfs/dbraw/zinc/05/28/43/1187052843.db2.gz LSMOEORVSSPJSY-UHFFFAOYSA-N 0 3 392.544 0.646 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000139463426 1187076804 /nfs/dbraw/zinc/07/68/04/1187076804.db2.gz JALMVVNRVPXGEP-OAHLLOKOSA-N 0 3 399.517 0.792 20 0 GCADHN C[C@@H](CNC(=O)CCSc1ncnc2[nH]cnc21)CN1CCN(C)CC1 ZINC000635560334 1187090825 /nfs/dbraw/zinc/09/08/25/1187090825.db2.gz KYDQWMQJXSTWKO-ZDUSSCGKSA-N 0 3 377.518 0.835 20 0 GCADHN C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CN(C)CCO1 ZINC000685342485 1187108221 /nfs/dbraw/zinc/10/82/21/1187108221.db2.gz YWNCWSRDCGSIAW-HOCLYGCPSA-N 0 3 382.530 0.474 20 0 GCADHN C[C@@H](NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C1=CCN(C)CC1 ZINC000511271662 1187110189 /nfs/dbraw/zinc/11/01/89/1187110189.db2.gz XGQXKWXIPQEWFP-GDBMZVCRSA-N 0 3 388.534 0.425 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2nnc3n2CCOC3)C1 ZINC000685484577 1187134972 /nfs/dbraw/zinc/13/49/72/1187134972.db2.gz JWMXMGYWRNRWPM-MRXNPFEDSA-N 0 3 398.467 0.157 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000685520153 1187142717 /nfs/dbraw/zinc/14/27/17/1187142717.db2.gz BQXWFYQFXGFQCO-IAGOWNOFSA-N 0 3 380.533 0.546 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000685520152 1187142849 /nfs/dbraw/zinc/14/28/49/1187142849.db2.gz BQXWFYQFXGFQCO-DLBZAZTESA-N 0 3 380.533 0.546 20 0 GCADHN Cn1ccnc1[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCO1 ZINC000611937278 1187145209 /nfs/dbraw/zinc/14/52/09/1187145209.db2.gz FLGQATRAKAEPFB-ILXRZTDVSA-N 0 3 377.489 0.745 20 0 GCADHN Cn1ccnc1[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCO1 ZINC000611937279 1187145384 /nfs/dbraw/zinc/14/53/84/1187145384.db2.gz FLGQATRAKAEPFB-KFWWJZLASA-N 0 3 377.489 0.745 20 0 GCADHN COC(=O)[C@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@@H]1C(=O)OC ZINC000511301920 1187148911 /nfs/dbraw/zinc/14/89/11/1187148911.db2.gz BVPZIVRZUZBVRN-RDJZCZTQSA-N 0 3 396.484 0.975 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000246880636 1187152158 /nfs/dbraw/zinc/15/21/58/1187152158.db2.gz DIACXPGTBSYKHF-HCXYKTFWSA-N 0 3 394.560 0.885 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000152796043 1187155023 /nfs/dbraw/zinc/15/50/23/1187155023.db2.gz CIEISLMFPWMVDY-MRXNPFEDSA-N 0 3 398.467 0.829 20 0 GCADHN O=C(NCc1nc(C[NH2+]C[C@@H]2CCCCO2)cc(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001087258416 1187161527 /nfs/dbraw/zinc/16/15/27/1187161527.db2.gz JTCDGOZUONASPG-GNRYUNBRSA-N 0 3 388.468 0.881 20 0 GCADHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)NCCN2CCSCC2)CC1 ZINC000431618335 1187199014 /nfs/dbraw/zinc/19/90/14/1187199014.db2.gz PQNDEPOTHZUHPI-UHFFFAOYSA-N 0 3 399.605 0.961 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000611980786 1187209749 /nfs/dbraw/zinc/20/97/49/1187209749.db2.gz YMLOOXTZKIWVCW-HOCLYGCPSA-N 0 3 376.432 0.648 20 0 GCADHN O=C(CN1CCC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cccs1 ZINC001098165405 1187240420 /nfs/dbraw/zinc/24/04/20/1187240420.db2.gz ASWURLFQPFUGJK-YUELXQCFSA-N 0 3 376.482 0.954 20 0 GCADHN COc1cccc(OC)c1CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612067107 1187245838 /nfs/dbraw/zinc/24/58/38/1187245838.db2.gz YAPZGGLWCFMVCR-OAHLLOKOSA-N 0 3 391.468 0.690 20 0 GCADHN C[C@H]1CN(CCCCNC(=O)CNS(=O)(=O)c2cccnc2)C[C@H](C)O1 ZINC000612058217 1187246459 /nfs/dbraw/zinc/24/64/59/1187246459.db2.gz XJPYJTHKJFGAMW-GJZGRUSLSA-N 0 3 384.502 0.366 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001024128599 1187258604 /nfs/dbraw/zinc/25/86/04/1187258604.db2.gz WMBSYKGRKNFRGS-MKXGPGLRSA-N 0 3 389.496 0.865 20 0 GCADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000658260959 1187261772 /nfs/dbraw/zinc/26/17/72/1187261772.db2.gz KYFQJJOOEKFSEX-CYBMUJFWSA-N 0 3 376.457 0.868 20 0 GCADHN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000658261814 1187262305 /nfs/dbraw/zinc/26/23/05/1187262305.db2.gz QRNLILRFMRAHSI-CYBMUJFWSA-N 0 3 376.457 0.982 20 0 GCADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(NS(C)(=O)=O)cc2)C1 ZINC000658263622 1187262780 /nfs/dbraw/zinc/26/27/80/1187262780.db2.gz AMVSFAKKQXCSRX-AWEZNQCLSA-N 0 3 382.486 0.986 20 0 GCADHN CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000647385183 1187264654 /nfs/dbraw/zinc/26/46/54/1187264654.db2.gz JELBOLDGVTUTNQ-HZPDHXFCSA-N 0 3 376.505 0.935 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)C[S@@](C)=O)cc2)CC1 ZINC000785206715 1187266255 /nfs/dbraw/zinc/26/62/55/1187266255.db2.gz SIPARNFKNNQMDI-YVORESIASA-N 0 3 394.541 0.992 20 0 GCADHN CCc1nc(S(=O)(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cn1CC1CC1 ZINC000658382596 1187279583 /nfs/dbraw/zinc/27/95/83/1187279583.db2.gz RLILVKGVODWJNN-HNNXBMFYSA-N 0 3 393.517 0.932 20 0 GCADHN CN(Cc1cccc(O)c1)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000658393188 1187285372 /nfs/dbraw/zinc/28/53/72/1187285372.db2.gz WCWJQLPQPHTIAN-QGZVFWFLSA-N 0 3 388.468 0.116 20 0 GCADHN COc1cncc(NC(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)n1 ZINC000658481138 1187316102 /nfs/dbraw/zinc/31/61/02/1187316102.db2.gz FYQPVLWZWTWAQI-UHFFFAOYSA-N 0 3 384.440 0.847 20 0 GCADHN CCNC(=O)c1cccc(NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000148577072 1187326084 /nfs/dbraw/zinc/32/60/84/1187326084.db2.gz MISAKVDJWLUQNA-UHFFFAOYSA-N 0 3 376.457 0.602 20 0 GCADHN CCOc1ccc(N2CCN(C(=O)C(=O)N(C)CCN3CCCC3)CC2)nn1 ZINC000658521648 1187328505 /nfs/dbraw/zinc/32/85/05/1187328505.db2.gz JDMSIUBEKAIVOT-UHFFFAOYSA-N 0 3 390.488 0.078 20 0 GCADHN COc1cccc(OC)c1CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000658523373 1187329448 /nfs/dbraw/zinc/32/94/48/1187329448.db2.gz WSDMKAFPPFWRMS-HNNXBMFYSA-N 0 3 393.484 0.889 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000658522987 1187329611 /nfs/dbraw/zinc/32/96/11/1187329611.db2.gz RZCXXDYRXSXFTP-SFHVURJKSA-N 0 3 393.528 0.973 20 0 GCADHN O=C(C(=O)N1CCCN(C2CCCC2)CC1)N1CCN([C@@H]2CCOC2)CC1 ZINC000658524082 1187329953 /nfs/dbraw/zinc/32/99/53/1187329953.db2.gz RFVTYDFOZCVMJC-GOSISDBHSA-N 0 3 378.517 0.396 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N2CCC(C3CCC3)CC2)CC1 ZINC000658537071 1187330848 /nfs/dbraw/zinc/33/08/48/1187330848.db2.gz TXGUKMPDCOKSJD-UHFFFAOYSA-N 0 3 390.528 0.792 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000685717240 1187348001 /nfs/dbraw/zinc/34/80/01/1187348001.db2.gz XUQGDYFUMJTXIU-KZNAEPCWSA-N 0 3 391.516 0.541 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC000612177794 1187358302 /nfs/dbraw/zinc/35/83/02/1187358302.db2.gz MLNILRLFTGKKJY-CABCVRRESA-N 0 3 388.468 0.517 20 0 GCADHN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000647413389 1187381813 /nfs/dbraw/zinc/38/18/13/1187381813.db2.gz DLTKMSCOXJVEHU-QZTJIDSGSA-N 0 3 395.525 0.336 20 0 GCADHN CN(C[C@H]1COCCO1)C(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000658634981 1187394401 /nfs/dbraw/zinc/39/44/01/1187394401.db2.gz KIXGLIPBBJZLNU-ROUUACIJSA-N 0 3 375.469 0.593 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@@H](CO)O1 ZINC000612220813 1187408580 /nfs/dbraw/zinc/40/85/80/1187408580.db2.gz KTSBPRQINHBQCJ-QAPCUYQASA-N 0 3 390.484 0.018 20 0 GCADHN O=C(NCC1CCN(Cc2ccncc2)CC1)C(=O)N1CCN(CC2CC2)CC1 ZINC000612225749 1187412424 /nfs/dbraw/zinc/41/24/24/1187412424.db2.gz CHZAMEWAVDRIBP-UHFFFAOYSA-N 0 3 399.539 0.964 20 0 GCADHN C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000658716106 1187425597 /nfs/dbraw/zinc/42/55/97/1187425597.db2.gz AGQXWAYZDTYJSV-SFHVURJKSA-N 0 3 390.528 0.492 20 0 GCADHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000375804408 1187426730 /nfs/dbraw/zinc/42/67/30/1187426730.db2.gz IAKKQAWMEBXLDQ-OLEVXBPZSA-N 0 3 387.546 0.518 20 0 GCADHN CCOc1ccc(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)nn1 ZINC000658757409 1187439718 /nfs/dbraw/zinc/43/97/18/1187439718.db2.gz JIHBMRSLTRWINU-OAHLLOKOSA-N 0 3 390.488 0.077 20 0 GCADHN O=C(CCN1CCN([C@H]2CCC[C@@H]2O)CC1)N1CCN(c2ncccn2)CC1 ZINC000375816123 1187440194 /nfs/dbraw/zinc/44/01/94/1187440194.db2.gz RPIOOJNVKSVXKE-ROUUACIJSA-N 0 3 388.516 0.046 20 0 GCADHN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000299500023 1187441895 /nfs/dbraw/zinc/44/18/95/1187441895.db2.gz KJPQWQPPZMQJLD-AWEZNQCLSA-N 0 3 377.470 0.490 20 0 GCADHN C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000299500023 1187441899 /nfs/dbraw/zinc/44/18/99/1187441899.db2.gz KJPQWQPPZMQJLD-AWEZNQCLSA-N 0 3 377.470 0.490 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000299500023 1187441903 /nfs/dbraw/zinc/44/19/03/1187441903.db2.gz KJPQWQPPZMQJLD-AWEZNQCLSA-N 0 3 377.470 0.490 20 0 GCADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000658760391 1187442425 /nfs/dbraw/zinc/44/24/25/1187442425.db2.gz WKUVCMWQOJGGNU-IPMKNSEASA-N 0 3 387.480 0.593 20 0 GCADHN COC[C@H](C)OC[C@H](O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000278787886 1187443965 /nfs/dbraw/zinc/44/39/65/1187443965.db2.gz XNFLNLRKPFIAAQ-VPWXQRGCSA-N 0 3 391.468 0.595 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)C1 ZINC000658777613 1187455938 /nfs/dbraw/zinc/45/59/38/1187455938.db2.gz HYSDVJOEZVQJNV-CQSZACIVSA-N 0 3 397.497 0.779 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)NCCOC)c2)C1 ZINC000658777142 1187457889 /nfs/dbraw/zinc/45/78/89/1187457889.db2.gz DRPKZMIWYVDWLO-INIZCTEOSA-N 0 3 376.457 0.602 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000658777762 1187457985 /nfs/dbraw/zinc/45/79/85/1187457985.db2.gz IQEQCARUAFRYQW-OAHLLOKOSA-N 0 3 386.452 0.875 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C1 ZINC000658778121 1187458251 /nfs/dbraw/zinc/45/82/51/1187458251.db2.gz KQVMRFAZZGIPGJ-AWEZNQCLSA-N 0 3 376.457 0.936 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 ZINC000658779157 1187460393 /nfs/dbraw/zinc/46/03/93/1187460393.db2.gz SKLXEBLNLRYHOH-GOEBONIOSA-N 0 3 386.452 0.431 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000658780683 1187461231 /nfs/dbraw/zinc/46/12/31/1187461231.db2.gz XUEYXOUIXODHIY-QGZVFWFLSA-N 0 3 388.468 0.698 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)C1 ZINC000658781625 1187462832 /nfs/dbraw/zinc/46/28/32/1187462832.db2.gz AKOVAOAOJUPHCU-CYBMUJFWSA-N 0 3 398.485 0.606 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)C1 ZINC000658781628 1187462882 /nfs/dbraw/zinc/46/28/82/1187462882.db2.gz AKOVAOAOJUPHCU-ZDUSSCGKSA-N 0 3 398.485 0.606 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000612331961 1187463604 /nfs/dbraw/zinc/46/36/04/1187463604.db2.gz QHNQPMPDFRPUHX-LJQANCHMSA-N 0 3 399.605 0.520 20 0 GCADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC[C@@](C)(O)CC2)CC1 ZINC000375907833 1187482754 /nfs/dbraw/zinc/48/27/54/1187482754.db2.gz ZQXYDGXDPXILSY-LJQANCHMSA-N 0 3 387.488 0.249 20 0 GCADHN COCCOc1cc(C)ccc1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584481173 1187492402 /nfs/dbraw/zinc/49/24/02/1187492402.db2.gz CWWGGQZLJITWKW-CVEARBPZSA-N 0 3 376.457 0.474 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cc(C(=O)OC)ccc2OC)CC1 ZINC000278797216 1187496584 /nfs/dbraw/zinc/49/65/84/1187496584.db2.gz MQVBUNKMJSAFST-UHFFFAOYSA-N 0 3 385.486 0.398 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000612481886 1187502754 /nfs/dbraw/zinc/50/27/54/1187502754.db2.gz GMUDIBNJYNOMMN-IAGOWNOFSA-N 0 3 382.549 0.527 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000612480778 1187504257 /nfs/dbraw/zinc/50/42/57/1187504257.db2.gz MWBHSKJCIHMQRA-DLBZAZTESA-N 0 3 378.517 0.694 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000612486582 1187506120 /nfs/dbraw/zinc/50/61/20/1187506120.db2.gz NTHPTMGIXMKADB-INIZCTEOSA-N 0 3 380.533 0.940 20 0 GCADHN CC(C)OCCN1CCN(C(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000612485732 1187506265 /nfs/dbraw/zinc/50/62/65/1187506265.db2.gz LBTMPTZZLIHPGN-GOSISDBHSA-N 0 3 382.549 0.792 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000612485774 1187506381 /nfs/dbraw/zinc/50/63/81/1187506381.db2.gz JBUGGTGWDKBGQF-SFHVURJKSA-N 0 3 387.528 0.962 20 0 GCADHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCC(c2nncn2C)CC1 ZINC000612487603 1187506673 /nfs/dbraw/zinc/50/66/73/1187506673.db2.gz USFZTCYHTJCLSV-OAHLLOKOSA-N 0 3 376.505 0.758 20 0 GCADHN CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CCO1 ZINC000570055055 1187510173 /nfs/dbraw/zinc/51/01/73/1187510173.db2.gz LHPIORGUPSSFEB-MSOLQXFVSA-N 0 3 380.533 0.641 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)CC1 ZINC000626163005 1187510800 /nfs/dbraw/zinc/51/08/00/1187510800.db2.gz CIUCYQNMGWVJCT-OXQOHEQNSA-N 0 3 376.501 0.448 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(-n3ccnn3)ccc2F)CC1 ZINC000612521647 1187513548 /nfs/dbraw/zinc/51/35/48/1187513548.db2.gz BKRCRWFGILULKE-QGZVFWFLSA-N 0 3 386.431 0.785 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 ZINC000612522049 1187513943 /nfs/dbraw/zinc/51/39/43/1187513943.db2.gz FUZMKIZMFJRPPQ-QBPKDAKJSA-N 0 3 376.501 0.446 20 0 GCADHN CCC1(Cn2cc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)nn2)COC1 ZINC000612524040 1187514385 /nfs/dbraw/zinc/51/43/85/1187514385.db2.gz RSCWWLSXWOTILI-MRXNPFEDSA-N 0 3 390.488 0.083 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)[C@H]1c1ccccc1 ZINC000413797272 1187516015 /nfs/dbraw/zinc/51/60/15/1187516015.db2.gz IJICVXIEZIRUIX-RLLQIKCJSA-N 0 3 389.496 0.938 20 0 GCADHN O=C(C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)N1CCC[C@@H]1CN1CCCCC1 ZINC000658803470 1187516035 /nfs/dbraw/zinc/51/60/35/1187516035.db2.gz FFCMJMSSPPYNMT-FGTMMUONSA-N 0 3 379.501 0.870 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413802296 1187518181 /nfs/dbraw/zinc/51/81/81/1187518181.db2.gz UMLFWBMPXTUYFR-IAGOWNOFSA-N 0 3 379.505 0.446 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413802297 1187518483 /nfs/dbraw/zinc/51/84/83/1187518483.db2.gz UMLFWBMPXTUYFR-IRXDYDNUSA-N 0 3 379.505 0.446 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000612551646 1187520866 /nfs/dbraw/zinc/52/08/66/1187520866.db2.gz QNKKAOWPCYVSBX-OAHLLOKOSA-N 0 3 379.892 0.984 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN([C@@H](C)c3nccs3)CC2)C1 ZINC000612545820 1187521732 /nfs/dbraw/zinc/52/17/32/1187521732.db2.gz NFHMLCRDACYMFE-GJZGRUSLSA-N 0 3 379.530 0.949 20 0 GCADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN([C@H](C)c3nccs3)CC2)C1 ZINC000612545821 1187522144 /nfs/dbraw/zinc/52/21/44/1187522144.db2.gz NFHMLCRDACYMFE-HUUCEWRRSA-N 0 3 379.530 0.949 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)C1 ZINC000612552777 1187525193 /nfs/dbraw/zinc/52/51/93/1187525193.db2.gz WZBSGARLPOLGFO-INIZCTEOSA-N 0 3 390.484 0.781 20 0 GCADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCCN(Cc3cscn3)CC2)C1 ZINC000612553005 1187525359 /nfs/dbraw/zinc/52/53/59/1187525359.db2.gz YOOALVYVYORXJH-HNNXBMFYSA-N 0 3 379.530 0.778 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000612594305 1187534751 /nfs/dbraw/zinc/53/47/51/1187534751.db2.gz JOFFFUHDKBEXBW-ROUUACIJSA-N 0 3 379.501 0.774 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000612595471 1187535470 /nfs/dbraw/zinc/53/54/70/1187535470.db2.gz HODMPFWVNUHNND-DOTOQJQBSA-N 0 3 377.441 0.549 20 0 GCADHN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000612594902 1187535958 /nfs/dbraw/zinc/53/59/58/1187535958.db2.gz POSFVSZTMUOHCS-UKRRQHHQSA-N 0 3 382.505 0.118 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000612596960 1187536537 /nfs/dbraw/zinc/53/65/37/1187536537.db2.gz YIZFMCWOSJXNIA-RBUKOAKNSA-N 0 3 387.480 0.956 20 0 GCADHN Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612596399 1187536698 /nfs/dbraw/zinc/53/66/98/1187536698.db2.gz ORNPESBOHXLETO-FUHWJXTLSA-N 0 3 389.500 0.762 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000612605775 1187538003 /nfs/dbraw/zinc/53/80/03/1187538003.db2.gz BXQXCLONXJXUGC-OAGGEKHMSA-N 0 3 378.517 0.835 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000612598139 1187538856 /nfs/dbraw/zinc/53/88/56/1187538856.db2.gz SDTJIWFXRATSCF-AEFFLSMTSA-N 0 3 379.501 0.631 20 0 GCADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N(CCO)Cc1ccccc1 ZINC000612601861 1187540065 /nfs/dbraw/zinc/54/00/65/1187540065.db2.gz TZRZBMZEHGBXCM-GOSISDBHSA-N 0 3 375.469 0.377 20 0 GCADHN COCCN(Cc1ccco1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000612601677 1187540137 /nfs/dbraw/zinc/54/01/37/1187540137.db2.gz SJUYPIIWQWKICF-INIZCTEOSA-N 0 3 379.457 0.624 20 0 GCADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N(CCO)Cc1ccccc1 ZINC000612601864 1187540147 /nfs/dbraw/zinc/54/01/47/1187540147.db2.gz TZRZBMZEHGBXCM-SFHVURJKSA-N 0 3 375.469 0.377 20 0 GCADHN O=C(NCC1(N2CCSCC2)CCCC1)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000376004156 1187541016 /nfs/dbraw/zinc/54/10/16/1187541016.db2.gz QRLSWGFDSRQAMF-HUUCEWRRSA-N 0 3 382.530 0.647 20 0 GCADHN C[C@@H]1CCC[C@@H](CNC(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@@H]1C ZINC000570234287 1187551185 /nfs/dbraw/zinc/55/11/85/1187551185.db2.gz PWNFDGKXYBAMTD-QRVBRYPASA-N 0 3 396.576 0.681 20 0 GCADHN CC(C)(C)CCN1CCN(C(=O)NCCCCn2cc(C(N)=O)nn2)CC1 ZINC000413873482 1187554644 /nfs/dbraw/zinc/55/46/44/1187554644.db2.gz OTNSSYLLJOZKHS-UHFFFAOYSA-N 0 3 379.509 0.921 20 0 GCADHN COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000612717528 1187562731 /nfs/dbraw/zinc/56/27/31/1187562731.db2.gz LBJJUUADNZEDDN-CYBMUJFWSA-N 0 3 380.445 0.617 20 0 GCADHN CC(C)(C)O[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000612736594 1187568933 /nfs/dbraw/zinc/56/89/33/1187568933.db2.gz GIDKOBYCICPSLP-WKILWMFISA-N 0 3 394.516 0.215 20 0 GCADHN O=C(NC[C@@H]1CCCCN1CCCN1C(=O)CNC1=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001024668957 1187569509 /nfs/dbraw/zinc/56/95/09/1187569509.db2.gz ZOZZMPHMHPHSDG-JJXSEGSLSA-N 0 3 378.473 0.467 20 0 GCADHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000612784091 1187583704 /nfs/dbraw/zinc/58/37/04/1187583704.db2.gz JJWFPZSUMYQWJE-GDBMZVCRSA-N 0 3 395.529 0.639 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1nc(-c2cccc(F)c2)no1 ZINC000570412537 1187597295 /nfs/dbraw/zinc/59/72/95/1187597295.db2.gz SRKHRXAQBLQLJJ-LEWSCRJBSA-N 0 3 388.403 0.890 20 0 GCADHN C[C@H](NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CN(C)CCO1 ZINC000133577384 1187613841 /nfs/dbraw/zinc/61/38/41/1187613841.db2.gz FAFQTEHWAGCMMM-PXNSSMCTSA-N 0 3 389.544 0.952 20 0 GCADHN C[C@@H](NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CN(C)CCO1 ZINC000133578030 1187613926 /nfs/dbraw/zinc/61/39/26/1187613926.db2.gz FAFQTEHWAGCMMM-YLJYHZDGSA-N 0 3 389.544 0.952 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2cc(NC(C)=O)ccc2F)CC1 ZINC000148592060 1187618654 /nfs/dbraw/zinc/61/86/54/1187618654.db2.gz XQFFKOCDBJCKAB-UHFFFAOYSA-N 0 3 380.420 0.950 20 0 GCADHN CCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCN(CC)[C@H](C)C3)O2)C[C@H]1C ZINC000612951517 1187625037 /nfs/dbraw/zinc/62/50/37/1187625037.db2.gz FXYNCBZQSKRLOZ-TVFCKZIOSA-N 0 3 380.533 0.639 20 0 GCADHN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000685830490 1187637373 /nfs/dbraw/zinc/63/73/73/1187637373.db2.gz KVCPCUVOTWLUTH-RDJZCZTQSA-N 0 3 393.532 0.787 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000448318233 1187639161 /nfs/dbraw/zinc/63/91/61/1187639161.db2.gz APUNTFMWWJYCIQ-HNNXBMFYSA-N 0 3 390.488 0.337 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000431719933 1187640989 /nfs/dbraw/zinc/64/09/89/1187640989.db2.gz TUBSPKUMVPRPKG-DYVFJYSZSA-N 0 3 387.484 0.764 20 0 GCADHN O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1O)c1ccn2cncc2c1 ZINC001024862626 1187651344 /nfs/dbraw/zinc/65/13/44/1187651344.db2.gz XFSQBVMCOOOUGV-MUIFIZLQSA-N 0 3 380.408 0.163 20 0 GCADHN C(C1CC1)n1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CCN2CCOC[C@H]2C1 ZINC000613080438 1187659729 /nfs/dbraw/zinc/65/97/29/1187659729.db2.gz PXOMWYGYOKIZTK-KURKYZTESA-N 0 3 388.516 0.745 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3cc[nH]n3)n2CC2CC2)CC1 ZINC000613087204 1187661410 /nfs/dbraw/zinc/66/14/10/1187661410.db2.gz GQRABGPQBGARPZ-MRXNPFEDSA-N 0 3 384.488 0.821 20 0 GCADHN CCC[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)S(N)(=O)=O ZINC000613089855 1187662950 /nfs/dbraw/zinc/66/29/50/1187662950.db2.gz YSAYUBYIQBUHND-GVDBMIGSSA-N 0 3 383.514 0.443 20 0 GCADHN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000472511339 1187672068 /nfs/dbraw/zinc/67/20/68/1187672068.db2.gz FRJREOOLOVYWQN-ZDUSSCGKSA-N 0 3 389.456 0.230 20 0 GCADHN CN(C)C(=O)CC1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000511436718 1187677458 /nfs/dbraw/zinc/67/74/58/1187677458.db2.gz MJLOOGDUJHJPFU-QGZVFWFLSA-N 0 3 395.548 0.829 20 0 GCADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1)C1CCC1 ZINC001024907821 1187684990 /nfs/dbraw/zinc/68/49/90/1187684990.db2.gz ZVYXDLCRJLWKLB-BSDSXHPESA-N 0 3 379.501 0.221 20 0 GCADHN C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000472536626 1187727184 /nfs/dbraw/zinc/72/71/84/1187727184.db2.gz MBKXVUPQEYIXGW-YPMHNXCESA-N 0 3 376.413 0.076 20 0 GCADHN CC(C)(C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@H]1O)N1CCCC1 ZINC001025001464 1187742734 /nfs/dbraw/zinc/74/27/34/1187742734.db2.gz QQESIGAOSIFDSG-KLHDSHLOSA-N 0 3 375.469 0.945 20 0 GCADHN CCN1CCN([C@H]2CCN(CC(=O)NC[C@H]3COc4ccccc4O3)C2)CC1 ZINC000332697223 1187755689 /nfs/dbraw/zinc/75/56/89/1187755689.db2.gz ZOCPBNRPQCYYLA-ROUUACIJSA-N 0 3 388.512 0.654 20 0 GCADHN C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@H](C)N1CCOCC1 ZINC000376314712 1187757815 /nfs/dbraw/zinc/75/78/15/1187757815.db2.gz CVFRQPMTCNYWSY-DUQJVZAFSA-N 0 3 395.548 0.478 20 0 GCADHN CCc1c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000332739405 1187759438 /nfs/dbraw/zinc/75/94/38/1187759438.db2.gz HESMPGLUGGGHKA-NHYWBVRUSA-N 0 3 385.468 0.407 20 0 GCADHN CNC(=O)NC(=O)C(C)S(=O)(=O)c1nccn1-c1ccc(OC)cc1C ZINC000414224988 1187775627 /nfs/dbraw/zinc/77/56/27/1187775627.db2.gz RLXFOZDTLKEOQK-LLVKDONJSA-N 0 3 380.426 0.807 20 0 GCADHN CNC(=O)NC(=O)C(C)S(=O)(=O)c1nccn1-c1ccc(OC)cc1C ZINC000414224989 1187775925 /nfs/dbraw/zinc/77/59/25/1187775925.db2.gz RLXFOZDTLKEOQK-NSHDSACASA-N 0 3 380.426 0.807 20 0 GCADHN CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000376348798 1187783601 /nfs/dbraw/zinc/78/36/01/1187783601.db2.gz IYVIUAJTALKGEV-OAHLLOKOSA-N 0 3 380.489 0.794 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1O ZINC001025047910 1187789417 /nfs/dbraw/zinc/78/94/17/1187789417.db2.gz JNEHDNLYXRVYQK-MKXGPGLRSA-N 0 3 389.496 0.865 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC3(CC2)OCc2ccccc23)n1 ZINC000376404044 1187816757 /nfs/dbraw/zinc/81/67/57/1187816757.db2.gz TZGMLKGFCLZGPW-UHFFFAOYSA-N 0 3 384.484 0.966 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1 ZINC000376406834 1187818942 /nfs/dbraw/zinc/81/89/42/1187818942.db2.gz JOPVAMPFWBORPH-GOSISDBHSA-N 0 3 390.492 0.750 20 0 GCADHN C[C@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CCN1S(C)(=O)=O ZINC000249278218 1187821326 /nfs/dbraw/zinc/82/13/26/1187821326.db2.gz FEMUKIDRCYLKMW-DOTOQJQBSA-N 0 3 382.530 0.371 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)Nc2ccc(CCN3CCOCC3)cc2)n1 ZINC000658986864 1187832043 /nfs/dbraw/zinc/83/20/43/1187832043.db2.gz IMLDKKLGNQJSDS-UHFFFAOYSA-N 0 3 386.456 0.837 20 0 GCADHN CCN(C(=O)CN1CCN(CC)C(=O)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186355286 1187833939 /nfs/dbraw/zinc/83/39/39/1187833939.db2.gz HBCNGRFLOWODKH-GOSISDBHSA-N 0 3 386.496 0.800 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000103122881 1187844679 /nfs/dbraw/zinc/84/46/79/1187844679.db2.gz PABINVQNXMZQBF-INIZCTEOSA-N 0 3 376.501 0.544 20 0 GCADHN COc1ccccc1CNC(=O)[C@H](C)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000162661725 1187851497 /nfs/dbraw/zinc/85/14/97/1187851497.db2.gz YJXDRBQJHZOBFR-FUHWJXTLSA-N 0 3 388.512 0.938 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccn(-c4ccccc4)n3)C2)nn1 ZINC000659088494 1187872720 /nfs/dbraw/zinc/87/27/20/1187872720.db2.gz XLNIQTXYEOHNQH-INIZCTEOSA-N 0 3 394.439 0.725 20 0 GCADHN CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)n1 ZINC000376488216 1187880508 /nfs/dbraw/zinc/88/05/08/1187880508.db2.gz YPLVAKYNTSKGKY-LLVKDONJSA-N 0 3 389.464 0.765 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000892650944 1187881529 /nfs/dbraw/zinc/88/15/29/1187881529.db2.gz SDLCLOVFOIDUAK-DOXZYTNZSA-N 0 3 379.505 0.226 20 0 GCADHN CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659110708 1187886935 /nfs/dbraw/zinc/88/69/35/1187886935.db2.gz QRZBSTOPSOHCTE-UHFFFAOYSA-N 0 3 377.376 0.822 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)C1 ZINC000659111905 1187887390 /nfs/dbraw/zinc/88/73/90/1187887390.db2.gz CVEYNYZFCAUDOY-QYZOEREBSA-N 0 3 398.507 0.989 20 0 GCADHN CCc1c(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cnn1CC(C)C ZINC000659110377 1187887921 /nfs/dbraw/zinc/88/79/21/1187887921.db2.gz DSMUUDUUFCOTES-UHFFFAOYSA-N 0 3 375.433 0.311 20 0 GCADHN CNS(=O)(=O)CC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000176916043 1187889846 /nfs/dbraw/zinc/88/98/46/1187889846.db2.gz PQAMJOUPKRFVDN-UHFFFAOYSA-N 0 3 382.530 0.563 20 0 GCADHN CCCN(C(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1)[C@@H]1CCN(C)C1 ZINC000647568663 1187895160 /nfs/dbraw/zinc/89/51/60/1187895160.db2.gz QVWPMBVUWXFLIK-QZTJIDSGSA-N 0 3 380.533 0.500 20 0 GCADHN CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000659159710 1187904020 /nfs/dbraw/zinc/90/40/20/1187904020.db2.gz YKIWWFADXHOCBW-KRWDZBQOSA-N 0 3 380.533 0.500 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CSc2nnnn2C2CC2)CC1 ZINC000587999612 1187918438 /nfs/dbraw/zinc/91/84/38/1187918438.db2.gz JERGWENXXPYXFO-CYBMUJFWSA-N 0 3 379.490 0.041 20 0 GCADHN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000588056578 1187919342 /nfs/dbraw/zinc/91/93/42/1187919342.db2.gz YXSNHKLMRRNJTL-YHAMSUFESA-N 0 3 377.510 0.983 20 0 GCADHN CN(Cc1ccc([S@](C)=O)cc1)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000588056577 1187919733 /nfs/dbraw/zinc/91/97/33/1187919733.db2.gz YXSNHKLMRRNJTL-QMTYFTJSSA-N 0 3 377.510 0.983 20 0 GCADHN COc1ccc(CN(C)C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000642958486 1187922411 /nfs/dbraw/zinc/92/24/11/1187922411.db2.gz DCXUGSQQCPFATK-JSGCOSHPSA-N 0 3 379.457 0.891 20 0 GCADHN CC1CCC(N2CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC2)CC1 ZINC000115565617 1187922421 /nfs/dbraw/zinc/92/24/21/1187922421.db2.gz LBUBBVMUIJRRIH-UHFFFAOYSA-N 0 3 388.578 0.580 20 0 GCADHN C[C@@H](C(=O)NC(N)=O)N(C)CC1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001267600916 1187925169 /nfs/dbraw/zinc/92/51/69/1187925169.db2.gz WJJXCPSJVZTIHO-QCEMKRCNSA-N 0 3 380.489 0.555 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCCO[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000659299529 1187927694 /nfs/dbraw/zinc/92/76/94/1187927694.db2.gz WBUKIKPXFPDYAV-YESZJQIVSA-N 0 3 381.517 0.972 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCCO[C@H](C)C3)CC2)C[C@H](C)O1 ZINC000659299530 1187927747 /nfs/dbraw/zinc/92/77/47/1187927747.db2.gz WBUKIKPXFPDYAV-ZACQAIPSSA-N 0 3 381.517 0.972 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](c3ccco3)C2)CC1 ZINC000659325010 1187944059 /nfs/dbraw/zinc/94/40/59/1187944059.db2.gz VXDYOWWGMCWQDM-MRXNPFEDSA-N 0 3 390.484 0.608 20 0 GCADHN CC1(C)CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@@]2(CCOC2)O1 ZINC000659345246 1187945060 /nfs/dbraw/zinc/94/50/60/1187945060.db2.gz GGKNMSWWIAUXNW-OXJNMPFZSA-N 0 3 379.501 0.870 20 0 GCADHN CC1(C)CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@@]2(CCOC2)O1 ZINC000659345247 1187945502 /nfs/dbraw/zinc/94/55/02/1187945502.db2.gz GGKNMSWWIAUXNW-OXQOHEQNSA-N 0 3 379.501 0.870 20 0 GCADHN C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)N1CCN(c2ccccc2)CC1 ZINC000659434015 1187957330 /nfs/dbraw/zinc/95/73/30/1187957330.db2.gz FCIBYINLISZUJU-HNNXBMFYSA-N 0 3 399.499 0.651 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCS(=O)(=O)c2ccccc2)n1 ZINC000659444910 1187958978 /nfs/dbraw/zinc/95/89/78/1187958978.db2.gz CJKPRRPRVXYABV-UHFFFAOYSA-N 0 3 379.442 0.304 20 0 GCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659449058 1187959307 /nfs/dbraw/zinc/95/93/07/1187959307.db2.gz PJXWPCYCRIZWFC-SNVBAGLBSA-N 0 3 394.457 0.109 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCCC(=O)N2CCc3ccccc32)n1 ZINC000659452617 1187959324 /nfs/dbraw/zinc/95/93/24/1187959324.db2.gz DLDPWDWYBSGCJH-UHFFFAOYSA-N 0 3 384.440 0.810 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000659454117 1187960239 /nfs/dbraw/zinc/96/02/39/1187960239.db2.gz WLFNJFRTCJDMOL-LBPRGKRZSA-N 0 3 390.831 0.899 20 0 GCADHN COc1cc(OC)cc(OCCNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000659470418 1187962407 /nfs/dbraw/zinc/96/24/07/1187962407.db2.gz AISCLRCZIYCAOM-UHFFFAOYSA-N 0 3 377.401 0.536 20 0 GCADHN COCC(C)(C)NCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000178599578 1187962521 /nfs/dbraw/zinc/96/25/21/1187962521.db2.gz PWOZPMLGISZDKF-UHFFFAOYSA-N 0 3 380.464 0.923 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 ZINC000659477629 1187962888 /nfs/dbraw/zinc/96/28/88/1187962888.db2.gz RLBUMRJGLKEJSL-SNVBAGLBSA-N 0 3 392.366 0.524 20 0 GCADHN COc1ccccc1N1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1=O ZINC000659467575 1187962896 /nfs/dbraw/zinc/96/28/96/1187962896.db2.gz RJPMVGPBHUMZCN-LBPRGKRZSA-N 0 3 386.412 0.254 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)n1 ZINC000659467917 1187962923 /nfs/dbraw/zinc/96/29/23/1187962923.db2.gz SBRKVRQSYJRRIH-GFCCVEGCSA-N 0 3 392.366 0.524 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 ZINC000659494889 1187965792 /nfs/dbraw/zinc/96/57/92/1187965792.db2.gz HBNHATGJBIQADF-GFCCVEGCSA-N 0 3 377.449 0.120 20 0 GCADHN C[C@@H](NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C(=O)N1c2ccccc2C[C@H]1C ZINC000659500227 1187966564 /nfs/dbraw/zinc/96/65/64/1187966564.db2.gz GQUTUKQCQBTTNH-VXGBXAGGSA-N 0 3 384.440 0.806 20 0 GCADHN CCCN(CCN1CCCCC1)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O ZINC000935942463 1187967240 /nfs/dbraw/zinc/96/72/40/1187967240.db2.gz NVQGQIXGXWWETF-UHFFFAOYSA-N 0 3 383.518 0.855 20 0 GCADHN COc1ccc(N2C[C@H](NC(=O)NCc3nc(C[NH3+])cc(=O)[n-]3)CC2=O)cc1 ZINC000659564403 1187971735 /nfs/dbraw/zinc/97/17/35/1187971735.db2.gz ILTBFJAXJGYCRV-GFCCVEGCSA-N 0 3 386.412 0.254 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)n1 ZINC000659630609 1187978657 /nfs/dbraw/zinc/97/86/57/1187978657.db2.gz KCOABWLJSGXAKX-KSSFIOAISA-N 0 3 375.404 0.745 20 0 GCADHN CCN(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000659631365 1187978748 /nfs/dbraw/zinc/97/87/48/1187978748.db2.gz DHTJCWGULRPWLB-OAHLLOKOSA-N 0 3 384.440 0.978 20 0 GCADHN NC(=O)[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Cc1ccccc1Cl ZINC000659631357 1187978767 /nfs/dbraw/zinc/97/87/67/1187978767.db2.gz DDEMZSJZKRTRTF-NSHDSACASA-N 0 3 392.847 0.438 20 0 GCADHN CCn1nncc1CNCC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001104691200 1187992167 /nfs/dbraw/zinc/99/21/67/1187992167.db2.gz UAIPEQGANHBURT-SRABZTEZSA-N 0 3 376.505 0.597 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCC2(Sc3ccccc3)CC2)n1 ZINC000659679005 1187992557 /nfs/dbraw/zinc/99/25/57/1187992557.db2.gz QSELPMZNJASVEK-UHFFFAOYSA-N 0 3 387.465 0.698 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2ccc(OC(F)F)cc2)n1 ZINC000659679854 1187993038 /nfs/dbraw/zinc/99/30/38/1187993038.db2.gz GEWRZQCYFSAQDH-UHFFFAOYSA-N 0 3 395.366 0.217 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCc2ccccc2C(F)(F)F)n1 ZINC000659679853 1187993196 /nfs/dbraw/zinc/99/31/96/1187993196.db2.gz FYOWCFAUBRAQCE-UHFFFAOYSA-N 0 3 397.357 0.635 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCCSc2ccc(Cl)cc2)n1 ZINC000659681326 1187993242 /nfs/dbraw/zinc/99/32/42/1187993242.db2.gz ZQRBUUQBQROQPS-UHFFFAOYSA-N 0 3 395.872 0.819 20 0 GCADHN CC[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1cccc(F)c1 ZINC000659679836 1187993362 /nfs/dbraw/zinc/99/33/62/1187993362.db2.gz PLYLPJOEAVEAKS-ZDUSSCGKSA-N 0 3 391.403 0.370 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N[C@H]2CCOc3ccc(F)cc32)n1 ZINC000659675946 1187995140 /nfs/dbraw/zinc/99/51/40/1187995140.db2.gz UKRZNHAKFBABOJ-LBPRGKRZSA-N 0 3 375.360 0.036 20 0 GCADHN CC[C@H](C)Oc1cc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccn1 ZINC000659684264 1187995983 /nfs/dbraw/zinc/99/59/83/1187995983.db2.gz DCFDLWPKJRADNL-NSHDSACASA-N 0 3 388.428 0.146 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000659686027 1187996803 /nfs/dbraw/zinc/99/68/03/1187996803.db2.gz BEKWSXGHLVGXDJ-UWVGGRQHSA-N 0 3 389.378 0.742 20 0 GCADHN CC(C)COC[C@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccco1 ZINC000659688525 1187997381 /nfs/dbraw/zinc/99/73/81/1187997381.db2.gz ZUHLLRKRCXJXFA-ZDUSSCGKSA-N 0 3 391.428 0.380 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1cccc(OC(F)F)c1 ZINC000659698412 1187999322 /nfs/dbraw/zinc/99/93/22/1187999322.db2.gz NDSRESSPYYCTEG-SECBINFHSA-N 0 3 395.366 0.736 20 0 GCADHN C[C@@H](NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccc(OC(F)F)cc1 ZINC000659697844 1187999951 /nfs/dbraw/zinc/99/99/51/1187999951.db2.gz JCRSDBAKYGFWIJ-SECBINFHSA-N 0 3 395.366 0.736 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2CN)cc1 ZINC000659697637 1188001789 /nfs/dbraw/zinc/00/17/89/1188001789.db2.gz SXGKFIMWLBJYRP-OAGGEKHMSA-N 0 3 395.525 0.859 20 0 GCADHN CCSc1cc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)ccn1 ZINC000659708546 1188003500 /nfs/dbraw/zinc/00/35/00/1188003500.db2.gz VRRGPCQSMZZLCH-UHFFFAOYSA-N 0 3 376.442 0.081 20 0 GCADHN CCN(CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)c1ccccc1C ZINC000659699717 1188004785 /nfs/dbraw/zinc/00/47/85/1188004785.db2.gz UTRRTMCOUVASDT-UHFFFAOYSA-N 0 3 386.456 0.208 20 0 GCADHN CCC1(CC)[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C)[C@H]1OC ZINC000659701006 1188005217 /nfs/dbraw/zinc/00/52/17/1188005217.db2.gz BADRBKAJFLLKKU-COLVAYQJSA-N 0 3 379.461 0.213 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)Oc1ccc(Cl)cc1 ZINC000659702854 1188005581 /nfs/dbraw/zinc/00/55/81/1188005581.db2.gz RXZDJTVLHINTEF-SNVBAGLBSA-N 0 3 393.831 0.494 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C)c1cccc(OC)c1 ZINC000659717186 1188006388 /nfs/dbraw/zinc/00/63/88/1188006388.db2.gz FRGSSNLHIZENSQ-RCBQFDQVSA-N 0 3 379.457 0.728 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccnc1N1CCCC1 ZINC000659717543 1188006903 /nfs/dbraw/zinc/00/69/03/1188006903.db2.gz IOVVKRWDRTXHGM-HIFRSBDPSA-N 0 3 375.473 0.527 20 0 GCADHN O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)C(=O)NC[C@H]1CNCCO1 ZINC000659728400 1188011618 /nfs/dbraw/zinc/01/16/18/1188011618.db2.gz NQGYVVWAQMSABE-UONOGXRCSA-N 0 3 380.876 0.387 20 0 GCADHN CCN1CCN([C@H]2CCN(C(=O)NC[C@@H](C(C)C)N3CCOCC3)C2)CC1 ZINC000106525012 1188012368 /nfs/dbraw/zinc/01/23/68/1188012368.db2.gz MBQGCTSDFVJMTD-OALUTQOASA-N 0 3 381.565 0.765 20 0 GCADHN COc1cccc(Cn2nccc2NC(=O)C(=O)N2CCCNCC2)c1OC ZINC000415302792 1188026763 /nfs/dbraw/zinc/02/67/63/1188026763.db2.gz CJBKXJNFWOIQQH-UHFFFAOYSA-N 0 3 387.440 0.709 20 0 GCADHN Cc1c(NC(=O)C(=O)N2CCCNCC2)nnn1CCOc1ccc(F)cc1 ZINC000415309097 1188029643 /nfs/dbraw/zinc/02/96/43/1188029643.db2.gz MMEBSRPYENIRMW-UHFFFAOYSA-N 0 3 390.419 0.565 20 0 GCADHN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)N1CCCNCC1 ZINC000415316535 1188031020 /nfs/dbraw/zinc/03/10/20/1188031020.db2.gz JZLVYYIEWVFVSY-UHFFFAOYSA-N 0 3 390.509 0.944 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000377473846 1188031166 /nfs/dbraw/zinc/03/11/66/1188031166.db2.gz GJIKARSUUPJSPO-HNNXBMFYSA-N 0 3 380.489 0.810 20 0 GCADHN CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCNCC2)cc1 ZINC000415316877 1188031830 /nfs/dbraw/zinc/03/18/30/1188031830.db2.gz KBOIJRXVVWSJKE-UHFFFAOYSA-N 0 3 396.513 0.771 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)CC1 ZINC000377476012 1188032315 /nfs/dbraw/zinc/03/23/15/1188032315.db2.gz HBXHMBJLSSSEEB-KRWDZBQOSA-N 0 3 390.459 0.425 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000377480756 1188037038 /nfs/dbraw/zinc/03/70/38/1188037038.db2.gz FGIXXPDSWCYRFL-HZPDHXFCSA-N 0 3 379.482 0.720 20 0 GCADHN COc1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc(Cl)c1OCC(N)=O ZINC000377481329 1188038338 /nfs/dbraw/zinc/03/83/38/1188038338.db2.gz IXENOFHDFLDLHZ-OLZOCXBDSA-N 0 3 397.859 0.806 20 0 GCADHN CC(C)[C@@H](C(=O)NCC(=O)NCCN1CCCCC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000909323066 1188055292 /nfs/dbraw/zinc/05/52/92/1188055292.db2.gz HPKNRLWYPBNKGG-LMMKCTJWSA-N 0 3 382.549 0.839 20 0 GCADHN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909323052 1188056661 /nfs/dbraw/zinc/05/66/61/1188056661.db2.gz HHNWHZCYQHQNAD-NXADEVLQSA-N 0 3 396.557 0.963 20 0 GCADHN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909323048 1188056760 /nfs/dbraw/zinc/05/67/60/1188056760.db2.gz HHNWHZCYQHQNAD-NHKNYXOTSA-N 0 3 396.557 0.963 20 0 GCADHN C[C@H]1CNCCN1C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000415343309 1188057326 /nfs/dbraw/zinc/05/73/26/1188057326.db2.gz LCNICXDEZDNEFN-INIZCTEOSA-N 0 3 389.500 0.072 20 0 GCADHN C[C@H](CNC(=O)NCCc1nnnn1-c1ccccc1)CN1CCN(C)CC1 ZINC000511524986 1188067272 /nfs/dbraw/zinc/06/72/72/1188067272.db2.gz YMMWZEYIVGGUBH-MRXNPFEDSA-N 0 3 386.504 0.388 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)C1 ZINC000549266939 1188069274 /nfs/dbraw/zinc/06/92/74/1188069274.db2.gz IWLIZVBBUKVNIG-HZPDHXFCSA-N 0 3 398.529 0.763 20 0 GCADHN COCCN1CC[C@@H](NC(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)C1 ZINC000549266941 1188069424 /nfs/dbraw/zinc/06/94/24/1188069424.db2.gz IWLIZVBBUKVNIG-JKSUJKDBSA-N 0 3 398.529 0.763 20 0 GCADHN N[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1ccccc1 ZINC000415385577 1188070272 /nfs/dbraw/zinc/07/02/72/1188070272.db2.gz FHQWOZQVOTVXOB-GOSISDBHSA-N 0 3 395.463 0.373 20 0 GCADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](N)c2ccccc2)c2ccccc2O1 ZINC000415386271 1188070332 /nfs/dbraw/zinc/07/03/32/1188070332.db2.gz GCFPUXANWBIEIS-RHSMWYFYSA-N 0 3 382.420 0.343 20 0 GCADHN COCCc1ccc(OC[C@@H](O)CN[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000644582053 1188089970 /nfs/dbraw/zinc/08/99/70/1188089970.db2.gz TUTSHMIGHHMFGD-ICSRJNTNSA-N 0 3 392.496 0.985 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000460647348 1188114450 /nfs/dbraw/zinc/11/44/50/1188114450.db2.gz MVLOENBDDPVCIM-ZWKOTPCHSA-N 0 3 397.564 0.681 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000377720228 1188116598 /nfs/dbraw/zinc/11/65/98/1188116598.db2.gz CNJNZQCPNLFAGG-DLBZAZTESA-N 0 3 386.452 0.731 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000377720235 1188116711 /nfs/dbraw/zinc/11/67/11/1188116711.db2.gz CNJNZQCPNLFAGG-IRXDYDNUSA-N 0 3 386.452 0.731 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377723671 1188117405 /nfs/dbraw/zinc/11/74/05/1188117405.db2.gz HJVIEEKCZRZYMM-HUUCEWRRSA-N 0 3 375.425 0.700 20 0 GCADHN CCOC(=O)Cn1ccc2cc(NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)ccc21 ZINC000565244540 1188117825 /nfs/dbraw/zinc/11/78/25/1188117825.db2.gz DKZUYPXEPXXCQV-JKSUJKDBSA-N 0 3 399.451 0.980 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(F)(F)CN)c(C)c2)CC1 ZINC000415614068 1188125536 /nfs/dbraw/zinc/12/55/36/1188125536.db2.gz NZMMPICZAFAQHT-UHFFFAOYSA-N 0 3 383.443 0.786 20 0 GCADHN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC(F)(F)CN)c1 ZINC000415619255 1188127844 /nfs/dbraw/zinc/12/78/44/1188127844.db2.gz YIQGLIRPLMRVIN-UHFFFAOYSA-N 0 3 385.415 0.616 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377756169 1188132123 /nfs/dbraw/zinc/13/21/23/1188132123.db2.gz PGQOWKHKSDVERK-DOMZBBRYSA-N 0 3 384.502 0.806 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377756170 1188132177 /nfs/dbraw/zinc/13/21/77/1188132177.db2.gz PGQOWKHKSDVERK-IUODEOHRSA-N 0 3 384.502 0.806 20 0 GCADHN Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1C ZINC000377769209 1188132880 /nfs/dbraw/zinc/13/28/80/1188132880.db2.gz AWRUSBWLVKMLPB-JKSUJKDBSA-N 0 3 381.498 0.561 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000377775803 1188134571 /nfs/dbraw/zinc/13/45/71/1188134571.db2.gz DPBDNINGSFUYBE-UONOGXRCSA-N 0 3 388.403 0.324 20 0 GCADHN Cc1nc(-c2cccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)c2)n[nH]1 ZINC000377789576 1188138308 /nfs/dbraw/zinc/13/83/08/1188138308.db2.gz ZDZBXTFDYAYORU-HOTGVXAUSA-N 0 3 384.440 0.698 20 0 GCADHN Cn1nc(CC(C)(C)C)cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377789654 1188138349 /nfs/dbraw/zinc/13/83/49/1188138349.db2.gz ZKCJYIPEFQCIEN-GJZGRUSLSA-N 0 3 377.489 0.927 20 0 GCADHN COC(=O)CC1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000549335337 1188140275 /nfs/dbraw/zinc/14/02/75/1188140275.db2.gz PHTJUMUVYGWEMC-INIZCTEOSA-N 0 3 382.505 0.914 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000415693265 1188140868 /nfs/dbraw/zinc/14/08/68/1188140868.db2.gz HTKBNRTVMGAUSO-BXUZGUMPSA-N 0 3 377.445 0.478 20 0 GCADHN CN1C(=O)COc2ccc(NC(=O)C(=O)NC[C@@H]3NCCc4ccccc43)cc21 ZINC000415704209 1188144514 /nfs/dbraw/zinc/14/45/14/1188144514.db2.gz GKEVFTPHHMDMJP-INIZCTEOSA-N 0 3 394.431 0.984 20 0 GCADHN CC(C)(NS(C)(=O)=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000460741416 1188153526 /nfs/dbraw/zinc/15/35/26/1188153526.db2.gz FQRUQNJCASWUFM-UHFFFAOYSA-N 0 3 396.513 0.650 20 0 GCADHN CCc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001709118978 1188160180 /nfs/dbraw/zinc/16/01/80/1188160180.db2.gz SSIZGRJIBRJRGX-KRWDZBQOSA-N 0 3 391.564 0.971 20 0 GCADHN COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@H](C)CCN3CCN(C)CC3)C2)nn1 ZINC000472899075 1189364915 /nfs/dbraw/zinc/36/49/15/1189364915.db2.gz OJBYNEHDLVFQKB-HUUCEWRRSA-N 0 3 393.492 0.047 20 0 GCADHN COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)C2)nn1 ZINC000472899077 1189365681 /nfs/dbraw/zinc/36/56/81/1189365681.db2.gz OJBYNEHDLVFQKB-LSDHHAIUSA-N 0 3 393.492 0.047 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2cnn(-c3ccccn3)c2N)CC1 ZINC000549365728 1189367347 /nfs/dbraw/zinc/36/73/47/1189367347.db2.gz BBAHKPRUCVWEOS-UHFFFAOYSA-N 0 3 386.456 0.854 20 0 GCADHN Cc1cc(N2CCC[C@@H](N3CCN(c4ccncc4CO)CC3)C2=O)n(C)n1 ZINC000893114980 1189368181 /nfs/dbraw/zinc/36/81/81/1189368181.db2.gz ZBFWLFHDFQKHGQ-GOSISDBHSA-N 0 3 384.484 0.933 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(CC(=O)NCC(C)(C)N3CCOCC3)C2)CC1 ZINC000377921215 1189372755 /nfs/dbraw/zinc/37/27/55/1189372755.db2.gz XNTGRKHOQFXBOJ-LJQANCHMSA-N 0 3 395.592 0.314 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000377940161 1189379935 /nfs/dbraw/zinc/37/99/35/1189379935.db2.gz AMJACRGYXWVWSZ-GOSISDBHSA-N 0 3 394.541 0.739 20 0 GCADHN CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NC[C@H]3CNCCO3)ccc21 ZINC000415859920 1189384065 /nfs/dbraw/zinc/38/40/65/1189384065.db2.gz HBTPPKHKHOLZKO-OAHLLOKOSA-N 0 3 388.424 0.248 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000415861769 1189385344 /nfs/dbraw/zinc/38/53/44/1189385344.db2.gz JSVOOMXUGHTRND-VIFPVBQESA-N 0 3 395.309 0.933 20 0 GCADHN CCOC(=O)c1c(CC)c(C)sc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415857018 1189386768 /nfs/dbraw/zinc/38/67/68/1189386768.db2.gz BQZFUMPMOBXWAV-LLVKDONJSA-N 0 3 383.470 0.839 20 0 GCADHN COc1cc(CNC(=O)N[C@H](C)CCN2CCN(C)CC2)ccc1OCCO ZINC000472915905 1189386785 /nfs/dbraw/zinc/38/67/85/1189386785.db2.gz QCSLCYYJCBGOKR-MRXNPFEDSA-N 0 3 394.516 0.892 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415858396 1189387805 /nfs/dbraw/zinc/38/78/05/1189387805.db2.gz FCDHCSRDXQQYED-ZDUSSCGKSA-N 0 3 397.357 0.934 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000415866638 1189387996 /nfs/dbraw/zinc/38/79/96/1189387996.db2.gz OHCLTTDXHQWUBA-JTQLQIEISA-N 0 3 379.310 0.810 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NC[C@@H]2CNCCO2)C[C@H](C)O1 ZINC000415866740 1189388622 /nfs/dbraw/zinc/38/86/22/1189388622.db2.gz OPONSVJUOODQCH-UXLLHSPISA-N 0 3 390.484 0.339 20 0 GCADHN CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)NC[C@H]2CNCCO2)n1 ZINC000415867428 1189389418 /nfs/dbraw/zinc/38/94/18/1189389418.db2.gz PDIAYRVXXVTDEP-LLVKDONJSA-N 0 3 393.831 0.996 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000415869975 1189390106 /nfs/dbraw/zinc/39/01/06/1189390106.db2.gz RWDMBPMZTPTCJX-HUUCEWRRSA-N 0 3 377.441 0.678 20 0 GCADHN CCCc1c(NC(=O)C(=O)NC[C@@H]2CNCCO2)cnn1-c1cc(C)ccn1 ZINC000415863465 1189390450 /nfs/dbraw/zinc/39/04/50/1189390450.db2.gz LHXXOJQMRQDECB-AWEZNQCLSA-N 0 3 386.456 0.571 20 0 GCADHN CN(C)CCn1c2cc(NC(=O)[C@@H]3CCCS(=O)(=O)C3)ccc2oc1=O ZINC000651202930 1189395935 /nfs/dbraw/zinc/39/59/35/1189395935.db2.gz YSNDLUFMIHQPEW-GFCCVEGCSA-N 0 3 381.454 0.919 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415981689 1189412565 /nfs/dbraw/zinc/41/25/65/1189412565.db2.gz CKQZZIXWCVZVGS-NWDGAFQWSA-N 0 3 378.429 0.746 20 0 GCADHN COCCO[C@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000511536988 1189417373 /nfs/dbraw/zinc/41/73/73/1189417373.db2.gz FVWOSSVLPLHFKK-IRXDYDNUSA-N 0 3 384.521 0.766 20 0 GCADHN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)o1 ZINC000378114704 1189417650 /nfs/dbraw/zinc/41/76/50/1189417650.db2.gz UMYWBDQZLZYCBC-CQSZACIVSA-N 0 3 385.486 0.855 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000378168685 1189433036 /nfs/dbraw/zinc/43/30/36/1189433036.db2.gz MAOOLEZBRVMUAO-JKSUJKDBSA-N 0 3 388.534 0.307 20 0 GCADHN COCCN1CCC[C@H]1CNC(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000378168683 1189433167 /nfs/dbraw/zinc/43/31/67/1189433167.db2.gz MAOOLEZBRVMUAO-HOTGVXAUSA-N 0 3 388.534 0.307 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000378179495 1189435847 /nfs/dbraw/zinc/43/58/47/1189435847.db2.gz JKEZAFIOWULEMR-KRWDZBQOSA-N 0 3 387.484 0.353 20 0 GCADHN CN(CC(=O)N1CCOCC1)CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001267739473 1189436716 /nfs/dbraw/zinc/43/67/16/1189436716.db2.gz DNYHZXLDAXIISA-GJNTUIEKSA-N 0 3 391.512 0.439 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000511537829 1189438086 /nfs/dbraw/zinc/43/80/86/1189438086.db2.gz IGAZGYKTADYVRU-XHSDSOJGSA-N 0 3 379.505 0.382 20 0 GCADHN COc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659906017 1189442415 /nfs/dbraw/zinc/44/24/15/1189442415.db2.gz WNQCNSMLUYOZAM-UHFFFAOYSA-N 0 3 385.461 0.763 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378228491 1189448944 /nfs/dbraw/zinc/44/89/44/1189448944.db2.gz NEQYRAXVLSWZMA-SWLSCSKDSA-N 0 3 384.502 0.949 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000041641242 1189455205 /nfs/dbraw/zinc/45/52/05/1189455205.db2.gz BEZUFPBOEASRLW-CYBMUJFWSA-N 0 3 389.456 0.098 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000041641122 1189455313 /nfs/dbraw/zinc/45/53/13/1189455313.db2.gz PZPZORDYGKKTMW-OAHLLOKOSA-N 0 3 390.484 0.929 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000041640225 1189455409 /nfs/dbraw/zinc/45/54/09/1189455409.db2.gz YBGIOGRMYPYCAV-AWEZNQCLSA-N 0 3 376.457 0.539 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000041640762 1189455412 /nfs/dbraw/zinc/45/54/12/1189455412.db2.gz PXFVJWILMWJAFK-HNNXBMFYSA-N 0 3 385.472 0.348 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(C(=O)NC)c2)CC1 ZINC000041641233 1189455467 /nfs/dbraw/zinc/45/54/67/1189455467.db2.gz FYDDJJXELOZBLC-CQSZACIVSA-N 0 3 375.473 0.127 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)N1CCCC[C@H]1C ZINC000041644609 1189457020 /nfs/dbraw/zinc/45/70/20/1189457020.db2.gz IRUFDDAEMRUZTE-KGLIPLIRSA-N 0 3 376.457 0.868 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(NC(C)=O)ccc2F)CC1 ZINC000041718683 1189457223 /nfs/dbraw/zinc/45/72/23/1189457223.db2.gz GUXNVPUKRCDURA-UHFFFAOYSA-N 0 3 379.436 0.476 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000041719535 1189457367 /nfs/dbraw/zinc/45/73/67/1189457367.db2.gz GXYNRUFPDYEENB-UHFFFAOYSA-N 0 3 387.484 0.271 20 0 GCADHN Cn1c(=O)ccn(CC(=O)O[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)c1=O ZINC000181296421 1189462597 /nfs/dbraw/zinc/46/25/97/1189462597.db2.gz BPDIERMVDNNDBT-SFHVURJKSA-N 0 3 383.448 0.853 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3nncn3C)c(C)c2)CC1 ZINC000041888834 1189466886 /nfs/dbraw/zinc/46/68/86/1189466886.db2.gz FJKWKCQICRYQOK-UHFFFAOYSA-N 0 3 385.472 0.520 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC12CCCCC2 ZINC000378343343 1189483978 /nfs/dbraw/zinc/48/39/78/1189483978.db2.gz SAQIVPVEOMPKJU-QGZVFWFLSA-N 0 3 378.517 0.790 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)CC1 ZINC000893238687 1189508095 /nfs/dbraw/zinc/50/80/95/1189508095.db2.gz ONPWUVGPFHLKSJ-AWEZNQCLSA-N 0 3 392.504 0.579 20 0 GCADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000416392578 1189508538 /nfs/dbraw/zinc/50/85/38/1189508538.db2.gz SYECCOSAKFCPIA-UHFFFAOYSA-N 0 3 396.469 0.708 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)CC1 ZINC000893238691 1189509006 /nfs/dbraw/zinc/50/90/06/1189509006.db2.gz ONPWUVGPFHLKSJ-CQSZACIVSA-N 0 3 392.504 0.579 20 0 GCADHN Cc1csc2ncc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c(=O)n12 ZINC000378461215 1189511686 /nfs/dbraw/zinc/51/16/86/1189511686.db2.gz VZMLJQWJZVUUGO-AWEZNQCLSA-N 0 3 389.481 0.443 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000416434103 1189516811 /nfs/dbraw/zinc/51/68/11/1189516811.db2.gz SLUFPDZWKXGUIS-CQSZACIVSA-N 0 3 394.453 0.461 20 0 GCADHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1 ZINC000416463686 1189523980 /nfs/dbraw/zinc/52/39/80/1189523980.db2.gz VRCUQFSCDBEKED-LLVKDONJSA-N 0 3 387.433 0.631 20 0 GCADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1 ZINC000416469745 1189524226 /nfs/dbraw/zinc/52/42/26/1189524226.db2.gz DYQPYMKHADSWBH-NSHDSACASA-N 0 3 386.449 0.565 20 0 GCADHN CN1CC[C@@H](CNS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000416493593 1189532748 /nfs/dbraw/zinc/53/27/48/1189532748.db2.gz FMXJVWUVRRQXFL-AWEZNQCLSA-N 0 3 395.481 0.170 20 0 GCADHN Cc1noc(C2(C)CCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)n1 ZINC000378582121 1189540922 /nfs/dbraw/zinc/54/09/22/1189540922.db2.gz WIDVIDGAUOZLCP-UHFFFAOYSA-N 0 3 387.444 0.179 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000274414696 1189545941 /nfs/dbraw/zinc/54/59/41/1189545941.db2.gz HFSXDCGVUVKVBW-UHFFFAOYSA-N 0 3 390.444 0.172 20 0 GCADHN COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000378602893 1189546235 /nfs/dbraw/zinc/54/62/35/1189546235.db2.gz YBVRRKDQQXZUAB-JKSUJKDBSA-N 0 3 396.484 0.975 20 0 GCADHN COC(=O)[C@@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@H](C(=O)OC)C1 ZINC000378602890 1189546348 /nfs/dbraw/zinc/54/63/48/1189546348.db2.gz YBVRRKDQQXZUAB-CVEARBPZSA-N 0 3 396.484 0.975 20 0 GCADHN COCC[C@H](C)CCS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000416580483 1189557253 /nfs/dbraw/zinc/55/72/53/1189557253.db2.gz JCZLXMJZZUTLTN-KRWDZBQOSA-N 0 3 391.578 0.765 20 0 GCADHN CN(CCNCC(=O)N(C)CC(F)(F)F)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001481261644 1189570834 /nfs/dbraw/zinc/57/08/34/1189570834.db2.gz PERKHVIDQQLSAV-SGMGOOAPSA-N 0 3 381.395 0.107 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)CCN2C1=O ZINC000582073689 1189571641 /nfs/dbraw/zinc/57/16/41/1189571641.db2.gz MSOHTIZQHMQJHC-RRFJBIMHSA-N 0 3 376.844 0.463 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)CCN2C1=O ZINC000582073688 1189571975 /nfs/dbraw/zinc/57/19/75/1189571975.db2.gz MSOHTIZQHMQJHC-RBSFLKMASA-N 0 3 376.844 0.463 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)CNC(=O)COc3ccccc3)C2)CC1 ZINC000363916861 1189573830 /nfs/dbraw/zinc/57/38/30/1189573830.db2.gz CILZBPHIGWLXBQ-SFHVURJKSA-N 0 3 388.512 0.809 20 0 GCADHN CCOC(=O)c1cc(S(=O)(=O)NCCCCN2CCN(C)CC2)cn1C ZINC000545467258 1189575425 /nfs/dbraw/zinc/57/54/25/1189575425.db2.gz OMGBLKOGDOARKR-UHFFFAOYSA-N 0 3 386.518 0.508 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCN2CCN(CCc3c[nH]nn3)CC2)cc1 ZINC000660078825 1189577730 /nfs/dbraw/zinc/57/77/30/1189577730.db2.gz UMSWSWMZOIYDGH-UHFFFAOYSA-N 0 3 378.502 0.252 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC000363933737 1189578995 /nfs/dbraw/zinc/57/89/95/1189578995.db2.gz IQWODJUJUWSGKU-INIZCTEOSA-N 0 3 380.514 0.575 20 0 GCADHN C[C@@H]1OCC[C@@]12CN(CCC(=O)N1CCN(c3ncccn3)CC1)C[C@@H](C)O2 ZINC000363941416 1189581305 /nfs/dbraw/zinc/58/13/05/1189581305.db2.gz WUAWZZYWWYHFLO-FUHIMQAGSA-N 0 3 389.500 0.784 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000363951922 1189586503 /nfs/dbraw/zinc/58/65/03/1189586503.db2.gz VAIXVNIXVMHMJP-YJBOKZPZSA-N 0 3 377.533 0.665 20 0 GCADHN CCN1CCN(C(=O)CC2CCN(CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000108873393 1189591432 /nfs/dbraw/zinc/59/14/32/1189591432.db2.gz TYFBUDFJNNQFRH-QZTJIDSGSA-N 0 3 394.560 0.888 20 0 GCADHN CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000660121400 1189596492 /nfs/dbraw/zinc/59/64/92/1189596492.db2.gz VPUGCVHTWGHWAM-IRXDYDNUSA-N 0 3 378.517 0.790 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C[C@H](C)O1 ZINC000416949719 1189600031 /nfs/dbraw/zinc/60/00/31/1189600031.db2.gz QQMZPXQFLNZXKF-KSZLIROESA-N 0 3 395.548 0.339 20 0 GCADHN C[C@H](NC(=O)NC[C@H]1CNCCO1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000417029555 1189608897 /nfs/dbraw/zinc/60/88/97/1189608897.db2.gz NPWQZIUOPSNZHH-SUMWQHHRSA-N 0 3 376.457 0.693 20 0 GCADHN O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCc2nnnn2CC1 ZINC000651418529 1189610013 /nfs/dbraw/zinc/61/00/13/1189610013.db2.gz SJBABIXLDDWNAC-HNNXBMFYSA-N 0 3 384.484 0.899 20 0 GCADHN COC(=O)c1cn([C@@H]2CCCN(C(=O)N[C@H]3CN(C4CC4)C[C@H]3C)C2)nn1 ZINC000364015295 1189614662 /nfs/dbraw/zinc/61/46/62/1189614662.db2.gz POPGNQGNBQMOMA-YUELXQCFSA-N 0 3 376.461 0.894 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)CCN2C1=O ZINC000584666133 1189616610 /nfs/dbraw/zinc/61/66/10/1189616610.db2.gz LGPVICZRPKONMK-SJORKVTESA-N 0 3 385.468 0.245 20 0 GCADHN CC[C@H](C(=O)OC)N1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000511605226 1189619814 /nfs/dbraw/zinc/61/98/14/1189619814.db2.gz IXTFRZZUEAXCOZ-MOPGFXCFSA-N 0 3 390.528 0.975 20 0 GCADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000584673210 1189623619 /nfs/dbraw/zinc/62/36/19/1189623619.db2.gz OGRJLPKDMNGFCC-KRWDZBQOSA-N 0 3 382.549 0.936 20 0 GCADHN CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000643140203 1189627730 /nfs/dbraw/zinc/62/77/30/1189627730.db2.gz LINJUTCMXOGUEE-HNNXBMFYSA-N 0 3 377.489 0.860 20 0 GCADHN CC[N@H+]1CCC[C@H]1CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000643140203 1189627732 /nfs/dbraw/zinc/62/77/32/1189627732.db2.gz LINJUTCMXOGUEE-HNNXBMFYSA-N 0 3 377.489 0.860 20 0 GCADHN CCN1C(=O)[C@H]2CN(C[C@H](O)Cn3cnc4cc(C)c(C)cc43)CCN2C1=O ZINC000364043265 1189627751 /nfs/dbraw/zinc/62/77/51/1189627751.db2.gz TZBFFVZCOPWHAV-MAUKXSAKSA-N 0 3 385.468 0.982 20 0 GCADHN O=C(COc1ccc(CCNC(=O)NC[C@@H]2CNCCO2)cc1)NC1CC1 ZINC000417185040 1189629283 /nfs/dbraw/zinc/62/92/83/1189629283.db2.gz RSVKSSMIIITPOX-KRWDZBQOSA-N 0 3 376.457 0.174 20 0 GCADHN CO[C@@H](CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000296116412 1189635488 /nfs/dbraw/zinc/63/54/88/1189635488.db2.gz FGZNVSOHNYFNKH-MSOLQXFVSA-N 0 3 395.525 0.942 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000660176942 1189635795 /nfs/dbraw/zinc/63/57/95/1189635795.db2.gz MNWUDZMRVRQKIK-IRXDYDNUSA-N 0 3 379.457 0.576 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000417273716 1189637417 /nfs/dbraw/zinc/63/74/17/1189637417.db2.gz XVNSGVPFWWTKSA-HNNXBMFYSA-N 0 3 384.502 0.503 20 0 GCADHN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Cl ZINC000584732678 1189642108 /nfs/dbraw/zinc/64/21/08/1189642108.db2.gz RHZIQDMLRIHGJJ-DGCLKSJQSA-N 0 3 393.831 0.007 20 0 GCADHN CCCCOc1cccc(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000584730958 1189642843 /nfs/dbraw/zinc/64/28/43/1189642843.db2.gz CKOYSKKKADUCPP-DOTOQJQBSA-N 0 3 388.468 0.252 20 0 GCADHN Cn1nccc1-c1ccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)nn1 ZINC000417326287 1189647886 /nfs/dbraw/zinc/64/78/86/1189647886.db2.gz RPTJSEBJUUZRGQ-UHFFFAOYSA-N 0 3 386.504 1.415 20 0 GCADHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000668902570 1189650232 /nfs/dbraw/zinc/65/02/32/1189650232.db2.gz GIIQAUJXRJWRMG-QWHCGFSZSA-N 0 3 392.422 0.502 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)CCC2 ZINC000584747243 1189650800 /nfs/dbraw/zinc/65/08/00/1189650800.db2.gz RNODLOQVFSYOIL-IAGOWNOFSA-N 0 3 389.500 0.720 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C[C@@H](C)O1 ZINC000364092713 1189653555 /nfs/dbraw/zinc/65/35/55/1189653555.db2.gz ZTHOCFFBGOWMRK-LPMFXHHGSA-N 0 3 380.489 0.713 20 0 GCADHN CC(C)(C)NC(=O)CNCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCC1 ZINC001267840720 1189655568 /nfs/dbraw/zinc/65/55/68/1189655568.db2.gz YJJMLKCPKJUTEQ-YQQAZPJKSA-N 0 3 381.517 0.971 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CN1Cc1ccccc1 ZINC000584785552 1189665527 /nfs/dbraw/zinc/66/55/27/1189665527.db2.gz UDJAGDFSZOFXSB-OIISXLGYSA-N 0 3 380.514 0.983 20 0 GCADHN O=C(C(=O)N1CCN(C[C@@H]2CCOC2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000582108068 1189676874 /nfs/dbraw/zinc/67/68/74/1189676874.db2.gz JORPBOHXXZFQBI-ROUUACIJSA-N 0 3 378.517 0.254 20 0 GCADHN Cc1nc2ccc(NC(=O)C(=O)N(CCN(C)C)Cc3ccccn3)cn2n1 ZINC000584809603 1189677083 /nfs/dbraw/zinc/67/70/83/1189677083.db2.gz IFXYXPWONINTLC-UHFFFAOYSA-N 0 3 381.440 0.962 20 0 GCADHN O=C(C(=O)N1CCN(C[C@@H]2CCOC2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000582108069 1189677132 /nfs/dbraw/zinc/67/71/32/1189677132.db2.gz JORPBOHXXZFQBI-ZWKOTPCHSA-N 0 3 378.517 0.254 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)NCCN3C(=O)CNC3=O)CC2)C[C@@H](C)O1 ZINC000364164208 1189686500 /nfs/dbraw/zinc/68/65/00/1189686500.db2.gz BQHAOQBAEHHUKF-HUUCEWRRSA-N 0 3 395.504 0.459 20 0 GCADHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O ZINC000584849634 1189691858 /nfs/dbraw/zinc/69/18/58/1189691858.db2.gz IOOMKMMSFCEBDQ-CJNGLKHVSA-N 0 3 389.374 0.935 20 0 GCADHN CCN(CCO)CCNC(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000274467615 1189702684 /nfs/dbraw/zinc/70/26/84/1189702684.db2.gz YLBGKXHHIMNZKP-UHFFFAOYSA-N 0 3 394.472 0.360 20 0 GCADHN COC(=O)Cn1cc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)nn1 ZINC000500110666 1189717500 /nfs/dbraw/zinc/71/75/00/1189717500.db2.gz OZENVFOABJIUJK-RHSMWYFYSA-N 0 3 386.456 0.913 20 0 GCADHN O=C(CN1CC[C@@H]2OCCN[C@H]2C1)NCC1(N2CCOCC2)CCCCC1 ZINC000579015767 1189718443 /nfs/dbraw/zinc/71/84/43/1189718443.db2.gz AKMSRSCAJVOXPY-ROUUACIJSA-N 0 3 380.533 0.200 20 0 GCADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000500132917 1189721480 /nfs/dbraw/zinc/72/14/80/1189721480.db2.gz PFLJPZNGBTXVTE-FZKQIMNGSA-N 0 3 375.469 0.857 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CCCN3CCCC[C@H]23)[C@H]1c1cnn(C)c1 ZINC000616717420 1189723110 /nfs/dbraw/zinc/72/31/10/1189723110.db2.gz MMYPMGXFIKPADZ-RWQQGDIJSA-N 0 3 389.500 0.842 20 0 GCADHN C[C@]1(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCC[NH2+]C1 ZINC000418167281 1189730080 /nfs/dbraw/zinc/73/00/80/1189730080.db2.gz KBPUCDIJBOSZOK-INIZCTEOSA-N 0 3 390.456 0.932 20 0 GCADHN CC(=O)N[C@@]1(c2nc(C)cs2)CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000617597546 1189741295 /nfs/dbraw/zinc/74/12/95/1189741295.db2.gz INORNVOYKSZOJZ-QAPCUYQASA-N 0 3 377.514 0.405 20 0 GCADHN COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000500248712 1189746062 /nfs/dbraw/zinc/74/60/62/1189746062.db2.gz RDELGSLSKJYEQQ-GJZGRUSLSA-N 0 3 392.504 0.769 20 0 GCADHN COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)NC[C@H]2CCCN2C)C1 ZINC000500248716 1189746349 /nfs/dbraw/zinc/74/63/49/1189746349.db2.gz RDELGSLSKJYEQQ-LSDHHAIUSA-N 0 3 392.504 0.769 20 0 GCADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)NCCCn3ccnn3)CC2)C[C@H](C)O1 ZINC000500262933 1189751032 /nfs/dbraw/zinc/75/10/32/1189751032.db2.gz IEDBZWMQMPAGQU-HOTGVXAUSA-N 0 3 392.504 0.132 20 0 GCADHN COCCCCNCc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 ZINC001105285832 1189764840 /nfs/dbraw/zinc/76/48/40/1189764840.db2.gz WTZRKQRLWVHLIB-JCGIZDLHSA-N 0 3 377.489 0.993 20 0 GCADHN CCCCCNCc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001105290460 1189768449 /nfs/dbraw/zinc/76/84/49/1189768449.db2.gz RLXDFMGHBPFPHC-JCGIZDLHSA-N 0 3 377.489 0.993 20 0 GCADHN CN(C[C@@H]1COCCO1)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000660386383 1189773905 /nfs/dbraw/zinc/77/39/05/1189773905.db2.gz ZHKQRVABEFIKRK-LJQANCHMSA-N 0 3 376.501 0.991 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)ccc1C ZINC000429799752 1189775946 /nfs/dbraw/zinc/77/59/46/1189775946.db2.gz GMLSLYIBIYEQLG-UHFFFAOYSA-N 0 3 398.529 0.888 20 0 GCADHN C[C@H](C(=O)NCC(=O)NCCN1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000909325591 1189787109 /nfs/dbraw/zinc/78/71/09/1189787109.db2.gz RIAPZTSPMYEMRF-HNNXBMFYSA-N 0 3 395.525 0.912 20 0 GCADHN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909327754 1189795568 /nfs/dbraw/zinc/79/55/68/1189795568.db2.gz CRXAVYCCOOBGGN-IBGZPJMESA-N 0 3 386.496 0.678 20 0 GCADHN Cn1cc(-c2nc(C(=O)NCC(=O)NCCN3CCCCC3)cs2)cn1 ZINC000909327594 1189795978 /nfs/dbraw/zinc/79/59/78/1189795978.db2.gz VJHDLOZGUFNVLP-UHFFFAOYSA-N 0 3 376.486 0.876 20 0 GCADHN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCC(=O)NCCN1CCCCC1 ZINC000909327997 1189796459 /nfs/dbraw/zinc/79/64/59/1189796459.db2.gz HVPGQPWUGGUJHO-IYBDPMFKSA-N 0 3 392.500 0.270 20 0 GCADHN CCn1c2ccccc2n(CC(=O)NCC(=O)NCCN2CCCCC2)c1=O ZINC000909327907 1189796701 /nfs/dbraw/zinc/79/67/01/1189796701.db2.gz OPTABVVCGCKNLU-UHFFFAOYSA-N 0 3 387.484 0.541 20 0 GCADHN Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(=O)NCCN1CCCCC1 ZINC000909327998 1189797146 /nfs/dbraw/zinc/79/71/46/1189797146.db2.gz SGBKMRSSQKSVBF-UHFFFAOYSA-N 0 3 381.498 0.730 20 0 GCADHN C[C@H]1Oc2ccccc2N(CC(=O)NCC(=O)NCCN2CCCCC2)C1=O ZINC000909328589 1189797594 /nfs/dbraw/zinc/79/75/94/1189797594.db2.gz ZABDGCYOIGAMKJ-OAHLLOKOSA-N 0 3 388.468 0.519 20 0 GCADHN O=C(CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)NCCN1CCCCC1 ZINC000909328304 1189798128 /nfs/dbraw/zinc/79/81/28/1189798128.db2.gz IMCTXMCSUNCMQY-NWDGAFQWSA-N 0 3 378.395 0.162 20 0 GCADHN COc1ccccc1OCCN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000053709035 1189803604 /nfs/dbraw/zinc/80/36/04/1189803604.db2.gz BRAPHTHOZJULAK-UHFFFAOYSA-N 0 3 387.440 0.453 20 0 GCADHN CCC[C@@H](C)C(=O)NCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000458809407 1189808102 /nfs/dbraw/zinc/80/81/02/1189808102.db2.gz AITOKTXCYZNPJC-CVEARBPZSA-N 0 3 381.521 0.487 20 0 GCADHN COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H](NC(C)=O)C(N)=O)cc1 ZINC000500405288 1189816673 /nfs/dbraw/zinc/81/66/73/1189816673.db2.gz GEWPSCGUPAFBDS-IRXDYDNUSA-N 0 3 376.457 0.328 20 0 GCADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CC(n2cc(CNCC[C@H]3CCOC3)nn2)C1 ZINC001105331635 1189823469 /nfs/dbraw/zinc/82/34/69/1189823469.db2.gz JGSWESGBDZUABL-LIRZEXBASA-N 0 3 375.473 0.745 20 0 GCADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)C1 ZINC000660470750 1189843722 /nfs/dbraw/zinc/84/37/22/1189843722.db2.gz ZCCFAFWHMZXRHZ-ZWKOTPCHSA-N 0 3 386.496 0.833 20 0 GCADHN C[C@@H](NC(=O)CN1CCC[C@@H](N2CCOCC2)CC1)C(=O)N1CCCCC1 ZINC000660471802 1189845720 /nfs/dbraw/zinc/84/57/20/1189845720.db2.gz DWNFHNNBEPOXEK-QZTJIDSGSA-N 0 3 380.533 0.690 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc2c1oc(=O)n2C ZINC000511750992 1189850416 /nfs/dbraw/zinc/85/04/16/1189850416.db2.gz FLRBSMWKRVIQEB-CYBMUJFWSA-N 0 3 390.440 0.639 20 0 GCADHN Cc1nnnn1-c1ccc(C(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000651541700 1189856393 /nfs/dbraw/zinc/85/63/93/1189856393.db2.gz CSZWUQNRJQDSNF-UHFFFAOYSA-N 0 3 387.488 0.091 20 0 GCADHN C[C@H](CNC(=O)NCCN1CC[C@H](O)C1)N1CCN(c2ccccc2)CC1 ZINC000636567037 1189863782 /nfs/dbraw/zinc/86/37/82/1189863782.db2.gz UIPBCYRWPLVSAN-MJGOQNOKSA-N 0 3 375.517 0.563 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2CCc3nc(C4CC4)ncc3C2)CC1 ZINC000636601769 1189883768 /nfs/dbraw/zinc/88/37/68/1189883768.db2.gz RVUJBBIYJBUNIZ-UHFFFAOYSA-N 0 3 387.484 0.466 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](n1cncn1)C(F)(F)F ZINC000636610410 1189887067 /nfs/dbraw/zinc/88/70/67/1189887067.db2.gz RCJZFOQCJUQGIT-AGIUHOORSA-N 0 3 390.410 0.734 20 0 GCADHN CC1CCN(CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@H]32)CC1 ZINC000974906212 1189907603 /nfs/dbraw/zinc/90/76/03/1189907603.db2.gz KIFJSIQUYABAJJ-NCXUSEDFSA-N 0 3 392.544 0.497 20 0 GCADHN C[C@H]1CN(Cc2cccc(CNC(=O)NCCN3CC[C@H](O)C3)c2)CCO1 ZINC000636646123 1189921054 /nfs/dbraw/zinc/92/10/54/1189921054.db2.gz QWGPTYXXQWLQSB-LPHOPBHVSA-N 0 3 376.501 0.773 20 0 GCADHN CN(CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1)C1CCC1 ZINC000975208810 1189926626 /nfs/dbraw/zinc/92/66/26/1189926626.db2.gz ZGSSRTDYYUGRDC-JYYAWHABSA-N 0 3 376.501 0.432 20 0 GCADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000975218831 1189928545 /nfs/dbraw/zinc/92/85/45/1189928545.db2.gz RFOXZTYTFKUQFP-MXASKKJJSA-N 0 3 376.501 0.254 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCCCN1CCN(C)CC1 ZINC000120619430 1189941238 /nfs/dbraw/zinc/94/12/38/1189941238.db2.gz BSSDALUWAWVINR-INIZCTEOSA-N 0 3 382.530 0.497 20 0 GCADHN C[C@@H]1CN(CCN(C)CCOc2ccc(S(N)(=O)=O)cc2F)C[C@H](C)O1 ZINC000660753127 1189946695 /nfs/dbraw/zinc/94/66/95/1189946695.db2.gz GJLDLHYSBJUYSE-OKILXGFUSA-N 0 3 389.493 0.893 20 0 GCADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000049279901 1189954372 /nfs/dbraw/zinc/95/43/72/1189954372.db2.gz NOGQHDZCVQEUQE-UHFFFAOYSA-N 0 3 384.383 0.700 20 0 GCADHN C[C@H](c1nccs1)N1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000660869605 1189961500 /nfs/dbraw/zinc/96/15/00/1189961500.db2.gz NNFNGWULDRXYAX-QLFBSQMISA-N 0 3 377.514 0.511 20 0 GCADHN CC(C)(C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1)N1CCCCC1 ZINC000975728316 1189967867 /nfs/dbraw/zinc/96/78/67/1189967867.db2.gz IGICGJXEWIAJLT-YVSFHVDLSA-N 0 3 390.528 0.822 20 0 GCADHN Cn1ccc(N2CCC[C@@H](NC(=O)NC3CCN([C@H]4CCOC4)CC3)C2=O)n1 ZINC000661010330 1189980972 /nfs/dbraw/zinc/98/09/72/1189980972.db2.gz ULZNRNNURRXZLT-JKSUJKDBSA-N 0 3 390.488 0.468 20 0 GCADHN C[C@@H]1CN(CCC2CCN(C(=O)C(=O)N3CCN(C)C(=O)C3)CC2)C[C@@H](C)O1 ZINC000661065837 1189986272 /nfs/dbraw/zinc/98/62/72/1189986272.db2.gz HLUWLHUULZDJEV-HZPDHXFCSA-N 0 3 394.516 0.025 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC(OC[C@H]4CCCCO4)CC3)C[C@@H]21 ZINC000661066165 1189986295 /nfs/dbraw/zinc/98/62/95/1189986295.db2.gz ZAHNZTAEFGCEKB-NXHRZFHOSA-N 0 3 379.501 0.726 20 0 GCADHN CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000647706021 1189992305 /nfs/dbraw/zinc/99/23/05/1189992305.db2.gz ALMHPTJJKHMKOV-CVEARBPZSA-N 0 3 381.498 0.654 20 0 GCADHN CN1CCN(CCNC(=O)NCCN2C[C@@H]3CCCCN3C2=O)CC1(C)C ZINC000661130456 1189995149 /nfs/dbraw/zinc/99/51/49/1189995149.db2.gz NJGHDVHDMKZONH-INIZCTEOSA-N 0 3 380.537 0.602 20 0 GCADHN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000893428150 1189999175 /nfs/dbraw/zinc/99/91/75/1189999175.db2.gz BCRGHAKAQSZWSQ-MRXNPFEDSA-N 0 3 378.517 0.966 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000662744964 1190015953 /nfs/dbraw/zinc/01/59/53/1190015953.db2.gz BWGHAIHTSPDWNW-COLVAYQJSA-N 0 3 386.449 0.210 20 0 GCADHN CCOc1ccccc1N1C[C@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662754412 1190017909 /nfs/dbraw/zinc/01/79/09/1190017909.db2.gz MOOVMRBXOGRZQX-GFCCVEGCSA-N 0 3 385.424 0.709 20 0 GCADHN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662751720 1190018046 /nfs/dbraw/zinc/01/80/46/1190018046.db2.gz CYQIATRVJCXIQX-INIZCTEOSA-N 0 3 375.404 0.851 20 0 GCADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)n1 ZINC000662753385 1190019061 /nfs/dbraw/zinc/01/90/61/1190019061.db2.gz QEVFNGSYPQNYNE-LLVKDONJSA-N 0 3 397.482 0.172 20 0 GCADHN CCOc1ccccc1[C@H](CC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)NC(C)=O ZINC000662751837 1190019096 /nfs/dbraw/zinc/01/90/96/1190019096.db2.gz FDUBGPFMCHVREH-HNNXBMFYSA-N 0 3 387.440 0.923 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000661237643 1190019910 /nfs/dbraw/zinc/01/99/10/1190019910.db2.gz ZSVKOIDLAFDWCV-MSOLQXFVSA-N 0 3 384.480 0.947 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000661232710 1190020505 /nfs/dbraw/zinc/02/05/05/1190020505.db2.gz JXBMVGBVZZEDTA-FGTMMUONSA-N 0 3 378.517 0.395 20 0 GCADHN COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1=O ZINC000662754464 1190020546 /nfs/dbraw/zinc/02/05/46/1190020546.db2.gz OLUPVAFPXWMJLP-LBPRGKRZSA-N 0 3 385.424 0.627 20 0 GCADHN CS(=O)(=O)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000893444332 1190024048 /nfs/dbraw/zinc/02/40/48/1190024048.db2.gz PMCCQUXPIHDTCJ-ROUUACIJSA-N 0 3 395.525 0.972 20 0 GCADHN CC(=O)N1CCc2ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc21 ZINC000115580038 1190040936 /nfs/dbraw/zinc/04/09/36/1190040936.db2.gz RBSHCOAEUPKUGK-UHFFFAOYSA-N 0 3 382.530 0.710 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)OC)C2)CC1 ZINC000594620193 1190046081 /nfs/dbraw/zinc/04/60/81/1190046081.db2.gz YOCQIEGYNOPNKG-YWZLYKJASA-N 0 3 395.500 0.405 20 0 GCADHN Cc1c(CN)c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nn1C ZINC000662837406 1190047487 /nfs/dbraw/zinc/04/74/87/1190047487.db2.gz BCJUUYJLMWZICV-GFCCVEGCSA-N 0 3 385.424 0.950 20 0 GCADHN Cc1c(CN)c(NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)nn1C ZINC000662841349 1190049041 /nfs/dbraw/zinc/04/90/41/1190049041.db2.gz JFIGWPADUHHPLP-CYBMUJFWSA-N 0 3 385.424 0.950 20 0 GCADHN C[C@@H](CO)[C@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000661442024 1190049197 /nfs/dbraw/zinc/04/91/97/1190049197.db2.gz JMZBAWKYBWOLBO-WMLDXEAASA-N 0 3 383.514 0.476 20 0 GCADHN C[C@H](CO)[C@H]1CCCCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000661442023 1190049273 /nfs/dbraw/zinc/04/92/73/1190049273.db2.gz JMZBAWKYBWOLBO-RHSMWYFYSA-N 0 3 383.514 0.476 20 0 GCADHN COc1cccc(CN(CCN(C)C)C(=O)CN(C)S(=O)(=O)N(C)C)c1 ZINC000651876790 1190051132 /nfs/dbraw/zinc/05/11/32/1190051132.db2.gz HHGZHWATPIEQOM-UHFFFAOYSA-N 0 3 386.518 0.324 20 0 GCADHN C[C@H]1CCCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@H]1CCO ZINC000661483575 1190056788 /nfs/dbraw/zinc/05/67/88/1190056788.db2.gz CGPDGXGVNLHQTL-IRXDYDNUSA-N 0 3 382.549 0.528 20 0 GCADHN C[C@H]1CCCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CCO ZINC000661492509 1190059910 /nfs/dbraw/zinc/05/99/10/1190059910.db2.gz KSQUQAHWEWUXFM-YOEHRIQHSA-N 0 3 383.514 0.476 20 0 GCADHN CN(C)CCc1ccccc1NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000613798076 1190065742 /nfs/dbraw/zinc/06/57/42/1190065742.db2.gz FMUXPDYHKGXULE-UHFFFAOYSA-N 0 3 378.454 0.598 20 0 GCADHN CSCCc1ccc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)cc1 ZINC000595245498 1190068733 /nfs/dbraw/zinc/06/87/33/1190068733.db2.gz SMSTWCHYZOTWMB-UHFFFAOYSA-N 0 3 375.454 0.801 20 0 GCADHN C[C@H]([C@H](C)NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)N1CCOCC1 ZINC000246544972 1193723411 /nfs/dbraw/zinc/72/34/11/1193723411.db2.gz XTDBVOUKVUCYNT-SQGPQFPESA-N 0 3 390.528 0.814 20 0 GCADHN Cc1ccc2nc(CNC(=O)NCCCCN3CCN(CCO)CC3)cn2c1 ZINC000512643773 1193724625 /nfs/dbraw/zinc/72/46/25/1193724625.db2.gz YIIRJHYWHDAIFD-UHFFFAOYSA-N 0 3 388.516 0.832 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)NCc1cn2ccsc2n1 ZINC000512647239 1193725419 /nfs/dbraw/zinc/72/54/19/1193725419.db2.gz HAECLYQAXFHMQE-UHFFFAOYSA-N 0 3 380.518 0.585 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC(N2CN=NC2=O)CC1 ZINC000663916017 1193726863 /nfs/dbraw/zinc/72/68/63/1193726863.db2.gz KTRIBNJOANKJKK-OAHLLOKOSA-N 0 3 393.492 0.273 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(N2CN=NC2=O)CC1 ZINC000663916016 1193727094 /nfs/dbraw/zinc/72/70/94/1193727094.db2.gz KTRIBNJOANKJKK-HNNXBMFYSA-N 0 3 393.492 0.273 20 0 GCADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN(Cc3cnn(C)c3)CC2)cc1 ZINC000433010400 1193728889 /nfs/dbraw/zinc/72/88/89/1193728889.db2.gz KIHYMZGURDWVDL-UHFFFAOYSA-N 0 3 377.514 0.988 20 0 GCADHN COCCOc1cncc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000512661519 1193729093 /nfs/dbraw/zinc/72/90/93/1193729093.db2.gz RBBBTQVVKJCYIN-UHFFFAOYSA-N 0 3 376.457 0.487 20 0 GCADHN C[C@@H](CNC(=O)C1(CC(=O)N2CCOCC2)CCCC1)CN1CCN(C)CC1 ZINC000512675230 1193731717 /nfs/dbraw/zinc/73/17/17/1193731717.db2.gz GUPDPCUWKPMAGL-SFHVURJKSA-N 0 3 394.560 0.795 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000473469462 1193737507 /nfs/dbraw/zinc/73/75/07/1193737507.db2.gz IMHFOLRXKPRCJF-AWEZNQCLSA-N 0 3 387.484 0.652 20 0 GCADHN COc1cccc(N2CC[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C2)c1 ZINC000663963491 1193740842 /nfs/dbraw/zinc/74/08/42/1193740842.db2.gz KWUOTAXUWWETGV-INIZCTEOSA-N 0 3 391.516 0.935 20 0 GCADHN O=C1CC[C@H](N2CCN(c3ccc4nnc(-c5ccccn5)n4n3)CC2)CCN1 ZINC000894110840 1193742230 /nfs/dbraw/zinc/74/22/30/1193742230.db2.gz SACYWJCCYXNLAI-HNNXBMFYSA-N 0 3 392.467 0.977 20 0 GCADHN COCCCS(=O)(=O)NCC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000433087688 1193747727 /nfs/dbraw/zinc/74/77/27/1193747727.db2.gz JQVHFFUKWDIYLA-UHFFFAOYSA-N 0 3 399.513 0.538 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(F)ccc2C(=O)OC)CC1 ZINC000512749049 1193751116 /nfs/dbraw/zinc/75/11/16/1193751116.db2.gz KISIYVFLNKSNLO-CYBMUJFWSA-N 0 3 394.447 0.693 20 0 GCADHN CCOC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000512750697 1193751361 /nfs/dbraw/zinc/75/13/61/1193751361.db2.gz SYFACUSQIAJILC-OAHLLOKOSA-N 0 3 390.484 0.944 20 0 GCADHN COC(=O)c1ccccc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000473477344 1193751812 /nfs/dbraw/zinc/75/18/12/1193751812.db2.gz GENPAMRYEFARKS-CQSZACIVSA-N 0 3 376.457 0.554 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 ZINC000411427425 1193757878 /nfs/dbraw/zinc/75/78/78/1193757878.db2.gz OTFPVWIGDRMRBB-VKJFTORMSA-N 0 3 386.452 0.935 20 0 GCADHN COC(=O)C[C@@]1(NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCOC1 ZINC000419254162 1193770372 /nfs/dbraw/zinc/77/03/72/1193770372.db2.gz XLKUHPLQTLOLTN-LIRRHRJNSA-N 0 3 378.425 0.623 20 0 GCADHN COC(=O)C[C@]1(NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCOC1 ZINC000419254160 1193770708 /nfs/dbraw/zinc/77/07/08/1193770708.db2.gz XLKUHPLQTLOLTN-IFXJQAMLSA-N 0 3 378.425 0.623 20 0 GCADHN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC(CN2CCOCC2)CC1 ZINC000051957591 1193772442 /nfs/dbraw/zinc/77/24/42/1193772442.db2.gz GIJLDVDXCYOEHI-GOSISDBHSA-N 0 3 381.517 0.975 20 0 GCADHN O=C(NCc1cccnc1Oc1cccc(F)c1)C(=O)NC[C@H]1CNCCO1 ZINC000419265778 1193775445 /nfs/dbraw/zinc/77/54/45/1193775445.db2.gz FCOAVJLYAJUCNY-MRXNPFEDSA-N 0 3 388.399 0.734 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(Cn2ccnc2)c1 ZINC000419270064 1193778232 /nfs/dbraw/zinc/77/82/32/1193778232.db2.gz COXAQKQGEDPNGA-RHSMWYFYSA-N 0 3 385.468 0.777 20 0 GCADHN COc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c(OC)c1OC ZINC000419274279 1193780736 /nfs/dbraw/zinc/78/07/36/1193780736.db2.gz ILVDTUPAXJDHEH-YPMHNXCESA-N 0 3 395.456 0.558 20 0 GCADHN CC(C)C(=O)N[C@@H]1CCCN(C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000512826478 1193781269 /nfs/dbraw/zinc/78/12/69/1193781269.db2.gz JIWCLTLPCSMZIY-GOSISDBHSA-N 0 3 397.564 0.323 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](CO)CC(F)F)c2)CC1 ZINC000429885163 1193782390 /nfs/dbraw/zinc/78/23/90/1193782390.db2.gz ZGCWRJQVMFLTNB-AWEZNQCLSA-N 0 3 384.427 0.899 20 0 GCADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)c(Cl)c1 ZINC000509810755 1193783748 /nfs/dbraw/zinc/78/37/48/1193783748.db2.gz PFBNLAIRSIIGMG-NSHDSACASA-N 0 3 384.864 0.812 20 0 GCADHN CCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000250536115 1193785130 /nfs/dbraw/zinc/78/51/30/1193785130.db2.gz OVXQULKTCYUZGM-IAGOWNOFSA-N 0 3 388.516 0.752 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000473483131 1193786249 /nfs/dbraw/zinc/78/62/49/1193786249.db2.gz SFQFSILJEIIXJR-CQSZACIVSA-N 0 3 376.505 0.855 20 0 GCADHN C[C@@H](NC(=O)C(=O)N1CCN[C@@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000419283843 1193786384 /nfs/dbraw/zinc/78/63/84/1193786384.db2.gz NQZKZLIIECIHEM-LSDHHAIUSA-N 0 3 391.491 0.575 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000664059129 1193788073 /nfs/dbraw/zinc/78/80/73/1193788073.db2.gz GLXYKTAUYFDWKO-MRXNPFEDSA-N 0 3 375.473 0.453 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCCC(=O)N(CC)CC)CC1 ZINC000509827029 1193789637 /nfs/dbraw/zinc/78/96/37/1193789637.db2.gz KNCRWHRHKNICGM-UHFFFAOYSA-N 0 3 383.537 0.831 20 0 GCADHN COc1ccc(COCCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419297654 1193793065 /nfs/dbraw/zinc/79/30/65/1193793065.db2.gz FNAXZVZFMJOYMH-CZUORRHYSA-N 0 3 379.457 0.557 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000473485297 1193793122 /nfs/dbraw/zinc/79/31/22/1193793122.db2.gz XLJHDVPRNNNOFD-INIZCTEOSA-N 0 3 384.484 0.953 20 0 GCADHN CCCCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc1OC ZINC000419299008 1193794782 /nfs/dbraw/zinc/79/47/82/1193794782.db2.gz XQBJIMKSAQHSEH-HNNXBMFYSA-N 0 3 379.457 0.595 20 0 GCADHN CN(C)C(=O)CN1CCC(NC(=O)N2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000664063315 1193799788 /nfs/dbraw/zinc/79/97/88/1193799788.db2.gz PQVVAOIOMZTKEP-GOSISDBHSA-N 0 3 395.548 0.435 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000664066876 1193803327 /nfs/dbraw/zinc/80/33/27/1193803327.db2.gz FQWQGCFEJPURJW-UHFFFAOYSA-N 0 3 395.479 0.607 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000614329300 1193805807 /nfs/dbraw/zinc/80/58/07/1193805807.db2.gz FVVMKFYRLFBUQQ-MRXNPFEDSA-N 0 3 396.513 0.866 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000419313976 1193805994 /nfs/dbraw/zinc/80/59/94/1193805994.db2.gz TZWPVMSEESOBEZ-GOEBONIOSA-N 0 3 389.500 0.917 20 0 GCADHN CCNC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000419317729 1193808489 /nfs/dbraw/zinc/80/84/89/1193808489.db2.gz NBVXTAHWBHVRQS-IRXDYDNUSA-N 0 3 389.500 0.846 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)CC1 ZINC000433354296 1193812633 /nfs/dbraw/zinc/81/26/33/1193812633.db2.gz NTKBKQPASNLKNF-UHFFFAOYSA-N 0 3 398.529 0.313 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2ccccc2Cn2cncn2)CC1 ZINC000433362771 1193815951 /nfs/dbraw/zinc/81/59/51/1193815951.db2.gz FTYHDIVTIZQHAL-UHFFFAOYSA-N 0 3 378.502 0.242 20 0 GCADHN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000247875388 1193825234 /nfs/dbraw/zinc/82/52/34/1193825234.db2.gz YLJIQUUHKFXQLX-YDZRNGNQSA-N 0 3 381.565 0.906 20 0 GCADHN CCCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001745799986 1193828850 /nfs/dbraw/zinc/82/88/50/1193828850.db2.gz PMNFXQLZROPVDQ-KRWDZBQOSA-N 0 3 390.532 0.915 20 0 GCADHN O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000429968876 1193829251 /nfs/dbraw/zinc/82/92/51/1193829251.db2.gz VAIXRSIGUFALQW-MRXNPFEDSA-N 0 3 381.860 0.768 20 0 GCADHN CC[C@@H]1CN(C)CCCN1C(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 ZINC000614343017 1193829861 /nfs/dbraw/zinc/82/98/61/1193829861.db2.gz ZKLIAJCJCNUEHE-JKSUJKDBSA-N 0 3 377.489 0.825 20 0 GCADHN CCO[C@@H]1C[C@@H](N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)[C@H]1OC ZINC000894145919 1193831540 /nfs/dbraw/zinc/83/15/40/1193831540.db2.gz PTJWPJGDOTYKFW-DTTOXWODSA-N 0 3 379.505 0.989 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CCN2C1=O ZINC000571344614 1193835252 /nfs/dbraw/zinc/83/52/52/1193835252.db2.gz HWTSNKPVSNNEDS-QXSJWSMHSA-N 0 3 377.489 0.121 20 0 GCADHN CC(C)Oc1ncccc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000473493710 1193838234 /nfs/dbraw/zinc/83/82/34/1193838234.db2.gz XTDMQBUMYXDQIO-HNNXBMFYSA-N 0 3 377.489 0.950 20 0 GCADHN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)[C@@H](C)CN1 ZINC000333192295 1193839224 /nfs/dbraw/zinc/83/92/24/1193839224.db2.gz VIVVAJGXMYVQFC-CABCVRRESA-N 0 3 395.529 0.837 20 0 GCADHN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)C(=O)NC[C@H]1CNCCO1 ZINC000419350642 1193843324 /nfs/dbraw/zinc/84/33/24/1193843324.db2.gz WSACOAGYQUBKAO-MRXNPFEDSA-N 0 3 388.399 0.734 20 0 GCADHN Cc1nc(CN2CCC(CNC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CC2)oc1C ZINC000664087081 1193846612 /nfs/dbraw/zinc/84/66/12/1193846612.db2.gz GRYBHUFEYSQUHV-IRXDYDNUSA-N 0 3 379.505 0.820 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000664100227 1193849661 /nfs/dbraw/zinc/84/96/61/1193849661.db2.gz GVDJAWZKCMPJRD-OAHLLOKOSA-N 0 3 393.463 0.592 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000664100225 1193849963 /nfs/dbraw/zinc/84/99/63/1193849963.db2.gz GVDJAWZKCMPJRD-HNNXBMFYSA-N 0 3 393.463 0.592 20 0 GCADHN CN1CCN(CCCCNC(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 ZINC000728949979 1193863798 /nfs/dbraw/zinc/86/37/98/1193863798.db2.gz XSMWZWPPJKYHAD-UHFFFAOYSA-N 0 3 396.557 0.928 20 0 GCADHN COC(=O)CNC(=O)[C@H]1CCCN1CCCN1CCN(c2ccccc2)CC1 ZINC000419361956 1193865185 /nfs/dbraw/zinc/86/51/85/1193865185.db2.gz TURWTANGHMWPIH-LJQANCHMSA-N 0 3 388.512 0.952 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000576407847 1193875061 /nfs/dbraw/zinc/87/50/61/1193875061.db2.gz OUCZDSNBBZZFGW-GBESFXJTSA-N 0 3 398.548 0.617 20 0 GCADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCn3cnnc3[C@H]2C)CC1 ZINC000571443261 1193875242 /nfs/dbraw/zinc/87/52/42/1193875242.db2.gz YVXZPESFTJOXMB-LSDHHAIUSA-N 0 3 397.483 0.918 20 0 GCADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000576407842 1193875668 /nfs/dbraw/zinc/87/56/68/1193875668.db2.gz OUCZDSNBBZZFGW-CEXWTWQISA-N 0 3 398.548 0.617 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000261758979 1193876437 /nfs/dbraw/zinc/87/64/37/1193876437.db2.gz MSRJWMOCIICGNW-LJQANCHMSA-N 0 3 393.495 0.911 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000576421509 1193876798 /nfs/dbraw/zinc/87/67/98/1193876798.db2.gz VAXBRHHUVZKOIS-RYUDHWBXSA-N 0 3 380.411 0.948 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)cc1 ZINC000419382827 1193887414 /nfs/dbraw/zinc/88/74/14/1193887414.db2.gz IMKSSCHJZSRXKJ-YQQAZPJKSA-N 0 3 395.525 0.859 20 0 GCADHN COCCN(C(=O)CN(C)[C@H](C)C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000030149073 1193893521 /nfs/dbraw/zinc/89/35/21/1193893521.db2.gz XTNRNHOVWJCDBK-CQSZACIVSA-N 0 3 397.520 0.731 20 0 GCADHN CCCCn1c(N)c(N(CCOC)C(=O)CN(C)[C@@H](C)C(C)C)c(=O)[nH]c1=O ZINC000030149040 1193894077 /nfs/dbraw/zinc/89/40/77/1193894077.db2.gz CWRXOLTUWKLHPU-AWEZNQCLSA-N 0 3 397.520 0.875 20 0 GCADHN CC1(C)[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C[C@@H]1OCc1ccccc1 ZINC000419386258 1193895189 /nfs/dbraw/zinc/89/51/89/1193895189.db2.gz PPDZROMRSLXOOZ-ZACQAIPSSA-N 0 3 375.469 0.591 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N[C@H](CN)CC(C)C)cc1 ZINC000419388095 1193898744 /nfs/dbraw/zinc/89/87/44/1193898744.db2.gz NUESHVWQDSKZOY-CABCVRRESA-N 0 3 383.514 0.763 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N[C@@H](CN)CC(C)C)cc1 ZINC000419388097 1193899323 /nfs/dbraw/zinc/89/93/23/1193899323.db2.gz NUESHVWQDSKZOY-HUUCEWRRSA-N 0 3 383.514 0.763 20 0 GCADHN COC(=O)[C@H]1CN(C)CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000894191397 1193899930 /nfs/dbraw/zinc/89/99/30/1193899930.db2.gz XZJHRQIIMQCXBY-HNNXBMFYSA-N 0 3 397.497 0.249 20 0 GCADHN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)N[C@H](CN)C2CCCC2)cc1 ZINC000419390385 1193900862 /nfs/dbraw/zinc/90/08/62/1193900862.db2.gz PXCNIKKUTBZXMQ-WMLDXEAASA-N 0 3 395.525 0.907 20 0 GCADHN CN(CCN1CCN(C(=S)NCCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000729162887 1193907192 /nfs/dbraw/zinc/90/71/92/1193907192.db2.gz XRXJFRWYEMJTDI-UHFFFAOYSA-N 0 3 398.598 0.655 20 0 GCADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=S)NC2CCN(C)CC2)c1 ZINC000729164289 1193907228 /nfs/dbraw/zinc/90/72/28/1193907228.db2.gz DKLPFWPRSOCWRZ-UHFFFAOYSA-N 0 3 399.542 0.092 20 0 GCADHN O=C(CCN1CCCC[C@@H]1C1OCCO1)N1CCN(c2ncccn2)CC1 ZINC000729294068 1193910944 /nfs/dbraw/zinc/91/09/44/1193910944.db2.gz FZSBHNALTWVEPO-MRXNPFEDSA-N 0 3 375.473 0.743 20 0 GCADHN CN(C)S(=O)(=O)NCC(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1 ZINC000614444056 1193915175 /nfs/dbraw/zinc/91/51/75/1193915175.db2.gz URSRWDGDRFWFGD-OAHLLOKOSA-N 0 3 392.566 0.102 20 0 GCADHN CN1CCN(CCNC(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)CC1(C)C ZINC000614451492 1193915425 /nfs/dbraw/zinc/91/54/25/1193915425.db2.gz WCBPJAMQLOIGRC-KRWDZBQOSA-N 0 3 381.542 0.957 20 0 GCADHN COC(=O)[C@](C)(O)CNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000614450904 1193915478 /nfs/dbraw/zinc/91/54/78/1193915478.db2.gz USIDAQIDIRBPGX-LJQANCHMSA-N 0 3 387.440 0.217 20 0 GCADHN O=C(NCCN1CCN(c2ncccn2)CC1)NC[C@@H]1CCCCN1C1CC1 ZINC000433571590 1193921170 /nfs/dbraw/zinc/92/11/70/1193921170.db2.gz PRIJTWLGBHAEDO-SFHVURJKSA-N 0 3 387.532 0.915 20 0 GCADHN N[C@@H](C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CCOCC1 ZINC000261647339 1193922420 /nfs/dbraw/zinc/92/24/20/1193922420.db2.gz DYRWVSWLAZTDRR-RTBURBONSA-N 0 3 386.496 0.690 20 0 GCADHN COc1ccc([C@@H](CNC(=O)[C@@H](N)C2CCOCC2)N2CCOCC2)cc1 ZINC000261747362 1193924933 /nfs/dbraw/zinc/92/49/33/1193924933.db2.gz KYUVESZGIZSRHT-MOPGFXCFSA-N 0 3 377.485 0.939 20 0 GCADHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@@H](N)C3CCOCC3)C2=O)c1 ZINC000261815832 1193927729 /nfs/dbraw/zinc/92/77/29/1193927729.db2.gz PBMQJKUAMGNPEV-SJORKVTESA-N 0 3 377.441 0.679 20 0 GCADHN CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nc(N(C)C)oc3c2)CCO1 ZINC000513264810 1193929080 /nfs/dbraw/zinc/92/90/80/1193929080.db2.gz AFYHCOARJDDPAS-CYBMUJFWSA-N 0 3 375.429 0.621 20 0 GCADHN N[C@@H](C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C1CCOCC1 ZINC000261928261 1193931996 /nfs/dbraw/zinc/93/19/96/1193931996.db2.gz ZPCGLFQXAZURMY-GOSISDBHSA-N 0 3 390.484 0.441 20 0 GCADHN COc1ccc(NC(=O)[C@@H](N)C2CCOCC2)cc1S(=O)(=O)NC1CC1 ZINC000262040472 1193936823 /nfs/dbraw/zinc/93/68/23/1193936823.db2.gz QDEHHEQJPFIHPP-INIZCTEOSA-N 0 3 383.470 0.828 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000262079710 1193938226 /nfs/dbraw/zinc/93/82/26/1193938226.db2.gz KNVCAKOMCNZDGC-DJJJIMSYSA-N 0 3 390.484 0.621 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 ZINC000262185943 1193941332 /nfs/dbraw/zinc/94/13/32/1193941332.db2.gz RHINVNYCHQTRBG-KRWDZBQOSA-N 0 3 375.473 0.814 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000262233571 1193942651 /nfs/dbraw/zinc/94/26/51/1193942651.db2.gz VOCIJLOWOOSDQR-XJKSGUPXSA-N 0 3 388.390 0.622 20 0 GCADHN Cn1ccnc1[C@H](NC(=O)NCCCCN1CCN(C)CC1)C(C)(C)CO ZINC000664176776 1193951424 /nfs/dbraw/zinc/95/14/24/1193951424.db2.gz WZRLYXFSZJBCJF-INIZCTEOSA-N 0 3 380.537 0.807 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000513442926 1193952167 /nfs/dbraw/zinc/95/21/67/1193952167.db2.gz DSKXOHCKLHBECG-STQMWFEESA-N 0 3 392.422 0.456 20 0 GCADHN COC(=O)c1cn([C@H]2CCN(S(=O)(=O)c3ccc(CN(C)C)cc3)C2)nn1 ZINC000433883805 1193956951 /nfs/dbraw/zinc/95/69/51/1193956951.db2.gz RDCRTNDXOUBQOP-AWEZNQCLSA-N 0 3 393.469 0.762 20 0 GCADHN CCc1n[nH]c(=O)c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1CC ZINC000135349903 1193957260 /nfs/dbraw/zinc/95/72/60/1193957260.db2.gz MJAVDKKGXSQZHM-UHFFFAOYSA-N 0 3 375.473 0.275 20 0 GCADHN O=C(NCCNS(=O)(=O)Cc1ccon1)NC[C@H]1CCCCN1C1CC1 ZINC000433906290 1193958988 /nfs/dbraw/zinc/95/89/88/1193958988.db2.gz ZNEPKYVNELWLFB-OAHLLOKOSA-N 0 3 385.490 0.410 20 0 GCADHN O=C(CN1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1)N1CCCC1 ZINC000433944334 1193962124 /nfs/dbraw/zinc/96/21/24/1193962124.db2.gz YOCPJVZPWVNHIA-GOSISDBHSA-N 0 3 377.533 0.953 20 0 GCADHN NC(=O)c1cccc(OCCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000433958705 1193963376 /nfs/dbraw/zinc/96/33/76/1193963376.db2.gz IJUGYWNVGUPPQI-UHFFFAOYSA-N 0 3 388.468 0.321 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2ccc3ccccc3c2=O)CC1 ZINC000280009313 1193972310 /nfs/dbraw/zinc/97/23/10/1193972310.db2.gz VZNXTMISBQHKEV-SFHVURJKSA-N 0 3 382.464 0.767 20 0 GCADHN C[C@@H](CNC(=O)N[C@H](c1nccn1C)C(C)(C)CO)CN1CCN(C)CC1 ZINC000664220970 1193972413 /nfs/dbraw/zinc/97/24/13/1193972413.db2.gz ONJFGMUUYLREJQ-JKSUJKDBSA-N 0 3 380.537 0.662 20 0 GCADHN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC[C@](C)(O)CC1 ZINC000280178677 1193979207 /nfs/dbraw/zinc/97/92/07/1193979207.db2.gz SUGDGHBFQFZZOB-KDOFPFPSSA-N 0 3 383.514 0.618 20 0 GCADHN O=C(CN1CCOCC1=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000280208031 1193979639 /nfs/dbraw/zinc/97/96/39/1193979639.db2.gz PYMPZPGMZUGDBE-UHFFFAOYSA-N 0 3 388.512 0.559 20 0 GCADHN Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1N1C(=O)CNC1=O ZINC000280348263 1193987416 /nfs/dbraw/zinc/98/74/16/1193987416.db2.gz WXKUMHXYJQNVAT-ZDUSSCGKSA-N 0 3 387.440 0.400 20 0 GCADHN Cn1cc(CN[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c(=O)n(C)c1=O ZINC000280411880 1193993228 /nfs/dbraw/zinc/99/32/28/1193993228.db2.gz YOXQPJKXXADVIH-FQEVSTJZSA-N 0 3 386.452 0.975 20 0 GCADHN COC[C@H]1CCCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000264941350 1194007724 /nfs/dbraw/zinc/00/77/24/1194007724.db2.gz SZKVVYQTUCYARF-ZBFHGGJFSA-N 0 3 383.514 0.740 20 0 GCADHN CN(CC(=O)N1CC[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1)C1CCC1 ZINC000982898428 1194014514 /nfs/dbraw/zinc/01/45/14/1194014514.db2.gz SNVKJQQJVDPMHG-WXSAJPJJSA-N 0 3 379.501 0.487 20 0 GCADHN COCCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)CC1 ZINC000280740622 1194017193 /nfs/dbraw/zinc/01/71/93/1194017193.db2.gz FDEPXDOHVDVKAR-UHFFFAOYSA-N 0 3 385.490 0.564 20 0 GCADHN CCc1ccc(-c2noc([C@@H](C)NC(=O)C(=O)NC[C@@H]3CNCCO3)n2)cc1 ZINC000419408785 1194021668 /nfs/dbraw/zinc/02/16/68/1194021668.db2.gz DCVBAVNYEDJBOK-DOMZBBRYSA-N 0 3 387.440 0.581 20 0 GCADHN CCc1ccc(-c2noc([C@H](C)NC(=O)C(=O)NC[C@@H]3CNCCO3)n2)cc1 ZINC000419408788 1194021786 /nfs/dbraw/zinc/02/17/86/1194021786.db2.gz DCVBAVNYEDJBOK-WFASDCNBSA-N 0 3 387.440 0.581 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000419406813 1194022118 /nfs/dbraw/zinc/02/21/18/1194022118.db2.gz JIDFFAXYQRAZFQ-VBNZEHGJSA-N 0 3 380.464 0.774 20 0 GCADHN C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1cccc(OCc2ccccn2)c1 ZINC000419422392 1194024425 /nfs/dbraw/zinc/02/44/25/1194024425.db2.gz HCWTWDASXKYLEH-HNAYVOBHSA-N 0 3 398.463 0.942 20 0 GCADHN CCCNC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c1 ZINC000419426924 1194027705 /nfs/dbraw/zinc/02/77/05/1194027705.db2.gz GLXCUVZZUMBACI-BBRMVZONSA-N 0 3 390.484 0.672 20 0 GCADHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000419443868 1194035706 /nfs/dbraw/zinc/03/57/06/1194035706.db2.gz XIKSHEKSKRKZAP-KBPBESRZSA-N 0 3 396.875 0.148 20 0 GCADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000419445554 1194035988 /nfs/dbraw/zinc/03/59/88/1194035988.db2.gz UVHPFGWOSFSHLC-RHSMWYFYSA-N 0 3 385.468 0.760 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C)o2)C1=O ZINC000501042569 1194039044 /nfs/dbraw/zinc/03/90/44/1194039044.db2.gz XXWRERWBNCWVMY-INIZCTEOSA-N 0 3 394.472 0.825 20 0 GCADHN COC(=O)CCN1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccccc2)C1=O ZINC000501048388 1194040617 /nfs/dbraw/zinc/04/06/17/1194040617.db2.gz VBBFCUGUGJFEGF-QGZVFWFLSA-N 0 3 390.484 0.924 20 0 GCADHN N[C@@H](CNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1)c1ccccc1 ZINC000419491459 1194044112 /nfs/dbraw/zinc/04/41/12/1194044112.db2.gz JSWRLXMEDBBKPN-VQTJNVASSA-N 0 3 396.491 0.992 20 0 GCADHN N[C@H](CNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1)c1ccccc1 ZINC000419491460 1194044455 /nfs/dbraw/zinc/04/44/55/1194044455.db2.gz JSWRLXMEDBBKPN-WOJBJXKFSA-N 0 3 396.491 0.992 20 0 GCADHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000419497496 1194045437 /nfs/dbraw/zinc/04/54/37/1194045437.db2.gz NDJFLPRXZHMKPZ-SOLBZPMBSA-N 0 3 375.469 0.906 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(-c2cnn(C)c2)c1 ZINC000419509395 1194048089 /nfs/dbraw/zinc/04/80/89/1194048089.db2.gz AFWZDQDVXJIYHW-DYVFJYSZSA-N 0 3 385.468 0.933 20 0 GCADHN CCC(CC)C(=O)N1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419508103 1194048344 /nfs/dbraw/zinc/04/83/44/1194048344.db2.gz QRGDFRXRUAWEOK-CZUORRHYSA-N 0 3 396.532 0.759 20 0 GCADHN COCCOc1ccc([C@H](C)NC(=O)C(=O)N2CCCNCC2)cc1OC ZINC000419520544 1194052995 /nfs/dbraw/zinc/05/29/95/1194052995.db2.gz MPJHTDCWJWLPTF-AWEZNQCLSA-N 0 3 379.457 0.720 20 0 GCADHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C12CCC2 ZINC000419538823 1194055609 /nfs/dbraw/zinc/05/56/09/1194055609.db2.gz FMHDHSAGMZTVQR-ARFHVFGLSA-N 0 3 390.488 0.364 20 0 GCADHN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)C(=O)N1CCCNCC1 ZINC000419542996 1194056555 /nfs/dbraw/zinc/05/65/55/1194056555.db2.gz JTQVDQYPRCAOLZ-CQSZACIVSA-N 0 3 378.860 0.774 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)c1ccccc1 ZINC000419581200 1194060395 /nfs/dbraw/zinc/06/03/95/1194060395.db2.gz IZTMFZMMBNEGFX-QGZVFWFLSA-N 0 3 384.484 0.994 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H](CN)c1ccc3ccccc3c1)CC2 ZINC000419573980 1194063940 /nfs/dbraw/zinc/06/39/40/1194063940.db2.gz BNZVPVLVWGRGOX-MSOLQXFVSA-N 0 3 392.463 0.987 20 0 GCADHN COc1ccc(C[C@H](C)NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1OC ZINC000419603848 1194064557 /nfs/dbraw/zinc/06/45/57/1194064557.db2.gz MRYDAUBAAVPLIU-GZBFAFLISA-N 0 3 393.484 0.980 20 0 GCADHN COc1ccc(C[C@H](C)NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000419603849 1194064779 /nfs/dbraw/zinc/06/47/79/1194064779.db2.gz MRYDAUBAAVPLIU-KCQAQPDRSA-N 0 3 393.484 0.980 20 0 GCADHN COc1ccc(C[C@H](C)NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1OC ZINC000419603850 1194064802 /nfs/dbraw/zinc/06/48/02/1194064802.db2.gz MRYDAUBAAVPLIU-YDHLFZDLSA-N 0 3 393.484 0.980 20 0 GCADHN CC(C)[C@H](NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C)c1nc(C2CC2)no1 ZINC000419591350 1194066646 /nfs/dbraw/zinc/06/66/46/1194066646.db2.gz UAXQQIJXLSCIAB-WXHSDQCUSA-N 0 3 379.461 0.990 20 0 GCADHN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1)CC2 ZINC000419589181 1194066887 /nfs/dbraw/zinc/06/68/87/1194066887.db2.gz UXWNHACTZFEIQW-SJORKVTESA-N 0 3 384.484 0.957 20 0 GCADHN CN1C(=O)C[C@@H](NC(=O)C(=O)N2CCCNCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000419595278 1194067766 /nfs/dbraw/zinc/06/77/66/1194067766.db2.gz ORDPFGXNKUHRJO-GDBMZVCRSA-N 0 3 380.395 0.175 20 0 GCADHN CO[C@@H]1[C@H](C)[C@@H](NC(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1(C)C ZINC000419623296 1194071231 /nfs/dbraw/zinc/07/12/31/1194071231.db2.gz FJAHIGNRXXDNSB-FAAHXZRKSA-N 0 3 378.477 0.076 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(CC(F)F)C2)CC1 ZINC000419627147 1194071668 /nfs/dbraw/zinc/07/16/68/1194071668.db2.gz INDHHRTXLTXKNS-AWEZNQCLSA-N 0 3 375.464 0.521 20 0 GCADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)CCC2 ZINC000419629662 1194072191 /nfs/dbraw/zinc/07/21/91/1194072191.db2.gz RQQBYWVZVZXSHR-BPLDGKMQSA-N 0 3 393.488 0.252 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)n[nH]1 ZINC000419632342 1194072670 /nfs/dbraw/zinc/07/26/70/1194072670.db2.gz OIFPLGMUWQZEKC-GXTWGEPZSA-N 0 3 378.477 0.032 20 0 GCADHN NC[C@H](NC(=O)C(=O)NCCS(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000419653929 1194074269 /nfs/dbraw/zinc/07/42/69/1194074269.db2.gz RDVCKUSHVZLSSH-INIZCTEOSA-N 0 3 381.498 0.600 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000419640510 1194075126 /nfs/dbraw/zinc/07/51/26/1194075126.db2.gz KMZCDBRIOMOVKX-PBHICJAKSA-N 0 3 385.468 0.777 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000419640520 1194075399 /nfs/dbraw/zinc/07/53/99/1194075399.db2.gz KMZCDBRIOMOVKX-YOEHRIQHSA-N 0 3 385.468 0.777 20 0 GCADHN COC(=O)c1ccc(CCNC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000419719939 1194092287 /nfs/dbraw/zinc/09/22/87/1194092287.db2.gz GZQJTSYSTHYTAU-IUODEOHRSA-N 0 3 377.441 0.361 20 0 GCADHN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000419753007 1194097408 /nfs/dbraw/zinc/09/74/08/1194097408.db2.gz XSDOQSSLDPHNNF-IKGGRYGDSA-N 0 3 392.504 0.610 20 0 GCADHN COc1cc(C(=O)NCC(=O)N2CCN(C)CC[C@@H]2C)cc(OC)c1OC ZINC000501283403 1194100233 /nfs/dbraw/zinc/10/02/33/1194100233.db2.gz NEDWPOPJGUKXFU-ZDUSSCGKSA-N 0 3 379.457 0.995 20 0 GCADHN NC[C@@H](NC(=O)C(=O)NCC1(N2CCOCC2)CC1)c1ccc2ccccc2c1 ZINC000419769940 1194102121 /nfs/dbraw/zinc/10/21/21/1194102121.db2.gz DYPSEJRWQYKNQS-LJQANCHMSA-N 0 3 396.491 0.937 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC000419777903 1194103894 /nfs/dbraw/zinc/10/38/94/1194103894.db2.gz MCVOSVZDIHXOEJ-ZDUSSCGKSA-N 0 3 381.423 0.997 20 0 GCADHN CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)CC2)c2ccccc2O1 ZINC000419794102 1194105065 /nfs/dbraw/zinc/10/50/65/1194105065.db2.gz DOXDQLDNUMVPBN-INIZCTEOSA-N 0 3 388.468 0.517 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000501287094 1194107960 /nfs/dbraw/zinc/10/79/60/1194107960.db2.gz UYOJDMCWUXKHFW-CQSZACIVSA-N 0 3 396.513 0.866 20 0 GCADHN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCC1(N(C)C)CC1 ZINC000419826822 1194110895 /nfs/dbraw/zinc/11/08/95/1194110895.db2.gz STUGCMPKLLVAIB-MRXNPFEDSA-N 0 3 388.468 0.753 20 0 GCADHN COC(=O)C1CCN(CCCNC(=O)c2cn(Cc3ccccn3)nn2)CC1 ZINC000266251516 1194111139 /nfs/dbraw/zinc/11/11/39/1194111139.db2.gz JSRVCQXQLWPAQT-UHFFFAOYSA-N 0 3 386.456 0.726 20 0 GCADHN C[C@@H]1CN(Cc2ccccc2CNC(=O)C(=O)N2CCCNCC2)C[C@H](C)O1 ZINC000419826162 1194111167 /nfs/dbraw/zinc/11/11/67/1194111167.db2.gz QOSKWCCKCFVOFP-CALCHBBNSA-N 0 3 388.512 0.734 20 0 GCADHN C[C@H]1CN(C(=O)C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)CCN1 ZINC000419829267 1194115347 /nfs/dbraw/zinc/11/53/47/1194115347.db2.gz SRZXCPDWBFXDRN-ULQDDVLXSA-N 0 3 388.512 0.732 20 0 GCADHN Cc1nn(C)c(C)c1NC(=O)CNCCCN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001268856587 1194122464 /nfs/dbraw/zinc/12/24/64/1194122464.db2.gz LPTLVFHFWBHLDK-OAGGEKHMSA-N 0 3 377.489 0.981 20 0 GCADHN CN(C)c1ncccc1O[C@H]1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000419916983 1194138437 /nfs/dbraw/zinc/13/84/37/1194138437.db2.gz FPROKJRBLYGENI-IRXDYDNUSA-N 0 3 397.479 0.944 20 0 GCADHN CCN(CC)C(=O)N1CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419923295 1194139174 /nfs/dbraw/zinc/13/91/74/1194139174.db2.gz GKTRQIFTKUQHCK-INIZCTEOSA-N 0 3 375.473 0.409 20 0 GCADHN CCOC(=O)C1(COC)CCN(C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419927685 1194140251 /nfs/dbraw/zinc/14/02/51/1194140251.db2.gz KCIRRVHQHVTPLB-INIZCTEOSA-N 0 3 391.468 0.621 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000419929797 1194140257 /nfs/dbraw/zinc/14/02/57/1194140257.db2.gz NGAIQYBXSDUXFA-IBGZPJMESA-N 0 3 394.475 0.716 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000419930408 1194140287 /nfs/dbraw/zinc/14/02/87/1194140287.db2.gz OCVVJKOMQQWEBB-SFHVURJKSA-N 0 3 380.448 0.787 20 0 GCADHN N[C@H](CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000419928590 1194140367 /nfs/dbraw/zinc/14/03/67/1194140367.db2.gz LGOIGCOHLBMQFF-QZTJIDSGSA-N 0 3 380.448 0.892 20 0 GCADHN COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419929705 1194140397 /nfs/dbraw/zinc/14/03/97/1194140397.db2.gz MUBSPUGNUHJWDZ-GOSISDBHSA-N 0 3 387.484 0.828 20 0 GCADHN N[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1)c1ccccc1 ZINC000419930924 1194140523 /nfs/dbraw/zinc/14/05/23/1194140523.db2.gz ORMLPQZTJVSJJP-KRWDZBQOSA-N 0 3 384.411 0.817 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000420024733 1194158940 /nfs/dbraw/zinc/15/89/40/1194158940.db2.gz BJZYATGISOOYDD-XOPPTJLZSA-N 0 3 397.422 0.828 20 0 GCADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000420027631 1194159786 /nfs/dbraw/zinc/15/97/86/1194159786.db2.gz DAOXRRODLODCRC-ALYAQQCSSA-N 0 3 396.532 0.316 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000420031437 1194160241 /nfs/dbraw/zinc/16/02/41/1194160241.db2.gz HDITYKTXIVUBSS-APHBMKBZSA-N 0 3 379.432 0.955 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000420031442 1194160377 /nfs/dbraw/zinc/16/03/77/1194160377.db2.gz HDITYKTXIVUBSS-VBNZEHGJSA-N 0 3 379.432 0.955 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000420032330 1194160862 /nfs/dbraw/zinc/16/08/62/1194160862.db2.gz HVEBNPJVTUXHAI-KSYCFECVSA-N 0 3 379.432 0.689 20 0 GCADHN COc1ccc2c(c1)CCN(C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C)CC2 ZINC000420033819 1194160930 /nfs/dbraw/zinc/16/09/30/1194160930.db2.gz IXCAUXZELCXINE-CXAGYDPISA-N 0 3 375.469 0.852 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCCN(Cc2cscn2)CC1 ZINC000420035379 1194161406 /nfs/dbraw/zinc/16/14/06/1194161406.db2.gz KFLZSWGVWFURBX-DZGCQCFKSA-N 0 3 395.529 0.407 20 0 GCADHN [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000420015659 1194162567 /nfs/dbraw/zinc/16/25/67/1194162567.db2.gz LSWZMSABGFRXBN-NVXWUHKLSA-N 0 3 388.468 0.310 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420055758 1194163120 /nfs/dbraw/zinc/16/31/20/1194163120.db2.gz HZCIKTWKBZAVJM-IQUTYRLHSA-N 0 3 399.488 0.034 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CCN2CCOC[C@H]2C1)c1ccc2ccccc2c1 ZINC000420060762 1194164300 /nfs/dbraw/zinc/16/43/00/1194164300.db2.gz QLFARGBEALDVNY-MOPGFXCFSA-N 0 3 382.464 0.499 20 0 GCADHN NC[C@H](NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccc2ccccc2c1 ZINC000420060398 1194164567 /nfs/dbraw/zinc/16/45/67/1194164567.db2.gz PYPSDJMHWLCKHY-PMACEKPBSA-N 0 3 396.491 0.889 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000420038328 1194165375 /nfs/dbraw/zinc/16/53/75/1194165375.db2.gz MXRMZLQRIRMDPK-WDEREUQCSA-N 0 3 398.401 0.260 20 0 GCADHN CCN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000420037608 1194165700 /nfs/dbraw/zinc/16/57/00/1194165700.db2.gz MGYISRXEOUZSFT-RRFJBIMHSA-N 0 3 391.468 0.904 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc(F)c2F)CC1 ZINC000420042065 1194166723 /nfs/dbraw/zinc/16/67/23/1194166723.db2.gz QHLWOMYKEIVDJO-GXTWGEPZSA-N 0 3 396.438 0.843 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)NC[C@H]3NC(C)(C)O[C@H]3C)CC2)n1 ZINC000420042495 1194166989 /nfs/dbraw/zinc/16/69/89/1194166989.db2.gz QVACXUKUGFASRM-WCQYABFASA-N 0 3 396.517 0.114 20 0 GCADHN CCOC(=O)C1(COC)CCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000420043649 1194167551 /nfs/dbraw/zinc/16/75/51/1194167551.db2.gz SCUJPKUWHQCWIU-ZIAGYGMSSA-N 0 3 399.488 0.034 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000420044822 1194168210 /nfs/dbraw/zinc/16/82/10/1194168210.db2.gz UFKUXOVRKUVYBA-UAGQMJEPSA-N 0 3 391.468 0.522 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)[C@@H](CC)CN1C(C)=O ZINC000420045076 1194168379 /nfs/dbraw/zinc/16/83/79/1194168379.db2.gz UJOWAPDXNPXTOM-UKMLZYKCSA-N 0 3 382.505 0.464 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000420047612 1194168868 /nfs/dbraw/zinc/16/88/68/1194168868.db2.gz WMSNWVOHRWVSQF-ZNMIVQPWSA-N 0 3 396.532 0.617 20 0 GCADHN CC(=O)NCCN(Cc1ccsc1)C(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000420047185 1194168964 /nfs/dbraw/zinc/16/89/64/1194168964.db2.gz WCGKCYHJNDIFKM-IUODEOHRSA-N 0 3 396.513 0.442 20 0 GCADHN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)C1 ZINC000420047049 1194169143 /nfs/dbraw/zinc/16/91/43/1194169143.db2.gz VXMZJDXEEZSWDU-KKUMJFAQSA-N 0 3 383.489 0.796 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000420049434 1194169447 /nfs/dbraw/zinc/16/94/47/1194169447.db2.gz YDQZVICCOBYTRZ-RCBQFDQVSA-N 0 3 379.432 0.955 20 0 GCADHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420051049 1194169552 /nfs/dbraw/zinc/16/95/52/1194169552.db2.gz ZWOSKAAMYBUJRE-JJXSEGSLSA-N 0 3 396.532 0.759 20 0 GCADHN C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000420049577 1194169601 /nfs/dbraw/zinc/16/96/01/1194169601.db2.gz GKNAKRGTBCQDQM-SUMWQHHRSA-N 0 3 391.493 0.847 20 0 GCADHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)C1 ZINC000420051051 1194169692 /nfs/dbraw/zinc/16/96/92/1194169692.db2.gz ZWOSKAAMYBUJRE-ZJIFWQFVSA-N 0 3 396.532 0.759 20 0 GCADHN NC[C@@H](NC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2ccccc2c1 ZINC000420067149 1194170670 /nfs/dbraw/zinc/17/06/70/1194170670.db2.gz XJJTVHAKDZGKLY-KZNAEPCWSA-N 0 3 380.448 0.693 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000420055168 1194171050 /nfs/dbraw/zinc/17/10/50/1194171050.db2.gz HQMDVRGUYFNVLU-WMZOPIPTSA-N 0 3 388.512 0.950 20 0 GCADHN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000501500408 1194172551 /nfs/dbraw/zinc/17/25/51/1194172551.db2.gz AOLPTBYMZRRJQC-ULQDDVLXSA-N 0 3 378.521 0.916 20 0 GCADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000420073280 1194172613 /nfs/dbraw/zinc/17/26/13/1194172613.db2.gz YEKKAFHWLMSMBZ-MJBXVCDLSA-N 0 3 377.441 0.514 20 0 GCADHN Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@@H](CN)c1ccc3ccccc3c1)C2 ZINC000420075250 1194173197 /nfs/dbraw/zinc/17/31/97/1194173197.db2.gz JMCHPKHDDDVWMW-KRWDZBQOSA-N 0 3 378.436 0.898 20 0 GCADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000420074722 1194173220 /nfs/dbraw/zinc/17/32/20/1194173220.db2.gz ISNUVJUTHCLXGR-UTKZUKDTSA-N 0 3 382.464 0.940 20 0 GCADHN C[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000420118028 1194186747 /nfs/dbraw/zinc/18/67/47/1194186747.db2.gz IDFLJVUEXGVNGU-LLVKDONJSA-N 0 3 396.875 0.947 20 0 GCADHN COC(=O)c1cnc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000501557498 1194193327 /nfs/dbraw/zinc/19/33/27/1194193327.db2.gz UXNADZGXMTZARZ-CVEARBPZSA-N 0 3 384.436 0.876 20 0 GCADHN Cc1ccc(Cl)cc1N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000420201119 1194203779 /nfs/dbraw/zinc/20/37/79/1194203779.db2.gz NQYXHYHSIOWHEY-HNNXBMFYSA-N 0 3 380.876 0.402 20 0 GCADHN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420205768 1194204748 /nfs/dbraw/zinc/20/47/48/1194204748.db2.gz SDLSBRBVXYMLLL-CYBMUJFWSA-N 0 3 375.347 0.648 20 0 GCADHN COCCN(Cc1ccc(F)cc1Cl)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420187735 1194206387 /nfs/dbraw/zinc/20/63/87/1194206387.db2.gz BSRGRYCRYCTUSN-AWEZNQCLSA-N 0 3 387.839 0.559 20 0 GCADHN Cc1nc2ccccc2n1C1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000420188791 1194206498 /nfs/dbraw/zinc/20/64/98/1194206498.db2.gz CWOGGCGYXZKNDO-MRXNPFEDSA-N 0 3 385.468 0.613 20 0 GCADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000420188851 1194206507 /nfs/dbraw/zinc/20/65/07/1194206507.db2.gz DDJUSKHWMULPIV-HOTGVXAUSA-N 0 3 379.432 0.438 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000420187779 1194206556 /nfs/dbraw/zinc/20/65/56/1194206556.db2.gz BYKRLJOBTLEDPS-IUODEOHRSA-N 0 3 385.823 0.484 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000420193453 1194208517 /nfs/dbraw/zinc/20/85/17/1194208517.db2.gz IXZNIWDYAJIJRP-MRXNPFEDSA-N 0 3 380.876 0.089 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000420195701 1194208918 /nfs/dbraw/zinc/20/89/18/1194208918.db2.gz KUYODFUIRSARQQ-ZIAGYGMSSA-N 0 3 381.860 0.814 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000420209765 1194212384 /nfs/dbraw/zinc/21/23/84/1194212384.db2.gz ZSPFBVHBENFSML-GOSISDBHSA-N 0 3 375.469 0.546 20 0 GCADHN CCOC(=O)C1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000028851848 1194212794 /nfs/dbraw/zinc/21/27/94/1194212794.db2.gz AAUHZZGFZZIHRG-UHFFFAOYSA-N 0 3 383.470 0.938 20 0 GCADHN COc1ccc(C(=O)NCCN2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000614496682 1194221257 /nfs/dbraw/zinc/22/12/57/1194221257.db2.gz YLAQDYMVBMRDMQ-UHFFFAOYSA-N 0 3 397.497 0.542 20 0 GCADHN COC(=O)c1ccc(C)c(S(=O)(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000420481081 1194231526 /nfs/dbraw/zinc/23/15/26/1194231526.db2.gz QCKQWLVRPUFEAQ-HNNXBMFYSA-N 0 3 393.469 0.858 20 0 GCADHN COC(=O)Cc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1F ZINC000420674631 1194253482 /nfs/dbraw/zinc/25/34/82/1194253482.db2.gz NHMZLTDYNCVNCR-UHFFFAOYSA-N 0 3 388.461 0.524 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000420705124 1194255896 /nfs/dbraw/zinc/25/58/96/1194255896.db2.gz JTXWLHMZRPCBCI-HOTGVXAUSA-N 0 3 394.541 0.790 20 0 GCADHN COC(=O)C(C)(C)N1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000430043770 1194267414 /nfs/dbraw/zinc/26/74/14/1194267414.db2.gz BEXFXZBOCANQLF-INIZCTEOSA-N 0 3 383.537 0.149 20 0 GCADHN CON1CCC(N(C)C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000420861368 1194267857 /nfs/dbraw/zinc/26/78/57/1194267857.db2.gz JUIHSTATPUOFNY-GOSISDBHSA-N 0 3 376.501 0.760 20 0 GCADHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000502141946 1194272676 /nfs/dbraw/zinc/27/26/76/1194272676.db2.gz QYDMENSCTPVDRJ-GOEBONIOSA-N 0 3 385.472 0.782 20 0 GCADHN C[C@@H]1[C@H](NC(=O)N2C[C@H](COCC(=O)N(C)C)OC(C)(C)C2)CCCN1C ZINC000502157800 1194276315 /nfs/dbraw/zinc/27/63/15/1194276315.db2.gz DYMASVXLPGATBR-BZUAXINKSA-N 0 3 384.521 0.763 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)c1 ZINC000268765510 1194278020 /nfs/dbraw/zinc/27/80/20/1194278020.db2.gz BLQHGNYLYHQLRR-MRXNPFEDSA-N 0 3 381.498 0.931 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000421045392 1194288315 /nfs/dbraw/zinc/28/83/15/1194288315.db2.gz UXOOPDRYVILHPR-RBUKOAKNSA-N 0 3 388.512 0.729 20 0 GCADHN O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000502262489 1194289386 /nfs/dbraw/zinc/28/93/86/1194289386.db2.gz CRSWTOZQVHIKGX-IAGOWNOFSA-N 0 3 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1194380105 /nfs/dbraw/zinc/38/01/05/1194380105.db2.gz HPOYKDGAVUBEEH-QGZVFWFLSA-N 0 3 397.564 0.539 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C(C)C)C2CC2)CC1 ZINC000026942298 1194380881 /nfs/dbraw/zinc/38/08/81/1194380881.db2.gz PZDDTFCEJZWSDK-UHFFFAOYSA-N 0 3 384.502 0.997 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000422103688 1194386588 /nfs/dbraw/zinc/38/65/88/1194386588.db2.gz HULPURWXEMHGCQ-HNNXBMFYSA-N 0 3 383.514 0.637 20 0 GCADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000422087444 1194388429 /nfs/dbraw/zinc/38/84/29/1194388429.db2.gz QMRBJNLUOAGFLY-INIZCTEOSA-N 0 3 379.432 0.904 20 0 GCADHN C[C@H](CNC(=O)C(=O)NCc1cnccc1C(C)(C)C)CN1CCN(C)CC1 ZINC000422092005 1194389623 /nfs/dbraw/zinc/38/96/23/1194389623.db2.gz XESHMHPDPGNVQZ-MRXNPFEDSA-N 0 3 389.544 0.995 20 0 GCADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000422108996 1194391466 /nfs/dbraw/zinc/39/14/66/1194391466.db2.gz VFEVXDGSXXSVKM-OAHLLOKOSA-N 0 3 379.892 0.936 20 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COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000272267714 1194445453 /nfs/dbraw/zinc/44/54/53/1194445453.db2.gz BHYPITJQWITIHF-GRDNDAEWSA-N 0 3 381.498 0.915 20 0 GCADHN COC[C@@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 ZINC000272268812 1194445818 /nfs/dbraw/zinc/44/58/18/1194445818.db2.gz AUHIOZMWIMZFHT-QGZVFWFLSA-N 0 3 397.497 0.661 20 0 GCADHN COc1cc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1OCC(N)=O ZINC000272288266 1194446274 /nfs/dbraw/zinc/44/62/74/1194446274.db2.gz CUHDFOJJYRAYPW-GJZGRUSLSA-N 0 3 376.457 0.795 20 0 GCADHN CN(CCc1ccccn1)C(=O)CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000272293805 1194446758 /nfs/dbraw/zinc/44/67/58/1194446758.db2.gz BXTRVEOCJNMJGE-UHFFFAOYSA-N 0 3 390.532 0.361 20 0 GCADHN COC[C@@H](NCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C1CC1 ZINC000272365692 1194453893 /nfs/dbraw/zinc/45/38/93/1194453893.db2.gz SUXJKYVHLVJPOV-DNVCBOLYSA-N 0 3 390.440 0.508 20 0 GCADHN Cc1ccc(NC(=O)CN(C)CCCN2CCN(C)CC2)cc1S(N)(=O)=O ZINC000272483287 1194465606 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/nfs/dbraw/zinc/64/04/26/1194640426.db2.gz JFQZTENHKBPLCK-GJZGRUSLSA-N 0 3 380.514 0.669 20 0 GCADHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000422412526 1194640539 /nfs/dbraw/zinc/64/05/39/1194640539.db2.gz JFQZTENHKBPLCK-CABCVRRESA-N 0 3 380.514 0.669 20 0 GCADHN COC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)[C@H]1CCCO1 ZINC000422428917 1194642858 /nfs/dbraw/zinc/64/28/58/1194642858.db2.gz RQUZMXVJOHWOJJ-HZPDHXFCSA-N 0 3 383.514 0.949 20 0 GCADHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000422437018 1194645208 /nfs/dbraw/zinc/64/52/08/1194645208.db2.gz YJQSUBIZJFWAMF-UHFFFAOYSA-N 0 3 394.541 0.619 20 0 GCADHN CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000422440135 1194645969 /nfs/dbraw/zinc/64/59/69/1194645969.db2.gz FGFFNICYDIVVCO-IXDOHACOSA-N 0 3 394.516 0.215 20 0 GCADHN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cn1 ZINC000422525575 1194661994 /nfs/dbraw/zinc/66/19/94/1194661994.db2.gz FGVXSOAJTNHSGH-UOVPBQLFSA-N 0 3 391.516 0.942 20 0 GCADHN CS(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000422526190 1194662040 /nfs/dbraw/zinc/66/20/40/1194662040.db2.gz GGTRDUSNWYXOLQ-MRXNPFEDSA-N 0 3 393.509 0.793 20 0 GCADHN C[C@@H](CNC(=O)C(=O)NCc1ccccc1S(C)(=O)=O)N1CCC[C@H](C)C1 ZINC000422529491 1194662832 /nfs/dbraw/zinc/66/28/32/1194662832.db2.gz LLJMUHIHROEFBM-GJZGRUSLSA-N 0 3 395.525 0.943 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000422535102 1194664295 /nfs/dbraw/zinc/66/42/95/1194664295.db2.gz ZWCWNNLBYQAMPJ-INIZCTEOSA-N 0 3 394.447 0.084 20 0 GCADHN CCOC[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000503440299 1194668052 /nfs/dbraw/zinc/66/80/52/1194668052.db2.gz DNWZJTADMQOUQX-ULQDDVLXSA-N 0 3 390.546 0.832 20 0 GCADHN CO[C@@H](Cc1ccccc1)CS(=O)(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000422552300 1194668186 /nfs/dbraw/zinc/66/81/86/1194668186.db2.gz PYLFFEISGQKQHR-MSOLQXFVSA-N 0 3 393.513 0.961 20 0 GCADHN CO[C@@H](Cc1ccccc1)CS(=O)(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000422552302 1194668668 /nfs/dbraw/zinc/66/86/68/1194668668.db2.gz PYLFFEISGQKQHR-ROUUACIJSA-N 0 3 393.513 0.961 20 0 GCADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc(C)n1 ZINC000422585656 1194669010 /nfs/dbraw/zinc/66/90/10/1194669010.db2.gz DJHYZJJXIBWJRJ-QGZVFWFLSA-N 0 3 387.484 0.080 20 0 GCADHN Cc1cc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc(C)n1 ZINC000422591796 1194670314 /nfs/dbraw/zinc/67/03/14/1194670314.db2.gz RQWUWXNKXGDVLZ-UHFFFAOYSA-N 0 3 387.484 0.081 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC(C)(C)C1(O)CCOCC1 ZINC000422581613 1194671556 /nfs/dbraw/zinc/67/15/56/1194671556.db2.gz QTFMXFLZVLLMBO-CVEARBPZSA-N 0 3 381.517 0.756 20 0 GCADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CCN(CC(F)F)C2)o1 ZINC000422583740 1194672150 /nfs/dbraw/zinc/67/21/50/1194672150.db2.gz CYQNUJMFNNWDIS-AWEZNQCLSA-N 0 3 386.443 0.934 20 0 GCADHN CCCN1C[C@@H](CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC1=O ZINC000422601142 1194673174 /nfs/dbraw/zinc/67/31/74/1194673174.db2.gz BMVBPBBZTFGJBO-MRXNPFEDSA-N 0 3 378.517 0.838 20 0 GCADHN COC1([C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CCOCC1 ZINC000422633210 1194679402 /nfs/dbraw/zinc/67/94/02/1194679402.db2.gz IPLMEAOJMGPEOO-OAHLLOKOSA-N 0 3 381.473 0.870 20 0 GCADHN CN(CCO)S(=O)(=O)c1ccccc1CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423000771 1194716113 /nfs/dbraw/zinc/71/61/13/1194716113.db2.gz ZXPOWNUELSHOJM-AEFFLSMTSA-N 0 3 383.514 0.156 20 0 GCADHN COCc1ncc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(N)n1 ZINC000503829531 1194722749 /nfs/dbraw/zinc/72/27/49/1194722749.db2.gz OSFPRVRITCGJRP-RDJZCZTQSA-N 0 3 385.468 0.818 20 0 GCADHN C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000423135149 1194732964 /nfs/dbraw/zinc/73/29/64/1194732964.db2.gz SWZLZDBSTYVJAN-ZBFHGGJFSA-N 0 3 388.468 0.262 20 0 GCADHN CC(C)(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000414722224 1194739305 /nfs/dbraw/zinc/73/93/05/1194739305.db2.gz LIPVPJUSQMBENM-UHFFFAOYSA-N 0 3 388.468 0.824 20 0 GCADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000423322109 1194746824 /nfs/dbraw/zinc/74/68/24/1194746824.db2.gz NORBETBMYWOJKW-BFJAYTPKSA-N 0 3 381.498 0.220 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC[C@H](C(N)=O)C3)c2)CC1 ZINC000504044474 1194746903 /nfs/dbraw/zinc/74/69/03/1194746903.db2.gz MQHAKEUKEJMAGG-HNNXBMFYSA-N 0 3 387.484 0.489 20 0 GCADHN Cc1cccc2c1CN(C(=O)C(=O)N1CCC[C@H](n3cc(CN)nn3)C1)CC2 ZINC000423318011 1194747059 /nfs/dbraw/zinc/74/70/59/1194747059.db2.gz BWPRWQYDSVLEDX-KRWDZBQOSA-N 0 3 382.468 0.794 20 0 GCADHN NCc1cn([C@H]2CCCN(C(=O)C(=O)N3CCc4ccc(F)cc4C3)C2)nn1 ZINC000423302168 1194748049 /nfs/dbraw/zinc/74/80/49/1194748049.db2.gz JCIKIPVFDBWQOP-KRWDZBQOSA-N 0 3 386.431 0.624 20 0 GCADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000423330111 1194749685 /nfs/dbraw/zinc/74/96/85/1194749685.db2.gz TXIQDTAXPICAEW-UNIGVISCSA-N 0 3 399.488 0.359 20 0 GCADHN CNC(=O)CN(C)C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000504101159 1194753162 /nfs/dbraw/zinc/75/31/62/1194753162.db2.gz WPNVGFRFYAZZQI-UHFFFAOYSA-N 0 3 375.473 0.360 20 0 GCADHN COc1cccc2c1CCN(C(=O)C(=O)N1CCC[C@@H](n3cc(CN)nn3)C1)C2 ZINC000423396201 1194753233 /nfs/dbraw/zinc/75/32/33/1194753233.db2.gz TXTKZDTUGYEBSW-MRXNPFEDSA-N 0 3 398.467 0.494 20 0 GCADHN CC(C)C[C@@]1(CO)CCCN1C(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000423571538 1194768568 /nfs/dbraw/zinc/76/85/68/1194768568.db2.gz OUQJTAHERGZVKY-QFBILLFUSA-N 0 3 392.504 0.300 20 0 GCADHN CS[C@@H]1CCCCN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC000423573820 1194768806 /nfs/dbraw/zinc/76/88/06/1194768806.db2.gz WJUQOQQOYKVCSK-LSDHHAIUSA-N 0 3 380.518 0.644 20 0 GCADHN CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)CCS1 ZINC000423579956 1194769881 /nfs/dbraw/zinc/76/98/81/1194769881.db2.gz XFWZOVYHRRSMPQ-LSDHHAIUSA-N 0 3 380.518 0.500 20 0 GCADHN O=C(N[C@H]1CCCN(C(=O)C(=O)N2CCCNCC2)C1)c1cc2ccccc2o1 ZINC000423612372 1194773625 /nfs/dbraw/zinc/77/36/25/1194773625.db2.gz PEKHDFUDHWUPQV-INIZCTEOSA-N 0 3 398.463 0.976 20 0 GCADHN CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000423616047 1194774039 /nfs/dbraw/zinc/77/40/39/1194774039.db2.gz RUCNRIOPEZDWTQ-UHFFFAOYSA-N 0 3 376.457 0.120 20 0 GCADHN CC[C@@H]1CN(C(=O)C(=O)N(CCN)Cc2ccccc2)C[C@H](C)S1(=O)=O ZINC000423670797 1194782518 /nfs/dbraw/zinc/78/25/18/1194782518.db2.gz VNYIGCRSKUOAOS-GOEBONIOSA-N 0 3 381.498 0.398 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1 ZINC000414756519 1194784708 /nfs/dbraw/zinc/78/47/08/1194784708.db2.gz JXKNQCIXAPOCQS-BXUZGUMPSA-N 0 3 378.429 0.824 20 0 GCADHN C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000423678913 1194784923 /nfs/dbraw/zinc/78/49/23/1194784923.db2.gz LEBZVTUMKQYZKF-RHSMWYFYSA-N 0 3 388.468 0.405 20 0 GCADHN CCS(=O)(=O)N(C)CCCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000504406925 1194793566 /nfs/dbraw/zinc/79/35/66/1194793566.db2.gz UJHJVEHECVKQBW-UHFFFAOYSA-N 0 3 385.534 0.826 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H]1c1nncn1C ZINC000504446863 1194794534 /nfs/dbraw/zinc/79/45/34/1194794534.db2.gz UTAGNWZAOZYREH-LSDHHAIUSA-N 0 3 377.493 0.604 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)c2)CC1 ZINC000504497631 1194796198 /nfs/dbraw/zinc/79/61/98/1194796198.db2.gz VDOFIPOFFWWEMN-UHFFFAOYSA-N 0 3 389.500 0.783 20 0 GCADHN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000423991708 1194797344 /nfs/dbraw/zinc/79/73/44/1194797344.db2.gz MVVNGRNXSRNKQP-JKSUJKDBSA-N 0 3 381.498 0.408 20 0 GCADHN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3CNCCO3)n(C)c2)C1 ZINC000423990129 1194798294 /nfs/dbraw/zinc/79/82/94/1194798294.db2.gz JTVGPERTWKYXSL-KBPBESRZSA-N 0 3 384.502 0.164 20 0 GCADHN C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC[C@H]1CNCCO1 ZINC000423998049 1194798688 /nfs/dbraw/zinc/79/86/88/1194798688.db2.gz ZGGSBMUPNLTOKY-GHMZBOCLSA-N 0 3 395.403 0.477 20 0 GCADHN Cc1ccc(-c2nnn(CC(=O)N3CCC[C@H](n4cc(CN)nn4)C3)n2)cc1 ZINC000424009438 1194799089 /nfs/dbraw/zinc/79/90/89/1194799089.db2.gz YIJUDJJIZPEGNQ-INIZCTEOSA-N 0 3 381.444 0.562 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424070549 1194800785 /nfs/dbraw/zinc/80/07/85/1194800785.db2.gz CPKYCZZMTXDHIE-FZMZJTMJSA-N 0 3 378.454 0.875 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCC(=O)NC3CC3)c2)CC1 ZINC000504606340 1194801359 /nfs/dbraw/zinc/80/13/59/1194801359.db2.gz MUIXMMGHRCCSDA-UHFFFAOYSA-N 0 3 387.484 0.550 20 0 GCADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000504776008 1194805778 /nfs/dbraw/zinc/80/57/78/1194805778.db2.gz PHMZPUMTGHAXSQ-DSKINZAPSA-N 0 3 386.496 0.980 20 0 GCADHN CS(=O)(=O)CCCCNC(=O)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000424540494 1194822709 /nfs/dbraw/zinc/82/27/09/1194822709.db2.gz GHLBOTLYZBDDKV-QGZVFWFLSA-N 0 3 391.493 0.897 20 0 GCADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@]3(O)CCOC3)c2)CC1 ZINC000505026006 1194825209 /nfs/dbraw/zinc/82/52/09/1194825209.db2.gz BXUIWGPNRNQESZ-FQEVSTJZSA-N 0 3 390.484 0.423 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000505348917 1194835325 /nfs/dbraw/zinc/83/53/25/1194835325.db2.gz JCBKGVFPZNRXCK-UHFFFAOYSA-N 0 3 389.500 0.877 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CSCC(=O)N2CCCCC2)CC1 ZINC000505387269 1194836531 /nfs/dbraw/zinc/83/65/31/1194836531.db2.gz FTVGSCJXXPLLKQ-UHFFFAOYSA-N 0 3 398.573 0.745 20 0 GCADHN Cc1oc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1S(=O)(=O)N(C)C ZINC000366584170 1194843945 /nfs/dbraw/zinc/84/39/45/1194843945.db2.gz MVZWLHZKVORRBA-AWEZNQCLSA-N 0 3 385.486 0.821 20 0 GCADHN C[C@@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000366588713 1194850820 /nfs/dbraw/zinc/85/08/20/1194850820.db2.gz QEEYBTOHBYHAPI-ZFWWWQNUSA-N 0 3 378.473 0.609 20 0 GCADHN COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1ccc3c(c1)CNCCO3)CC2 ZINC000414847835 1194852363 /nfs/dbraw/zinc/85/23/63/1194852363.db2.gz JXJZPQLJUAXDMK-HNNXBMFYSA-N 0 3 387.436 0.909 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN[C@@H](C)[C@@H]2C)c1 ZINC000434710104 1194861149 /nfs/dbraw/zinc/86/11/49/1194861149.db2.gz ZHWMTOJWAPXDRJ-KBPBESRZSA-N 0 3 384.502 0.088 20 0 GCADHN COc1cccc(COC[C@H](O)CN2CCC([C@@H](O)C(=O)NC3CC3)CC2)c1 ZINC000434718225 1194863722 /nfs/dbraw/zinc/86/37/22/1194863722.db2.gz OSRUDOXECXRQII-UYAOXDASSA-N 0 3 392.496 0.924 20 0 GCADHN CC[C@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000664442139 1194865643 /nfs/dbraw/zinc/86/56/43/1194865643.db2.gz RJGYIOOEYJJIBB-MUGJNUQGSA-N 0 3 390.528 0.982 20 0 GCADHN Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000434783938 1194869391 /nfs/dbraw/zinc/86/93/91/1194869391.db2.gz MAUICWGWOPKJSA-KBPBESRZSA-N 0 3 375.473 0.879 20 0 GCADHN CCc1csc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000434829460 1194871808 /nfs/dbraw/zinc/87/18/08/1194871808.db2.gz XGDVPVZKOUBQNZ-ZDUSSCGKSA-N 0 3 379.486 0.409 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000434838408 1194873593 /nfs/dbraw/zinc/87/35/93/1194873593.db2.gz KJDLJISBOVHVFM-INIZCTEOSA-N 0 3 388.468 0.713 20 0 GCADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)c1ccnc(Cl)c1)C2 ZINC001269875921 1194876001 /nfs/dbraw/zinc/87/60/01/1194876001.db2.gz FXADEWHBMDHTOX-GOSISDBHSA-N 0 3 380.876 0.988 20 0 GCADHN C[C@H]1[C@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CCN1Cc1ccccc1 ZINC000366610903 1194879449 /nfs/dbraw/zinc/87/94/49/1194879449.db2.gz YGMJQSHOIUUNPD-WMLDXEAASA-N 0 3 391.497 0.478 20 0 GCADHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000514588411 1194885555 /nfs/dbraw/zinc/88/55/55/1194885555.db2.gz BKJPPHQNUHBMSH-RHSMWYFYSA-N 0 3 388.468 0.429 20 0 GCADHN C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000514588412 1194885635 /nfs/dbraw/zinc/88/56/35/1194885635.db2.gz BKJPPHQNUHBMSH-WMLDXEAASA-N 0 3 388.468 0.429 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000514616398 1194888253 /nfs/dbraw/zinc/88/82/53/1194888253.db2.gz OSJIDARKVKWQRO-GXSJLCMTSA-N 0 3 386.330 0.136 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)CC1=O ZINC000514633432 1194889531 /nfs/dbraw/zinc/88/95/31/1194889531.db2.gz CIJFISCOJRIKLP-INIZCTEOSA-N 0 3 386.456 0.381 20 0 GCADHN Cc1cc([C@@H]2CCCN(C(=O)NCCCCN3CCN(CCO)CC3)C2)[nH]n1 ZINC000514680321 1194892465 /nfs/dbraw/zinc/89/24/65/1194892465.db2.gz WXBPXGXKOKGQKJ-GOSISDBHSA-N 0 3 392.548 0.997 20 0 GCADHN COC(=O)c1ccc(OCCNC(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC000514715391 1194896679 /nfs/dbraw/zinc/89/66/79/1194896679.db2.gz IQYTVYUMVDSLTD-INIZCTEOSA-N 0 3 379.457 0.998 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)Cn2nnnc2-c2ccsc2)CC1 ZINC000514729182 1194900878 /nfs/dbraw/zinc/90/08/78/1194900878.db2.gz FGOCGHWGDXGCSI-CQSZACIVSA-N 0 3 377.518 0.791 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)COc2cc(F)cc(F)c2)CC1=O ZINC000425313174 1194906948 /nfs/dbraw/zinc/90/69/48/1194906948.db2.gz HVFLZIDKWMZPLH-OAHLLOKOSA-N 0 3 385.411 0.639 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc3nccnc3cc2F)CC1=O ZINC000425317199 1194909501 /nfs/dbraw/zinc/90/95/01/1194909501.db2.gz MXTYQPQDHOZKHZ-ZDUSSCGKSA-N 0 3 389.431 0.678 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)C23CCC(C(=O)OC)(CC2)C3)CC1=O ZINC000425318765 1194909648 /nfs/dbraw/zinc/90/96/48/1194909648.db2.gz PEETXSRCERMNRT-VMEOHVCESA-N 0 3 395.500 0.405 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCC(=O)c3cccn32)CC1=O ZINC000425318743 1194909720 /nfs/dbraw/zinc/90/97/20/1194909720.db2.gz PBNMDIJWROWPOD-GOEBONIOSA-N 0 3 376.457 0.301 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)CC1=O ZINC000425319351 1194910844 /nfs/dbraw/zinc/91/08/44/1194910844.db2.gz PTRPKDWOCOBMFX-AWEZNQCLSA-N 0 3 375.429 0.579 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(OC(F)F)cn2)CC1=O ZINC000425319915 1194912888 /nfs/dbraw/zinc/91/28/88/1194912888.db2.gz QEEGXTHXHJSTRA-LBPRGKRZSA-N 0 3 386.399 0.592 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)CCc2nc3cc[nH]cc-3n2)CC1=O ZINC000425322284 1194914147 /nfs/dbraw/zinc/91/41/47/1194914147.db2.gz SPIKVHBPAWEKMB-CQSZACIVSA-N 0 3 388.472 0.186 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)Cc2ccc(NC(C)=O)cc2)CC1=O ZINC000425326192 1194916251 /nfs/dbraw/zinc/91/62/51/1194916251.db2.gz YJBWISNMPNHBGG-GOSISDBHSA-N 0 3 390.484 0.483 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2Cc3cccc(C)c3O2)CC1=O ZINC000425327253 1194916550 /nfs/dbraw/zinc/91/65/50/1194916550.db2.gz ZMKKLXSNJJBBOL-IAGOWNOFSA-N 0 3 375.469 0.594 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2Cc3cccc(C)c3O2)CC1=O ZINC000425327252 1194916668 /nfs/dbraw/zinc/91/66/68/1194916668.db2.gz ZMKKLXSNJJBBOL-DLBZAZTESA-N 0 3 375.469 0.594 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)CC1=O ZINC000425327255 1194916702 /nfs/dbraw/zinc/91/67/02/1194916702.db2.gz ZMKKLXSNJJBBOL-SJORKVTESA-N 0 3 375.469 0.594 20 0 GCADHN CC(C)(CC(N)=O)NCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000514818271 1194917064 /nfs/dbraw/zinc/91/70/64/1194917064.db2.gz OMGRBBWEBUSEGR-UHFFFAOYSA-N 0 3 376.457 0.019 20 0 GCADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000514847614 1194920397 /nfs/dbraw/zinc/92/03/97/1194920397.db2.gz FNRCYWFZPNGFRY-OAHLLOKOSA-N 0 3 377.832 0.628 20 0 GCADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCN(C)C)C1CC1 ZINC000505668146 1194921954 /nfs/dbraw/zinc/92/19/54/1194921954.db2.gz DRFJIBVOKJKQBN-LBPRGKRZSA-N 0 3 382.486 0.005 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)no1 ZINC000514891358 1194926003 /nfs/dbraw/zinc/92/60/03/1194926003.db2.gz SWMSESNDTNAQFA-QGZVFWFLSA-N 0 3 391.516 0.864 20 0 GCADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(c4ccnn4CCO)CC3)[C@@H]2C1 ZINC000425377646 1194930359 /nfs/dbraw/zinc/93/03/59/1194930359.db2.gz AEZOTMXVBQAGRL-FUHWJXTLSA-N 0 3 389.500 0.134 20 0 GCADHN CN(C[C@H](O)COCc1ccccc1)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425378168 1194931538 /nfs/dbraw/zinc/93/15/38/1194931538.db2.gz BPECRKMFSWWZCR-GBESFXJTSA-N 0 3 389.496 0.575 20 0 GCADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCC3(c4ccccc4)CCOCC3)CCN2C1=O ZINC000514949297 1194933010 /nfs/dbraw/zinc/93/30/10/1194933010.db2.gz DGZSKVULSZDOCK-QZTJIDSGSA-N 0 3 386.496 0.095 20 0 GCADHN O=C(C(=O)N1CCn2ncnc2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425383713 1194934628 /nfs/dbraw/zinc/93/46/28/1194934628.db2.gz IZEXUBFAHNLRIW-DLBZAZTESA-N 0 3 380.452 0.353 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NCCCC(=O)N2CCc3ccccc32)n1 ZINC000515011828 1194938571 /nfs/dbraw/zinc/93/85/71/1194938571.db2.gz UAGZOGLQSLGNFZ-UHFFFAOYSA-N 0 3 399.499 0.143 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(NC(C)=O)cc1OC ZINC000435501949 1194939307 /nfs/dbraw/zinc/93/93/07/1194939307.db2.gz OPSXFJRTPDKOSF-UHFFFAOYSA-N 0 3 380.445 0.629 20 0 GCADHN COCC(C)(C)N1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000425390090 1194941695 /nfs/dbraw/zinc/94/16/95/1194941695.db2.gz QINRGKIUMGUVNI-UHFFFAOYSA-N 0 3 394.516 0.739 20 0 GCADHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425393658 1194942010 /nfs/dbraw/zinc/94/20/10/1194942010.db2.gz DMMRHJLRAQQXHA-IPMKNSEASA-N 0 3 384.480 0.456 20 0 GCADHN N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000515054128 1194942184 /nfs/dbraw/zinc/94/21/84/1194942184.db2.gz DXLXQBIMZCRLMR-SFHVURJKSA-N 0 3 396.495 0.532 20 0 GCADHN CCOC(=O)C1CCN(S(=O)(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000515082361 1194944579 /nfs/dbraw/zinc/94/45/79/1194944579.db2.gz DQSCCDVEUJSDSS-UHFFFAOYSA-N 0 3 390.550 0.124 20 0 GCADHN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCO1 ZINC000366629909 1194946083 /nfs/dbraw/zinc/94/60/83/1194946083.db2.gz KWPVGLWJRJIBEO-OAGGEKHMSA-N 0 3 398.504 0.785 20 0 GCADHN Cc1ccccc1O[C@@H](C)CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000284409785 1194954644 /nfs/dbraw/zinc/95/46/44/1194954644.db2.gz ULBXKDTXRUODON-WMZOPIPTSA-N 0 3 390.528 0.878 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCCCN2CCN(C)CC2)C1 ZINC000515208345 1194958802 /nfs/dbraw/zinc/95/88/02/1194958802.db2.gz NOEUGZOGQIBORV-MRXNPFEDSA-N 0 3 390.550 0.124 20 0 GCADHN C[C@H](c1nccs1)N1CCN(C(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425408783 1194963455 /nfs/dbraw/zinc/96/34/55/1194963455.db2.gz XURVPIQKALYGRV-OWCLPIDISA-N 0 3 391.541 0.901 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)N1CCCC[C@@H]1C ZINC000515280028 1194964387 /nfs/dbraw/zinc/96/43/87/1194964387.db2.gz OKURIHUFCXLURN-KBPBESRZSA-N 0 3 376.457 0.868 20 0 GCADHN CCCNC(=O)CN1CCC(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000435801732 1194966146 /nfs/dbraw/zinc/96/61/46/1194966146.db2.gz UYZCJOFBEISEEM-INIZCTEOSA-N 0 3 397.564 0.464 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1Cl ZINC000515312336 1194967821 /nfs/dbraw/zinc/96/78/21/1194967821.db2.gz KVQZVPYXGJRHTI-SWLSCSKDSA-N 0 3 392.887 0.504 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3cc(F)c(F)cc3N3CCOCC3)CCN2C1=O ZINC000515356977 1194970223 /nfs/dbraw/zinc/97/02/23/1194970223.db2.gz OMXXKNLWDYYXGJ-SMDDNHRTSA-N 0 3 395.410 0.577 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1)N1CCC(C)CC1 ZINC000515390812 1194971071 /nfs/dbraw/zinc/97/10/71/1194971071.db2.gz SNGDVYYRPAOEML-KGLIPLIRSA-N 0 3 378.439 0.976 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCc2ccc(C)nc2)CC1 ZINC000515439522 1194975208 /nfs/dbraw/zinc/97/52/08/1194975208.db2.gz BALGBFGQDDHVGN-INIZCTEOSA-N 0 3 375.517 0.439 20 0 GCADHN CS(=O)(=O)c1ccc(CNC(=O)CN[C@@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000425446722 1194979556 /nfs/dbraw/zinc/97/95/56/1194979556.db2.gz QGBLWCNSBYPILE-QAPCUYQASA-N 0 3 379.482 0.353 20 0 GCADHN COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000515535348 1194981779 /nfs/dbraw/zinc/98/17/79/1194981779.db2.gz PUUINXOEGSWJMS-CVEARBPZSA-N 0 3 385.505 0.256 20 0 GCADHN COCCN1CCC(NC(=O)N2CCN(Cc3nc(COC)no3)CC2)CC1 ZINC000436081539 1194984254 /nfs/dbraw/zinc/98/42/54/1194984254.db2.gz KGNYNRWFOQIBLD-UHFFFAOYSA-N 0 3 396.492 0.154 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)C[C@@H]21 ZINC000515598484 1194986372 /nfs/dbraw/zinc/98/63/72/1194986372.db2.gz OADTZIOBJGHYSG-RYRKJORJSA-N 0 3 393.509 0.920 20 0 GCADHN Cc1cc(N2CCC(NC(=O)C(=O)N(C)CCN3CCCC3)CC2)nc(C)n1 ZINC000515701268 1194992046 /nfs/dbraw/zinc/99/20/46/1194992046.db2.gz KHDMZNPVCKSFEL-UHFFFAOYSA-N 0 3 388.516 0.733 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)COc1ccc(Cl)cc1)C2 ZINC001270075711 1194995714 /nfs/dbraw/zinc/99/57/14/1194995714.db2.gz QXZPLIXHVCZVRT-UHFFFAOYSA-N 0 3 381.860 0.720 20 0 GCADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3CCOCC4(CC4)C3)CC2)C[C@@H](C)O1 ZINC000515795618 1194997796 /nfs/dbraw/zinc/99/77/96/1194997796.db2.gz MMDZQRKQFRGLBD-IAGOWNOFSA-N 0 3 393.528 0.973 20 0 GCADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CC[C@H](c3nc[nH]n3)C2)c1C ZINC000425527662 1194998857 /nfs/dbraw/zinc/99/88/57/1194998857.db2.gz AZCITWKNJYOBGF-LBPRGKRZSA-N 0 3 378.458 0.497 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000515817392 1194999155 /nfs/dbraw/zinc/99/91/55/1194999155.db2.gz PRFCVXMMWOXRNR-ULQDDVLXSA-N 0 3 396.532 0.055 20 0 GCADHN C[C@H](NC(C)(C)CNC(=O)C(=O)N(C)CCS(C)(=O)=O)c1ccccc1 ZINC000286304251 1194999708 /nfs/dbraw/zinc/99/97/08/1194999708.db2.gz DSUPYOZFZHHPDZ-AWEZNQCLSA-N 0 3 383.514 0.735 20 0 GCADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425551602 1195007212 /nfs/dbraw/zinc/00/72/12/1195007212.db2.gz QMRVOQYSVORILQ-NWDGAFQWSA-N 0 3 390.469 0.219 20 0 GCADHN CN(CCCNC(=O)CN1CC2(CCC2)[C@@H]1C1CCOCC1)S(C)(=O)=O ZINC000425553843 1195008313 /nfs/dbraw/zinc/00/83/13/1195008313.db2.gz NHPWSYFXGPSABE-KRWDZBQOSA-N 0 3 387.546 0.665 20 0 GCADHN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425553453 1195008416 /nfs/dbraw/zinc/00/84/16/1195008416.db2.gz UNBKFUHAGOTIFQ-CXAGYDPISA-N 0 3 396.451 0.976 20 0 GCADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C[C@@H]1O ZINC000664562555 1195011876 /nfs/dbraw/zinc/01/18/76/1195011876.db2.gz WHIDJUWFMPGFOG-LKTVYLICSA-N 0 3 384.839 0.901 20 0 GCADHN Cc1nnc([C@H](C)NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)s1 ZINC000516114583 1195022876 /nfs/dbraw/zinc/02/28/76/1195022876.db2.gz LSTZTXVWZYGHMI-ZFWWWQNUSA-N 0 3 394.545 0.651 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@H](C)NC[C@@H]2C)c1 ZINC000505857873 1195023190 /nfs/dbraw/zinc/02/31/90/1195023190.db2.gz WMKSRWPNBUJJBH-KBPBESRZSA-N 0 3 384.502 0.088 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000516204584 1195031790 /nfs/dbraw/zinc/03/17/90/1195031790.db2.gz PUVZBCZOOCIZBU-QGZVFWFLSA-N 0 3 377.489 0.969 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000505875107 1195032696 /nfs/dbraw/zinc/03/26/96/1195032696.db2.gz RTIBEJOJJXFTFS-VXGBXAGGSA-N 0 3 384.502 0.901 20 0 GCADHN CCN1CCN(CCNC(=O)C(=O)Nc2cccc3c2ccn(C)c3=O)CC1 ZINC000505876777 1195033069 /nfs/dbraw/zinc/03/30/69/1195033069.db2.gz GVMDMVBPTJWXTF-UHFFFAOYSA-N 0 3 385.468 0.231 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCC(F)(F)C2)CC1 ZINC000516333823 1195043436 /nfs/dbraw/zinc/04/34/36/1195043436.db2.gz GYLIKVUXMMIKRW-ZIAGYGMSSA-N 0 3 386.443 0.303 20 0 GCADHN CNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000664590963 1195046845 /nfs/dbraw/zinc/04/68/45/1195046845.db2.gz LXBHISBEHALQIW-OAHLLOKOSA-N 0 3 383.518 0.298 20 0 GCADHN O=C(NCCCCN1CCN(c2ncccn2)CC1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425664171 1195052951 /nfs/dbraw/zinc/05/29/51/1195052951.db2.gz OMMHTQWDFOZBRO-MRXNPFEDSA-N 0 3 399.503 0.696 20 0 GCADHN CC(C)(CNC(=O)C(=O)N1CCCN(C2CCCC2)CC1)N1CCOCC1 ZINC000549985223 1195055443 /nfs/dbraw/zinc/05/54/43/1195055443.db2.gz FKCFWSABENOTDK-UHFFFAOYSA-N 0 3 380.533 0.690 20 0 GCADHN C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)C1=CCN(C)CC1 ZINC000288449654 1195060277 /nfs/dbraw/zinc/06/02/77/1195060277.db2.gz FQLPVVVCZIPAEZ-YPMHNXCESA-N 0 3 390.406 0.423 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000516548502 1195065568 /nfs/dbraw/zinc/06/55/68/1195065568.db2.gz QRUKOCYYZALLOL-KRWDZBQOSA-N 0 3 399.438 0.901 20 0 GCADHN CCOC(=O)Cn1cnc(NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)n1 ZINC000425711360 1195066040 /nfs/dbraw/zinc/06/60/40/1195066040.db2.gz MUXVKFQJRMCKEM-HNNXBMFYSA-N 0 3 390.444 1.274 20 0 GCADHN COCCN(CCN(C)C)C(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000516573291 1195069165 /nfs/dbraw/zinc/06/91/65/1195069165.db2.gz YHVHSQDSEFFSJE-HNNXBMFYSA-N 0 3 379.461 0.214 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)NCCNC(=O)CCCc3ccccc3)CCN2C1=O ZINC000516584869 1195071223 /nfs/dbraw/zinc/07/12/23/1195071223.db2.gz FBXPCTIBSWTNPA-SJORKVTESA-N 0 3 387.484 0.079 20 0 GCADHN CCOC(=O)Cn1cnc(NC(=O)N(CCN(C)C)Cc2ccccn2)n1 ZINC000425730076 1195073600 /nfs/dbraw/zinc/07/36/00/1195073600.db2.gz QFKDVDSPZBNKLT-UHFFFAOYSA-N 0 3 375.433 0.832 20 0 GCADHN CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000516589804 1195073698 /nfs/dbraw/zinc/07/36/98/1195073698.db2.gz SVGHMRRKRQXAOY-CQSZACIVSA-N 0 3 384.521 0.413 20 0 GCADHN COc1cc(C(=O)Nc2cnccc2N2CCN(C)CC2)ccc1OCC(N)=O ZINC000516624981 1195075245 /nfs/dbraw/zinc/07/52/45/1195075245.db2.gz HQIKUMFZQHRQDI-UHFFFAOYSA-N 0 3 399.451 0.958 20 0 GCADHN O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000516629854 1195078543 /nfs/dbraw/zinc/07/85/43/1195078543.db2.gz ZVBUUITWIOONRT-CVEARBPZSA-N 0 3 377.489 0.136 20 0 GCADHN Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)c1 ZINC000516658318 1195080883 /nfs/dbraw/zinc/08/08/83/1195080883.db2.gz VQNSOTSZLPKOAL-QGZVFWFLSA-N 0 3 394.541 0.657 20 0 GCADHN CCOC(=O)c1cc(F)c(F)cc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516665269 1195083344 /nfs/dbraw/zinc/08/33/44/1195083344.db2.gz XEMPYGFFJWULGP-ZANVPECISA-N 0 3 382.367 0.917 20 0 GCADHN CCN1CCN(Cc2ccccc2CNC(=O)c2cn(CCOC)nn2)CC1 ZINC000414899788 1195086851 /nfs/dbraw/zinc/08/68/51/1195086851.db2.gz VGUDQTXRSBGPLA-UHFFFAOYSA-N 0 3 386.500 0.992 20 0 GCADHN N[C@@H]1C[C@H]2CN(CC(=O)N(Cc3ccccc3)CC(F)(F)F)CCN2C1=O ZINC000516785639 1195095423 /nfs/dbraw/zinc/09/54/23/1195095423.db2.gz QKZTWPZOGXZGOX-LSDHHAIUSA-N 0 3 384.402 0.821 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCNC(=O)c3ccc(Cl)cc3)CCN2C1=O ZINC000516787572 1195096028 /nfs/dbraw/zinc/09/60/28/1195096028.db2.gz ZBEODTIWPIJDHG-ZIAGYGMSSA-N 0 3 379.848 0.023 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)c2cccc(-n3cccn3)c2)n1 ZINC000516792378 1195097899 /nfs/dbraw/zinc/09/78/99/1195097899.db2.gz IEYIJEPIKSKDFY-AWEZNQCLSA-N 0 3 382.472 0.721 20 0 GCADHN C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1nc(Cc2ccccc2)no1 ZINC000516879025 1195108290 /nfs/dbraw/zinc/10/82/90/1195108290.db2.gz HFRVTINYPOKLBG-AEGPPILISA-N 0 3 384.440 0.675 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[C@H]2CCCCO2)CC1 ZINC000516887782 1195109198 /nfs/dbraw/zinc/10/91/98/1195109198.db2.gz ICQZFWPTIRAWOP-SJORKVTESA-N 0 3 394.516 0.217 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[C@@H]2CCCCO2)CC1 ZINC000516887781 1195109271 /nfs/dbraw/zinc/10/92/71/1195109271.db2.gz ICQZFWPTIRAWOP-IRXDYDNUSA-N 0 3 394.516 0.217 20 0 GCADHN C[C@H](O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000506055531 1195113889 /nfs/dbraw/zinc/11/38/89/1195113889.db2.gz FDZCPDMWMUXLDO-FUHWJXTLSA-N 0 3 395.525 0.363 20 0 GCADHN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425814895 1195116190 /nfs/dbraw/zinc/11/61/90/1195116190.db2.gz CIQYKFPYWUVPBW-WMLDXEAASA-N 0 3 387.484 0.678 20 0 GCADHN Cc1c(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c(=O)n(-c2ccccc2)n1C ZINC000425816087 1195116642 /nfs/dbraw/zinc/11/66/42/1195116642.db2.gz UHSXUQGCCIURKU-DOTOQJQBSA-N 0 3 397.479 0.976 20 0 GCADHN CO[C@@H]1C[C@H](NCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C12CCC2 ZINC000516955864 1195117201 /nfs/dbraw/zinc/11/72/01/1195117201.db2.gz HPKULXKRJFFXQA-JKSUJKDBSA-N 0 3 379.482 0.770 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1NS(C)(=O)=O ZINC000425816305 1195119939 /nfs/dbraw/zinc/11/99/39/1195119939.db2.gz GBNFGKWOLSHJBU-XJKSGUPXSA-N 0 3 394.497 0.858 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)ccc1S(C)(=O)=O ZINC000425822751 1195121261 /nfs/dbraw/zinc/12/12/61/1195121261.db2.gz USWAISIZQIQAQL-DZGCQCFKSA-N 0 3 379.482 0.890 20 0 GCADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425823262 1195121419 /nfs/dbraw/zinc/12/14/19/1195121419.db2.gz VOVIBYICRWJOTG-DOTOQJQBSA-N 0 3 387.484 0.718 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)C[C@]2(CCOC2)O1 ZINC000517015933 1195124015 /nfs/dbraw/zinc/12/40/15/1195124015.db2.gz SFABFAUBFRURMF-UWVAXJGDSA-N 0 3 379.501 0.870 20 0 GCADHN CC1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2)CC1 ZINC000517041528 1195128833 /nfs/dbraw/zinc/12/88/33/1195128833.db2.gz BDNIEUQTXXMDKN-ZWKOTPCHSA-N 0 3 399.495 0.632 20 0 GCADHN C[C@@H]1CN(CCCNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@H](C)O1 ZINC000517058235 1195130565 /nfs/dbraw/zinc/13/05/65/1195130565.db2.gz FZELJKSZRKEJKK-BBWFWOEESA-N 0 3 382.549 0.839 20 0 GCADHN O=C(NCc1nnc2n1CCC2)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425867426 1195139785 /nfs/dbraw/zinc/13/97/85/1195139785.db2.gz RRLQGMUEHNNBEN-DLBZAZTESA-N 0 3 394.479 0.573 20 0 GCADHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H](C)N1CCOCC1 ZINC000517136426 1195140682 /nfs/dbraw/zinc/14/06/82/1195140682.db2.gz JZKNHJBHLSQVHO-SJORKVTESA-N 0 3 381.521 0.045 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000517136657 1195140948 /nfs/dbraw/zinc/14/09/48/1195140948.db2.gz PSPHYECHCFMICX-IRXDYDNUSA-N 0 3 383.537 0.291 20 0 GCADHN COc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1S(=O)(=O)N1CCCC1 ZINC000517126601 1195141720 /nfs/dbraw/zinc/14/17/20/1195141720.db2.gz NIJAISNOVGCBPB-AWEZNQCLSA-N 0 3 383.470 0.198 20 0 GCADHN N[C@H]1C[C@@H]2CN(C(=O)c3sccc3NC(=O)c3ccncc3)CCN2C1=O ZINC000517175990 1195147165 /nfs/dbraw/zinc/14/71/65/1195147165.db2.gz KMBKJHLHCFAXKU-OLZOCXBDSA-N 0 3 385.449 0.779 20 0 GCADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000517205063 1195155373 /nfs/dbraw/zinc/15/53/73/1195155373.db2.gz KGFHPUHRSSBKPD-CQSZACIVSA-N 0 3 380.470 0.276 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)n1 ZINC000517221776 1195157331 /nfs/dbraw/zinc/15/73/31/1195157331.db2.gz MIJMCOCJPVMQGD-OAHLLOKOSA-N 0 3 392.529 0.582 20 0 GCADHN O=C(NC[C@H]1CNCCO1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000517224962 1195158052 /nfs/dbraw/zinc/15/80/52/1195158052.db2.gz LTSILKBUAGJLIX-OAHLLOKOSA-N 0 3 377.441 0.751 20 0 GCADHN COc1ccnc(CNC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000425900520 1195158494 /nfs/dbraw/zinc/15/84/94/1195158494.db2.gz QZQLHAQIVFPADY-DLBZAZTESA-N 0 3 395.463 0.834 20 0 GCADHN CCCn1c2ccccc2n(CCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1=O ZINC000517246935 1195162878 /nfs/dbraw/zinc/16/28/78/1195162878.db2.gz DJJAELITQWDVLU-HUUCEWRRSA-N 0 3 385.468 0.374 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000517280862 1195168212 /nfs/dbraw/zinc/16/82/12/1195168212.db2.gz XQRBHGUHZCMWLD-UHFFFAOYSA-N 0 3 376.457 0.789 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)/C=C/c1ccc(Cl)nc1)C2 ZINC001270282159 1195169847 /nfs/dbraw/zinc/16/98/47/1195169847.db2.gz WFTIHHDIDPXSML-GQCTYLIASA-N 0 3 378.860 0.750 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC([C@@H](O)C(=O)OC)CC2)CC1 ZINC000437972255 1195177412 /nfs/dbraw/zinc/17/74/12/1195177412.db2.gz AWJZNZXFKLDUBZ-DOTOQJQBSA-N 0 3 384.521 0.216 20 0 GCADHN COCCN1CC[C@H](NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000517404113 1195177893 /nfs/dbraw/zinc/17/78/93/1195177893.db2.gz KCEZKAJLDYNHIK-LBPRGKRZSA-N 0 3 391.440 0.470 20 0 GCADHN COc1ccc([C@H]2CCCN2C(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)c(OC)c1 ZINC000517387749 1195177965 /nfs/dbraw/zinc/17/79/65/1195177965.db2.gz NLEZRSGKEFISMC-SQNIBIBYSA-N 0 3 377.485 0.974 20 0 GCADHN O=C([C@H]1CN2CCN1CCC2)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000438007630 1195179673 /nfs/dbraw/zinc/17/96/73/1195179673.db2.gz BSOHUOXOSARLRE-QRVBRYPASA-N 0 3 396.491 0.553 20 0 GCADHN CN1CCN([C@H](C(=O)NCCCN2CCC[C@H]2C(N)=O)c2ccccc2)CC1 ZINC000517407249 1195180045 /nfs/dbraw/zinc/18/00/45/1195180045.db2.gz SMZVJMAQSIXRTR-OALUTQOASA-N 0 3 387.528 0.431 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000517478868 1195186244 /nfs/dbraw/zinc/18/62/44/1195186244.db2.gz GPWDHTTXLBSLEH-INIZCTEOSA-N 0 3 383.518 0.242 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)Cc3nccnc3Cl)C2)OCC1=O ZINC001270312790 1195191702 /nfs/dbraw/zinc/19/17/02/1195191702.db2.gz TWPLITFLVFZIBK-KRWDZBQOSA-N 0 3 381.864 0.064 20 0 GCADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)Cc3nccnc3Cl)C[C@@]2(F)C1=O ZINC001270312785 1195191847 /nfs/dbraw/zinc/19/18/47/1195191847.db2.gz TTYYUUFLMUDSSQ-HZPDHXFCSA-N 0 3 387.818 0.335 20 0 GCADHN C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@]2(CCCOC2)O1 ZINC000517649039 1195204163 /nfs/dbraw/zinc/20/41/63/1195204163.db2.gz WRNIDUNZGKZKOU-MBOZVWFJSA-N 0 3 396.532 0.909 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438334295 1195206436 /nfs/dbraw/zinc/20/64/36/1195206436.db2.gz YTBGFOMXSWCELL-QGZVFWFLSA-N 0 3 394.520 0.790 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000517685853 1195207757 /nfs/dbraw/zinc/20/77/57/1195207757.db2.gz JZXLSTNTLFNSKB-CALCHBBNSA-N 0 3 378.517 0.648 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000517706073 1195209147 /nfs/dbraw/zinc/20/91/47/1195209147.db2.gz WWURYRLKVDTECH-IXDOHACOSA-N 0 3 376.501 0.543 20 0 GCADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)c2ccccc2O1 ZINC000517727495 1195210041 /nfs/dbraw/zinc/21/00/41/1195210041.db2.gz ARNNSBNANIGWSK-PBHICJAKSA-N 0 3 389.452 0.802 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)C[C@@H](C)S1(=O)=O ZINC000517741886 1195211834 /nfs/dbraw/zinc/21/18/34/1195211834.db2.gz HVTAHSCVTSKGNO-XJKCOSOUSA-N 0 3 379.482 0.105 20 0 GCADHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncnc2c1nnn2Cc1ccccc1 ZINC000894354662 1195212862 /nfs/dbraw/zinc/21/28/62/1195212862.db2.gz WVNGTVXAJZNNOG-CQSZACIVSA-N 0 3 380.456 0.826 20 0 GCADHN CCN1C(=O)CC[C@H](C(=O)NC[C@@]2(O)CN3CCC2CC3)[C@@H]1c1cnn(C)c1 ZINC000517757043 1195213676 /nfs/dbraw/zinc/21/36/76/1195213676.db2.gz OORHLEMGIJNLNV-XKGZKEIXSA-N 0 3 389.500 0.293 20 0 GCADHN CC(=O)N1CCN(CCOc2ccc(CCNCc3ncnn3C)cc2)CC1 ZINC000638507375 1195213865 /nfs/dbraw/zinc/21/38/65/1195213865.db2.gz DRHYLDIYTDMTEC-UHFFFAOYSA-N 0 3 386.500 0.690 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000438444872 1195218649 /nfs/dbraw/zinc/21/86/49/1195218649.db2.gz KGAOBINGYFOTTR-MRXNPFEDSA-N 0 3 381.498 0.813 20 0 GCADHN C[C@@H]1NC(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)=NN(c2ccccc2)C1=O ZINC000729430920 1195222868 /nfs/dbraw/zinc/22/28/68/1195222868.db2.gz ABIVYCCNDIAQSZ-RDJZCZTQSA-N 0 3 387.484 0.894 20 0 GCADHN CS(=O)(=O)NCCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000518024821 1195238353 /nfs/dbraw/zinc/23/83/53/1195238353.db2.gz DNOMIOXMAQFZNQ-UHFFFAOYSA-N 0 3 382.486 0.262 20 0 GCADHN Cc1nc(C(=O)NCCN2CCCOCC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000438692319 1195239009 /nfs/dbraw/zinc/23/90/09/1195239009.db2.gz KZHDACOQFDQYHI-UHFFFAOYSA-N 0 3 388.354 0.165 20 0 GCADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cnn2c1OCCC2 ZINC000518022697 1195239292 /nfs/dbraw/zinc/23/92/92/1195239292.db2.gz JNYIKCLRWDGFJV-OAHLLOKOSA-N 0 3 385.534 0.702 20 0 GCADHN COC(=O)C1CCN(C(=O)[C@H](C)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426123516 1195241831 /nfs/dbraw/zinc/24/18/31/1195241831.db2.gz NSULHEBTWPPQSB-AAEUAGOBSA-N 0 3 393.406 0.787 20 0 GCADHN COC(=O)C1CCN(C(=O)CN2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426129556 1195244798 /nfs/dbraw/zinc/24/47/98/1195244798.db2.gz VGBBUSXOYLJXCJ-LBPRGKRZSA-N 0 3 379.379 0.398 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2nnc3n2CCC3)CC1 ZINC000518126005 1195250480 /nfs/dbraw/zinc/25/04/80/1195250480.db2.gz YPKKUKPAPBZEPS-AWEZNQCLSA-N 0 3 377.493 0.481 20 0 GCADHN CCCc1cnc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000426160771 1195252159 /nfs/dbraw/zinc/25/21/59/1195252159.db2.gz KROGTNGUSOLQNT-UHFFFAOYSA-N 0 3 393.513 0.801 20 0 GCADHN COC(=O)CCN1CC[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1=O ZINC000426192697 1195260167 /nfs/dbraw/zinc/26/01/67/1195260167.db2.gz QVTTZZOKAIADKE-HOCLYGCPSA-N 0 3 396.488 0.045 20 0 GCADHN COc1cc(NC(=O)C(=O)N(C)C2CCN(CCc3ccccn3)CC2)ncn1 ZINC000438857429 1195260595 /nfs/dbraw/zinc/26/05/95/1195260595.db2.gz MIQJVLIVLWJTQY-UHFFFAOYSA-N 0 3 398.467 0.984 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)C(F)(F)C(F)(F)Cl)C2)OCC1=O ZINC001270404532 1195261435 /nfs/dbraw/zinc/26/14/35/1195261435.db2.gz GGBRMIGVJWVOTD-GFCCVEGCSA-N 0 3 389.777 0.845 20 0 GCADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@@H]1O ZINC000664729439 1195264852 /nfs/dbraw/zinc/26/48/52/1195264852.db2.gz JEUKZIRGVHBETQ-ULQDDVLXSA-N 0 3 396.438 0.772 20 0 GCADHN N[C@@H]1C[C@H]2CN(C(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)CCN2C1=O ZINC000518218593 1195266939 /nfs/dbraw/zinc/26/69/39/1195266939.db2.gz OMIRAJGNKVRBBO-GXTWGEPZSA-N 0 3 390.419 0.521 20 0 GCADHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000518217395 1195268463 /nfs/dbraw/zinc/26/84/63/1195268463.db2.gz QWAHDVOBBMUFHS-AUUYWEPGSA-N 0 3 393.440 0.207 20 0 GCADHN O=C(CN1CCN(C(=O)CN2CCC[C@H]2CCO)CC1)Nc1ccc(F)cc1 ZINC000426229992 1195268750 /nfs/dbraw/zinc/26/87/50/1195268750.db2.gz JQHMAPHYSZQYAT-SFHVURJKSA-N 0 3 392.475 0.755 20 0 GCADHN O=C(Cc1cccc(Cl)c1)N1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000518346133 1195282739 /nfs/dbraw/zinc/28/27/39/1195282739.db2.gz RQHDDWQKHBBRIH-MRXNPFEDSA-N 0 3 380.876 0.725 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCN3)CC1 ZINC000414979208 1195285331 /nfs/dbraw/zinc/28/53/31/1195285331.db2.gz UEOVRMXOLWOVTG-GOSISDBHSA-N 0 3 399.495 0.748 20 0 GCADHN O=C(Cn1cccnc1=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000518422148 1195290012 /nfs/dbraw/zinc/29/00/12/1195290012.db2.gz LDYYXBIFSPHMIW-UHFFFAOYSA-N 0 3 383.452 0.385 20 0 GCADHN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000439208160 1195294908 /nfs/dbraw/zinc/29/49/08/1195294908.db2.gz WJTCDKIPXGJHDO-UHFFFAOYSA-N 0 3 376.457 0.646 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCNC(=O)[C@@H]3C)c(C)c2)CC1 ZINC000439199709 1195295744 /nfs/dbraw/zinc/29/57/44/1195295744.db2.gz MYZGYLQWTBHMTQ-HNNXBMFYSA-N 0 3 387.484 0.422 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1S(=O)(=O)N(C)C ZINC000439200734 1195295970 /nfs/dbraw/zinc/29/59/70/1195295970.db2.gz QVUFKMQXGNMMFW-UHFFFAOYSA-N 0 3 396.513 0.738 20 0 GCADHN C[C@@H]1CN(C[C@@H](O)CN2CCCN(CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000518511716 1195298824 /nfs/dbraw/zinc/29/88/24/1195298824.db2.gz XONVEQYUGCWYFZ-OTWHNJEPSA-N 0 3 382.549 0.087 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3cc4c(cc3OC(F)F)OCO4)CCN2C1=O ZINC000518565881 1195302612 /nfs/dbraw/zinc/30/26/12/1195302612.db2.gz QTQXFROXRKOMNX-GHMZBOCLSA-N 0 3 398.366 0.470 20 0 GCADHN CO[C@H](CNCc1ccccc1S(=O)(=O)N1CCN(C)CC1)[C@H]1CCOC1 ZINC000638606220 1195303635 /nfs/dbraw/zinc/30/36/35/1195303635.db2.gz WVGDYEDODOFJLG-ZWKOTPCHSA-N 0 3 397.541 0.764 20 0 GCADHN Cc1nc(CN2C(=O)COCC23CN(C(=O)[C@H](C)N2CCCC2)C3)cs1 ZINC001270490686 1195321327 /nfs/dbraw/zinc/32/13/27/1195321327.db2.gz QHIFWSTYQWMJIO-ZDUSSCGKSA-N 0 3 378.498 0.876 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCOCC2CCCC2)CC1 ZINC000518731573 1195325937 /nfs/dbraw/zinc/32/59/37/1195325937.db2.gz VOIOEVBSKDCQFC-QGZVFWFLSA-N 0 3 387.546 0.761 20 0 GCADHN Cc1cc(NC(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)nn1C ZINC000439500398 1195327362 /nfs/dbraw/zinc/32/73/62/1195327362.db2.gz XIYMYSQZBYOLIA-SFHVURJKSA-N 0 3 398.511 1.162 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000518771120 1195328635 /nfs/dbraw/zinc/32/86/35/1195328635.db2.gz JGEIJARWUIKKRN-YESZJQIVSA-N 0 3 376.501 0.543 20 0 GCADHN CC(C)NS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000664758442 1195330445 /nfs/dbraw/zinc/33/04/45/1195330445.db2.gz JQNGPPCMEBLZDS-INIZCTEOSA-N 0 3 387.550 0.573 20 0 GCADHN COCCC(=O)N1CCC(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000426427670 1195331993 /nfs/dbraw/zinc/33/19/93/1195331993.db2.gz OXIXYRLYHKTVKV-QGZVFWFLSA-N 0 3 384.521 0.766 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000518802855 1195333244 /nfs/dbraw/zinc/33/32/44/1195333244.db2.gz WIVDGXXYCWRLNM-CABCVRRESA-N 0 3 377.464 0.906 20 0 GCADHN CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000506626175 1195333976 /nfs/dbraw/zinc/33/39/76/1195333976.db2.gz RIZUALPMOZDJDH-KRWDZBQOSA-N 0 3 388.468 0.744 20 0 GCADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2scnc2c1 ZINC000439626701 1195338881 /nfs/dbraw/zinc/33/88/81/1195338881.db2.gz YFHUDSHGAACUQX-UHFFFAOYSA-N 0 3 380.470 0.634 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cnn([C@@H](C)C2CC2)c1)CN1CCN(C)CC1 ZINC000426499392 1195355829 /nfs/dbraw/zinc/35/58/29/1195355829.db2.gz QSXKCZLQKXDRTP-GJZGRUSLSA-N 0 3 376.505 0.792 20 0 GCADHN CNS(=O)(=O)NC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000298038477 1195356113 /nfs/dbraw/zinc/35/61/13/1195356113.db2.gz RMHWOUZWKBINDN-PBHICJAKSA-N 0 3 397.545 0.906 20 0 GCADHN CN1CCN(CCCCNC(=O)N2CCN(Cc3cscn3)CC2)CC1 ZINC000519058979 1195364455 /nfs/dbraw/zinc/36/44/55/1195364455.db2.gz VMQSNEJETCTNNK-UHFFFAOYSA-N 0 3 380.562 0.998 20 0 GCADHN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)[C@H]1CCCN1C1CCCC1 ZINC000439974922 1195371276 /nfs/dbraw/zinc/37/12/76/1195371276.db2.gz YOFCQWLTHMNYCQ-DLBZAZTESA-N 0 3 387.546 0.998 20 0 GCADHN CCNC(=O)NC1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCC1 ZINC000519135298 1195373388 /nfs/dbraw/zinc/37/33/88/1195373388.db2.gz YZSBUIGOYDFASK-HNNXBMFYSA-N 0 3 381.521 0.677 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000664785196 1195381910 /nfs/dbraw/zinc/38/19/10/1195381910.db2.gz QDQMLTJVCXWIPX-AWEZNQCLSA-N 0 3 398.533 0.546 20 0 GCADHN Cc1cnc(CNC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)s1 ZINC000519213837 1195382341 /nfs/dbraw/zinc/38/23/41/1195382341.db2.gz XFCMZIWUEMYVRC-HNNXBMFYSA-N 0 3 379.530 0.695 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000440239583 1195395904 /nfs/dbraw/zinc/39/59/04/1195395904.db2.gz DBWRVHVEOWNBFC-RBUKOAKNSA-N 0 3 382.549 0.835 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@]1(C)CCCO ZINC000519367618 1195396417 /nfs/dbraw/zinc/39/64/17/1195396417.db2.gz NMXTZGVOXXMDNN-JXFKEZNVSA-N 0 3 396.532 0.199 20 0 GCADHN COC(=O)c1c(C)cccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000440266149 1195398466 /nfs/dbraw/zinc/39/84/66/1195398466.db2.gz NGIJJQCJMHHDCH-UHFFFAOYSA-N 0 3 390.484 0.816 20 0 GCADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 ZINC000519419183 1195404915 /nfs/dbraw/zinc/40/49/15/1195404915.db2.gz GQFGDAUJENJYPU-GJZGRUSLSA-N 0 3 385.468 0.547 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)NCc1ccc(C(N)=O)nc1)Cc1ccccc1 ZINC000550033559 1195416206 /nfs/dbraw/zinc/41/62/06/1195416206.db2.gz DWJBRBLPOIFMDQ-INIZCTEOSA-N 0 3 383.452 0.086 20 0 GCADHN COC[C@@H]1CN(C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H](C)O1 ZINC000550034926 1195416552 /nfs/dbraw/zinc/41/65/52/1195416552.db2.gz OHJHJQIQMBLEHC-NJAFHUGGSA-N 0 3 377.485 0.538 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000119648548 1195427886 /nfs/dbraw/zinc/42/78/86/1195427886.db2.gz OAHXWOXQFGJIAT-WMZOPIPTSA-N 0 3 376.501 0.762 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000519549520 1195429227 /nfs/dbraw/zinc/42/92/27/1195429227.db2.gz KYBNQCBBUOUUIC-HOCLYGCPSA-N 0 3 394.497 0.005 20 0 GCADHN CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000519549512 1195429236 /nfs/dbraw/zinc/42/92/36/1195429236.db2.gz KYBNQCBBUOUUIC-GOEBONIOSA-N 0 3 394.497 0.005 20 0 GCADHN C[C@@H](CS(C)(=O)=O)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000473672117 1195436728 /nfs/dbraw/zinc/43/67/28/1195436728.db2.gz ZWTJEFOUFYPFCK-HNNXBMFYSA-N 0 3 395.525 0.809 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000473700970 1195443435 /nfs/dbraw/zinc/44/34/35/1195443435.db2.gz SKSAJKFEFPECHB-CQSZACIVSA-N 0 3 377.493 0.309 20 0 GCADHN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000120756703 1195445880 /nfs/dbraw/zinc/44/58/80/1195445880.db2.gz IAOVLYUGWFMNPH-GJZGRUSLSA-N 0 3 389.504 0.623 20 0 GCADHN CCOC(=O)Cn1cc(CN2CCC(CO)(OC)CC2)c(-c2cnn(C)c2)n1 ZINC000894578485 1195446534 /nfs/dbraw/zinc/44/65/34/1195446534.db2.gz LNIMPJWCMPBKLE-UHFFFAOYSA-N 0 3 391.472 0.820 20 0 GCADHN CC(C)C(=O)N1CCC(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000101697500 1195455622 /nfs/dbraw/zinc/45/56/22/1195455622.db2.gz MSCQCSRIBCTNCX-QGZVFWFLSA-N 0 3 380.533 0.940 20 0 GCADHN Cc1nnc(CN(C)CC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)n1C ZINC000121704175 1195459926 /nfs/dbraw/zinc/45/99/26/1195459926.db2.gz WDHOKICLRYUCNB-IYBDPMFKSA-N 0 3 392.548 0.903 20 0 GCADHN Cc1nnc(CN(C)CC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)n1C ZINC000121704353 1195459992 /nfs/dbraw/zinc/45/99/92/1195459992.db2.gz WDHOKICLRYUCNB-HZPDHXFCSA-N 0 3 392.548 0.903 20 0 GCADHN CN(C)[C@H](CNC(=O)NC1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000049794969 1195461344 /nfs/dbraw/zinc/46/13/44/1195461344.db2.gz LUDIQMKXOIYQOX-KRWDZBQOSA-N 0 3 382.530 0.883 20 0 GCADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000617419866 1195464408 /nfs/dbraw/zinc/46/44/08/1195464408.db2.gz LMACJMSHVXJVDW-KSZLIROESA-N 0 3 382.464 0.020 20 0 GCADHN CCC1(N2CCOCC2)CCN(c2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000894811015 1195474622 /nfs/dbraw/zinc/47/46/22/1195474622.db2.gz KNESGFOPBWJXIL-UHFFFAOYSA-N 0 3 376.461 0.042 20 0 GCADHN CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)N1CCOCC1 ZINC000550275738 1195475067 /nfs/dbraw/zinc/47/50/67/1195475067.db2.gz DGIVUPUYSVDCOI-IRXDYDNUSA-N 0 3 382.549 0.696 20 0 GCADHN CCc1nc(C)c(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)s1 ZINC000426706800 1195478565 /nfs/dbraw/zinc/47/85/65/1195478565.db2.gz XDHGRMWIIXSIAK-UHFFFAOYSA-N 0 3 395.529 0.965 20 0 GCADHN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NC[C@H]2CNCCO2)cc1 ZINC000415217000 1195481342 /nfs/dbraw/zinc/48/13/42/1195481342.db2.gz SYUWNILALUCJEM-IUODEOHRSA-N 0 3 378.429 0.478 20 0 GCADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000366719968 1195483936 /nfs/dbraw/zinc/48/39/36/1195483936.db2.gz NWXSYBKLDZRJNY-CQSZACIVSA-N 0 3 382.486 0.145 20 0 GCADHN O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CNC(=O)C1 ZINC000440483606 1195485791 /nfs/dbraw/zinc/48/57/91/1195485791.db2.gz YXTMUXXEYPSNFU-HZPDHXFCSA-N 0 3 396.451 0.273 20 0 GCADHN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000519590399 1195498470 /nfs/dbraw/zinc/49/84/70/1195498470.db2.gz ATSWCAZQDMARDG-VDNDLQMASA-N 0 3 383.489 0.586 20 0 GCADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC000507164039 1195499433 /nfs/dbraw/zinc/49/94/33/1195499433.db2.gz IIIBWXFVYGDHSR-HNNXBMFYSA-N 0 3 381.498 0.870 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)CC1 ZINC000427035645 1195502887 /nfs/dbraw/zinc/50/28/87/1195502887.db2.gz OACYFYKYSVTJBQ-UHFFFAOYSA-N 0 3 386.452 0.704 20 0 GCADHN C[C@H](C1CC1)n1cc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cn1 ZINC000427086447 1195505738 /nfs/dbraw/zinc/50/57/38/1195505738.db2.gz UOIOHEKXDUHDFJ-LSDHHAIUSA-N 0 3 376.505 0.935 20 0 GCADHN COC1(C)CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000440495128 1195513877 /nfs/dbraw/zinc/51/38/77/1195513877.db2.gz OMBUCTCEFWEFPY-UHFFFAOYSA-N 0 3 376.413 0.342 20 0 GCADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(F)c(OC(F)F)cc1F ZINC000427273619 1195522821 /nfs/dbraw/zinc/52/28/21/1195522821.db2.gz JDFXBUKXDBHMKV-UHFFFAOYSA-N 0 3 381.326 0.935 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000427314191 1195527262 /nfs/dbraw/zinc/52/72/62/1195527262.db2.gz IKCAKIARIRKDDJ-OAHLLOKOSA-N 0 3 399.495 0.619 20 0 GCADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCC(C(=O)NCCCO)CC1 ZINC000427465698 1195542582 /nfs/dbraw/zinc/54/25/82/1195542582.db2.gz ITEMIODVFWSHDO-UHFFFAOYSA-N 0 3 381.517 0.759 20 0 GCADHN CCN1CCN(CCNC(=O)C2CCN(C(=O)[C@H](C)CSC)CC2)CC1 ZINC000507663697 1195545917 /nfs/dbraw/zinc/54/59/17/1195545917.db2.gz OJLHHIJGHVQSPC-MRXNPFEDSA-N 0 3 384.590 0.978 20 0 GCADHN Cc1csc(-c2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2)n1 ZINC000519616334 1195547612 /nfs/dbraw/zinc/54/76/12/1195547612.db2.gz NWZOKCXBVIPDJP-LSDHHAIUSA-N 0 3 399.476 0.827 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000507703862 1195548918 /nfs/dbraw/zinc/54/89/18/1195548918.db2.gz UEQHFHCUPYOFDL-UHFFFAOYSA-N 0 3 389.500 0.498 20 0 GCADHN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(C(=O)CN(CC)CC)CC1 ZINC000507724708 1195550536 /nfs/dbraw/zinc/55/05/36/1195550536.db2.gz LEVJANXOKFBSEM-QGZVFWFLSA-N 0 3 396.532 0.417 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2Cl)CC1 ZINC000550295010 1195550830 /nfs/dbraw/zinc/55/08/30/1195550830.db2.gz KYPWKTLNUAOXRJ-UHFFFAOYSA-N 0 3 394.903 0.969 20 0 GCADHN O=S1(=O)C[C@@H](NCCCc2ccc3c(c2)CCO3)[C@H](N2CCOCC2)C1 ZINC000280785910 1195550958 /nfs/dbraw/zinc/55/09/58/1195550958.db2.gz HDFQSPCGRDAHRJ-QZTJIDSGSA-N 0 3 380.510 0.642 20 0 GCADHN C[C@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883775 1195551404 /nfs/dbraw/zinc/55/14/04/1195551404.db2.gz MUPDWNFYGLLBMW-DUQJVZAFSA-N 0 3 395.548 0.478 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000664937959 1195557840 /nfs/dbraw/zinc/55/78/40/1195557840.db2.gz DBNVUSUCNCHKJV-AWEZNQCLSA-N 0 3 393.463 0.592 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC000519633580 1195560102 /nfs/dbraw/zinc/56/01/02/1195560102.db2.gz JILAOABPKFXBFZ-YESZJQIVSA-N 0 3 396.532 0.367 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000519675868 1195562559 /nfs/dbraw/zinc/56/25/59/1195562559.db2.gz YWUYMYQMTKYKIK-NVXWUHKLSA-N 0 3 393.532 0.787 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000519675868 1195562560 /nfs/dbraw/zinc/56/25/60/1195562560.db2.gz YWUYMYQMTKYKIK-NVXWUHKLSA-N 0 3 393.532 0.787 20 0 GCADHN CC(C)c1cc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n(-c2ncccn2)n1 ZINC000519832925 1195574574 /nfs/dbraw/zinc/57/45/74/1195574574.db2.gz LPMQXCXRFZBWQA-CHWSQXEVSA-N 0 3 384.444 0.561 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccnc(OC4CCOCC4)c3)CCN2C1=O ZINC000519835910 1195575047 /nfs/dbraw/zinc/57/50/47/1195575047.db2.gz ZDQZHYNEMRXLDI-GDBMZVCRSA-N 0 3 389.456 0.093 20 0 GCADHN COc1cc(OC)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Cl ZINC000519834865 1195575294 /nfs/dbraw/zinc/57/52/94/1195575294.db2.gz VLKYSPXXUGVLHE-KOLCDFICSA-N 0 3 396.831 0.066 20 0 GCADHN NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000519821358 1195576046 /nfs/dbraw/zinc/57/60/46/1195576046.db2.gz DBAUZNJISVEQEN-WBVHZDCISA-N 0 3 380.876 0.389 20 0 GCADHN CN(C)CCN1C(=O)COCC12CN(C(=O)[C@@]1(F)CCCCC1(F)F)C2 ZINC001270817143 1195580904 /nfs/dbraw/zinc/58/09/04/1195580904.db2.gz VBPHKTXASHVOSY-INIZCTEOSA-N 0 3 377.407 0.905 20 0 GCADHN Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415863640 1195581602 /nfs/dbraw/zinc/58/16/02/1195581602.db2.gz LSGJPPZEDYGDDX-OAHLLOKOSA-N 0 3 378.498 0.591 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2C[C@@H](C(=O)NCCOC)CC[C@H]2C)C1 ZINC000519987624 1195587873 /nfs/dbraw/zinc/58/78/73/1195587873.db2.gz JJRAWVSEBGWKLV-IXDOHACOSA-N 0 3 397.516 0.651 20 0 GCADHN CN1CCN(CCNC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000441026833 1195598295 /nfs/dbraw/zinc/59/82/95/1195598295.db2.gz HQJKDNXDNZRILL-UHFFFAOYSA-N 0 3 397.545 0.202 20 0 GCADHN CCCCn1c(N)c(N(CC)C(=O)CNC2(CO)CCCC2)c(=O)[nH]c1=O ZINC000441047146 1195599409 /nfs/dbraw/zinc/59/94/09/1195599409.db2.gz OVQYHWQZFYGKRN-UHFFFAOYSA-N 0 3 381.477 0.579 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)CCNC(=O)c2[nH]nc3ccccc32)CC1 ZINC000112403762 1195613112 /nfs/dbraw/zinc/61/31/12/1195613112.db2.gz FIHQNFYYWQXVOX-OAHLLOKOSA-N 0 3 386.500 0.825 20 0 GCADHN COC(=O)[C@@H](O)C1CCN(C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000441240196 1195613758 /nfs/dbraw/zinc/61/37/58/1195613758.db2.gz AOFCRCQSXFJKPP-AEFFLSMTSA-N 0 3 380.441 0.631 20 0 GCADHN COC(=O)[C@H](O)C1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000441230051 1195614883 /nfs/dbraw/zinc/61/48/83/1195614883.db2.gz JDRJPSTYURMGMY-JKSUJKDBSA-N 0 3 391.424 0.110 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000441284485 1195618476 /nfs/dbraw/zinc/61/84/76/1195618476.db2.gz KFBZFUUJYDOBLO-IKGGRYGDSA-N 0 3 395.548 0.480 20 0 GCADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000441284490 1195618746 /nfs/dbraw/zinc/61/87/46/1195618746.db2.gz KFBZFUUJYDOBLO-YESZJQIVSA-N 0 3 395.548 0.480 20 0 GCADHN COCC[C@@]1(NCC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)CCOC1 ZINC000520332207 1195621499 /nfs/dbraw/zinc/62/14/99/1195621499.db2.gz IACHVNAPGLKZNL-FXAWDEMLSA-N 0 3 376.453 0.898 20 0 GCADHN CN1CCN(CCCCNC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1 ZINC000520379861 1195628344 /nfs/dbraw/zinc/62/83/44/1195628344.db2.gz RSHYOLXCIZAETC-UHFFFAOYSA-N 0 3 384.484 0.729 20 0 GCADHN C[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)N(C)Cc1ccccc1 ZINC000520393459 1195629634 /nfs/dbraw/zinc/62/96/34/1195629634.db2.gz KHMPQRTVPPCWDT-AWEZNQCLSA-N 0 3 397.479 0.826 20 0 GCADHN CN1C(=O)NCC12CCN(C[C@H](O)Cn1c(=O)onc1-c1ccccc1)CC2 ZINC000520400070 1195630190 /nfs/dbraw/zinc/63/01/90/1195630190.db2.gz XQZBALCCRLVHFC-HNNXBMFYSA-N 0 3 387.440 0.354 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](c2ccccc2Cl)N(C)C)n1 ZINC000550334617 1195635985 /nfs/dbraw/zinc/63/59/85/1195635985.db2.gz RKXUPBNIMPVOKP-OAHLLOKOSA-N 0 3 393.923 0.730 20 0 GCADHN CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)N1CCOCC1 ZINC000550345958 1195639385 /nfs/dbraw/zinc/63/93/85/1195639385.db2.gz NIDKMXJPNMZKKY-SNRMKQJTSA-N 0 3 394.560 0.839 20 0 GCADHN CC(C)(CNC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)N1CCCCC1 ZINC000550348956 1195640772 /nfs/dbraw/zinc/64/07/72/1195640772.db2.gz NENNZZHUCFJQAF-ZDUSSCGKSA-N 0 3 397.438 0.501 20 0 GCADHN CCN1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000112917850 1195645578 /nfs/dbraw/zinc/64/55/78/1195645578.db2.gz DITWWDDJOFZZLO-UHFFFAOYSA-N 0 3 396.557 0.726 20 0 GCADHN CCN1CCN(CCNC(=O)CCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000112917830 1195645620 /nfs/dbraw/zinc/64/56/20/1195645620.db2.gz IDNRNIYVPMOZRI-UHFFFAOYSA-N 0 3 376.501 0.959 20 0 GCADHN COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21)N(C)C ZINC000550367679 1195646690 /nfs/dbraw/zinc/64/66/90/1195646690.db2.gz HQGMEFKEMVVSKU-NJAFHUGGSA-N 0 3 388.512 0.967 20 0 GCADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccnc(OC(C)C)c2)CC1=O ZINC000425312877 1195650567 /nfs/dbraw/zinc/65/05/67/1195650567.db2.gz HOAUJSKUXODFNP-INIZCTEOSA-N 0 3 378.473 0.778 20 0 GCADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@H]1COCCO1 ZINC001709143391 1195656332 /nfs/dbraw/zinc/65/63/32/1195656332.db2.gz HCFOHCPJNWDSMG-NVXWUHKLSA-N 0 3 379.505 0.945 20 0 GCADHN O=C([C@H]1CN2CCN1CCC2)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000328895606 1195675306 /nfs/dbraw/zinc/67/53/06/1195675306.db2.gz BMLARTPXBQYWJU-VQTJNVASSA-N 0 3 397.523 0.326 20 0 GCADHN Cn1nccc1[C@@H]1OCC[C@H]1CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000328897355 1195675352 /nfs/dbraw/zinc/67/53/52/1195675352.db2.gz CPLKVQHLPPCZCF-LZLYRXPVSA-N 0 3 398.529 0.624 20 0 GCADHN O=c1onc(-c2ccccc2)n1C[C@@H](O)CN1CCC[C@H]1CN1CCOCC1 ZINC000441429715 1195675990 /nfs/dbraw/zinc/67/59/90/1195675990.db2.gz OQZJFNBWDPXFHY-ROUUACIJSA-N 0 3 388.468 0.661 20 0 GCADHN CS[C@H]1CN(C(=O)[C@H]2COCC(=O)N2Cc2ccccc2)C[C@H]1N(C)C ZINC000328991092 1195684641 /nfs/dbraw/zinc/68/46/41/1195684641.db2.gz DDKIOPVBBQMMKX-ZACQAIPSSA-N 0 3 377.510 0.918 20 0 GCADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000330399989 1195687271 /nfs/dbraw/zinc/68/72/71/1195687271.db2.gz DKSNIAKFOWVSCN-INIZCTEOSA-N 0 3 388.578 0.723 20 0 GCADHN CN(C)S(=O)(=O)c1cc(C(=O)NCCN2CCN(C)C(C)(C)C2)n(C)c1 ZINC000330416382 1195687689 /nfs/dbraw/zinc/68/76/89/1195687689.db2.gz OBEPKSOBKDONGR-UHFFFAOYSA-N 0 3 385.534 0.031 20 0 GCADHN CC[C@@H](CNS(C)(=O)=O)NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000664999802 1195691809 /nfs/dbraw/zinc/69/18/09/1195691809.db2.gz WREHWDRXKCMYDZ-KRWDZBQOSA-N 0 3 397.545 0.921 20 0 GCADHN CCC1(CC)NC(=O)N(CC(=O)NCCCN2CCC(C(=O)OC)CC2)C1=O ZINC000536313099 1195704429 /nfs/dbraw/zinc/70/44/29/1195704429.db2.gz INJQRXSSAWDZIR-UHFFFAOYSA-N 0 3 396.488 0.488 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000330733009 1195707490 /nfs/dbraw/zinc/70/74/90/1195707490.db2.gz KFFMGSHIUSRUAQ-HNNXBMFYSA-N 0 3 382.530 0.693 20 0 GCADHN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@@H](CN(C)C)C2)cc1C ZINC000330816833 1195709179 /nfs/dbraw/zinc/70/91/79/1195709179.db2.gz OWSMSLFZCJGNES-INIZCTEOSA-N 0 3 383.514 0.713 20 0 GCADHN CC(C)N1CCN(c2ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc2)CC1 ZINC000330818826 1195709202 /nfs/dbraw/zinc/70/92/02/1195709202.db2.gz PLMCMKKWBZIFDB-UHFFFAOYSA-N 0 3 397.545 0.343 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCNS(=O)(=O)N(C)C ZINC000665015300 1195719751 /nfs/dbraw/zinc/71/97/51/1195719751.db2.gz WYUABUNJNMATHV-INIZCTEOSA-N 0 3 397.545 0.688 20 0 GCADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCNS(=O)(=O)N(C)C ZINC000665016283 1195721870 /nfs/dbraw/zinc/72/18/70/1195721870.db2.gz CZTLUPMIAFVMIM-UHFFFAOYSA-N 0 3 389.497 0.295 20 0 GCADHN CC(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000331193311 1195723576 /nfs/dbraw/zinc/72/35/76/1195723576.db2.gz MHBREZLEEWYJJF-UHFFFAOYSA-N 0 3 382.530 0.579 20 0 GCADHN CN(C)S(=O)(=O)NCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000665018484 1195724205 /nfs/dbraw/zinc/72/42/05/1195724205.db2.gz SHRBSAUGJDTYMV-UHFFFAOYSA-N 0 3 387.506 0.281 20 0 GCADHN CN1CCC(NC(=O)c2nnc3n2CCN(C(=O)/C=C/Br)C3)CC1 ZINC001270859608 1195730380 /nfs/dbraw/zinc/73/03/80/1195730380.db2.gz XXJDKXABIIJEAE-GORDUTHDSA-N 0 3 397.277 0.353 20 0 GCADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccccc2Cn2cncn2)CC1 ZINC000608123688 1195731891 /nfs/dbraw/zinc/73/18/91/1195731891.db2.gz PWLPGUKAMXBHMS-GOSISDBHSA-N 0 3 382.468 0.881 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CC(=O)NCCOc2cccc(C)c2)CC1 ZINC000507750237 1195732674 /nfs/dbraw/zinc/73/26/74/1195732674.db2.gz WDRWPNVRTSIQDX-UHFFFAOYSA-N 0 3 390.528 0.976 20 0 GCADHN CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H](CC)CNS(C)(=O)=O ZINC000458953943 1195733178 /nfs/dbraw/zinc/73/31/78/1195733178.db2.gz JSSYFFXXTGIQJE-INIZCTEOSA-N 0 3 391.582 0.373 20 0 GCADHN COc1ccc(C(=O)NCC(=O)N[C@H](C)C(=O)NCCN2CCCCC2)cc1 ZINC000520458840 1195738062 /nfs/dbraw/zinc/73/80/62/1195738062.db2.gz CVQYLXXENPBHBV-OAHLLOKOSA-N 0 3 390.484 0.532 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000729495719 1195742981 /nfs/dbraw/zinc/74/29/81/1195742981.db2.gz HKRWSNDFWQFXJX-JKSUJKDBSA-N 0 3 396.513 0.436 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000729497312 1195744695 /nfs/dbraw/zinc/74/46/95/1195744695.db2.gz RKUDXWSELKWYEW-JZXOWHBKSA-N 0 3 384.546 0.357 20 0 GCADHN CS(=O)(=O)Nc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000729497126 1195745332 /nfs/dbraw/zinc/74/53/32/1195745332.db2.gz LURCIYQSRUDHLQ-HOTGVXAUSA-N 0 3 382.486 0.721 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000579377597 1195749009 /nfs/dbraw/zinc/74/90/09/1195749009.db2.gz SXNWTDUAGZIJGY-WBVHZDCISA-N 0 3 398.467 0.747 20 0 GCADHN Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000579377594 1195749116 /nfs/dbraw/zinc/74/91/16/1195749116.db2.gz SXNWTDUAGZIJGY-DOTOQJQBSA-N 0 3 398.467 0.747 20 0 GCADHN CO[C@@H]1COCC[C@@H]1CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000459000964 1195749300 /nfs/dbraw/zinc/74/93/00/1195749300.db2.gz KZDJYTSPHJYJBI-GGPKGHCWSA-N 0 3 377.485 0.974 20 0 GCADHN CN(C)c1ncc(CNC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)n1C ZINC000550414023 1195754594 /nfs/dbraw/zinc/75/45/94/1195754594.db2.gz HJSWLVBOEADHLG-INIZCTEOSA-N 0 3 386.500 0.391 20 0 GCADHN CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1)Cc1ccccc1 ZINC000550415286 1195757112 /nfs/dbraw/zinc/75/71/12/1195757112.db2.gz JXXBLCFHHUVPBD-BBTUJRGHSA-N 0 3 389.496 0.730 20 0 GCADHN CCC[C@@H](C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1)N(C)C ZINC000132342755 1195764087 /nfs/dbraw/zinc/76/40/87/1195764087.db2.gz VMFMWLCZAATHBA-INIZCTEOSA-N 0 3 382.530 0.974 20 0 GCADHN Cc1cccn2c(=O)c(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cnc12 ZINC000180039636 1195764705 /nfs/dbraw/zinc/76/47/05/1195764705.db2.gz RRLXNCORQMALFB-UHFFFAOYSA-N 0 3 383.452 0.383 20 0 GCADHN Cc1cccn2c(=O)c(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cnc12 ZINC000180404422 1195766902 /nfs/dbraw/zinc/76/69/02/1195766902.db2.gz RHTMRUWGIZYMLH-INIZCTEOSA-N 0 3 383.452 0.382 20 0 GCADHN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000536431217 1195768600 /nfs/dbraw/zinc/76/86/00/1195768600.db2.gz JWAOPGLBEGURQP-IEBWSBKVSA-N 0 3 385.464 0.862 20 0 GCADHN O=C(CCCN1C(=O)CCC1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000536433279 1195768671 /nfs/dbraw/zinc/76/86/71/1195768671.db2.gz YUWPJWRBPCLDFP-QZTJIDSGSA-N 0 3 387.480 0.915 20 0 GCADHN O=C(CCCN1C(=O)CCC1=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000536433280 1195768737 /nfs/dbraw/zinc/76/87/37/1195768737.db2.gz YUWPJWRBPCLDFP-ROUUACIJSA-N 0 3 387.480 0.915 20 0 GCADHN CCc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[nH]c(C)c1C(N)=O ZINC000133261221 1195769466 /nfs/dbraw/zinc/76/94/66/1195769466.db2.gz AHHUAWGSGNCPBM-AWEZNQCLSA-N 0 3 375.473 0.363 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000141461931 1195769683 /nfs/dbraw/zinc/76/96/83/1195769683.db2.gz SDACUTXNSGUMSI-KRWDZBQOSA-N 0 3 380.514 0.115 20 0 GCADHN Cc1cc(NC(=O)CN[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n(C)n1 ZINC001691512254 1195771280 /nfs/dbraw/zinc/77/12/80/1195771280.db2.gz WXVFQUDJKYHPOW-HMDWEJDISA-N 0 3 387.484 0.575 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000729504937 1195774710 /nfs/dbraw/zinc/77/47/10/1195774710.db2.gz GLIIJRQQZWWQHS-SJORKVTESA-N 0 3 380.489 0.130 20 0 GCADHN CC(C)c1nnc2n1C[C@@H](NC(=O)NC[C@@H](C)CN1CCN(C)CC1)CC2 ZINC000181608569 1195776559 /nfs/dbraw/zinc/77/65/59/1195776559.db2.gz YWVIQZZARWARMU-CVEARBPZSA-N 0 3 377.537 0.899 20 0 GCADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCOCCS(N)(=O)=O ZINC000665102654 1195776575 /nfs/dbraw/zinc/77/65/75/1195776575.db2.gz ULQPEIARUGJSHQ-INIZCTEOSA-N 0 3 398.529 0.598 20 0 GCADHN CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000507780733 1195790416 /nfs/dbraw/zinc/79/04/16/1195790416.db2.gz XJCUPTOBCMOQFI-UHFFFAOYSA-N 0 3 378.477 0.244 20 0 GCADHN Cc1ncc(-c2ccccc2)cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000520611664 1195799881 /nfs/dbraw/zinc/79/98/81/1195799881.db2.gz QYFJKGREMZNEPF-IRXDYDNUSA-N 0 3 393.447 0.766 20 0 GCADHN CCN1CCN(CCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000189794466 1195808124 /nfs/dbraw/zinc/80/81/24/1195808124.db2.gz ZNHOTTGVDJJFRJ-ROUUACIJSA-N 0 3 378.517 0.181 20 0 GCADHN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1N)C2)CC(C)(C)C ZINC001719888237 1195810488 /nfs/dbraw/zinc/81/04/88/1195810488.db2.gz LNXCJXCJXYPREJ-YUELXQCFSA-N 0 3 376.505 0.842 20 0 GCADHN CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3ccnn3CCN(C)C)ccc21 ZINC000520641030 1195811664 /nfs/dbraw/zinc/81/16/64/1195811664.db2.gz VQYINHIMSNRJJQ-UHFFFAOYSA-N 0 3 398.467 0.722 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CCN1CCOC ZINC000520654944 1195814445 /nfs/dbraw/zinc/81/44/45/1195814445.db2.gz RMKBSXOXBBBNCJ-SOLBZPMBSA-N 0 3 380.533 0.687 20 0 GCADHN CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CCN1CCOC ZINC000520654945 1195814694 /nfs/dbraw/zinc/81/46/94/1195814694.db2.gz RMKBSXOXBBBNCJ-XYJFISCASA-N 0 3 380.533 0.687 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000441711545 1195823494 /nfs/dbraw/zinc/82/34/94/1195823494.db2.gz DBWDTSAIRLMFHK-CQSZACIVSA-N 0 3 375.473 0.114 20 0 GCADHN O=C(c1cnn(C[C@@H](O)CO)c1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000614658307 1195830745 /nfs/dbraw/zinc/83/07/45/1195830745.db2.gz UPLYGTVCTFXYRS-MRXNPFEDSA-N 0 3 381.436 0.747 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1(C)C ZINC000515350870 1195834848 /nfs/dbraw/zinc/83/48/48/1195834848.db2.gz IGFNMBSYLCPBMJ-PCFVDWANSA-N 0 3 389.500 0.873 20 0 GCADHN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@@H](N)C(C)(C)C)CC3)C2=O)n(C)n1 ZINC000563887725 1195843639 /nfs/dbraw/zinc/84/36/39/1195843639.db2.gz APOXVNSWNHZJOB-NVXWUHKLSA-N 0 3 390.532 0.742 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2sccc2C(=O)OC)CC1 ZINC000441785205 1195847003 /nfs/dbraw/zinc/84/70/03/1195847003.db2.gz GDTNPCYTMARCQE-GFCCVEGCSA-N 0 3 382.486 0.615 20 0 GCADHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000027756715 1195851650 /nfs/dbraw/zinc/85/16/50/1195851650.db2.gz KZOHJEPOPQQGAH-HNNXBMFYSA-N 0 3 398.529 0.650 20 0 GCADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000427684374 1195865887 /nfs/dbraw/zinc/86/58/87/1195865887.db2.gz FKVVCQNDYNUWDC-STQMWFEESA-N 0 3 392.456 0.259 20 0 GCADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)C1(C(F)(F)F)CC1)C2 ZINC001270933939 1195892042 /nfs/dbraw/zinc/89/20/42/1195892042.db2.gz DZNRPUQINJCALE-HNNXBMFYSA-N 0 3 377.407 0.968 20 0 GCADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCc2ccccc2NC1=O ZINC000665249751 1195897549 /nfs/dbraw/zinc/89/75/49/1195897549.db2.gz YMUPQHQTGDJUGK-INIZCTEOSA-N 0 3 375.473 0.601 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000428110459 1195913148 /nfs/dbraw/zinc/91/31/48/1195913148.db2.gz GMCXJVPTNOGENL-CZUORRHYSA-N 0 3 377.489 0.988 20 0 GCADHN COc1cccc(C[C@@H](NC(C)=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000508348928 1195919427 /nfs/dbraw/zinc/91/94/27/1195919427.db2.gz UEOXHTBBPBGWOT-LJQANCHMSA-N 0 3 390.528 0.885 20 0 GCADHN COC(=O)C[C@H](N)C(=O)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000520818417 1195925343 /nfs/dbraw/zinc/92/53/43/1195925343.db2.gz LOSGIVKEOCVILF-ZDUSSCGKSA-N 0 3 375.429 0.267 20 0 GCADHN COC(=O)C[C@H](N)C(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000520818417 1195925347 /nfs/dbraw/zinc/92/53/47/1195925347.db2.gz LOSGIVKEOCVILF-ZDUSSCGKSA-N 0 3 375.429 0.267 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000441951140 1195934859 /nfs/dbraw/zinc/93/48/59/1195934859.db2.gz BDZXCIXYJAGXRL-IBGZPJMESA-N 0 3 379.457 0.896 20 0 GCADHN CN(C)[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000487414444 1195937466 /nfs/dbraw/zinc/93/74/66/1195937466.db2.gz WRHPERMAZSTBDF-OLZOCXBDSA-N 0 3 390.469 0.700 20 0 GCADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cnn(C3CCOCC3)c2)C1 ZINC000441987943 1195939065 /nfs/dbraw/zinc/93/90/65/1195939065.db2.gz SAXFAURSXFEVLV-AWEZNQCLSA-N 0 3 399.517 0.100 20 0 GCADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCN(C)C1CC1)CC2 ZINC000442005181 1195940814 /nfs/dbraw/zinc/94/08/14/1195940814.db2.gz YGKLAMISYVQUDB-UHFFFAOYSA-N 0 3 394.497 0.084 20 0 GCADHN CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000442011782 1195942074 /nfs/dbraw/zinc/94/20/74/1195942074.db2.gz MFTHRHRTEFAPNB-ZDUSSCGKSA-N 0 3 391.472 0.334 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000521053504 1195958220 /nfs/dbraw/zinc/95/82/20/1195958220.db2.gz LVCULLXNIDIKNC-ZBFHGGJFSA-N 0 3 388.468 0.517 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000521053503 1195958237 /nfs/dbraw/zinc/95/82/37/1195958237.db2.gz LVCULLXNIDIKNC-HOCLYGCPSA-N 0 3 388.468 0.517 20 0 GCADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000521053501 1195958414 /nfs/dbraw/zinc/95/84/14/1195958414.db2.gz LVCULLXNIDIKNC-GDBMZVCRSA-N 0 3 388.468 0.517 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)CSc1nnnn1C1CCCC1 ZINC000521068756 1195959810 /nfs/dbraw/zinc/95/98/10/1195959810.db2.gz MFBYCXYMTOUNBQ-UHFFFAOYSA-N 0 3 381.550 0.976 20 0 GCADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000521110580 1195964028 /nfs/dbraw/zinc/96/40/28/1195964028.db2.gz PCIWGZYXFITNIV-OALUTQOASA-N 0 3 388.512 0.956 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)[C@H]3CCNC3=O)cc2)CC1 ZINC000442249489 1195965328 /nfs/dbraw/zinc/96/53/28/1195965328.db2.gz HBDPWJJLSOMRPF-KRWDZBQOSA-N 0 3 387.484 0.110 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H]3CCNC3=O)c(C)c2)CC1 ZINC000442265987 1195968641 /nfs/dbraw/zinc/96/86/41/1195968641.db2.gz YJFNPIUJKSRANJ-KRWDZBQOSA-N 0 3 387.484 0.422 20 0 GCADHN CN(C(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCNC1=O ZINC000442265781 1195968671 /nfs/dbraw/zinc/96/86/71/1195968671.db2.gz XZBIEQSZVBHSIS-INIZCTEOSA-N 0 3 390.509 0.563 20 0 GCADHN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000442292400 1195972801 /nfs/dbraw/zinc/97/28/01/1195972801.db2.gz MMLUEZKQAQKLCH-DLBZAZTESA-N 0 3 387.528 0.924 20 0 GCADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000442334615 1195977380 /nfs/dbraw/zinc/97/73/80/1195977380.db2.gz MWROSGSSYVHZIQ-AWEZNQCLSA-N 0 3 388.468 0.907 20 0 GCADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000550457964 1195980474 /nfs/dbraw/zinc/98/04/74/1195980474.db2.gz JOMYTNANFOTWCX-IAGOWNOFSA-N 0 3 382.549 0.696 20 0 GCADHN COc1cc[n-]c(=NNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000067465548 1195982180 /nfs/dbraw/zinc/98/21/80/1195982180.db2.gz GVYGABCWPRSZIF-UHFFFAOYSA-N 0 3 387.444 0.603 20 0 GCADHN COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccc(CN(C)C)c3)C2)nn1 ZINC000442472762 1195987182 /nfs/dbraw/zinc/98/71/82/1195987182.db2.gz XUXVGRWRCPYQOO-UHFFFAOYSA-N 0 3 386.412 0.148 20 0 GCADHN N[C@@H]1C[C@@H]2CN(C(=O)Cc3ccc(OCc4ccccn4)cc3)CCN2C1=O ZINC000521371547 1195992136 /nfs/dbraw/zinc/99/21/36/1195992136.db2.gz GZXSDEFUUBADBA-IEBWSBKVSA-N 0 3 380.448 0.974 20 0 GCADHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cncc(C(=O)OC)c2)CC1 ZINC000521388408 1195993967 /nfs/dbraw/zinc/99/39/67/1195993967.db2.gz JIEVMCMBNJKNHT-AWEZNQCLSA-N 0 3 384.502 0.420 20 0 GCADHN CCN(C(=O)CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCOCC1)C1CC1 ZINC001271050294 1195994813 /nfs/dbraw/zinc/99/48/13/1195994813.db2.gz MIMHBTZTMKHPOG-BCDMZGRMSA-N 0 3 391.512 0.676 20 0 GCADHN CCN(CC)C(=O)CN1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000442672588 1195998768 /nfs/dbraw/zinc/99/87/68/1195998768.db2.gz OMIIILPJVAIJMM-UHFFFAOYSA-N 0 3 396.580 0.208 20 0 GCADHN CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](NCCN2C(=O)CNC2=O)C1=O ZINC000442762399 1196001432 /nfs/dbraw/zinc/00/14/32/1196001432.db2.gz DYHKFDSXIMLRKO-OCCSQVGLSA-N 0 3 382.461 0.095 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)NCc1cc(F)ccc1F ZINC000550461418 1196003666 /nfs/dbraw/zinc/00/36/66/1196003666.db2.gz JSORVPLRQGXZAC-UHFFFAOYSA-N 0 3 398.454 0.087 20 0 GCADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000521571361 1196004001 /nfs/dbraw/zinc/00/40/01/1196004001.db2.gz HPBDQZZTFDKURZ-PKOBYXMFSA-N 0 3 385.512 0.984 20 0 GCADHN CCN1CCN(CCC(=O)N2CC[C@@](C)(NCC(=O)OC(C)(C)C)C2)CC1 ZINC000442819283 1196006122 /nfs/dbraw/zinc/00/61/22/1196006122.db2.gz KDWHOPRQEFXZST-HXUWFJFHSA-N 0 3 382.549 0.936 20 0 GCADHN CC(C)N(CCCNC(=O)COc1ccc2c(c1)OCCNC2)S(C)(=O)=O ZINC000521611816 1196007323 /nfs/dbraw/zinc/00/73/23/1196007323.db2.gz WPNCPAUDGJTUAE-UHFFFAOYSA-N 0 3 399.513 0.724 20 0 GCADHN COC(=O)C1CCN(S(=O)(=O)N2CCNC[C@H]2c2cccc(F)c2)CC1 ZINC000521625387 1196008614 /nfs/dbraw/zinc/00/86/14/1196008614.db2.gz JSQVSTURCGMPQR-INIZCTEOSA-N 0 3 385.461 0.902 20 0 GCADHN CC(C)n1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000521714305 1196012386 /nfs/dbraw/zinc/01/23/86/1196012386.db2.gz VKKRVXQXGOGPCB-UHFFFAOYSA-N 0 3 376.461 0.169 20 0 GCADHN COc1ccc(Cl)c(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)c1 ZINC001271073254 1196012472 /nfs/dbraw/zinc/01/24/72/1196012472.db2.gz DPKBXPNFDLEBLQ-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN CN1CCN(CCNC(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1(C)C ZINC000442961921 1196013755 /nfs/dbraw/zinc/01/37/55/1196013755.db2.gz FRTQCWOKELZUDP-UHFFFAOYSA-N 0 3 382.468 0.932 20 0 GCADHN CN(C)C(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000442997464 1196014664 /nfs/dbraw/zinc/01/46/64/1196014664.db2.gz ZNDRNRZIGLBOKE-HNNXBMFYSA-N 0 3 396.513 0.254 20 0 GCADHN CC(C)N1CCC(O)(CNS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000443010194 1196015733 /nfs/dbraw/zinc/01/57/33/1196015733.db2.gz MPEYIJJMUJGDFE-UHFFFAOYSA-N 0 3 383.514 0.902 20 0 GCADHN CCCN(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)C2 ZINC001719895007 1196015910 /nfs/dbraw/zinc/01/59/10/1196015910.db2.gz GNHCUKVGQLVABI-VQHPVUNQSA-N 0 3 378.517 0.835 20 0 GCADHN COc1cccc(C[C@@H](O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000443041161 1196017320 /nfs/dbraw/zinc/01/73/20/1196017320.db2.gz AHTZOOCIJSCGOK-QZTJIDSGSA-N 0 3 375.469 0.364 20 0 GCADHN COC(=O)c1ccccc1CS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000443084583 1196018610 /nfs/dbraw/zinc/01/86/10/1196018610.db2.gz IECVQBAEOUEECV-AWEZNQCLSA-N 0 3 397.497 0.480 20 0 GCADHN CCc1oc(C(=O)OC)cc1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443087582 1196018786 /nfs/dbraw/zinc/01/87/86/1196018786.db2.gz RZMFCTIFRZPUMR-UHFFFAOYSA-N 0 3 387.502 0.933 20 0 GCADHN CC(=O)N(C)c1ccc(S(=O)(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000443101615 1196019434 /nfs/dbraw/zinc/01/94/34/1196019434.db2.gz LSQGFKKLSDZGTJ-UHFFFAOYSA-N 0 3 382.530 0.974 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCc3c2cc(F)cc3F)CC1(C)C ZINC000443108785 1196019962 /nfs/dbraw/zinc/01/99/62/1196019962.db2.gz JLLDUANFYGASGK-UHFFFAOYSA-N 0 3 380.439 0.996 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)CC1(C)C ZINC000443114051 1196020770 /nfs/dbraw/zinc/02/07/70/1196020770.db2.gz JVYJHMHWFRMDPK-UHFFFAOYSA-N 0 3 376.505 0.855 20 0 GCADHN CCS(=O)(=O)N1CC(CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000191088535 1196028188 /nfs/dbraw/zinc/02/81/88/1196028188.db2.gz ADSUSEVHVOSURO-UHFFFAOYSA-N 0 3 386.518 0.943 20 0 GCADHN CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000443281179 1196035174 /nfs/dbraw/zinc/03/51/74/1196035174.db2.gz FAHZZWNZSQGXIP-QGZVFWFLSA-N 0 3 383.514 0.694 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccc(OC(F)F)c1 ZINC000522015672 1196035911 /nfs/dbraw/zinc/03/59/11/1196035911.db2.gz YYLJWFGLRNFBOW-SUHUHFCYSA-N 0 3 396.394 0.236 20 0 GCADHN CS[C@@H]1CN(C(=O)c2nnn(Cc3noc(C)n3)c2C)C[C@@H]1N1CCCC1 ZINC000522056231 1196040797 /nfs/dbraw/zinc/04/07/97/1196040797.db2.gz NVKZOSANCJCASI-UONOGXRCSA-N 0 3 391.501 0.978 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000522102809 1196044316 /nfs/dbraw/zinc/04/43/16/1196044316.db2.gz FIABAYJEAUXKRJ-IAGOWNOFSA-N 0 3 393.532 0.726 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000522134951 1196045651 /nfs/dbraw/zinc/04/56/51/1196045651.db2.gz YYYRACZMDOZKJC-UHFFFAOYSA-N 0 3 382.486 0.026 20 0 GCADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000443434168 1196047492 /nfs/dbraw/zinc/04/74/92/1196047492.db2.gz HELFHLPXDOZUAQ-IRXDYDNUSA-N 0 3 381.521 0.080 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CCN1CCCN1C(=O)NC(C)(C)C1=O ZINC001087580241 1196049613 /nfs/dbraw/zinc/04/96/13/1196049613.db2.gz VPEGQNXHEIWMHT-CJXDPKRBSA-N 0 3 392.500 0.713 20 0 GCADHN COCc1nc2n(n1)C[C@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)CC2 ZINC000474058264 1196052356 /nfs/dbraw/zinc/05/23/56/1196052356.db2.gz QDVDVFCBROPEEF-OAHLLOKOSA-N 0 3 393.536 0.455 20 0 GCADHN COCc1nc2n(n1)C[C@@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)CC2 ZINC000474058257 1196052592 /nfs/dbraw/zinc/05/25/92/1196052592.db2.gz QDVDVFCBROPEEF-HNNXBMFYSA-N 0 3 393.536 0.455 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCN1CCc1ccnn1C ZINC001087669781 1196058018 /nfs/dbraw/zinc/05/80/18/1196058018.db2.gz PWMITCDRRCAKEB-GPFWEFOESA-N 0 3 376.501 0.983 20 0 GCADHN C[C@@H]1CCN(C)CCN1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000522220298 1196063091 /nfs/dbraw/zinc/06/30/91/1196063091.db2.gz XJWZINXLYWFNKT-OAHLLOKOSA-N 0 3 387.484 0.494 20 0 GCADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1Cc1ccc(C(N)=O)cc1 ZINC001087723857 1196066177 /nfs/dbraw/zinc/06/61/77/1196066177.db2.gz ISEXGBAVDWKOJX-VVLHAWIVSA-N 0 3 388.468 0.288 20 0 GCADHN CCOC(=O)Cn1cc(CN2CCC[C@](CO)(OC)C2)c(-c2cnn(C)c2)n1 ZINC000895250304 1196068772 /nfs/dbraw/zinc/06/87/72/1196068772.db2.gz HTYWOVIMKQBXIV-IBGZPJMESA-N 0 3 391.472 0.820 20 0 GCADHN C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N(C)CCN3CCCC3)cn2)CCO1 ZINC000550512048 1196069324 /nfs/dbraw/zinc/06/93/24/1196069324.db2.gz YBJSOWSKFSANDS-MRXNPFEDSA-N 0 3 389.500 0.477 20 0 GCADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000522290081 1196073102 /nfs/dbraw/zinc/07/31/02/1196073102.db2.gz JMCIEHSTHNBZQU-HNNXBMFYSA-N 0 3 396.513 0.647 20 0 GCADHN c1nc(N2CCOCC2)cc(N2CCN(CCN3CCCOCC3)CC2)n1 ZINC000429684673 1196076711 /nfs/dbraw/zinc/07/67/11/1196076711.db2.gz KVCRCMOCRWLBBQ-UHFFFAOYSA-N 0 3 376.505 0.158 20 0 GCADHN O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000895297328 1196078980 /nfs/dbraw/zinc/07/89/80/1196078980.db2.gz CDWPQQJZAXHAGA-QZTJIDSGSA-N 0 3 396.532 0.108 20 0 GCADHN COCC(=O)N1CCC(NC(=O)N2CCN(c3ccncc3OC)CC2)CC1 ZINC000474129257 1196084137 /nfs/dbraw/zinc/08/41/37/1196084137.db2.gz ONVOWWCOYRUZQG-UHFFFAOYSA-N 0 3 391.472 0.559 20 0 GCADHN COc1cncc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n1 ZINC000984416310 1196085463 /nfs/dbraw/zinc/08/54/63/1196085463.db2.gz QUGZFYZQGVJFSX-KBXBGSNASA-N 0 3 376.457 0.521 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000550564115 1196088111 /nfs/dbraw/zinc/08/81/11/1196088111.db2.gz ZRJJYZIDBWGKLZ-QGZVFWFLSA-N 0 3 389.500 0.525 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000550567744 1196089199 /nfs/dbraw/zinc/08/91/99/1196089199.db2.gz ISSXDYAJGBCAAT-SFHVURJKSA-N 0 3 398.507 0.599 20 0 GCADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCc1nnc2n1CCCCC2 ZINC000550579528 1196092196 /nfs/dbraw/zinc/09/21/96/1196092196.db2.gz NVILOCHKSYEBJV-CVEARBPZSA-N 0 3 390.532 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/nfs/dbraw/zinc/10/62/64/1196106264.db2.gz WLKIIWNMOWFNIC-MOPGFXCFSA-N 0 3 376.501 0.334 20 0 GCADHN CC(=O)N1CCC[C@@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000474296490 1196107333 /nfs/dbraw/zinc/10/73/33/1196107333.db2.gz HIQMMDVCPXUTQN-DLBZAZTESA-N 0 3 381.521 0.487 20 0 GCADHN CC(=O)N1CCC[C@H](CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000474296491 1196107395 /nfs/dbraw/zinc/10/73/95/1196107395.db2.gz HIQMMDVCPXUTQN-IAGOWNOFSA-N 0 3 381.521 0.487 20 0 GCADHN CCn1cc(CN(CCO)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000474297389 1196107400 /nfs/dbraw/zinc/10/74/00/1196107400.db2.gz MPYKKQFKSRQKAO-KRWDZBQOSA-N 0 3 394.520 0.350 20 0 GCADHN O=C(NCCN1C[C@@H]2CCCCN2C1=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000895860657 1196114594 /nfs/dbraw/zinc/11/45/94/1196114594.db2.gz BHQMSWYKJFORFE-GVDBMIGSSA-N 0 3 379.505 0.517 20 0 GCADHN Cn1cc([C@]2(CNC(=O)NC3CCN([C@H]4CCOC4)CC3)CCCO2)cn1 ZINC000895850917 1196115198 /nfs/dbraw/zinc/11/51/98/1196115198.db2.gz LUMOYRASCFJRID-PKOBYXMFSA-N 0 3 377.489 0.978 20 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398.529 0.891 20 0 GCADHN CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@@H]1CN3CCN1CCC3)C2 ZINC000329100756 1196163854 /nfs/dbraw/zinc/16/38/54/1196163854.db2.gz DVWKRJRDGMXBMP-KRWDZBQOSA-N 0 3 392.525 0.212 20 0 GCADHN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000329166932 1196171325 /nfs/dbraw/zinc/17/13/25/1196171325.db2.gz IHILSPMGGWVFBG-MRXNPFEDSA-N 0 3 381.498 0.803 20 0 GCADHN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000329174363 1196171973 /nfs/dbraw/zinc/17/19/73/1196171973.db2.gz LCFPRFRXQGSXQK-DLBZAZTESA-N 0 3 381.498 0.595 20 0 GCADHN CC(=O)N1CC[C@@H](N[C@@H](C)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000329176449 1196172454 /nfs/dbraw/zinc/17/24/54/1196172454.db2.gz MWCPEMFSUTWFIS-WMLDXEAASA-N 0 3 381.498 0.979 20 0 GCADHN Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@@H]4CCCN4C)CC3)C2=O)n(C)n1 ZINC000329340444 1196187077 /nfs/dbraw/zinc/18/70/77/1196187077.db2.gz OHFRJCUSXMSUJU-IRXDYDNUSA-N 0 3 388.516 0.462 20 0 GCADHN CS(=O)(=O)c1ccccc1CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO 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C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CCN(Cc3cccc(C(N)=O)c3)C[C@H]2C1 ZINC001087998328 1196212648 /nfs/dbraw/zinc/21/26/48/1196212648.db2.gz CFZAHPQFXMZFLR-VLQPXKRTSA-N 0 3 387.480 0.870 20 0 GCADHN CCN(CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCN(C(N)=O)CC1 ZINC001719898241 1196227845 /nfs/dbraw/zinc/22/78/45/1196227845.db2.gz XNEHXVUJWVNSPJ-OAGGEKHMSA-N 0 3 379.505 0.367 20 0 GCADHN COc1cccc(N2C[C@@H](NC(=O)N3CCO[C@H](CN(C)C)C3)CC2=O)c1 ZINC000522664787 1196228160 /nfs/dbraw/zinc/22/81/60/1196228160.db2.gz CEZYOPKWOMLUOD-WMLDXEAASA-N 0 3 376.457 0.773 20 0 GCADHN O=C(N1C[C@H]2CCN(CCN3C(=O)CCC3=O)C[C@H]2C1)[C@]12CCC[C@H]1OCC2 ZINC001088037892 1196233672 /nfs/dbraw/zinc/23/36/72/1196233672.db2.gz LPEYJKXGCNYKSG-WOYCLPQFSA-N 0 3 389.496 0.875 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)CN2CCc3ccccc3C2=O)CC1 ZINC000329884282 1196236174 /nfs/dbraw/zinc/23/61/74/1196236174.db2.gz SFWCXCGGVOQYCV-UHFFFAOYSA-N 0 3 384.480 0.452 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)CC1 ZINC000329889000 1196236460 /nfs/dbraw/zinc/23/64/60/1196236460.db2.gz ZPBTYOPAJGWKMH-OAHLLOKOSA-N 0 3 377.489 0.550 20 0 GCADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000329968710 1196243278 /nfs/dbraw/zinc/24/32/78/1196243278.db2.gz WEATVQSBDRYDCY-PVAVHDDUSA-N 0 3 377.485 0.873 20 0 GCADHN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]2C1 ZINC001088048524 1196244511 /nfs/dbraw/zinc/24/45/11/1196244511.db2.gz KPQKUCVZQUIVAJ-QXSJWSMHSA-N 0 3 378.473 0.134 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000330104406 1196253231 /nfs/dbraw/zinc/25/32/31/1196253231.db2.gz GXYZQCIIGYNTCG-HNNXBMFYSA-N 0 3 385.424 0.420 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000330101502 1196253307 /nfs/dbraw/zinc/25/33/07/1196253307.db2.gz FNHRDFLDNMYFEV-BIWSTMPVSA-N 0 3 391.472 0.565 20 0 GCADHN CCCC(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330136968 1196255258 /nfs/dbraw/zinc/25/52/58/1196255258.db2.gz UPHJQGNPYQXHMP-LSDHHAIUSA-N 0 3 382.530 0.453 20 0 GCADHN CCCC(=O)N1CSC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330136966 1196255308 /nfs/dbraw/zinc/25/53/08/1196255308.db2.gz UPHJQGNPYQXHMP-GJZGRUSLSA-N 0 3 382.530 0.453 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CSCC(=O)N2CCCCC2)CC1 ZINC000330143016 1196255729 /nfs/dbraw/zinc/25/57/29/1196255729.db2.gz YQEZUVVIYCMLSE-MRXNPFEDSA-N 0 3 396.557 0.497 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000330151038 1196256138 /nfs/dbraw/zinc/25/61/38/1196256138.db2.gz NJLMXIMHYRITRU-KRWDZBQOSA-N 0 3 379.482 0.644 20 0 GCADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1(NC(=O)OC(C)(C)C)CC1 ZINC000896887064 1196258524 /nfs/dbraw/zinc/25/85/24/1196258524.db2.gz GTSHHQXFVODLPE-ZDUSSCGKSA-N 0 3 383.493 0.805 20 0 GCADHN CCN1CCN(CCNC(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1 ZINC000281047113 1196271307 /nfs/dbraw/zinc/27/13/07/1196271307.db2.gz XSDSQGBVCCPYOQ-IBGZPJMESA-N 0 3 390.484 0.951 20 0 GCADHN C[C@@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1=CCN(C)CC1 ZINC000281074098 1196275886 /nfs/dbraw/zinc/27/58/86/1196275886.db2.gz DNXQXQAIOZAORN-FZKQIMNGSA-N 0 3 378.473 0.369 20 0 GCADHN CNC(=O)[C@]1(C)CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000281144601 1196278298 /nfs/dbraw/zinc/27/82/98/1196278298.db2.gz OYOGTBJJGDSDRD-VEVIJQCQSA-N 0 3 396.513 0.358 20 0 GCADHN CNC(=O)[C@]1(C)CCN(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1 ZINC000281180687 1196283783 /nfs/dbraw/zinc/28/37/83/1196283783.db2.gz QWMMNVWJSFAAOU-LJQANCHMSA-N 0 3 379.457 0.787 20 0 GCADHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000281224126 1196284075 /nfs/dbraw/zinc/28/40/75/1196284075.db2.gz MLQVJAPZVVXWDJ-OAHLLOKOSA-N 0 3 383.514 0.904 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)C1 ZINC000281283388 1196286594 /nfs/dbraw/zinc/28/65/94/1196286594.db2.gz QILRULIOCMDOEE-OAHLLOKOSA-N 0 3 383.514 0.761 20 0 GCADHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000487454666 1196291827 /nfs/dbraw/zinc/29/18/27/1196291827.db2.gz WTWJBTGYPGNHNW-HLLBOEOZSA-N 0 3 379.505 0.397 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000281473395 1196299046 /nfs/dbraw/zinc/29/90/46/1196299046.db2.gz GKLHBTBYDWJFTL-HNNXBMFYSA-N 0 3 382.486 0.007 20 0 GCADHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=S)NCCCC[S@@](C)=O ZINC001279142116 1196301046 /nfs/dbraw/zinc/30/10/46/1196301046.db2.gz OJXFKYYJXOXNPC-KDCSIKNMSA-N 0 3 388.603 0.647 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)CNC(=O)COc2ccccc2)CC1 ZINC000522746286 1196306146 /nfs/dbraw/zinc/30/61/46/1196306146.db2.gz RXEBMTAJPXZXHN-UHFFFAOYSA-N 0 3 383.452 0.967 20 0 GCADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000522772191 1196308033 /nfs/dbraw/zinc/30/80/33/1196308033.db2.gz PSPNHVHIDZKEHV-OAHLLOKOSA-N 0 3 397.497 0.646 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](CO)CCOC)c(C)c2)CC1 ZINC000281552219 1196308523 /nfs/dbraw/zinc/30/85/23/1196308523.db2.gz OGDQWMQHFWIJJJ-MRXNPFEDSA-N 0 3 392.500 0.589 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000281630409 1196316656 /nfs/dbraw/zinc/31/66/56/1196316656.db2.gz QLLDJMJWGMMVAB-YXMGTMDOSA-N 0 3 394.541 0.737 20 0 GCADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000281672265 1196318820 /nfs/dbraw/zinc/31/88/20/1196318820.db2.gz UAWZYVLICLLWMP-SUMWQHHRSA-N 0 3 381.498 0.512 20 0 GCADHN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C1=CCN(C)CC1 ZINC000281674483 1196318842 /nfs/dbraw/zinc/31/88/42/1196318842.db2.gz UFKMWSGGSRTRGA-AWEZNQCLSA-N 0 3 381.498 0.680 20 0 GCADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 ZINC000522789898 1196323663 /nfs/dbraw/zinc/32/36/63/1196323663.db2.gz DPDVDTLNUCRUIK-AWEZNQCLSA-N 0 3 392.456 0.488 20 0 GCADHN CN1CCN(CC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CC1=O ZINC000444083140 1196327037 /nfs/dbraw/zinc/32/70/37/1196327037.db2.gz PFPKKYHENZBMGN-UHFFFAOYSA-N 0 3 392.475 0.559 20 0 GCADHN CN1CCN(CCNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1(C)C ZINC000281749363 1196330076 /nfs/dbraw/zinc/33/00/76/1196330076.db2.gz KPOMNIHZMKXTSO-JKSUJKDBSA-N 0 3 375.473 0.099 20 0 GCADHN COc1cc(F)c(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1OC ZINC000281750858 1196330413 /nfs/dbraw/zinc/33/04/13/1196330413.db2.gz ADOXGJWPIBWXHS-UHFFFAOYSA-N 0 3 396.463 0.924 20 0 GCADHN CCOc1ccccc1C(=O)NCC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281813947 1196335390 /nfs/dbraw/zinc/33/53/90/1196335390.db2.gz QLYKVXLQENWWMV-UHFFFAOYSA-N 0 3 376.501 0.957 20 0 GCADHN COC(=O)c1sccc1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281825005 1196338328 /nfs/dbraw/zinc/33/83/28/1196338328.db2.gz DVJZKUIBLISDMM-UHFFFAOYSA-N 0 3 382.486 0.615 20 0 GCADHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281828494 1196338612 /nfs/dbraw/zinc/33/86/12/1196338612.db2.gz RTAIJOWWPYOERG-GOSISDBHSA-N 0 3 385.516 0.908 20 0 GCADHN CN1CCN(CCNC(=O)NCCn2c3ccccc3oc2=O)CC1(C)C ZINC000281861410 1196342195 /nfs/dbraw/zinc/34/21/95/1196342195.db2.gz ODOLRMBHQBUTON-UHFFFAOYSA-N 0 3 375.473 0.920 20 0 GCADHN CN(C)CCN1C[C@@]2(CCN(C(=O)c3cn4ccnc4s3)C2)OCC1=O ZINC001271372770 1196342453 /nfs/dbraw/zinc/34/24/53/1196342453.db2.gz NLOOMJRIKHNUSL-QGZVFWFLSA-N 0 3 377.470 0.401 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c(F)c1 ZINC000281894576 1196345037 /nfs/dbraw/zinc/34/50/37/1196345037.db2.gz ILKZILOBRIZIBM-UHFFFAOYSA-N 0 3 394.447 0.693 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1)CN1CCN(C)CC1 ZINC000522830628 1196348241 /nfs/dbraw/zinc/34/82/41/1196348241.db2.gz KEESKQKSCJBVKF-OAHLLOKOSA-N 0 3 385.472 0.206 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CC1(C)C ZINC000281949655 1196351337 /nfs/dbraw/zinc/35/13/37/1196351337.db2.gz KWPAXSFOQMKODQ-UHFFFAOYSA-N 0 3 390.484 0.545 20 0 GCADHN CCn1nc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1C1CC1 ZINC000281962608 1196352834 /nfs/dbraw/zinc/35/28/34/1196352834.db2.gz LLAWILFKBNFUAG-UHFFFAOYSA-N 0 3 376.505 0.861 20 0 GCADHN CCO[C@@H]1C[C@](N)(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1(C)C ZINC000444170412 1196355338 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/nfs/dbraw/zinc/42/66/34/1196426634.db2.gz ZLOPCJUKIUWADR-HZPDHXFCSA-N 0 3 383.424 0.901 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@H](O)C3)cc21 ZINC000475447377 1196428292 /nfs/dbraw/zinc/42/82/92/1196428292.db2.gz PBWGFLVXVCEYLZ-JSGCOSHPSA-N 0 3 390.440 0.372 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCC2CCN(CC(F)(F)F)CC2)CC1=O ZINC000444408716 1196457251 /nfs/dbraw/zinc/45/72/51/1196457251.db2.gz HWTIBRGQZFAWID-AWEZNQCLSA-N 0 3 378.439 0.787 20 0 GCADHN O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652900806 1196462177 /nfs/dbraw/zinc/46/21/77/1196462177.db2.gz BYVDCPCDIMLQQA-LJQANCHMSA-N 0 3 384.484 0.647 20 0 GCADHN CC(C)Oc1ncccc1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282009170 1196473922 /nfs/dbraw/zinc/47/39/22/1196473922.db2.gz NVJRTVHFOFSKLD-UHFFFAOYSA-N 0 3 377.489 0.950 20 0 GCADHN CN(CC(=O)N1CCOCC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000985545435 1196496728 /nfs/dbraw/zinc/49/67/28/1196496728.db2.gz KYJPDJDTABCRST-BCDMZGRMSA-N 0 3 377.485 0.191 20 0 GCADHN C[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)cc1)n1cncn1 ZINC000367147879 1196497328 /nfs/dbraw/zinc/49/73/28/1196497328.db2.gz HYECWOUXMIWFET-YOEHRIQHSA-N 0 3 383.456 0.806 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCNC(=O)c1cccnc1 ZINC000523209326 1196503173 /nfs/dbraw/zinc/50/31/73/1196503173.db2.gz GDAHHWPGYRGNAL-INIZCTEOSA-N 0 3 390.488 0.053 20 0 GCADHN CCNC(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000523314554 1196514169 /nfs/dbraw/zinc/51/41/69/1196514169.db2.gz KBFUJRUEXVOWHH-QGZVFWFLSA-N 0 3 390.484 0.944 20 0 GCADHN O=C(CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1)NC1CC1 ZINC000523339776 1196515440 /nfs/dbraw/zinc/51/54/40/1196515440.db2.gz IJTOCZVEXSMIQK-GOSISDBHSA-N 0 3 385.512 0.716 20 0 GCADHN CC[C@@H](COC)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000523459912 1196526471 /nfs/dbraw/zinc/52/64/71/1196526471.db2.gz BNCTWKZTWPXAKB-INIZCTEOSA-N 0 3 390.484 0.864 20 0 GCADHN CC(=O)N1CCN(c2cccc(NC(=O)NC[C@@]3(O)CCN(C)C3)c2)CC1 ZINC000444984633 1196535489 /nfs/dbraw/zinc/53/54/89/1196535489.db2.gz DZNVIZOIFREVMP-IBGZPJMESA-N 0 3 375.473 0.543 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H](CO)Cc1ccco1 ZINC000523627747 1196537550 /nfs/dbraw/zinc/53/75/50/1196537550.db2.gz KIIRYGCZRFRENE-RDJZCZTQSA-N 0 3 380.489 0.673 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(OC3COC3)cc2)CC1 ZINC000445028396 1196538684 /nfs/dbraw/zinc/53/86/84/1196538684.db2.gz BCKRPTBXMDEEQX-OAHLLOKOSA-N 0 3 390.484 0.545 20 0 GCADHN CN(CCC1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1)CC(=O)N(C)C ZINC001271778496 1196544096 /nfs/dbraw/zinc/54/40/96/1196544096.db2.gz ILJXZSUMPNFKAF-JENIJYKNSA-N 0 3 381.517 0.687 20 0 GCADHN COc1ccccc1[C@@H](CO)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000523917603 1196566408 /nfs/dbraw/zinc/56/64/08/1196566408.db2.gz ZUEWCVZYCZXJTE-IAGOWNOFSA-N 0 3 392.500 0.971 20 0 GCADHN COc1ccccc1[C@H](CO)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000523917602 1196566636 /nfs/dbraw/zinc/56/66/36/1196566636.db2.gz 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ZINC000445784085 1196591225 /nfs/dbraw/zinc/59/12/25/1196591225.db2.gz NSYQREIRGIQDFV-HOTGVXAUSA-N 0 3 376.457 0.726 20 0 GCADHN C[C@H](CNC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)CN1CCN(C)CC1 ZINC000524416921 1196593920 /nfs/dbraw/zinc/59/39/20/1196593920.db2.gz WIBVOPWBJQRGIY-TWMKSMIVSA-N 0 3 378.517 0.550 20 0 GCADHN NC(=O)C1CCN(c2ncccc2CNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000524463470 1196597410 /nfs/dbraw/zinc/59/74/10/1196597410.db2.gz GCRTZNZSEFPPGQ-INIZCTEOSA-N 0 3 386.500 0.819 20 0 GCADHN CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000445917752 1196599123 /nfs/dbraw/zinc/59/91/23/1196599123.db2.gz UEKGOVWJCUJULT-UHFFFAOYSA-N 0 3 389.500 0.309 20 0 GCADHN CN(C)[C@@H](CNC(=O)C(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2)Cc1ccccc1 ZINC000897343961 1196599694 /nfs/dbraw/zinc/59/96/94/1196599694.db2.gz DOWKVLXXOCDOEC-RCCFBDPRSA-N 0 3 386.496 0.497 20 0 GCADHN C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1)n1cncn1 ZINC000445932931 1196601025 /nfs/dbraw/zinc/60/10/25/1196601025.db2.gz RRRXOTJEGDLCAP-ZDUSSCGKSA-N 0 3 387.444 0.436 20 0 GCADHN COC[C@H](NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C)[C@H]1CCCOC1 ZINC000897344265 1196601063 /nfs/dbraw/zinc/60/10/63/1196601063.db2.gz MKFALUXIJZLNOJ-OTWHNJEPSA-N 0 3 391.512 0.833 20 0 GCADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001719903690 1196606162 /nfs/dbraw/zinc/60/61/62/1196606162.db2.gz DIPFKIMJZWQWHE-VQHPVUNQSA-N 0 3 378.517 0.832 20 0 GCADHN CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000897344902 1196606179 /nfs/dbraw/zinc/60/61/79/1196606179.db2.gz RGFIEUPHEJTOBA-RCCFBDPRSA-N 0 3 377.485 0.538 20 0 GCADHN CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000897344901 1196606326 /nfs/dbraw/zinc/60/63/26/1196606326.db2.gz RGFIEUPHEJTOBA-OKZBNKHCSA-N 0 3 377.485 0.538 20 0 GCADHN CCCN1C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN(C)C(C)C)C3)CC1=O ZINC001719903695 1196612914 /nfs/dbraw/zinc/61/29/14/1196612914.db2.gz DLOWZTIIBSNYSW-VQHPVUNQSA-N 0 3 378.517 0.833 20 0 GCADHN Cc1ccccc1CN1CCCN(C(=O)CN2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639851824 1196614489 /nfs/dbraw/zinc/61/44/89/1196614489.db2.gz PRFIRPFCPIFFRZ-TZIWHRDSSA-N 0 3 375.513 0.847 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000446189245 1196621106 /nfs/dbraw/zinc/62/11/06/1196621106.db2.gz PSXJPHFEIQTKAT-ARGWCVDVSA-N 0 3 392.500 0.890 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000446189247 1196621226 /nfs/dbraw/zinc/62/12/26/1196621226.db2.gz PSXJPHFEIQTKAT-LRDNONRASA-N 0 3 392.500 0.890 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000524773959 1196621932 /nfs/dbraw/zinc/62/19/32/1196621932.db2.gz YZOWVEQHRBYWSK-MRXNPFEDSA-N 0 3 398.529 0.629 20 0 GCADHN CCN(CC)C(=O)CN1CCCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446257589 1196629202 /nfs/dbraw/zinc/62/92/02/1196629202.db2.gz GQAUXUIMVQCHFZ-DJPFJPOOSA-N 0 3 394.560 0.922 20 0 GCADHN Cn1c2ncc(NC(=O)[C@]3(N)[C@H]4CCCO[C@H]4C3(C)C)cc2c(=O)n(C)c1=O ZINC000446258593 1196629995 /nfs/dbraw/zinc/62/99/95/1196629995.db2.gz NJEXZQFAASSPRW-XEKQOVJPSA-N 0 3 387.440 0.103 20 0 GCADHN CCS(=O)(=O)N(C)C1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446315450 1196632563 /nfs/dbraw/zinc/63/25/63/1196632563.db2.gz JVSHOXWDOYSLGX-HDMKZQKVSA-N 0 3 387.546 0.791 20 0 GCADHN CCN(C1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1)S(C)(=O)=O ZINC000446316576 1196633245 /nfs/dbraw/zinc/63/32/45/1196633245.db2.gz WRKUQFMHEJKKTC-IIDMSEBBSA-N 0 3 387.546 0.791 20 0 GCADHN Cc1cc(N2CCN(C(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)CC2)n2ncnc2n1 ZINC000446366938 1196638617 /nfs/dbraw/zinc/63/86/17/1196638617.db2.gz PEHOCPMOFVQWPR-AKCHCHLHSA-N 0 3 399.499 0.614 20 0 GCADHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000446377459 1196639132 /nfs/dbraw/zinc/63/91/32/1196639132.db2.gz RWTIBINZVZWJRL-CRFBAAHOSA-N 0 3 385.472 0.305 20 0 GCADHN CCOC(=O)C1(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC1 ZINC000524948799 1196641250 /nfs/dbraw/zinc/64/12/50/1196641250.db2.gz XPKLDMYBHVAPDO-UHFFFAOYSA-N 0 3 380.489 0.669 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000446427195 1196642236 /nfs/dbraw/zinc/64/22/36/1196642236.db2.gz AWKGLADYKHRGNT-UHFFFAOYSA-N 0 3 387.440 0.222 20 0 GCADHN C[C@@H](CN1CCOCC1)NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000524990832 1196643187 /nfs/dbraw/zinc/64/31/87/1196643187.db2.gz CPCIAKHKEIRXDX-FXAWDEMLSA-N 0 3 376.501 0.643 20 0 GCADHN COCCOc1ncccc1CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000671040310 1196652749 /nfs/dbraw/zinc/65/27/49/1196652749.db2.gz HWCSETZFJVVOJC-MRXNPFEDSA-N 0 3 376.457 0.324 20 0 GCADHN CCN(CC)C(=O)CN1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000525302953 1196666103 /nfs/dbraw/zinc/66/61/03/1196666103.db2.gz HIYICBFLCRLCHF-UHFFFAOYSA-N 0 3 396.580 0.210 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)COc2ccccc2)CC1 ZINC000525305534 1196666750 /nfs/dbraw/zinc/66/67/50/1196666750.db2.gz LFZTYUVNJWOIMD-ZWKOTPCHSA-N 0 3 378.517 0.999 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1cccc(-n2cccn2)c1)CN1CCN(C)CC1 ZINC000525323546 1196672446 /nfs/dbraw/zinc/67/24/46/1196672446.db2.gz LKQZHRANCRHVGA-MRXNPFEDSA-N 0 3 384.484 0.811 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C[C@H](NC(C)=O)C(N)=O)cc2)CC1 ZINC000525380541 1196676105 /nfs/dbraw/zinc/67/61/05/1196676105.db2.gz XPOYVJWRYXTZPA-KRWDZBQOSA-N 0 3 375.473 0.143 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C[C@H](NC(C)=O)C(N)=O)c(C)c2)CC1 ZINC000525384523 1196676616 /nfs/dbraw/zinc/67/66/16/1196676616.db2.gz YJDDZNULGMNLIQ-KRWDZBQOSA-N 0 3 375.473 0.456 20 0 GCADHN COC[C@@H](NCc1ccccc1S(=O)(=O)N(C)CCO)C1CCOCC1 ZINC000446927979 1196683396 /nfs/dbraw/zinc/68/33/96/1196683396.db2.gz JFPFJKXSHNCVRT-QGZVFWFLSA-N 0 3 386.514 0.831 20 0 GCADHN CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(=O)NC1CCOCC1 ZINC001271870179 1196684058 /nfs/dbraw/zinc/68/40/58/1196684058.db2.gz XJJJISJOMUDPDP-ORVJBUBXSA-N 0 3 379.501 0.435 20 0 GCADHN CC(C)[C@@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)NCC(=O)N1CCNC(=O)C1 ZINC001271876400 1196686780 /nfs/dbraw/zinc/68/67/80/1196686780.db2.gz DPARENRGBHUWSD-MWDXBVQZSA-N 0 3 378.517 0.502 20 0 GCADHN CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)NCC(=O)N1CCNC(=O)C1 ZINC001271876401 1196687488 /nfs/dbraw/zinc/68/74/88/1196687488.db2.gz DPARENRGBHUWSD-NXOAAHMSSA-N 0 3 378.517 0.502 20 0 GCADHN COC(=O)[C@](C)(CN[C@H](C)C(=O)N1CCN(C(C)=O)CC1)c1ccc(F)cc1 ZINC000447025325 1196688527 /nfs/dbraw/zinc/68/85/27/1196688527.db2.gz CATMNRPOUUJVKZ-JLTOFOAXSA-N 0 3 393.459 0.925 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(CNS(=O)(=O)CC)cc2)CC1 ZINC000525574021 1196691414 /nfs/dbraw/zinc/69/14/14/1196691414.db2.gz LIWCEJTUBLNTQE-INIZCTEOSA-N 0 3 396.557 0.882 20 0 GCADHN CCN1CCN(CCC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CC1 ZINC000525692002 1196703183 /nfs/dbraw/zinc/70/31/83/1196703183.db2.gz CLTYGOPTLCRHRM-IBGZPJMESA-N 0 3 393.576 0.559 20 0 GCADHN FC(F)(F)COCCn1nnnc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000447312685 1196706988 /nfs/dbraw/zinc/70/69/88/1196706988.db2.gz HPJULJRLLMQSHV-ZDUSSCGKSA-N 0 3 378.399 0.406 20 0 GCADHN COc1c(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)cccc1C(N)=O ZINC000447422794 1196718958 /nfs/dbraw/zinc/71/89/58/1196718958.db2.gz NUKDNDUDOYWLHE-UHFFFAOYSA-N 0 3 376.457 0.971 20 0 GCADHN Cc1c(C(=O)NCCCCN2CCN(CCO)CC2)nnn1CC1CCCC1 ZINC000447558821 1196731556 /nfs/dbraw/zinc/73/15/56/1196731556.db2.gz QBPHKJURQZWYQG-UHFFFAOYSA-N 0 3 392.548 0.897 20 0 GCADHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000429721681 1196736212 /nfs/dbraw/zinc/73/62/12/1196736212.db2.gz RSVOQWPUOISRRU-BARDWOONSA-N 0 3 388.534 0.841 20 0 GCADHN CCOC(=O)c1ncn(C2CCN(CCCNS(=O)(=O)CC)CC2)c1N ZINC000429723748 1196736837 /nfs/dbraw/zinc/73/68/37/1196736837.db2.gz LCYJIKORQCLRSW-UHFFFAOYSA-N 0 3 387.506 0.608 20 0 GCADHN CCN1CCN(CCNC(=O)c2cc3c(nc4ccccn4c3=O)n2C)CC1 ZINC000526131631 1196743967 /nfs/dbraw/zinc/74/39/67/1196743967.db2.gz AYEDABWYAGPXQK-UHFFFAOYSA-N 0 3 382.468 0.554 20 0 GCADHN C[C@@H]1OCC[C@]12CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H](C)O2 ZINC000447834576 1196752929 /nfs/dbraw/zinc/75/29/29/1196752929.db2.gz RDGDEDCRNPJYPA-GLJUWKHASA-N 0 3 397.497 0.931 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCc2cn3c(n2)SCC3)CC1 ZINC000527042378 1196758667 /nfs/dbraw/zinc/75/86/67/1196758667.db2.gz LAWFYYRLLCTWDQ-UHFFFAOYSA-N 0 3 392.529 0.481 20 0 GCADHN C[C@H](N[C@@H](CO)[C@H]1CCCO1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000447900408 1196759492 /nfs/dbraw/zinc/75/94/92/1196759492.db2.gz BXXXBHWKEATFOE-FPMFFAJLSA-N 0 3 379.413 0.624 20 0 GCADHN C[C@H](N[C@@H](CO)[C@@H]1CCCO1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000447900883 1196759610 /nfs/dbraw/zinc/75/96/10/1196759610.db2.gz FHCRRHDTJFJIEG-VDGAXYAQSA-N 0 3 391.512 0.653 20 0 GCADHN O=C(CN[C@H](CO)[C@@H]1CCCO1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000447925757 1196760664 /nfs/dbraw/zinc/76/06/64/1196760664.db2.gz ZVWLLPLDLODNGN-MSOLQXFVSA-N 0 3 375.469 0.537 20 0 GCADHN CN1CCN(Cc2ccc(CNC(=O)N[C@@H](CO)[C@@H]3CCCO3)cc2)CC1 ZINC000447968650 1196762481 /nfs/dbraw/zinc/76/24/81/1196762481.db2.gz QZYGZYYIKNDCIR-OALUTQOASA-N 0 3 376.501 0.773 20 0 GCADHN Cc1nc2cc(NC(=O)C(=O)N(CCOCCO)CCN(C)C)ccc2n1C ZINC000527130195 1196765649 /nfs/dbraw/zinc/76/56/49/1196765649.db2.gz FZTNROFUOLSKHG-UHFFFAOYSA-N 0 3 391.472 0.219 20 0 GCADHN Cc1cc(N2CCC(NC(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)n[nH]1 ZINC000527121273 1196767358 /nfs/dbraw/zinc/76/73/58/1196767358.db2.gz TWVCXPILEVATKR-HNNXBMFYSA-N 0 3 377.537 0.870 20 0 GCADHN Cn1nncc1CN[C@H]1CCCCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001088351396 1196772238 /nfs/dbraw/zinc/77/22/38/1196772238.db2.gz AMKNQKKETPAEKU-UOVPBQLFSA-N 0 3 377.489 0.727 20 0 GCADHN C[C@@H]1OCC[C@@]12CN(C(=O)NCCCCN1CCN(CCO)CC1)C[C@@H](C)O2 ZINC000448147921 1196777532 /nfs/dbraw/zinc/77/75/32/1196777532.db2.gz ONXQJXUUDXYDNT-WSTZPKSXSA-N 0 3 398.548 0.354 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000527438701 1196787364 /nfs/dbraw/zinc/78/73/64/1196787364.db2.gz CXWMFPMVBOKCRQ-KBPBESRZSA-N 0 3 376.457 0.856 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)Nc1ccn(CC(F)(F)F)n1 ZINC000448304366 1196790646 /nfs/dbraw/zinc/79/06/46/1196790646.db2.gz XHQAKVVXAJCQKB-UHFFFAOYSA-N 0 3 392.426 0.957 20 0 GCADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000448321825 1196792453 /nfs/dbraw/zinc/79/24/53/1196792453.db2.gz ONTCOLGJWANWDZ-CYBMUJFWSA-N 0 3 382.486 0.660 20 0 GCADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](CO)[C@@H]3CCCO3)c2)CC1 ZINC000448389449 1196796668 /nfs/dbraw/zinc/79/66/68/1196796668.db2.gz RQXFJLWTSMWBQQ-ROUUACIJSA-N 0 3 390.484 0.423 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)CC1 ZINC000448482346 1196806255 /nfs/dbraw/zinc/80/62/55/1196806255.db2.gz VNFSVUFZGCPXOT-MRXNPFEDSA-N 0 3 399.499 0.407 20 0 GCADHN COc1cc(Cl)cc(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)c1 ZINC001271957590 1196817459 /nfs/dbraw/zinc/81/74/59/1196817459.db2.gz ZFYNVSNCEBAWFF-UHFFFAOYSA-N 0 3 381.860 0.964 20 0 GCADHN CCN1CCN(CCCNC(=O)c2cc3c(s2)n(C)c(=O)n(C)c3=O)CC1 ZINC000448693974 1196823973 /nfs/dbraw/zinc/82/39/73/1196823973.db2.gz IGQPGARGBWGWRD-UHFFFAOYSA-N 0 3 393.513 0.056 20 0 GCADHN CN1CCN(c2ccncc2NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000528150741 1196835745 /nfs/dbraw/zinc/83/57/45/1196835745.db2.gz DCWGSQZLKVENES-AWEZNQCLSA-N 0 3 381.502 0.444 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000528357513 1196852108 /nfs/dbraw/zinc/85/21/08/1196852108.db2.gz UGORWMSILCPAQQ-HNNXBMFYSA-N 0 3 388.468 0.714 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(Cn2ccnn2)cc1 ZINC000528354209 1196852694 /nfs/dbraw/zinc/85/26/94/1196852694.db2.gz KKUWNRIZIYGOIF-SFHVURJKSA-N 0 3 384.484 0.999 20 0 GCADHN CCN1CCN(CCNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CC1 ZINC000528373672 1196853267 /nfs/dbraw/zinc/85/32/67/1196853267.db2.gz QAZDZQLATKTBPD-UHFFFAOYSA-N 0 3 392.525 0.438 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000528562126 1196868276 /nfs/dbraw/zinc/86/82/76/1196868276.db2.gz XLNTULBMQFIKMC-QGZVFWFLSA-N 0 3 388.512 0.915 20 0 GCADHN Cc1nc(CC(=O)N2CC[C@@]3(C2)CN(CCN(C)C)C(=O)CO3)c(C)s1 ZINC001271996491 1196868697 /nfs/dbraw/zinc/86/86/97/1196868697.db2.gz WYTGTHSWWFVIFS-GOSISDBHSA-N 0 3 380.514 0.694 20 0 GCADHN Cc1ccc(CN2CCCN(C(=O)CN3C[C@@H](CO)[C@H](CO)C3)CC2)cc1 ZINC000528603868 1196870754 /nfs/dbraw/zinc/87/07/54/1196870754.db2.gz MPOLERAFCMNKEU-PMACEKPBSA-N 0 3 375.513 0.562 20 0 GCADHN CC(C)(CNC(=O)CN1CCC(C)(N2CCOCC2)CC1)N1CCOCC1 ZINC000528728977 1196882950 /nfs/dbraw/zinc/88/29/50/1196882950.db2.gz MLHCNHNPSZJNLU-UHFFFAOYSA-N 0 3 382.549 0.400 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cn3ccnn3)cc2)CC1 ZINC000528843427 1196890723 /nfs/dbraw/zinc/89/07/23/1196890723.db2.gz GWBQMYDBLFMRSI-SFHVURJKSA-N 0 3 382.468 0.705 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000528848463 1196890826 /nfs/dbraw/zinc/89/08/26/1196890826.db2.gz ZGFIVKHFHWAVTM-OAHLLOKOSA-N 0 3 386.452 0.420 20 0 GCADHN CC(C)(CNC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)C(=O)N1CCCC1 ZINC000529381543 1196918988 /nfs/dbraw/zinc/91/89/88/1196918988.db2.gz DQIDYZYEOOBSOK-OAHLLOKOSA-N 0 3 377.493 0.732 20 0 GCADHN COc1ccc(-c2noc(CN3CCN(C(=O)CN4CCCC4)CC3)n2)nn1 ZINC000450347974 1196924913 /nfs/dbraw/zinc/92/49/13/1196924913.db2.gz JMCOJVCJPCKHQG-UHFFFAOYSA-N 0 3 387.444 0.275 20 0 GCADHN NC(=O)[C@H]1CCO[C@@H]1C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000375250496 1196931665 /nfs/dbraw/zinc/93/16/65/1196931665.db2.gz WJLWXVKPIJZNHP-LSDHHAIUSA-N 0 3 378.473 0.453 20 0 GCADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H](CC(C)(C)C(N)=O)C2)n1 ZINC000450634599 1196946302 /nfs/dbraw/zinc/94/63/02/1196946302.db2.gz GPKAVCFXSVBJHA-CYBMUJFWSA-N 0 3 379.509 0.058 20 0 GCADHN COC[C@@]1(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)COc2ccccc2C1 ZINC000529960652 1196954634 /nfs/dbraw/zinc/95/46/34/1196954634.db2.gz MROQGGXAAKBMBL-OXQOHEQNSA-N 0 3 375.469 0.533 20 0 GCADHN O[C@H](CN1CC[C@H](Oc2cccnc2N2CCCC2)C1)CN1CCOCC1 ZINC000451014153 1196965886 /nfs/dbraw/zinc/96/58/86/1196965886.db2.gz CAJWCCMMSUACNQ-ROUUACIJSA-N 0 3 376.501 0.828 20 0 GCADHN O[C@@H](CN1CC[C@H](Oc2cccnc2N2CCCC2)C1)CN1CCOCC1 ZINC000451014150 1196965959 /nfs/dbraw/zinc/96/59/59/1196965959.db2.gz CAJWCCMMSUACNQ-MSOLQXFVSA-N 0 3 376.501 0.828 20 0 GCADHN COc1cc(CNC[C@H]2COCCN2)ccc1OCC(=O)N1CCOCC1 ZINC000530246116 1196970230 /nfs/dbraw/zinc/97/02/30/1196970230.db2.gz CBVCLWJODMOQAD-INIZCTEOSA-N 0 3 379.457 0.011 20 0 GCADHN NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000760139061 1196972087 /nfs/dbraw/zinc/97/20/87/1196972087.db2.gz OCFJUNNNSBGIQY-NVXWUHKLSA-N 0 3 388.468 0.900 20 0 GCADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000451197014 1196979194 /nfs/dbraw/zinc/97/91/94/1196979194.db2.gz XRNOAVDAEDMQNY-LLVKDONJSA-N 0 3 398.407 0.741 20 0 GCADHN COC[C@]1(C(=O)OC)CCN([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000451332820 1196988981 /nfs/dbraw/zinc/98/89/81/1196988981.db2.gz IRDQTXFONJERFB-UZLBHIALSA-N 0 3 390.484 0.630 20 0 GCADHN CO[C@@H]1C[C@H](NCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000451498760 1196995316 /nfs/dbraw/zinc/99/53/16/1196995316.db2.gz NECBZGGQRYBNLN-LVQVYYBASA-N 0 3 388.530 0.584 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000530567275 1196996637 /nfs/dbraw/zinc/99/66/37/1196996637.db2.gz NYLLQSWBHINPMX-OAHLLOKOSA-N 0 3 388.468 0.556 20 0 GCADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)ccc1C ZINC000530567254 1196996708 /nfs/dbraw/zinc/99/67/08/1196996708.db2.gz MAARPRPVRCHDLH-LBPRGKRZSA-N 0 3 382.486 0.300 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC1=O ZINC000530572971 1196997603 /nfs/dbraw/zinc/99/76/03/1196997603.db2.gz ZSMXSUJOCQTGGV-ZDUSSCGKSA-N 0 3 387.440 0.434 20 0 GCADHN CS(=O)(=O)N1CCC(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000530591108 1196998604 /nfs/dbraw/zinc/99/86/04/1196998604.db2.gz GUIGTMPMOLHDRP-INIZCTEOSA-N 0 3 380.514 0.834 20 0 GCADHN CCOC(=O)c1cccc(OC[C@@H](O)CN2C[C@@H](C)N(CCO)[C@@H](C)C2)c1 ZINC000451650242 1197004580 /nfs/dbraw/zinc/00/45/80/1197004580.db2.gz AAWNGLSGSVXTPE-JZXOWHBKSA-N 0 3 380.485 0.990 20 0 GCADHN CCCCn1c(N)c(N(CC)C(=O)CN[C@@H]2CCC[C@H]2OC)c(=O)[nH]c1=O ZINC000451636633 1197005306 /nfs/dbraw/zinc/00/53/06/1197005306.db2.gz ZVJSQUWJGXMDIV-CHWSQXEVSA-N 0 3 381.477 0.841 20 0 GCADHN COC[C@@](C)(O)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000530782370 1197016733 /nfs/dbraw/zinc/01/67/33/1197016733.db2.gz YZTXXZNDXAAVJC-OAQYLSRUSA-N 0 3 391.512 0.871 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c(C)c1 ZINC000530806407 1197017356 /nfs/dbraw/zinc/01/73/56/1197017356.db2.gz QWBSMLCJKVAAQT-CYBMUJFWSA-N 0 3 377.441 0.943 20 0 GCADHN CCN1CCN(CCC(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000530803000 1197017606 /nfs/dbraw/zinc/01/76/06/1197017606.db2.gz LFZMYSUBGNFMIW-SFHVURJKSA-N 0 3 379.549 0.169 20 0 GCADHN CN(C)C(=O)N[C@H]1CCCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000451985110 1197029574 /nfs/dbraw/zinc/02/95/74/1197029574.db2.gz DQQNKZYRJSQKOR-KRWDZBQOSA-N 0 3 388.516 0.856 20 0 GCADHN CN(C)C(=O)N[C@H]1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000451994127 1197032344 /nfs/dbraw/zinc/03/23/44/1197032344.db2.gz NYLVGOMNAOZRAE-INIZCTEOSA-N 0 3 389.504 0.251 20 0 GCADHN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000530972620 1197034005 /nfs/dbraw/zinc/03/40/05/1197034005.db2.gz NJZSNXFIEQLGCO-CYBMUJFWSA-N 0 3 376.457 0.936 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cn(C)nc2-c2cnn(C)c2)CC1 ZINC000375273466 1197034142 /nfs/dbraw/zinc/03/41/42/1197034142.db2.gz BWPNPZYUYOQCPB-UHFFFAOYSA-N 0 3 387.488 0.447 20 0 GCADHN C[C@@H]1CN(CCCCNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C[C@@H](C)O1 ZINC000531014046 1197039256 /nfs/dbraw/zinc/03/92/56/1197039256.db2.gz AXWTWLWWSCWDOU-ZIAGYGMSSA-N 0 3 386.518 0.884 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)C1 ZINC000531044775 1197041782 /nfs/dbraw/zinc/04/17/82/1197041782.db2.gz VACOSYVBJSOMEF-ZDUSSCGKSA-N 0 3 387.440 0.482 20 0 GCADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000531044994 1197041846 /nfs/dbraw/zinc/04/18/46/1197041846.db2.gz HPZWMCPIHJYTPD-CQSZACIVSA-N 0 3 376.457 0.550 20 0 GCADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000531044320 1197042217 /nfs/dbraw/zinc/04/22/17/1197042217.db2.gz AGQBSJHLZKKJGH-AWEZNQCLSA-N 0 3 394.497 0.623 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000452355854 1197053954 /nfs/dbraw/zinc/05/39/54/1197053954.db2.gz ZCKZLQUJEXZJGE-INIZCTEOSA-N 0 3 381.498 0.704 20 0 GCADHN CCNC(=O)COc1ccc(CN[C@@H](CC)C(=O)N2CCOCC2)cc1OC ZINC000531213360 1197056489 /nfs/dbraw/zinc/05/64/89/1197056489.db2.gz QAJNVTSGARZCSN-INIZCTEOSA-N 0 3 393.484 0.937 20 0 GCADHN C[C@@H]1Cc2cc(C(=O)N[C@@H]3CCCN(CCCO)C3)ccc2N1S(C)(=O)=O ZINC000452378716 1197057859 /nfs/dbraw/zinc/05/78/59/1197057859.db2.gz XMBOHTRXLIJCPI-RHSMWYFYSA-N 0 3 395.525 0.974 20 0 GCADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531395771 1197071012 /nfs/dbraw/zinc/07/10/12/1197071012.db2.gz VLAXIDHRQRFQQI-IAGOWNOFSA-N 0 3 380.514 0.834 20 0 GCADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531395773 1197071291 /nfs/dbraw/zinc/07/12/91/1197071291.db2.gz VLAXIDHRQRFQQI-SJORKVTESA-N 0 3 380.514 0.834 20 0 GCADHN CC(=O)NCC1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000531483075 1197078237 /nfs/dbraw/zinc/07/82/37/1197078237.db2.gz IZZMVORPBQIJLF-KRWDZBQOSA-N 0 3 381.521 0.487 20 0 GCADHN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H]3CCCN3CCCO)cnc21 ZINC000452784092 1197080807 /nfs/dbraw/zinc/08/08/07/1197080807.db2.gz NQZJZQLVYNQUJI-CQSZACIVSA-N 0 3 389.456 0.484 20 0 GCADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000531556190 1197083427 /nfs/dbraw/zinc/08/34/27/1197083427.db2.gz MPXPWWJTJFYGTI-SOLBZPMBSA-N 0 3 393.532 0.044 20 0 GCADHN CNC(=O)[C@H](NC(=O)CN(CC(C)(C)O)C1CCOCC1)c1ccccc1 ZINC000531643848 1197089560 /nfs/dbraw/zinc/08/95/60/1197089560.db2.gz JETHYVAERJMYTE-GOSISDBHSA-N 0 3 377.485 0.842 20 0 GCADHN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000453037691 1197094040 /nfs/dbraw/zinc/09/40/40/1197094040.db2.gz PUYWJYYCPFJGOX-YLQAJVPDSA-N 0 3 379.482 0.719 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000531831758 1197099823 /nfs/dbraw/zinc/09/98/23/1197099823.db2.gz DOJCKRXCPDZORL-KRWDZBQOSA-N 0 3 394.541 0.503 20 0 GCADHN CC(C)N1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)C2)CC1 ZINC000531838315 1197100308 /nfs/dbraw/zinc/10/03/08/1197100308.db2.gz VUNZWQQIYAPRER-TVFCKZIOSA-N 0 3 377.533 0.806 20 0 GCADHN Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000531939712 1197104602 /nfs/dbraw/zinc/10/46/02/1197104602.db2.gz OBLVTSBUWWJTAN-ZBFHGGJFSA-N 0 3 376.486 0.982 20 0 GCADHN Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000531939709 1197104729 /nfs/dbraw/zinc/10/47/29/1197104729.db2.gz OBLVTSBUWWJTAN-GDBMZVCRSA-N 0 3 376.486 0.982 20 0 GCADHN CSc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000531993567 1197106628 /nfs/dbraw/zinc/10/66/28/1197106628.db2.gz DFXGJOLZVPIJPC-CQSZACIVSA-N 0 3 391.497 0.507 20 0 GCADHN CN(C)C(=O)CNC(=O)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000453579345 1197111391 /nfs/dbraw/zinc/11/13/91/1197111391.db2.gz JJAPOWIOPHAKBY-UHFFFAOYSA-N 0 3 396.875 0.956 20 0 GCADHN CCOc1ncc(C)cc1NC(=O)C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000453589541 1197112521 /nfs/dbraw/zinc/11/25/21/1197112521.db2.gz FJSSXTJREUHGOW-OAHLLOKOSA-N 0 3 377.489 0.869 20 0 GCADHN C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O)N1CCCC1 ZINC000532099076 1197113515 /nfs/dbraw/zinc/11/35/15/1197113515.db2.gz FSYJLCBZCVEVKG-GFCCVEGCSA-N 0 3 385.461 0.909 20 0 GCADHN Cc1c(Cl)cncc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000453639526 1197115805 /nfs/dbraw/zinc/11/58/05/1197115805.db2.gz RHAMVDKGCLYLIT-UHFFFAOYSA-N 0 3 393.875 0.749 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C ZINC000453643389 1197116184 /nfs/dbraw/zinc/11/61/84/1197116184.db2.gz LENISOXMMDUQNL-AWEZNQCLSA-N 0 3 396.513 0.784 20 0 GCADHN O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000453680872 1197122369 /nfs/dbraw/zinc/12/23/69/1197122369.db2.gz VPRNTKSLJPLAHQ-YJBOKZPZSA-N 0 3 386.452 0.937 20 0 GCADHN Cn1[nH]cnc1=NC(=O)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000453705106 1197124238 /nfs/dbraw/zinc/12/42/38/1197124238.db2.gz XNKIXWRBGZFJNM-HXUWFJFHSA-N 0 3 382.468 0.690 20 0 GCADHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000453712619 1197125340 /nfs/dbraw/zinc/12/53/40/1197125340.db2.gz IEBWTXDZVPDXPR-QGZVFWFLSA-N 0 3 376.457 0.896 20 0 GCADHN COCCCn1cc(C)c(NC(=O)C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)n1 ZINC000453757780 1197131412 /nfs/dbraw/zinc/13/14/12/1197131412.db2.gz GQSQMCDMOZFNRE-ZMSDIMECSA-N 0 3 391.516 1.355 20 0 GCADHN O=C(NC[C@H]1CCCN1CCCO)C(=O)Nc1cc(F)ccc1-n1cccn1 ZINC000453809759 1197134297 /nfs/dbraw/zinc/13/42/97/1197134297.db2.gz VWWJZADRBODDLF-OAHLLOKOSA-N 0 3 389.431 0.913 20 0 GCADHN COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453811236 1197134626 /nfs/dbraw/zinc/13/46/26/1197134626.db2.gz ZZLSVTVKRCDGIV-NSHDSACASA-N 0 3 399.394 0.653 20 0 GCADHN CN(CCN1CCN(C(=O)NCCc2ncn(C)n2)CC1)Cc1ccccc1 ZINC000532291963 1197135101 /nfs/dbraw/zinc/13/51/01/1197135101.db2.gz REMOFFPEUAPNAJ-UHFFFAOYSA-N 0 3 385.516 0.817 20 0 GCADHN O=C(NC[C@@H]1CCCN1CCCO)C(=O)Nc1ccnn1Cc1ccccc1 ZINC000453802721 1197138191 /nfs/dbraw/zinc/13/81/91/1197138191.db2.gz DQQNRFOCYBTCOA-KRWDZBQOSA-N 0 3 385.468 0.833 20 0 GCADHN COC(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000453807097 1197138897 /nfs/dbraw/zinc/13/88/97/1197138897.db2.gz OVYYVAXZCAPSMN-OAHLLOKOSA-N 0 3 377.441 0.683 20 0 GCADHN COC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000453805409 1197138975 /nfs/dbraw/zinc/13/89/75/1197138975.db2.gz KYKNOUCSLASPQE-CYBMUJFWSA-N 0 3 381.404 0.514 20 0 GCADHN COC(=O)c1cc(C)ccc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453808110 1197139189 /nfs/dbraw/zinc/13/91/89/1197139189.db2.gz QJWMSSPHDFRNKX-AWEZNQCLSA-N 0 3 377.441 0.683 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)CN1CCN(C)CC1 ZINC000532341091 1197143266 /nfs/dbraw/zinc/14/32/66/1197143266.db2.gz XXUNEVIVUXMXGM-KRWDZBQOSA-N 0 3 398.511 0.870 20 0 GCADHN CCN1CCN(CCCNC(=O)CSCC(=O)Nc2cc(C)on2)CC1 ZINC000041443705 1197150027 /nfs/dbraw/zinc/15/00/27/1197150027.db2.gz VXEJNGOGIPIINT-UHFFFAOYSA-N 0 3 383.518 0.799 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CN(C)C4CCC4)C[C@H]3C2)C1 ZINC000986183030 1197152008 /nfs/dbraw/zinc/15/20/08/1197152008.db2.gz SVGCWVQFRYJQGY-XLMAVXFVSA-N 0 3 390.528 0.692 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 ZINC000171340435 1197156583 /nfs/dbraw/zinc/15/65/83/1197156583.db2.gz CNLZKCAKXSNYJU-OLZOCXBDSA-N 0 3 390.406 0.210 20 0 GCADHN CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)cc21 ZINC000453917981 1197157892 /nfs/dbraw/zinc/15/78/92/1197157892.db2.gz NCFJNBOIECYULM-MAUKXSAKSA-N 0 3 397.479 0.831 20 0 GCADHN CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C)c(C)c2)C1 ZINC000666041939 1197160838 /nfs/dbraw/zinc/16/08/38/1197160838.db2.gz VKMIGHWFLUIARW-RYRKJORJSA-N 0 3 395.525 0.638 20 0 GCADHN CCN1CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000666041831 1197160909 /nfs/dbraw/zinc/16/09/09/1197160909.db2.gz AHLGBFHVZVKJIU-ZQIUZPCESA-N 0 3 397.497 0.030 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC000986313093 1197164072 /nfs/dbraw/zinc/16/40/72/1197164072.db2.gz PHENZMNONKPNLN-YVSFHVDLSA-N 0 3 379.501 0.582 20 0 GCADHN CCO[C@@H]1C[C@@](N)(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1(C)C ZINC000262818600 1197168552 /nfs/dbraw/zinc/16/85/52/1197168552.db2.gz XKLYYWOWIWFVDE-RZQQEMMASA-N 0 3 380.533 0.674 20 0 GCADHN NS(=O)(=O)c1cc(F)cc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000666052783 1197172313 /nfs/dbraw/zinc/17/23/13/1197172313.db2.gz ZUSDZOCDEVJKEN-AWEZNQCLSA-N 0 3 386.449 0.848 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)C[C@@H]21 ZINC000453920031 1197172613 /nfs/dbraw/zinc/17/26/13/1197172613.db2.gz RCTPQNIHOGLQPN-WBMJQRKESA-N 0 3 389.431 0.846 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F)N1CCC(C)CC1 ZINC000172549799 1197173151 /nfs/dbraw/zinc/17/31/51/1197173151.db2.gz ASJRKLYRRDIXNZ-ZDUSSCGKSA-N 0 3 389.435 0.977 20 0 GCADHN O=C(CN1CC[C@H](CN2CCOCC2)C1)N1CCN(Cc2ccco2)CC1 ZINC000172939269 1197174985 /nfs/dbraw/zinc/17/49/85/1197174985.db2.gz ZWFWNSJYIZSOCO-GOSISDBHSA-N 0 3 376.501 0.578 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1 ZINC000175408777 1197183674 /nfs/dbraw/zinc/18/36/74/1197183674.db2.gz HAUVVZGRWPQPSF-ZDUSSCGKSA-N 0 3 386.518 0.594 20 0 GCADHN Cc1nsc(N2CCCN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)n1 ZINC000175771177 1197185726 /nfs/dbraw/zinc/18/57/26/1197185726.db2.gz ILCTVYDUWLMLEK-OAHLLOKOSA-N 0 3 395.577 0.952 20 0 GCADHN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000177463785 1197189878 /nfs/dbraw/zinc/18/98/78/1197189878.db2.gz FCGXTCURLFVXAO-UHFFFAOYSA-N 0 3 386.456 0.764 20 0 GCADHN O=C(CN1CCN(C2CCOCC2)CC1)N1CCN(Cc2ccco2)CC1 ZINC000177749978 1197190918 /nfs/dbraw/zinc/19/09/18/1197190918.db2.gz VRDWXCNKKYGXNB-UHFFFAOYSA-N 0 3 376.501 0.720 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)NCc2ncnn2C(C)(C)C)CC1 ZINC000508635427 1197192015 /nfs/dbraw/zinc/19/20/15/1197192015.db2.gz WPASQERJKVZAQU-UHFFFAOYSA-N 0 3 379.509 0.729 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000180140315 1197200654 /nfs/dbraw/zinc/20/06/54/1197200654.db2.gz NLCBZBLGGIBYTL-INIZCTEOSA-N 0 3 379.530 0.718 20 0 GCADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)cc2)c1=O ZINC000181030246 1197203355 /nfs/dbraw/zinc/20/33/55/1197203355.db2.gz PKQQTUGAPZTHEV-MRXNPFEDSA-N 0 3 384.440 0.206 20 0 GCADHN CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN1C(=O)CCC1=O)C2 ZINC001719912492 1197205753 /nfs/dbraw/zinc/20/57/53/1197205753.db2.gz IMCWEQUHJYHSNC-KFWWJZLASA-N 0 3 378.473 0.115 20 0 GCADHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)N(CC3CC3)C4=O)C[C@@H]21 ZINC000453926608 1197206632 /nfs/dbraw/zinc/20/66/32/1197206632.db2.gz JZGZSBQOCQDKRI-DYVFJYSZSA-N 0 3 396.447 0.794 20 0 GCADHN CCOC(=O)C1=C(Nc2ccc(C(=O)NC3CCN(C)CC3)nn2)[C@H](C)OC1 ZINC001168156661 1197211022 /nfs/dbraw/zinc/21/10/22/1197211022.db2.gz AWNWEWZYUZOKFR-LBPRGKRZSA-N 0 3 389.456 0.948 20 0 GCADHN COC(=O)c1nc2nc(C)cc(NC[C@H](C(C)C)N3CCN(C)CC3)n2n1 ZINC000610272969 1197211713 /nfs/dbraw/zinc/21/17/13/1197211713.db2.gz WDNIFJDCBYYTEO-CQSZACIVSA-N 0 3 375.477 0.903 20 0 GCADHN Cc1ccc([C@@H](CNC(=O)NCCNS(=O)(=O)NC(C)C)N(C)C)cc1 ZINC000428536609 1197213778 /nfs/dbraw/zinc/21/37/78/1197213778.db2.gz RUXQAJIZWHPTGP-MRXNPFEDSA-N 0 3 385.534 0.729 20 0 GCADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC000986684726 1197216710 /nfs/dbraw/zinc/21/67/10/1197216710.db2.gz WCKRCMRBXPGJQI-ZMMAXQRCSA-N 0 3 393.528 0.829 20 0 GCADHN COc1ccc(-n2cc(CNCCN3CCN(S(C)(=O)=O)CC3)cn2)cc1 ZINC000648447807 1197218507 /nfs/dbraw/zinc/21/85/07/1197218507.db2.gz DTOKNZQCIWXYML-UHFFFAOYSA-N 0 3 393.513 0.548 20 0 GCADHN CC(C)(C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2C1)N1CCCCC1 ZINC000986688429 1197218717 /nfs/dbraw/zinc/21/87/17/1197218717.db2.gz YSIQJPLRNATUSH-TWMKSMIVSA-N 0 3 390.528 0.679 20 0 GCADHN CS[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C[C@H]1N(C)C ZINC000760208334 1197225505 /nfs/dbraw/zinc/22/55/05/1197225505.db2.gz NOHZFJAMZSMDTN-BZUAXINKSA-N 0 3 393.488 0.750 20 0 GCADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000186122759 1197226616 /nfs/dbraw/zinc/22/66/16/1197226616.db2.gz CGFMVANDNLCHSF-DLBZAZTESA-N 0 3 377.537 0.714 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC(COC)COC)cc2)CC1 ZINC000453937231 1197230928 /nfs/dbraw/zinc/23/09/28/1197230928.db2.gz DVEPZDGKJUFNHN-UHFFFAOYSA-N 0 3 392.500 0.540 20 0 GCADHN COc1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1-n1cnnn1 ZINC000666175922 1197231221 /nfs/dbraw/zinc/23/12/21/1197231221.db2.gz IAISREKNJQFBHK-UHFFFAOYSA-N 0 3 390.448 0.155 20 0 GCADHN Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000189121373 1197235559 /nfs/dbraw/zinc/23/55/59/1197235559.db2.gz HQIISZUUYOFEQD-UHFFFAOYSA-N 0 3 385.472 0.294 20 0 GCADHN CC(C)OCCS(=O)(=O)NCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428542704 1197236157 /nfs/dbraw/zinc/23/61/57/1197236157.db2.gz FIJYZUOTMUUJSH-KRWDZBQOSA-N 0 3 399.513 0.536 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)c2cccnc12 ZINC000453953900 1197255671 /nfs/dbraw/zinc/25/56/71/1197255671.db2.gz CKEFFBOJYKVJRA-LBPRGKRZSA-N 0 3 388.424 0.791 20 0 GCADHN Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCCc3[nH]ncc32)ccn1 ZINC000349491954 1197259501 /nfs/dbraw/zinc/25/95/01/1197259501.db2.gz JYNMMCGFHZAKQQ-UHFFFAOYSA-N 0 3 399.498 0.449 20 0 GCADHN O=C(CN1CCN(C(=O)CN2CCCC2)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000532408814 1197262396 /nfs/dbraw/zinc/26/23/96/1197262396.db2.gz AJPQTCVFZRXLLT-GOSISDBHSA-N 0 3 386.496 0.346 20 0 GCADHN CCN1CCN(Cc2ccc(NC(=O)c3cnn(C[C@H](O)CO)c3)cc2)CC1 ZINC000666346074 1197265134 /nfs/dbraw/zinc/26/51/34/1197265134.db2.gz NYMAAFBTQJYJLD-IBGZPJMESA-N 0 3 387.484 0.626 20 0 GCADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1F ZINC000103325767 1197271419 /nfs/dbraw/zinc/27/14/19/1197271419.db2.gz WUVNZJSADAJOEK-UHFFFAOYSA-N 0 3 376.432 0.839 20 0 GCADHN CNS(=O)(=O)N1CCC(c2nc(CC3=N[C@@H]4CCCC[C@H]4N3)no2)CC1 ZINC000350194029 1197271892 /nfs/dbraw/zinc/27/18/92/1197271892.db2.gz VJEGFQDIUKEBCT-CHWSQXEVSA-N 0 3 382.490 0.569 20 0 GCADHN CCC[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)S(N)(=O)=O ZINC000666431587 1197275052 /nfs/dbraw/zinc/27/50/52/1197275052.db2.gz WJYWEJOZKDNSDA-QGZVFWFLSA-N 0 3 382.530 0.507 20 0 GCADHN CC(C)CN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CCN(C)CC1 ZINC000053231980 1197278943 /nfs/dbraw/zinc/27/89/43/1197278943.db2.gz RVDCISMBSAWKHG-RDJZCZTQSA-N 0 3 399.557 0.601 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C3CCC3)C2)CC1 ZINC000666493821 1197282962 /nfs/dbraw/zinc/28/29/62/1197282962.db2.gz GQQLTMLZQMSRQB-KRWDZBQOSA-N 0 3 378.517 0.648 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H](C3CCC3)C2)CC1 ZINC000666500399 1197283510 /nfs/dbraw/zinc/28/35/10/1197283510.db2.gz WBHBQYGGPBBZRI-DLBZAZTESA-N 0 3 376.501 0.400 20 0 GCADHN CN1CCN(CCNS(=O)(=O)c2ccccc2Cn2cncn2)CC1(C)C ZINC000584759155 1197285484 /nfs/dbraw/zinc/28/54/84/1197285484.db2.gz QPXPZUGGAMINLS-UHFFFAOYSA-N 0 3 392.529 0.631 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC000170901110 1197289172 /nfs/dbraw/zinc/28/91/72/1197289172.db2.gz LELWMVCVKSRXKD-UHFFFAOYSA-N 0 3 378.448 0.568 20 0 GCADHN CN(C)CCN(CC1CCCCC1)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000104314925 1197294060 /nfs/dbraw/zinc/29/40/60/1197294060.db2.gz GJQNXRPXPGPIIL-UHFFFAOYSA-N 0 3 385.534 0.891 20 0 GCADHN COC(=O)c1n[nH]c2c1CN(C(=O)C(=O)Nc1cccc(CN(C)C)c1)CC2 ZINC000453977746 1197294160 /nfs/dbraw/zinc/29/41/60/1197294160.db2.gz MUFAUKBPACJSCC-UHFFFAOYSA-N 0 3 385.424 0.781 20 0 GCADHN C[C@@H](C(=O)N1CCCN([C@@H](C)CO)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000470070412 1197298219 /nfs/dbraw/zinc/29/82/19/1197298219.db2.gz GJYLXOMOVHKYMB-JKSUJKDBSA-N 0 3 397.541 0.956 20 0 GCADHN C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)CN1CCN(C)CC1 ZINC000193570276 1197307935 /nfs/dbraw/zinc/30/79/35/1197307935.db2.gz JKPJKKLBLMFPQL-ZWKOTPCHSA-N 0 3 379.549 0.914 20 0 GCADHN CCN1CCN(CCC(=O)N2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)CC1 ZINC000888203965 1197314028 /nfs/dbraw/zinc/31/40/28/1197314028.db2.gz ZBUPCDLEBZDNIG-FQEVSTJZSA-N 0 3 381.517 0.711 20 0 GCADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)c1 ZINC000454059150 1197318013 /nfs/dbraw/zinc/31/80/13/1197318013.db2.gz BZGCDUWHGKVIIO-MRXNPFEDSA-N 0 3 375.473 0.949 20 0 GCADHN CC[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@@H](O)CC ZINC000454048229 1197319129 /nfs/dbraw/zinc/31/91/29/1197319129.db2.gz NUGFJFYRIKCUFT-HIFRSBDPSA-N 0 3 392.456 0.760 20 0 GCADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000454096090 1197324369 /nfs/dbraw/zinc/32/43/69/1197324369.db2.gz MBPKVAIRCNUVSX-CYBMUJFWSA-N 0 3 375.408 0.681 20 0 GCADHN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000104411374 1197325969 /nfs/dbraw/zinc/32/59/69/1197325969.db2.gz KDVBSIDGZSWSNK-FQEVSTJZSA-N 0 3 398.507 0.726 20 0 GCADHN C[C@@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000454107587 1197327549 /nfs/dbraw/zinc/32/75/49/1197327549.db2.gz QUBWIJRTIXTSOV-UKRRQHHQSA-N 0 3 376.457 0.722 20 0 GCADHN C[C@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000454107584 1197327721 /nfs/dbraw/zinc/32/77/21/1197327721.db2.gz QUBWIJRTIXTSOV-DZGCQCFKSA-N 0 3 376.457 0.722 20 0 GCADHN NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000110686058 1197331653 /nfs/dbraw/zinc/33/16/53/1197331653.db2.gz IYSAIHJQSUQWHW-OAHLLOKOSA-N 0 3 384.477 0.385 20 0 GCADHN C[C@H]1OC[C@]2(CC[C@@H](CNC(=O)C(=O)NCCN3CCC(C)CC3)O2)[C@@H]1C ZINC000897450005 1197332932 /nfs/dbraw/zinc/33/29/32/1197332932.db2.gz DSJSBOUMBFYNOB-PDOICOKGSA-N 0 3 381.517 0.923 20 0 GCADHN COC(=O)c1cc(CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)n(C)c1C ZINC000897450198 1197333052 /nfs/dbraw/zinc/33/30/52/1197333052.db2.gz GIELYGZLHVIUNS-ZDUSSCGKSA-N 0 3 378.473 0.584 20 0 GCADHN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)C(=O)NCCN1CCC(C)CC1)O2 ZINC000897450003 1197333168 /nfs/dbraw/zinc/33/31/68/1197333168.db2.gz DSJSBOUMBFYNOB-NHAYFPRASA-N 0 3 381.517 0.923 20 0 GCADHN Cc1cccc(OCCNC(=O)CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000429728537 1197333234 /nfs/dbraw/zinc/33/32/34/1197333234.db2.gz YQFWAAYGBHDWJQ-SJORKVTESA-N 0 3 383.514 0.940 20 0 GCADHN CCN1CCCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000118826670 1197339500 /nfs/dbraw/zinc/33/95/00/1197339500.db2.gz FWINOHPUESZQNE-AWEZNQCLSA-N 0 3 380.514 0.639 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000119293164 1197339874 /nfs/dbraw/zinc/33/98/74/1197339874.db2.gz MRALKZWJKXIMND-AEGPPILISA-N 0 3 384.502 0.901 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000119293164 1197339877 /nfs/dbraw/zinc/33/98/77/1197339877.db2.gz MRALKZWJKXIMND-AEGPPILISA-N 0 3 384.502 0.901 20 0 GCADHN C[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)O1 ZINC000454177079 1197340545 /nfs/dbraw/zinc/34/05/45/1197340545.db2.gz RCBAVHADZAKYON-OCCSQVGLSA-N 0 3 390.440 0.778 20 0 GCADHN CCS(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000666648036 1197342473 /nfs/dbraw/zinc/34/24/73/1197342473.db2.gz UHUFKSWSQDIFIC-ZDUSSCGKSA-N 0 3 396.513 0.650 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000332790587 1197343998 /nfs/dbraw/zinc/34/39/98/1197343998.db2.gz BFEOLWUEJWKVFE-FRQCXROJSA-N 0 3 380.489 0.273 20 0 GCADHN CC(C)[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N1CCOCC1 ZINC000332968031 1197348182 /nfs/dbraw/zinc/34/81/82/1197348182.db2.gz HCHKUJHZDHZZNN-ZWKOTPCHSA-N 0 3 395.548 0.291 20 0 GCADHN Cn1ccnc1C[C@@H]1CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000123859540 1197351846 /nfs/dbraw/zinc/35/18/46/1197351846.db2.gz JOIGPBIRZDWUQB-KRWDZBQOSA-N 0 3 399.495 0.855 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000729618520 1197353536 /nfs/dbraw/zinc/35/35/36/1197353536.db2.gz CKRRGWVEVPYZPM-IAGOWNOFSA-N 0 3 379.505 0.783 20 0 GCADHN Cn1c2[nH]c(CN3CCCN(Cc4ccccc4)CC3)nc2c(=O)n(C)c1=O ZINC000171225822 1197355435 /nfs/dbraw/zinc/35/54/35/1197355435.db2.gz LOLLWFCZZUFJDJ-UHFFFAOYSA-N 0 3 382.468 0.668 20 0 GCADHN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1)O2 ZINC000897475087 1197365800 /nfs/dbraw/zinc/36/58/00/1197365800.db2.gz KDLBKAFXEKVBTO-KDQHYCTGSA-N 0 3 399.557 0.629 20 0 GCADHN CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)cn1)N(C)C ZINC001719919122 1197367056 /nfs/dbraw/zinc/36/70/56/1197367056.db2.gz MDMNYCXRJVWQKA-LNCBFAARSA-N 0 3 375.473 0.228 20 0 GCADHN CCCN(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)NC(=O)NCC ZINC001719919953 1197367405 /nfs/dbraw/zinc/36/74/05/1197367405.db2.gz VGHCACJZSAHZST-KFWWJZLASA-N 0 3 381.521 0.674 20 0 GCADHN CN(C)CCNC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 ZINC000129776335 1197368415 /nfs/dbraw/zinc/36/84/15/1197368415.db2.gz QJVVFSLLFNVIIA-UHFFFAOYSA-N 0 3 381.440 0.733 20 0 GCADHN CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCN(C(N)=O)CC1)N(C)C ZINC001719939763 1197378589 /nfs/dbraw/zinc/37/85/89/1197378589.db2.gz USUBFHMKTCJBTC-WCVJEAGWSA-N 0 3 379.505 0.365 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1=O ZINC000132279528 1197380134 /nfs/dbraw/zinc/38/01/34/1197380134.db2.gz NPHIRFMXSAXDJE-QZTJIDSGSA-N 0 3 386.496 0.704 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000614853259 1197388162 /nfs/dbraw/zinc/38/81/62/1197388162.db2.gz VIMINRAYUHKVTM-ZDUSSCGKSA-N 0 3 397.522 0.795 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000136966378 1197391314 /nfs/dbraw/zinc/39/13/14/1197391314.db2.gz LWZWMFZTJNWOAQ-KRWDZBQOSA-N 0 3 388.516 0.710 20 0 GCADHN C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2cnn(C)c2)CN1Cc1ccccc1 ZINC000137518301 1197392344 /nfs/dbraw/zinc/39/23/44/1197392344.db2.gz PDWIFZBRRLCXDO-GDBMZVCRSA-N 0 3 391.497 0.478 20 0 GCADHN CC(C)c1nnc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000141548108 1197396301 /nfs/dbraw/zinc/39/63/01/1197396301.db2.gz IRIHODUPNLDHMI-ZDUSSCGKSA-N 0 3 380.518 0.838 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](c3nc(N(C)C)no3)C2)CC1=O ZINC000194479601 1197399165 /nfs/dbraw/zinc/39/91/65/1197399165.db2.gz ZPHVKVYBXHXIPW-KGLIPLIRSA-N 0 3 378.477 0.252 20 0 GCADHN CN(C(=O)CCN1CCCS1(=O)=O)C1CCN(CCc2ccccn2)CC1 ZINC000195400043 1197400926 /nfs/dbraw/zinc/40/09/26/1197400926.db2.gz CNIFLXFRKJZGEQ-UHFFFAOYSA-N 0 3 394.541 0.973 20 0 GCADHN O=C(C[C@H]1CNCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000429733261 1197405102 /nfs/dbraw/zinc/40/51/02/1197405102.db2.gz BXVKVGPFWNUIRC-LBPRGKRZSA-N 0 3 389.424 0.176 20 0 GCADHN CCS(=O)(=O)CCCNC(=O)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000419051358 1197409078 /nfs/dbraw/zinc/40/90/78/1197409078.db2.gz BDCVJWOALBRIIJ-MRXNPFEDSA-N 0 3 383.514 0.867 20 0 GCADHN COC(=O)c1csc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000532881644 1197417629 /nfs/dbraw/zinc/41/76/29/1197417629.db2.gz KRSQTZTZBUNWSL-GFCCVEGCSA-N 0 3 382.486 0.473 20 0 GCADHN CN(C)C(=O)N[C@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000454642107 1197424394 /nfs/dbraw/zinc/42/43/94/1197424394.db2.gz FWSFXCCWHOZUMD-JKSUJKDBSA-N 0 3 396.536 0.374 20 0 GCADHN COC[C@@]1(C(=O)OC)CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000454649596 1197424474 /nfs/dbraw/zinc/42/44/74/1197424474.db2.gz LCWZPIURPLUZBH-HNAYVOBHSA-N 0 3 398.504 0.150 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(S(=O)(=O)c3cnn([C@H]4CCOC4)c3)C2)CC1 ZINC000533097817 1197431748 /nfs/dbraw/zinc/43/17/48/1197431748.db2.gz BJNXCDDUEAPKPN-IRXDYDNUSA-N 0 3 397.545 0.634 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(S(=O)(=O)c3cnn([C@@H]4CCOC4)c3)C2)CC1 ZINC000533097815 1197431956 /nfs/dbraw/zinc/43/19/56/1197431956.db2.gz BJNXCDDUEAPKPN-DLBZAZTESA-N 0 3 397.545 0.634 20 0 GCADHN C[C@H](CNC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)CN1CCOCC1 ZINC000245821823 1197433410 /nfs/dbraw/zinc/43/34/10/1197433410.db2.gz DZRGMBQDQVNAGE-MISYRCLQSA-N 0 3 390.528 0.889 20 0 GCADHN COCCn1nc(C)c(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1C ZINC000533136665 1197434483 /nfs/dbraw/zinc/43/44/83/1197434483.db2.gz WRDBIZZTHOWMRE-INIZCTEOSA-N 0 3 395.504 0.654 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000533204003 1197438074 /nfs/dbraw/zinc/43/80/74/1197438074.db2.gz LWUAUNGIIMOMKS-CYBMUJFWSA-N 0 3 396.513 0.863 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cc(C(=O)OC)cs2)CC1 ZINC000533204004 1197438095 /nfs/dbraw/zinc/43/80/95/1197438095.db2.gz LWUAUNGIIMOMKS-ZDUSSCGKSA-N 0 3 396.513 0.863 20 0 GCADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCN2C)C1 ZINC000246044880 1197443856 /nfs/dbraw/zinc/44/38/56/1197443856.db2.gz ZHAAVIIQZSXTGD-LSDHHAIUSA-N 0 3 383.518 0.638 20 0 GCADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000130262839 1197444998 /nfs/dbraw/zinc/44/49/98/1197444998.db2.gz HEZNRIDMCUWEOO-UHFFFAOYSA-N 0 3 382.892 0.785 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000533319972 1197445665 /nfs/dbraw/zinc/44/56/65/1197445665.db2.gz GDHWPTZLNYCOFR-HOTGVXAUSA-N 0 3 393.488 0.427 20 0 GCADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000897514281 1197447565 /nfs/dbraw/zinc/44/75/65/1197447565.db2.gz YJXQVJNMUSEQMJ-MSOLQXFVSA-N 0 3 386.496 0.403 20 0 GCADHN Cc1cccc(C)c1NC(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000130265092 1197449992 /nfs/dbraw/zinc/44/99/92/1197449992.db2.gz CLMGYQUYZKBDEG-UHFFFAOYSA-N 0 3 376.501 0.748 20 0 GCADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(CC(C)(C)O)C1CCOCC1 ZINC000533482268 1197454546 /nfs/dbraw/zinc/45/45/46/1197454546.db2.gz CYBMGNNRKSJCQX-UHFFFAOYSA-N 0 3 399.513 0.833 20 0 GCADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1(CO)CCOCC1 ZINC000533500635 1197455598 /nfs/dbraw/zinc/45/55/98/1197455598.db2.gz IXPSFACHVMWAFZ-UHFFFAOYSA-N 0 3 379.457 0.601 20 0 GCADHN COc1c(F)cc(F)cc1-c1noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001211998102 1197465246 /nfs/dbraw/zinc/46/52/46/1197465246.db2.gz BZHDDBKHMKIAMF-WRWORJQWSA-N 0 3 383.355 0.273 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cc(F)c(Cl)c(F)c2)no1)C(N)=O ZINC001211998171 1197465429 /nfs/dbraw/zinc/46/54/29/1197465429.db2.gz GEMDHRCAPPYKRD-QUBYGPBYSA-N 0 3 387.774 0.918 20 0 GCADHN COc1c(F)cc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)cc1F ZINC001211998045 1197465493 /nfs/dbraw/zinc/46/54/93/1197465493.db2.gz AXIZLJZQIKUUBV-WRWORJQWSA-N 0 3 383.355 0.273 20 0 GCADHN COc1c(C)cc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)cc1C ZINC001211998193 1197465505 /nfs/dbraw/zinc/46/55/05/1197465505.db2.gz HGLMVYXXZCBERR-WCQYABFASA-N 0 3 375.429 0.612 20 0 GCADHN Cc1cc2ccccc2nc1-c1noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001211998467 1197465996 /nfs/dbraw/zinc/46/59/96/1197465996.db2.gz QENQJQSYYLRPSE-SMDDNHRTSA-N 0 3 382.424 0.843 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ncccc2C(F)(F)F)no1)C(N)=O ZINC001211998460 1197465999 /nfs/dbraw/zinc/46/59/99/1197465999.db2.gz PLOSNTIKCNRWFP-IONNQARKSA-N 0 3 386.334 0.400 20 0 GCADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2cnccc2C(F)(F)F)no1)C(N)=O ZINC001211998699 1197466299 /nfs/dbraw/zinc/46/62/99/1197466299.db2.gz XEDRMAFBEHQFSF-OIBJUYFYSA-N 0 3 386.334 0.400 20 0 GCADHN CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 ZINC000069229401 1197468419 /nfs/dbraw/zinc/46/84/19/1197468419.db2.gz OVCPAVQXUVZSON-OALUTQOASA-N 0 3 388.512 0.586 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)NCCN2CCC(C)CC2)ccc1F ZINC000069925305 1197469148 /nfs/dbraw/zinc/46/91/48/1197469148.db2.gz VKBJBGPUZXJMOX-UHFFFAOYSA-N 0 3 389.435 0.896 20 0 GCADHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069855820 1197469190 /nfs/dbraw/zinc/46/91/90/1197469190.db2.gz CTBWQTQKIGDUGV-QWHCGFSZSA-N 0 3 380.411 0.807 20 0 GCADHN Cc1nnnn1-c1cc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)ccc1F ZINC000069925347 1197469217 /nfs/dbraw/zinc/46/92/17/1197469217.db2.gz FDUIBHJUFRDCKT-GFCCVEGCSA-N 0 3 389.435 0.896 20 0 GCADHN COc1ccc(-c2noc([C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)n2)nc1 ZINC001212000768 1197469861 /nfs/dbraw/zinc/46/98/61/1197469861.db2.gz VLNMWPUSVKLIQW-HOCLYGCPSA-N 0 3 399.407 0.565 20 0 GCADHN Cc1cncc(-c2noc([C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)n2)c1 ZINC001212000597 1197469985 /nfs/dbraw/zinc/46/99/85/1197469985.db2.gz OFSQTSDMKAHCSL-HOTGVXAUSA-N 0 3 383.408 0.865 20 0 GCADHN Cc1nc(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)ccc1Br ZINC001212022653 1197475184 /nfs/dbraw/zinc/47/51/84/1197475184.db2.gz AOBVJJXWSQHRBN-WKEGUHRASA-N 0 3 397.233 0.582 20 0 GCADHN CN(CC1CCCCC1)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001482770395 1197489182 /nfs/dbraw/zinc/48/91/82/1197489182.db2.gz RJFCQIUGZONTFW-TVFCKZIOSA-N 0 3 381.517 0.659 20 0 GCADHN COCCN1CCC(NC(=O)C(=O)NC[C@@]2(C)OCCc3ccccc32)CC1 ZINC000897528969 1197491558 /nfs/dbraw/zinc/49/15/58/1197491558.db2.gz DJQDIHSNVYRGNR-OAQYLSRUSA-N 0 3 389.496 0.818 20 0 GCADHN CNS(=O)(=O)c1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)nc1 ZINC000666790046 1197498273 /nfs/dbraw/zinc/49/82/73/1197498273.db2.gz OYWRIKXJXXYABC-ZDUSSCGKSA-N 0 3 383.474 0.365 20 0 GCADHN COc1ccnc(-c2noc([C@@H]3CCCN3C(=O)[C@@H](N)CCC(N)=O)n2)c1F ZINC001212076706 1197501515 /nfs/dbraw/zinc/50/15/15/1197501515.db2.gz POCKOZALBWWKMS-UWVGGRQHSA-N 0 3 392.391 0.536 20 0 GCADHN NC(=O)CC[C@H](N)C(=O)N1CCC[C@H]1c1nc(-c2cccn3ccnc23)no1 ZINC001212076694 1197501689 /nfs/dbraw/zinc/50/16/89/1197501689.db2.gz OTRVYJFQMRNDAN-STQMWFEESA-N 0 3 383.412 0.641 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCCNC(=O)c1ccco1 ZINC000116621621 1197509087 /nfs/dbraw/zinc/50/90/87/1197509087.db2.gz USXQKMRINHQSNM-OAHLLOKOSA-N 0 3 378.473 0.849 20 0 GCADHN CCc1ccccc1NC(=O)CNC(=O)CN1CCNC[C@H]1c1nccn1C ZINC000261652817 1197510257 /nfs/dbraw/zinc/51/02/57/1197510257.db2.gz ACPZZMTWELNARK-KRWDZBQOSA-N 0 3 384.484 0.684 20 0 GCADHN CCc1ccccc1NC(=O)CNC(=O)CN1CCNC[C@@H]1c1nccn1C ZINC000261652823 1197510515 /nfs/dbraw/zinc/51/05/15/1197510515.db2.gz ACPZZMTWELNARK-QGZVFWFLSA-N 0 3 384.484 0.684 20 0 GCADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000261688940 1197511654 /nfs/dbraw/zinc/51/16/54/1197511654.db2.gz DVKKVDVIQCSEAQ-QGZVFWFLSA-N 0 3 388.541 0.772 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000261786443 1197514641 /nfs/dbraw/zinc/51/46/41/1197514641.db2.gz PUAPPEHYCPBUEM-KRWDZBQOSA-N 0 3 382.468 0.897 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000261806478 1197515281 /nfs/dbraw/zinc/51/52/81/1197515281.db2.gz SATFBZUEPQETMK-SFHVURJKSA-N 0 3 379.468 0.869 20 0 GCADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000261854733 1197516380 /nfs/dbraw/zinc/51/63/80/1197516380.db2.gz YLGUMAPTNLJHNN-INIZCTEOSA-N 0 3 388.447 0.414 20 0 GCADHN O=C(NC[C@@H]1CCCN(S(=O)(=O)c2c[n-]c3ncccc23)C1)[C@H]1CCC[NH2+]1 ZINC000261919611 1197519395 /nfs/dbraw/zinc/51/93/95/1197519395.db2.gz UUZVUBFROUFGLR-DZGCQCFKSA-N 0 3 391.497 0.832 20 0 GCADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000262176025 1197526864 /nfs/dbraw/zinc/52/68/64/1197526864.db2.gz QQFXOVRHCFPCLR-INIZCTEOSA-N 0 3 398.866 0.863 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000162356236 1197528058 /nfs/dbraw/zinc/52/80/58/1197528058.db2.gz GCEOHEOSZFDZGB-SFHVURJKSA-N 0 3 392.475 0.559 20 0 GCADHN NC(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000262409624 1197530699 /nfs/dbraw/zinc/53/06/99/1197530699.db2.gz QLOYKDZQRYFDBM-QGZVFWFLSA-N 0 3 387.461 0.562 20 0 GCADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000262464873 1197532539 /nfs/dbraw/zinc/53/25/39/1197532539.db2.gz XRNKWXMILJKWBA-BLLLJJGKSA-N 0 3 377.470 0.090 20 0 GCADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000262464881 1197532586 /nfs/dbraw/zinc/53/25/86/1197532586.db2.gz XRNKWXMILJKWBA-MLGOLLRUSA-N 0 3 377.470 0.090 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)CC1=O ZINC000615098972 1197533389 /nfs/dbraw/zinc/53/33/89/1197533389.db2.gz UQONUFURCCIWQM-DLBZAZTESA-N 0 3 398.573 0.063 20 0 GCADHN O=C(CNS(=O)(=O)c1cccnc1)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000615107629 1197550309 /nfs/dbraw/zinc/55/03/09/1197550309.db2.gz HRPBMTALTJFDDM-INIZCTEOSA-N 0 3 390.465 0.565 20 0 GCADHN Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000508702481 1197553088 /nfs/dbraw/zinc/55/30/88/1197553088.db2.gz DFFMMPKYPSYNHE-OAHLLOKOSA-N 0 3 387.488 0.635 20 0 GCADHN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC1CNC1 ZINC000429748809 1197554613 /nfs/dbraw/zinc/55/46/13/1197554613.db2.gz PEYXKDIZPMJJOE-UHFFFAOYSA-N 0 3 399.469 0.033 20 0 GCADHN Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000508706653 1197554763 /nfs/dbraw/zinc/55/47/63/1197554763.db2.gz PUGLEGBRZMPZNJ-UHFFFAOYSA-N 0 3 398.471 0.207 20 0 GCADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCC(c3ccncn3)CC2)CCSC1 ZINC000421725553 1197555431 /nfs/dbraw/zinc/55/54/31/1197555431.db2.gz JTRWLNCSQVZYSX-SFHVURJKSA-N 0 3 377.514 0.736 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000428634208 1197558573 /nfs/dbraw/zinc/55/85/73/1197558573.db2.gz ZJVVEDMHWRSJDE-MKXGPGLRSA-N 0 3 394.560 0.791 20 0 GCADHN CN(C)CCn1cc(NC(=O)c2coc(S(=O)(=O)N(C)C)c2)ccc1=O ZINC000533780575 1197562796 /nfs/dbraw/zinc/56/27/96/1197562796.db2.gz HANAWXZXWPZDDL-UHFFFAOYSA-N 0 3 382.442 0.506 20 0 GCADHN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)cnn1C ZINC000508720643 1197566228 /nfs/dbraw/zinc/56/62/28/1197566228.db2.gz RRPUZYNPNGLWMK-HFTRVMKXSA-N 0 3 391.516 0.913 20 0 GCADHN Cc1nccn1CCCCNC(=O)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000508729514 1197567227 /nfs/dbraw/zinc/56/72/27/1197567227.db2.gz KCWKQANWHHHLCX-MRXNPFEDSA-N 0 3 391.516 0.800 20 0 GCADHN CCN1CCN(CCC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000508741728 1197568724 /nfs/dbraw/zinc/56/87/24/1197568724.db2.gz ZNWLKWWQPOXSRI-UHFFFAOYSA-N 0 3 376.457 0.556 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000428670247 1197570601 /nfs/dbraw/zinc/57/06/01/1197570601.db2.gz CFTJHWAUBNKCQI-KRWDZBQOSA-N 0 3 397.545 0.955 20 0 GCADHN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)N[C@H]2CCN3CCCC[C@@H]23)cn1 ZINC000332948842 1197574755 /nfs/dbraw/zinc/57/47/55/1197574755.db2.gz ZJJYIAIFPMHGTR-JYJNAYRXSA-N 0 3 381.502 0.528 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000332948661 1197574771 /nfs/dbraw/zinc/57/47/71/1197574771.db2.gz SFHACRSAHDMRSP-CEXWTWQISA-N 0 3 392.544 0.570 20 0 GCADHN Cn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)N[C@H]2CCN3CCCC[C@H]23)cn1 ZINC000332948843 1197574835 /nfs/dbraw/zinc/57/48/35/1197574835.db2.gz ZJJYIAIFPMHGTR-XHSDSOJGSA-N 0 3 381.502 0.528 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000428700394 1197575865 /nfs/dbraw/zinc/57/58/65/1197575865.db2.gz ODNDQUFSHXKVHZ-QGZVFWFLSA-N 0 3 397.545 0.955 20 0 GCADHN CN(C)CC(C)(C)NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000459545136 1197583168 /nfs/dbraw/zinc/58/31/68/1197583168.db2.gz FUAGEPITVMCHAV-UHFFFAOYSA-N 0 3 387.484 0.290 20 0 GCADHN CCc1cc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)n(C)n1 ZINC000536988683 1197587105 /nfs/dbraw/zinc/58/71/05/1197587105.db2.gz KRPBUANLSMQADZ-INIZCTEOSA-N 0 3 376.505 0.548 20 0 GCADHN Cc1ncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C3)[nH]1 ZINC000999558754 1198948391 /nfs/dbraw/zinc/94/83/91/1198948391.db2.gz GBEKPDDVDOCDPR-YQFWSFKMSA-N 0 3 375.473 0.689 20 0 GCADHN Cn1ncc2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3N4C(=O)[C@H]3CCCN3C)cnc21 ZINC000999729141 1198966921 /nfs/dbraw/zinc/96/69/21/1198966921.db2.gz HIWBNFUOIRBNLC-LTIDMASMSA-N 0 3 382.468 0.924 20 0 GCADHN COCCN(C)CCNC(=O)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000672003501 1198999271 /nfs/dbraw/zinc/99/92/71/1198999271.db2.gz LAYAPPGDRVNEGL-UHFFFAOYSA-N 0 3 390.528 0.724 20 0 GCADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2CCN(S(N)(=O)=O)CC2)C1 ZINC000056168644 1199007468 /nfs/dbraw/zinc/00/74/68/1199007468.db2.gz FYZBDPNHIOBKNM-PBHICJAKSA-N 0 3 380.514 0.854 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000465649476 1199008831 /nfs/dbraw/zinc/00/88/31/1199008831.db2.gz BFCSORQXDAHGGF-MRXNPFEDSA-N 0 3 394.520 0.523 20 0 GCADHN CC[C@H](COC)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000265723668 1199022099 /nfs/dbraw/zinc/02/20/99/1199022099.db2.gz UCBFUIOPNXFXEK-GFCCVEGCSA-N 0 3 378.429 0.636 20 0 GCADHN CN1CCC(O)(C(=O)N2CCC3(C[C@H]3C(=O)NCC(F)(F)F)CC2)CC1 ZINC001272837262 1199023332 /nfs/dbraw/zinc/02/33/32/1199023332.db2.gz RLWFCINIFVFYEU-LBPRGKRZSA-N 0 3 377.407 0.750 20 0 GCADHN CCN(CCCNC(=O)NC[C@@H](C)CN1CCN(CC)CC1)S(C)(=O)=O ZINC000465706576 1199025546 /nfs/dbraw/zinc/02/55/46/1199025546.db2.gz YMBSJYNPNGPMBO-MRXNPFEDSA-N 0 3 391.582 0.231 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000542778072 1199038956 /nfs/dbraw/zinc/03/89/56/1199038956.db2.gz WFQPLIQRIYMNBH-UHFFFAOYSA-N 0 3 394.541 0.795 20 0 GCADHN O=C(N[C@H]1CCN(c2cccc(CNCCCO)n2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001128112494 1199051674 /nfs/dbraw/zinc/05/16/74/1199051674.db2.gz KAWUOSRIKXMVTD-UQZKUAJDSA-N 0 3 386.496 0.672 20 0 GCADHN CC(=O)SC[C@@H](C)C(=O)N1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001272879938 1199052442 /nfs/dbraw/zinc/05/24/42/1199052442.db2.gz VOYGBXCQSDCZMK-RDTXWAMCSA-N 0 3 385.530 0.541 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000672062406 1199054820 /nfs/dbraw/zinc/05/48/20/1199054820.db2.gz BCWJXTYYOGDRFP-MRXNPFEDSA-N 0 3 389.500 0.189 20 0 GCADHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000542813858 1199064148 /nfs/dbraw/zinc/06/41/48/1199064148.db2.gz OKLDAZSMTYDCPP-HOCLYGCPSA-N 0 3 386.518 0.059 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000057712982 1199065103 /nfs/dbraw/zinc/06/51/03/1199065103.db2.gz HALPRDDOGVWMOT-ZDUSSCGKSA-N 0 3 377.489 0.446 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000057712982 1199065108 /nfs/dbraw/zinc/06/51/08/1199065108.db2.gz HALPRDDOGVWMOT-ZDUSSCGKSA-N 0 3 377.489 0.446 20 0 GCADHN CC1(C)CN(C2(CNC(=O)NCCN3CCNC(=O)C3)CCCCC2)CCO1 ZINC000542834176 1199071495 /nfs/dbraw/zinc/07/14/95/1199071495.db2.gz BVQMUVJMRKZVIO-UHFFFAOYSA-N 0 3 395.548 0.531 20 0 GCADHN CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1CC[C@H](N3CCCCC3)C1)CC2 ZINC000672083908 1199075431 /nfs/dbraw/zinc/07/54/31/1199075431.db2.gz DZFBETIGLDSLGB-CVEARBPZSA-N 0 3 388.516 0.919 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000465836048 1199080186 /nfs/dbraw/zinc/08/01/86/1199080186.db2.gz JYLXCIRAURJRSP-SFHVURJKSA-N 0 3 391.516 0.835 20 0 GCADHN COCCN1CC[C@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000265731871 1199081542 /nfs/dbraw/zinc/08/15/42/1199081542.db2.gz SHHNFEUDBWDWBO-OALUTQOASA-N 0 3 376.501 0.907 20 0 GCADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N[C@H]2CCN(CCOC)C2)c1 ZINC000265733245 1199085826 /nfs/dbraw/zinc/08/58/26/1199085826.db2.gz KYQLYRDYYTUKMI-HIFRSBDPSA-N 0 3 384.502 0.676 20 0 GCADHN C[C@@H](Cc1ccncc1)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000672111672 1199109644 /nfs/dbraw/zinc/10/96/44/1199109644.db2.gz YNIRFHICNYKTBK-RDJZCZTQSA-N 0 3 389.500 0.188 20 0 GCADHN Cn1nccc1CNC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCCO1 ZINC001078434497 1199129303 /nfs/dbraw/zinc/12/93/03/1199129303.db2.gz JFTFHGOWTKJVQE-XOYOTBSWSA-N 0 3 378.473 0.179 20 0 GCADHN COCCN1CC[C@H](NC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000265764898 1199140016 /nfs/dbraw/zinc/14/00/16/1199140016.db2.gz RNMPGRSSAAPXJV-UONOGXRCSA-N 0 3 381.429 0.175 20 0 GCADHN Cn1cc(C(=O)C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)cn1 ZINC000110855369 1199142740 /nfs/dbraw/zinc/14/27/40/1199142740.db2.gz APNOHPRDGLXRKS-UHFFFAOYSA-N 0 3 383.452 0.745 20 0 GCADHN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[C@@H](N(C)Cc3ccccc3)C1)CC2 ZINC000672169030 1199151281 /nfs/dbraw/zinc/15/12/81/1199151281.db2.gz HGGVUZKCCQOCOW-ZWKOTPCHSA-N 0 3 396.495 0.750 20 0 GCADHN 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/nfs/dbraw/zinc/23/73/74/1199237374.db2.gz FDKJZDZDSFERAW-GDBMZVCRSA-N 0 3 399.495 0.247 20 0 GCADHN COC1(CNC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CCOCC1 ZINC000672588233 1199274895 /nfs/dbraw/zinc/27/48/95/1199274895.db2.gz WZOWMYBAOLBMTD-INIZCTEOSA-N 0 3 377.485 0.935 20 0 GCADHN COC1(CO)CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000672587977 1199274952 /nfs/dbraw/zinc/27/49/52/1199274952.db2.gz ITWMHZGOFPXXRV-INIZCTEOSA-N 0 3 377.485 0.623 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C ZINC001128285612 1199280467 /nfs/dbraw/zinc/28/04/67/1199280467.db2.gz DWKMIJPQSGZXAG-OAGGEKHMSA-N 0 3 384.521 0.811 20 0 GCADHN CC(C)N1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCC2)C3)C1 ZINC001002825208 1199281891 /nfs/dbraw/zinc/28/18/91/1199281891.db2.gz UFQSLVUZXWKAAA-BDXSIMOUSA-N 0 3 378.517 0.440 20 0 GCADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000672697133 1199319026 /nfs/dbraw/zinc/31/90/26/1199319026.db2.gz VYJKCYVMYPVINK-SFHVURJKSA-N 0 3 386.496 0.962 20 0 GCADHN CN(CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000265808066 1199323153 /nfs/dbraw/zinc/32/31/53/1199323153.db2.gz YQRLNSWUUNQUNI-UHFFFAOYSA-N 0 3 387.477 0.677 20 0 GCADHN O=C(NCc1cccc(N2CCOCC2)n1)NC[C@@H]1CCN1C1CCOCC1 ZINC000922053433 1199330186 /nfs/dbraw/zinc/33/01/86/1199330186.db2.gz CRJVSJQUVCURKR-SFHVURJKSA-N 0 3 389.500 0.971 20 0 GCADHN Cc1nn2cccnc2c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCN1C ZINC001002886784 1199331775 /nfs/dbraw/zinc/33/17/75/1199331775.db2.gz BZJJYIPNNVJSOF-WCVJEAGWSA-N 0 3 382.468 0.994 20 0 GCADHN COC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c(F)c1 ZINC000265809036 1199341478 /nfs/dbraw/zinc/34/14/78/1199341478.db2.gz LBMHKQUJGOBYTH-UHFFFAOYSA-N 0 3 380.420 0.305 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncnn1)N1CCCCC1 ZINC001002922801 1199342848 /nfs/dbraw/zinc/34/28/48/1199342848.db2.gz XDBBMPGTVTYJEQ-KFWWJZLASA-N 0 3 375.477 0.186 20 0 GCADHN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000672854428 1199352740 /nfs/dbraw/zinc/35/27/40/1199352740.db2.gz JJIWRXMRJPVOES-KRWDZBQOSA-N 0 3 390.532 0.534 20 0 GCADHN CN1CCN(CCNC(=O)C(=O)N2CCOCC3(CCCC3)C2)CC1(C)C ZINC000672854276 1199353139 /nfs/dbraw/zinc/35/31/39/1199353139.db2.gz GHVGOEZMOUZBGS-UHFFFAOYSA-N 0 3 380.533 0.548 20 0 GCADHN Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000672854429 1199353946 /nfs/dbraw/zinc/35/39/46/1199353946.db2.gz JJIWRXMRJPVOES-QGZVFWFLSA-N 0 3 390.532 0.534 20 0 GCADHN CC(C)C[C@@H]1C[C@H](C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC(=O)N1 ZINC000508908788 1199360731 /nfs/dbraw/zinc/36/07/31/1199360731.db2.gz TYAWMMIGDXEGIH-BBWFWOEESA-N 0 3 380.533 0.986 20 0 GCADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H](C)C1 ZINC000672916702 1199367061 /nfs/dbraw/zinc/36/70/61/1199367061.db2.gz CDHVDZJJWWLHJW-FVQHAEBGSA-N 0 3 378.517 0.694 20 0 GCADHN CN(CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)CCOCCO ZINC000922127130 1199381241 /nfs/dbraw/zinc/38/12/41/1199381241.db2.gz LAYZOWFFRREDHB-UHFFFAOYSA-N 0 3 399.513 0.142 20 0 GCADHN CN(C)Cc1ccccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1nccn1)C2 ZINC001003014688 1199382732 /nfs/dbraw/zinc/38/27/32/1199382732.db2.gz RIPMKMKRPXFSGJ-NXHRZFHOSA-N 0 3 382.468 0.902 20 0 GCADHN CC[C@@H](C)[N@H+](C)CCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000066126859 1199386572 /nfs/dbraw/zinc/38/65/72/1199386572.db2.gz AQVWNEAMFPEVPA-CQSZACIVSA-N 0 3 379.505 0.694 20 0 GCADHN CC[C@@H](C)[N@@H+](C)CCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000066126859 1199386576 /nfs/dbraw/zinc/38/65/76/1199386576.db2.gz AQVWNEAMFPEVPA-CQSZACIVSA-N 0 3 379.505 0.694 20 0 GCADHN CC[C@H](C)[N@H+](C)CCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000066126860 1199386789 /nfs/dbraw/zinc/38/67/89/1199386789.db2.gz AQVWNEAMFPEVPA-AWEZNQCLSA-N 0 3 379.505 0.694 20 0 GCADHN CC[C@H](C)[N@@H+](C)CCNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000066126860 1199386791 /nfs/dbraw/zinc/38/67/91/1199386791.db2.gz AQVWNEAMFPEVPA-AWEZNQCLSA-N 0 3 379.505 0.694 20 0 GCADHN COc1c(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cccc1C(N)=O ZINC000543034464 1199389630 /nfs/dbraw/zinc/38/96/30/1199389630.db2.gz PHMGZQPVGNTNPL-OLZOCXBDSA-N 0 3 376.457 0.969 20 0 GCADHN COC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000066223464 1199391510 /nfs/dbraw/zinc/39/15/10/1199391510.db2.gz XYHRUIAWVDPWRI-HNNXBMFYSA-N 0 3 375.425 0.874 20 0 GCADHN C[C@H]1C[C@@H](NC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CN1C1CC1 ZINC000129880052 1199402352 /nfs/dbraw/zinc/40/23/52/1199402352.db2.gz PVNPXPYIPAIQOO-UONOGXRCSA-N 0 3 384.488 0.820 20 0 GCADHN C[C@H]1C[C@H](NC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CN1C1CC1 ZINC000129879635 1199402568 /nfs/dbraw/zinc/40/25/68/1199402568.db2.gz PVNPXPYIPAIQOO-KBPBESRZSA-N 0 3 384.488 0.820 20 0 GCADHN C[C@H](O)C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000543053673 1199407378 /nfs/dbraw/zinc/40/73/78/1199407378.db2.gz ABHWAGKBIQUNNY-KBPBESRZSA-N 0 3 390.484 0.598 20 0 GCADHN C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCC(C)(C)C2)C1 ZINC001003107296 1199416502 /nfs/dbraw/zinc/41/65/02/1199416502.db2.gz ONQOHKPPLVNQIG-HHARLNAUSA-N 0 3 390.528 0.881 20 0 GCADHN C[C@H](NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CN(C)CCO1 ZINC000673096079 1199417596 /nfs/dbraw/zinc/41/75/96/1199417596.db2.gz XCQKSKFPMPVHFW-MAUKXSAKSA-N 0 3 388.512 0.037 20 0 GCADHN COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000265820521 1199441603 /nfs/dbraw/zinc/44/16/03/1199441603.db2.gz MUHJVOLNVRZYBD-CQSZACIVSA-N 0 3 378.473 0.642 20 0 GCADHN Cc1ccncc1[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000673190318 1199473830 /nfs/dbraw/zinc/47/38/30/1199473830.db2.gz JIQKHMNXPRCXIL-MRXNPFEDSA-N 0 3 387.484 0.334 20 0 GCADHN Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1=O ZINC000543108160 1199479171 /nfs/dbraw/zinc/47/91/71/1199479171.db2.gz RJSFKINGUGAOEZ-IAGOWNOFSA-N 0 3 389.500 0.671 20 0 GCADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000466132166 1199480375 /nfs/dbraw/zinc/48/03/75/1199480375.db2.gz BRSOSBXKUZRSGC-FGTMMUONSA-N 0 3 397.564 0.443 20 0 GCADHN CC1(C)CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[C@@H]2CCNC2=O)C3)C1 ZINC001003292479 1199481448 /nfs/dbraw/zinc/48/14/48/1199481448.db2.gz YOHOWOIHOIPJDY-JJXSEGSLSA-N 0 3 376.501 0.493 20 0 GCADHN CN(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3ccnn31)C2)C1CC1 ZINC001003284272 1199482558 /nfs/dbraw/zinc/48/25/58/1199482558.db2.gz SCYBBUGRNQAJKM-BSXFFOKHSA-N 0 3 382.468 0.931 20 0 GCADHN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnn(C(C)(C)C)n1)C2)N(C)C ZINC001003300912 1199485861 /nfs/dbraw/zinc/48/58/61/1199485861.db2.gz DORDLWFEVTYAOQ-MQYQWHSLSA-N 0 3 377.493 0.630 20 0 GCADHN O=C(NC1CCN(C[C@H](O)CN2CCCC2=O)CC1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001003329696 1199497853 /nfs/dbraw/zinc/49/78/53/1199497853.db2.gz RQAVPSBBNADFGS-PCODUJHASA-N 0 3 379.501 0.365 20 0 GCADHN CC(C)N1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)CC1=O ZINC001003345574 1199502323 /nfs/dbraw/zinc/50/23/23/1199502323.db2.gz HPWWNDBHDWYWJP-HZMVEIRTSA-N 0 3 376.501 0.587 20 0 GCADHN Cn1ccc(CN2CCC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)cc1=O ZINC001003365015 1199505827 /nfs/dbraw/zinc/50/58/27/1199505827.db2.gz OZXTYTLBOHBKNQ-VDZJLULYSA-N 0 3 375.469 0.517 20 0 GCADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CN=NC1=O ZINC001003354512 1199507256 /nfs/dbraw/zinc/50/72/56/1199507256.db2.gz HJPDOZMGOFKHLH-APIJFGDWSA-N 0 3 376.461 0.106 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)C3)CCC1 ZINC001003381389 1199516405 /nfs/dbraw/zinc/51/64/05/1199516405.db2.gz FZDKPJOJDKEKQN-FPCVCCKLSA-N 0 3 376.501 0.587 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000673285534 1199522041 /nfs/dbraw/zinc/52/20/41/1199522041.db2.gz QVLJZUOXHAWRQW-IBGZPJMESA-N 0 3 387.528 0.385 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000673322216 1199542678 /nfs/dbraw/zinc/54/26/78/1199542678.db2.gz FLUBIEXNHFLHCK-AYOQOUSVSA-N 0 3 386.496 0.893 20 0 GCADHN COc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1S(=O)(=O)NC1CC1 ZINC000265832793 1199551193 /nfs/dbraw/zinc/55/11/93/1199551193.db2.gz ORYIGKBLNXRIGM-NSHDSACASA-N 0 3 398.485 0.141 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCC(=O)N2)C3)CC1 ZINC001003464500 1199552980 /nfs/dbraw/zinc/55/29/80/1199552980.db2.gz UXDOXAJSGOZRAX-VQHPVUNQSA-N 0 3 376.501 0.635 20 0 GCADHN COC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000265835147 1199560646 /nfs/dbraw/zinc/56/06/46/1199560646.db2.gz PCMBFLGWLVJBBV-ZDUSSCGKSA-N 0 3 394.447 0.551 20 0 GCADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000673353438 1199568506 /nfs/dbraw/zinc/56/85/06/1199568506.db2.gz QQFIZUJGQNFZPO-MSOLQXFVSA-N 0 3 386.496 0.846 20 0 GCADHN O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000673354581 1199572420 /nfs/dbraw/zinc/57/24/20/1199572420.db2.gz NQVMFKOOTWOSQS-SJORKVTESA-N 0 3 376.501 0.590 20 0 GCADHN CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3n(n1)CCO3)C2)N(C)C ZINC001003511236 1199573269 /nfs/dbraw/zinc/57/32/69/1199573269.db2.gz QDNFECFFNNJLRK-LNCBFAARSA-N 0 3 375.473 0.723 20 0 GCADHN C[C@@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)n1C)C2 ZINC001003540171 1199585084 /nfs/dbraw/zinc/58/50/84/1199585084.db2.gz OGDNOXVMUURQLI-TUVASFSCSA-N 0 3 375.473 0.070 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001003633708 1199607569 /nfs/dbraw/zinc/60/75/69/1199607569.db2.gz SLXQCFBKNMWZRJ-WNRNVDISSA-N 0 3 379.501 0.487 20 0 GCADHN O=C(CCCN1CCN(c2ccccc2)CC1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000116741027 1199628637 /nfs/dbraw/zinc/62/86/37/1199628637.db2.gz MJYMJKSRISZGMI-SFHVURJKSA-N 0 3 384.480 0.995 20 0 GCADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168715914 1199633355 /nfs/dbraw/zinc/63/33/55/1199633355.db2.gz QHGZEYWJXCEPPO-ZJQBRPOHSA-N 0 3 395.887 0.968 20 0 GCADHN Cc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1N1CCCS1(=O)=O ZINC000265845961 1199651345 /nfs/dbraw/zinc/65/13/45/1199651345.db2.gz AHLBAMZDEFBUIK-ZDUSSCGKSA-N 0 3 382.486 0.540 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C3)CCC1 ZINC001003899460 1199701655 /nfs/dbraw/zinc/70/16/55/1199701655.db2.gz QIWROXMNWZPVDC-FPCVCCKLSA-N 0 3 376.501 0.587 20 0 GCADHN CN(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCCCC2=O)C3)CCC1 ZINC001003941969 1199717618 /nfs/dbraw/zinc/71/76/18/1199717618.db2.gz YXFQYPHXFYEVCA-OAGGEKHMSA-N 0 3 376.501 0.731 20 0 GCADHN CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCNC1=O)C2)N(C)C ZINC001003949411 1199721031 /nfs/dbraw/zinc/72/10/31/1199721031.db2.gz CKKWLAQQUYYIIL-AIANPOQGSA-N 0 3 379.505 0.236 20 0 GCADHN O=C(CNC(=O)c1ccccc1OC(F)F)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673510953 1199723648 /nfs/dbraw/zinc/72/36/48/1199723648.db2.gz HHJJTTZETDGEQM-QWHCGFSZSA-N 0 3 383.395 0.685 20 0 GCADHN CN1CCN(CCCNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 ZINC000172970193 1199723757 /nfs/dbraw/zinc/72/37/57/1199723757.db2.gz GGZGOHAWNVCICF-LJQANCHMSA-N 0 3 378.492 0.953 20 0 GCADHN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673511623 1199723967 /nfs/dbraw/zinc/72/39/67/1199723967.db2.gz UNUXZDHRLWEYIV-FGTMMUONSA-N 0 3 388.447 0.572 20 0 GCADHN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000673512582 1199724624 /nfs/dbraw/zinc/72/46/24/1199724624.db2.gz DXOYGXCCKKKUNP-SJORKVTESA-N 0 3 395.525 0.998 20 0 GCADHN CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673518358 1199726259 /nfs/dbraw/zinc/72/62/59/1199726259.db2.gz WUYAAUUHFYPPFU-LSDHHAIUSA-N 0 3 381.498 0.574 20 0 GCADHN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H](N3CC[C@H](O)C3)C1)C2=O ZINC000673517745 1199726353 /nfs/dbraw/zinc/72/63/53/1199726353.db2.gz OCOYQGUODVVNNL-FZTQNYJHSA-N 0 3 392.500 0.545 20 0 GCADHN O=C(NCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)NCc1ccc(Cl)cc1 ZINC000673517481 1199727008 /nfs/dbraw/zinc/72/70/08/1199727008.db2.gz MOVPSCZZWFVREV-HZPDHXFCSA-N 0 3 380.876 0.807 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000673519371 1199727107 /nfs/dbraw/zinc/72/71/07/1199727107.db2.gz KHIPMXXPMMYKSZ-KBPBESRZSA-N 0 3 375.425 0.114 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000673519374 1199727216 /nfs/dbraw/zinc/72/72/16/1199727216.db2.gz KHIPMXXPMMYKSZ-ZIAGYGMSSA-N 0 3 375.425 0.114 20 0 GCADHN O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673513482 1199728329 /nfs/dbraw/zinc/72/83/29/1199728329.db2.gz QCEWXCXDIQAPEI-HZPDHXFCSA-N 0 3 379.482 0.408 20 0 GCADHN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN(C)C)cc1 ZINC000673521349 1199728336 /nfs/dbraw/zinc/72/83/36/1199728336.db2.gz PAPNPPGSQUBZKA-GOEBONIOSA-N 0 3 383.514 0.902 20 0 GCADHN COc1ccc(CN2C[C@H](C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)CC2=O)cc1 ZINC000673516085 1199729147 /nfs/dbraw/zinc/72/91/47/1199729147.db2.gz USMZTNCHGIDTOX-KURKYZTESA-N 0 3 387.480 0.711 20 0 GCADHN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673514984 1199729413 /nfs/dbraw/zinc/72/94/13/1199729413.db2.gz LPCFQKHKJLKGCN-IAGOWNOFSA-N 0 3 395.525 0.997 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 ZINC000673523799 1199730087 /nfs/dbraw/zinc/73/00/87/1199730087.db2.gz LCKRFHADGYQGIO-CQSZACIVSA-N 0 3 392.485 0.198 20 0 GCADHN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N[C@H](CO)CN(C)C)cs2)c1 ZINC000673522920 1199730192 /nfs/dbraw/zinc/73/01/92/1199730192.db2.gz HOUCESQNIQPCMK-ZDUSSCGKSA-N 0 3 392.481 0.991 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000673520665 1199733502 /nfs/dbraw/zinc/73/35/02/1199733502.db2.gz GLFHCRWZKWJQFQ-BIWSTMPVSA-N 0 3 382.505 0.552 20 0 GCADHN CN(C)C[C@@H](CO)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000673520785 1199733637 /nfs/dbraw/zinc/73/36/37/1199733637.db2.gz KOLGSPHFAYJNQI-KRWDZBQOSA-N 0 3 397.541 0.833 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000673520666 1199733645 /nfs/dbraw/zinc/73/36/45/1199733645.db2.gz GLFHCRWZKWJQFQ-SHYRYGCCSA-N 0 3 382.505 0.552 20 0 GCADHN CN(C)C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000673521483 1199733854 /nfs/dbraw/zinc/73/38/54/1199733854.db2.gz CDAQUJMRBBRXLT-CQSZACIVSA-N 0 3 381.454 0.410 20 0 GCADHN CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H](CO)CN(C)C)cc(C(C)C)nc21 ZINC000673522201 1199734042 /nfs/dbraw/zinc/73/40/42/1199734042.db2.gz FHXOUBJNNVGFBQ-NSHDSACASA-N 0 3 377.445 0.293 20 0 GCADHN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N[C@H](CO)CN1CCCC1 ZINC000673531639 1199735155 /nfs/dbraw/zinc/73/51/55/1199735155.db2.gz ORXDVJJTCOBSQS-KRWDZBQOSA-N 0 3 389.500 0.083 20 0 GCADHN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](CO)CN2CCCC2)c1 ZINC000673529684 1199735481 /nfs/dbraw/zinc/73/54/81/1199735481.db2.gz AFFQQNSFJAAWPR-HNNXBMFYSA-N 0 3 399.513 0.106 20 0 GCADHN O=C(COc1ccccc1)N1CCC(C(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC000673529841 1199735816 /nfs/dbraw/zinc/73/58/16/1199735816.db2.gz AFFBMAQKZOKIKB-GOSISDBHSA-N 0 3 389.496 0.877 20 0 GCADHN COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](CO)CN2CCCC2)CC1=O ZINC000673533454 1199741386 /nfs/dbraw/zinc/74/13/86/1199741386.db2.gz MYOVWGFZACIXNC-HOTGVXAUSA-N 0 3 375.469 0.929 20 0 GCADHN COc1ccc(CN2C[C@@H](C(=O)N[C@H](CO)CN3CCCC3)CC2=O)cc1 ZINC000673532541 1199742585 /nfs/dbraw/zinc/74/25/85/1199742585.db2.gz FZTIKBHNEDKUFB-IRXDYDNUSA-N 0 3 375.469 0.617 20 0 GCADHN CC(C)(CN1CCOCC1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000922350820 1199742799 /nfs/dbraw/zinc/74/27/99/1199742799.db2.gz KEVJTVCWYMNHNI-GOSISDBHSA-N 0 3 382.549 0.258 20 0 GCADHN Cc1ncc2n1C[C@H](C(=O)N[C@@H]1CCCN(CCN3CCOCC3)C1)CC2 ZINC000922347854 1199743483 /nfs/dbraw/zinc/74/34/83/1199743483.db2.gz ZRRGCBTWCVJOFC-QZTJIDSGSA-N 0 3 375.517 0.667 20 0 GCADHN C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4nncn4c2)C3)C1 ZINC001004016908 1199749961 /nfs/dbraw/zinc/74/99/61/1199749961.db2.gz MOCZHEBBWULYDN-SVGFKBNWSA-N 0 3 382.468 0.933 20 0 GCADHN COC(=O)[C@H]1CN(C(=O)C(=O)N2CCCN(C(C)C)CC2)c2ccccc2O1 ZINC000069988775 1199753401 /nfs/dbraw/zinc/75/34/01/1199753401.db2.gz HKKLDRGLKAONCS-QGZVFWFLSA-N 0 3 389.452 0.896 20 0 GCADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(N)=O)s1)C2 ZINC001004118260 1199778521 /nfs/dbraw/zinc/77/85/21/1199778521.db2.gz UDKNJNRXIYEFMW-NDBYEHHHSA-N 0 3 376.482 0.803 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153954166 1199781820 /nfs/dbraw/zinc/78/18/20/1199781820.db2.gz NJEGLCHDXINFFS-OAHLLOKOSA-N 0 3 377.489 0.400 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000153954166 1199781823 /nfs/dbraw/zinc/78/18/23/1199781823.db2.gz NJEGLCHDXINFFS-OAHLLOKOSA-N 0 3 377.489 0.400 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)c2c(OC)cccc2OC)CC1=O ZINC000673549980 1199784667 /nfs/dbraw/zinc/78/46/67/1199784667.db2.gz IYMRVOLKUVHEED-CQSZACIVSA-N 0 3 379.457 0.613 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nnc3ccccc3n1)C2 ZINC001004200266 1199809911 /nfs/dbraw/zinc/80/99/11/1199809911.db2.gz VLJYDAJSUBOZSS-VDNDLQMASA-N 0 3 380.452 0.981 20 0 GCADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000499917360 1199812894 /nfs/dbraw/zinc/81/28/94/1199812894.db2.gz FWWNLVRTXLZQEB-OAHLLOKOSA-N 0 3 384.502 0.271 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000499926161 1199814601 /nfs/dbraw/zinc/81/46/01/1199814601.db2.gz ZYDPRWDOMADZGN-KRWDZBQOSA-N 0 3 388.468 0.921 20 0 GCADHN C[C@@H](c1ccccc1)[C@@H](NCCC(=O)N1CCN(c2ncccn2)CC1)C(N)=O ZINC000428880822 1199814694 /nfs/dbraw/zinc/81/46/94/1199814694.db2.gz LYSSASCOCXIEIS-QFBILLFUSA-N 0 3 396.495 0.763 20 0 GCADHN NC(=O)COc1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000265875604 1199834947 /nfs/dbraw/zinc/83/49/47/1199834947.db2.gz ZOMTUVDSQTWZEC-UHFFFAOYSA-N 0 3 388.468 0.966 20 0 GCADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000624954472 1199853405 /nfs/dbraw/zinc/85/34/05/1199853405.db2.gz BQRKFKKOUDOYNX-UHFFFAOYSA-N 0 3 394.541 0.636 20 0 GCADHN CC(C)Oc1cncc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000624952633 1199853537 /nfs/dbraw/zinc/85/35/37/1199853537.db2.gz IYUIOJMPWODXDC-UHFFFAOYSA-N 0 3 396.513 0.798 20 0 GCADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000265889081 1199872238 /nfs/dbraw/zinc/87/22/38/1199872238.db2.gz KZLQJZTXLRBXFZ-QGZVFWFLSA-N 0 3 394.497 0.972 20 0 GCADHN Cc1nc(CN2CCN(C(=O)[C@H](C(C)C)N3C[C@@H](C)O[C@H](C)C3)CC2)n[nH]1 ZINC000125201109 1199873651 /nfs/dbraw/zinc/87/36/51/1199873651.db2.gz VLYUMEVZWLYRRS-RKVPGOIHSA-N 0 3 378.521 0.891 20 0 GCADHN Cc1nc(CN2CCN(C(=O)[C@@H](C(C)C)N3C[C@@H](C)O[C@@H](C)C3)CC2)n[nH]1 ZINC000125200538 1199874037 /nfs/dbraw/zinc/87/40/37/1199874037.db2.gz VLYUMEVZWLYRRS-RVKKMQEKSA-N 0 3 378.521 0.891 20 0 GCADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)CC1 ZINC000173066410 1199879047 /nfs/dbraw/zinc/87/90/47/1199879047.db2.gz UTBTXEYIPOERED-MRXNPFEDSA-N 0 3 399.499 0.914 20 0 GCADHN CN1CCN(C(=N)Nc2ncc(C(=O)N3CCC[C@H]3C(N)=O)cc2Cl)CC1 ZINC001168735551 1199879602 /nfs/dbraw/zinc/87/96/02/1199879602.db2.gz BOASYCXIDMRSTB-ZDUSSCGKSA-N 0 3 393.879 0.419 20 0 GCADHN Cc1ccn2ncc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4C(=O)CN3CCCC3)c2n1 ZINC001004426172 1199880865 /nfs/dbraw/zinc/88/08/65/1199880865.db2.gz PNQHJSBGYLOCNJ-OIISXLGYSA-N 0 3 382.468 0.995 20 0 GCADHN CN1CCN(CCNC(=O)NCc2cccc(S(N)(=O)=O)c2)CC1(C)C ZINC000282398703 1199884754 /nfs/dbraw/zinc/88/47/54/1199884754.db2.gz XDSVVGUJTJWNOK-UHFFFAOYSA-N 0 3 383.518 0.159 20 0 GCADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000509051538 1199886898 /nfs/dbraw/zinc/88/68/98/1199886898.db2.gz BHDXXHGGWALROM-QGZVFWFLSA-N 0 3 396.532 0.274 20 0 GCADHN COC[C@@H](CCO)NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000265898125 1199890845 /nfs/dbraw/zinc/89/08/45/1199890845.db2.gz HBTSXLQYMUZPBN-LJQANCHMSA-N 0 3 378.517 0.891 20 0 GCADHN CC(C)Oc1cncc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000625072545 1199899403 /nfs/dbraw/zinc/89/94/03/1199899403.db2.gz PIEWTHJDOBHHOK-QGZVFWFLSA-N 0 3 396.513 0.796 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC000625083340 1199902020 /nfs/dbraw/zinc/90/20/20/1199902020.db2.gz IDYFEVBDQPEYBW-JXFKEZNVSA-N 0 3 378.517 0.742 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC000625083349 1199902100 /nfs/dbraw/zinc/90/21/00/1199902100.db2.gz IDYFEVBDQPEYBW-UZLBHIALSA-N 0 3 378.517 0.742 20 0 GCADHN COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C2CC2)N(C)C)nn1C ZINC001004629947 1199907665 /nfs/dbraw/zinc/90/76/65/1199907665.db2.gz VVDJVQPKXGQYFJ-LGWLGOQQSA-N 0 3 375.473 0.631 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC000673645055 1199907844 /nfs/dbraw/zinc/90/78/44/1199907844.db2.gz OBLWTLLUHSVHEH-AWEZNQCLSA-N 0 3 384.502 0.950 20 0 GCADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000673645055 1199907846 /nfs/dbraw/zinc/90/78/46/1199907846.db2.gz OBLWTLLUHSVHEH-AWEZNQCLSA-N 0 3 384.502 0.950 20 0 GCADHN O=C(Cn1ncc2cccnc21)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001004687747 1199912974 /nfs/dbraw/zinc/91/29/74/1199912974.db2.gz DBNORQSARBHMIV-ZACQAIPSSA-N 0 3 382.468 0.775 20 0 GCADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccnc1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001004724622 1199917240 /nfs/dbraw/zinc/91/72/40/1199917240.db2.gz IJJJIRSCCBVWNR-MRXPOVGWSA-N 0 3 382.464 0.807 20 0 GCADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@]2(C3CCCC3)CCNC2=O)CC1 ZINC000625239742 1199921301 /nfs/dbraw/zinc/92/13/01/1199921301.db2.gz CGRSNJXYHMVGHS-FQEVSTJZSA-N 0 3 376.501 0.450 20 0 GCADHN Cn1c2ncn(CCN[C@H](Cn3cccn3)c3ccccc3)c2c(=O)n(C)c1=O ZINC000673714658 1199932033 /nfs/dbraw/zinc/93/20/33/1199932033.db2.gz FRDXQYPQHVSGPU-MRXNPFEDSA-N 0 3 393.451 0.661 20 0 GCADHN COc1ncc(C)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000673782631 1199939837 /nfs/dbraw/zinc/93/98/37/1199939837.db2.gz CTZTVTWKQBPKLR-UHFFFAOYSA-N 0 3 389.456 0.104 20 0 GCADHN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000673783806 1199940656 /nfs/dbraw/zinc/94/06/56/1199940656.db2.gz NJYCSMPSQPCZTB-MRXNPFEDSA-N 0 3 399.451 0.277 20 0 GCADHN CCn1nncc1CNC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000625426557 1199952882 /nfs/dbraw/zinc/95/28/82/1199952882.db2.gz SZFYCDBMAPYIAS-QGZVFWFLSA-N 0 3 399.499 0.822 20 0 GCADHN C[C@@H](N[C@H](CC(N)=O)C1CCOCC1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000543490813 1199957472 /nfs/dbraw/zinc/95/74/72/1199957472.db2.gz GMTQUXUSFVILES-IUODEOHRSA-N 0 3 397.497 0.677 20 0 GCADHN O=C(NC[C@@H]1CCN1C1CCCCC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000625451340 1199957851 /nfs/dbraw/zinc/95/78/51/1199957851.db2.gz JWKRDOGMNSPXCR-YESZJQIVSA-N 0 3 376.501 0.779 20 0 GCADHN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000673872560 1199963454 /nfs/dbraw/zinc/96/34/54/1199963454.db2.gz FOCDYTUHXNEWSX-CQSZACIVSA-N 0 3 376.505 0.605 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1csc(N(C)C)n1 ZINC000673876920 1199966935 /nfs/dbraw/zinc/96/69/35/1199966935.db2.gz KGMZCRTTYAZARE-CQSZACIVSA-N 0 3 382.534 0.951 20 0 GCADHN O=C(C[C@@H]1CCCCC(=O)N1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001004810239 1199967544 /nfs/dbraw/zinc/96/75/44/1199967544.db2.gz RRCZGWADDDFQHU-HZMVEIRTSA-N 0 3 376.501 0.779 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc(C(N)=O)c1 ZINC001004815208 1199970044 /nfs/dbraw/zinc/97/00/44/1199970044.db2.gz PSJREFGGRCXFJZ-OIISXLGYSA-N 0 3 381.436 0.921 20 0 GCADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COC1CCOCC1 ZINC001004817354 1199971046 /nfs/dbraw/zinc/97/10/46/1199971046.db2.gz QCNILAJFTFCVDM-XYPHTWIQSA-N 0 3 376.457 0.704 20 0 GCADHN CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000429159384 1199973719 /nfs/dbraw/zinc/97/37/19/1199973719.db2.gz DRIJBRDTASESTE-UHFFFAOYSA-N 0 3 389.566 0.725 20 0 GCADHN Cc1c(C(=O)N2CCc3n[nH]nc3C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000673939755 1199988749 /nfs/dbraw/zinc/98/87/49/1199988749.db2.gz MMTIDIGCBPSLGV-UHFFFAOYSA-N 0 3 378.440 0.880 20 0 GCADHN CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000673942529 1199991088 /nfs/dbraw/zinc/99/10/88/1199991088.db2.gz SQWHZXMLEZLISK-SFHVURJKSA-N 0 3 395.525 0.684 20 0 GCADHN Cn1oc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)N2CCCC2)C3)cc1=O ZINC001004907142 1200004183 /nfs/dbraw/zinc/00/41/83/1200004183.db2.gz VRHMQCGMIDEBNA-MCIONIFRSA-N 0 3 376.457 0.714 20 0 GCADHN COc1nn(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C(C)C)N(C)C ZINC001004906601 1200004253 /nfs/dbraw/zinc/00/42/53/1200004253.db2.gz OQMGSFXEFMXDMZ-DMRZNYOFSA-N 0 3 377.489 0.877 20 0 GCADHN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CO[C@H]1CCOC1)N1CCCC1 ZINC001004914756 1200011235 /nfs/dbraw/zinc/01/12/35/1200011235.db2.gz TZBMJEPPAFRNLV-TWMKSMIVSA-N 0 3 379.501 0.914 20 0 GCADHN COC(=O)c1ccccc1CS(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282475150 1200012179 /nfs/dbraw/zinc/01/21/79/1200012179.db2.gz ITRHQKBBTBGCPO-UHFFFAOYSA-N 0 3 383.514 0.919 20 0 GCADHN CC1CCN(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(=O)n2C)C3)CC1 ZINC001004940897 1200015772 /nfs/dbraw/zinc/01/57/72/1200015772.db2.gz BXVJANIMJCWKGX-KFWWJZLASA-N 0 3 375.473 0.719 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)on1 ZINC000657958174 1200020329 /nfs/dbraw/zinc/02/03/29/1200020329.db2.gz BAWZWJVXVAJBEV-MRXNPFEDSA-N 0 3 375.473 0.324 20 0 GCADHN Cc1cc(CN2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)on1 ZINC000657958173 1200020360 /nfs/dbraw/zinc/02/03/60/1200020360.db2.gz BAWZWJVXVAJBEV-INIZCTEOSA-N 0 3 375.473 0.324 20 0 GCADHN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(N2CCOCC2)CC1 ZINC000625549203 1200028059 /nfs/dbraw/zinc/02/80/59/1200028059.db2.gz PXPZKKTVWCLNHK-KRWDZBQOSA-N 0 3 388.516 0.310 20 0 GCADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000625549354 1200028538 /nfs/dbraw/zinc/02/85/38/1200028538.db2.gz LIZPEXJFGNZFSD-IRXDYDNUSA-N 0 3 378.517 0.979 20 0 GCADHN CN1CCN(CCNS(=O)(=O)c2ccc(N3CCOC3=O)cc2)CC1(C)C ZINC000282479456 1200035376 /nfs/dbraw/zinc/03/53/76/1200035376.db2.gz JACRRMAAVBPPHF-UHFFFAOYSA-N 0 3 396.513 0.948 20 0 GCADHN CN(C)CCN1CC[C@]2(CCCN(C(=O)[C@@H](CO)C(F)(F)F)CC2)C1=O ZINC001273117392 1200041870 /nfs/dbraw/zinc/04/18/70/1200041870.db2.gz JPJYCQUUQVCICT-CZUORRHYSA-N 0 3 379.423 0.950 20 0 GCADHN CCN(CCO)CCNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000470586702 1200056538 /nfs/dbraw/zinc/05/65/38/1200056538.db2.gz IBQWCNHHSMWIKK-INIZCTEOSA-N 0 3 399.513 0.188 20 0 GCADHN CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1NC(=O)CN1CCC(C)(C)C1 ZINC000946775721 1200060363 /nfs/dbraw/zinc/06/03/63/1200060363.db2.gz OKOQMLTVYHNZMZ-MUIFIZLQSA-N 0 3 389.500 0.587 20 0 GCADHN COCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)cn1 ZINC001005063754 1200077372 /nfs/dbraw/zinc/07/73/72/1200077372.db2.gz DQVIBKMFZYFNLP-ZACQAIPSSA-N 0 3 375.473 0.487 20 0 GCADHN O=C(CNC1(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCC1)NC[C@@H]1CCCO1 ZINC001273122425 1200080481 /nfs/dbraw/zinc/08/04/81/1200080481.db2.gz REOUIQCEFSCNNW-NBOOPKSLSA-N 0 3 379.501 0.725 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1=O ZINC000282509829 1200134469 /nfs/dbraw/zinc/13/44/69/1200134469.db2.gz RTIXOVNDFHMFFP-WBVHZDCISA-N 0 3 387.484 0.819 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CCSC1 ZINC000674040794 1200139408 /nfs/dbraw/zinc/13/94/08/1200139408.db2.gz VTJDUMLNVCZOHV-QGZVFWFLSA-N 0 3 378.454 0.510 20 0 GCADHN COc1ccc([C@@H](CNC(=O)CN2C[C@H](O)[C@@H](O)C2)N2CCCCC2)cc1 ZINC000625711987 1200159570 /nfs/dbraw/zinc/15/95/70/1200159570.db2.gz AIWROIRHBJBJCL-QYZOEREBSA-N 0 3 377.485 0.376 20 0 GCADHN CO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000946818226 1200172535 /nfs/dbraw/zinc/17/25/35/1200172535.db2.gz BBXGAVCEARQXDU-KCYZZUKISA-N 0 3 389.500 0.350 20 0 GCADHN CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000674193427 1200194434 /nfs/dbraw/zinc/19/44/34/1200194434.db2.gz ZUPMDWSHAKXMKM-INIZCTEOSA-N 0 3 383.456 0.899 20 0 GCADHN COC1CCN(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)CC1 ZINC000674311613 1200219040 /nfs/dbraw/zinc/21/90/40/1200219040.db2.gz HENNAIQCGSQQOW-YQQAZPJKSA-N 0 3 384.546 0.939 20 0 GCADHN COC1CCN(CCNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000674325614 1200220927 /nfs/dbraw/zinc/22/09/27/1200220927.db2.gz ZQJKQWGFTDOUIF-UHFFFAOYSA-N 0 3 387.477 0.721 20 0 GCADHN COc1cc(OC)cc(C(=O)NCC(=O)NCCN2CCC(OC)CC2)c1 ZINC000674325748 1200221120 /nfs/dbraw/zinc/22/11/20/1200221120.db2.gz DGJWALPOZOLAMC-UHFFFAOYSA-N 0 3 379.457 0.661 20 0 GCADHN CCN(C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001061675106 1200226134 /nfs/dbraw/zinc/22/61/34/1200226134.db2.gz OATBHTGPESOPSE-VVLHAWIVSA-N 0 3 381.517 0.875 20 0 GCADHN COC1CCN(CCNC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000674331487 1200226580 /nfs/dbraw/zinc/22/65/80/1200226580.db2.gz HLLXBOGYRNZIBP-BBRMVZONSA-N 0 3 378.477 0.324 20 0 GCADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000674350912 1200227034 /nfs/dbraw/zinc/22/70/34/1200227034.db2.gz SQIKVDGXDPHNLV-CABCVRRESA-N 0 3 397.497 0.999 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)c2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000171982146 1200249518 /nfs/dbraw/zinc/24/95/18/1200249518.db2.gz JEKRASYTKGCIFM-AWEZNQCLSA-N 0 3 382.530 0.646 20 0 GCADHN CC(C)N(CCCNC(=O)CN[C@@H]1Cc2cccc(O)c2C1)S(C)(=O)=O ZINC000429229793 1200252709 /nfs/dbraw/zinc/25/27/09/1200252709.db2.gz IJWXXQKWOKSNCU-OAHLLOKOSA-N 0 3 383.514 0.625 20 0 GCADHN Cc1ncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C3)[nH]1 ZINC001005337569 1200259674 /nfs/dbraw/zinc/25/96/74/1200259674.db2.gz GBEKPDDVDOCDPR-TXCZRRACSA-N 0 3 375.473 0.689 20 0 GCADHN CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001033969861 1200306205 /nfs/dbraw/zinc/30/62/05/1200306205.db2.gz UXOYDLVVWCKTOX-FPCVCCKLSA-N 0 3 378.473 0.419 20 0 GCADHN O=C(CC[C@H]1NC(=O)NC1=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000674715306 1200310093 /nfs/dbraw/zinc/31/00/93/1200310093.db2.gz VDOJEBORZAQMBH-MRXNPFEDSA-N 0 3 392.431 0.773 20 0 GCADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000674731627 1200312931 /nfs/dbraw/zinc/31/29/31/1200312931.db2.gz GJXZENGYFINOJB-HLLBOEOZSA-N 0 3 382.505 0.119 20 0 GCADHN COc1ccc(F)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000674887687 1200330430 /nfs/dbraw/zinc/33/04/30/1200330430.db2.gz IOEXXHMVOCVDFE-UHFFFAOYSA-N 0 3 392.431 0.539 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674930065 1200335267 /nfs/dbraw/zinc/33/52/67/1200335267.db2.gz YUFXPYMOJSYBMD-ULQDDVLXSA-N 0 3 382.505 0.519 20 0 GCADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674930068 1200335414 /nfs/dbraw/zinc/33/54/14/1200335414.db2.gz YUFXPYMOJSYBMD-YESZJQIVSA-N 0 3 382.505 0.519 20 0 GCADHN CN(CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)CC(C)(C)C ZINC001061737533 1200341585 /nfs/dbraw/zinc/34/15/85/1200341585.db2.gz RGJHTTVVHHLRLK-PITCONLNSA-N 0 3 393.528 0.731 20 0 GCADHN CN(c1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)S(C)(=O)=O ZINC000675124921 1200353323 /nfs/dbraw/zinc/35/33/23/1200353323.db2.gz LNYXAVUWAXOKOR-CQSZACIVSA-N 0 3 394.497 0.621 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@@H](CO)OC[C@H]3C)cc2)CC1 ZINC000766099555 1200364252 /nfs/dbraw/zinc/36/42/52/1200364252.db2.gz WPXRAPLKENMTHU-APWZRJJASA-N 0 3 376.501 0.849 20 0 GCADHN COCCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C1 ZINC000675327573 1200375630 /nfs/dbraw/zinc/37/56/30/1200375630.db2.gz PRSCCUWDMMJZHO-MRXNPFEDSA-N 0 3 397.497 0.222 20 0 GCADHN CC[C@]1(C)CCCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000174196703 1200386170 /nfs/dbraw/zinc/38/61/70/1200386170.db2.gz MPNPISNBQGXSKG-HXUWFJFHSA-N 0 3 380.533 0.502 20 0 GCADHN COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000675539131 1200428610 /nfs/dbraw/zinc/42/86/10/1200428610.db2.gz WRJZTCOKTHATMP-ZDUSSCGKSA-N 0 3 383.470 0.326 20 0 GCADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CCSC1 ZINC000675598486 1200442207 /nfs/dbraw/zinc/44/22/07/1200442207.db2.gz LWIGOJPOTOZQOF-WMLDXEAASA-N 0 3 381.502 0.554 20 0 GCADHN CCc1c(C(=O)NCCN2CCCC[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000130771979 1200453030 /nfs/dbraw/zinc/45/30/30/1200453030.db2.gz XJOPFXZGUNYGGD-ZDUSSCGKSA-N 0 3 387.484 0.799 20 0 GCADHN CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000675709784 1200454591 /nfs/dbraw/zinc/45/45/91/1200454591.db2.gz DFAKZSROJQFFOD-QZTJIDSGSA-N 0 3 381.565 0.955 20 0 GCADHN O=C(N[C@@H]1CN(CCOCC2CC2)C[C@@H]1n1ccnn1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001129059843 1200458954 /nfs/dbraw/zinc/45/89/54/1200458954.db2.gz FSZCMVBPBSZZGG-AHCXZYCDSA-N 0 3 385.472 0.573 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1N1CCNC1=O ZINC000675918454 1200467357 /nfs/dbraw/zinc/46/73/57/1200467357.db2.gz IEVPAGSRNGBOHJ-GOSISDBHSA-N 0 3 399.495 0.903 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)CC1 ZINC000675916787 1200467477 /nfs/dbraw/zinc/46/74/77/1200467477.db2.gz NPROUPAKSOKQSR-JKSUJKDBSA-N 0 3 378.517 0.789 20 0 GCADHN Cn1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(-c2cccnc2)n1 ZINC000675916827 1200467692 /nfs/dbraw/zinc/46/76/92/1200467692.db2.gz PDQQAUSVQFPEHJ-KRWDZBQOSA-N 0 3 382.468 0.861 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000675916565 1200468458 /nfs/dbraw/zinc/46/84/58/1200468458.db2.gz KJRYNAIDGYUFQW-AEFFLSMTSA-N 0 3 399.495 0.195 20 0 GCADHN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1-n1cnnn1 ZINC000675916512 1200468473 /nfs/dbraw/zinc/46/84/73/1200468473.db2.gz JLIPZDIIVHFQLV-KRWDZBQOSA-N 0 3 383.456 0.349 20 0 GCADHN CC[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CC2 ZINC001035213373 1200470015 /nfs/dbraw/zinc/47/00/15/1200470015.db2.gz TWAQASFCIIFOKW-MWDXBVQZSA-N 0 3 379.501 0.616 20 0 GCADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCN2CCCCC2=O)CC1 ZINC000675981233 1200474542 /nfs/dbraw/zinc/47/45/42/1200474542.db2.gz JDNVWISPLQCMQI-MRXNPFEDSA-N 0 3 379.505 0.337 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCCOc2cccnc2)CC1 ZINC000804075992 1200479449 /nfs/dbraw/zinc/47/94/49/1200479449.db2.gz BFNVESAQWHDDTD-UHFFFAOYSA-N 0 3 378.473 0.582 20 0 GCADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCOC2(CCOCC2)C1 ZINC000676048735 1200481566 /nfs/dbraw/zinc/48/15/66/1200481566.db2.gz RWGBGWLJPVXZAZ-MRXNPFEDSA-N 0 3 382.505 0.520 20 0 GCADHN C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)[C@H]1CN(C)CCO1 ZINC000676305706 1200542030 /nfs/dbraw/zinc/54/20/30/1200542030.db2.gz IKYQXLXBZKHDPB-MTFMMBMASA-N 0 3 390.528 0.888 20 0 GCADHN CN(C)S(=O)(=O)c1cccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000676344476 1200545858 /nfs/dbraw/zinc/54/58/58/1200545858.db2.gz NJENPKKLZBKLGU-INIZCTEOSA-N 0 3 381.498 0.920 20 0 GCADHN C[C@@]1(c2cccc(C(=O)NC3CCN([C@@H]4CCOC4)CC3)c2)NC(=O)NC1=O ZINC000676345252 1200546221 /nfs/dbraw/zinc/54/62/21/1200546221.db2.gz NBHPHEMLOWXXSC-UZLBHIALSA-N 0 3 386.452 0.724 20 0 GCADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCC(C)(C)CO)cc21 ZINC000676362087 1200548566 /nfs/dbraw/zinc/54/85/66/1200548566.db2.gz NKKKOKJQIQLXEY-UHFFFAOYSA-N 0 3 378.429 0.229 20 0 GCADHN O=C(CNC(=O)NCc1ccc(F)cc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000676394030 1200554444 /nfs/dbraw/zinc/55/44/44/1200554444.db2.gz WLKHSKIXBSPBHA-QGZVFWFLSA-N 0 3 378.448 0.994 20 0 GCADHN NCc1nc(=O)[n-]n1-c1cc(N2CCC[C@H]([NH3+])C2)nc(Oc2ccccc2)n1 ZINC001168760388 1200565976 /nfs/dbraw/zinc/56/59/76/1200565976.db2.gz JMVFAVJDTUPHFF-LBPRGKRZSA-N 0 3 382.428 0.941 20 0 GCADHN COc1cc(NC(C)=O)ccc1[C@H](C)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000676638960 1200579320 /nfs/dbraw/zinc/57/93/20/1200579320.db2.gz DKLOZILTPODNRN-AWEZNQCLSA-N 0 3 398.529 0.881 20 0 GCADHN CC(C)CCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001129261741 1200593901 /nfs/dbraw/zinc/59/39/01/1200593901.db2.gz IOPBMONYBSKHKN-FXUDXRNXSA-N 0 3 378.477 0.089 20 0 GCADHN CC(C)CCCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129267095 1200597771 /nfs/dbraw/zinc/59/77/71/1200597771.db2.gz XCLQTJUOYOBAAO-HZMVEIRTSA-N 0 3 376.505 0.780 20 0 GCADHN Cn1ccnc1CC1CCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CC1 ZINC000439987158 1200622263 /nfs/dbraw/zinc/62/22/63/1200622263.db2.gz YPVHHNFFALSAJA-UHFFFAOYSA-N 0 3 393.451 1.421 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccnc(OCC(F)(F)F)n1 ZINC000455982724 1200652591 /nfs/dbraw/zinc/65/25/91/1200652591.db2.gz LSMNNYUFRFQWLU-GFCCVEGCSA-N 0 3 390.410 1.565 20 0 GCADHN CN1CC[C@@](O)(CNC(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000460247490 1200687290 /nfs/dbraw/zinc/68/72/90/1200687290.db2.gz OGZAOQGCCJGACV-OAHLLOKOSA-N 0 3 375.395 1.268 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)[nH]1)C2 ZINC001005856836 1200702902 /nfs/dbraw/zinc/70/29/02/1200702902.db2.gz HBGMNVWCBAMHKO-LUYZLQTOSA-N 0 3 375.473 0.862 20 0 GCADHN CCN1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn(C)c(=O)[nH]1)C2 ZINC001005856839 1200703480 /nfs/dbraw/zinc/70/34/80/1200703480.db2.gz HBGMNVWCBAMHKO-VDERGJSUSA-N 0 3 375.473 0.862 20 0 GCADHN CNC(=O)Cn1nc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1C ZINC000519514825 1200708019 /nfs/dbraw/zinc/70/80/19/1200708019.db2.gz PDXBUMPGEVLJSL-CQSZACIVSA-N 0 3 378.477 0.655 20 0 GCADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)C2)CC1 ZINC000543275721 1200734392 /nfs/dbraw/zinc/73/43/92/1200734392.db2.gz WFEXWRWWAHECBN-HNNXBMFYSA-N 0 3 391.520 0.599 20 0 GCADHN O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)Nc1cnc2c(c1)CNCC2 ZINC000648106860 1200750277 /nfs/dbraw/zinc/75/02/77/1200750277.db2.gz CTFMAWCFLXNEFN-UHFFFAOYSA-N 0 3 381.396 1.062 20 0 GCADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)NC(=O)COc1ccccc1 ZINC000509314375 1200804056 /nfs/dbraw/zinc/80/40/56/1200804056.db2.gz OVPCTWUJIWNFNR-IAGOWNOFSA-N 0 3 376.501 0.712 20 0 GCADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000467682096 1200806878 /nfs/dbraw/zinc/80/68/78/1200806878.db2.gz WHKRVCBDASKHCL-CVEARBPZSA-N 0 3 388.468 0.835 20 0 GCADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000370422730 1200823728 /nfs/dbraw/zinc/82/37/28/1200823728.db2.gz GIKWKWJPDYYMBU-IRXDYDNUSA-N 0 3 383.452 0.849 20 0 GCADHN N[C@@H](C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC000509343488 1200865447 /nfs/dbraw/zinc/86/54/47/1200865447.db2.gz KCVBMROFXZKZAE-KBXCAEBGSA-N 0 3 377.441 0.181 20 0 GCADHN Cc1cc(NC(=O)[C@H](C)SCC(=O)NC[C@@]2(O)CN3CCC2CC3)no1 ZINC000552025184 1200896562 /nfs/dbraw/zinc/89/65/62/1200896562.db2.gz CDUBHELDVAFGFR-YVEFUNNKSA-N 0 3 382.486 0.616 20 0 GCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1ccc(OC)nn1 ZINC000556548527 1200899042 /nfs/dbraw/zinc/89/90/42/1200899042.db2.gz PIZBCUYAGVFOPU-MRXNPFEDSA-N 0 3 398.467 1.332 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1 ZINC000498633112 1200900885 /nfs/dbraw/zinc/90/08/85/1200900885.db2.gz FLYJPVQZRHDKCS-INIZCTEOSA-N 0 3 384.484 0.953 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000581578117 1200901175 /nfs/dbraw/zinc/90/11/75/1200901175.db2.gz LOQAVOPWAZOBGY-CQSZACIVSA-N 0 3 376.505 0.626 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)[C@H](C)O)cc1 ZINC000923272874 1200917920 /nfs/dbraw/zinc/91/79/20/1200917920.db2.gz AQRBNHWXMKRVBP-DFGXFYAUSA-N 0 3 395.525 0.718 20 0 GCADHN CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCN(CCCN2C(=O)CNC2=O)CC1 ZINC001006029018 1200929652 /nfs/dbraw/zinc/92/96/52/1200929652.db2.gz NERYUDYIEWYBLC-OAGGEKHMSA-N 0 3 378.473 0.419 20 0 GCADHN CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC001006032587 1200933926 /nfs/dbraw/zinc/93/39/26/1200933926.db2.gz NQYRYIXNUPTSPC-MLHJIOFPSA-N 0 3 379.501 0.460 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)nn1 ZINC000565670797 1200978240 /nfs/dbraw/zinc/97/82/40/1200978240.db2.gz UFGDFNRSUSLJFB-UHFFFAOYSA-N 0 3 393.394 1.292 20 0 GCADHN COc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)nn1 ZINC000551717809 1200978726 /nfs/dbraw/zinc/97/87/26/1200978726.db2.gz CINWGBTWMJQLSG-UHFFFAOYSA-N 0 3 393.394 1.292 20 0 GCADHN C[C@@H](CNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1)CN1CCN(C)CC1 ZINC000605431052 1201053662 /nfs/dbraw/zinc/05/36/62/1201053662.db2.gz HJIHQQHQGPQTPP-LBPRGKRZSA-N 0 3 382.534 0.774 20 0 GCADHN Cn1c(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000535510775 1201065508 /nfs/dbraw/zinc/06/55/08/1201065508.db2.gz KLKAUPCVYCAGFI-UONOGXRCSA-N 0 3 384.440 0.420 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)[C@H]1c1nccn1C ZINC000626042223 1201079088 /nfs/dbraw/zinc/07/90/88/1201079088.db2.gz XBIQMXLPNVGMFP-OMNBBPDLSA-N 0 3 375.473 0.450 20 0 GCADHN CN(C)c1nc(N)nc(C(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)n1 ZINC000614443934 1201081898 /nfs/dbraw/zinc/08/18/98/1201081898.db2.gz SDQFOGZGPBNSHJ-AWEZNQCLSA-N 0 3 393.536 0.853 20 0 GCADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1nc(N)nc(N(C)C)n1 ZINC000593895764 1201091032 /nfs/dbraw/zinc/09/10/32/1201091032.db2.gz ZAVBWVUVIHPNIZ-CYBMUJFWSA-N 0 3 393.492 0.400 20 0 GCADHN CC[C@@H](C)N[C@H](CNC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccco1 ZINC000622047443 1201111400 /nfs/dbraw/zinc/11/14/00/1201111400.db2.gz TTZCXAMWGKNEEU-CHWSQXEVSA-N 0 3 389.460 0.743 20 0 GCADHN CN(C)CCCS(=O)(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000631730044 1201132064 /nfs/dbraw/zinc/13/20/64/1201132064.db2.gz MSAGODJXWDCLLH-UHFFFAOYSA-N 0 3 392.529 0.611 20 0 GCADHN CCCN(CCN1CCCCC1)C(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000579841777 1201132948 /nfs/dbraw/zinc/13/29/48/1201132948.db2.gz ODIQRFITLPEVBV-UHFFFAOYSA-N 0 3 377.493 0.629 20 0 GCADHN CCN1CC[C@H](NCC2(O)CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1=O ZINC000946924189 1201148730 /nfs/dbraw/zinc/14/87/30/1201148730.db2.gz DOYVFYJDDLJNTA-LUKYLMHMSA-N 0 3 379.501 0.365 20 0 GCADHN CCC1(N2CCOCC2)CCN([C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000626087582 1201193174 /nfs/dbraw/zinc/19/31/74/1201193174.db2.gz SOVPNEDHCCFCLK-JKSUJKDBSA-N 0 3 387.546 0.255 20 0 GCADHN COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@H](C)C2)cc1 ZINC000611202645 1201223724 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Cn1cncc1CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cccc(F)c1 ZINC001079198813 1201250110 /nfs/dbraw/zinc/25/01/10/1201250110.db2.gz SVSQUKUHGVOVQT-VSZNYVQBSA-N 0 3 385.443 0.765 20 0 GCADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC2(CCN(Cc3cccnc3)CC2)[C@H]2COC[C@H]21 ZINC001079260801 1201251045 /nfs/dbraw/zinc/25/10/45/1201251045.db2.gz QOBQFAJVRFINQF-VSZNYVQBSA-N 0 3 384.480 0.642 20 0 GCADHN C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC001487442251 1201263998 /nfs/dbraw/zinc/26/39/98/1201263998.db2.gz HJJJEEMVCATREB-QQPKDZIPSA-N 0 3 379.501 0.391 20 0 GCADHN CC(C)[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)N(C)C ZINC001081021471 1201292931 /nfs/dbraw/zinc/29/29/31/1201292931.db2.gz FTSHJHKALJKQLK-NCOADZHNSA-N 0 3 381.517 0.610 20 0 GCADHN CN(C)[C@@H](C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)C1CC1 ZINC001081022486 1201293992 /nfs/dbraw/zinc/29/39/92/1201293992.db2.gz AIMOMHDTVOTONO-WCXIOVBPSA-N 0 3 379.501 0.364 20 0 GCADHN CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCCN(C)CCOC)C2)no1 ZINC000514003586 1201309333 /nfs/dbraw/zinc/30/93/33/1201309333.db2.gz QIUGQGJJZGZNEI-HNNXBMFYSA-N 0 3 396.492 0.343 20 0 GCADHN CO[C@@H]1CN(CCC2CCOCC2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973964 1201314262 /nfs/dbraw/zinc/31/42/62/1201314262.db2.gz ZYWNBZCVYWYXLI-NTZUZEMLSA-N 0 3 382.501 0.670 20 0 GCADHN CCN(CC)CC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001082090652 1201315516 /nfs/dbraw/zinc/31/55/16/1201315516.db2.gz GJVWYYAUCRKSTI-LSTDLKDCSA-N 0 3 381.517 0.877 20 0 GCADHN Cc1nc(CN[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3nccn3C)C[C@H]2C)n[nH]1 ZINC001082569863 1201339515 /nfs/dbraw/zinc/33/95/15/1201339515.db2.gz JUIZIMYIUNGISZ-DNNBLBMLSA-N 0 3 387.488 0.951 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1NCC(=O)N1CCCC1 ZINC001082593774 1201339818 /nfs/dbraw/zinc/33/98/18/1201339818.db2.gz FFBRMQZVFOSUKF-GBOPCIDUSA-N 0 3 393.406 0.392 20 0 GCADHN C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1NCC(=O)N1CCC(C(N)=O)CC1 ZINC001082653831 1201342777 /nfs/dbraw/zinc/34/27/77/1201342777.db2.gz ILZWNQMRIRAOJD-KHTYJDQRSA-N 0 3 376.501 0.337 20 0 GCADHN CC(C)c1nc(CN[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@H]2C)n[nH]1 ZINC001082658085 1201343823 /nfs/dbraw/zinc/34/38/23/1201343823.db2.gz LIZDVBQSQFASCN-RUCLQGLUSA-N 0 3 377.489 0.916 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1NCC(=O)N1CCC(C(N)=O)CC1 ZINC001082797566 1201348895 /nfs/dbraw/zinc/34/88/95/1201348895.db2.gz BPIMZCRVVMHYPU-BVPBIZIASA-N 0 3 390.528 0.583 20 0 GCADHN CCC(=O)N1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCCC2)C1 ZINC001006199254 1201352925 /nfs/dbraw/zinc/35/29/25/1201352925.db2.gz OJEFKBNWRODXSK-VQHPVUNQSA-N 0 3 376.501 0.589 20 0 GCADHN O=C(NCc1ccc(N2CCOCC2)nc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000727471840 1201356824 /nfs/dbraw/zinc/35/68/24/1201356824.db2.gz OMBRJJIILSLKRD-IAGOWNOFSA-N 0 3 375.473 0.581 20 0 GCADHN 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ZINC001084673432 1201433528 /nfs/dbraw/zinc/43/35/28/1201433528.db2.gz XRWQSZIOQBOCGH-YWTNHNAXSA-N 0 3 381.480 0.955 20 0 GCADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)CC(=O)C(F)(F)F)C2 ZINC001273227287 1201439036 /nfs/dbraw/zinc/43/90/36/1201439036.db2.gz JOKGXKAMLYQIHF-HNNXBMFYSA-N 0 3 379.379 0.147 20 0 GCADHN COCCN1CCC[C@H](NC(=O)Cc2c(C)[nH]c3nn(C)c(=O)c-3c2C)C1 ZINC000730285875 1201441338 /nfs/dbraw/zinc/44/13/38/1201441338.db2.gz MCCNCCAWICVSSI-AWEZNQCLSA-N 0 3 375.473 0.648 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000730388635 1201448583 /nfs/dbraw/zinc/44/85/83/1201448583.db2.gz SMHDGUPAXCRQAO-UHFFFAOYSA-N 0 3 377.420 0.987 20 0 GCADHN CC(=O)NCSCCC(=O)N1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001273232443 1201461321 /nfs/dbraw/zinc/46/13/21/1201461321.db2.gz ODBADWRHTHNBEO-GOSISDBHSA-N 0 3 384.546 0.749 20 0 GCADHN Cc1c(C(=O)N(C)CCS(C)(=O)=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000731476319 1201485487 /nfs/dbraw/zinc/48/54/87/1201485487.db2.gz YQJVMQHRNNUYSJ-UHFFFAOYSA-N 0 3 391.497 0.680 20 0 GCADHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)C1 ZINC000731478308 1201486600 /nfs/dbraw/zinc/48/66/00/1201486600.db2.gz AHDVYKZQGQUMOR-CQSZACIVSA-N 0 3 395.463 0.709 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CCN(CCN4CCCC4=O)[C@H]3C2)O1 ZINC001084969972 1201514508 /nfs/dbraw/zinc/51/45/08/1201514508.db2.gz HLWYFHOXVUDOHV-ZJPYXAASSA-N 0 3 378.517 0.251 20 0 GCADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000732067179 1201516444 /nfs/dbraw/zinc/51/64/44/1201516444.db2.gz BJAMPNILXAOZFQ-NSHDSACASA-N 0 3 380.367 0.216 20 0 GCADHN COCCN1CCC(NC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000732884201 1201566140 /nfs/dbraw/zinc/56/61/40/1201566140.db2.gz GVRYKFWVYYSBRH-CYBMUJFWSA-N 0 3 380.411 0.902 20 0 GCADHN CCN1CCN(CCNC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1 ZINC000733161039 1201578272 /nfs/dbraw/zinc/57/82/72/1201578272.db2.gz GWGABWLDQNMSAP-UHFFFAOYSA-N 0 3 388.516 0.565 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000733161170 1201579127 /nfs/dbraw/zinc/57/91/27/1201579127.db2.gz JLSAUUUJEWCSCZ-HNNXBMFYSA-N 0 3 398.529 0.820 20 0 GCADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000733162888 1201579378 /nfs/dbraw/zinc/57/93/78/1201579378.db2.gz WEAQMHUDDLBCDO-OAHLLOKOSA-N 0 3 398.529 0.624 20 0 GCADHN COCCN1CC[C@H](NC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)C1 ZINC000282599779 1201616013 /nfs/dbraw/zinc/61/60/13/1201616013.db2.gz BEJHNFWCORJZOC-DLBZAZTESA-N 0 3 390.484 0.686 20 0 GCADHN CC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCN(C)C(C)(C)C3)ccc21 ZINC000282602953 1201616351 /nfs/dbraw/zinc/61/63/51/1201616351.db2.gz QXIJUEKUBSRHNG-UHFFFAOYSA-N 0 3 394.541 0.900 20 0 GCADHN CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001299315439 1201619248 /nfs/dbraw/zinc/61/92/48/1201619248.db2.gz QRJBEWVGLQKKDU-UHFFFAOYSA-N 0 3 386.566 0.804 20 0 GCADHN C[C@H](NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)C(=O)NCCF ZINC000282669874 1201620270 /nfs/dbraw/zinc/62/02/70/1201620270.db2.gz VQZUYICQYBZMLY-HNNXBMFYSA-N 0 3 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395.529 0.169 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000742238879 1201792972 /nfs/dbraw/zinc/79/29/72/1201792972.db2.gz HPVUJRCARGNAPX-AWEZNQCLSA-N 0 3 377.489 0.860 20 0 GCADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000742238879 1201792974 /nfs/dbraw/zinc/79/29/74/1201792974.db2.gz HPVUJRCARGNAPX-AWEZNQCLSA-N 0 3 377.489 0.860 20 0 GCADHN CC1=NS(=O)(=O)N(C)C=C1C(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC001545679839 1201806899 /nfs/dbraw/zinc/80/68/99/1201806899.db2.gz DDMHUVWGNJEQLX-UHFFFAOYSA-N 0 3 380.470 0.817 20 0 GCADHN O=C(CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1)N1CCNC(=O)C1 ZINC001086157135 1201808131 /nfs/dbraw/zinc/80/81/31/1201808131.db2.gz FOEFLUZZMSBXLW-ZOFXXKQRSA-N 0 3 376.501 0.256 20 0 GCADHN CCc1nc([C@H](C)N[C@H]2C[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n[nH]1 ZINC001086157566 1201808256 /nfs/dbraw/zinc/80/82/56/1201808256.db2.gz WFQPYZKGMGYCAA-DRBMSFERSA-N 0 3 377.489 0.964 20 0 GCADHN Cc1nsc(N2CCCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)n1 ZINC000743385744 1201817055 /nfs/dbraw/zinc/81/70/55/1201817055.db2.gz LTCGGXZQXUGSPL-UHFFFAOYSA-N 0 3 393.517 0.332 20 0 GCADHN C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C(=O)N1c1cnn(C)c1 ZINC000743594421 1201821349 /nfs/dbraw/zinc/82/13/49/1201821349.db2.gz URUMPJPLRKRLLE-VRKREXBASA-N 0 3 376.461 0.076 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)COCCOC)cc2)CC1 ZINC000743940921 1201828123 /nfs/dbraw/zinc/82/81/23/1201828123.db2.gz OKSMBPSDTPNCBT-INIZCTEOSA-N 0 3 392.500 0.935 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000743934762 1201829754 /nfs/dbraw/zinc/82/97/54/1201829754.db2.gz PRADCTATOWEPQA-UHFFFAOYSA-N 0 3 394.863 0.944 20 0 GCADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1 ZINC000743979884 1201831629 /nfs/dbraw/zinc/83/16/29/1201831629.db2.gz IRWIPNONQADOQE-CYBMUJFWSA-N 0 3 390.440 0.128 20 0 GCADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1-n1nnnc1C ZINC000743981508 1201832815 /nfs/dbraw/zinc/83/28/15/1201832815.db2.gz RNBVFIZFKKSDRQ-LBPRGKRZSA-N 0 3 387.444 0.518 20 0 GCADHN Cn1cc(N2CCC[C@H](OC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)C2=O)cn1 ZINC000744692231 1201851461 /nfs/dbraw/zinc/85/14/61/1201851461.db2.gz NRRUYXWOBIEXEF-SRVKXCTJSA-N 0 3 388.346 0.916 20 0 GCADHN Cc1ccc([C@@H](C)NCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000182313082 1201869283 /nfs/dbraw/zinc/86/92/83/1201869283.db2.gz HRCJXVFLMQHDRN-GOSISDBHSA-N 0 3 388.512 0.649 20 0 GCADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC(NC(=O)C2CC2)CC1 ZINC000745456028 1201876424 /nfs/dbraw/zinc/87/64/24/1201876424.db2.gz OLWSLNCGCIUWHA-LFIBNONCSA-N 0 3 381.498 0.957 20 0 GCADHN COc1ccc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001086437188 1201876657 /nfs/dbraw/zinc/87/66/57/1201876657.db2.gz OOYIBKBMQZSUFP-WSLKZVHASA-N 0 3 376.457 0.521 20 0 GCADHN CCc1nc([C@H](C)N[C@H]2C[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n[nH]1 ZINC001086437333 1201876707 /nfs/dbraw/zinc/87/67/07/1201876707.db2.gz WFQPYZKGMGYCAA-YGYYXPQVSA-N 0 3 377.489 0.964 20 0 GCADHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000745800671 1201891017 /nfs/dbraw/zinc/89/10/17/1201891017.db2.gz CQVFGARWVKXCIL-BXWFABGCSA-N 0 3 399.495 0.987 20 0 GCADHN COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000745862136 1201891950 /nfs/dbraw/zinc/89/19/50/1201891950.db2.gz HDCRLEZYMSGXLH-MAUKXSAKSA-N 0 3 394.516 0.920 20 0 GCADHN CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C2)N1CCCCC1 ZINC001006316485 1201894638 /nfs/dbraw/zinc/89/46/38/1201894638.db2.gz BIZYVHPHJQWQRM-LJIZCISZSA-N 0 3 376.501 0.620 20 0 GCADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000746046067 1201897351 /nfs/dbraw/zinc/89/73/51/1201897351.db2.gz MCPRGMIZJOMENR-ZDUSSCGKSA-N 0 3 398.485 0.265 20 0 GCADHN CN(C)CCN1C[C@@H](C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)CC1=O ZINC000746208618 1201902995 /nfs/dbraw/zinc/90/29/95/1201902995.db2.gz NBKIWIAGYPTHCV-AWEZNQCLSA-N 0 3 382.505 0.912 20 0 GCADHN 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383.452 0.163 20 0 GCADHN O=C(CCNC(=O)c1ccsc1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103123142 1201917753 /nfs/dbraw/zinc/91/77/53/1201917753.db2.gz RPRRUTNPODHBMZ-UHFFFAOYSA-N 0 3 378.498 0.635 20 0 GCADHN O=C(CCNC(=O)c1cccs1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103123698 1201917792 /nfs/dbraw/zinc/91/77/92/1201917792.db2.gz BOJKJUXSACNWAK-UHFFFAOYSA-N 0 3 378.498 0.635 20 0 GCADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000746406580 1201918987 /nfs/dbraw/zinc/91/89/87/1201918987.db2.gz KZSQRMVBIRZGET-DLBZAZTESA-N 0 3 384.440 0.244 20 0 GCADHN CC(C)CN1N=C(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CCC1=O ZINC000766435266 1201924437 /nfs/dbraw/zinc/92/44/37/1201924437.db2.gz CGQWSWXGKVSMFG-INIZCTEOSA-N 0 3 377.489 0.386 20 0 GCADHN O=C(CN1CCN(CCCCO)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000746484306 1201927060 /nfs/dbraw/zinc/92/70/60/1201927060.db2.gz PKXUCTALGCLPMI-UHFFFAOYSA-N 0 3 396.576 0.528 20 0 GCADHN CN(CC(F)F)C1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000746482886 1201927099 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CCc1nn(C)c(CC)c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC ZINC001109414066 1202041065 /nfs/dbraw/zinc/04/10/65/1202041065.db2.gz WKCFRHRRKPSXSP-GNSPCKGOSA-N 0 3 378.517 0.816 20 0 GCADHN CCS(=O)(=O)NCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C2 ZINC001109419566 1202041963 /nfs/dbraw/zinc/04/19/63/1202041963.db2.gz VZQFYILFMKAIGZ-NPCUJANDSA-N 0 3 395.529 0.564 20 0 GCADHN CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCC(F)(F)F ZINC001109429358 1202046902 /nfs/dbraw/zinc/04/69/02/1202046902.db2.gz VPOWFOFFKRFHLY-RHYQMDGZSA-N 0 3 381.395 0.159 20 0 GCADHN C[C@H](CNC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)N1CCN(C)CC1 ZINC000769207472 1202050751 /nfs/dbraw/zinc/05/07/51/1202050751.db2.gz STIWOZJVENBNDE-MRXNPFEDSA-N 0 3 397.564 0.728 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1ccnc(OC)c1)C2 ZINC001109443763 1202052503 /nfs/dbraw/zinc/05/25/03/1202052503.db2.gz DJPQUMPZLYUBSP-NCOADZHNSA-N 0 3 379.457 0.336 20 0 GCADHN CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NCC(C)C)N(C)C ZINC001109447364 1202053444 /nfs/dbraw/zinc/05/34/44/1202053444.db2.gz INVKOCRHGAREKQ-QXSJWSMHSA-N 0 3 381.521 0.530 20 0 GCADHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC1CC1 ZINC001109466044 1202056765 /nfs/dbraw/zinc/05/67/65/1202056765.db2.gz HEDJCPFRJAWIHG-ILXRZTDVSA-N 0 3 379.505 0.426 20 0 GCADHN CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnc2n1CCOC2 ZINC001109466339 1202056885 /nfs/dbraw/zinc/05/68/85/1202056885.db2.gz WHOGICUCGQQLOK-ILXRZTDVSA-N 0 3 376.505 0.760 20 0 GCADHN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000769583293 1202063309 /nfs/dbraw/zinc/06/33/09/1202063309.db2.gz MAGIHEBKPIFREZ-IRXDYDNUSA-N 0 3 380.514 0.963 20 0 GCADHN NS(=O)(=O)C[C@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000769587451 1202063590 /nfs/dbraw/zinc/06/35/90/1202063590.db2.gz SFHCDUUDZBSKAX-GOSISDBHSA-N 0 3 394.541 0.868 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cccnc1)C2 ZINC001109494654 1202065768 /nfs/dbraw/zinc/06/57/68/1202065768.db2.gz KFRNGAPGDFJOQU-YRXWBPOGSA-N 0 3 377.485 0.760 20 0 GCADHN NC(=O)c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@@H]2CCOC2)o1 ZINC001109503911 1202067766 /nfs/dbraw/zinc/06/77/66/1202067766.db2.gz YSCURLWEJMUZEO-KBXIAJHMSA-N 0 3 377.441 0.909 20 0 GCADHN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)nn1C)C2 ZINC001109514550 1202070047 /nfs/dbraw/zinc/07/00/47/1202070047.db2.gz OQDBRDOYLDSUTG-NJAFHUGGSA-N 0 3 377.489 0.145 20 0 GCADHN CCOC(=O)C1=C(CN[C@@H]2CCCC[C@H]2N2CCOCC2)NC(=O)N[C@@H]1C ZINC000769798336 1202071990 /nfs/dbraw/zinc/07/19/90/1202071990.db2.gz AHLAIFIESBWEME-IIAWOOMASA-N 0 3 380.489 0.738 20 0 GCADHN CCN(C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001109538700 1202076174 /nfs/dbraw/zinc/07/61/74/1202076174.db2.gz OQHLXBRBTMHELM-FXNRMWDQSA-N 0 3 376.501 0.049 20 0 GCADHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nccn1C)C2 ZINC001109549100 1202076925 /nfs/dbraw/zinc/07/69/25/1202076925.db2.gz JFTYWMFDEZVQKY-QZWWFDLISA-N 0 3 380.489 0.098 20 0 GCADHN CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555570 1202079871 /nfs/dbraw/zinc/07/98/71/1202079871.db2.gz VXYMZVOUIPVLDP-WBTNSWJXSA-N 0 3 377.489 0.038 20 0 GCADHN CCOC(=O)N1CC[C@@H](NCc2cc(OC)c(OCC(N)=O)c(OC)c2)C1 ZINC000769939193 1202079958 /nfs/dbraw/zinc/07/99/58/1202079958.db2.gz NMFZMGASPZFUDO-CYBMUJFWSA-N 0 3 381.429 0.888 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCN(C(=O)C(C)C)CC1)C2 ZINC001109585333 1202085711 /nfs/dbraw/zinc/08/57/11/1202085711.db2.gz PPGNZHGSZJPFLI-OWSLCNJRSA-N 0 3 381.517 0.610 20 0 GCADHN COC(=O)CC(C)(C)NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000770196022 1202087791 /nfs/dbraw/zinc/08/77/91/1202087791.db2.gz VXEVAZLWMSVWRU-KBPBESRZSA-N 0 3 390.502 0.112 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ncccc1F)C2 ZINC001109642770 1202095750 /nfs/dbraw/zinc/09/57/50/1202095750.db2.gz VKNFELKRTQOKQI-KNCCTNLNSA-N 0 3 381.448 0.509 20 0 GCADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000770443420 1202098725 /nfs/dbraw/zinc/09/87/25/1202098725.db2.gz QZCMTFBFTGFPIS-GJZGRUSLSA-N 0 3 389.566 0.453 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(=O)c1ccccc1)C2 ZINC001109665886 1202100834 /nfs/dbraw/zinc/10/08/34/1202100834.db2.gz FCLYVROWYRDUGK-BDXSIMOUSA-N 0 3 375.469 0.487 20 0 GCADHN CC(C)CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)C2 ZINC001109660053 1202101506 /nfs/dbraw/zinc/10/15/06/1202101506.db2.gz SUTPDOMSDRZNCL-PMPSAXMXSA-N 0 3 375.535 0.839 20 0 GCADHN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC(C)C ZINC001109671453 1202103274 /nfs/dbraw/zinc/10/32/74/1202103274.db2.gz JZQWQKTWQLLLTC-OWSLCNJRSA-N 0 3 377.489 0.603 20 0 GCADHN CCCCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001109688555 1202104661 /nfs/dbraw/zinc/10/46/61/1202104661.db2.gz VMRFOQJNEVTLSJ-WXHSDQCUSA-N 0 3 380.424 0.510 20 0 GCADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC2(CCN(CCOCCO)CC2)O1 ZINC001111550984 1202110683 /nfs/dbraw/zinc/11/06/83/1202110683.db2.gz PGWJEEXVTQXFHS-TVFCKZIOSA-N 0 3 382.501 0.645 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CN3CCCC3)on1)C2 ZINC001109720254 1202111334 /nfs/dbraw/zinc/11/13/34/1202111334.db2.gz XYSAIPNUISZUMF-OAOQPFQOSA-N 0 3 378.473 0.613 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CN3CCCC3)on1)C2 ZINC001109720253 1202111372 /nfs/dbraw/zinc/11/13/72/1202111372.db2.gz XYSAIPNUISZUMF-DEICHXMPSA-N 0 3 378.473 0.613 20 0 GCADHN Cc1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c(N(C)C)n1 ZINC000770802994 1202113860 /nfs/dbraw/zinc/11/38/60/1202113860.db2.gz SJEJYRFTVLCNBP-HNNXBMFYSA-N 0 3 376.505 0.537 20 0 GCADHN CC(C)(NS(C)(=O)=O)c1noc([C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000770918388 1202118949 /nfs/dbraw/zinc/11/89/49/1202118949.db2.gz SWILBAIGEYEPTD-QGZVFWFLSA-N 0 3 380.470 0.947 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)[nH]c1=O)C2 ZINC001109762665 1202119359 /nfs/dbraw/zinc/11/93/59/1202119359.db2.gz ZPPRBFUIOJXCES-JHNDHUHGSA-N 0 3 379.457 0.455 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@H](N[C@H]2CCCNC2=O)C[C@H]1C(=O)N1CCSC1 ZINC001170019778 1202119796 /nfs/dbraw/zinc/11/97/96/1202119796.db2.gz LDZKIJHOFGHKQW-RDBSUJKOSA-N 0 3 398.529 0.766 20 0 GCADHN CCN(CC)S(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCC[C@@H](C)O ZINC001109782471 1202122016 /nfs/dbraw/zinc/12/20/16/1202122016.db2.gz NIKZNPPTENMKFE-WCVJEAGWSA-N 0 3 375.535 0.541 20 0 GCADHN CN(C)CCN1C[C@H](C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1=O ZINC000746253253 1202122290 /nfs/dbraw/zinc/12/22/90/1202122290.db2.gz JLLRVOCDALYUTK-NEPJUHHUSA-N 0 3 378.395 0.018 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn(C(C)(C)C)c1=O)C2 ZINC001109819301 1202128095 /nfs/dbraw/zinc/12/80/95/1202128095.db2.gz DMEOXCCLKHBMJV-JHNDHUHGSA-N 0 3 377.485 0.946 20 0 GCADHN CCn1cc(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCN2CCOCC2)C3)cn1 ZINC001109847814 1202135088 /nfs/dbraw/zinc/13/50/88/1202135088.db2.gz IHIPGKFLPMQTNY-QYZOEREBSA-N 0 3 375.517 0.889 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1NC(C)=O)C2 ZINC001109857808 1202137334 /nfs/dbraw/zinc/13/73/34/1202137334.db2.gz CZZAMFLYSBRKPW-FPAYPSAMSA-N 0 3 375.469 0.916 20 0 GCADHN CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2CNC(=O)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170025314 1202138097 /nfs/dbraw/zinc/13/80/97/1202138097.db2.gz HSOFDBZSPDFTOK-XQQFMLRXSA-N 0 3 384.502 0.375 20 0 GCADHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)Nc1nnc(C)s1 ZINC001109865835 1202139440 /nfs/dbraw/zinc/13/94/40/1202139440.db2.gz ZUQSLDKBSPXBPQ-RDBSUJKOSA-N 0 3 380.518 0.848 20 0 GCADHN O=C(Cc1ncc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001109884348 1202141748 /nfs/dbraw/zinc/14/17/48/1202141748.db2.gz ONJFUPQMGPKYLL-OHFALNGGSA-N 0 3 378.473 0.230 20 0 GCADHN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(=O)N(C)C)CC1)C2 ZINC001109961167 1202160270 /nfs/dbraw/zinc/16/02/70/1202160270.db2.gz QEKPXPFWWZTPJV-QZWWFDLISA-N 0 3 381.517 0.610 20 0 GCADHN C[C@@H](N[C@H](CO)C1CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000771811911 1202163535 /nfs/dbraw/zinc/16/35/35/1202163535.db2.gz FOJMGVYTHCUOQN-CXAGYDPISA-N 0 3 397.497 0.395 20 0 GCADHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1c[nH]cn1)C2 ZINC001109977562 1202165288 /nfs/dbraw/zinc/16/52/88/1202165288.db2.gz OSTGDZSZHQYVNO-WCVJEAGWSA-N 0 3 380.489 0.433 20 0 GCADHN Cn1ccnc1[C@H](O)C1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000771981291 1202170561 /nfs/dbraw/zinc/17/05/61/1202170561.db2.gz UZTBIZGGIFZAKL-GVDBMIGSSA-N 0 3 377.489 0.738 20 0 GCADHN COCCN1CCC(NC(=O)N2CCC([C@H](O)c3nccn3C)CC2)CC1 ZINC000772002924 1202171488 /nfs/dbraw/zinc/17/14/88/1202171488.db2.gz JYMHCRFOQYHKIJ-KRWDZBQOSA-N 0 3 379.505 0.986 20 0 GCADHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001110021392 1202176082 /nfs/dbraw/zinc/17/60/82/1202176082.db2.gz BYBLPTCQOOERPQ-OJLVUWQFSA-N 0 3 379.505 0.426 20 0 GCADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)C1 ZINC000787672494 1205396749 /nfs/dbraw/zinc/39/67/49/1205396749.db2.gz TXMBFJFYXWWUDF-OAHLLOKOSA-N 0 3 395.573 0.860 20 0 GCADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)C1 ZINC000787672491 1205396898 /nfs/dbraw/zinc/39/68/98/1205396898.db2.gz TXMBFJFYXWWUDF-HNNXBMFYSA-N 0 3 395.573 0.860 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000787663997 1205398167 /nfs/dbraw/zinc/39/81/67/1205398167.db2.gz LLMDXMVZKUDJPS-HNNXBMFYSA-N 0 3 382.505 0.818 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000787753264 1205399662 /nfs/dbraw/zinc/39/96/62/1205399662.db2.gz XQCSGOOEDCJNMT-CABCVRRESA-N 0 3 382.505 0.960 20 0 GCADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000787751204 1205399689 /nfs/dbraw/zinc/39/96/89/1205399689.db2.gz KUTLJUQWICGFTC-MRXNPFEDSA-N 0 3 382.505 0.914 20 0 GCADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000787755187 1205400110 /nfs/dbraw/zinc/40/01/10/1205400110.db2.gz HPZIZKIUKMALMA-SFHVURJKSA-N 0 3 390.528 0.456 20 0 GCADHN C[C@H](Cc1ccco1)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000787951538 1205409461 /nfs/dbraw/zinc/40/94/61/1205409461.db2.gz IVVJBOQXKLAAEJ-OAHLLOKOSA-N 0 3 376.457 0.093 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000787992411 1205410706 /nfs/dbraw/zinc/41/07/06/1205410706.db2.gz LSBNDWRJNUATTE-FUHWJXTLSA-N 0 3 391.468 0.307 20 0 GCADHN COCCOc1ccc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)cn1 ZINC000787980399 1205411725 /nfs/dbraw/zinc/41/17/25/1205411725.db2.gz PVHRPDWNYJEMEZ-HNNXBMFYSA-N 0 3 378.473 0.714 20 0 GCADHN CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000788243324 1205417059 /nfs/dbraw/zinc/41/70/59/1205417059.db2.gz LOFURYYCFYNQPA-GUYCJALGSA-N 0 3 386.518 0.277 20 0 GCADHN O=C(NCc1ccc(-n2cccn2)cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000788380456 1205421410 /nfs/dbraw/zinc/42/14/10/1205421410.db2.gz RBEZOFSDANPJNP-QZTJIDSGSA-N 0 3 383.452 0.468 20 0 GCADHN COc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000788404409 1205422919 /nfs/dbraw/zinc/42/29/19/1205422919.db2.gz XOSFGLREIJNJKW-RVKKMQEKSA-N 0 3 391.468 0.558 20 0 GCADHN O=C(NCCCc1nc2ccccc2[nH]1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000788458790 1205423131 /nfs/dbraw/zinc/42/31/31/1205423131.db2.gz HMEAEQVNHNSVMP-GJZGRUSLSA-N 0 3 385.468 0.591 20 0 GCADHN NC(=O)N1CCCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000772723108 1205427686 /nfs/dbraw/zinc/42/76/86/1205427686.db2.gz OWMXOFNUJNPWGF-UHFFFAOYSA-N 0 3 375.473 0.938 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788769685 1205429182 /nfs/dbraw/zinc/42/91/82/1205429182.db2.gz KMCLRPDOYLBOQJ-LJQANCHMSA-N 0 3 398.507 0.802 20 0 GCADHN O=C(NCc1cnn(Cc2ccccc2)c1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000788829456 1205430977 /nfs/dbraw/zinc/43/09/77/1205430977.db2.gz ZDOPDQWGKRULSY-RBUKOAKNSA-N 0 3 397.479 0.527 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1C ZINC000746799785 1205438583 /nfs/dbraw/zinc/43/85/83/1205438583.db2.gz GOAXBPGHWPHHME-LSDHHAIUSA-N 0 3 375.425 0.700 20 0 GCADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1C ZINC000746799783 1205438676 /nfs/dbraw/zinc/43/86/76/1205438676.db2.gz GOAXBPGHWPHHME-GJZGRUSLSA-N 0 3 375.425 0.700 20 0 GCADHN NCc1cc(NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)ccn1 ZINC001170107711 1205440669 /nfs/dbraw/zinc/44/06/69/1205440669.db2.gz DKARVJKMHJIRDU-UHFFFAOYSA-N 0 3 375.498 0.959 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(O)CCO[C@@H]3C)cc2)CC1 ZINC000789808896 1205449156 /nfs/dbraw/zinc/44/91/56/1205449156.db2.gz FHGILVDNZATKIC-FOIQADDNSA-N 0 3 390.484 0.423 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(O)CCO[C@@H]3C)cc2)CC1 ZINC000789808898 1205449199 /nfs/dbraw/zinc/44/91/99/1205449199.db2.gz FHGILVDNZATKIC-QRWLVFNGSA-N 0 3 390.484 0.423 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(O)CCO[C@H]3C)cc2)CC1 ZINC000789808899 1205449292 /nfs/dbraw/zinc/44/92/92/1205449292.db2.gz FHGILVDNZATKIC-YWZLYKJASA-N 0 3 390.484 0.423 20 0 GCADHN CCOC(=O)N[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)CC(C)C ZINC000789929134 1205451768 /nfs/dbraw/zinc/45/17/68/1205451768.db2.gz JUGCCHTWPHZTOL-HZPDHXFCSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@@H](NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)c1nnnn1C ZINC000790163968 1205458073 /nfs/dbraw/zinc/45/80/73/1205458073.db2.gz HXRYBXSLSFELHD-WBVHZDCISA-N 0 3 386.504 0.949 20 0 GCADHN Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)no1 ZINC000790194948 1205458697 /nfs/dbraw/zinc/45/86/97/1205458697.db2.gz KTNKSDLOEOGUIT-YOEHRIQHSA-N 0 3 377.489 0.646 20 0 GCADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)COc2ccccc2)CC1 ZINC000790210470 1205459496 /nfs/dbraw/zinc/45/94/96/1205459496.db2.gz UFOTZFCZMRIBQV-MSOLQXFVSA-N 0 3 390.528 0.960 20 0 GCADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790481892 1205465464 /nfs/dbraw/zinc/46/54/64/1205465464.db2.gz LIWKZSLWPSRDDE-AWEZNQCLSA-N 0 3 386.493 0.149 20 0 GCADHN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000790496007 1205466352 /nfs/dbraw/zinc/46/63/52/1205466352.db2.gz XUEZXUARYBCXJY-RRFJBIMHSA-N 0 3 396.488 0.091 20 0 GCADHN C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1nnnn1C1CC1 ZINC000790720262 1205470081 /nfs/dbraw/zinc/47/00/81/1205470081.db2.gz YGGSLUSNLMAOBQ-GXTWGEPZSA-N 0 3 376.465 0.017 20 0 GCADHN C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1nnnn1C1CC1 ZINC000790729124 1205470639 /nfs/dbraw/zinc/47/06/39/1205470639.db2.gz XXQFCXYPFGUJRK-ZDUSSCGKSA-N 0 3 376.465 0.019 20 0 GCADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCNC(=O)c1ccco1)C2 ZINC001110091694 1205471231 /nfs/dbraw/zinc/47/12/31/1205471231.db2.gz GEOPZKHEPBWTCU-UGUYLWEFSA-N 0 3 379.457 0.518 20 0 GCADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCNC(=O)c1ccco1)C2 ZINC001110091695 1205471345 /nfs/dbraw/zinc/47/13/45/1205471345.db2.gz GEOPZKHEPBWTCU-WCVJEAGWSA-N 0 3 379.457 0.518 20 0 GCADHN COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1N1C[C@H](O)C[C@@H]1CO ZINC001170284230 1205490585 /nfs/dbraw/zinc/49/05/85/1205490585.db2.gz XCEXVRGLEROKDN-NUEKZKHPSA-N 0 3 381.473 0.119 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCc1ccn(-c2ccccc2)n1 ZINC000793653564 1205500803 /nfs/dbraw/zinc/50/08/03/1205500803.db2.gz DLDKGHCQRDTWHM-UHFFFAOYSA-N 0 3 398.511 0.584 20 0 GCADHN C[C@H](O)c1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000793640802 1205501797 /nfs/dbraw/zinc/50/17/97/1205501797.db2.gz VNWHHTVVCJOTEJ-YJBOKZPZSA-N 0 3 377.485 0.925 20 0 GCADHN C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000793683561 1205502569 /nfs/dbraw/zinc/50/25/69/1205502569.db2.gz QTKKKATTWDDPHS-QGZVFWFLSA-N 0 3 376.501 0.666 20 0 GCADHN O=C(NCc1ccn(-c2ccccc2)n1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793655567 1205502778 /nfs/dbraw/zinc/50/27/78/1205502778.db2.gz JLKIPOPSMDWRNA-ZWKOTPCHSA-N 0 3 383.452 0.468 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1)N1CCCCC1 ZINC000793708610 1205502782 /nfs/dbraw/zinc/50/27/82/1205502782.db2.gz IXLDVKWLCOXDRV-MSOLQXFVSA-N 0 3 380.533 0.548 20 0 GCADHN O=C(NCc1ccn(-c2ccccc2)n1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793655562 1205502944 /nfs/dbraw/zinc/50/29/44/1205502944.db2.gz JLKIPOPSMDWRNA-MSOLQXFVSA-N 0 3 383.452 0.468 20 0 GCADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793711924 1205503057 /nfs/dbraw/zinc/50/30/57/1205503057.db2.gz ZCJSOXCKCOIYPY-OXQOHEQNSA-N 0 3 397.516 0.795 20 0 GCADHN CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793712436 1205503102 /nfs/dbraw/zinc/50/31/02/1205503102.db2.gz NPELDFMVTMRDEM-DLBZAZTESA-N 0 3 380.533 0.988 20 0 GCADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793711926 1205503157 /nfs/dbraw/zinc/50/31/57/1205503157.db2.gz ZCJSOXCKCOIYPY-UZLBHIALSA-N 0 3 397.516 0.795 20 0 GCADHN C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000793715620 1205503498 /nfs/dbraw/zinc/50/34/98/1205503498.db2.gz IDPUZRTZBGMFDL-HUUCEWRRSA-N 0 3 383.489 0.546 20 0 GCADHN O=C(NCc1ccccc1-n1ccnc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793715990 1205503505 /nfs/dbraw/zinc/50/35/05/1205503505.db2.gz BSIJCSPPQQRARF-DLBZAZTESA-N 0 3 383.452 0.468 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1)N1CCCCC1 ZINC000793695653 1205503959 /nfs/dbraw/zinc/50/39/59/1205503959.db2.gz DQFNHXMWLTZUIT-HUUCEWRRSA-N 0 3 377.464 0.906 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1)N1CCCCC1 ZINC000793695650 1205504026 /nfs/dbraw/zinc/50/40/26/1205504026.db2.gz DQFNHXMWLTZUIT-CABCVRRESA-N 0 3 377.464 0.906 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)N1CCCCC1 ZINC000793698478 1205504095 /nfs/dbraw/zinc/50/40/95/1205504095.db2.gz JRVRBLWLZQABBG-OLZOCXBDSA-N 0 3 392.422 0.647 20 0 GCADHN C[C@@H](CNC(=O)C(=O)N1CCC([C@H](O)c2nccn2C)CC1)N1CCCCC1 ZINC000793707261 1205504623 /nfs/dbraw/zinc/50/46/23/1205504623.db2.gz GHIPCGHFEJKLAH-RDJZCZTQSA-N 0 3 391.516 0.683 20 0 GCADHN Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000793803545 1205506544 /nfs/dbraw/zinc/50/65/44/1205506544.db2.gz TWPOAXRIRLSCGS-QGZVFWFLSA-N 0 3 382.468 0.889 20 0 GCADHN C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793802053 1205506552 /nfs/dbraw/zinc/50/65/52/1205506552.db2.gz SZDMPGHBOOKTSA-BPLDGKMQSA-N 0 3 397.422 0.828 20 0 GCADHN C[C@H](COc1cccc(F)c1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000793779944 1205506750 /nfs/dbraw/zinc/50/67/50/1205506750.db2.gz ANPPRZYVZSQEEQ-UNEWFSDZSA-N 0 3 379.432 0.689 20 0 GCADHN O=C(NCc1cccc(Cn2cccn2)c1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000793809680 1205507253 /nfs/dbraw/zinc/50/72/53/1205507253.db2.gz GALULWFFNDCKIB-RTBURBONSA-N 0 3 397.479 0.527 20 0 GCADHN O=C(NCc1cccc(Cn2cccn2)c1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000793809676 1205507377 /nfs/dbraw/zinc/50/73/77/1205507377.db2.gz GALULWFFNDCKIB-OALUTQOASA-N 0 3 397.479 0.527 20 0 GCADHN O=C(NCc1cccc(Cn2cccn2)c1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000793809678 1205507409 /nfs/dbraw/zinc/50/74/09/1205507409.db2.gz GALULWFFNDCKIB-RBUKOAKNSA-N 0 3 397.479 0.527 20 0 GCADHN CN(CCCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1F ZINC000793828724 1205507757 /nfs/dbraw/zinc/50/77/57/1205507757.db2.gz RHUPJAPSGSMKMB-HZPDHXFCSA-N 0 3 392.475 0.748 20 0 GCADHN COc1ccc(OCCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000793863157 1205508007 /nfs/dbraw/zinc/50/80/07/1205508007.db2.gz CFWRAQREDOMHJY-YJBOKZPZSA-N 0 3 391.468 0.560 20 0 GCADHN CCOC(=O)N1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000793901658 1205508704 /nfs/dbraw/zinc/50/87/04/1205508704.db2.gz OEIYHXRULBKRQI-CVEARBPZSA-N 0 3 382.505 0.914 20 0 GCADHN CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000793903079 1205508861 /nfs/dbraw/zinc/50/88/61/1205508861.db2.gz UFVWYXYOFIDQDU-HRCADAONSA-N 0 3 382.505 0.960 20 0 GCADHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000793936483 1205509993 /nfs/dbraw/zinc/50/99/93/1205509993.db2.gz KKWDIOVQSYKBMR-KGLIPLIRSA-N 0 3 382.505 0.959 20 0 GCADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1 ZINC000804418650 1205515157 /nfs/dbraw/zinc/51/51/57/1205515157.db2.gz SEYOWAMXSFKCRV-GOEBONIOSA-N 0 3 382.505 0.960 20 0 GCADHN CCNc1nc(NCCS(=O)(=O)N2CCOCC2)nc(NC(C)(C)C)n1 ZINC000804398083 1205515321 /nfs/dbraw/zinc/51/53/21/1205515321.db2.gz ADSCGHPYUTYARL-UHFFFAOYSA-N 0 3 387.510 0.588 20 0 GCADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000804748715 1205522577 /nfs/dbraw/zinc/52/25/77/1205522577.db2.gz CLUYOQKUPZOSGP-UHFFFAOYSA-N 0 3 394.472 0.905 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000804750243 1205523157 /nfs/dbraw/zinc/52/31/57/1205523157.db2.gz LDNOHTBBVHRKRI-HNNXBMFYSA-N 0 3 398.504 0.291 20 0 GCADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000804751051 1205523247 /nfs/dbraw/zinc/52/32/47/1205523247.db2.gz SOBQDJDYVWRKTM-AWEZNQCLSA-N 0 3 382.505 0.959 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000804754615 1205523658 /nfs/dbraw/zinc/52/36/58/1205523658.db2.gz BOSMWOOLTWXEMG-OAHLLOKOSA-N 0 3 382.505 0.960 20 0 GCADHN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804729752 1205523956 /nfs/dbraw/zinc/52/39/56/1205523956.db2.gz QOHPCLLUBYADFH-GJZGRUSLSA-N 0 3 380.489 0.713 20 0 GCADHN CN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000804732109 1205523971 /nfs/dbraw/zinc/52/39/71/1205523971.db2.gz CPEXWFWYOUNHTK-OLZOCXBDSA-N 0 3 390.406 0.209 20 0 GCADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000804731634 1205524093 /nfs/dbraw/zinc/52/40/93/1205524093.db2.gz OTMHKHZRLBFSQG-RTBURBONSA-N 0 3 398.507 0.894 20 0 GCADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCCN(c2ncccc2F)CC1 ZINC000804729907 1205524137 /nfs/dbraw/zinc/52/41/37/1205524137.db2.gz TVRITCNFFITDKK-INIZCTEOSA-N 0 3 389.475 0.860 20 0 GCADHN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000804732509 1205524226 /nfs/dbraw/zinc/52/42/26/1205524226.db2.gz QKLQEQOPQZCNFH-YESZJQIVSA-N 0 3 389.500 0.293 20 0 GCADHN C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC000804732699 1205524229 /nfs/dbraw/zinc/52/42/29/1205524229.db2.gz XSGDUEYAIXANSR-VNQPRFMTSA-N 0 3 394.516 0.959 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000804731830 1205524348 /nfs/dbraw/zinc/52/43/48/1205524348.db2.gz WEYDUZHAVXUYIU-XJKSGUPXSA-N 0 3 380.489 0.570 20 0 GCADHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000804732857 1205524439 /nfs/dbraw/zinc/52/44/39/1205524439.db2.gz ZDDLCAZCRIMFIL-ZFWWWQNUSA-N 0 3 382.505 0.959 20 0 GCADHN COCCOCCN[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@@H]1n1ccnn1 ZINC001129930481 1205525714 /nfs/dbraw/zinc/52/57/14/1205525714.db2.gz JIKNAVQBATWEFB-NTDBWNAOSA-N 0 3 393.488 0.242 20 0 GCADHN CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](NCCCS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129997729 1205527374 /nfs/dbraw/zinc/52/73/74/1205527374.db2.gz YWTJXJHEIVBAKR-FPCVCCKLSA-N 0 3 383.518 0.491 20 0 GCADHN CC(C)COCCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001130009452 1205529423 /nfs/dbraw/zinc/52/94/23/1205529423.db2.gz PIEPPYRLOXWTKS-TWMKSMIVSA-N 0 3 392.504 0.017 20 0 GCADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)C1 ZINC001130009652 1205529428 /nfs/dbraw/zinc/52/94/28/1205529428.db2.gz ZOCSFGKCXKVPBG-WTTBNOFXSA-N 0 3 390.488 0.090 20 0 GCADHN CC(C)NC(=O)NCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@@H]1n1ccnn1 ZINC001130034524 1205529885 /nfs/dbraw/zinc/52/98/85/1205529885.db2.gz RKDXAKXRHTVVPO-HZMVEIRTSA-N 0 3 389.504 0.373 20 0 GCADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCCC3(C2)OCCO3)CC1 ZINC000805156380 1205532788 /nfs/dbraw/zinc/53/27/88/1205532788.db2.gz SHXDYKQBBJMSLE-UHFFFAOYSA-N 0 3 383.489 0.358 20 0 GCADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1[C@@H](C)CC[C@H]1CO ZINC001157914292 1205532996 /nfs/dbraw/zinc/53/29/96/1205532996.db2.gz IXDIPZRJUPMKEW-WOYTXXSLSA-N 0 3 396.532 0.227 20 0 GCADHN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000747237204 1205534742 /nfs/dbraw/zinc/53/47/42/1205534742.db2.gz UIJMGNJCWBOWKX-HRCADAONSA-N 0 3 381.498 0.641 20 0 GCADHN CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC)[n-]1 ZINC001130237893 1205539017 /nfs/dbraw/zinc/53/90/17/1205539017.db2.gz INEGHOJZMINIMH-RQJABVFESA-N 0 3 378.477 0.065 20 0 GCADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000806330439 1205554554 /nfs/dbraw/zinc/55/45/54/1205554554.db2.gz MJRXPKJWLOZIPV-OLZOCXBDSA-N 0 3 392.422 0.599 20 0 GCADHN CN(C)C1(CNC(=O)C(=O)NCCC2(C)OCCO2)Cc2ccccc2C1 ZINC000806376242 1205556151 /nfs/dbraw/zinc/55/61/51/1205556151.db2.gz LLRJXDFKXAFAHG-UHFFFAOYSA-N 0 3 375.469 0.471 20 0 GCADHN Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)nc12 ZINC000806537731 1205558288 /nfs/dbraw/zinc/55/82/88/1205558288.db2.gz VCZRVFVZHNCOQT-IRXDYDNUSA-N 0 3 385.468 0.281 20 0 GCADHN Cn1ccnc1[C@](O)(CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(F)(F)F ZINC000747343767 1205561386 /nfs/dbraw/zinc/56/13/86/1205561386.db2.gz SRJGAWRGWKZWQW-YWPYICTPSA-N 0 3 376.379 0.540 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000806690415 1205562241 /nfs/dbraw/zinc/56/22/41/1205562241.db2.gz JPYFIERRHZMABD-HOTGVXAUSA-N 0 3 383.489 0.358 20 0 GCADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000806696753 1205562793 /nfs/dbraw/zinc/56/27/93/1205562793.db2.gz DQPRIIBDDYTMAV-DLBZAZTESA-N 0 3 397.516 0.748 20 0 GCADHN CN(C)CCN1CCN(C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CC1=O ZINC001130707598 1205563349 /nfs/dbraw/zinc/56/33/49/1205563349.db2.gz ZYXKLLKIXKDVJQ-UHFFFAOYSA-N 0 3 392.410 0.727 20 0 GCADHN CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000806902641 1205569663 /nfs/dbraw/zinc/56/96/63/1205569663.db2.gz AMJHOVYROAWNND-DLBZAZTESA-N 0 3 388.468 0.696 20 0 GCADHN CCOC(=O)C1=C(Nc2nc(Cl)nc3c2CS(=O)(=O)CC3)CCNC1 ZINC001170513773 1205570021 /nfs/dbraw/zinc/57/00/21/1205570021.db2.gz ZOWWGDLKCFYYPZ-UHFFFAOYSA-N 0 3 386.861 0.823 20 0 GCADHN CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000807130705 1205576413 /nfs/dbraw/zinc/57/64/13/1205576413.db2.gz KZABXSRRISBRIR-OALUTQOASA-N 0 3 391.512 0.930 20 0 GCADHN COCCCN(C)CCNC(=O)C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000807460665 1205582239 /nfs/dbraw/zinc/58/22/39/1205582239.db2.gz VXQVHUQJGOOGKU-AWEZNQCLSA-N 0 3 380.493 0.389 20 0 GCADHN Cc1cccc(F)c1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000807516202 1205584186 /nfs/dbraw/zinc/58/41/86/1205584186.db2.gz IMRRBFUXTMSADY-KRWDZBQOSA-N 0 3 390.459 0.515 20 0 GCADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H](NC/C=C/Cl)C2)O1 ZINC001131014607 1205587855 /nfs/dbraw/zinc/58/78/55/1205587855.db2.gz BZLNJXZXPAMNJK-LQGKFGNSSA-N 0 3 381.908 0.776 20 0 GCADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000807694684 1205588295 /nfs/dbraw/zinc/58/82/95/1205588295.db2.gz GXONMSRSXXROGW-SFHVURJKSA-N 0 3 388.512 0.592 20 0 GCADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000807828691 1205591898 /nfs/dbraw/zinc/59/18/98/1205591898.db2.gz BQTFMBNEVPCODP-ZBFHGGJFSA-N 0 3 380.489 0.666 20 0 GCADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000807835379 1205592734 /nfs/dbraw/zinc/59/27/34/1205592734.db2.gz WZGQTVVDXQGIMR-KBPBESRZSA-N 0 3 380.489 0.736 20 0 GCADHN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)NC[C@@H]2CCCN2CC)C1 ZINC000808041038 1205596095 /nfs/dbraw/zinc/59/60/95/1205596095.db2.gz LXOHGDIIXOWQJQ-JYJNAYRXSA-N 0 3 382.505 0.960 20 0 GCADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCc1ccnn1C ZINC000808019598 1205596911 /nfs/dbraw/zinc/59/69/11/1205596911.db2.gz DQIJNVQBJQQQRQ-LJQANCHMSA-N 0 3 398.511 0.987 20 0 GCADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000808218993 1205602365 /nfs/dbraw/zinc/60/23/65/1205602365.db2.gz YTGNRKSSIUKTQP-GOSISDBHSA-N 0 3 386.496 0.846 20 0 GCADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000808222797 1205602855 /nfs/dbraw/zinc/60/28/55/1205602855.db2.gz IAVZZAHMWCYDIF-ZWKOTPCHSA-N 0 3 386.496 0.894 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000808225081 1205602997 /nfs/dbraw/zinc/60/29/97/1205602997.db2.gz KGSCDZQBHKWCOF-SFHVURJKSA-N 0 3 386.496 0.848 20 0 GCADHN CCn1nc(C)c(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)c1Cl ZINC000808268858 1205604624 /nfs/dbraw/zinc/60/46/24/1205604624.db2.gz BHTWPJDSLQDZGP-CYBMUJFWSA-N 0 3 385.896 0.774 20 0 GCADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CC(c3ccccc3)=NO2)CC1=O ZINC000808270370 1205604812 /nfs/dbraw/zinc/60/48/12/1205604812.db2.gz VWTWXKHFVIOYFR-SJLPKXTDSA-N 0 3 388.468 0.475 20 0 GCADHN CCOC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)C1 ZINC000808270492 1205604826 /nfs/dbraw/zinc/60/48/26/1205604826.db2.gz XPMUHJRXOBSCMX-JKSUJKDBSA-N 0 3 398.504 0.150 20 0 GCADHN C[C@H](Nc1cc(Oc2ccc(S(N)(=O)=O)cc2)ncn1)[C@H]1CNCCO1 ZINC001170561410 1205611983 /nfs/dbraw/zinc/61/19/83/1205611983.db2.gz FAJABFBQVUKJKG-SMDDNHRTSA-N 0 3 379.442 0.705 20 0 GCADHN Cc1nonc1CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000808900115 1205613371 /nfs/dbraw/zinc/61/33/71/1205613371.db2.gz KYFMPTDFTMFJBR-MRXNPFEDSA-N 0 3 387.440 0.402 20 0 GCADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)OC3)CC1 ZINC000808922685 1205614398 /nfs/dbraw/zinc/61/43/98/1205614398.db2.gz XPFQZQKVBJGNFP-AWEZNQCLSA-N 0 3 388.468 0.685 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)Nc1ccccc1F ZINC001131516595 1205615332 /nfs/dbraw/zinc/61/53/32/1205615332.db2.gz IRASXINNNHYCAB-QJOIDAIFSA-N 0 3 390.415 0.603 20 0 GCADHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCc2sccc2C1 ZINC001131521819 1205615814 /nfs/dbraw/zinc/61/58/14/1205615814.db2.gz IPWFQTHEZSNEKV-JSEZXORMSA-N 0 3 375.494 0.762 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)CCOCCOC)cc2)CC1 ZINC000808961914 1205615987 /nfs/dbraw/zinc/61/59/87/1205615987.db2.gz HNCYMYDNQNLTSH-UHFFFAOYSA-N 0 3 392.500 0.888 20 0 GCADHN CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001131533372 1205616937 /nfs/dbraw/zinc/61/69/37/1205616937.db2.gz AIYCAIYOCYYQSI-VXNCWWDNSA-N 0 3 381.517 0.923 20 0 GCADHN COc1ccccc1CN(C)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131524647 1205617078 /nfs/dbraw/zinc/61/70/78/1205617078.db2.gz LSTPUOFOGUWZJD-DFMFOVPYSA-N 0 3 387.480 0.783 20 0 GCADHN C[C@H](NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)NCc1ccc(F)cc1 ZINC001131524645 1205617215 /nfs/dbraw/zinc/61/72/15/1205617215.db2.gz LRSQBKDHTMVTNQ-LTUQZUHASA-N 0 3 375.444 0.960 20 0 GCADHN C[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)N1CCCCC1 ZINC000809008816 1205617300 /nfs/dbraw/zinc/61/73/00/1205617300.db2.gz HGYUYSIXVZVPKT-FMKPAKJESA-N 0 3 390.488 0.021 20 0 GCADHN CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001131564311 1205618199 /nfs/dbraw/zinc/61/81/99/1205618199.db2.gz GTDWUDLFDKRCSG-NNFUDEMPSA-N 0 3 389.500 0.255 20 0 GCADHN CNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC001131567710 1205618435 /nfs/dbraw/zinc/61/84/35/1205618435.db2.gz PMHDVBHQRGXRGK-FAJBIJEISA-N 0 3 389.500 0.255 20 0 GCADHN CN(Cc1ccsc1)C(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131644701 1205621629 /nfs/dbraw/zinc/62/16/29/1205621629.db2.gz CPYLCXFJDAMGHG-YQQAZPJKSA-N 0 3 381.498 0.464 20 0 GCADHN CC(C)(C)CN1CCC[C@@H](NCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1=O ZINC001131645101 1205621966 /nfs/dbraw/zinc/62/19/66/1205621966.db2.gz RCEHCHLQGZNSCO-MWDXBVQZSA-N 0 3 381.517 0.781 20 0 GCADHN CN(Cc1cccs1)C(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131647908 1205622829 /nfs/dbraw/zinc/62/28/29/1205622829.db2.gz HRYVKCUOPGLIFV-JLJPHGGASA-N 0 3 381.498 0.464 20 0 GCADHN COCCCS(=O)(=O)NCCNCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001131662618 1205623007 /nfs/dbraw/zinc/62/30/07/1205623007.db2.gz NCJFELODYAGLJP-HRCADAONSA-N 0 3 375.535 0.474 20 0 GCADHN O=C(NCc1ccc(N2CCOC2=O)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000809427695 1205623930 /nfs/dbraw/zinc/62/39/30/1205623930.db2.gz YMXHPENXZCWURF-KRWDZBQOSA-N 0 3 386.452 0.956 20 0 GCADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000809707672 1205628863 /nfs/dbraw/zinc/62/88/63/1205628863.db2.gz LEPBCTVFIMBYFU-HNNXBMFYSA-N 0 3 380.489 0.690 20 0 GCADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)C1=CCN(C)CC1 ZINC000809706758 1205628955 /nfs/dbraw/zinc/62/89/55/1205628955.db2.gz JVLXQZFATIYHAE-USXIJHARSA-N 0 3 389.500 0.459 20 0 GCADHN CN(CCN1CCCC1)C(=O)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000809797568 1205630116 /nfs/dbraw/zinc/63/01/16/1205630116.db2.gz MBIIRKLUYOLGDS-UHFFFAOYSA-N 0 3 392.447 0.817 20 0 GCADHN CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000809868142 1205630899 /nfs/dbraw/zinc/63/08/99/1205630899.db2.gz ZIISZQGCMQGXQY-CABCVRRESA-N 0 3 382.505 0.960 20 0 GCADHN CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N(C)CCN(C)C)CC1 ZINC000747581195 1205631412 /nfs/dbraw/zinc/63/14/12/1205631412.db2.gz WMDFDPJBOQMDGH-UHFFFAOYSA-N 0 3 385.509 0.707 20 0 GCADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000809955227 1205632059 /nfs/dbraw/zinc/63/20/59/1205632059.db2.gz STFFVZVDCLLHRH-KXBFYZLASA-N 0 3 384.521 0.501 20 0 GCADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810067829 1205633488 /nfs/dbraw/zinc/63/34/88/1205633488.db2.gz YECLZOOFMVIHAS-GXTWGEPZSA-N 0 3 392.422 0.456 20 0 GCADHN Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000810270148 1205635198 /nfs/dbraw/zinc/63/51/98/1205635198.db2.gz PXEBFKJZYBBHAR-HZPDHXFCSA-N 0 3 381.498 0.561 20 0 GCADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F ZINC000810369861 1205636961 /nfs/dbraw/zinc/63/69/61/1205636961.db2.gz YBZLLAZZGVBESX-NSHDSACASA-N 0 3 398.410 0.968 20 0 GCADHN CCOC(=O)[C@@H]1CC[C@H](N[C@H]2CCC(=O)NC2=O)CN1C(=O)OC(C)(C)C ZINC001170616996 1205642915 /nfs/dbraw/zinc/64/29/15/1205642915.db2.gz MPXJSRNDCNSINE-AVGNSLFASA-N 0 3 383.445 0.712 20 0 GCADHN COC[C@@]1(CN(C)C)COCCN1C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001132762001 1205650544 /nfs/dbraw/zinc/65/05/44/1205650544.db2.gz UYUIWQSYTNMMRH-JXFKEZNVSA-N 0 3 381.517 0.973 20 0 GCADHN CCN(CC)CC(=O)N1CCN(CN2C(=O)C(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000811743378 1205655030 /nfs/dbraw/zinc/65/50/30/1205655030.db2.gz QLHCVQBHYQXEBI-AEFFLSMTSA-N 0 3 380.533 0.846 20 0 GCADHN O=C(CN1CCCC1)N1CCN(CN2C(=O)C3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000811749605 1205655194 /nfs/dbraw/zinc/65/51/94/1205655194.db2.gz KCAUKMRSSONISA-MJGOQNOKSA-N 0 3 390.528 0.744 20 0 GCADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670510 1205662986 /nfs/dbraw/zinc/66/29/86/1205662986.db2.gz SASGDBPDSPXQQQ-ZDUSSCGKSA-N 0 3 383.395 0.207 20 0 GCADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170670509 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Cc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)n(-c2ccc(C)nn2)n1 ZINC000773342602 1205713117 /nfs/dbraw/zinc/71/31/17/1205713117.db2.gz VYYDTPNEWJQWMF-GJZGRUSLSA-N 0 3 399.455 0.197 20 0 GCADHN CN1CCN(C[C@@H]2Cn3ccnc3CN(C3C[C@@H]4COC[C@H](C3)N4C)C2)CC1 ZINC001172140570 1205713226 /nfs/dbraw/zinc/71/32/26/1205713226.db2.gz WQJYCURUVFLTKY-XUBOLADHSA-N 0 3 388.560 0.424 20 0 GCADHN CN1CCN(C[C@H]2Cn3ccnc3CN([C@@H]3CCN4C(=O)CC[C@H]4C3)C2)CC1 ZINC001172179855 1205714571 /nfs/dbraw/zinc/71/45/71/1205714571.db2.gz VOAIOXBHZVPGKB-OTWHNJEPSA-N 0 3 386.544 0.716 20 0 GCADHN CN(C)c1ncc2c(n1)[C@H]1CN(C3C[C@@H]4C=C[C@H](C3)O4)C[C@H]1S(=O)(=O)C2 ZINC001172237600 1205714833 /nfs/dbraw/zinc/71/48/33/1205714833.db2.gz FMMBXCLSNZKULB-GWONACJQSA-N 0 3 376.482 0.725 20 0 GCADHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN([C@H]1COC(C)(C)C1)C2 ZINC001172283563 1205715475 /nfs/dbraw/zinc/71/54/75/1205715475.db2.gz DXYLZQSURWWHOJ-BEFAXECRSA-N 0 3 375.473 0.627 20 0 GCADHN 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COC(=O)[C@@H]1C[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)c1ccccc1 ZINC001173487362 1205722394 /nfs/dbraw/zinc/72/23/94/1205722394.db2.gz KIUGRWUDSWKCKX-IRXDYDNUSA-N 0 3 389.452 0.281 20 0 GCADHN CC[C@@]1(C(=O)OC)C[C@H](NS(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001173539378 1205722543 /nfs/dbraw/zinc/72/25/43/1205722543.db2.gz IGVKGFDPODJMNN-NHYWBVRUSA-N 0 3 379.479 0.196 20 0 GCADHN CC[C@@]1(C(=O)OC)C[C@@H](NCCN2CCNC2=O)CN1C(=O)OC(C)(C)C ZINC001173511243 1205722817 /nfs/dbraw/zinc/72/28/17/1205722817.db2.gz HKIAPPNJECFMED-ACJLOTCBSA-N 0 3 384.477 0.932 20 0 GCADHN CC[C@@]1(C(=O)OC)C[C@H](NCCN2C(=O)C=CC2=O)CN1C(=O)OC(C)(C)C ZINC001173522457 1205723272 /nfs/dbraw/zinc/72/32/72/1205723272.db2.gz ZCYQXWZWBNBQLR-DJJJIMSYSA-N 0 3 395.456 0.832 20 0 GCADHN COC(=O)[C@@H]1C[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C[C@@H]1C(=O)OC ZINC001173561093 1205723345 /nfs/dbraw/zinc/72/33/45/1205723345.db2.gz DLQCBMLTVSBTRV-XVIXHAIJSA-N 0 3 386.445 0.297 20 0 GCADHN CC[C@]1(C(=O)OC)C[C@H](N(C)S(=O)(=O)CCN)CN1C(=O)OC(C)(C)C ZINC001173538046 1205723350 /nfs/dbraw/zinc/72/33/50/1205723350.db2.gz DMUHVPPUBVFKGA-BLLLJJGKSA-N 0 3 393.506 0.538 20 0 GCADHN CCC1=NC2(CCN([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC2)C(=O)N1C ZINC001173585421 1205725086 /nfs/dbraw/zinc/72/50/86/1205725086.db2.gz GLCCHPLUGMICPY-ZSOGYDGISA-N 0 3 379.457 0.842 20 0 GCADHN COC(=O)[C@@H]1C[C@@H](N2CCC(OCC(=O)NC3CC3)CC2)C[C@@H]1C(=O)OC ZINC001173584494 1205725103 /nfs/dbraw/zinc/72/51/03/1205725103.db2.gz JXZZGWAPVUSDKP-MKZZRHPPSA-N 0 3 382.457 0.487 20 0 GCADHN CS(=O)(=O)N(Cc1ncn2c1CNCCC2)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173751918 1205727340 /nfs/dbraw/zinc/72/73/40/1205727340.db2.gz XLQMAOXPJCCYQD-ZIAGYGMSSA-N 0 3 394.505 0.308 20 0 GCADHN Cc1cnccc1Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F ZINC001174536875 1205730618 /nfs/dbraw/zinc/73/06/18/1205730618.db2.gz XYFXJHPGFQLGBZ-KVQFHVITSA-N 0 3 394.794 0.937 20 0 GCADHN Cc1cc(Nc2nc(Cl)nc3c2ncn3[C@H]2C[C@H](O)[C@@H](CO)O2)ccn1 ZINC001174653207 1205731531 /nfs/dbraw/zinc/73/15/31/1205731531.db2.gz CSNBZORKFUXWSL-QJPTWQEYSA-N 0 3 376.804 0.989 20 0 GCADHN CCOC(=O)CC1(NCCS(=O)(=O)CC(=O)OC(C)(C)C)CCOCC1 ZINC001174916954 1205733428 /nfs/dbraw/zinc/73/34/28/1205733428.db2.gz VJGCMIWWGZDDJF-UHFFFAOYSA-N 0 3 393.502 0.835 20 0 GCADHN COc1ccc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)cc1-n1cnnn1 ZINC001175180753 1205736133 /nfs/dbraw/zinc/73/61/33/1205736133.db2.gz QVDQZJJQWNJCBC-JKSUJKDBSA-N 0 3 386.456 0.779 20 0 GCADHN O=C(COCC(=O)N[C@H]1CCC[C@H]1N1CCC(O)CC1)NCc1cccnc1 ZINC001175180550 1205736157 /nfs/dbraw/zinc/73/61/57/1205736157.db2.gz PYVBHFQKGZVSLO-ZWKOTPCHSA-N 0 3 390.484 0.208 20 0 GCADHN CN1CCC=C(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)C1 ZINC001175582041 1205739545 /nfs/dbraw/zinc/73/95/45/1205739545.db2.gz BYQWPKNMTRSXSF-WKULXVSPSA-N 0 3 382.482 0.210 20 0 GCADHN Cn1cc(-c2n[nH]cc2C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cn1 ZINC001176095147 1205743813 /nfs/dbraw/zinc/74/38/13/1205743813.db2.gz AEJXCURETAMTBG-UHFFFAOYSA-N 0 3 385.472 0.756 20 0 GCADHN COC[C@H](NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C)[C@@H]1CCCOC1 ZINC001176201869 1205744875 /nfs/dbraw/zinc/74/48/75/1205744875.db2.gz IGZWEPNDNUAONR-CJNGLKHVSA-N 0 3 385.486 0.612 20 0 GCADHN COC[C@H](NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C)[C@H]1CCCOC1 ZINC001176201867 1205744975 /nfs/dbraw/zinc/74/49/75/1205744975.db2.gz IGZWEPNDNUAONR-BBRMVZONSA-N 0 3 385.486 0.612 20 0 GCADHN COC[C@H](NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@@H]1CCCOC1 ZINC001176200541 1205745393 /nfs/dbraw/zinc/74/53/93/1205745393.db2.gz CUJXRWCIMDMYDR-ZBFHGGJFSA-N 0 3 397.497 0.254 20 0 GCADHN O=C(Cn1ccnc1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001110194965 1205747552 /nfs/dbraw/zinc/74/75/52/1205747552.db2.gz KCUSVDFNZWQZMK-LMSBXDPUSA-N 0 3 378.473 0.161 20 0 GCADHN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)Cc2c[nH]cn2)C3)nn1 ZINC001176828696 1205755680 /nfs/dbraw/zinc/75/56/80/1205755680.db2.gz DHMFLKVKXWDEIQ-DNVCBOLYSA-N 0 3 386.456 0.797 20 0 GCADHN Cc1nc(C)n(CC(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)n1 ZINC001176899382 1205758606 /nfs/dbraw/zinc/75/86/06/1205758606.db2.gz PHKGQMQVTPKKLM-UHFFFAOYSA-N 0 3 381.444 0.608 20 0 GCADHN NS(=O)(=O)c1ccc(CNCCCN2C(=O)NC3(CCCC3)C2=O)s1 ZINC001177132981 1205762646 /nfs/dbraw/zinc/76/26/46/1205762646.db2.gz NIGSNZNLIRLJMU-UHFFFAOYSA-N 0 3 386.499 0.740 20 0 GCADHN O=C(CCNC(=O)[C@H]1CCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC1CCC1 ZINC001110201878 1205764309 /nfs/dbraw/zinc/76/43/09/1205764309.db2.gz WMPGITIVOOAYFF-LAVFITLUSA-N 0 3 379.501 0.962 20 0 GCADHN Nc1cn(C(=O)Cc2cncc(Cl)n2)ccc1=NCCN1CCOCC1 ZINC001177226571 1205764434 /nfs/dbraw/zinc/76/44/34/1205764434.db2.gz OAXBYBDXJXUHLT-UHFFFAOYSA-N 0 3 376.848 0.630 20 0 GCADHN O=C(COC[C@@H]1CCCO1)N[C@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001110205653 1205768441 /nfs/dbraw/zinc/76/84/41/1205768441.db2.gz YYWOOHKFZYLPQC-OWSLCNJRSA-N 0 3 379.501 0.916 20 0 GCADHN CCN1C(=O)CO[C@H](C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)[C@H]1c1ccnn1C ZINC001177884215 1205778623 /nfs/dbraw/zinc/77/86/23/1205778623.db2.gz IQWAIWJYFPYESD-JFTQMJAMSA-N 0 3 375.473 0.404 20 0 GCADHN CN1CCC[C@@H]2CN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C[C@H]21 ZINC001178502922 1205788869 /nfs/dbraw/zinc/78/88/69/1205788869.db2.gz XTDAAPFDTMRVND-HUUCEWRRSA-N 0 3 380.489 0.618 20 0 GCADHN CN1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC001178708864 1205792737 /nfs/dbraw/zinc/79/27/37/1205792737.db2.gz IDACVOLSZKOMMR-JONQDZQNSA-N 0 3 399.557 0.553 20 0 GCADHN CN1CCN(CC(=O)N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)CC1 ZINC001178947956 1205797229 /nfs/dbraw/zinc/79/72/29/1205797229.db2.gz DNGCMSGSYWDPKD-TZIWHRDSSA-N 0 3 393.576 0.021 20 0 GCADHN CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CC(N[C@@H]4CCOC4)C3)c2C1 ZINC001179008169 1205798992 /nfs/dbraw/zinc/79/89/92/1205798992.db2.gz IHHINMRAAQFZRX-GFCCVEGCSA-N 0 3 391.472 0.906 20 0 GCADHN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(N[C@H]2CCOC2)C1 ZINC001179007830 1205799043 /nfs/dbraw/zinc/79/90/43/1205799043.db2.gz CZRGNCBWVPJIGK-HNNXBMFYSA-N 0 3 379.482 0.674 20 0 GCADHN CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CC(N[C@H]3CCOC3)C2)cn1 ZINC001179008733 1205799379 /nfs/dbraw/zinc/79/93/79/1205799379.db2.gz QROOTXNYHILOSR-ZDUSSCGKSA-N 0 3 377.445 0.704 20 0 GCADHN CC(=O)N1CCN(CC(=O)N2CCc3c(CN(C)C(C)C)n[nH]c3C2)CC1 ZINC001179030946 1205800908 /nfs/dbraw/zinc/80/09/08/1205800908.db2.gz IAFKKRKDOZCZHF-UHFFFAOYSA-N 0 3 376.505 0.299 20 0 GCADHN CN(C)C[C@@H]1COCCN1C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001179203914 1205804531 /nfs/dbraw/zinc/80/45/31/1205804531.db2.gz BZXYJDCPDPFAQJ-AUUYWEPGSA-N 0 3 396.488 0.931 20 0 GCADHN CCS(=O)(=O)NCC(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001179298615 1205807752 /nfs/dbraw/zinc/80/77/52/1205807752.db2.gz JMWJMJYHILSIFE-UHFFFAOYSA-N 0 3 383.514 0.677 20 0 GCADHN NS(=O)(=O)c1cc(CNC[C@@]2(CO)COC[C@@H]3CCCN32)ccc1Cl ZINC001179816769 1205814756 /nfs/dbraw/zinc/81/47/56/1205814756.db2.gz NOVOWKVQUDKEEC-XJKSGUPXSA-N 0 3 389.905 0.303 20 0 GCADHN COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)Nc1onc(C)c1C(N)=O ZINC001180405824 1205824633 /nfs/dbraw/zinc/82/46/33/1205824633.db2.gz RVKLZSSVVRTCNY-UONOGXRCSA-N 0 3 386.408 0.942 20 0 GCADHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001180409002 1205824854 /nfs/dbraw/zinc/82/48/54/1205824854.db2.gz YPWWKMCAQSASQQ-YESZJQIVSA-N 0 3 386.452 0.536 20 0 GCADHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001180409002 1205824856 /nfs/dbraw/zinc/82/48/56/1205824856.db2.gz YPWWKMCAQSASQQ-YESZJQIVSA-N 0 3 386.452 0.536 20 0 GCADHN C[C@@H](C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1)N1CCCC1 ZINC001180581651 1205826082 /nfs/dbraw/zinc/82/60/82/1205826082.db2.gz YWRNISGQZMYOHQ-HNNXBMFYSA-N 0 3 388.516 0.177 20 0 GCADHN C[C@H](C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21)N1CCCC1 ZINC001180576892 1205826187 /nfs/dbraw/zinc/82/61/87/1205826187.db2.gz BAAQKXXXMJQAIL-JOCBIADPSA-N 0 3 387.484 0.697 20 0 GCADHN C[C@H](C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1)N1CCCC1 ZINC001180581668 1205826274 /nfs/dbraw/zinc/82/62/74/1205826274.db2.gz YWRNISGQZMYOHQ-OAHLLOKOSA-N 0 3 388.516 0.177 20 0 GCADHN C[C@@H](C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)N1CCCC1 ZINC001180578896 1205826283 /nfs/dbraw/zinc/82/62/83/1205826283.db2.gz LFGAGQGVARAMIX-QFBILLFUSA-N 0 3 375.473 0.395 20 0 GCADHN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)CN(C)C1CCCC1 ZINC001180626655 1205828390 /nfs/dbraw/zinc/82/83/90/1205828390.db2.gz RXNMZSQQKXHZQK-MRXNPFEDSA-N 0 3 387.488 0.910 20 0 GCADHN CN1CC[C@@H](C(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)CC1=O ZINC001180634230 1205829083 /nfs/dbraw/zinc/82/90/83/1205829083.db2.gz DPFHQQXLGJEMDR-CQSZACIVSA-N 0 3 383.456 0.568 20 0 GCADHN CC(=O)N1[C@H](C(=O)NCC(N)=O)CSC12CCN(Cc1ccccc1)CC2 ZINC001180820788 1205833110 /nfs/dbraw/zinc/83/31/10/1205833110.db2.gz URCGXENSCHEHPO-INIZCTEOSA-N 0 3 390.509 0.544 20 0 GCADHN CN(C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(Cc2ccccc2)CC1=O ZINC001181564140 1205847533 /nfs/dbraw/zinc/84/75/33/1205847533.db2.gz FBJLKTHISACYKF-HSALFYBXSA-N 0 3 384.524 0.924 20 0 GCADHN CCN(CCO)CCNC(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001687523626 1205847737 /nfs/dbraw/zinc/84/77/37/1205847737.db2.gz IMDWXVDLPAKXOO-GOSISDBHSA-N 0 3 388.509 0.626 20 0 GCADHN NC[C@@H](NC(=O)COCCO)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001181799587 1205850299 /nfs/dbraw/zinc/85/02/99/1205850299.db2.gz CSYLIXQXKDRGLG-LJQANCHMSA-N 0 3 384.432 0.795 20 0 GCADHN COCC[C@]1(NCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CCOC1 ZINC000773955744 1205851843 /nfs/dbraw/zinc/85/18/43/1205851843.db2.gz UKGVSLGDOKMIQW-VXVMZULRSA-N 0 3 382.461 0.304 20 0 GCADHN CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001181993901 1205852989 /nfs/dbraw/zinc/85/29/89/1205852989.db2.gz GHMHRAMHEPENGK-UZLBHIALSA-N 0 3 378.517 0.790 20 0 GCADHN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)C1(O)CCN(C)CC1 ZINC001182030409 1205853610 /nfs/dbraw/zinc/85/36/10/1205853610.db2.gz AIJKZZFTDBXLDS-MRXNPFEDSA-N 0 3 377.489 0.483 20 0 GCADHN CN1CCC(O)(C(=O)N2Cc3nccn3C[C@H](COCc3cccnc3)C2)CC1 ZINC001182030782 1205853659 /nfs/dbraw/zinc/85/36/59/1205853659.db2.gz HRWUDIMGBQCOQW-SFHVURJKSA-N 0 3 399.495 0.910 20 0 GCADHN CN1CCC(O)(C(=O)N[C@H]2CC[C@H]3[C@H]2OCCN3C(=O)OC(C)(C)C)CC1 ZINC001182031448 1205853841 /nfs/dbraw/zinc/85/38/41/1205853841.db2.gz AQJJLJWAPYVIDB-KKUMJFAQSA-N 0 3 383.489 0.726 20 0 GCADHN CN1CCC(O)(C(=O)N2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)CC1 ZINC001182031404 1205853928 /nfs/dbraw/zinc/85/39/28/1205853928.db2.gz MJTKXJBYTUXRLV-RCCFBDPRSA-N 0 3 375.469 0.813 20 0 GCADHN CN1CCC(O)(C(=O)N2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)CC1 ZINC001182031415 1205853977 /nfs/dbraw/zinc/85/39/77/1205853977.db2.gz MQDDRWPUNSJNFG-JZXOWHBKSA-N 0 3 379.501 0.365 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(O)CCN(C)CC3)CC2)cc1 ZINC001182031341 1205854060 /nfs/dbraw/zinc/85/40/60/1205854060.db2.gz LWEPLTVHAYWAGJ-UHFFFAOYSA-N 0 3 381.498 0.285 20 0 GCADHN CC(N)=CC(=O)OCCCCOC(=O)/C=C(/C)NC(=O)C1(O)CCN(C)CC1 ZINC001182036386 1205854265 /nfs/dbraw/zinc/85/42/65/1205854265.db2.gz RLIFCFFJDBIRRT-DZDAAMPGSA-N 0 3 397.472 0.192 20 0 GCADHN COc1ccc(CN2C[C@@H](NC(=O)C3(O)CCN(C)CC3)CC2=O)c(OC)c1 ZINC001182037010 1205854371 /nfs/dbraw/zinc/85/43/71/1205854371.db2.gz QIFOMPYQIFXASC-HNNXBMFYSA-N 0 3 391.468 0.378 20 0 GCADHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCOC[C@H]2CN(C)C)cc1 ZINC001182130052 1205856996 /nfs/dbraw/zinc/85/69/96/1205856996.db2.gz RZZRUCOTOUPEAY-AEFFLSMTSA-N 0 3 395.525 0.937 20 0 GCADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)nc2Cl)CC1 ZINC000774104823 1205862446 /nfs/dbraw/zinc/86/24/46/1205862446.db2.gz RTIIHCIDPYWXBZ-LBPRGKRZSA-N 0 3 383.880 0.824 20 0 GCADHN CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CSCC(=O)N1 ZINC001273474462 1205862594 /nfs/dbraw/zinc/86/25/94/1205862594.db2.gz POEFFZAILHGEML-JALIKCBVSA-N 0 3 377.514 0.746 20 0 GCADHN CN(C)CCN(C(=O)[C@@H]1C[C@@H]1C(N)=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001182383732 1205866943 /nfs/dbraw/zinc/86/69/43/1205866943.db2.gz ZKPVESPGVUJTSI-QLFBSQMISA-N 0 3 382.505 0.898 20 0 GCADHN Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)cc2)o1 ZINC000774254778 1205867365 /nfs/dbraw/zinc/86/73/65/1205867365.db2.gz UOSOBDHKIBMIDV-HOTGVXAUSA-N 0 3 385.424 0.963 20 0 GCADHN NC[C@H](NC(=O)[C@H]1C[C@@H]1C(N)=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001182393967 1205868351 /nfs/dbraw/zinc/86/83/51/1205868351.db2.gz XXTLWLFHWOOWCJ-LNLFQRSKSA-N 0 3 393.443 0.907 20 0 GCADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC3CN(C(=O)OC)C3)cc2)CC1 ZINC000774478699 1205874180 /nfs/dbraw/zinc/87/41/80/1205874180.db2.gz ZBOUZGPKHZKBLX-UHFFFAOYSA-N 0 3 389.456 0.334 20 0 GCADHN CNC(=O)CN1CCCC12CCN(C(=O)[C@H](O)c1ccc3c(c1)CCO3)CC2 ZINC001182657470 1205878439 /nfs/dbraw/zinc/87/84/39/1205878439.db2.gz QFKLWJXBZRIIOM-LJQANCHMSA-N 0 3 387.480 0.858 20 0 GCADHN CS(=O)(=O)N1CC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001183024149 1205886365 /nfs/dbraw/zinc/88/63/65/1205886365.db2.gz NSJGKNWZRHSOGJ-UHFFFAOYSA-N 0 3 379.526 0.949 20 0 GCADHN CN(C[C@H](O)CO)C(=O)C1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183130804 1205887001 /nfs/dbraw/zinc/88/70/01/1205887001.db2.gz ACWYWHWDXMIOQU-HOTGVXAUSA-N 0 3 385.505 0.519 20 0 GCADHN CC(C)[C@H](C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1)N(C)C ZINC001183363595 1205891331 /nfs/dbraw/zinc/89/13/31/1205891331.db2.gz XCKUTUXODZPJBP-IAGOWNOFSA-N 0 3 381.517 0.829 20 0 GCADHN O=C(CNC(=O)[C@@H](O)Cc1ccc(O)cc1)N1CCN(C2CCCCC2)CC1 ZINC001183905203 1205901989 /nfs/dbraw/zinc/90/19/89/1205901989.db2.gz AENXUZZVBHUZSY-IBGZPJMESA-N 0 3 389.496 0.889 20 0 GCADHN COCC[C@H](CN1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)NC(=O)OC(C)(C)C ZINC001184055210 1205904727 /nfs/dbraw/zinc/90/47/27/1205904727.db2.gz LILFIYWVBMMWLE-HZSPNIEDSA-N 0 3 379.523 0.773 20 0 GCADHN CCCCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001184408973 1205909624 /nfs/dbraw/zinc/90/96/24/1205909624.db2.gz UUVAALCPUBKHQW-QSJFSLAZSA-N 0 3 380.489 0.618 20 0 GCADHN CC(C)OCCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001184432948 1205910530 /nfs/dbraw/zinc/91/05/30/1205910530.db2.gz BIKLUMQOFFJZRS-PITCONLNSA-N 0 3 379.501 0.532 20 0 GCADHN Cc1nc(I)oc1C(=O)N1CCOC[C@@H]1CN(C)C ZINC001184647902 1205912660 /nfs/dbraw/zinc/91/26/60/1205912660.db2.gz YQNKNRIYMZODTO-VIFPVBQESA-N 0 3 379.198 0.990 20 0 GCADHN C[C@@H]1C[C@@H]1c1ncc(C(=O)n2ccc(=NCCN3CCOCC3)c(N)c2)cn1 ZINC001185114263 1205917116 /nfs/dbraw/zinc/91/71/16/1205917116.db2.gz GBLYMEHYWTWNKD-ZBFHGGJFSA-N 0 3 382.468 0.905 20 0 GCADHN CC(C)(CNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1)N1CCCCC1 ZINC000774891686 1205922857 /nfs/dbraw/zinc/92/28/57/1205922857.db2.gz XDTOAZZKSWQVIN-OAHLLOKOSA-N 0 3 383.489 0.405 20 0 GCADHN NC(=O)[C@H]1CCC[N@H+](CCC[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC001186277071 1205937111 /nfs/dbraw/zinc/93/71/11/1205937111.db2.gz AXGZEJZLLBQDLB-VIFPVBQESA-N 0 3 383.396 0.294 20 0 GCADHN NC(=O)[C@H]1CCC[N@@H+](CCC[N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC001186277071 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